smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1ccc(S(=O)(=O)N(c2ccc3[nH]cnc3c2)S(=O)(=O)c2ccc(C)cc2)cc1 729696 VQMKGOVHSMKNQR-UHFFFAOYSA-N 441.534 3.764 0 40 IHAB CC1=C(C(=O)OCC(F)(F)C(F)(F)F)[C@H](c2ccccc2Br)NC(=O)N1 863155 OQXWAEMCGAXMOH-NSHDSACASA-N 443.166 3.818 0 40 IHAB COc1ccc(NC(=O)CN2CC[C@]3(O)CCCC[C@@H]3[C@H]2c2ccc(O)c(OC)c2)cc1 2107436 SNTJTEVKGUJQCL-NIJXNBFTSA-N 440.540 3.716 0 40 IHAB biogenic COC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccco2)cc1 2395973 KQLRHFCPRHQTHO-UHFFFAOYSA-N 438.465 3.697 0 40 IHAB CCOC(=O)c1cccc(OCc2c(Br)c(=O)n(-c3ccccc3)n2C)c1 2549668 GYDWQXYUEKYILN-UHFFFAOYSA-N 431.286 3.694 0 40 IHAB Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)N4CCN5CCC[C@H]5C4)c3N2)cc1 2755790 GQFMRZHRGJJHOH-YTQUADARSA-N 433.478 3.772 0 40 IHAB COc1cccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCN(C)C)c1 2890317 BBNCOTQGFCEEIL-FQEVSTJZSA-N 426.900 3.952 0 40 IHAB C[C@@H](CCc1ccccc1)NC(=O)CCCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3 2974447 NPOYCMXBSRHDQA-HNNXBMFYSA-N 439.537 3.705 0 40 IHAB CCn1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1cc(Cl)ccc1C 6878328 TYAOCEIKWOQKJD-UHFFFAOYSA-N 433.921 3.514 0 40 IHAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)c1 8692852 MXJYBHVYFCOGNA-UHFFFAOYSA-N 426.542 3.772 0 40 IHAB CC(=O)[C@@H]1[C@@H](C(=O)c2cccnc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(C)ccc3N12 8917940 ANRJFYLDQNRFFC-KALPRAJFSA-N 449.510 3.952 0 40 IHAB biogenic COc1ccc2c(c1OC)C(=O)N1[C@H]2SC(C)(C)[C@H]1C(=O)NCc1ccc(C)cc1 8952661 SJPNLIGUORLXEH-KNQAVFIVSA-N 426.538 3.677 0 40 IHAB biogenic COC(=O)c1cc(OC)c(OC)cc1NC(=O)C1CCN(Cc2ccc(C)cc2)CC1 9063180 BSZZGDPCFDJUBA-UHFFFAOYSA-N 426.513 3.650 0 40 IHAB CCOc1ccc(N2C(=O)[C@]3(Cc4c(ccc5ccccc45)N(C)C3)C(=O)N=C2O)cc1 9087130 SWAIESJMPIEHQP-VWLOTQADSA-N 429.476 3.705 0 40 IHAB CCOC(=O)C1=C(CN2CCc3ccccc32)NC(=O)N[C@@H]1c1ccccc1OC(F)F 9221150 WDCLGLYUQWTYBO-HXUWFJFHSA-N 443.450 3.522 0 40 IHAB O=C(Cn1nnnc1-c1ccc(Br)cc1)Nc1nc(-c2ccccc2)cs1 9224914 SNLYWFILZLZNBX-UHFFFAOYSA-N 441.314 3.865 0 40 IHAB COc1ccc(-n2nc3c(c2NC(=O)c2ccccc2C(F)(F)F)C[S@](=O)C3)cc1 9413622 MXLJYMOUAYVEJG-SSEXGKCCSA-N 435.427 3.914 0 40 IHAB CC(C)CCn1c(SCC(=O)NC(=O)NC(C)(C)C)nc2cc(Cl)ccc2c1=O 9466517 DUSFXIMEYYKAIE-UHFFFAOYSA-N 438.981 3.812 0 40 IHAB COc1cc(OC)cc(C(=O)Nc2nc(CC(=O)Nc3ccc(N(C)C)cc3)cs2)c1 9573731 YNFMBSHOCGEZTN-UHFFFAOYSA-N 440.525 3.660 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H](c3ccc(Cl)cc3)C3CC3)CC2)cc1 9757777 XGJKRSZQAWOYRH-OAQYLSRUSA-N 447.988 3.816 0 40 IHAB O=C(c1ccc(S(=O)(=O)NCc2ccco2)cc1)N1CCC(Cc2ccccc2)CC1 9767665 CBYKGZADSAMCOF-UHFFFAOYSA-N 438.549 3.853 0 40 IHAB Cc1ccc(CNC(=O)COc2ccc(S(=O)(=O)N[C@@H](C)c3ccccc3)cc2)cc1 9805349 NVFZULUAGGZWOF-IBGZPJMESA-N 438.549 3.730 0 40 IHAB COc1ccc(S(=O)(=O)Nc2nc(CC(=O)Nc3ccc(C)c(F)c3)cs2)cc1 9828663 GXAHRSYKNSIUIL-UHFFFAOYSA-N 435.502 3.581 0 40 IHAB COC(=O)Cc1c(C)c2ccc(OCC(=O)Nc3cc(Cl)ccc3C)cc2oc1=O 11866771 QLEJCKJAWSYWRH-UHFFFAOYSA-N 429.856 3.796 0 40 IHAB COC(=O)c1c(NC(=O)c2nn(-c3ccc(Cl)cc3)ccc2=O)sc2c1CCCC2 11914380 BZKHJWFZPXZRTF-UHFFFAOYSA-N 443.912 3.865 0 40 IHAB COC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@@H]1c1ccccc1Cl 12741264 HBRVSSBHABJUHP-LJQANCHMSA-N 430.913 3.994 0 40 IHAB O=C(CSc1nnnn1C[C@@H]1CCCO1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 12789424 KGNVUPPQUCVTDI-ICSRJNTNSA-N 443.960 3.503 0 40 IHAB CCOC(=O)c1sc(NC(=O)CN2CCC(C(=O)c3ccc(OC)cc3)CC2)cc1C 12864803 RHWMBILLADASEJ-UHFFFAOYSA-N 444.553 3.775 0 40 IHAB O=C(Nc1cccc(Cl)c1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 12938621 JMISVXLJSFGGGF-UHFFFAOYSA-N 449.743 3.920 0 40 IHAB CC1(C)Cc2cccc(OCC(=O)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c2O1 13028061 HULJCXRFZYZYAF-UHFFFAOYSA-N 435.446 3.542 0 40 IHAB COCc1nn2c3c(nnc2c1-c1ccccc1)C(=O)C[C@@H](c1ccc(OC)c(OC)c1)C3 13639355 CTGRSTZXFSMFMV-KRWDZBQOSA-N 444.491 3.868 0 40 IHAB CCCn1nc(C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)ccc1=O 14251790 VDSYGLLMTXGWIH-UHFFFAOYSA-N 433.331 3.715 0 40 IHAB COc1cccc(CNC(=O)Cc2csc(NC(=O)Nc3ccccc3OC)n2)c1 16047538 JOKSGVHCUOIMIT-UHFFFAOYSA-N 426.498 3.663 0 40 IHAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C)c(Cl)c2)cc1Cl 16692619 ONHULKGAWNDWDN-UHFFFAOYSA-N 431.341 3.960 0 40 IHAB COc1ccc2nc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3cccs3)sc2c1 16960230 KBPSOOMHEAUVEQ-CQSZACIVSA-N 437.568 3.548 0 40 IHAB CCC(=O)N1CCN(c2ccc(NC(=O)COc3ccc(CC)cc3)cc2Cl)CC1 17096713 JVYJZDGAJFHMBC-UHFFFAOYSA-N 429.948 3.979 0 40 IHAB CC1(C)Oc2ccc(C(=O)c3cccs3)cc2N(CC(=O)NCc2ccccc2)C1=O 19460258 FPENEHRNGMPOTP-UHFFFAOYSA-N 434.517 3.800 0 40 IHAB CN1CCN(C(=O)Cc2cccnc2)C[C@H](Cc2ccccc2-c2cccc(F)c2)C1=O 19589588 ONWKFIORQMHJJA-QFIPXVFZSA-N 431.511 3.590 0 40 IHAB CNC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)CCn2cccn2)C1 19591098 DMHMLQZYKRFACH-XMMPIXPASA-N 436.581 3.599 0 40 IHAB Cc1nonc1CC(=O)N1CCC[C@@H](c2nc(N(C)C)ncc2-c2cccc(Cl)c2)C1 19693908 GKPPNTZNBCRHPV-MRXNPFEDSA-N 440.935 3.503 0 40 IHAB Cc1nc([C@@H]2CCCN2C(=O)CCCOc2cccc(F)c2)ncc1C(=O)N1CCCC1 19755974 AAMPQDNPFKSFNP-NRFANRHFSA-N 440.519 3.683 0 40 IHAB COc1ccccc1CNC(=O)c1cncnc1CC1CCN(C(=O)[C@H]2CC=CCC2)CC1 19756789 CYQMEJYKPCILQV-FQEVSTJZSA-N 448.567 3.553 0 40 IHAB COCCNC(=O)c1cc([C@@H]2CCN(C(=O)c3cc4ccccc4o3)C2)nc2ccccc12 19756940 VJOFERLCQDVTFK-GOSISDBHSA-N 443.503 3.987 0 40 IHAB COc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)C(F)(F)F)CC3)cc2)cc1Cl 20528500 ZQKNMYUWUGGEGM-UHFFFAOYSA-N 441.837 3.812 0 40 IHAB CCOC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cn(C)c3ccccc23)CC1 23178083 JIVVYNWCBOOECX-JOCHJYFZSA-N 439.943 3.894 0 40 IHAB COc1cc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)ccc1Cl 24610036 HIGVGGMVPIVEHM-UHFFFAOYSA-N 440.924 3.668 0 40 IHAB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccccc1S(=O)(=O)N1CCOCC1 24650142 KOTCLIURGQFQIQ-UHFFFAOYSA-N 434.517 3.531 0 40 IHAB Cc1cc2oc(=O)cc(CN3CCN(S(=O)(=O)c4ccccc4)CC3)c2cc1C(C)C 25266471 CNHUJSMNTJQKII-UHFFFAOYSA-N 440.565 3.731 0 40 IHAB CCc1ccc(-c2nc(CC(=O)N(Cc3ccco3)[C@H]3CCS(=O)(=O)C3)cs2)cc1 25818248 NNKZCZJDALTXNG-IBGZPJMESA-N 444.578 3.724 0 40 IHAB O=C(NC[C@@H](c1cccs1)N1CCCC1)c1ccccc1I 27604423 UGPCAXBQLYXFFO-HNNXBMFYSA-N 426.323 3.920 0 40 IHAB O=C(NCC(F)(F)F)C1CCN(Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1 27781942 BXPZYBOGHMDZNH-UHFFFAOYSA-N 436.356 3.646 0 40 IHAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)CCCNC(=O)C12CC3CC(CC(C3)C1)C2 32778079 GICCRKIJCXXHMV-UHFFFAOYSA-N 434.584 3.944 0 40 IHAB Cc1ccc([C@H](NC(=O)CSc2nc(C)c(CC(N)=O)s2)c2cccs2)cc1 32871366 TVHBHVQGPORAOB-IBGZPJMESA-N 431.608 3.847 0 40 IHAB O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCC(C(=O)N2CCCCC2)CC1 32988089 LZHXRIYWHGALBO-UHFFFAOYSA-N 443.551 3.799 0 40 IHAB COc1ccccc1-n1c(SCC(=O)Nc2nc(C)cs2)nnc1-c1cccnc1 35289320 ZZKATQODCAQQTE-UHFFFAOYSA-N 438.538 3.834 0 40 IHAB CCOC(=O)CC1=CC(=O)N(CC(=O)NCCC2=CCCCC2)c2cc(C)c(C)cc2N1 35480642 JKEFUMRTJMFHJM-UHFFFAOYSA-N 439.556 3.906 0 40 IHAB Cc1cc(Cl)c2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc(C)c3C)C(=O)[C@@H]2[C@H]2CCCN21 35851828 DATLZRAUYJOGKE-MVOHMCPASA-N 449.938 3.696 0 40 IHAB CCOc1ccc(NC(=O)CN(C)C(=O)c2oc3c(c2C)C(=O)CCC3)cc1OCC 40129718 VNIPDIMEXXICLO-UHFFFAOYSA-N 428.485 3.615 0 40 IHAB Cc1nn2c(ncc3c(=O)n(NC(=O)c4ccc(F)cc4)ccc32)c1-c1ccc(F)cc1 40397036 MXIWPFNLVCWMDP-UHFFFAOYSA-N 431.402 3.682 0 40 IHAB O=C1C[C@H](C(=O)Nc2ccccc2Cl)c2c(nc(Nc3ccc(Cl)cc3)[nH]c2=O)N1 40399208 FHIWVNCZLQGCPD-LBPRGKRZSA-N 444.278 3.885 0 40 IHAB CC(C)C[C@H](NC(=O)[C@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O)c1ccccc1 44885463 NKEQHCKTFJTVIQ-PXNSSMCTSA-N 446.569 3.516 0 40 IHAB CCc1cc2oc(=O)cc(COC(=O)c3ccc(N4CCOCC4)nc3)c2cc1Cl 45731810 PBWAVXLORYKSEJ-UHFFFAOYSA-N 428.872 3.597 0 40 IHAB COc1ccccc1C(=O)NC1CCN(C(=O)c2cc(-c3ccc(C)cc3C)n[nH]2)CC1 49406673 PNSVMINHRXTWPQ-UHFFFAOYSA-N 432.524 3.737 0 40 IHAB CCOc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccc4c(c3)OCO4)no2)cc1 57487035 GTEJLNYHHGTQDO-UHFFFAOYSA-N 432.436 3.971 0 40 IHAB Fc1cccc(-c2noc([C@@H]3CCCN(c4ccc5nnc(C(F)(F)F)n5n4)C3)n2)c1 58159708 MRGVDZKGFOEGIZ-GFCCVEGCSA-N 433.369 3.716 0 40 IHAB CC(C)(C)NC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 60017314 UFLWHFWGETXICL-UHFFFAOYSA-N 443.569 3.642 0 40 IHAB C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)c1ccc(S(C)(=O)=O)cc1S(C)(=O)=O 78988810 HRMFKHOGRJSIJK-ZIAGYGMSSA-N 429.991 3.775 0 40 IHAB COc1ccc([C@H]2CCCN2C(=O)c2cnn(CCO[C@H]3CCCCO3)c2C)c(OC)c1 89544817 UCWZLBUGXZPSKF-GGAORHGYSA-N 443.544 3.729 0 40 IHAB CCOC(=O)c1c(NC(=O)CSc2nnc(N)s2)sc2c1CC[C@H](CC)C2 95481989 KFUSJSXBEYCNFV-VIFPVBQESA-N 426.589 3.604 0 40 IHAB COc1ccc(CN(C)C(=O)[C@@H](C)N(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 220424795 IEUWGXRJWDSGGU-CYBMUJFWSA-N 445.368 3.815 0 40 IHAB COc1ccc(S(=O)(=O)NCCCNc2ccnc3cc(Cl)ccc23)cc1OC 222978893 KBFRQAUBOXXIOI-UHFFFAOYSA-N 435.933 3.686 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(-c4cccc(F)c4)[nH]n3)CC2)cc1 223041923 ARAVMNDEMOYWOL-UHFFFAOYSA-N 442.516 3.564 0 40 IHAB CCOc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1COc1ccc(Cl)c(C)c1 224546693 USPWEEIUMVRVBM-UHFFFAOYSA-N 430.932 3.964 0 40 IHAB CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(C)cc1 224908062 HICXQGKQMLLQRQ-HSZRJFAPSA-N 426.557 3.962 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(C)c2ccccc2)Cc2ccccc2)cc1 226064820 RHLYBFOHXFWAHW-UHFFFAOYSA-N 438.549 3.939 0 40 IHAB Cc1ccc2nc(O)c([C@@H](c3nnnn3C3CCCCC3)N3CCN4CCC[C@H]4C3)cc2c1 253499119 PDTZOUQQAWYXDX-REWPJTCUSA-N 447.587 3.610 0 40 IHAB COc1cccc(CN2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccsc2)C3=O)c1 306123586 AQXFDUSELITRMN-UKILVPOCSA-N 449.576 3.549 0 40 IHAB O=C1N(Cc2ccccc2)CCO[C@@]12CN(Cc1cccc(F)c1)C[C@H]2c1cccnc1 306143524 YEPMFWPJJIPTDD-AZGAKELHSA-N 431.511 3.618 0 40 IHAB COCCN1C(=O)S/C(=C/c2ccc(OCc3cccc(C(=O)O)c3)c(OC)c2)C1=O 409130777 NGSBUGLZOASSOW-XDHOZWIPSA-N 443.477 3.655 0 40 IHAB COCCN1C(=O)S/C(=C/c2cn(CC(=O)Nc3ccccc3)c3ccccc23)C1=O 409147959 XFNDTSSBMLYYEZ-DEDYPNTBSA-N 435.505 3.963 0 40 IHAB CCCNC(=O)CN1C(=O)S/C(=C\c2ccc(OCc3cccc(F)c3)cc2)C1=O 409215157 XNOIRYQKLPGLIQ-UNOMPAQXSA-N 428.485 3.967 0 40 IHAB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Br)cs2)C1=O 409246589 JFGHZGGXALUZND-OVCLIPMQSA-N 434.315 3.604 0 40 IHAB COc1cc(/C=C\C(N)=O)cc(I)c1OCc1ccccc1F 409416239 NTXYYJHLGCDSAP-SREVYHEPSA-N 427.213 3.516 0 40 IHAB COc1ccccc1/C=C/C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1 814814 KFLUGBPCONVASX-MDWZMJQESA-N 438.509 3.555 0 40 IHAB Cc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)S(=O)(=O)c3ccc(F)cc3)cc2c1 883380 YZCUVRHEXVNSDR-UHFFFAOYSA-N 437.496 3.762 0 40 IHAB COc1ccc([C@H]2CC(=O)c3cnc(NC(=O)c4ccccc4OC)nc3C2)c(OC)c1 2222365 FYQTYHZBDUIZJY-CQSZACIVSA-N 433.464 3.667 0 40 IHAB CCOc1ccc(NC(=O)CN(C)CC(=O)Nc2cccc(Cl)c2C)cc1OCC 2649712 APHLVKFOANNNDN-UHFFFAOYSA-N 433.936 3.955 0 40 IHAB COc1cc(-c2nnc(SCC(=O)N(C)Cc3ccccc3)o2)cc(OC)c1OC 3360019 YHPZTCIZVISUNP-UHFFFAOYSA-N 429.498 3.513 0 40 IHAB Cc1cccc2cc([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CCCCCC3)c(=O)[nH]c12 6443806 LEGUGDACYUFYSU-QHCPKHFHSA-N 446.530 3.976 0 40 IHAB CCN(CC)CCCNc1nc2cc(OC)c(OC)cc2c2nc(-c3cccnc3)nn12 8680395 XYOKHOQUHXTSPQ-UHFFFAOYSA-N 435.532 3.501 0 40 IHAB Cc1ccc(-c2nnc(SCC(=O)N(C)[C@@H](C)c3nc4ccccc4s3)n2N)cc1 9056257 VYUBUNOMDWZXNI-AWEZNQCLSA-N 438.582 3.889 0 40 IHAB COc1ccc2cc(/C=C/C(=O)OCC(=O)N[C@H](Cc3ccccc3)C(C)=O)ccc2c1 9219078 AAGFBQFMYFHJNS-GPOLZQFCSA-N 431.488 3.721 0 40 IHAB CCOc1cc(C)ccc1OCc1nnc(SCC(=O)Nc2nc(C)c(C)s2)n1C 9302387 ADFGSGZNLOMWHG-UHFFFAOYSA-N 447.586 3.905 0 40 IHAB Cc1ccc(N[C@H](C(=O)N(C)C)c2ccccc2)cc1S(=O)(=O)N1CCCCCC1 9339206 RVMCUDXLESTZCT-QFIPXVFZSA-N 429.586 3.801 0 40 IHAB COc1cccc(N2C(SCc3c(F)cccc3Cl)=N[C@@H]3CS(=O)(=O)C[C@@H]32)c1 9341361 VOROGHWVVWMFEX-MSOLQXFVSA-N 440.949 3.763 0 40 IHAB CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@@]2(S1)SC(C(=O)OCC)=C(C)N2C 9430978 OGLBNNQYUPLBEW-GOSISDBHSA-N 441.962 3.854 0 40 IHAB C[C@@H](NC(=O)COc1ccc(C(=O)c2ccccc2)cc1)c1ccc(-n2cncn2)cc1 9576780 VHLPDVWELHYNQE-GOSISDBHSA-N 426.476 3.755 0 40 IHAB C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)C1=O 9602518 ZUMXEDNOIQXZHY-BKMJKUGQSA-N 427.504 3.801 0 40 IHAB Cc1ccc(OCc2nnc(SCC(=O)Nc3cc(Cl)ccc3F)n2N)c(C)c1 9645759 VHABGRKDVHJLSG-UHFFFAOYSA-N 435.912 3.711 0 40 IHAB COc1ccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)[C@H](c3cccc(F)c3)C2)cc1 9971279 IEABBDXAWQVRDL-QFIPXVFZSA-N 425.485 3.837 0 40 IHAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)C1=Cc2cc(Br)ccc2OC1 10996127 KAGNOJVEKCZNTK-UHFFFAOYSA-N 429.314 3.939 0 40 IHAB CCOc1ccccc1N1C[C@@H](C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)CC1=O 11141245 HNYSCOSZMXAPHJ-HNNXBMFYSA-N 441.915 3.857 0 40 IHAB COC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)CSc1nnnn1C1CC1 11277444 FWXAZUUZOZOHOR-UHFFFAOYSA-N 449.945 3.907 0 40 IHAB CCOc1ccc2nc(NS(=O)(=O)c3cc(NC(C)=O)ccc3OCC)sc2c1 11615701 UQEXDZATLLSGRP-UHFFFAOYSA-N 435.527 3.853 0 40 IHAB O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1cccnc1)N1CCc2ccccc21 11696055 INLQYLVXKDCKIT-UHFFFAOYSA-N 441.940 3.515 0 40 IHAB O=c1c(-c2ccc(Cl)cc2)coc2c3c(ccc12)OCN(CCCN1CCOCC1)C3 12442659 CWTVZCZMTNDYLG-UHFFFAOYSA-N 440.927 3.988 0 40 IHAB biogenic COc1ccc(NC(=O)C2CC2)cc1S(=O)(=O)Nc1ccc(Br)cc1 12526032 GYQLWCCWADVCAE-UHFFFAOYSA-N 425.304 3.607 0 40 IHAB C[C@@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)c1ccc2c(c1)NC(=O)CO2 12741688 OJBPULLJLAMBBH-GFCCVEGCSA-N 440.550 3.960 0 40 IHAB CN(C(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)C1CCCCC1 12753456 LZKZFMOUJIUFHG-UHFFFAOYSA-N 430.526 3.663 0 40 IHAB Cc1ccc(OCc2nc(C(=O)Nc3ccc(S(=O)(=O)N(C)C)cc3)cs2)cc1 12777943 NBOZSRPSBBGHQV-UHFFFAOYSA-N 431.539 3.533 0 40 IHAB COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)Cc2ccco2)cc1 12779648 JFCAHBWIWFDPSQ-UHFFFAOYSA-N 440.521 3.572 0 40 IHAB COCCn1c(S[C@@H](C)C(=O)Nc2cccc(OC)c2)nc2sc(C)c(C)c2c1=O 12800456 XMNNJGQDWMGMHC-AWEZNQCLSA-N 447.582 3.849 0 40 IHAB c1ccc(-c2cc3c(NCCCN4CCN(c5ncccn5)CC4)ncnc3s2)cc1 12813703 IWLCWLGPUQOJGQ-UHFFFAOYSA-N 431.569 3.773 0 40 IHAB CCN(Cc1cccc(F)c1)C(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 12814015 LRCBFMWIOXPZLE-UHFFFAOYSA-N 433.549 3.732 0 40 IHAB Cc1ccc(-c2csc3ncn(Cc4cccc(S(=O)(=O)N(C)C)c4)c(=O)c23)cc1 13028835 MVAXNEJYTLJDSK-UHFFFAOYSA-N 439.562 3.732 0 40 IHAB CC[C@@H](c1nnnn1C(C)(C)CC)N(CCCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O 13064687 UHYTWNATQRIWMK-NRFANRHFSA-N 440.592 3.612 0 40 IHAB O=C(COC(=O)CCCSc1nc2ccccc2s1)NC(=O)Cc1ccccc1 13135084 WRWBJCAMIDAZLN-UHFFFAOYSA-N 428.535 3.597 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)c1ccc(OC)c(OC)c1 13138154 GLBYBSLFEWGSGO-UHFFFAOYSA-N 448.541 3.529 0 40 IHAB O=C1[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1nn(Cc2ccc(Cl)cc2Cl)cc1Cl 13960218 AYJQHBAMAZERGP-XGUBFFRZSA-N 426.687 3.558 0 40 IHAB COC[C@@H](Cc1cc(OC)c2c(c1)OCO2)[C@H](COC)Cc1ccc(OC)c(OC)c1 15272052 RCFGIEPQSDGMJJ-RBUKOAKNSA-N 432.513 3.752 0 40 IHAB biogenic,in-vitro C[C@H](OC(=O)c1ccc(C2SCCS2)cc1)C(=O)N1CC(=O)Nc2ccccc21 16833133 JSXAMQRJJDYUKA-ZDUSSCGKSA-N 428.535 3.696 0 40 IHAB COc1ccc(OC[C@@H](O)Cn2c([C@H]3CC(=O)N(C(C)(C)C)C3)nc3ccccc32)cc1 16903068 JDNPASRPBICMKE-ROUUACIJSA-N 437.540 3.599 0 40 IHAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N3CCN(Cc4ccccc4)CC3)c2)c1 17357965 GYBWWXLRIYVZFU-UHFFFAOYSA-N 449.576 3.754 0 40 IHAB O=C(C[C@H]1CCCCO1)N1CCCC[C@H]1c1nc(O)c2c(n1)CN(C1CCCCC1)CC2 19014874 WXPNYVUTICKDGZ-KNQAVFIVSA-N 442.604 3.886 0 40 IHAB COc1ccc(-c2nnc([C@@H](C)OC(=O)c3ccccc3SCC(=O)N(C)C)o2)cc1 19354237 NGZCIWMFMHAFJZ-CQSZACIVSA-N 441.509 3.844 0 40 IHAB CCc1cc(C(=O)NCc2ccc(-c3nc(N(C)C)ncc3-c3onc(C)c3C)cc2)no1 19522684 WGLQFBAADXFKRT-UHFFFAOYSA-N 446.511 3.962 0 40 IHAB CCN(CC)C(=O)CN1CCC(Oc2ncnc3c2c(C)c(C)n3Cc2ccccc2)CC1 19526218 OTVFYTKKKNRHSC-UHFFFAOYSA-N 449.599 3.808 0 40 IHAB COC(C)(C)C(=O)N1CCC(c2nc(C)c3c(n2)N(CC2CCCCC2)C(=O)CC3)CC1 19739320 BZMZOLHMZPAJNU-UHFFFAOYSA-N 442.604 3.776 0 40 IHAB Cc1nc(CC(=O)N2CC[C@H](c3cc(C(=O)NCC(C)C)c4ccccc4n3)C2)cs1 19762719 DKGLWOWQJHGYIT-KRWDZBQOSA-N 436.581 3.944 0 40 IHAB COc1ccccc1N(CC(=O)N(C)Cc1ccc(C)cc1)S(=O)(=O)c1ccccc1 20456761 CBFVRFHYAQAQHR-UHFFFAOYSA-N 438.549 3.858 0 40 IHAB O=C(c1ccc(I)cc1)N1CCN(C/C=C/c2ccccc2)CC1 21601402 UMQYCTPZEGECDE-QPJJXVBHSA-N 432.305 3.762 0 40 IHAB Cc1ccc(N(CC(=O)NCCCc2ccccc2Cl)S(C)(=O)=O)cc1Cl 22337549 VAHMIZHTJZXOJU-UHFFFAOYSA-N 429.369 3.817 0 40 IHAB O=C1C[C@@H](C(=O)N(Cc2c(F)cccc2Cl)C2CC2)CN1c1ccc2c(c1)OCO2 24749743 LFYMXTOVMCXIIB-CYBMUJFWSA-N 430.863 3.752 0 40 IHAB COc1ccc(-c2nc(NC(=O)[C@H](C)NS(=O)(=O)c3ccccc3F)sc2C)cc1 24834170 QTKKVFANPDQFLV-LBPRGKRZSA-N 449.529 3.572 0 40 IHAB CCOc1cccc2cc([C@@H](C)NS(=O)(=O)c3ccc(OC)c(NC(C)=O)c3)oc12 24990045 CWRAWTSHMSRZGC-CYBMUJFWSA-N 432.498 3.838 0 40 IHAB COc1ccc(Nc2nc(Nc3ccc(C)c(C)c3)nc(N3CCOCC3)n2)cc1OC 27546368 JDQCSGXKYOKQSF-UHFFFAOYSA-N 436.516 3.829 0 40 IHAB O=C(CSc1nnc(N2CCCCC2)n1-c1ccccc1)N[C@@H]1CCOc2ccccc21 27922615 JRYBXDAVLQWQJL-HXUWFJFHSA-N 449.580 3.990 0 40 IHAB COc1ccccc1OC[C@H](O)Cn1c([C@@H]2CC(=O)N(C(C)(C)C)C2)nc2ccccc21 31903683 SUMCGQVPDFNNRY-QZTJIDSGSA-N 437.540 3.599 0 40 IHAB O=C(COc1ccc(Br)cc1)Nc1nc2ccc(N3CCOCC3)cc2s1 32127165 HXJNWTYKVBFJCJ-UHFFFAOYSA-N 448.342 3.913 0 40 IHAB O[C@H](COc1ccc(F)cc1)CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1 32750946 IQNVDRGEQJZQLY-WBVHZDCISA-N 435.546 3.857 0 40 IHAB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)N1CCCC1 32751980 AZXCDQOATHWSPS-SFQUDFHCSA-N 439.899 3.895 0 40 IHAB CCc1ccccc1NC(=O)CSc1nnc([C@@H](C)NC(=O)c2ccccc2F)n1C 35169474 KNRYNCJCQUHUKA-CQSZACIVSA-N 441.532 3.738 0 40 IHAB COc1ccc(-c2coc3cc(OCC(=O)N[C@@H](CO)c4ccccc4)ccc3c2=O)cc1 36569279 PBMMRATYJWUDEE-QHCPKHFHSA-N 445.471 3.697 0 40 IHAB biogenic CCn1ncc(-c2noc3nc(C4CC4)cc(C(=O)N[C@@H](C)CN4CCCCC4)c23)c1C 36619156 PYKBXEJMOPBSMI-HNNXBMFYSA-N 436.560 3.896 0 40 IHAB NC(=O)c1ccc(N2CCCCC2)c(NC(=O)c2ccc(I)cc2)c1 39549055 RCPXLRFRLABDLI-UHFFFAOYSA-N 449.292 3.633 0 40 IHAB CCOc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)OC)c4ccccc34)N(C)C2=S)cc1 39556426 MBMNEVRQWRGMRR-BKUYFWCQSA-N 449.532 3.817 0 40 IHAB Cc1c(Cl)cccc1NC(=O)[C@H]1CC(=O)Nc2nc(Nc3ccc(F)cc3)[nH]c(=O)c21 40399754 FRSMOPIUSOYUDJ-ZDUSSCGKSA-N 441.850 3.679 0 40 IHAB COc1ccccc1Cn1c(SCC(=O)N2CCC(C)CC2)nc2ccsc2c1=O 57425576 JCYPIVCBCVGVPU-UHFFFAOYSA-N 443.594 3.866 0 40 IHAB Cc1cc(F)ccc1-n1c(=O)c2sccc2n(CC(=O)Nc2ccc3c(c2)CCC3)c1=O 57493655 PNPXSEYPUSXUMF-UHFFFAOYSA-N 449.507 3.789 0 40 IHAB Cc1cc(-n2c(=O)c3sccc3n(CC(=O)NCCC3=CCCCC3)c2=O)ccc1F 57494319 SEODELPLXJEAPW-UHFFFAOYSA-N 441.528 3.668 0 40 IHAB COc1cccc(NC(=O)c2ccccc2NC(=O)[C@H]2CN(Cc3ccccc3)CCO2)c1 72294604 DQLXHJPKZQEOFI-XMMPIXPASA-N 445.519 3.787 0 40 IHAB COc1cc2cc(N)c([C@H]3CCCN(C(=O)[C@@H]4CCC[C@H](OC)C4)C3)nc2cc1OC 72341926 AESDUXIGKNVNSE-RYRKJORJSA-N 427.545 3.745 0 40 IHAB CN1CCN([C@@H]2c3cc(-c4ccccc4)cnc3Sc3nc(-c4cccnc4)nn32)CC1 72396300 IWERVXBIKINSCC-QHCPKHFHSA-N 441.564 3.661 0 40 IHAB Cc1cc2oc(=O)cc(CN3CCN(S(=O)(=O)c4cccc(Cl)c4)CC3)c2cc1C 89608959 UATZRRNDSRTDRA-UHFFFAOYSA-N 446.956 3.570 0 40 IHAB COc1ccc(CCNC(=O)CSCC(=O)N2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)cc1 89920278 PNLVMZQNBSNBDQ-PXNSSMCTSA-N 444.572 3.631 0 40 IHAB CC(C)c1n[nH]c(C(=O)Nc2ccncc2I)c1Br 95413742 NNCRGCYYEYZJKO-UHFFFAOYSA-N 435.063 3.548 0 40 IHAB Cc1cc(C(=O)N2CCN(c3ccccc3)C[C@@H]2C)ccc1NS(=O)(=O)C(F)(F)F 95456683 JZPBVXKMBDAYGL-HNNXBMFYSA-N 441.475 3.607 0 40 IHAB Cc1cc(C(=O)N2CCN(c3ccccc3)C[C@H]2C)ccc1NS(=O)(=O)C(F)(F)F 95456684 JZPBVXKMBDAYGL-OAHLLOKOSA-N 441.475 3.607 0 40 IHAB Cc1ccc(C)c(C(=O)COC(=O)c2ccccc2N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)c1 101233555 PHEFYHKLCLQMRK-DODAUVCRSA-N 431.488 3.879 0 40 IHAB CC1(C)C[C@H]2C[C@@](C)(CN2[C@H](C(=O)O)c2c[nH]c3ccc(NC(=O)CCC(=O)O)cc23)C1 101638709 STLBHMKQPRVJEE-OQHVVPOVSA-N 441.528 3.998 0 40 IHAB COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1OC 102734080 VARQVJBNNLKMKN-DNVJHFABSA-N 448.450 3.894 0 40 IHAB COC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1=O 108008898 NJLJDGKBDHHWIC-RQZCQDPDSA-N 435.263 3.638 0 40 IHAB COc1cc(OC)cc(OCC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC(C)(C)C)c1 222772310 BTIXSNIJXDBGSX-SFHVURJKSA-N 442.556 3.723 0 40 IHAB COc1cc(C)c([C@H](C)NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)cc1C(C)C 223354149 YNKSFPUFNVDDQU-INIZCTEOSA-N 444.553 3.539 0 40 IHAB OCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(Br)c1 223587373 XJIXQZDERDMUGH-RTBURBONSA-N 443.370 3.600 0 40 IHAB CCOc1ccc(C(=O)NCc2ccco2)cc1CN(C)S(=O)(=O)c1ccc(C)cc1 224821480 DQBMHFUKVAPRTI-UHFFFAOYSA-N 442.537 3.737 0 40 IHAB COc1ccc(N(CCCC(=O)Nc2ccc(OC(F)(F)F)cc2)S(C)(=O)=O)cc1 224891026 ZKCOWIIMDZMNHH-UHFFFAOYSA-N 446.447 3.779 0 40 IHAB COc1ccc([C@H](CC(C)C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1 225508348 JVXCIYLRDKCCRC-OFNKIYASSA-N 444.597 4.000 0 40 IHAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)COc1ccc(OC)cc1 225642555 DRAWMHNXSRTYLE-JTSKRJEESA-N 430.520 3.935 0 40 IHAB CC[C@H](NS(=O)(=O)c1nnc(NC(=O)c2cccc(C)c2)s1)c1ccc(C)cc1 225763647 ZWODJIGLVXXJNS-KRWDZBQOSA-N 430.555 3.837 0 40 IHAB COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H](C(=O)O)[C@H]2C(=O)c2ccc(F)cc2)cc1 245229049 LZNDVARHFAXPRW-HDMKZQKVSA-N 445.493 3.774 0 40 IHAB COc1ccc(Cc2cnc([C@H]3CCCN(C(=O)CN(C)Cc4ccccn4)C3)o2)cc1 257260201 LBTMTUZEMTUEEY-FQEVSTJZSA-N 434.540 3.507 0 40 IHAB CCc1nnc(Nc2cccc([C@H]3CN(C(=O)Cc4ccc(C)c(C)c4)CCO3)n2)s1 257264434 LUJGUOFBIJHZNZ-LJQANCHMSA-N 437.569 3.999 0 40 IHAB Cc1cccc(CN2CCC[C@H]2c2cc3nc(C)c(CCC(=O)NCC4CC4)c(C)n3n2)n1 257279146 OFEFAUMKSYPQBY-DEOSSOPVSA-N 446.599 3.845 0 40 IHAB CCN1C[C@@H](C(=O)NC[C@H]2CC[C@H](c3nc(C(C)C)ncc3-c3ccncc3)CC2)CC1=O 257332713 XYJAUYBIAARXDD-JBACZVJFSA-N 449.599 3.920 0 40 IHAB COc1ccc(C)cc1N([C@H](C)C(=O)N[C@@H](C)c1cc(C)c(C)cc1C)S(C)(=O)=O 260912088 AHGSWWPJRYMMDR-RBUKOAKNSA-N 432.586 3.961 0 40 IHAB CN1c2ccccc2N(C2CCN(C(=O)C3(c4cccs4)CCCC3)CC2)S1(=O)=O 390831142 PXKIKNHTCORYJM-UHFFFAOYSA-N 445.610 3.752 0 40 IHAB COCCCNC(=O)c1nc(-c2ccc(Br)cc2)n(-c2ccc(C)cc2)n1 408692949 ZAZSUGAJMUZGKK-UHFFFAOYSA-N 429.318 3.772 0 40 IHAB Cc1ccccc1C(=O)NCc1nnc(SCC(=O)Nc2ccccc2C(C)C)n1C 409062666 YRCPPMMPYURGCV-UHFFFAOYSA-N 437.569 3.908 0 40 IHAB COc1c(Cl)cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1Cl 409104173 GDRUIZPRCRPBPV-CXUHLZMHSA-N 434.279 3.842 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3ccccc3)CC2)cc1Cl 409361147 QJJJCXLBEIYQOZ-HNNXBMFYSA-N 436.961 3.627 0 40 IHAB O=C(COc1ccc2ccccc2c1)NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21 585111658 ZKHKHMXTGBVYRV-DEOSSOPVSA-N 427.504 3.894 0 40 IHAB CC(=O)N1CC2=C(C1=O)[C@@H](c1cnn(C)c1C)c1cn(CCC(C)C)c3cccc(c13)N2 604406367 RQXTYXLCICMAPH-QFIPXVFZSA-N 431.540 3.930 0 40 IHAB biogenic CNS(=O)(=O)c1ccc(CCNC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 1632237843 DESDJZVVIMMDKJ-UHFFFAOYSA-N 445.544 3.782 0 40 IHAB CCn1c(CCNC(=O)c2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(C)cc1 634008 ZDFYSHLLQBYLHA-UHFFFAOYSA-N 437.569 3.618 0 40 IHAB O=C1S[C@@H]([C@@H]2SC(=O)N(Cc3ccc(F)cc3)C2=O)C(=O)N1Cc1ccc(F)cc1 1479653 WDPATGURXYRTJM-HOTGVXAUSA-N 448.472 3.793 0 40 IHAB COc1ccc2[nH]cc(CCNC[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@@H](O)[C@@H]43)c2c1 1820055 BJRTZLZJYHGJHK-RCOXWCODSA-N 438.568 3.594 0 40 IHAB biogenic CC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccco2)cc1 2381401 VXWHOZJPTAJJBJ-UHFFFAOYSA-N 437.481 3.869 0 40 IHAB CCOC(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N(CC)CC)c2)cc1 3209542 IMAXCAARKYISKO-UHFFFAOYSA-N 438.933 3.800 0 40 IHAB O=C(COC(=O)Cc1ccc(Br)cc1)Nc1c(F)c(F)c(F)c(F)c1F 3233323 ALEMTSYRWWPXQA-UHFFFAOYSA-N 438.146 3.869 0 40 IHAB CC[C@@H]1CCCCN1C(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1CCCN(C)C 8132738 ZCHTUOKCIUXQGL-QZTJIDSGSA-N 430.618 3.620 0 40 IHAB COc1ccc(CNC(=O)CN2CCC(c3nc4ccccc4s3)CC2)cc1OC 8202282 OLXVLZVJFCFCEW-UHFFFAOYSA-N 425.554 3.809 0 40 IHAB COc1cc([C@H]2OC[C@@H]3[C@H]2CO[C@H]3c2cc(OC)c3c(c2)OCO3)cc(OC)c1OC 8655651 DHWUVPPRBIJJKS-LYDRAKHJSA-N 430.453 3.525 0 40 IHAB in-man Cc1nn(C)c(C)c1NC(=O)CSc1nc(C2CC2)nc2c1cnn2-c1ccccc1 8680590 STFJYJGXSAAKHN-UHFFFAOYSA-N 433.541 3.774 0 40 IHAB O=C(CSc1nnnn1C1CCCCC1)Nc1ccccc1C(=O)NC1CCCC1 8777060 RZTHZDCLAJYBTO-UHFFFAOYSA-N 428.562 3.582 0 40 IHAB CCCOc1ccc([C@H]2CN3C(=O)CN(C)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1OC 8788808 RBQMCSDWDAZNGM-DWXRJYCRSA-N 447.535 3.627 0 40 IHAB biogenic COc1ccc(C(=O)Nc2ccc(F)cc2F)cc1S(=O)(=O)NCc1ccccc1 9094972 ALZVVZVPMSUXTL-UHFFFAOYSA-N 432.448 3.704 0 40 IHAB COc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2ccc(C)cc2)cc1Cl 9238595 XLOQVJDZDFNLSW-ZWKOTPCHSA-N 429.933 3.955 0 40 IHAB CC(C)CCn1c(=O)c2ccccc2n2c(COC(=O)c3c(F)cccc3F)nnc12 9672451 MZVVUZZKXBHQLB-UHFFFAOYSA-N 426.423 3.726 0 40 IHAB NC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 9724809 ZZFYXKOTMIIYTD-JOCHJYFZSA-N 442.544 3.908 0 40 IHAB O=C(N[C@H](Cc1ccccc1)C(=O)NCc1ccc(NC(=O)C2CC2)cc1)c1ccccc1 10901801 RZZCLBXCZZEQNI-XMMPIXPASA-N 441.531 3.693 0 40 IHAB O=C(Nc1ccc(F)c(Cl)c1)c1cc(-c2ccccc2)n([C@H]2CCS(=O)(=O)C2)n1 11998579 MECCHYJBJHOESW-HNNXBMFYSA-N 433.892 3.955 0 40 IHAB CCOc1cc(C)ccc1OCC(=O)N1CCC[C@H](c2nc3ccccc3cc2C(N)=O)C1 12275591 DZZUDFXLVZQBHT-IBGZPJMESA-N 447.535 3.826 0 40 IHAB Cc1cccc(N2CCN(C(=O)c3ccc4c(c3)C(=O)N(C3CCCCC3)C4=O)CC2)c1 12543835 KDTRHTJZXSPHKD-UHFFFAOYSA-N 431.536 3.886 0 40 IHAB CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1 12730499 XNMFYEVXOQSZPO-UHFFFAOYSA-N 445.629 3.626 0 40 IHAB O=C(NC[C@H](c1cccs1)N1CCOCC1)c1cccc(NC(=O)c2cccs2)c1 12748317 MCCZUMDXVHZCKI-GOSISDBHSA-N 441.578 3.865 0 40 IHAB Cc1c(Cl)cccc1NC(=O)CCNS(=O)(=O)c1cccc(Br)c1 12814508 JRWVJVYJILEYRX-UHFFFAOYSA-N 431.739 3.718 0 40 IHAB CC(C)Cn1c(CCC(N)=O)nnc1S[C@@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1 12896355 VQGDKMZAXXAOLY-HNNXBMFYSA-N 431.606 3.769 0 40 IHAB O=C(c1cccc(Br)c1)N1CCN(Cc2nc(-c3cccs3)no2)CC1 12898175 DKWZMIZYVMFUJR-UHFFFAOYSA-N 433.331 3.519 0 40 IHAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CCCNC(=O)c1ccc(Cl)cc1 13007313 RFTDLLFPJSITSR-UHFFFAOYSA-N 437.874 3.615 0 40 IHAB Cc1ccccc1OCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC(C)C 13102446 PFKUUYUYIGWWDL-UHFFFAOYSA-N 446.569 3.974 0 40 IHAB CC[C@H](C)c1ccccc1NS(=O)(=O)c1sc(C(=O)OC)c(C)c1C(=O)OC 13135429 JOLIJQLVDJODFX-NSHDSACASA-N 425.528 3.944 0 40 IHAB CCCCN1C(=O)/C(=c2\sc3nc(-c4cccc(Cl)c4)nn3c2=O)c2ccccc21 13514494 CVEKCGQGGMFPIZ-ZCXUNETKSA-N 436.924 3.536 0 40 IHAB CC[C@@H](C)[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)NCCCc1ccccc1 13592034 XJIMJUWHVLWAFC-GCJKJVERSA-N 433.556 3.730 0 40 IHAB COc1ccc(N2C[C@H](c3nnc(NC(=O)c4ccc(Cl)cc4)s3)CC2=O)cc1 13944225 ILPXUJBFPZGMRR-CYBMUJFWSA-N 428.901 3.973 0 40 IHAB CCn1c(CC(=O)Nc2ccc(C)c(C)c2)nnc1SCC(=O)N[C@@H]1CCCC[C@H]1C 13955962 SCHPEJGRAJOTRP-VQIMIIECSA-N 443.617 3.883 0 40 IHAB CC(C)Cc1nnc(-c2cc3ccccc3n2CC(=O)NCc2ccc3c(c2)OCO3)o1 13961848 SAJFVQQOCJIQHO-UHFFFAOYSA-N 432.480 3.935 0 40 IHAB CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 16847798 SDNBRNNYEVKXKH-KRWDZBQOSA-N 427.551 3.840 0 40 IHAB COc1ccc(N2C(=O)C[C@@H](N3CC=C(c4ccc(Br)cc4)CC3)C2=O)cc1 18222844 HYFVDLJAYRVXMS-HXUWFJFHSA-N 441.325 3.879 0 40 IHAB Cc1ccc(C(=O)N2CCCC[C@H]2c2cc3nc4c(c(O)n3n2)CN(C(C)C)CC4)cc1 19135374 QGHHUVGOJBTJFH-QFIPXVFZSA-N 433.556 3.877 0 40 IHAB CNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CN(Cc2cccc(C)c2OC)CCO1 19235994 CKYDULYRNCTXEZ-MHZLTWQESA-N 445.563 3.625 0 40 IHAB CC(C)NC(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)Cn2cccn2)C1 19449291 MBMKJUZVZCICAS-XMMPIXPASA-N 436.581 3.598 0 40 IHAB CNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)c2snnc2C)C1 19563429 MTDZJJNEDWZGRK-QFIPXVFZSA-N 440.594 3.786 0 40 IHAB COc1cccc([C@H]2CN(C(=O)c3ccccc3)[C@@H]3CCN(C(=O)c4cscn4)C[C@H]23)c1 19566304 YPTAJRIFEZJDKH-MQSCRBSSSA-N 447.560 3.922 0 40 IHAB CNc1cc([C@@H]2CCCN(C(=O)Cc3ccc(OC)c(C)c3)C2)nc(-c2ccncc2)n1 19571098 OBFBZSVNXMECLK-HXUWFJFHSA-N 431.540 3.846 0 40 IHAB Cc1cc(C)n(C)c(=O)c1C(=O)N1CCC[C@H](c2cc(C(F)(F)F)c3c(C)noc3n2)C1 19572131 BLBBISOYMGRFIZ-AWEZNQCLSA-N 448.445 3.885 0 40 IHAB COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(NC(=O)c2ccco2)c(C)c1 19629645 GGTRZVMTUHKIFG-UHFFFAOYSA-N 439.493 3.984 0 40 IHAB Cc1nc([C@@H]2CCCCN2C(=O)CC2(O)CCCCC2)nc2c1CCC(=O)N2CC1CC1 19741239 HRFQZOBBOQESNU-FQEVSTJZSA-N 440.588 3.613 0 40 IHAB Cc1nc(N)c2c(C(F)(F)F)cc(C3CCN(C(=O)Cc4ccccc4)CC3)nc2n1 19743230 RFGQQUIRAWQMTH-UHFFFAOYSA-N 429.446 3.883 0 40 IHAB CCN(CC)C(=O)c1cnc([C@H]2CCCCN2C(=O)c2ccc3c(c2)nc(C)n3C)nc1C 19765596 MUELPLQQRGOSMN-JOCHJYFZSA-N 448.571 3.830 0 40 IHAB COCCSc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 20389735 STRVTUWLRPMMCM-UHFFFAOYSA-N 446.598 3.666 0 40 IHAB COCCCN1C(=O)c2ccc(C(=O)Nc3ncc(Cc4ccc(C)cc4)s3)cc2C1=O 21828027 XTRQBRGMWJDRKF-UHFFFAOYSA-N 449.532 3.927 0 40 IHAB O=C(CNC(=O)CC12CC3CC(CC(C3)C1)C2)NCc1ccc(OCC(F)(F)F)cc1 23510622 KGYYDEOAQVOHSR-UHFFFAOYSA-N 438.490 3.967 0 40 IHAB COc1cc(OC)c(NC(=O)c2cn(-c3ccc(Br)cc3)nn2)cc1Cl 24845419 VIPNYZFGVCQWNL-UHFFFAOYSA-N 437.681 3.953 0 40 IHAB CCOC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)CC1 24923694 URNUMYTWKNWOBV-JKSUJKDBSA-N 440.540 3.640 0 40 IHAB O=C(Cc1ccc(Cl)cc1Cl)NCc1ccc(S(=O)(=O)N2CCCC2)s1 25445515 YCTRVDSVAYLEMG-UHFFFAOYSA-N 433.382 3.698 0 40 IHAB CCS(=O)(=O)N1CCC(C(=O)Oc2c(Cl)cc(Cl)c3ccc(C)nc23)CC1 26766148 UKYLEONHYUKUCT-UHFFFAOYSA-N 431.341 3.817 0 40 IHAB CCCCCOc1ccc(S(=O)(=O)N2CCN(C(=O)OCC)CC2)c2ccccc12 28251957 IHVPHYKWQYOBQS-UHFFFAOYSA-N 434.558 3.872 0 40 IHAB Cc1cc(C)n2nc(SCC(=O)N3N=C(c4ccco4)C[C@H]3c3cccs3)nc2n1 29807808 KYNVMKHUNWTKLM-HNNXBMFYSA-N 438.538 3.866 0 40 IHAB COC(=O)CN1C(=S)N(C)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)c(Cl)c1 30828568 NWCAGZYWQBKXBW-YVLHZVERSA-N 448.903 3.631 0 40 IHAB CCn1c(SCC(=O)NC2CCCC2)nnc1[C@H](NC(=O)c1ccc(C)cc1)C(C)C 33778994 RDRLWLXQUYGFGL-HXUWFJFHSA-N 443.617 3.884 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C)N2CCC[C@H](C(F)(F)F)C2)ccc1C 35600906 GUGFCFFOYZJOAD-CVEARBPZSA-N 449.539 3.627 0 40 IHAB COc1ccc(OC)c(-n2cnc3cc(C(=O)Nc4ccccc4OC)ccc3c2=O)c1 36365261 ULNFNTXFCSWRMR-UHFFFAOYSA-N 431.448 3.664 0 40 IHAB CCOC(=O)[C@H]1CCCN([C@H](c2ccccc2F)c2sc3nc(CC)nn3c2O)C1 36370440 NLKZKYUGBOKYPW-SUMWQHHRSA-N 432.521 3.562 0 40 IHAB Cc1cc(C(=O)Nc2nc3ccccc3n2CCN2CCCCC2)c2c(C)nn(C)c2n1 36616994 LNRYTLOBCBCOTG-UHFFFAOYSA-N 431.544 3.673 0 40 IHAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1cc2ccccc2cc1OC 38752443 VMTZRXKJMZARGH-UHFFFAOYSA-N 428.510 3.796 0 40 IHAB COc1ccccc1N1CN(C[C@H]2CCCO2)Cn2c1nc(C)c(Cc1ccccc1)c2=O 38830129 HUTPZHYPEXZLSV-OAQYLSRUSA-N 446.551 3.699 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCc2ccc(Cl)cc2Cl)cc1 39986094 QOPASJNODILZSW-UHFFFAOYSA-N 445.368 3.719 0 40 IHAB C[C@H]1CN(S(=O)(=O)CCNCc2ccc(-c3ccccc3Cl)s2)C[C@H](C)O1 40153282 XIKBUJVEMHEGKR-GJZGRUSLSA-N 429.007 3.597 0 40 IHAB CC(C)C[C@@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1)c1ccccc1 44937015 VKJZJOAMSHFCHP-XLIONFOSSA-N 436.961 3.771 0 40 IHAB COc1ccccc1N1CCN(Cc2nc(-c3ccc(N4CCC[C@H](C)C4)nc3)no2)CC1 49409653 IOBHJSSKMVAZOS-IBGZPJMESA-N 448.571 3.699 0 40 IHAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N(CCC(N)=O)c3ccc(F)cc3)c12 58537708 YUJLDMUIIRYWQD-UHFFFAOYSA-N 431.471 3.605 0 40 IHAB COc1cc(C(=O)N(CN2C(=O)c3ccccc3C2=O)c2ccccc2)cc(OC)c1OC 59502357 BRTUEEJCDQYELT-UHFFFAOYSA-N 446.459 3.613 0 40 IHAB COc1cc(/C=C/C(=O)N[C@@H](C)C(=O)O)ccc1OCc1ccc(Br)cc1 62715747 ZZBZRTMDHKZOEO-PPOCWRSBSA-N 434.286 3.639 0 40 IHAB CCCCc1ccc(NC(=O)Cn2c(-c3cccc(F)c3)nc(C)c(CCO)c2=O)cc1 67316874 QJLFEIHNQQSNLM-UHFFFAOYSA-N 437.515 3.874 0 40 IHAB CCOC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@@H]1C[C@H]3O 70698544 FPDXMWHJGOCDQJ-FETCCXJJSA-N 436.633 3.927 0 40 IHAB biogenic Cc1ccc(O[C@@H](C)C(=O)N2CCC([C@@H]3C[C@H](C(F)F)n4ncnc4N3)CC2)c(C)c1 72395675 IOEUUSMRJNCNTL-RYQLBKOJSA-N 433.503 3.591 0 40 IHAB O=C(Cc1cccs1)Nc1nc(C(=O)NCc2ccc(OC(F)(F)F)cc2)co1 77196559 SKDQIMJTEYFRFM-UHFFFAOYSA-N 425.388 3.746 0 40 IHAB COc1cccc(C2=NN(C(=O)CCCC(=O)O)[C@H](c3cccc(OC)c3OC)C2)c1 89469732 AYIPHNMHRZNKKQ-IBGZPJMESA-N 426.469 3.645 0 40 IHAB COc1ccc(F)cc1S(=O)(=O)NCc1cc(-c2ccncc2)n(C2CCCC2)n1 90607151 LDPLGDSSHREUCY-UHFFFAOYSA-N 430.505 3.686 0 40 IHAB COc1ccc2c(C)c(CCC(=O)N[C@@H](C)C[C@H](O)c3ccc(F)cc3)c(=O)oc2c1 95423962 DVICZQUJNXXGCL-QKKBWIMNSA-N 427.472 3.810 0 40 IHAB O=C(C[C@H](Cn1cnnn1)c1ccc(Cl)cc1)NCCc1c[nH]c2ccc(Cl)cc12 95473353 VYCWZONODUPBET-MRXNPFEDSA-N 443.338 3.994 0 40 IHAB O=C(Cn1cc(C(F)(F)F)ccc1=O)NCc1ccc(COCc2ccccc2)cc1 95949298 LJBOCPBMQFWNFN-UHFFFAOYSA-N 430.426 3.900 0 40 IHAB O=C(NCCn1nc(-c2cccs2)n(C2CC2)c1=O)c1csc(-c2ccccc2)n1 96096610 LLLKDVLZLXKVJK-UHFFFAOYSA-N 437.550 3.662 0 40 IHAB COc1ccccc1Nc1nc(N)nc(CN2C(=O)S/C(=C/c3cccs3)C2=O)n1 96941420 XKXNNWCVIFHVPJ-NTEUORMPSA-N 440.510 3.504 0 40 IHAB Cc1cc(-c2cnc(C(C)C)nc2[C@H]2CC[C@H](CNC(=O)c3ccc(=O)n(C)c3)CC2)on1 100743848 KPFOZPIGGGWDDK-HDICACEKSA-N 449.555 3.966 0 40 IHAB COc1ccc(OC)c([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)c1 101050472 BXPASGIBSLOURW-ZRBLBEILSA-N 430.460 3.755 0 40 IHAB CCOC(=O)[C@H](C(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1)c1nc(C)cs1 103124254 INOKKCJHZGPOHE-QGZVFWFLSA-N 442.566 3.918 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCC2)c2ccc(F)cc2)cc1 113937525 GDHFAXWYFMTNQE-UHFFFAOYSA-N 434.533 3.869 0 40 IHAB O=S(=O)(O)c1ccc2c(-c3c(O)ccc4cc(S(=O)(=O)O)ccc34)c(O)ccc2c1 205481662 BJWGNOFPAINASZ-UHFFFAOYSA-N 446.458 3.565 0 40 IHAB CCOc1cccc(N(CC(=O)NCCCc2ccc(C(C)C)cc2)S(C)(=O)=O)c1 219144742 UZZPSQYKDDICES-UHFFFAOYSA-N 432.586 3.724 0 40 IHAB CC[C@@H](Oc1ccccc1C)C(=O)N(C)Cc1nc(-c2ccc(OC)cc2OC)no1 219316033 ASDXXYYZKJGAPQ-GOSISDBHSA-N 425.485 3.878 0 40 IHAB COc1ccc(OC)c(N([C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)S(C)(=O)=O)c1 220208740 OQWMMEIWTOGAOI-NSHDSACASA-N 447.340 3.804 0 40 IHAB CC[C@@H](C(=O)NCc1ccc(OC(C)C)cc1)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220579842 RMSPSVQIWNQROQ-QFIPXVFZSA-N 432.586 3.952 0 40 IHAB CC[C@H](C(=O)NCCSCc1ccco1)N(c1cc(Cl)ccc1C)S(C)(=O)=O 220714556 KSRDBJNJMLLEHD-QGZVFWFLSA-N 445.006 3.836 0 40 IHAB CS(=O)(=O)N(CCCC(=O)Nc1ccc2c(c1)OCO2)c1ccc(Cl)c(Cl)c1 222381073 RXDVRHQCLRAILW-UHFFFAOYSA-N 445.324 3.907 0 40 IHAB CC[C@@H](NC(=O)c1ccc(N(CC)S(=O)(=O)CC)cc1)c1ccc(OC)c(OC)c1 222403604 OXDJJOPDVTXRHW-LJQANCHMSA-N 434.558 3.761 0 40 IHAB C[C@@H](NC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O)c1ccc2c(c1)CCCC2 223003758 OANVRXSOQBZWGW-MRXNPFEDSA-N 434.989 3.858 0 40 IHAB CC[C@H](C(=O)NCCOc1cccc2ccccc12)N(c1cccc(C)c1)S(C)(=O)=O 223563319 VZQRJVFPVFYAKW-JOCHJYFZSA-N 440.565 3.888 0 40 IHAB CCOc1ccc(-c2noc(CNS(=O)(=O)c3ccc(OC)c(C(C)C)c3)n2)cc1 223600373 UFFXFYSGDMAMLQ-UHFFFAOYSA-N 431.514 3.746 0 40 IHAB Cc1ccc(OCCNC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3F)c2)cc1 224162997 PRMKQGZEVPQNHT-UHFFFAOYSA-N 442.512 3.768 0 40 IHAB CCN(Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1)S(=O)(=O)c1ccc(OC)cc1 224465006 LCUZMBJIMPRPGX-KKLQWCBXSA-N 442.581 3.824 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCCOc1ccccc1)c1ccc(Cl)cc1Cl 224923543 WPPKKWNZVTZHGI-UHFFFAOYSA-N 445.368 3.735 0 40 IHAB CC(C)(C)CC(C)(C)NS(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1 225109773 FRXCVRXHDGBGTQ-UHFFFAOYSA-N 430.983 3.937 0 40 IHAB COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(C)[nH]1 225677432 DHPOJGVGQQBRQC-YADHBBJMSA-N 435.553 3.728 0 40 IHAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CCc1ccc(OC)c(OC)c1 225716024 DATDRBRQPLRZNK-OAQYLSRUSA-N 426.557 3.968 0 40 IHAB C[C@H]1CCCCN1c1cc(N2CCC[C@@H](C)C2)nc(NC(=S)NCc2cccnc2)n1 225940466 PCRCNOAYMGOFDH-MSOLQXFVSA-N 439.633 3.973 0 40 IHAB O=C(N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccccc2-n2cccn2)C1)[C@H]1CCCO1 247520376 XFLDUEHBXKIJLB-SDUSCBPUSA-N 445.567 3.516 0 40 IHAB CCN1CCN(C(=O)c2ccc(COC)cc2)[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O 257221468 DPEAFIJDFTZFFM-RUZDIDTESA-N 443.547 3.811 0 40 IHAB Cc1nc2cc([C@@H]3CCCN3C[C@@H]3CC=CCC3)nn2c(O)c1CCC(=O)N1CCCC1 257271237 MXLCDTCQBNFGPR-KNQAVFIVSA-N 437.588 3.792 0 40 IHAB COc1cccc(Cc2cnc([C@@H]3CCCCN3C(=O)CN3CCCCCC3=O)o2)c1 257284106 PBGHNGPYHGJMGX-NRFANRHFSA-N 425.529 3.730 0 40 IHAB Cc1nc2cc([C@H]3CCCN3Cc3cccnc3)nn2c(C)c1CCC(=O)NCC1CC1 257288315 PTSPJLSFIVIUNR-HSZRJFAPSA-N 432.572 3.537 0 40 IHAB O=C(c1ccccc1CN1CCOCC1)N1CCOC[C@H](Cc2cccc3occc23)C1 257314357 UWPMGCKXRMGPNM-HXUWFJFHSA-N 434.536 3.596 0 40 IHAB Cc1cc(Nc2cccc(F)c2)cc([C@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)n1 257327412 XBFNOPVHIIOPPF-INIZCTEOSA-N 429.521 3.575 0 40 IHAB CC1CCN(c2cc(N3CCCC[C@@H]3C)nc(NC(=S)NC[C@H]3CCCO3)n2)CC1 260710308 GOOLMJVGLRPQTK-ZWKOTPCHSA-N 432.638 3.557 0 40 IHAB CC(C)n1nccc1[C@@H]1CN(Cc2ccoc2)C[C@]12CCCN(Cc1ccncc1)C2=O 306128712 HIWWHBRYBUISCG-WIOPSUGQSA-N 433.556 3.860 0 40 IHAB CCC1CCC(NC(=O)C(=O)Nc2ccccc2C(=O)NCc2ccc(OC)cc2)CC1 408710249 URDRFQYXQNBAEA-UHFFFAOYSA-N 437.540 3.649 0 40 IHAB O=C(Cc1ccccc1Br)N1CCC[C@@H](n2cnc3ccccc3c2=O)C1 575615842 GNSYWIGMOKHISC-MRXNPFEDSA-N 426.314 3.565 0 40 IHAB O=C(O)c1cccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 585141348 TVJPOHSEGKNADC-JVPBZIDWSA-N 425.510 3.956 0 40 IHAB CC(C)C[C@@H]1NC(=O)C2(CCCCOC[C@@H](C)NC1=O)CCN(Cc1ccccc1)CC2 643576543 QLJQFHZRSKBDGV-GGAORHGYSA-N 443.632 3.505 0 40 IHAB CCOC(=O)c1c(NC(=S)NC(=O)c2nn(C)cc2Cl)sc2c1CC[C@H](C)C2 659009 WMMNTQZWOBSPNN-VIFPVBQESA-N 440.978 3.563 0 40 IHAB COc1cccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3ccco3)c(OC)c2)c1 887742 YTIPWSKCPFQZJZ-UHFFFAOYSA-N 425.466 3.676 0 40 IHAB COc1ccc(CCN(Cc2nc3ccccc3c(=O)[nH]2)C(=O)c2ccc(OC)cc2)cc1 1359096 MYXYPTPJILDILT-UHFFFAOYSA-N 443.503 3.825 0 40 IHAB C[C@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 1368294 SICPRSODMGTJDS-CALCHBBNSA-N 428.620 3.591 0 40 IHAB CC(C)[C@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2cccc(Cl)c2)o1 2365262 YTHPSGFHTPDZEX-AWEZNQCLSA-N 429.926 3.919 0 40 IHAB CCCCNC(=O)c1c(N)n(Cc2ccc(OC)c(OC)c2)c2nc3ccccc3nc12 2422297 QCMNQESEULDZME-UHFFFAOYSA-N 433.512 3.762 0 40 IHAB Clc1ncn(C23C[C@H]4C[C@H](CC(c5nnc(-c6ccc7c(c6)OCO7)o5)(C4)C2)C3)n1 2803348 OMJQAYNWUDRGGO-GWEVUABKSA-N 425.876 3.957 0 40 IHAB O=C(NCc1ccco1)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1 3316400 YSGZZFKRJWHMHW-UHFFFAOYSA-N 435.299 3.773 0 40 IHAB O=C(Nc1nnc(SCc2ccc(F)cc2)s1)[C@H]1CC(=O)N(Cc2ccco2)C1 3346632 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COc1cccc(CCNC(=O)[C@@H]2CCc3sc(NC(=O)c4ccc(F)cc4)nc32)c1 9131695 CYAUTUCXZHVDKY-GOSISDBHSA-N 439.512 3.932 0 40 IHAB COc1ccc(OC)c([C@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)NCc2ccccc2)c1 9159746 KCWWJCGIVTXAJS-HRNNMHKYSA-N 438.568 3.688 0 40 IHAB COc1cccc(OC)c1C(=O)NC(=S)Nc1cc2nn(-c3ccccc3)nc2cc1C 9190246 GTQRWBQTSRVULJ-UHFFFAOYSA-N 447.520 3.873 0 40 IHAB COc1ccc(NC(=O)CSc2nnc(COc3ccc(C)cc3C)n2C)c(OC)c1 9263079 CCPOPIHNWIXHJN-UHFFFAOYSA-N 442.541 3.759 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCN=C2SCc2cccc(F)c2)cc1 9381034 RMCJDBIAQXJARO-UHFFFAOYSA-N 449.573 3.601 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2c(C(N)=O)oc3ccccc23)cc1 9404849 CVJJSDHFDCPEAZ-UHFFFAOYSA-N 449.488 3.893 0 40 IHAB Cc1ccc(C(=O)N/C(=C\c2cn(C)c3ccccc23)C(=O)NCCCn2ccnc2)cc1 9462709 GZDXBDVIRLVCJY-KQWNVCNZSA-N 441.535 3.661 0 40 IHAB Cc1cccc(N2CCN(C(=O)[C@@H]3Cc4ccccc4CN3C(=O)c3ccco3)CC2)c1C 9493300 ULLMOSYRCCHERW-DEOSSOPVSA-N 443.547 3.812 0 40 IHAB C[C@@H]1CN(c2cccc(Cl)c2)c2nc3c(c(=O)n(CCc4ccccc4)c(=O)n3C)n2C1 9519242 KQLGBPORVIGUKN-MRXNPFEDSA-N 449.942 3.581 0 40 IHAB Cc1cccc(C)c1-n1nnnc1SCC(=O)NCC1(N2CCCCC2)CCCCC1 9620375 DOWWNZHOHFRNLZ-UHFFFAOYSA-N 442.633 3.676 0 40 IHAB O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 9757779 MHGDZUSNDZGFRK-HXUWFJFHSA-N 433.961 3.507 0 40 IHAB CN(CC(=O)Nc1nc(-c2cc3ccccc3o2)cs1)S(=O)(=O)c1ccc(F)cc1 9871716 FYEACAOJWYGOQH-UHFFFAOYSA-N 445.497 3.955 0 40 IHAB COC(=O)c1cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)ccc1N1CCOCC1 10059847 XWQZVVDFCKLCCP-UHFFFAOYSA-N 432.904 3.759 0 40 IHAB Cc1ccc(CNC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)cc1 10128462 FWFMAJMSCMRNOP-JOCHJYFZSA-N 442.968 3.854 0 40 IHAB CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c1 10445555 PGRVLXVOGFDCCE-UHFFFAOYSA-N 444.553 3.907 0 40 IHAB CCc1ccc(-c2csc(NC(=O)[C@@H](C)OC(=O)[C@H]3CCCN(C(C)=O)C3)n2)cc1 10744971 FZHHNBWFCDULLB-KDOFPFPSSA-N 429.542 3.501 0 40 IHAB Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)OCC(=O)N[C@H]4CCCC[C@@H]4C)cc3C2=O)c1 11184898 OIGSXDCTTRQHGT-KKSFZXQISA-N 448.519 3.956 0 40 IHAB CSc1cccc(NC(=O)Cn2c(=O)c3c(C)cc(C)nc3n(-c3ccccc3)c2=O)c1 12446360 OXDNTMBAFWKECF-UHFFFAOYSA-N 446.532 3.525 0 40 IHAB O=C(C1CCN(Cn2ncn(-c3ccccc3)c2=S)CC1)N1CCc2ccccc2C1 12536877 WKKTWRFXBHFPGR-UHFFFAOYSA-N 433.581 3.658 0 40 IHAB CCCn1c(=O)c2ccccc2n2c(S[C@H](C)c3nc(-c4ccncc4)no3)nnc12 12537244 FDKVRSVGHJHZIR-CYBMUJFWSA-N 433.497 3.753 0 40 IHAB COc1ccc(OC)c([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(C(F)(F)F)c2)c1 12564471 ALBVDGQTLRITGL-GOSISDBHSA-N 435.402 3.989 0 40 IHAB C[C@H](NC(=O)[C@@H](C)SCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)c1ccccn1 12565477 SFSDHRHDDYGDJP-QWHCGFSZSA-N 428.583 3.758 0 40 IHAB O=C(CCC(=O)c1ccc(Br)cc1)NCCc1ccc(-n2cccn2)cc1 12749510 YPAQVKYEKKKXOF-UHFFFAOYSA-N 426.314 3.957 0 40 IHAB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NC[C@H](c3ccccc3)N(C)C)cc2)cc1 13096782 FKLWGJHZWRAXCY-HSZRJFAPSA-N 437.565 3.829 0 40 IHAB CCn1c(SC)nnc1[C@H]1CCCN(CC(=O)N2CCC(Cc3ccccc3)CC2)C1 13565200 KEUWAELGSKPTMK-NRFANRHFSA-N 441.645 3.681 0 40 IHAB CCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(O)cc4)[C@@H]3C2=O)cc1 13648415 RIWJAXKQAMZFDW-VABKMULXSA-N 430.460 3.842 0 40 IHAB Cn1c(CCCNC(=O)[C@H]2CCCO2)nc2cc(NC(=O)c3ccccc3Cl)ccc21 13692180 VZTSLHKCBVHVBY-HXUWFJFHSA-N 440.931 3.707 0 40 IHAB COc1ccc2nc(-c3cccc(NC(=O)COc4ccc(C(C)=O)cc4OC)c3)cn2n1 13709660 IXBBGJHENWJDKG-UHFFFAOYSA-N 446.463 3.634 0 40 IHAB Cn1c(=O)n(CCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)c2ccccc21 14780685 IMQLUPIBLDAHID-UHFFFAOYSA-N 432.446 3.988 0 40 IHAB CC(C)c1nn2c(=O)cc(COC(=O)c3ccc(NC(=O)c4ccccc4)cc3)nc2s1 15771478 ZHLBSHXOWFHQLC-UHFFFAOYSA-N 448.504 3.884 0 40 IHAB COc1cc(CN[C@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OCC(=O)N1CCOCC1 16576165 MGHXSEQTMYHVQE-VIAIDJOKSA-N 442.600 3.627 0 40 IHAB CC(=O)c1cccc(NC(=O)CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2C)c1 16840878 IFOJXXGQEKEGJO-UHFFFAOYSA-N 432.505 3.862 0 40 IHAB C[C@@H](Oc1cccc(F)c1)C(=O)N1CCC(c2nc(O)cc(-c3nccs3)n2)CC1 19078054 LNOWFYBXXOLCHB-CYBMUJFWSA-N 428.489 3.618 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cc2cc(Cl)ccc2o1 19179656 XGUXFRSSXWBYJY-UHFFFAOYSA-N 428.857 3.929 0 40 IHAB CC(C)NC(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)[C@@H]2CCCO2)C1 19449175 PXQROFUBNLVRQE-XUZZJYLKSA-N 426.582 3.880 0 40 IHAB CNC(=O)c1sc2ncccc2c1[C@H]1CN(c2cc(C)nc(-c3ccccc3)n2)CCO1 19702637 DBRFHECFWYFLLB-GOSISDBHSA-N 445.548 3.999 0 40 IHAB Cc1nc([C@H]2CCCN2C(=O)c2ccccc2)nc2c1CC(=O)N2CCc1ccccc1 19739649 LPLCFGJTCHXGSM-JOCHJYFZSA-N 426.520 3.894 0 40 IHAB Cc1nc([C@@H]2CCCN2Cc2cnn(C)c2C)nc2c1CCC(=O)N2Cc1cccc(F)c1 19740640 PAAQUKNOAPBGRM-QFIPXVFZSA-N 448.546 3.783 0 40 IHAB Cn1cc(C(=O)NCc2ccccc2)c(CC2CCN(C(=O)Cc3ccc(F)cc3)CC2)n1 19756306 NRULPBUYZYJJJI-UHFFFAOYSA-N 448.542 3.513 0 40 IHAB COc1cc(C)ccc1CN1CCC(Cc2nn(C)cc2C(=O)Nc2nccs2)CC1 19756670 KWVOEBLIKQXDJC-UHFFFAOYSA-N 439.585 3.901 0 40 IHAB O=C(NCc1ccc(F)cc1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 19930988 MDVOZCCWVPHEMN-OAQYLSRUSA-N 446.931 3.685 0 40 IHAB COc1cc([C@@H](c2nnnn2Cc2ccccc2)N2CCc3ccccc3C2)ccc1O 20121048 IWJSNRNDHZYTBI-DEOSSOPVSA-N 427.508 3.583 0 40 IHAB O=C(Nc1cccc(OCc2cc(=O)n3nc(C4CC4)sc3n2)c1)c1ccccc1F 20859367 PTFBUVFIRUBUCP-UHFFFAOYSA-N 436.468 3.999 0 40 IHAB CCN1CCc2nc(NC(=O)c3ccc(NS(=O)(=O)c4cccs4)cc3)sc2C1 21296634 SKCXPPPSJBKJEQ-UHFFFAOYSA-N 448.595 3.636 0 40 IHAB CCc1ccc(N2C[C@H](C(=O)N[C@@H](c3ccc(Cl)cc3)c3nccn3C)CC2=O)cc1 21600983 RHMWNJIFCCSWJF-GCJKJVERSA-N 436.943 3.895 0 40 IHAB O=C(COc1ccccc1F)N1CCN(Cc2nc(-c3ccc(F)cc3)cs2)CC1 21687407 BOVBZHPNJJINQH-UHFFFAOYSA-N 429.492 3.812 0 40 IHAB Cc1ccc2c(c1)[C@@H](NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O)CC(C)(C)O2 22331056 BNKSVUJTINTTAO-SFHVURJKSA-N 436.961 3.833 0 40 IHAB Cc1ccc2nc(-c3ccccc3)cc(C(=O)N3CCC[C@H](C(=O)N4CCOCC4)C3)c2c1 22604706 HDZIMQYRDSSZSI-NRFANRHFSA-N 443.547 3.921 0 40 IHAB COC(=O)[C@H](NC(=O)c1ccccc1C(=O)O)c1ccc(OCc2ccccc2)c(OC)c1 23477826 YEKVZAKVZRFNLY-JOCHJYFZSA-N 449.459 3.617 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(N2CCN(Cc3csc4ccccc34)CC2)nc1 24527809 BHDCIYVLKYTRMO-UHFFFAOYSA-N 444.626 3.649 0 40 IHAB Cc1nnc2n1N[C@@H](c1ccc(O)cc1)[C@H](C(=O)c1ccc(Br)cc1)S2 27525596 YAMKBEUGBMGSFH-DOTOQJQBSA-N 431.315 3.697 0 40 IHAB COc1ccc(NC(=O)CSc2nnc(-n3cccc3)n2Cc2ccccc2)c(OC)c1 28534746 GWWHMLLNMLQPIK-UHFFFAOYSA-N 449.536 3.865 0 40 IHAB Fc1ccc(-c2csc3ncnc(NC[C@@H]([C@H]4CCOC4)N4CCOCC4)c23)cc1 29831636 MKWVFBWPDXBBEY-LPHOPBHVSA-N 428.533 3.647 0 40 IHAB O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1)Nc1ccccc1C(F)(F)F 30951880 BQIWDGKZIFOAJZ-GFCCVEGCSA-N 440.805 3.894 0 40 IHAB C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)Nc1ccccc1OC(F)(F)F 32809350 YKVMBWSOMSRRQM-OAQYLSRUSA-N 447.413 3.913 0 40 IHAB O=C(NC[C@@H]1CCCO1)c1cccc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)c1 33019430 FUERERNJRVDGEL-HNNXBMFYSA-N 442.509 3.711 0 40 IHAB Cc1ccc(-c2cc(C(=O)NC3CCCCCC3)nn2[C@@H]2CCS(=O)(=O)C2)cc1C 33325781 HSYQQOGZVKQAKO-HXUWFJFHSA-N 429.586 3.979 0 40 IHAB COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2ccccn2)[C@@H](c2ccc(F)cc2)CN1C 35488857 BSHKNDBQZWNVTK-YBGOQADZSA-N 431.467 3.605 0 40 IHAB Cc1cc(N2C[C@H](C(=O)N3CCC[C@@H]3c3ccncc3)CC2=O)ccc1Br 36394291 SCCOPEOHSFIWMZ-VQIMIIECSA-N 428.330 3.869 0 40 IHAB CS(=O)(=O)N1C[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)Oc2ccc(Cl)cc21 38834739 DJRSNOYLIZYZBC-OAHLLOKOSA-N 434.823 3.525 0 40 IHAB Cc1ccc(NC(=O)NCc2ccccc2CO)cc1NC(=O)NCc1ccccc1CO 40158445 RNQCZZHKVRFXJV-UHFFFAOYSA-N 448.523 3.623 0 40 IHAB CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)Nc1ccc(OC(F)(F)F)cc1 40287557 GZRDHFDAGWBNAW-FQEVSTJZSA-N 433.386 3.523 0 40 IHAB COc1ccc(CNC(=O)CCn2nc(-c3ccc(C(C)C)cc3)ccc2=O)c(OC)c1 41255214 RATISFJDXUTSJO-UHFFFAOYSA-N 435.524 3.757 0 40 IHAB Cc1cccc(N(C)C(=O)Cn2c(=O)n(Cc3cccc(Cl)c3)c(=O)c3ccccc32)c1 57472975 XXKBVHHCZYYUDO-UHFFFAOYSA-N 447.922 3.836 0 40 IHAB CCOc1ccc(NC(=O)Cn2cnc3c(cnn3-c3cc(Cl)ccc3C)c2=O)cc1 57486465 DORKDWZWTVZIIV-UHFFFAOYSA-N 437.887 3.581 0 40 IHAB CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3cnccc3OC)cc2)cc1 58305348 LDXFKHLVCMUJPV-UHFFFAOYSA-N 427.482 3.542 0 40 IHAB O=C(CNc1ccccc1CN1CCC(CO)CC1)Nc1ccc(OC(F)(F)F)cc1 58327430 MHUYZVNKFMRWQP-UHFFFAOYSA-N 437.462 3.840 0 40 IHAB CC(C)CNC(=O)c1ccc(NCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)cc1Cl 59806326 JNLJKTQMMYGCHR-OAHLLOKOSA-N 442.947 3.902 0 40 IHAB Cc1ccccc1-c1cn(CC(=O)NCc2ccc(F)c(Cl)c2)nc1N1CCOCC1 62006939 XPHWZPTVFXZSIT-UHFFFAOYSA-N 442.922 3.804 0 40 IHAB CCOc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccc(C)c(Cl)c2)c1C 67323067 DGSHRJCFVSVAGX-UHFFFAOYSA-N 427.892 3.838 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CNc2ccc3nc(C)sc3c2)cc1 69450251 YVTZRNYLZBHCCS-UHFFFAOYSA-N 432.571 3.686 0 40 IHAB Cc1nnc(-c2ccc(NC(=O)NC[C@@H](O)COc3cccc(C(F)(F)F)c3)cc2)o1 72309737 WVVHICGCBQJYQN-MRXNPFEDSA-N 436.390 3.625 0 40 IHAB O=C(COC(=O)c1ccccc1I)Nc1cc(F)ccc1Cl 72330000 MIFYLLILVGDWIB-UHFFFAOYSA-N 433.604 3.879 0 40 IHAB O=C(CN1CCC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCC[C@H](c2ccccc2)C1 72373064 PUBIPHYXRHOIBJ-GOTSBHOMSA-N 448.611 3.555 0 40 IHAB CNC(=O)[C@]1(Cc2cccc(-c3cccc(F)c3)c2)CCCN(C(=O)[C@@H]2CCCCO2)C1 72391542 FGWOSEGBGOEFPO-OZXSUGGESA-N 438.543 3.959 0 40 IHAB COc1ccc(C2(CNC(=O)c3cc(C(C)C)nc4c3c(C)nn4C)CCOCC2)cc1 72405265 NGQYYVBQXKNCEW-UHFFFAOYSA-N 436.556 3.887 0 40 IHAB O=C(CN1CCC(c2nnc(C(F)(F)F)o2)CC1)N1CCC(Cc2ccccc2)CC1 77198043 KZXMRQQJOALBRW-UHFFFAOYSA-N 436.478 3.749 0 40 IHAB COc1ccc2[nH]cc(C3=CCN(Cc4cccc(S(=O)(=O)N(C)C)c4)CC3)c2c1 89322691 LUXJYBMWHXDQEB-UHFFFAOYSA-N 425.554 3.716 0 40 IHAB O=C1[C@H]2ON=C(c3ccc(Br)cc3)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 100830988 INAZODZJDLWUPH-HIFRSBDPSA-N 439.187 3.760 0 40 IHAB COc1ccc(-c2csc(C3=C(O)CN(c4ccccc4C(N)=O)C3=N)n2)cc1OC 102727911 IXVFCABJBRKSMC-UHFFFAOYSA-N 436.493 3.693 0 40 IHAB COc1cc(-c2cc(C(=O)NC[C@H]3CCCN3c3ccccc3)[nH]n2)cc(OC)c1OC 207992573 OSBRZEBEHCTYIH-GOSISDBHSA-N 436.512 3.501 0 40 IHAB CN(CC(=O)NCCCc1ccc(Cl)cc1)S(=O)(=O)c1ccc2ccccc2c1 219702605 BWLJQRHVWLKFGW-UHFFFAOYSA-N 430.957 3.863 0 40 IHAB CC[C@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)c1ccc(OC)cc1 219758183 ZNKJOLNYXPAXEF-VQTJNVASSA-N 436.961 3.769 0 40 IHAB COC(=O)c1cccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)c(C)c2)c1 224197154 FWYCCEAMZCUYTL-UHFFFAOYSA-N 438.505 3.859 0 40 IHAB CN(C)c1nc(N2CCCCC2)ncc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 224344996 ICJYOWBVNAEHBG-UHFFFAOYSA-N 430.361 3.641 0 40 IHAB CC[C@@H](NS(=O)(=O)c1ccc(OC)c(N2CCCC2=O)c1)c1ccc(OC)c(C)c1 224404261 PNOGWXKVVSHOAG-GOSISDBHSA-N 432.542 3.569 0 40 IHAB COc1ccc(OC[C@@H](C)NC(=O)c2ccc(C)cc2I)cc1 225025767 DSLTVMBVPMRPAX-CYBMUJFWSA-N 425.266 3.806 0 40 IHAB CN(Cc1ccccc1F)C(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(C)(=O)=O 226062930 VBRKVTDTDNHUKV-UHFFFAOYSA-N 433.332 3.553 0 40 IHAB O=C(c1cccnc1O[C@@H]1CCSC1)N1CCN(c2nsc3ccccc23)CC1 252484349 FUQYBKCKNHBFFY-OAHLLOKOSA-N 426.567 3.538 0 40 IHAB Cc1ccc2[nH]nc(C(=O)N3CCC[C@H](CC(=O)NCc4ccc5c(c4)CCCO5)C3)c2c1 257209120 BPDBNWUMYNPYPA-LJQANCHMSA-N 446.551 3.755 0 40 IHAB COc1ccc([C@@H]2CN(CC(=O)NC(c3ccccc3)c3ccccc3)CCN2C)cc1 257338238 YWOBSHZSPJOLLQ-VWLOTQADSA-N 429.564 3.890 0 40 IHAB CCC[C@@H](C)NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1cc(C)ccc1OC 408626446 YYOQJZJWDDXQFX-LJQANCHMSA-N 432.586 3.542 0 40 IHAB O=C(COC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1)Nc1ccc(F)cc1 408671799 UWBRWLHMQOSTIJ-NSHDSACASA-N 425.243 3.667 0 40 IHAB C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408704590 QDGOFEJBNJHUPG-LLVKDONJSA-N 445.324 3.558 0 40 IHAB COc1ccccc1N1CCN(S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)CC1 409169782 ZYRCELYBXVYPQI-UHFFFAOYSA-N 431.341 3.522 0 40 IHAB CCC[C@H](C)NC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 409266970 ZJZZHYIENFMPLF-HNNXBMFYSA-N 439.375 3.949 0 40 IHAB NS(=O)(=O)Cc1cccc(-c2nc(-c3cccc(Cn4cnc5ccccc54)c3)no2)c1 504802908 JEBWCARFYYXIPW-UHFFFAOYSA-N 445.504 3.590 0 40 IHAB CC(C)CN1C[C@@H](c2nc(-c3ccc(N4CCCN(C)CC4)c(Cl)c3)no2)CC1=O 545770996 PJAKXHKOQYCVMT-KRWDZBQOSA-N 431.968 3.504 0 40 IHAB Cc1ccc2nc(C(=O)N3CCC(C(=O)c4ccc5c(c4)NC(=O)[C@@H](C)O5)CC3)ccc2c1 559490104 CENWLPMZLGJJAT-MRXNPFEDSA-N 443.503 3.998 0 40 IHAB CCOc1ccc(NS(=O)(=O)c2cccc(-c3nc(Cc4cccnc4)no3)c2)cc1 559967912 QSNMPUHITJAACI-UHFFFAOYSA-N 436.493 3.922 0 40 IHAB Cn1c(=O)n(CC(=O)N2CCCC[C@@H]2c2ncc(Cc3cccc(F)c3)o2)c2ccccc21 1848353296 BRIYEISPGJANGZ-JOCHJYFZSA-N 448.498 3.812 0 40 IHAB Cc1ccc(OCC2(O)CCN(CC(=O)Nc3ccc(OC(F)F)cc3)CC2)cc1C 2037916067 LRSVXUSBBYGFKA-UHFFFAOYSA-N 434.483 3.749 0 40 IHAB CCc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)c3ccc(F)cc3)n2)cc1 797077 ATEFJCHSCFCDBU-UHFFFAOYSA-N 444.470 3.933 0 40 IHAB COc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(Cl)cc3Cl)CC2=O)cc1 800514 BANQIOZFOSVLPN-GFCCVEGCSA-N 437.279 3.537 0 40 IHAB Cn1c(CNS(=O)(=O)c2ccc(Cl)cc2)nnc1SCc1ccc(Cl)cc1 1388267 VDOVXPYZTVLLCT-UHFFFAOYSA-N 443.381 3.893 0 40 IHAB COC(=O)c1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCOC(C)C)cc1 2448669 ILYVIKPJKKVIBF-OAQYLSRUSA-N 435.476 3.940 0 40 IHAB O=C(OCC(=O)c1c[nH]c2ccccc12)c1cccc(S(=O)(=O)N2CCCCCC2)c1 2725878 NSUBLHBGKFKWSX-UHFFFAOYSA-N 440.521 3.772 0 40 IHAB aggregator CCn1cc(CN(C)C(=O)c2ccc(Cn3nc(C)c(Br)c3C)o2)c(C)n1 2778730 LMCXTDFOWCCAFO-UHFFFAOYSA-N 434.338 3.701 0 40 IHAB COCCn1c(S)nc2cc(C(=O)NCc3ccc(Cl)c(Cl)c3)ccc2c1=O 3051704 WFPXOUVGEJUQTC-UHFFFAOYSA-N 438.336 3.568 0 40 IHAB COCCCNC(=O)CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 3415468 DKSBGDSUFUCDDS-UHFFFAOYSA-N 438.977 3.695 0 40 IHAB COc1cc(Cl)c(C)cc1-n1c(SCC(=O)NC2CC2)nc2ccccc2c1=O 3489989 NITUELWHAGRSKK-UHFFFAOYSA-N 429.929 3.727 0 40 IHAB CN(C1CCCCC1)S(=O)(=O)c1ccc(SCC(=O)N2CCCCCC2)nc1 5689270 ZYMCWJNJCYKXRJ-UHFFFAOYSA-N 425.620 3.530 0 40 IHAB COc1ccc(OC)c(/C=C/C(=O)OCC(=O)c2cc(C)n(C[C@H]3CCCO3)c2C)c1 6280742 FZJIGBVYQJAHKC-JRMCHAMMSA-N 427.497 3.740 0 40 IHAB O=C(c1cccs1)N1C(=O)c2cccc3c(S(=O)(=O)N4CCCCC4)ccc1c23 8763788 XUPIDQWSXUVRCQ-UHFFFAOYSA-N 426.519 3.877 0 40 IHAB CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccncc4)[C@@H]3C2=O)cc1 9282639 ZZEGYUHGFNNAND-ZRBLBEILSA-N 429.476 3.922 0 40 IHAB COc1ccccc1OCc1nnc(S[C@H](C)C(=O)Nc2nc(C)c(C)s2)n1C 9329036 PDRPGSNZGVXHPJ-CYBMUJFWSA-N 433.559 3.595 0 40 IHAB O=C(COC(=O)CSCc1ccc(Cl)c(Cl)c1)NC(=O)Cc1ccccc1 9467873 CNXRMISNWWJVCS-UHFFFAOYSA-N 426.321 3.655 0 40 IHAB CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(NC(C)=O)cc1 9498737 ZGXSVYAWQPNGRG-UHFFFAOYSA-N 425.514 3.566 0 40 IHAB COc1ccc(CN(C(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)C2CC2)cc1 9641920 BKGZZCWZGHKMNF-UHFFFAOYSA-N 442.581 3.983 0 40 IHAB COc1cc(OC)cc(C(=O)Nc2nc(CC(=O)N3c4ccccc4C[C@H]3C)cs2)c1 9659221 GVBYZZQRBKFQES-CQSZACIVSA-N 437.521 3.933 0 40 IHAB CCC(=O)N(c1nnc(SCc2nc3sc(C(C)=O)c(C)c3c(=O)[nH]2)s1)C1CC1 9815322 JDCZSXSHBUKXJY-UHFFFAOYSA-N 449.583 3.545 0 40 IHAB O=C(N[C@@H](c1ccccc1)C1CC1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 9876083 LYHAFDRXMRRPGR-FQEVSTJZSA-N 433.961 3.507 0 40 IHAB C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2ccc(N3CCCCC3)cc2)C1=O 9985135 GLMDTOMMVIRXNB-QHCPKHFHSA-N 440.931 3.736 0 40 IHAB CCN(CC(=O)NCc1cccs1)C(=O)CSc1nccn1-c1cccc(Cl)c1 10876133 TXMKYZQAUQKWLC-UHFFFAOYSA-N 449.001 3.844 0 40 IHAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1cccc(I)c1 11083299 YNVOABRVFSBPAY-UHFFFAOYSA-N 431.277 3.808 0 40 IHAB CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1nc2cc3c(cc2s1)OCCO3 11751561 KEAFODRXIJHECG-YJYMSZOUSA-N 425.510 3.851 0 40 IHAB COc1ccc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1S(=O)(=O)NC(C)C 11918168 LGGXVJLXYIYEGG-UHFFFAOYSA-N 446.525 3.676 0 40 IHAB Cc1nc2cc(-c3nccn3C)nn2c(NC[C@H](O)COc2ccc3ccccc3c2)c1C 12087633 VOCOCCHYGUWRFF-FQEVSTJZSA-N 442.523 3.752 0 40 IHAB COc1ccc(OC)c(S(=O)(=O)N2CCn3cccc3[C@H]2c2ccc(Cl)cc2)c1 12361420 OVEZWBLBKDXTLC-OAQYLSRUSA-N 432.929 3.953 0 40 IHAB O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCCC3)c2)o1)c1ccc(F)cc1 12374349 POMWQYCFDUZAGA-UHFFFAOYSA-N 447.513 3.635 0 40 IHAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)c1nn2cc(-c3ccccc3)nc2s1 12520802 HMEBNUPEWRAGPO-HNNXBMFYSA-N 446.536 3.658 0 40 IHAB O=C1COc2ccc(N[C@@H]3CC(=O)N(c4ccc(Oc5ccccc5)cc4)C3=O)cc2N1 12545661 MXENPZUCDDWUAB-HXUWFJFHSA-N 429.432 3.554 0 40 IHAB O=C1N(c2ccc(Cl)cc2)[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(C(F)(F)F)c1 12636197 VWYILPZCEBAWJO-HOTGVXAUSA-N 430.835 3.971 0 40 IHAB O=C(CCn1cnc2scc(-c3ccc(Cl)cc3)c2c1=O)NC(=O)NC1CCCC1 12751347 VPPAHLANENCVDO-UHFFFAOYSA-N 444.944 3.937 0 40 IHAB FC(F)(F)c1nc(NCc2ccc3c(c2)OCO3)c2nnn(Cc3ccccc3)c2n1 12881104 YYPHUWHLQKYCMZ-UHFFFAOYSA-N 428.374 3.629 0 40 IHAB C[C@@H]1CCCC[C@H]1NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 12996330 XEHVPXSKWPUMHJ-IAQYHMDHSA-N 426.888 3.674 0 40 IHAB O=S(=O)(c1ccc2c(c1)OCCO2)c1nc(-c2ccccc2F)oc1N1CCCC1 13735276 SGMYLLJFYOLOFU-UHFFFAOYSA-N 430.457 3.685 0 40 IHAB C[C@@H](CCc1ccccc1)NC(=O)CCC(=O)Nc1ncc(-c2ccc3c(c2)OCO3)n1C 13880494 VJUIOBAPQWFKMV-KRWDZBQOSA-N 448.523 3.672 0 40 IHAB C[C@H](N[C@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)c1ccc(Cl)cc1 14118602 LIJXFYIGMRQBPY-QWHCGFSZSA-N 444.384 3.922 0 40 IHAB COc1ccccc1-c1cc2c(=O)n(Cc3nc(-c4ccc(Cl)cc4)no3)ccn2n1 16842011 VGCYUIKSQHSALP-UHFFFAOYSA-N 433.855 3.923 0 40 IHAB COc1ccc2nc(NC(=O)[C@@H]3CCCCN3S(=O)(=O)c3cccs3)sc2c1 16960228 KBPSOOMHEAUVEQ-AWEZNQCLSA-N 437.568 3.548 0 40 IHAB CC(C)c1nnc(NC(=O)[C@H]2CC(=O)N(CCc3c[nH]c4ccc(Cl)cc34)C2)s1 17945969 AMOGBGJHRBHSPG-ZDUSSCGKSA-N 431.949 3.826 0 40 IHAB C[C@H](NC(=O)CCNC(=O)c1ccc(Br)cc1)c1ccc(-n2ccnc2)cc1 18047785 LGHGUBQBEKSQHP-HNNXBMFYSA-N 441.329 3.632 0 40 IHAB Cc1nnc(NC(=O)[C@H](C)Sc2ccc(NC(=O)c3ccccc3C(=O)O)cc2)s1 19636168 MNHFKVMKXGDERD-NSHDSACASA-N 442.522 3.916 0 40 IHAB COc1cc(OC)cc(-c2n[nH]c(SCc3nnc(-c4cccc(OC)c4)o3)n2)c1 19928977 ZUKZMGQPFDOORS-UHFFFAOYSA-N 425.470 3.840 0 40 IHAB CCc1nn2c(nnc3c(=O)n(-c4cc(OC)ccc4OC)ccc32)c1-c1ccc(F)cc1 19962752 HJHVNVXVGVESOQ-UHFFFAOYSA-N 445.454 3.814 0 40 IHAB Cn1cnnc1SCC(=O)Nc1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1 20102712 HEBPIMHRHLSAFY-UHFFFAOYSA-N 425.558 3.701 0 40 IHAB CN(C(=O)CN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)C1CCCCC1 20215780 RXNYULYWGUQDGG-OVKIHRCZSA-N 428.532 3.670 0 40 IHAB Cc1cc(C)cc(N(CC(=O)NCCCc2ccc(OC(C)C)cc2)S(C)(=O)=O)c1 22329134 UDLYHHDAFPWNFN-UHFFFAOYSA-N 432.586 3.606 0 40 IHAB CN(C)c1ccc(NC(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)cn1 22420881 BXLFHWQOCMJXJL-UHFFFAOYSA-N 448.907 3.993 0 40 IHAB COc1ccccc1[C@@H](c1sc2nc(C)nn2c1O)N1CCN(c2ccccc2)CC1 22626915 ZCDCAXQEHUFEHF-FQEVSTJZSA-N 435.553 3.725 0 40 IHAB 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426.947 3.618 0 40 IHAB CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 33040277 OVKUMFSBRGBRNM-ZWKOTPCHSA-N 447.576 3.673 0 40 IHAB Cc1ccc(-c2cc(C(=O)NCc3ccccc3F)nn2[C@H]2CCS(=O)(=O)C2)cc1C 33325698 QYDNZJQGHLICBN-IBGZPJMESA-N 441.528 3.596 0 40 IHAB Cc1nc(CSCC(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)cs1 36397210 CPBKCVJZPUFEMP-GOSISDBHSA-N 426.007 3.528 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCN(Cc3nc(-c4cccs4)oc3C)CC2)cc1 40039197 MVQWINKJMPAPMV-UHFFFAOYSA-N 431.583 3.917 0 40 IHAB O=C(NC1CCN(C(=O)c2ccccc2)CC1)c1cc2cc(Br)ccc2[nH]1 40062053 XXCPRSFYMWYAAP-UHFFFAOYSA-N 426.314 3.965 0 40 IHAB CCc1c(C(=O)O)nnn1-c1cccc(NS(=O)(=O)c2ccc(CCC(C)C)cc2)c1 40146645 RMEUKTHFIDPHCL-UHFFFAOYSA-N 442.541 3.917 0 40 IHAB CC[C@@H](C)[C@@H](C(=O)OCc1cn2cc(Cl)ccc2n1)N1C(=O)c2ccccc2C1=O 40159163 COZOTFGAPBDCNI-YJYMSZOUSA-N 425.872 3.742 0 40 IHAB O=C(Cc1ccccc1)NCC(=O)Nc1ccc(Oc2cccc(Br)c2)nc1 58163207 HJKKUEXCIGFENH-UHFFFAOYSA-N 440.297 3.934 0 40 IHAB CCN(C(=O)COC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1)C1CCCCC1 70011164 UPAMEJCKKMADNQ-OAQYLSRUSA-N 438.524 3.571 0 40 IHAB COc1cccc2sc(N3CC(OC(=O)c4cccc(S(=O)(=O)C(C)C)c4)C3)nc12 77200606 KMNGLXUJMNBLNE-UHFFFAOYSA-N 446.550 3.533 0 40 IHAB Cc1cccc2c1ccn2CCNC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl 95480027 AZKAOJJDGNEMIL-UHFFFAOYSA-N 445.972 3.963 0 40 IHAB CC(C)Cn1ccnc1CNC(=O)[C@@H]1CC(=O)N(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 95989114 IENNALOZXIBXFD-IIBYNOLFSA-N 434.943 3.946 0 40 IHAB O=C(NC1CCCC1)c1cnc(N2CCN(CCOc3ccccc3)CC2)c(Cl)c1 97831061 NXGPPTMIXKTKHA-UHFFFAOYSA-N 428.964 3.608 0 40 IHAB COc1cc(CN2[C@@H]3CC[C@@H]2CC(O)(Cn2ccc4ccncc42)C3)cc(OC)c1OC 100146028 BJZCRSFQUBCGSN-WOJBJXKFSA-N 437.540 3.620 0 40 IHAB CCC(=O)N1CCc2nc3cc([C@H]4CCCCN4Cc4ccc(C)s4)nn3c(O)c2C1 100233992 SACAUOFHWRMGNJ-HXUWFJFHSA-N 439.585 3.827 0 40 IHAB Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NC(=O)[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)O 100619551 LIZVVNFAFNWMLU-QAETUUGQSA-N 438.311 3.672 0 40 IHAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)/N=c3\sc4ccccc4n3C)cc2)C1 100815434 RIQZRSZORYOEAT-AOOFFHDXSA-N 443.594 3.648 0 40 IHAB CC(=O)c1ccc(OC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@H]6C[C@H]56)[C@H]4C3=O)c2)cc1 101231827 SYHZFNWVMRIJCN-RCQJKQRMSA-N 427.456 3.666 0 40 IHAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1ccccc1C 222492365 NVEVRXOWGCQUMU-QHCPKHFHSA-N 434.511 3.899 0 40 IHAB O=C1CCCN1c1ccc(S(=O)(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1 222905690 SZNNAPBOUGGXOI-UHFFFAOYSA-N 434.930 3.786 0 40 IHAB CC[C@H](C(=O)Nc1nnc(SC(C)C)s1)N(c1cc(C)cc(C)c1)S(C)(=O)=O 223479903 GYEHPEDQRKJQBX-OAHLLOKOSA-N 442.632 3.839 0 40 IHAB Cc1cccc(N(CC(=O)NCCOc2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c1C 223702535 BFKAYTMIKUSFCC-UHFFFAOYSA-N 432.586 3.562 0 40 IHAB COC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224611442 ZKUWKDAZFJQBLJ-UHFFFAOYSA-N 432.325 3.987 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCCOCc1ccccc1)c1ccc2ccccc2c1 224687217 WMLKITSDMDKJCO-UHFFFAOYSA-N 440.565 3.719 0 40 IHAB CS(=O)(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccs2)cc1 225384997 DAVXCMWLMBGQFV-QZTJIDSGSA-N 430.580 3.692 0 40 IHAB O=C(COc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)cc1)N1CCCC1 225570998 VBEMOQWMEJKGRT-UHFFFAOYSA-N 426.488 3.514 0 40 IHAB Cc1nn(C)cc1S(=O)(=O)N1CCCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257261713 LINDPJPXATWFBU-SFHVURJKSA-N 434.949 3.877 0 40 IHAB Cc1ncsc1C(=O)N1CCO[C@@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1 257304107 SKCWAAYDMMOEAN-GOSISDBHSA-N 432.933 3.663 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)C(C)C)c2cc(C)cc(C)c2)cc1OC 260899679 PJPHJLOWNKEJPB-GOSISDBHSA-N 448.585 3.677 0 40 IHAB NC(=O)COc1ccc(Br)cc1[C@H]1SCC(=O)N1c1ccc(Cl)cc1 408560253 YDANQJNPMNQDDQ-QGZVFWFLSA-N 441.734 3.745 0 40 IHAB CC(C)Oc1ccc(NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1 408620617 PVBGQQFQWZLEFK-UHFFFAOYSA-N 441.347 3.641 0 40 IHAB O=C(COC(=O)c1ccc(NC(=O)C(F)(F)F)cc1)Nc1ccc(Br)cc1 408645418 LKECQABOSFGRFI-UHFFFAOYSA-N 445.191 3.745 0 40 IHAB Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4C[C@@H](C)CC[C@H]4C3=O)cc2)cc1 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O=C(COc1ccccc1F)Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCCC2 1253576 SCPGNWSYGIAROZ-CQSZACIVSA-N 432.517 3.692 0 40 IHAB CCOc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)CC(C)C)cc2)cc1 2136501 NZWOAQFEJQOJST-UHFFFAOYSA-N 435.571 3.745 0 40 IHAB CCOc1ccc([C@@H]2C(C(=O)OCC(C)C)=C(C)N=C3S[C@@H](C)C(=O)N32)cc1OC 2463325 LZDIDLGNXREJNR-IFXJQAMLSA-N 432.542 3.942 0 40 IHAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N(CCc1ccccc1)Cc1ccccc1)C2=O 2630834 ZOQOAIPUUVURJI-FQRUVTKNSA-N 433.552 3.759 0 40 IHAB Cc1ccc(C(=O)c2sc3c(c2N)c(=O)n(C)c(=O)n3-c2ccc(Cl)cc2)cc1 3226884 BHBNZXCIEDCTNY-UHFFFAOYSA-N 425.897 3.526 0 40 IHAB C[C@H]1CCc2c(sc3nc(COC(=O)CCC(=O)c4ccc(F)cc4)[nH]c(=O)c23)C1 3319837 XYPWGEDLIKWOJN-LBPRGKRZSA-N 428.485 3.955 0 40 IHAB CC(C)CCNC(=O)NC(=O)COC(=O)c1ccccc1-c1nc2ccccc2s1 3347951 IITMKPQCQJEBCZ-UHFFFAOYSA-N 425.510 3.992 0 40 IHAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OCO4)n2C(C)C)cc1 3481794 IGZYNKKPWRYJFZ-UHFFFAOYSA-N 426.498 3.994 0 40 IHAB CCCOc1c(I)cc(/C=C2\SC(=N)NC2=O)cc1OCC 8451585 JHZIKNMDXVMLSC-WQLSENKSSA-N 432.283 3.617 0 40 IHAB COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 8941735 QLMMSVLKFSBQSU-SFHVURJKSA-N 438.549 3.848 0 40 IHAB O=C(CSc1nnnn1C1CCCC1)N1N=C(c2cccs2)C[C@H]1c1ccco1 9255732 AZLGEJPXYLUTLM-HNNXBMFYSA-N 428.543 3.913 0 40 IHAB Cn1c(CCn2ccccc2=O)nc2cc(NC(=O)COc3ccc(Cl)cc3)ccc21 9410853 YDUJFGCGLYESON-UHFFFAOYSA-N 436.899 3.649 0 40 IHAB Cc1nc2cc(NC(=O)c3cccc(S(=O)(=O)NCc4cccs4)c3)ccc2o1 9447572 ZISSJNZZEKFXCO-UHFFFAOYSA-N 427.507 3.929 0 40 IHAB O=C(NC1CC1)c1cccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c1 9463711 FPGKZVSLEPTKGJ-KRWDZBQOSA-N 425.916 3.723 0 40 IHAB Cc1ccc(-n2c(SCc3nnc(-c4ccccc4)o3)nnc2N2CCOCC2)cc1 9471046 JWUCHRXVIWCKMH-UHFFFAOYSA-N 434.525 3.755 0 40 IHAB O=C(CSc1nnnn1-c1ccc(O)cc1)N(Cc1ccc(F)cc1)C1CCCCC1 9481016 PWBHXORWCLTVCO-UHFFFAOYSA-N 441.532 3.961 0 40 IHAB COc1cc(C(=O)OCC(=O)NC(=O)CCSc2ccccc2)ccc1OCC(C)C 9511190 WDZUXKOAAXXKFE-UHFFFAOYSA-N 445.537 3.712 0 40 IHAB CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)n2c([C@@H](C)O)nc3ccccc32)c1 9588929 WODCOJPRVPHSRK-QGZVFWFLSA-N 449.532 3.993 0 40 IHAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 9726576 MSVMPQUQBAFCAV-UHFFFAOYSA-N 449.532 3.544 0 40 IHAB COC(=O)c1c(C)cccc1NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 9836257 RYUYNRKEYPFJCS-UHFFFAOYSA-N 427.460 3.792 0 40 IHAB COCCn1c(SCc2cc(=O)n3c4c(sc3n2)CCCC4)nc2ccccc21 9958490 LTXXFQGUKXEHJF-UHFFFAOYSA-N 426.567 3.923 0 40 IHAB COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 9970925 UIULAQLROPBQHY-UHFFFAOYSA-N 439.493 3.707 0 40 IHAB Cn1ccnc1SCc1nc2ccccc2c(=O)n1CCCn1cnc2ccccc21 12507107 HUNZPGUZFKVNLZ-UHFFFAOYSA-N 430.537 3.862 0 40 IHAB O=C(CN1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21)Nc1cccc(C(F)(F)F)c1 12563354 LJDYNHIQVSCJSS-HXUWFJFHSA-N 447.457 3.924 0 40 IHAB Cc1ccc(NC(=O)CN2CCC(NC(=O)c3cccc(F)c3)CC2)c(Br)c1 12644450 XNWXFYYLHFJRRJ-UHFFFAOYSA-N 448.336 3.730 0 40 IHAB CCOc1c(Br)cc(Cl)cc1NC(=O)CN1C(=O)c2ccccc2C1=O 12909269 AGETXXICRNYIGL-UHFFFAOYSA-N 437.677 3.736 0 40 IHAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)c1csc(COc2ccc(Cl)cc2)n1 12921743 BUFXHJGRHUQPNA-UHFFFAOYSA-N 446.941 3.946 0 40 IHAB C[C@H]1CCCC[C@@H]1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br 12928803 RHKKPHKSXAXHQV-GUYCJALGSA-N 429.380 3.542 0 40 IHAB CCCN(Cc1nnc(-c2cccs2)o1)[C@@H](C(=O)N1CCOCC1)c1ccccc1 12983810 JZUWDAPZMDTMSI-HXUWFJFHSA-N 426.542 3.610 0 40 IHAB C[C@@H]1c2ccsc2CCN1CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 13163269 DVBCUJLEDKEQED-QGZVFWFLSA-N 447.626 3.871 0 40 IHAB CN(C[C@@H]1COc2ccccc2O1)C(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1 13164639 UWQICYWVOSCHTG-GOSISDBHSA-N 436.537 3.535 0 40 IHAB CCOC(=O)[C@H]1CCCN(C(=O)C2(NC(=O)Nc3ccc(F)cc3F)CCCCC2)C1 13563212 FAENMRBHWQVNJK-HNNXBMFYSA-N 437.487 3.591 0 40 IHAB Cc1cc(Cl)cc(NC(=O)CSC2=N[C@H](c3c[nH]c4ccccc34)NC(N)=N2)c1 13579216 TVBRBBHLACZBOG-GOSISDBHSA-N 426.933 3.774 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)CCN3S(=O)(=O)CC)cc1 13610339 SNOWOCCGQOLITP-UHFFFAOYSA-N 430.526 3.608 0 40 IHAB Cc1nnc(SCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)nc1O 13637262 WRNBIKSFALQELI-OAHLLOKOSA-N 429.889 3.602 0 40 IHAB COc1ccc(NC(=O)NCCC(=O)OCc2cc(Cl)c3c(c2)OCCCO3)cc1 14172769 TWDZPQOLQSWJSB-UHFFFAOYSA-N 434.876 3.765 0 40 IHAB Cc1nc2nc(N)nn2c(C)c1CCC(=O)N(C)Cc1ccc(-c2ccc(Cl)cc2)o1 14202323 ZNANVGASZLOURQ-UHFFFAOYSA-N 438.919 3.828 0 40 IHAB CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(Br)cc3Cl)ccc21 15245334 RYHUFLXZRFNMSY-UHFFFAOYSA-N 429.723 3.812 0 40 IHAB COC(=O)c1ccccc1NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 15398150 DMKKGQHZAHAQAT-UHFFFAOYSA-N 438.505 3.616 0 40 IHAB CCCOc1ccc(N2C(=O)C[C@H](N3CCC(Nc4ccc(F)cc4)CC3)C2=O)cc1 18265627 NTQWYCFNPRBDKI-QFIPXVFZSA-N 425.504 3.823 0 40 IHAB C[C@@H](OC(=O)c1c[nH]c2ccccc12)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 18594870 GZMZVHKPDWAOEE-LLVKDONJSA-N 431.370 3.717 0 40 IHAB Cc1cccc([C@@H](Cc2cc(N(C)C)nc(C3CC3)n2)NC(=O)Cn2nc(C)c(C)c2C)c1 19234450 UGMKPXSEUUPNPB-HSZRJFAPSA-N 446.599 3.950 0 40 IHAB CNC(=O)[C@]1(Cc2ccccc2-c2cccc(C)c2)CCN(C(=O)CCn2nccc2C)C1 19235474 JKDRRUXNZJWQRM-MHZLTWQESA-N 444.579 3.764 0 40 IHAB Cc1cnn(CC(=O)N2CCc3nc(-c4cccnc4)nc(Nc4cccc(F)c4)c3C2)c1 19239919 WDNINHXQOIIDCE-UHFFFAOYSA-N 443.486 3.511 0 40 IHAB O=C(C1CC1)N1CCCc2cc([C@@H](O)CN3CCC(O)(c4ccc(F)cc4)CC3)ccc21 19332962 SVWKEKLZZWAMQW-DEOSSOPVSA-N 438.543 3.532 0 40 IHAB CC(=O)Nc1cccc([C@@H]2CN(C(=O)[C@@H](C)c3ccccc3)C[C@]23CCCCC(=O)N3)c1 19459377 KGKWSRLSASWRMZ-QFMFQJCFSA-N 433.552 3.804 0 40 IHAB CCOc1ncc(C2(O)[C@H]3CCC[C@@H]2CN(Cc2cc(C)ccc2OC)C3)c(OCC)n1 19531631 YRXVHRZAVPSTDA-WPUZRXDDSA-N 441.572 3.711 0 40 IHAB COc1cc2cc(N)c([C@@H]3CCCN(C(=O)[C@H]4CCC[C@@H](OC)C4)C3)nc2cc1OC 19550964 AESDUXIGKNVNSE-LZLYRXPVSA-N 427.545 3.745 0 40 IHAB CN(C)c1ncc(-c2ccc(F)cc2)c([C@@H]2CN(C(=O)CCCc3ccccn3)CCO2)n1 19692984 NKWCPNDGXADKMV-QFIPXVFZSA-N 449.530 3.667 0 40 IHAB Cc1cnc(C(=O)N2CCC[C@@H](c3nc(N(C)C)ncc3-c3ccc(Cl)cc3)C2)cn1 19694019 RXVOBOPXKYQPMF-QGZVFWFLSA-N 436.947 3.981 0 40 IHAB CCOc1ccc2c(c1)cc(C(=O)N1CCC[C@@H]1c1nc(C)c3c(n1)N(C)C(=O)CC3)n2C 19741873 NHEPWHPQWYIPOW-HXUWFJFHSA-N 447.539 3.562 0 40 IHAB Cc1nc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)COc3ccccc3)CC2)cs1 19747024 MZPZZMHGXHXZET-QFIPXVFZSA-N 441.597 3.693 0 40 IHAB O=C(CC1CCN(C(=O)CC2CCCCC2)CC1)NCCc1ccc2c(c1)OCCO2 19748295 VCUKWIDXMSNDRV-UHFFFAOYSA-N 428.573 3.716 0 40 IHAB CCOC(=O)c1c(NC(=O)COc2c(F)c(F)cc(F)c2F)sc(C(=O)OC)c1C 21409676 XDHONAUZULIFEE-UHFFFAOYSA-N 449.378 3.594 0 40 IHAB CC(=O)N(c1cccc(C)c1)c1nc(COC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)cs1 21714978 LOHGEQRJQUCSJF-QGZVFWFLSA-N 441.553 3.970 0 40 IHAB COc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)cc1 22509825 INXOCNKWHDPCEL-DENIHFKCSA-N 444.597 3.547 0 40 IHAB Cc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN2CCOCC2)cc1 24148003 QIZXNUBWHOWOPC-XMMPIXPASA-N 446.547 3.986 0 40 IHAB O=C(NCc1ccccc1Cn1ccnc1)c1cnn(-c2ccccc2F)c1-n1cccc1 24437701 QQLRSCDRVJKKFW-UHFFFAOYSA-N 440.482 3.977 0 40 IHAB Cc1c(C(=O)NCCc2ccc3c(c2)OCCO3)cnn1-c1ccc(Br)cc1 31354796 JSFXDKMIQQNJNO-UHFFFAOYSA-N 442.313 3.687 0 40 IHAB COc1ccc(OC)c(S(=O)(=O)Nc2nn(Cc3ccc(F)cc3)cc2Cl)c1 32610028 VTRFBEZQKFTHHN-UHFFFAOYSA-N 425.869 3.542 0 40 IHAB CC(=O)c1cccc(N2C(SCc3ccc(Cl)cc3)=N[C@H]3CS(=O)(=O)C[C@@H]32)c1 32639699 QJVLFELTPQBBMN-OALUTQOASA-N 434.970 3.818 0 40 IHAB COc1ccc(CNC(=O)c2sccc2N(C)S(=O)(=O)c2ccccc2)cc1OC 33141712 ZHNJOTWTVRBNKB-UHFFFAOYSA-N 446.550 3.520 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC(c3nnc(-c4ccc(F)cc4)o3)CC2)cc1 38904814 CRMOBZDTKYRHTM-UHFFFAOYSA-N 431.489 3.843 0 40 IHAB O=C(NCc1nnc2ccccn12)c1ccc(COc2cccc(Br)c2)o1 40143887 IMZATDODHFFBIO-UHFFFAOYSA-N 427.258 3.594 0 40 IHAB Cc1ccc([C@H](NS(=O)(=O)c2ccc(S(=O)(=O)C(F)F)cc2)C(F)(F)F)cc1 40155819 KCWRLHQAUFZNHM-AWEZNQCLSA-N 443.415 3.573 0 40 IHAB O=C(COc1coc(CN2CCN(c3cccc(Cl)c3)CC2)cc1=O)c1ccccc1 56949905 RZNULKHTMJDBCQ-UHFFFAOYSA-N 438.911 3.877 0 40 IHAB COCCn1cc(C(=O)NC[C@H](c2ccc(OC)cc2)c2c[nH]c3ccccc23)ccc1=O 58061810 FSHLRFGTJZEPSA-JOCHJYFZSA-N 445.519 3.547 0 40 IHAB Cc1nc(-c2cccc(Cl)c2)n(CC(=O)Nc2cccc(Cl)c2)c(=O)c1CCO 67301601 WKMSLRVRDATDET-UHFFFAOYSA-N 432.307 3.699 0 40 IHAB CCN1CC[C@]2(CCC1=O)C[C@H](NC(=O)C1=Cc3ccccc3OC1)c1ccccc1O2 72327848 PKZQEUFSZSPRBW-HFZDXXHNSA-N 432.520 3.874 0 40 IHAB Cc1cnc(C(=O)N2CCC[C@H]2c2nc(C)c3c(n2)N(CCc2ccccc2)CCC3)cn1 72373787 AFYZPVBFKPXAFX-QHCPKHFHSA-N 442.567 3.856 0 40 IHAB CC[C@H](NC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1)c1c(C)noc1C 95441558 MARBXBNHNJMRGQ-SFHVURJKSA-N 433.555 3.713 0 40 IHAB COC(=O)N1CCc2ccc(NS(=O)(=O)c3ccccc3OC(F)(F)F)cc2C1 96103699 LQRQUQVEMAVWTA-UHFFFAOYSA-N 430.404 3.511 0 40 IHAB CSc1cccc(N2C(=O)[C@@H]3N=NN(Cc4nc(-c5ccc(C)c(C)c5)no4)[C@H]3C2=O)c1 101892807 VJGFFWBKWLUTQT-RTBURBONSA-N 448.508 3.569 0 40 IHAB COC(=O)c1ccnc(N2CCCN([C@@H](C(=O)Nc3ccccc3)c3ccccc3)CC2)c1 106143642 NHMDQRXVLUJABL-XMMPIXPASA-N 444.535 3.760 0 40 IHAB O=C1CN(c2nc(-c3ccccc3)c3cc(Br)ccc3n2)[C@@H]2C=CC=C[C@H]2N1 107526535 QIFJOGLQNDMZEU-RTBURBONSA-N 433.309 3.859 0 40 IHAB Cc1ccc([C@@H]2c3c(-c4ccc(Br)cc4)nnc(O)c3Nc3nnnn32)cc1 112000090 CQPXRYPEQHNPKL-QGZVFWFLSA-N 436.273 3.601 0 40 IHAB CC[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N(c1cccc(OC)c1)S(C)(=O)=O 220622433 KBWDBOOBWPZAOC-QGZVFWFLSA-N 430.448 3.897 0 40 IHAB Cc1cccc(OCCNC(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)c1C 223950235 ROWDDYTWDDTWRB-UHFFFAOYSA-N 438.977 3.698 0 40 IHAB Cc1ccc(CN(C(=O)CCc2ccc3c(c2)OCCO3)[C@@H](C)C(=O)NCC(C)C)cc1 224203657 MJIVHLKJHPSZBZ-FQEVSTJZSA-N 438.568 3.888 0 40 IHAB COc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)c1 224573973 GBTDSCHJVZZZBS-UHFFFAOYSA-N 426.494 3.822 0 40 IHAB CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCc1ccc(OC)c(OC)c1 224625141 QVHQPPMRRYBCTB-OAQYLSRUSA-N 426.557 3.622 0 40 IHAB COc1ccc(N(CCCC(=O)NC(C)(C)CC(C)(C)C)S(C)(=O)=O)cc1OC 224730865 OMYMYQRXKQKVQW-UHFFFAOYSA-N 428.595 3.581 0 40 IHAB CCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc2c(c1)OCCO2 224809408 QJLSJFCHDVWRMF-KRWDZBQOSA-N 444.959 3.987 0 40 IHAB O=C1CC2(CCN(C(=O)c3ccc4c(c3)OCCO4)CC2)Oc2cc3c(cc21)CCCC3 225825900 AUQFLQYYOFJNLP-UHFFFAOYSA-N 433.504 3.977 0 40 IHAB S=C(NCc1ccccc1)Nc1nc(Cl)cc(N2CCN(c3ccccc3)CC2)n1 225929733 UEPGNDHQTSWLIJ-UHFFFAOYSA-N 438.988 3.943 0 40 IHAB Cc1cc(-c2cnc(C(C)C)nc2[C@H]2CC[C@H](CNC(=O)c3ccn(C)c(=O)c3)CC2)on1 257262689 LMKUGNYSBUQBGA-IYARVYRRSA-N 449.555 3.966 0 40 IHAB CCNC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)c2ccccn2)CC1 257296956 RFEMQZVTDHFBJR-UHFFFAOYSA-N 428.536 3.745 0 40 IHAB CCOc1ccc(COC)cc1CN1CCO[C@@H](c2cccc(Nc3ncccn3)n2)C1 257315912 VDFZSPLQLYHMHT-JOCHJYFZSA-N 435.528 3.734 0 40 IHAB COC(=O)c1c(NC(=O)c2ccc(I)cc2)sc2c1CCC2 315048715 XYQQLPZTMUUUAO-UHFFFAOYSA-N 427.263 3.880 0 40 IHAB Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)N1CCC(Cc2ccccc2)CC1 408533035 PILLRVDUXSBLAS-UHFFFAOYSA-N 444.597 3.542 0 40 IHAB CCc1cccc(C)c1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)c(OC)c2)C1 408553781 QLPGKEMLISCDKN-SFHVURJKSA-N 446.569 3.614 0 40 IHAB CCOC(=O)Nc1cc(S(=O)(=O)Nc2cccc(Br)c2)ccc1OC 408585901 KSAKFSJJPWKNIT-UHFFFAOYSA-N 429.292 3.827 0 40 IHAB Cc1ccc(NC(=O)CSc2nnc(CC(=O)Nc3ccccc3)n2C)cc1Cl 409334112 UAXBXIOVZZONJG-UHFFFAOYSA-N 429.933 3.689 0 40 IHAB O=C(Cc1ccccc1Br)N1CCC(c2nnc3ccc(C4CC4)nn23)CC1 1888913278 WHYIQTWMVRCDOF-UHFFFAOYSA-N 440.345 3.713 0 40 IHAB O=C1CO[C@]2(CCCN(Cc3cnc(-c4ccccc4)nc3)C2)CN1c1ccc(F)cc1 2037988753 HDBFMZUWKSPXOT-VWLOTQADSA-N 432.499 3.681 0 40 IHAB CCOC(=O)[C@](NC(=O)c1cccnc1)(Nc1cccc(C(F)(F)F)c1)C(F)(F)F 2257381 JISRWZNSSTYGFG-MRXNPFEDSA-N 435.324 3.764 0 40 IHAB O=C(NC1CCCCC1)N[C@H]1CO[C@@H]2[C@H](OC(=O)Nc3cccc4ccccc34)CO[C@H]12 4235416 PSAAKBUJZMRFHJ-DXBBTUNJSA-N 439.512 3.555 0 40 IHAB biogenic,in-vitro COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)N2Cc2ccccn2)cc1 6136676 UAUKPODKMFRXDK-NRFANRHFSA-N 448.454 3.596 0 40 IHAB C[C@@H]1CN(c2ccc(F)cc2)c2nc3c(c(=O)n(C/C=C/c4ccccc4)c(=O)n3C)n2C1 9243263 XSRNXQCXYQOXSY-RCMYXZNBSA-N 445.498 3.537 0 40 IHAB CCOc1ccc(-c2nnc(SCC(=O)N[C@H](C)c3cccc(Cl)c3)n2N)cc1 9465880 SRUGQWAOIOVGJS-CYBMUJFWSA-N 431.949 3.681 0 40 IHAB O=C(Nc1ccc(F)cc1)c1ccccc1NCC(=O)N1CCN(c2ccccc2)CC1 9492413 JRUSEXLOXBQMNT-UHFFFAOYSA-N 432.499 3.839 0 40 IHAB COc1ccc(C(C)=O)cc1CC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 9594556 NRRMCSAYPGOFFT-UHFFFAOYSA-N 425.510 3.525 0 40 IHAB O=C(CSc1ccc2nnc(-c3ccncc3)n2n1)Nc1ccccc1C(F)(F)F 9599844 ZHHMVBYEHMKCJJ-UHFFFAOYSA-N 430.415 3.936 0 40 IHAB CCn1c(-c2ccccc2)c(C(=O)COC(=O)CCC(=O)N2CCOCC2)c2ccccc21 9633174 QUIAGGQXWDZAMM-UHFFFAOYSA-N 448.519 3.693 0 40 IHAB O=C(NCc1ccccc1Cl)C1CCC(Cn2c(=O)[nH]c3ccsc3c2=O)CC1 9673473 FNEOBPUVKXIHQZ-UHFFFAOYSA-N 431.945 3.528 0 40 IHAB O=C(NC[C@H](c1cccs1)N1CCc2ccccc21)C(=O)Nc1ccc(F)cc1F 9708301 VBCPTBIIAJOHJT-LJQANCHMSA-N 427.476 3.885 0 40 IHAB C[C@H](C(=O)NCCSCc1ccccc1F)N(c1cccc(Cl)c1)S(C)(=O)=O 10281750 FMMSBZWJYQKKQS-CQSZACIVSA-N 444.981 3.683 0 40 IHAB CC(C)CNC(=O)c1ccccc1NC(=O)COC(=O)CCc1nc2ccccc2s1 10359960 XQTJAUMMIMOZHW-UHFFFAOYSA-N 439.537 3.797 0 40 IHAB Cc1cc(C)nc(Sc2ccc(NC(=O)CCN3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc2)n1 11286409 FXOUMHODGVXUAV-RTBURBONSA-N 438.553 3.748 0 40 IHAB CC[C@H](Oc1ccccc1F)C(=O)N[C@H](C)c1nc2cc(-c3ccc(OC)cc3)ncn2n1 12085109 CJPOUELVKXSOEI-QRWLVFNGSA-N 449.486 3.974 0 40 IHAB CCOc1ncc(C2(O)[C@H]3CCC[C@@H]2CN(Cc2cc(C)c(O)c(C)c2)C3)c(OCC)n1 12181084 LGBMGYUGTJEKGM-WPUZRXDDSA-N 441.572 3.716 0 40 IHAB COc1cc2cc(C(=O)NCCC(=O)Nc3nc4ccccc4s3)n(C)c2cc1OC 12325069 COCOFOFBRZGPFJ-UHFFFAOYSA-N 438.509 3.564 0 40 IHAB COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c(OC)c1OC 12608018 XMSPKCFJMJELGD-UHFFFAOYSA-N 440.418 3.820 0 40 IHAB CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)N(C)Cc1ccc(Cl)cc1Cl 12799279 FVLQNWQPXASTHE-QFIPXVFZSA-N 446.334 3.951 0 40 IHAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 12910367 CZLAEVIZQVIHDX-UHFFFAOYSA-N 441.406 3.994 0 40 IHAB CCOC(=O)C1=C(C)Nc2ccccc2N=C1NC(=O)/C=C/c1ccc(OC)cc1OC 13122077 BKFINEZYZMXQBP-ACCUITESSA-N 435.480 3.826 0 40 IHAB O=C(CCC(=O)N(CC(=O)NC1CCCC1)Cc1ccccc1Cl)Nc1nccs1 13501713 PGTVXMGXCJMVNE-UHFFFAOYSA-N 448.976 3.603 0 40 IHAB COc1ccc(-c2nnc3s/c(=C\c4ccc(Cl)cc4Cl)c(=O)n23)cc1OC 13547082 NHFCYLNUQZWMNO-PXNMLYILSA-N 434.304 3.690 0 40 IHAB CCOC(=O)Cc1csc(NC(=O)Cn2c(Cc3ccccc3)nc3ccccc32)n1 13726626 DWUJXYIXENJJAF-UHFFFAOYSA-N 434.521 3.828 0 40 IHAB COc1ccc([C@H](CNC(=O)Cc2c(C)nn(-c3ccccc3)c2C)N2CCCC2)cc1 14240684 SBWRMSIIAMDRSW-VWLOTQADSA-N 432.568 3.994 0 40 IHAB COc1ccc(S(=O)(=O)[C@@H](CNC(=O)COc2ccc(Cl)cc2)c2ccco2)cc1 15781098 IPBVBPRGUNIYOY-FQEVSTJZSA-N 449.912 3.652 0 40 IHAB COc1ccc(CNC(=O)CSc2nnc(-c3ccccc3F)n2C2CC2)cc1OC 16046195 USDCKSIVDVKCAR-UHFFFAOYSA-N 442.516 3.845 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1cccc(C(F)(F)F)c1 16188357 CWFHGFCTGZKAKI-UHFFFAOYSA-N 436.839 3.627 0 40 IHAB O=C(CN1CCN(c2ccccc2O)CC1)N1N=C(c2cccs2)C[C@H]1c1ccco1 16481396 FLXNPXLOOYRYSY-IBGZPJMESA-N 436.537 3.547 0 40 IHAB Cc1cccc2nc(CSc3nnc(CN4CCCC4)n3Cc3ccccc3)cc(=O)n12 16699572 OMLBITFNZCJQLY-UHFFFAOYSA-N 446.580 3.531 0 40 IHAB CC[C@@H](OC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1C)C2=O)C(=O)Nc1cc(C)on1 17230598 OEPLWWFNMRJVQU-LJQANCHMSA-N 447.447 3.666 0 40 IHAB Cc1nc(O)cc([C@H](Cc2c[nH]c3ccccc23)NC(=O)Cn2nc(C(F)F)cc2C)n1 19119223 NSIDLURKMVCIDZ-KRWDZBQOSA-N 440.454 3.515 0 40 IHAB O=C(NC(N1CCOCC1)(C(F)(F)F)C(F)(F)F)c1ccc(Cl)cc1Cl 19419484 ZIJNWDZXXVFEDN-UHFFFAOYSA-N 425.156 3.876 0 40 IHAB CC(C)c1cc(C(=O)N2CCC(c3cc(C(=O)NCc4ccc(F)cc4)on3)CC2)on1 19452810 AOPRPFURYSGUOD-UHFFFAOYSA-N 440.475 3.875 0 40 IHAB CCc1nccn1CC(=O)N1CCC[C@H]1c1nc(N(C)C)ncc1-c1ccc(Cl)cc1 19690118 GQQZJMGPZJMURA-IBGZPJMESA-N 438.963 3.986 0 40 IHAB Cc1cc(C)n(CC(=O)N2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2cccc(F)c2)n1 19694302 SLCSTAJOFLQVBD-OAQYLSRUSA-N 436.535 3.916 0 40 IHAB COc1ccccc1CNc1n[nH]c2nc([C@@H]3CCN(C(=O)c4ccccn4)C3)ccc12 19705036 NIHYTWWSKONIOT-QGZVFWFLSA-N 428.496 3.603 0 40 IHAB COc1cccc([C@@H]2CCCN2C(=O)Cn2cc(NC(=O)Cc3ccccc3F)cn2)c1 19749453 QZIQGNKGIITSMB-QFIPXVFZSA-N 436.487 3.576 0 40 IHAB CCOc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(F)cc2)cc1 20007983 RKFAQHIBNSWEKO-JOCHJYFZSA-N 442.512 3.753 0 40 IHAB O=C(NC1CCCCCCC1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 20008244 WHXQBEBAILITOX-JOCHJYFZSA-N 432.561 3.944 0 40 IHAB COC(=O)c1cccc(NC(=O)CN2c3ccccc3-c3ccccc3S2(=O)=O)c1C 20063217 CGZDEIDAJRKFDW-UHFFFAOYSA-N 436.489 3.596 0 40 IHAB COc1cc(C(C)=O)ccc1O[C@@H](C)C(=O)Nc1ccc(I)cc1 21572966 QOOPQDORGLSQBC-LBPRGKRZSA-N 439.249 3.908 0 40 IHAB Cn1cc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(=O)c2cc(F)ccc21 22236538 UXURNKZQZZFKTN-UHFFFAOYSA-N 433.405 3.659 0 40 IHAB Cc1ccc(Sc2ccc(NC(=O)CCn3cnc4c(cnn4C)c3=O)cc2)cc1C 22241465 UDTZBAAEIOOCSZ-UHFFFAOYSA-N 433.537 3.927 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(C)cc2)c2ccccc2F)cc1 22385430 MTPGFKJGHYRQEM-UHFFFAOYSA-N 442.512 3.654 0 40 IHAB O=C(Nc1ccc(F)cc1F)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 24610693 VVULFJDLBYWXBX-UHFFFAOYSA-N 428.888 3.799 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)N(C)CC(=O)Nc1ccccc1Br 24820232 JVCKFMRITOOVTO-UHFFFAOYSA-N 441.329 3.962 0 40 IHAB CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc4c(c3)OC3(CCCCC3)O4)ccc21 28791234 BCPFAVAEDZCVLB-UHFFFAOYSA-N 428.510 3.828 0 40 IHAB O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)c1ccccc1C(=O)c1ccc(F)cc1 30014964 ZQXFZZGLIYUTTC-QFIPXVFZSA-N 432.495 3.688 0 40 IHAB CC1=C[C@@H](CNC(=O)NCc2ccccc2)[C@H](C(C)C)C[C@H]1CC(=O)N1CCN(C)CC1 30880764 XDWWPMNXWIOXFG-HJOGWXRNSA-N 440.632 3.505 0 40 IHAB biogenic,in-vitro CCN1CCC[C@@H]1CNC(=O)c1nn(-c2ccccc2)c2c1Cc1cc(OC)c(OC)cc1-2 31816167 VKSOLCMJJQHHRB-LJQANCHMSA-N 446.551 3.675 0 40 IHAB C[C@@H](NC(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)c1cc2ccccc2o1 32745187 IXZSUQISAXIYHG-CQSZACIVSA-N 445.504 3.825 0 40 IHAB COC(=O)c1ccc(CN2CCN(Cc3nc4ccccc4n3Cc3ccccc3)CC2)o1 35598350 ZLCDUGXWKGLMQQ-UHFFFAOYSA-N 444.535 3.782 0 40 IHAB Cn1cc2c(C(F)(F)F)cc(=O)n(CCC(=O)Nc3ccc(C(F)(F)F)cc3)c2n1 36621481 NHBFJOUBHDVCBV-UHFFFAOYSA-N 432.324 3.801 0 40 IHAB C[C@@H]1C/C(=C/c2ccco2)c2nc3ccccc3c(C(=O)OCCN3C(=O)CNC3=O)c2C1 40071868 NATISNDHIXJCJQ-NWCRWOLESA-N 445.475 3.659 0 40 IHAB O=C(NCc1cccnc1OC1CCCC1)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 48231043 YEPBMRSVRXCEFB-FQEVSTJZSA-N 439.531 3.640 0 40 IHAB COc1ccc(OC)c(NC(=O)[C@H]2C[C@H](CC(C)C)N[C@]23C(=O)Nc2ccc(F)cc23)c1 57122059 MVKQPQCJCGLPGK-MBSHLRGSSA-N 441.503 3.653 0 40 IHAB CCOc1ccc([C@H]2NC(=O)NC(CN3CC=C(c4ccccc4)CC3)=C2C(=O)OC)cc1 57415350 PQIPTWRBXSSOBF-XMMPIXPASA-N 447.535 3.656 0 40 IHAB O=C(COc1ccc(C(F)(F)F)cc1)NCCC(=O)Nc1ccc(Br)cc1 58158705 AFLWWHDFFZIBPK-UHFFFAOYSA-N 445.235 3.992 0 40 IHAB CCn1c(SCC(=O)Nc2cccc(C(C)=O)c2)nnc1-c1ccc(NC(C)=O)cc1 59099207 AGBAYMBRUZRQKO-UHFFFAOYSA-N 437.525 3.857 0 40 IHAB CSCC[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)[C@]2(N1)C(=O)Nc1ccc(Cl)cc12 61719046 JOHRRPUZINTVMC-WJPUGNRLSA-N 433.936 3.996 0 40 IHAB COc1ccc(OC)c(-c2csc3ncc(C(=O)Nc4ccc(F)cc4F)c(=O)n23)c1 64788063 FQAUWBJDVDUNHC-UHFFFAOYSA-N 443.431 3.971 0 40 IHAB COc1cccc([C@H](C)NC(=O)Cn2c(=O)cc(-c3nc(C4CC4)no3)c3ccccc32)c1 67317981 KBBOIJLGEMPDPM-HNNXBMFYSA-N 444.491 3.815 0 40 IHAB O=C(C1CCN(c2cc(Oc3ccccc3)ncn2)CC1)N1CCN(c2ccccc2)CC1 71328229 NMKNYEFYBKRAEH-UHFFFAOYSA-N 443.551 3.834 0 40 IHAB COc1ccc(CN2C[C@@H]3CCCN3C[C@H]2CCSC)cc1Cn1nc(C)cc1C 72325144 VVVXBWZDZDRNKF-XZOQPEGZSA-N 428.646 3.959 0 40 IHAB Nc1ccc(C(=O)N2CC[C@H](c3cc(CCOc4cccc(C(F)(F)F)c4)[nH]n3)C2)cn1 72371686 HCQXTWMGWMVBFC-HNNXBMFYSA-N 445.445 3.657 0 40 IHAB CCCn1cc(S(=O)(=O)N2CCC[C@H]2c2cccc(Nc3nccs3)n2)c(C)n1 72375826 YTKAHSONHMPJJW-INIZCTEOSA-N 432.575 3.722 0 40 IHAB CCOc1ccc(C(=O)NCC(=O)N(C)Cc2c(C)nn(-c3ccccc3C)c2C)cc1 95954692 JOHLZYKALAIIIT-UHFFFAOYSA-N 434.540 3.585 0 40 IHAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)CN(C)Cc2nc(-c3cccnc3)no2)cs1 95966393 BYBKXUXLKJGHQT-UHFFFAOYSA-N 446.536 3.585 0 40 IHAB C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3ccc(F)c(Cl)c3F)cc2)C[C@H](C)O1 95986358 XOYSQKOOTCOMOP-RYUDHWBXSA-N 444.887 3.668 0 40 IHAB COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@H]3N3CCCN23)cc1 100795705 HTXFPJPGGJPTLZ-QRVBRYPASA-N 432.307 3.538 0 40 IHAB Cc1ccc(C(=O)COC(=O)c2ccccc2N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1 101228372 VFVQIDHBAPXDDK-HKXYFDBWSA-N 441.483 3.592 0 40 IHAB O=C(/N=c1\sccn1Cc1ccccc1Cl)c1cccc(N2CCCS2(=O)=O)c1 102840277 SJAXGOVWGKKWHV-XDOYNYLZSA-N 447.969 3.532 0 40 IHAB CCOc1cc(C)ccc1OCc1nnc(SCC(=O)NCc2ccccc2)n1C 107657303 FNZYYTKQTBIVIN-UHFFFAOYSA-N 426.542 3.510 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCCN3CCCC3)c(Cl)c2)cc1 216250308 WMQNFMDEKVAZSZ-UHFFFAOYSA-N 435.977 3.665 0 40 IHAB CC[C@H](NC(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 223037941 ZBLRSBXBZRGPCV-QFIPXVFZSA-N 430.570 3.608 0 40 IHAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1ccccc1 223407831 JPUHKCYJFUOVNN-XMMPIXPASA-N 434.511 3.981 0 40 IHAB S=C(NCC1(c2ccc(Cl)cc2)CCOCC1)Nc1ccc(N2CCOCC2)nc1 224017751 GXBBMZPJCBMTQS-UHFFFAOYSA-N 447.004 3.606 0 40 IHAB COCc1cccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccc(OC)c(OC)c2)c1 225189382 RSIKVUJMSFPQTI-ZHZULCJRSA-N 436.464 3.853 0 40 IHAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCCCc1ccc(C(C)C)cc1 225319351 BHTWBYCEXBCIKV-UHFFFAOYSA-N 446.613 3.751 0 40 IHAB CN(c1cccc(NC(=S)NCCCSCc2ccccc2F)c1)S(C)(=O)=O 225612410 JSQUSVGTIZGLLK-UHFFFAOYSA-N 441.619 3.831 0 40 IHAB COc1cc(/C=C/C(N)=O)cc(I)c1OCc1ccc(F)cc1 226335913 XSJKBIIIRDSHKA-QPJJXVBHSA-N 427.213 3.516 0 40 IHAB Cc1cc(Cc2cccc(C(F)(F)F)c2)cc([C@@H]2CN(C(=O)c3cnn(C)c3)CCO2)n1 257223702 DYOIOSZVOXZSQS-NRFANRHFSA-N 444.457 3.947 0 40 IHAB CC(C)Cc1cc(C(=O)N2CCC[C@](COc3cccc(Cl)c3)(CC(N)=O)C2)on1 257269022 MOFSUNBZXFJGEJ-QFIPXVFZSA-N 433.936 3.703 0 40 IHAB O=C(c1ccc(-n2cccn2)nc1)N1CCC[C@H](c2nccnc2Oc2ccccc2)C1 257307741 TTWYRKJSHAKRNG-IBGZPJMESA-N 426.480 3.869 0 40 IHAB CC[C@@H](Oc1ccccc1F)C(=O)N1CCC(c2cncc(Nc3cnccn3)n2)CC1 257332120 XVVQSTVFGYLRFL-LJQANCHMSA-N 436.491 3.713 0 40 IHAB CCN1CCN(C(=O)c2cccc(O)n2)C[C@@H](Cc2ccccc2-c2ccc(C)cc2)C1=O 257334396 YFSFTYOYJGUBLF-JOCHJYFZSA-N 443.547 3.926 0 40 IHAB CCOc1ccc(N([C@H](CC)C(=O)N[C@H](C)CCc2ccccc2)S(C)(=O)=O)cc1 260591748 LGXZLRZIUBGKJU-XMSQKQJNSA-N 432.586 3.767 0 40 IHAB Cc1ccc(N([C@H](C)C(=O)NCCOc2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1C 260890731 QRBMYMJUGSFSSB-QGZVFWFLSA-N 438.977 3.615 0 40 IHAB CC(C)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2ccccc2Br)cc1 408588547 GREGECAIFUGYDF-ZDUSSCGKSA-N 441.347 3.542 0 40 IHAB CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2OCC)c(Cl)c1 408635706 HNTCJCFPEHLGIX-UHFFFAOYSA-N 440.949 3.835 0 40 IHAB CC(=O)c1ccc(-c2ccc(/C=C3/NC(=O)N(CC(=O)Nc4cccc(C)c4)C3=O)o2)cc1 409100807 WUOWWLYZJRAWLA-FYJGNVAPSA-N 443.459 3.989 0 40 IHAB COc1cc(/C=C2/NC(=O)N(C)C2=O)c(Br)cc1OCc1ccc(F)cc1 409194669 QNDDZNBKDYPACE-VIZOYTHASA-N 435.249 3.698 0 40 IHAB CCOc1c(Cl)cc(/C=C2\SC(=O)N(CC(=O)NCCCOC)C2=O)cc1Cl 409208030 DXAPSQDMOYBKIH-ZROIWOOFSA-N 447.340 3.581 0 40 IHAB Cc1[nH]c(C(=O)N[C@@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)c(C)c1C(=O)OC(C)C 513505807 KZWFQODPVQJHMG-VQIMIIECSA-N 443.519 3.818 0 40 IHAB CCCN1CCN(C(=O)c2ncc[nH]2)C[C@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 585183651 ZDROUHUBFJCLPV-FQEVSTJZSA-N 434.515 3.769 0 40 IHAB O=C(NCC(=O)N1CCN(c2ccccc2)CC1)c1sc2cc(F)ccc2c1Cl 620923352 JPONGDCDUBUBET-UHFFFAOYSA-N 431.920 3.772 0 40 IHAB CCOc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(C(=O)O)(c4ccccc43)[C@H]2C1=O 849897 ANZGRBZHUYMSGD-XDJZYPBNSA-N 439.467 3.721 0 40 IHAB Cc1cccc(OCC(=O)Nc2sc3c(c2C(=O)NC[C@H]2CCCO2)CCC3)c1C 1100664 ZVRXCYPAYBYYEL-MRXNPFEDSA-N 428.554 3.780 0 40 IHAB COc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)c3cccc(C)c3)n2)cc1 1372841 ILHGTKFHIBMMCR-UHFFFAOYSA-N 442.479 3.548 0 40 IHAB CC1=C(C(=O)OC(C)C)[C@H](c2cccs2)n2c(s/c(=C/c3sccc3C)c2=O)=N1 2708967 FCBUCTYPTWVZRX-BXBHGGAKSA-N 444.603 3.618 0 40 IHAB Cc1ccc(-n2c(SCC(=O)NCCc3ccccc3)nc3c(c2=O)SCC3)cc1 2719772 LAKABZABDSBPFK-UHFFFAOYSA-N 437.590 3.640 0 40 IHAB O=c1cc(CSc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)nc2sccn12 3405724 DTDZAKRHYPWHSK-ZDUSSCGKSA-N 431.568 3.547 0 40 IHAB Cc1oc(-c2ccccc2)nc1C(=O)OCc1cc(=O)n2cc(Br)ccc2n1 3551138 KJOBKZWTYRCRSV-UHFFFAOYSA-N 440.253 3.777 0 40 IHAB COc1ccc2c(C)c(CC(=O)N[C@H](C)Cc3c[nH]c4ccccc34)c(=O)oc2c1OC 8878461 OLPJOVXNACHFSU-CQSZACIVSA-N 434.492 3.890 0 40 IHAB biogenic CCN1CCc2c([nH]c3ccccc23)[C@H]1c1c(O)nc(O)n(-c2ccccc2Cl)c1=O 8994471 HWVHYIZYMDYPJK-HXUWFJFHSA-N 436.899 3.746 0 40 IHAB CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1 9209261 WKPJKVJRTHFQPW-UHFFFAOYSA-N 441.475 3.808 0 40 IHAB CC(=O)c1cccc(N(CC(=O)NC(c2ccccc2)c2ccccc2)S(C)(=O)=O)c1 9227497 LZOIHVBSEPBCON-UHFFFAOYSA-N 436.533 3.561 0 40 IHAB Cc1nnc2n1N[C@@H](c1ccccc1)[C@H](C(=O)Nc1ccc(Br)cc1F)S2 9237942 JYKQDGQITFIVOY-JKSUJKDBSA-N 448.321 3.886 0 40 IHAB COc1cc(C)ccc1OCc1nnc(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)n1C 9304165 VNAHNLRXQLBSFE-CQSZACIVSA-N 437.525 3.801 0 40 IHAB C[C@@H](OC(=O)CCc1nc2ccccc2[nH]c1=O)C(=O)Nc1cccc(Cl)c1Cl 9372964 XWYALLCJQMKCJX-LLVKDONJSA-N 434.279 3.733 0 40 IHAB C[C@@H](NC(=O)COc1cccc(C(=O)NCc2ccccc2)c1)c1ccc2c(c1)OCCO2 9387918 XYTLIVUVADFOJI-GOSISDBHSA-N 446.503 3.644 0 40 IHAB CCOc1ccc2nc(NC(=O)CCNS(=O)(=O)c3ccc(C)c(C)c3)sc2c1 9514796 IYTBVQJMBHABEV-UHFFFAOYSA-N 433.555 3.619 0 40 IHAB O=C(CSc1nnc(NC[C@@H]2CCCO2)s1)Nc1nc(-c2ccccc2)cs1 9593495 BKPXTSKWQXDJQK-ZDUSSCGKSA-N 433.584 3.983 0 40 IHAB CCCCNc1nnc(SCc2cc(=O)n3cc(Br)ccc3n2)s1 9633962 YVEJYAXZOJGYSN-UHFFFAOYSA-N 426.365 3.813 0 40 IHAB CC1CCN(C(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc(F)cc2)CC1 9713636 ASXTUUISWIDBLE-UHFFFAOYSA-N 425.529 3.935 0 40 IHAB COc1ccc(NC(=O)c2cc(C3CC3)nc3ccccc23)cc1S(=O)(=O)N(C)C 9714381 NSZUSDKDOXDVFE-UHFFFAOYSA-N 425.510 3.623 0 40 IHAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O 9730311 LBYQPXQEXRNGHA-OYLFLEFRSA-N 448.548 3.599 0 40 IHAB COc1cc(CNc2ncc(-c3ccc4c(c3)OCO4)n2C)cc(Br)c1O 9805818 CLQNERHODUUYGP-UHFFFAOYSA-N 432.274 3.905 0 40 IHAB O=C(NCc1ccccc1Cl)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 10008714 RDUXTJRPMOJEFD-UHFFFAOYSA-N 434.989 3.631 0 40 IHAB Cc1ccc(CNC(=O)CN2C(=O)N(c3ccccc3C)S(=O)(=O)c3ccccc32)cc1 10273864 SEOLUWHQJNGLMO-UHFFFAOYSA-N 449.532 3.755 0 40 IHAB CC[C@H](C)c1ccccc1OCC(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 10587232 QBEZEKRFJBQBKE-ROUUACIJSA-N 437.540 3.801 0 40 IHAB Cc1cc(OCC(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)ccc1C(C)C 11449681 NFYMLSUVNNDOPY-UHFFFAOYSA-N 436.599 3.528 0 40 IHAB CCCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)cc1 12700149 JFHUPTSDGMUKII-UHFFFAOYSA-N 437.565 3.577 0 40 IHAB CCOc1ccccc1[C@@H](C(=O)NC1CCCCC1)N(C(=O)c1csnn1)C1CC1 12873218 GAOCTTGTUBNODW-FQEVSTJZSA-N 428.558 3.732 0 40 IHAB COC(=O)[C@H](CC(=O)c1ccc(OC)c(OC)c1)c1cc(=O)oc2c(C)c(OC)ccc12 12898870 COHASGAPJGYRNE-QGZVFWFLSA-N 440.448 3.657 0 40 IHAB biogenic Cc1cc(Br)ccc1NC(=O)CN(C)CC(=O)Nc1ccc(F)c(F)c1 13030287 CLTDMKGSHUGFRX-UHFFFAOYSA-N 426.261 3.545 0 40 IHAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1 13126719 PAZACWWEPJFIEH-OAQYLSRUSA-N 440.503 3.905 0 40 IHAB COc1ccc(Cn2nnnc2[C@H](C(C)C)N2CCN(c3cccc(C)c3C)CC2)cc1 13504889 ZFEYHNBNAPXNDM-DEOSSOPVSA-N 434.588 3.866 0 40 IHAB O=C(NCC(=O)N(c1ccccc1)[C@H](C(=O)NC1CCCC1)c1ccccc1)c1ccco1 13506822 RMEPXLXRKSIZAR-DEOSSOPVSA-N 445.519 3.843 0 40 IHAB COc1ccc2[nH]cc(CCNC(=O)CCN3C(=O)S/C(=C\c4ccccc4)C3=O)c2c1 13572002 MLYIMNIDAIJADH-BKUYFWCQSA-N 449.532 3.962 0 40 IHAB CCOc1cc(CNC[C@H](O)c2ccccc2)ccc1Oc1nnnn1-c1ccccc1 13729639 KXWNFKZXOZMYDP-NRFANRHFSA-N 431.496 3.677 0 40 IHAB Cc1coc2c(C)c3oc(=O)c(CCC(=O)N4CCN(c5ncccn5)CC4)c(C)c3cc12 13733986 LXPGXCLNXDLWDB-UHFFFAOYSA-N 446.507 3.536 0 40 IHAB COCCCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)c1ccncc1 13736328 UOKABJFTDHDBKR-UHFFFAOYSA-N 441.553 3.930 0 40 IHAB COc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1 16147221 ICHGLLOZPGSMKP-UHFFFAOYSA-N 442.493 3.766 0 40 IHAB Cc1ccc(CSCCNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 17603487 OWYQPBWNOIMZQQ-UHFFFAOYSA-N 432.611 3.833 0 40 IHAB Cc1csc(C(=O)N2CCC[C@H](c3nn(C)cc3-c3ccnc(N4CCCC4)n3)C2)c1 19124518 FPYFLVZATDNLNQ-KRWDZBQOSA-N 436.585 3.867 0 40 IHAB O=C(C1CC1)N1CCCc2cc([C@H](O)CN3CCC(O)(c4ccc(F)cc4)CC3)ccc21 19332966 SVWKEKLZZWAMQW-XMMPIXPASA-N 438.543 3.532 0 40 IHAB Cc1c(CN2C[C@H](C(=O)N(C)C)[C@@H](c3ccnc(N4CCCCC4)n3)C2)[nH]c2ccccc12 19565937 QBTFYRCQSILKBM-SFTDATJTSA-N 446.599 3.560 0 40 IHAB COc1ccc(CC(=O)N(C)C2CCC3(CC2)CN(C)Cc2ccccc2O3)cc1OC 19590852 TZMDWJQXESFCCC-UHFFFAOYSA-N 438.568 3.911 0 40 IHAB CCOc1ccc(-c2nc(CSc3nc4c(=O)[nH]c(C)nc4n3C)c(C)o2)cc1OC 19625895 HPABXSZOVHFBKO-UHFFFAOYSA-N 441.513 3.628 0 40 IHAB biogenic,in-vitro Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ncc(C(=O)N3CCCCC3)c(C)n2)cc1C 19756109 OXWFKQVOSWHZAN-NRFANRHFSA-N 442.585 3.554 0 40 IHAB COc1cc(C)ccc1CN1CC[C@H](c2cc(C(=O)N(C)CCO)c3ccccc3n2)C1 19761879 NWARITJOMSREPN-IBGZPJMESA-N 433.552 3.606 0 40 IHAB COc1cc(OC)cc(C(=O)Nc2nc(-c3ccc4c(c3)NC(=O)[C@H](C)O4)cs2)c1 19796547 OQVQWFJVGIXRPF-NSHDSACASA-N 425.466 3.799 0 40 IHAB COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3C)C2)cc1Cl 19857992 SGYOMQANTITDJJ-MRXNPFEDSA-N 436.961 3.838 0 40 IHAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc(O)n2CCc2ccccc2)c1C 21369569 ANBFGNYRDDOSHF-HNNXBMFYSA-N 442.541 3.712 0 40 IHAB O=C(c1ccc(C2SCCS2)cc1)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 23786997 DOFQTZWDOSTYRW-UHFFFAOYSA-N 442.606 3.894 0 40 IHAB O=C(c1cccc(Oc2ccccc2)c1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 23818644 YTWLBVRKHMUOEJ-UHFFFAOYSA-N 446.532 3.506 0 40 IHAB COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(C(=O)c3cccs3)CC2)cc1 24672543 KGRCJBMOXZHYLE-JOCHJYFZSA-N 435.549 3.895 0 40 IHAB CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccc2ncccc12 26045973 OQPQWPUIRQBPOD-UHFFFAOYSA-N 438.553 3.728 0 40 IHAB O=C(CCn1cnc2ccccc2c1=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 27131522 OOEPBHRTZXWLDL-UHFFFAOYSA-N 449.514 3.956 0 40 IHAB CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc(OCc2ccncc2)cc1 29832730 IYRTZLHGSHTXSZ-UHFFFAOYSA-N 429.398 3.789 0 40 IHAB COCCN1C(=O)c2ccccc2[C@@H](C(=O)N2CCN(c3ccccc3)CC2)C12CCCC2 32088701 RUJREFILPOVIAW-DEOSSOPVSA-N 447.579 3.534 0 40 IHAB Cn1cnnc1Sc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 32674257 GJHWCPMYMUMJFT-LBPRGKRZSA-N 445.907 3.750 0 40 IHAB C[C@@H](NC(=O)CSc1nnc(COc2ccc(F)cc2)o1)c1ccc2c(c1)OCCO2 32719051 VWQDSVLTVZJMMP-CYBMUJFWSA-N 445.472 3.528 0 40 IHAB C[C@H]1CN(C(=O)c2cc(S(=O)(=O)N(C)c3ccc(F)cc3)ccc2Cl)C[C@H](C)O1 34858856 YNSAWRRUGSATTC-KBPBESRZSA-N 440.924 3.554 0 40 IHAB CCOc1ccc(N([C@H](C)C(=O)N[C@H](CC)c2ccc(OC)cc2)S(C)(=O)=O)cc1 38751826 IEBRMLCAKSEBFX-IIBYNOLFSA-N 434.558 3.516 0 40 IHAB O=C(Cc1csc(Cc2ccccn2)n1)N1CCN(Cc2ccc(Cl)cc2)CC1 40130473 XPXCLTRNXUJUAL-UHFFFAOYSA-N 426.973 3.669 0 40 IHAB COc1cccc([C@@H]2CC(O)=Nc3c2c(C)nn3-c2ccc3nncn3n2)c1OC(C)C 40288474 IELSSDAKPNWOMY-HNNXBMFYSA-N 433.472 3.538 0 40 IHAB COc1ccccc1NC(=O)N1CCC(CNS(=O)(=O)c2ccccc2Cl)CC1 43962036 ABGFPNQGOWSKEP-UHFFFAOYSA-N 437.949 3.571 0 40 IHAB CC(C)Cn1c(=O)c2sccc2n(CC(=O)Nc2cc(Cl)cc(Cl)c2)c1=O 57486109 UMYPKGIGCGHVPF-UHFFFAOYSA-N 426.325 3.826 0 40 IHAB CN1CCCN(c2ccc(CNC(=O)c3ccccc3OCc3ccc(F)cc3)cn2)CC1 58184277 GSJXOCMTRLABNJ-UHFFFAOYSA-N 448.542 3.872 0 40 IHAB Cc1nc([C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)nc2c1CCC(=O)N2CC1CC1 72371127 WYCXTQAYIZYFAV-LJQANCHMSA-N 436.531 3.562 0 40 IHAB Cc1noc(C)c1S(=O)(=O)N1CCCC[C@@H]1c1nc(N)ncc1-c1ccc(Cl)cc1 72377231 GPIYSTGCJFPZBE-QGZVFWFLSA-N 447.948 3.900 0 40 IHAB Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N(C)[C@@H]1CCC[C@@H]1S(C)(=O)=O 78879481 HPMBFDPHFLZFPM-CVEARBPZSA-N 442.990 3.722 0 40 IHAB COc1cc(/C=C\C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc(OC)c1OC 96585556 IERCZRRDSOPUCB-KKMIYCERSA-N 425.481 3.861 0 40 IHAB Cc1cc2nccc([C@H]3CC[C@H](CNC(=O)c4ccccc4Cn4cccn4)CC3)n2n1 100159410 IQYNBXWDPHGULX-BGYRXZFFSA-N 428.540 3.986 0 40 IHAB CCC(=O)N1CCc2nc3cc([C@H]4CCCCN4Cc4csc(C)c4)nn3c(O)c2C1 100234015 CSBWHRZLIYVQKQ-HXUWFJFHSA-N 439.585 3.827 0 40 IHAB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1)c1ccc(Cl)cc1 100560966 OMSTXPQIPSXPFQ-PBFVBANWSA-N 435.863 3.691 0 40 IHAB CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)ccc1O 101112607 UIBYGIRRCNPPCR-ZRBLBEILSA-N 430.460 3.842 0 40 IHAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1nc2ccc(Oc3ccccc3)cc2s1 102288699 CFWORMHLUNYBFJ-CALCHBBNSA-N 433.489 3.978 0 40 IHAB O=C(CSC(=S)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2)Nc1cccc(Cl)c1 113482387 JMECQACYUWGAIW-ZIAGYGMSSA-N 433.986 3.578 0 40 IHAB CC(C)COC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccccc2)cc1 138646388 DZBBASMZYHINMZ-UHFFFAOYSA-N 440.496 3.790 0 40 IHAB CN(CCCNC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1)c1ccccc1 218800040 UXWYSTBKDXKPFA-UHFFFAOYSA-N 443.594 3.830 0 40 IHAB COC(=O)c1ccccc1NC(=O)[C@H](C)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 220428081 ACSVJDKMZWDXJD-NSHDSACASA-N 445.324 3.573 0 40 IHAB C[C@@H]1Cc2ccccc2N1C(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1 222627113 ZOIQFVMPZDQVCQ-QGZVFWFLSA-N 428.554 3.654 0 40 IHAB CC[C@@H](C(=O)n1cc(C(=O)OC)c2ccccc21)N(c1cccc(C)c1)S(C)(=O)=O 222633574 LAGGWYKROVCOCX-IBGZPJMESA-N 428.510 3.621 0 40 IHAB CN(Cc1ccccc1F)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 222713111 CWGHSECSRYWLPJ-UHFFFAOYSA-N 446.475 3.803 0 40 IHAB CS(=O)(=O)N(CC(=O)NCc1ccc2ccccc2c1)c1cccc(C(F)(F)F)c1 222760513 XGFBSGXZFWLZQA-UHFFFAOYSA-N 436.455 3.941 0 40 IHAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(OC)cc1 223405186 HYOOKMVPNGSFJX-OAQYLSRUSA-N 430.520 3.935 0 40 IHAB CCOc1ccc(-c2noc(CN(C)S(=O)(=O)Cc3c(F)cccc3Cl)n2)cc1 223632774 MDOOWFAICPTRAM-UHFFFAOYSA-N 439.896 3.890 0 40 IHAB CCCc1ccc(OCCNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1 224099638 SPSYEUIGFVEXAB-UHFFFAOYSA-N 444.597 3.931 0 40 IHAB O=C(NCC1=CCCCC1)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 224357300 WNADXMTUGBMDJR-UHFFFAOYSA-N 428.957 3.638 0 40 IHAB CC[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N(c1ccccc1F)S(C)(=O)=O 224889329 FIMOKBXJIQURKZ-OAHLLOKOSA-N 434.411 3.908 0 40 IHAB CSc1ccc(S(=O)(=O)NCc2ccc(-n3ccnc3)cc2)cc1NC(=O)C(C)C 225033004 QGXDNJZIJZQBHN-UHFFFAOYSA-N 444.582 3.667 0 40 IHAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCc1ccc2c(c1)OCO2 225376996 ZQVYHQKBCYSMDX-ROUUACIJSA-N 440.540 3.689 0 40 IHAB CC(C)NC(=S)Nc1nc(Sc2ncccn2)cc(N2CCc3ccccc3C2)n1 225889347 RWTQOXALAYGUQZ-UHFFFAOYSA-N 437.598 3.675 0 40 IHAB Cc1nccn1-c1cccc([C@H]2CCCN2C(=O)COc2ccc(CN3CCCC3)cc2)n1 257249124 JGXAEOZRKXBTBA-XMMPIXPASA-N 445.567 3.914 0 40 IHAB O=C(CCc1c[nH]c2ccccc12)N1CCO[C@@H](c2cccc(Nc3ncccn3)n2)C1 257256566 KMAJFPUVVPKJHR-OAQYLSRUSA-N 428.496 3.629 0 40 IHAB Fc1ccccc1CN1CCN(CC2CC2)[C@H](c2cn3c(N4CCOCC4)cccc3n2)C1 306125328 CMQXTYVLPAIPQA-DEOSSOPVSA-N 449.574 3.579 0 40 IHAB O=C(NCCN1CCCCC1)c1nc([C@H]2CCCN2C(=O)c2ccccc2)n2ccccc12 306141179 VNLUUPZEMPZRKE-JOCHJYFZSA-N 445.567 3.527 0 40 IHAB CC1(C)[C@H]2CC[C@]1(C)C(=O)N(c1cccc(S(=O)(=O)Nc3ccc(F)cc3)c1)C2=O 408723170 ZSTSSIPPRRYTJC-PGRDOPGGSA-N 430.501 3.942 0 40 IHAB O=C1c2ccccc2C(=O)N1CN(C(=O)c1ccco1)c1ccccc1Br 408840356 BAFACCAYFMPLDC-UHFFFAOYSA-N 425.238 3.943 0 40 IHAB Cc1c(CC(=O)N2CCCC3=C[C@H]4C[C@@H](CN5CCCC[C@H]45)[C@@H]32)c(=O)oc2cc(O)ccc12 100788621 CYCFHTMRVZWAHH-FDSOGDARSA-N 448.563 3.771 0 40 IHAB biogenic CS(=O)(=O)c1ccc(C(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 3441303 JEZRXLJFOATXGE-UHFFFAOYSA-N 449.572 3.878 0 40 IHAB CCOc1ccccc1-n1nnc(-c2nsc(NC(=O)c3ccc(OC)cc3)n2)c1C 20597803 NQAWHAQSVJAEGH-UHFFFAOYSA-N 436.497 3.754 0 40 IHAB CCOc1ccc(CCN2C(=O)[C@@H](C(=O)O)[C@H]3C[C@@]2(C)Oc2ccccc23)cc1OCC 101345043 PBDBDEWPQZIOMJ-KDSXSNECSA-N 439.508 3.852 0 40 IHAB O=C(CCCc1cccs1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 8862115 WLNUCEORNWXCIX-UHFFFAOYSA-N 442.972 3.619 0 40 IHAB Brc1ccccc1-c1nn2c(COc3ccc4c(c3)OCO4)nnc2s1 20732110 QVMDEOGAYWPYBM-UHFFFAOYSA-N 431.271 3.923 0 40 IHAB Cc1cc(C(=O)CSc2nccn2C)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O 9315355 LBYCWPPHNHDIMO-UHFFFAOYSA-N 435.553 3.600 0 40 IHAB CCOc1ccc(NC(=O)COC(=O)[C@@H](C)SCC(=O)Nc2ccc(C)cc2)cc1 9465128 KQLJJBQPNQCCGZ-MRXNPFEDSA-N 430.526 3.636 0 40 IHAB Cc1ccc2c(c1)CCCN2[C@@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 32797223 KGENYLWKXOIYMS-HNNXBMFYSA-N 435.977 3.679 0 40 IHAB C[C@@H](OC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)C(=O)c1ccc(F)c(F)c1 14901875 MBVCNJNNLCJARQ-CQSZACIVSA-N 447.459 3.601 0 40 IHAB COc1ccc(NS(=O)(=O)c2c(C)nc3sc4ccccc4n3c2=O)cc1Cl 21147912 VSLWVHPNAWHMMC-UHFFFAOYSA-N 435.914 3.680 0 40 IHAB COc1ccccc1CNC(=O)CSc1nc(-c2ccccc2Br)n[nH]1 2626969 WYNYMLKQTKUCSM-UHFFFAOYSA-N 433.331 3.651 0 40 IHAB O=C(c1ccccc1OCc1ccc(Cl)cc1)N1CCC[C@H](C(=O)N2CCOCC2)C1 23315434 MRAWUGNWSIDRGK-IBGZPJMESA-N 442.943 3.630 0 40 IHAB Cc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1S(=O)(=O)N1CCCCCC1 33787200 HPLJYAALPGBUFM-UHFFFAOYSA-N 440.521 3.918 0 40 IHAB O=C(CSc1ccc2c(c1)OCCO2)N1CCN(Cc2nc3ccccc3s2)CC1 23883282 SDQZOGDAKRMFCN-UHFFFAOYSA-N 441.578 3.504 0 40 IHAB COC(=O)c1ccccc1OS(=O)(=O)c1cc(Cl)cc(Br)c1OC 24228830 MTXCXLFNZYXQIJ-UHFFFAOYSA-N 435.679 3.665 0 40 IHAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)N[C@@H](C)CCc3ccccc3)CC2)cc1 24609319 IOFYEPXMFNZZHJ-FQEVSTJZSA-N 428.598 3.674 0 40 IHAB COC(=O)c1ccccc1NC(=O)Nc1ccccc1OCc1cc(=O)n2ccccc2n1 21156599 PHCBXNHPQLVAFO-UHFFFAOYSA-N 444.447 3.704 0 40 IHAB COc1ccc(NC(=S)NC(=O)COc2cccc(C)c2)cc1-c1ccc(CO)o1 20153698 ZZDBWUSMGJXGLT-UHFFFAOYSA-N 426.494 3.648 0 40 IHAB COc1ccc(N(Cc2cccs2)C(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)cc1 12568745 ZTLUPUJZILJBDG-HJPURHCSSA-N 441.553 3.791 0 40 IHAB Cc1ccc(S(=O)(=O)c2nnn3c2nc(NCCCOC(C)C)c2ccccc23)cc1 57524014 HDFZJQNUSFVFEV-UHFFFAOYSA-N 439.541 3.646 0 40 IHAB CCN(CC(=O)N[C@H](C)c1ccc(SC)cc1)S(=O)(=O)c1ccc(Cl)cc1 20014115 VAHFDJUTDCKHQA-CQSZACIVSA-N 426.991 3.950 0 40 IHAB Cc1cc(C)c2c(NC(=O)c3cc(F)cc(F)c3)c(C(=O)N3CCOCC3)sc2n1 12632449 JLLRYEOOPFPZDE-UHFFFAOYSA-N 431.464 3.916 0 40 IHAB CC[C@@H](Sc1nc(O)c(Cc2ccccc2)c(=O)[nH]1)C(=O)Nc1ccc(C(C)=O)cc1 10076987 PBWNWVMNPXJGQL-LJQANCHMSA-N 437.521 3.778 0 40 IHAB CC(C)c1cc(C(=O)Nc2cccc(OCCS(C)(=O)=O)c2)c2cnn(C(C)C)c2n1 58161230 ROSAHCKTYXCGJJ-UHFFFAOYSA-N 444.557 3.811 0 40 IHAB COc1ccccc1OCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1 12814876 DUDMKPYXAUTZDA-UHFFFAOYSA-N 432.542 3.586 0 40 IHAB Cc1ccc([C@H](C)NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2Cc2ccco2)cc1 67299684 KACVXZDHTSYXKQ-INIZCTEOSA-N 436.537 3.952 0 40 IHAB O=C(c1ccc(-c2ccccc2F)o1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 13027948 KLDJVBDVNFTACT-SFQUDFHCSA-N 440.496 3.844 0 40 IHAB C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3cccc4c3O[C@H](C)[C@@H]4C)cc2)C[C@@H](C)O1 13126924 OHFOYVMLLSKEPX-VVLHAWIVSA-N 444.553 3.621 0 40 IHAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)N(CCc1ccccc1)Cc1cccs1 7287484 QLOFPBQIQDUCBK-UHFFFAOYSA-N 425.554 3.574 0 40 IHAB COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)cc1Cl 15656632 TXULCFDSAVOCTB-UHFFFAOYSA-N 444.887 3.666 0 40 IHAB CCN(CC)C(=O)c1ccccc1NC(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 408680997 VJTFUHJXJNQPDP-UHFFFAOYSA-N 445.585 3.662 0 40 IHAB COc1cc(-c2nc(CC(=O)Nc3ccc4c(c3)OCCO4)cs2)cc(OC)c1OC 13724315 JNTUUGOMPOOCKI-UHFFFAOYSA-N 442.493 3.788 0 40 IHAB COC(=O)c1ccccc1NC(=O)CSc1nccn2nc(-c3ccc(OC)cc3)cc12 16954728 YYIUVIWQJSFLCN-UHFFFAOYSA-N 448.504 3.922 0 40 IHAB COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccc(Cl)cc2)c(OC)c1 6461714 WYNWXUJOSDIHGE-LJQANCHMSA-N 425.876 3.876 0 40 IHAB Cc1cccc(NC(=O)Cn2c(=O)c(=O)n(Cc3ccccc3)c3ccc(Cl)cc32)c1 15982118 XDBCBKPAGWGXLS-UHFFFAOYSA-N 433.895 3.812 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3ccccc3Cl)CC2)cc1 14252972 GBCGGRYQLNZJGN-HNNXBMFYSA-N 436.961 3.627 0 40 IHAB CCCc1noc(-c2ccnc(-n3cnc(C(=O)N[C@@H](C)c4ccc(OC)cc4)c3)c2)n1 71768481 SGCQGMPJBKUBSS-HNNXBMFYSA-N 432.484 3.769 0 40 IHAB COc1ccccc1CN(C)C(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1 9593205 OKOMLAYRVYRGSM-UHFFFAOYSA-N 430.551 3.507 0 40 IHAB COc1ccc(C2=NN(C(=O)Cn3cnc4cc(F)ccc4c3=O)[C@H](c3ccco3)C2)cc1 9516389 IJEYNIUOMRZJKI-NRFANRHFSA-N 446.438 3.515 0 40 IHAB CCCCCCNS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)cc1 8816090 BEQOAYKRTWCJOF-GOSISDBHSA-N 449.617 3.665 0 40 IHAB O=C(COC(=O)/C=C/c1cc(Br)ccc1F)Nc1cccc2nsnc12 19077841 UELZOIXZPOAWBI-QPJJXVBHSA-N 436.262 3.788 0 40 IHAB C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1ccc(Br)cc1 9094832 CXNNVJKHXWODGB-ZDUSSCGKSA-N 433.327 3.908 0 40 IHAB Cc1cccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(Cc3ccc(Cl)cc3)c(=O)n2C)c1 9110064 TZQNHLISEPTYMI-MRXNPFEDSA-N 449.942 3.695 0 40 IHAB Cc1ccc2c(CC(=O)Nc3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)coc2c1 9430919 ZGJQBUAMCKSIKS-IRXDYDNUSA-N 442.537 3.720 0 40 IHAB O=C(CSc1ccccc1C(=O)Nc1ccc(-n2cnnn2)cc1)Nc1ccc(F)cc1 9461698 FUJVRMJQZDRQJR-UHFFFAOYSA-N 448.483 3.785 0 40 IHAB Cc1ccc(CN(C(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)[C@H]2CCS(=O)(=O)C2)o1 9431349 DKZZBVKHPOLIBC-SJORKVTESA-N 439.961 3.841 0 40 IHAB COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)C[C@H]1C(=O)Nc1ccc(C(C)=O)cc1 19819100 HHVBBIFQHZYEHH-LJQANCHMSA-N 440.883 3.981 0 40 IHAB COc1ccccc1C(=O)Nc1nc(-c2nnn(-c3cc(C)ccc3OC)c2C)ns1 9638989 RPARGIPFMRIKJX-UHFFFAOYSA-N 436.497 3.672 0 40 IHAB Cc1cc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2N)n(-c2ccccc2)n1 9725929 ZQMWIYVCMSSRPW-UHFFFAOYSA-N 439.932 3.537 0 40 IHAB O=C(CSc1nc2ccccc2s1)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 9714413 XQVRVIWSGPWXHP-MRXNPFEDSA-N 432.592 3.604 0 40 IHAB O=C(Nc1ncc(Cc2ccccc2)s1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 9823919 USBXNSGODQAHLI-IBGZPJMESA-N 445.541 3.665 0 40 IHAB C[C@@H]1CCN(C(=O)CNc2cccc(S(=O)(=O)N3CCCC3)c2)c2ccccc2S1 9876611 KYZPUBXJDGSNED-QGZVFWFLSA-N 445.610 3.801 0 40 IHAB CN1CC[C@@H]2CCN(c3nc(CN4CCOCC4)nc4scc(-c5ccccc5)c34)[C@@H]2C1 95466034 PAONISKTPOCKSH-TZIWHRDSSA-N 449.624 3.721 0 40 IHAB CCOC(=O)Nc1ccc2c(COC(=O)[C@](C)(O)[C@@H](C)c3ccccc3)cc(=O)oc2c1 95407053 PXYJHCBYBUCPGB-IZHWHUGBSA-N 439.464 3.959 0 40 IHAB CC(C)C[C@H](C(=O)N[C@H](C)Cc1nc2ccccc2s1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 78714522 BQNWWMSIFUQHFF-VXIBKDFQSA-N 439.581 3.709 0 40 IHAB CC(C)(C)CC(=O)OC1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 78822632 PZJWQZKZGFFOED-UHFFFAOYSA-N 446.407 3.667 0 40 IHAB Cc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccccc3Br)c2C)cc1F 67322351 DYAZVEFLVOFPOQ-UHFFFAOYSA-N 446.280 3.688 0 40 IHAB O=C(Nc1cccc(-c2nn3cnnc3s2)c1)c1cccc(I)c1 21124671 CJLVNHHVKFVYPA-UHFFFAOYSA-N 447.261 3.710 0 40 IHAB COc1cccc(-c2ccc3nc([C@@H]4CCCN(C(=O)Cc5ccco5)C4)nn3c2)c1OC 306144619 ZKHOAZIPMIGHFF-GOSISDBHSA-N 446.507 3.955 0 40 IHAB O=S(=O)(c1ccccc1)c1nnn2c1nc(N1CCc3ccccc3C1)c1ccccc12 67262616 AGYSJAGNRRYAOU-UHFFFAOYSA-N 441.516 3.673 0 40 IHAB Cc1cccc(C)c1N1C[C@H](C(=O)Nc2ccc(I)cc2)CC1=O 408643295 RCKIYFYVSXEZQG-CQSZACIVSA-N 434.277 3.900 0 40 IHAB COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)ccc1OC(F)F 409364560 YLWREBZCZVTIBA-YBEGLDIGSA-N 440.468 3.591 0 40 IHAB CSc1ccccc1NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1C 408591968 MSKHPPUCWVPQRJ-UHFFFAOYSA-N 434.583 3.909 0 40 IHAB CN1CCC(Nc2n[nH]c3nc([C@H]4CCCN4C(=O)Cc4ccc(F)cc4)ccc23)CC1 72374524 GDADMPQISJLPDM-OAQYLSRUSA-N 436.535 3.509 0 40 IHAB CCn1c(Cc2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1ccccc1F 408637163 GHPYZUPBEPRKFQ-UHFFFAOYSA-N 430.505 3.776 0 40 IHAB CC(=O)c1ccc(N2CCN(C(=O)c3sc4nc5c(cc4c3N)CCCC5)CC2)cc1 215757947 MJFCPPKHYDHBOL-UHFFFAOYSA-N 434.565 3.922 0 40 IHAB CCN1CCN(C(=O)Cc2cccc(OC)c2)[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O 72351881 VSGUNMSDYYRBHB-RUZDIDTESA-N 443.547 3.602 0 40 IHAB CCc1c(C)sc2ncn([C@@H]3CCCN(C(=O)Cc4ccccc4OC)C3)c(=O)c12 72347734 OQEXAIHDYHYPKP-QGZVFWFLSA-N 425.554 3.744 0 40 IHAB CSc1nnc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)s1 223992588 KGUUWCNWSHDLCD-UHFFFAOYSA-N 434.568 3.930 0 40 IHAB Cc1ccc(N([C@@H](C)C(=O)NCc2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1C 222621228 CPVXKXYRGBIUDX-HNNXBMFYSA-N 428.476 3.793 0 40 IHAB Cc1cc2nc(CSc3nnc(NC(=O)Nc4ccc(C)c(F)c4)s3)cc(=O)n2o1 41089670 ZLZGRVSVXJZIIA-UHFFFAOYSA-N 446.489 3.831 0 40 IHAB O=C(NCc1cccnc1-c1ccsc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 225647134 CMPJFTICZYPJNP-UHFFFAOYSA-N 427.551 3.525 0 40 IHAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccc(OC)c(OC)c1 223031008 GNAWSWRPEPVYJL-HSZRJFAPSA-N 446.547 3.632 0 40 IHAB CC[C@H](C(=O)NCc1ccc(Cl)cc1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O 222501679 BLWQIYJYAZAJEQ-QGZVFWFLSA-N 433.332 3.994 0 40 IHAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CCc1ccc2c(c1)OCCO2 223752610 ICOMYWKCVKUYAI-LJQANCHMSA-N 436.552 3.867 0 40 IHAB COc1ccc(-c2coc3c4c(cc(O)c3c2=O)OC(=O)C[C@@H]4c2cnn(C)c2C)cc1 85877085 KWQYNBIKZXLACB-OAHLLOKOSA-N 432.432 3.657 0 40 IHAB biogenic CCCC[C@H](CC)CNC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 223994929 MBTMZVGLMMVKRD-AVRDEDQJSA-N 430.570 3.976 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@H](C)N(c2cccc(C)c2)S(C)(=O)=O)cc1Cl 220148741 XHEZSKNHLAOATE-AWEZNQCLSA-N 438.933 3.618 0 40 IHAB Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)N(C)Cc3ccccc3F)cc2)c1 222689654 PQEUMZIMSWJDBK-UHFFFAOYSA-N 442.512 3.972 0 40 IHAB CN(c1ccc(F)cc1)S(=O)(=O)c1cccc(C(=O)NCCCN2CCCCCC2)c1 224173659 MOKLSXYYURCIGC-UHFFFAOYSA-N 447.576 3.647 0 40 IHAB CC[C@@H](C(=O)NCCCc1ccccc1)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 220751561 QNNXEYTXYHQRMM-IBGZPJMESA-N 438.977 3.642 0 40 IHAB O=C(Nc1cnc(N2CCN(c3ccccn3)CC2)nc1)Nc1ccc(F)c(Cl)c1 77196681 GEEGXKJNOUVIHM-UHFFFAOYSA-N 427.871 3.635 0 40 IHAB CCCNC(=O)Cc1c(C)nc([C@H]2CCCN(C(=O)[C@@H](C)c3ccc(C)cc3)C2)nc1C 257256206 KKMIVVDQNRMJPB-AVRDEDQJSA-N 436.600 3.980 0 40 IHAB O=C(CN1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1)Nc1ccc(Br)cc1 257335964 YMPFKVWGBZVHPB-UNMCSNQZSA-N 445.357 3.838 0 40 IHAB Cc1ccc(NC(=O)c2cccc([C@H]3CCCN3C(=O)CCCn3nc(C)cc3C)n2)nc1 257307298 SYBOPRABQQGOBX-JOCHJYFZSA-N 446.555 3.995 0 40 IHAB COc1ccc([C@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1 260621928 PWJZKEYTBASKFR-RDJZCZTQSA-N 436.961 3.627 0 40 IHAB COc1ccc2c(c1)OCCN(C(=O)c1cccc(NC(=O)[C@@H]3Cc4ccccc4O3)c1)C2 670138110 MZAUPBFPJZJWPT-DEOSSOPVSA-N 444.487 3.672 0 40 IHAB COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N(C)Cc1ccccc1N1CCOCC1 12606238 BIQQGRVKJPPFGV-QGZVFWFLSA-N 431.964 3.953 0 40 IHAB CCc1ccc(N(CC(=O)NC2CCCCC2)C(=O)CCC(=O)Nc2ccccn2)cc1 13501333 PLPBZLLBGLHERR-UHFFFAOYSA-N 436.556 3.845 0 40 IHAB CC(C)(C)NC(=O)[C@@H](c1ccccc1)N(C(=O)CNC(=O)c1cccs1)C1CCCC1 13564452 YDARQFCRJWUEOT-OAQYLSRUSA-N 441.597 3.905 0 40 IHAB Cn1c(SCCN2CCCC2)nnc1C1CCN(C(=O)Cc2cccc(Cl)c2)CC1 13565121 BYEKCZVEQCSIIO-UHFFFAOYSA-N 448.036 3.605 0 40 IHAB CCOC(=O)c1cccc(NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)c1C 13674710 CDKSPMZJQVZLOY-UHFFFAOYSA-N 440.521 3.730 0 40 IHAB CCOc1cc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)ccc1O 18101362 UIBYGIRRCNPPCR-VJBWXMMDSA-N 430.460 3.842 0 40 IHAB O=C(NCCO)c1sc2ccccc2c1[C@H]1CN(Cc2cccc3cccnc23)CCO1 19697639 HRHQCIPMSBHADE-HXUWFJFHSA-N 447.560 3.745 0 40 IHAB O=C(Cn1cc(/C=C2\NC(=S)N(c3ccccc3)C2=O)c2ccccc21)N1CCCCC1 3642011 UZUAQLJSQNIUQK-QNGOZBTKSA-N 444.560 3.916 0 40 IHAB Cc1nn(C)c(C)c1CN1CCC2(CCCCc3ccccc3OC[C@@H](C)NC2=O)CC1 643561874 CVLRKLOIFKJFKL-LJQANCHMSA-N 438.616 3.929 0 40 IHAB CC(=O)N1CCCCCCCN(CCC(C)C)Cc2cc(C(=O)NCCCO)ccc21 643572353 BMNGPKKRCUQLIG-UHFFFAOYSA-N 431.621 3.964 0 40 IHAB COc1ccc(CC(=O)N2CCC[C@@H]([C@@H]3C[C@H](C(F)F)n4nc(C)cc4N3)C2)cc1OC 19128005 CFTZUJMZZNHJMC-FGTMMUONSA-N 448.514 3.680 0 40 IHAB CCOc1ccc(CCC(=O)N2CCC[C@@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)cc1 19533098 ZMHTWQFEZHKBHW-NZSAHSFTSA-N 433.503 3.539 0 40 IHAB O=C1C2(CCCC13COC(c1ccc(O)cc1)OC3)COC(c1ccc(O)cc1)OC2 3166885 NLGLVEBOSFSJHD-UHFFFAOYSA-N 426.465 3.615 0 40 IHAB C[C@@]1(C2CCN(Cc3ccc(OCC(=O)O)cc3)CC2)CN(Cc2ccccc2)C(=O)O1 1848356904 OXBFMRLQSGYGKS-VWLOTQADSA-N 438.524 3.773 0 40 IHAB Cc1cnc(Nc2cccc([C@@H]3CN(S(=O)(=O)c4ccc(F)c(C)c4)CCO3)n2)s1 2037834591 SZWLOQYUKUALAH-SFHVURJKSA-N 448.545 3.800 0 40 IHAB CCOc1ccccc1C(=O)Nc1nnc(SCC(=O)N2CCc3ccccc32)s1 9391061 KSKAFPNLVDEWJE-UHFFFAOYSA-N 440.550 3.871 0 40 IHAB O=C(OCc1cc(-c2ccc(F)cc2)on1)c1ccc(S(=O)(=O)N2CCCC2)cc1 11613665 AHTZYSWNOGZQMR-UHFFFAOYSA-N 430.457 3.622 0 40 IHAB O=C(NCCCS(=O)(=O)N1CCc2ccccc2C1)c1ccc(-c2ccccc2)cc1 16849398 QEXCQYMFRSCPFQ-UHFFFAOYSA-N 434.561 3.862 0 40 IHAB Cc1ccccc1-c1noc(Cn2c(=O)n(-c3ccccc3C)c(=O)c3sccc32)n1 48986972 RAVZTHCZWYWOAA-UHFFFAOYSA-N 430.489 3.929 0 40 IHAB COc1ccccc1NC(=O)N1CCC(CNC(=O)C2(c3ccc(F)cc3)CC2)CC1 49523768 RUGMJTJAHPJRLT-UHFFFAOYSA-N 425.504 3.926 0 40 IHAB O=C1CCc2cc(S(=O)(=O)N3CC=C(c4c[nH]c5cc(F)ccc45)CC3)ccc2N1 40116302 VFSMJBPYZSAWAS-UHFFFAOYSA-N 425.485 3.670 0 40 IHAB CCOc1ccc(NC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2C)cc1 890182 HGMAUFUUVPJVDL-UHFFFAOYSA-N 428.514 3.629 0 40 IHAB COc1ccc(C2=NN(C(=O)CCCC(=O)O)[C@H](c3cc(OC)ccc3OC)C2)cc1 907742 DRPOVSPJJKXTFA-FQEVSTJZSA-N 426.469 3.645 0 40 IHAB COc1cc(NC(=O)c2ccccc2I)c(OC)cc1NC(C)=O 3145255 CEBUGEGWVXTYGW-UHFFFAOYSA-N 440.237 3.519 0 40 IHAB O=S(=O)(N[C@@H]1CCCC[C@H]1N1CCN(C2CCCCC2)CC1)c1ccc(Cl)cc1 20441724 KSXFVFBADVPBKS-FGZHOGPDSA-N 440.053 3.880 0 40 IHAB CCn1c(COc2ccccc2OC)nnc1SCC(=O)Nc1ccc(OC)cc1 6878365 ZOLOXVJCOKFNRX-UHFFFAOYSA-N 428.514 3.625 0 40 IHAB CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCc2nccn2C(F)F)c1 11337349 NDKBVJJECQETJZ-UHFFFAOYSA-N 435.452 3.850 0 40 IHAB C[C@H](NC(=O)CN1C(=O)[C@@H](C)N(c2ccc(F)cc2)C1=O)c1ccc(Br)cc1 21268537 SILRDHYVZKQFAU-QWHCGFSZSA-N 448.292 3.623 0 40 IHAB Cc1ccc(Cl)cc1N([C@@H](C)C(=O)NCCSCc1ccccc1)S(C)(=O)=O 10370903 BPKPKJQWNZKGRJ-INIZCTEOSA-N 441.018 3.853 0 40 IHAB C[C@H]1CCc2c(sc3ncnc(Sc4nnc5n(C)c(=O)c6ccccc6n45)c23)C1 32899484 WAZWXGVFQRLOBR-NSHDSACASA-N 434.550 3.862 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=S)Nc1ccc(Br)cc1 9126993 QCVFPVPSHYPYLY-UHFFFAOYSA-N 428.377 3.817 0 40 IHAB CCOCCCN(CC(F)(F)F)C(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 32925857 KTNLKJOFZGFYJC-UHFFFAOYSA-N 425.451 3.554 0 40 IHAB O=C1CN(C(=O)COC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)c2ccccc2N1 2632381 NZCVURURQGBXHT-UHFFFAOYSA-N 448.862 3.713 0 40 IHAB COc1ccc(CNC(=O)C2CCN(c3cc(Oc4ccccc4)ncn3)CC2)c(OC)c1 33311952 JPOHYULQKQXJED-UHFFFAOYSA-N 448.523 3.819 0 40 IHAB Cc1cc(C)n2nc(SCC(=O)N3N=C(c4ccco4)C[C@@H]3c3cccs3)nc2n1 29807804 KYNVMKHUNWTKLM-OAHLLOKOSA-N 438.538 3.866 0 40 IHAB O=C(Nc1nc2c(s1)CCCCC2)c1cccc(S(=O)(=O)NCC(F)(F)F)c1 22326079 STXWQRBSMHEGAY-UHFFFAOYSA-N 433.477 3.505 0 40 IHAB O=C(CSc1nnc(CN2CCCCC2)n1-c1ccc(F)cc1)NCc1cccs1 12136593 CSDVTXVLSGFDOP-UHFFFAOYSA-N 445.589 3.862 0 40 IHAB Cc1cccc(C)c1N(CN1C(=O)c2ccccc2C1=O)CN1C(=O)c2ccccc2C1=O 1094586 LGISEMRRSROXPQ-UHFFFAOYSA-N 439.471 3.617 0 40 IHAB O=C(O)Cc1ccc(NC(=S)NC(=O)c2cc(Br)ccc2Cl)cc1 20152011 MYXHFSSBAVETNF-UHFFFAOYSA-N 427.707 3.856 0 40 IHAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccn(Cc3c(Cl)cccc3Cl)n2)cc1 27916422 QFCIPNYZZFZRHU-UHFFFAOYSA-N 439.324 3.997 0 40 IHAB CC(C)N1[C@@H](Cc2ccccc2OCc2ccccn2)[C@H](O)c2ccccc2S1(=O)=O 35379721 CJCHDBNRZMVCFL-XUZZJYLKSA-N 438.549 3.718 0 40 IHAB COc1ccccc1Cn1c(SCC(=O)NCCC(C)C)nc2ccsc2c1=O 57425598 LVCUADTWXGASRE-UHFFFAOYSA-N 431.583 3.769 0 40 IHAB O=C(Cn1cccc(-c2nc(-c3ccc(Cl)cc3)no2)c1=O)NCCc1ccccc1 57511305 KZHIKTPBNQHVPD-UHFFFAOYSA-N 434.883 3.578 0 40 IHAB CNC(=O)c1cccc(NC(=O)N[C@H]2CCN(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)n1 108479942 OMAFYZQCQUQKKF-QFBILLFUSA-N 433.915 3.579 0 40 IHAB O=C(COc1cc(Cl)ccc1Cl)NC[C@H](O)COc1cccc(C(F)(F)F)c1 60065521 OROCFKZZZNPTNK-ZDUSSCGKSA-N 438.229 3.947 0 40 IHAB CCN(CC)C(=O)c1cccc(NS(=O)(=O)c2ccc(OC)c(Br)c2)c1 12508085 NFTHYNVFEJNVKU-UHFFFAOYSA-N 441.347 3.741 0 40 IHAB CCOC(=O)c1cc(C(C)C)sc1NC(=O)COC(=O)/C=C/c1ccc(O)c(OC)c1 10218500 BAUGGAQBDPTYPC-VQHVLOKHSA-N 447.509 3.958 0 40 IHAB CCCc1cc(=O)oc2cc(C)cc(O[C@H](C)C(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)c12 2111024 QGXFHCQDCFOODI-RAWGQGSESA-N 427.541 3.975 0 40 IHAB biogenic O=C(COC(=O)c1cccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)c1)Nc1ccc(Cl)cc1 408654288 GDPPVCSIDNRHLV-KDURUIRLSA-N 440.883 3.815 0 40 IHAB CCOC(=O)c1c(NC(=O)COC(=O)c2cccnc2Cl)sc2c1CC[C@@H](C)C2 3309599 NNBBVOAMJFMYOR-LLVKDONJSA-N 436.917 3.894 0 40 IHAB O=C(COc1cccc(F)c1)NCCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O 12767557 RLANWPOARYKHJS-YVLHZVERSA-N 434.876 3.711 0 40 IHAB CCCCOC(=O)c1cccc(NC(=O)CCC(=O)OCC(=O)Nc2ccccc2)c1 408660077 KSQMAASOELHXJS-UHFFFAOYSA-N 426.469 3.544 0 40 IHAB O=C(N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)c1ccc2c(c1)OCCO2 48285562 JFYNGXPTUCREBZ-KRWDZBQOSA-N 434.414 3.570 0 40 IHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@H]2CCN(Cc3ccccc3)C2)nc1 48362518 UVVOTHYDDUZDBR-NRFANRHFSA-N 436.581 3.983 0 40 IHAB CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)NCCSCc2cccs2)c1 12868431 HVKAZHHFQJJPKD-UHFFFAOYSA-N 433.020 3.751 0 40 IHAB O=C(OCc1cc(=O)n2c(n1)sc1ccccc12)c1ccc(OC[C@H]2CCCO2)cc1 3430301 QBZZPPFCKNDDHY-GOSISDBHSA-N 436.489 3.824 0 40 IHAB Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)OCC(=O)N4CCC(C)CC4)cc3C2=O)c1 3471897 OCRBXBGDQVPOHE-UHFFFAOYSA-N 434.492 3.519 0 40 IHAB O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1cc(Br)ccc1Cl 12999231 GBPYUDAUSALBPM-UHFFFAOYSA-N 429.723 3.796 0 40 IHAB COC(=O)c1ccc(C)c(NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)c1 3555971 OUUHDYAOMLUVOU-UHFFFAOYSA-N 427.460 3.792 0 40 IHAB CC(C)Oc1ccccc1NC(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O 113965352 PKKDADNIQIZBRN-UHFFFAOYSA-N 426.485 3.937 0 40 IHAB COc1cccc(-c2ccc3nc([C@@H]4CCCN(Cc5cnn(C)c5)C4)nn3c2)c1OC 306132177 LAXANGJXHGJGNR-LJQANCHMSA-N 432.528 3.527 0 40 IHAB O=C(CCCN1C(=O)c2ccccc2C1=O)N[C@H]1CCCc2c1cnn2Cc1ccccc1 24931888 AHJCKLKEZLSKIS-QFIPXVFZSA-N 442.519 3.501 0 40 IHAB Cc1cc(C)c(N(CC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)c(C)c1 22401672 LFEIJVKVFNHVAM-IBGZPJMESA-N 430.570 3.796 0 40 IHAB CCn1c(Cc2ccc(OC)c(OC)c2)nnc1SCC(=O)c1ccc(OC)cc1 408637488 LCFUQGUSFOCLRI-UHFFFAOYSA-N 427.526 3.890 0 40 IHAB Cc1ccc([C@@]23CCC(=O)N2[C@H](C(=O)Nc2ccc4c(C)cc(=O)oc4c2)CS3)cc1 9509599 WCBBGLPOSVFRTK-CYFREDJKSA-N 434.517 3.939 0 40 IHAB Cc1c(C(=O)Nc2ccc(S(=O)(=O)N(C)C3CCN(C)CC3)cc2)oc2ccccc12 9125449 DGVRYZQSEFWJOJ-UHFFFAOYSA-N 441.553 3.708 0 40 IHAB COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1c1ncnc2sc3c(c12)CCC3 9112211 BHCAGKILAQMHTK-INIZCTEOSA-N 439.537 3.864 0 40 IHAB COCCCNC(=O)c1c(N)n(-c2ccc(C(F)(F)F)cc2)c2nc3ccccc3nc12 9193071 XQXWAWWJSWJRRD-UHFFFAOYSA-N 443.429 3.941 0 40 IHAB c1ccc(-n2ncc3c(Nc4ccc5c(c4)OCO5)nc(NC[C@@H]4CCCO4)nc32)cc1 9573625 PBMGFTGRLYELKI-KRWDZBQOSA-N 430.468 3.879 0 40 IHAB O=C1c2ccccc2S(=O)(=O)N1CCSc1nc2c(n1-c1ccccc1)CCCC2 9594639 HBEVBWFIBFLTPG-UHFFFAOYSA-N 439.562 3.688 0 40 IHAB O=C1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)C(c2ccccc2)c2ccccc2)CC1 9493555 ZCBCDKSYFABXOM-RUZDIDTESA-N 440.543 3.738 0 40 IHAB COc1cccc(OC)c1OC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 9487031 KYVGFWNMAUWBLR-UHFFFAOYSA-N 427.478 3.748 0 40 IHAB O=C(Nc1ccc(F)c(F)c1)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 19860468 JPIGTBMWFXSASA-CQSZACIVSA-N 428.888 3.799 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1 9507157 HOCINNMBZXIEMC-HXUWFJFHSA-N 432.542 3.527 0 40 IHAB COc1ccc([C@H](CNC(=O)COc2cc(C)c(Cl)c(C)c2)N2CCOCC2)cc1 19902207 YWSICKMQDUXZCS-NRFANRHFSA-N 432.948 3.534 0 40 IHAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1c3ccccc3OC[C@@H]1c1ccccc1)C2=O 9614211 NZYCISGFBVWNRH-FLPMJASOSA-N 433.508 3.654 0 40 IHAB CC(C)(C)NC(=O)NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 9664411 RNPPLVJSCDPSHB-UHFFFAOYSA-N 447.948 3.956 0 40 IHAB COc1ccc(Br)c(C(=O)O)c1NS(=O)(=O)c1cccc(Cl)c1C 72301094 XBSHSGYTGQQPNO-UHFFFAOYSA-N 434.695 3.919 0 40 IHAB COC(=O)[C@H](Cc1c[nH]c2ccc(Br)cc12)NC(=O)c1ccc(F)c(C)c1 72306772 KVSUODGPOYXNLG-SFHVURJKSA-N 433.277 3.892 0 40 IHAB Nc1cc(CCCNS(=O)(=O)c2ccc(Cl)c3ncccc23)nn1-c1ccccc1 95348528 AVRFELGTJDIMQK-UHFFFAOYSA-N 441.944 3.567 0 40 IHAB Cc1cc(C)nc(-n2cc(C(=O)Nc3ccc(-n4ccc(C(=O)O)n4)cc3)c(C(C)C)n2)n1 95425272 RNZQGYNDVMXDCP-UHFFFAOYSA-N 445.483 3.539 0 40 IHAB COc1ccc([C@H](NC(=O)CSc2nnnn2-c2cccc(F)c2)c2ccccc2)cc1 9909025 FERXJFRGFBFPOC-JOCHJYFZSA-N 449.511 3.808 0 40 IHAB Cc1ccc(-n2ncc(C(=O)NCCCCN3C[C@H](C)O[C@@H](C)C3)c2C(F)(F)F)cc1 79050786 BEPVHIQTVICKTK-IRXDYDNUSA-N 438.494 3.819 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(SC)c3)CC2)cc1 23652149 XPAXFTRDYFZWNZ-UHFFFAOYSA-N 434.583 3.847 0 40 IHAB CCC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(Cl)c1 20006452 VJWBNAFZCYZTIU-BEFAXECRSA-N 438.977 3.543 0 40 IHAB CCOc1cc(/C=C2/NC(=O)NC2=O)cc(Br)c1OCc1cccc(C)c1 409041966 LOKYRQFYCUFJFT-CXUHLZMHSA-N 431.286 3.916 0 40 IHAB CCOc1ccc([C@H](C)NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1OCC 38753567 SGZUQDRVTQWDME-INIZCTEOSA-N 432.542 3.650 0 40 IHAB O=C(c1cccc(-c2noc(C(F)(F)F)n2)c1)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F 552476554 ZGEDWGLRSZFBAJ-XJKSGUPXSA-N 439.340 3.982 0 40 IHAB CCn1ccc(C(=O)N2CCC[C@H]2c2nc(C)c3c(n2)N(CCc2ccccc2)CCC3)n1 72372913 NTUACBZKOFZMCB-QHCPKHFHSA-N 444.583 3.974 0 40 IHAB CC(=O)NCc1cnc([C@@H]2CCCN2C(=O)COc2ccc(F)cc2)cc1C(F)(F)F 72356213 UWUNGRBTHYTZDC-IBGZPJMESA-N 439.409 3.618 0 40 IHAB Cc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(Br)c(C)c2)cc1 138604020 GPSNHURHKWBIKR-UHFFFAOYSA-N 433.302 3.967 0 40 IHAB COc1ccc(NC(=O)[C@H](C)Sc2nnc3c(=O)n(-c4ccc(C)c(C)c4)ccn23)cc1 64593614 GBIGFCVJQQOKFP-INIZCTEOSA-N 449.536 3.625 0 40 IHAB COc1ccc(OC)c(NC(=O)[C@H](C)SCc2nc3sc4c(c3c(=O)[nH]2)CCC4)c1 40040704 MUDDKZRKROQPBY-NSHDSACASA-N 445.566 3.751 0 40 IHAB COc1ccccc1OCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 223930565 SJXPNUIAOFYNKK-UHFFFAOYSA-N 440.521 3.613 0 40 IHAB CC1(C)C[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c2ccccc2O1 225471612 SNSWUBXGYOIVRN-FQEVSTJZSA-N 428.554 3.506 0 40 IHAB O=S(=O)(Cc1cccc(Br)c1)NCc1nc(-c2ccccc2Cl)no1 223655848 COMHWVXPWHBACI-UHFFFAOYSA-N 442.722 3.772 0 40 IHAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)COc1cc(OC)cc(OC)c1 223122852 HXZQRLYOIHTVDD-DLBZAZTESA-N 446.519 3.554 0 40 IHAB Cc1nc(N2CCC(NC(=O)c3ccc(Br)o3)CC2)cc(C(F)(F)F)n1 225726607 SPFGVYUYXGWIGZ-UHFFFAOYSA-N 433.228 3.558 0 40 IHAB COc1ccc(CN(C(=O)CCc2ccc(OC)c(OC)c2)[C@@H](C)C(=O)NC(C)C)cc1 225678647 XMOREWXCCQDDJK-SFHVURJKSA-N 442.556 3.587 0 40 IHAB CCN(Cc1ccc(C(=O)NCc2ccc(OC)cc2)cc1)S(=O)(=O)c1ccccc1 224445463 RGRRQNANFRUZSU-UHFFFAOYSA-N 438.549 3.836 0 40 IHAB CCOC(=O)CN(c1ccc(Cl)c(C(=O)OC)c1)S(=O)(=O)c1ccc(Cl)cc1 224717485 WQZSELYHTXMUNK-UHFFFAOYSA-N 446.308 3.538 0 40 IHAB CC[C@@H](C(=O)NCCOc1ccccc1C(C)C)N(c1cccc(C)c1)S(C)(=O)=O 223802139 ULAOFKXIZSJPIQ-NRFANRHFSA-N 432.586 3.858 0 40 IHAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 223450882 CDKGYCKVOMCRDT-QGZVFWFLSA-N 428.554 3.756 0 40 IHAB CCOC(=O)N1CCN(C(=O)c2ccc(OCC)c(COc3cccc(OC)c3)c2)CC1 224592178 LQCQKZKIPQMKDB-UHFFFAOYSA-N 442.512 3.587 0 40 IHAB O=c1sc2cc(S(=O)(=O)NCc3ccccn3)ccc2n1Cc1ccccc1Cl 225798904 UDORGJGXXBISJI-UHFFFAOYSA-N 445.953 3.638 0 40 IHAB COC(=O)c1cn(C(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)c2ccccc12 222592030 GQHOYRCXQGEKCP-CYBMUJFWSA-N 434.901 3.576 0 40 IHAB CCCCNC(=O)c1ccccc1NC(=O)CCCN(c1ccccc1F)S(C)(=O)=O 225868826 DRFOZYIBGLIPPR-UHFFFAOYSA-N 449.548 3.541 0 40 IHAB C[C@H](C(=O)NCCOc1ccc2ccccc2c1)N(c1ccc(Cl)cc1)S(C)(=O)=O 223600312 AOERMXSEXWIFCV-MRXNPFEDSA-N 446.956 3.843 0 40 IHAB CCOC(=O)c1cccc(NC(=S)NCc2nc(-c3ccc(OC)cc3)no2)c1C 225824243 PWGOYZQFIWNOCR-UHFFFAOYSA-N 426.498 3.717 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccccc2)c2ccccc2F)cc1 223590678 PDEBTUMBYRGQOP-UHFFFAOYSA-N 442.512 3.525 0 40 IHAB CCCN(CCOC)C(=O)[C@@H]1C[C@@]2(CO1)c1ccccc1CN2Cc1cccc(OC)c1 96143961 CSBJNEYONGOKBK-AZGAKELHSA-N 438.568 3.580 0 40 IHAB Cc1ccc(-c2nc(-c3noc4ccc(C(=O)NCCCN5CCOCC5)cc34)co2)cc1 96037819 RGALNBHXPLYFPY-UHFFFAOYSA-N 446.507 3.910 0 40 IHAB Cc1nnc(NC(=O)[C@H](C)Sc2ccc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)O)cc2)s1 245226225 LFKPGRILDNNERB-KNXALSJPSA-N 446.554 3.571 0 40 IHAB CC(C)(C)C(=O)NC[C@](O)(c1ccccn1)[C@H]1CCCN(Cc2ccc(F)c(F)c2)C1 257201417 AHQLHOFDFITKKU-MHECFPHRSA-N 431.527 3.622 0 40 IHAB Cc1c(C(=O)N2CCC[C@H](c3ncc(Cc4ccccc4)o3)C2)sc2ncn(C)c(=O)c12 257216193 CTNGJEOUMUUVPG-KRWDZBQOSA-N 448.548 3.902 0 40 IHAB COc1ccc(S(=O)(=O)N(C)c2cc(C(=O)N[C@H]3C[C@H]4CC[C@H]3C4)ccc2C)cc1 260561377 CLCMBLYCEBGXIV-FIKGOQFSSA-N 428.554 3.747 0 40 IHAB Cc1nnc(-c2ccccc2NC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)o1 642517667 HPQXRTXQSLLAHL-UHFFFAOYSA-N 445.456 3.675 0 40 IHAB Cc1nc(-c2ccc(C(=O)N3C[C@H]4CC[C@H]3[C@@H]3CN(Cc5ccccc5)C[C@H]43)cc2)n[nH]1 656419115 SWVNXCCGCVRFKY-YCAMKHIRSA-N 427.552 3.763 0 40 IHAB O=C1NCCN(C(=O)CCCOc2cccc(F)c2)[C@@H]1Cc1cccc(-c2cccnc2)c1 585168986 BRQYQWWXBABZDV-XMMPIXPASA-N 447.510 3.616 0 40 IHAB CCOC(=O)C1(Cc2cc(-c3ccccc3C)no2)CCN(C(=O)[C@H]2CCCO2)CC1 72394006 SKVQTSLRWOQQTA-OAQYLSRUSA-N 426.513 3.543 0 40 IHAB Cc1cc(C(F)F)n2nc(C(=O)N3CCC(c4onc5c4C[C@H](C)CC5)CC3)nc2n1 72392450 FIFDZQDHWBZCRC-LLVKDONJSA-N 430.459 3.503 0 40 IHAB COc1cccc2c1O[C@@]1(C)C[C@H]2[C@@H](S(=O)(=O)c2ccc(C(C)(C)C)cc2)C(=O)N1C 169779822 XKDNXXJYFDUKEZ-JLGINSKQSA-N 443.565 3.890 0 40 IHAB O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccn(S(=O)(=O)c2ccccc2)c1 13585736 AAXPDZDENRAOMH-UHFFFAOYSA-N 430.429 3.545 0 40 IHAB CC[C@H](C(=O)Nc1cccc(Br)c1)N(c1ccc(C)cc1)S(C)(=O)=O 13713087 YLGGVEQHWCLXSS-QGZVFWFLSA-N 425.348 3.941 0 40 IHAB Cc1ccc2c(c1)C(=O)CC1(CCN(CC(=O)c3ccc(N4CCCC4=O)cc3)CC1)O2 19218338 PSHFZPGPGRTRQJ-UHFFFAOYSA-N 432.520 3.805 0 40 IHAB COc1ccccc1-c1ccc(C[C@@]2(C(=O)NC(C)C)CCN(C(=O)c3cc[nH]n3)C2)cc1 19449344 PWAWGOBDSUSJHG-SANMLTNESA-N 446.551 3.685 0 40 IHAB CCNC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CCCN(C(=O)c2c(C)noc2C)C1 19528573 UBMKOZAEKKMKRX-SANMLTNESA-N 446.551 3.955 0 40 IHAB COc1ccc(CN(Cc2cnc(N3CCCCC3)nc2)C[C@H]2CCCO2)cc1OC 19560738 LBDDCKOUYQEYTL-OAQYLSRUSA-N 426.561 3.665 0 40 IHAB Cc1nc(CC(=O)N2CCCC[C@@H]2c2nc(C)c3c(n2)N(CC(C)C)C(=O)CC3)cs1 19740794 SHXQEWFZQQEDHB-LJQANCHMSA-N 441.601 3.781 0 40 IHAB Cc1ccc2oc(C(=O)N3CCCC[C@H]3c3ncc(C(=O)N4CCOCC4)c(C)n3)cc2c1 19765664 RQSBDSZLRMLIHF-FQEVSTJZSA-N 448.523 3.679 0 40 IHAB NC(=O)CSc1ccccc1NC(=O)CN1CCc2sccc2[C@H]1c1cccs1 35349168 LZQXPZRORUVDLV-NRFANRHFSA-N 443.619 3.973 0 40 IHAB COc1ccc2cc(C(=O)Nc3nc(CCC4CCCC4)n[nH]3)sc(=O)c2c1OC 1547208769 CTVKZFILFJZUJL-UHFFFAOYSA-N 428.514 3.772 0 40 IHAB O=C(NCCn1nc(-c2ccc(F)cc2)ccc1=O)C(c1ccccc1)c1ccccc1 9660901 QLTZAIYIJGFSHJ-UHFFFAOYSA-N 427.479 3.998 0 40 IHAB COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(OC)cc3)n2-n2cccc2)cc1 9738056 WVVBISGHQYTGEQ-UHFFFAOYSA-N 449.536 3.730 0 40 IHAB O=C1[C@@H]2[C@H](C(=O)N1c1ccc(Cl)cc1)[C@@H](c1ccc(Br)cc1)N1CCCN21 19171391 GFGPRNILPLHTFB-KURKYZTESA-N 446.732 3.638 0 40 IHAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(S(=O)(=O)NCc2cccs2)o1 35597451 KNTWGTSMKXAOJV-UHFFFAOYSA-N 446.428 3.971 0 40 IHAB O=c1ccn(-c2ccc(F)c(F)c2)nc1-c1nc(-c2cccc(Br)c2)no1 49006399 BCZXRAAJNSSBQG-UHFFFAOYSA-N 431.196 3.990 0 40 IHAB CCN(CC)c1ccc(-c2noc(CN3CCN(c4cccc(Cl)c4)CC3)n2)cn1 49409722 RKVNNXSCVBQGDZ-UHFFFAOYSA-N 426.952 3.953 0 40 IHAB O=C(CCc1cc(Br)ccc1OC(F)F)N[C@H]1CCN(c2ccccn2)C1 206827478 UCALHKRLGUGLPS-HNNXBMFYSA-N 440.288 3.773 0 40 IHAB O=C1c2ccccc2N[C@@H](c2ccc(OCCO)cc2Br)N1CC(F)(F)F 22195871 NYKPAWRJTARBMO-MRXNPFEDSA-N 445.235 3.949 0 40 IHAB CCOC(=O)c1cnn2c(C(F)(F)F)cc(-c3cc(OC)c(OC)c(OC)c3)nc12 862889 PSEBPRMKRMKYPH-UHFFFAOYSA-N 425.363 3.618 0 40 IHAB COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)cc1 878795 ATHAAXZQYPHNNL-AWNIVKPZSA-N 438.509 3.555 0 40 IHAB CCNC(=S)N(CCc1cccc(C)c1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 891504 OJDKHCDUWBSVPG-UHFFFAOYSA-N 437.565 3.547 0 40 IHAB O=C1CN(/C=C(\c2ccc(Cl)cc2)S(=O)(=O)Cc2ccc(Cl)cc2)C(=S)N1 1637239 GCRFJQSLWJDEMU-CXUHLZMHSA-N 441.361 3.624 0 40 IHAB CC[C@@]1(C)Cc2c(sc3nc(SCC(=O)NCc4ccccc4)nc(N)c23)CO1 2406714 DXZYZWJFTNHRSN-NRFANRHFSA-N 428.583 3.923 0 40 IHAB CCOc1ccc(C(=O)NCC(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)cc1 2621831 RBKZERXXLBFHKS-UHFFFAOYSA-N 429.472 3.812 0 40 IHAB aggregator NC(=O)c1c(NC(=O)CSc2nnc(Nc3ccccc3)s2)sc2c1CCC2 3390319 XTUISXFRDPIAMP-UHFFFAOYSA-N 431.568 3.662 0 40 IHAB O=C(COC(=O)c1ccccc1I)Nc1ccc(F)cc1Cl 3391494 WYGQPAWVQHHJNE-UHFFFAOYSA-N 433.604 3.879 0 40 IHAB CCCS(=O)(=O)N1C[C@@H]2C[C@H](C1)c1ccc(-c3cc4ccccc4s3)c(=O)n1C2 5410646 WELXYBHVEQTOFP-DOTOQJQBSA-N 428.579 3.889 0 40 IHAB biogenic,in-vitro CCCCc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(OCC)cc3)CC2=O)cc1 8717800 IXGURDVWMVEHMI-LJQANCHMSA-N 438.524 3.963 0 40 IHAB O=C(Nc1nc2ccc(F)cc2s1)C1CCN(S(=O)(=O)c2cccs2)CC1 8986919 YQYPTWWCSKGTHX-UHFFFAOYSA-N 425.532 3.536 0 40 IHAB CCc1cc(=O)oc2cc(C)cc(OCC(=O)NC3CCN(Cc4ccccc4)CC3)c12 9058689 POFTVZXAWLFISM-UHFFFAOYSA-N 434.536 3.823 0 40 IHAB O=C(NCc1ccco1)[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccc(F)cc1 9238550 XSRCQBPUNGRCBF-RTBURBONSA-N 435.484 3.753 0 40 IHAB O=C1CCCN1c1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 9255402 BIAVNQQUQKILKS-FQEVSTJZSA-N 442.537 3.501 0 40 IHAB CCOc1cc2c(cc1CNC(=O)C1CCN(C(=O)c3cccs3)CC1)O[C@@H](C)C2 9337516 ZVUCBMMDPMPJKB-HNNXBMFYSA-N 428.554 3.639 0 40 IHAB O=C(COc1ccc2ccccc2c1)Nc1c2c(nn1-c1ccc(F)cc1)C[S@@](=O)C2 9413268 QGEPALZSCJEKQX-WJOKGBTCSA-N 435.480 3.944 0 40 IHAB CCCc1nnc2c3ccccc3c(-c3ccc(N4CCOCC4)c(NC(C)=O)c3)nn12 9448922 QCXURZVXGPVUIB-UHFFFAOYSA-N 430.512 3.692 0 40 IHAB Cc1ccccc1N1C[C@@H](C)Cn2c1nc1c2c(=O)n(CCCc2ccccc2)c(=O)n1C 9519322 NGGUDMLECTUNQK-GOSISDBHSA-N 443.551 3.626 0 40 IHAB Cc1cccc(C)c1-n1nnnc1SCC(=O)N1CCS[C@@H]1c1ccccc1F 9580342 OQIMVRAALRXDSR-LJQANCHMSA-N 429.546 3.785 0 40 IHAB COc1ccc(OC)c([C@H]2CCCN2C(=O)CSc2nnc(C3CC3)n2C2CC2)c1 9596030 DEYJCQYSBUFETN-GOSISDBHSA-N 428.558 3.963 0 40 IHAB CCN(CC)CCn1c2c(c(SCC(=O)Nc3ccccc3Cl)nc1=O)CCCC2 9747210 QTQXSZMKSSLEGQ-UHFFFAOYSA-N 449.020 3.848 0 40 IHAB O=C(c1cc(-c2ccccc2)c(N2CCOCC2)s1)N1CCN(c2ccccn2)CC1 9949007 ZYLCLRQVTMOUFJ-UHFFFAOYSA-N 434.565 3.609 0 40 IHAB C[C@H](OC(=O)CNC(=O)c1sc2ccccc2c1Cl)C(=O)N1CCc2ccccc21 9987066 DCZZATJGQQPYFT-ZDUSSCGKSA-N 442.924 3.806 0 40 IHAB O=C(CCCS(=O)(=O)c1ccccc1)Nc1nc(-c2ccc3c(c2)OCO3)cs1 10218296 MTWKBFLDGPPLHH-UHFFFAOYSA-N 430.507 3.731 0 40 IHAB O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)NCc1coc(-c2cccs2)n1 10882469 NBMXSGPSOLAZER-UHFFFAOYSA-N 440.550 3.760 0 40 IHAB Cc1ccc2nc(COC(=O)c3ccccc3N(C)C(=O)c3cccs3)cc(=O)n2c1 11491226 GEJKCIIOYPROPB-UHFFFAOYSA-N 433.489 3.698 0 40 IHAB COc1ccc(OC)c([C@@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@@H](C)Nc3ncnn32)c1 11694826 FTMPJZDZMYJWJV-ZUSMLRIVSA-N 427.892 3.607 0 40 IHAB COc1ccc(-c2cc(C(=O)Nc3cc(C)cc(C)c3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 11996848 FGDJVSZHJWYCJN-LJQANCHMSA-N 439.537 3.787 0 40 IHAB CCOc1ncc([C@]2(O)CCC[C@@H]3CN(Cc4cc(F)cc(F)c4)C[C@@H]32)c(OCC)n1 12233421 HEGQRLOIFZGHRL-NIJIEXERSA-N 433.499 3.672 0 40 IHAB O=C(c1ccc2ccccc2c1)N1CCC2(CC1)OCCN2S(=O)(=O)c1cccs1 12342401 CFAWVTLRLYUPPH-UHFFFAOYSA-N 442.562 3.555 0 40 IHAB CCCN(Cn1nc(-c2ccco2)n(-c2ccccc2)c1=S)[C@@H]1CCS(=O)(=O)C1 12516791 VECGAYHHTYNVAP-QGZVFWFLSA-N 432.571 3.520 0 40 IHAB O=C(c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12)N1CCSc2ccccc21 12545138 HSKVIUAOQINCFI-UHFFFAOYSA-N 427.551 3.920 0 40 IHAB CN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1)c1ccccc1 12552957 HVKQMUFOLFTMCV-CYBMUJFWSA-N 443.388 3.574 0 40 IHAB Cc1nn(-c2ccccc2)c2c1[C@]1(C(=O)Nc3ccccc31)N1C(=N2)C(=O)Nc2ccccc21 12557668 QLSVOHMUKBAOFX-AREMUKBSSA-N 446.470 3.879 0 40 IHAB Cn1nc(C2CCCCC2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2CNS(=O)(=O)c1cccs1 12602056 AUNCKGWTTVKPPZ-OTWHNJEPSA-N 448.658 3.686 0 40 IHAB biogenic,in-vitro C[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)c1ccc(F)c(F)c1 12767704 PXOPINKFSWDPOL-LBPRGKRZSA-N 427.428 3.833 0 40 IHAB O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCO2)NCc1ccccc1OC(F)(F)F 12819823 FSVCYPQVCQISFF-QGZVFWFLSA-N 436.430 3.810 0 40 IHAB CN(Cc1ccccc1Br)C(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCC3 12992913 TWRSQVLUECEZMG-UHFFFAOYSA-N 446.370 3.827 0 40 IHAB COC(=O)c1ccc2c(O)nc(CN3CCC[C@@H]3c3ccc4c(c3)OCCCO4)nc2c1 13015463 UGEWAKXIYTVVIA-LJQANCHMSA-N 435.480 3.620 0 40 IHAB COC[C@H](C)NC(=S)NC[C@@H](c1cccc(OC)c1OC)c1c[nH]c2ccccc12 13057968 USQITYHTFRBVAH-KXBFYZLASA-N 427.570 3.816 0 40 IHAB Cc1cc(-n2c(C)cc(C(=O)Cn3nnc(-c4cccc(C(F)(F)F)c4)n3)c2C)no1 13150023 UJNWHUPISVPAQK-UHFFFAOYSA-N 430.390 3.946 0 40 IHAB C[C@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)C(=O)Nc1ccc(C(N)=O)cc1 13164811 VAPCSFJYHGGSGC-HNNXBMFYSA-N 447.520 3.805 0 40 IHAB CC[C@H](c1nnnn1C(C)(C)C)N(Cc1cc2cc(C)ccc2[nH]c1=O)C[C@@H]1CCCO1 13494493 SRZFVTQQAKCMTI-PZJWPPBQSA-N 438.576 3.710 0 40 IHAB CCOc1ccc([C@@H](c2nnnn2C(C)(C)C)N2CCN(c3ccccc3F)CC2)cc1 13503995 WZULIHSQSXCMFM-QFIPXVFZSA-N 438.551 3.878 0 40 IHAB O=C(NCC(=O)N1CCC[C@H]1c1nc2ccccc2s1)c1ccc(N2CCCC2=O)cc1 14201714 BSJWLUWKCUJEAB-IBGZPJMESA-N 448.548 3.517 0 40 IHAB O=C(NCCCSc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 18083487 YSFFPIAOUPNLNW-QGZVFWFLSA-N 436.574 3.525 0 40 IHAB COc1ccccc1O[C@H](C)C(=O)N1CCC([C@@H]2C[C@H](C(F)F)n3nc(C)cc3N2)CC1 19128420 LHBLLFVAPVTSNH-BPQIPLTHSA-N 448.514 3.897 0 40 IHAB COc1ccc(-c2nccc3ccn(CC(=O)NC4CCN(C(C)C)CC4)c23)cc1OC 19447842 BINCHCXFYSMRNI-UHFFFAOYSA-N 436.556 3.710 0 40 IHAB CCNC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCCN(C(=O)c2ccnn2C)C1 19528702 YZJQPSPJYBACSZ-AREMUKBSSA-N 430.552 3.688 0 40 IHAB CC(=O)N1CCC(c2nc3c(c(NCCCc4ccccc4Cl)n2)CN(C)CC3)CC1 19710500 BBYBKECGQWSVRA-UHFFFAOYSA-N 442.007 3.889 0 40 IHAB O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccc(N2CCOCC2)nc1 21589978 KIHZWKBULBWIIB-UHFFFAOYSA-N 449.351 3.973 0 40 IHAB O=C1CN(Cc2ccccc2F)S(=O)(=O)c2ccccc2N1Cc1ccc(F)cc1 21662945 OKAXWFHBNVCGOT-UHFFFAOYSA-N 428.460 3.703 0 40 IHAB CCN(Cc1nc(-c2ccc(OC)cc2)no1)S(=O)(=O)c1cc(Cl)ccc1OC 22256673 PFDNCQUUJNXMIK-UHFFFAOYSA-N 437.905 3.618 0 40 IHAB O=C(NC[C@@H](c1ccsc1)N1CCc2ccccc2C1)C(=O)Nc1ccc(F)cc1F 22766769 UCGXEQUDGCNBOR-NRFANRHFSA-N 441.503 3.881 0 40 IHAB Cc1noc(COC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(Cl)cc2)n1 23200287 YQEXKZXEFGVPQF-IBGZPJMESA-N 438.871 3.597 0 40 IHAB COc1ccc(-c2noc(CCC(=O)NCCCn3ccc4ccccc43)n2)cc1OC 25045684 WEHFICCOVWOUFY-UHFFFAOYSA-N 434.496 3.848 0 40 IHAB CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1C(=O)N1CCC(C)CC1 26119448 GCSVSBVZMPOEEP-UHFFFAOYSA-N 448.566 3.780 0 40 IHAB C[C@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl 27942762 PLEZMKBCQJVJRO-CQSZACIVSA-N 427.975 3.733 0 40 IHAB COc1ccc(-c2csc(NC(=O)[C@@H]3CCCN(C(=O)c4ccoc4)C3)n2)c(OC)c1 32764403 HHESPPYIPBFCLO-CQSZACIVSA-N 441.509 3.911 0 40 IHAB COc1ccc(C(=O)Nc2ccncc2Cl)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C 32845147 DANJKKQBRZGUFL-CZUORRHYSA-N 437.949 3.853 0 40 IHAB C[C@@H]1CN(S(=O)(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)C[C@@H](C)O1 32895499 MPFBRSTXNCCJNO-JXXFODFXSA-N 447.988 3.897 0 40 IHAB O=C(CN1CCN(C(=O)c2sccc2-n2cccc2)CC1)Nc1ccccc1Cl 32898794 TWNFXKHEYVCWNQ-UHFFFAOYSA-N 428.945 3.589 0 40 IHAB COc1cccc(-n2c(SCC(=O)NCc3ccccc3)nnc2-c2cccnc2)c1 35289140 PAAHGSCQFXUOHL-UHFFFAOYSA-N 431.521 3.746 0 40 IHAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CN1C(=O)[C@H]3CC=CC[C@H]3C1=O)CC2 35392536 NRCYVMSGZMNVFQ-JXALWOEJSA-N 432.520 3.560 0 40 IHAB COc1ccc(-c2csc(NC(=O)c3ccc(N4CCCS4(=O)=O)cc3)n2)cc1F 36390878 PBDAVEQDDRHACM-UHFFFAOYSA-N 447.513 3.750 0 40 IHAB Cc1ccc(Cn2c(=O)c3ccccc3n(CC(=O)Nc3c(C)cccc3C)c2=O)cc1 40478462 UILBLOWMEHVXMS-UHFFFAOYSA-N 427.504 3.775 0 40 IHAB CCN(c1ccsc1C(=O)N1CCSCC1)S(=O)(=O)c1ccc(Cl)cc1 49004213 BUNXWUXZWWKPRD-UHFFFAOYSA-N 431.004 3.806 0 40 IHAB COc1ccc(-c2noc(-c3cccn3CC(=O)NCc3cccc(C)c3)n2)cc1OC 57487199 IKNWHTLYFAOPLX-UHFFFAOYSA-N 432.480 3.847 0 40 IHAB COCCN(C(=O)c1ccc(C)s1)[C@H](C(=O)OC)c1ccc(Br)cc1 72292788 XHCMLMZYJGPAAY-INIZCTEOSA-N 426.332 3.822 0 40 IHAB COc1ccc(NC(=O)CN2CCC[C@@H](c3nc(N)ncc3-c3cccc(F)c3)C2)cc1 72345933 RYMGBNGRHIJSQC-QGZVFWFLSA-N 435.503 3.692 0 40 IHAB CN1CCN(c2ncc(-c3cccnc3)c([C@@H]3CCCN(C(=O)C4CCCCC4)C3)n2)CC1 72347978 GQAZKFIJQRCYIP-JOCHJYFZSA-N 448.615 3.577 0 40 IHAB CCN1CCN(C(=O)Cc2ccc(F)cc2)[C@@H](Cc2ccccc2-c2cccnc2)C1=O 72351554 VHYRIFVPYOXBGA-DEOSSOPVSA-N 431.511 3.732 0 40 IHAB CC(C)(C)[C@H]1CCc2noc(C3CCN(C(=O)CCN4C(=O)CSC4=O)CC3)c2C1 72392419 TUWRYMGZOARSCP-HNNXBMFYSA-N 433.574 3.617 0 40 IHAB CCNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCCN(C(=O)c2ccccc2OC)C1 72395992 IIDKHASYWABFHE-SANMLTNESA-N 447.535 3.951 0 40 IHAB O=C(C[C@H]1CCCCCN1C(=O)c1ccc(=O)n(Cc2ccccc2)n1)c1ccccc1 79045220 QTMPOHUDHAIJKK-JOCHJYFZSA-N 429.520 3.949 0 40 IHAB COC(=O)c1ccc(-c2ccc([C@H]3c4c(c5ccccc5oc4=O)O[C@@H]3C(=O)OC)o2)cc1 79189708 UHFZHLOXLYOFEV-UGKGYDQZSA-N 446.411 3.906 0 40 IHAB biogenic Cc1nc2ccccc2c(=O)n1CCCC(=O)N(Cc1ccccc1)CC1(O)CCCC1 84290415 VGKMKDGAMANWNU-UHFFFAOYSA-N 433.552 3.819 0 40 IHAB COc1ccc([C@H](C)NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1Cn1cccn1 84647837 DIQNDMYLRJGJMK-FDDCHVKYSA-N 435.524 3.989 0 40 IHAB COc1ccc(C(C)=O)cc1C[S@](=O)CC(=O)N(C)Cc1c(F)cccc1Cl 89292047 UTJXJOSDUYTGPW-MUUNZHRXSA-N 425.909 3.598 0 40 IHAB COc1ccc([C@@H]2CC(c3cc(OC)cc(OC)c3)=NN2C(=O)CCCC(=O)O)cc1 95532088 IDNXZOLYZGPHMM-NRFANRHFSA-N 426.469 3.645 0 40 IHAB COc1cc2c(cc1OC)CC(=O)N(CC(=O)NCCSc1ccc(Cl)cc1)C=C2 96231734 IQLGFJDMFBQWQE-UHFFFAOYSA-N 446.956 3.621 0 40 IHAB O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[C@H](CN2CCOCC2)C1 97164604 KIXSVCYGVWBRJT-GFCCVEGCSA-N 425.373 3.910 0 40 IHAB CC(C)N1CCc2c(nc3cc([C@@H]4CCCCN4C(=O)c4ccccc4F)nn3c2O)C1 100234019 WGIPIMFCZCITHF-NRFANRHFSA-N 437.519 3.708 0 40 IHAB COc1cccc2c1O[C@@]1(C)C[C@H]2[C@H](S(=O)(=O)c2ccc(C(C)(C)C)cc2)C(=O)N1C 100893751 XKDNXXJYFDUKEZ-ZHRMCQFGSA-N 443.565 3.890 0 40 IHAB COC(=O)c1ccc(NC(=O)CN2C(=O)CC(c3ccccc3)=Nc3ccccc32)cc1 101354188 WYZKIMJRPKQIQC-UHFFFAOYSA-N 427.460 3.969 0 40 IHAB COc1cccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@H]4CC[C@@H](C)C[C@H]4C3=O)c2)c1 102081122 BOFQNRMVJLPPBU-GQWLDOHISA-N 435.476 3.661 0 40 IHAB CCOC(=O)[C@H](OC(=O)c1cccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)c1)c1ccccc1 102649250 QGBSTFRTQTXPJH-QHAWAJNXSA-N 435.476 3.827 0 40 IHAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@H](C)Oc1cccc2ccccc12 216350352 AYFJJXNLEAHOSA-INIZCTEOSA-N 442.537 3.941 0 40 IHAB COC(=O)c1ccc(C)c(NC(=O)[C@H](C)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)c1 220360446 FIPPCZOXNPMHAU-AWEZNQCLSA-N 438.933 3.537 0 40 IHAB CC[C@@H](C(=O)NCCSCc1ccccc1F)N(c1ccccc1F)S(C)(=O)=O 220602208 RUYDKTBKAFIVRG-SFHVURJKSA-N 442.553 3.559 0 40 IHAB CC[C@H](C(=O)NCc1ccccc1Cl)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 222494936 QLGNHAZURUUNHX-MRXNPFEDSA-N 445.368 3.863 0 40 IHAB CC[C@H](NC(=O)CN(Cc1ccccc1F)S(C)(=O)=O)c1ccc2c(c1)CCCC2 223137016 AGWJWZLWPQLCQP-QFIPXVFZSA-N 432.561 3.734 0 40 IHAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 223450931 CDKGYCKVOMCRDT-KRWDZBQOSA-N 428.554 3.756 0 40 IHAB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc(OC2CCCC2)cc1 223511910 MWCNWSHPHLEALQ-MRXNPFEDSA-N 432.542 3.810 0 40 IHAB Cc1ccc(N(CC(=O)NCCOc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 223545582 JUBBQWDXWCDEAN-UHFFFAOYSA-N 438.549 3.694 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)c2cc(C(=O)NCCC3CCN(C)CC3)ccc2C)cc1 224312914 NGUDQQSLFFTHBI-UHFFFAOYSA-N 443.613 3.590 0 40 IHAB CSc1nnc(NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)s1 224356295 WDKXZJCRCRIGJB-UHFFFAOYSA-N 448.595 3.711 0 40 IHAB CCc1ccc(OCC(=O)N(Cc2ccc(OC)cc2)[C@@H](C)C(=O)NCC(C)C)cc1 224475015 LGATXKZAQOZKSL-IBGZPJMESA-N 426.557 3.826 0 40 IHAB CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCCOc1ccc(OC)cc1 224998734 DTVCNBHCPZZFSM-LJQANCHMSA-N 442.556 3.806 0 40 IHAB CC(C)(C)CNC(=O)CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1 226065252 CWOIOIZYYBJFMJ-UHFFFAOYSA-N 426.941 3.832 0 40 IHAB O=c1c(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc2nc(-c3ccc(F)cc3)nn12 254306907 DQAGJCDDJDHXQN-UHFFFAOYSA-N 434.408 3.673 0 40 IHAB CCN(C(=O)c1c[nH]nc1C1CCN(C(=O)CN2CCCCCC2)CC1)c1ccccc1 257242636 IDKKPDWOOVHEEM-UHFFFAOYSA-N 437.588 3.658 0 40 IHAB COc1ccccc1[C@H]1CN(C(=O)c2cccnc2Oc2ccc(C)nc2)CCN1C(C)=O 257263089 LOIWBJJRPIGOOJ-JOCHJYFZSA-N 446.507 3.632 0 40 IHAB O=C(c1ccnc(N2CCOCC2)c1)N1CCC[C@@H](c2cncc(Oc3ccccc3)n2)C1 257297642 RIFYYENLOHOVPF-HXUWFJFHSA-N 445.523 3.520 0 40 IHAB O=C(CN1CC[C@]2(CCCO2)[C@H](OCc2ccccc2)C1)N1CCSc2ccccc21 257301896 SALNELDFTSKCRY-ILBGXUMGSA-N 438.593 3.966 0 40 IHAB Cc1ccc(CC(=O)N2CCC[C@@H](c3nc(C)c(CC(=O)N4CCCC4)c(C)n3)C2)cc1 257311372 UJDBZCUSARFRAI-JOCHJYFZSA-N 434.584 3.515 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1cccc(Cl)c1Cl 408607691 NRGPKQROVATEDI-SECBINFHSA-N 437.732 3.961 0 40 IHAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(C)cc2)C1 408700982 PPCXXNDRKLYWLO-NRFANRHFSA-N 444.597 3.844 0 40 IHAB O=C(c1ccsc1)N1CCO[C@@]2(C1)C(=O)N(Cc1cccs1)C[C@H]2c1ccccc1 585106850 JOKPIFALWWXHKC-NZQKXSOJSA-N 438.574 3.847 0 40 IHAB CC(=O)NC1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCc2ccccc2)CC1 670155218 PARNMCFHENXRJN-UHFFFAOYSA-N 442.567 3.784 0 40 IHAB Cc1ccc(-c2nnc([C@@H](C)n3nnc([C@@H]4CN(Cc5ccccc5)CCO4)n3)o2)cc1C 675149245 ANPQZJWRCAWBJO-NQIIRXRSSA-N 445.527 3.523 0 40 IHAB C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)c1cc(-c2ccc3ccccc3c2)[nH]n1 1626918512 UNYNNECWEVABHZ-OAHLLOKOSA-N 434.521 3.711 0 40 IHAB CO[C@@H]1CCN2C[C@@H]1CCCCN(Cc1cncc(C)c1)CCOc1cccc(c1)C2=O 2037978282 NATDNPYQSBKATQ-UKILVPOCSA-N 437.584 3.932 0 40 IHAB CSc1ccccc1NC(=O)N1CCC[C@@]2(CCCN(CC(=O)N3CCCC3)C2)C1 2056223995 LEXROUKXPLBEBK-HSZRJFAPSA-N 430.618 3.741 0 40 IHAB Cn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1ccc2ccccc2c1 642331 DZSQYSUPPDSONG-UHFFFAOYSA-N 449.511 3.768 0 40 IHAB Cc1ccc2c(Br)cc(Br)c(OC(=O)N3CCOCC3)c2n1 1017641 VBLRSKGRFHYBQZ-UHFFFAOYSA-N 430.096 3.899 0 40 IHAB COc1cc(/C=C2\CCCC3=C2N=C2N=CNN2[C@H]3c2ccc(O)c(OC)c2)ccc1O 1107116 OZBRQVWXQQYJJR-VOCPSOEZSA-N 432.480 3.896 0 40 IHAB Cc1cc2cc(CN(Cc3cccnc3)C(=S)NC[C@H]3CCCO3)c(=O)[nH]c2cc1C 1224576 YRMRILJNNVHHOG-OAQYLSRUSA-N 436.581 3.596 0 40 IHAB O=C(CSc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2)NCc1ccco1 3435493 PLQGLSJJUCSVGO-UHFFFAOYSA-N 448.504 3.724 0 40 IHAB CCC(C)(C)NC(=O)[C@H](c1cccs1)N(C(=O)Cn1nnc2ccccc21)C1CC1 4847424 MRLMTMXGZGRNPX-FQEVSTJZSA-N 425.558 3.530 0 40 IHAB CCOc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=S)NCCOC)cc2c1 6196728 VZPYDWRLOHNJEJ-UHFFFAOYSA-N 431.583 3.511 0 40 IHAB Cc1cccc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)N3CCCCCC3)c(=O)[nH]c12 6444092 LEGUGDACYUFYSU-HSZRJFAPSA-N 446.530 3.976 0 40 IHAB CC(C)(C)OC(=O)N1CCN(C(=S)NC(=O)c2ccc(-c3ccccc3)cc2)CC1 6882643 WOOVQAYAQTYFQU-UHFFFAOYSA-N 425.554 3.921 0 40 IHAB CCCCOc1ccc(C(=O)NOCC(=O)N[C@@H]2CCCc3ccccc32)cc1OC 7783568 XTXRMXBKUCICCI-HXUWFJFHSA-N 426.513 3.729 0 40 IHAB CCc1ccc(CN(C(=O)c2ccc(Br)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 8384479 KRTBMILFBFHBNK-LJQANCHMSA-N 436.371 3.841 0 40 IHAB COc1ccc(NC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccc(OC)cc2)cc1 8721001 UZHJFHNMCWMQMI-BKUYFWCQSA-N 446.459 3.842 0 40 IHAB CC(C)c1ccc(S(=O)(=O)NC[C@@H](c2cccnc2)S(=O)(=O)c2ccccc2)cc1 9005291 ANKHEEFQWRWDGP-QFIPXVFZSA-N 444.578 3.699 0 40 IHAB Cc1ccc(-c2nc(COC(=O)CN3C(=O)N[C@]4(CCCC[C@@H]4C)C3=O)cs2)cc1 9126336 JJJPISZYBBTBQK-NYHFZMIOSA-N 427.526 3.662 0 40 IHAB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2cncn2-c2ccccc2)c1 9219689 CSOFAKIXNKVWJJ-UHFFFAOYSA-N 432.505 3.950 0 40 IHAB CCCNC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 9227566 PLMBJLGJBGIYRQ-UHFFFAOYSA-N 449.960 3.517 0 40 IHAB COc1cccc(-n2cnnc2SCC(=O)c2cc(C)n(C[C@@H]3CCCO3)c2C)c1 9469058 VUVAMBFGBMZXJQ-IBGZPJMESA-N 426.542 3.848 0 40 IHAB O=C(OCc1cn2cc(Cl)ccc2n1)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 9634190 SCXDHCHARFZRHN-ODLFYWEKSA-N 446.854 3.976 0 40 IHAB Cc1nc2ccccc2c(=O)n1-c1ccc(NS(=O)(=O)c2cc(F)ccc2F)cc1 9715086 FOTWRKIBEUOHKI-UHFFFAOYSA-N 427.432 3.773 0 40 IHAB O=C(NCCC1=CCCCC1)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 9766252 PHYBHRVORYOHAS-UHFFFAOYSA-N 442.537 3.514 0 40 IHAB CC[C@@H]1CCc2sc(-c3nnc(SCn4nnc5ccccc5c4=O)n3C)cc2C1 9789276 RPXYFSJXKCDKLK-CYBMUJFWSA-N 438.582 3.913 0 40 IHAB Cc1nnc(NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)s1 9814964 UPYCQBVSKGPZBI-UHFFFAOYSA-N 430.555 3.804 0 40 IHAB COc1cn(CC(=O)Nc2c(C)cc(C)cc2C)c(CSc2nnc(C)s2)cc1=O 10254792 RWPIZYKPDNEKLX-UHFFFAOYSA-N 444.582 3.873 0 40 IHAB CCc1ccccc1N1CCN(C(=O)c2ccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2)CC1 10272002 HNTCOBGIIHRDLH-GOTSBHOMSA-N 445.563 3.891 0 40 IHAB CCOC(=O)[C@@H]1CCCCN1C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C 10407724 WMPOVBWXTZMZLK-SFHVURJKSA-N 444.601 3.816 0 40 IHAB CCCCn1c(=O)c(CCC(=O)OCC(=O)Nc2ccc(F)c(F)c2)nc2ccccc21 11590180 DPBYHAOFVIBJMN-UHFFFAOYSA-N 443.450 3.589 0 40 IHAB COc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 11655451 VNCMVGICLAIYIU-QGZVFWFLSA-N 432.542 3.666 0 40 IHAB O=C(NC[C@H](c1cccnc1)S(=O)(=O)c1ccccc1)c1ccc(-n2cccc2)cc1 11907132 SAOJJBMDMYNFQM-HSZRJFAPSA-N 431.517 3.817 0 40 IHAB CCOc1ncc(C2(O)[C@H]3CCC[C@@H]2CN(Cc2cccc(F)c2F)C3)c(OCC)n1 12181078 YPEZHGKZLXLXDN-NWMVZANLSA-N 433.499 3.672 0 40 IHAB CCc1cc(C(F)(F)F)n2nc([C@H]3CCN(C(=O)COc4ccccc4OC)C3)cc2n1 12276558 MUZCRAJYYPRMJV-AWEZNQCLSA-N 448.445 3.714 0 40 IHAB COc1cccc(-c2noc(C3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)n2)c1OC 12415221 RRZCAVYDLUPLPR-UHFFFAOYSA-N 443.525 3.631 0 40 IHAB COc1c(Br)cc(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)OCCO2 12521401 SRLUSWSZLRNVMJ-UHFFFAOYSA-N 434.695 3.683 0 40 IHAB CN(C)c1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 12556256 GHTBOCLUZWKNPA-UHFFFAOYSA-N 429.586 3.889 0 40 IHAB CN(C)[C@H](CNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cccs1 12557136 CGZQEGMGDUGULT-LJQANCHMSA-N 429.567 3.582 0 40 IHAB O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CC(=O)N1CCC[C@@H]2CCCC[C@H]21 12875568 DDOKQKFZPOOBAH-SIKLNZKXSA-N 431.536 3.663 0 40 IHAB Cc1ccc([C@@H](CC(=O)O)NS(=O)(=O)c2ccc(Br)cc2Cl)cc1 13101337 YYBUCXMIROPHHT-CQSZACIVSA-N 432.723 3.905 0 40 IHAB C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 13674481 GJECTVZISZRYOK-HXOBKFHXSA-N 434.517 3.621 0 40 IHAB CC[C@@H](C(=O)Nc1cc(C(=O)OC)ccc1C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716446 OHCSDQLRGLWBJP-FQEVSTJZSA-N 432.542 3.582 0 40 IHAB Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)/C=C/c2cc(Cl)c3c(c2)OCO3)c1C 16145479 NYBGMEUXVLBEBG-AATRIKPKSA-N 436.917 3.588 0 40 IHAB Cc1ccc(C(=O)NC(=S)Nc2ccc(I)cn2)c(Cl)c1 16285092 JDPXZHZLWYOITI-UHFFFAOYSA-N 431.686 3.775 0 40 IHAB Cc1cc(=O)oc2cc(OCc3ccc(C(=O)N(C)CC(=O)NC(C)(C)C)cc3)ccc12 17811116 IQRDRIJXZGNXLD-UHFFFAOYSA-N 436.508 3.667 0 40 IHAB Nc1cncc(C(=O)N2CCc3nc(-c4cccnc4)nc(Nc4ccc(F)cc4)c3C2)c1 19341159 CFNVVUJMBIMWNO-UHFFFAOYSA-N 441.470 3.597 0 40 IHAB COc1ccc(C(=O)c2cn(CC(=O)NC3Cc4ccccc4C3)c3cnccc23)cc1 19553235 ZEMUZNYRDPTCBW-UHFFFAOYSA-N 425.488 3.560 0 40 IHAB CN(C)c1ncc(-c2ccc(F)cc2)c([C@H]2CN(Cc3c[nH]nc3C(C)(C)C)CCO2)n1 19692995 XBDVQBVLBTUWCZ-HXUWFJFHSA-N 438.551 3.943 0 40 IHAB COc1ccccc1CNc1n[nH]c2nc([C@H]3CCCN(C(=O)C(C)(C)OC)C3)ccc12 19742245 BBLGUHYMOCAWPA-KRWDZBQOSA-N 437.544 3.710 0 40 IHAB CN1CCN(C(=O)c2cc([C@H]3CCN(C(=O)C4CCCCC4)C3)nc3ccccc23)CC1 19752234 CIMMSUMKKFWZMH-FQEVSTJZSA-N 434.584 3.519 0 40 IHAB O=C(c1ccc(S(=O)(=O)c2ccc(Cl)cc2)nc1)N1CCN(c2ccccc2)CC1 21886375 JYBFQFGSCKBDAZ-UHFFFAOYSA-N 441.940 3.530 0 40 IHAB CCCOc1ccccc1CCCNC(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 22329232 NYNCWGJOENRQHJ-UHFFFAOYSA-N 432.586 3.607 0 40 IHAB COc1ccc(N(CC(=O)N(C)C2CCCCC2)S(=O)(=O)c2ccccc2)cc1OC 22429030 RHJBKTOJWIOLCJ-UHFFFAOYSA-N 446.569 3.690 0 40 IHAB S=c1n(CN2CCN(CCOc3ccc(Cl)cc3)CC2)nc(C2CC2)n1C1CC1 23852505 MXAGKOJYUSMAPH-UHFFFAOYSA-N 434.009 3.934 0 40 IHAB CC(C)c1nnc(SCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)n1Cc1ccco1 29964300 DONSZXNJJJXGIU-OAHLLOKOSA-N 439.541 3.899 0 40 IHAB C[C@@H]1Cc2ccccc2N1C(=O)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 30855628 BUBZJMVRIZLHDC-MRXNPFEDSA-N 432.973 3.860 0 40 IHAB CCOC(=O)C[C@H](c1ccc(F)cc1)C1CCN(Cc2cc(=O)n3ccsc3n2)CC1 31557211 IELVBGVRIZAFBM-HXUWFJFHSA-N 443.544 3.844 0 40 IHAB CC(=O)c1ccc(OC(=O)c2nc(S(=O)(=O)Cc3ccccc3)ncc2Cl)c(C)c1 32623365 GEKAVXLSBGACTE-UHFFFAOYSA-N 444.896 3.834 0 40 IHAB CSc1ncc(C(=O)N2CCC[C@H](c3nnc4ccccn34)C2)n1-c1ccc(F)cc1 32906600 UCGIAIUVQIIHOU-HNNXBMFYSA-N 436.516 3.796 0 40 IHAB CC[C@H](C)NC(=O)CCn1c(=O)c2ccccc2n2c(SCc3cccc(C)c3)nnc12 33292042 HPPOYIBHVHLFHU-KRWDZBQOSA-N 449.580 3.950 0 40 IHAB CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CN1CCc2[nH]c3ccccc3c2C1 36368112 JHBXZELQSVQKLY-UHFFFAOYSA-N 446.507 3.831 0 40 IHAB biogenic O=C(CSc1ccc(Br)cc1)N1CCC[C@H](c2nnc3ccccn23)C1 36394078 XGFLFFXAMPWGSE-AWEZNQCLSA-N 431.359 3.990 0 40 IHAB CCOC(=O)Cc1csc(NC(=O)[C@@H](c2ccccc2)N2Cc3ccccc3C2=O)n1 36601978 DJHHQPKYXQKXAU-HXUWFJFHSA-N 435.505 3.585 0 40 IHAB COc1cc2ncnc(Nc3ccc(O)c(Cl)c3)c2cc1OCCCN1CCOCC1 38349197 IQWXTDMHBQBADK-UHFFFAOYSA-N 444.919 3.842 0 40 IHAB in-vitro Cc1ccc(NC(=O)CSCC(=O)N[C@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 40157297 AFODFMLROQWZGU-QHCPKHFHSA-N 426.538 3.705 0 40 IHAB COc1cccc(-c2cc(C(=O)N3CCC(NC(=O)c4cc(C)cc(C)c4)CC3)[nH]n2)c1 49406575 SOJSFEZKGGLALH-UHFFFAOYSA-N 432.524 3.737 0 40 IHAB CCCN(CC(F)(F)F)C(=O)CCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C 59252761 LAVPNQDUCQNJRR-FQEVSTJZSA-N 425.451 3.567 0 40 IHAB COc1ccccc1[C@@H](CNC(=O)CCCc1nc2ccccc2c(=O)[nH]1)N1CCCCC1 59782454 SLHFEZPQAXITRQ-JOCHJYFZSA-N 448.567 3.598 0 40 IHAB CCn1c(CN2CCN(C(=O)c3ccccc3OC(F)F)CC2)nc2cc(F)ccc21 60375413 MMFJYXSPWXTWBV-UHFFFAOYSA-N 432.446 3.755 0 40 IHAB COC(=O)c1ccc(NC(=O)Cn2cc(-c3ccccc3)c3ncn(C4CC4)c(=O)c32)cc1 65113436 HPDPRDGQQLCRDT-UHFFFAOYSA-N 442.475 3.625 0 40 IHAB O=C(NCc1cccc(C(F)(F)F)c1)c1cc(Cn2cc(-c3ccncc3)cn2)on1 66088499 KZLRLSGFCCPDPD-UHFFFAOYSA-N 427.386 3.930 0 40 IHAB CCOc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccc(OC)c(Cl)c3)c2C)cc1 71327228 BYHKBCRUUSRFAC-UHFFFAOYSA-N 443.891 3.538 0 40 IHAB Cc1ccnc(Nc2cc([C@@H]3CCCN(C(=O)[C@@H](N)Cc4ccc(F)cc4)C3)nc(C)n2)c1 72355959 WCOYFRJEUBASSA-CTNGQTDRSA-N 448.546 3.647 0 40 IHAB COc1ccc(I)cc1S(=O)(=O)Nc1cnc2ccccc2c1 72414249 BGJMEENWENDBMB-UHFFFAOYSA-N 440.262 3.649 0 40 IHAB Cc1cccc(C)c1OC1CCN(CC(=O)Nc2ccc(CN3CCOCC3)cc2)CC1 84225266 OLSVVRIFJUOOTE-UHFFFAOYSA-N 437.584 3.618 0 40 IHAB O=C(Cn1ccc(C(F)(F)F)n1)NCC1(c2cccc(Br)c2)CCOCC1 84363406 MYJDRRUBARJXEI-UHFFFAOYSA-N 446.267 3.529 0 40 IHAB COc1ccc([C@@](C)(O)[C@H]2CCCN2S(=O)(=O)c2ccc(C)c3ncccc23)cc1 89626929 YOJVUTYLYMRCJT-FYYLOGMGSA-N 426.538 3.613 0 40 IHAB COc1cccc(NC(=O)c2ccccc2NC(=O)c2cnc3scc(C)n3c2=O)c1 95351593 OEKIACJUDGLNDP-UHFFFAOYSA-N 434.477 3.578 0 40 IHAB O=C(/N=c1\c2ccccc2[nH]c(=O)n1C[C@@H]1CCCO1)Nc1ccc(Cl)c(Cl)c1 101113784 CMMPFKKEKADNSP-PSNMVERHSA-N 433.295 3.948 0 40 IHAB CSc1cccc(N2C(=O)[C@H]3N=NN(Cc4nc(-c5ccc(C)c(C)c5)no4)[C@H]3C2=O)c1 101892798 VJGFFWBKWLUTQT-RBUKOAKNSA-N 448.508 3.569 0 40 IHAB O=C(NCC12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)c1cccc(S(=O)(=O)N2CCCC2)c1 102453648 XMPYPHOUMMNHDT-WZGNDQMWSA-N 437.005 3.779 0 40 IHAB CS(=O)(=O)N(CC(=O)NC(c1ccccc1)c1ccccc1)c1ccc(F)cc1F 220089766 MXCURJFKRLPLLC-UHFFFAOYSA-N 430.476 3.637 0 40 IHAB C[C@@H](C(=O)NCCSCc1ccc(Cl)cc1)N(c1ccccc1F)S(C)(=O)=O 220298540 DVXYFIOHBVGJCH-AWEZNQCLSA-N 444.981 3.683 0 40 IHAB C[C@H](C(=O)NCCSC(C)(C)C)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 220431832 XYJJWDFKSNJVES-LLVKDONJSA-N 427.419 3.796 0 40 IHAB CC[C@H](C(=O)Nc1cccc(OC)c1)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 220755209 SSPMJZIXUDETLJ-MRXNPFEDSA-N 426.922 3.541 0 40 IHAB CCOc1cccc(N(CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)S(C)(=O)=O)c1 222961795 VUMLRKWAVSPEMX-KRWDZBQOSA-N 430.570 3.608 0 40 IHAB CC(C)C(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CCCO1 223203259 MLIQMQFQFCJBPW-PKTZIBPZSA-N 426.532 3.717 0 40 IHAB Cc1ccc(Cl)cc1N(CC(=O)NCCOc1ccc2ccccc2c1)S(C)(=O)=O 223592789 BMLQMMHNRCNFIH-UHFFFAOYSA-N 446.956 3.763 0 40 IHAB CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)NCCOc2ccc(F)cc2)cc1 223748957 PBVXYRKUGXKRIX-UHFFFAOYSA-N 442.512 3.601 0 40 IHAB CCc1ccc(OCCNC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)cc1 223864698 NGCRVQZNBWYCTC-UHFFFAOYSA-N 438.549 3.883 0 40 IHAB COc1cccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)c1 223939024 ZJAFKPXCVWAXMR-UHFFFAOYSA-N 440.521 3.613 0 40 IHAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 224299257 RDRLIHFVNZNJSD-HXUWFJFHSA-N 440.565 3.875 0 40 IHAB CN(Cc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1)S(=O)(=O)c1ccccc1 224410033 HYFGBVMOUAXNGU-UHFFFAOYSA-N 438.505 3.531 0 40 IHAB CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(OC)c(OC)c1 225003017 IKKFXQHFZCMCJQ-SFHVURJKSA-N 442.556 3.589 0 40 IHAB COc1ccccc1OCC(=O)N(Cc1cccc(Cl)c1)[C@H](C)C(=O)NCC(C)C 225658118 PKQUDSGYEPRIKV-QGZVFWFLSA-N 432.948 3.917 0 40 IHAB CCc1ccc([C@H](C)NS(=O)(=O)c2nnc(NC(=O)c3ccc(C)cc3)s2)cc1 225771748 HQOPSJVRVIDPGL-AWEZNQCLSA-N 430.555 3.701 0 40 IHAB Cc1ccc([C@@H](NS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)c2ccccc2)c(C)c1 225796487 PAVSVSJFWJUEOS-SFHVURJKSA-N 444.582 3.817 0 40 IHAB CCS(=O)(=O)N(C)c1cccc(C(=O)NCCNc2ccnc3cc(Cl)ccc23)c1 225966214 ISACDCWVABZBCG-UHFFFAOYSA-N 446.960 3.516 0 40 IHAB Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N4CCN5CCC[C@H]5C4)c3N2)cc1 248070478 GQFMRZHRGJJHOH-WDSOQIARSA-N 433.478 3.772 0 40 IHAB O=C(C[C@@H]1C(=O)N[C@@H]2CCCC[C@H]2N1C(=O)c1cccs1)Nc1cccc(Cl)c1 250113282 KKQXCZFVLVJHQI-BRWVUGGUSA-N 431.945 3.682 0 40 IHAB O=C1CCCN1CCOc1cccc(C(=O)N2CC[C@@H](Cc3cccc4ncccc34)C2)c1 257225980 FIRDKRGLFXSNPF-FQEVSTJZSA-N 443.547 3.941 0 40 IHAB Cc1cc(C)c(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)c(C)c1 409008815 KJGVROQPJYGJGS-PXLXIMEGSA-N 449.576 3.997 0 40 IHAB COc1cccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(C)cc3)[C@@H]2c2ccc(Cl)cc2)c1 409054898 OINUHRLMCQJULQ-WAUWHALJSA-O 448.930 3.673 0 40 IHAB CCc1cccc2c(/C=C3\SC(=O)N(CCOc4ccccc4)C3=O)cn(CC(N)=O)c12 409128507 IKCHBTNKNUUCTJ-MOSHPQCFSA-N 449.532 3.804 0 40 IHAB CC(=O)Oc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)cc1 409167118 GURDBTJWRSWUNH-RQZCQDPDSA-N 430.869 3.940 0 40 IHAB COc1cccc(NC(=O)N2CC[C@@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@@H]32)c1OC 1889197941 ZTJZDHQYUVLLEP-CJNGLKHVSA-N 436.434 3.860 0 40 IHAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1 665940 RIDBUQSTYVVMCU-INIZCTEOSA-N 437.521 3.937 0 40 IHAB CC[C@@H](C)OC(=O)[C@H](C)n1cnc2sc(C(=O)Nc3ccccc3OC)c(C)c2c1=O 791246 SEMDPWIKESWLTE-OCCSQVGLSA-N 443.525 3.930 0 40 IHAB CCc1ccc(NC(=O)CSc2nnc(-c3ccc(NS(=O)(=O)CC)cc3)o2)cc1 1329702 UISNOSANAFVRKJ-UHFFFAOYSA-N 446.554 3.791 0 40 IHAB COC(=O)c1ccccc1S(=O)(=O)n1c(Cc2ccccc2OC)nc2ccccc21 1344123 QMABPVRFSMWDKS-UHFFFAOYSA-N 436.489 3.659 0 40 IHAB CCOC(=O)c1c(NC(=O)Cc2ccc(OC)c(OC)c2)sc2c1CC(C)(C)OC2 2283085 YRAUFZSXTRMOJL-UHFFFAOYSA-N 433.526 3.975 0 40 IHAB O=C(CSc1nc2ccccc2c(=O)n1Cc1ccc(Cl)cc1)NCC(F)(F)F 3423348 ATRMGDXMQUJRHM-UHFFFAOYSA-N 441.862 3.869 0 40 IHAB CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)NCc1ccc(C)cc1 3476935 LRLJRCQLLWRVPE-SFHVURJKSA-N 435.387 3.925 0 40 IHAB O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)Nc1ccc2c(c1)OCO2 3506665 PLUXRMHQLSESKZ-UHFFFAOYSA-N 431.477 3.789 0 40 IHAB CCOc1ccc(-n2c(=S)[nH]c(O)c([C@H]3NCCc4c3[nH]c3ccccc43)c2=O)cc1 8573523 JDSWHTFDKDIPCS-HXUWFJFHSA-N 434.521 3.716 0 40 IHAB biogenic COc1cc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2cc(C)cc(C)c2)cc(OC)c1OC 9013219 KJRNHFZVJFXHIB-HXUWFJFHSA-N 441.553 3.761 0 40 IHAB CC(C)[C@@H](C(=O)N1CCc2cc3c(cc2[C@@H]1C)OCCCO3)N1C(=O)c2ccccc2C1=O 9130511 IYGAZHAPPDUUDM-HJPURHCSSA-N 448.519 3.614 0 40 IHAB O=C(CCNS(=O)(=O)c1ccccc1)Nc1nc(-c2c[nH]c3ccccc23)cs1 9155002 PPOSTNABCCWCFO-UHFFFAOYSA-N 426.523 3.599 0 40 IHAB CCc1ccc(OCC(=O)NCc2nc(-c3ccc(OC)cc3)no2)c(Br)c1 9194194 JBNLCSKATHEWOG-UHFFFAOYSA-N 446.301 3.765 0 40 IHAB CCn1c(CC(=O)Nc2ccccc2OC)nnc1SCC(=O)c1ccc(F)cc1 9263030 FFRBCFOXXIHEPG-UHFFFAOYSA-N 428.489 3.602 0 40 IHAB COc1cccc(C(=O)Nc2nnc(SCC(=O)N3CCCc4ccccc43)s2)c1 9366334 ROGALIUMGWOFAU-UHFFFAOYSA-N 440.550 3.871 0 40 IHAB C[C@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)c2ccc3c(c2)OCCCO3)C1=O 9663365 UXKQQTOBHDLWHI-RUZDIDTESA-N 430.460 3.651 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(OC)c(NC(=O)c3ccc(F)cc3)c2)cc1 9671334 PRPNWIXVZRYMME-UHFFFAOYSA-N 430.457 3.896 0 40 IHAB CCc1ccccc1NC(=O)COC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 9702729 FVOKTKWVTWZZMR-UHFFFAOYSA-N 434.492 3.973 0 40 IHAB CCn1c(CN2CCCCCC2=O)nnc1S[C@@H](C)C(=O)Nc1ccc2c(c1)CCC2 9739155 MVCRTOBUDFQQGT-INIZCTEOSA-N 441.601 3.809 0 40 IHAB CCn1c(S[C@H](C)c2ccccc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 9792789 TUICPARWHYMZLN-MRXNPFEDSA-N 431.583 3.930 0 40 IHAB CCOC(=O)C1CCN(C(=O)[C@H](C)OC(=O)c2cc3c(s2)-c2ccccc2OC3)CC1 9816731 VAHZVZARSMXEGX-AWEZNQCLSA-N 443.521 3.655 0 40 IHAB CC[C@@H](C)NC(=O)CCc1nnc2n(Cc3ccccc3Cl)c(=O)c3ccccc3n12 9831524 BFIWWLAMXXNIBH-OAHLLOKOSA-N 437.931 3.593 0 40 IHAB COC(=O)c1cccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)c1C 10009641 NWFDZHCSZPFHLW-UHFFFAOYSA-N 444.534 3.921 0 40 IHAB COc1cccc(-n2c(SCC(=O)N3C[C@H](C)C[C@@H](C)C3)nc3ccccc3c2=O)c1 10084604 KFDQNQVMDSBRNA-IAGOWNOFSA-N 437.565 3.991 0 40 IHAB COC(=O)c1ccc(Cl)c(NC(=O)[C@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)c1 10328503 FSLDOJYVGHOLAR-AWEZNQCLSA-N 438.933 3.537 0 40 IHAB CC(=O)N(c1nc(Cn2nc(-c3ccc(F)cc3)oc2=O)cs1)c1ccccc1F 10423181 NWIJMIPUMGEQNK-UHFFFAOYSA-N 428.420 3.971 0 40 IHAB Cc1ccc2oc(C(=O)N3CCC([C@@H]4Nc5ccccc5S(=O)(=O)N4)CC3)c(C)c2c1 12089444 POZFWFXBNCMDHW-JOCHJYFZSA-N 439.537 3.632 0 40 IHAB CCn1nc(C)c(CCC(=O)N2CCC[C@H](n3nc(-c4cccs4)ccc3=O)C2)c1C 12129439 JARDKUIOKOEMDL-SFHVURJKSA-N 439.585 3.601 0 40 IHAB O=C1CCCN1Cc1ccc(C(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)cc1 12680579 RREFYRRIBOYICV-UHFFFAOYSA-N 429.923 3.560 0 40 IHAB Cc1ccccc1OCCCC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 12820756 ZIDMCKGSFWTBTP-UHFFFAOYSA-N 442.581 3.918 0 40 IHAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCSc3c(F)cccc32)c1 12856732 KKMAEXKHANNEBN-MRXNPFEDSA-N 428.938 3.696 0 40 IHAB C[C@@H](NC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1)c1cccc(Cl)c1 12901718 AEEFBXJUQHHVSX-CYBMUJFWSA-N 427.979 3.615 0 40 IHAB O=C(Cn1ncc2ccccc2c1=O)Nc1ccnn1Cc1cccc(Cl)c1Cl 13005920 DRBLMVUVHYIFIO-UHFFFAOYSA-N 428.279 3.587 0 40 IHAB O[C@H](COc1ccccc1F)CN(Cc1ccccc1)C[C@H](O)COc1ccccc1F 13149379 FKJSKAPZBGYQLJ-SFTDATJTSA-N 443.490 3.647 0 40 IHAB COc1ccc(OC)c([C@@H]2CCCN2CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)c1 13164620 HOHBDUQEQNDIOL-TVVUZDRGSA-N 429.561 3.935 0 40 IHAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cc2C)C1 13580676 WUNWUKSDKLQZAY-CQSZACIVSA-N 440.924 3.836 0 40 IHAB COc1ccccc1[C@H](C)NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 14261099 MZEJNMNAZOUSMW-KRWDZBQOSA-N 442.512 3.907 0 40 IHAB CC1(C)CS(=O)(=O)N(c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)C1=O 15843244 XHQAGHXRMYMAHN-UHFFFAOYSA-N 426.416 3.660 0 40 IHAB O=S(=O)(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc2c(c1)CCC2 16147784 SGYBPKBBUSLHSM-UHFFFAOYSA-N 426.460 3.832 0 40 IHAB Cc1cc(O)c(CC(Cc2c(O)cc(C)oc2=O)c2cccc(Br)c2)c(=O)o1 16756434 TVVBYEKNHLYPDN-UHFFFAOYSA-N 447.281 3.953 0 40 IHAB Cc1ccc(CSCCNC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1 18202128 MBXUEJSZEYWIEG-UHFFFAOYSA-N 438.640 3.507 0 40 IHAB Cc1cc(N2CCCC2)ccc1NC(=O)COC(=O)[C@@H](NC(=O)c1ccccc1)C(C)C 18246785 ZCSOHTBUGBVCLK-QHCPKHFHSA-N 437.540 3.532 0 40 IHAB Cn1nc(-c2ccc(F)cc2)cc1CN1CCC(NC(=O)c2cc(C(C)(C)C)[nH]n2)CC1 19083711 KYNBVGKPVQQNAJ-UHFFFAOYSA-N 438.551 3.641 0 40 IHAB CC(C)n1cc(C(=O)N2CC[C@](Cc3cccc(-c4ccc(F)cc4)c3)(C(N)=O)C2)cn1 19454831 LHXNZZQMQHBHAA-RUZDIDTESA-N 434.515 3.830 0 40 IHAB CCC(=O)N1CCCc2cc([C@@H](O)CN3CCC(O)(c4ccc(F)cc4)CC3)ccc21 19498873 QEFGDCQQAUQIJU-QHCPKHFHSA-N 426.532 3.532 0 40 IHAB CNC(=O)[C@]1(Cc2ccc(-c3ccccc3OC)cc2)CCN(C(=O)c2c(C)noc2C)C1 19579774 GIGUMSFQLCARMR-SANMLTNESA-N 447.535 3.788 0 40 IHAB CC(C)(C)c1ccc(S(=O)(=O)NNC(=S)Nc2ccc(Br)cc2)cc1 19635563 ZRECDLNKLLGIDF-UHFFFAOYSA-N 442.404 3.927 0 40 IHAB COc1cccc(CNC(=O)c2cnc([C@H]3CCCN(C(=O)c4ccccc4)C3)nc2C)c1 19763396 JRPHBNOXRGQFHU-NRFANRHFSA-N 444.535 3.743 0 40 IHAB Cc1nc([C@@H]2CCCCN2C(=O)CN2CCCCC2)ncc1C(=O)Nc1ccc(F)cc1 19765099 LKVHEXOYCWMUAO-NRFANRHFSA-N 439.535 3.716 0 40 IHAB CCSc1nnc2n(-c3cccc(Cl)c3)c(=O)c3c4c(sc3n12)CN(C)CC4 20436963 KVYUXKOSQAIYBK-UHFFFAOYSA-N 431.974 3.848 0 40 IHAB CC(C)Oc1cccc(CCCNC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)c1 22331200 FFTRACLNVPYJLE-UHFFFAOYSA-N 438.977 3.642 0 40 IHAB Cc1cc(S(=O)(=O)Nc2ccc(C(=O)NC[C@H](c3ccco3)N(C)C)cc2)ccc1F 24751132 AVVQIOPYJYGTDD-HXUWFJFHSA-N 445.516 3.561 0 40 IHAB COc1ccc([C@H]2CCCN2S(=O)(=O)c2ccccc2Br)cc1OC 24753652 RKIJDRLLTAWSCG-OAHLLOKOSA-N 426.332 3.992 0 40 IHAB O=C(Nc1cc(F)cc(F)c1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F 24991151 WYPFQRRFHQPJLR-LJQANCHMSA-N 434.439 3.632 0 40 IHAB CSc1nc(C)c(CCC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)c(=O)[nH]1 25902503 BBOJHODRXKAPGG-FQEVSTJZSA-N 425.579 3.969 0 40 IHAB CSCC[C@@H](NC(=O)COc1ccc2c(C)cc(=O)oc2c1)c1nc2ccccc2[nH]1 26749506 QENMWMVAHKFVFL-LJQANCHMSA-N 437.521 3.967 0 40 IHAB biogenic Cc1cccc(OCCCC(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)c1 28278321 QOBAZLKJGSTERI-UHFFFAOYSA-N 428.510 3.864 0 40 IHAB Cc1nc2c(cnn2C(C)C)cc1C(=O)O[C@H](C)C(=O)Nc1cccc(N2CCCC2=O)c1 28431962 CRCRVRKLPOYQEO-MRXNPFEDSA-N 449.511 3.631 0 40 IHAB Cc1ccc(-n2c(SCc3cc(=O)n4cccc(C)c4n3)nc3ccccc3c2=O)nc1 32672011 FHGDQIXSHSMUMF-UHFFFAOYSA-N 441.516 3.698 0 40 IHAB O=C(Nc1ccc(-n2cnc3ccccc32)cc1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 32796861 SQENXMXIRBWEPX-MRXNPFEDSA-N 440.459 3.746 0 40 IHAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCC[C@H]3c3ccc(F)cc3)cc2)C[C@@H](C)O1 32901528 CBKATYDWOHSNHF-JKSBSHDWSA-N 446.544 3.601 0 40 IHAB CCOC(=O)c1c(NC(=O)COC(=O)/C=C/c2ccncc2)sc2c1CC[C@H](C)C2 32928496 SLEVZXJUEJLMKC-DYLGSBMWSA-N 428.510 3.640 0 40 IHAB O=C(CSc1ncnc2nc(N3CCCCC3)sc12)N1CCc2ccccc2C1 35532822 CKHQFEIZJIZRHC-UHFFFAOYSA-N 425.583 3.754 0 40 IHAB CSCC[C@H](NC(=O)[C@H]1Cc2ccccc2CN1)C(=O)Nc1ccc(C(C)C)cc1 35877036 MKQCTEQDNIYCNA-FCHUYYIVSA-N 425.598 3.701 0 40 IHAB COc1cc2c(cc1OC)-c1c(c(C(=O)NCc3ccncc3)nn1-c1ccccc1F)C2 36359789 NKKPAQIMTGVBFH-UHFFFAOYSA-N 444.466 3.925 0 40 IHAB CCn1c(=O)c(C)nc2cc(C(=O)NCc3ccc(CN4CCC(C)CC4)cc3)ccc21 40060384 NZBVVAPJFWCEGM-UHFFFAOYSA-N 432.568 3.887 0 40 IHAB COc1ccc([C@H]2CC(O)=Nc3c2c(C)nn3-c2ccc3nncn3n2)cc1OCC(C)C 40268418 MPZITJKGAMXOHO-MRXNPFEDSA-N 447.499 3.785 0 40 IHAB CCCSc1ncc(Br)c(C(=O)NCCC(=O)Nc2ccc(C)cc2)n1 46086561 FESWISBMEYOOSE-UHFFFAOYSA-N 437.363 3.808 0 40 IHAB Cc1cc(C)n(-c2cccc(NC(=O)c3sccc3S(=O)(=O)N3CCCCC3)c2)n1 48368808 CJDYYYSHKONJKO-UHFFFAOYSA-N 444.582 3.978 0 40 IHAB CCOC(=O)C1=C(CN(CC)Cc2ccccc2)NC(=O)N[C@H]1c1ccccc1OCC 57415805 BSFGRBIGRAWGFN-QHCPKHFHSA-N 437.540 3.779 0 40 IHAB Cn1ccnc1[C@@](O)(CC(=O)NCc1ccc(Oc2ccc(F)cc2)cc1)C(F)(F)F 58564162 ROEFNGOANVJGCX-FQEVSTJZSA-N 437.393 3.808 0 40 IHAB CCOc1ccc(NC(=O)Cn2c(=O)n(-c3cccc(C)c3C)c(=O)c3sccc32)cc1 67218303 AQWDHOJUNAVLSE-UHFFFAOYSA-N 449.532 3.868 0 40 IHAB CSc1nc2cc(C)n(CC(=O)Nc3ccc(C(C)=O)cc3)c2c(=O)n1CC(C)C 67320053 GMSUPZYGLVXUHX-UHFFFAOYSA-N 426.542 3.726 0 40 IHAB Cc1cc(Nc2nc(C)cc(C)n2)cc([C@H]2CCCN2S(=O)(=O)c2c(C)noc2C)n1 72372689 OFPJNSKOJVZTQA-LJQANCHMSA-N 442.545 3.671 0 40 IHAB COc1ccc(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)cc1OC 89920262 HADDFNRCJZPOFR-IYBDPMFKSA-N 432.542 3.623 0 40 IHAB Cc1ccccc1-n1c(=C(C#N)C#N)s/c(=C\c2ccc(OCc3ccccc3)cc2)c1=O 95950387 FAIHWGWGMUFWIR-MYYYXRDXSA-N 449.535 3.813 0 40 IHAB CC(C)S(=O)(=O)c1ccc(CC(=O)N2CCC(Oc3ncccc3Cl)CC2)cc1 96096891 OEPJLQHIWSUVMM-UHFFFAOYSA-N 436.961 3.530 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2cccc(Oc3ccccn3)c2)cc1 96382671 AYUDSYUNBCDSQY-UHFFFAOYSA-N 439.537 3.834 0 40 IHAB COc1ccc(N2C(=O)C[C@H](N3CCc4c([nH]c5ccc(Cl)cc45)C3)C2=O)c(OC)c1 100792626 HDEMSMVOVFCRIO-FQEVSTJZSA-N 439.899 3.529 0 40 IHAB biogenic COc1cccc(CCn2c(=O)[nH]c3ccccc3/c2=N\C(=O)Nc2ccc(F)cc2)c1 101114058 URBKKNGOBUZZAD-XAYXJRQQSA-N 432.455 3.853 0 40 IHAB O=C(O)CCSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1 144554012 KLJPPLJYTQLFIK-UHFFFAOYSA-N 429.435 3.572 0 40 IHAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc(Br)c1O 205731180 BFEWWWGMNAYAFE-NTUHNPAUSA-N 444.303 3.541 0 40 IHAB C[C@@H](C(=O)N[C@H](C)c1ccc(F)cc1)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 220203735 WVERNXLTILBZAH-OLZOCXBDSA-N 432.439 3.876 0 40 IHAB COc1cc(OC)cc(OCC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)(C)C)c1 222891676 LYLGFBOTOIUJGJ-MRXNPFEDSA-N 446.519 3.554 0 40 IHAB Cc1ccc([C@H](C)NS(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)c(C)c1 223147081 PMAYOPRIFZDLTH-HNNXBMFYSA-N 430.555 3.755 0 40 IHAB CC[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCC2)N(c1cccc(OC)c1)S(C)(=O)=O 223236808 FNLCEVLWEMEHLU-KSFYIVLOSA-N 430.570 3.606 0 40 IHAB CC(C)(C)c1ccc(N(CC(=O)NCCOc2ccc(Cl)cc2)S(C)(=O)=O)cc1 224055702 HZSMNTKTNOFLSO-UHFFFAOYSA-N 438.977 3.599 0 40 IHAB C[C@@H](CNS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1)c1ccccc1 225138699 FAKPKMVOYCYNNY-LBPRGKRZSA-N 436.946 3.526 0 40 IHAB COc1ccccc1N(CCCC(=O)NCc1cccc(C(F)(F)F)c1)S(C)(=O)=O 225259978 LRJYMKUYDKBINT-UHFFFAOYSA-N 444.475 3.577 0 40 IHAB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc2c(c1)OCO2 225552961 TZJQRTLFDDUFHF-MRXNPFEDSA-N 430.932 3.943 0 40 IHAB C[C@H]1CCCN(c2cc(Sc3ncccn3)nc(NC(=S)NCc3ccco3)n2)C1 225912489 CSVUINHZNGFJHL-AWEZNQCLSA-N 441.586 3.734 0 40 IHAB COc1cccc(OC)c1C(=O)N1CCO[C@@H](c2cccc(Nc3cccc(C)n3)n2)C1 257228437 FTVPRKHMRYMEAA-HXUWFJFHSA-N 434.496 3.760 0 40 IHAB CNC(=O)c1cccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)c2ccc(C)s2)c1 257264304 LTVHOKLSOSTNQM-GOSISDBHSA-N 443.569 3.850 0 40 IHAB Cc1nc([C@H]2CCN(C(=O)[C@@H](C)c3ccccc3)C2)nc(C)c1CC(=O)NC1CCCC1 257272205 NBLFWVLDIIBDJL-UWJYYQICSA-N 434.584 3.814 0 40 IHAB Cc1cc(C)cc(NC(=O)COC(=O)CCS(=O)(=O)c2ccc3ccccc3c2)c1 408644565 GPVPQTZYOAWZHS-UHFFFAOYSA-N 425.506 3.802 0 40 IHAB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)CCCC1=O)c1cccs1 408649141 KLQNTBXNJMDOHD-UHFFFAOYSA-N 425.293 3.834 0 40 IHAB Cc1cc(C)cc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)cc2)c1 408654937 HABZAVSCLWTCHL-OYRHEFFESA-N 432.476 3.555 0 40 IHAB CCOc1cc(C(=S)N2C[C@H](C)O[C@@H](C)C2)ccc1OCC(=O)Nc1ccccc1 409231015 HODBMBHFFMYNPT-IRXDYDNUSA-N 428.554 3.888 0 40 IHAB CN(C(=O)NCCc1ccc(Br)s1)[C@@H]1CCCN(c2ccccc2)C1=O 523791335 XHZAOLYEIKBYCF-MRXNPFEDSA-N 436.375 3.890 0 40 IHAB O=C(N[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1cnc(O)c2ccccc12 527299157 CVTGECFEUDJTRN-LJQANCHMSA-N 443.425 3.880 0 40 IHAB C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N1CC=C(c2c[nH]c3ncccc23)CC1 533022172 MOGFJQXBTUQWPO-KRWDZBQOSA-N 429.524 3.806 0 40 IHAB CNC(=O)c1cnn([C@@H]2CCCN(C(=O)C(C)(c3ccccc3)c3ccccc3)CC2)c1 585261745 FNUWBMXMDNWBHR-HSZRJFAPSA-N 430.552 3.803 0 40 IHAB Cn1cc([C@@H]2CN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)Cc3ccccc32)cn1 585406798 DDNLYSGTGZHCIC-IBGZPJMESA-N 437.443 3.655 0 40 IHAB C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)[C@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)C1 605689150 KOUQYDYTWOLFNN-LKUPVBHCSA-N 434.515 3.959 0 40 IHAB Cc1nc(N2CCN(C(=O)COc3ccccc3C)CC2)c2c3c(sc2n1)CCCC3 1332478 VAIMDXGIRALYIF-UHFFFAOYSA-N 436.581 3.915 0 40 IHAB Cc1cccc2cc(CN(Cc3cccnc3)C(=O)c3cccc(F)c3)c3nnnn3c12 1376855 AZWBPIPMHWNJCH-UHFFFAOYSA-N 426.455 3.963 0 40 IHAB C[C@H](c1nnc(SCC(=O)Nc2cccnc2Cl)n1Cc1ccccc1)N(C)C 2663344 PNRQMNQEHNTLFI-CQSZACIVSA-N 430.965 3.728 0 40 IHAB Cc1ccc2[nH]c(=O)c(CN(CCCO)S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2c1 6408137 BUZWVMLGBQAHGZ-UHFFFAOYSA-N 442.581 3.707 0 40 IHAB O=C(c1ccc(Br)cc1)N(Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 8384376 RQNWBBVJIGXWBB-QGZVFWFLSA-N 442.762 3.932 0 40 IHAB C[C@@H](NC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)c1nnc2n1CCCCC2 8726164 FYQOCTMMYQWVIC-IERDGZPVSA-N 430.508 3.950 0 40 IHAB CCOc1ccc(N2C(=O)N(c3cccc(C(F)(F)F)c3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 8828069 ROLXUASDTQVFEP-ROUUACIJSA-N 440.443 3.716 0 40 IHAB Cc1cc(C)nc(-n2nc(C)c([C@](O)(c3nc4ccccc4s3)C(F)(F)F)c2N)n1 8986677 QJVPUVGMDVEWOJ-SFHVURJKSA-N 434.447 3.578 0 40 IHAB O=C(COc1ccc(C(=O)c2ccccc2)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 9119853 BMLALBFQQPUOEC-UHFFFAOYSA-N 449.528 3.964 0 40 IHAB Cc1cc(C)c2sc(N(CC(C)C)C(=O)CN3C(=O)N[C@](C)(C4CC4)C3=O)nc2c1 9349192 JZYUOENTFQLKGD-JOCHJYFZSA-N 428.558 3.623 0 40 IHAB O=C(Nc1ccc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1)c1ccco1 9459998 YZMDYWQQNISTJZ-UHFFFAOYSA-N 430.464 3.652 0 40 IHAB COc1cccc(N2C[C@H](C(=O)Nc3nnc(C[C@@H](C)c4ccccc4)s3)CC2=O)c1 9614750 JWMIIUALQLFRAG-NVXWUHKLSA-N 436.537 3.885 0 40 IHAB CCOc1ccccc1-n1c(S)c(C(=O)NC(=O)NCc2ccccc2)[n+]2ccccc12 9630608 HOZSOAOWPZAUTR-UHFFFAOYSA-O 447.540 3.543 0 40 IHAB COc1ccccc1C(=O)Nc1cc(C)nn1-c1ncnc2c1cnn2-c1ccccc1 9661080 GILHAJMDUGVEOD-UHFFFAOYSA-N 425.452 3.571 0 40 IHAB CCOCCCn1c(SCC(=O)c2ccc(OC)cc2OC)nc2ccccc2c1=O 9663476 ZQOWSQSDPXCLOH-UHFFFAOYSA-N 442.537 3.815 0 40 IHAB O=C(Nc1ccccc1)C1CCN(C(=O)c2ccc(Cn3nnc4ccccc43)cc2)CC1 9712325 BPWBMBNKBHMNHK-UHFFFAOYSA-N 439.519 3.971 0 40 IHAB COc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)cc1 9713141 XQVYGIJIOMDOIU-UHFFFAOYSA-N 428.485 3.907 0 40 IHAB COC(=O)c1ccsc1NC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 9722549 FTFJZFUCANZUHV-UHFFFAOYSA-N 436.555 3.740 0 40 IHAB CCC[C@H](C(=O)Nc1cc(C)on1)N(CCC)CC(=O)Nc1ccc(F)c(F)c1F 9911191 WCJYEESFVYKZJS-OAHLLOKOSA-N 426.439 3.858 0 40 IHAB CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2ccc(F)c(Cl)c2)cc1 10489854 UHJXKVRAMCLXOC-UHFFFAOYSA-N 426.897 3.721 0 40 IHAB COc1cc(NC(=O)c2ccco2)c(C(=O)OCC(=O)c2cc(C)n(C)c2C)cc1OC 11288284 RCEUGQLBTRQNLC-UHFFFAOYSA-N 440.452 3.544 0 40 IHAB COc1ccc(OC)c([C@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@@H](C)Nc3ncnn32)c1 11694827 FTMPJZDZMYJWJV-HQOQDVMHSA-N 427.892 3.607 0 40 IHAB Cc1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(Br)cc2)no1 12028749 DOBHDHJUSCXADG-KRWDZBQOSA-N 428.286 3.725 0 40 IHAB O=C(c1c(F)cccc1F)N1CCC(Cn2nc(-c3ccc(F)cc3)ccc2=O)CC1 12155978 ODYTVUPSEPKFQC-UHFFFAOYSA-N 427.426 3.880 0 40 IHAB COc1ccc2c(c1)cc(C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ncc(C)s1)n2C 12325099 WIXSOCBVJZKTON-IBGZPJMESA-N 448.548 3.932 0 40 IHAB CN(Cc1ccc(Br)cc1)C(=O)CN1CCC[C@@H](C(=O)Nc2ccccc2)C1 12327008 WHEHKTFQUVSOKI-GOSISDBHSA-N 444.373 3.758 0 40 IHAB O=S(=O)(NCCCn1cnc2ccccc21)c1ccc(Br)cc1Cl 12559216 YWCAVCFIQIPTQH-UHFFFAOYSA-N 428.739 3.821 0 40 IHAB CCCOc1ccc2ccccc2c1CN(C)S(=O)(=O)c1cccc(S(C)(=O)=O)c1 12854715 OGEJQLZWVNJADU-UHFFFAOYSA-N 447.578 3.853 0 40 IHAB C[C@@H](Cc1cccs1)N(Cc1ccccc1)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 12880564 ZZHKLMIBJOKNQT-KRWDZBQOSA-N 449.619 3.974 0 40 IHAB CC[C@H](NC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)c1ccc(Br)cc1 12915267 KKZLOFSMBNASJQ-KRWDZBQOSA-N 426.314 3.986 0 40 IHAB O=S(=O)(c1cccc(CN(Cc2ccco2)Cc2cccs2)c1)N1CCOCC1 12951126 URMUZLSLTWHPJD-UHFFFAOYSA-N 432.567 3.564 0 40 IHAB COc1ccc(S(=O)(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)cc1NC(C)=O 12993370 IOBXCFOCUPJUSH-FQEVSTJZSA-N 434.514 3.922 0 40 IHAB Cc1cccc(C)c1-n1c(S[C@@H](C)c2nc(N)nc(N(C)C)n2)nc2ccccc2c1=O 13007886 YOYNNYOEVNUNKR-HNNXBMFYSA-N 447.568 3.689 0 40 IHAB COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)c(OC)c1 13513339 MURCILWVRZTRIQ-VABKMULXSA-N 448.450 3.894 0 40 IHAB CNC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccc(Br)cc3)ccc2s1 13584484 MTOYOAVUYVPQQG-UHFFFAOYSA-N 439.356 3.849 0 40 IHAB Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccc(OCC(N)=O)cc2)cc1 13585562 JDZBEOBPVBDOET-UHFFFAOYSA-N 444.940 3.908 0 40 IHAB Cc1cc(Br)ccc1NC(=O)CNC(=O)CN[C@H](C)c1ccccc1Cl 14199190 DABDGGPPZYGMSO-CYBMUJFWSA-N 438.753 3.816 0 40 IHAB CC[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1)c1ccc(OC)cc1 18131860 KBAUNWWMMFGKDT-JOCHJYFZSA-N 426.538 3.736 0 40 IHAB C[C@H](OC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O)C(=O)c1cccc(Cl)c1 18328423 RGFGSBQMJKLOIL-SUMWQHHRSA-N 441.867 3.543 0 40 IHAB O=C(CC1CCCC1)N1CCc2nc([C@@H]3CCCCN3C(=O)c3ccccc3)[nH]c(=O)c2C1 19368836 HQFXEEKXQNQLST-QFIPXVFZSA-N 448.567 3.602 0 40 IHAB O=C([C@H]1CSC(c2ccncc2)=N1)N1CCC2(CC1)Nc1ccccc1-n1cccc12 19374520 IMKWNTNFJOHPPY-LJQANCHMSA-N 429.549 3.678 0 40 IHAB C[C@H](C(=O)N1CCC[C@](Cc2ccccc2-c2cncnc2)(C(N)=O)C1)c1ccccc1 19459157 NIOAJCDPGAQZJY-AFMDSPMNSA-N 428.536 3.584 0 40 IHAB Cc1cc(C)cc(-c2ccc(C[C@H]3CN(C(=O)c4cnc(C)cn4)CCN(C)C3=O)cc2)c1 19569842 UWBVQYSNMCMMQL-DEOSSOPVSA-N 442.563 3.842 0 40 IHAB CNc1cc([C@H]2CCCN(C(=O)Cc3cc(OC)ccc3OC)C2)nc(-c2cccnc2)n1 19592164 PGJMGDIPEVDQCS-SFHVURJKSA-N 447.539 3.546 0 40 IHAB COCCCNC(=O)C1(C[C@@H]2CC(c3ccc(C(F)(F)F)cc3)=NO2)CCOCC1 19593298 UJUIIZUZCVKYRM-KRWDZBQOSA-N 428.451 3.538 0 40 IHAB Cc1cc(Cc2ccc(F)cc2)cc(C2CCN(C(=O)[C@H](C)CN3CCOCC3)CC2)n1 19691611 SHWJNSSJUUGMPY-LJQANCHMSA-N 439.575 3.794 0 40 IHAB CS(=O)(=O)N(Cc1ccccc1)c1ccc(OCC(=O)Nc2ccccc2F)cc1 22231069 WUSKJXDOPUIOKE-UHFFFAOYSA-N 428.485 3.809 0 40 IHAB COc1ccccc1N(CC(=O)N[C@H](C)c1ccc(F)cc1)S(=O)(=O)c1ccccc1 22429688 JKWMNFBOCDFJBK-QGZVFWFLSA-N 442.512 3.907 0 40 IHAB COc1ccc(F)cc1S(=O)(=O)NC[C@@H](c1cccs1)N1CCc2ccccc2C1 22908000 PBEMKKAOSOHBBD-IBGZPJMESA-N 446.569 3.974 0 40 IHAB c1ccc2c(c1)COC(CCN1CCN(CCC3OCc4ccccc4CO3)CC1)OC2 22924312 SJMCIHQCACFCEM-UHFFFAOYSA-N 438.568 3.530 0 40 IHAB Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)Nc1ccccc1C(=O)N1CCOCC1 22960522 AARXEEOXDABLLS-UHFFFAOYSA-N 430.570 3.874 0 40 IHAB O=C(CSc1nnc([C@@H]2COc3ccccc3O2)o1)N1CCSc2ccccc21 26436385 LNHFOJQYVSXPEO-INIZCTEOSA-N 427.507 3.813 0 40 IHAB O=C(Nc1nnc2ccccn12)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1 30692256 QQQSUXNOERZOMA-UHFFFAOYSA-N 445.863 3.575 0 40 IHAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@H](c1ccc(Cl)cc1Cl)SCC(=O)N2 31808106 OXDJFLLMKIHOAP-HNNXBMFYSA-N 446.323 3.929 0 40 IHAB CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)N2CCC[C@@H]2c2cccs2)cc1 32674902 OLZANBHDTGGKMP-LJQANCHMSA-N 434.583 3.715 0 40 IHAB O=C(Nn1cnc2scc(-c3cccs3)c2c1=O)[C@@H]1Cc2cc(Cl)ccc2O1 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Cc1cc(C)nc(-n2nc(C)c(CC(=O)Nc3cccc(Oc4cccnn4)c3)c2C)n1 78879138 ZBINPDZXCONIGI-UHFFFAOYSA-N 429.484 3.659 0 40 IHAB Cc1nc(Nc2ccccn2)cc(N2CCN(C(=O)Nc3ccc(F)cc3F)CC2)n1 90608009 QQAYTPMSDSBFTE-UHFFFAOYSA-N 425.443 3.556 0 40 IHAB O=C(CN1CCN2CCOc3cccc1c32)N1N=C(c2cccs2)C[C@H]1c1ccco1 95458275 AAERMEDTOMLHAI-SFHVURJKSA-N 434.521 3.738 0 40 IHAB O=S(=O)(c1ccc(Cl)cc1)[C@H]1CCN(S(=O)(=O)c2cccc3ccccc23)C1 96371205 GRFYOSKRRAHOCG-SFHVURJKSA-N 435.954 3.730 0 40 IHAB C[C@H](NS(=O)(=O)c1ccc(NC(=O)COc2ccccc2)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 104748320 ODVYQKCWCRCCHD-ORGXJRBJSA-N 428.554 3.807 0 40 IHAB Cc1ccccc1OC[C@H](C)NC(=O)COc1ccc(I)cc1 219835764 PRWKJEOOEVRCOD-AWEZNQCLSA-N 425.266 3.562 0 40 IHAB C[C@H](C(=O)NCCSCc1ccccc1Cl)N(c1ccccc1F)S(C)(=O)=O 220298246 QCTBSEZASMUOCP-CQSZACIVSA-N 444.981 3.683 0 40 IHAB COc1ccc(CN(C(=O)COc2ccc(Cl)cc2)[C@@H](C)C(=O)NCC(C)C)cc1 224454420 KWOMOJBBXHNMAV-KRWDZBQOSA-N 432.948 3.917 0 40 IHAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)COc1cc(OC)cc(OC)c1 225191311 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MIICGUPDGWUTGW-OAHLLOKOSA-N 432.571 3.547 0 40 IHAB COc1ccc(OC)c(NC(=O)CSc2nc3ncccc3c(=O)n2-c2ccccc2)c1 32876516 RVUVLHYPDLUKEQ-UHFFFAOYSA-N 448.504 3.529 0 40 IHAB Cc1nn2c(nc(Sc3nnc4n(C)c(=O)c5ccccc5n34)c3ccccc32)c1Cl 32899485 OIQPJSUZGKAWFQ-UHFFFAOYSA-N 447.911 3.890 0 40 IHAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 32904462 CZPHOVXLOOJFJA-DEOSSOPVSA-N 449.576 3.560 0 40 IHAB CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(C(=O)O)cc1 33803833 RMJXIDAYCNIDGN-UHFFFAOYSA-N 426.498 3.614 0 40 IHAB O=C(c1ccc(F)cc1)[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2[C@H]2CCCN21 35876785 XCJDYDWRJGYROE-NCXUSEDFSA-N 447.293 3.968 0 40 IHAB Cc1cc(OCCCC(=O)Nc2ccc(F)c(NC(=O)Cn3cncn3)c2)ccc1Cl 40114638 WHPAZJODTQGAIC-UHFFFAOYSA-N 445.882 3.815 0 40 IHAB Cc1cc(C)cc(-n2c(=O)c3ccccc3n(Cc3nc(-c4cccs4)no3)c2=O)c1 44166651 XLVJGAVWNFAJGO-UHFFFAOYSA-N 430.489 3.929 0 40 IHAB COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CC(C)C)c(OC)c1 51364620 MDGBIYFWMGZKLV-UHFFFAOYSA-N 427.526 3.801 0 40 IHAB Cc1ccc(Cl)cc1-n1ncc2c(=O)n(CC(=O)Nc3ccccc3Cl)cnc21 57428310 WHPWXGUOPHXXQD-UHFFFAOYSA-N 428.279 3.836 0 40 IHAB CCn1c(SCC(=O)Nc2nccs2)nnc1[C@@H](NC(=O)c1ccccc1)C(C)C 72191641 QRXMEMGISOKGHI-INIZCTEOSA-N 444.586 3.612 0 40 IHAB Cc1cc(-c2cnc(N3CCCC3)nc2C2CCN(C(=O)Cc3ccccc3O)CC2)on1 72335872 OILAOVPGJXPWFG-UHFFFAOYSA-N 447.539 3.695 0 40 IHAB Cc1ccccc1-n1c(N2CCOCC2)nnc1S(=O)(=O)Cc1cccc2ccccc12 79024207 TXCZEFJERGWQNF-UHFFFAOYSA-N 448.548 3.539 0 40 IHAB O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(I)cc1 95471731 ZFZZHZWUIBDANT-UHFFFAOYSA-N 439.640 3.925 0 40 IHAB CCCS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2c(CC)cccc2CC)cc1F 95977424 XMUHORJHOXGAEN-UHFFFAOYSA-N 428.551 3.903 0 40 IHAB Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1 102086379 JMKRAVKMURHGES-GCWMNCCDSA-N 426.516 3.598 0 40 IHAB CCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(O)cc4)[C@H]3C2=O)cc1 102706604 RIWJAXKQAMZFDW-XPWALMASSA-N 430.460 3.842 0 40 IHAB CC(=O)OC[C@]12CC[C@H]3[C@@H](C(=O)C[C@H]4C[C@@H](OC(C)=O)CC[C@]34C)[C@@H]1C[C@H](OC(C)=O)C2 118925013 SUMWMGNUBMBBTF-SDEVBKFBSA-N 448.556 3.615 0 40 IHAB CC[C@@H](C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)N(c1ccc(C)cc1)S(C)(=O)=O 219100886 CDIJXWVVPFFDEC-UXHICEINSA-N 430.570 3.958 0 40 IHAB CCCCc1ccc(NC(=O)[C@@H](C)N(c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 220236047 NCDAPLINXSINHR-MRXNPFEDSA-N 434.558 3.840 0 40 IHAB CC[C@@H](C(=O)NCc1ccc(OC)cc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 220685377 FCCMEKWHDWDAIS-KRWDZBQOSA-N 445.368 3.863 0 40 IHAB CCc1cccc(C)c1NC(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 222671833 QKANPWAVXFPFAV-UHFFFAOYSA-N 432.542 3.514 0 40 IHAB CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(Cl)cc1Cl 222825629 VHGVHXPRWXGJFZ-ZDUSSCGKSA-N 425.312 3.544 0 40 IHAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(OC)cc1 223083494 VKBJOOGEALILEY-RUZDIDTESA-N 446.547 3.850 0 40 IHAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2C2CCCCC2)N1CCN1CCOCC1 223149982 WXLQYVBAIAIHQG-GOTSBHOMSA-N 439.629 3.693 0 40 IHAB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NCCOc1ccc(Cl)cc1 223460773 DLOWACSQBAKHJY-UHFFFAOYSA-N 444.940 3.731 0 40 IHAB COCCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(NC(C)=O)cc1 223968370 MSXATJXFIPXIMR-FCHUYYIVSA-N 435.553 3.665 0 40 IHAB O=C(Nc1nnc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)s1)c1ccccc1 225173457 CYIVDWPXYMNBFA-UHFFFAOYSA-N 429.310 3.898 0 40 IHAB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2C)cc1C 225265055 BFTUKGDFAFXMKR-XZOQPEGZSA-N 449.580 3.799 0 40 IHAB CCC1(CC)C[C@H](NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)c2ccccc2O1 225788771 DOCMPCINMZSAKZ-FQEVSTJZSA-N 430.570 3.960 0 40 IHAB CCN(CC(=O)Nc1ccc(Br)cc1)S(=O)(=O)c1cc(C)ccc1C 225933463 OTUHYFZSVVTJAG-UHFFFAOYSA-N 425.348 3.715 0 40 IHAB CC(C)n1ccc(-c2nc(C(=O)N3CCN(C(=O)c4ccccc4)CC3)c3ccccn23)c1 306126671 FBPZYURRTDWVCY-UHFFFAOYSA-N 441.535 3.982 0 40 IHAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 408583330 HMPNLJMMOAMQLE-IBGZPJMESA-N 438.549 3.591 0 40 IHAB COc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2cc(OC)ccc2OC)cc1 408643304 ACNVUQLGLDFISF-UHFFFAOYSA-N 449.459 3.739 0 40 IHAB CC(C)c1ccc(CNC(=O)C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1 408708675 KNMUUNKJNOXNIM-UHFFFAOYSA-N 429.520 3.995 0 40 IHAB COCCN1C(=O)S/C(=C/c2cc(Br)c(O)c(Br)c2)C1=O 409133797 SAWYLLNIRDLAJL-UXBLZVDNSA-N 437.109 3.600 0 40 IHAB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)Nc1cc(Cl)cc(Cl)c1 409137488 VKNYFGBPEJCZBP-LLVKDONJSA-N 425.243 3.667 0 40 IHAB CCOc1cc(OCC)c(/C=C2/SC(=O)N(CCOC)C2=O)cc1Br 409139182 BAGXZJFJSSKLJR-OQLLNIDSSA-N 430.320 3.929 0 40 IHAB O=C(COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)NCc1ccccc1 409391727 OGZZTKCZQWCBSQ-UHFFFAOYSA-N 436.533 3.523 0 40 IHAB Cc1cc(S(N)(=O)=O)ccc1CNC(=O)N[C@H]1CCc2ccc(-c3ccccc3)cc21 507382725 QZXSZYRGLKRULN-QHCPKHFHSA-N 435.549 3.796 0 40 IHAB COc1ccc2nc(C[C@H]3CN(C(=O)NC4CCCCC4)CC[C@H]3CC(=O)O)[nH]c2c1 514288684 KMYZETPVUXGPDV-HOTGVXAUSA-N 428.533 3.569 0 40 IHAB biogenic,in-vitro COc1cc(Br)c(CNC(=O)c2cnnc(-c3ccccc3)c2)cc1OC 568334450 YBGHNOQGNNTUEH-UHFFFAOYSA-N 428.286 3.853 0 40 IHAB O=C(NC[C@@H]1CC[C@H]2CN(C(=O)c3cccnc3)c3ccccc3CN12)c1ccsc1 585110083 HBHIWNDLKZGPPR-SFTDATJTSA-N 432.549 3.567 0 40 IHAB CCOC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccccc3OC)n2CC)c1 649472 HFEHCWNJIIJSGS-UHFFFAOYSA-N 440.525 3.881 0 40 IHAB O=C(NN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1cccc(Cl)c1 840497 ZICMLKHLNQERCF-LIKPIUCQSA-N 428.875 3.877 0 40 IHAB COc1cccc(OCc2nnc(SCC(=O)N3CCCC3)n2Cc2ccccc2)c1 929039 JPZNLVKQGGYUCT-UHFFFAOYSA-N 438.553 3.629 0 40 IHAB O=C(NCc1ccccc1)[C@H](c1cccnc1)N(Cc1ccco1)C(=O)c1ccccn1 1376616 MRLVOHQALNZPRT-QHCPKHFHSA-N 426.476 3.770 0 40 IHAB CS(=O)(=O)N1CCc2cc(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)ccc21 1425972 VUGCWPLSJRIVEC-UHFFFAOYSA-N 434.583 3.857 0 40 IHAB CC[C@@H](C)N1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc(OC)cc2OC)C1=O 2156785 LCDZIVQXIKMJTE-DIUWLVJMSA-N 447.535 3.669 0 40 IHAB biogenic COCCCn1c(N)c(S(=O)(=O)c2cccc(Cl)c2)c2nc3ccccc3nc21 2415877 AVVZKZZAOZFXIU-UHFFFAOYSA-N 430.917 3.689 0 40 IHAB O=C1CN(C(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc23)c2ccccc2N1 3536347 BGIUVRXVJDTDJR-UHFFFAOYSA-N 427.416 3.637 0 40 IHAB C[C@@]1(c2ccccc2Br)NC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O 3594537 YKEKTYIXLJBVOI-SFHVURJKSA-N 436.693 3.508 0 40 IHAB CCCS(=O)(=O)N1C[C@@H]2C[C@H](C1)c1ccc(/C=C/c3ccc(Cl)cc3)c(=O)n1C2 4237259 ULZZBJARJCIEPL-LPRVLWEOSA-N 432.973 3.831 0 40 IHAB biogenic,in-vitro COc1ccc(C(=O)NC(=S)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1 6289638 PMJLCCSYMBZXSI-UHFFFAOYSA-N 431.473 3.623 0 40 IHAB Cc1cccc(-c2ccc3c(c2)C(=O)N2CC[C@H](NC(=O)C4CCCC4)[C@H]2C(=O)N3)c1C 8296875 GCVFHVANSRVOFW-GOTSBHOMSA-N 431.536 3.812 0 40 IHAB biogenic,in-vitro Cc1ccc(C)c(OCC(=O)N[C@H]2CCCC[C@@H]2NC(=O)COc2cc(C)ccc2C)c1 8400228 FUGXZDRQTPNBAF-VXKWHMMOSA-N 438.568 3.922 0 40 IHAB CCCCNS(=O)(=O)c1ccc2[nH]c(SCC(=O)Nc3cccc(F)c3)nc2c1 8686300 VNOQTPONBCUIOD-UHFFFAOYSA-N 436.534 3.511 0 40 IHAB CCN(CC)C(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccc(Br)cc1 8691057 NTLJAYXNYZANSA-BOPFTXTBSA-N 445.313 3.817 0 40 IHAB COc1ccc(CCNC(=O)c2ccccc2OCc2cn3ccccc3n2)cc1OC 8720053 APFVTNXPVPDUDI-UHFFFAOYSA-N 431.492 3.903 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2nc(C)c(C(=O)Nc3ccc4c(c3)OCO4)s2)cc1 8978926 WHUGVZKRNNODKC-UHFFFAOYSA-N 431.495 3.542 0 40 IHAB COc1ccc(-c2noc(CNC(=O)COc3cc(C)c(Br)c(C)c3)n2)cc1 9031571 AVQKXPDLJJPAES-UHFFFAOYSA-N 446.301 3.820 0 40 IHAB Cn1c(CCN2CCCC2=O)nc2cc(NC(=O)c3ccc(-n4cccc4)cc3)ccc21 9060507 QQJQEBHCZCNHOU-UHFFFAOYSA-N 427.508 3.781 0 40 IHAB COc1ccc(S(=O)(=O)N(Cc2ccco2)Cc2cc3ccc(C)cc3[nH]c2=O)cc1 9186954 TWJVZDYUVBHSQE-UHFFFAOYSA-N 438.505 3.829 0 40 IHAB CCn1c(CC(=O)Nc2ccccc2F)nnc1S[C@@H](C)C(=O)Nc1nc(C)cs1 9264026 BBMWOOSGDQDSJS-LBPRGKRZSA-N 448.549 3.503 0 40 IHAB CCn1c(CC(=O)Nc2ccc(F)cc2)nnc1S[C@H](C)C(=O)Nc1nc(C)cs1 9264092 PQOPHAZZKJDWMD-GFCCVEGCSA-N 448.549 3.503 0 40 IHAB CCCCOc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCN(C(=O)OCC)C3)cc1 9638898 HEGPEFUUHQNTIH-UHFFFAOYSA-N 445.541 3.793 0 40 IHAB CN(Cc1ccc2c(c1)OCCO2)C(=O)CSc1nnc(C2CC2)n1-c1ccccc1 9640796 RYYUDGRAFCIQFU-UHFFFAOYSA-N 436.537 3.667 0 40 IHAB CCOc1ccc(NC(=O)Cc2csc(NC(=O)c3ccc4c(c3)OCO4)n2)cc1 9659290 UMWFIXQIZDSVAC-UHFFFAOYSA-N 425.466 3.704 0 40 IHAB CCn1c(S[C@@H](C)C(=O)Nc2sc3c(c2C(N)=O)CCC3)nnc1-c1ccoc1C 9665124 VDPJMKCONLPHHS-NSHDSACASA-N 445.570 3.635 0 40 IHAB COc1ccc(C(=O)N[C@H](C(=O)OCC(=O)Nc2cccc3ccccc23)C(C)C)cc1 9665764 MOVFYNKGPAUGBO-QHCPKHFHSA-N 434.492 3.785 0 40 IHAB CS(=O)(=O)Nc1ccc(C2=NN(C(=O)c3cccc(F)c3)[C@H](c3ccco3)C2)cc1 9673715 HUDURDYMNQYWKL-IBGZPJMESA-N 427.457 3.782 0 40 IHAB Cc1ccc2c(c1)CCCN2CC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl 9792354 ANSLJNDBOHJKAX-UHFFFAOYSA-N 447.988 3.824 0 40 IHAB CCN(Cc1ccc2c(c1)OCO2)C(=O)CSc1nnc(-c2ccncc2)n1C1CC1 9865903 GZTPYPNFMIHDSU-UHFFFAOYSA-N 437.525 3.545 0 40 IHAB COc1ccccc1NC(=O)CSc1ccc(-c2cc(OC)c(OC)c(OC)c2)nn1 10220843 XAFIWLNXEYGMOV-UHFFFAOYSA-N 441.509 3.909 0 40 IHAB Cc1ccc(NC(=O)CNc2ccc(NC(=O)C3CC3)cc2)cc1I 10943922 DSKBSLMOWXKEPQ-UHFFFAOYSA-N 449.292 3.999 0 40 IHAB COc1ccc(-c2cc(C(=O)Nc3ccccc3Cl)nn2[C@@H]2CCS(=O)(=O)C2)cc1 11996865 AYZYZQCGXCTZAE-OAHLLOKOSA-N 445.928 3.824 0 40 IHAB O=C(c1ccc2c(c1)OCO2)N1CCC2(CC1)C[C@]1(CO2)Nc2ccccc2-n2cccc21 12086205 QUOBKBFRUNFIDA-AREMUKBSSA-N 443.503 3.922 0 40 IHAB CC(C)c1nccn1CCC(=O)N1CCC[C@H](n2nc(-c3cccs3)ccc2=O)C1 12116182 UKCUTDFDQSLAKM-KRWDZBQOSA-N 425.558 3.546 0 40 IHAB Cc1cccc(NC(=O)Cn2c(=O)n(-c3ccccc3)c(=O)c3oc4ccccc4c32)c1 12140711 LGWFKWZDSNYNGI-UHFFFAOYSA-N 425.444 3.846 0 40 IHAB CS(=O)(=O)N1CCC[C@H](c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)C1 12257434 QCNTZRVAQFATLQ-NSHDSACASA-N 430.477 3.616 0 40 IHAB Cc1c(C)c2cc(Cl)c(OCC(=O)NC[C@@H]3CCCN4CCCC[C@H]34)cc2oc1=O 12296838 SMAAEEZQLDVJIR-QFBILLFUSA-N 432.948 3.823 0 40 IHAB biogenic COc1ccc(Cl)cc1NC(=O)CSc1nc2c(=O)[nH]cnc2n1-c1ccccc1 12371147 OHIZWTFQEFBXCZ-UHFFFAOYSA-N 441.900 3.502 0 40 IHAB biogenic,in-vitro O=C(Cn1cnc2c(sc3ncccc32)c1=O)Nc1ccc(Br)cc1F 12415180 VLRIWVAZQFDJQT-UHFFFAOYSA-N 433.262 3.547 0 40 IHAB O=C(NCCOc1ccc2nnc(-c3ccccc3)n2n1)c1ccccc1C(F)(F)F 12443210 NNQFRDMMLSBTSI-UHFFFAOYSA-N 427.386 3.619 0 40 IHAB COc1ccc(NC(=O)N(CCN2CCCC2)Cc2cc3cc(C)ccc3[nH]c2=O)cc1 12711773 XZLUFMSKQUJSSJ-UHFFFAOYSA-N 434.540 3.975 0 40 IHAB COc1cc(/C=C/C(=O)OCc2cc(-c3ccc(Cl)cc3)no2)ccc1OCC(N)=O 12902507 IKEIHOIBRLEHHR-YCRREMRBSA-N 442.855 3.624 0 40 IHAB O=C(Nc1ccc(Br)cc1)c1sccc1S(=O)(=O)N1CCCCC1 12995605 GIOCHISGEKTIPX-UHFFFAOYSA-N 429.361 3.938 0 40 IHAB Cc1ccc(-n2nnnc2SCCC(=O)Nc2ccc(Br)cc2F)cc1 13001568 ZWEUQGHWTNVFMC-UHFFFAOYSA-N 436.310 3.993 0 40 IHAB COc1cc(OC)cc(C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)Cc2cccs2)c1 13511358 CTZXETMCYKGMRJ-UHFFFAOYSA-N 435.505 3.844 0 40 IHAB CN(C)c1ccc(C[C@@H]2[C@@H](O)c3ccccc3S(=O)(=O)N2CCc2ccccc2)cc1 13691840 SCLJADJNGOUNQD-NOZRDPDXSA-N 436.577 3.644 0 40 IHAB CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2ccco2)CC3)cc1C 13696617 MWPMJKVEAWTDPK-UHFFFAOYSA-N 426.494 3.990 0 40 IHAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)n2c(s/c(=C/c3ccoc3)c2=O)=N1 13881938 BBBDYXPIASBCAD-VOMPUTFMSA-N 447.541 3.528 0 40 IHAB Cc1ccsc1CN(C(=O)COc1cc(C)c(Cl)c(C)c1)[C@H]1CCS(=O)(=O)C1 16742556 WXVMEADKLUQYDU-INIZCTEOSA-N 442.002 3.921 0 40 IHAB Cc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccc6c(c5)OCO6)no4)ccn3n2)cc1C 16842762 CXKZQGXOWWXHCH-UHFFFAOYSA-N 441.447 3.607 0 40 IHAB O=C1CCCN1c1ccc(CSc2n[nH]c(=O)c3cc(-c4ccc(F)cc4)nn23)cc1 16843987 BEVPGLJMVKBOJP-UHFFFAOYSA-N 435.484 3.643 0 40 IHAB O=C1C[C@@H](c2nc3ccccc3n2C[C@@H](O)COc2ccccc2)CN1c1ccccc1 16902950 RDJRWEXZNAMDGE-TZIWHRDSSA-N 427.504 3.997 0 40 IHAB Cc1cc(S(=O)(=O)NCCc2csc3nc(-c4ccccc4C)nn23)ccc1F 17136130 GWRFQSSVXFBDTH-UHFFFAOYSA-N 430.530 3.735 0 40 IHAB Cc1cccc(OCCNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)c1 17479714 FCSOJJYNVGVCIA-UHFFFAOYSA-N 442.512 3.525 0 40 IHAB COc1ccc(-c2nnc([C@@H](C)OC(=O)C[C@H]3Sc4ccccc4NC3=O)o2)cc1 18480244 MOUXSMXOEDZANZ-SJKOYZFVSA-N 425.466 3.853 0 40 IHAB COc1ccc(Cl)cc1COC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2C(C)C 18600226 RIZVZNZNZTYFNS-QHCPKHFHSA-N 442.899 3.779 0 40 IHAB COc1cccc(-c2cc(C(=O)N[C@H](Cc3cc(=O)[nH]c(C)n3)c3ccc(F)cc3)no2)c1 19285381 MJZZRLCJMSZBSL-HXUWFJFHSA-N 448.454 3.595 0 40 IHAB CC(C)c1nc(C[C@H](NC(=O)c2ccc3c(c2)ncn3C)c2ccc(F)cc2)cc(=O)[nH]1 19453524 TZPNSTZVVNYZID-IBGZPJMESA-N 433.487 3.633 0 40 IHAB CCC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2ccc(OC(C)C)cc2)cc1 19641585 HSJBOTLFEQKICR-UHFFFAOYSA-N 444.582 3.824 0 40 IHAB Cc1nc(C2CCN(C(=O)c3nccn3C)CC2)nc2c1CCCN2Cc1ccc(F)cc1 19753072 YPJBXFXZLCXXTL-UHFFFAOYSA-N 448.546 3.630 0 40 IHAB CCOc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 19860150 KQGDEFVKIOEKMO-KRWDZBQOSA-N 436.961 3.919 0 40 IHAB Fc1ccc(C(c2ccc(F)cc2)N2CCN(Cc3nnnn3-c3ccccc3)CC2)cc1 22089157 BWOYNYHEGJMLNF-UHFFFAOYSA-N 446.505 3.848 0 40 IHAB C[C@@H](NC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(F)cc1 22536846 RFTUYYVPGUUDCT-MRXNPFEDSA-N 428.485 3.883 0 40 IHAB Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)N[C@H](C)c1ccc(F)cc1 22537275 IONYJXZATVPFBE-QGZVFWFLSA-N 434.533 3.565 0 40 IHAB Cc1nc2sc([C@H](c3cccc(Br)c3)N3C[C@@H](C)O[C@H](C)C3)c(O)n2n1 22626693 JCKYSIBHMXJEEI-HFAKWTLXSA-N 437.363 3.766 0 40 IHAB COC[C@H](C)n1c(SCC(=O)Nc2ccnn2C2CCCC2)nc2ccccc2c1=O 23632336 IRUKTOOMLJAITO-HNNXBMFYSA-N 441.557 3.646 0 40 IHAB CC(C)c1cc(C(=O)OCCCN2C(=O)c3ccccc3C2=O)c2cnn(C(C)C)c2n1 24846175 QBHAAVNFYLYGII-UHFFFAOYSA-N 434.496 3.979 0 40 IHAB O=c1c2sc(-c3ccc(F)cc3)cc2ncn1C[C@H](O)COCc1ccccc1F 25045436 NEHBOIRASAODJY-KRWDZBQOSA-N 428.460 3.981 0 40 IHAB COc1ccc(CN2C(=O)/C(=C\NCCOc3ccccc3)c3ccccc3C2=O)cc1 26526803 FMNXDAFCKZBEQI-ULJHMMPZSA-N 428.488 3.887 0 40 IHAB O=C(NCc1ccco1)[C@H]1CCCN1CC(=O)N(CC(F)(F)F)c1ccc(Cl)cc1 27143929 FUGMFJXVGWTVPZ-QGZVFWFLSA-N 443.853 3.609 0 40 IHAB O[C@]1(c2ccc(Br)cc2)CN(c2ccc3c(c2)OCO3)C2=[N+]1CCCCC2 27525140 QWCXTTRTYHJDEZ-NRFANRHFSA-N 430.322 3.828 0 40 IHAB CC[C@H](NS(=O)(=O)c1ccc(OC)c(I)c1)c1ccccc1 30852287 GYIBIXOOLOTOFO-HNNXBMFYSA-N 431.295 3.729 0 40 IHAB COCCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nc2cc(Cl)ccc21 32881415 SUYIJUGVQBZDRU-UHFFFAOYSA-N 433.917 3.838 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)[C@@H]3CCCc4ccccc43)C2)s1 32903923 BBHCYZCFJYEUFN-AZUAARDMSA-N 432.611 3.993 0 40 IHAB COc1ccc(C[C@H](NC(=O)C2CCN(c3ncccn3)CC2)c2ccc(OC)cc2)cc1 32926161 JATMRCCNGCXXAG-DEOSSOPVSA-N 446.551 3.810 0 40 IHAB CC(=O)NCCCCCC(=O)OCC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccco1 32936170 TZCDUIFEEPLAEF-OAQYLSRUSA-N 439.512 3.505 0 40 IHAB O=C(NCc1ccccc1)[C@@H](c1cccs1)N(Cc1cccnc1)C(=O)c1csnn1 35310896 JZTJHPYKVHXOHH-HXUWFJFHSA-N 449.561 3.695 0 40 IHAB Cc1sc(NC(=O)CN(Cc2cccs2)C(=O)c2ccccc2F)c(C(N)=O)c1C 35312280 LMANIHHVXVHROM-UHFFFAOYSA-N 445.541 3.946 0 40 IHAB CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCN(Cc2csc(C(C)(C)C)n2)CC1 40118642 WNRJADQNDCKGIY-HXUWFJFHSA-N 442.629 3.539 0 40 IHAB Cc1ccc(OCc2cc(=O)n3c(ncn3C(C)C)n2)c(NC(=O)c2ccccc2F)c1 41089799 DUVWPGLZIROQOE-UHFFFAOYSA-N 435.459 3.751 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)c(Cl)c1 44885125 YMVWUHULPBLTGA-UHFFFAOYSA-N 438.933 3.538 0 40 IHAB CN1CCN(c2ccc(-c3noc([C@@H]4CCCN4Cc4c[nH]c5ccccc45)n3)cn2)CC1 49155124 ODOFHPSSCSXOKD-QFIPXVFZSA-N 443.555 3.702 0 40 IHAB biogenic,in-vitro Cc1ccc(Cl)cc1NC(=O)Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21 57428792 KWNKIACQRMTBFW-UHFFFAOYSA-N 425.897 3.814 0 40 IHAB CC(C)C(=O)Nc1nc(CC(=O)NCc2cccc(CN3CCCCCC3)c2)cs1 58218821 ZGWAQIPJSKSWOT-UHFFFAOYSA-N 428.602 3.973 0 40 IHAB CC(C)N(C(=O)CN1C(=O)N2CCCN=C2c2cnn(-c3ccccc3Cl)c21)C(C)C 72336714 PURFBNSDNOPCOZ-UHFFFAOYSA-N 442.951 3.563 0 40 IHAB Cc1cnn(CCC(=O)N2CCC(Cc3ccccc3-c3cccs3)(C(N)=O)CC2)c1 72345084 ZXFOBPMBVBFRFP-UHFFFAOYSA-N 436.581 3.647 0 40 IHAB Cc1nc([C@@H]2CCCN2C(=O)c2ccc(N)nc2)nc2c1CCCN2CCc1ccccc1 72373828 NUASTPINBIFSIC-QFIPXVFZSA-N 442.567 3.735 0 40 IHAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCC1CCN(C(=O)/C=C/c2ccco2)CC1 77200920 GPQHBMRJECKKHJ-CMDGGOBGSA-N 436.487 3.501 0 40 IHAB O=S(=O)(Cc1ccc(F)c(Cl)c1)NC[C@@H](c1ccccc1Cl)N1CCOCC1 84501677 GAANIQQBIOEQIY-IBGZPJMESA-N 447.359 3.625 0 40 IHAB Cc1nnc(NC(=O)CCc2nc(CSc3nc4cc(C)c(C)cc4[nH]3)no2)s1 95481958 CONLQXMOYSWIIO-UHFFFAOYSA-N 429.531 3.586 0 40 IHAB Cc1nc(-c2cc(C(=O)NCCc3ccccn3)c3ccccn23)cn1-c1nccs1 96266841 ORCQKRFELYYWIL-UHFFFAOYSA-N 428.521 3.924 0 40 IHAB Cc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@H]6C[C@H]56)[C@@H]4C3=O)cc2)cc1 101079764 DSQGBAWXLOHXGX-XPUPLBFISA-N 441.483 3.592 0 40 IHAB COc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC[C@H](C)C[C@H]4C3=O)cc2)cc1 103699067 OZENKDBZZCUWAR-IWMITWMQSA-N 435.476 3.661 0 40 IHAB CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(OC)c2)=N[C@@H]1c1ccccc1 104732075 YTLBAZQEEFBHMW-OAQYLSRUSA-N 439.537 3.905 0 40 IHAB Cc1cc(S(=O)(=O)NCCSCc2ccc(Cl)cc2)ccc1N1CCCC1=O 216389587 PFMYHQKINOOECJ-UHFFFAOYSA-N 439.002 3.987 0 40 IHAB CCN(c1ccc(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1)S(=O)(=O)CC 222398583 UKESXFNWMSIRHN-UHFFFAOYSA-N 431.558 3.643 0 40 IHAB CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)COc1ccccc1OC 223675187 PPEARUMIKZHPQM-HXUWFJFHSA-N 426.557 3.839 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)NCC2=CCCCC2)c2ccc(F)cc2)cc1 223903184 OOHCGHNNRKYXFM-UHFFFAOYSA-N 432.517 3.646 0 40 IHAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-n3cnnc3)c2C)c1 224523762 RLUODKJZRPBCAQ-VXKWHMMOSA-N 445.552 3.589 0 40 IHAB Cc1ccc(OCCNC(=O)CCCN(c2c(C)cccc2C)S(C)(=O)=O)c(C)c1 224652830 JYSSLNOMQMNLSI-UHFFFAOYSA-N 432.586 3.662 0 40 IHAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc2c(c1)OCCO2 225197648 LAAQVKLYGYDQEU-SFHVURJKSA-N 442.531 3.863 0 40 IHAB C[C@H]1C[C@@H](C)CN(c2cc(N3CCOCC3)nc(NC(=S)NC3CCCCCC3)n2)C1 226010153 VEUNNLQPCUJBAR-HDICACEKSA-N 446.665 3.805 0 40 IHAB COc1ccccc1-c1ccccc1C[C@@H]1C(=O)N(C)CCN1C(=O)c1cc(C(C)C)n[nH]1 257199683 AALWIMLPGJOXIU-HSZRJFAPSA-N 446.551 3.734 0 40 IHAB CC(=O)NCCCCCC(=O)N1CC[C@@H]2O[C@@H]3c4cccc(O)c4OC(C)(C)[C@H]3C[C@H]2C1 257267516 MHPWHUSFHDZDMV-RAKJYXHLSA-N 444.572 3.554 0 40 IHAB COc1ccc2c(CN3CCO[C@H](c4cccc(Nc5ncccn5)n4)C3)cn(C)c2c1 257290852 QEPMHXUWHYBKFC-QFIPXVFZSA-N 430.512 3.689 0 40 IHAB CCn1cc(S(=O)(=O)N2CCC(c3cccc(Nc4nc(C)cs4)n3)CC2)c(C)n1 257313438 USJSZRQLIJYQHF-UHFFFAOYSA-N 446.602 3.683 0 40 IHAB CC[C@@H](NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(C)ccc2O1)c1ccc2c(c1)CCCC2 260943126 UECXXGRDRXHNQP-NFBKMPQASA-N 442.581 3.668 0 40 IHAB CC(C)n1cnc([C@@H]2CN(Cc3ccsc3)C[C@]23CCN(Cc2ccncc2)C3=O)c1 306139319 SUOHZGZVYLOBHQ-XUZZJYLKSA-N 435.597 3.939 0 40 IHAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1Cl 408552266 KWTNRIGDGVMKDG-VIFPVBQESA-N 437.732 3.961 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3F)CC2)cc1C 408556839 DTTBYGUXHDXZSW-UHFFFAOYSA-N 438.496 3.711 0 40 IHAB Cc1ccc(C)c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)c1 408672785 ZZNGVWMXVPCEBN-PMACEKPBSA-N 432.476 3.555 0 40 IHAB CC(C)Oc1ccccc1CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 408708727 LPAMHCBTJSUWOE-UHFFFAOYSA-N 445.519 3.659 0 40 IHAB CCn1c(CNC(=O)Cc2ccccc2)nnc1SCC(=O)Nc1ccc(C)cc1C 409152087 DIMRMUWIVVITIH-UHFFFAOYSA-N 437.569 3.505 0 40 IHAB O=C(CN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)Nc1ccc2c(c1)OCCO2 409201859 QRTNRYCSESMCHM-RQZCQDPDSA-N 430.869 3.786 0 40 IHAB CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC(=O)c2ccc(Oc3ccccc3)nc2)s1 584787568 RSKSURKXQIAWFT-KGLIPLIRSA-N 425.514 3.681 0 40 IHAB O=C(NC[C@H]1CC[C@H]2CN(C(=O)c3cccnc3)c3ccccc3CN21)c1ccsc1 585110082 HBHIWNDLKZGPPR-RTWAWAEBSA-N 432.549 3.567 0 40 IHAB Cc1cc(Nc2ncc(CC(F)(F)F)s2)nc(C2CCN(C(=O)C(C)(C)N)CC2)n1 585263016 HKVFZLVWQBISLB-UHFFFAOYSA-N 442.511 3.533 0 40 IHAB Cc1nc(/C=C/C(=O)N2CCC[C@H](c3nccnc3Nc3nc(C)c(C)s3)C2)cs1 585291969 WHXVMPWUQLFQFW-MOEXGYKKSA-N 440.598 4.478 0 40 IHAB COc1c2c(c(CNC(=O)c3ccc(-c4ccccc4)cc3)c3c1C(=O)N(C)CC3)OCO2 604404098 JADNBQYAWNXMSF-UHFFFAOYSA-N 444.487 3.649 0 40 IHAB biogenic Cc1cnc([C@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)o1 679354252 XQCYDLXLYDEZPI-NSHDSACASA-N 425.919 3.990 0 40 IHAB COc1cc([C@@H]2C3=C(O)N(C(C)=O)CC3=Nc3cccc4[nH]cc2c34)cc2c1OCCO2 1547204190 MILCXZYGMORGLU-FQEVSTJZSA-N 431.448 3.797 0 40 IHAB Cc1nc(-c2cccs2)sc1C(=O)N1CCN(c2ccc(C(F)(F)F)nn2)CC1 1888944391 ZGMVKNRWSDDGKV-UHFFFAOYSA-N 439.488 3.951 0 40 IHAB CCN(C(=O)c1c[nH]nc1C1CCC(CNC(=O)c2cnc(C)cn2)CC1)c1ccccc1 2037834473 IMZCFGMVDBUFHQ-UHFFFAOYSA-N 446.555 3.879 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)cc1 897864 RSUKPQVIBJAOED-UHFFFAOYSA-N 428.535 3.547 0 40 IHAB CCc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccccc3C(F)(F)F)CC2=O)cc1 1290017 WSLSHXCFGXASOD-HNNXBMFYSA-N 434.414 3.803 0 40 IHAB CCOc1ccc2nc(NC(=O)CSc3nnnn3-c3cccc(F)c3)sc2c1 1353658 GLNNEJNDVDZHIU-UHFFFAOYSA-N 430.490 3.541 0 40 IHAB COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-c2cc(C(C)(C)C)ccc2O)cc1 2422678 WNOBJJKHVWMXPU-UHFFFAOYSA-N 433.508 3.707 0 40 IHAB Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2c(Br)cnn2C)cc1 2760164 WOVBAZGHCQZXGE-UHFFFAOYSA-N 449.330 3.544 0 40 IHAB Cc1ccc2c(=O)cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3)oc2c1 8612195 VYUIRQKYEAYVMC-UHFFFAOYSA-N 440.521 3.918 0 40 IHAB O=C(Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1)c1ccc(N2C(=O)CCC2=O)cc1 8680725 TYWWHFTVOYQXKL-UHFFFAOYSA-N 436.537 3.912 0 40 IHAB O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 8965807 JERKOPHBERIMOH-UHFFFAOYSA-N 444.450 3.949 0 40 IHAB COc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)NCc2ccc(C)cc2)cc1Cl 9238643 FILXEVQQHXEUBN-OALUTQOASA-N 443.960 3.632 0 40 IHAB COc1ccc(OC)c(NC(=O)CSc2nnc(COc3c(C)cccc3C)n2C)c1 9263050 OCYJUDKYZWQMHZ-UHFFFAOYSA-N 442.541 3.759 0 40 IHAB CCn1c(SCC(=O)NC2CCCC2)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1 9263732 OIZFKPGLCKYTGP-ZDUSSCGKSA-N 435.981 3.593 0 40 IHAB CN(Cc1ccc2c(c1)OCCO2)C(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 9367452 FCHOXNXAOKKDGD-UHFFFAOYSA-N 438.505 3.531 0 40 IHAB O=C(CSc1nnc(CNC(=O)c2c(F)cccc2F)o1)Nc1cccc(Cl)c1 9518633 UUKUNPPMSNIWJN-UHFFFAOYSA-N 438.843 3.662 0 40 IHAB Cc1cc(C(=O)CSc2nnnn2C[C@@H]2CCCO2)c(C)n1CCc1ccc(F)cc1 9640278 UGPBTBBCHLMSML-IBGZPJMESA-N 443.548 3.627 0 40 IHAB Cc1cc(NC(=O)Cc2cccs2)n(-c2ncnc3c2cnn3-c2ccc(F)cc2)n1 9661237 YVGMMLHXSJGONY-UHFFFAOYSA-N 433.472 3.691 0 40 IHAB C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O)c1cc2ccccc2o1 9876885 XUCXZSDJEDWVJD-ODCWNRFASA-N 431.492 3.566 0 40 IHAB CCc1ccc(Oc2nc3c(c(=O)n(Cc4c(F)cccc4Cl)c(=O)n3C)n2C)cc1 9886103 ASKVYIONTDLZON-UHFFFAOYSA-N 442.878 3.629 0 40 IHAB CC(C)CCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3ccc(F)cc3)nnc12 10058669 QRMCVNNZWAKTLP-UHFFFAOYSA-N 439.516 3.960 0 40 IHAB COc1cn(CC(=O)Nc2cc(C)ccc2C)c(CSc2nc(C)cc(C)n2)cc1=O 10255003 PGGIWLPUUOPSLD-UHFFFAOYSA-N 438.553 3.812 0 40 IHAB Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)NCCCOC(C)C)cc3C[C@@H]2C)cc1 10327115 ITRGGPDONQHKME-SFHVURJKSA-N 430.570 3.680 0 40 IHAB O=C(NC1CCN(C(=O)NCCc2ccc(Br)s2)CC1)c1ccccc1 10360465 DFDPHVJBGDYBBN-UHFFFAOYSA-N 436.375 3.657 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C)c2)c2ccccc2F)cc1 10447718 HNVHWKOEDRYBQZ-UHFFFAOYSA-N 426.513 3.954 0 40 IHAB O=C(C[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)NCCc1ccc(Cl)cc1 11612836 NZFJKJYOYBQAHG-IBGZPJMESA-N 438.952 3.771 0 40 IHAB Cc1ccc(Cn2nnc3c(SCC(=O)N4CCCc5ccccc54)ncnc32)cc1 11758453 OHXZBZSPZLIMOW-UHFFFAOYSA-N 430.537 3.650 0 40 IHAB CCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)Cc1c[nH]c2ccccc12 12526761 BJISSRCXWRWXMD-UHFFFAOYSA-N 428.558 3.811 0 40 IHAB COc1ccccc1-c1nc(CSc2nc3nc(C)c(CC(=O)O)c(C)n3n2)cs1 12817564 LJYHGMQMWNAQFZ-UHFFFAOYSA-N 441.538 3.793 0 40 IHAB CCN(CC)S(=O)(=O)c1cccc(C(=O)OCc2ncc(-c3ccc(F)cc3)o2)c1 12903272 GCHBSTNKRVZGSD-UHFFFAOYSA-N 432.473 3.868 0 40 IHAB Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)N2C[C@@H](C(N)=O)Oc3ccccc32)c1 12936846 FPHWMNKRNHAXLP-QHCPKHFHSA-N 438.487 3.741 0 40 IHAB CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 12999681 YZSQYGPBGRLFPC-JOCHJYFZSA-N 439.531 3.523 0 40 IHAB CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCC(C(=O)Nc2ccccc2)CC1 13008969 JQTBGQJCLDPBDW-JOCHJYFZSA-N 437.540 3.815 0 40 IHAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 13039084 SVKJHJYETPLDDP-INIZCTEOSA-N 446.503 3.750 0 40 IHAB O=C(NCc1ccccc1)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 13073667 IQWWSJSAXCFFRH-UHFFFAOYSA-N 438.505 3.579 0 40 IHAB Cc1ccc([C@@H](C)N2c3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCC[C@H]32)cc1 13145657 CKBLYSLKUICESQ-WZONZLPQSA-N 427.570 3.523 0 40 IHAB COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)Nc3cccc4ccccc34)C2=O)cc1 13653652 DTRZSWNIQGRJOL-QFIPXVFZSA-N 431.492 3.730 0 40 IHAB CCNC(=O)c1cc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)ccc1OC 13681909 RCSLDXIOVZJFBC-UHFFFAOYSA-N 438.549 3.836 0 40 IHAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 14372534 UIVXBFHPFYWCNO-UHFFFAOYSA-N 428.901 3.884 0 40 IHAB COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)COc2ccccc2OC)cc1 15437346 IZIOCZAOVFDZOQ-UHFFFAOYSA-N 442.493 3.522 0 40 IHAB CC1CCC(NC(=O)c2cccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)c2)CC1 15949235 XTWVREIKTHTKJV-UHFFFAOYSA-N 441.597 3.506 0 40 IHAB C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)OCC(=O)c3ccccc3)ccc2Cl)C1 16051175 XGTMXOJUFADSMM-OAHLLOKOSA-N 435.929 3.800 0 40 IHAB CCOC(=O)N1CCN([C@H](c2cccc(Cl)c2)c2sc3nc(CC)nn3c2O)CC1 16690213 KBSYGJSFRKOHPK-MRXNPFEDSA-N 449.964 3.576 0 40 IHAB Cc1ccc(C(=O)N2CCc3nc([C@H]4CCCN(C(=O)C5CCCC5)C4)nc(O)c3C2)cc1 19135515 PZGDVFMFQMLZLK-FQEVSTJZSA-N 448.567 3.585 0 40 IHAB Cc1nc(C)n(C[C@@H](C)C(=O)N[C@@H](CCc2ccccc2)c2ccc3c(c2)OCCO3)n1 19285896 YSWOAUHXDORNTB-VGSWGCGISA-N 434.540 3.793 0 40 IHAB CC(C)NC(=O)[C@@H]1CN(Cc2ccc(C(C)C)cc2)C[C@H]1c1ccnc(N2CCCC2)n1 19453308 BREYOHBDXJUWFG-DHIUTWEWSA-N 435.616 3.940 0 40 IHAB CCCN1CCN(C(=O)c2ccn(C)n2)C[C@@H](Cc2ccc(-c3ccccc3)cc2)C1=O 19502707 CFBLLNSMPLPNEY-HSZRJFAPSA-N 430.552 3.640 0 40 IHAB CCN1CCN(C(=O)[C@@H](C)n2nccc2C)C[C@H](Cc2ccccc2-c2ccccc2)C1=O 19527634 WAGVPMAJKGLTCM-QPPBQGQZSA-N 444.579 3.969 0 40 IHAB CCOc1ccc(CN2C[C@@H](c3cc(=O)[nH]c(C)n3)[C@H](c3ccc(OC)cc3)C2)cc1OC 19533934 RBHKHJCXNVCXBJ-FCHUYYIVSA-N 449.551 3.877 0 40 IHAB CC(=O)N1CCc2nc([C@H]3CCCN(C)C3)nc(NCC(C)(C)c3ccc(F)cc3)c2C1 19711318 MRHMRXHTASDCMY-SFHVURJKSA-N 439.579 3.719 0 40 IHAB Cc1nn(-c2ccccc2)c2nc(C3CCN(C(=O)c4n[nH]c5c4CCC5)CC3)ccc12 19744719 RWASSGOABCACIT-UHFFFAOYSA-N 426.524 3.961 0 40 IHAB CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](c3nc(C)c4c(n3)N(CC3CC3)CCC4)C2)cc1 19754767 KANJWHSGPQUVBN-OAQYLSRUSA-N 447.583 3.926 0 40 IHAB O=C(NCCO)c1cc([C@@H]2CCN(Cc3cnn(C4CCCCC4)c3)C2)nc2ccccc12 19761725 CKGYPRAULOEPIM-HXUWFJFHSA-N 447.583 3.648 0 40 IHAB Cc1nc([C@@H]2CCCCN2C(=O)c2cnccn2)ncc1C(=O)Nc1ccc(Cl)cc1 19764794 IOZCSLCEHBTJAV-IBGZPJMESA-N 436.903 3.848 0 40 IHAB CCC(=O)Nc1ccc2nc(SCc3cc(=O)n4nc(CC)sc4n3)sc2c1 20983582 NSWPMWCSHNLYTL-UHFFFAOYSA-N 431.568 3.964 0 40 IHAB Cc1ccc(CN2C[C@H](C(=O)N[C@H](c3ccc(Cl)cc3)c3nccn3C)CC2=O)cc1 21600971 NGSNAJQLGPMAKB-DENIHFKCSA-N 436.943 3.636 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCSCc1ccccc1 21930855 KBNODTGUAJEVFI-UHFFFAOYSA-N 432.611 3.833 0 40 IHAB Cc1ccc(-n2ncc3c(C)nnc(SCC(=O)Nc4ccc(C(N)=O)cc4)c32)cc1C 23137788 GORXILGUERTBEZ-UHFFFAOYSA-N 446.536 3.570 0 40 IHAB COc1cccc2cc(C(=O)N3CCN([C@H](C)c4nc5ccccc5s4)CC3)c(=O)oc12 23919428 VHBSETGWENZAKJ-OAHLLOKOSA-N 449.532 3.930 0 40 IHAB O=C(NC12CC3CC(CC(C3)C1)C2)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 25065916 PIMLNOPTOFMWSU-DQYWGJDHSA-N 437.005 3.826 0 40 IHAB COc1ccc(-c2nc(C(=O)NC[C@H](c3ccccc3OC)N(C)C)cs2)cc1OC 32204224 CYBQQCZPUMLLSO-GOSISDBHSA-N 441.553 3.869 0 40 IHAB O=C(CN1C(=O)COc2cc(Br)ccc21)N1CCC(c2ccccc2)CC1 32367810 DZJDCDYOBYEWQW-UHFFFAOYSA-N 429.314 3.581 0 40 IHAB Cc1nc(S[C@H](C)C(=O)Nc2ccc(Br)cc2F)sc1CC(N)=O 32871385 XDFIDIPKXFPORH-MRVPVSSYSA-N 432.340 3.500 0 40 IHAB Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1 32909237 ADZNJUURGQRNJU-UHFFFAOYSA-N 444.578 3.641 0 40 IHAB CSc1ccc(-c2noc(CSc3nc4cc5c(cc4c(=O)n3C)OCO5)n2)cc1 33130619 CEYARWRLFCMGQG-UHFFFAOYSA-N 440.506 3.726 0 40 IHAB O=C(Nc1ccc(N2CCCCC2)cc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 33476687 DYIWOMVGTURRTO-UHFFFAOYSA-N 445.560 3.855 0 40 IHAB O=C(CSc1nnc2c(n1)[nH]c1ccc(Br)cc12)NCc1ccccc1F 35312668 LQXTWBVXODGAJN-UHFFFAOYSA-N 446.305 3.816 0 40 IHAB COc1ccc(Cl)cc1-n1cnc2cc(C(=O)NCCCOC(C)C)ccc2c1=O 36360768 SLVHATXOLCABKU-UHFFFAOYSA-N 429.904 3.593 0 40 IHAB Cc1ccc(C)c(Oc2ccc(CNC(=O)CNC(=O)c3ccc(F)cc3F)cn2)c1 36390644 ZDRBSWSYMBDKRH-UHFFFAOYSA-N 425.435 3.815 0 40 IHAB Cc1nc2c3ccccc3nc(SCc3nc(N)nc(Nc4ccc(F)cc4)n3)n2n1 36395245 VDUMPEBCWBNROS-UHFFFAOYSA-N 433.476 3.528 0 40 IHAB COc1ccc(C)cc1[C@H](C)NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 36395949 BWWHZWLJEMPKNF-SFHVURJKSA-N 430.570 3.598 0 40 IHAB Cc1cc(C(=O)Nc2nn(Cc3ccccc3F)cc2Br)c2cnn(C)c2n1 36616712 PGZRWBXGARJZCY-UHFFFAOYSA-N 443.280 3.675 0 40 IHAB O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1nc(CN2CCCCCC2)cs1 40052490 KPISPYCETQIFPE-UHFFFAOYSA-N 430.618 3.790 0 40 IHAB CC1(C)Cc2cccc(OCCNC(=O)NCCOc3cccc4c3OC(C)(C)C4)c2O1 40086424 QGLBYISORJFNPI-UHFFFAOYSA-N 440.540 3.871 0 40 IHAB O=C(NCc1cccnc1Oc1cccc(F)c1)[C@@H]1CSCN1C(=O)c1ccccc1 40094362 NPGSMRSCGDLTRV-FQEVSTJZSA-N 437.496 3.845 0 40 IHAB CCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1-c1ccc(NC(C)=O)cc1 59099171 VAFOQOSNZASBCC-UHFFFAOYSA-N 425.514 3.663 0 40 IHAB CCC[C@@H](C)NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)c2cc(Cl)ccc2O1 64986196 KEQTXUYEFOUTME-QRWLVFNGSA-N 436.961 3.910 0 40 IHAB Cc1cc2nc(C3CCN(C(=O)CCn4nc(C)c(C)c4C)CC3)cc(C(F)(F)F)n2n1 72340839 NVSAHNVSMKAHAT-UHFFFAOYSA-N 448.493 3.975 0 40 IHAB CCN1CCN(C(=O)Cc2ccc(OC)cc2)[C@H](Cc2cccc(-c3cccnc3)c2)C1=O 72351735 UMZBJPWTRSEENQ-RUZDIDTESA-N 443.547 3.602 0 40 IHAB Nc1nc(CC[C@@H]2C(=O)Nc3ccccc32)cc(NCC2(c3ccccc3)CCOCC2)n1 72373330 GGTXHRUKHITXKF-NRFANRHFSA-N 443.551 3.888 0 40 IHAB COc1cc(OC)c(OC)cc1CN1CCC(c2cc(O)nc(-c3cccnc3)n2)CC1 72392775 VNMXLZUNWOIRHI-UHFFFAOYSA-N 436.512 3.650 0 40 IHAB COc1ccc2c(c1)OC1(CCN(C(=O)c3ccccc3C(F)(F)F)CC1)CNC2=O 72393330 HFORODHHARVHAA-UHFFFAOYSA-N 434.414 3.511 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Oc2ccc3c4c(c(=O)oc3c2)CCC4)cc1 89969064 PSOMMGQYVHPMJQ-UHFFFAOYSA-N 441.505 3.531 0 40 IHAB CN(C)c1ncc(-c2ccccn2)c([C@H]2CC[C@H](CNC(=O)CC[C@@H]3CCCO3)CC2)n1 100152685 IVRGWDQNZRCPCS-ZCNNSNEGSA-N 437.588 3.954 0 40 IHAB CC(=O)NC[C@H]1CC[C@H](c2c(C(=O)NCCN3CCCC3=O)sc3ccccc32)CC1 100658084 ZLCJIZMRIUSVMM-HDICACEKSA-N 441.597 3.663 0 40 IHAB CCOc1ccccc1CCCNC(=O)[C@H](CC)N(c1ccc(C)cc1)S(C)(=O)=O 219098857 ACSZDHULIBWRFU-NRFANRHFSA-N 432.586 3.687 0 40 IHAB CC[C@@H](C(=O)N[C@@H](C)c1ccc(OC)cc1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O 222511559 VYTFAROHLGLYDK-DJJJIMSYSA-N 442.940 3.910 0 40 IHAB Cc1cccc(N(Cc2ccc(C(=O)NCCOc3ccccc3)cc2)S(C)(=O)=O)c1 224068542 DVNNAZXZVWEJLQ-UHFFFAOYSA-N 438.549 3.770 0 40 IHAB CC1CCN(CCCNC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(F)cc3)c2)CC1 224174707 LAMRYFAXEJYSAU-UHFFFAOYSA-N 447.576 3.503 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(OCc3ccccc3)cc2)cc1 224596449 CAMXYKZAHAUKBR-UHFFFAOYSA-N 441.505 3.944 0 40 IHAB CC[C@H](C(=O)Nc1nnc(SC(C)C)s1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 224597312 NILHMJAQNAIUHH-OAHLLOKOSA-N 442.632 3.839 0 40 IHAB Cc1ccc(N(CC(=O)Nc2ccc(OC(F)(F)F)cc2)S(C)(=O)=O)cc1Cl 224862624 MFPXQQBDCNNPGH-UHFFFAOYSA-N 436.839 3.952 0 40 IHAB CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)COc1cc(C)cc(C)c1C 225463327 XLFZPFSJUUUBEU-QGZVFWFLSA-N 447.373 3.916 0 40 IHAB O=C(COc1ccc2c(c1)OCO2)NC[C@H]1CC[C@H](c2nnc(-c3cccs3)o2)CC1 257244090 IJUOTQAIECRXLZ-SHTZXODSSA-N 441.509 3.996 0 40 IHAB Cc1nn([C@@H](C)CC(=O)N2CCNC(=O)[C@H]2Cc2ccc(-c3ccccc3)cc2)c(C)c1C 257267268 MGOXZFBGCHACJU-AVRWGWEMSA-N 444.579 3.996 0 40 IHAB C[C@]1(O)CN(CC(=O)Nc2cccc(C(F)(F)F)c2)CC[C@@H]1Oc1cccc(F)c1 257285529 PHPHSFZDOWULOY-ICSRJNTNSA-N 426.410 3.687 0 40 IHAB COc1cccc(-c2ccc3nc([C@H]4CCCN(C(=O)c5cccn5C)C4)nn3c2)c1OC 306132267 LDEIBXSKXMFKTG-SFHVURJKSA-N 445.523 3.772 0 40 IHAB CC(=O)c1ccc(S(=O)(=O)N(CCn2ccc(-c3ccncc3)n2)C2CCCC2)cc1 390826804 PSDZDDHNVYPVRQ-UHFFFAOYSA-N 438.553 3.781 0 40 IHAB Cc1cccc(N(CCCC(=O)Nc2ccccc2C(=O)NC(C)(C)C)S(C)(=O)=O)c1 408680317 QYZRLOPFXLHBMM-UHFFFAOYSA-N 445.585 3.708 0 40 IHAB COc1cc(C(=O)N2CCC(C(=O)NCCC3=CCCCC3)CC2)cc(OC)c1OC 409016855 KHSPWKNJULEEDV-UHFFFAOYSA-N 430.545 3.571 0 40 IHAB CCn1c(COc2ccccc2OC)nnc1SCC(=O)Nc1cc(C)ccc1OC 409350754 YXGNIFIIHDVATC-UHFFFAOYSA-N 442.541 3.933 0 40 IHAB Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(Br)cc2F)S(C)(=O)=O)cc1 409411363 HBVOZAFKKDZNOE-LBPRGKRZSA-N 429.311 3.690 0 40 IHAB O=C(NCc1ccc2c(c1)OCO2)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 409411462 XEQAPUSOMHLREP-UHFFFAOYSA-N 444.896 3.800 0 40 IHAB CN1Cc2ccccc2[C@H](NC(=O)N2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)C1 533849974 QKJGIRNWVDEJLX-HTAPYJJXSA-N 439.535 3.556 0 40 IHAB Cc1cc(O)nc(C(=O)N[C@@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)c1 556391214 YZEBCRVHTASIIA-FQEVSTJZSA-N 430.913 3.672 0 40 IHAB COc1cc(N[C@@H]2CCCN(C(=O)c3cccc(Nc4ncccn4)c3)C2)cc(OC)c1 676179329 AIANRPQANCXYFA-LJQANCHMSA-N 433.512 3.954 0 40 IHAB O=c1c(=O)n(C2CCCCC2)ccn1Cc1nc(-c2ccc(OC(F)(F)F)cc2)no1 1775967751 BSIVPWIZEJDFOZ-UHFFFAOYSA-N 436.390 3.512 0 40 IHAB CCOC(=O)c1sc(N[C@H](NC(C)=O)C(Cl)(Cl)Cl)c(C(=O)OCC)c1C 822185 DRKOQECXUDDYKD-AWEZNQCLSA-N 445.752 3.654 0 40 IHAB Cc1c(OCC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)ccc2c3c(c(=O)oc12)CCCC3 2112011 SJEDGNXTYBINAW-CRICUBBOSA-N 425.525 3.513 0 40 IHAB biogenic CCOc1cc([C@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2CCCO)ccc1O 2351260 JQDYHUFDJFGBLK-FQEVSTJZSA-N 443.883 3.787 0 40 IHAB Nc1c(C(=O)NCc2ccccc2)c2nc3ccccc3nc2n1-c1ccc(C(=O)O)cc1 3222234 WLPYCNRIPRTRDP-UHFFFAOYSA-N 437.459 3.784 0 40 IHAB CCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)cc1 3328066 NRJVWPAWZILQDA-UHFFFAOYSA-N 440.525 3.935 0 40 IHAB NC(=O)c1c(NC(=O)COC(=O)c2cc(Cl)ccc2Cl)sc2c1CCCC2 3351981 KXEHATPAKBNEKU-UHFFFAOYSA-N 427.309 3.828 0 40 IHAB CCCc1cc(=O)oc2c3c(cc(OCC(=O)NCc4cccnc4)c12)OC(C)(C)CC3 8792054 IVVXTWDRFSROOK-UHFFFAOYSA-N 436.508 3.939 0 40 IHAB biogenic CC[C@@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NCCC(C)C 8876277 RCLHISSQUHDLQE-MUXOPTKESA-N 445.629 3.728 0 40 IHAB biogenic CC(=O)c1cccc(NC(=O)[C@H](C)Sc2nc(O)c3cnn(-c4ccccc4)c3n2)c1 9051158 KPLKJZDKEAERDX-AWEZNQCLSA-N 433.493 3.843 0 40 IHAB CCn1c(CNC(=O)c2ccc3c(c2)OCO3)nnc1SCc1ccc(Cl)cc1 9095859 OQSYBCKRBBIZRT-UHFFFAOYSA-N 430.917 3.902 0 40 IHAB COc1ccccc1CNc1cnn(C23C[C@@H]4CC(C[C@@H](C4)C2)[C@@H]3C(=O)O)c(=O)c1Cl 9123902 WJOCXUOKWOQEME-AOQNJULASA-N 443.931 3.753 0 40 IHAB CC(=O)Oc1ccc(/C=C2\N=C(c3ccc(Br)cc3)OC2=O)cc1OC(C)=O 9125296 XIKFCOZCJDKWEG-SXGWCWSVSA-N 444.237 3.644 0 40 IHAB COC(=O)c1ccc(NC(=O)[C@@H]2CCc3sc(NC(=O)c4ccc(F)cc4)nc32)cc1 9131613 SHONGUMZEZWPRQ-MRXNPFEDSA-N 439.468 3.990 0 40 IHAB CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]12 9185136 WIDOYZJXGXJVAM-WMZOPIPTSA-N 446.290 3.599 0 40 IHAB COc1ccc(OC)c(N2C[C@@H](C(=O)Nc3ccc(Br)cc3F)CC2=O)c1 9197150 SZCBCGMZPPFSPV-NSHDSACASA-N 437.265 3.597 0 40 IHAB COc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2cccc(C)c2)cc1Cl 9238573 FALAYEGCSNZECF-QZTJIDSGSA-N 429.933 3.955 0 40 IHAB CCOC(=O)c1c(NC(=O)Cc2ccc3c(c2)OCO3)sc2c1CCN(C(C)C)C2 9520917 YXLKWYDUXFCQJX-UHFFFAOYSA-N 430.526 3.601 0 40 IHAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccc(COc2ccccc2)o1 9590641 XWINYOCPGSJFDD-UHFFFAOYSA-N 436.464 3.731 0 40 IHAB O=C(Nc1nnc(COc2ccc(Br)cc2)s1)c1ccc2c(c1)OCO2 9957652 MMCVLVMHSCWXFZ-UHFFFAOYSA-N 434.271 3.861 0 40 IHAB CCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cccc(C)c3)nc2O)cc1 9969926 AIHDFNKHFXPUAT-UHFFFAOYSA-N 443.550 3.617 0 40 IHAB COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)[nH]1 10475532 RNFFPPBEJCIQFP-UHFFFAOYSA-N 426.498 3.776 0 40 IHAB CC1CCN(c2nnc(SCC(=O)c3ccc4c(c3)OCO4)n2Cc2ccco2)CC1 11374245 FXWDPKQEERXMDK-UHFFFAOYSA-N 440.525 3.859 0 40 IHAB COc1ccccc1N1C[C@@H](c2nc3ccccc3n2CC(=O)N2CCCCC2)CC1=O 12062133 MFCCGQVOSMJMTP-SFHVURJKSA-N 432.524 3.578 0 40 IHAB CCOc1ccccc1NC(=O)Cn1nc(C(C)C)c2cnn(-c3ccccc3)c2c1=O 12228889 FFFKMVMEYNAQPD-UHFFFAOYSA-N 431.496 3.743 0 40 IHAB CCC[C@]1(C(=O)OCC)N[C@@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 12496703 OIKYCLFXMWKDDE-PDFGSZSQSA-N 438.499 3.686 0 40 IHAB O=C(CCC(=O)N1CCC(c2ccccc2)=N1)Nc1cc(Cl)ccc1N1CCOCC1 12586830 NCKLORVDJMHZPX-UHFFFAOYSA-N 440.931 3.532 0 40 IHAB COCCCn1c(SCC(=O)N(C)C2CCCCC2)nc2cc(Cl)ccc2c1=O 12619497 MLHBVFNKKDZOGT-UHFFFAOYSA-N 437.993 3.970 0 40 IHAB CCOC(=O)CCNC(=O)/C(=C\c1ccccc1)NC(=O)c1ccc(OCC(C)C)cc1 12661206 MXTPNBVONUDCQN-CJLVFECKSA-N 438.524 3.562 0 40 IHAB biogenic Cc1cccc(C(=O)N[C@@H](C(=O)OCC(=O)N[C@H](C)c2cc3ccccc3o2)C(C)C)c1 12892923 NMRBWQPJOCCSAI-UZUQRXQVSA-N 436.508 3.916 0 40 IHAB CCc1ccc(-c2csc(NC(=O)[C@H](C)OC(=O)CNC(=O)c3cccs3)n2)cc1 13100463 BRRZZAILDWKMDI-ZDUSSCGKSA-N 443.550 3.734 0 40 IHAB O=C(CNC(c1ccccc1)c1ccccc1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 13121161 SKIXNGLFVXPGOE-HSZRJFAPSA-N 434.561 3.586 0 40 IHAB O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)NCCc1ccc(Cl)cc1Cl 13628454 ODPUEKXGAOWSMJ-SFHVURJKSA-N 434.323 3.553 0 40 IHAB CCCCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1[C@H](CC)N(C)C 16045334 IQWHMVDGLHKHEY-FQEVSTJZSA-N 444.649 3.532 0 40 IHAB CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)N3CCN(c4ncccn4)CC3)ccc21 16483366 BUAATYAYELYSLN-GOSISDBHSA-N 428.540 3.754 0 40 IHAB COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(NC(=O)c2ccco2)cc1 17094406 QFGUDINPQHXBET-UHFFFAOYSA-N 425.466 3.676 0 40 IHAB O=C(NCCSCc1ccco1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 18076040 IDKRYLKNDYREQO-UHFFFAOYSA-N 434.514 3.883 0 40 IHAB CNc1cc([C@@H]2CCCN(C(=O)Cc3cc(C)ccc3OC)C2)nc(-c2cccnc2)n1 19132997 HYSDYCFALOJSPU-LJQANCHMSA-N 431.540 3.846 0 40 IHAB O=C(c1cccc(F)c1)N1CCCC[C@H]1c1cc2nc3c(c(O)n2n1)CN(CC1CC1)CC3 19293550 JBGRRAQRNDDICG-QFIPXVFZSA-N 449.530 3.710 0 40 IHAB Fc1ccc([C@@H]2N=C3NCN(CCc4ccccc4)CN3c3nc4ccccc4n32)cc1 19320925 PWPNBYQDZLLXGS-HSZRJFAPSA-N 426.499 3.961 0 40 IHAB CC1(C)[C@]2(C(=O)N3CCC(c4cc(C(F)F)n5ncnc5n4)CC3)CC[C@@]1(C)C(=O)C2 19460517 SWVQCKZZQXZQNN-FCHUYYIVSA-N 431.487 3.553 0 40 IHAB CCC(CC)N1CCc2nc3cc(C4CCN(C(=O)C5CCCC5)CC4)nn3c(O)c2C1 19500288 JQLLIFZTAFUXAR-UHFFFAOYSA-N 439.604 3.878 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(F)ccc2F)Cc2ccccc2)cc1 20011129 PRODLUIJJFTFJN-UHFFFAOYSA-N 446.475 3.803 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N[C@H](C)c2ccc(Cl)cc2)cc1C 20015595 GLZBVKGXSUZELB-MRXNPFEDSA-N 438.977 3.935 0 40 IHAB CCCOc1ccc(N(CC(=O)Nc2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 22382186 BKRUIYXBQMCATE-UHFFFAOYSA-N 430.448 3.899 0 40 IHAB Cc1ccc(CN(C)C(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc1 22429127 STNFZGJTVHAZPR-UHFFFAOYSA-N 426.513 3.988 0 40 IHAB O=S(=O)(c1ccc(Cl)nc1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 24710072 WMLOZMUMCABNCY-UHFFFAOYSA-N 425.297 3.792 0 40 IHAB COc1ccc(OC)c(CNC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)c1 29793177 FPDCHRGKHBKSGM-UHFFFAOYSA-N 437.945 3.760 0 40 IHAB COc1ccc(-c2nc3c(s2)CN([C@@H](C(=O)O)c2c[nH]c4ccc(CO)cc24)CC3)cc1 31816303 ASKNPQBBHSJLQN-JOCHJYFZSA-N 449.532 3.976 0 40 IHAB CCOC(=O)[C@H]1CSCCN1C(=O)/C=C/c1cc(Cl)c(OC(C)C)c(OC)c1 32894263 ISGANNLMMMAZNN-FYCOFBDGSA-N 427.950 3.656 0 40 IHAB Cc1ccn2c(=O)cc(COc3cccc(NC(=O)COc4ccccc4F)c3)nc2c1 33268621 ZWYOFKULWGGHIG-UHFFFAOYSA-N 433.439 3.739 0 40 IHAB O=C(CN(C(=O)CNC(=O)c1ccco1)c1cccc2ccccc12)NC1CCCCC1 35315973 HPHJKBVHRWZACU-UHFFFAOYSA-N 433.508 3.645 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(c3nnc(-c4ccccc4OC)s3)CC2)cc1 35597013 IPXAMLHJAWCTLT-UHFFFAOYSA-N 445.566 3.791 0 40 IHAB COC(=O)c1ccccc1NC(=O)CN1CCC(c2nc(-c3ccc(C)cc3)no2)CC1 49403277 LNUZGHOCSOCYFC-UHFFFAOYSA-N 434.496 3.650 0 40 IHAB COC(=O)Cn1c2c(sc1=O)[C@H](c1c(F)cccc1F)CC(=O)N2c1ccc(F)cc1 49547197 JFTFFRUFCBQTFU-ZDUSSCGKSA-N 448.422 3.700 0 40 IHAB O=c1c2sccc2n2c(=O)n(Cc3cccc(Cl)c3)nc2n1Cc1cccs1 64946473 XYGGDPILXYJBAH-UHFFFAOYSA-N 428.926 3.684 0 40 IHAB Cc1nc(-c2cccs2)sc1C(=O)NCCn1cnc(-c2ccc(F)cc2)cc1=O 70637547 ADDDIKNTCZHNTM-UHFFFAOYSA-N 440.525 3.973 0 40 IHAB O=C([C@H]1COc2ccccc2O1)N1CCC[C@H](c2nnc(-c3ccccc3F)s2)C1 77177471 VIWXZNXCSNJYLZ-IFXJQAMLSA-N 425.485 3.890 0 40 IHAB COCCS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCOc3ccccc32)c1Cl 78869532 NTSMOCMMPYLLTI-AWEZNQCLSA-N 444.336 3.667 0 40 IHAB COc1cccc(NC(=O)c2ccc3c(=O)n(-c4cc(OC)ccc4OC)cnc3c2)c1 94993033 OEUNRVCFIFJHOI-UHFFFAOYSA-N 431.448 3.664 0 40 IHAB CC(=O)c1ccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H]([C@H]6C[C@H]56)[C@@H]4C3=O)c2)cc1 102530226 MZFGGOPQZTWAAX-AJIIZAQNSA-N 426.472 3.699 0 40 IHAB CC(C)Oc1cccc(N(CC(=O)N2CCC(Cc3ccccc3)CC2)S(C)(=O)=O)c1 220104953 XMXVUKHQKXACSB-UHFFFAOYSA-N 444.597 3.721 0 40 IHAB CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)COc1cc(C)ccc1C 223021460 ZQZGEZHMYHJKGH-QGZVFWFLSA-N 447.373 3.998 0 40 IHAB OCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Br)cc1 223587507 UGSNQDRTWKMBRY-MOPGFXCFSA-N 443.370 3.600 0 40 IHAB CN(Cc1nc(-c2cccs2)no1)S(=O)(=O)Cc1ccc(Br)cc1 223653891 FHFGHAQMGUQJFK-UHFFFAOYSA-N 428.333 3.522 0 40 IHAB CC[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 224878405 WOVQSRPMKBMFCO-INIZCTEOSA-N 434.411 3.908 0 40 IHAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)n1C 225587703 YYFSGIPSANKTGN-YADHBBJMSA-N 437.544 3.869 0 40 IHAB Cc1ccc([C@H](NC(=O)CN2CCC[C@H]2CN2C[C@H](C)O[C@H](C)C2)c2cccs2)cc1 245225233 PXZFBPRVZMVVDZ-VTKNMLBTSA-N 441.641 3.836 0 40 IHAB O=C(Cc1ccc(OC(F)(F)F)cc1)NC1CCN(c2cc(C(F)(F)F)ncn2)CC1 253394079 ABWWTGPXBYRPSK-UHFFFAOYSA-N 448.367 3.722 0 40 IHAB O=C(/C=C/c1ccc(Br)cc1)N1CCc2nc3ccc(Cl)cn3c(=O)c2C1 253474312 FBHLYHNQCLUWLM-FPYGCLRLSA-N 444.716 3.709 0 40 IHAB O=C1CO[C@@]2(CCN(C(=O)C3(c4cccc(F)c4)CCCC3)C2)CN1c1ccc(F)cc1 257248581 JEHPWVPGMAHUMV-XMMPIXPASA-N 440.490 3.811 0 40 IHAB CCNC(=O)C1(Cc2ccc(-c3ccncc3)cc2)CCN(C(=O)Cc2cccnc2)CC1 257280924 OMZFCIXCEBMWCN-UHFFFAOYSA-N 442.563 3.674 0 40 IHAB CCOc1ccc(N([C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)cc1 260930962 LNVXDPYWWUBMRX-SJORKVTESA-N 430.570 3.606 0 40 IHAB CCCCNC(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1Cl 408564096 XQYJLIVXGXZTFB-UHFFFAOYSA-N 436.961 3.777 0 40 IHAB COc1cc(OC)cc(-c2nnc(S/C(=C\c3ccc4c(c3)OCCO4)C(=O)O)o2)c1 408634260 SVZUCOJSYFYHNE-LSCVHKIXSA-N 442.449 3.743 0 40 IHAB Cc1ccc(S(=O)(=O)N[C@H](CC(=O)Nc2ccc3c(c2)OCO3)c2ccccc2)cc1 408976250 AEECBQAADQQSOX-HXUWFJFHSA-N 438.505 3.772 0 40 IHAB O=C1[C@@H]2C3c4ccccc4C(Br)(c4ccccc43)[C@H]2C(=O)N1C[C@@H]1CCCO1 409197844 QACYZEKEIIYUII-RIFKOLCSSA-N 438.321 3.564 0 40 IHAB CCOc1cc(C(=S)N2CCOCC2)ccc1OCC(=O)Nc1cc(C)ccc1C 409239760 DYXFUOOVZQNAOL-UHFFFAOYSA-N 428.554 3.727 0 40 IHAB COc1cc(/C=C2\NC(=O)N(Cc3cccc(C)c3)C2=O)cc(Br)c1OC 409246480 BVFFMPJVJSPLDD-SXGWCWSVSA-N 431.286 3.868 0 40 IHAB CC(C)C(=O)N1CCO[C@](COc2ccc(F)cc2)(CC(=O)N(C)Cc2ccccc2)C1 585287468 XPAZQNIONLXIBG-RUZDIDTESA-N 442.531 3.507 0 40 IHAB O=C(c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1)N1CCOCC12CC2 670008851 LYCDGNAJMVDEAD-UHFFFAOYSA-N 428.414 3.958 0 40 IHAB CC(C)(C)OC(=O)NCCc1nc(N2CCC(Cc3ccccc3)CC2)ncc1C(=O)O 2037873401 HIQIEJJIUBCYGW-UHFFFAOYSA-N 440.544 3.701 0 40 IHAB O=C(NC(=S)Nn1cnc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2)c1ccccc1 712173 NCDOOVAFYKWWGF-UHFFFAOYSA-N 444.560 3.927 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)cc1 782958 CLXULWOQDCZHHV-UHFFFAOYSA-N 434.561 3.660 0 40 IHAB C[C@H]1CCc2c(sc3nc(SCC(=O)Nc4ccc(N(C)C)cc4)[nH]c(=O)c23)C1 1290708 VUUYEGKPASIUCK-LBPRGKRZSA-N 428.583 3.906 0 40 IHAB COc1ccc(F)cc1S(=O)(=O)NCCc1c(C)[nH]c2ccc(Br)cc12 1424301 LQQVOLDVTTVISE-UHFFFAOYSA-N 441.322 3.908 0 40 IHAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(C)(C)C)cc3)c(=O)n2[C@H]1c1ccccc1 2059822 FQKKRMLEYKXHRJ-BARSGRSVSA-N 446.572 3.706 0 40 IHAB Cc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1S(=O)(=O)N1CCCCCC1 2700595 JJXVRAAZKOTMRU-UHFFFAOYSA-N 441.597 3.522 0 40 IHAB O=C(NC(=S)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)c1ccco1 3226110 DIPYGOQKSIZXBR-UHFFFAOYSA-N 435.914 3.861 0 40 IHAB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCC(=O)c2ccccc2F)c1 3250843 HSCCGVVUZSYXLJ-UHFFFAOYSA-N 427.453 3.691 0 40 IHAB CCc1ccc2[nH]c(=O)c(CN(CCCO)C(=S)Nc3ccc(OC)cc3)cc2c1 4127296 XQXMDDRNFZTDJW-UHFFFAOYSA-N 425.554 3.681 0 40 IHAB O=C1c2ccc(Br)cc2C(=O)N1c1ccccc1I 4131928 PHQZJXBSSPQZPK-UHFFFAOYSA-N 428.023 3.854 0 40 IHAB O=C(CSc1nc(=O)n(Cc2ccccn2)c2c1CCC2)Nc1cccc(Cl)c1 8614865 XOIFVPGSDDCJJO-UHFFFAOYSA-N 426.929 3.560 0 40 IHAB O=C(CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1)Nc1ccccc1C(F)(F)F 8845128 CDINOEYDGHGCQB-UHFFFAOYSA-N 445.426 3.858 0 40 IHAB Cc1c(CC(=O)N2CCC[C@H]2C(=O)O)c(=O)oc2cc3c(cc12)CCC1(CCCCC1)O3 8879085 ZEDKADHDPNMBPM-IBGZPJMESA-N 439.508 3.747 0 40 IHAB biogenic C[C@H](CCc1ccccc1)NC(=O)Cn1c2ccccc2c2nc3n(c(=O)c21)CCS3 8971684 BEYZBWQLQWKFGV-MRXNPFEDSA-N 432.549 3.594 0 40 IHAB Cn1c(COc2ccc3c(c2)CCCC3)nnc1SCC(=O)N1CCc2ccccc2C1 9328085 JYJKJSSQOJPBPS-UHFFFAOYSA-N 448.592 3.950 0 40 IHAB CCOC(=O)C1=C(C)Oc2ncn3nc(-c4ccncc4)nc3c2[C@@H]1c1ccc(OC)cc1 9348305 LFDSGFUZUXCLEL-LJQANCHMSA-N 443.463 3.556 0 40 IHAB COc1cc(OC)cc(C(=O)Nc2nnc(SCC(=O)Nc3ccc(C)cc3)s2)c1 9364215 RUUQZEKURAFNEZ-UHFFFAOYSA-N 444.538 3.847 0 40 IHAB Cc1cc(C)cc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)c1 9390431 BFRIMLWFQCBKTA-UHFFFAOYSA-N 444.553 3.664 0 40 IHAB Cc1cccc(NC(=O)[C@@H](C)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)c1 9451942 OAYVAFYMNGUJPL-UTKZUKDTSA-N 437.540 3.800 0 40 IHAB O=S(=O)(c1ccc(SCCOc2cccc(Br)c2)nc1)N1CCCC1 9462721 NJCSIOATZSFPLH-UHFFFAOYSA-N 443.388 3.800 0 40 IHAB O=C(C[C@@H]1C=CCC1)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 9467483 WOZXJGIOPXCACU-MRXNPFEDSA-N 428.510 3.944 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1CN(C)CC(=O)Nc1cc(Cl)ccc1-n1cncn1 9468035 XJXFUNHCHDYCDN-UHFFFAOYSA-N 449.946 3.794 0 40 IHAB COc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c1 9640255 PYJHAJISGAPNJA-UHFFFAOYSA-N 442.459 3.753 0 40 IHAB CCOC(=O)c1nn(-c2cccc(Br)c2)c(=O)cc1OCc1ccccc1F 9761749 UQBXDYLEUQQXNK-UHFFFAOYSA-N 447.260 3.890 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCCCN3CCC(C)CC3)ccc2C)cc1 10112535 FDHLXYUVVLTMHT-UHFFFAOYSA-N 443.613 3.956 0 40 IHAB Cc1ccc(N2C(=O)N(CC(=O)N3CCCC[C@H]3C)c3ccccc3S2(=O)=O)cc1 10272718 VLRAZDXSIRMQNO-QGZVFWFLSA-N 427.526 3.531 0 40 IHAB CCOc1ccc(CNC(=O)CCCN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 10448906 GQFFRNGOSYKMQM-UHFFFAOYSA-N 438.977 3.910 0 40 IHAB Cc1c(C(=O)N2CCC3(CC2)C[C@]2(CO3)NC(=O)c3ccccc3N2)oc2ccccc12 12085484 YKWKQKWYUNJMQW-RUZDIDTESA-N 431.492 3.688 0 40 IHAB Cc1[nH]c2ccc(C(=O)N3CCC4(CC3)C[C@]3(CO4)NC(=O)c4ccccc4N3)cc2c1C 12085498 QFSSWSQEZLXLCN-AREMUKBSSA-N 444.535 3.732 0 40 IHAB Cc1nc(-n2nc(C3CC3)cc2NC(=O)COc2ccc(Cl)cc2Cl)[nH]c(=O)c1C 12127121 CIHOPXSWWDLCOV-UHFFFAOYSA-N 448.310 3.774 0 40 IHAB CC(C)[C@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)CCn1ncc2ccccc21 12220334 IZHOBOYYNIWCPJ-IBGZPJMESA-N 435.553 3.553 0 40 IHAB COc1cc(-c2nnc(SCC(=O)Nc3ccc(F)cc3F)o2)cc(OC)c1OC 12248716 ULVMQJQVEGZSQV-UHFFFAOYSA-N 437.424 3.771 0 40 IHAB COc1cc(OC)cc([C@@H](NC(=O)c2cccc(Br)c2)c2nccn2C)c1 12767681 LEIPDXYYTMNFJS-GOSISDBHSA-N 430.302 3.719 0 40 IHAB CCN(CC)S(=O)(=O)c1cccc(C(=O)NCc2ccc(CN3CCCCC3)cc2)c1 12855961 XHPMCBIFDOUUPR-UHFFFAOYSA-N 443.613 3.633 0 40 IHAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc(OC(F)F)cc2)c1 13009632 WGPHPJOFJLYPAN-UHFFFAOYSA-N 426.485 3.591 0 40 IHAB CCC(C)(C)NC(=O)[C@H](c1ccco1)N(Cc1ccco1)C(=O)Cn1nnc2ccccc21 13032440 PBGQESGUWOOGCY-QFIPXVFZSA-N 449.511 3.692 0 40 IHAB COc1ccc(/C=C/C(=O)Nc2ccc(F)c(F)c2)cc1S(=O)(=O)N1CCCCC1 13149507 JQLVEXQVSLZFHN-UXBLZVDNSA-N 436.480 3.800 0 40 IHAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccc(C(=O)O)o3)cc2)C1=O 13564664 LXABIPNZIULMDV-VAKHEIKFSA-N 445.449 3.545 0 40 IHAB COc1cc(CCC2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc(OC)c1 14100986 DPCVFNMNAORRQH-UHFFFAOYSA-N 449.569 3.755 0 40 IHAB NC(=O)c1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 14185859 SHNWZKZDSDKKGJ-DEOSSOPVSA-N 431.517 3.812 0 40 IHAB Cc1nn(CC(=O)c2cccc3ccccc23)c(C)c1S(=O)(=O)N(C)Cc1ccco1 14245071 HOSXVUSMQYWCAK-UHFFFAOYSA-N 437.521 3.950 0 40 IHAB Cc1nc2cc(NC(=O)C3CCN(S(=O)(=O)c4ccc5c(c4)CCC5)CC3)ccc2o1 15600994 YUEIQCJZBOVHEM-UHFFFAOYSA-N 439.537 3.664 0 40 IHAB Cc1cccc(-c2nc(Cn3c(=O)n(C[C@H]4CCCO4)c(=O)c4ccccc43)c(C)o2)c1 15829329 AFWRETIDDAKVEZ-LJQANCHMSA-N 431.492 3.662 0 40 IHAB CCOCCCn1c(SCC(=O)c2[nH]c(C)c(C(C)=O)c2C)nnc1-c1ccncc1 16046088 HTOIVPQDCJTQNZ-UHFFFAOYSA-N 441.557 3.889 0 40 IHAB Cc1cc(C)c(NC(=O)Cn2nc3ccc(SC4CCCCC4)nn3c2=O)c(C)c1 16843636 XPGGFYDFAYUMIX-UHFFFAOYSA-N 425.558 3.880 0 40 IHAB Cc1nc(SCC(=O)Nc2ccc(C(=O)O)cc2)[nH]c(=O)c1Cc1ccccc1Cl 18191180 YTTMNNBZWNJHOK-UHFFFAOYSA-N 443.912 3.752 0 40 IHAB CC(C)NC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)c2cccnc2N)C1 19449444 YIVRTOWVNBNJKK-HHHXNRCGSA-N 442.563 3.930 0 40 IHAB Cc1cc(C)n(CCCC(=O)N2CC[C@@](Cc3ccccc3-c3ccccc3)(C(N)=O)C2)n1 19573971 IILUEKNWTRPADW-MHZLTWQESA-N 444.579 3.894 0 40 IHAB CC(C)c1nnc(CCC(=O)N2CCC(c3ccc(-c4cccc(C(N)=O)c4)cn3)CC2)o1 19687829 DADBALYOEMLOMH-UHFFFAOYSA-N 447.539 3.693 0 40 IHAB O=C(COc1ccccc1Cl)Nc1ccc(N2CCOCC2)c(Br)c1 20611655 UXEPBYDOPNJUEQ-UHFFFAOYSA-N 425.710 3.957 0 40 IHAB COc1ccc(CC(=O)Nc2nc(-c3ccc(CNC(C)=O)s3)cs2)c(OC)c1 21903705 PDMPDSRTOXFEHV-UHFFFAOYSA-N 431.539 3.706 0 40 IHAB CC[C@H](NC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O)c1ccc(OC)c(OC)c1 22330432 NPISNTKUUZEJTM-FQEVSTJZSA-N 448.585 3.861 0 40 IHAB CC(C)Oc1cccc(CNC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)c1 22339725 UQKBBSIMTGJHKT-UHFFFAOYSA-N 426.538 3.709 0 40 IHAB Cc1ccc([C@H](CNC(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)N2CCN(C)CC2)o1 22938475 WFOJMEIGCFTKTM-QHCPKHFHSA-N 448.567 3.840 0 40 IHAB Cn1c(SC[C@@H](O)COc2ccc(Cl)cc2)nnc1[C@H]1COc2ccccc2O1 24828457 ASIMMCQQXURFPA-KBXCAEBGSA-N 433.917 3.513 0 40 IHAB CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H](c1cccs1)N(C)C 27674752 MXODSKFZFFGHJB-IRXDYDNUSA-N 440.034 3.672 0 40 IHAB C[C@@H](Oc1ccc(F)cc1)C(=O)N(Cc1cccc2ccccc12)[C@H]1CCS(=O)(=O)C1 28228573 WUKUQZINIBFXAP-UTKZUKDTSA-N 441.524 3.962 0 40 IHAB COc1ccc([C@H](CNC(=O)c2c(-n3cccc3)sc(C)c2C)N2CCOCC2)cc1 29901096 WUJKYNBUHWZKCE-NRFANRHFSA-N 439.581 3.968 0 40 IHAB O=C(O)[C@@H](c1c[nH]c2cc(F)ccc12)N1CCN(CCOc2ccc(Cl)cc2)CC1 32096242 BXSBEHCOMHCPIQ-OAQYLSRUSA-N 431.895 3.783 0 40 IHAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N3CCC[C@@H]3c3nnc4ccccn34)c12 32888491 UVVQOFOYTPWIND-HXUWFJFHSA-N 437.507 3.964 0 40 IHAB Cc1ccc(C(=O)Nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)o1 33028354 NJDPVNRQRSIOTR-UHFFFAOYSA-N 428.466 3.802 0 40 IHAB Cc1ccc(C(=O)NCc2ccc(-n3ccnc3)cc2)cc1NS(=O)(=O)c1ccccc1 38773230 KSKACMKPENECTC-UHFFFAOYSA-N 446.532 3.912 0 40 IHAB COc1ccc2c(C)c(CCC(=O)N3CCC[C@H](C(=O)Nc4ccccc4)C3)c(=O)oc2c1 40017426 IURHPPQFPHAVDP-SFHVURJKSA-N 448.519 3.920 0 40 IHAB CCCCOc1ccc(CNC(=O)c2cc(S(C)(=O)=O)ccc2Cl)cc1OC 40134285 GJQUJXDKUUFMJE-UHFFFAOYSA-N 425.934 3.861 0 40 IHAB COc1cc([C@H]2CC(=O)Nc3c(C(=O)O)cn(-c4ccc(F)cc4)c32)cc(OC)c1OC 40266566 KDZYBKMHIKSLQI-OAHLLOKOSA-N 440.427 3.815 0 40 IHAB CCCn1c(SCC(=O)Nc2ccc(C(=O)OCC)cc2)nc2ccccc2c1=O 57476809 LLLNCKMGNLZPCH-UHFFFAOYSA-N 425.510 3.714 0 40 IHAB COc1ccccc1-n1c(=O)c2sccc2n(CC(=O)Nc2ccccc2C(C)C)c1=O 57490942 YKSJWXQFAUDHSW-UHFFFAOYSA-N 449.532 3.985 0 40 IHAB COCc1cccc(CNC(=O)c2nn(-c3cccc(C(F)(F)F)c3)c(C)cc2=O)c1 58970333 AAVCFLZMKZWZQP-UHFFFAOYSA-N 431.414 3.636 0 40 IHAB COc1ccc(C(=O)Cn2c(=O)n3nc(-c4cccc(OC)c4)nc3c3ccccc32)cc1 69350508 ZMINCPCXOHZAKQ-UHFFFAOYSA-N 440.459 3.611 0 40 IHAB COc1ccc(C)cc1NC(=O)C(=O)NCC1CCN(c2nc3ccccc3s2)CC1 70900106 BANHWUNENOTDCK-UHFFFAOYSA-N 438.553 3.585 0 40 IHAB COCCNC(=O)c1sc2ccccc2c1C[C@@H]1CCCN1C(=O)c1oc(C)nc1C 72370370 FWCVMSKTKCEFSS-INIZCTEOSA-N 441.553 3.730 0 40 IHAB CNC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CCCN(C(=O)CCn2nccc2C)C1 72391262 FAKHSAOFKJJWNH-HHHXNRCGSA-N 444.579 3.846 0 40 IHAB COc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c(OC)c1OC 83937324 QXEWJCLPMBYXBH-HNNXBMFYSA-N 432.904 3.857 0 40 IHAB CCOC(=O)C[C@@H](C)CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 89983630 PMNOSDACLXBVMK-UKRRQHHQSA-N 429.344 3.551 0 40 IHAB Cc1c(NS(=O)(=O)c2cnn(-c3ccc(Cl)cc3)c2C)n[nH]c1-c1ccncc1 95976384 GWXVURHTIHCZLF-UHFFFAOYSA-N 428.905 3.728 0 40 IHAB O=C([C@H]1CCCN(Cc2ncc(Br)cc2Br)C1)N1CCCCC1 96013593 WDZPIYWUUASXED-ZDUSSCGKSA-N 445.199 3.831 0 40 IHAB CC(C)CN1CC2(CCN(C(=O)c3ccsc3)CC2)COc2ccccc2S1(=O)=O 96037161 CKNPLLFDIYFWGR-UHFFFAOYSA-N 448.610 3.710 0 40 IHAB Cc1nc2nnc3ccc(C(=O)N4CCC(N(C)C)CC4)cc3c2n1Cc1ccccc1 96146598 LNFYWATWKCXCCC-UHFFFAOYSA-N 428.540 3.502 0 40 IHAB CCCC(=O)N1CCc2c(nc3cc([C@H]4CCCN4Cc4ccccc4F)nn3c2O)C1 100234322 ZNIMSXPHFVKTKK-OAQYLSRUSA-N 437.519 3.596 0 40 IHAB O=C1[C@@H]2ON=C(c3ncc(C(F)(F)F)cc3Cl)[C@H]2C(=O)N1c1ccc(Cl)cc1 100923326 HDGRGYIOPAXWKP-BXUZGUMPSA-N 430.169 3.700 0 40 IHAB Cc1cc(C)cc(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1 102086882 ASTRUYYSBFGSSS-RJQIIPCNSA-N 440.543 3.906 0 40 IHAB CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(OC)c2)=N[C@@H]1c1cccs1 103828671 GQZXRVJWLFJLKH-LJQANCHMSA-N 445.566 3.966 0 40 IHAB CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1OC)c1ccc(OC)cc1 216421579 MQWJRZUPKYQNKC-NRFANRHFSA-N 446.569 3.760 0 40 IHAB CC1(C)C[C@@H](NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)c2ccccc2O1 219249988 BDTCPJQTNVDQHD-OAQYLSRUSA-N 442.581 3.647 0 40 IHAB CCOC(=O)c1ccc(NC(=O)COc2ccc(I)cc2)c(C)c1 219834509 SBVNDXQVGMPDGF-UHFFFAOYSA-N 439.249 3.794 0 40 IHAB CC[C@@H](C(=O)Nc1cc(Cl)ccc1OC)N(c1cccc(OC)c1)S(C)(=O)=O 220616681 CCNYMLXVQYQORW-KRWDZBQOSA-N 426.922 3.541 0 40 IHAB COc1ccccc1N(CCCC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)S(C)(=O)=O 222585287 UOTRYXWIAXQHDE-GOSISDBHSA-N 446.569 3.660 0 40 IHAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(C)cc1 222588799 ZGYOORKJGMTDGR-XMMPIXPASA-N 434.511 3.899 0 40 IHAB CC(C)Oc1cccc(CCCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c1 223309202 XLIZOINQYDYYRY-UHFFFAOYSA-N 442.581 3.684 0 40 IHAB CCc1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)ccc1OC 223756978 ORZLKUIGZSYCBK-UHFFFAOYSA-N 446.550 3.859 0 40 IHAB CC(C)(C)c1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 224275299 FTBUMDQJOJFZON-UHFFFAOYSA-N 430.570 3.577 0 40 IHAB CCc1ccc([C@H](C)NS(=O)(=O)c2ccc(OC)c(I)c2)cc1 224443773 VAPNGRHDGJHANX-LBPRGKRZSA-N 445.322 3.902 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCCOc1ccccc1)c1cccc2ccccc12 224682271 WUDIOSZEIKYRGG-UHFFFAOYSA-N 426.538 3.581 0 40 IHAB O=C(CCc1c(Cl)cccc1Cl)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 225348173 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IHAB O=C1CO[C@]2(CCCN(Cc3cnc(-c4ccccc4)nc3)CC2)CN1c1ccccc1 2037988966 PMELSSGJVPZHLG-SANMLTNESA-N 428.536 3.932 0 40 IHAB COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(Br)cc3)n2C)cc1 686677 NNEYRDJOCWZWNH-UHFFFAOYSA-N 447.358 3.908 0 40 IHAB CC[C@H](C)OC(=O)[C@@H](C)n1cnc2sc(C(=O)Nc3ccccc3OC)c(C)c2c1=O 791244 SEMDPWIKESWLTE-GXTWGEPZSA-N 443.525 3.930 0 40 IHAB COc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nncs2)c1OC 2235186 MVLFNOQKGLMAHM-KRWDZBQOSA-N 435.461 3.720 0 40 IHAB CCOC(=O)N1CCN(c2nc(SCC)nc3sc4c(c23)CC(C)(C)OC4)CC1 2432367 RLBIVAWOPSXYOY-UHFFFAOYSA-N 436.603 3.933 0 40 IHAB Cc1ccc(NC(=O)c2c(Cl)nc3sccn23)c(S(=O)(=O)N2CCCCC2)c1 3241447 GCABORQWYZYMSK-UHFFFAOYSA-N 438.962 3.785 0 40 IHAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)c1C 5979922 NFEXPFGARMUUSZ-LJQCHSNASA-N 430.545 3.686 0 40 IHAB Cc1cccc(C)c1NC(=O)CCc1nnc2s/c(=C/c3ccc(Cl)cc3)c(=O)n12 8653176 QSWGTKLVHUKLPZ-SFQUDFHCSA-N 438.940 3.540 0 40 IHAB O=C(Nc1ccc(Br)cc1)C1CCC(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)CC1 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CC(=O)c1ccc(OCCCC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 9779334 ZSHNKRAPDWTQBN-UHFFFAOYSA-N 444.553 3.862 0 40 IHAB Cc1ccc(N(CC(=O)NCc2cccc(C)c2)S(=O)(=O)c2ccc(F)cc2)cc1 10447901 ODJPCDPXSVNQPG-UHFFFAOYSA-N 426.513 3.954 0 40 IHAB CC1(C)CC(=O)CC(C)(C)N1C(=O)COC(=O)c1ccc(NC(=O)c2cccs2)cc1 10672859 WNWYUWZZMIACNV-UHFFFAOYSA-N 442.537 3.906 0 40 IHAB O=C(CCc1ccc2c(c1)OCO2)OCc1nc2ccccc2c(=O)n1-c1ccc(F)cc1 12453886 QIWRNXMSDDRWGX-UHFFFAOYSA-N 446.434 3.930 0 40 IHAB Cc1ccc(-n2c(SCC(=O)N3CCc4ccccc4C3)nnc2N2CCCC2)cc1 12543198 AAMUGAOWOIGKLN-UHFFFAOYSA-N 433.581 3.853 0 40 IHAB O=C(Nc1ccccc1N1CCCCC1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 12557322 BRKHYTPVVOGHLQ-QGZVFWFLSA-N 433.599 3.778 0 40 IHAB CC(C)(C)c1cccc(OCC(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@H]2CCCO2)c1 12981226 RWHOINJSTAWLCC-HXUWFJFHSA-N 449.551 3.807 0 40 IHAB COc1cc(CSc2nc(CC(=O)Nc3ccc(C(N)=O)cc3)cs2)cc(OC)c1 13010373 YYTWUVIGSNPIMK-UHFFFAOYSA-N 443.550 3.733 0 40 IHAB COc1cc(C(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)cc(OC)c1Br 13012078 DZKUVAGQQYRZIB-CYBMUJFWSA-N 445.317 3.880 0 40 IHAB CCOc1ccc(NC(=O)/C=C/c2ccccc2OC)cc1S(=O)(=O)N1CCCCC1 13149510 SKXYHMYYLSTJDT-SDNWHVSQSA-N 444.553 3.920 0 40 IHAB Cc1cc(C)cc(N(CC(=O)NC2CCCC2)C(=O)CCC(=O)Nc2nccs2)c1 13501701 HCOARNLUUFRQOQ-UHFFFAOYSA-N 428.558 3.571 0 40 IHAB CCOC(=O)c1ccc(C)c(NC(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 13671097 CEWRQELLOZDYJO-KRWDZBQOSA-N 432.542 3.582 0 40 IHAB CC[C@H](C(=O)Nc1cccc(C(=O)OC)c1C)N(c1cccc(Cl)c1)S(C)(=O)=O 13712545 HVQAZYAAIQBKFK-GOSISDBHSA-N 438.933 3.618 0 40 IHAB O=C(OCC(=O)N1CCOCC1)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2 15379354 KWHKCBJZEMEBEM-ICFOKQHNSA-N 432.476 3.720 0 40 IHAB COc1cccc(CNC(=O)C2CCN(c3ncnc4c3sc3ncccc34)CC2)c1 16960327 ZAJPGXYMUMSSCW-UHFFFAOYSA-N 433.537 3.781 0 40 IHAB Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)[C@@H](C)N4CCOCC4)C3)c(-c3ccncc3)c2c1 19220136 YASMEVCIGUFZJB-TZIWHRDSSA-N 432.568 3.965 0 40 IHAB Cc1c(CN2C[C@@H](c3ccc(F)c(F)c3)[C@@]3(COCCC(=O)N3)C2)[nH]c2ccccc12 19565943 WVHUUTQGTOQKFL-UUOWRZLLSA-N 425.479 3.629 0 40 IHAB COc1ccc([C@H](C)NC(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1 20105583 WIICLALGLSNXKS-LBPRGKRZSA-N 431.341 3.645 0 40 IHAB O=C(O)[C@H](c1c(-c2ccccc2)[nH]c2ccccc12)N1CCCN(c2ncccn2)CC1 20733170 GDIOIESIJHLVFH-QHCPKHFHSA-N 427.508 3.963 0 40 IHAB C=C1c2ccccc2C(=O)N1CCC(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 21380970 NHQXJOALXQSOIC-UHFFFAOYSA-N 432.307 3.907 0 40 IHAB Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3)c12 22476485 UKOOLZOLAFVUBN-UHFFFAOYSA-N 430.512 3.541 0 40 IHAB O=C(CN1CCN(Cc2nc(-c3ccccc3Cl)no2)CC1)Nc1ccccc1Cl 22929545 KNTFNJRZGCKIPU-UHFFFAOYSA-N 446.338 3.800 0 40 IHAB C[C@H](OC(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1)C(=O)c1c[nH]c2ccccc12 23046589 YOLLTYQERXCBSC-HNNXBMFYSA-N 446.500 3.522 0 40 IHAB COc1ccc(-c2nc(CC(=O)NCC3(N4CCOCC4)CCCCC3)cs2)cc1 23819119 RUMQAPXQPWHQFF-UHFFFAOYSA-N 429.586 3.513 0 40 IHAB Cc1nc2c(cc(OS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)c3ccsc32)s1 24749618 AYMJWOVVPPAZCD-UHFFFAOYSA-N 439.561 3.991 0 40 IHAB COC(=O)c1c(CN2CCN(c3cc(C)nc(C(C)C)n3)CC2)nc2ccccc2c1C 29632496 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O=C(O)C1(Cc2ccccc2Br)CCN(S(=O)(=O)c2ccccc2)CC1 34936179 SOVFJDTYKOGFLD-UHFFFAOYSA-N 438.343 3.547 0 40 IHAB COc1ccc(-n2c(SCC(=O)NCc3cccs3)nnc2-c2cccnc2)cc1 35314092 UJXBTFDYJWIJKC-UHFFFAOYSA-N 437.550 3.808 0 40 IHAB Cc1ccc2[nH]c3c(=O)n(CCC(=O)NCc4ccc(Br)cc4)cnc3c2c1 35424207 OFSXVACXHUYIJT-UHFFFAOYSA-N 439.313 3.655 0 40 IHAB C[C@H]1C[C@H](C)CN(C(=O)Cn2c(SCC(=O)N3CCC[C@@H](C)C3)nc3ccccc32)C1 36351101 VGACNPHYZYEFFK-QYZOEREBSA-N 442.629 3.891 0 40 IHAB O=C(N[C@H]1CCCc2ccccc21)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 37407990 RQJJAKMMXJZCKL-UTKZUKDTSA-N 432.973 3.935 0 40 IHAB Cc1nccn1-c1ccc(CNC(=O)[C@@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)cn1 40156080 CSYBQTQDLTTYRR-GKWUYRECSA-N 449.599 3.549 0 40 IHAB C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)COc3ccccc3)cc2)c2ccccc2O1 41157581 LGMOTKMKVQJZJO-QGZVFWFLSA-N 438.505 3.680 0 40 IHAB COc1cccc(Cn2c(SCC(=O)N3CCC[C@@H](C)C3)nc3ccsc3c2=O)c1 57426177 HFMBAEHSPDXHBT-OAHLLOKOSA-N 443.594 3.866 0 40 IHAB COc1ccccc1-n1c(SCC(=O)N2CCCC[C@H]2C)nc2ccsc2c1=O 57487632 FMTGCVJTCUCACR-CQSZACIVSA-N 429.567 3.949 0 40 IHAB CCCC[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(c2nc3ccccc3s2)CC1 57670398 JEFGPYFULQYDPK-HKUYNNGSSA-N 441.605 3.515 0 40 IHAB CC(=O)Nc1ccc2c(COC(=O)Cc3c(C)nn(CC(C)C)c3C)cc(=O)oc2c1 57704268 NWAJQCGZHNPVDQ-UHFFFAOYSA-N 425.485 3.507 0 40 IHAB CN(Cc1ccc(OC(F)F)cc1)C(=O)COC(=O)c1csc(-c2ccccn2)n1 58159704 YBWCLIWUJXDCLQ-UHFFFAOYSA-N 433.436 3.622 0 40 IHAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)CCCc1ncc(-c2ccccc2)o1 58810669 SIJIMJBRVRDWIX-MRXNPFEDSA-N 427.526 3.531 0 40 IHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCc1ncc(-c2ccc(OC)cc2)o1 63891201 KXGRVLUAIRHCLB-UHFFFAOYSA-N 440.452 3.725 0 40 IHAB COc1ccc(NC(=O)[C@H]2C[C@H]3CCCN3[C@]23C(=O)Nc2c(C)cc(Cl)cc23)cc1 64137040 NXXMKOFORGUWMC-HFXUHXBXSA-N 425.916 3.927 0 40 IHAB Cc1c(C(=O)NCc2ccccc2F)cnn1-c1ccc(-c2nc(C(C)(C)C)no2)cn1 65251534 HVMWIFFWNFYCGG-UHFFFAOYSA-N 434.475 3.992 0 40 IHAB CCOc1ccc(-c2cc3c(=O)n(CCC(=O)NCc4cccc(C)c4)ccn3n2)cc1 67261256 SVWFBOOXCXMXAJ-UHFFFAOYSA-N 430.508 3.577 0 40 IHAB CCc1noc(-c2ccc(-n3cnc(C(=O)NCc4ccccc4C(F)(F)F)c3)nc2)n1 71768352 PJKKQOWLKOPYNZ-UHFFFAOYSA-N 442.401 3.829 0 40 IHAB Nc1ncc(-c2ccccc2F)c([C@@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)n1 72376929 OUEIRXAVFWOTSS-IBGZPJMESA-N 430.480 3.920 0 40 IHAB CC(C)NC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CN(C(=O)CC2CCCC2)CCO1 72389192 BBCQWZJQSOJVMC-HHHXNRCGSA-N 449.595 3.994 0 40 IHAB CN(C)c1nc(N2CCOCC2)ncc1NC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 96121426 ZFMFFZUBXGTNJN-UHFFFAOYSA-N 444.845 3.695 0 40 IHAB CC(C)n1cnc([C@H]2CN(C(=O)c3ccccn3)c3ccc(C(=O)NC4CCCC4)cc32)n1 96156412 DZQUOIAFYNBWPT-FQEVSTJZSA-N 444.539 3.719 0 40 IHAB C/C=C/C=C/C(=O)NCCN1C(=O)S/C(=C/c2ccc(OC(F)F)c(OC)c2)C1=O 98004104 ZUMVRUCZPYYRSK-SOURMSKZSA-N 438.452 3.581 0 40 IHAB Cc1cc2c(c(O)c1-c1c(C)cc3c(c1O)C(=O)[C@H](O)[C@@H]3C(C)C)C(=O)[C@H](O)[C@@H]2C(C)C 101224484 QNSJPNOLAYAJEG-KQACMCHDSA-N 438.520 3.975 0 40 IHAB COc1ccccc1CNc1nc(NCc2ccccc2OC)n(C(=O)c2ccncc2)n1 199431996 UMLPSOQWQAPJTA-UHFFFAOYSA-N 444.495 3.603 0 40 IHAB O=C1CN(C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)c2ccccc2N1 216245522 MEXOEOLXGGMCDG-UHFFFAOYSA-N 441.896 3.740 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1ccc(CN2CCCC2)cc1 216285084 UMOIYKXPYGAEFL-UHFFFAOYSA-N 436.537 3.731 0 40 IHAB C[C@H](C(=O)NCCCc1ccccc1)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 220437769 ZJOXOFQWYAYELM-CQSZACIVSA-N 429.369 3.897 0 40 IHAB C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N(c1cccc(F)c1)S(C)(=O)=O 220480493 SNRVTIGMBZBCEY-QGZVFWFLSA-N 426.513 3.886 0 40 IHAB CCCCNS(=O)(=O)c1ccc(OCC(=O)NCc2cccc3ccccc23)cc1 222721646 FLOPAEIFZFLWGJ-UHFFFAOYSA-N 426.538 3.613 0 40 IHAB CC[C@H](C(=O)NCCOc1cccc2ccccc12)N(c1ccc(C)cc1)S(C)(=O)=O 223545372 KOMSZZQRNGDCQX-JOCHJYFZSA-N 440.565 3.888 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCCOc1ccccc1)c1cc(Cl)ccc1Cl 224151767 GFEPYWQNWYXYHE-UHFFFAOYSA-N 445.368 3.735 0 40 IHAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc2c(c1)OCCO2 224348444 FMCDMZNZCLGWRD-HXUWFJFHSA-N 444.959 3.987 0 40 IHAB CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCc1ccc(OC)c(OC)c1 225065764 GDYBDHHWLJMRSP-IBGZPJMESA-N 426.557 3.622 0 40 IHAB O=C(NCCSCc1cccc(Cl)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 225566415 GVERKELCZYTSTJ-UHFFFAOYSA-N 439.002 3.788 0 40 IHAB COc1ccc(NC(=O)C2(NS(=O)(=O)Cc3ccc(F)cc3F)CC2)c2ccccc12 225928101 KWONNTHNBGTBES-UHFFFAOYSA-N 446.475 3.717 0 40 IHAB O=C(COc1nn(-c2ccccc2)cc1Br)NCCCc1ccc(F)cc1 227151739 IJKUIAGERUIXPI-UHFFFAOYSA-N 432.293 3.902 0 40 IHAB Cc1cccnc1Nc1cncc(C2CCN(S(=O)(=O)CCc3ccccc3)CC2)n1 257237115 HFFSSRORUDWASE-UHFFFAOYSA-N 437.569 3.676 0 40 IHAB O=C1NCCN(C(=O)CCc2ccc(Cl)cc2)[C@@H]1Cc1ccc(-c2ccncc2)cc1 257319770 VTZOYHADOGANFD-HSZRJFAPSA-N 433.939 3.904 0 40 IHAB COc1ccc(N(CCCC(=O)NC[C@H](C)c2ccccc2)S(C)(=O)=O)cc1Cl 260851008 UUMZDRZHLKFKSQ-INIZCTEOSA-N 438.977 3.815 0 40 IHAB CCCCCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OC)c(Cl)c2)cc1 408550158 AOXTVIKIKWIGJK-UHFFFAOYSA-N 440.949 3.835 0 40 IHAB Cc1cccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)c2)c1C 408652887 DHFWGKAQVDQKCO-WOJBJXKFSA-N 434.492 3.779 0 40 IHAB Cc1ccccc1N1C[C@H](C(=O)Nc2ccc(C(=O)Nn3c(C)ccc3C)cc2)CC1=O 408678762 CVOQYYWIOKPMRA-HXUWFJFHSA-N 430.508 3.789 0 40 IHAB Cc1ccccc1C(=O)N[C@@H](C)c1nnc(SCC(=O)Nc2c(C)cccc2C)n1C 409345871 LZFQSVNVYMVQGH-KRWDZBQOSA-N 437.569 3.962 0 40 IHAB CN(C(=O)CCSc1ccc2c(c1)OCCO2)[C@H]1CCCN(c2ccccc2)C1=O 606201653 VVZBHMRRJKIRQY-IBGZPJMESA-N 426.538 3.594 0 40 IHAB O=C1NCCCCC2(CCN(CC3CCCCC3)CC2)C(=O)NCCOc2ccccc21 643567193 UKUSUYGQVNSIOE-UHFFFAOYSA-N 441.616 3.758 0 40 IHAB Cc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCCO3)S(=O)(=O)c3ccccc3Cl)cc2c1 914013 QYKQRNMJZJHXGQ-SFHVURJKSA-N 446.956 3.860 0 40 IHAB CC1(C)Oc2ccc(C(=O)Nc3ccccc3)cc2N(CC(=O)NCc2ccccc2)C1=O 1342369 OVLYEBMBISJUTA-UHFFFAOYSA-N 443.503 3.759 0 40 IHAB COc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)n2)cc1 1518100 ZYPBZHWDWSTNIQ-UHFFFAOYSA-N 443.550 3.856 0 40 IHAB COC(=O)Cc1c(C)c2ccc(OCC(=O)c3ccc(Br)cc3)cc2oc1=O 2145445 QUPTWAFBHZFWEG-UHFFFAOYSA-N 445.265 3.841 0 40 IHAB biogenic COC(=O)[C@@H](C)Oc1ccc2c(-c3cc4cccc(OC)c4oc3=O)cc(=O)oc2c1C 2160803 NVACJIKHPZSPRQ-CYBMUJFWSA-N 436.416 3.824 0 40 IHAB biogenic CC[C@@]1(C)Cc2c(sc3nc(SCC(=O)O)n(Cc4ccccc4)c(=O)c23)CO1 2254517 MXMNQXMTQKGYAO-NRFANRHFSA-N 430.551 3.924 0 40 IHAB C[C@H](C(=O)N(C)Cc1ccccc1)N1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 2641366 JPBKBZZCVYUFSR-LJQANCHMSA-N 427.504 3.529 0 40 IHAB CC(C)(C)c1ccc(C(=O)CCC(=O)OCC(=O)NCc2ccc3c(c2)OCO3)cc1 6084912 AWVKPVBNQIIUIH-UHFFFAOYSA-N 425.481 3.535 0 40 IHAB CCOc1ccc(S(=O)(=O)NCCc2csc3nc(-c4cccc(C)c4)nn23)cc1 8601468 RBSKPVFWMXZGJE-UHFFFAOYSA-N 442.566 3.686 0 40 IHAB Cc1ccc(C2=NN(C(=O)Cn3nnc(-c4ccccc4C)n3)[C@@H](c3ccco3)C2)cc1 9127746 KJSPLBITKVEIRH-OAQYLSRUSA-N 426.480 3.928 0 40 IHAB COc1ccc2cc(CCNC(=S)Nc3ccc(Br)cc3)c(=O)[nH]c2c1 9278783 BQDAUCXEFMZGKM-UHFFFAOYSA-N 432.343 3.828 0 40 IHAB Cc1cccc(-n2nc3c(c2NC(=O)COc2ccc(Cl)cc2)C[S@](=O)C3)c1C 9413467 UKWRKAIMWNGLEA-GDLZYMKVSA-N 429.929 3.922 0 40 IHAB Cc1ccnc(SCc2nc3cc(NS(=O)(=O)c4ccccc4)ccc3n2C)n1 9421468 CMVWYXKDGVUFIB-UHFFFAOYSA-N 425.539 3.765 0 40 IHAB COc1ccc(OC)c(NC(=O)CSc2ncnc3c2cnn3-c2ccc(F)cc2)c1 9517636 VLEXJXWQUOAVBG-UHFFFAOYSA-N 439.472 3.703 0 40 IHAB CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)N1CCN(c2cccc(Cl)c2)CC1 9635491 LPGYRVKBOJOJMI-HXUWFJFHSA-N 435.902 3.721 0 40 IHAB COc1ccc(NC(=O)c2cccc(-n3cccc3)c2)cc1S(=O)(=O)N1CCCCC1 9646071 KJYSUCAACKQOCE-UHFFFAOYSA-N 439.537 3.913 0 40 IHAB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)c2ccc(NC(=O)CC(C)C)cc2)cc1 9671628 FPBHFXXXVHLOOG-UHFFFAOYSA-N 445.537 3.570 0 40 IHAB Cc1ccc(Nc2nc(N)nc(CSc3nnc(-c4ccncc4)n3C3CC3)n2)cc1 9728652 KTWPEPKTSIIKJP-UHFFFAOYSA-N 431.529 3.787 0 40 IHAB CCc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)c(Cl)c2)C1 9974649 UWPHOQSIYVGSGV-MRXNPFEDSA-N 436.961 3.950 0 40 IHAB CCCc1cc(N2CCC(NC(=S)Nc3ccc(C(=O)OCC)cc3)CC2)nc(C)n1 10078832 RZELTGIHQUMONU-UHFFFAOYSA-N 441.601 3.870 0 40 IHAB CC1CCN(CCCNC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)CC1 10540733 LVEOARHHLJXHFF-UHFFFAOYSA-N 443.613 3.505 0 40 IHAB COc1ccc([C@@H]2CN(C(=O)c3c(C(C)C)noc3C)C[C@H]2c2cc(O)nc(C)n2)cc1 12163612 RYEYWXMRCJFUSY-RBUKOAKNSA-N 436.512 3.942 0 40 IHAB CCOc1ccc(-c2noc(C3CCN(S(=O)(=O)c4cccs4)CC3)n2)cc1OC 12415404 ICJORJFBZVIAOY-UHFFFAOYSA-N 449.554 3.774 0 40 IHAB CC[C@@H](NC(=O)Cn1c(-c2nonc2N)nc2ccccc21)C12CC3CC(CC(C3)C1)C2 12418749 PTDDQCSFYNIEIT-NFQTVLRUSA-N 434.544 3.780 0 40 IHAB COc1ccc2nc(-c3cccc(NS(=O)(=O)c4cc(C)c(C)cc4OC)c3)cn2n1 12441312 BDUBBTQHBOAWCB-UHFFFAOYSA-N 438.509 3.831 0 40 IHAB Cn1ccnc1[C@@H](NC(=O)c1ccccc1I)c1cccc(F)c1 12519881 RGSDUSLVCHOFMA-INIZCTEOSA-N 435.240 3.683 0 40 IHAB Cc1cc(SCC(=O)NC[C@@H](c2cccs2)N2CCOCC2)nc2ccccc12 12554009 RGUGPAWQAKCZOU-IBGZPJMESA-N 427.595 3.887 0 40 IHAB COc1ccc(Cl)cc1NC(=O)CN1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 12564855 XONOVODJMUSHHI-OAQYLSRUSA-N 443.931 3.567 0 40 IHAB COc1ccc([C@H](C(=O)NC(C)(C)C)N(Cc2ccccc2)C(=O)c2csnn2)cc1 12871587 RLXHHXJKHKGLDI-HXUWFJFHSA-N 438.553 3.845 0 40 IHAB Cc1ccc(C2=NN(C(=O)Cn3nc(-c4ccc(F)cc4)oc3=O)[C@@H](c3ccco3)C2)cc1 13165258 FTYNESRMMNMLHG-HXUWFJFHSA-N 446.438 3.922 0 40 IHAB COc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)c(OC)c1 14062787 BCQMYYHLJSIYAZ-UHFFFAOYSA-N 430.457 3.896 0 40 IHAB CC(C)N(CC(N)=O)CC(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1 14190406 MGDPBUWIYICNNX-UHFFFAOYSA-N 436.375 3.735 0 40 IHAB Cc1sc2ncn(CC(=O)Nc3nc(CN4C[C@H](C)C[C@@H](C)C4)cs3)c(=O)c2c1C 14528912 NYKPBDQJMJPQEC-CHWSQXEVSA-N 445.614 3.648 0 40 IHAB O=C(CCN1C(=O)c2ccccc2C1=O)Nc1c(C(=O)c2ccco2)oc2ccccc12 14863242 PFOXXFVCQMANAD-UHFFFAOYSA-N 428.400 3.882 0 40 IHAB COc1cc(C(C)=O)ccc1OC[C@@H](O)CSc1nnc(C)n1-c1ccc(C)cc1 15233870 OTMOCKXRBNSDLR-LJQANCHMSA-N 427.526 3.627 0 40 IHAB CCOC(=O)c1c(NC(=O)Cn2cnc3ccc(Cl)cc3c2=O)sc(C)c1CC 16048198 UGUOMDJZBDZAFJ-UHFFFAOYSA-N 433.917 3.798 0 40 IHAB Cc1ccc(CC(=O)N2CCC[C@@H]2c2c(-c3ccnc(N4CCCC4)n3)cnn2C)cc1 19209564 ZGZMPYHLABELIC-JOCHJYFZSA-N 430.556 3.692 0 40 IHAB CC(C)c1cc(C(=O)N2CC[C@](Cc3cccc(-c4ccc(F)cc4)c3)(C(N)=O)C2)[nH]n1 19451721 YORBQPZDWIRLHR-RUZDIDTESA-N 434.515 3.900 0 40 IHAB CN(C)c1cc(C2CCN(C(=O)COc3ccc(F)cc3)CC2)nc(-c2cccnc2)n1 19584459 PBBRGXNCDYVFIO-UHFFFAOYSA-N 435.503 3.529 0 40 IHAB COc1ccc(NC(=O)[C@@H]2C[C@H](C3CCN(Cc4ccccc4OC)CC3)N(C)C2)cc1 19587711 CGGRSJSDHFWMTR-ZJSXRUAMSA-N 437.584 3.875 0 40 IHAB Cc1nnsc1C(=O)N1CCC(c2nc(N(C)C)ncc2-c2ccccc2F)CC1 19695138 BDFMQXFMELIPEW-UHFFFAOYSA-N 426.521 3.528 0 40 IHAB CCN(C(=O)Cc1nonc1N)[C@H]1CCO[C@@H](c2ccc(-c3cc(F)cc(F)c3)cc2)C1 19711990 ANDLROAVNZFIJE-PZJWPPBQSA-N 442.466 3.908 0 40 IHAB O=C1CCCC[C@@H]2[C@H](C[C@@H](Cc3ccc(F)cc3)N2C(=O)COc2ccc(F)cc2)N1 19712134 FRLYWYCSSZDWGJ-BAGYTPMASA-N 428.479 3.615 0 40 IHAB CC(=O)N[C@H]1C[C@@H](c2cccc(NC(=O)c3ccc(-n4cnnc4)cc3)c2)O[C@@H](C(C)C)C1 19712227 FNEVXXQRJHBJKO-JRFVFWCSSA-N 447.539 3.900 0 40 IHAB CCCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)cc1 20036664 JAIQVMCKLNHPTQ-UHFFFAOYSA-N 430.526 3.880 0 40 IHAB COc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2OC)cc1 20108907 ISFDDVCOHWQAFI-QGZVFWFLSA-N 446.569 3.615 0 40 IHAB Cc1ccc([C@H](c2nnnn2CCc2ccccc2)N2CCN(C3CCCC3)CC2)cc1 20142228 MJMKYGVKACMINZ-RUZDIDTESA-N 430.600 3.874 0 40 IHAB C[C@@](CNS(=O)(=O)c1ccccc1)(c1ccccc1)N1CCN(Cc2ccccc2)CC1 22035984 GCQXXVXUSMINJH-AREMUKBSSA-N 449.620 3.698 0 40 IHAB COc1ccc(NC(=O)c2ccccc2NC(=O)CNC[C@@H](c2ccccc2)N(C)C)cc1 22037618 FTJRVCQXQVWUKI-DEOSSOPVSA-N 446.551 3.779 0 40 IHAB CC[C@@H](C)NC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1 22276182 KMHMVZMYLGTSSF-OAHLLOKOSA-N 439.375 3.868 0 40 IHAB Cn1ccnc1[C@@H](NC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1 24538313 ZOHJVYSTQXWYRC-WMZOPIPTSA-N 432.952 3.926 0 40 IHAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NCCCN3C[C@H](C)O[C@@H](C)C3)cc12 24968859 RPIQMTJEHMQGKP-HOTGVXAUSA-N 444.576 3.823 0 40 IHAB COc1cc(C(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)cc(OC)c1OCc1ccccc1 25973325 VVEBGJHTCCNDTE-RTBURBONSA-N 442.556 3.512 0 40 IHAB CCCn1c(=O)[nH]c(=O)c2c(C(=O)N(C)Cc3ccc(Cl)cc3)cc(C(C)C)nc21 29982170 ZGHFIPJJWVNBCO-UHFFFAOYSA-N 428.920 3.544 0 40 IHAB Cc1cc(S(=O)(=O)N[C@H](C)c2ccc3c(c2)OCCCO3)ccc1Br 32443123 FTVPACOZBKCDPD-CYBMUJFWSA-N 426.332 3.958 0 40 IHAB Cc1cccc(NC(=O)C[C@@]23CSc4[nH]c(=O)sc4[C@H]2c2ccccc2OC3=O)c1 32594663 RTYKHDNSCSRPPR-VGOFRKELSA-N 438.530 3.917 0 40 IHAB CC(C)n1ncc2c(C(=O)N3C[C@@H](C(N)=O)Oc4ccccc43)cc(-c3ccccc3)nc21 32674804 KYOAVLLJGJMWEP-QFIPXVFZSA-N 441.491 3.572 0 40 IHAB Cc1c(Cl)c(CSc2nnc(CCC(N)=O)n2C[C@H]2CCCO2)nc2ccccc12 32905070 FVKZSLNRQYTYDY-CQSZACIVSA-N 445.976 3.677 0 40 IHAB COc1ccc(C(=O)Nc2ccccc2OCc2cc(=O)n3cccc(C)c3n2)cc1OC 33067859 DELQZZFZQDPMHI-UHFFFAOYSA-N 445.475 3.851 0 40 IHAB NC(=O)c1cc(NC(=O)[C@@H]2CCCN(c3ncccc3C(F)(F)F)C2)ccc1Cl 40132836 LGUXJXZCBREDLL-LLVKDONJSA-N 426.826 3.708 0 40 IHAB Cc1ccc(-n2nc(C(=O)Oc3ccc(NS(C)(=O)=O)cc3)c3c2CCCC3)cc1F 40156554 YIIJAZOBCMRIGT-UHFFFAOYSA-N 443.500 3.789 0 40 IHAB COc1ccc(-c2nn3c(=O)cc(CNC(=O)Nc4ccc(C)c(C)c4)nc3s2)cc1 41077106 XKVGFPQRFRDTOP-UHFFFAOYSA-N 435.509 3.765 0 40 IHAB O=C(Nc1ccc(Br)cc1F)c1ccc(CS(=O)(=O)N2CCCC2)cc1 44899736 PRQPLHKTIIHVKZ-UHFFFAOYSA-N 441.322 3.766 0 40 IHAB COc1ccccc1NC(=O)Cn1cc(C(=O)Nc2ccccc2)c(=O)c2ccc(C)nc21 49002017 WXMKTRHPFDCZCT-UHFFFAOYSA-N 442.475 3.605 0 40 IHAB COc1ccc(OCc2nc(C)cc(=O)n2CC(=O)Nc2ccc(Cl)cc2F)cc1 51319386 SADUROQKHFBAJP-UHFFFAOYSA-N 431.851 3.571 0 40 IHAB Cc1ccc(NC(=O)Cn2c(=O)n(-c3ccccc3)c(=O)c3sccc32)c(Cl)c1 57428800 WNQHXXCJECLHFU-UHFFFAOYSA-N 425.897 3.814 0 40 IHAB O=C(Cn1nc2c(-c3nc(-c4ccccc4)no3)cccn2c1=O)Nc1ccccc1Cl 57503772 CMQAKFLMWYMDPZ-UHFFFAOYSA-N 446.854 3.505 0 40 IHAB CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCCN1S(=O)(=O)c1ccc(F)c(F)c1 58159344 CYRFGKKHCYASGZ-ZWKOTPCHSA-N 430.517 3.908 0 40 IHAB CC(=O)c1ccc(N2CCN([C@@H](C)C(=O)Nc3ccc(Br)cc3)CC2)cc1 58159445 AQXKHZBCFWBADJ-HNNXBMFYSA-N 430.346 3.801 0 40 IHAB O=C(CN1CCCC[C@H]1c1nc2ccccc2s1)NC(=O)Nc1ccc2c(c1)OCO2 58160650 RHTXPCSPLYVWRV-INIZCTEOSA-N 438.509 3.900 0 40 IHAB CC(=O)Nc1c(C)cccc1-c1nnc(SCC(=O)Nc2cccc(Cl)c2)nc1O 64774847 YLRNNQVGXSMJPA-UHFFFAOYSA-N 443.916 3.895 0 40 IHAB CCOc1ccccc1NC(=O)Cn1c(=O)n(-c2cccc(C)c2C)c(=O)c2sccc21 67218390 NNJQLIJPCKYQHF-UHFFFAOYSA-N 449.532 3.868 0 40 IHAB CC(C)NC(=O)c1sc2ccccc2c1C[C@H]1CCCCN1C(=O)CN1CCCC1=O 72370566 NTUCQDHETJMCBQ-QGZVFWFLSA-N 441.597 3.586 0 40 IHAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCCc1nc2c(c(C(F)(F)F)n1)CCCC2 77101233 ISPYPPMGWBJYCA-UHFFFAOYSA-N 447.436 3.886 0 40 IHAB Cc1ccc(/C=C/S(=O)(=O)N2CCC(Oc3ncccc3Br)CC2)cc1 96097018 GEQOTYABTQFWIN-GXDHUFHOSA-N 437.359 3.996 0 40 IHAB CC(=O)N[C@@H]1C(=O)N(Cc2cc3c(cc2Cl)OCO3)c2ccc(Br)cc21 101408766 OMYVWZLBVSNBNQ-KRWDZBQOSA-N 437.677 3.555 0 40 IHAB COc1cccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@H]4C[C@H](C)CC[C@H]4C3=O)c2)c1 102081119 BOFQNRMVJLPPBU-LPTQZCDUSA-N 435.476 3.661 0 40 IHAB CCc1cccc(CC)c1NC(=O)[C@@H](C)N(c1ccc(OC)c(OC)c1)S(C)(=O)=O 220234264 VEERREYLUWQXMI-OAHLLOKOSA-N 434.558 3.622 0 40 IHAB CCOc1ccc(CCCNC(=O)[C@@H](CC)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1 220554871 KBQIROGVLZVESP-JOCHJYFZSA-N 446.613 3.996 0 40 IHAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)COc1cc(OC)cc(OC)c1 222398552 DOTVVEPJTAFKAE-HSZRJFAPSA-N 442.556 3.723 0 40 IHAB CCOC(=O)c1cccc(NS(=O)(=O)c2ccc(SC)c(NC(=O)C(C)C)c2)c1 223556884 FDEMXNINFZKMGO-UHFFFAOYSA-N 436.555 3.981 0 40 IHAB C[C@H](COc1ccccc1)NC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1 224186613 KRKQSRNJSHCGMI-MRXNPFEDSA-N 430.551 3.771 0 40 IHAB CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(OC)c(OC)c1 224386571 ONPYIFINIPGHQK-HXUWFJFHSA-N 430.520 3.719 0 40 IHAB CS(=O)(=O)N(CC(=O)Nc1ccc(N2CCCC2)cc1)c1ccc(Cl)c(Cl)c1 224906161 RQOLKEOOCJMJTJ-UHFFFAOYSA-N 442.368 3.998 0 40 IHAB CCOc1ccc(CCC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC)cc1OCC 225436081 AHGBTTHGFQVBAT-QGZVFWFLSA-N 430.520 3.719 0 40 IHAB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc2c(c1)OCO2 225552998 TZJQRTLFDDUFHF-INIZCTEOSA-N 430.932 3.943 0 40 IHAB COc1cccc2cc(C(=O)N3CCC(N4CC(=O)N(c5ccccc5)C4=O)CC3)oc12 238933523 VHGKYEIDRTYMGW-UHFFFAOYSA-N 433.464 3.515 0 40 IHAB CC(=O)N1CCC(Cc2ccccc2)(C(=O)N2CCC[C@@H]2c2ccnc(N(C)C)c2)CC1 257247743 JAHDMCUUAKQVHX-HSZRJFAPSA-N 434.584 3.683 0 40 IHAB CC1=NN(CCC(=O)NC[C@H]2CC[C@H](c3c(C(N)=O)sc4ccccc43)CC2)CC1 257313574 UTFXSPUQTKPXGB-QAQDUYKDSA-N 426.586 3.862 0 40 IHAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)N[C@@H](c2ccsc2)c2cccs2)cc1 390831430 RUIXRCHOVMMOGD-IBGZPJMESA-N 432.548 3.531 0 40 IHAB Cc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OCC(=O)Nc1ccc(F)cc1 408586293 BASSDSFVJDROHO-UHFFFAOYSA-N 440.496 3.903 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1C(=O)N1CCCC1 408611545 XKYNZNQCRSONQS-UHFFFAOYSA-N 426.582 3.874 0 40 IHAB Cc1cccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC[C@H](C)C[C@H]4C3=O)cc2)c1 408657809 HRNOUWQWEUCLSI-ZLGUVYLKSA-N 434.492 3.716 0 40 IHAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccccc3C(=O)OC)o2)C1=O 409008702 AQKURFNBNJNPOJ-OOIIIRTPSA-N 429.450 3.721 0 40 IHAB CCOc1cc(Br)c(/C=C2/SC(=O)N(CCCOC)C2=O)cc1OC 409242714 SQHJTLCTJRPFRH-OQLLNIDSSA-N 430.320 3.929 0 40 IHAB COc1cc(C=O)cc(I)c1OCC(=O)Nc1cc(C)ccc1C 409253812 GWXHHKXGZPNHLG-UHFFFAOYSA-N 439.249 3.747 0 40 IHAB CCCN1CCN(C(=O)c2cnc[nH]2)C[C@@H](Cc2ccccc2-c2ccc(C)cc2)C1=O 585183580 DMSNIDMCDKBHNL-JOCHJYFZSA-N 430.552 3.938 0 40 IHAB Cc1ccc(C)c(OCCCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1 1779195 IOGSITOAJWUHHD-UHFFFAOYSA-N 440.525 3.692 0 40 IHAB CCOC(=O)CSc1nc(SCC(=O)OCC)c2c3c(sc2n1)CCCC3 1929745 KABLNWQZILYXEH-UHFFFAOYSA-N 426.585 3.881 0 40 IHAB COc1ccc(/C=C/C(=O)OCC(=O)c2cc(C)n(C[C@H]3CCCO3)c2C)c(OC)c1 3283121 PCZYRHNLPWIPAY-CSNYQSHPSA-N 427.497 3.740 0 40 IHAB CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 6088661 NAAXUAVLJVVTJO-HXUWFJFHSA-N 440.525 3.690 0 40 IHAB COc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccn2)cc(OC)c1OC 8590362 KWEUXHLMIDDVKR-OAQYLSRUSA-N 444.443 3.964 0 40 IHAB C[C@H](Sc1nccn1-c1ccc(Br)cc1)C(=O)Nc1ccc(C(N)=O)cc1 8746493 ZWGGDJUESIITRL-LBPRGKRZSA-N 445.342 3.853 0 40 IHAB O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(Br)c(Br)[nH]1 8762102 GFIFVSYOSVMMOA-UHFFFAOYSA-N 441.167 3.934 0 40 IHAB C[C@@H](Sc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)C(=O)N1CCc2ccccc21 8901485 MWLSPXSVVXFGLY-SJLPKXTDSA-N 435.549 3.645 0 40 IHAB O=C(Nc1nc2c(s1)CC[C@H]2C(=O)N1CCc2ccccc2C1)c1ccc2c(c1)OCO2 9132415 PGBIOOIEJCFNHH-QGZVFWFLSA-N 447.516 3.739 0 40 IHAB COc1ccc(C(=O)CSc2nnc(CNC(=O)c3ccco3)n2-c2ccccc2)cc1 9265041 RWFKDNWIXDOCFB-UHFFFAOYSA-N 448.504 3.774 0 40 IHAB COc1cc(-c2noc(-c3nnn(-c4ccccc4Cl)c3C)n2)cc(OC)c1OC 9300478 BSZDVTXWVQZZLX-UHFFFAOYSA-N 427.848 3.972 0 40 IHAB COc1cc2c(cc1OC)CN(C(=O)Nc1ccccc1C(=O)NCc1cccnc1)CC2 9341344 WOZXELKGVJRROA-UHFFFAOYSA-N 446.507 3.619 0 40 IHAB biogenic COc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)n3nc(N4C(=O)CCC4=O)nc3N2)cc1 9346084 NEBCPIVVGSGCRP-ROUUACIJSA-N 437.887 3.740 0 40 IHAB O=C(COc1ccccc1)Nc1nnc(SCC(=O)N2CCCc3ccccc32)s1 9366225 RLNFZQPRVLNCKT-UHFFFAOYSA-N 440.550 3.627 0 40 IHAB CCCCN1C(SCC(=O)NCc2ccc(C)cc2)=NS(=O)(=O)c2ccccc21 9530319 MFGJIPIGKDXHCA-UHFFFAOYSA-N 431.583 3.709 0 40 IHAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN1c2ccccc2C[C@@H]1C 9635524 VGDVGOZAAGYKNH-SFHVURJKSA-N 439.556 3.710 0 40 IHAB Cc1cc(=O)c(C(=O)NCc2ccccc2CN2CCCC2)nn1-c1ccccc1Cl 9765163 PIQFJISGLIWNPH-UHFFFAOYSA-N 436.943 3.720 0 40 IHAB COc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)cc1S(=O)(=O)N(C)C 9765669 YRFKHSGYRKYSEO-QHCPKHFHSA-N 438.549 3.773 0 40 IHAB CC[C@H](C)NC(=O)CCc1nnc2n(Cc3ccc(Cl)cc3)c(=O)c3ccccc3n12 9831478 PYNVGFCFDOZDAC-HNNXBMFYSA-N 437.931 3.593 0 40 IHAB C[C@@H](Sc1nccn1Cc1ccccc1)C(=O)Nc1sc2c(c1C(N)=O)CCC2 9863604 MENNXIWCZKXHIR-CYBMUJFWSA-N 426.567 3.700 0 40 IHAB Cc1c(C(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)oc2c(F)cccc12 9987520 AKJFZHNZEZCCJS-XNTDXEJSSA-N 428.485 3.639 0 40 IHAB CCCn1cc(C(=O)NCCc2ccccc2OC)c2nn(-c3ccccc3)c(=O)c-2c1 10062649 GSCZLYRISUNELS-UHFFFAOYSA-N 430.508 3.530 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)/C=C/c3ccc(Cl)cc3Cl)CC2)cc1 10287510 ONLXMOPBVZNUMC-WEVVVXLNSA-N 439.364 3.848 0 40 IHAB Cc1ccc(-n2c(=O)c3oc4ccccc4c3n(CC(=O)Nc3ccccc3F)c2=O)cc1 12140742 SHGLYYWTQRODPM-UHFFFAOYSA-N 443.434 3.985 0 40 IHAB CC[C@H](Oc1cccc(OC)c1)C(=O)N1CCC(c2nc3ccccc3cc2C(N)=O)CC1 12241520 MDFCXQYPYQPVAQ-QHCPKHFHSA-N 447.535 3.906 0 40 IHAB COc1ccc(C(=O)NCC(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)cc1OC 12660168 AGEVUKUKWWOHDN-UHFFFAOYSA-N 439.508 3.907 0 40 IHAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCN(C(C)C)C(C)C)ccc2C)cc1 12760946 BUNUCCFBNFCCBV-UHFFFAOYSA-N 431.602 3.953 0 40 IHAB CC[C@H]1CCCCN1C(=O)COc1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 12901577 LHSIYTHDRIUQAL-IBGZPJMESA-N 430.570 3.990 0 40 IHAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)CCc1c(C)nc2c3ccccc3nn2c1C 12908225 WJGWFEHJXWNOIH-UHFFFAOYSA-N 436.537 3.783 0 40 IHAB Cc1cc(Br)ccc1NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 12926357 OOENDFCEKSUTBR-ZDUSSCGKSA-N 431.286 3.520 0 40 IHAB CC1CCN(Cc2ccc(CNC(=O)Cc3csc(NC(=O)C4CC4)n3)cc2)CC1 13012401 WJXCVQQIIDEOFZ-UHFFFAOYSA-N 426.586 3.582 0 40 IHAB Cc1ccc2[nH]c(=O)c(CN(CCO)[C@@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 13500522 NVTKWFVMWKBGGU-JOCHJYFZSA-N 438.576 3.520 0 40 IHAB Cc1c(Cl)cccc1NC(=O)CSC(=S)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 13572331 JAKZODKKELKSIE-LSDHHAIUSA-N 448.013 3.886 0 40 IHAB Cn1c(CCCNC(=O)c2ccc(Cl)nc2)nc2cc(NC(=O)c3ccco3)ccc21 13725393 NYZZCUWITHHDDM-UHFFFAOYSA-N 437.887 3.830 0 40 IHAB COc1ccc(CCC(=O)Nc2nnc([C@H]3CC(=O)N(c4ccccc4C)C3)s2)cc1 13942584 BHDWNDSXESJHLF-KRWDZBQOSA-N 436.537 3.947 0 40 IHAB COc1ccc(Cl)cc1NC(=O)CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 14328161 SLTKKFHMJAUVQB-UHFFFAOYSA-N 444.915 3.653 0 40 IHAB COC(=O)c1ccc(NCC(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)cc1 15086648 BNERDVBYKRBQRC-UHFFFAOYSA-N 431.492 3.762 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)cc2)c1 15541292 AZUSFNYXCUKOIG-UHFFFAOYSA-N 436.493 3.526 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2ccc(Cl)cc2Cl)ccc1OC 15617742 PZSLPUIIAZIQER-UHFFFAOYSA-N 445.368 3.963 0 40 IHAB O=C(c1sccc1-c1ccccc1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 15763639 AFVGZAVNOJOIFS-UHFFFAOYSA-N 430.526 3.701 0 40 IHAB Cc1ccc(N(C(=O)c2csnn2)[C@H](C(=O)NCc2ccccc2)c2ccccn2)cc1 15935478 BUPWBCNNAHWKOY-QFIPXVFZSA-N 443.532 3.946 0 40 IHAB O=S(=O)(N[C@H](CCSc1nnnn1C1CC1)c1ccccc1)c1ccc(Cl)cc1 16375721 XUQMOESRZRPWPY-GOSISDBHSA-N 449.989 3.863 0 40 IHAB Cc1nn(-c2ccc(C(=O)NCc3ccccc3CN3CCOCC3)cc2)c(C)c1Cl 18214020 LJMVFSNZQGEDFV-UHFFFAOYSA-N 438.959 3.905 0 40 IHAB CC(=O)N1CCc2c(nc([C@H]3CCCN(Cc4ccc(F)cc4)C3)nc2-c2ccncc2)C1 19019165 MZLCUPGLGZXOMN-NRFANRHFSA-N 445.542 3.962 0 40 IHAB CCNC(=O)[C@@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)[C@H](C)n2ccnc2)C1 19528780 NNUAPUPGLBJBQZ-MHECFPHRSA-N 436.581 3.770 0 40 IHAB COc1ccc(CN2CCN(C)C(=O)[C@@H](Cc3ccccc3-c3cccnc3)C2)cc1OC 19589633 FOPDYUBTCBCPFA-QHCPKHFHSA-N 445.563 3.899 0 40 IHAB CN(C)C(=O)c1sc2ccccc2c1[C@@H]1CN(C(=O)COc2ccccc2F)CCO1 19696795 MRJZPIVZTLKNES-SFHVURJKSA-N 442.512 3.721 0 40 IHAB Cc1cccc(C2(C(=O)N3CCC(c4nc(C)c5c(n4)N(C)CCC5)CC3)CCOCC2)c1 19705727 WYPFBVJCLWEWDH-UHFFFAOYSA-N 448.611 3.930 0 40 IHAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1 20019666 MCTYACTUXWIYJZ-GFCCVEGCSA-N 448.438 3.939 0 40 IHAB CSc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2C)cc1 20021761 JYQILWOZEJDIOC-INIZCTEOSA-N 436.599 3.660 0 40 IHAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 20040555 QDARJAXBMONRFW-QHCPKHFHSA-N 438.549 3.837 0 40 IHAB Cc1cc(SCC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)nc2ccccc12 20056333 MRBVLPFDPDJSOM-MRXNPFEDSA-N 446.619 3.913 0 40 IHAB Cc1ccc(C(=O)NCc2ccccc2-n2ccnc2)cc1NS(=O)(=O)c1ccccc1 20108486 BGBSLZMHSZQSKH-UHFFFAOYSA-N 446.532 3.912 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@H](C)SC2=NC(=O)C[C@@H](c3ccccc3)N2)cc1 20168849 QAEALQDTQHUJFN-KSSFIOAISA-N 425.510 3.541 0 40 IHAB COc1ccccc1CN(C)C(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1C 20488270 MZZVUWDFCALTLQ-UHFFFAOYSA-N 430.570 3.696 0 40 IHAB COc1ccc(OC)c2sc(N(CCN3CCOCC3)C(=O)C3CCCCC3)nc12 20743833 ZAIUKBICESRVNU-UHFFFAOYSA-N 433.574 3.559 0 40 IHAB COc1ccc([C@H](C)NC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1OC 22525926 POMGBSFZYZGPKY-INIZCTEOSA-N 448.585 3.645 0 40 IHAB C[C@@]1(c2ccco2)NC(=O)N(CC(=O)N2c3ccccc3SC[C@@H]2c2ccccc2)C1=O 23043388 HIGPDGQVASAZHU-KOSHJBKYSA-N 447.516 3.927 0 40 IHAB CCCn1c(SCCOc2ccc(OCC)cc2)nc2cc(S(N)(=O)=O)ccc21 23044113 MKMPQZLWALCIHI-UHFFFAOYSA-N 435.571 3.664 0 40 IHAB CCCNC(=O)Cn1nc2c(c1NC(=O)c1c(OCC)ccc3ccccc13)CSC2 23138849 QEAYZLNPBJPECB-UHFFFAOYSA-N 438.553 3.960 0 40 IHAB COc1cc(NC(=O)c2cnn(-c3ccccn3)c2C(F)(F)F)ccc1N1CCCC1=O 24575684 CPRMJQUBFAXLAZ-UHFFFAOYSA-N 445.401 3.674 0 40 IHAB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)CN1CCC2(CC1)OCCO2 24829846 OQUJBYGTNAZOOL-UHFFFAOYSA-N 444.553 3.678 0 40 IHAB COC(=O)c1n[nH]c2ccc(NC(=O)CCc3ccc(OC)c(Br)c3)cc12 25083237 NOMUXYZFLWGNOK-UHFFFAOYSA-N 432.274 3.692 0 40 IHAB CC(=O)Nc1cccc(NC(=O)[C@@H](C)N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1C 25600886 JEVDGRMKMPROTQ-SNVBAGLBSA-N 434.279 3.883 0 40 IHAB CCn1c2ccccc2c2cc(NC(=O)Cc3csc(NS(C)(=O)=O)n3)ccc21 29974960 KENGMQURZRSBOA-UHFFFAOYSA-N 428.539 3.824 0 40 IHAB CCSc1ccccc1NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 30751805 HEYJFICUYBRQOH-MRXNPFEDSA-N 426.947 3.618 0 40 IHAB Nn1c(SCc2cc(=O)n3c(n2)sc2ccccc23)nnc1-c1ccc(Cl)cc1 32636409 IGSQEQYYOGVGTK-UHFFFAOYSA-N 440.941 3.827 0 40 IHAB CCc1c(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cnn1-c1ccccc1 32786805 QUQZCNWRWWYFAZ-UHFFFAOYSA-N 438.553 3.862 0 40 IHAB Cc1onc(-c2ccccc2)c1-c1nnc(COC(=O)[C@@H](C)n2c(=O)oc3ccccc32)o1 32889970 XCGYVWIQYISTFL-CYBMUJFWSA-N 446.419 3.912 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(OCC(F)(F)F)cc2)s1 32909630 AUANKPDQOMTSDM-HNNXBMFYSA-N 448.488 3.789 0 40 IHAB CCCNC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc(C)ccc1OC 35104084 JUVPTIUJIZPBRN-UHFFFAOYSA-N 444.475 3.744 0 40 IHAB COc1ccc(-n2nc(-c3nc(-c4ccc5c(c4)OCO5)no3)c3ccccc3c2=O)cc1 38486931 FXHJNVPBDFZKSL-UHFFFAOYSA-N 440.415 3.840 0 40 IHAB COc1ccc(Cl)cc1NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1 38849428 XYVBPZAUFDJJQM-KRWDZBQOSA-N 445.324 3.558 0 40 IHAB O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1nc2ccccc2nc1N1CCCC1 40025150 YZEDHDZFPRQPNU-UHFFFAOYSA-N 432.459 3.990 0 40 IHAB COc1cc([C@H]2OC[C@@H]3[C@H]2CO[C@H]3c2ccc(OC(C)=O)c(OC)c2)ccc1OC(C)=O 40163538 KABPASQHFAUTDF-IMWWXNSKSA-N 442.464 3.630 0 40 IHAB biogenic Cc1ccc(C)c(-n2c(=O)c3ccccc3n(Cc3nc(-c4cccs4)no3)c2=O)c1 44166655 KUAQJUPBKAWPHF-UHFFFAOYSA-N 430.489 3.929 0 40 IHAB COc1cc(OC)cc(C(=O)N2CCC(C(=O)NCC3(c4ccc(F)cc4)CC3)CC2)c1 48286041 RFCIAUCJIVMSFJ-UHFFFAOYSA-N 440.515 3.543 0 40 IHAB Cc1nc(-c2ccc(F)cc2)n(CC(=O)Nc2cccc(C(F)(F)F)c2)c(=O)c1CCO 67300814 UQIPCVAARVBHBS-UHFFFAOYSA-N 449.404 3.550 0 40 IHAB Cc1noc(C)c1S(=O)(=O)N1CCC2(CC1)C[C@@H]2c1nc(-c2cccc(Cl)c2)no1 69652381 NOSOXBLGCFJNIM-MRXNPFEDSA-N 448.932 3.953 0 40 IHAB C[C@@H]1CCCN(c2nc(O)c3c(n2)CN(Cc2cccn2Cc2ccccc2F)CC3)C1 72335626 IDHLNNQZULZDRQ-GOSISDBHSA-N 435.547 3.966 0 40 IHAB CCOc1cc2c(cc1/C=C/C(=O)Nc1ccc3ccn(CC(=O)NC)c3c1)O[C@@H](C)C2 84805185 GDRAINAUOOONGS-BVBGJJFLSA-N 433.508 3.761 0 40 IHAB COc1ccccc1S(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1 95950202 NNIZZYYQAAKPEC-UHFFFAOYSA-N 446.550 3.914 0 40 IHAB Cc1ccc(O)c(C(=O)Nc2nc(CC(=O)N(C)CCc3ccc(F)cc3)cs2)c1 96004312 YJNCPQWKASJCHM-UHFFFAOYSA-N 427.501 3.792 0 40 IHAB CC(=O)c1cccc(NC(=O)Cn2cccc2-c2nc(-c3ccc4c(c3)OCO4)no2)c1 98211409 VULCIYCXICBXLC-UHFFFAOYSA-N 430.420 3.775 0 40 IHAB CC(C)N1CCC(c2cc(O)n3nc([C@@H]4CCCN4C(=O)Cc4ccccc4)cc3n2)CC1 100213087 ULOYISORFDLKIW-QHCPKHFHSA-N 447.583 3.929 0 40 IHAB CC(C)C(=O)N1CCCC[C@H]1c1cc2nc3c(c(O)n2n1)CN(Cc1ccsc1)CC3 100233828 SDQCUUQFMSTEOY-FQEVSTJZSA-N 439.585 3.764 0 40 IHAB Cc1cc(C)cc(OC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1 102077373 GFUCHNKWMANOHB-RJQIIPCNSA-N 441.527 3.873 0 40 IHAB Cc1ccc(-c2nnc(SCC(=O)N[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)n2CCC(=O)O)cc1 104024955 RESAWRCJTNQCED-KCITZHQASA-N 442.585 3.761 0 40 IHAB C[C@H](NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)[C@H]1C[C@H]2CC[C@H]1C2 108933303 BEIZABVBAPSJGG-NWZZKEMCSA-N 434.583 3.590 0 40 IHAB CCOC(=O)c1cc(NC(=O)CCCN(c2ccccc2)S(C)(=O)=O)ccc1Cl 219173585 ZJFMDWDBGYZPEC-UHFFFAOYSA-N 438.933 3.702 0 40 IHAB COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)N[C@@H](C)c1ccc(C)cc1C)=C2C 219193569 DSVORTJYZLFWIO-INIZCTEOSA-N 444.553 3.709 0 40 IHAB Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(CS(=O)(=O)N3CCCC3)cc1)CC(C)(C)O2 219967104 WEXNVTHYTYORJI-OAQYLSRUSA-N 442.581 3.953 0 40 IHAB CCc1ccc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)cc1 223161945 FKNQRRKHJKRNQA-QGZVFWFLSA-N 432.561 3.807 0 40 IHAB CCCCOCc1cc(C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)ccc1OC 224443373 CZJWBBVZFJMBJL-UHFFFAOYSA-N 429.469 3.837 0 40 IHAB CCOc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1COC(C)C 224720403 KEFQSJMVCILDBD-UHFFFAOYSA-N 440.540 3.697 0 40 IHAB COc1ccc(Br)cc1S(=O)(=O)N[C@@H](C)COc1ccc(C)c(C)c1 224849829 BNGCXYCEKAFGIS-AWEZNQCLSA-N 428.348 3.820 0 40 IHAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1cccc(Br)c1 225374551 JSWGWUCGXMIECD-QGZVFWFLSA-N 441.347 3.641 0 40 IHAB Cc1ccc2c(c1)[C@@H](NS(=O)(=O)c1ccc3c(c1)CCN3C(=O)C1CC1)CC(C)(C)O2 225706111 IVBMHHFINCFPBA-FQEVSTJZSA-N 440.565 3.875 0 40 IHAB COc1ccc(OC)c([C@H](C)NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)c1 225817582 OUEHSPCQUGADSL-KRWDZBQOSA-N 446.569 3.760 0 40 IHAB C[C@@H]1CC[C@@H]2N(C[C@@H]3[C@H](CC[C@H]4[C@@H]5CC(=O)[C@H]6C[C@H](O)CC[C@]6(C)[C@H]5C[C@H]43)[C@]2(C)O)C1 252460862 IQDIERHFZVCNRZ-VVNNJNTLSA-N 429.645 3.886 0 40 IHAB biogenic CN(C)C(=O)C1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)c2cnccn2)CC1 257219112 DFPQTNPFUARMLR-UHFFFAOYSA-N 434.565 3.758 0 40 IHAB CC(C)(NC(=O)COc1ccccc1)C(=O)N1CC[C@@H](Cc2cccc3ncccc23)C1 257285873 PJGZQUAXXXCVSI-IBGZPJMESA-N 431.536 3.600 0 40 IHAB CC(C)(NC(=O)COc1ccccc1)C(=O)N1CC[C@H](Cc2cccc3ncccc23)C1 257285874 PJGZQUAXXXCVSI-LJQANCHMSA-N 431.536 3.600 0 40 IHAB COc1ccc2c(c1)CCN(C(=O)[C@@H]1C[C@H]3CC[C@@]1(C)C[C@]31NC(=O)c3ccccc3N1)C2 257288994 PWOBWHXWAHNHDG-YUYPZSSESA-N 445.563 3.958 0 40 IHAB Cc1ccn2c(CN3CCO[C@@H](c4cc(CCOc5ccccc5)n(C)n4)C3)c(C)nc2c1 257316298 VEZDQQQOKFXLDU-RUZDIDTESA-N 445.567 3.880 0 40 IHAB Cc1ccccc1NC(=O)CCC(=O)OCC(=O)Nc1ccc(Br)cc1C 408660603 BDXNTLHCGSMSHL-UHFFFAOYSA-N 433.302 3.967 0 40 IHAB COc1ccc(C)cc1NC(=O)c1ccc(OC)c(S(=O)(=O)NCc2ccccc2)c1 408675571 IYEFIFGUVWZFDF-UHFFFAOYSA-N 440.521 3.743 0 40 IHAB CC(=O)c1ccc(NC(=O)c2ccc(N3C(=O)c4nc5ccccc5nc4C3=O)cc2)cc1 408973498 BEDKNQQUEKXZRY-UHFFFAOYSA-N 436.427 3.885 0 40 IHAB Cc1ccc(NC(=O)Cn2nc(CNC(=O)c3ccccc3C)n(C)c2=S)cc1Cl 409158902 LZFUEJYLEFFKKX-UHFFFAOYSA-N 443.960 3.790 0 40 IHAB C[C@]12C[C@@H](c3ccccc3)N(CC(=O)NCCc3nc4ccccc4[nH]3)[C@H]1CCCCCN2 585261485 IWMDFIFHNFHCHU-DPZBCOQUSA-N 445.611 3.960 0 40 IHAB CCOC(=O)c1c(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)sc2c1CCC2 846901 HZRUGUONSUHFII-UHFFFAOYSA-N 427.478 3.846 0 40 IHAB biogenic COC(=O)c1ccccc1NC(=O)c1nc(-c2ccccc2)n(-c2ccc(OC)cc2)n1 983963 TXEXWMGPKATPIT-UHFFFAOYSA-N 428.448 3.982 0 40 IHAB COCCn1c(SCc2cc(=O)n3cc(Br)ccc3n2)nc2ccccc21 2625297 DZEXAKSAPKHZEW-UHFFFAOYSA-N 445.342 3.745 0 40 IHAB COc1ccc(Cl)cc1NC(=O)CSc1nc2c([nH]c3ccccc32)c(=O)n1C 2720606 ICTKCAJEWGKYTN-UHFFFAOYSA-N 428.901 3.808 0 40 IHAB COc1ccc(S(=O)(=O)Oc2ccc(/C=C3/SC(=S)N=C3O)cc2OC)cc1 2777398 UDNZZVOMNOFAML-MHWRWJLKSA-N 437.520 3.801 0 40 IHAB COc1cccc(/C=C(/C(=O)OCC(=O)Nc2sccc2C(N)=O)c2ccccc2)c1 3448174 BYHPKZMJNHPHPL-CPNJWEJPSA-N 436.489 3.578 0 40 IHAB COc1ccccc1NC(=S)N(CCCO)Cc1cc2c(C)cc(C)cc2[nH]c1=O 4127437 OYOQFUQZQNIMTD-UHFFFAOYSA-N 425.554 3.735 0 40 IHAB Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)Nc1cccc(Cl)c1 6577408 RQMTZHAJGAHNSV-UHFFFAOYSA-N 445.957 3.624 0 40 IHAB O=C(c1ccc(Br)cc1)N(C/C=C/c1ccccc1)[C@@H]1CCS(=O)(=O)C1 8917412 UIQQJKCBRKHTIM-ZLHKHBAESA-N 434.355 3.792 0 40 IHAB Cc1ccc(-c2csc(SCC(=O)N3CCN(C(=O)c4ccco4)CC3)n2)cc1 8935971 HNTBMWYRYHQQBH-UHFFFAOYSA-N 427.551 3.788 0 40 IHAB O=C(O)c1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2ON1c1ccccc1 9232400 QWLMNNQHHRXDKQ-NJDAHSKKSA-N 432.407 3.575 0 40 IHAB Cc1onc(-c2ccccc2)c1C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 9428794 WQKDWOHRZCCEEM-UHFFFAOYSA-N 433.464 3.870 0 40 IHAB Cc1ccc(S(=O)(=O)NCCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1C 9453787 INPITBQTRGNPKE-LJQANCHMSA-N 443.594 3.945 0 40 IHAB CCn1c(SCc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)nnc1-c1cccs1 9465270 KGJQVTOAZKGZRC-UHFFFAOYSA-N 429.527 3.573 0 40 IHAB Cc1ccccc1-n1ncc2c(O)nc(SCC(=O)NCc3ccccc3Cl)nc21 9522340 RAMOCOMGNPAJNI-UHFFFAOYSA-N 439.928 3.891 0 40 IHAB O=C(NC1CCCCCC1)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1 9632197 CVSAEJIWYCFFJF-UHFFFAOYSA-N 441.597 3.650 0 40 IHAB O=c1c2ncccc2n(Cc2cccc(C(F)(F)F)c2)c(=O)n1CCc1ccccc1 9660737 OMJASWINPIQBMC-UHFFFAOYSA-N 425.410 3.868 0 40 IHAB Cc1cc(N2CCN(C(=O)c3cc(C4CC4)nn3-c3ccccc3)CC2)nc(C(C)C)n1 9666154 TYIFOJXOFKGDED-UHFFFAOYSA-N 430.556 3.934 0 40 IHAB CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@@H](c2cccs2)N2CCc3ccccc32)c1 9708343 HQUWUKIAQZTJSC-NRFANRHFSA-N 448.548 3.565 0 40 IHAB Cc1ccc(S(=O)(=O)[C@@H](CNS(=O)(=O)c2ccc(Cl)cc2)c2ccco2)cc1 9740505 AESQSBIBEIKFDP-IBGZPJMESA-N 439.942 3.735 0 40 IHAB COc1cc(NS(=O)(=O)c2ccc(F)cc2)c(OC)cc1NC(=O)c1ccccc1 9805567 NWKCFPBYTQTQGX-UHFFFAOYSA-N 430.457 3.896 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4nc(C)sc4c3)CC2)cc1 10337636 MMXZWHNCXPGWCO-UHFFFAOYSA-N 445.566 3.653 0 40 IHAB O=C(CNc1ccc(NC(=O)C2CC2)cc1)Nc1ccc(I)cc1 10941677 RDENHDXHZFIZKG-UHFFFAOYSA-N 435.265 3.690 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc2c(c1)C(=O)c1ccccc1-2 11642826 POJPMNJPIUYUKV-UHFFFAOYSA-N 432.501 3.935 0 40 IHAB CC1(C)CC(=O)c2cc(C(=O)Nc3cccc(N)n3)c(=O)n(-c3cccc(Cl)c3)c2C1 12402463 ACXDWQLRUTUSRE-UHFFFAOYSA-N 436.899 3.876 0 40 IHAB NS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2Cl)c1 12507968 BIBAXYRIRAVOQJ-UHFFFAOYSA-N 438.914 3.581 0 40 IHAB COc1ccc(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)cc1S(=O)(=O)N(C)C 12620185 AFUAMJIQEJMENQ-HNNXBMFYSA-N 440.974 3.566 0 40 IHAB C[C@H]1C(=O)N(Cc2nc3ccccc3c(=O)n2Cc2ccco2)C(=O)N1c1ccc(F)cc1 12760365 AVVNECKOZDXPRV-HNNXBMFYSA-N 446.438 3.534 0 40 IHAB COc1ccc(N2C[C@@H](C(=O)Nc3nc4ccc(Cl)cc4s3)CC2=O)c(OC)c1 12820833 YCPGBLNRLGVYOM-NSHDSACASA-N 431.901 3.959 0 40 IHAB COC(=O)[C@@H](C)NC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12 12892334 AAPPTVQRFKMVTR-CYBMUJFWSA-N 442.899 3.520 0 40 IHAB Cc1csc(S[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)n1 13005757 RDDROXGIFIUAID-AWEZNQCLSA-N 425.601 3.745 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN[C@@H](C)c1cccc(F)c1 13075558 XOQZNRAZYVSIBV-KRWDZBQOSA-N 433.549 3.598 0 40 IHAB COc1ccc(C)cc1-n1nnnc1SCC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 13114445 ZUOCAPRNRJSYGQ-MRXNPFEDSA-N 437.569 3.828 0 40 IHAB COc1ccccc1N1C(=O)[C@H]2C(C(=O)c3ccccc3)=NN(c3ccc(C)cc3)[C@H]2C1=O 13136360 GMEACKGFWFQHFV-JTHBVZDNSA-N 439.471 3.621 0 40 IHAB COC(=O)c1cc(OC(=O)c2cc(Br)ccc2Cl)cc(C(=O)OC)c1 13148952 COXGESNFSDHIBV-UHFFFAOYSA-N 427.634 3.895 0 40 IHAB COc1ccccc1N1CCN([C@H](c2ccccc2)c2nnnn2Cc2ccccc2)CC1 13504585 OPDVMDPZGBWAKR-RUZDIDTESA-N 440.551 3.642 0 40 IHAB COc1cc([C@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccc(C)cc2)n3C)ccc1O 13567480 FZAODPDNOGLUDF-MRXNPFEDSA-N 437.521 3.569 0 40 IHAB CCOc1ccc(C(=O)CSC(=S)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1 13572383 OKQQEBYUKICPHT-WBVHZDCISA-N 428.579 3.567 0 40 IHAB O=C(c1ccccc1S[C@@H]1CCS(=O)(=O)C1)N1CCc2[nH]c3ccccc3c2C1 14245301 SZIWOJIBXJIHEI-OAHLLOKOSA-N 426.563 3.646 0 40 IHAB Cc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)N2CCN(c3ccc(F)cc3)CC2)cc1 17050925 BCDMADCWWTUJTB-QFIPXVFZSA-N 443.544 3.569 0 40 IHAB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NCCc1c[nH]c2ccccc12 17294704 GIAUBGNBHLTWMV-UHFFFAOYSA-N 447.560 3.718 0 40 IHAB COc1ccc(C)cc1CC(=O)N1CCC[C@H](c2cc(N(C)C)nc(-c3ccncc3)n2)C1 19133009 PLPLGUOUHCNFQG-FQEVSTJZSA-N 445.567 3.870 0 40 IHAB O=C(NCc1ccncc1)c1cc([C@@H]2CCCN(Cc3ccc4ncccc4c3)C2)no1 19347031 NNYPNCUSZZBVMX-OAQYLSRUSA-N 427.508 3.927 0 40 IHAB COc1cccc([C@@H]2CN(C(=O)c3ccc4ncccc4c3)C[C@]23CCCCC(=O)N3)c1 19566116 AXKIASRXUJESFO-BKMJKUGQSA-N 429.520 3.912 0 40 IHAB CN(C)c1ncc(-c2ccccc2F)c(C2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)n1 19695128 NTCARQONVVPDLL-UHFFFAOYSA-N 434.519 3.580 0 40 IHAB COc1ccc(NC(=O)c2cnc(C)nc2CC2CCN(Cc3ccncc3)CC2)cc1 19759149 PKQGCDYHHHXORN-UHFFFAOYSA-N 431.540 3.896 0 40 IHAB CCCSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1cc(OC)c(OC)c(OC)c1)C3 19816700 QXVBSPPCZFWQKL-GFCCVEGCSA-N 428.514 3.565 0 40 IHAB CCNC(=O)c1cc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)ccc1OC 20108181 PAYSYCCPLZBUNA-QHCPKHFHSA-N 438.549 3.821 0 40 IHAB O=S(=O)(c1cccc(Br)c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 21316669 XBWKGISLIYFOPA-UHFFFAOYSA-N 449.292 3.979 0 40 IHAB CCOc1ccc(NC(=O)c2cc(-c3ccccc3)on2)cc1S(=O)(=O)N1CCCC1 21840428 MZIHJEULMNBNKF-UHFFFAOYSA-N 441.509 3.777 0 40 IHAB CCC(C)(C)n1nnnc1[C@H](c1ccc(OC)cc1)N1CCN(Cc2ccccc2)CC1 22928779 FZZXFAMQQUAKCW-QHCPKHFHSA-N 434.588 3.734 0 40 IHAB CC(C)C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O)c1ccccc1 23290702 RTTYAGJXRBDKLW-ATIYNZHBSA-N 433.552 3.846 0 40 IHAB COC(=O)c1cccc(S(=O)(=O)NCc2ccccc2-c2ccc(CN(C)C)cc2)c1 24445609 ZDOFXAZJTHMWHJ-UHFFFAOYSA-N 438.549 3.680 0 40 IHAB C[C@H](NC(=O)CN1CCC(Cc2ccccc2)CC1)[C@@H](c1ccccc1)N1CCOCC1 24572650 QWEPIRRBZOQCGP-CUNXSJBXSA-N 435.612 3.519 0 40 IHAB NC(=O)CCc1nnc(SCc2coc(-c3cccc(Cl)c3)n2)n1Cc1ccco1 26122379 LUAAYPYFZOYVIV-UHFFFAOYSA-N 443.916 3.938 0 40 IHAB CC(C)c1cccc(NC(=O)CCNS(=O)(=O)c2ccccc2Br)c1 26747014 BMTQMOGUWCUVRB-UHFFFAOYSA-N 425.348 3.880 0 40 IHAB C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)c2ccccc2CCc2ccccc2)CC1 29363003 NLQMIVXPSRNTKA-JOCHJYFZSA-N 433.596 3.631 0 40 IHAB O=C(Cc1cc(Cl)cc2c1OCOC2)NCc1ccc(NC(=O)c2ccco2)cc1 29783238 QKHOGLNLMSYTFI-UHFFFAOYSA-N 426.856 3.911 0 40 IHAB Cc1ccccc1-n1c(SCc2noc(-c3cccs3)n2)nnc1N1CCOCC1 30510999 SVCBLRRLLCELLL-UHFFFAOYSA-N 440.554 3.816 0 40 IHAB CN(Cc1nc2ccccc2n1C(F)F)C(=O)Cn1cnc2c(oc3ccccc32)c1=O 32753513 FJVMMTWOPTWQGN-UHFFFAOYSA-N 437.406 3.546 0 40 IHAB COc1ccc(C)cc1NC(=O)[C@@H](C)Sc1nc(O)c2cnn(-c3ccccc3)c2n1 32774460 TVUXMSXQCVXLNX-CQSZACIVSA-N 435.509 3.957 0 40 IHAB COc1ccc(NC(=O)CCCc2nc(-c3cc4cc(C)ccc4[nH]c3=O)no2)c(OC)c1 33013788 DJBHXJNUSRCXGQ-UHFFFAOYSA-N 448.479 3.865 0 40 IHAB O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl)Nc1ccc(Cl)cc1 33653949 PARLXIYKDCUNHH-UHFFFAOYSA-N 429.325 3.795 0 40 IHAB CCOC(=O)C1=C(CSCc2ccco2)NC(=O)N[C@H]1c1ccc(OC)c(COC)c1 36611313 RYVMJGDPBJNLOE-FQEVSTJZSA-N 446.525 3.539 0 40 IHAB Cc1c(C(=O)OCC(=O)c2ccc(CNC(=O)C(C)(C)C)s2)cnn1-c1ccccc1 40017817 NCDBRVGVEKVMRC-UHFFFAOYSA-N 439.537 3.944 0 40 IHAB Cc1cccc(NC(=O)CN2CCN(C(=O)[C@H]3CCC[C@H](C(F)(F)F)C3)CC2)c1C 48324524 RWAACPYSNAAWFZ-ROUUACIJSA-N 425.495 3.755 0 40 IHAB CCc1nnc2sc(-c3cccc(NC(=O)c4cc(OC)c(OC)c(OC)c4)c3)nn12 57316943 OTPLHLPBYGGZDN-UHFFFAOYSA-N 439.497 3.693 0 40 IHAB COc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)cc2)c(OC)c1 57317155 OYJBOWUNGWQLKO-UHFFFAOYSA-N 425.529 3.651 0 40 IHAB CC[C@H](C)n1c(SCC(=O)Nc2cccc(NC(C)=O)c2)nc2cc(C)[nH]c2c1=O 67239172 AUIVEMIFDFMOLF-ZDUSSCGKSA-N 427.530 3.693 0 40 IHAB COc1cccc(CN2CCC[C@@H](c3cc(C(=O)NC4Cc5ccccc5C4)on3)C2)c1 72352773 XPGQKUDOMPLSGW-OAQYLSRUSA-N 431.536 3.960 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)[C@H]2OCCc3ccccc32)c1 95432518 PDAKVYHVKOOAJL-QFIPXVFZSA-N 446.569 3.757 0 40 IHAB O=C(CCCSc1ccccc1)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O 96544288 SOMDMIMSBJTCBS-NBVRZTHBSA-N 427.551 3.807 0 40 IHAB CC(C)C[C@H](C(=O)OCC(=O)Nc1cccc2ccccc12)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 102586675 CYXIWMMECLFHTN-RZUBCFFCSA-N 448.519 3.687 0 40 IHAB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1 108235974 VIJQQOPCCUGLFB-OQLLNIDSSA-N 440.795 3.553 0 40 IHAB OC[C@@H](O)CN1CCC(c2ccnc(Nc3ncc(-c4ccc(F)cc4)s3)c2)CC1 205617355 UAGKRYLHEPCETF-IBGZPJMESA-N 428.533 3.620 0 40 IHAB CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccc(OC)cc1 223024297 GCBMRVATUYJIPY-HNNXBMFYSA-N 433.346 3.554 0 40 IHAB C[C@@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)c1ccc2c(c1)CCC2 223230754 XCWLZHHMUITVDH-VFNWGFHPSA-N 432.973 3.859 0 40 IHAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)N[C@H](C)c3cc(C)ccc3C)s2)c1 224761866 WPCFAVHJHUGLJY-OAHLLOKOSA-N 430.555 3.755 0 40 IHAB CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)s1 224843305 ATEDIFCOEYHCEK-UHFFFAOYSA-N 446.554 3.903 0 40 IHAB CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCc1ccc(OC)c(OC)c1 225065718 GDYBDHHWLJMRSP-LJQANCHMSA-N 426.557 3.622 0 40 IHAB CC(C)CSc1nnc(NC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)s1 225070297 LIFLKAHFVOGDHZ-LLVKDONJSA-N 449.023 3.733 0 40 IHAB CN(c1cccc(NC(=S)NCCSc2ccc(Cl)cc2)c1)S(C)(=O)=O 225288083 DPCPOGCDVGOENJ-UHFFFAOYSA-N 430.020 3.815 0 40 IHAB COc1ccc(CNC(=S)Nc2ccc(C(=O)N3CCCCC3)cc2)c(OC)c1OC 225527423 QPWACLCKBDKHGW-UHFFFAOYSA-N 443.569 3.825 0 40 IHAB CNC(=O)C1(Cc2ccccc2-c2cccs2)CCN(C(=O)Cc2cccnc2)CC1 257223790 DYWQODMIXWYAIT-UHFFFAOYSA-N 433.577 3.950 0 40 IHAB CCN1CCN(C(=O)c2cccc(O)n2)C[C@H](Cc2ccccc2-c2ccc(C)cc2)C1=O 257334397 YFSFTYOYJGUBLF-QFIPXVFZSA-N 443.547 3.926 0 40 IHAB Cc1ccc(CN2C[C@@H](c3ccnn3C)[C@@]3(CCCN(Cc4ccncc4)C3=O)C2)s1 306139568 TUOHWIJLTGCNKP-XUZZJYLKSA-N 435.597 3.593 0 40 IHAB CC(C)NC(=O)C(=O)Nn1c(C(=O)Nc2cccc(Cl)c2)cc2cc(Cl)ccc21 408607755 ODMBTGJHANVQKZ-UHFFFAOYSA-N 433.295 3.795 0 40 IHAB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OC)cc3OC)C2=O)cc1 409104076 DGYQPKGVUAGGIM-YBFXNURJSA-N 442.493 3.778 0 40 IHAB CCOc1ccc(NC(=O)COc2ccc(C(=S)N3C[C@H](C)O[C@@H](C)C3)cc2)cc1 409231143 IFUKYACTQJUFRQ-IRXDYDNUSA-N 428.554 3.888 0 40 IHAB Cn1ccnc1COc1ccc(CN2CCC(O)(COc3ccccc3F)CC2)cc1 585270592 NBUOCYKTRWAWRF-UHFFFAOYSA-N 425.504 3.544 0 40 IHAB Cc1cccc(NC[C@H]2CCCN2C(=O)c2nnn(-c3ccc(OC(F)F)cc3)c2C)n1 1116095769 QHMBPCYPIMUTEB-QGZVFWFLSA-N 442.470 3.597 0 40 IHAB CO[C@@H]1CCN2C[C@@H]1CCCCN(Cc1ncccc1F)CCOc1ccccc1C2=O 2037981126 WDFRGHUTPWBMPP-WMZHIEFXSA-N 441.547 3.763 0 40 IHAB CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1ccccc1C(=O)OC 903524 FIZLIHALLGIXRR-UHFFFAOYSA-N 440.525 3.703 0 40 IHAB Cc1cc(NC(=O)CSc2nnc(COc3ccccc3)n2Cc2ccco2)no1 919673 WQAZRVDSNDOSHJ-UHFFFAOYSA-N 425.470 3.526 0 40 IHAB aggregator O=C(NCc1ccccc1)N(Cc1ccco1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 1335883 YDEZWZXXVWZZHR-UHFFFAOYSA-N 445.475 3.804 0 40 IHAB COC[C@H](C)n1c(COc2ccccc2F)nnc1SCC(=O)N(C(C)C)C(C)C 3252428 WCWROAOKKNRUBS-INIZCTEOSA-N 438.569 3.941 0 40 IHAB COc1cccc2cc(C(=O)OCC(=O)Nc3nc(-c4ccccc4)cs3)c(=O)oc12 3288618 FORIZZUOKFQUFV-UHFFFAOYSA-N 436.445 3.721 0 40 IHAB CC(C)OCCCn1c(SCc2cc(=O)n3ccsc3n2)nc2ccccc2c1=O 3370622 ZWZQMNMIKBCKOJ-UHFFFAOYSA-N 442.566 3.573 0 40 IHAB COC(=O)c1sc(NC(=O)CSc2nc3cc4c(cc3cc2C)OCO4)nc1C 6195102 BVSHXNYYBSTQQY-UHFFFAOYSA-N 431.495 3.554 0 40 IHAB CCCN(CC(=O)Nc1ccccc1OC)[C@@H](C)C(=O)N[C@@H](C)CCc1ccccc1 6940723 GVBHHWBHTLZXFM-PMACEKPBSA-N 425.573 3.872 0 40 IHAB CCOC(=O)[C@H]1[C@H](c2cccc(Oc3ccccc3)c2)NC(=O)N(C)[C@]1(O)C(F)(F)F 8433050 ZSZKOKPABFKBKF-FUHIMQAGSA-N 438.402 3.605 0 40 IHAB Cc1ccc(O[C@H](C)C(=O)Nc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)cc1 8720291 UZGWOERJTOGEEP-CQSZACIVSA-N 431.539 3.896 0 40 IHAB CN(C)C(=O)CSc1ccccc1C(=O)OCC(=O)c1ccc(Br)cc1 8778238 TUHAKLBCLDFCNQ-UHFFFAOYSA-N 436.327 3.669 0 40 IHAB COc1ccccc1CCNC(=O)c1sc(NS(=O)(=O)c2ccc(C)cc2)nc1C 8978880 KVLFISULVXJDDS-UHFFFAOYSA-N 445.566 3.542 0 40 IHAB CCCn1cc(S(=O)(=O)c2ccc(C)cc2)c(=O)c2cc(F)c(N3CCOCC3)cc21 9119066 HJCYOOAGTPVQFE-UHFFFAOYSA-N 444.528 3.528 0 40 IHAB CCOc1ccc(C(=O)N(CC(=O)Nc2cccc(C)c2C)C[C@@H]2CCCO2)cc1OC 9125125 CIELGXOTEIXHRO-FQEVSTJZSA-N 440.540 3.971 0 40 IHAB Cc1nc2ccccc2n1CCNC(=O)c1ccccc1SCC(=O)NCc1ccco1 9378250 XWQFZIPFWYTCEM-UHFFFAOYSA-N 448.548 3.776 0 40 IHAB CN(CC(=O)Nc1cccc2ccccc12)C(=O)CNC(=O)Cc1cccc2ccccc12 9671905 JCPLEWYLUJIREP-UHFFFAOYSA-N 439.515 3.749 0 40 IHAB CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@H](c2cccs2)N2CCc3ccccc32)c1 9708344 HQUWUKIAQZTJSC-OAQYLSRUSA-N 448.548 3.565 0 40 IHAB CCOc1ccccc1N1CCN(Cc2nc3scc(-c4ccco4)c3c(=O)[nH]2)CC1 9875195 KRDMSLYWPRRINU-UHFFFAOYSA-N 436.537 3.966 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N2CCc3[nH]c4ccccc4c3C2)cc1 9956593 DJPZBCHTHDDNMY-QHCPKHFHSA-N 437.565 3.604 0 40 IHAB COC(=O)c1ccc2c(=O)[nH]c(COC(=O)c3cccnc3Sc3ccccc3)nc2c1 9962980 IQMYJJMBRKLYCH-UHFFFAOYSA-N 447.472 3.613 0 40 IHAB O=C(CSc1nnnn1-c1ccc(Cl)cc1)Nc1ccc(CN2CCCC2)cc1 10216953 JSNIESKHSUKFMT-UHFFFAOYSA-N 428.949 3.642 0 40 IHAB COc1ccc(N(CCCC(=O)NCc2ccc(Cl)cc2)S(C)(=O)=O)cc1Cl 10363930 XZIXOEXHLJBHRQ-UHFFFAOYSA-N 445.368 3.865 0 40 IHAB CCOC(=O)c1cccc(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)c1 10441240 KWBLAYMFYOHIMZ-UHFFFAOYSA-N 438.505 3.941 0 40 IHAB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)Cc1c(C)nc2ccccc2c1C 10701488 NFPKRJLQTMUERW-UHFFFAOYSA-N 432.524 3.840 0 40 IHAB Cc1ccc(-n2ncc3c2N=C(SCC(=O)NC(C)C)N2CCCN=C32)cc1Cl 12390840 LEJMYNYNMJHFMU-UHFFFAOYSA-N 430.965 3.545 0 40 IHAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1ccccc1N1CCCCC1)C2=O 12523227 NGAHPAQTJJMACX-MZNJEOGPSA-N 426.561 3.752 0 40 IHAB CCc1ccccc1N1C[C@@H](C(=O)Nc2ccc(N3CCN(CC)CC3)cc2C)CC1=O 12537227 ADDYWOBNHSHWRV-NRFANRHFSA-N 434.584 3.691 0 40 IHAB CCOc1ccc(Br)cc1S(=O)(=O)Oc1ccc2c(c1)CCC(=O)N2 12817631 DFNVIMKQDRWUJE-UHFFFAOYSA-N 426.288 3.500 0 40 IHAB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C(F)(F)F)C2)cc1 12924686 XZTMXXLVGOULPY-INIZCTEOSA-N 426.460 3.926 0 40 IHAB COc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1 12978912 WIAAPAJQGBAQRJ-UHFFFAOYSA-N 430.570 3.728 0 40 IHAB Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)sc2nc3cc4c(cc3cc12)OCCO4 13503454 HMPCSHWKCIZOEW-UHFFFAOYSA-N 435.461 3.826 0 40 IHAB CC(=O)c1cccc(N(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)S(C)(=O)=O)c1 13942850 PIRHZWMKXJHPPA-UHFFFAOYSA-N 448.850 3.966 0 40 IHAB CC(=O)c1ccc(-c2ccc(C(=O)OCC(=O)Nc3cccc(C(=O)NC4CC4)c3)o2)cc1 14705308 DPEDWZLEGVSBQT-UHFFFAOYSA-N 446.459 3.837 0 40 IHAB O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccc(Br)cc1 15629001 BHWVGSOJYSLVKK-UHFFFAOYSA-N 437.359 3.805 0 40 IHAB CCS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3ccc(Br)cc3)c2)nn1 15880838 GGWSFFNQBSDCEC-UHFFFAOYSA-N 446.326 3.952 0 40 IHAB O=C(COc1ccc(Br)cc1)NC(=S)Nc1ccccc1N1CCCC1 16450412 DGUHOYGZQVAPQL-UHFFFAOYSA-N 434.359 3.941 0 40 IHAB COc1ccccc1Nc1nc(N)nc(COC(=O)c2cccnc2Oc2ccccc2)n1 16675270 ZRIQMUUQFHNBJV-UHFFFAOYSA-N 444.451 3.750 0 40 IHAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2SC)cc1Cl 16692758 RMAHAVTWMHSBDM-UHFFFAOYSA-N 428.963 3.720 0 40 IHAB CCCCCOc1ccc(/C=c2\sc3nc([C@@H]4COc5ccccc5O4)nn3c2=O)cc1 16742069 QVAXQMHTTGOUOW-RUAJRXAUSA-N 449.532 3.780 0 40 IHAB CNC(=O)c1ccc(-c2ccc([C@H]3CCCN3C(=O)c3ccc(COC)cc3)nc2)cn1 19688779 WKXVSJGVAYOIIU-HSZRJFAPSA-N 430.508 3.627 0 40 IHAB CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CN(C(=O)c2ccc3ncccc3c2)CCO1 19702979 JQAYAMMEVIPPAK-IBGZPJMESA-N 446.532 3.760 0 40 IHAB O=C(NC1CCCC1)c1ccc([C@@H]2CCCN(C(=O)COc3ccccc3F)C2)nc1 19754500 KOJCTBCLMFLZKR-GOSISDBHSA-N 425.504 3.678 0 40 IHAB Cc1ncc(C(=O)NC2CCCCC2)c([C@H]2CCCN2S(=O)(=O)Cc2ccccc2)n1 19766732 HCPXXFQHWQNOSE-OAQYLSRUSA-N 442.585 3.514 0 40 IHAB COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2cccnc2Cl)cc1OC 20745852 CQOOCCKZGPZUFQ-UHFFFAOYSA-N 439.899 3.977 0 40 IHAB CN(C(=O)CSc1nccnc1N1CCN(c2ccccc2)CC1)c1ccc(F)cc1 21657171 YOLXLZBJMQYEAR-UHFFFAOYSA-N 437.544 3.697 0 40 IHAB CS(=O)(=O)N(Cc1ccccc1F)c1ccc(OCC(=O)Nc2cccc(F)c2)cc1 22233524 HFEKJHMYOXVJDL-UHFFFAOYSA-N 446.475 3.949 0 40 IHAB COc1cc2nc(-c3ccccc3)nc(N3CCN(CCN4CCCC4)CC3)c2cc1OC 22784006 CXGGJMQFDSZKCZ-UHFFFAOYSA-N 447.583 3.532 0 40 IHAB CN(Cc1nc2ccccc2s1)C(=O)CSc1nnc(N2CCCC2)n1C1CC1 26423804 DOKLUWKFSLPVHF-UHFFFAOYSA-N 428.587 3.574 0 40 IHAB NC(=O)[C@H](Sc1nc(O)c2cnn(-c3cccc(Cl)c3)c2n1)c1ccc(F)cc1 26430572 UCWDWWPQRLKEDM-OAHLLOKOSA-N 429.864 3.632 0 40 IHAB O=C(OCc1nc2cc(Cl)ccc2c(=O)[nH]1)c1nn(-c2ccc(F)cc2)c2c1CCC2 32752702 GLLGBIWNPXBUAY-UHFFFAOYSA-N 438.846 3.747 0 40 IHAB COc1ccc(CCNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)c2ccccc2OC)cc1 32833135 HSQWAVCKTRMKLK-OIBXWCBGSA-N 436.552 3.836 0 40 IHAB C[C@@H](OC(=O)c1ccccc1NS(=O)(=O)c1cccs1)C(=O)NC1CCCCC1 33045848 ZEBLQFGNDPJAIP-CQSZACIVSA-N 436.555 3.543 0 40 IHAB CC(C)CCn1c(SCC(=O)Nc2ccc(Cl)cc2F)nc2cn(C)nc2c1=O 33265338 OSMOPUUAISYYLC-UHFFFAOYSA-N 437.928 3.699 0 40 IHAB O=C(CNC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1)Nc1ccccc1C(F)(F)F 35363469 OGGMGHFAFCDOIB-UHFFFAOYSA-N 434.201 3.706 0 40 IHAB CC[C@@H](C)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1Cl)C(=O)OC 36576397 JLTFFELJKDPHEW-ONUMYQOESA-N 439.343 3.961 0 40 IHAB CS(=O)(=O)N1CC[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)Oc2ccc(Cl)cc21 38834745 ZKIVRVXAHYTSCW-MRXNPFEDSA-N 448.850 3.915 0 40 IHAB CSc1cccc(N2C[C@@H](C(=O)Nc3nc4ccc(NC(C)=O)cc4s3)CC2=O)c1 40040474 CXHDXJZDPNZOJZ-ZDUSSCGKSA-N 440.550 3.968 0 40 IHAB COc1ccc(CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3nnc(C)n3c2)cc1F 49408546 VBESGIDKEFQLGC-UHFFFAOYSA-N 444.463 3.720 0 40 IHAB COc1ccc(-c2cccc(C[C@@H]3C(=O)NCCN3C(=O)CCCc3ccccn3)c2)cc1 72351435 KATGFIDQUOLVCH-RUZDIDTESA-N 443.547 3.650 0 40 IHAB CCOc1ccc(CN2CCC[C@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)cc1OC 72394289 ITLMMXBQJXKKCC-INIZCTEOSA-N 438.977 3.925 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)Nc2cc(-c3cccnc3)[nH]n2)cc1)c1ccc(F)cc1 79108565 FVUODRHANPFCOW-UHFFFAOYSA-N 437.456 3.664 0 40 IHAB COC(=O)c1cncc(NC(=O)CCn2cnc3scc(-c4ccc(C)cc4)c3c2=O)c1 89641154 MPOZWVOCDDKQBV-UHFFFAOYSA-N 448.504 3.644 0 40 IHAB Cc1ccc(N(C)[C@H]2CCCN(C(=O)Nc3ccc(F)cc3CS(C)(=O)=O)C2)cc1 95942690 WXRVQOZNNTVUPN-FQEVSTJZSA-N 433.549 3.811 0 40 IHAB O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1ccc2c(ccn2Cc2ccccc2)c1 96115562 FHYXCWLMTXSODP-QFIPXVFZSA-N 438.487 3.769 0 40 IHAB biogenic O=C(CCC(=O)c1ccc2c(c1)CCC2)NCCN1C(=O)S/C(=C/c2ccccc2)C1=O 96926507 GYQLIHXKORPZIH-PXLXIMEGSA-N 448.544 3.991 0 40 IHAB COc1ccc(N2C(=O)[C@H]3ON(c4ccc(OC)cc4)[C@@H](c4ccccc4)[C@@H]3C2=O)cc1 102693141 MRIXZMITUCEVGP-VABKMULXSA-N 430.460 3.755 0 40 IHAB COc1ccc(-c2cc(NC(=O)CCN3C(=O)[C@H]4CC=CC[C@H]4C3=O)ccc2OC)cc1 103141973 RRZYVUZVESALFK-BGYRXZFFSA-N 434.492 3.651 0 40 IHAB CC1([C@H]2CC[C@H]3[C@@H]4CC[C@@H]5CC6(CC[C@]5(C)[C@H]4[C@@H]4C[C@@]32C(=O)O4)OCCO6)OCCO1 118918191 SPCOYRJFXKKGPF-UYZRDZLQSA-N 432.557 3.667 0 40 IHAB CC(C)OC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(F)cc2)cc1 139007528 FNNNYFGBSUIWSR-UHFFFAOYSA-N 444.459 3.682 0 40 IHAB CCCCNC(=O)c1ccccc1NC(=O)[C@@H](CC)N(c1cccc(C)c1)S(C)(=O)=O 220511070 KNSLTBFURZVMST-OAQYLSRUSA-N 445.585 3.708 0 40 IHAB CC[C@@H](C(=O)Nc1ccccc1Br)N(c1ccccc1F)S(C)(=O)=O 220587724 VFQLZYASISGRCT-HNNXBMFYSA-N 429.311 3.772 0 40 IHAB Cc1cccc(OCCNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c1C 223902712 HNMAQZXSDGQRPV-UHFFFAOYSA-N 438.549 3.694 0 40 IHAB CCc1ccc([C@H](C)NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCC3)c2)cc1 223932749 PZKFBUCFLSZONG-KRWDZBQOSA-N 430.570 3.923 0 40 IHAB Cc1nc2ccc(NC(=O)CN3CCOC[C@@H](Cc4ccc5ccncc5c4)C3)cc2[nH]1 257269802 MRKPFFCJQMSMIO-IBGZPJMESA-N 429.524 3.549 0 40 IHAB CC(C)(C)C(=O)N1CCC(c2nnc([C@@H]3CCCCN3C(=O)C[C@H]3CCCCO3)o2)CC1 257337747 YUEPTSFTEQXHNP-MOPGFXCFSA-N 446.592 3.835 0 40 IHAB O=C(O)CN1C(=O)N/C(=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)C1=O 408590159 GJFWUSRLEYNOQJ-CIAFOILYSA-N 425.444 3.820 0 40 IHAB CCCC1=C(C(=O)OCC)[C@H](c2ccc(-c3ccc(C(=O)OC)cc3)o2)NC(=S)N1 408603380 GFZOBRAIMKAEML-IBGZPJMESA-N 428.510 3.869 0 40 IHAB O=C(O)c1ccc(COc2ccc(/C=C/[N+](=O)[O-])cc2I)cc1 408783689 ONMNLOWILZSFLO-BQYQJAHWSA-N 425.178 3.816 0 40 IHAB CCn1c(SCC(=O)NCc2ccccc2)nnc1[C@H](C)NC(=O)c1cccc(C)c1 409141000 GODRSVVWASLQHE-KRWDZBQOSA-N 437.569 3.506 0 40 IHAB COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)c(OC)c1 409154323 GRQKHVCZODLEON-VCHYOVAHSA-N 426.494 3.996 0 40 IHAB COc1cc([C@H]2CC(=O)N=C3N=CNN32)c(Br)cc1OCc1ccc(C)cc1 409369526 CLDNFBXONOOTPW-MRXNPFEDSA-N 443.301 3.521 0 40 IHAB CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)N2CCc3ccc(Cl)cc32)s1 538840347 HWBSKVRUKLVHFY-UHFFFAOYSA-N 426.991 3.858 0 40 IHAB CC(=O)Nc1cccc(-c2cnc3n2CCN(C(=O)CCOc2ccc(F)cc2)CC3)c1 585111088 CXVZLNUUBHIEQA-UHFFFAOYSA-N 436.487 3.501 0 40 IHAB COc1ccc([C@H]2CN(C(=O)c3ccc(OC)c(NCc4ccncc4)c3)CCN2C)cc1 585262089 USYVRGXZPJCCND-XMMPIXPASA-N 446.551 3.840 0 40 IHAB CC(C)(NC(=O)c1ccc(F)cc1)C(=O)N1CCOC[C@@H](Cc2cncc3ccccc23)C1 585262096 WCAHQWQHDAWZID-SFHVURJKSA-N 449.526 3.600 0 40 IHAB C[C@H]1COc2ccccc2C(=O)NCCCCCC2(CCN(C3CCCC3)CC2)C(=O)N1 643581727 VLQZLTGDPVHJJG-FQEVSTJZSA-N 441.616 3.899 0 40 IHAB C/C(NCc1ccccc1Cl)=C1/C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O 1407438 PKENNWUSOXUMCJ-LFIBNONCSA-N 448.704 3.749 0 40 IHAB CCOC(=O)CSc1nc2nc3c(cc2c(=O)n1-c1ccc(C)cc1)COC(C)(C)C3 2357676 OTMDFLXDZDTLDW-UHFFFAOYSA-N 439.537 3.596 0 40 IHAB Cn1c(SCC(=O)Nc2c(F)cc(F)cc2Br)nnc1-c1ccccn1 2394412 WBJHYSBISBQYGJ-UHFFFAOYSA-N 440.273 3.649 0 40 IHAB O=C(CSc1nnc(COc2ccccc2F)n1-c1ccccc1)NCC(F)(F)F 2640715 JXRLWWOTFGMREH-UHFFFAOYSA-N 440.422 3.756 0 40 IHAB CN1[C@@H]2CC[C@@H]1CC(NC(=O)c1cc3nc(-c4ccccc4)cc(C(F)(F)F)n3n1)C2 2793075 HPUNQYQNIBZPNU-HZPDHXFCSA-N 429.446 3.770 0 40 IHAB COC[C@@H](C)n1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nc2ccccc2c1=O 3259533 GDKKEMQJTPUCNA-CQSZACIVSA-N 425.510 3.537 0 40 IHAB Cc1cc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)no1 3274059 BHRWTFQNLKVJOP-UHFFFAOYSA-N 443.506 3.738 0 40 IHAB Cc1cc(C)n2c(S[C@@H]3CCCCN(C(=O)c4ccc(Cl)cc4)C3=O)nnc2n1 3407056 CQLRRLXXDKOWPS-MRXNPFEDSA-N 429.933 3.708 0 40 IHAB CCOc1ccccc1NC(=O)/C=C/c1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 3472633 WPQWNSALICJFDF-WYMLVPIESA-N 444.553 3.920 0 40 IHAB O=C1N[C@@H](c2ccccc2)[C@H](C(=O)c2ccc(Br)cc2)[C@](O)(C(F)(F)F)N1 4163838 SCVHLNZCSIMTDW-KEYYUXOJSA-N 443.219 3.553 0 40 IHAB CC[C@H](N[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(C)cc1 8128374 SUCWGUJNNSZYQC-AVRDEDQJSA-N 429.586 3.847 0 40 IHAB O=C(/C=C/c1ccco1)N/C(=C\c1ccccc1)C(=O)NCCc1nc2ccccc2[nH]1 8684719 UBIZOOVJZCTJGG-QEMQQFRCSA-N 426.476 3.685 0 40 IHAB Cc1nc2c(=O)n(CC(=O)NCc3ccccc3Cl)nc(-c3cccs3)c2s1 8956069 AXFPXAVFPJKZHR-UHFFFAOYSA-N 430.942 3.860 0 40 IHAB CCOc1ccc(NC(=O)CCC(=O)c2cccs2)cc1S(=O)(=O)N1CCCC1 8987924 YBXJACFWYNXLMU-UHFFFAOYSA-N 436.555 3.533 0 40 IHAB COc1ccc(CNC(=O)c2cn(C3CC3)c3c(OC)c(F)c(F)cc3c2=O)c(OC)c1 9050405 LIKHQEXPVJPNFC-UHFFFAOYSA-N 444.434 3.570 0 40 IHAB Cc1cccc(NC(=O)CNC(=O)CSc2nnc(-c3cccs3)n2C2CC2)c1C 9051209 ACFOPCYHWLCZFA-UHFFFAOYSA-N 441.582 3.805 0 40 IHAB CC(=O)Nc1cccc(NC(=O)CSc2ccc3nnc(-c4ccc(C)cc4)n3n2)c1 9415104 MEXJIHHTFDWOMH-UHFFFAOYSA-N 432.509 3.789 0 40 IHAB O=C(CCn1cnc2ccccc21)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 9685442 DNOSGTLGKJWJFY-UHFFFAOYSA-N 426.542 3.630 0 40 IHAB Cc1ccc(S(=O)(=O)[C@@H](CNS(=O)(=O)c2ccc(F)c(C)c2)c2ccco2)cc1 9740564 LDMFTITXSKSWNT-FQEVSTJZSA-N 437.514 3.529 0 40 IHAB CCN(CC)CCn1c(NC(=O)COc2c(F)c(F)cc(F)c2F)nc2ccccc21 9861029 WUWPWZDKVUNJMB-UHFFFAOYSA-N 438.425 3.952 0 40 IHAB Cc1nc(SCC(=O)Nc2ccccc2N2CCCC2=O)n(C[C@@H]2CCCO2)c1C 10380731 BWMZEPPMYOQNCO-KRWDZBQOSA-N 428.558 3.537 0 40 IHAB CSc1cccc(N2C[C@H](C(=O)N3CCC(C(=O)Nc4ccccc4)CC3)CC2=O)c1 10444777 UGGPITQINXPKFM-GOSISDBHSA-N 437.565 3.639 0 40 IHAB Cn1c(=O)n(C)c2cc(S(=O)(=O)N(Cc3ccc(Cl)cc3)Cc3ccco3)ccc21 11615487 ZVZLZKROOXZFMM-UHFFFAOYSA-N 445.928 3.515 0 40 IHAB CCOCc1c(C(=O)N2CCN(CC(=O)Nc3ccc(C)cc3)CC2)oc2ccccc12 12761990 LRJVFQOTOWQKLS-UHFFFAOYSA-N 435.524 3.674 0 40 IHAB Cc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc1 12786592 SEUYPDVFVZDRJC-IAGOWNOFSA-N 434.583 3.524 0 40 IHAB O=C(c1ccc(Br)cc1)N1CCN(Cc2nc(-c3cccs3)no2)CC1 12791832 PEYSLZOOTXBTTF-UHFFFAOYSA-N 433.331 3.519 0 40 IHAB COc1cc2nc(NC(=O)c3cccc(NC(=O)[C@@H]4CCCO4)c3)sc2cc1OC 12792842 BDXWMKWXKYWRIU-HNNXBMFYSA-N 427.482 3.683 0 40 IHAB O=C(CCN1C(=O)c2ccccc2C1=O)Nc1nc2ccc(OC(F)(F)F)cc2s1 12806361 CKUBLNMAGXPINO-UHFFFAOYSA-N 435.383 3.820 0 40 IHAB COc1cc(CNC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)ccc1OCc1ccccc1 12885603 VQOLRSWXWJCCIW-UHFFFAOYSA-N 445.475 3.822 0 40 IHAB Cc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)N4c5ccccc5C[C@H]4C)CC3)CC2=O)cc1 13844546 AAPLBBOJDUSCMX-KNQAVFIVSA-N 445.563 3.564 0 40 IHAB CCn1c(CC(=O)Nc2ccccc2C)nnc1SCC(=O)Nc1ccc(F)c(F)c1 13956417 WEXPTKFJGKBUIX-UHFFFAOYSA-N 445.495 3.797 0 40 IHAB Cc1nc(SCC(=O)Nc2ccc(I)cc2)nc2c1CCC2 14137269 ZPYJPSUDIRRPMI-UHFFFAOYSA-N 425.295 3.609 0 40 IHAB COc1ccc(N2C(=O)CN(c3ccc(OC)cc3OC)C(=O)[C@@H]2c2ccccc2)cc1 15412599 OBZVUSAMDXMMRO-DEOSSOPVSA-N 432.476 3.834 0 40 IHAB COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(C)C)cc3)c(=O)n2[C@@H]1c1ccccc1 16740737 NAQPDMFXSQWJMM-VOSMRYOYSA-N 432.545 3.532 0 40 IHAB C[C@H](CCc1ccccc1)NC(=O)Cc1csc(Nc2ccc(S(C)(=O)=O)cc2)n1 16850430 DPFCCVOVVWZCPV-MRXNPFEDSA-N 443.594 3.970 0 40 IHAB CCOC(=O)c1c(NC(=S)NC(=O)c2ccc(C)cc2C)sc(C(=O)OC)c1C 17098970 HSKANLGWVUBHQI-UHFFFAOYSA-N 434.539 3.763 0 40 IHAB O=C(CCCN1C(=O)c2ccc(Br)cc2C1=O)NCCc1ccc(Cl)cc1 17297742 IBAWKMBWVWOHNO-UHFFFAOYSA-N 449.732 3.838 0 40 IHAB COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4OC)C(=O)[C@H]3ON2c2ccccc2)cc1 18085204 ARZHICNHPZMVIN-ZLNRFVROSA-N 430.460 3.755 0 40 IHAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2csc(-c3cccs3)n2)CC1 18127719 YAWYAABEZNNSLK-UHFFFAOYSA-N 440.594 3.885 0 40 IHAB Cc1ccc(O[C@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)c2cc(=O)[nH]c(C)n2)cc1 19210923 JOUAXNRKTQRHRP-ZHRRBRCNSA-N 430.508 3.736 0 40 IHAB Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)Oc2cccc(F)c2)cc(=O)[nH]1 19240950 IWWPGLIWRRKWKN-QKKBWIMNSA-N 434.471 3.566 0 40 IHAB CC(C)c1ncc(CN2CCC(O)(Cn3c(C(F)(F)F)cc4cccnc43)CC2)cn1 19453986 IDOASKBBCXLREK-UHFFFAOYSA-N 433.478 3.996 0 40 IHAB CCCN1CCN(C(=O)c2cncn2CC)C[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O 19502819 FBWAUQIKBGPQEA-HSZRJFAPSA-N 445.567 3.518 0 40 IHAB CN(C)c1cc([C@H](Cc2ccccc2)NC(=O)Cc2ccccn2)nc(-c2cccnc2)n1 19584346 SSUVIRWIGUQLMW-QFIPXVFZSA-N 438.535 3.642 0 40 IHAB CCCc1cc(C(=O)N2CCO[C@H](c3nc(N(C)C)ncc3-c3cccc(F)c3)C2)no1 19692675 RWAKQPCMKVBZRT-FQEVSTJZSA-N 439.491 3.503 0 40 IHAB Cc1nc(C2CCN(C(=O)C[C@@H]3C=CCC3)CC2)nc2c1CCC(=O)N2Cc1ccccn1 19739252 XFFJUMIOMZYINN-LJQANCHMSA-N 445.567 3.722 0 40 IHAB Cc1cc(C)c2nc(NC(=O)c3ccc(=O)n(CC(=O)NC4CCCCC4)c3)sc2c1 19750813 HISRBQKHXAMZMB-UHFFFAOYSA-N 438.553 3.776 0 40 IHAB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O 20820166 VAFWURYGRHLKGY-CALCHBBNSA-N 436.508 3.549 0 40 IHAB Cn1cccc1[C@H](CNS(=O)(=O)c1ccc(Cl)cc1)N1CCc2ccccc2C1 21153563 PHBWYRCNMYFBFG-QFIPXVFZSA-N 429.973 3.756 0 40 IHAB CCOc1ccc(CCC2CCN(C(=O)Cn3nc(C)c4ccccc4c3=O)CC2)cc1 21342537 PNWKDVPGVDNLQK-UHFFFAOYSA-N 433.552 3.975 0 40 IHAB Cc1nc(S[C@@H](C)c2ccccc2)[nH]c(=O)c1CC(=O)N1CCN(c2ccccc2)CC1 23138661 GCCDAXLRMNHDKJ-IBGZPJMESA-N 448.592 3.823 0 40 IHAB COc1ccc(N(CC(=O)Nc2ccc(F)c(F)c2)S(=O)(=O)c2ccccc2)cc1 23160871 MUHQVHYUFXRPEP-UHFFFAOYSA-N 432.448 3.807 0 40 IHAB CN(C(=O)c1cccs1)c1ccccc1C(=O)NCCNC(=O)c1ccc(Cl)cc1 24767601 CXJYVYYSLMFFPY-UHFFFAOYSA-N 441.940 3.838 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](C)c3cc(C)ccc3C)C2)cc1 24960049 YVLSMUQXMMDFPV-RBUKOAKNSA-N 430.570 3.590 0 40 IHAB C[C@@H](NC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21)c1ccc(Cl)cc1Cl 27092972 ZZTNUMNZZCFRCP-GFCCVEGCSA-N 440.352 3.765 0 40 IHAB Cc1ccc([C@@H](CNC(=O)c2cc(=O)c3ccc(Br)cc3o2)N(C)C)cc1 28290768 AHYVTZLJZOVDBA-QGZVFWFLSA-N 429.314 3.897 0 40 IHAB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CCn2cnc3ccccc32)c1 29635454 VDLUHPIAMMLLCL-UHFFFAOYSA-N 434.521 3.890 0 40 IHAB C[C@H]1c2ccsc2CCN1C(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 30549815 AVLQTWFXZNKLMD-ZDUSSCGKSA-N 440.537 3.573 0 40 IHAB CCOc1ccc([C@@H]2CCCN2C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)cc1 32454202 BGCDKPBISZWHMQ-QHCPKHFHSA-N 442.581 3.822 0 40 IHAB C[C@@H](Oc1ccc(Br)cc1)C(=O)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 32925900 IXFVOHLHNAWDQW-RHSMWYFYSA-N 444.391 3.565 0 40 IHAB COC(=O)c1ccc(OC[C@H](O)CN2CCC[C@H](c3nc4ccccc4s3)C2)cc1 37207211 UEKVKIUUCNQONB-ZWKOTPCHSA-N 426.538 3.702 0 40 IHAB COC(=O)COc1ccc(NC(=O)c2cccnc2SCc2c(C)noc2C)cc1 40111479 NWNPAUSNSZMZPV-UHFFFAOYSA-N 427.482 3.783 0 40 IHAB Cc1cn2c(=O)cc(COc3cccc(NC(=O)COc4ccccc4C)c3)nc2s1 41077408 VLCFQVLISVJXIQ-UHFFFAOYSA-N 435.505 3.969 0 40 IHAB CCCCOc1ccc(C(=O)N[C@H](CN2CCOCC2)c2ccc(OC)cc2)cc1OC 48304192 CEFGVCXBGJYWME-JOCHJYFZSA-N 442.556 3.686 0 40 IHAB O=C(C1=NN(Cc2ccccc2Cl)c2ccccc2S1(=O)=O)N1CCCCCC1 49402587 QCISQNCXPGJHFU-UHFFFAOYSA-N 431.945 3.850 0 40 IHAB CC(C)(C)n1nc(C(=O)OCc2nnnn2-c2ccc(C(F)(F)F)cc2)cc1C1CC1 61533025 FSRRVUHGXUCLFY-UHFFFAOYSA-N 434.422 3.867 0 40 IHAB Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)N[C@@H]3CCc4ccccc43)c2=O)c1C 67218552 SOEADVIUYXGLGV-LJQANCHMSA-N 445.544 3.634 0 40 IHAB CCN(C(=O)Cn1cnc2c(-c3cccc(OC)c3)cn(C)c2c1=O)c1cccc(C)c1 67235482 LQPOCQBYXAVYEE-UHFFFAOYSA-N 430.508 3.772 0 40 IHAB CCOc1ccc(S(=O)(=O)NCC2CCN(c3nc4ccccc4o3)CC2)cc1C 70923980 RRIRDDMKIJVMGG-UHFFFAOYSA-N 429.542 3.730 0 40 IHAB O=C(N=c1[nH]c2ccccc2[nH]1)[C@H]1c2ccccc2C(=O)N(C[C@@H]2CCCO2)C12CCCC2 72401973 XZEKDILIYOACTD-HTAPYJJXSA-N 444.535 3.655 0 40 IHAB O=C(C[C@@H]1CC2(CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c2ccccc21)NC1CC1 96242301 WTKHSIXKKWCIFE-GOSISDBHSA-N 432.520 3.745 0 40 IHAB CCOc1ccc(N(CC(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)S(=O)(=O)c2ccc(F)cc2)cc1 100403608 OVQLTKNEZHCFDV-YVHKJVDXSA-N 446.544 3.725 0 40 IHAB Cc1cc(C)cc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1 102086878 ASTRUYYSBFGSSS-DPPJIKRNSA-N 440.543 3.906 0 40 IHAB C[C@H](NC(=O)C(C)(C)S(=O)(=O)c1ccc(Br)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 106184233 KIDLEHSAYJAUHY-WSMBLCCSSA-N 428.392 3.942 0 40 IHAB CCOc1ccc(NC(=O)[C@@H](C)N(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 220190709 RDIVAHWBODFAFQ-CYBMUJFWSA-N 430.448 3.897 0 40 IHAB CC[C@H](C(=O)NCCSCc1ccco1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O 222504261 SYUMJHQKXSRCBX-QGZVFWFLSA-N 448.969 3.666 0 40 IHAB Cc1ccc(Cl)cc1N([C@@H](C)C(=O)NCCOc1ccc(Cl)cc1)S(C)(=O)=O 224044197 HEDQXVTYMDKRQX-AWEZNQCLSA-N 445.368 3.652 0 40 IHAB O=C(NCCCSCc1ccc(F)cc1)c1ccc(N2CCCCS2(=O)=O)cc1 224382387 MDXYSOPQOSZRSR-UHFFFAOYSA-N 436.574 3.809 0 40 IHAB CCOc1ccccc1CNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccccc2)cc1 224413939 VYQJVXHLXIFDGS-UHFFFAOYSA-N 438.549 3.836 0 40 IHAB CS(=O)(=O)N(Cc1ccc(C(=O)NCC2CCCCC2)cc1)c1ccc2c(c1)OCO2 224759435 JPKGBLVFPJAXGV-UHFFFAOYSA-N 444.553 3.692 0 40 IHAB O=C(Nc1nnc(S(=O)(=O)NCc2ccc(Cl)cc2)s1)c1ccccc1Cl 225449468 DFGHVRXNJAQSAM-UHFFFAOYSA-N 443.337 3.576 0 40 IHAB COc1ccc(CN2CCC(O)(c3csc(CN(C)Cc4cccnc4)n3)CC2)cc1 225475496 XDALPPGDKVHTFP-UHFFFAOYSA-N 438.597 3.662 0 40 IHAB biogenic,in-vitro O=C(COc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)cc1)N1CCCCC1 225571043 APFUYXHISHKBAP-UHFFFAOYSA-N 440.515 3.904 0 40 IHAB CSc1nnc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(C)c2)s1 225798191 SEQAIVWLUNWXIL-UHFFFAOYSA-N 434.568 3.930 0 40 IHAB COc1cc2c(cc1S(=O)(=O)NCc1nc(-c3ccccc3Cl)no1)CCCC2 225816056 BUYZBVAEKHMLGN-UHFFFAOYSA-N 433.917 3.756 0 40 IHAB Cc1cccc2cc([C@H](c3nnnn3Cc3ccccc3)N3CCC[C@@H](C)C3)c(=O)[nH]c12 229838983 KMMHPQZWBZFJDY-UZUQRXQVSA-N 428.540 3.693 0 40 IHAB COc1cccc(CN2CCC[C@H]([C@H]3C[C@@H](C(=O)Nc4ccccc4OC)CN3C)C2)c1 248130549 NCDNKBWKCYFGNK-YZUZCNPQSA-N 437.584 3.875 0 40 IHAB CC(C)(C)OC(=O)N[C@]1(CN)[C@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccccc1 252515871 OFWVXHUKENCCBU-DBXWQHBBSA-N 436.961 3.502 0 40 IHAB CCc1nccn1-c1cccc([C@@H]2CCCN2C(=O)c2ccc3c(c2)ncn3CCOC)n1 257234444 GTOHFMCRNUEYJM-QFIPXVFZSA-N 444.539 3.803 0 40 IHAB CC[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1)c1ccc(OC)c(C)c1 260888467 AVWBCPYWCHPRHZ-RBBKRZOGSA-N 444.597 3.980 0 40 IHAB CCOCCCNS(=O)(=O)c1ccc(OCC)c(NC(=O)c2cccc(Cl)c2)c1 408557635 GXBWPNNBLYOJMQ-UHFFFAOYSA-N 440.949 3.696 0 40 IHAB COc1ccc(Cl)cc1NC(=O)COC(=O)CCC(=O)Nc1ccc(Cl)cc1 408665071 SXESUJBOXRBWNS-UHFFFAOYSA-N 425.268 3.903 0 40 IHAB C[C@@H](NC(=O)COC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1)c1ccccc1 408668557 MCBSEOORCZJRDW-HIFRSBDPSA-N 435.307 3.767 0 40 IHAB COc1cc(OC)c(OC)cc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(F)cc2)C1=O 409160162 WAYHFCOAEUEEHC-GIJQJNRQSA-N 446.456 3.527 0 40 IHAB CC(C)c1nc(N[C@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)nc(N(C)C)n1 502354223 TZHSTKXJNYHMRS-LJQANCHMSA-N 443.548 3.805 0 40 IHAB O=C(N[C@@H](Cc1c[nH]c2cccc(Br)c12)C(=O)O)c1cc2cc(F)ccc2[nH]1 539568294 WYNLCTXKIHHHTQ-KRWDZBQOSA-N 444.260 3.977 0 40 IHAB CNC(=O)Nc1ccc(C(=O)Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1 1523739353 WAHBAKMQIFQTKS-UHFFFAOYSA-N 433.493 3.569 0 40 IHAB Cn1cc(-c2ccc3c(c2)OCC[C@H]2CN(Cc4ccccn4)CC[C@H]2CC(=O)N3)cn1 1534646893 UUCOTQDTLMTOEX-PMACEKPBSA-N 431.540 3.732 0 40 IHAB COc1cc(CC(=O)N2CC[C@@](O)(CC(C)C)[C@@H](Oc3cccc(F)c3)C2)ccc1O 1848357431 FUDXNHGCDJSNES-LADGPHEKSA-N 431.504 3.540 0 40 IHAB O=C1CC2(CCN(C(=O)c3cn4cc(Cl)ccc4n3)CC2)CN1Cc1cccc(F)c1 2055795736 OVQAQSICDIHZEP-UHFFFAOYSA-N 440.906 3.782 0 40 IHAB CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 2640082 YGYZQVRRAKVAJR-NSHDSACASA-N 426.454 3.543 0 40 IHAB COc1ccc(CCNC(=O)c2sc(=S)n3c2[nH]c(=O)c2ccccc23)cc1OC 3034435 UMXIXEBQFUTHON-UHFFFAOYSA-N 441.534 3.561 0 40 IHAB COc1ccccc1N1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)CC1 3188097 MRHYRPLTDLYLAC-UHFFFAOYSA-N 439.519 3.905 0 40 IHAB O=S(=O)(c1cccc(-c2nc3c4c5c(sc4ncn3n2)CCCC5)c1)N1CCCC1 3256002 QCVAJKNTPMFIAB-UHFFFAOYSA-N 439.566 3.669 0 40 IHAB Cc1ccccc1NC(=O)[C@H](C)OC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 3468936 NCXWIIXQUWTDKD-KRWDZBQOSA-N 427.460 3.878 0 40 IHAB CCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)ccc12 4073307 HHJIRPBCFIQOJU-MIAKESKMSA-N 427.541 3.975 0 40 IHAB biogenic CC[C@@H](CO)NCc1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1 8437919 TUKANFPNYZAMKT-INIZCTEOSA-N 426.435 3.592 0 40 IHAB CCC(C)(C)n1nnnc1[C@@H](C(C)C)N(CCCO)Cc1cc2cc(C)ccc2nc1O 8750793 IMDBUTWSFLBRIY-OAQYLSRUSA-N 440.592 3.962 0 40 IHAB COc1ccc([C@H](CC(=O)OCC(=O)c2ccccc2)NC(=O)COc2ccccc2)cc1 8873094 VSEHCLJKBRGYGU-QHCPKHFHSA-N 447.487 3.748 0 40 IHAB O=c1[nH]c2ccccc2cc1CN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(Cl)cc1 9010416 IWTFQMDLAQYOFV-GOSISDBHSA-N 432.929 3.551 0 40 IHAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1nn(-c2ccccc2)c(=O)c2ccccc12 9056444 ILPXCEAPQKUCBG-QFIPXVFZSA-N 442.519 3.936 0 40 IHAB COc1ccc(NC2=N[C@H](c3cccc(Br)c3)n3c(nc(C)cc3=O)N2)cc1 9291109 IYTXOBHLOHMXMO-SFHVURJKSA-N 440.301 3.763 0 40 IHAB O=C(NCCc1ccc(Cl)cc1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 9317190 XZFFRJJYXOMMPA-UHFFFAOYSA-N 428.941 3.791 0 40 IHAB O=C(Nc1ccccc1)[C@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 9329918 PHGWNIYLGMQIHQ-CJRSTVEYSA-N 435.483 3.841 0 40 IHAB CCOc1cc(N2CCOCC2)c(OCC)cc1N[C@@H](C)C(=O)N1CCc2ccccc21 9491831 IEOIEKHUOCNHBU-SFHVURJKSA-N 439.556 3.710 0 40 IHAB COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2C(F)(F)F)c(OC)c1 9540095 IBZWDHGXRKDETC-SFHVURJKSA-N 435.402 3.989 0 40 IHAB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)N1CCN(c2cccc(Cl)c2)CC1 9635490 LPGYRVKBOJOJMI-FQEVSTJZSA-N 435.902 3.721 0 40 IHAB CCOc1ccc(C(C)C)cc1S(=O)(=O)Nc1cccc(-c2ccc(=O)n(C)n2)c1 10324838 ICNKPOJIUBWYLC-UHFFFAOYSA-N 427.526 3.770 0 40 IHAB Cc1cc(C(=O)COC(=O)c2ccccc2-n2ncc(Cl)c(Cl)c2=O)c(C)n1C 11247407 BWMHYGCOPSBCFB-UHFFFAOYSA-N 434.279 3.534 0 40 IHAB COc1ccc(Cl)cc1NC(=O)Cn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O 12237753 PRGCBKUBOSQNJJ-UHFFFAOYSA-N 444.278 3.536 0 40 IHAB O=C(NCC(F)(F)F)c1cccc(NS(=O)(=O)c2ccccc2Br)c1 12508043 JPQHKGHWOZKNFI-UHFFFAOYSA-N 437.237 3.542 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)N2CCc3ccccc32)c1 12528260 QCVSTTMXFGJIDX-OAHLLOKOSA-N 435.977 3.760 0 40 IHAB O=C(CNS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)Nc1ccc(F)c(F)c1 12569691 GKPAAASTTVILIL-UHFFFAOYSA-N 428.766 3.554 0 40 IHAB COc1ccc(-c2nc(CC(=O)N3CCc4c(sc5ncnc(N)c45)C3)cs2)cc1 12606634 RCVFZYGCXQVBQS-UHFFFAOYSA-N 437.550 3.533 0 40 IHAB CN(C)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=O)Nc1ccc(Cl)cc1 12710703 OXWPWWPYKBTPMQ-UHFFFAOYSA-N 442.903 3.506 0 40 IHAB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)[C@@H](C)C(=O)Nc1cc(Cl)ccc1C 12888620 HOGIKZPSBOLUAV-HNNXBMFYSA-N 430.936 3.894 0 40 IHAB COc1ccccc1[C@H](CNC(=O)COc1ccc(C(=O)c2ccccc2)cc1)N(C)C 13112993 OYAZUJLRPLHDHS-QHCPKHFHSA-N 432.520 3.724 0 40 IHAB O=C(NCCOc1ccc2nnc(-c3cccc(F)c3)n2n1)c1cccc(C(F)(F)F)c1 13524877 CNGOJBHHFYFFLC-UHFFFAOYSA-N 445.376 3.758 0 40 IHAB CCc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=S)NCc3ccco3)cc2c1 13554992 RMGDWHKIXIDZQN-FQEVSTJZSA-N 425.554 3.739 0 40 IHAB CC(C)(C)C1CCC2(CC1)CC(=O)c1ccc(OCC(=O)N3CCC(O)CC3)cc1O2 13691133 MUBICXXWNZYWKS-UHFFFAOYSA-N 429.557 3.989 0 40 IHAB CC[C@@H](C(=O)Nc1cc(OC)c(Cl)cc1OC)N(c1ccc(C)cc1)S(C)(=O)=O 13713846 GGUMPGBLMNBTNZ-KRWDZBQOSA-N 440.949 3.849 0 40 IHAB NS(=O)(=O)c1ccc(CCNCc2ccc(-c3ccc(Br)cc3)o2)cc1 13844662 MHVABPZSUPVRJK-UHFFFAOYSA-N 435.343 3.689 0 40 IHAB CS(=O)(=O)NCCc1ccc(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)s1 14103604 OFYBXYFMYCYEFD-UHFFFAOYSA-N 447.607 3.979 0 40 IHAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O 14701165 YSGKAUPQGKJHEA-UHFFFAOYSA-N 432.933 3.917 0 40 IHAB CSCc1nc2ccccc2n1CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 15707615 JKCGVLHBSNTCNI-UHFFFAOYSA-N 425.482 3.534 0 40 IHAB COc1cccc(/C=C2/N=C(c3cc(I)ccc3Cl)NC2=O)c1 16227928 XCFWAFBVTLHAPK-OVCLIPMQSA-N 438.652 3.871 0 40 IHAB COc1ccc(OC)c([C@@H](C)NC(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1 16344173 WJGNMVSIQBRJAI-DYESRHJHSA-N 440.540 3.879 0 40 IHAB C[C@@H](CCc1ccccc1)NC(=O)Cc1cc(=O)[nH]c(SCc2ccc(F)cc2)n1 16851345 FESXVNTWMQNZQT-INIZCTEOSA-N 425.529 3.881 0 40 IHAB Cc1ccc(C)c(CSc2nnc(Cc3cc(=O)[nH]c(=O)[nH]3)n2-c2cc(C)ccc2C)c1 17026172 SONUJXYBDVZLJG-UHFFFAOYSA-N 447.564 3.761 0 40 IHAB CCOc1ccc(C(=O)CCC(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)cc1 18836881 FLIVJUJUGXNBJH-UHFFFAOYSA-N 432.542 3.764 0 40 IHAB C[C@H](Cc1ccc2c(c1)OCO2)CN1CCC(c2cc(C(F)(F)F)n3ncnc3n2)CC1 19456843 PIGZBUACNUXWSO-CQSZACIVSA-N 447.461 3.930 0 40 IHAB COc1ccc(S(=O)(=O)N2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1OC 19642898 DZBZXBRHBOWTPJ-UHFFFAOYSA-N 445.368 3.517 0 40 IHAB COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCN(C(=O)COc3ccccc3)C2)c1 19694724 OFOQZXVCWNBMRA-IBGZPJMESA-N 432.524 3.613 0 40 IHAB Cc1nc([C@H]2CCCN2C(=O)CCOc2ccc(Cl)cc2)ncc1C(=O)N1CCCC1 19755981 PCIAPSDYFLWAGZ-HXUWFJFHSA-N 442.947 3.807 0 40 IHAB Cc1nc([C@@H]2CCCN(C(=O)CCCn3c(C(C)C)nc4ccccc43)C2)ncc1C(N)=O 19763770 PARPRBAIAKSGQH-GOSISDBHSA-N 448.571 3.543 0 40 IHAB COc1ccc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1S(=O)(=O)N1CCCC1 20024793 QGVCXZGHBCJSHN-UHFFFAOYSA-N 446.422 3.890 0 40 IHAB Cc1ccccc1-c1nnc(SCC(=O)N(C)CC(=O)Nc2ccccc2Cl)n1C 21179179 TYWGLVZXMXLNGG-UHFFFAOYSA-N 443.960 3.633 0 40 IHAB CC(=O)c1ccc(-c2ccc(C(=O)O[C@H](C)C(=O)NC(=O)NCc3ccccc3)o2)cc1 21604622 PTCVFELYSOBYMG-MRXNPFEDSA-N 434.448 3.721 0 40 IHAB CN(C)[C@@H](CNC(=O)c1ccc(-n2cnc3ccccc3c2=O)cc1)c1cccc(F)c1 22754766 RSNWLXWFLKUCMT-QHCPKHFHSA-N 430.483 3.558 0 40 IHAB CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCN(c2ccccc2F)CC1 24425459 GQFLQVTZGPSDGL-FQEVSTJZSA-N 427.520 3.610 0 40 IHAB CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)c1 28813322 KEPZAXICKBKIGE-UHFFFAOYSA-N 445.518 3.938 0 40 IHAB C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)Nc1ccccc1OC(F)F 29755327 ZIJGOXNRUAVHGR-JOCHJYFZSA-N 429.423 3.616 0 40 IHAB CC(=O)c1cccc(N2C(SCc3ccc(Cl)cc3)=N[C@@H]3CS(=O)(=O)C[C@@H]32)c1 32639701 QJVLFELTPQBBMN-MOPGFXCFSA-N 434.970 3.818 0 40 IHAB Cc1ccc(NC(=O)[C@@H](C)Sc2nc3cc(Cl)ccc3c(=O)n2C[C@@H](C)O)cc1 32672258 DOWHNIQZXMNCJQ-ZIAGYGMSSA-N 431.945 3.858 0 40 IHAB Cc1noc(C)c1COc1ccc(CC(=O)NC[C@H](C)N2CCc3ccccc3C2)cc1 32800711 YDLSGYBOCICRAU-SFHVURJKSA-N 433.552 3.976 0 40 IHAB O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(C(=O)c2ccccc2)cc1 33771202 BRDOKRFIOOWEFV-DEOSSOPVSA-N 432.495 3.860 0 40 IHAB COCCOc1ccc(-c2noc([C@@H]3CCCN3Cc3cn(C)c4ccccc34)n2)cn1 35425460 RJULFYCLRSCBLU-NRFANRHFSA-N 433.512 3.986 0 40 IHAB biogenic,in-vitro Cc1nc2c(C(=O)NC3CCCC3)nc(-c3cccs3)cc2n1[C@H]1CCS(=O)(=O)C1 35682970 IXTWYYBQXUIHMB-HNNXBMFYSA-N 444.582 3.500 0 40 IHAB COc1ccc(CNC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1OC 36839444 VSHVPVSTZFKVIW-BHVBSVRVSA-N 426.557 3.527 0 40 IHAB Cc1ccccc1[C@@H](CC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)NC(N)=O 40069611 DJXAUJSFZIYWGJ-WOJBJXKFSA-N 428.602 3.745 0 40 IHAB Cc1ccc(C(=O)NCc2cc(=O)n3nc(-c4ccccc4Cl)sc3n2)cc1F 41089891 ZIDRSPRRCJCKMG-UHFFFAOYSA-N 428.876 3.849 0 40 IHAB Cc1cc(Cc2cnc(NC(=O)CN3CCSC3=O)s2)ccc1Br 48342471 FZGZNHJQKYFFNI-UHFFFAOYSA-N 426.361 3.912 0 40 IHAB COc1cc(OC)cc(C(=O)NC(=S)NCc2ccc(-c3nc4ncccc4o3)cc2)c1 57327883 ZJOMDFCDSKDVJE-UHFFFAOYSA-N 448.504 3.712 0 40 IHAB CCOc1ccccc1N1CCN(C(=O)c2snc(-c3ccc(OC)cc3)c2N)CC1 62007114 WEZRMBOBYKYPLZ-UHFFFAOYSA-N 438.553 3.762 0 40 IHAB CC[C@H]1CCCCN1c1cc(SCC(=O)NCCc2ccc(OC)c(OC)c2)ncn1 67255778 CSEFYLHAJXIMIW-SFHVURJKSA-N 444.601 3.714 0 40 IHAB NC(=O)N1CCCN(C(=O)c2sc3cccc(F)c3c2COc2ccccc2)CC1 72079706 OQARIAZZPRJAIH-UHFFFAOYSA-N 427.501 3.846 0 40 IHAB COC(=O)c1ccc(NC(=O)[C@@H](c2ccc(Cl)cc2Cl)N2CCOCC2)s1 72301009 OCIBOFMVZIRWPW-MRXNPFEDSA-N 429.325 3.854 0 40 IHAB CCc1nnc(-c2ccc(OC)c(NC(=O)[C@@H]3CC(=O)N(CC4CCCCC4)C3)c2)o1 72392137 ARRYCYUGXZEUQH-QGZVFWFLSA-N 426.517 3.675 0 40 IHAB O=C(CCCOc1cccc(F)c1)N1CCC[C@@H](c2cc(C(F)F)n3ncnc3n2)C1 72395392 NWVXWZFNGCIOME-CQSZACIVSA-N 433.434 3.766 0 40 IHAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1c[nH]c(=O)n(Cc2ccccc2F)c1=O 77099856 LQTJYSRNJFKOLE-UHFFFAOYSA-N 441.768 3.649 0 40 IHAB COc1ccc(-c2coc3c4c(cc(OC)c3c2=O)OC(=O)C[C@@H]4c2cnn(C)c2C)cc1 85877110 BSKRFMDYMZPUTN-MRXNPFEDSA-N 446.459 3.960 0 40 IHAB biogenic CC(C)(C)NS(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)OC(C)(C)C)c2ccccc2)cc1 89661612 GJDPJVMZPQAPOZ-IBGZPJMESA-N 446.569 3.576 0 40 IHAB O=C(O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)Nc3csc(-c4ccccc4)c3)cc2)C1 95459693 WTNKDDBKHDMYNG-OAHLLOKOSA-N 442.518 3.653 0 40 IHAB COc1cccc(-c2ccc3ccc(-n4ccc(C(=O)NCc5cnc(C)cn5)n4)n3c2)c1 96155452 RCFALXLZXNVHDZ-UHFFFAOYSA-N 438.491 3.829 0 40 IHAB COc1ccc(S(=O)(=O)C2CCN(C(=O)c3ccccc3Br)CC2)cc1 96376368 SZQPFCYUUWKVIV-UHFFFAOYSA-N 438.343 3.536 0 40 IHAB COc1ccc(CN(Cc2csc(-c3ccc(C)o3)n2)[C@H]2CCS(=O)(=O)C2)cc1 96765403 UBWAQTCRRFGBJV-SFHVURJKSA-N 432.567 3.909 0 40 IHAB C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 105049893 QKTAKMAVFSFXOB-YOEHRIQHSA-N 447.329 3.764 0 40 IHAB C[C@@H]1CN(CCc2cccc(NC(=O)[C@H](c3ccccc3F)N3CCOCC3)c2)C[C@@H]1C 108169083 OQEVALRCYGSVKT-DFIYOIEZSA-N 439.575 3.968 0 40 IHAB COc1ccccc1CNC(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 113961753 KHJQCIJXFLHCSJ-UHFFFAOYSA-N 444.475 3.577 0 40 IHAB COc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 139142512 ZPCOYOYHUMIZAS-LBPRGKRZSA-N 437.279 3.537 0 40 IHAB COc1ccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3ccccc3Cl)n2)c(OC)c1 219063271 ZPDMSIQSWTVAMF-ZDUSSCGKSA-N 431.876 3.833 0 40 IHAB Cc1cccc(CCCNC(=O)CN(c2ccc(C(F)(F)F)cc2)S(C)(=O)=O)c1 220048809 KKDPQWCEGUTYMY-UHFFFAOYSA-N 428.476 3.529 0 40 IHAB CSc1cccc(N(CC(=O)NCCCc2ccc(Cl)cc2)S(C)(=O)=O)c1 220070386 NINSSKFTFVIACE-UHFFFAOYSA-N 426.991 3.577 0 40 IHAB CCOC(=O)c1ccc(C)c(NC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)c1 222560959 NFTBXZJWBTXGEX-UHFFFAOYSA-N 432.542 3.665 0 40 IHAB COc1ccccc1N(CCCC(=O)NCc1ccc(Cl)cc1Cl)S(C)(=O)=O 222578528 VMPCBHYGOLWBMU-UHFFFAOYSA-N 445.368 3.865 0 40 IHAB CC(C)CSc1nnc(NC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)s1 222809362 BKIDMRAPAOZIMM-UHFFFAOYSA-N 434.996 3.588 0 40 IHAB CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CCc1ccc2c(c1)OCCO2 222942653 HQMZHKYDXNFEHY-JOCHJYFZSA-N 438.568 3.765 0 40 IHAB CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(Br)cc1 223092074 LAXYWTHLIGGEJP-LJQANCHMSA-N 433.346 3.690 0 40 IHAB COc1ccc(CN(C(=O)C(C)C)[C@H](Cc2ccccc2)C(=O)NC[C@H]2CCCO2)cc1 223273436 DLOUSXPBYRONAL-DNQXCXABSA-N 438.568 3.586 0 40 IHAB Cc1cc(C)c([C@@H](C)NC(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1C 223440445 GYUQXYOPSTYGPO-GOSISDBHSA-N 446.569 3.764 0 40 IHAB CS(=O)(=O)N(CC(=O)NCCOc1cccc2ccccc12)c1cccc2ccccc12 223520436 BHMJGVVJCLLTDA-UHFFFAOYSA-N 448.544 3.954 0 40 IHAB CC[C@@H](C(=O)NCCOc1cccc(C)c1C)N(c1ccc(Cl)cc1)S(C)(=O)=O 223938816 BHAYGLWYFSNPTB-IBGZPJMESA-N 438.977 3.697 0 40 IHAB COc1ccc(CN(C(=O)COc2ccccc2OC)[C@H](C)C(=O)NC2CCCC2)cc1 224046365 ABCIYRWUDHGQBK-GOSISDBHSA-N 440.540 3.559 0 40 IHAB CCCc1ccc(OCCNC(=O)CCCN(c2c(C)cccc2C)S(C)(=O)=O)cc1 224653263 QDTKETRZFMGENZ-UHFFFAOYSA-N 446.613 3.997 0 40 IHAB COc1ccc(OCC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC2CCCC2)cc1 224672677 XBYIADNGKPGWMG-QGZVFWFLSA-N 428.504 3.689 0 40 IHAB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2C)cc1C 225264988 BFTUKGDFAFXMKR-GOTSBHOMSA-N 449.580 3.799 0 40 IHAB CCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(NC(=O)COC)c(C)c1 225282618 VOCMVIHPOUFYLW-DHIUTWEWSA-N 449.580 3.973 0 40 IHAB CCS(=O)(=O)N(C)c1cccc(C(=O)N2c3ccc(Br)cc3C[C@@H]2C)c1 225965397 AFXJSHZKVCOYOU-ZDUSSCGKSA-N 437.359 3.826 0 40 IHAB COc1cc(C(F)(F)F)nc(NC(=S)NCC2(c3ccc(F)cc3)CCOCC2)n1 226001977 ZSSQBEWXMDLYCG-UHFFFAOYSA-N 444.454 3.678 0 40 IHAB C[C@@H]1CCCN(c2cc(Sc3ncccn3)nc(NC(=S)NC3CCCC3)n2)C1 226006101 ODIGDBUYYOJHOR-CQSZACIVSA-N 429.619 3.883 0 40 IHAB COc1ccc(NC(=O)[C@@H]2C[C@@H](CCSC)N[C@]23C(=O)Nc2c(C)cc(C)cc23)cc1 248343203 ZYNUTHFIZQWYSX-YQOVMPOYSA-N 439.581 3.829 0 40 IHAB CCCNC(=O)Cc1c(C)nc([C@@H]2CCCN(C(=O)[C@H](C)c3ccc(C)cc3)C2)nc1C 257256209 KKMIVVDQNRMJPB-XMSQKQJNSA-N 436.600 3.980 0 40 IHAB Cc1nnc(Nc2cccc([C@H]3CN(C(=O)Cn4c(C)cc5ccccc54)CCO3)n2)s1 257266195 MBYNMDUZIAJRPS-HXUWFJFHSA-N 448.552 3.848 0 40 IHAB C[C@@H]1CCCN(c2cc(N3CCCC[C@H]3C)nc(NC(=S)NC[C@H]3CCCO3)n2)C1 260712799 KDTJUBCYDWUYBH-KZNAEPCWSA-N 432.638 3.557 0 40 IHAB COc1ccc(N([C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)S(C)(=O)=O)cc1 408611159 SHQDNCPRIPWRLM-GOSISDBHSA-N 438.549 3.756 0 40 IHAB COc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)c1 408662768 XXIZGKKFDBVHST-GFCCVEGCSA-N 437.279 3.537 0 40 IHAB COc1ccc([C@@H]2[C@H](NC(=O)c3ccc(Cl)cc3)C(=O)N/[N+]2=C\c2ccc(C)cc2)cc1 409060775 VXGZGEGTFIHMPZ-LMOLPZMTSA-O 448.930 3.673 0 40 IHAB CCOc1cc2c(cc1/C=C1/SC(=O)N(CC(=O)Nc3ccc(F)cc3)C1=O)OCO2 409107071 UNJBVQXHEFGAOW-QGMBQPNBSA-N 444.440 3.628 0 40 IHAB Cc1ccccc1C(=O)N[C@H](C)c1nnc(SCC(=O)Nc2cccc(C)c2C)n1C 409348443 SRTSGRUMTZLTRF-QGZVFWFLSA-N 437.569 3.962 0 40 IHAB O=C(CCNC(=O)NCc1cc2c(nc1O)CCCC2)Nc1cc(Cl)cc(Cl)c1 1682763285 PRLSOBLOMMQKPL-UHFFFAOYSA-N 437.327 3.801 0 40 IHAB COc1ccc(C(=O)NC(=S)Nc2ccc3nn(-c4ccccc4)nc3c2)cc1OC 881484 AFSDGPQHYDRLEF-UHFFFAOYSA-N 433.493 3.565 0 40 IHAB COc1ccc(OC)c(NC(=O)CSc2nnc3c4c(C)c(C)sc4ncn23)c1 925327 LFRDXWNSMUKYDY-UHFFFAOYSA-N 429.527 3.704 0 40 IHAB COc1ccc(CNC(=O)CSc2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)cc1 1368162 DIDLWKUMOGLUTN-LBPRGKRZSA-N 429.567 3.527 0 40 IHAB O=C(Nc1nc2ccccc2s1)N[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 1447101 SKEDDHIRMFUFBO-INIZCTEOSA-N 436.946 3.882 0 40 IHAB CCOC(=O)C1=C(C)N=c2s/c(=C\C=C\c3ccccc3)c(=O)n2[C@H]1c1ccc(C)cc1 2058859 WUOXUMCZTWXYRA-CNDHBRCFSA-N 444.556 3.772 0 40 IHAB COC(=O)c1ccc(C)c(NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 3556093 JDCFQBGLWHLGRB-UHFFFAOYSA-N 430.526 3.599 0 40 IHAB COc1ccc(N2C(=O)CC[C@@H](C(=O)N3CCCC3)[C@H]2c2ccc(OC)c(OC)c2)cc1 4756644 QCFULWBMHFQTRJ-HYBUGGRVSA-N 438.524 3.819 0 40 IHAB CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2cc(OC)cc(OC)c2)CC1 6077394 YODRUDUODQHGED-UHFFFAOYSA-N 431.920 3.668 0 40 IHAB CCOCCCn1c(SCC(=O)Nc2ccccc2OCC)nc2ccccc2c1=O 6600209 BEPQNJQIWKTTAU-UHFFFAOYSA-N 441.553 3.953 0 40 IHAB COC(=O)CCCCCNC(=O)C1[C@@H](c2ccccc2)C(C(=O)OC)[C@@H]1c1ccccc1 6878988 JNHLRGWIUHMBAL-SSPWFOHLSA-N 437.536 3.823 0 40 IHAB CCC(C)(C)n1nnnc1[C@H](C(C)C)N(CCCO)Cc1cc2cc(C)ccc2nc1O 8681746 IMDBUTWSFLBRIY-NRFANRHFSA-N 440.592 3.962 0 40 IHAB COc1ccc([C@H](CNS(=O)(=O)c2c(C)noc2C)c2c[nH]c3ccccc23)cc1 8981874 USMWYCDRTGTHDR-IBGZPJMESA-N 425.510 3.892 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@@H](CC(C)C)N[C@]23C(=O)Nc2ccc(C)cc23)cc1 9058974 VORDSJCBYIFJSS-KCPMXOJXSA-N 449.551 3.982 0 40 IHAB CCOc1ccccc1NC(=O)c1nc(S(=O)(=O)Cc2ccccc2)ncc1Cl 9206512 LYTVDYUKOGNMQZ-UHFFFAOYSA-N 431.901 3.755 0 40 IHAB CCCNC(=O)c1cc(S(=O)(=O)Nc2ccc(Br)cc2F)ccc1C 9252359 OACRMHPYDJCMLM-UHFFFAOYSA-N 429.311 3.837 0 40 IHAB C[C@@H](OC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1)C(=O)Nc1ccccc1F 9283282 MECWFYHBBXZWEP-OAHLLOKOSA-N 446.434 3.806 0 40 IHAB COc1ccc(-c2nc(CSc3nnnn3-c3ccc(O)cc3)cs2)cc1OC 9465915 OFLNPWUFUQGDGR-UHFFFAOYSA-N 427.511 3.801 0 40 IHAB CCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(C(=O)c3ccccc3)cc2)cc1 9586932 XONRNBBUGHOVSD-UHFFFAOYSA-N 431.444 3.890 0 40 IHAB Cc1ccc(C(=O)[C@@H](C)OC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 9590932 RRJVFNWSEJPLLR-GDBMZVCRSA-N 430.298 3.925 0 40 IHAB CCOC(=O)c1c(NC(=O)CN(C)c2ccc3ccccc3c2)sc(C(N)=O)c1C 9632662 QARFUPNDPWCOPX-UHFFFAOYSA-N 425.510 3.560 0 40 IHAB O=C1N[C@H](c2ccc(Br)cc2)[C@@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1 9637505 CELBTHLFXVNITK-YWPYICTPSA-N 449.248 3.615 0 40 IHAB COc1ccccc1C(=O)Cn1c(=O)c(=O)n(Cc2ccccc2)c2ccc(Cl)cc21 9836645 UCZLYDKFKOLYKX-UHFFFAOYSA-N 434.879 3.756 0 40 IHAB C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)Nc2ccc(F)c(F)c2)C1=O 9963968 YJODLUFTBWDQLQ-SFHVURJKSA-N 428.222 3.677 0 40 IHAB COc1ccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)cc2)cc1 10007620 HGQCHMPXBGPWOP-UHFFFAOYSA-N 440.521 3.846 0 40 IHAB Cc1cccc(CSCCNC(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)c1 10371610 PAFUGHGXHDLLKJ-LJQANCHMSA-N 434.627 3.816 0 40 IHAB Cc1c(Cl)cccc1NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 11767869 DRSMTINRLRBABL-UHFFFAOYSA-N 438.841 3.960 0 40 IHAB COc1ccc(S(=O)(=O)N2CCn3cccc3[C@H]2c2ccc(Cl)cc2)cc1OC 12361411 CFASXMJVKVUNQB-OAQYLSRUSA-N 432.929 3.953 0 40 IHAB CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)C[C@@H]1Sc2ccccc2NC1=O 12425063 FQRMVUCWVNAMLH-IBGZPJMESA-N 426.538 3.860 0 40 IHAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccc(N3CCCCC3)c3ccncc13)C2=O 12554054 NYPPYNZVHBINSM-NSYGIPOTSA-N 449.555 3.664 0 40 IHAB CCn1c(CSc2nnc(C3CC3)o2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 12582501 JVAVHDCWDJIQQL-UHFFFAOYSA-N 447.586 3.784 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc(F)ccc1Br 12731299 GZMAHGPCOAEONY-UHFFFAOYSA-N 427.295 3.625 0 40 IHAB CCc1ccccc1NC(=O)CN1CCN(C(=O)CCc2ccc(C)c(Cl)c2)CC1 12765549 PFJBGEGMRRVQAQ-UHFFFAOYSA-N 427.976 3.926 0 40 IHAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)/C=C/c1ccc(Cl)c(Cl)c1 12889524 OMASJCANDWSRFU-VQHVLOKHSA-N 432.307 3.918 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCSc4c(F)cccc43)CC2)cc1 12983302 XVYZWDYPFCUDLE-HXUWFJFHSA-N 448.585 3.888 0 40 IHAB COc1cc2nc(CSc3nc(C4CC4)n(-c4ccccc4)n3)[nH]c(=O)c2cc1OC 13109761 GZCXNLGCBKOVPX-UHFFFAOYSA-N 435.509 3.691 0 40 IHAB Cc1occc1-c1nnc(SCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)n1C 13128417 KAEOLEQBUKJUAT-KRWDZBQOSA-N 440.525 3.611 0 40 IHAB Cc1cc(Br)ccc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 13518988 OCJWZURHCHEMFL-UHFFFAOYSA-N 437.359 3.797 0 40 IHAB O=c1[nH]c2cc3c(cc2cc1CNc1ccc(N(CCO)Cc2ccccc2)cc1)OCO3 13563111 OIKQKSIOQRJNNS-UHFFFAOYSA-N 443.503 3.868 0 40 IHAB O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1ccc(CN2CCOCC2)cc1 14183791 KHUNKVTWBFXRJV-UHFFFAOYSA-N 430.430 3.976 0 40 IHAB O=C(NCCN1C(=O)S/C(=C\c2ccc(OC(F)F)cc2)C1=O)c1cccc(F)c1 14686824 VHHISWVNHQFJBG-YBEGLDIGSA-N 436.411 3.893 0 40 IHAB O=C(Cc1cc(Cl)c2c(c1)OCCO2)Nc1ccccc1C(=O)NCc1ccco1 14704070 ZPGKCFXJIBOCBY-UHFFFAOYSA-N 426.856 3.815 0 40 IHAB O=C(Nc1ccc(N2CCCC2)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 14910586 AQKPEXGYLMNFED-UHFFFAOYSA-N 433.961 3.977 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)N3CC(=O)Nc4ccccc43)cc2)c1 15912257 VYPITUPOBUQBNI-UHFFFAOYSA-N 436.489 3.670 0 40 IHAB CC1CCC(NC(=O)c2cccnc2SCC(=O)Nc2ccc3c(c2)OCO3)CC1 15949412 BQSRUDAPJYQDLI-UHFFFAOYSA-N 427.526 3.850 0 40 IHAB O=C(COc1ccc(N2CCCC2=O)cc1)OCc1nnc(-c2ccc(Cl)cc2)o1 16465030 CWFOUKBVTVZVGD-UHFFFAOYSA-N 427.844 3.639 0 40 IHAB Cc1ccc(O[C@@H](C)C(=O)N2CCC[C@@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)c(C)c1 19132697 HISOERSCNDITRL-XWTMOSNGSA-N 433.503 3.591 0 40 IHAB CC(C)NC(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)[C@H]2CCCO2)C1 19449181 PXQROFUBNLVRQE-QPPBQGQZSA-N 426.582 3.880 0 40 IHAB CCNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CCCN(C(=O)Cc2ccccn2)C1 19528543 GLIUIXILGATZBL-MHZLTWQESA-N 442.563 3.674 0 40 IHAB Cc1nnc(NC(=O)[C@@H](C)Sc2ccc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)O)cc2)s1 19644918 LFKPGRILDNNERB-RLCCDNCMSA-N 446.554 3.571 0 40 IHAB CCn1nc(C)c(CN2CCO[C@@H](c3nc(N(C)C)ncc3-c3ccc(F)cc3)C2)c1C 19692960 XEDHPKYAIQGNDX-JOCHJYFZSA-N 438.551 3.755 0 40 IHAB CNC(=O)c1sc2ncccc2c1[C@@H]1CN(Cc2ccc3c(c2)CC(C)(C)O3)CCO1 19703321 LBLQZKICVLKTEX-IBGZPJMESA-N 437.565 3.943 0 40 IHAB CC(C)NC(=O)c1sc2ncccc2c1[C@H]1CN(Cc2cnc(C(C)C)nc2)CCO1 19703345 ZMOMQGJOPZRJTM-GOSISDBHSA-N 439.585 3.921 0 40 IHAB COc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1 20018746 IULYEELRWNINML-KRWDZBQOSA-N 446.569 3.562 0 40 IHAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccc(Cl)c2)N1CCCN1CCOCC1 20219618 RAZQWDWTVSGIHY-NRFANRHFSA-N 438.911 3.714 0 40 IHAB Cc1ccc([C@@H](c2nnnn2Cc2cccs2)N2CCN(Cc3ccccc3)CC2)cc1 22929754 DMUJEALJOQDOCM-DEOSSOPVSA-N 444.608 3.999 0 40 IHAB C[C@]1(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)Cc2ccccc2C(=O)O1 24049265 NIVQNAYNEQIGSB-AREMUKBSSA-N 428.488 3.769 0 40 IHAB Cc1ccc(NC(=O)CSCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 29482224 JXVOVPKDANAEKI-IBGZPJMESA-N 426.538 3.802 0 40 IHAB CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)[C@@H]1CCS(=O)(=O)C1 32768306 YUOHOUTWMKDMRS-QGZVFWFLSA-N 443.956 3.586 0 40 IHAB O=C(NCc1ccccc1)[C@H](c1cccnc1)N(C(=O)c1cnccn1)c1ccc(F)cc1 35291049 MWGFEDUTGQQIDD-QHCPKHFHSA-N 441.466 3.715 0 40 IHAB COc1ccc(NC(=O)Cn2cnc3c(-c4ccc(F)cc4)csc3c2=O)c(OC)c1 38486553 ASOQUKGMNMFPNH-UHFFFAOYSA-N 439.468 3.920 0 40 IHAB CCOC(=O)c1sc(-c2ccc3c(c2)OCO3)cc1NC(=O)CCNC(=O)C(C)(C)C 40050500 WQLCNBFTCDIKPH-UHFFFAOYSA-N 446.525 3.811 0 40 IHAB COc1ccc(OC)c(CNC(=O)c2ccc(CS(=O)(=O)c3ccc(Cl)cc3)o2)c1 51317305 IUKMDHZCUPQVGD-UHFFFAOYSA-N 449.912 3.854 0 40 IHAB Cc1nc(-c2cccs2)sc1C(=O)N1CCN(c2ccc(-c3cccnc3)nn2)CC1 56903492 GRSJGKSCOREQHX-UHFFFAOYSA-N 448.577 3.994 0 40 IHAB CN(C(=O)CSc1nc2cc3c(cc2c(=O)n1Cc1ccco1)OCO3)c1ccccc1 57504683 KBTYDVZXIGKPRF-UHFFFAOYSA-N 449.488 3.522 0 40 IHAB COC(=O)C1=C(c2ccc(Cl)cc2)Nc2ncnn2[C@@H]1c1ccc(OC)c(OC)c1 59227933 FCPWJJWVXPQCIE-LJQANCHMSA-N 426.860 3.548 0 40 IHAB CC(C)C[C@H](NC(=O)[C@@H](N[C@H](CO)c1ccccc1)C(C)C)C(=O)Nc1ccccc1 71788325 ZQVWSJFZTHUZSC-ZRBLBEILSA-N 425.573 3.504 0 40 IHAB Cc1cnc(C(=O)N2CCC3(CC2)C[C@]2(CO3)Nc3cc(Cl)ccc3-n3cccc32)cn1 72327341 LGWWANVWVOASJL-XMMPIXPASA-N 449.942 3.945 0 40 IHAB Cc1ccc(OC(C)(C)C(=O)N2CCC([C@@H]3C[C@H](C(F)F)n4ncnc4N3)CC2)cc1 72395695 CUDPBPLAIFYIDK-ZWKOTPCHSA-N 433.503 3.673 0 40 IHAB CC(=O)Nc1ccc(NC(=O)Cn2cc(OCc3ccccc3Cl)c(=O)cc2C)cc1 79482481 DLUFVSVOLUAZJP-UHFFFAOYSA-N 439.899 3.986 0 40 IHAB CCc1ccc2c(CN3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)cc(=O)oc2c1 89286854 SQNYCUIEYRSNRS-UHFFFAOYSA-N 446.956 3.515 0 40 IHAB COC(=O)/C(=C/Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(C(C)(C)C)cc1 100025799 REIGNGZUWDVQJS-ZHZULCJRSA-N 431.510 3.656 0 40 IHAB CC1(C)C[C@@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 219755840 AWQPQNQOXYYIAF-MOPGFXCFSA-N 448.972 3.912 0 40 IHAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)NCc2cccc3ccccc23)cc1 222659468 CGEFTOSRXGZZQE-KRWDZBQOSA-N 426.538 3.612 0 40 IHAB COC(=O)c1ccc(NC(=O)CCCN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1 222664005 MGYVTBWKHZEEJI-UHFFFAOYSA-N 438.933 3.620 0 40 IHAB Cc1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1N(C)S(C)(=O)=O 222684493 BQHNEJUVIMCEGO-UHFFFAOYSA-N 436.946 3.815 0 40 IHAB CCc1ccc(OCCNC(=O)CCCN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 224054574 OKGAEQUKSNOHNV-UHFFFAOYSA-N 432.586 3.607 0 40 IHAB CC(=O)Nc1cccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(F)cc3)c2)c1 224176775 ZXTQUMBXKAVSQO-UHFFFAOYSA-N 441.484 3.862 0 40 IHAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)COc1ccccc1OC 224555376 CCXRKXYMBJOYBT-OAQYLSRUSA-N 426.557 3.962 0 40 IHAB COc1ccc(S(=O)(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1NC(C)=O 224912748 RODJBQLAYRRAAN-UHFFFAOYSA-N 438.918 3.626 0 40 IHAB COc1ccc(S(=O)(=O)NCCSC2CCCC2)cc1C(=O)N1CCCCCC1 224954094 PKKLSTZTCSEVAW-UHFFFAOYSA-N 440.631 3.666 0 40 IHAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccco2)ccc1NS(C)(=O)=O 225444232 CCYNQOVZKKRCPP-RBUKOAKNSA-N 428.539 3.532 0 40 IHAB CN(C)C(=O)[C@@]1(c2ccccn2)CCCN(Cc2cccc(OCc3cccnc3)c2)C1 257207788 BJGDEWDWTYKSLC-SANMLTNESA-N 430.552 3.678 0 40 IHAB CCN1CCC(CC(=O)N2CCO[C@H](c3cc(Nc4cccc(C)n4)cc(C)n3)C2)CC1 257233185 GOESMZPBBOPXGB-QHCPKHFHSA-N 437.588 3.859 0 40 IHAB Cc1nc(CN2C(=O)C3(CCN(C(=O)Nc4ccccc4)CC3)Nc3cccnc32)cs1 306123920 BALMZRPNAWZGMG-UHFFFAOYSA-N 448.552 3.872 0 40 IHAB CN(C)C(=O)N1CCC[C@@H]1c1nc(C(=O)NCc2ccc(Cl)cc2)c2ccccn12 306131784 KPOHJLWNMZLKAH-GOSISDBHSA-N 425.920 3.736 0 40 IHAB COC(=O)CN1C(=O)N/C(=C/c2c(OCc3ccc(C)cc3)ccc3ccccc23)C1=O 408548298 FWVZPFKOEZOVGJ-FYJGNVAPSA-N 430.460 3.793 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(F)cc3)C2)cc1Cl 408636198 XXEBLQAULVVOLG-CQSZACIVSA-N 440.924 3.917 0 40 IHAB Cc1cc(NC(=O)COC(=O)CCC(=O)Nc2ccc(F)cc2)ccc1Br 408648102 CEDCBZQRXWQPEK-UHFFFAOYSA-N 437.265 3.797 0 40 IHAB Cc1cc(C)cc(N2C[C@@H](C(=O)Oc3ccc(N4C(=O)CCCC4=O)c(C)c3)CC2=O)c1 408672977 VWOBRURZPJARCU-SFHVURJKSA-N 434.492 3.614 0 40 IHAB Cc1ccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3cccc(F)c3C)n2C)cc1 409148034 WYSACUFRLNLNSS-OAHLLOKOSA-N 441.532 3.793 0 40 IHAB O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl)Nc1ccccc1 409271787 NDKWOIIRAJKBCV-UHFFFAOYSA-N 430.913 3.836 0 40 IHAB O=C1COc2cc(NC(=O)NCc3ccc(CN4CCc5ccccc54)cc3)ccc2N1 511337383 IZCMMFXCVOTFKZ-UHFFFAOYSA-N 428.492 3.902 0 40 IHAB CCOc1ccc(C(=O)NCC(=O)Nc2ccc(-c3nccc(C)n3)cc2)cc1OCC 545187704 SECQOJVCHIMUIC-UHFFFAOYSA-N 434.496 3.618 0 40 IHAB CN1CCN(S(=O)(=O)c2cc(Br)ccc2Cl)[C@H](c2ccccc2)C1 589888285 WCKZUTLEROFEFL-INIZCTEOSA-N 429.767 3.780 0 40 IHAB Cc1ccc(C(=O)N[C@H](CC(=O)NC[C@H](CO)Cc2ccccc2)c2ccccc2)cc1 605544092 FEJRJOYZJSIXMT-RCZVLFRGSA-N 430.548 3.824 0 40 IHAB Cc1ccc(S(=O)(=O)N(Cc2cc3cc(C)c(C)cc3[nH]c2=O)C[C@H]2CCCO2)cc1 915003 NNJNFYZIEKBKSM-OAQYLSRUSA-N 440.565 3.823 0 40 IHAB COc1ccc2nc(SCC(=O)Nc3ccc(S(=O)(=O)N(C)C)cc3)c(C)cc2c1 933008 NRTCXOOHZNEUCR-UHFFFAOYSA-N 445.566 3.533 0 40 IHAB Cc1cc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc(C)c1Cl 942843 OZJBSMPIBOAVTQ-UHFFFAOYSA-N 446.916 3.565 0 40 IHAB COc1ccc([C@H]2C(C(=O)OC3CCCCC3)=C(C)Nc3nnnn32)cc1Br 1291833 ZSNGYJXAGQCRGG-KRWDZBQOSA-N 448.321 3.609 0 40 IHAB CCOc1ccc(NC(=O)c2ccc(NC(=O)[C@H](c3ccccc3)n3cnnn3)cc2)cc1 2651875 ORTAGMMLZZZNFB-QFIPXVFZSA-N 442.479 3.552 0 40 IHAB CCOc1ccc(C(=O)NCC(=O)OCC(=O)c2c(C)cc(C)cc2C)cc1OCC 3334805 NRZYNFZCKRMFMH-UHFFFAOYSA-N 427.497 3.565 0 40 IHAB Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(S(=O)(=O)c2cccs2)C1 8297935 HTHLPCJPYRWTGU-DLBZAZTESA-N 426.563 3.693 0 40 IHAB biogenic,in-vitro CCCNC(=O)[C@H]1CN(CC(=O)N[C@@H](c2ccccc2)c2cccs2)c2ccccc2O1 8710393 XOPLEFXKOPWWSC-QPPBQGQZSA-N 449.576 3.748 0 40 IHAB CC(C)n1c(SCC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)nc2ccccc21 9112954 BMAFDIORWKKOGS-GOSISDBHSA-N 443.594 3.930 0 40 IHAB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nc(C(F)(F)F)nn32)cc1O 9540011 OWHMBGVHPVGYDJ-KRWDZBQOSA-N 445.401 3.939 0 40 IHAB COc1ccc(-n2ccnc(SCC(=O)Nc3cc(Cl)ccc3OC)c2=O)cc1 10272702 ZWZGUWVIOOPTKB-UHFFFAOYSA-N 431.901 3.634 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O 10333192 YLHCTZDQACDJQD-UHFFFAOYSA-N 432.542 3.665 0 40 IHAB Cc1ccc(N2N=C(C(=O)O[C@H](C)C(=O)N3CCc4ccccc43)CCC2=O)cc1Cl 11954783 UYIJWTLLDUPXHU-OAHLLOKOSA-N 439.899 3.652 0 40 IHAB C[C@H]1CN(c2ncc3c(n2)CC(C)(C)C[C@@H]3NC(=O)CCc2ccccc2F)C[C@@H](C)O1 12240711 ILFUZYLDOBZFAA-FVJLSDCUSA-N 440.563 3.992 0 40 IHAB COc1ccccc1C(=O)N/C(=C\c1cn(C)c2ccccc12)C(=O)NCc1ccccn1 12324764 PYOGANVERRBONU-JCMHNJIXSA-N 440.503 3.669 0 40 IHAB CCN(Cc1ccc(Br)s1)C(=O)CSc1nnc2n1CCCCC2 12685610 FRROWEPYBDEHNB-UHFFFAOYSA-N 429.409 3.969 0 40 IHAB Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3sccc3C(N)=O)c3ccccc3n2)o1 12811431 PFUXCITYGGSSIR-UHFFFAOYSA-N 435.461 3.759 0 40 IHAB O=C(COc1ccc(-c2nccc(-c3ccccn3)n2)cc1)NCc1ccc2c(c1)OCO2 12961578 IIYLCPRXAPFVQJ-UHFFFAOYSA-N 440.459 3.630 0 40 IHAB O=C(CCNS(=O)(=O)c1ccccc1)NCc1ccc(Oc2ccc(F)cc2)cc1 12993451 NEMZGEZRVQRBGW-UHFFFAOYSA-N 428.485 3.603 0 40 IHAB Cc1ccc(NC(=O)CCc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3n2C)cc1 13058156 PPJZYEKNSOEBGD-UHFFFAOYSA-N 440.569 3.628 0 40 IHAB CSc1nc(C)c(CCC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c(C)n1 13120810 QUUDYEZKNMUKQR-UHFFFAOYSA-N 448.614 3.561 0 40 IHAB O=C(CCc1ccccc1)N(Cc1ccc2c(c1)OCO2)Cc1nc2ccccc2c(=O)[nH]1 13511327 PQEPSXVKVZDIGT-UHFFFAOYSA-N 441.487 3.813 0 40 IHAB Cc1occc1-c1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)n1Cc1ccco1 13512184 DBAIHMDOGWBLFJ-UHFFFAOYSA-N 438.465 3.947 0 40 IHAB Cc1ccc2[nH]c(=O)c(CN(C[C@@H]3COCCO3)C(=O)Nc3ccccc3Cl)cc2c1 13512929 LEIQDDOALQMSHS-GOSISDBHSA-N 441.915 3.939 0 40 IHAB COC(=O)c1ccc(NC(=O)CSc2nnc(-c3cc(OC)cc(OC)c3)s2)cc1 13519076 JXNULJJCDCKIIF-UHFFFAOYSA-N 445.522 3.740 0 40 IHAB CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc4c(c3)OCCO4)cc2Cl)CC1 14273444 ABTGRTSHHTXSDX-UHFFFAOYSA-N 443.931 3.812 0 40 IHAB Cc1ccc(NC(=O)C[C@@H]2C(=O)N[C@H]3CCCC[C@H]3N2C(=O)c2cccs2)cc1Cl 14608533 KGKZYLYLFMCUMG-RCCFBDPRSA-N 445.972 3.991 0 40 IHAB CC(C)(C)c1ccc(-c2csc(NC(=O)CN3CCN(c4ncccn4)CC3)n2)cc1 14787713 KEPCIWKNKNGFKU-UHFFFAOYSA-N 436.585 3.658 0 40 IHAB COc1cccc(CCNC(=O)c2cc3cccnc3n(Cc3ccc(F)cc3)c2=O)c1 15883365 PESFRXJKKLXGHC-UHFFFAOYSA-N 431.467 3.565 0 40 IHAB Cc1ccc(N(C(=O)c2csnn2)[C@@H](C(=O)NCc2ccccc2)c2ccccn2)cc1 15935477 BUPWBCNNAHWKOY-JOCHJYFZSA-N 443.532 3.946 0 40 IHAB NC(=O)c1c(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)sc2c1CCC2 16477672 JFBHKABWYLBOHH-UHFFFAOYSA-N 435.574 3.981 0 40 IHAB COc1ccc(-c2nnc(SCC(=O)Nc3cccc4ccccc34)n2N)cc1OC 16756092 IVWQGJZAHPPEKY-UHFFFAOYSA-N 435.509 3.560 0 40 IHAB COc1cccc(-c2ccc(=O)n(Cc3nc(-c4cccc(Br)c4)no3)n2)c1 16844820 NSBRRLIVCLAOJD-UHFFFAOYSA-N 439.269 3.780 0 40 IHAB COc1ccc(OC)c(NC(=O)Cn2cnc3c(sc4cccc(Cl)c43)c2=O)c1 16944431 SZJXRLPUCQSRHA-UHFFFAOYSA-N 429.885 3.921 0 40 IHAB COc1cccc(C(=O)N2CCN(c3nc(C)cc(Nc4ccc(C)cc4)n3)CC2)c1OC 17042626 KZFMAZSYOUREDX-UHFFFAOYSA-N 447.539 3.817 0 40 IHAB CC(=O)N[C@H](C)c1ccc(C(=O)CN2CCC3(CC2)CC(=O)c2cc(C)ccc2O3)cc1 19218332 RRVCUEDSPIZSIP-GOSISDBHSA-N 434.536 3.875 0 40 IHAB Cc1cnc(C(=O)N2CCC[C@@](Cc3cccc(-c4cccc(F)c4)c3)(C(N)=O)C2)cn1 19238852 HUYGZEOFBDMTRZ-VWLOTQADSA-N 432.499 3.542 0 40 IHAB CC(C)CNC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)c2cnccn2)C1 19447302 IVSSOJKMPOLLJJ-HHHXNRCGSA-N 442.563 3.991 0 40 IHAB CCCOc1cc2c(cc1CN1CCC(NC(C)=O)(c3ccccc3F)CC1)OCO2 19503834 LYHYANTTYHEXNM-UHFFFAOYSA-N 428.504 3.971 0 40 IHAB Cc1nc([C@H]2CCCCN2C(=O)CC2(O)CCCCC2)nc2c1CCC(=O)N2CC1CC1 19741241 HRFQZOBBOQESNU-HXUWFJFHSA-N 440.588 3.613 0 40 IHAB Cc1nc([C@@H]2CCN(S(=O)(=O)C3CCCC3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 19766189 HAUAPRQVAIFHKQ-OAHLLOKOSA-N 448.976 3.752 0 40 IHAB CC[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1)c1ccc(C)cc1 20110842 MYCILIQUKLBTPG-DENIHFKCSA-N 430.570 3.672 0 40 IHAB Cc1nc(COc2ccc(C(=O)N3CCN(Cc4cccc(Cl)c4)CC3)cc2)no1 21381803 DERSAOMFBDDTDO-UHFFFAOYSA-N 426.904 3.568 0 40 IHAB Cc1ccc(C(C)C)c(OCCNC(=O)c2nc(-n3cnnc3)ccc2Br)c1 21721293 BWNJMMJLGNLSFR-UHFFFAOYSA-N 444.333 3.665 0 40 IHAB COc1cc(CNc2nnnn2C)cc(Br)c1OCc1ccccc1Cl 22112006 DTTFAPKUAGMQAV-UHFFFAOYSA-N 438.713 3.826 0 40 IHAB C[C@H](c1ccc(F)cc1)N(C)C(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 22435729 MXAJUZZWMOUYDU-QGZVFWFLSA-N 433.549 3.903 0 40 IHAB COc1ccccc1Oc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1 22828024 PYMZJVMLSWNWNQ-UHFFFAOYSA-N 438.549 3.994 0 40 IHAB COc1ccccc1CNC(=O)Cc1cc(O)nc(SCc2cccc(Cl)c2)n1 23138286 XCRCJSVGAQGRPL-UHFFFAOYSA-N 429.929 3.995 0 40 IHAB O=C(c1ccccc1)c1ccccc1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 24572794 YADCCQAKVPDRIA-UHFFFAOYSA-N 428.488 3.604 0 40 IHAB CCOC(=O)N1CCN(C(=O)c2cc(-c3cccs3)n(-c3ccc(F)cc3F)n2)CC1 24585137 LHXBTMXCUDZTMM-UHFFFAOYSA-N 446.479 3.793 0 40 IHAB CCOC(=O)c1sc(NC(=O)CSc2nc3ccsc3c(=O)n2CC)cc1C 27840120 NDKGXFPNEGEHSU-UHFFFAOYSA-N 437.568 3.755 0 40 IHAB COc1cc(NC(=O)c2ccc3c(=O)n(-c4ccccc4OC)cnc3c2)cc(OC)c1 32069920 FXHJYXBNMDJTIJ-UHFFFAOYSA-N 431.448 3.664 0 40 IHAB COc1cc(OC)c([C@H]2CC(O)=Nc3c2c(C)nn3-c2ccc(Cl)nn2)cc1OC 32096956 WKIBCGGWIFTWKE-GFCCVEGCSA-N 429.864 3.774 0 40 IHAB CS(=O)(=O)Nc1cccc(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)c1 32722327 MXXOUZFLXKUNEW-UHFFFAOYSA-N 427.507 3.858 0 40 IHAB CC(C)Oc1ccc(-c2noc(CCn3nc(-c4ccc5c(c4)OCO5)ccc3=O)n2)cc1 33309732 CZWGJDPSOQAJSA-UHFFFAOYSA-N 446.463 3.719 0 40 IHAB CC(=O)Oc1ccccc1/C=C1\C(=O)N(c2ccc(Br)cc2)C(=O)N=C1O 33792269 ONIUALIHAVZNBS-GDNBJRDFSA-N 429.226 3.881 0 40 IHAB COc1ccc(SCC(=O)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 36648623 LSRJXVLBTBSJGU-UHFFFAOYSA-N 425.476 3.940 0 40 IHAB COc1ccc(-c2nc(CNC(=O)[C@H](C)n3nc(-c4ccccc4)ccc3=O)cs2)cc1 42381012 UJRVZQCJRICYGJ-INIZCTEOSA-N 446.532 3.920 0 40 IHAB CC1CCN(Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)CC1 44844228 GWEWTQVAFRJNAI-UHFFFAOYSA-N 441.597 3.955 0 40 IHAB O=C(NCc1ccc(N2CCCCCC2)nc1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 48249333 IXUUHYBKCBTMPP-NRFANRHFSA-N 438.547 3.770 0 40 IHAB COc1ccc([C@H]2CC(=O)N(c3ccc(F)c(F)c3)c3c2sc(=O)n3C)cc1OC 49546217 FQKXBTWKTCSRNO-CYBMUJFWSA-N 432.448 3.943 0 40 IHAB CCc1ccccc1NC(=O)Cn1c(=O)n(-c2cc(C)cc(C)c2)c(=O)c2ccccc21 51316092 KDDGJSPIZZVJIH-UHFFFAOYSA-N 427.504 3.970 0 40 IHAB CCc1ccc([C@@H]2NC(=O)NC(CN3CCC(Cc4ccccc4)CC3)=C2C(=O)OC)cc1 57415158 PQRSQJSSGCSWLR-VWLOTQADSA-N 447.579 3.985 0 40 IHAB COc1ccc(CCCNC(=O)c2ccccc2I)cc1OC 65086252 FWQVZOSWVNKFSM-UHFFFAOYSA-N 425.266 3.671 0 40 IHAB CCN1CCN(C(=O)CCc2cc(OC)no2)[C@@H](Cc2ccc(-c3ccccc3)cc2)C1=O 72351398 JJQZFMCEVXWSSE-QHCPKHFHSA-N 447.535 3.585 0 40 IHAB CCOC(=O)C[C@H](OC(=O)c1cccc(OCC(N)=O)c1)c1cc(Cl)cc(Cl)c1 78989204 HXQMOJBZOPDXFF-KRWDZBQOSA-N 440.279 3.709 0 40 IHAB Cc1cc(=O)oc2cc(OCc3ccc(C(=O)N4CC[C@H]5CCN(C)C[C@H]54)cc3)ccc12 95995832 PHHBXESXRAPPAS-AUSIDOKSSA-N 432.520 3.847 0 40 IHAB CCN1CC[C@@]2(CN(Cc3cccnc3)CC23CCN(Cc2ccc(F)cc2)CC3)C1=O 96036469 QHOWOTDPGYPFQG-AREMUKBSSA-N 436.575 3.557 0 40 IHAB CN1CCN(C(=O)C[C@H]2CC3(CCN(C(=O)c4cccs4)CC3)c3ccccc32)CC1 96242248 IPIAOSQXGNKQJV-IBGZPJMESA-N 437.609 3.574 0 40 IHAB Cc1nc(-c2cccs2)sc1CNC(=O)c1ccc(=O)n(Cc2cccc(F)c2)n1 96342491 UFZNEJAOCUUGMB-UHFFFAOYSA-N 440.525 3.854 0 40 IHAB CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]2[C@H]2CCCN21 101409649 FPNPKKNUBZDJTB-WKVINZIJSA-N 449.938 3.642 0 40 IHAB Cc1cccc(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1 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442.512 3.601 0 40 IHAB CC[C@@H](C(=O)Nc1nnc(SC(C)C)s1)N(c1cccc(C)c1)S(C)(=O)=O 224146632 PCETYNYQJVILIQ-AWEZNQCLSA-N 428.605 3.530 0 40 IHAB COc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)N(C)c3ccc(F)cc3)c2)cc1 224177213 UUYVHODSKFQFMM-UHFFFAOYSA-N 442.512 3.932 0 40 IHAB CCCSc1nnc(NC(=O)[C@H](CC)N(c2ccc(C)c(C)c2)S(C)(=O)=O)s1 224181952 XLVHGUYDYAOQAB-HNNXBMFYSA-N 442.632 3.840 0 40 IHAB CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(OC)c(OC)c1 224770174 PXDMEAIUNZGYIR-IBGZPJMESA-N 426.557 3.888 0 40 IHAB O=C(CCC(=O)c1ccc(Cl)cc1)NC1CCN(c2cc(C(F)(F)F)ncn2)CC1 244955805 GAKXWHNQHDKFIO-UHFFFAOYSA-N 440.853 3.897 0 40 IHAB Cc1cc(C)cc(C2(C(=O)N3CCOC[C@H](Cc4nccn5cccc45)C3)CCOCC2)c1 257302284 SCHQKMYRIHNJPZ-JOCHJYFZSA-N 447.579 3.717 0 40 IHAB Cc1noc(C)c1-c1ccc2ccn(CC(=O)N[C@H](CO)Cc3ccc(Cl)cc3)c2n1 257308411 TWPUEJMDWZFLAG-IBGZPJMESA-N 438.915 3.681 0 40 IHAB Cc1cc(-c2cncnc2)cc([C@H]2CN(C(=O)CC3CC(C)(C)NC(C)(C)C3)CCO2)n1 257337076 YRGSKEPTCXYJFD-JOCHJYFZSA-N 437.588 3.694 0 40 IHAB 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IHAB CCOC(=O)[C@H](C)Sc1nc2c(c(=O)n1-c1ccc(Br)cc1)SCC2 2496939 HGYHKUNBWJFZPR-JTQLQIEISA-N 441.372 3.687 0 40 IHAB CCC[C@@H](C)COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc2c(cc1Br)OCO2 4065754 OAVZHJPJKVQRTE-BMLIUANNSA-N 439.306 3.785 0 40 IHAB CC1=C(C(=O)O[C@@H]2CCC[C@@H]2C)[C@@H](c2cc3c(cc2Br)OCO3)NC(=O)N1 4066619 PXOBGQLVURFQNO-VNQQYTOKSA-N 437.290 3.538 0 40 IHAB CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(C(C)C)cc3)cc2)CC1 4121627 KMBRMWXOPARNQO-UHFFFAOYSA-N 438.597 3.995 0 40 IHAB COC(=O)C1=C2N(C)c3ccccc3N2C(=O)N[C@@]1(c1ccc(OC)cc1)C(F)(F)F 9119801 OQCANTKETHVMAQ-HXUWFJFHSA-N 433.386 3.517 0 40 IHAB COC(=O)c1ccsc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1 9278581 HBQRJSCOSADHBR-UHFFFAOYSA-N 430.507 3.896 0 40 IHAB Cc1cc(C(=O)COC(=O)CCS(=O)(=O)c2ccccc2)c(C)n1Cc1ccccc1 9465648 KGAOQHNJRBKNTN-UHFFFAOYSA-N 439.533 3.743 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(Br)o1 9490972 ULOHDRUTEROPGP-UHFFFAOYSA-N 427.320 3.777 0 40 IHAB COc1cccc(C(=O)Nc2ccc(-n3c(C)nc4ncccc4c3=O)cc2C)c1OC 9823867 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O=C(NCc1ccco1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2ccccc2c1 33018834 YQMHKAUSRLXNJO-QHCPKHFHSA-N 434.517 3.639 0 40 IHAB CCCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(Cl)cc2Cl)cc1 33705170 QTZPGRXDQWYRPR-UHFFFAOYSA-N 445.368 3.767 0 40 IHAB O=C(COc1ccc(Cl)cc1)Nc1ccc(C(=O)N2CC(=O)Nc3ccccc32)cc1 36391302 VVENJSBOAKYTOW-UHFFFAOYSA-N 435.867 3.956 0 40 IHAB COc1ccc(-c2cc3c4nnc(SCC(=O)Nc5ccccc5)n4ccn3n2)cc1 38486988 UANFRKMSJIFBPH-UHFFFAOYSA-N 430.493 3.783 0 40 IHAB COc1cc(CNC(=O)CCN2C(=O)[C@@H](C)Oc3ccccc32)ccc1OC1CCCC1 40121347 YCJCGWKTXOTVNJ-QGZVFWFLSA-N 438.524 3.837 0 40 IHAB CCN1c2ccc(F)cc2C(=O)NC12CCN(C(=O)c1ccc(Br)cc1)CC2 49410071 XVXYWHVQSWFDCH-UHFFFAOYSA-N 446.320 3.790 0 40 IHAB O=C([C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1)N1CCN(c2ccc(Cl)cc2)CC1 57416621 ADAHNNBDFQZWTA-CQSZACIVSA-N 436.314 3.834 0 40 IHAB COc1ccccc1CNC(=O)Cn1cccc1-c1nc(-c2ccc(OC)c(OC)c2)no1 57487207 ATKPGQWZHXPLIZ-UHFFFAOYSA-N 448.479 3.547 0 40 IHAB CC(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)cc1 58434074 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O=C(CNC(=O)OCc1ccccc1)NCCCOc1ncc(C(F)(F)F)cc1Cl 89836615 ATCBHIVVAMTSGE-UHFFFAOYSA-N 445.825 3.565 0 40 IHAB CCC(=O)N1CCc2nc3cc([C@H]4CCCCN4Cc4ccsc4)nn3c(O)c2C1 100234000 NIHRHOVCNLTRAS-LJQANCHMSA-N 425.558 3.518 0 40 IHAB CN1C(=O)[C@]2(Nc3ccccc3C(=O)N2C[C@@H](c2cccs2)N(C)C)c2ccccc21 101643054 CJWHWJASGPDMJK-RDPSFJRHSA-N 432.549 3.748 0 40 IHAB COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1)[C@H]1CCSC1 108072023 YUOVSKVBIIHUEM-DOTOQJQBSA-N 435.640 3.941 0 40 IHAB C[C@H](OC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)C(=O)N[C@@H]1CCCC[C@@H]1C 108322904 RVEDZZUDBQELOL-RLFYNMQTSA-N 441.494 3.943 0 40 IHAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3cccc(F)c3)cc2)cc1 113936272 SZFXMONYWPDASC-UHFFFAOYSA-N 428.485 3.589 0 40 IHAB CCOc1ccccc1CCCNC(=O)[C@H](CC)N(c1ccc(F)cc1)S(C)(=O)=O 219113047 FRLGQHRMUOREOL-FQEVSTJZSA-N 436.549 3.518 0 40 IHAB C[C@@H](C(=O)NC[C@@H]1CCCO1)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1Cl 222880295 DAHPJYICLZISBO-LPHOPBHVSA-N 448.922 3.570 0 40 IHAB CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)COc1cccc(C)c1C 223031480 PZSVFXSPGKPZGW-KRWDZBQOSA-N 447.373 3.998 0 40 IHAB COc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCC2=O)c(Cl)c1Cl 223695460 CALSDXQOAIDBAU-UHFFFAOYSA-N 443.352 3.603 0 40 IHAB COc1cccc(OC)c1CNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 224079709 JAODNIOQTUFKEJ-UHFFFAOYSA-N 444.484 3.574 0 40 IHAB CCOC(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(OC)c(F)c1 225105067 HRUGYZBORUYTTR-UHFFFAOYSA-N 436.288 3.900 0 40 IHAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)Nc3cccc(OC(C)C)c3)s2)cc1 225652306 BSXRLURHPPXSBB-UHFFFAOYSA-N 432.527 3.687 0 40 IHAB CCOC(=O)c1ccc(C)c(NC(=S)NCc2nc(-c3cccc(OC)c3)no2)c1 225822740 UCMYJZHTCDESLZ-UHFFFAOYSA-N 426.498 3.717 0 40 IHAB CC(C)(C)C(=O)N1CCC[C@](COc2ccc(Cl)cc2)(CC(=O)N2CCOCC2)C1 257226921 FMTDIUUDYWZNRD-QHCPKHFHSA-N 436.980 3.623 0 40 IHAB CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)Cn1nc(C)cc1C)[C@H]2Cc1ccccc1 257337672 YTVWXJTXLLVZJJ-LSHRBJLDSA-N 434.584 3.502 0 40 IHAB COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)cc(C)cc3C)C2)c(OC)c1 408558521 JMVOGUNGDCOPQU-SFHVURJKSA-N 446.569 3.668 0 40 IHAB CC(=O)Nc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)cc(C)cc3C)C2)c1 408584011 LDSWYDIMRNHFIB-LJQANCHMSA-N 443.569 3.610 0 40 IHAB COc1cc(NC(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)c(OC)cc1Cl 408613758 XXFHHKGULORHBM-NSHDSACASA-N 447.340 3.804 0 40 IHAB Cc1ccccc1N1C[C@H](C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)CC1=O 408614953 KCZPMQKCLXGBKB-OAQYLSRUSA-N 441.531 3.959 0 40 IHAB C[C@H](c1ccccc1)N1C[C@H](C(=O)OCC(=O)Nc2ccc(Br)cc2)CC1=O 408656606 NMWNIGCCWVKQEU-GDBMZVCRSA-N 445.313 3.541 0 40 IHAB COc1ccccc1NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C 408679976 XINWWWCVCRPPSV-UHFFFAOYSA-N 444.484 3.961 0 40 IHAB O=C(O)CSc1nc2ccc(NC(=O)c3ccccc3C(=O)N3CCCC3)cc2s1 408751428 ZGWWNMALGSXFMM-UHFFFAOYSA-N 441.534 3.961 0 40 IHAB COc1cc(C(=O)N2CCC(C(=O)NCc3ccccc3Cl)CC2)cc(OC)c1OC 409023266 ZXLYTMFBNBDWLO-UHFFFAOYSA-N 446.931 3.534 0 40 IHAB COc1cc(Br)c(CNC(=O)[C@@H]2CCN(c3ccccc3F)C2)cc1OC 562112980 ACKDVAICHSFIAP-CYBMUJFWSA-N 437.309 3.748 0 40 IHAB CC(C)n1cnc([C@@H]2CN(C(=O)Cc3ccccc3)C[C@]23CCCN(CC2CC2)C3=O)c1 585107542 ZKMYCXZGOXXTIE-BKMJKUGQSA-N 434.584 3.651 0 40 IHAB O=C(O)CCc1ccc2c(c1)CN(Cc1cccc(F)c1)CC(=O)NCCCCCO2 643572020 UCRNIFMKPFCXQY-UHFFFAOYSA-N 428.504 3.524 0 40 IHAB O=C(N[C@@H]1CCC[C@H]1NC(=O)c1cccc(OC(F)F)c1)c1cccc(OC(F)F)c1 683370554 WJCZMXXZHVOVNH-IAGOWNOFSA-N 440.393 3.970 0 40 IHAB CCn1cc(C(=O)N2CCCC3=C[C@H]4C[C@@H](CN5CCCC[C@@H]45)[C@H]32)c(=O)c2ccc(C)nc21 888088091 DOQURURDRCHPEJ-TZYAJKAJSA-N 446.595 3.760 0 40 IHAB biogenic CC[C@@H](NC(=O)Nc1ccnn1Cc1ccc(Cl)s1)C(=O)NCc1cccs1 1220244187 ILCCUFBXKANTQC-CQSZACIVSA-N 437.978 3.924 0 40 IHAB Cc1nc2ccccc2c(=O)n1CC1CCN(C(=O)c2cc(-c3ccccc3)nn2C)CC1 1889006024 DDCXKXBBPCRVOG-UHFFFAOYSA-N 441.535 3.658 0 40 IHAB COc1ccc(COC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(F)c(Br)c2)cc1 717915 DPBZQYHJBGVSSQ-SFHVURJKSA-N 449.276 3.968 0 40 IHAB COc1ccc(CCNC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](C2CC2)N3)cc1OC 793185 IDSHYMHESUXPNC-KDOFPFPSSA-N 438.450 3.570 0 40 IHAB Cc1cc(C)cc(OCn2ccc(-c3nc4c5cnn(-c6ccccc6)c5ncn4n3)n2)c1 2730963 NBGNSDGTAKKPTC-UHFFFAOYSA-N 436.479 3.980 0 40 IHAB Cc1cc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)ccc1Br 3208310 LJMKVNXCCRIKPN-UHFFFAOYSA-N 443.388 3.858 0 40 IHAB C[C@H]1CN(C(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(F)cc2)C[C@H](C)O1 3465791 IXYVXCHYUAJQTK-HOTGVXAUSA-N 426.517 3.801 0 40 IHAB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)CC(=O)Nc1ccc(F)c(F)c1F 3584876 SAKWKZLHOPYGIG-UHFFFAOYSA-N 433.352 3.810 0 40 IHAB Cc1ccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(Cc3cccc(Cl)c3)c(=O)n2C)cc1 8587306 IAOFQMCTXHTOHL-INIZCTEOSA-N 449.942 3.695 0 40 IHAB COc1ccccc1[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](O)C(=O)O 8700639 DNZIXULKIJUDJI-DHIUTWEWSA-N 433.460 3.721 0 40 IHAB C[C@H](NC(=O)CSc1nnc(CN2CCCC2)n1-c1ccccc1)c1ccc(F)cc1 8707318 HBTRNJGRCYMTTP-KRWDZBQOSA-N 439.560 3.972 0 40 IHAB COc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2cc(Cl)ccc2C)cc1 9236858 FBEAFPRVGLIXEQ-ZWKOTPCHSA-N 429.933 3.955 0 40 IHAB C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)Nc2ccccc2N2CCCC2)C1=O 9469602 BHVKCLGORIFLIA-AREMUKBSSA-N 442.519 3.846 0 40 IHAB C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 9594642 LKVYEBGBJBPDNH-JTQLQIEISA-N 426.527 3.630 0 40 IHAB COc1ccc(Cl)cc1NC(=O)CSc1ccc2nnc(-c3ccncc3)n2n1 9599840 YVRDBBIBIZLEHC-UHFFFAOYSA-N 426.889 3.579 0 40 IHAB COc1ccc(NC(=O)c2ccc(CN3C(=O)N[C@](C)(c4ccccc4)C3=O)cc2)cc1 9646638 FGAIWNCXSZPHOS-RUZDIDTESA-N 429.476 3.915 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)c(C)c1 10447037 NLMSBMKYUKAYHL-QGZVFWFLSA-N 432.542 3.582 0 40 IHAB CC(C)n1ncc2c(C(=O)OCc3cc(=O)n4ccsc4n3)cc(-c3ccco3)nc21 11042829 OCKCPASRIRLXBZ-UHFFFAOYSA-N 435.465 3.699 0 40 IHAB COc1cc(/C=C\C(=O)NCCc2cc3ccc(C)c(C)c3[nH]c2=O)cc(OC)c1OC 11726479 KFRFRLXLANHJFP-CLFYSBASSA-N 436.508 3.543 0 40 IHAB Cc1cccc(Cn2cnc3c(cnn3CCNC(=O)c3ccc4ccccc4c3)c2=O)c1 12072286 CMAHIYRHTQJNML-UHFFFAOYSA-N 437.503 3.533 0 40 IHAB COc1ccc(Nc2nc(Nc3cc(Cl)ccc3OC)nc(N3CCOCC3)n2)cc1 12235218 FGEKSZWTQJFREG-UHFFFAOYSA-N 442.907 3.866 0 40 IHAB O=C1CCc2cc(S(=O)(=O)Nc3ccc(F)c(C(F)(F)F)c3)cc3c2N1CCC3 12342529 AKRLTUHLEQDXDP-UHFFFAOYSA-N 428.407 3.871 0 40 IHAB CC(C)C[C@@H](C(=O)OCC(=O)Nc1ccc(F)c(Cl)c1)N1C(=O)c2ccccc2C1=O 12565397 YDJJOBUBSYANTE-SFHVURJKSA-N 446.862 3.672 0 40 IHAB C[C@@H](c1nc(N)nc(N(C)C)n1)N(C)Cc1ccc(-c2ccc(Br)cc2)o1 12784109 SAJVFUMOEKYMCP-LBPRGKRZSA-N 431.338 3.735 0 40 IHAB C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NCCSCc2ccccc2)cc1 12974760 IEPHYOKWLMFETN-GOSISDBHSA-N 432.611 3.913 0 40 IHAB O=C(NCc1ccc(CN2CCOCC2)cc1)c1cnn(-c2ccccc2)c1C(F)(F)F 13006869 GOLNOOFMOAWIAT-UHFFFAOYSA-N 444.457 3.653 0 40 IHAB CC(C)NC(=O)CSc1ccccc1C(=O)O[C@@H](C)C(=O)Nc1ccc(Cl)cn1 13038708 MLRZOHPTAXOQPF-ZDUSSCGKSA-N 435.933 3.536 0 40 IHAB COCCn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1-c1ccoc1C 13150746 FSSZGFRWGSLKLL-UHFFFAOYSA-N 429.527 3.833 0 40 IHAB O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 13677738 YLJFQXSSDQIJRZ-URKNILKWSA-N 445.412 3.840 0 40 IHAB COc1cccc(NC(=O)CN(C)CC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)c1 14641578 WUNABGILCGDCCU-UHFFFAOYSA-N 446.479 3.606 0 40 IHAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 15344466 VKQHOABFAWMYOJ-UHFFFAOYSA-N 448.588 3.946 0 40 IHAB CCOc1ccccc1OCCCC(=O)N(CC)CC(=O)Nc1ccc(NC(C)=O)cc1 16046681 PEIFMOGFEKITRI-UHFFFAOYSA-N 441.528 3.690 0 40 IHAB CCSc1nnc(NC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)c2)s1 16097373 VEVWJHBTESFJKK-BETUJISGSA-N 440.616 3.569 0 40 IHAB COc1ccc(-c2nc(C(=O)OCc3cc(=O)oc4cc(O)ccc34)cs2)cc1OC 16556356 SNYSDQTZKUIWPS-UHFFFAOYSA-N 439.445 3.996 0 40 IHAB O=C(c1sccc1-c1ccccc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 17846070 NMDKFTLKXMLKHK-UHFFFAOYSA-N 426.563 3.703 0 40 IHAB O[C@H]1CC2(CCN(C[C@H](O)c3ccc4c(c3)OCCCO4)CC2)Oc2ccc(Cl)cc21 19345574 LVSJIPRAZOCYOB-PMACEKPBSA-N 445.943 3.885 0 40 IHAB CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)c2ccn(C)n2)C1 19449465 QMGIDFIEXXDPQO-AREMUKBSSA-N 430.552 3.687 0 40 IHAB CCCN1CCN(C(=O)c2ccn(C)n2)C[C@H](Cc2cccc(-c3ccccc3)c2)C1=O 19503005 VSWBUYRAMGWVHE-QHCPKHFHSA-N 430.552 3.640 0 40 IHAB CCOc1ncccc1C(=O)N1CCC[C@H]([C@H]2C[C@H](C(F)(F)F)n3nc(C)cc3N2)C1 19531475 QAGADELTWCVKDV-USXIJHARSA-N 437.466 3.825 0 40 IHAB COc1ccc(CN2CCc3nc([C@H]4CCCN4C(=O)C4CCCC4)nc(O)c3C2)cc1 19555511 UOQXCHZXAPPFDN-JOCHJYFZSA-N 436.556 3.603 0 40 IHAB Cc1nn(C(C)C)cc1S(=O)(=O)N1[C@H](c2nc(-c3ccccc3)no2)[C@H]2CC[C@@H]1C2 19583264 ZTKUJPSWWNSXBB-SCTDSRPQSA-N 427.530 3.737 0 40 IHAB CNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)c2ccccc2OC)C1 19591205 QXHRFOSKVJTCBO-MHZLTWQESA-N 443.547 3.968 0 40 IHAB COc1ccc(-c2cc(C)nc([C@@H]3CCCN3S(=O)(=O)c3c(C)n[nH]c3C)c2)cc1 19690781 HAKFFNFFISAQOF-NRFANRHFSA-N 426.542 3.931 0 40 IHAB Cc1cc(NC(=O)CN2CCC([C@H]3CCCCN(CCc4ccccc4)C3=O)CC2)no1 19743994 RAAZVHZAJZWEOJ-JOCHJYFZSA-N 438.572 3.505 0 40 IHAB Cc1nc([C@H]2CCCCN2C(=O)Cc2ccccn2)nc2c1CCCN2Cc1ccccn1 19752550 QRWPXCDHONGSNW-HSZRJFAPSA-N 442.567 3.824 0 40 IHAB CN1CCN(CCn2c(-c3ccc(Br)cc3)cn3c4ccccc4nc23)CC1 19771581 SYTSXUJHJJUHSR-UHFFFAOYSA-N 438.373 3.966 0 40 IHAB CCOc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3Cl)C2)cc1 19859673 FECWGWRXSCUBCS-MRXNPFEDSA-N 436.961 3.919 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N[C@H]2CCCc3ccccc32)cc1C 20015624 YRPGHOKEXSTGLU-NRFANRHFSA-N 430.570 3.598 0 40 IHAB O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)Nc1cc(F)ccc1F 20020792 UUHCCQXVVYQQJD-UHFFFAOYSA-N 444.459 3.734 0 40 IHAB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)S(=O)(=O)c1ccc(Cl)cc1F 21224778 OUKMWAAXCSBKTP-UHFFFAOYSA-N 438.830 3.936 0 40 IHAB Cc1cn2c(=O)cc(COC(=O)c3ccc(NC(=O)c4cccs4)cc3)nc2s1 21633214 CNSIRPYVCNBZET-UHFFFAOYSA-N 425.491 3.735 0 40 IHAB CC(C)Oc1ccc(N(CC(=O)Nc2ccccc2C(F)(F)F)S(C)(=O)=O)cc1 22387353 BPHLDBRCYBTAQR-UHFFFAOYSA-N 430.448 3.897 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)N2CCN(Cc3nc(-c4cccs4)cs3)CC2)c1 22605903 QRDPTUMWXNOIPX-UHFFFAOYSA-N 433.624 3.995 0 40 IHAB CC(C)n1nccc1NC(=O)[C@@H](C)OC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 23467213 RVJHSLCCHMGGLH-OAHLLOKOSA-N 446.935 3.540 0 40 IHAB CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Cn1cnc2ccccc2c1=O 23742500 JJQVHTPHHQLWCE-UHFFFAOYSA-N 449.514 3.908 0 40 IHAB COc1ccccc1Nc1ncccc1C(=O)NCc1ccccc1CN1CCOCC1 23908261 LRRJVIPFFCAOER-UHFFFAOYSA-N 432.524 3.596 0 40 IHAB Cc1ccc(NC(=O)CSCC(=O)NCc2cc(Cl)c3c(c2)OCCCO3)cc1 24323677 WUQDVWDTGRFFHZ-UHFFFAOYSA-N 434.945 3.798 0 40 IHAB O=C(O)/C=C/c1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2)cc1 25423977 PFXDZDSBUXSGOM-VGOFMYFVSA-N 440.452 3.977 0 40 IHAB Cc1csc(=O)n1CCCC(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 26370237 PICVRGKFLSISMR-UHFFFAOYSA-N 432.933 3.893 0 40 IHAB Cc1cc(NC(=O)CN2CCN(c3cc(-c4ccccc4)c4ccccc4n3)CC2)no1 32860111 XQFWXRSNUWHKJE-UHFFFAOYSA-N 427.508 3.959 0 40 IHAB O=C(c1ccc(=O)n(Cc2ccccc2Cl)c1)N1CCC[C@@H](c2nnc3ccccn23)C1 32904392 HSIHKEKQQIPFKZ-GOSISDBHSA-N 447.926 3.613 0 40 IHAB O=C(/C=C/c1cccs1)N1CCN(C(=O)c2cnn(-c3ccccc3)c2C2CC2)CC1 32933099 URLPEWSNUKMFMG-ZHACJKMWSA-N 432.549 3.809 0 40 IHAB COc1ccccc1[C@H](C(=O)NC(C)(C)C)N(C(=O)c1csnn1)c1ccccc1F 35292282 WWAMAPROCATOIA-LJQANCHMSA-N 442.516 3.989 0 40 IHAB C[C@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(S(C)(=O)=O)cc1 44857125 VYZXFNDLNORRMD-INIZCTEOSA-N 434.989 3.833 0 40 IHAB C[C@H]1CN(C(=O)CCNC(=O)Nc2ccc(N(C)C3CCCCC3)c(F)c2)C[C@@H](C)O1 48333845 HRSSLTNLZGNDLV-CALCHBBNSA-N 434.556 3.742 0 40 IHAB Cc1cc(S(=O)(=O)n2nnc3ccccc32)c(Br)cc1Br 54363022 CVPPJRCMKIGIRF-UHFFFAOYSA-N 431.109 3.502 0 40 IHAB CCc1ccc([C@@H]2NC(=O)NC(CN3CC=C(c4ccccc4)CC3)=C2C(=O)OC)cc1 57415189 TZFSFXREHJYMQG-DEOSSOPVSA-N 431.536 3.819 0 40 IHAB O=C(Nc1nccs1)[C@H]1CCCN(C(=O)NCc2ccnc(Oc3ccccc3)c2)C1 58196037 TWIGZEUJAAEPGJ-KRWDZBQOSA-N 437.525 3.891 0 40 IHAB Cc1cc(C(=O)Nc2nnc(SCC(=O)Nc3ccccc3C(F)(F)F)s2)no1 70634986 SDDCWYVSLMFOKZ-UHFFFAOYSA-N 443.432 3.836 0 40 IHAB CCc1cc(C(=O)N2CC[C@@H](c3c(C(=O)N4CCOCC4)sc4ccccc34)C2)on1 72352199 VXXPJWIEYAAHRP-OAHLLOKOSA-N 439.537 3.554 0 40 IHAB COc1ccc(CCCNc2cc(Cn3ncc4ccccc4c3=O)nc(C)n2)cc1OC 72373278 XTQCDCXONPZJLT-UHFFFAOYSA-N 445.523 3.605 0 40 IHAB O=S(=O)(Cc1ccccc1Cl)N1CCC[C@H]1c1cncc(Nc2ccccn2)n1 72376368 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CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CCc1ccc2c(c1)OCO2 222845032 NMXQHIJDWBKNQD-OAQYLSRUSA-N 440.540 3.689 0 40 IHAB COc1ccc(S(=O)(=O)NC(C)(C)Cc2ccccc2)cc1I 223188111 FJEOHTIODGBHCO-UHFFFAOYSA-N 445.322 3.599 0 40 IHAB CCOCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)C(C)C 223274041 ZFLWXKCWNZKHQC-XMMPIXPASA-N 440.584 3.834 0 40 IHAB CCOC(=O)N1CCN(C(=O)c2ccc(OC)c(COc3ccc(Cl)cc3)c2)CC1 224162297 QLJWDSDQVIHBJP-UHFFFAOYSA-N 432.904 3.842 0 40 IHAB CCc1ccc(CCC(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 224403080 CBNYUOCNSKOVDQ-UHFFFAOYSA-N 444.597 3.551 0 40 IHAB COc1ccc(Br)cc1S(=O)(=O)NCCCN1c2ccccc2C[C@@H]1C 224561911 WFRFZGZUKGRFKD-AWEZNQCLSA-N 439.375 3.577 0 40 IHAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1OC 224739801 PJWPMWSJKCWQFW-FQEVSTJZSA-N 430.520 3.793 0 40 IHAB O=C(CN1CC[C@@]2(CCCO2)[C@@H](OCc2ccccc2)C1)N1CCSc2ccccc21 257301899 SALNELDFTSKCRY-ZCYQVOJMSA-N 438.593 3.966 0 40 IHAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)N[C@@H](C)C(C)C)Oc3ccc(Cl)cc32)cc1 260905599 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COc1ccc2c(c1)OCCN(C(=O)c1cccc(NC(=O)[C@H]3Cc4ccccc4O3)c1)C2 670138111 MZAUPBFPJZJWPT-XMMPIXPASA-N 444.487 3.672 0 40 IHAB C[C@@]1(c2ccccc2)CN(C(=O)N[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CCO1 1565195552 CAGJLDHBFKWYKP-KNQAVFIVSA-N 447.457 3.768 0 40 IHAB O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1)c1ccc2c(c1)OCO2 738400 WGUAEYUFQLMYKF-UHFFFAOYSA-N 429.476 3.630 0 40 IHAB O=C(NC[C@@H]1CCCO1)[C@@H]1CC(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C1 1089447 VDVUKNXOFXNYSI-XLIONFOSSA-N 428.916 3.567 0 40 IHAB O=C(NC1CCCC1)[C@H](c1ccncc1)N(C(=O)c1ccco1)c1ccc2c(c1)OCCO2 1380000 OAKSHDITDVCCMZ-QHCPKHFHSA-N 447.491 3.893 0 40 IHAB CCOC(=O)c1c(NC(=O)COC(=O)Cc2cccc(OC)c2)sc2c1CCCC2 3240650 CYXNHMMIAYLSLK-UHFFFAOYSA-N 431.510 3.537 0 40 IHAB O=c1[nH]c2cc3c(cc2cc1CN(C(=S)NCc1ccco1)C1CCCC1)OCO3 6445913 KRGXZXQZDWWPOC-UHFFFAOYSA-N 425.510 3.669 0 40 IHAB O=C(c1cc2ccccc2o1)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 8754729 CTVLSUMCLNYEMW-UHFFFAOYSA-N 438.427 3.598 0 40 IHAB COc1ccc2[nH]cc(CCNC[C@H]3C(=O)O[C@@H]4CC5=CCC[C@@H](C)[C@@]5(C)[C@@H](O)[C@H]34)c2c1 8762992 BJRTZLZJYHGJHK-FBBRDLCESA-N 438.568 3.594 0 40 IHAB CCCNC(=O)[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccc(OC)c(Cl)c1 9238718 VGIBQERBPUDXEA-QZTJIDSGSA-N 443.960 3.892 0 40 IHAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)Cn2nnc(-c3cccs3)n2)cc1 9512643 NUWWFNJNFUWUFA-FQEVSTJZSA-N 444.520 3.788 0 40 IHAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)/C=C/c1cc(OC)c2c(c1)OCCO2 9577748 MQUYHDSHQHDJCO-VOTSOKGWSA-N 425.441 3.561 0 40 IHAB CCOc1ccc(S(=O)(=O)Nc2ccc(-n3c(C)nc4ccccc4c3=O)cc2)cc1 9715076 CBTBPGXWFYOWGU-UHFFFAOYSA-N 435.505 3.894 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc(F)c3)cc2)cc1 10078081 KPJUWBGQDKSZDJ-UHFFFAOYSA-N 430.457 3.653 0 40 IHAB Cc1ccc(-n2c(C)c(C)n3c4c(=O)n(Cc5ccc(F)cc5)c(=O)n(C)c4nc23)c(C)c1 10271878 JCCANOPTDSRTJE-UHFFFAOYSA-N 445.498 3.560 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(NC(=O)COc3cc(C(C)C)ccc3C)CC2)cc1 10567533 AEQFFWSEQBASKV-UHFFFAOYSA-N 444.597 3.775 0 40 IHAB CCOC(=O)Cc1csc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)n1 11169887 MFWXUWBGHCDGSX-UHFFFAOYSA-N 433.493 3.749 0 40 IHAB CS(=O)(=O)NCCc1ccc(-c2csc(-c3ccc(NC(=O)C4CC4)cc3)n2)cc1 11181621 UHIVYRMLXFYZCB-UHFFFAOYSA-N 441.578 3.917 0 40 IHAB COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=S)N[C@H]1c1cc(OC)c(O)c(OC)c1 11208357 CTNHSNXLAVCIBP-FQEVSTJZSA-N 442.537 3.909 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(NC(=O)Cc3coc4cc(C)c(C)cc34)CC2)cc1 11556773 HEXKIRYXEOOPIE-UHFFFAOYSA-N 440.565 3.870 0 40 IHAB CCOc1ccc(O[C@H](C)C(=O)N2CCC(c3nc4ccccc4cc3C(N)=O)CC2)cc1 12254833 HGMYWQORBFGPAV-QGZVFWFLSA-N 447.535 3.906 0 40 IHAB Cc1cc(Br)ccc1NC(=O)CNC(=O)COc1cccc2c1OC(C)(C)C2 12690086 CWWZCFUQCJTBPQ-UHFFFAOYSA-N 447.329 3.605 0 40 IHAB CSCc1c(C(=O)N2CCN(CC(=O)Nc3cccc(F)c3)CC2)oc2ccccc12 12763591 MPLOWAZYWCNKEJ-UHFFFAOYSA-N 441.528 3.831 0 40 IHAB CCN(CC(=O)Nc1ccccc1OC)Cc1cc2c(cc1Br)OCCO2 12871002 SEZCGUUVUYHBJW-UHFFFAOYSA-N 435.318 3.690 0 40 IHAB CCC(C)(C)NC(=O)[C@H](c1ccccn1)N(Cc1ccccc1F)C(=O)c1csnn1 12871895 CPOWDXGAHKLTEX-IBGZPJMESA-N 441.532 3.761 0 40 IHAB O=C(NCc1ccccc1Cl)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12906766 TWIWLVIYHFXUHA-UHFFFAOYSA-N 432.973 3.546 0 40 IHAB Cc1cccc(NC(=O)CN(C)C(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)c1C 12937894 ULCYIEXRMKUQKS-GOSISDBHSA-N 431.945 3.857 0 40 IHAB O=C(CCC(=O)c1cccs1)CCC(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 12974928 NUDICRRVIHILDG-KRWDZBQOSA-N 426.538 3.938 0 40 IHAB CCOc1ccc(/C=c2\sc3nc(-c4cccc(Cl)c4)nn3c2=O)cc1OCC 13512059 KQZHEXPJJRQWQU-WQRHYEAKSA-N 427.913 3.817 0 40 IHAB COCc1nn2c3c(nnc2c1-c1ccc(OC)cc1)C(=O)C[C@H](c1ccc(OC)cc1)C3 13639422 RTZVZTLJTGCSPJ-QGZVFWFLSA-N 444.491 3.868 0 40 IHAB CCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H](C(=O)C(C)(C)C)N1c3c(ccc4cccnc34)C=C[C@H]21 13654601 SZVXYWDZONQOJK-VQQMMKBISA-N 431.536 3.835 0 40 IHAB O=C1C[C@@H](N2CCc3[nH]c4c(Br)cccc4c3C2)C(=O)N1Cc1ccccc1 13724856 VWEVZOYMBQSGBQ-LJQANCHMSA-N 438.325 3.616 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2)cc1 14224174 MIIYZADEAAMAFC-UHFFFAOYSA-N 446.550 3.914 0 40 IHAB Cc1cc(C(=O)COc2ccc(Br)cc2F)c(C)n1[C@@H]1CCS(=O)(=O)C1 14318070 CVFOCGGZXSLFLA-CQSZACIVSA-N 444.322 3.628 0 40 IHAB COC(=O)c1c(CN2CCN(c3ncccn3)CC2)nc2ccccc2c1-c1ccccc1 15471441 YYCMAJYDLNKLNP-UHFFFAOYSA-N 439.519 3.801 0 40 IHAB NS(=O)(=O)c1ccc(CCNC(=O)CSC(c2ccccc2)c2ccccc2)cc1 15589892 FXZWSSKSAMSDOS-UHFFFAOYSA-N 440.590 3.516 0 40 IHAB CCOC(=O)Cc1csc(NC(=O)c2cccn(Cc3c(F)cccc3Cl)c2=O)n1 15882797 HTTQWTXNKOHONJ-UHFFFAOYSA-N 449.891 3.504 0 40 IHAB COCCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc2c(c1)OCCCO2 16154680 YZYBUTKRNZRDPX-UHFFFAOYSA-N 447.431 3.693 0 40 IHAB O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccccc1C(F)(F)F 16449437 FTZBOMVITSLYPQ-UHFFFAOYSA-N 428.432 3.507 0 40 IHAB COc1ccc(OC[C@H](O)Cn2c([C@@H]3CC(=O)N(C(C)(C)C)C3)nc3ccccc32)cc1 16903074 JDNPASRPBICMKE-QZTJIDSGSA-N 437.540 3.599 0 40 IHAB O=C(c1cccc(F)c1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CN(C1CCCCC1)CC2 19293562 INIGTZGWOMBYKL-QFIPXVFZSA-N 438.547 3.967 0 40 IHAB COc1ccc(CC(=O)N[C@H]2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)cc1OC 19461532 ONMFSBITNLGOCB-IBGZPJMESA-N 432.524 3.928 0 40 IHAB COc1cccc(C(=O)N2CCC[C@@H]2c2nc(N(C)C)ncc2-c2ccncc2)c1OC 19585315 WIBIKWCTPVSZCE-LJQANCHMSA-N 433.512 3.599 0 40 IHAB Cc1cc(-c2cncnc2)cc(C2CCN(C(=O)[C@@H]3CC(=O)OC34CCCCC4)CC2)n1 19692186 XWRTXUZNDJJKIU-NRFANRHFSA-N 434.540 3.819 0 40 IHAB Cc1nonc1CC(=O)N1CCCC[C@@H]1c1nc(N(C)C)ncc1-c1cccc(Cl)c1 19694380 KXAYOSVOPUGDCM-LJQANCHMSA-N 440.935 3.851 0 40 IHAB CC(=O)N1CCC[C@@H]1c1nc2c(c(NCCCc3ccccc3Cl)n1)CCN(C)C2 19707147 NWWFIQXFAIZCTD-OAQYLSRUSA-N 427.980 3.846 0 40 IHAB Cc1nc(C2CCN(Cc3ccnn3C)CC2)nc2c1CCC(=O)N2Cc1ccccc1F 19739412 JVSGEJGFMPYAHA-UHFFFAOYSA-N 448.546 3.517 0 40 IHAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H]2CCCc3ccccc32)cc1Cl 20015283 KKBJHADIIKOOPQ-IBGZPJMESA-N 436.961 3.553 0 40 IHAB CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(OCC(=O)Nc2cccc(F)c2)cc1 22232578 DEAYIWLQPBHFHS-UHFFFAOYSA-N 446.475 3.949 0 40 IHAB Cc1sc2ncn(CCC(=O)NCc3ccc(CN4CCCCC4)cc3)c(=O)c2c1C 22414809 KASJDQXPHDCJDX-UHFFFAOYSA-N 438.597 3.767 0 40 IHAB CCOc1ccc(NC(=O)C[C@H]2C(=O)N(Cc3cccnc3)c3nc4ccccc4n32)cc1 23411292 KTGCWFFRVSWQRW-QFIPXVFZSA-N 441.491 3.947 0 40 IHAB Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)cc1 23845633 BJMNWKJHGAJYEL-OAQYLSRUSA-N 441.959 3.579 0 40 IHAB CC(=O)c1ccc(S(=O)(=O)N2CCN([C@@H](C)c3nc4ccccc4s3)CC2)cc1 26356516 QMMHNOCRSBFVNF-HNNXBMFYSA-N 429.567 3.566 0 40 IHAB Cc1ccc(-n2c(-c3ccccc3)cnc2SCC(=O)N2CCC[C@H](C(N)=O)C2)c(C)c1 27667182 IXAGQYANRMIASY-FQEVSTJZSA-N 448.592 3.972 0 40 IHAB CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)Nc2ccccc2)CC1 29083674 VILWYPWLAVTYPT-GOSISDBHSA-N 435.590 3.510 0 40 IHAB COc1ccc(N2C[C@H](C(=O)N[C@H](CCSC)c3nc4ccccc4[nH]3)CC2=O)cc1 32765638 YTSXTZYJTXTNCI-FOIQADDNSA-N 438.553 3.535 0 40 IHAB Cc1ccn2c(=O)cc(COc3cc(NC(=O)COc4ccccc4)ccc3C)nc2c1 33068059 KAKPEUJWALJDHN-UHFFFAOYSA-N 429.476 3.908 0 40 IHAB COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(OC)c(OC)cc3C)C2=O)cc1 33738840 XDAOCVCCIICIFP-ODLFYWEKSA-N 442.493 3.696 0 40 IHAB COC(=O)c1ccccc1C(=O)N1CCN(c2nc3ccc(SC)cc3s2)CC1 35590390 DYTALFNZEXDBDV-UHFFFAOYSA-N 427.551 3.767 0 40 IHAB COc1ccc(-c2c(C(=O)O)sc3c2NC(=O)C[C@@]32C(=O)Nc3cc(F)ccc32)cc1 36365135 YCMVDTIQCLQRMH-QFIPXVFZSA-N 438.436 3.841 0 40 IHAB Cc1nn2c(nnc3c(=O)n(-c4nccs4)ccc32)c1-c1ccc(Br)cc1 38828568 ITGAGWZLTVEFNZ-UHFFFAOYSA-N 439.298 3.623 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCc2ccc(Cl)cc2)cc1Cl 39986483 REMZVWBATBHGEY-UHFFFAOYSA-N 445.368 3.719 0 40 IHAB CCOC(=O)c1cc2cc(NC(=O)CCN3C(=O)NC4(CCCCC4)C3=O)ccc2s1 40082380 SCDINHBXEZQOKG-UHFFFAOYSA-N 443.525 3.661 0 40 IHAB CCCCNC(=O)c1ccc(-n2ccnc2SCC(=O)NCCc2ccccc2)cc1 44166297 VIBDWNWYFQBWCF-UHFFFAOYSA-N 436.581 3.853 0 40 IHAB COc1ccc(N2C[C@@H](C(=O)Nc3ccc4oc(C(F)(F)F)nc4c3)CC2=O)cc1OC 48356446 DKLDZRYWRVPRSA-NSHDSACASA-N 449.385 3.855 0 40 IHAB COc1ccccc1N1CCN(c2ccnc(SCC(=O)Nc3ccccc3C)n2)CC1 49399546 REIJJKSKKSXHFN-UHFFFAOYSA-N 449.580 3.851 0 40 IHAB CCOc1ncc([C@@]2(O)CC[C@H]3CN(Cc4cccc(OC(C)C)c4)C[C@@H]32)c(OCC)n1 57773887 GDZNPJKSHQYXBX-JTJYXVOQSA-N 441.572 3.791 0 40 IHAB CN(C(=O)Cn1c(S(C)(=O)=O)nc2ccccc21)C(c1ccccc1)c1ccccc1 58644462 QISDFYTWJRLUJP-UHFFFAOYSA-N 433.533 3.688 0 40 IHAB COc1cccc(C(=O)Cn2c(=O)n3nc(-c4cccc(F)c4)nc3c3ccccc32)c1 65502065 UEVSEOYYXGZGBX-UHFFFAOYSA-N 428.423 3.742 0 40 IHAB Cc1c(C(=O)NC2CCCC2)nnn1-c1cccc2c1CCN(Cc1cccc(F)c1)C2 69656435 UNMPPGUOFRRRNO-UHFFFAOYSA-N 433.531 3.946 0 40 IHAB CCn1c(SCC(=O)Nc2nc(C)c(C)s2)nnc1-c1ccc(OC)c(OC)c1 72191712 OKKGYTAGTMNGST-UHFFFAOYSA-N 433.559 3.786 0 40 IHAB CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)O[C@H](C)c1cnc2ccccc2c1 79052270 DQYVXOKSPWVSBM-IERDGZPVSA-N 444.578 3.939 0 40 IHAB CCN(CC(=O)Nc1cccc(OC)c1)C(=O)C1CCC(CNC(=O)OC(C)(C)C)CC1 79104373 AXUFPWQPBMEAQN-UHFFFAOYSA-N 447.576 3.813 0 40 IHAB CCOC(=O)Nc1ccc2c(COC(=O)[C@@](C)(O)[C@H](C)c3ccccc3)cc(=O)oc2c1 95407056 PXYJHCBYBUCPGB-MYYSRTQBSA-N 439.464 3.959 0 40 IHAB CC(=O)N1CCc2nc3cc([C@@H]4CCCCN4Cc4ccccc4Cl)nn3c(O)c2C1 100242879 GPROZQLTKAFHHJ-NRFANRHFSA-N 439.947 3.720 0 40 IHAB CCCc1cc(=O)oc2cc(C)cc(O[C@@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)c12 100767808 AUOQTWUVJWASOW-YESZJQIVSA-N 429.513 3.828 0 40 IHAB COC(=O)c1ccccc1S[C@H]1CC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O 101130746 GTKRYCSMJFASSH-HNNXBMFYSA-N 425.384 3.796 0 40 IHAB Cc1cc2c(cc1C)N(CC(=O)Nc1ccc(S(C)(=O)=O)cc1)C(=O)[C@@H]1CCCC1=N2 101945637 QHCFDABMMVEWGB-GOSISDBHSA-N 439.537 3.565 0 40 IHAB COc1ccc(OC)c([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)c1 102730228 BXPASGIBSLOURW-DNVJHFABSA-N 430.460 3.755 0 40 IHAB COc1cccc(C(=O)N2CCC(N3CCC(Oc4ccccc4F)CC3)CC2)c1OC 217372535 KSWPVDHDNAJSAG-UHFFFAOYSA-N 442.531 3.991 0 40 IHAB Cc1ccc(C(=O)NCCOc2ccc3ccccc3c2)cc1S(=O)(=O)N1CCCC1 223604916 VJYYAOKBXHOTIS-UHFFFAOYSA-N 438.549 3.742 0 40 IHAB CN(c1ccccc1F)S(=O)(=O)c1cccc(C(=O)NCCCN2CCCCCC2)c1 224158670 DZGZNFDUARIYMG-UHFFFAOYSA-N 447.576 3.647 0 40 IHAB CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN1C(=O)c2cccc3cccc1c23 225056450 OQLSOPXTUGMNRN-LJQANCHMSA-N 443.547 3.786 0 40 IHAB CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccccc1Cl 225488810 ZTAIATMYGXWWPB-ZDUSSCGKSA-N 439.737 3.645 0 40 IHAB COc1cccc(N(C)C(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1 225999131 KGWQJIAVNFXXKN-UHFFFAOYSA-N 438.549 3.858 0 40 IHAB CCc1c(C)sc2ncn([C@@H]3CCCN(CC(=O)N4[C@@H](C)CCC[C@@H]4C)C3)c(=O)c12 251996483 KVIFAHCOEATTHL-XYJFISCASA-N 430.618 3.755 0 40 IHAB CNC(=O)c1cc(C)nc(C2(C)CCN(C(=O)[C@@H](c3ccccc3)C3CCCC3)CC2)n1 257207266 BHATUDKXXKDGEX-QFIPXVFZSA-N 434.584 3.999 0 40 IHAB CC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N(C)C(=O)c2ccc(C)c(F)c2)CC1 257223050 DVRUGBLJDQGOGM-VDKIKQQVSA-N 426.532 3.584 0 40 IHAB O=C1CC2(CCN(C(=O)c3cccc(Oc4ncccn4)c3)CC2)[C@H](c2ccccc2)CN1 257273384 NGIYAADZXIWMPO-QFIPXVFZSA-N 442.519 3.795 0 40 IHAB COc1cccc2c1OC(C)(C)[C@H]1CC3(CCN(C(=O)Cn4cc(C)cn4)CC3)CO[C@H]21 257275882 NRJLFVAIKBTNPO-SIKLNZKXSA-N 439.556 3.758 0 40 IHAB CNc1nc(C)c(C(=O)N2CCO[C@@H](c3cccc(Cc4ccccc4F)n3)C2)s1 257343338 ZSMMTUHAVDHTTJ-LJQANCHMSA-N 426.517 3.832 0 40 IHAB Cc1cccc(CNC(=O)c2ccccc2NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 408614976 KJKCLIBBXFXWBS-QFIPXVFZSA-N 441.531 3.912 0 40 IHAB Cc1cc(C)cc(NC(=O)COC(=O)CCS(=O)(=O)c2cc(Cl)ccc2Cl)c1 408647981 WBQJDCCNILFIOE-UHFFFAOYSA-N 444.336 3.956 0 40 IHAB COC(=O)c1cccc(NC(=O)c2ccc(NC(=O)c3c(OC)cccc3OC)cc2)c1 408678506 FQTAHZAREYHTMQ-UHFFFAOYSA-N 434.448 3.995 0 40 IHAB Cc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccccc3Cl)[C@H]2c2ccc(C)cc2)cc1 409052199 GTBQYFHJIUFXCJ-WAUWHALJSA-O 432.931 3.973 0 40 IHAB O=C(COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)Nc1cccc(Cl)c1 409111817 CHRNOGKOUWWIOZ-UHFFFAOYSA-N 444.940 3.879 0 40 IHAB COC(=O)CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)NC1=S 409217153 SQODSHMGTQVJPZ-QPEQYQDCSA-N 444.818 3.849 0 40 IHAB COCCCN1C(=O)S/C(=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)C1=O 409220830 GMBQMKVZZQUUIA-CPNJWEJPSA-N 444.484 3.916 0 40 IHAB CCn1c(CC(=O)Nc2ccc(C)cc2)nnc1SCC(=O)Nc1cccc(OC)c1 409349829 WGVHOTBFDAPCBZ-UHFFFAOYSA-N 439.541 3.527 0 40 IHAB Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)NCCC1=CCCCC1 409391297 MQAZJCVEBBOCMF-UHFFFAOYSA-N 442.581 3.859 0 40 IHAB COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1 584906191 JXSDKLAMCKHZBR-UHFFFAOYSA-N 429.561 3.776 0 40 IHAB O=C(NC[C@H]1CC[C@H]2CN(C(=O)c3cccnc3)c3ccccc3CN21)c1ccccc1 585110125 MQWFYDPIZKOVQD-PKTZIBPZSA-N 426.520 3.505 0 40 IHAB CCn1cc([C@@H]2CSCCN2C(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)cn1 683364866 BZWYOMXESXJWTP-GCJKJVERSA-N 434.565 3.726 0 40 IHAB CS(=O)(=O)c1ccc(CCC(=O)NC[C@H](O)c2ccc(-c3cccs3)cc2)cc1 1775976485 AMTBSRSEROTKAL-FQEVSTJZSA-N 429.563 3.601 0 40 IHAB O=C1C(Cl)=C(Nc2ccc(I)cc2)C(=O)N1Cc1ccccc1 723956 YOJIBZCVHZTAGH-UHFFFAOYSA-N 438.652 3.723 0 40 IHAB Cc1cc2cc(CN(Cc3cccnc3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2cc1C 914836 MJMQKVYMDXNUCE-UHFFFAOYSA-N 433.533 3.931 0 40 IHAB CCCN1C(=O)[C@@](O)(CC(=O)c2ccc(OC)c(OC)c2)c2cc(Br)ccc21 2205399 RNQDQMDGHBXUFC-OAQYLSRUSA-N 448.313 3.684 0 40 IHAB CCOC(=O)Cc1csc(SCC(=O)Nc2sc(C)c(C)c2C(=O)OCC)n1 2644020 MROVHSTURQRNCR-UHFFFAOYSA-N 442.584 3.835 0 40 IHAB CC[C@H]1SC2=NC(C)=C(C(=O)OCC(C)C)[C@@H](c3ccc(OC(C)=O)cc3)N2C1=O 2702454 IYNKROIZPBWORX-IEBWSBKVSA-N 430.526 3.850 0 40 IHAB Cc1c(NC(=O)[C@H](C)OC(=O)c2cc3ccccc3cc2O)c(=O)n(-c2ccccc2)n1C 3253279 LIEQFBKJOQBDNB-INIZCTEOSA-N 445.475 3.527 0 40 IHAB O=C(OCCN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1cccs1 3268634 UIJFELPQYGKNDA-LIKPIUCQSA-N 429.497 3.797 0 40 IHAB COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1 3356919 SRONFZNZVIXKDO-UHFFFAOYSA-N 440.477 3.520 0 40 IHAB CCCn1c(=O)c2ccccc2n2c(S[C@@H](C)C(=O)NCCC3=CCCCC3)nnc12 3452371 YGHGRQBUAUBETP-INIZCTEOSA-N 439.585 3.942 0 40 IHAB COc1cc2c(cc1OC)[C@H](C)N(C(=O)/C=C/c1cc(OC)c(OC)c(OC)c1)CC2 4090544 GWIGPCOQOMVZJF-KIUWMYQTSA-N 427.497 3.889 0 40 IHAB biogenic O=C(O)CCCCCNC(=O)CCCCCCCCC(=O)NCCCCCC(=O)O 5725084 PJGTWNSPQLXUFP-UHFFFAOYSA-N 428.570 3.630 0 40 IHAB COc1cc(-c2nnc(S[C@@H]3CCOC3=O)n2-c2ccccc2F)cc(OC)c1OC 9119600 WQGOOIUTXXCBKA-QGZVFWFLSA-N 445.472 3.507 0 40 IHAB O=C(NC1=NCCS1)c1ccc(Cl)c(S(=O)(=O)N[C@H]2CCCc3ccccc32)c1 9171396 FOZNRUBLBFCBPO-KRWDZBQOSA-N 449.985 3.529 0 40 IHAB O=C(NCc1ccccc1)c1ccccc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 9203209 NDOJROIUSDZAET-UHFFFAOYSA-N 449.532 3.544 0 40 IHAB CCCc1nnc2n1N[C@H](c1ccc(F)cc1)[C@@H](C(=O)Nc1ccc(OC)cc1)S2 9239204 WFIRXHUAWQCWGW-MOPGFXCFSA-N 427.505 3.776 0 40 IHAB Cc1cc(Br)cc(C)c1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 9329121 MZIQHXRAWZCMKJ-OAHLLOKOSA-N 445.313 3.601 0 40 IHAB CCn1c(SCC(=O)OCC(=O)N(c2ccccc2)C(C)C)nnc1-c1ccco1 9398505 IKQJKWHQGOOVNA-UHFFFAOYSA-N 428.514 3.635 0 40 IHAB CCCCOc1cccc(C(=O)N(Cc2ccc(OC)cc2)[C@H]2CCS(=O)(=O)C2)c1 9459819 LVEYDWIQFNMLGY-FQEVSTJZSA-N 431.554 3.704 0 40 IHAB O=C(C(=O)N1CC=C(c2ccccc2)CC1)c1cn(CC(=O)N2CCCC2)c2ccccc12 9518884 FLBXYWOTNUZHBW-UHFFFAOYSA-N 441.531 3.762 0 40 IHAB O=C([C@@H]1CN(C(=O)CSc2ccc3ccccc3c2)c2ccccc2O1)N1CCOCC1 9666787 YFPJHKFSQJQVJQ-QHCPKHFHSA-N 448.544 3.585 0 40 IHAB COc1cccc(-c2nnc(SCC(=O)NC(=O)NC(C)(C)C)n2-c2ccccc2)c1 9672415 CONNWWICHITDMX-UHFFFAOYSA-N 439.541 3.659 0 40 IHAB COc1ccc(NC(=O)CSc2nnc(-c3ccccc3OC)n2-n2cccc2)cc1 9738375 CHKWGVSSHZHIEM-UHFFFAOYSA-N 435.509 3.806 0 40 IHAB COc1ccc(C(=O)N2CCN(C(=O)COc3ccc(-c4ccccc4)cc3)CC2)cc1 9891837 WKGWZYDUFSXFCP-UHFFFAOYSA-N 430.504 3.726 0 40 IHAB O=C(Nc1ccccc1)C1=C(Nc2ccc3c(c2)OCCO3)c2ccccc2S1(=O)=O 10011349 ABUZJZJJUXXVPY-UHFFFAOYSA-N 434.473 3.665 0 40 IHAB COc1ccc(N(CC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1OC 10111876 LOQIBCRLEUHGRA-MRXNPFEDSA-N 448.585 3.645 0 40 IHAB Cc1cccc(N(Cc2ccc(C(=O)NCCCN3CCCCC3)cc2)S(C)(=O)=O)c1 10279450 YERIKMYDFCOYIP-UHFFFAOYSA-N 443.613 3.567 0 40 IHAB CCOCCCn1c(SCC(=O)Nc2cccc(C(C)=O)c2)nc2ccccc2c1=O 10785947 HSEBIPHANMZLSI-UHFFFAOYSA-N 439.537 3.757 0 40 IHAB CC(=O)Nc1ccc(N2C(=O)c3ccc(C(=O)OCc4cccc(C#N)c4)cc3C2=O)cc1 11166793 GLAAQYCDBWMLJH-UHFFFAOYSA-N 439.427 3.674 0 40 IHAB O=C(CN1CCC(NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)CC1)Nc1ccccc1 11586460 NDUGQPIBUBIYBR-UHFFFAOYSA-N 430.552 3.880 0 40 IHAB COc1ccc([C@H](CNC(=O)c2n[nH]c(=O)c3ccccc23)Cc2ccccc2)cc1OC 12371223 JBPPNNUXNKQQCW-IBGZPJMESA-N 443.503 3.697 0 40 IHAB CCc1c(-c2ccccc2)n(-c2ccc(Cl)cc2)c2nc3c(c(=O)n(C)c(=O)n3C)n12 12413153 QPVOCLKPYVUKLH-UHFFFAOYSA-N 433.899 3.558 0 40 IHAB CCN1CCN(c2oc(-c3ccccc3C)nc2S(=O)(=O)c2ccc(C)cc2)CC1 12419278 ATBHEDAULQXFFH-UHFFFAOYSA-N 425.554 3.933 0 40 IHAB CC(C)(C)CC(=O)N1CC[C@@H](CC(=O)O)[C@@H](CCN2CCN(c3ccc(F)cc3)CC2)C1 12481658 DVSQAEHTHOOEBX-PMACEKPBSA-N 447.595 3.713 0 40 IHAB biogenic,in-vitro CCOc1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1S(=O)(=O)N1CCCCC1 12700406 KNIOAOQUOWJNPA-UHFFFAOYSA-N 441.553 3.922 0 40 IHAB CC(=O)c1cc2c(cc1NC(=O)CSc1nnc(COc3cccc(C)c3)o1)OCO2 12738944 ZFUJGZZCSWCNDW-UHFFFAOYSA-N 441.465 3.619 0 40 IHAB COCc1c(C(=O)OCC(=O)NC(=O)Nc2ccccc2F)sc2cccc(F)c12 12941826 IDPFZDIVEBYXTQ-UHFFFAOYSA-N 434.420 3.831 0 40 IHAB C[C@@H](c1nc2scc(-c3cccs3)c2c(=O)[nH]1)N1CCN(C(=O)c2ccco2)CC1 12979568 RORKNKFLKDSHAT-ZDUSSCGKSA-N 440.550 3.825 0 40 IHAB O=S(=O)(c1ccccc1Cl)N1CCN(Cc2ncc(-c3ccc(F)cc3)o2)CC1 12984819 RJVYEAWRRLGDII-UHFFFAOYSA-N 435.908 3.641 0 40 IHAB COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)OCC(=O)Nc2cc(C)on2)c1 12999850 OFWYJKIUASHIJD-UHFFFAOYSA-N 432.436 3.640 0 40 IHAB COc1ccc([C@@H](NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c2ccccc2)cc1 13128480 SYOICYUBRPBGES-DEOSSOPVSA-N 436.533 3.890 0 40 IHAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)CNC(c1ccccc1)c1ccccc1 13164445 CGCGNZBQXHQXNQ-UHFFFAOYSA-N 433.527 3.670 0 40 IHAB COc1ccc(N(CC(=O)N2c3ccccc3C[C@@H]2C)S(=O)(=O)c2ccccc2)cc1 13612093 FWFPYAOUGQILKB-SFHVURJKSA-N 436.533 3.868 0 40 IHAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCCCC3)Nc1cccc(Br)c1 13692583 WIWWTPYZSUHVPS-UHFFFAOYSA-N 442.313 3.903 0 40 IHAB COc1cc(C(C)=O)ccc1OC[C@H](O)CSc1nc(C2CC2)n(-c2ccccc2)n1 15239608 RKNCZWDLBMJNIL-IBGZPJMESA-N 439.537 3.888 0 40 IHAB COc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCCCC3)c2)cc1OC 15589270 WNEKXNJHMRJMEH-UHFFFAOYSA-N 448.541 3.529 0 40 IHAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cc(Br)ccc1Cl 15717947 JEALXGBCCINRBU-UHFFFAOYSA-N 443.750 3.556 0 40 IHAB O=C(CN1CCN(c2ccccc2O)CC1)N1N=C(c2cccs2)C[C@@H]1c1ccco1 16481394 FLXNPXLOOYRYSY-LJQANCHMSA-N 436.537 3.547 0 40 IHAB CCn1c(=S)sc2c(O)nc(SCC(=O)N3CCOc4ccc(C)cc43)nc21 17056808 JJVLBPJUBLDELQ-UHFFFAOYSA-N 434.568 3.774 0 40 IHAB CC(C)[C@H](NC(=O)COc1ccccc1F)c1cc(O)n2nc(-c3cccnc3)cc2n1 19445489 VSJSTFAYVNIGPQ-QHCPKHFHSA-N 435.459 3.528 0 40 IHAB Cc1ncc(C(=O)N2CC[C@@](Cc3cccc(-c4ccccc4)c3)(C(=O)N(C)C)C2)c(C)n1 19552370 GTZSAGOQPIFZDA-MHZLTWQESA-N 442.563 3.924 0 40 IHAB Cc1noc2nc([C@@H]3CCCN(C(=O)[C@H]4CC(=O)N(C(C)C)C4)C3)cc(C(F)(F)F)c12 19563742 LKFGIYBIPFLGJT-KGLIPLIRSA-N 438.450 3.513 0 40 IHAB Cc1cc(C)n(CC(=O)N2CCCC[C@H]2c2nc(N(C)C)ncc2-c2cccc(F)c2)n1 19694301 SLCSTAJOFLQVBD-NRFANRHFSA-N 436.535 3.916 0 40 IHAB Cc1nc([C@H]2CCCCN2C(=O)c2cccnc2)nc2c1CCCN2CCc1ccccn1 19753005 LHJBCXFFMYSBFT-HSZRJFAPSA-N 442.567 3.938 0 40 IHAB Cc1ccc(C(=O)N2CCCC[C@H]2c2ncc(C(=O)N(C)C)c(C)n2)cc1N1CCCC1 19765610 LWZGOMASYMYPGF-NRFANRHFSA-N 435.572 3.763 0 40 IHAB O=C(Nc1ccc(F)c(C(F)(F)F)c1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 20016914 BVZOLSJAHMPMJI-CYBMUJFWSA-N 430.423 3.884 0 40 IHAB COc1cccc(N(CC(=O)NC(C(C)C)C(C)C)S(=O)(=O)c2ccc(C)cc2)c1 20235614 QOXWMSSYWGLOKU-UHFFFAOYSA-N 432.586 3.996 0 40 IHAB COc1ccccc1CN(C)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 20460868 YMZARYWRBMLKOP-UHFFFAOYSA-N 442.512 3.688 0 40 IHAB COc1cccc(NC(=O)Cn2cc(C(=O)c3ccc(C)cc3)c(=O)c3ccc(C)nc32)c1 20579567 NKPHLUUYJHVJBT-UHFFFAOYSA-N 441.487 3.892 0 40 IHAB O=C(c1cc(Br)c(C(=O)N2CCCC2)cc1Br)N1CCCC1 22620430 QQKNZXWBZSYEMA-UHFFFAOYSA-N 430.140 3.684 0 40 IHAB O=C(c1ccccc1)c1ccc(OCc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 22673618 AZPALDJCEWHRAG-UHFFFAOYSA-N 437.517 3.518 0 40 IHAB O=C(Cn1cccc(-c2nc(-c3ccc(Cl)cc3)no2)c1=O)NCc1ccc(F)cc1 23126168 WRJLLZQBVUQMAG-UHFFFAOYSA-N 438.846 3.674 0 40 IHAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 24759217 MWHIVCMGHDZGND-QFIPXVFZSA-N 443.503 3.643 0 40 IHAB Cc1cccc(NC(=O)C[C@]23CSc4[nH]c(=O)sc4[C@@H]2c2ccccc2OC3=O)c1 32594662 RTYKHDNSCSRPPR-JTSKRJEESA-N 438.530 3.917 0 40 IHAB C[C@H](OC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)C(=O)c1ccc(F)cc1 32876726 UTUOIQXSRDXNQF-INIZCTEOSA-N 433.501 3.819 0 40 IHAB COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)c(Cl)c3)C2=O)cc1O 34857501 GANQCSUVOHVXQB-CAOOACKPSA-N 448.884 3.738 0 40 IHAB O[C@H](COCc1ccc2c(c1)OCO2)CN1CCC[C@H](c2nc3ccccc3s2)C1 34870253 VEXOBJRUMPTMPY-ROUUACIJSA-N 426.538 3.782 0 40 IHAB COc1cccc(-c2cc(C(=O)N[C@H](C)Cn3nc(C)cc3C)c3c(C)nn(C)c3n2)c1 36616422 FYIHDFXJMNVSOM-OAHLLOKOSA-N 432.528 3.584 0 40 IHAB C[C@H]1C[C@@H](C)CN(Cc2ccc(CNC(=O)c3ccc(CS(C)(=O)=O)cc3)cc2)C1 48345521 CGIYGEGRUZOOEC-KDURUIRLSA-N 428.598 3.639 0 40 IHAB Cc1cc(OCC(=O)Nc2cccc(Cl)c2)nc(N2CCN(c3ccccc3)CC2)n1 48985746 OEIPHVMYHVEWHC-UHFFFAOYSA-N 437.931 3.783 0 40 IHAB C[C@@H](CCc1ccccc1)NC(=O)Cn1nc(-c2ccc(Br)cc2)ccc1=O 49545720 IUKDIFOGSCLRAD-INIZCTEOSA-N 440.341 3.810 0 40 IHAB CC(C)c1ccc(NC(=O)CSc2ncnc3nc(N4CCOCC4)sc23)cc1 57506889 HSICIBKAPTWJBK-UHFFFAOYSA-N 429.571 3.777 0 40 IHAB COc1ccc(NC(=O)Cn2c(-c3cccc(Cl)c3)nc(C)c(C)c2=O)c(OC)c1 57527928 IDCGLRVNAFPUTJ-UHFFFAOYSA-N 427.888 3.836 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc2[nH]c(CN3CCCc4cccc(OC)c43)nc2c1 58130594 MZSCLHIJHWUNFR-UHFFFAOYSA-N 428.558 3.555 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3n2C)cc1 58313917 LRRFFCKKGFKDBE-NRFANRHFSA-N 440.569 3.581 0 40 IHAB CC(C)(C)OC(=O)NC[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1 72054771 MBDPODRKVKVACV-LLVKDONJSA-N 439.397 3.579 0 40 IHAB COc1ccccc1[C@H](CNC(=O)[C@H]1CCCN1C(=O)C1CCCCC1)N1CCCCC1 72272713 YWKJMAUFUWKFFU-PKTZIBPZSA-N 441.616 3.910 0 40 IHAB Cc1cc2nc([C@H]3CCCN(C(=O)c4n[nH]c5c4CCCC5)C3)cc(C(F)(F)F)n2n1 72340933 YIWNCOUXRWKZII-ZDUSSCGKSA-N 432.450 3.678 0 40 IHAB CCc1c(C)sc2ncn([C@@H]3CCCN(C(=O)c4cc(C(C)(C)C)n[nH]4)C3)c(=O)c12 72347750 RPOYBPRXWXINHA-CQSZACIVSA-N 427.574 3.827 0 40 IHAB CCc1c(-c2ccc(F)cc2)nn2c1NC(=O)[C@@H]2CC(=O)Nc1ccccc1C(=O)OC 90594507 RMJHWVBFKZQNNC-SFHVURJKSA-N 436.443 3.560 0 40 IHAB COc1ccc(F)cc1S(=O)(=O)Nc1ccccc1Cc1nc(-c2cccnc2)no1 96119623 DXYRTBRYUBZGMZ-UHFFFAOYSA-N 440.456 3.671 0 40 IHAB O=C(NCCc1n[nH]c(=S)n1C1CC1)c1cc(Cl)ccc1I 97915205 UNTWVWBVDPJZPY-UHFFFAOYSA-N 448.717 3.506 0 40 IHAB O=C(C1[C@H]2CCCC[C@H]12)N1CCCC[C@H]1c1nc(O)c2c(n1)CN(Cc1ccncc1)CC2 100238198 FPKVWBIKHJLCJK-IPJJNNNSSA-N 447.583 3.625 0 40 IHAB CC[C@H](C(=O)NCCSCc1ccccc1C)N(c1cccc(C)c1)S(C)(=O)=O 220505847 WCIKOXAIYCIMHT-OAQYLSRUSA-N 434.627 3.898 0 40 IHAB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(C)n1-c1cccnc1 223717652 ZGPYWZUXJASVET-YADHBBJMSA-N 435.553 3.501 0 40 IHAB CC[C@@H](C(=O)NCCOc1cc(C)cc(C)c1)N(c1cc(C)ccc1C)S(C)(=O)=O 224101281 CQGHDEGAUGAPDO-NRFANRHFSA-N 432.586 3.660 0 40 IHAB CN(C)S(=O)(=O)c1cccc(C(=O)NCCSCc2ccc(Cl)cc2Cl)c1 225419006 ZHAHXDLVVBRVHA-UHFFFAOYSA-N 447.409 3.907 0 40 IHAB CC(=O)NCCCCCC(=O)N1CC[C@H]2O[C@H]3c4ccc(O)cc4OC(C)(C)[C@@H]3C[C@@H]2C1 257222247 DSOIDCJBTCUXDN-ONOGEGBSSA-N 444.572 3.554 0 40 IHAB COc1ccc([C@H]2CN(C(=O)c3ccccc3CN3CCCCC3)CCN2C(C)=O)cc1 257224943 FEBAFKMLCIIXBR-RUZDIDTESA-N 435.568 3.727 0 40 IHAB Cc1ccc2[nH]nc(C(=O)N3CCO[C@H](c4cc(CCOc5ccc(F)cc5)[nH]n4)C3)c2c1 257288638 PVAXLRWOBNHTPX-QFIPXVFZSA-N 449.486 3.569 0 40 IHAB CCOc1ccc(CN2CCO[C@H](c3cccc(Nc4cccc(C)n4)n3)C2)cc1CO 257294803 QVUSUMZCGVLXJY-QHCPKHFHSA-N 434.540 3.993 0 40 IHAB COc1cc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@H]4NC(=O)C(C)C)ccc1OCCO 257300216 RTKRJARFFJERPY-ZWNICXECSA-N 431.573 3.721 0 40 IHAB COc1ccc(C2(C(=O)N3CCOC[C@H](Cc4ccc5nccn5n4)C3)CCCCC2)cc1 257335422 YKBRBZOPPIVLPB-HXUWFJFHSA-N 448.567 3.658 0 40 IHAB O=C1N(Cc2ccccc2)CCO[C@@]12CN(Cc1ccc(F)cc1)C[C@@H]2c1cccnc1 306130346 JDBLHQKLMNNDSU-AOYPEHQESA-N 431.511 3.618 0 40 IHAB O=C(NCc1ccccc1Cl)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 408598296 YVIAUNYDPZFZDG-NRFANRHFSA-N 428.941 3.546 0 40 IHAB Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3n2NC(=O)C(=O)NC2CC2)cc1Cl 408603661 GTKDVUGOIBPXCW-UHFFFAOYSA-N 445.306 3.858 0 40 IHAB CCOc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2C)C1 408654900 GYRWVVUKBTUQCC-HNNXBMFYSA-N 430.888 3.582 0 40 IHAB Cc1cc(NC(=O)COC(=O)CCC(=O)Nc2ccccc2)c(C)cc1Br 408665146 UULPZMIPMSMBKQ-UHFFFAOYSA-N 433.302 3.967 0 40 IHAB CCOc1ccc(C(=O)Nc2ccc(OC)c(Cl)c2)cc1S(=O)(=O)NC(C)C 408700419 FSWHFMQIAGLZFZ-UHFFFAOYSA-N 426.922 3.686 0 40 IHAB CCn1c(CNC(=O)c2ccccc2C)nnc1SCC(=O)Nc1ccc(Cl)cc1 409062251 QTEJWNYKHQSNTI-UHFFFAOYSA-N 443.960 3.921 0 40 IHAB COc1cc2c(cc1/C=C1/SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C1=O)OCO2 409102296 ROVNMERNZNSTLW-UBKPWBPPSA-N 446.868 3.752 0 40 IHAB CNCC(=O)N1CC[C@]2(C[C@@H]1c1ccccc1)CN(CC(C)C)C(=O)N2c1ccccc1 585261623 FHVCVOSQRXZGSE-BVAGGSTKSA-N 434.584 3.907 0 40 IHAB CN1CCCCCCN(C(=O)c2ncccn2)[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643582320 SCQLGTZUFPAMRR-IRLDBZIGSA-N 436.556 3.955 0 40 IHAB CC(C)O[C@H](C(=O)N1CCn2c(Cc3cccc(F)c3F)nnc2C1)c1ccccc1 1132826510 APZPPMWZBXJWLR-QFIPXVFZSA-N 426.467 3.656 0 40 IHAB Cn1cc(-c2noc(CCC3CCCC3)n2)c(=O)c2cc(F)c(N3CCOCC3)cc21 1775967489 TUTZDNYZHRRVOK-UHFFFAOYSA-N 426.492 3.687 0 40 IHAB CC(=O)O[C@@H]1C[C@@]2(O)[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1c1ccc(=O)oc1 1903846701 VOZHMAYHYHEWBW-CYTXOAHMSA-N 444.568 3.784 0 40 IHAB Cc1ccccc1N1CCN(C(=O)c2ccccc2NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)CC1 627444 IOWZLWSWIYORIW-WOJBJXKFSA-N 447.535 3.563 0 40 IHAB COc1ccc2[nH]c(=O)c(CN(C(=S)NC[C@H]3CCCO3)C3CCCCC3)cc2c1 879979 KEEOTNLKJDZJRO-HXUWFJFHSA-N 429.586 3.725 0 40 IHAB COc1ccc2cc(CN(Cc3cccnc3)S(=O)(=O)c3ccc(C)cc3)c(=O)[nH]c2c1 923230 GLRGNIBNCBVJOE-UHFFFAOYSA-N 449.532 3.631 0 40 IHAB O=C(C[C@H]1C(=O)N(c2ccc(F)cc2)C(=S)N1CCc1ccncc1)Nc1ccccc1 1443244 PJQMULPNMAMTBZ-NRFANRHFSA-N 448.523 3.794 0 40 IHAB CC1=C(C(N)=O)[C@@H](c2ccc(OCc3c(Cl)cccc3Cl)cc2)N2NN=NC2=N1 1789513 ZIHQDLLICKXLPZ-QGZVFWFLSA-N 431.283 3.930 0 40 IHAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)NC(c2ccccc2)c2ccccc2)C1=O 2622452 VMNPJYGNMUEQOD-AREMUKBSSA-N 427.504 3.750 0 40 IHAB O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O)NCc1ccccc1 3502998 HUKHCMFIWMXASH-UHFFFAOYSA-N 448.862 3.614 0 40 IHAB O=C(Cn1cc(/C=C2\N=C(S)N(c3ccccc3)C2=O)c2ccccc21)N1CCCC1 3642008 ABRSPYUWVNLGFS-ZHZULCJRSA-N 430.533 3.937 0 40 IHAB Cc1nc2cc(C(=O)OCc3cccc(S(=O)(=O)N(C)C)c3)ccc2n1-c1ccccc1 6153554 TUXBTYQKOGEZPV-UHFFFAOYSA-N 449.532 3.941 0 40 IHAB CC(C)c1ccc(S(=O)(=O)c2nnn3c2nc(N2CCCC2)c2sccc23)cc1 8589368 USSCGEHUCXRZMA-UHFFFAOYSA-N 427.555 3.895 0 40 IHAB C[C@@H]1Cc2nc(SCC(=O)NCc3ccccc3)n(Cc3ccccc3)c(=O)c2S1 8623135 PPLFMMHOSDTEFR-MRXNPFEDSA-N 437.590 3.737 0 40 IHAB Cc1cccc(N(CC(=O)NC2CCCCC2)C(=O)CCCC(=O)Nc2ccccn2)c1 8680657 YKJNAVZCHRSEGO-UHFFFAOYSA-N 436.556 3.981 0 40 IHAB CNC(=O)c1ccc(NC(=O)CSc2ncc(-c3ccc(Br)cc3)[nH]2)cc1 8719170 QCMIZKRGVJXFAA-UHFFFAOYSA-N 445.342 3.930 0 40 IHAB C[C@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)c1ccc(NS(C)(=O)=O)cc1 8862109 JSZUAAUTCAYCIA-AWEZNQCLSA-N 442.566 3.880 0 40 IHAB COCCn1c(SCc2nc3ccccc3c(=O)n2C2CC2)nnc1-c1ccccc1 8882920 QUSCQSIWUMAGBV-UHFFFAOYSA-N 433.537 3.929 0 40 IHAB O=C(C[C@H]1CCS(=O)(=O)C1)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 8980639 JSMBIQXPXDVCFZ-CYBMUJFWSA-N 440.443 3.721 0 40 IHAB Cn1c(S[C@@H]2CCCCN(C(=O)c3ccc(Cl)cc3)C2=O)nnc1-c1ccncc1 9125875 QLSCOMSSNWVOFV-QGZVFWFLSA-N 441.944 3.844 0 40 IHAB COc1ccc(CC(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccc(OC)cc3)c2)cc1 9126904 GFZMFQKYTBTRKF-UHFFFAOYSA-N 440.521 3.994 0 40 IHAB COc1ccc(CC(=O)n2nc(-c3cccnc3)nc2NCc2ccccc2OC)cc1 9288925 WRZWLZCYZLJARS-UHFFFAOYSA-N 429.480 3.852 0 40 IHAB Cc1ccc(NC(=O)Cc2nnc(SCc3nnc(-c4ccccc4)o3)n2C)cc1C 9327784 APRDVUUGYLGTCA-UHFFFAOYSA-N 434.525 3.955 0 40 IHAB Cc1cccc(CSC2=NCCN2C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 9381070 IPOKCBSYZNEMPM-UHFFFAOYSA-N 443.594 3.525 0 40 IHAB CCOc1ccc(CCNC(=O)N(CC)CC(=O)Nc2ccc(OC)cc2)cc1OCC 9414559 ABNYVMBEHZSVEI-UHFFFAOYSA-N 443.544 3.705 0 40 IHAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CSc1ccc3c(c1)OCCCO3)n2CCC 9466530 PWOQJBJDUILFGB-UHFFFAOYSA-N 444.557 3.550 0 40 IHAB C[C@@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)N(Cc2ccccc2F)C2CC2)C1=O 9789156 FHZGOZFPIGSDAG-DEOSSOPVSA-N 435.455 3.530 0 40 IHAB Cc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2C(=O)Nc2ccccc2)cc1 9795860 SFZFJBLKGQINSK-UHFFFAOYSA-N 444.520 3.954 0 40 IHAB COc1cc(NC(=O)CSc2nnc3ccc(-c4ccc(F)cc4)nn23)cc(OC)c1 9829130 VCESONVYASRLKA-UHFFFAOYSA-N 439.472 3.678 0 40 IHAB CCCCn1c(=O)n(-c2cccc(Cl)c2C)c(=O)c2c3c(sc21)CN(C(C)=O)CC3 9830564 AUDMLZJUAARKHT-UHFFFAOYSA-N 445.972 3.880 0 40 IHAB COc1ccc(N(CC(=O)Nc2ccccc2C)S(=O)(=O)c2ccc(F)cc2)cc1 9847003 GRQOBGZYVJOZQU-UHFFFAOYSA-N 428.485 3.977 0 40 IHAB Cc1ccc(NC(=O)CSc2nc(=O)n(Cc3ccco3)c3c2CCCC3)cc1F 10186677 KGVZLNQMXPLBHI-UHFFFAOYSA-N 427.501 3.942 0 40 IHAB Cc1ccc(S(C)(=O)=O)cc1C(=O)O[C@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 10405219 YVYJYQVLEOLDNY-GFCCVEGCSA-N 429.416 3.601 0 40 IHAB CCOC(=O)c1ccsc1NC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCCO2 11287488 LHODTKCGLUKHAK-KRWDZBQOSA-N 430.526 3.862 0 40 IHAB CCNC(=O)NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccccc1)CC2 11408001 RTQXAAZLIRPKJX-SAPNQHFASA-N 429.476 3.724 0 40 IHAB Cn1ncc2c(SCC(=O)N3N=C(c4cccs4)C[C@H]3c3cccs3)ncnc21 11683197 BQMZTEOLUGWRFN-AWEZNQCLSA-N 440.579 3.956 0 40 IHAB CC(C)c1nccn1CCC(=O)N1CCC[C@@H](n2nc(-c3cccs3)ccc2=O)C1 12116181 UKCUTDFDQSLAKM-QGZVFWFLSA-N 425.558 3.546 0 40 IHAB CN(Cc1ccc(C(F)(F)F)cc1)Cn1nc2n(C)c(=O)c3ccccc3n2c1=S 12563810 AOFUSYWMEMHCMT-UHFFFAOYSA-N 433.459 3.825 0 40 IHAB O=C(CCC1CCCC1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 12597017 XEGNRTVHBLKAFW-UHFFFAOYSA-N 449.617 3.607 0 40 IHAB O=C(NC1CCCC1)[C@@H](c1ccncc1)N(Cc1ccccc1F)C(=O)c1csnn1 12871837 GNVRHVKBTQJLLT-HXUWFJFHSA-N 439.516 3.515 0 40 IHAB CCCN(Cn1nc(-c2ccc(C(C)(C)C)cc2)n(C)c1=S)[C@H]1CCS(=O)(=O)C1 12889508 QKKRZVGISCVKGV-SFHVURJKSA-N 436.647 3.772 0 40 IHAB N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(N2CCC(Cc3ccccc3)CC2)cc1 13540898 GUNDCJVNWMXBOG-FCHUYYIVSA-N 441.622 3.799 0 40 IHAB CCS(=O)(=O)N1CCCc2cc(C(=O)N3CCC(Cc4ccccc4)CC3)ccc21 13610471 AHOCQFMMFMMKCT-UHFFFAOYSA-N 426.582 3.884 0 40 IHAB CCOc1ccc(N(CC(=O)N2CCc3ccccc32)S(=O)(=O)c2ccccc2)cc1 13669740 KVPNESXFFMMYAF-UHFFFAOYSA-N 436.533 3.870 0 40 IHAB CCn1c(SCC(=O)N(C)Cc2cnn(Cc3ccccc3)c2)nnc1-c1ccco1 14200816 UUGTYKHGRBBMMI-UHFFFAOYSA-N 436.541 3.554 0 40 IHAB COc1ccc2cc(CNC(=O)Cc3c(C)nc4nc(C(F)(F)F)nn4c3C)ccc2c1 14900233 SEXUSOLLDDWWQZ-UHFFFAOYSA-N 443.429 3.781 0 40 IHAB COc1ccc(-n2ccnc2SCC(=O)Nc2cccc(NC(C)=O)c2)c(OC)c1 16890550 DIMGGXZRYQSVCI-UHFFFAOYSA-N 426.498 3.579 0 40 IHAB C[C@H](Sc1nnc(N2CCOCC2)n1-c1ccccc1)C(=O)N1CCCc2ccccc21 17278166 QPXMYWLJYUINLN-SFHVURJKSA-N 449.580 3.564 0 40 IHAB CC(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2nc(N(C)C)ncc2-c2ccncc2)cc1 19022333 GCNRFQVWNCICPX-NRFANRHFSA-N 430.512 3.540 0 40 IHAB COc1cccc(O[C@H](C)C(=O)N2CC[C@H](c3cc4nc(C)cc(C(F)(F)F)n4n3)C2)c1 19116965 BQMFMQFYSRLLJQ-CABCVRRESA-N 448.445 3.849 0 40 IHAB CCN1CCN(C(=O)Cc2cccc(F)c2)C[C@H](Cc2cccc(-c3cccnc3)c2)C1=O 19527551 ITQWEOVLZGHRFM-DEOSSOPVSA-N 445.538 3.980 0 40 IHAB CCNC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CCCN(C(=O)c2cnccn2)C1 19528719 BTOMOQYAWURGIP-SANMLTNESA-N 428.536 3.745 0 40 IHAB O=C(COc1ccc(F)cc1F)N1CCO[C@H](c2nccnc2-c2ccccc2F)C1 19693465 GQWKJATUGRKJCX-IBGZPJMESA-N 429.398 3.540 0 40 IHAB CCn1cc(CN(C)C(=O)c2sc3ccccc3c2[C@H]2CN(C(C)=O)CCO2)c(C)n1 19696708 FONSHRXSOFVQJM-LJQANCHMSA-N 440.569 3.618 0 40 IHAB Cc1nc(C2CCN(C(=O)c3ccccc3)CC2)nc2c1CCC(=O)N2Cc1ccccn1 19739358 ISSUGGXHYVYHIL-UHFFFAOYSA-N 441.535 3.679 0 40 IHAB Cc1nc([C@@H]2CCCCN2C(=O)Cc2c(C)[nH]c3c(C)cccc23)nc2c1CC(=O)N2C 19739590 FGSLULWWBXQCFK-FQEVSTJZSA-N 431.540 3.698 0 40 IHAB Cc1nc([C@H]2CCCN(C(=O)c3[nH]c4ccc(F)cc4c3C)C2)ncc1C(=O)N1CCCC1 19763004 WNKPOZUUCVUQLE-KRWDZBQOSA-N 449.530 3.970 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN3C(=O)c2cccnc2)cc1Cl 19819340 XMRZDXUBPGXNSX-UHFFFAOYSA-N 443.912 3.747 0 40 IHAB Cc1cc(C)n(-c2nc(NCCCN3CCOCC3)c3c4c(sc3n2)CCCC4)n1 20479306 UZHWZZTZOSMPKE-UHFFFAOYSA-N 426.590 3.507 0 40 IHAB Cc1ccc(OCC(=O)Nc2ccc(N3CCN(C(=O)C(F)(F)F)CC3)cc2)cc1C 21123855 HOVUOXWHSWDTFT-UHFFFAOYSA-N 435.446 3.532 0 40 IHAB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC(C)CC2)cc1C 22247362 YFYCTZFREXWOKS-QFIPXVFZSA-N 444.597 3.542 0 40 IHAB CC1CCC2(CC1)NC(=O)N(CC(=O)NCC(C)(c1ccccc1)c1ccccc1)C2=O 23989573 DYPRFUIXWXWNFX-UHFFFAOYSA-N 433.552 3.610 0 40 IHAB CC[C@H](C)c1ccccc1NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 24757820 GRYPFWAKEKVTGW-ROUUACIJSA-N 447.576 3.673 0 40 IHAB C[C@H]1CCc2nc(NC(=O)c3sccc3S(=O)(=O)N3CCCCC3)sc2C1 24775950 QJRFIBFAFZRFFZ-LBPRGKRZSA-N 425.601 3.756 0 40 IHAB Cc1cc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)ccc1N1CCCC1 30956821 GCRPSYVQTFSHBH-KRWDZBQOSA-N 433.599 3.696 0 40 IHAB CCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(OCc3cccnc3)cc2)cc1 32809868 YQNQSHSOZPXINV-UHFFFAOYSA-N 434.448 3.633 0 40 IHAB COc1ccc(OCC(=O)Nc2ccccc2OCc2cc(=O)n3cccc(C)c3n2)cc1 33067845 CARRZRUJAUOYIP-UHFFFAOYSA-N 445.475 3.608 0 40 IHAB CC(=O)Oc1ccc(/C=C2/N=C(c3ccc(Br)cc3)OC2=O)cc1OC(C)=O 33525671 XIKFCOZCJDKWEG-CXUHLZMHSA-N 444.237 3.644 0 40 IHAB Cc1ccc(-c2cc3c4nn(CC(=O)Nc5ccc(Cl)cc5)c(=O)n4ccn3n2)cc1C 38487199 URDIUXZHDCRQCE-UHFFFAOYSA-N 446.898 3.720 0 40 IHAB Cc1ccc(Cl)cc1NC(=O)[C@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1 38849602 HNIOAPKEYZEHEU-QGZVFWFLSA-N 429.325 3.858 0 40 IHAB O=C(NCc1ccc(-n2cccn2)nc1)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1 40040739 FJKVSTIPXMTTGD-NRFANRHFSA-N 439.519 3.589 0 40 IHAB O=C(c1ccccc1F)N1CCC(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 43962575 ISFAZECOXXQJOX-UHFFFAOYSA-N 444.450 3.675 0 40 IHAB COc1ccc(S(=O)(=O)N[C@H](CC(C)C)c2ccccc2)cc1C(=O)N1CCCC1 44844474 SCLNLEBWXGZKBO-OAQYLSRUSA-N 430.570 3.997 0 40 IHAB Cc1nn(-c2ccc(F)cc2F)c(C)c1CC(=O)NCCNc1ncnc2sccc12 58005492 WAPYVFXDEXHSJN-UHFFFAOYSA-N 442.495 3.543 0 40 IHAB CCc1c(C(=O)NC[C@@H](O)COc2cccc3ccccc23)cnn1-c1ccc(F)cc1 58112113 HCABIHBXMUHALX-HXUWFJFHSA-N 433.483 3.897 0 40 IHAB O=C(NCCCNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(O)c1 58161878 DLDXGIYTAXXFLR-UHFFFAOYSA-N 434.336 3.980 0 40 IHAB CC(C)(C)OC(=O)NC1(CNC(=O)NCc2ccc(-n3cccn3)nc2)CCCCCC1 58171598 XLRWQJXCNGBMPZ-UHFFFAOYSA-N 442.564 3.684 0 40 IHAB CCc1cc(=O)[nH]c(-c2cccc(NC(=O)N(Cc3cccnc3)C[C@H]3CCCO3)c2)n1 69445209 GAGYDWHZXFDAFE-OAQYLSRUSA-N 433.512 3.607 0 40 IHAB C[C@H](NC(=O)COc1ccc2cc(Br)ccc2c1)c1nnc2ccccn12 69516263 HDFRTEZWUPSGES-ZDUSSCGKSA-N 425.286 3.901 0 40 IHAB CCn1ccc(C(=O)N2CC[C@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)[nH]n3)C2)n1 72371669 MNVLXPCQMXPCCO-HNNXBMFYSA-N 447.461 3.896 0 40 IHAB CNC(=O)[C@@]1(Cc2ccc(-c3ccc(F)cc3)cc2)CN(C(=O)Cc2ccccc2)CCO1 72389306 PCCWLPQZHHMMIU-HHHXNRCGSA-N 446.522 3.622 0 40 IHAB COc1cccc2[nH]c(C(=O)N3CCC[C@H](c4cc(C(F)F)n5ncnc5n4)C3)cc12 72395315 HZZNPYGACVYCBR-LBPRGKRZSA-N 426.427 3.572 0 40 IHAB O=c1c2ccccc2ncn1CCSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1 78814674 JZQCQJKOENTTLT-HNNXBMFYSA-N 439.566 3.688 0 40 IHAB CN(Cc1cccc(C(F)(F)F)c1)C1CCN([C@H]2CCN(CC(F)(F)F)C2=O)CC1 83864127 UBYBCCQBAALIKP-KRWDZBQOSA-N 437.428 3.765 0 40 IHAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)c1 89434918 KTLFNIIZWAFGCF-UHFFFAOYSA-N 442.493 3.766 0 40 IHAB Cc1cc(NC(=O)N[C@H](C)Cn2cncn2)n(-c2cc(C(F)(F)F)ccc2Cl)n1 89594276 IGLFXQCGKZJYET-LLVKDONJSA-N 427.818 3.655 0 40 IHAB Cc1ccc(N(C(=O)CCN(C)Cc2ccc(F)cc2F)[C@@H]2C=CS(=O)(=O)C2)cc1C 89643212 CCSYAEXELYXIMN-OAQYLSRUSA-N 448.535 3.747 0 40 IHAB COc1ccc(-n2cnc3cc(C(=O)Nc4ccc(OC)c(OC)c4)ccc3c2=O)cc1 94993031 KCBLHRMXRNXSOK-UHFFFAOYSA-N 431.448 3.664 0 40 IHAB COC(=O)c1ccc2[nH]c(CO[C@H]3CN(Cc4cn(C)c5ccccc45)C[C@H]3F)nc2c1 96112383 SMFUOGGSZQYUSD-GCJKJVERSA-N 436.487 3.580 0 40 IHAB biogenic,in-vitro COc1cccc(C(=O)N2CCC3(CC2)C[C@H](CC(=O)NC2CC2)c2ccccc2O3)c1 96243211 DBOGYWYBUCAUAE-IBGZPJMESA-N 434.536 3.905 0 40 IHAB C[C@H]1C/C(=C/c2ccco2)c2nc3ccccc3c(C(=O)N[C@@H]3CCS(=O)(=O)C3)c2C1 96920827 DBJABFSNJWJQGM-QUBPTDRESA-N 436.533 3.868 0 40 IHAB Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1CN(CCO)C1CCN(C)CC1 97020242 FTRJPGAYMJYYDM-UHFFFAOYSA-N 430.902 3.741 0 40 IHAB CC(C)C(=O)N1CCc2nc3cc([C@@H]4CCCCN4Cc4ccsc4)nn3c(O)c2C1 100233868 CULVNRZOWNJMPW-FQEVSTJZSA-N 439.585 3.764 0 40 IHAB COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CCN(c2cccc(C)c2)[C@H](C)C1 102913440 JSLMRIYVNSOUSU-MRXNPFEDSA-N 444.578 3.896 0 40 IHAB CC1=CCC(=O)[C@@]2(C)[C@H]1[C@H](O)[C@H]1O[C@H]3C[C@@H](c4ccoc4)C(C)=C3[C@]1(C)[C@@H]2CC(=O)O 104064954 WLPQYBOZJVUQFL-ZRHCXMBDSA-N 426.509 3.864 0 40 IHAB CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)COc1cc(C)c(Br)c(C)c1 222952513 QINHNMAQIXGZOR-LJQANCHMSA-N 447.373 3.998 0 40 IHAB CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCc1ccc2c(c1)OCCO2 223557156 HNNOQBSUZYRSPR-FQEVSTJZSA-N 438.568 3.767 0 40 IHAB Cc1cccc(OCCNC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)c1C 223918865 WWSSCUXSKANOJG-UHFFFAOYSA-N 438.549 3.937 0 40 IHAB Cc1cccc(OCCNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)c1C 223926058 SNQWBOQOZSEVAQ-UHFFFAOYSA-N 436.961 3.550 0 40 IHAB C[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CCc1ccc2c(c1)OCO2 224108987 LKVKIXKQGAXYKE-LJQANCHMSA-N 436.552 3.867 0 40 IHAB CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C)cc1OC 225192532 WQEFOWQRLXWHTF-FGZHOGPDSA-N 435.553 3.954 0 40 IHAB COc1ccc(OC[C@H](C)NC(=O)/C(=C/c2ccco2)NC(=O)c2cccc(C)c2)cc1 225429827 UHGRSJULAHGEAO-JYBCESJWSA-N 434.492 3.951 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCOc3ccccc32)Cc2ccccc2)cc1 225998850 NANBRZJQNULEII-UHFFFAOYSA-N 436.533 3.612 0 40 IHAB CN(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)CC[C@@H]3CCCO3)CC2)n1 257255705 KINMGXVAHJANLF-JBACZVJFSA-N 437.588 3.954 0 40 IHAB Cc1nc([C@@H]2CCN(C(=O)[C@@H](C)c3ccccc3)C2)nc(C)c1CC(=O)NC1CCCC1 257272203 NBLFWVLDIIBDJL-LAUBAEHRSA-N 434.584 3.814 0 40 IHAB CCc1ccc(N(CCCC(=O)N[C@H](C)COc2ccccc2C)S(C)(=O)=O)cc1 260507792 ONTGSNYGFTYBKP-LJQANCHMSA-N 432.586 3.687 0 40 IHAB C[C@@H](C(=O)N[C@H](C)c1ccc2c(c1)CCCC2)N(c1ccc(F)c(F)c1)S(C)(=O)=O 260949397 XAQDOHSIRSRVSL-CABCVRRESA-N 436.524 3.876 0 40 IHAB Cc1ccccc1N1C[C@H](C(=O)Oc2cccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)c2)CC1=O 408649739 AFCKYNLBFCIPBR-DUXKGJEZSA-N 446.503 3.633 0 40 IHAB COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)ccc1OC(C)C 409360564 QWSQVLXAHZDLSH-UNOMPAQXSA-N 432.542 3.777 0 40 IHAB O=C(NCc1nc2ccc(F)cc2[nH]1)[C@H](c1ccc(Br)cc1)N1CCCC1 505304267 MUMUGVWPYATUQV-IBGZPJMESA-N 431.309 3.918 0 40 IHAB CNC(=O)c1cccc([C@@H]2CN(C(=O)C(c3ccccc3)c3ccccc3)CCN2C)c1 585261774 JLUNGAAHNGKQSW-DEOSSOPVSA-N 427.548 3.693 0 40 IHAB Cc1ccc(OCC2(O)CCN(Cc3cccc(OCCn4cccn4)c3)CC2)c(C)c1 585271529 AJPBLKQWMGVILI-UHFFFAOYSA-N 435.568 3.985 0 40 IHAB COc1ccc(C(=O)Nc2nnc(SCC(=O)Nc3ccc(F)cc3)s2)cc1OC 2177994 UOMYPGIDWTVVCK-UHFFFAOYSA-N 448.501 3.678 0 40 IHAB O=S(=O)(Nc1nc2ccccc2nc1N1CCOCC1)c1cc(Cl)ccc1Cl 3168989 VGKPEHMEBNUXRS-UHFFFAOYSA-N 439.324 3.574 0 40 IHAB O=C(OCC(=O)N1CCOCC1)c1ccc(CSc2nc3ccccc3s2)cc1 3551091 COUAWBBLBPPXQG-UHFFFAOYSA-N 428.535 3.604 0 40 IHAB O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)Nc1ccccc1N1CCOCC1 8726088 WDKQWUYZOGUCRK-UHFFFAOYSA-N 443.503 3.691 0 40 IHAB C[C@@H]1CCc2c(sc(NC(=O)COC(=O)/C=C/c3ccc4ccccc4n3)c2C(N)=O)C1 8826212 OGFSLWXMHRDZRZ-CFRMROPGSA-N 449.532 3.715 0 40 IHAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 8936388 SHDOMVNQXZBPHC-UHFFFAOYSA-N 438.505 3.513 0 40 IHAB COc1ccccc1[C@H]1CC(c2ccccc2NS(C)(=O)=O)=NN1C(=O)c1ccco1 9060591 QCNYTURJSKHHGX-LJQANCHMSA-N 439.493 3.651 0 40 IHAB CS(=O)(=O)Nc1cccc(C2=NN(C(=O)c3ccco3)[C@@H](c3ccc(F)cc3)C2)c1 9126925 HOQSUAWQAOTTLJ-LJQANCHMSA-N 427.457 3.782 0 40 IHAB CCOc1ccc(N[C@H](C)C(=O)Nc2ccccc2F)cc1S(=O)(=O)N1CCCCC1 9157447 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CCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1c(C)nn(-c3ccc(C)cc3)c1C)C2=O 9983294 RSCLMOVKSVLXGV-UHFFFAOYSA-N 437.544 3.627 0 40 IHAB Cc1ccc2nc(NC(=O)CSc3ccc(NC(=O)c4ccco4)nn3)sc2c1 11739247 XWMRSDTVQOUBPI-UHFFFAOYSA-N 425.495 3.971 0 40 IHAB CCOc1ccccc1NC(=O)c1nc(S(=O)(=O)Cc2ccc(F)cc2)ncc1Cl 12063032 RAAHZBBVBDSATP-UHFFFAOYSA-N 449.891 3.894 0 40 IHAB CCn1c(N2CCC(C(=O)Nc3ccc(N4CCOCC4)cc3)CC2)nc2ccccc21 12116376 AUFDKARJTDXOSJ-UHFFFAOYSA-N 433.556 3.748 0 40 IHAB Cc1cc(C(=O)O)cc(S(=O)(=O)NC[C@H](C)c2nc3ccccc3n2C(F)F)c1C 12551668 LARZOQJQLAYBIQ-LBPRGKRZSA-N 437.468 3.828 0 40 IHAB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1 12752179 DEHSADRYCRPTTC-UHFFFAOYSA-N 434.323 3.509 0 40 IHAB O=C1N[C@]2(CCCc3ccccc32)C(=O)N1C[C@H](O)COc1ccc(Cl)cc1Cl 12870058 IUTMXAMKFLCQOP-BTYIYWSLSA-N 435.307 3.517 0 40 IHAB CCOc1ccc(C(C)=O)cc1COC(=O)c1sc2nc3n(c(=O)c2c1C)CCC3 13068314 YNPPEQWOLATGEI-UHFFFAOYSA-N 426.494 3.671 0 40 IHAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Nc2cccc(S(=O)(=O)N(CC)CC)c2)c1C 13069370 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O=C(NCc1cccc(C(F)(F)F)c1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 14790030 YNHPGGKXNCAJHT-UHFFFAOYSA-N 444.450 3.562 0 40 IHAB CC(C)NS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 15595379 KBEOALSGMZYBTF-FQEVSTJZSA-N 444.553 3.512 0 40 IHAB COc1ccc(-c2nc(NC(=O)Cn3ncn(-n4cccc4)c3=S)sc2C)cc1 16777765 DKTWWRVLTLSRKX-UHFFFAOYSA-N 426.527 3.606 0 40 IHAB O=C1C[C@@H](C(=O)Nc2ccc(C(=O)Nc3ccc(C(=O)O)cc3)cc2)C2(CCCCC2)O1 16957139 CRMXJUXOOZHGSQ-IBGZPJMESA-N 436.464 3.842 0 40 IHAB O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccnc1SC(F)F 18160367 OHKJSEXLADOKHR-UHFFFAOYSA-N 441.525 3.501 0 40 IHAB Cc1oc2c(c1C(=O)N1CC[C@H](c3ccc4c(NC5CCOCC5)n[nH]c4n3)C1)CCCC2 19705149 ARDQTWFQEMZOCN-INIZCTEOSA-N 449.555 3.959 0 40 IHAB CCOCc1cc(CN2CCC[C@H]2c2ncc(C(=O)N3CCCC3)c(C)n2)ccc1OC 19756146 FJOQCZPHYDRQHR-QFIPXVFZSA-N 438.572 3.903 0 40 IHAB Cc1nc([C@@H]2CCCCN2C(=O)c2ccc(N)nc2)ncc1C(=O)Nc1ccccc1F 19764724 VPUYDOBWBLUUKQ-IBGZPJMESA-N 434.475 3.521 0 40 IHAB O=C1C(Cl)=C(N2CCN(Cc3ccccc3)CC2)C(=O)N1c1cccc(C(F)(F)F)c1 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Cc1ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)N2CCN(c3cccc(C)c3)CC2)cc1 32907396 ZOYYOHKSJFSECX-DEOSSOPVSA-N 436.600 3.866 0 40 IHAB CCOc1ccc(-c2nc(Cn3nnc(C(=O)Nc4ccccc4OC)c3N)c(C)o2)cc1 33291740 OTJDLYDRUZSADM-UHFFFAOYSA-N 448.483 3.532 0 40 IHAB COC(=O)C[C@@H](NC(=O)NCCOc1cccc(C)c1)c1ccc(OC(F)(F)F)cc1 40151574 RHBKZUBLEBIMAG-GOSISDBHSA-N 440.418 3.876 0 40 IHAB CC(C)Cn1cnc2nc(COc3ccccc3NC(=O)c3ccccc3F)cc(=O)n21 41076906 BSLHZCZWGOXEJG-UHFFFAOYSA-N 435.459 3.517 0 40 IHAB O=C1CCCN1c1ccc(S(=O)(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)cc1 48304281 MBIZEYHDPFWOPW-NRFANRHFSA-N 447.988 3.582 0 40 IHAB CCN1CCc2nc(-c3ccc(F)cc3)n(CC(=O)Nc3cccc(C)c3C)c(=O)c2C1 49400685 NCHKCMGRAKRNDC-UHFFFAOYSA-N 434.515 3.683 0 40 IHAB CCn1cc(-c2cc(C(=O)N3CCN(Cc4ccco4)CC3)c3ccccc3n2)c(C)n1 54975069 OUDMBWJDMHBVIK-UHFFFAOYSA-N 429.524 3.978 0 40 IHAB O=C(NCc1cccc(Br)c1)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 57416487 DZAVYSTWSWKGHS-LBPRGKRZSA-N 425.685 3.911 0 40 IHAB CCOC(=O)C1=C(CN2CC=C(c3ccccc3)CC2)NC(=O)N[C@H]1c1ccccc1OC 67287477 FQHWYIAWHMHTPG-DEOSSOPVSA-N 447.535 3.656 0 40 IHAB O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1nc(N2CCCC2)ncc1Cl 71800097 JGWJHMUHFYQOIR-LJQANCHMSA-N 436.947 3.782 0 40 IHAB Cc1c(C(=O)N2CCC[C@@H](c3ccnc(Nc4cnccn4)n3)C2)[nH]c2ccc(F)cc12 72379946 RXCKKOIBAKDXJI-OAHLLOKOSA-N 431.475 3.959 0 40 IHAB CCOCc1cc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)ccc1OC 72393006 WIFPNSGQIXWABA-FQEVSTJZSA-N 434.540 3.757 0 40 IHAB CCOc1ccc(O[C@H](C)C(=O)N2CCC[C@@H](c3cc(C(F)F)n4ncnc4n3)C2)cc1 72395366 DHUQPPNPKSDUIK-HUUCEWRRSA-N 445.470 3.634 0 40 IHAB O=C(N[C@H](Cc1ccccc1)C(=O)N1CCN(C2CCCC2)CC1)OCc1ccccc1 89829964 DCKKRJUMJNBAFN-XMMPIXPASA-N 435.568 3.611 0 40 IHAB CCN1C(=O)[C@@H](NC(=O)c2cccc(I)c2C)c2cc(C)ccc21 96008236 RWVUFDLJYJOLSO-KRWDZBQOSA-N 434.277 3.746 0 40 IHAB COC(=O)[C@@H]1Oc2cc(C)oc(=O)c2[C@@H]1c1ccc(OC)c(OCc2cccc(F)c2)c1 96335786 BJGGZUGHBCPIOT-RBBKRZOGSA-N 440.423 3.741 0 40 IHAB COc1cc(C(=O)NC2CCN(c3cc(-c4cccs4)n[nH]3)CC2)cc(OC)c1OC 98212813 NDUMYISKDUJAMP-UHFFFAOYSA-N 442.541 3.563 0 40 IHAB CC(=O)N1CCc2ccccc2[C@@H]1c1c(O)[nH]c(=S)n(-c2ccccc2Cl)c1=O 100915609 ZQEULIJFCFMBGP-GOSISDBHSA-N 427.913 3.748 0 40 IHAB COC(=O)C1=CN(C(C)C)CCc2nc(-c3ccccc3)nc(NC[C@H]3CCCO3)c2C1 104028501 YFIXCUMHORTBRC-HXUWFJFHSA-N 436.556 3.600 0 40 IHAB CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N21 107177338 UTHLGSOXEIDBAC-MTQWCTHYSA-N 426.394 3.684 0 40 IHAB O=C(COc1ccccc1/C=c1\sc2nc3ccccc3n2c1=O)Nc1ccc(F)cc1 146153030 UDWVCKUOMCLMLW-BKUYFWCQSA-N 445.475 3.614 0 40 IHAB COc1ccc(CCNC(=O)[C@@H]2Cc3ccccc3CN2Cc2ccc(O)cc2)cc1OC 199427788 CPQMLGPRCPLMDT-DEOSSOPVSA-N 446.547 3.695 0 40 IHAB CCN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc(N(CC)S(=O)(=O)CC)cc1 222404745 WXBICSONPACMAI-UHFFFAOYSA-N 448.570 3.636 0 40 IHAB CCOc1ccccc1N(CCCC(=O)N[C@@H](C)COc1ccccc1C)S(C)(=O)=O 222615435 VPQUFEWRBLBGKU-IBGZPJMESA-N 448.585 3.524 0 40 IHAB CCOc1ccc(N(CCCC(=O)N[C@@H](C)COc2ccccc2C)S(C)(=O)=O)cc1 222623321 QLUDFZTZEFSJLQ-IBGZPJMESA-N 448.585 3.524 0 40 IHAB CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccc(CC)cc1 223021593 BDJKPBBEBJYXJX-MRXNPFEDSA-N 447.373 3.944 0 40 IHAB CS(=O)(=O)N(CC(=O)NCc1cccc(C(F)(F)F)c1)c1ccc(F)c(Cl)c1 223538994 BKXFOXYMYJCCQT-UHFFFAOYSA-N 438.830 3.580 0 40 IHAB CC[C@@H](C(=O)NCCOc1ccc2ccccc2c1)N(c1ccc(C)cc1)S(C)(=O)=O 223616596 XVDOGEUGUPKYSG-QHCPKHFHSA-N 440.565 3.888 0 40 IHAB CN(c1ccc(Cl)c(C(=O)NCCOc2ccccc2C(C)(C)C)c1)S(C)(=O)=O 223729598 DVOPFSRMOODZTR-UHFFFAOYSA-N 438.977 3.842 0 40 IHAB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(F)cc1 223731649 BHRLTMSYQMETJB-FGZHOGPDSA-N 438.528 3.937 0 40 IHAB COc1cccc(OCCNC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)c1 223930785 JAGOTGCSBDDPHV-UHFFFAOYSA-N 440.521 3.613 0 40 IHAB CCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1ccc(CC)cc1 225382327 NSTNHPYYTKTUFC-QHCPKHFHSA-N 426.557 3.970 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(c3cccc(Nc4ncccn4)n3)CC2)cc1F 257320962 VZMOSAFOQDXZMK-UHFFFAOYSA-N 427.505 3.631 0 40 IHAB CCc1nnc(Nc2cccc([C@@H]3CN(C(=O)c4cccc(C)c4OC)CCO3)n2)s1 257336083 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O=C1NCC2(CCN(C(=O)NCCc3ccccc3C(F)(F)F)CC2)Oc2ccccc21 1224885264 DEAFCFWLQCQEKL-UHFFFAOYSA-N 447.457 3.615 0 40 IHAB Cn1c(C(=O)NCc2cc(=O)n(-c3ccccc3)n2C)cc2cc(C(F)(F)F)ccc21 1652316490 VIXDKFBSHZEVNT-UHFFFAOYSA-N 428.414 3.617 0 40 IHAB C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]2c2cccc(F)c2)n1C[C@H]1CC[C@@H](C)C1 1693618352 YBVZUBLFDZUWKL-YLAKUSLOSA-N 449.596 3.805 0 40 IHAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1 665943 RIDBUQSTYVVMCU-MRXNPFEDSA-N 437.521 3.937 0 40 IHAB COc1cc(-c2nnn(CC(=O)Nc3ccccc3C)n2)ccc1OCc1ccccc1 924188 JKGKPNMGKFLHBX-UHFFFAOYSA-N 429.480 3.875 0 40 IHAB Cc1cc2cc(C)c3nnc(SCC(=O)NCc4ccc5c(c4)OCO5)n3c2cc1C 1223262 MGYHHSGUMVAAGW-UHFFFAOYSA-N 434.521 3.945 0 40 IHAB COc1ccc(OC)c(-c2cc(C(=O)Nc3sc4c(c3C(N)=O)CCCC4)no2)c1 2465617 NFXVZMSTVMQFPX-UHFFFAOYSA-N 427.482 3.650 0 40 IHAB COc1cc(C(=O)NCCSc2ccc(Br)cc2)cc(OC)c1OC 3133707 LAFNAEGUOJGHPW-UHFFFAOYSA-N 426.332 3.997 0 40 IHAB COc1cc(CCC(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)cc(OC)c1OC 3260592 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Cc1ccccc1NC(=O)C(=O)NCCc1csc2nc(-c3ccc(Cl)cc3)nn12 9569056 DVAONEMHSHSNRA-UHFFFAOYSA-N 439.928 3.717 0 40 IHAB Cc1ccc(SCCNC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)cc1 9889026 WQAODPCFRLEYRR-UHFFFAOYSA-N 428.579 3.677 0 40 IHAB C[C@H]1CCN(C(=O)CN2C(=O)N[C@](C)(c3cc(F)ccc3F)C2=O)c2ccccc2S1 9910333 MFAKDDTYHHXEGJ-WHEQGISXSA-N 445.491 3.649 0 40 IHAB C[C@@H]1CCc2nc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(Cl)s3)sc2C1 10187156 LAVSVGMNJYIOOJ-ZYHUDNBSSA-N 446.019 3.775 0 40 IHAB Cc1cccc2c(=O)n(CCCC(=O)Nc3nc4cc5c(cc4s3)OCCO5)cnc12 11752471 IGDCLQRXPJNROB-UHFFFAOYSA-N 436.493 3.505 0 40 IHAB COc1ccc(NC(=O)CSc2nnc([C@@H]3CC(=O)N(c4ccc(C)cc4)C3)o2)cc1 12414597 MRCZKPIPABRUFN-OAHLLOKOSA-N 438.509 3.638 0 40 IHAB COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2)cc1 12485392 OLHFMMWJUSFOQF-UHFFFAOYSA-N 426.494 3.686 0 40 IHAB CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccccc3OC)cc2)cc1 12548523 ZXSNTSSKSPNPKK-UHFFFAOYSA-N 440.521 3.825 0 40 IHAB COc1ccccc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 12557097 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CCc1nnc2sc(-c3ccc(CNC(=O)c4ccc(Br)o4)cc3)nn12 13954797 NHJGSXALLZLXCG-UHFFFAOYSA-N 432.303 3.701 0 40 IHAB O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1cccc(Cl)c1N1CCOCC1 14126863 NHCCLWMEALEGDO-UHFFFAOYSA-N 430.867 3.937 0 40 IHAB C[C@@H](NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)c1ccc(-c2ccccc2)cc1 14168959 PNOWRPVDLVYQCU-HXUWFJFHSA-N 439.515 3.603 0 40 IHAB Cc1nn(-c2ccccc2)c(Cl)c1CN1C(=O)N[C@](C)(c2ccc3c(c2)OCO3)C1=O 14241973 XMMULBSKDFVXAE-JOCHJYFZSA-N 438.871 3.530 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)NCc2ccccc2Cl)cc1 15391221 JHTYDYNQLTWJHQ-QGZVFWFLSA-N 436.961 3.598 0 40 IHAB O=C(Nc1ccc(Sc2ccc(Br)cc2)cc1)[C@@H]1CCS(=O)(=O)C1 15607369 BUQXTQRMYGBFSI-GFCCVEGCSA-N 426.357 3.974 0 40 IHAB Cc1cccc(-c2nc(Cn3c(=O)n(C[C@@H]4CCCO4)c(=O)c4ccccc43)c(C)o2)c1 15829327 AFWRETIDDAKVEZ-IBGZPJMESA-N 431.492 3.662 0 40 IHAB COc1ccc(-c2noc(-c3c(SC)nn(CC(=O)Nc4ccccc4)c3N)n2)cc1 16954847 RULLXOCFXRVBED-UHFFFAOYSA-N 436.497 3.552 0 40 IHAB COc1cccc2c1cc(C(=O)N1C[C@@H](c3ccccc3F)[C@@]3(CCCCC(=O)N3)C1)n2C 19289871 RGKRZRBKCDDJDF-AFMDSPMNSA-N 449.526 3.995 0 40 IHAB O=C(CNC(=O)c1cccc(OC(F)F)c1)OCc1cc(Cl)c2c(c1)OCCCO2 19296596 QOAOOWATWXKGCN-UHFFFAOYSA-N 441.814 3.576 0 40 IHAB COc1cc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4cccs4)n3)C2)cc2c1OCO2 19549961 JDCQTJIYCAMNMA-HNNXBMFYSA-N 425.510 3.615 0 40 IHAB CNC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CCN(C(=O)Cc2ccc(OC)cc2)C1 19591480 SHQDOQKKKZQWJH-HHHXNRCGSA-N 443.547 3.507 0 40 IHAB O=C(NCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 19867974 GWISYSJSDQCYKH-UHFFFAOYSA-N 441.380 3.852 0 40 IHAB O=C(C[C@@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n21)NCCc1ccccc1 19962189 QXYUIXXNJGZQCD-XMMPIXPASA-N 438.531 3.916 0 40 IHAB COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1cc(Cl)sc1Cl 20627695 QKXILDXTBQHAQZ-UHFFFAOYSA-N 426.299 3.660 0 40 IHAB Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCCCC2)c(C)c1 22246496 IDLYXCWGYNASMF-QFIPXVFZSA-N 428.598 3.904 0 40 IHAB CCOc1ccc(CCCNC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1 22330255 YOIWCDHXXCTKOT-UHFFFAOYSA-N 432.586 3.724 0 40 IHAB CCOc1cccc(CNC(=O)CN(c2ccccc2F)S(=O)(=O)c2cccs2)c1 22396747 RZOKJQOCNDVQPV-UHFFFAOYSA-N 448.541 3.798 0 40 IHAB CCc1nc2sc([C@H](c3ccc(Cl)cc3Cl)N3CCN(C)CC3)c(O)n2n1 22854429 RYEOFQIGJGKCMK-HNNXBMFYSA-N 426.373 3.702 0 40 IHAB Cc1cccc(NC(=O)CN2CCN(CCC(=O)Nc3ccccc3Cl)CC2)c1C 22930840 DSDIREZBKBURBC-UHFFFAOYSA-N 428.964 3.542 0 40 IHAB COc1cc(NC(=O)CN2CCN(Cc3csc4ccccc34)CC2)cc(OC)c1 22934435 MWCHAUNHSFTPBS-UHFFFAOYSA-N 425.554 3.675 0 40 IHAB CC[C@H](C)c1ccc(NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2cccc(C)c2)cc1 22962974 IEFOGEOUQHXEOJ-UWJYYQICSA-N 430.570 3.680 0 40 IHAB COc1cccc(NC(=O)C[C@H]2C(=O)N(Cc3cccnc3)c3nc4ccccc4n32)c1 23411304 SPHFRXGNJPTDTH-NRFANRHFSA-N 427.464 3.557 0 40 IHAB CN(Cc1ccccc1N1CCCC1)C(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3 24190774 RLIWINZVWLCBFA-UHFFFAOYSA-N 432.520 3.919 0 40 IHAB O[C@H](COCc1ccccc1F)CN1CCN(Cc2csc(-c3ccccc3)n2)CC1 25306919 KIDIYVLRXBVMKJ-QFIPXVFZSA-N 441.572 3.645 0 40 IHAB Cc1ccc(C(=O)CCC(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)s1 25920128 FMKBYEAPOGOYLE-UHFFFAOYSA-N 427.522 3.912 0 40 IHAB COc1cc(OC)cc([C@@H](NC(=O)Cc2csc(-c3ccco3)n2)c2nccn2C)c1 26190506 ZNGGFNSMERJWCS-HXUWFJFHSA-N 438.509 3.602 0 40 IHAB CCN(C[C@H]1COc2ccccc2O1)C(=O)COc1cc2oc(=O)cc(C)c2cc1Cl 27671779 IFROTYFDYYONHN-HNNXBMFYSA-N 443.883 3.822 0 40 IHAB O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCc2nc(-c3ccccc3)ncc2C1 32916411 HBNCBPSAOKSOHL-UHFFFAOYSA-N 435.427 3.789 0 40 IHAB COc1ccccc1CNS(=O)(=O)c1ccc(OC)c(-c2noc(C(C)(C)C)n2)c1 33013431 VHSRBUMWICLZKH-UHFFFAOYSA-N 431.514 3.530 0 40 IHAB CN1C(=O)[C@]2(Nc3ccccc3C(=O)N2C[C@H](c2ccccc2)N(C)C)c2ccccc21 36353973 ZUMVUJUNFASJBG-BVAGGSTKSA-N 426.520 3.687 0 40 IHAB COc1cccc(C2=NO[C@]3(CC(=O)N(c4cccc(C(F)(F)F)c4)C3=O)C2)c1OC 40287261 JLHCUPHDAHLBAQ-FQEVSTJZSA-N 434.370 3.549 0 40 IHAB Cc1ccc(NC(=O)CSc2nccnc2N2CCSCC2)c(Br)c1 48987255 IALXBZFIHLXNJT-UHFFFAOYSA-N 439.404 3.832 0 40 IHAB O=c1[nH]c(=O)c2c(-c3ccc(Br)cc3)c3c(-c4ccccc4)n[nH]c3nc2[nH]1 72332767 STLWYBBLOIWXEL-UHFFFAOYSA-N 434.253 3.584 0 40 IHAB 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CCc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3OC)C2)cc1 408556563 DMHJSEMQQXRXEO-MRXNPFEDSA-N 436.961 3.950 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(CC)cc3)CC2)cc1C 408557164 LSUQZJGYLYXXLK-UHFFFAOYSA-N 430.570 3.996 0 40 IHAB CCc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)cc2)cc1 408669528 WKGVOBYDMCYCKM-OYRHEFFESA-N 432.476 3.500 0 40 IHAB COc1ccc(OC)c(NC(=O)c2ccc(OC)c(S(=O)(=O)NC3CCCCC3)c2)c1 408680063 YICVNSAETALICX-UHFFFAOYSA-N 448.541 3.576 0 40 IHAB Cc1cc(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)cc(S(N)(=O)=O)c1C 531282764 HOIMKEHJDZHQEQ-UHFFFAOYSA-N 438.509 3.847 0 40 IHAB CC1(C(=O)N2CC[C@@]3(CN(Cc4ccccc4)C(=O)O3)C2)CCN(Cc2ccccc2)CC1 585261984 FGOAEQFNQBRJDI-MHZLTWQESA-N 447.579 3.912 0 40 IHAB CC(=O)NCCCOc1ccc(CN2CCC[C@@](O)(COc3ccc(C)cc3)CC2)cc1 585280593 QHELXABDACZIGA-SANMLTNESA-N 440.584 3.696 0 40 IHAB COCC(=O)N1CCCCCCCN(Cc2nccs2)Cc2cc(C(=O)O)ccc21 643583035 HVERHGPLMXIZLV-UHFFFAOYSA-N 431.558 3.787 0 40 IHAB CCn1c(COc2ccccc2C)nnc1SCC(=O)Nc1ccc2c(c1)OCO2 881630 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Cc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)Nc4ccc5c(c4)CCC5)CC3)CC2=O)cc1 9191095 VMCBRRVPKVNQGE-JOCHJYFZSA-N 445.563 3.714 0 40 IHAB CCN(C(=O)Cn1ccn2nc(-c3ccc(OC)c(OC)c3)cc2c1=O)c1cccc(C)c1 9327552 UMZRSRGMHFRWEF-UHFFFAOYSA-N 446.507 3.542 0 40 IHAB CCOc1ccc(NC(=O)CSc2nc3[nH]ncc3c(=O)n2-c2ccccc2CC)cc1 9434223 UXTIONQWTZRDCI-UHFFFAOYSA-N 449.536 3.801 0 40 IHAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCSc1ccc(Cl)cc1 9588691 AOWZAZIYOCBHEY-UHFFFAOYSA-N 428.963 3.720 0 40 IHAB Cc1nc2cc(NC(=O)c3ccc(S(=O)(=O)N(C)C[C@@H]4CCCO4)cc3)ccc2s1 9599522 ADWQAKDQBVAPAI-KRWDZBQOSA-N 445.566 3.657 0 40 IHAB C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N[C@@H]2CCCc3ccccc32)C1=O 9602508 ZUMXEDNOIQXZHY-ATIYNZHBSA-N 427.504 3.801 0 40 IHAB O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)Nc1ccc(-c2ccccc2)cc1 9640956 GZTDHTZWMFQYSL-VWLOTQADSA-N 427.460 3.522 0 40 IHAB COc1cccc(NC(=O)Cc2csc(NC(=O)c3cc(OC)cc(OC)c3)n2)c1 9659234 XPQCOLFLVCQULT-UHFFFAOYSA-N 427.482 3.602 0 40 IHAB NC(=O)[C@H]1CCCN(C(=O)CSc2nc(-c3cccs3)c(-c3cccs3)[nH]2)C1 9739292 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COCCCNC(=O)CN(C)c1ncnc2scc(-c3ccc(Br)cc3)c12 12735266 VGCCXJLFNQCPJK-UHFFFAOYSA-N 449.374 3.710 0 40 IHAB O=C(CCC1CCCCC1)N1CCN(S(=O)(=O)c2ccccc2Br)CC1 12745484 NPFPXDMXMYIHCO-UHFFFAOYSA-N 443.407 3.643 0 40 IHAB CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CCNC(=O)c1ccc(Cl)cc1 12914907 QLRYYGKXNLAGJI-UHFFFAOYSA-N 442.730 3.864 0 40 IHAB Cc1ccc(OCCN(C)C(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1 13007652 QONOSQXKIWCNKJ-UHFFFAOYSA-N 430.570 3.629 0 40 IHAB Cc1cc(C)n(-c2ccc(Nc3ccc(NS(=O)(=O)c4cccc(F)c4)cc3)nn2)n1 13010167 OBNVBEUZWNBDLS-UHFFFAOYSA-N 438.488 3.963 0 40 IHAB CNc1nnc(SCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)s1 13127767 IDMBGOWXCMWGTK-ZDUSSCGKSA-N 427.555 3.802 0 40 IHAB CCc1nn2c(=O)cc(COc3cccc(NC(=O)c4ccc(OC)cc4)c3)nc2s1 13368104 NVEAILBSBJXEAB-UHFFFAOYSA-N 436.493 3.553 0 40 IHAB COc1ccc(C(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)cc1Cn1cccn1 13566571 BGVMNLBCCSIHPH-HSZRJFAPSA-N 441.535 3.992 0 40 IHAB COc1ccc([C@H]2CC(=O)N(c3ccc(Cl)cc3)C3=C2C(=O)OC3)c(OC)c1OC 13567564 WZEFBCDWJMMJER-OAHLLOKOSA-N 429.856 3.697 0 40 IHAB CCOc1cccc2cc(-c3csc(NC(=O)C4CCN(S(C)(=O)=O)CC4)n3)oc12 13705085 OGIOYLZDTZISBB-UHFFFAOYSA-N 449.554 3.565 0 40 IHAB COc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1S(=O)(=O)N(C)C 13943911 FFKACOMTYUZEOI-UHFFFAOYSA-N 440.521 3.777 0 40 IHAB Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2cccs2)cc1I 14021285 KEUCLXCSXQFUAS-AWEZNQCLSA-N 440.306 3.904 0 40 IHAB CCCn1nc(C(=O)O[C@@H](C)c2nnc(-c3ccc(OC)cc3)o2)c2ccccc2c1=O 14246773 KWHXKHMPWIADPD-AWEZNQCLSA-N 434.452 3.783 0 40 IHAB CC(C)CC(=O)NC(=S)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1 14271772 QSVOWQHIYVOVME-UHFFFAOYSA-N 448.976 3.755 0 40 IHAB COC(=O)c1c(CN2CCN(C(=O)C3CC3)CC2)nc2ccccc2c1-c1ccccc1 15481584 VCZCZLKAANOVDG-UHFFFAOYSA-N 429.520 3.743 0 40 IHAB CCOc1ccc2nc(NC(=O)c3cc(S(=O)(=O)N(C)C)ccc3Cl)sc2c1 16051184 LQEPFGWFQCORHH-UHFFFAOYSA-N 439.946 3.851 0 40 IHAB CCSc1nnc(NC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)s1 16097371 VEVWJHBTESFJKK-STQMWFEESA-N 440.616 3.569 0 40 IHAB CS(=O)(=O)NCCc1ccc(C(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)s1 17248459 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0 40 IHAB CCn1c(C)cc(O)c([C@H](c2ccc(Cl)cc2)N2CCN(c3ccccn3)CC2)c1=O 22697087 GFIVSJWEEUVJSL-QHCPKHFHSA-N 438.959 3.842 0 40 IHAB CCn1c(SC[C@@H]2CSc3nnc(-c4ccncc4)n32)nc2ccsc2c1=O 26128998 LQLFCNNJAJQJNW-GFCCVEGCSA-N 428.568 3.571 0 40 IHAB Cc1ccc(-c2csc(NC(=O)CCNS(=O)(=O)c3ccc(F)cc3)n2)s1 29311958 LBOABUGFVSAGGQ-UHFFFAOYSA-N 425.532 3.626 0 40 IHAB CSCC[C@H](NC(=O)c1cc(S(C)(=O)=O)ccc1Cl)c1nc2ccccc2[nH]1 31507556 TUNDDBBNJMQVEH-KRWDZBQOSA-N 437.974 3.844 0 40 IHAB COc1ccc(C)cc1[C@@H](C)NC(=O)c1sc(-c2c(C)c(C)nn(C)c2=O)nc1C 32714910 CIWYJPFFQLRGAN-CQSZACIVSA-N 426.542 3.637 0 40 IHAB O=C(Nc1ccc(-n2cnc3ccccc32)nc1)c1ccc(S(=O)(=O)C(F)F)cc1 32796662 SPBNMPOZHAIIGR-UHFFFAOYSA-N 428.420 3.669 0 40 IHAB CCOC(=O)C1=C(CN2CCc3sccc3[C@@H]2c2ccccc2)NC(=O)N[C@H]1CC 34867711 MVCPUTXYWLBWHP-UWJYYQICSA-N 425.554 3.604 0 40 IHAB COc1ccc(S(=O)(=O)Cc2ccc(-c3nc(-c4cccc(OC)c4)no3)o2)cc1 38487042 QVZNERPRXGAYHS-UHFFFAOYSA-N 426.450 3.988 0 40 IHAB CC(=O)NCCc1ccc(C(=O)CSc2nnc(-c3ccc(C)cc3)n2C)cc1F 40123073 VPXYPKJSSCYAIQ-UHFFFAOYSA-N 426.517 3.583 0 40 IHAB O=C(COc1ccc(Cl)cc1)Nc1cc(-c2ccccc2)nn1[C@H]1CCS(=O)(=O)C1 41024798 RPNHBLBKKSQJDZ-KRWDZBQOSA-N 445.928 3.581 0 40 IHAB COc1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1OC 44899988 PTMMBGUSLAOVKK-UHFFFAOYSA-N 440.521 3.743 0 40 IHAB Cc1ccc(C)c([C@H](C)NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 44905955 LVVSFIPKAZELRX-YWZLYKJASA-N 436.961 3.751 0 40 IHAB CCOc1ccc(Oc2ccc(S(=O)(=O)N[C@H](C)C(=O)NC3CCCC3)cc2)cc1 48303421 SVACAHOKMBOFOK-MRXNPFEDSA-N 432.542 3.603 0 40 IHAB Cc1cc(NS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)ccc1-n1cccc1C(=O)O 58185303 LYRKBPDZPTWPEH-UHFFFAOYSA-N 439.493 3.560 0 40 IHAB Cc1ccc(-n2cnnn2)cc1NC(=O)c1cc(Br)c(Br)s1 59284000 QDHOCIZJCVANHA-UHFFFAOYSA-N 443.124 3.810 0 40 IHAB O=C(CSc1nnc(NC(=O)c2cc(-c3ccco3)on2)s1)OCc1ccccc1 70635142 LFTYOOVFULACJE-UHFFFAOYSA-N 442.478 3.874 0 40 IHAB Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)NCc1cccc(Oc2ccccc2)c1 71808708 IEKDCQVKGFIGAH-UHFFFAOYSA-N 426.476 3.792 0 40 IHAB CCn1c(SCc2csc(CC(=O)NC)n2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 72307083 OXDRCPMLBTXEEJ-LLVKDONJSA-N 448.639 3.640 0 40 IHAB Cc1nc(C)c(C(=O)N2CC[C@H](c3c(C(=O)N4CCOCC4)sc4ccccc34)C2)o1 72352484 IFMHHXUBUKABRM-INIZCTEOSA-N 439.537 3.608 0 40 IHAB Cc1cnc(C(=O)N2CCCC[C@@H]2c2nc(C)c3c(n2)N(CC2CCCCC2)C(=O)C3)cn1 72371874 NEWCYSLBQKFCGH-OAQYLSRUSA-N 448.571 3.720 0 40 IHAB C1CCc2c(sc3nc(CN4CCOCC4)nc(NC[C@@H]4CSCCS4)c23)C1 79061589 KQMBYXXUMZCFEO-CQSZACIVSA-N 436.672 3.663 0 40 IHAB O=C(NC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cc(-c2ccco2)nn1-c1ccccc1 95444150 NTBBGLGCDGRURN-HXUWFJFHSA-N 440.503 3.911 0 40 IHAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CC[C@H](S(=O)(=O)c2ccccc2)C1 96025379 XEDCPJZONUHJNO-INIZCTEOSA-N 430.913 3.992 0 40 IHAB CC(C)n1cnc([C@H]2CN(C(=O)c3ccccn3)c3ccc(C(=O)N4CCCCC4)cc32)n1 96156422 XRQZQYAWFMPZCA-FQEVSTJZSA-N 444.539 3.672 0 40 IHAB CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCC(=O)Nc1ccc(Cl)cc1 101164244 MFZUNFNWAHFQIE-UHFFFAOYSA-N 443.960 3.921 0 40 IHAB Cc1ccccc1-c1noc(CN2N=N[C@@H]3C(=O)N(c4ccc(C(C)C)cc4)C(=O)[C@@H]32)n1 101262366 AEJGYEDVKNVTJQ-VQTJNVASSA-N 430.468 3.662 0 40 IHAB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3CC4)c2C(N)=O)C1 102335183 WMSULPLDRZCYDX-HLNSEHPISA-N 430.570 3.850 0 40 IHAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc(Cl)c1OCC 205909386 KHANOQAQFFVUGR-LFIBNONCSA-N 438.933 3.796 0 40 IHAB COc1ccc2[nH]cc(/C=C(\NC(=O)c3ccccc3)C(=O)NCCN3CCCCC3)c2c1 215697949 JKAGQBHRBFDLSG-JLPGSUDCSA-N 446.551 3.550 0 40 IHAB COc1ccc(-c2noc(CN(C)C(=O)COc3ccc(C(C)C)cc3)n2)c(OC)c1 218963679 NPGQLMLOYJQWFB-UHFFFAOYSA-N 425.485 3.915 0 40 IHAB CCOc1ccccc1NC(=O)[C@@H](C)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 220190531 PDNMGHLBXVYVIJ-CYBMUJFWSA-N 430.448 3.897 0 40 IHAB COc1ccc(N(CCCC(=O)NCc2ccc3ccccc3c2)S(C)(=O)=O)cc1 222810770 SXUAJOSCZYSOLS-UHFFFAOYSA-N 426.538 3.711 0 40 IHAB CC(C)(Cc1ccccc1)NC(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 224305356 FVZJBCPFDYGGPA-QHCPKHFHSA-N 442.625 3.799 0 40 IHAB CCOc1cccc(CNC(=O)c2ccc(CN(C)S(=O)(=O)c3ccccc3)cc2)c1 224413866 YYLIOSGADWBQFU-UHFFFAOYSA-N 438.549 3.836 0 40 IHAB Cc1ccc([C@H](NS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)c2ccccc2)cc1 224978173 UVHCBOXAJCEEHA-QGZVFWFLSA-N 430.555 3.509 0 40 IHAB CN([C@@H](C(=O)N[C@@H]1CC2(CCCCC2)Oc2ccccc21)c1ccccc1)S(C)(=O)=O 225076129 IIASDJQBYJLCNS-IFMALSPDSA-N 442.581 3.962 0 40 IHAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)s2)c1 225115239 CUBFFJODENGLQA-UHFFFAOYSA-N 442.444 3.918 0 40 IHAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)COc1ccc(OC)cc1 225523489 KQOFPMDTGJMFQS-VWLOTQADSA-N 446.547 3.769 0 40 IHAB COc1ccc(NC(=O)C2(NS(=O)(=O)Cc3ccc(Cl)cc3F)CC2)cc1Cl 225928815 RUUINDMBMLYSAC-UHFFFAOYSA-N 447.315 3.732 0 40 IHAB COc1ccc(NS(=O)(=O)c2cc(Br)c(N)c(Br)c2)cc1 226306216 KZAJHAMHKSPQIX-UHFFFAOYSA-N 436.125 3.603 0 40 IHAB O=C(N1CCC[C@H](c2cnccn2)C1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 257242478 ICTAZZDYEJSSSS-INIZCTEOSA-N 433.961 3.623 0 40 IHAB Nc1ccc(C(=O)N2CCO[C@@H](c3cccc(Cc4ccccc4C(F)(F)F)n3)C2)cn1 257256822 KNAQRTRRFQQIKV-HXUWFJFHSA-N 442.441 3.882 0 40 IHAB CC1(C)CCC2(CCN(CC(=O)Nc3cccc4ccccc34)CC2)CN1S(C)(=O)=O 257282926 OVXJCKPTCJNWLT-UHFFFAOYSA-N 443.613 3.695 0 40 IHAB CCOc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2cccc3ccccc23)CC1=O 408656787 JDTRDDPOVDCWQG-SFHVURJKSA-N 432.476 3.773 0 40 IHAB Cc1cc(C)cc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)c1 408661223 OKUSQOCWBULAEB-NHCUHLMSSA-N 432.476 3.555 0 40 IHAB Cc1ccc([C@@H]2[C@@H](NC(=O)c3cccc(C)c3)C(=O)N/[N+]2=C\c2ccccc2Cl)cc1 409060100 SQWKUKAMHHIBBR-VNGKGULCSA-O 432.931 3.973 0 40 IHAB COCCN1C(=O)S/C(=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)C1=O 409141926 JRBXWZBJXGXGKF-LDADJPATSA-N 430.457 3.526 0 40 IHAB CSc1ccccc1NC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1Cl 409386529 MDIXHNFECXRQNK-UHFFFAOYSA-N 428.963 3.766 0 40 IHAB O=C(c1ccccc1)N1CCO[C@@]2(C1)C(=O)N(Cc1cccs1)C[C@H]2c1ccccc1 585107175 QLSMSZRRLWJAJC-WIOPSUGQSA-N 432.545 3.786 0 40 IHAB Cc1c(C)n(C[C@H](O)CN(C)Cc2ccc(OCCN3CCCC3=O)cc2)c2ccccc12 585270555 MLLVJLLOYGPLJY-HSZRJFAPSA-N 449.595 3.752 0 40 IHAB COC(OC)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 841993 GMCHMIAPWREGBP-KWMZMRFFSA-N 425.484 3.856 0 40 IHAB CCOC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cccc(Br)c1 1073842 MRNXGEXTEVMGJH-HNNXBMFYSA-N 442.265 3.813 0 40 IHAB biogenic,in-vitro CCOC(=O)c1ccc(OCc2c(Br)c(=O)n(-c3ccccc3)n2C)cc1 2549924 AAJLQSNYGIBQPV-UHFFFAOYSA-N 431.286 3.694 0 40 IHAB O=C(COc1ccc2c(C(F)(F)F)cc(=O)oc2c1)N1CCN(c2ccccc2)CC1 2645202 DPVLWVXUKAZTNE-UHFFFAOYSA-N 432.398 3.539 0 40 IHAB C[C@H](OC(=O)CCc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1nc(-c2ccccc2)cs1 2648973 RNEBXDUHTMRSMS-AWEZNQCLSA-N 448.504 3.550 0 40 IHAB O=C(COC(=O)c1ccc(I)cc1)Nc1ccc(Cl)cc1F 3232820 ILNHCPNZQRNNER-UHFFFAOYSA-N 433.604 3.879 0 40 IHAB COc1cc(OC)cc(C(=O)N[C@H](C(=O)NCc2cccc(C(F)(F)F)c2)C(C)C)c1 3450422 FNJQNZAWNXULIQ-IBGZPJMESA-N 438.446 3.793 0 40 IHAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccccc1SCC(=O)N1CCCC1 3528836 PWTNDMRIJTWFFO-KRWDZBQOSA-N 438.549 3.536 0 40 IHAB O=C1CC(=O)N(c2ccccc2)C(SCC(=O)NC(c2ccccc2)c2ccccc2)=N1 8721716 COXOKPVRCYJRCT-UHFFFAOYSA-N 443.528 3.945 0 40 IHAB COc1ccc(-c2[nH]nc3c2CN(C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)CC3)cc1 9130667 HDNLDWCRCOFWPV-BJMVGYQFSA-N 449.507 3.709 0 40 IHAB CCN(CC)CCC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 9139471 CVOIPTMSKKZDPX-LJQANCHMSA-N 443.613 3.678 0 40 IHAB O=C(NC1CC1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 9234530 YCCRJUHTCWWISZ-GFCCVEGCSA-N 432.307 3.877 0 40 IHAB CC/C(Nc1ccc(NC(C)=O)cc1)=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 9423980 VYPQCMAQRMPSBF-ISLYRVAYSA-N 426.860 3.657 0 40 IHAB O=C(CN1C(=O)S/C(=C\c2ccco2)C1=O)NCCc1c[nH]c2ccc(Cl)cc12 9429707 KUHMLAYNEVPKQW-MFOYZWKCSA-N 429.885 3.810 0 40 IHAB CN(C)S(=O)(=O)c1ccc2oc(S[C@H](C(=O)N3CCCC3)c3ccccc3)nc2c1 9477943 SAYDFXBOSSEWMW-IBGZPJMESA-N 445.566 3.534 0 40 IHAB O=C(COC(=O)CCS(=O)(=O)c1ccc2ccccc2c1)Nc1ccccc1Cl 9525827 DJZOYTAGFQNVTL-UHFFFAOYSA-N 431.897 3.839 0 40 IHAB COc1ccc(-c2cc(C(=O)NCCC(=O)N3CCCC3)c3ccccc3n2)cc1OC 9595158 ZASKGTNTMQXKIK-UHFFFAOYSA-N 433.508 3.661 0 40 IHAB O=C(CSc1ccc2nnc(-c3cccnc3)n2n1)Nc1ccc(C(F)(F)F)cc1 9599824 YBMRFXITXUIRER-UHFFFAOYSA-N 430.415 3.936 0 40 IHAB C[C@H](OC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)C(=O)NC1CCCCC1 9702645 NRQZUPZPHKVRKS-HNNXBMFYSA-N 426.513 3.610 0 40 IHAB O=C(COc1ccc(-c2nc3ccccc3s2)cc1)N1CCN(C(=O)c2ccco2)CC1 9836715 SMDVROLIFHUNNA-UHFFFAOYSA-N 447.516 3.920 0 40 IHAB CC(=O)NCCc1ccc(C(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)s1 10025465 VRPUECWISGOHJI-UHFFFAOYSA-N 437.546 3.748 0 40 IHAB Cc1ccc(C)c(CSc2nc(N)c(NC(=O)c3ccc(Br)o3)c(=O)[nH]2)c1 10243517 XNIOOEZKMWKBSQ-UHFFFAOYSA-N 449.330 3.869 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3cccc(Cl)c3Cl)CC2)cc1 11001009 TYCROYTWEQNRKK-UHFFFAOYSA-N 427.353 3.839 0 40 IHAB C[C@H]1C[C@H](C)CN([C@@H]2CC(=O)N(c3ccc(Br)cc3Br)C2=O)C1 12417519 RCXIBGQGEIVURL-ZIBATOQPSA-N 444.167 3.821 0 40 IHAB Cc1csc(SCC(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)n1 12549726 ANJCZNCLOVXTPU-UHFFFAOYSA-N 425.601 3.747 0 40 IHAB COc1ccc(OC)c(NC(=O)[C@@H](C)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 12549915 MABXFTOUUZDPFQ-OAHLLOKOSA-N 437.462 3.872 0 40 IHAB COc1ccc(-c2noc(CN(C)C(=O)COc3ccc(Cl)c(C)c3)n2)cc1OC 12654616 IOIJNRDGGXSGIS-UHFFFAOYSA-N 431.876 3.753 0 40 IHAB O=C(c1ccco1)N1CCN(CC(=O)N2c3ccccc3SC[C@@H]2c2ccccc2)CC1 12737857 WOZDMQZFWXJBHQ-OAQYLSRUSA-N 447.560 3.918 0 40 IHAB COc1ccc(C(=O)C2CCN(C(=O)CCC(=O)N3CCC(c4ccccc4)=N3)CC2)cc1 12742405 YVBQMHBKQJJFOD-UHFFFAOYSA-N 447.535 3.533 0 40 IHAB CCOc1cc(/C=C/C(=O)N[C@H](CN2CCOCC2)c2ccccc2)cc(Cl)c1OC 12781794 AQARUYVQNHSPAZ-LCCNJJIFSA-N 444.959 3.950 0 40 IHAB C[C@H](C(=O)Nc1ccc(Br)cc1)N1CCC(C(=O)NCc2ccccc2)CC1 12783451 ZTFRHLNKVFMZSM-MRXNPFEDSA-N 444.373 3.805 0 40 IHAB COc1ccc(NC(=O)CN(C)C(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1 12912742 ZLMJZGXHVBZEFV-UHFFFAOYSA-N 434.492 3.994 0 40 IHAB COc1ccc(OCC(=O)NCCN2C(=O)S/C(=C\c3ccc(Cl)cc3)C2=O)cc1 13060209 ZCUDIXBHGCBAED-PDGQHHTCSA-N 446.912 3.580 0 40 IHAB Cc1ccc(Cn2cc(/C=C/C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)c(-c3ccccc3)n2)cc1 13164244 BEDYKNDUOBEWCM-MDRMPYQZSA-N 449.576 3.566 0 40 IHAB CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n(C2CCCC2)c1=O 13641560 QJWIKMKAGFNAJH-UHFFFAOYSA-N 446.555 3.571 0 40 IHAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NCCSCc1ccc(Cl)c(Cl)c1 13688798 AGKWJUWBOYAECC-GASCZTMLSA-N 441.380 3.684 0 40 IHAB O=C(CSc1nnc(-c2ccncc2)n1-n1cccc1)Nc1ccc(F)c(Cl)c1 15882531 XIYOUEOYJNTHBY-UHFFFAOYSA-N 428.880 3.976 0 40 IHAB COc1ccc(OC)c(NC(=O)CSc2nnc(NC(=O)Nc3ccccc3)s2)c1 15882719 RYUOWAWHBSWOAA-UHFFFAOYSA-N 445.526 3.930 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CSc2nnc(COc3cccc(OC)c3)o2)cc1 17227388 QGAFWHYYLAIUOS-UHFFFAOYSA-N 443.481 3.565 0 40 IHAB Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(C(=O)N3C[C@H](C)O[C@H](C)C3)cc2)c1C 18120543 WVZCBSSBRRDPJB-CALCHBBNSA-N 430.570 3.970 0 40 IHAB COc1ccc(CN2CCc3nc([C@H]4CCCN4C(=O)[C@H]4CC=CCC4)nc(O)c3C2)cc1 19555505 BNQWYXJCFUPZJG-WMZHIEFXSA-N 448.567 3.769 0 40 IHAB Cc1nc([C@H]2CCCN2C(=O)c2ccncc2)nc2c1CCC(=O)N2CCc1ccccc1 19696073 NFLZILDYLQVPJR-JOCHJYFZSA-N 441.535 3.679 0 40 IHAB Cc1nc([C@@H]2CCCCN2C(=O)Cn2cccn2)nc2c1CCCN2CCc1ccccc1 19706276 FTQDORVWWIJNPN-QHCPKHFHSA-N 444.583 3.731 0 40 IHAB CC(=O)N[C@H]1C[C@@H](CCNC(=O)c2cccc3ncccc23)O[C@@H](c2ccccc2F)C1 19712432 AJKAICOAIFSAPO-HOOSLVGPSA-N 435.499 3.919 0 40 IHAB CCN(CC(=O)Nc1cccc(Cl)c1C)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930148 FSWNLCNNDHOXPI-UHFFFAOYSA-N 431.341 3.960 0 40 IHAB COc1cc(Br)c(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1OC 20903609 NJVHNQGDZMWTCK-UHFFFAOYSA-N 447.373 3.790 0 40 IHAB Cn1ccnc1[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1)c1ccc(Cl)cc1 21601020 HDHSCMKRZHAYEY-FOIQADDNSA-N 443.334 3.986 0 40 IHAB C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(F)c2)C1=O)c1ccc2ccccc2c1 23883502 MFJMITLALOOXQV-LFPIHBKWSA-N 437.446 3.762 0 40 IHAB O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCN(Cc2nc3ccccc3s2)CC1 24002149 XMDCXZIAPHDXHV-FQEVSTJZSA-N 437.565 3.812 0 40 IHAB Cc1csc(CC(=O)N2CCN(Cc3ccc(C(=O)Nc4ccccc4)cc3)CC2)n1 24574298 ZMRVTNVWKIYRLX-UHFFFAOYSA-N 434.565 3.591 0 40 IHAB CN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 24613356 JMRLBOWHGXZCAE-UHFFFAOYSA-N 438.952 3.680 0 40 IHAB CCOC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cccc3cccnc23)CC1 24715928 RDOTXWLEDVOTIA-JOCHJYFZSA-N 437.927 3.950 0 40 IHAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NC[C@H](C(C)C)N3CCOCC3)cc12 24968871 VHPDWGHXSWMMAT-HXUWFJFHSA-N 444.576 3.680 0 40 IHAB O=C(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)[C@H](Cc1ccccc1)n1cnnn1 26923076 YZNHVROMKWHQIY-DHLKQENFSA-N 436.519 3.887 0 40 IHAB O=C(NCCSCc1ccc(Br)s1)[C@H]1CCCN(c2cnccn2)C1 30201491 UAEWJBLHTZMYFH-ZDUSSCGKSA-N 441.420 3.567 0 40 IHAB COc1ccc(N2C[C@@H](C(=O)N[C@H](CCSC)c3nc4ccccc4[nH]3)CC2=O)cc1 32765636 YTSXTZYJTXTNCI-MGPUTAFESA-N 438.553 3.535 0 40 IHAB COc1ccccc1[C@@H](C)N(C)C(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 32796595 QDBLMJGHKDNJMN-GOSISDBHSA-N 430.570 3.949 0 40 IHAB CCOC(=O)COc1ccc([C@@H](C)NC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1OC 32916082 LTWIGKRKZFBZQD-OQRGYWNNSA-N 443.496 3.545 0 40 IHAB CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1[C@@H](C)NC(=O)c1ccccc1F 33744176 AQFSURVXBXWNGD-OAHLLOKOSA-N 441.532 3.967 0 40 IHAB CSc1cccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)c1 38852589 MWMZUFYVNIVPCU-LJQANCHMSA-N 434.583 3.872 0 40 IHAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)CCc1c(C)c2ccc(OC)cc2oc1=O 40013759 BFRTYOAYCXXFDC-UHFFFAOYSA-N 437.492 3.863 0 40 IHAB Cc1ccc(NC(=O)COc2cc(C)nc(N3CCN(c4ccccc4)CC3)n2)c(C)c1 44170266 OZLOHEQMIMSPMK-UHFFFAOYSA-N 431.540 3.746 0 40 IHAB Cc1ccc(C)c(NC(=O)Cn2c(=O)n(-c3ccc(F)c(C)c3)c(=O)c3sccc32)c1 57494496 FIYIJXCQWWRPRY-UHFFFAOYSA-N 437.496 3.917 0 40 IHAB CCc1c(C)sc2ncn([C@@H]3CCCN(C(=O)CCn4ncc5ccccc54)C3)c(=O)c12 72347738 PZGGTPPKKVJOOH-GOSISDBHSA-N 449.580 3.932 0 40 IHAB Cc1nn(C)cc1S(=O)(=O)N1CCC[C@H](c2cccc(Cc3ccccc3Cl)n2)C1 72350162 UCPTUANTYXENNV-SFHVURJKSA-N 444.988 3.936 0 40 IHAB Cc1cc(-c2cnc(N)nc2)cc([C@@H]2CCCN(C(=O)CCOc3cccc(F)c3)C2)n1 72353725 NQEREPXMNFNIPF-QGZVFWFLSA-N 435.503 3.743 0 40 IHAB CCCn1cc(S(=O)(=O)N2CCC[C@@H]2c2cccc(Nc3ncccc3C)n2)c(C)n1 72375823 RXVGFTNSHNFBCA-LJQANCHMSA-N 440.573 3.969 0 40 IHAB CCOC(=O)[C@@]1(Cc2cc(-c3ccc(F)cc3)no2)CCCN(Cc2cnn(C)c2C)C1 72394037 VJRISNSJNVFZQA-XMMPIXPASA-N 440.519 3.911 0 40 IHAB CC(C)c1[nH]c2ncccc2c1[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cnn(C)c1 72395512 DRJGLVFNJBDDLG-FGZHOGPDSA-N 442.567 3.818 0 40 IHAB COC(=O)c1cc(C(=O)N[C@H](C)c2ccc(-n3nc(C)cc3C)cc2)n(-c2ccccc2)n1 78994044 CIYCTADUNGQRFV-GOSISDBHSA-N 443.507 3.952 0 40 IHAB COc1cc([C@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)c(Br)cc1O 95381830 VGWDFXACJVBKKS-BUXKBTBVSA-N 433.302 3.909 0 40 IHAB CC(C)(C)c1ccccc1NC(=O)CN1C(=O)N[C@]2(CCc3cc(Cl)ccc32)C1=O 95430252 WHHRZJIFZDRWAK-QHCPKHFHSA-N 425.916 3.970 0 40 IHAB COc1ccc(C(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2ccccc2)cc1 95480726 BEXWLJHQHHUACB-DNQXCXABSA-N 428.488 3.605 0 40 IHAB COc1cccc(C(=O)COc2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@H]6C[C@H]56)[C@H]4C3=O)cc2)c1 100846002 SJLOWJZQCCYZGS-FWDUKEBRSA-N 429.472 3.514 0 40 IHAB Cc1nc(-n2cccc2)sc1C(=O)N1[C@@H]2CC[C@@H]1CC(S(=O)(=O)c1ccccc1)C2 101323018 RUQCZUVRZZGMRE-IAGOWNOFSA-N 441.578 3.852 0 40 IHAB CNC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(OC)c(OC)c1)CC2 104679807 RDPHJCCDHKJAEM-VBKFSLOCSA-N 432.476 3.642 0 40 IHAB COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)N[C@H](C)c1cc(C)ccc1C)=C2C 219191355 PQQWHUHXDMFUPR-MRXNPFEDSA-N 444.553 3.709 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)NCCN(C)c3ccccc3)c2)cc1 222549246 RRLHOIOYAQYIKY-UHFFFAOYSA-N 437.565 3.686 0 40 IHAB COc1cccc(N(CCCC(=O)NCCCc2ccccc2Cl)S(C)(=O)=O)c1 222594273 AEGIPXMEOURJKL-UHFFFAOYSA-N 438.977 3.644 0 40 IHAB CC(C)Oc1cccc(N(CC(=O)NCc2cccc3ccccc23)S(C)(=O)=O)c1 222881873 AIWVMCUZBYPELJ-UHFFFAOYSA-N 426.538 3.709 0 40 IHAB CSc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1 223006283 BSCSMIMHPYDCHN-INIZCTEOSA-N 432.611 3.785 0 40 IHAB CC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)cc1 223067567 KXOSJVYDNIUEAJ-UHFFFAOYSA-N 435.505 3.649 0 40 IHAB CSc1ccc(S(=O)(=O)NCCOc2cc(C)ccc2C)cc1C(=O)N1CCCC1 224020245 YQONRSNFNKANOM-UHFFFAOYSA-N 448.610 3.619 0 40 IHAB Cc1cc(C)cc(N(CCCC(=O)NCCOc2cc(C)ccc2C)S(C)(=O)=O)c1 224037594 PXWZRIOQKDLNTO-UHFFFAOYSA-N 432.586 3.662 0 40 IHAB CCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CCCOc1ccc(OC)cc1 224542347 OEXYYGGGVCZQOT-QHCPKHFHSA-N 442.556 3.806 0 40 IHAB CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN1C(=O)c2cccc3cccc1c23 224613972 GBJNRAFHKVAIOM-QFIPXVFZSA-N 443.547 3.786 0 40 IHAB CNc1cc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)Cc2ccccn2)nc(C2CC2)n1 257291248 QGGCAECCUZDYAZ-OAQYLSRUSA-N 426.524 3.915 0 40 IHAB NC(=O)C[C@]1(COc2ccccc2)CCCN(C(=O)c2ccccc2Br)C1 257303510 SHNOUIDHTJGEAO-OAQYLSRUSA-N 431.330 3.626 0 40 IHAB O=C(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1cc(Cl)c2c(c1)OCCCO2 257321258 WAWIRWMAGQMKNP-UHFFFAOYSA-N 435.807 3.639 0 40 IHAB CCN(CC)CCCNC(=O)c1nc(-c2ccn(Cc3ccccn3)c2)n2ccccc12 306124179 BIHZDXZEJCVHRH-UHFFFAOYSA-N 430.556 3.708 0 40 IHAB COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)N(C)Cc3ccccc3)cc2)c1 408595263 UPZMEFUMPJOXIT-UHFFFAOYSA-N 440.521 3.533 0 40 IHAB Cc1cccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)[C@H]5CCCC[C@@H]5C4=O)cc3)CC2=O)c1 408658393 JFFXXJOEJVQESJ-WTNAPCKOSA-N 446.503 3.633 0 40 IHAB NC(=O)Nc1ccc(C[C](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1 1560403823 MRCFQMCAEFUHPK-UHFFFAOYSA-N 444.467 3.875 0 40 IHAB COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(C)o3)C2=O)ccc1Cl 1008666 FETFZAINHOSKLC-OVCLIPMQSA-N 434.857 3.703 0 40 IHAB C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(NC(=O)c2c(F)cccc2F)s1 1381594 RGFWAHKXNSZCQH-GHMZBOCLSA-N 426.514 3.950 0 40 IHAB CC[C@]1(C)Cc2c(sc3nc(SCC(=O)OC)n(-c4ccccc4)c(=O)c23)CO1 2216833 WSICIKJUZXWDCJ-OAQYLSRUSA-N 430.551 3.954 0 40 IHAB CCOc1ccc(-n2c(SCC(=O)NCCOC)nnc2-c2ccccc2Cl)cc1 3430404 SEPOMMQVBTYVDC-UHFFFAOYSA-N 446.960 3.841 0 40 IHAB Cc1cccc(C)c1NC(=O)C1(N(Cc2ccco2)C(=O)[C@H]2CCC(=O)N2)CCCCC1 3771326 FAPJVTURQFBWLU-HXUWFJFHSA-N 437.540 3.845 0 40 IHAB O=C(NC[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)NC(c1ccccc1)c1ccccc1 9065883 XYWOMBVFAQRVDI-SFHVURJKSA-N 443.503 3.857 0 40 IHAB CC(=O)CCC(=O)Nc1cccc(S(=O)(=O)Nc2cc(C)ccc2Br)c1 9130241 ALJFQRVTHHLLEO-UHFFFAOYSA-N 439.331 3.866 0 40 IHAB O=C(CSc1nc(-c2ccccc2Br)n[nH]1)c1ccc2c(c1)OCCO2 9414928 FCXKPZMXGOYOKT-UHFFFAOYSA-N 432.299 3.980 0 40 IHAB CCOc1ccc(NC(=O)CCc2cc(C(C)=O)c(C)o2)cc1S(=O)(=O)N1CCCC1 9586973 LHWZYBSRUXLGLQ-UHFFFAOYSA-N 448.541 3.545 0 40 IHAB Cc1cccc(CC(=O)Nc2cc(C)nn2-c2ncnc3c2cnn3-c2ccc(F)cc2)c1 9661234 FBBMHIPHELKUCD-UHFFFAOYSA-N 441.470 3.938 0 40 IHAB C[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 9665479 LBPIKMATQMXNBO-NSHDSACASA-N 428.794 3.659 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(N2CCCC2=O)cc1 9903844 RNHIRVJTNVEPJX-UHFFFAOYSA-N 435.505 3.867 0 40 IHAB COc1ccccc1-n1nnnc1SCC(=O)N1CC[C@H](C)Sc2ccccc21 9953730 VZKSRXXVDZLVKW-AWEZNQCLSA-N 427.555 3.681 0 40 IHAB Cc1ccccc1C(=O)N1CCC(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)CC1 10444569 BXPOHYWGWBQWQA-UHFFFAOYSA-N 433.552 3.725 0 40 IHAB Ic1ccc2ncnc(Nc3ccc(N4CCOCC4)cc3)c2c1 12082530 SOQJJEISZHCVMH-UHFFFAOYSA-N 432.265 3.815 0 40 IHAB Cc1cnc(-c2nc(C3CCN(S(=O)(=O)c4ccc(C(C)(C)C)cc4)CC3)no2)cn1 12187411 RHAKPTALOAXEDD-UHFFFAOYSA-N 441.557 3.701 0 40 IHAB CCCCNC(=O)NC(=O)CSc1nnc(-c2cc3c(s2)CC[C@H](CC)C3)n1C 12214396 VYGDTEVWHKMRRG-ZDUSSCGKSA-N 435.619 3.777 0 40 IHAB Cc1ccccc1-n1ncc2c(C)nn(CC(=O)Nc3cccc(C(F)(F)F)c3)c(=O)c21 12228543 UJJZSWHQOCXZDK-UHFFFAOYSA-N 441.413 3.857 0 40 IHAB COCc1ccc(C(=O)N[C@H]2CC(C)(C)Cc3nc(N4C[C@H](C)O[C@H](C)C4)ncc32)cc1 12240994 CGXCVTWKPARADT-FVJLSDCUSA-N 438.572 3.680 0 40 IHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N1CCC(c2nc3ccccc3cc2C(N)=O)CC1 12241514 MDFCXQYPYQPVAQ-HSZRJFAPSA-N 447.535 3.906 0 40 IHAB COc1ccc(COC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)cc1OC 12311267 MJAGEVZMGXZAES-IRXDYDNUSA-N 447.553 3.727 0 40 IHAB Cc1c(C(C)C)c(=O)n(-c2ccc(S(=O)(=O)N[C@@H]3CCCc4ccccc43)cc2)n1C 12372071 VTQSNYXYOAXVFZ-JOCHJYFZSA-N 439.581 3.964 0 40 IHAB COc1c(C[C@@H]2CC(CNCCc3ccc(Cl)cc3)=NO2)cc2c(c1OC)OCO2 12418037 FHDFOOLEZAEVSE-GOSISDBHSA-N 432.904 3.606 0 40 IHAB O=C(OCc1nc2ccccc2c(=O)n1Cc1ccco1)c1c[nH]nc1-c1ccccc1 12795596 IMUZAUHTUSXRPP-UHFFFAOYSA-N 426.432 3.785 0 40 IHAB CC(C)c1ccc(NC(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)OCCO3)C(C)C)cc1 12797412 YCHVUHIILLJTRL-NRFANRHFSA-N 432.542 3.523 0 40 IHAB CC(C)c1ccc(C(=O)COC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1 12888972 MZPNMBVLTCZZNO-UHFFFAOYSA-N 441.505 3.921 0 40 IHAB CSCC[C@@H](NC(=O)c1ccco1)C(=O)OCc1cc(=O)oc2cc(C)c(Cl)cc12 13038261 PEUUBPFVURCGFK-MRXNPFEDSA-N 449.912 3.943 0 40 IHAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 13096658 SMNZBKYWZPSQAL-ZDUSSCGKSA-N 447.315 3.842 0 40 IHAB Cc1nc2ccc(C(=O)Nc3ccc(S(=O)(=O)NCc4ccco4)cc3)cc2nc1C 13128885 URNAIZLOEJXJDK-UHFFFAOYSA-N 436.493 3.570 0 40 IHAB COc1ccc([C@H](c2nnnn2Cc2cccs2)N2CCN(c3ccccc3)CC2)cc1 13505315 UGCHJEHSTPHHNO-HSZRJFAPSA-N 446.580 3.703 0 40 IHAB COc1cc(OC)c([C@H]2CC(=O)N(c3cccc(Cl)c3)C3=C2C(=O)OC3)cc1OC 13518419 WFTPHNSOZDSGBG-OAHLLOKOSA-N 429.856 3.697 0 40 IHAB Cc1ccc(-n2nc(C)c3c2NC(=O)[C@@H](C)S[C@H]3c2ccc(OCC(N)=O)cc2)cc1 13995326 SFKAYYBHHWYTNG-VFNWGFHPSA-N 436.537 3.516 0 40 IHAB CS(=O)(=O)N(CC(=O)OCc1ccccc1Br)c1cccc(Cl)c1 14199806 OICDDQUVXWZFCC-UHFFFAOYSA-N 432.723 3.612 0 40 IHAB C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(Br)cc1 15621304 PDKPKVUVMGPLIA-AWEZNQCLSA-N 437.359 3.725 0 40 IHAB COc1ccc(C(=O)Nc2ccc(C)cc2Br)cc1S(=O)(=O)NC(C)C 15737825 OIMKXPRIOQTSLP-UHFFFAOYSA-N 441.347 3.705 0 40 IHAB CCn1c2ccccc2c2cc(NS(=O)(=O)c3c(C)nc4sccn4c3=O)ccc21 16162949 MCKIDECVBIUFER-UHFFFAOYSA-N 438.534 3.993 0 40 IHAB CCOc1c(Br)cc(CNCc2ccccc2CN2CCOCC2)cc1OC 17318134 ZSYGGWRGBHGVKT-UHFFFAOYSA-N 449.389 3.978 0 40 IHAB O=C(CSc1nc2ccccc2c(=O)n1Cc1cccnc1)N1CCCc2ccccc21 17743148 GCMHIQBPNCLHMU-UHFFFAOYSA-N 442.544 3.911 0 40 IHAB COc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@H]4C3=O)cc2)cc1 17986739 OZENKDBZZCUWAR-IPHXSNPTSA-N 435.476 3.661 0 40 IHAB COc1ccc(OC)c(-c2csc(NC(=O)CCn3c(=O)oc4ccccc43)n2)c1 18121152 BIQLAWWWFBDGEF-UHFFFAOYSA-N 425.466 3.764 0 40 IHAB CC(C)(C)c1cc(C(=O)N2CCO[C@@H](c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)[nH]n1 19083659 JDHZIVPKLVIFFP-OAHLLOKOSA-N 449.433 3.990 0 40 IHAB COc1ccc(C)cc1CC(=O)N1CCC(c2cc(N(C)C)nc(-c3cccnc3)n2)CC1 19132977 NERFGBVLCYARKP-UHFFFAOYSA-N 445.567 3.870 0 40 IHAB Cc1nc(C[C@H](NC(=O)Cc2ccc3c(c2)CCCO3)c2ccc(Cl)cc2)cc(=O)[nH]1 19285301 LPCIFODMNWGPOA-NRFANRHFSA-N 437.927 3.699 0 40 IHAB CNc1cc(C2CCN(C(=O)CCc3ccc(OC)cc3)CC2)nc(-c2cccnc2)n1 19592218 KXBVZKLUCNHWFC-UHFFFAOYSA-N 431.540 3.928 0 40 IHAB CC(=O)N[C@@H](CC(=O)N1CCC(c2ccc(-c3cc[nH]n3)cn2)CC1)c1ccc(F)cc1 19689219 LWZCZRLRPDEZIX-QHCPKHFHSA-N 435.503 3.584 0 40 IHAB COc1ccc2oc(C(=O)NCCc3nc(C)ncc3C(=O)Nc3ccccc3F)cc2c1 19697464 PSRXGJKEVCTXIL-UHFFFAOYSA-N 448.454 3.904 0 40 IHAB Cc1ccc(CSCCNC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)cc1 20045745 SVHZEFMDGGYURO-UHFFFAOYSA-N 446.638 3.974 0 40 IHAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OC 20110735 SOCOYDDIAOAPSD-OAQYLSRUSA-N 446.569 3.893 0 40 IHAB CCNC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1 22278138 ASEYGHAWQSPCIP-UHFFFAOYSA-N 434.867 3.999 0 40 IHAB Cc1nn(CC(C)C)c2sc(C(=O)N[C@@H](CN3CCOCC3)c3ccccc3)cc12 22357359 KTJZUDKVPIDMJD-FQEVSTJZSA-N 426.586 3.866 0 40 IHAB O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)[C@H]1CC(=O)N(CCc2ccccc2)C1 22924561 LVORSRWZLQKISD-KRWDZBQOSA-N 435.505 3.569 0 40 IHAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N[C@@H](C)c2cccc3ccccc23)C1 23434042 MPKAVTDFKIZZPP-KXBFYZLASA-N 441.553 3.723 0 40 IHAB O=C(N/C(=C\c1cccs1)C(=O)N1CCN(Cc2ccccc2)CC1)c1ccccc1 27397387 NPBJDHZPKJFHMT-NKFKGCMQSA-N 431.561 3.863 0 40 IHAB COc1ccccc1N1CCN(C(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)CC1 28220876 ACAWBIGBTJBGQL-HXUWFJFHSA-N 427.976 3.909 0 40 IHAB COc1ccc(C(=O)N2CCN(C(=O)c3ccccc3C(=O)c3ccccc3)CC2)cc1 29119331 ARAOPKMYXDWFOB-UHFFFAOYSA-N 428.488 3.524 0 40 IHAB c1ccc(-c2nc(N3CCN(c4nnnn4-c4ccccc4)CC3)nc3ccccc23)cc1 30520564 ILVRHVCIKHAVHW-UHFFFAOYSA-N 434.507 3.599 0 40 IHAB Cc1cccc(C(=O)N2N=C(c3cccc(Br)c3)C[C@@]2(O)C(F)(F)F)c1O 32101419 WQEBLINYUGVAAG-QGZVFWFLSA-N 443.219 3.964 0 40 IHAB O=C(/C=C/c1ccc(SC(F)(F)F)cc1)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 32903383 LKOINNLJTUQJLN-RTWZZBQXSA-N 449.516 3.506 0 40 IHAB O=C(CCc1ncc(-c2ccccc2)o1)N1CCN(Cc2nc(-c3ccsc3)no2)CC1 32908604 HLQUDIJNENAFJD-UHFFFAOYSA-N 449.536 3.730 0 40 IHAB COCCOCC(=O)Nc1cccc(NC(=O)c2sc(NC(=O)C3CC3)cc2C)c1C 32915957 IBMLOKRJNIVTJI-UHFFFAOYSA-N 445.541 3.567 0 40 IHAB O=C(COc1ccccc1)Nc1ccccc1OCc1cc(=O)n2cc(Cl)ccc2n1 33068224 CQVCBIQMRLOAIW-UHFFFAOYSA-N 435.867 3.944 0 40 IHAB CCc1ccc([C@@H](CNC(=O)c2ccccc2SCC(=O)N2CCCC2)N(C)C)cc1 36062961 IFFRYGLNLARGOL-JOCHJYFZSA-N 439.625 3.996 0 40 IHAB C[C@H](SCC(=O)N1CCC(c2ccccc2)=N1)c1nc(N)nc(Nc2ccccc2)n1 36393385 YPRWIOHOYNXOIE-HNNXBMFYSA-N 433.541 3.628 0 40 IHAB C[C@H](OC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)C(=O)N1[C@@H](C)CCC[C@H]1C 36403471 FZYMTOXTKACNBW-ZMMAXQRCSA-N 434.964 3.913 0 40 IHAB CCN(CC(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1 39985184 DRGFAIUXNPJXBA-UHFFFAOYSA-N 431.739 3.752 0 40 IHAB O=C(c1ccc(-c2ccccc2)cc1)[C@@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2C=CC=NN12 43191147 KQSZOQSYWIEUIS-NGSHPTGOSA-N 447.494 3.951 0 40 IHAB CCCCN(C)c1ncc(Cl)c(C(=O)NCCNc2ccc(C(F)(F)F)cn2)n1 48287518 IWFIUKBTZUHLPI-UHFFFAOYSA-N 430.862 3.622 0 40 IHAB COC(=O)c1cc(Cl)c(NC(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)cc1OC 48312661 YXKPXUUINMRVSQ-SFHVURJKSA-N 445.903 3.620 0 40 IHAB Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)N[C@@H]3CCc4ccccc43)c2=O)c(C)c1 57493202 NOTAZPGYGMXWEF-LJQANCHMSA-N 445.544 3.634 0 40 IHAB CCN1CCN(Cc2ccccc2CNC(=O)c2csc(-c3ccc(O)cc3)n2)CC1 58305187 GHFCITFBLHGVEX-UHFFFAOYSA-N 436.581 3.583 0 40 IHAB O=C1NC2(CCCCC2)C(=O)N1CCc1nc2scc(-c3ccc(F)cc3)c2c(=O)[nH]1 58572004 MHBXHPWGTLGPGV-UHFFFAOYSA-N 440.500 3.588 0 40 IHAB COC(=O)c1cccc(NC(=O)CSc2nnc(COc3cccc(C)c3C)o2)c1 59176214 UKAXNJCVMAVOMF-UHFFFAOYSA-N 427.482 3.783 0 40 IHAB O=C(Nc1ccc(Cn2ccccc2=O)cc1)c1ccc(I)cc1 59257529 OSWPKSJCTCWFFG-UHFFFAOYSA-N 430.245 3.754 0 40 IHAB Cc1ccc(C)c(N2CCN(C[C@H]3C(=O)O[C@@H]4CC5=CCC[C@@H](C)[C@@]5(C)[C@H](O)[C@H]34)CC2)c1 61997574 LSGWJALQGUMIRM-SIWUVWLXSA-N 438.612 3.710 0 40 IHAB C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](CC(=O)[C@H]5C[C@@H](O)CC[C@]54C)[C@@H]3CC[C@H]1[C@]2(C)O 68590647 IQDIERHFZVCNRZ-KIONOUBGSA-N 429.645 3.886 0 40 IHAB CCNC(=O)C1(Cc2ccccc2-c2cccc(F)c2)CCN(C(=O)c2cnccn2)CC1 72345114 RGDLEALFKVNLHP-UHFFFAOYSA-N 446.526 3.884 0 40 IHAB O=C(CN1CCN(Cc2csc(-c3ccc(Cl)cc3)n2)CC1)N1CCCCCC1 84421661 RIIKIURCHXFKDQ-UHFFFAOYSA-N 433.021 3.984 0 40 IHAB O=C(CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)NCc1cccnc1 85878567 BNJYWWUOVNSIKV-UHFFFAOYSA-N 449.514 3.676 0 40 IHAB biogenic COc1ccc(SCC2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)cc1 90608295 ZEDDIUZIWIWVQD-UHFFFAOYSA-N 437.583 3.905 0 40 IHAB COc1cccc(-c2nc(CN3CCN(CC(=O)Nc4ccc(C)cc4)CC3)cs2)c1 95381659 QEVGWBDDEQOJCZ-UHFFFAOYSA-N 436.581 3.883 0 40 IHAB CC(C)C(=O)N1CCc2c(nc3cc([C@@H]4CCCN4CC4CCCCC4)nn3c2O)C1 100234323 BLEMKJPUEAWTLH-NRFANRHFSA-N 425.577 3.693 0 40 IHAB COc1cccc(Nc2cnn(C34C[C@H]5CC(C[C@@H](C5)C3)[C@@H]4C(=O)O)c(=O)c2Cl)c1 101092916 GRHNBALWWGAKJN-POPORTRHSA-N 429.904 3.885 0 40 IHAB Cc1ccc(N2C(=O)[C@H]3N=NN(Cc4nc(-c5ccccc5C)no4)[C@@H]3C2=O)cc1Cl 101262198 OYJYMSCVYWPSLS-ROUUACIJSA-N 436.859 3.500 0 40 IHAB O=C(COC(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)Nc1cccnc1Cl 101585478 CHDPNWWRKDOJPM-SKLAPFLYSA-N 427.726 3.951 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)cc2F)c2ccccc2)cc1 113933439 WLGGJXPHFXKHLV-UHFFFAOYSA-N 432.448 3.807 0 40 IHAB O=C(c1ccccc1)[C@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]2[C@H]2CCCN21 138738700 FLDJJCYEBBLJOE-FCGDIQPGSA-N 428.410 3.541 0 40 IHAB COc1ccc(N(CC(=O)NC2CCCCCC2)S(=O)(=O)c2ccccc2)c(OC)c1 198103661 KTJIYKZCDDCMAW-UHFFFAOYSA-N 446.569 3.738 0 40 IHAB CC[C@H](C(=O)Nc1nnc(SCC(C)C)s1)N(c1ccccc1F)S(C)(=O)=O 223286797 FJODDIBCZHYHQL-CYBMUJFWSA-N 446.595 3.609 0 40 IHAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc(OC2CCCC2)cc1 223511949 MWCNWSHPHLEALQ-INIZCTEOSA-N 432.542 3.810 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)NCC2CCCCC2)c2ccccc2OC)cc1 223823530 NSZCKBBWBTWLLE-UHFFFAOYSA-N 446.569 3.596 0 40 IHAB CCOC(=O)CN(c1cc(C(=O)OC)ccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 224717843 ZZYQDTBPJQZBRQ-UHFFFAOYSA-N 446.308 3.538 0 40 IHAB CC(C)Sc1nnc(NC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)s1 225138026 GLSCWAXHBAPFQF-UHFFFAOYSA-N 449.023 3.877 0 40 IHAB CCOC(=O)CN(c1ccc(Br)c(Cl)c1)S(=O)(=O)c1cccs1 225138084 HBWWDPADZNSZPQ-UHFFFAOYSA-N 438.752 3.922 0 40 IHAB COc1ccc([C@@H](CC(C)C)NC(=O)CN(Cc2ccc(C)cc2)S(C)(=O)=O)cc1 225804387 SPFAUFLKJTWSQE-JOCHJYFZSA-N 432.586 3.669 0 40 IHAB C[C@]1(C(=O)Nc2ccc(OC(F)(F)F)cc2)CCCN(c2ccccc2)S1(=O)=O 225951186 YNSIOLXRVIDVEM-GOSISDBHSA-N 428.432 3.913 0 40 IHAB CCN1CCN(c2ccc(N)cc2C(=O)Nc2c(F)cc(F)cc2Br)CC1 226324696 IVRPLAQXPJGFSP-UHFFFAOYSA-N 439.304 3.704 0 40 IHAB Cc1ccc(NCC(=O)N2CCC[C@@](COc3ccc(Cl)c(C)c3)(CC(N)=O)C2)cc1 257219517 DHBJGGVLCNETBM-XMMPIXPASA-N 443.975 3.932 0 40 IHAB COCC(=O)N1CCC(C)(C(=O)N2CCC(c3cccc(Cc4ccccc4)n3)CC2)CC1 257236480 HCJQXDSULFKTBQ-UHFFFAOYSA-N 449.595 3.654 0 40 IHAB Cc1cccc(Nc2cccc([C@@H]3CN(C(=O)CN(C)Cc4ccccc4F)CCO3)n2)n1 257246413 IUAFYOKUBPZDJD-QFIPXVFZSA-N 449.530 3.700 0 40 IHAB CCCCNC(=O)COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 408553824 QRJTVCYMJCOZMM-UHFFFAOYSA-N 430.448 3.801 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(CC)cc3)C2)cc1C 408558766 SYKFBJPEPSKHKJ-IBGZPJMESA-N 430.570 3.996 0 40 IHAB COc1cc(OC)cc(-c2nc(S/C(=C\c3cccc(OC)c3OC)C(=O)O)n[nH]2)c1 408634224 SHTVQPAQGLMEOC-YVLHZVERSA-N 443.481 3.724 0 40 IHAB Cc1ccc([C@@H]2[C@H](NC(=O)c3ccc(Cl)cc3)C(=O)N/[N+]2=C\c2ccc(F)cc2)cc1 409060245 ZZHPLGYBJQNRIN-NGTVUAHZSA-O 436.894 3.804 0 40 IHAB CCCNC(=O)CN1C(=O)S/C(=C\c2cc(Cl)cc(Br)c2OC)C1=O 409200815 JTZPWZXLPAQBME-SDQBBNPISA-N 447.738 3.674 0 40 IHAB O=C(c1ccc(C(F)(F)F)cc1N1CCCC1)N1CCC2(CC1)CCS(=O)(=O)CC2 557754307 VSMVALGBZLMGNP-UHFFFAOYSA-N 444.519 3.737 0 40 IHAB O=C(NCCc1c[nH]c2ccccc12)c1nnn(Cc2ccccc2F)c1-c1ccncc1 675007574 DIKYEGLVCWRWCB-UHFFFAOYSA-N 440.482 3.981 0 40 IHAB O=C(N[C@H]1CCC[C@@H]1NC(=O)c1cccc(OC(F)F)c1)c1cccc(OC(F)F)c1 683370557 WJCZMXXZHVOVNH-IRXDYDNUSA-N 440.393 3.970 0 40 IHAB Cc1nc(CC(=O)N2CCC[C@@H]3NC(=O)c4ccccc4OCCC=CC[C@@H]32)cs1 2037818701 PCGSYBBJFACMCM-PMACEKPBSA-N 425.554 3.512 0 40 IHAB O=C(NCc1ccco1)c1cnn2c1N[C@@H](c1ccc3c(c1)OCO3)C[C@@H]2C(F)(F)F 866768 KIYSQZRIOAZPBL-RHSMWYFYSA-N 434.374 3.795 0 40 IHAB Cn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(Br)cc1 894348 ZHWLUGANWOVXBE-UHFFFAOYSA-N 433.331 3.887 0 40 IHAB Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CCN1C(=O)c2ccc(C(=O)O)cc2C1=O 1421327 NURVCEGCALPSSP-UHFFFAOYSA-N 432.354 3.912 0 40 IHAB CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)c1cc(OC)c(OC)c(OC)c1 2114802 VPZXPDKHYMWCMQ-UHFFFAOYSA-N 428.441 3.631 0 40 IHAB biogenic Cc1ccc(S(=O)(=O)c2c(N)n(C[C@H]3CCCO3)c3nc4ccccc4nc23)cc1C 2431986 OOXQHJKOKSAWQG-MRXNPFEDSA-N 436.537 3.795 0 40 IHAB COc1ccc(-n2c(SCC(N)=O)nnc2-c2cc(Cl)ccc2OC)cc1Cl 3327478 VASBWHIGDUIKFN-UHFFFAOYSA-N 439.324 3.836 0 40 IHAB O=C(OCCOc1ccc(Cl)cc1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 3523742 OYCQWWCHWXNQQD-UHFFFAOYSA-N 442.876 3.953 0 40 IHAB Cc1ccc(-c2nnc(SCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)o2)cc1 8400035 OBKWVPOQESXRFU-UHFFFAOYSA-N 435.509 3.574 0 40 IHAB Cc1cc(I)ccc1S(=O)(=O)Oc1cccc2cccnc12 8425330 RFAQJOBJABOJNI-UHFFFAOYSA-N 425.247 3.916 0 40 IHAB CCn1c(C)c(C)c2cc(C(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)ccc21 8450499 DECGJTHORLUMFN-UHFFFAOYSA-N 441.553 3.551 0 40 IHAB CCCCn1c(CCC(=O)NC2CCCCCC2)nc2cc(S(=O)(=O)N(C)C)ccc21 8778541 PGSZSYQMKFUYMR-UHFFFAOYSA-N 448.633 3.858 0 40 IHAB CC(=O)Nc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3F)c(F)c2)c1 8810760 HDOJDKOKSGOOCT-UHFFFAOYSA-N 445.447 3.976 0 40 IHAB COC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 8861774 QJEAWVBEVRPRDM-HNNXBMFYSA-N 433.835 3.647 0 40 IHAB COc1cc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]c2=O)cc(OC)c1OC 9260586 VUDFGOXIOXBYLI-UHFFFAOYSA-N 431.448 3.868 0 40 IHAB COc1cc(-c2nnc(NC(=O)c3cccc(Br)c3)o2)cc(OC)c1OC 9274679 KNZMYXWMSKOSID-UHFFFAOYSA-N 434.246 3.777 0 40 IHAB O=S(=O)(Oc1ccc2c(c1)OCO2)c1cc(Br)ccc1Br 9440205 WNECFCXUCCAXMN-UHFFFAOYSA-N 436.077 3.708 0 40 IHAB CS(=O)(=O)c1ccc(-c2nnc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)o2)cc1 9707658 HAMWPKPXQXCDCC-UHFFFAOYSA-N 447.472 3.623 0 40 IHAB CCOc1ccc(S(=O)(=O)NCCCOC(C)C)cc1NC(=O)c1ccccc1F 10060040 NAEHSUUEEGITDR-UHFFFAOYSA-N 438.521 3.570 0 40 IHAB CCN(CC)CCN(C(=O)c1cccs1)c1nc2ccc(S(C)(=O)=O)cc2s1 10337367 ITHZDXIICUVITM-UHFFFAOYSA-N 437.612 3.750 0 40 IHAB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](C)N2c3cccc4cccc(c34)S2(=O)=O)c1 10445306 YYAHUULXYCZUKN-OAHLLOKOSA-N 438.505 3.861 0 40 IHAB O=C1CN(C(=O)COC(=O)c2ccccc2OCc2ccc(F)cc2)c2ccccc2N1 10587293 AMMFSFWCEIHCET-UHFFFAOYSA-N 434.423 3.547 0 40 IHAB C[C@@H](NC(=O)CNc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc2ccccc2c1 12597242 XSVCNQUXUKDJQO-GOSISDBHSA-N 437.565 3.914 0 40 IHAB C[C@@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)N(C)Cc1ccc(F)c(F)c1 12764471 XTVQVKAQEWMKAE-NSHDSACASA-N 427.373 3.789 0 40 IHAB O=C(NCCc1ccccn1)c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 12820769 AFNBXZOMCWRTRB-UHFFFAOYSA-N 449.454 3.874 0 40 IHAB C[C@@H]1CCc2c(sc3nc(SCCN4CCOC4=O)n(Cc4ccco4)c(=O)c23)C1 12873360 BMRZSCQOUYDVSK-CYBMUJFWSA-N 445.566 3.768 0 40 IHAB Cc1ccc(C(=O)O[C@@H](C(=O)N2CCOCC2)c2ccccc2)cc1NC(=O)c1ccco1 12897294 TXHWHXFUQILCRW-JOCHJYFZSA-N 448.475 3.597 0 40 IHAB COC(=O)c1ccccc1[S@@](=O)CC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 12951171 RSYGAVBQYPQNBW-MUUNZHRXSA-N 434.926 3.996 0 40 IHAB CS(=O)(=O)NCCc1ccc(C(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)cc1 13006273 GLGXZDLWXCODJD-UHFFFAOYSA-N 432.929 3.622 0 40 IHAB CCOC(=O)c1c(C2CC2)csc1NC(=O)CSc1nnc(-c2ccco2)n1C 13062687 ZSUQBWZGSIANFU-UHFFFAOYSA-N 432.527 3.922 0 40 IHAB Cc1ccccc1NC(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C 13096107 DTHCUZPKCMIBLI-UHFFFAOYSA-N 440.569 3.628 0 40 IHAB Cc1cc(C)n2nc(SCC(=O)N[C@H](c3ccc(F)cc3)c3cccs3)nc2n1 13128217 MNPWCJLGNADOBV-GOSISDBHSA-N 427.530 3.940 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)OCC(=O)N3CCCCCC3)cc2)c1 13159208 WLXKLHMCQZDJIV-UHFFFAOYSA-N 445.537 3.631 0 40 IHAB COc1ccccc1[C@@H](C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1 14301825 LOIZVPHHPSKAJQ-LJQANCHMSA-N 438.549 3.764 0 40 IHAB C[C@H]1CCCC[C@@H]1NC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1 15796753 BTDLIEWMPNFRMT-CVDCTZTESA-N 441.597 3.506 0 40 IHAB CNc1cc(C2CCN(C(=O)c3cnc(C(C)(C)C)nc3)CC2)nc(-c2cccnc2)n1 19084768 BQTPLPSENHDBSA-UHFFFAOYSA-N 431.544 3.688 0 40 IHAB Cc1cccc([C@@H](Cc2cc(N(C)C)nc(C3CC3)n2)NC(=O)c2cnc(C)nc2C)c1 19234464 BZFRFCUNSSRNDO-JOCHJYFZSA-N 430.556 3.849 0 40 IHAB O=C(Cc1ccccn1)N1CC[C@H]2[C@@H](C1)[C@H](c1ccc(F)cc1)CN2C(=O)c1ccccc1 19368969 NXQNQVNJDFATKB-SDHOMARFSA-N 443.522 3.920 0 40 IHAB COC(=O)[C@H](Nc1nc(-c2ccccn2)nc2c1CN(Cc1ccc(F)cc1)CC2)C(C)C 19445281 KRHBVPNDXITBQO-JOCHJYFZSA-N 449.530 3.846 0 40 IHAB Cc1nccn1CCC(=O)N1CCO[C@@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 19693262 SLKCKHMDQBNDJO-GOSISDBHSA-N 445.445 3.658 0 40 IHAB CCc1nccn1CC(=O)N1CCC[C@@H](c2nc(N(C)C)ncc2-c2ccc(F)cc2)C1 19694227 NSLHZQNUKFSVPQ-GOSISDBHSA-N 436.535 3.514 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N1CC[C@H](c2cc(COc3ccc(F)cc3)[nH]n2)C1 19704468 IDFAZQKPEYAVPL-INIZCTEOSA-N 445.516 3.623 0 40 IHAB COc1ccc(CCC(=O)N2CC[C@@H](c3ccc4c(NC5CCOCC5)n[nH]c4n3)C2)cc1 19704946 ZCSCNUMMJZWBSN-GOSISDBHSA-N 449.555 3.506 0 40 IHAB COc1ccc(-c2nc3nc4c(cn3n2)C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C4)cc1 19816527 DPKGWFDVBZAVFD-INIZCTEOSA-N 430.464 3.730 0 40 IHAB C[C@H](NC(=O)c1cnc2sc3c(n2c1=O)CCCC3)c1cccc(Br)c1 20030127 UNOKPBVLUGNPFZ-NSHDSACASA-N 432.343 3.888 0 40 IHAB Cc1ccc(-c2csc3ncc(C(=O)N4CCN(c5ccccc5F)CC4)c(=O)n23)cc1 20768194 WANLLZMRYPMKSY-UHFFFAOYSA-N 448.523 3.833 0 40 IHAB CCOC(=O)[C@@H]1CCCN(C(=O)CSc2nc(C(F)(F)F)nc3ccccc23)C1 22237920 UOLBTOQQIGCSJU-GFCCVEGCSA-N 427.448 3.542 0 40 IHAB CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)Nc1cccc(Cl)c1C 22252691 VJABLQKSNHAQSG-UHFFFAOYSA-N 426.922 3.704 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2)Cc2ccc(F)cc2)cc1 22352154 JMXMUPLEQJBPAT-UHFFFAOYSA-N 426.513 3.641 0 40 IHAB O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)c1cc(-c2ccncc2)nc2ccccc12 23080046 JKABNEGQIQLXDQ-JOCHJYFZSA-N 438.531 3.928 0 40 IHAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2CCN(Cc3ccsc3)CC2)cc1 23417515 SHJRSKSNYKCQAP-UHFFFAOYSA-N 444.560 3.714 0 40 IHAB CCOC(=O)c1c(NC(=O)[C@H](C)OC(=O)c2cc(N)ccc2F)sc2c1CC[C@H](C)C2 25054323 BUKJVRCGISGZLE-RYUDHWBXSA-N 448.516 3.955 0 40 IHAB O=C1c2ccccc2-c2nn(C[C@@H](O)COCc3ccc4c(c3)OCO4)c3cccc1c23 28917222 HVAORZJOPLDHSN-MRXNPFEDSA-N 428.444 3.554 0 40 IHAB CC[C@@H](NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCCC2)c1)c1ccc(OC)cc1 30854645 LAHAXEGJQKDWJR-OAQYLSRUSA-N 446.569 3.760 0 40 IHAB CSc1ccccc1NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1 30938155 QGWDCBLRFXWCPC-GOSISDBHSA-N 434.583 3.872 0 40 IHAB CSCC[C@H](NC(=O)c1ccco1)C(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 31127354 HHRUQQLPXYMTGL-WBVHZDCISA-N 427.526 3.679 0 40 IHAB COc1cc(CNC(=O)C2(c3ccc4c(c3)OCCO4)CCCC2)cc(OC)c1OC 32414313 RCCNMZSLWNBCJX-UHFFFAOYSA-N 427.497 3.612 0 40 IHAB CCOc1ccc([C@H]2CCCN2C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)cc1 32454204 BGCDKPBISZWHMQ-HSZRJFAPSA-N 442.581 3.822 0 40 IHAB Cc1cccc(C)c1NC(=O)CN1CCN(CN2C(=O)c3cccc4cccc2c34)CC1 32533274 MWPFLQAGYTZQBV-UHFFFAOYSA-N 428.536 3.631 0 40 IHAB CCOc1ccccc1-c1nc(Cn2nnc(C(=O)Nc3cccc(OC)c3)c2N)c(C)o1 33291761 WMMGWVFOHRCQNN-UHFFFAOYSA-N 448.483 3.532 0 40 IHAB Cc1cccc(NC(=O)CN2CCN(C(=O)c3c(-c4ccccc4)noc3C)CC2)c1C 36442629 ZDPAQBBGHYQPDY-UHFFFAOYSA-N 432.524 3.663 0 40 IHAB COc1ccc(C)cc1NC(=O)[C@@H](Sc1nnc(C(F)(F)F)n1N)c1ccccc1 36640288 UGUMCEASUBGHDT-HNNXBMFYSA-N 437.447 3.800 0 40 IHAB C[C@H]1Cc2cc(-c3cc(COC(=O)CCn4cnc5ccccc5c4=O)no3)ccc2O1 36662578 KYEDGANVLKTMBN-HNNXBMFYSA-N 431.448 3.508 0 40 IHAB O=C(CSc1nccn1-c1ccc(C(=O)NCc2ccccc2)cc1)NC1CCCC1 44166228 JAGJXUNIDQPBBM-UHFFFAOYSA-N 434.565 3.953 0 40 IHAB COc1ccc(CCN2C[C@H](C(=O)N[C@@H](C)c3cccc(Cl)c3)CC2=O)cc1OC 45702732 QJZVZHBAIRAQSB-MAUKXSAKSA-N 430.932 3.626 0 40 IHAB CC(C)c1noc(CCCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)n1 48248605 AMYGFRUSQUDKBH-UHFFFAOYSA-N 440.953 3.592 0 40 IHAB Cc1ccc([C@@H](NCC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)c2ccccc2)cc1 57383278 YXDDXHUACXORDP-AHWVRZQESA-N 448.588 3.894 0 40 IHAB Cc1ccc(Cl)cc1-n1ncc2c(=O)n(CC(=O)NCc3ccccc3Cl)cnc21 57428342 FFZUNZFKQAXOTJ-UHFFFAOYSA-N 442.306 3.514 0 40 IHAB CCN1CCN(c2ccc(NC(=O)N3CCN(Cc4cccs4)CC3)cc2C)CC1 57866384 DPPDHEZPPUCWRG-UHFFFAOYSA-N 427.618 3.548 0 40 IHAB C[C@@H](Cn1cncn1)c1nc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cs1 62581026 FROQVJMJEONOKW-INIZCTEOSA-N 431.587 3.770 0 40 IHAB COc1ccc(OC)c(-c2csc3ncc(C(=O)Nc4cccc(F)c4)c(=O)n23)c1 64788054 KTVFRSANETVSSJ-UHFFFAOYSA-N 425.441 3.832 0 40 IHAB CCOCCCn1c(SCC(=O)Nc2ccc(N(C)C)cc2)nc2ccccc2c1=O 67290806 JKMRSSXFSQEXQJ-UHFFFAOYSA-N 440.569 3.620 0 40 IHAB Cc1ccc2c(c1)nc(CCNC(=O)Nc1ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c1)n2C 72289114 AMVWQNXTMUOTJJ-CALCHBBNSA-N 439.535 3.999 0 40 IHAB O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)N1CCN(C(=O)c2cccc(O)c2)CC1 72308319 LWJSSJPFUHCFMP-HSZRJFAPSA-N 433.483 3.669 0 40 IHAB O=C(NCCn1nc2c(cc1=O)CCCCC2)C1(c2c(F)cccc2Cl)CCCC1 72343176 LMRMGXLNMHPFHL-UHFFFAOYSA-N 431.939 3.933 0 40 IHAB CC1=NN(CCC(=O)N2CCCC[C@H]2Cc2c(C(=O)N(C)C)sc3ccccc23)CC1 72370604 UHEARBDGSGJLAA-SFHVURJKSA-N 440.613 3.998 0 40 IHAB CC(=O)N1CCCC[C@@H]1c1nc2c(c(NCc3ccccc3OC(C)C)n1)CCN(C)C2 72376587 ASZZTSADLXVEDI-JOCHJYFZSA-N 437.588 3.937 0 40 IHAB COc1ccc(Br)c(C(=O)N2CC(c3nc(Cc4ccccc4)no3)C2)c1 77099555 SKFAPDPOHDOEMP-UHFFFAOYSA-N 428.286 3.671 0 40 IHAB O=S(=O)(NC1CCN(c2nc(C(F)(F)F)nc3ccsc23)CC1)c1ccccc1 95948995 UNOAEDSCNTXEGK-UHFFFAOYSA-N 442.488 3.657 0 40 IHAB O=C([C@H](c1ccccc1)N1CCSCC1)N1CCc2c(ncn2-c2ccc(F)cc2)C1 96004657 BHLRVRYKNWWCAX-QHCPKHFHSA-N 436.556 3.686 0 40 IHAB CCN1CC[C@@]2(CN(CC(C)C)CC23CCN(C(=O)c2cnc4ccccc4c2)CC3)C1=O 96262777 HQFNCQJQRVVUOZ-HHHXNRCGSA-N 448.611 3.667 0 40 IHAB CC(=O)Nc1sc2c(c1[C@H](c1cccc(Cl)c1)N1CCN(CCO)CC1)CCCC2 96300453 RPRYFZGVQUZOGP-QFIPXVFZSA-N 448.032 3.938 0 40 IHAB COc1ccc(S(=O)(=O)C2CN(C(=O)NC(c3ccccc3)c3ccccc3)C2)cc1 96378141 REGZTPSNAZICNJ-UHFFFAOYSA-N 436.533 3.652 0 40 IHAB Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)sc2cc(Cl)ccc21 100837245 QHAVDMJGMXDOPO-XDOYNYLZSA-N 449.985 3.809 0 40 IHAB COc1ccc(Cn2c(=O)[nH]c3ccccc3/c2=N\C(=O)Nc2c(F)cccc2F)cc1 101113900 BYKSSUNTFJKTPD-SGWCAAJKSA-N 436.418 3.798 0 40 IHAB CCOC(=O)c1cc(CC)sc1N1C(=O)C[C@H](Sc2ccccc2C(=O)OC)C1=O 101129954 JCQQDPGNECHNEP-INIZCTEOSA-N 447.534 3.698 0 40 IHAB COc1ccc(N2C(=O)[C@H]3ON(c4ccc(OC)cc4)[C@@H](c4ccccc4)[C@H]3C2=O)cc1 102693146 MRIXZMITUCEVGP-VJBWXMMDSA-N 430.460 3.755 0 40 IHAB CCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=Cc3ccc4cccnc4c3N1[C@H]2C(=O)C(C)(C)C 103458952 SZVXYWDZONQOJK-MDPIYQRISA-N 431.536 3.835 0 40 IHAB O=C(NCc1nc(-c2cccs2)no1)c1ccc(NS(=O)(=O)c2cccs2)cc1 218803306 ZZPFHNMLEKNMNL-UHFFFAOYSA-N 446.535 3.590 0 40 IHAB CSc1cccc(N(CC(=O)Nc2ccc(Br)cc2F)S(C)(=O)=O)c1 220067813 DCHVHWCVYALPMM-UHFFFAOYSA-N 447.351 3.715 0 40 IHAB CCOc1ccc(N([C@@H](CC)C(=O)Nc2ccc(OC)c(Cl)c2)S(C)(=O)=O)cc1 220669733 RFZXOBDIIKNKGD-SFHVURJKSA-N 440.949 3.931 0 40 IHAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1F 222493107 SSUZXAJOLWOGTK-LAUBAEHRSA-N 430.520 3.935 0 40 IHAB CC(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)c2ccc(C)cc2)cc1 223377009 KMUYENVUWXNWNZ-UHFFFAOYSA-N 449.532 3.957 0 40 IHAB Cc1ccc(C)c(N(CC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)S(=O)(=O)N(C)C)c1 223446462 MAQHFZLQSQZEHX-FQEVSTJZSA-N 431.602 3.719 0 40 IHAB CCOc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc(OC)c(Cl)c3)n2)cc1 223588283 GVYXBSMUGCUPTF-UHFFFAOYSA-N 437.905 3.618 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=S)NC1CCCCCCC1 225210900 IWSYCMGAIUWDAA-UHFFFAOYSA-N 425.620 3.879 0 40 IHAB CC(C)Sc1nnc(NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)s1 225569280 RHLHJTBWSRIPDU-UHFFFAOYSA-N 428.605 3.567 0 40 IHAB CC[C@@H](NS(=O)(=O)c1nnc(NC(=O)c2cccc(C)c2)s1)c1ccc(C)cc1 225763621 ZWODJIGLVXXJNS-QGZVFWFLSA-N 430.555 3.837 0 40 IHAB O=C1CC2(CCN(S(=O)(=O)c3cccs3)CC2)Oc2cc(C(F)(F)F)ccc21 225822629 LMXPLHXTXPQUBD-UHFFFAOYSA-N 431.457 3.956 0 40 IHAB COCCCNC(=S)Nc1nc(N2CCC(C)CC2)cc(N2Cc3ccccc3C2)n1 225901085 XWVFOHLOVYYRLN-UHFFFAOYSA-N 440.617 3.556 0 40 IHAB O=C(C1[C@@H]2CCCC[C@@H]12)N1CCCC[C@@H]1c1nc(O)c2c(n1)CN(Cc1ccncc1)CC2 247800770 FPKVWBIKHJLCJK-WOIUINJBSA-N 447.583 3.625 0 40 IHAB CC1(C)Oc2c(O)cccc2[C@@H]2O[C@@H]3CCN(C(=O)CCCc4cn[nH]c4)C[C@H]3C[C@H]21 257244298 IKSJHIZLELEJRK-ZLLBNUPZSA-N 425.529 3.604 0 40 IHAB CCc1nc(C)c(CN2CCN(CC)C(=O)[C@@H](Cc3ccccc3-c3cccnc3)C2)[nH]1 257285411 PGZBTSIOFBCNEK-QFIPXVFZSA-N 431.584 3.866 0 40 IHAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)COC[C@H]3CCCCO3)CC2)on1 257296456 RCXRJYFZSAYITG-VAMGGRTRSA-N 442.560 3.724 0 40 IHAB COC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 408557033 LPBOIJCCNPHLSH-LLVKDONJSA-N 445.324 3.573 0 40 IHAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)COc2ccccc2)cc1 408906544 GZZWBIMORZZFLZ-UHFFFAOYSA-N 426.494 3.822 0 40 IHAB Cc1ccc(N(CC(=O)NCc2cccnc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 409409730 QQDXBDSIPQNHPU-UHFFFAOYSA-N 429.929 3.555 0 40 IHAB Cc1cccc(-c2ccc3c(c2)C2(CCOCC2)CN3C(=O)CCN2CCN(C)CC2)c1 585105917 YXPGZBXSYQOJBD-UHFFFAOYSA-N 433.596 3.694 0 40 IHAB C[C@H]1Oc2c(cccc2C(=O)NC2(c3cccc(Br)c3)CCOCC2)NC1=O 591165193 VZJKACXNUZCZAZ-CYBMUJFWSA-N 445.313 3.604 0 40 IHAB O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)Nc1cccc2cccnc12 604419671 RKCOQEGUUXYPKX-DEOSSOPVSA-N 434.455 3.988 0 40 IHAB Cc1nc(CC(=O)N2CCC[C@@]3(CCCCCOc4ccccc4C(=O)NC3)C2)cs1 643559342 HEBRWGOAUXRJDR-XMMPIXPASA-N 441.597 3.986 0 40 IHAB NC(=O)[C@@H]1CCCN(c2ccc(C(=O)N3CCC(c4cc5ccccc5[nH]4)CC3)cc2)C1 1115910025 NLSHEVLQGUDYPS-OAQYLSRUSA-N 430.552 3.889 0 40 IHAB CN(Cc1ccccc1Oc1ccc(F)c(Cl)c1)C(=O)CCC(=O)N1CCC(O)CC1 1589652244 JXBLCMGCNBMHPE-UHFFFAOYSA-N 448.922 3.993 0 40 IHAB Cc1ccnc2nc(C(=O)Nc3cccc(C(=O)Nc4cccc(C(F)(F)F)c4)c3)nn12 2631440 BEMJHDQGFFVYOQ-UHFFFAOYSA-N 440.385 3.956 0 40 IHAB COc1cc(/C=C/C(=O)OCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)ccc1O 3293652 IFZZHMMONCJZBO-YCRREMRBSA-N 428.441 3.859 0 40 IHAB Cc1cc(=O)n(Cc2cccc(C(F)(F)F)c2)c(SCC(=O)Nc2nccs2)n1 8717033 LTHJKQJCALFLKU-UHFFFAOYSA-N 440.472 3.806 0 40 IHAB COCCN1C(=O)c2n[nH]c(-c3cc(Cl)c(C)cc3O)c2[C@@H]1c1ccc(O)c(OC)c1 8845400 XYJYNKAXPJDLSJ-NRFANRHFSA-N 443.887 3.650 0 40 IHAB COC(=O)[C@H](CC(C)C)NC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1 8878599 UTCMJHDRMNTMGI-REWPJTCUSA-N 440.540 3.949 0 40 IHAB biogenic Cc1ccc(C)c(NC(=O)COC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)c1 9055745 SPZUQWOHUKIDFE-UHFFFAOYSA-N 428.444 3.900 0 40 IHAB Cc1nc2cc(C(=O)OCCN3C(=O)c4ccccc4C3=O)ccc2n1-c1ccccc1 9120733 OQITXHCGPZWASI-UHFFFAOYSA-N 425.444 3.787 0 40 IHAB O=C(COC(=O)CSc1ccc2ccccc2c1Br)NC[C@@H]1CCCO1 9138304 HGLCSXZDCWAWCW-AWEZNQCLSA-N 438.343 3.533 0 40 IHAB C[C@H](c1ccccc1)N1C[C@H](C(=O)Nc2cc3c(cc2Br)OCCO3)CC1=O 9223410 FEVRTCBXMNDAFR-UKRRQHHQSA-N 445.313 3.769 0 40 IHAB C[C@H](OC(=O)CNC(=O)c1cccs1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 9283374 PRTDIBXBIAAKPG-VIFPVBQESA-N 434.823 3.721 0 40 IHAB CCOC(=O)C1=C(C)Oc2ncn3nc(-c4cccnc4)nc3c2[C@H]1c1ccc(OC)cc1 9348837 PJOOLBOSKMZPIX-IBGZPJMESA-N 443.463 3.556 0 40 IHAB Cc1nnc(NC(=O)CSc2nnc(NC(=O)c3ccc4ccccc4c3)s2)s1 9368199 WGJKRKGBZIWLQI-UHFFFAOYSA-N 442.551 3.834 0 40 IHAB COc1ccc(-c2nnc3ccc(SCC(=O)Nc4cccc(C)c4)nn23)cc1OC 9415354 MUJMIKCBDGWGRQ-UHFFFAOYSA-N 435.509 3.848 0 40 IHAB Cc1ccsc1CN(C(=O)COc1ccc(C(C)(C)C)cc1)[C@H]1CCS(=O)(=O)C1 9431288 GYCOBHFSYSEATH-SFHVURJKSA-N 435.611 3.949 0 40 IHAB CC[C@@H](C)[C@H](NC(=O)[C@@H]1CS[C@H]2c3ccccc3C(=O)N21)C(=O)NC1CCCCCC1 9449641 MMHWBXLBUASUDR-OKFIXCSWSA-N 443.613 3.626 0 40 IHAB COc1ccccc1NC(=O)c1ccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)cc1 9509579 ZDQVCVFUKNKHIB-UHFFFAOYSA-N 443.459 3.572 0 40 IHAB COc1ccc(CNC(=O)CSc2nnc(Cc3cccs3)n2C2CC2)cc1OC 9670011 GWICIHQZXDOWLX-UHFFFAOYSA-N 444.582 3.691 0 40 IHAB COc1ccc(Cl)cc1NC(=O)CSC1=NS(=O)(=O)c2cc(Cl)ccc2N1 9761979 DIKKAKNJPZYKJO-UHFFFAOYSA-N 446.337 3.844 0 40 IHAB Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccccc3Cl)c(=O)n2C)c1C 10104910 URCODIVAXOJKTF-UHFFFAOYSA-N 449.942 3.757 0 40 IHAB Cc1cc(NC(=O)[C@@H](C)SCC(=O)OCC(=O)Nc2c(C)cccc2C(C)C)no1 10570152 OAMCCRWYIYINOG-OAHLLOKOSA-N 433.530 3.657 0 40 IHAB O=C(CSc1nnnn1Cc1ccco1)N1CCc2sccc2[C@@H]1c1cccs1 11743791 MULCILMUOVTTIA-GOSISDBHSA-N 443.579 3.704 0 40 IHAB Cc1nc2cc(-c3nccn3C)nn2c(NC[C@@H](O)COc2ccc3ccccc3c2)c1C 12087632 VOCOCCHYGUWRFF-HXUWFJFHSA-N 442.523 3.752 0 40 IHAB COc1ccccc1CNC(=O)C1(C[C@@H]2CC(c3cccc(F)c3)=NO2)CCOCC1 12156989 LTFJPZUTKIPYQG-FQEVSTJZSA-N 426.488 3.831 0 40 IHAB CC(C)(C)NC(=O)[C@@H](c1cccs1)N(C(=O)C(=O)NC1CCCC1)c1ccccc1F 12640925 UNMPNOBWPAHVEG-LJQANCHMSA-N 445.560 3.935 0 40 IHAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CN1C(=O)N[C@](C)(c2ccc(C(C)C)cc2)C1=O 12682665 RUYXQGVIUYUPBB-XMMPIXPASA-N 439.512 3.582 0 40 IHAB C[C@H](OC(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccccc1F 12756798 WNPUAONVNCSGKS-HKDMESQWSA-N 442.531 3.903 0 40 IHAB Cc1c(Cl)c(CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCO4)C2=O)nc2ccccc12 12895380 FJSAPTBRWVDPEN-HSZRJFAPSA-N 437.883 3.935 0 40 IHAB COc1cccc([C@H](CNC(=O)C(=O)c2c(C)nn(-c3ccccc3)c2C)N2CCCC2)c1 13010399 MDFWVGYPTULKHC-QHCPKHFHSA-N 446.551 3.634 0 40 IHAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccccc1NC(=O)CSc1nnnn1C 13138186 RVLRAAOTKCFQBD-VKJFTORMSA-N 431.562 3.559 0 40 IHAB COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)Nc1ccccc1Oc1ccccc1 13581074 PKXILEGKIVHQJN-UHFFFAOYSA-N 444.484 3.886 0 40 IHAB COc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1S(=O)(=O)NCCc1ccccc1 13581754 NEZUSPYCOYRKLW-GOSISDBHSA-N 438.549 3.707 0 40 IHAB COc1ccc(OC)c(N(CC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c1 13668908 QMJWYRXKJMEQDY-MRXNPFEDSA-N 448.585 3.645 0 40 IHAB O=C(Nc1cccc(F)c1)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 13678626 PAJMNWGWHCPFHU-NRFANRHFSA-N 426.469 3.562 0 40 IHAB CC(=O)NCCc1ccc(C(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1 14138673 YNSPOJDXESSBRN-UHFFFAOYSA-N 431.517 3.687 0 40 IHAB C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CCCSc4ccccc43)c2)C[C@@H](C)O1 14240863 CZUZQERKCQBADL-IAGOWNOFSA-N 446.594 3.627 0 40 IHAB COc1ccc(C(=O)Nc2ccnn2C2CCCC2)cc1S(=O)(=O)N1CCCCCC1 14246684 BMYDNBCVGFEZDV-UHFFFAOYSA-N 446.573 3.824 0 40 IHAB COc1ccc(N2C(=O)[C@@H]3[C@H]4c5ccccc5C=CN4[C@H](C(=O)c4ccco4)[C@@H]3C2=O)cc1 15998925 RWNHVTYCERGCSB-AFXVXQJMSA-N 440.455 3.687 0 40 IHAB CC1(C)C(=O)[C@]2(C(=O)Nc3cccc(NC(=O)[C@]45CC[C@H](C4)C(C)(C)C5=O)n3)CC[C@H]1C2 16294403 GJPVJXBSUAHXIM-JSGODKSXSA-N 437.540 3.749 0 40 IHAB O=C(c1cnc(N2CCOCC2)s1)c1cc(-c2ccccc2)c(N2CCOCC2)s1 16492798 LBDBIMAOZHOWSN-UHFFFAOYSA-N 441.578 3.776 0 40 IHAB COc1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c(OC)c1 16635637 HMXFPQCJTAFKBP-UHFFFAOYSA-N 430.457 3.896 0 40 IHAB CCCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3c(C)cc(C)cc3C)ccc21 16837528 LLHXNSHFDUIDMI-UHFFFAOYSA-N 436.599 3.905 0 40 IHAB Cc1cc(N2CCOCC2)nc(Nc2ccc(NC(=O)c3c(F)cccc3F)cc2)n1 17013196 CDLRDVQOFVZULV-UHFFFAOYSA-N 425.439 3.896 0 40 IHAB COc1ccc(OCC(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)c(OC)c2)cc1 17097888 IMGBZJSIXUFYDI-UHFFFAOYSA-N 432.432 3.522 0 40 IHAB CNC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CCN(C(=O)Cc2ccc(C)cc2)C1 19209250 APDIYBALFMSMKS-MHZLTWQESA-N 427.548 3.807 0 40 IHAB COc1cccc(CC(=O)NCCn2cc(-c3ccc(Cl)cc3)c(-c3nccn3C)n2)c1 19291559 AWFVRXIBUJECJK-UHFFFAOYSA-N 449.942 3.972 0 40 IHAB COc1ccccc1CC(=O)N[C@@H](c1cc(O)n2nc(-c3ccccn3)cc2n1)C(C)C 19445446 LVEVBIWRBXYEMV-XMMPIXPASA-N 431.496 3.562 0 40 IHAB CCC[C@]1(C(=O)OCC)N[C@@H](c2ccccc2F)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 19502045 ILKNXVBYDHWGND-XHOYROJHSA-N 442.462 3.517 0 40 IHAB CCCN1CCN(C(=O)c2cn(C)cn2)C[C@H](Cc2ccc(-c3cccc(C)c3)cc2)C1=O 19502661 ZQUGXKOLKIJXTI-DEOSSOPVSA-N 444.579 3.949 0 40 IHAB CCCN1CCN(C(=O)c2ccnn2C)C[C@@H](Cc2ccc(-c3cccs3)cc2)C1=O 19502892 LAJJZDUUYKBCID-HXUWFJFHSA-N 436.581 3.702 0 40 IHAB Cc1c(CN2C[C@H](C(=O)NC(C)C)[C@@H](c3ccnc(N4CCCC4)n3)C2)oc2ccccc12 19566400 LLGJJXGUUPPALH-SFTDATJTSA-N 447.583 3.872 0 40 IHAB COc1ccc2c(c1)OC1(CCN(C[C@H](O)c3c(C)n(C)c4ccccc34)CC1)C[C@H]2O 19581807 VGIPPHQKHBQJPV-PKTZIBPZSA-N 436.552 3.879 0 40 IHAB Cn1c(=O)n(C)c2cc(CN3CC[C@]4(C)[C@H]3CCCCC(=O)N4Cc3ccccc3)ccc21 19713405 QKMZHVXQPXDJNU-SHQCIBLASA-N 446.595 3.813 0 40 IHAB CCN(CC)CC(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(CC1CCCCC1)C(=O)CC2 19741696 ZFNCIDQXHWAZJC-NRFANRHFSA-N 441.620 3.650 0 40 IHAB CCn1c(CN2CCO[C@@H](c3cc(C(=O)N(C)C)c4ccccc4n3)C2)nc2ccccc21 19759570 GMLGPBFWZYPASI-XMMPIXPASA-N 443.551 3.880 0 40 IHAB Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)Nc1ccc(F)c(F)c1 20021941 VWWKCFABTWGDIO-UHFFFAOYSA-N 446.475 3.769 0 40 IHAB O=S(=O)(c1ccccc1C(F)(F)F)N1CCN(CCSc2ccccc2F)CC1 22131005 ONMLQKLAWIZHQG-UHFFFAOYSA-N 448.507 3.943 0 40 IHAB CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)Nc1cc(Cl)ccc1C 22252699 SCECRDRBDCZBAR-UHFFFAOYSA-N 426.922 3.704 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc2nc(CSc3ncnc4ccccc34)[nH]c2c1 22822057 RFAJBBZKQJFTMM-UHFFFAOYSA-N 427.555 3.829 0 40 IHAB CC(=O)c1cccc(NC(=O)Cn2cccc(-c3nc(-c4ccc(C)cc4)no3)c2=O)c1 23125859 MUYDNYRTRSCNAE-UHFFFAOYSA-N 428.448 3.715 0 40 IHAB COC(=O)[C@H](c1ccccc1Cl)N1CCN(C(=O)CCNc2ccc(C)cc2)CC1 24969385 RJAPUUKGDBCFPK-QFIPXVFZSA-N 429.948 3.509 0 40 IHAB Cc1ccc(S(=O)(=O)N[C@H](CCSc2nnnn2C2CC2)c2ccccc2)cc1 30341907 BZYWCTVKGIFUOY-LJQANCHMSA-N 429.571 3.518 0 40 IHAB C[C@H](C(=O)N1CCCC1)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)Cc3ccccc3)[C@@H](C)[C@@H]2[C@H]1O 30883870 DXVVPAJFBNCBER-RAMVYFITSA-N 440.628 3.796 0 40 IHAB biogenic,in-vitro CSc1ccc(Cl)c(C(=O)Nc2nc3ccccc3n2CCN2CCOCC2)c1 32611710 XWSCNGBVTBKNOK-UHFFFAOYSA-N 430.961 3.996 0 40 IHAB O=C(Nc1ccccc1C(=O)OCC(=O)N1CCC(c2ccccc2)=N1)c1ccccc1 32945121 KDJUMERLFLIJTI-UHFFFAOYSA-N 427.460 3.732 0 40 IHAB COC(=O)c1ccc(NC(=O)c2cc(C)c3c(c2)-c2ccccc2S(=O)(=O)N3C)cc1 33272002 YGHJZNQFSFUNOO-UHFFFAOYSA-N 436.489 3.839 0 40 IHAB NC(=O)Cn1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)c2ccccc21 35395017 NVHCMQQFXVKGEP-IDUWFGFVSA-N 443.290 3.526 0 40 IHAB CCc1cccc(C)c1-n1nnnc1C1(N2CCN(C(=O)c3ccco3)CC2)CCCCC1 35622788 FMIXDNQETXVLNI-UHFFFAOYSA-N 448.571 3.744 0 40 IHAB CCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(O)cc4)[C@H]3C2=O)cc1 36007002 RIWJAXKQAMZFDW-ZLNRFVROSA-N 430.460 3.842 0 40 IHAB COCCn1c(-c2ccc(-c3ccccc3Cl)o2)nc2c1c(=O)[nH]c(=O)n2CC(C)C 37868120 HANKQPBSFXHOLH-UHFFFAOYSA-N 442.903 3.769 0 40 IHAB CCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COc1cccc2ccccc12 40059951 MPDBGQIQSYRYQZ-UHFFFAOYSA-N 427.526 3.539 0 40 IHAB O=C(NCc1ccco1)C1CCN(c2ncccc2-c2nc(-c3ccccc3)no2)CC1 49006497 OUNUUYIJAQQZEL-UHFFFAOYSA-N 429.480 3.924 0 40 IHAB CCCn1c(SCC(=O)Nc2ccc(C(=O)OCC)cc2)nc2ccsc2c1=O 57425128 AOAOFPITVQRXPJ-UHFFFAOYSA-N 431.539 3.776 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)Cn1c(-c2cccc(Cl)c2)nc(C)c(C)c1=O 57528073 BFPXFUHVZWPZIJ-UHFFFAOYSA-N 439.899 3.996 0 40 IHAB CCOc1c(Br)cc(C(=O)Nc2ccn(CCc3ccccn3)n2)cc1OC 58441497 CCXFNVUWXGKKTN-UHFFFAOYSA-N 445.317 3.943 0 40 IHAB COc1cc(/C=C/C(=O)N[C@H](C)C(=O)O)ccc1OCc1ccc(Br)cc1 62715748 ZZBZRTMDHKZOEO-BCRSCGJKSA-N 434.286 3.639 0 40 IHAB COc1ccccc1CCC(=O)N1CCC(c2nc(-c3ccc4c(c3)OCO4)no2)CC1 67205909 PBLMMMUZZYIWGT-UHFFFAOYSA-N 435.480 3.813 0 40 IHAB CCn1ccc2ccc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)cc21 72304167 YQNKVGRYNXFJOF-UHFFFAOYSA-N 447.944 3.588 0 40 IHAB O=C(Nc1ccc(NC(=O)N(CCO)CCOCC(F)(F)F)cc1Cl)c1ccco1 72309872 WWSXSSSLRZEZIP-UHFFFAOYSA-N 449.813 3.590 0 40 IHAB C[C@@]12CC[C@@H](C[C@@H]1C(=O)N1CC[C@]3(O)CCCC[C@@H]3C1)[C@]1(C2)NC(=O)c2ccccc2N1 72326517 YLADSPDXWVIEID-OYGIERKRSA-N 437.584 3.518 0 40 IHAB O=C(N[C@@H]1CCCN(c2ncccn2)C1)C1(c2ccc(Cl)cc2Cl)CCOCC1 84613416 QTYJCLZQZZGPSQ-MRXNPFEDSA-N 435.355 3.617 0 40 IHAB C[C@H]1CN(C(=O)Cc2ccc(NC(=O)c3ccc(Br)o3)cc2)CC(C)(C)O1 84705703 WYDANFBJOUJGBJ-ZDUSSCGKSA-N 435.318 3.863 0 40 IHAB Cc1ccc(NC(=O)[C@H](C)N2CCN(c3ccncc3Cl)CC2)c(Br)c1 89610905 NNPGNMHDRSVAHO-AWEZNQCLSA-N 437.769 3.955 0 40 IHAB CC[C@@H](NS(=O)(=O)CCC(=O)OCc1ccccc1)c1ccccc1OC(F)F 89947927 ZOCSILISYFBDAZ-QGZVFWFLSA-N 427.469 3.792 0 40 IHAB O=C(NCc1ccccc1)[C@@H]1C[C@]2(CO1)CN(C(=O)c1ccc(F)cc1)c1ccccc12 96262490 DFSSZCYYUHCPPK-JYFHCDHNSA-N 430.479 3.829 0 40 IHAB COc1cccc(NC(=O)[C@H](NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)c2ccccc2)c1 104885447 YKDJXAVLKTUHBD-DNVFCKCGSA-N 425.573 3.852 0 40 IHAB CC[C@@H](C(=O)NCCSCc1ccccc1C)N(c1cccc(C)c1)S(C)(=O)=O 220505788 WCIKOXAIYCIMHT-NRFANRHFSA-N 434.627 3.898 0 40 IHAB COc1ccc(C(=O)NCc2cccc3ccccc23)cc1S(=O)(=O)N1CCCCC1 222915738 WNURNYIVZAFWOP-UHFFFAOYSA-N 438.549 3.953 0 40 IHAB Cc1ccc(C(=O)NCCOc2ccc(F)cc2)cc1S(=O)(=O)N1CCCCCC1 224025588 ZHEKXIYYZYISJV-UHFFFAOYSA-N 434.533 3.508 0 40 IHAB COc1cc(CN2CCN(C(=S)Nc3ccc(C)cc3C)CC2)cc(OC)c1OC 225222873 LVDXUJVUSYWARD-UHFFFAOYSA-N 429.586 3.844 0 40 IHAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)COc1ccc(OC)cc1 225572121 SMNRMGXJYFFVBR-RUZDIDTESA-N 446.547 3.769 0 40 IHAB COC(=O)c1cccc(S(=O)(=O)NCCSCc2ccc(Cl)cc2Cl)c1 225585612 DWNOKHUMSSVBLH-UHFFFAOYSA-N 434.366 3.992 0 40 IHAB CCc1ccc(CC)c(CNC(=O)C2CCN(S(=O)(=O)Cc3ccc(C)cc3)CC2)c1 225734355 WEGPANJOOVDRHS-UHFFFAOYSA-N 442.625 3.978 0 40 IHAB CCCN(c1ccccc1C(=O)O)S(=O)(=O)c1ccc(I)cc1 226855060 FEYPMVODUJTKIT-UHFFFAOYSA-N 445.278 3.595 0 40 IHAB C[C@]12C[C@@H](Cc3ccccc3)N(C(=O)c3cccc(Cn4cccn4)c3)[C@H]1CCCC(=O)N2 257265095 LXHXWHZXNZDFEU-DXBVXKBHSA-N 442.563 3.816 0 40 IHAB COc1ccc(C)cc1N([C@H](C)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2)S(C)(=O)=O 260914843 BSIGLBBFHOOURX-QZTJIDSGSA-N 444.597 3.914 0 40 IHAB COc1cc(C)c([C@@H](C)NC(=O)[C@H](c2ccccc2)N(C)S(C)(=O)=O)cc1C(C)C 260947516 WFNXEOINUYSANG-VGSWGCGISA-N 432.586 3.937 0 40 IHAB CCOc1ccc(S(=O)(=O)NCc2ccccc2)cc1NC(=O)c1ccccc1F 408557888 OMLYLYCMWQYCPV-UHFFFAOYSA-N 428.485 3.955 0 40 IHAB O=C(NCc1ccc(F)cc1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 408614823 ILYXXKCBTJMVDI-QGZVFWFLSA-N 449.457 3.886 0 40 IHAB CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2c(F)cccc2F)c(Cl)c1 408636025 KRCYCNWOEDDQRS-UHFFFAOYSA-N 432.876 3.714 0 40 IHAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCCCC3)c(C)c2)cc1 408675345 WGDSRYSRLCJNRZ-UHFFFAOYSA-N 432.542 3.586 0 40 IHAB CC1(C)[C@H]2CC[C@]1(C)C(=O)N(c1ccc(S(=O)(=O)Nc3ccc(F)cc3)cc1)C2=O 408723128 ZLFDOQRPHZEYEC-PGRDOPGGSA-N 430.501 3.942 0 40 IHAB CS(=O)(=O)c1cc(S(=O)(=O)NCC2(Cc3ccccc3)CCCC2)ccc1Cl 1662519324 QDEXLEBJGDWTGC-UHFFFAOYSA-N 442.002 3.825 0 40 IHAB CO[C@@H]1CCN2C[C@@H]1CCCCN(Cc1ncccc1C)CCOc1ccccc1C2=O 2037978395 URMMHCFLGSFYOE-XUZZJYLKSA-N 437.584 3.932 0 40 IHAB Cc1cc(S(=O)(=O)N2CC3(C[C@@H](N4CCC(C)CC4)CS3)C2)c(C)cc1Cl 2056223478 NGTMLYMLTSFYQZ-QGZVFWFLSA-N 429.051 3.937 0 40 IHAB CCC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3ccc(O)cc3)n2CC)cc1 928783 OYWFIGLUFYMETQ-UHFFFAOYSA-N 425.514 3.750 0 40 IHAB O=C(c1ccco1)N1CCN(c2c3c(nc4cc(-c5cccc(F)c5)nn24)CCCC3)CC1 1341614 CFLFRWDNDMTOJV-UHFFFAOYSA-N 445.498 3.970 0 40 IHAB Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc12 3515640 XTDWCIINKHIYCA-UHFFFAOYSA-N 446.941 3.949 0 40 IHAB CCOc1cc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3S[C@@H](C)C(=O)N32)ccc1OC(C)=O 3636552 UXLXVMBCDQBBCY-DJJJIMSYSA-N 446.525 3.611 0 40 IHAB O=C(O)CSc1nnc(Cn2c(=O)sc3ccccc32)n1-c1cccc(Cl)c1 4057710 PWKPTVXKTWEFFO-UHFFFAOYSA-N 432.914 3.522 0 40 IHAB COc1ccc(CCNC2=C(Cl)C(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1OC 6143394 ISOVMLCILNKPCI-UHFFFAOYSA-N 435.307 3.509 0 40 IHAB CCc1cc2c3c(c(=O)oc2cc1OCC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1)CCCC3 8918488 DMIBOEQGDVBRAP-QYBDOPJKSA-N 439.552 3.767 0 40 IHAB biogenic CSc1nc(N2CCCCC2)c2cnn(CCNC(=O)c3c(F)cccc3Cl)c2n1 8945817 CDMDZRYTOWGTHF-UHFFFAOYSA-N 448.955 3.761 0 40 IHAB COc1ccc(C2=NO[C@@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)c2ccccc2)cc1OC 9129718 OKJZJSRGAFIJLG-PXDATVDWSA-N 428.444 3.785 0 40 IHAB CCCN1C(=O)C(C)(C)COc2ccc(NS(=O)(=O)c3cc(C)ccc3OC)cc21 9171935 KPMJWSCARRXHHT-UHFFFAOYSA-N 432.542 3.966 0 40 IHAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 9364845 XDEPUPIZKRVNDN-UHFFFAOYSA-N 442.494 3.796 0 40 IHAB COc1ccc(C(=O)NCc2n[nH]c(=S)n2-c2ccc(Br)cc2)cc1OC 9368564 IGYRDMGEZACCDA-UHFFFAOYSA-N 449.330 3.640 0 40 IHAB O=C(CCS(=O)(=O)c1ccccc1Cl)N1CCN(c2cccc(Cl)c2)CC1 9491516 KDRUMEDCQBGSMD-UHFFFAOYSA-N 427.353 3.506 0 40 IHAB CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1OCC(=O)Nc1c(C)cc(C)cc1C 9761768 NKPQZQCIDWIILF-UHFFFAOYSA-N 449.507 3.660 0 40 IHAB CCOc1ccccc1NC(=O)CSC1=NS(=O)(=O)c2cc(Cl)ccc2N1 9761984 ZYFHOORTWPIXDX-UHFFFAOYSA-N 425.919 3.581 0 40 IHAB O=C(CNc1cccc(C(F)(F)F)c1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 9799344 CKYMHJURTYHKQL-UHFFFAOYSA-N 427.448 3.541 0 40 IHAB O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)Nc1cccc(-c2nnnn2C2CC2)c1 9957435 OQIUXNLOLCSGTB-KRWDZBQOSA-N 440.916 3.770 0 40 IHAB COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)Nc1ccc(C(F)(F)F)cc1 9988457 BZMFBIFIWUTJAH-UHFFFAOYSA-N 429.826 3.876 0 40 IHAB COc1ccc(S(=O)(=O)CC(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cc1 10219294 UMLXXFQGYUUELI-UHFFFAOYSA-N 428.944 3.946 0 40 IHAB Cc1c(C)n2c3c(=O)n(Cc4ccc(Cl)cc4Cl)c(=O)n(C)c3nc2n1C(C)C 10271919 NHFNHDHCNUOIKG-UHFFFAOYSA-N 434.327 3.702 0 40 IHAB CC1=C(C(=O)Nc2cc(C)on2)[C@@H](c2ccc(F)c(Br)c2)N(C)C(=O)N1C 10353591 NSYICHGFKYJYNU-MRXNPFEDSA-N 437.269 3.836 0 40 IHAB Cc1ccccc1N1C(=O)c2ccc(C(=O)OCC(=O)c3ccc4c(c3)OCO4)cc2C1=O 11222121 IQAJIDINRRTMPK-UHFFFAOYSA-N 443.411 3.564 0 40 IHAB COc1cc(NC(=O)c2ccccc2I)ccc1N1CCCC1=O 11257625 JKJSMVCUZCACBW-UHFFFAOYSA-N 436.249 3.679 0 40 IHAB O=C(CCn1c(=S)[nH]c2ccccc2c1=O)Nc1ccc(NC(=O)c2ccco2)cc1 11363234 QCKOXBLLDGQKMM-UHFFFAOYSA-N 434.477 3.933 0 40 IHAB COc1cccc(-n2c(=O)c3ccccc3n3c(S[C@H](C)c4nc(C)no4)nnc23)c1 12522059 WUYWGARIJIVNIP-GFCCVEGCSA-N 434.481 3.587 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N(CC)c3ccccc3C)CC2)cc1 12747079 LJAMMJXGGOEVDH-UHFFFAOYSA-N 430.570 3.848 0 40 IHAB NS(=O)(=O)c1ccc(CCC(=O)NC[C@H]2CC3c4ccccc4C2c2ccccc23)cc1 12766093 YTTDEMUJUACMLQ-UEXBFKPASA-N 446.572 3.680 0 40 IHAB Cc1noc(C)c1S(=O)(=O)N(C)Cc1cc(F)cc2c1O[C@H](c1ccccc1)OC2 12876325 UWYISBOFYYLDCR-OAQYLSRUSA-N 432.473 3.859 0 40 IHAB CN1CCN(C(=O)CCc2nc(-c3ccc(Cl)cc3)no2)c2nc3ccccc3nc21 12901519 UZOPMFAQNBFFOQ-UHFFFAOYSA-N 434.887 3.749 0 40 IHAB COc1ccc(-c2csc(NC(=O)c3ccc4c(c3)C[C@@H](C)N4S(C)(=O)=O)n2)cc1 12986333 YRSOOLLCTQWHQO-CYBMUJFWSA-N 443.550 3.782 0 40 IHAB Cc1ccc(-n2ncc3c(=O)nc(SCC(=O)Nc4ccc(Cl)cc4)[nH]c32)cc1 13002440 GMAVLZIJYBUJRQ-UHFFFAOYSA-N 425.901 3.801 0 40 IHAB Cc1cc(C)c2cc(C(=O)N3CCC(NS(=O)(=O)c4cccs4)CC3)[nH]c2c1C 13012245 OXVCJFZRLZXLCW-UHFFFAOYSA-N 431.583 3.738 0 40 IHAB Cc1cc(C)n(-c2ccc(C(=O)Nc3cccc(S(=O)(=O)N4CCCCC4)c3)cc2)n1 13141039 MNURCIZMECKTGK-UHFFFAOYSA-N 438.553 3.916 0 40 IHAB O=C(Nc1nc2c(s1)CCCC2)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 13566775 ULEAOOLTNRQHJM-IBGZPJMESA-N 441.578 3.967 0 40 IHAB Cc1cc(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c(C)c1 13949634 OMKYSEXPQKTPME-UHFFFAOYSA-N 436.599 3.977 0 40 IHAB O=C(CSc1nnc(-c2ccccc2)c2ccccc12)N1CCN(c2ncccn2)CC1 14241966 XZCOEHVIMBEKTO-UHFFFAOYSA-N 442.548 3.528 0 40 IHAB CCCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21 17286987 PUUCRMGVJDAIQQ-UHFFFAOYSA-N 428.963 3.633 0 40 IHAB Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@H]2CCCN2C(=O)Cc2cccc(F)c2)n1 19290216 NOXREDJIBPUTIP-OAQYLSRUSA-N 434.519 3.523 0 40 IHAB CCN1CCN(C(=O)c2ccn(C)n2)C[C@@H](Cc2ccccc2-c2ccc(C)cc2)C1=O 19527616 UHFVVNBBNBSZRH-JOCHJYFZSA-N 430.552 3.559 0 40 IHAB CCNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)c2cccc(OC)c2)C1 19529022 UOAYZGFPOUUTMT-HHHXNRCGSA-N 443.547 3.968 0 40 IHAB Cc1noc2nc([C@H]3CCCN(C(=O)[C@@H]4CC(=O)N(C(C)C)C4)C3)cc(C(F)(F)F)c12 19563751 LKFGIYBIPFLGJT-UONOGXRCSA-N 438.450 3.513 0 40 IHAB COCC(=O)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2cc3c(cc2OC)CCCC3)C1 19592987 UBYJPRQFSOUNTN-RLWLMLJZSA-N 437.584 3.685 0 40 IHAB CN(C)c1ncc(-c2ccc(F)cc2)c([C@@H]2CCCCN2CC(=O)Nc2nccs2)n1 19694437 OKNDOLNQCXVYJT-SFHVURJKSA-N 440.548 3.971 0 40 IHAB COCC(=O)N1CCC[C@](O)(c2nc(C)c(CCOc3ccc(Cl)cc3)s2)CC1 19738694 OIHCBQJTYWMART-OAQYLSRUSA-N 438.977 3.573 0 40 IHAB COc1ccc(C(=O)Oc2c(CN3CCOCC3)cc(Cl)c3cccnc23)cc1OC 21486778 BOVHEGHIGIZTQK-UHFFFAOYSA-N 442.899 3.957 0 40 IHAB COc1ccc(CC(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc1OC 22605148 FUIQNRHAMVYGTN-UHFFFAOYSA-N 437.565 3.714 0 40 IHAB C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(F)c2)C1=O)c1ccc2ccccc2c1 23883499 MFJMITLALOOXQV-JBEBIEQOSA-N 437.446 3.762 0 40 IHAB COc1ccc(C)cc1CN1CCN(C(=O)c2ccc(NC(=O)c3ccco3)cc2)CC1 24292059 DBSJHBCXNOTVFY-UHFFFAOYSA-N 433.508 3.807 0 40 IHAB Cn1ncc2c(=O)n(CCC(=O)Nc3ccc(-c4cccc(C(F)(F)F)c4)cc3)cnc21 24757213 UTSZQEPKNWDIRY-UHFFFAOYSA-N 441.413 3.845 0 40 IHAB O=C(CCc1nc(-c2ccsc2)no1)OCc1cc(=O)n2c(n1)sc1ccccc12 24863879 CAHHAZNIZRAUCU-UHFFFAOYSA-N 438.490 3.697 0 40 IHAB Cc1cccc(-n2nnnc2SCC(=O)Nc2ccccc2OCC(F)(F)F)c1C 25044897 AOBUDLIZDUSOSX-UHFFFAOYSA-N 437.447 3.951 0 40 IHAB CC1=C[C@@H](CNC(=O)Nc2ccccc2)[C@H](C(C)C)C[C@H]1CC(=O)N1CCN(C)CC1 30880784 NNFOXYZFHFMVEE-FUDKSRODSA-N 426.605 3.827 0 40 IHAB biogenic,in-vitro COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1 31778218 BOVBSZIAOYBSFN-QHCPKHFHSA-N 439.943 3.812 0 40 IHAB COc1ccc2[nH]cc([C@H](C(=O)O)N3CCN(CCOc4ccc(Cl)cc4)CC3)c2c1 32101947 DOLDNWQHFPLZCS-JOCHJYFZSA-N 443.931 3.652 0 40 IHAB CCOC(=O)N1CCC(NC(=O)CSc2nccn2-c2ccc(C(C)C)cc2)CC1 32522844 CUDXWUZCONEGLI-UHFFFAOYSA-N 430.574 3.825 0 40 IHAB CCN(Cc1ccc(OC)c(F)c1)S(=O)(=O)c1cc(Br)ccc1OC 32551567 PZOBQUXRBGNLER-UHFFFAOYSA-N 432.311 3.816 0 40 IHAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 32753086 UVHWQBMOWTUTJG-YLJYHZDGSA-N 442.512 3.649 0 40 IHAB Cc1cccc(OCc2nnc(SCCN3CCOCC3)n2-c2ccc(F)cc2)c1 35311654 GQHHCXUINDTBTG-UHFFFAOYSA-N 428.533 3.718 0 40 IHAB COc1ccc(-c2cnn3c2N=C(O)C[C@@H]3C(=O)Nc2ccc(C(C)=O)cc2)cc1OC 35685345 NKQLZAVRQNFSSV-GOSISDBHSA-N 434.452 3.941 0 40 IHAB O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)Nc1nc(-c2ccccc2)ns1 40122711 SAQWGABJWUJJCM-UHFFFAOYSA-N 437.550 3.884 0 40 IHAB COc1ccc(CNC(=O)c2sc(-c3nnn(-c4cccc(OC)c4)c3C)nc2C)cc1 49002358 NHFRJWCWFLGHIF-UHFFFAOYSA-N 449.536 3.955 0 40 IHAB Cn1ccnc1Sc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 58324604 KMIQDJQYESXJTA-UHFFFAOYSA-N 428.539 3.647 0 40 IHAB O=C(Nc1cccc(Cl)c1)N1CCCN(C(=O)c2cncc(Br)c2)CC1 58432892 FDEDVTZSSSHYQF-UHFFFAOYSA-N 437.725 3.878 0 40 IHAB O=S(=O)(c1ccccc1)N1CCCCC[C@@H]1C1CCN(Cc2nc(C3CC3)no2)CC1 69925165 KGHOXIFIZZVYCW-OAQYLSRUSA-N 444.601 3.793 0 40 IHAB CN(C)c1c(Cl)cccc1NS(=O)(=O)c1ccc(Br)c(C(=O)O)c1 71798577 INBYJFJSWCBZOJ-UHFFFAOYSA-N 433.711 3.668 0 40 IHAB O=C(C1CCC1)N1CCC(c2cc3nc4c(c(O)n3n2)CN(C2CCCCC2)CC4)CC1 72330526 XUTROSZEKOVHCX-UHFFFAOYSA-N 437.588 3.632 0 40 IHAB COc1cc2c(cc1OC)[C@@H]1c3ccccc3N(CC(=O)N3CCCC[C@@H]3C)C(=O)N1CC2 72342050 AKWSFBXTLTWRBN-GKVSMKOHSA-N 449.551 3.992 0 40 IHAB CCCN(C(=O)c1cc(OC)c(C)c(OC)c1)C1CCN(c2cc(C)nc(C)n2)CC1 95397111 HICBODZHDBKXLF-UHFFFAOYSA-N 426.561 3.940 0 40 IHAB O=C1N[C@@H]2[C@H](CCCCC(=O)N(Cc3ccc(O)cc3)C3CCCCC3)SC[C@@H]2N1 95993494 IGMJHUYEPOBASW-ONTIZHBOSA-N 431.602 3.779 0 40 IHAB COc1ccc(-c2[nH]nc(C)c2CC(=O)N[C@@H](CC(C)C)c2nnc3ccccn23)cc1 96118385 YJEGORLDIPXYKP-FQEVSTJZSA-N 432.528 3.883 0 40 IHAB COc1ccc(NC(=O)c2ccccc2N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)c(OC)c1 100843472 DBNVSRVFBCRPDT-KXFNVKJASA-N 444.487 3.514 0 40 IHAB CCOC(=O)[C@H](C(=O)CSc1nnc(C2CC2)n1-c1ccccc1)c1nc(C)cs1 102814703 YMHBIBKCLVKNCL-QGZVFWFLSA-N 442.566 3.918 0 40 IHAB Cc1cc(C)c(N(CC(=O)NCc2cccc(C(F)(F)F)c2)S(C)(=O)=O)c(C)c1 222773828 LVCWXHCZTNSNEI-UHFFFAOYSA-N 428.476 3.713 0 40 IHAB CCN(CC(=O)Nc1ccc(C)cc1Br)S(=O)(=O)c1ccc(C)cc1 223062027 BOKFMHLQYPVLAF-UHFFFAOYSA-N 425.348 3.715 0 40 IHAB CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1C(C)(C)C 223457594 ISEGMWLTUGCNKQ-OAQYLSRUSA-N 426.557 3.925 0 40 IHAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1F 223671985 YVSPIRMWLNUVFE-HXUWFJFHSA-N 430.520 3.935 0 40 IHAB CC[C@@H](C(=O)NCCOc1ccccc1C(C)(C)C)N(c1ccccc1)S(C)(=O)=O 223706767 PCWXAGIZPRZVIM-FQEVSTJZSA-N 432.586 3.724 0 40 IHAB CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc2c(c1)OCCO2 223838816 PTECNNJJYYNQCA-KRWDZBQOSA-N 444.959 3.987 0 40 IHAB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1C 224878092 BFJHUBVDHPOZHM-QFIPXVFZSA-N 426.557 3.962 0 40 IHAB O=C(Nc1nnc(S(=O)(=O)Nc2ccccc2)s1)c1ccc(Cl)cc1Cl 225613440 UKZCJLLUGBMISD-UHFFFAOYSA-N 429.310 3.898 0 40 IHAB CC(C)C[C@H](C(=O)OCC(=O)Nc1cccc2ccccc12)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 245264371 CYXIWMMECLFHTN-KCZVDYSFSA-N 448.519 3.687 0 40 IHAB CCn1cc(C(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(=O)N3CCCCC3)C2)c(C)n1 257246786 IVVQQFPLUARIDH-REWPJTCUSA-N 438.572 3.524 0 40 IHAB CN1C(=O)C2(CCN(C(=O)C3(c4ccccc4)CCOCC3)CC2)C[C@H]1Cc1ccccc1 257271169 MXDDNFODBRTAOC-XMMPIXPASA-N 446.591 3.817 0 40 IHAB CNC(=O)c1sc2ccccc2c1[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2C)C1 257327817 XCVSDTMXBRWGNT-CQSZACIVSA-N 432.542 3.887 0 40 IHAB COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)cc(C)cc3C)C2)cc1OC 408561681 VBCSQJYUCMZIFV-SFHVURJKSA-N 446.569 3.668 0 40 IHAB COc1ccccc1NC(=O)COC(=O)CCC(=O)Nc1cccc(Cl)c1Cl 408661762 HOQVTSNABDIFFO-UHFFFAOYSA-N 425.268 3.903 0 40 IHAB CCOc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(C)c(Cl)c3)CC2=O)cc1 409137156 WNJHFVZNCPBJKB-OAHLLOKOSA-N 430.888 3.582 0 40 IHAB O=C(c1cccc(OC(F)(F)F)c1)N1CC[C@H](c2ccccc2F)S(=O)(=O)CC1 585394931 GKLYJZYXTJPDQH-QGZVFWFLSA-N 431.407 3.726 0 40 IHAB O=C(c1cccc(-n2cccn2)c1)N1CCC(Cn2nc(-c3ccccc3)ccc2=O)CC1 606440901 QUBOXBPQYNYLBX-UHFFFAOYSA-N 439.519 3.648 0 40 IHAB O=C(CCn1nc(O)c2ccccc2c1=O)N(CCc1ccccc1)Cc1ccccc1 1530307102 BOZKGSNRGZJVEH-UHFFFAOYSA-N 427.504 3.764 0 40 IHAB Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c1C 631049 WVZCBSSBRRDPJB-IAGOWNOFSA-N 430.570 3.970 0 40 IHAB CCOc1ccccc1Nc1nnc(SCC(=O)Nc2ccc(C(N)=O)cc2)s1 2655351 JYRUVTJJJHEQKO-UHFFFAOYSA-N 429.527 3.510 0 40 IHAB COC(=O)CSc1nc2sc3c(c2c(=O)n1-c1cccc(OC)c1)CCCCC3 3255686 RZZYGGRNVYIMAW-UHFFFAOYSA-N 430.551 3.990 0 40 IHAB COc1ccc(C(=O)Nc2sc3c(c2C(=O)OCC(=O)NC(C)(C)C)CCCC3)cc1 3280814 CMOZISUQIHOROT-UHFFFAOYSA-N 444.553 3.959 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)OCc3c(C)noc3C)cc2)cc1 3318906 OSFLXNIFMQQXCY-UHFFFAOYSA-N 444.509 3.547 0 40 IHAB CC(=O)Nc1sc2c(c1C(=O)O[C@@H](C)C(=O)Nc1ccc3c(c1)OCCO3)CCCC2 3358500 XHSTWBOHTUOYOM-LBPRGKRZSA-N 444.509 3.541 0 40 IHAB COc1cccc(-c2nnc(SCn3nnc4ccccc4c3=O)n2-c2ccccc2)c1 3427114 XTQHHDRBQRBKJD-UHFFFAOYSA-N 442.504 3.798 0 40 IHAB O=C1C[C@H](CNS(=O)(=O)c2ccccc2C(F)(F)F)CN1c1ccc(Cl)cc1 9036792 JWQSMPHIKLOFAC-GFCCVEGCSA-N 432.851 3.690 0 40 IHAB CCn1c(CC(=O)Nc2ccccc2)nnc1SCC(=O)c1cn(C)c2ccccc12 9095940 FPTDOTOIUPGPLB-UHFFFAOYSA-N 433.537 3.946 0 40 IHAB NC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 9189578 UGNLPASQFYOIGF-UHFFFAOYSA-N 429.505 3.764 0 40 IHAB COc1ccc(N2C[C@@H](C(=O)NCCc3c[nH]c4ccc(Cl)cc34)CC2=O)c(OC)c1 9197025 UNAVYSPAMXGYRC-HNNXBMFYSA-N 441.915 3.550 0 40 IHAB CCOc1ccc([C@H]2Nn3c(CC)nnc3S[C@H]2C(=O)Nc2ccc(F)cc2)cc1 9197447 PKSKICXSGIJVHW-RTBURBONSA-N 427.505 3.776 0 40 IHAB COc1cc(OC)cc(C(=O)Nc2ccccc2N2CCN(C(=O)c3ccccc3)CC2)c1 9471641 XACRENRNMONRRN-UHFFFAOYSA-N 445.519 3.919 0 40 IHAB O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)c1ccc(C2CCCCC2)cc1 9536149 ZBWQOQRUUMRGAA-UHFFFAOYSA-N 442.581 3.685 0 40 IHAB CCN1CCN(c2ccc(NC(=O)c3ccc(Cn4nnc5ccccc54)cc3)cc2)CC1 9548516 VOEOZXARZMTZBR-UHFFFAOYSA-N 440.551 3.874 0 40 IHAB O=C(Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2)c1ccc(OC(F)F)cc1 9793631 HCLDVSYQEAMNAJ-UHFFFAOYSA-N 436.480 3.953 0 40 IHAB COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(OC)c3)C(=O)N2Cc2ccco2)cc1 9849808 LGMTXFVNHIKDKD-OAQYLSRUSA-N 449.463 3.663 0 40 IHAB Cc1ccc(N(CCCC(=O)NCCSCc2ccccc2)S(C)(=O)=O)cc1C 10335883 XBKICGUPYMTGLC-UHFFFAOYSA-N 434.627 3.899 0 40 IHAB O=C(Nc1ccc(Cl)cc1F)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 10511541 SLKSYBPIHAKDPU-UHFFFAOYSA-N 442.804 3.791 0 40 IHAB COc1cc(OC)cc(C(=O)OCC(=O)Nc2ccccc2C(=O)Nc2ccccc2)c1 11137694 LDIANGMLFGHKLS-UHFFFAOYSA-N 434.448 3.752 0 40 IHAB Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1cc(C2CC2)nn1-c1nc(C(C)C)cc(=O)[nH]1 12126462 JZTSWIRVNVGKKI-UHFFFAOYSA-N 444.495 3.568 0 40 IHAB COc1cccc(-n2c(SCC(=O)Nc3cccc(F)c3)nc3c(c2=O)SCC3)c1 12140629 LFXMXDGQOZNZKP-UHFFFAOYSA-N 443.525 3.759 0 40 IHAB CCc1nc(O)c2nnn([C@@H]3CCCN(C(=O)C4(c5ccccc5)CCCCC4)C3)c2n1 12232488 ITRODRALHHYXES-GOSISDBHSA-N 434.544 3.555 0 40 IHAB O=C(Cn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O)Nc1ccc(C(F)(F)F)cc1 12237702 RBNYVNGIHACROH-UHFFFAOYSA-N 447.804 3.893 0 40 IHAB CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CCn1c(=O)oc2ccccc21 12484311 FEWMSQQIJXGXPV-UHFFFAOYSA-N 436.295 3.779 0 40 IHAB C[C@@H](Sc1nnc(Cc2cccs2)n1-c1ccccc1)C(=O)NC[C@H]1CCCO1 12512411 KKKCJSIQZGOHHW-NVXWUHKLSA-N 428.583 3.695 0 40 IHAB COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)NCc2ccccc2)c(OC)c1 12662399 AVRNXAYFHJFLFS-HRNNMHKYSA-N 438.568 3.688 0 40 IHAB biogenic CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)Cc1c(C)nn(-c2ccccc2)c1C 12678282 OEJUIISXQPBCPK-VWLOTQADSA-N 443.551 3.676 0 40 IHAB Cc1ccc(C)c(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@@H]2CCS(=O)(=O)C2)c1 12774238 CCKOIRAPMLIAOU-QGZVFWFLSA-N 438.553 3.846 0 40 IHAB O=C(c1ccc(-c2ccccc2F)o1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 12825273 XVIUYPIYSYZUCJ-UHFFFAOYSA-N 448.903 3.886 0 40 IHAB COc1cc(OC)c(NC(=O)CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1Cl 12914846 UZEBAXHHNUFCKH-OAHLLOKOSA-N 431.920 3.646 0 40 IHAB Cc1ccccc1N(CC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1)S(C)(=O)=O 13108422 NEBKPDJGVWAJAT-KRWDZBQOSA-N 443.594 3.777 0 40 IHAB CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)c2ccco2)CC1 13117200 CJDQGABODXENKA-HSZRJFAPSA-N 433.508 3.816 0 40 IHAB CCOc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)ccc1OC 13137177 WWUHNKDTUBUAAO-UHFFFAOYSA-N 432.542 3.829 0 40 IHAB O=C1CN(C(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)c2ccccc2N1 13566847 JLZBUOPKGMJDEG-HSZRJFAPSA-N 433.489 3.653 0 40 IHAB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 13671096 CEWRQELLOZDYJO-QGZVFWFLSA-N 432.542 3.582 0 40 IHAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)Nc1ccc(Br)cc1Cl 13692138 HFWYCNRLFFVPLT-UHFFFAOYSA-N 448.704 3.776 0 40 IHAB COc1cc(NC(=O)NCCCn2nc(-c3ccc(Cl)cc3)ccc2=O)cc(OC)c1 13801813 XOQRGHQBKUVPAP-UHFFFAOYSA-N 442.903 3.793 0 40 IHAB CC(=O)c1ccc(NC(=O)CSc2nnc(COc3ccccc3Cl)n2C)cc1 13841791 PEXGJAIGMXRFLZ-UHFFFAOYSA-N 430.917 3.981 0 40 IHAB O=C(c1cccc(N2CCCS2(=O)=O)c1)N1CCC[C@H](c2nc3ccccc3s2)C1 14072719 KSBZDJHCJUYZFK-KRWDZBQOSA-N 441.578 3.856 0 40 IHAB O=c1[nH]c(CSc2nnc(-c3cccs3)n2C[C@H]2CCCO2)nc2ccsc12 14160127 VRCCOMDKYDMPTF-LLVKDONJSA-N 431.568 3.776 0 40 IHAB CCOC(=O)c1c(C)oc2ncn(Cc3csc(COc4ccc(F)cc4)n3)c(=O)c12 14902966 OKJFXGXSWXXOTB-UHFFFAOYSA-N 443.456 3.698 0 40 IHAB COc1ccc(OC)c(NC(=O)C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)c1 15082527 BGERBBTZHPDHBP-UHFFFAOYSA-N 446.569 3.668 0 40 IHAB COc1cc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccccc3[nH]2)cc(OC)c1OC 15084817 KDUVBTBJCFVZMD-CQSZACIVSA-N 433.468 3.557 0 40 IHAB Cc1cc(Cl)ccc1NC(=O)CN1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 15546028 YHLLDUMKLJPULW-NRFANRHFSA-N 427.932 3.867 0 40 IHAB CC1(C)CS(=O)(=O)N(c2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2)C1=O 15843246 LOGSEEBJCLICNY-UHFFFAOYSA-N 426.416 3.660 0 40 IHAB CCc1ccc(NC(=O)CN(CC)S(=O)(=O)c2ccc(Br)cc2)cc1 16161748 TWWRZWNMWVFOLO-UHFFFAOYSA-N 425.348 3.661 0 40 IHAB COc1ccc(NC(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc2)cc1Cl 16226872 JMJCWQMPEQVGQR-UHFFFAOYSA-N 438.933 3.587 0 40 IHAB CC(=O)N1CCN(c2ccc(NC(=O)COc3c(C)cc(Cl)cc3Cl)cc2)CC1 16281992 WRXNQANQYJVNLG-UHFFFAOYSA-N 436.339 3.988 0 40 IHAB CN(C)S(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)cc1 16806064 LMANFLBEUUHYAX-UHFFFAOYSA-N 432.505 3.799 0 40 IHAB O=C(Nc1ccccc1Cl)N1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O 16847622 BZVXBGPRTSJUKP-UHFFFAOYSA-N 430.867 3.598 0 40 IHAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc([C@@H]3COc4ccccc4O3)o2)c1C 17659116 GBTVKWVBUHTWBF-DOMZBBRYSA-N 443.481 3.677 0 40 IHAB Cc1cc(CC(=O)N(Cc2ccccc2)Cc2nc(N(C)C)ncc2-c2cc(C)no2)on1 19120360 GJUCETWTIYFHNV-UHFFFAOYSA-N 446.511 3.574 0 40 IHAB COc1ccc(CN2CC[C@](Cc3ccc(-c4cccnc4)cc3)(C(N)=O)C2)cc1OC 19560793 VJOMQDCNAKOQBV-AREMUKBSSA-N 431.536 3.686 0 40 IHAB CN(C)C(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCCN(C(=O)c2cccc(F)c2)C1 19579263 VZTSDPRNWQETBP-AREMUKBSSA-N 446.526 3.836 0 40 IHAB CNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)Cc2cccnc2)C1 19591149 WBVDLTQTJSGEKP-VWLOTQADSA-N 433.577 3.950 0 40 IHAB CN(C)c1ncc(CN2CCC([C@H]3CCCCN3C(=O)Cc3ccccc3F)CC2)cn1 19746561 UNOCXPMFFMYWPV-HSZRJFAPSA-N 439.579 3.518 0 40 IHAB Cc1ccc(CC(=O)N2CCC[C@H](c3ncc(C(=O)NCc4ccccc4)c(C)n3)C2)cc1 19763037 QTGWEPSTTUNEHI-QHCPKHFHSA-N 442.563 3.972 0 40 IHAB COc1ccc(NC(=O)c2cnc([C@H]3CCN(C(=O)Cc4ccc(F)cc4)C3)nc2C)cc1 19766225 NRTLCHQXDFIBTQ-SFHVURJKSA-N 448.498 3.744 0 40 IHAB CCN(CC(=O)Nc1ccccc1SC)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930312 FGLIASKIUVMCPV-UHFFFAOYSA-N 428.963 3.720 0 40 IHAB Cc1cccc(OC(=O)CSc2nc(-c3ccc(Cl)cc3)nc3cc(=O)[nH]n23)c1 21885408 KPUIWOGUGFLPPL-UHFFFAOYSA-N 426.885 3.744 0 40 IHAB CCc1ccc(-c2csc(NC(=O)[C@H](C)NS(=O)(=O)c3ccc(OC)cc3)n2)cc1 22066132 YEEBWCONIJNSMW-AWEZNQCLSA-N 445.566 3.687 0 40 IHAB O[C@@H](COCc1ccc2c(c1)OCO2)CN1CCC(c2nc3ccccc3s2)CC1 23410216 RDKURRUGTRYWHQ-GOSISDBHSA-N 426.538 3.782 0 40 IHAB O=C(OCc1coc(-c2cccs2)n1)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O 24890095 JEJUSIPWGRMAOF-OAHLLOKOSA-N 438.461 3.535 0 40 IHAB COCCN(CCOC)Cn1nc(-c2ccccc2)n(-c2ccc(F)cc2F)c1=S 25158950 CHPKIWUXULCPQT-UHFFFAOYSA-N 434.512 3.901 0 40 IHAB O=C(c1ccccc1-c1ncc(-c2ccccc2F)o1)N1CCN(c2cnccn2)CC1 25835981 RLTCWFAUBFHFBQ-UHFFFAOYSA-N 429.455 3.900 0 40 IHAB O[C@@]1(c2ccc(Br)cc2)CN(c2ccc3c(c2)OCO3)C2=[N+]1CCCCC2 27525139 QWCXTTRTYHJDEZ-OAQYLSRUSA-N 430.322 3.828 0 40 IHAB O=C(CSc1noc(-c2cccc(Br)c2)n1)Nc1ccc2c(c1)OCO2 28527241 MWHQPHGVNMFDQK-UHFFFAOYSA-N 434.271 3.959 0 40 IHAB COc1cc(Cl)c(C)cc1N[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 28806376 OTNXAVJNEOKRNB-AWEZNQCLSA-N 428.920 3.894 0 40 IHAB CN(Cc1ccc(OC(F)F)cc1)C(=O)COC(=O)CNc1nc2ccccc2s1 30346394 ANJKDILZDDEIAZ-UHFFFAOYSA-N 435.452 3.511 0 40 IHAB COc1ccc(CNC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)cc1OC 30870065 ZRVMPYXYPNMKEX-UHFFFAOYSA-N 446.550 3.520 0 40 IHAB Cc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 32784430 MEDMKZXXPCIMBL-SFHVURJKSA-N 426.563 3.631 0 40 IHAB CS(=O)(=O)Nc1cc(NC(=O)COc2ccccc2Cc2ccccc2)ccc1F 32908031 OEDSCHOBSJIXNT-UHFFFAOYSA-N 428.485 3.806 0 40 IHAB O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccccc1-n1cccn1 32932130 AGEOBVJZRMFWEC-UHFFFAOYSA-N 430.917 3.563 0 40 IHAB Cc1ccc(Cn2c(=O)c3ccccc3n(Cc3nc(-c4ccccc4C)no3)c2=O)cc1 38487317 JPGMJBJTSYBGKX-UHFFFAOYSA-N 438.487 3.927 0 40 IHAB O=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2cccc(OCc3cscn3)c2)CC1 40052660 SLNSAXAXXBSVFY-UHFFFAOYSA-N 441.940 3.974 0 40 IHAB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CSCc2ccncc2)c1 40152569 SUTSIKOPMVITPK-UHFFFAOYSA-N 427.551 3.779 0 40 IHAB CCOc1ccc(S(=O)(=O)NCC2CCN(C(=O)Nc3ccc(F)cc3)CC2)cc1C 43962328 ACGJYBKFLLWFQN-UHFFFAOYSA-N 449.548 3.755 0 40 IHAB Cc1ccc([C@H]2NC(=O)N(CC(=O)Nc3ccccc3C(F)(F)F)C3=C2C(=O)OC3)cc1 49402925 LKJSCRKGFYIWOQ-LJQANCHMSA-N 445.397 3.530 0 40 IHAB Cc1ccc(Cn2c(=O)c3sccc3n(CC(=O)Nc3cccc(F)c3)c2=O)cc1C 57427048 BQSIEHKIJGSLSL-UHFFFAOYSA-N 437.496 3.668 0 40 IHAB O=C(Cn1c(=O)n(Cc2ccccc2Cl)c(=O)c2sccc21)Nc1ccccc1 57427885 BKPMROGVOJNHDI-UHFFFAOYSA-N 425.897 3.565 0 40 IHAB O=C(Cn1c(=O)n(Cc2ccccc2Cl)c(=O)c2sccc21)Nc1ccc(F)cc1 57486416 WUVANDWUEHZGCD-UHFFFAOYSA-N 443.887 3.704 0 40 IHAB COc1cccc([C@H]2[C@@H](C(=O)Nc3nc4ccc(C)cc4s3)CC(=O)N2C)c1OC 61720276 AVLSVUZUYBJDPZ-LIRRHRJNSA-N 425.510 3.780 0 40 IHAB COc1ccc2c(c1)[C@@H](N(CC(=O)NCCCOC(C)C)Cc1ccccc1)CCO2 72296473 CPIVUETWCVOSTO-QHCPKHFHSA-N 426.557 3.952 0 40 IHAB Cc1nc(C2CCN(C(=O)CC[C@H]3CCCO3)CC2)nc2c1CCC(=O)N2C1CCCC1 72371168 LMBJFYIHOURYIK-HXUWFJFHSA-N 440.588 3.672 0 40 IHAB O=C([C@@H]1COc2ccccc2O1)N1CCC[C@H](c2nnc(-c3ccccc3F)s2)C1 77177468 VIWXZNXCSNJYLZ-LIRRHRJNSA-N 425.485 3.890 0 40 IHAB COCCCn1c(SCc2ccc(OC)cc2)nc2cc(OC)c(OC)cc2c1=N 100330731 FCHYROXHFYQBSM-UHFFFAOYSA-N 429.542 3.870 0 40 IHAB C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1)[C@H]1C[C@H]2CC[C@H]1C2 102260293 PHDMAZLTMAJHEY-MWRIXTAVSA-N 438.593 3.988 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)N(c2ccc(C)cc2)S(C)(=O)=O)c(C)c1 219099734 HFKIJQURPWQJLC-HXUWFJFHSA-N 432.542 3.663 0 40 IHAB Cc1ccc2c(c1)[C@H](NC(=O)CCCN(C)S(=O)(=O)c1ccccc1)CC(C)(C)O2 219727246 KWZYCYBXEGDORP-HXUWFJFHSA-N 430.570 3.814 0 40 IHAB CC(C)Oc1cccc(N(CC(=O)Nc2ccccc2Br)S(C)(=O)=O)c1 220101855 WPXJAWOSRBSYBT-UHFFFAOYSA-N 441.347 3.641 0 40 IHAB CC[C@@H](C(=O)NCCSc1ccc(Cl)cc1)N(c1ccccc1F)S(C)(=O)=O 220589070 FAEOCEIFJWBSGC-KRWDZBQOSA-N 444.981 3.932 0 40 IHAB CCOc1ccc(N(CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)S(C)(=O)=O)cc1 222918916 WZNCTGIOPUWUOI-KRWDZBQOSA-N 430.570 3.608 0 40 IHAB C[C@@H](NC(=O)CN(c1ccc(C(F)(F)F)cc1)S(C)(=O)=O)c1ccc2c(c1)CCC2 223233827 WNWGQCUATKGTAP-CQSZACIVSA-N 440.487 3.838 0 40 IHAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(CC)cc1 223458098 ZAYLWSRQLQVKKH-LJQANCHMSA-N 426.557 3.970 0 40 IHAB CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1C(C)(C)C 224047716 VYAORANZPHDRAT-GOSISDBHSA-N 426.557 3.925 0 40 IHAB CC1(C)C[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c2ccccc2O1 225489047 IXNVPILUZSAWRO-HXUWFJFHSA-N 446.544 3.645 0 40 IHAB COC(=O)c1cc(S(=O)(=O)NCCCc2ccc(OC(C)C)cc2)ccc1Cl 225584966 NMASQYZVHMVCLW-UHFFFAOYSA-N 425.934 3.825 0 40 IHAB CC(C)S(=O)(=O)c1ccc(CC(=O)N2CC[C@H](Oc3ccc4ccccc4n3)C2)cc1 225738785 BVPLPJMAUAFPHI-FQEVSTJZSA-N 438.549 3.639 0 40 IHAB CN(C(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 226027091 PYYUQQFRPGPRNH-UHFFFAOYSA-N 430.476 3.819 0 40 IHAB COc1ccc(-c2noc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c2[C@H](C)O)cc1 253407764 WSZZDLZKRFEJPF-HNNXBMFYSA-N 425.460 3.505 0 40 IHAB biogenic,in-vitro Cc1cc(OC[C@]2(O)CCCN(CC(=O)NCCc3ccccc3)C2)cc(C)c1Cl 257205500 AZJNWYHTRXUAOH-DEOSSOPVSA-N 430.976 3.521 0 40 IHAB O=C(c1cnccn1)N1CCO[C@@H](c2cccc(Cc3ccccc3C(F)(F)F)n2)C1 257228424 FTUPAQSEGBRLTB-HXUWFJFHSA-N 428.414 3.695 0 40 IHAB O=C(CN1C[C@@H](c2cccc(F)c2)[C@@]2(CCCC(=O)N2)C1)Nc1ccccc1C(F)(F)F 257246309 ITOGKTKZEWAXNS-PGRDOPGGSA-N 449.448 3.921 0 40 IHAB O=C1CCCN1CCOc1cccc(C(=O)N2CC[C@H](Cc3ccc4ncccc4c3)C2)c1 257270503 MUMPKZZYXDXGRL-OAQYLSRUSA-N 443.547 3.941 0 40 IHAB CC(C)NC(=O)C1(Cc2ccccc2-c2ccncc2)CCN(C(=O)c2cnccn2)CC1 257274708 NMGOSDIYABATLB-UHFFFAOYSA-N 443.551 3.528 0 40 IHAB CCc1ccc(CN2CCC3(CC2)CN(C(=O)OC)Cc2nnc(-c4ccccc4)n23)o1 306135830 PCEHUNDTNSLRSW-UHFFFAOYSA-N 435.528 3.674 0 40 IHAB S=C(NCCN1CCOCC1)c1cc(Br)ccc1OCc1ccccc1 408576012 PHYRMXUXHZXVPS-UHFFFAOYSA-N 435.387 3.625 0 40 IHAB Cc1cccc(C)c1NC(=O)COC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1 408661082 OCYJJISUHWLINE-GPHNJDIKSA-N 446.503 3.634 0 40 IHAB Cc1cccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Br)cc2)c1C 408661213 DWVDJGGZJITJIC-UHFFFAOYSA-N 433.302 3.967 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCCSCc1ccccc1Cl)c1ccccc1 408693942 CMRKHTDLAOXEBM-UHFFFAOYSA-N 441.018 3.936 0 40 IHAB NC(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1 409067871 ZXWOUQAJDZOELD-UHFFFAOYSA-N 427.504 3.943 0 40 IHAB CC(C)c1ccc(OCC(=O)N2CCC[C@H](Oc3ncc(Br)cn3)C2)cc1 575611677 FTUJJJXGSANEOU-SFHVURJKSA-N 434.334 3.811 0 40 IHAB O=C(c1ccsc1)N1CCO[C@]2(C1)C(=O)N(Cc1cccs1)C[C@H]2c1ccccc1 585106852 JOKPIFALWWXHKC-REWPJTCUSA-N 438.574 3.847 0 40 IHAB CC(C)n1c(CCCN2C(=O)[C@@H](C(N)=O)[C@H]3C[C@@]2(C)Oc2ccccc23)nc2ccccc21 604418580 ZQUFQJMXZQWKIE-YPAAYVHUSA-N 446.551 3.776 0 40 IHAB O=C(Cc1ccc(F)cc1)N1CCO[C@@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 607855350 TZGYWDUPIKZFHF-JOCHJYFZSA-N 443.906 3.966 0 40 IHAB CS(=O)(=O)c1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc2ccccc2c1 1740816565 MWXNQDXTXWWJSR-UHFFFAOYSA-N 431.466 3.870 0 40 IHAB CCCc1c(C)c2ccc(OC(=O)CCNS(=O)(=O)c3ccc(C)cc3)cc2oc1=O 627463 KFTLLOXJMPLXSR-UHFFFAOYSA-N 443.521 3.636 0 40 IHAB CCN(CC)C(=O)c1cnn(-c2ccccc2C)c1NC(=O)c1ccc(OC)c(OC)c1 644299 WBDLBCXQNQTEFS-UHFFFAOYSA-N 436.512 3.932 0 40 IHAB CCOC(=O)c1c(NC(=O)CSc2nnc(-c3cccnc3)o2)sc2c1CCC2 2082591 KXCLKVZWEIVGLB-UHFFFAOYSA-N 430.511 3.589 0 40 IHAB CCOC(=O)C1=NN(c2ccc(C)cc2)C2=NC(C)=C(C(=O)OCC)[C@H](c3ccccc3)N12 2181271 CPAJPJGFKGKVHJ-NRFANRHFSA-N 446.507 3.942 0 40 IHAB O=C(Nc1ccc2c(c1)OCCO2)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 2620564 QSPUDQDPHCLVAS-UHFFFAOYSA-N 436.917 3.538 0 40 IHAB O=C(CSc1nc2c(c(=O)n1-c1ccc(Cl)cc1)SCC2)NCc1ccccc1 2719998 JZVFAEBQIAUJTM-UHFFFAOYSA-N 443.981 3.943 0 40 IHAB CCc1nnc(NC(=O)c2ccccc2SCC(=O)Nc2ccc3c(c2)OCO3)s1 3427803 BYFKODSMYBQTJG-UHFFFAOYSA-N 442.522 3.812 0 40 IHAB O=C(N[C@H](Cc1ccccc1)C(=O)OCC(=O)c1cc(F)ccc1F)c1cccs1 3428397 WTSZXJFLVYJUAV-GOSISDBHSA-N 429.444 3.794 0 40 IHAB COc1cccc(C2=NN(C(=O)c3ccccc3Br)[C@@](O)(C(F)(F)F)C2)c1 4163784 UMNAYBZYYLLOLC-KRWDZBQOSA-N 443.219 3.959 0 40 IHAB Cc1ccc(S(=O)(=O)[C@@H](CNC(=O)COc2ccc(Cl)cc2)c2cccnc2)cc1 8718016 PWDFPSKACUKNLC-NRFANRHFSA-N 444.940 3.754 0 40 IHAB COCc1c(C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)sc2cccc(F)c12 8749172 HHCNHPZSVWTISV-UHFFFAOYSA-N 436.530 3.998 0 40 IHAB COc1cc(OC)cc(C(=O)NC2CCN(CC(=O)Nc3cccc4ccccc34)CC2)c1 8772944 FLTWRWRVUAWUBO-UHFFFAOYSA-N 447.535 3.690 0 40 IHAB COc1ccc(-c2noc(-c3cccc(N4C(=O)[C@H]5[C@H]6CC[C@H](C6)[C@H]5C4=O)c3)n2)cc1OC 9216190 PPTLNUMESRNWKF-BAEXCKCRSA-N 445.475 3.956 0 40 IHAB O=C(Cc1csc(-c2ccc(F)cc2)n1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 9255283 OZMDZJFIKBPMGV-UHFFFAOYSA-N 436.512 3.998 0 40 IHAB O=C(CSc1nnc(-c2ccccn2)n1Cc1ccco1)Nc1ccc(F)cc1F 9463993 KBUHCSMMRORUNP-UHFFFAOYSA-N 427.436 3.990 0 40 IHAB CCc1ccccc1NC(=O)COC(=O)CCS(=O)(=O)c1ccc2ccccc2c1 9525831 DANVTJAFGIRVLJ-UHFFFAOYSA-N 425.506 3.748 0 40 IHAB COc1ccc(-c2nc3scc(CCNC(=O)c4c(F)cccc4F)n3n2)cc1OC 9568899 NVAHRYCSNRBRLK-UHFFFAOYSA-N 444.463 3.726 0 40 IHAB Cc1c(NC(=O)[C@@H](C)Sc2ccc3c(c2)OCCCO3)c(=O)n(-c2ccccc2)n1C 9575460 DVZALXACYORLGL-MRXNPFEDSA-N 439.537 3.765 0 40 IHAB COc1ccc(CCNC(=O)COC(=O)C2(c3ccccc3F)CCCC2)cc1OC 9597175 KJKNGWZVXTVXEU-UHFFFAOYSA-N 429.488 3.557 0 40 IHAB COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3cccnc3)nn2[C@@H]1c1ccncc1 9602034 IDUBBGLJOGONCG-OAQYLSRUSA-N 439.479 3.671 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(F)ccc2C)Cc2ccco2)cc1 9635076 TWIGWVIYLOCIQG-UHFFFAOYSA-N 432.473 3.565 0 40 IHAB CN(C)[C@H](CNC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccco1 9813025 HBIVYBAFBGUMTN-MRXNPFEDSA-N 444.885 3.982 0 40 IHAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)N(c3ccccc3)C3CCCCC3)C2=O)cc1 9963885 BCHYNQNVNSTCPZ-VWLOTQADSA-N 435.524 3.828 0 40 IHAB Cc1ccc(-c2csc3ncn(CC(=O)NCCCN4CCC(C)CC4)c(=O)c23)cc1 10090206 LBXFALDEIUOMBP-UHFFFAOYSA-N 438.597 3.672 0 40 IHAB COc1ccc(-c2noc(CN3CCCc4c(C(=O)NC(C)C)cccc43)n2)cc1OC 10133453 OYAMAWQEZWRQFC-UHFFFAOYSA-N 436.512 3.845 0 40 IHAB CCc1ccc(NC(=O)CSc2nc(=O)n(Cc3ccncc3)c3c2CCCC3)cc1 10186697 OELPDCWDRQNJNG-UHFFFAOYSA-N 434.565 3.859 0 40 IHAB Cc1cccc(Nc2nnc(SCC(=O)NCC(=O)Nc3ccc(F)cc3)s2)c1C 10211271 TWIBZBIGOUBLMJ-UHFFFAOYSA-N 445.545 3.885 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)c(C)c1 10447254 KVFHTTZLYHEQNW-QGZVFWFLSA-N 432.542 3.582 0 40 IHAB Cc1ccc2cc(CCNC(=O)c3ccccc3I)c(=O)[nH]c2c1C 11726478 VCSAJOPWLPLCMD-UHFFFAOYSA-N 446.288 3.722 0 40 IHAB COc1ccc(Cl)cc1NC(=O)CSc1ncnc2c1nnn2-c1ccc(C)cc1 11758575 AWGIJXWMFNWTMW-UHFFFAOYSA-N 440.916 3.912 0 40 IHAB O=C(CCn1cnc2ccc(Br)cc2c1=O)N1CCC[C@@H]1c1ccccc1 12807895 UWBCJHJXOCJBJO-LJQANCHMSA-N 426.314 3.913 0 40 IHAB COC(=O)C1=C(C)N(c2ccc3c(c2)OCO3)C(=O)N[C@@H]1c1ccccc1Br 12856696 BNZMWSZLXDSVKD-GOSISDBHSA-N 445.269 3.896 0 40 IHAB CCCn1c(SCC(=O)c2cc(C)n(Cc3ccc(F)cc3)c2C)nc(O)cc1=O 12922614 SVWUQKHMPLEMRM-UHFFFAOYSA-N 429.517 3.940 0 40 IHAB C[C@@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)C(=O)Nc1ccc(C(N)=O)cc1 13164810 VAPCSFJYHGGSGC-OAHLLOKOSA-N 447.520 3.805 0 40 IHAB Cc1cc(C(F)(F)F)n2nc([C@H]3CCCN(C(=O)Cc4ccc5c(c4)OCO5)C3)cc2n1 13225534 YXVDLOHKZDFNKW-HNNXBMFYSA-N 446.429 3.734 0 40 IHAB CN1C[C@H](c2ccccc2F)[C@@]2(COc3ccccc3C2=O)[C@@]12C(=O)Nc1ccccc12 13396055 MIMUXDSTTFGLPT-WGURPXDASA-N 428.463 3.964 0 40 IHAB Cc1ccc(N(CC(=O)NC2CCCCC2)C(=O)CCC(=O)Nc2nccs2)cc1C 13501730 AVRDIGHGEPDRDQ-UHFFFAOYSA-N 442.585 3.961 0 40 IHAB COc1cccc([C@H]2CC(=O)Nc3nc(SCc4ccc(F)cc4)[nH]c(=O)c32)c1OC 13567352 IYBKTFYCBAXJJM-OAHLLOKOSA-N 441.484 3.693 0 40 IHAB O=S1(=O)c2ccccc2[C@H](O)[C@H](Cc2c(F)cccc2Cl)N1Cc1cccnc1 13690275 BYYBMMMYSVDTPP-FPOVZHCZSA-N 432.904 3.723 0 40 IHAB CCn1c(CC(=O)Nc2ccc(C)c(C)c2)nnc1SCC(=O)N[C@H]1CCCC[C@H]1C 13955964 SCHPEJGRAJOTRP-APWZRJJASA-N 443.617 3.883 0 40 IHAB CCc1ccc(OCC(=O)Nc2ccccc2C(=O)N2CCOCC2)c(Br)c1 13996607 ZGOOMICSUDEIBL-UHFFFAOYSA-N 447.329 3.501 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCc1ccc(Cl)cc1Cl)c1ccc(F)cc1 14397764 MKNRRZLTLSCKLR-UHFFFAOYSA-N 433.332 3.995 0 40 IHAB CC(C)CCn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nc2ccccc2c1=O 15128539 GGDHKISKACILGJ-UHFFFAOYSA-N 439.537 3.580 0 40 IHAB COc1ccc(-n2nc(C)c([C@@H]3C=C[C@@H](NS(=O)(=O)c4cccs4)C3)c2C)cc1 15673886 OOZAFSMNLMHOBY-IAGOWNOFSA-N 429.567 3.950 0 40 IHAB biogenic,in-vitro COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 16188160 NIWZNAOSYPKIHU-UHFFFAOYSA-N 437.732 3.915 0 40 IHAB O=C(O)C[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 16697025 RPXXCGBSEMSKNB-FQEVSTJZSA-N 428.485 3.853 0 40 IHAB CCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)CC)CCC3)cc1 17269632 NYDVLUTZCTXPFR-UHFFFAOYSA-N 429.542 3.915 0 40 IHAB CCS(=O)(=O)N1CCc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2C1 17316616 ZWGOJJADKRFZLK-UHFFFAOYSA-N 443.352 3.719 0 40 IHAB O=C(NN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1cccc(Cl)c1 17953425 ZICMLKHLNQERCF-JQBYJRRVSA-N 428.875 3.877 0 40 IHAB COC(=O)[C@@H](Nc1nc(-c2ccccn2)nc2c1CN(Cc1ccc(F)cc1)CC2)C(C)C 19445279 KRHBVPNDXITBQO-QFIPXVFZSA-N 449.530 3.846 0 40 IHAB CC(C)Oc1cc(CCC(=O)N2CCC[C@H](c3nc(-c4cccs4)cc(=O)[nH]3)C2)on1 19450519 KSJGWZQAQNZJHQ-HNNXBMFYSA-N 442.541 3.612 0 40 IHAB CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CN(C(=O)CCc2ccc(F)cc2)CCO1 19702761 HHJKWNUSJQDIHJ-SFHVURJKSA-N 441.528 3.670 0 40 IHAB COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NC2CCCCCC2)cc1C 20008497 JCFSEFNSSZCOHX-QFIPXVFZSA-N 444.597 3.732 0 40 IHAB COc1cc(Br)c(S(=O)(=O)NCC2(c3ccccc3)CCC2)cc1OC 22195271 BMFJGGBBODXXRW-UHFFFAOYSA-N 440.359 3.867 0 40 IHAB CCOC(=O)c1c(C)[nH]c(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)c1C 22357356 JPKPGHHLLRQUGB-UHFFFAOYSA-N 432.830 3.717 0 40 IHAB CCOC(=O)C1CCN([C@@H](c2ccccc2F)c2sc3nc(CC)nn3c2O)CC1 22853479 BTBNVJKJOYMJGY-KRWDZBQOSA-N 432.521 3.562 0 40 IHAB CCOc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1 25214320 SIORWZOZSNGFEC-GOSISDBHSA-N 432.476 3.773 0 40 IHAB O=C(NC(=S)NC[C@H](c1cccs1)N1CCOCC1)c1ccc(Cl)cc1Cl 25325914 IUMSDUYEOJRBNU-OAHLLOKOSA-N 444.409 3.733 0 40 IHAB C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1)c1ccncc1 25379674 SNOHCDRJPFZKMO-HNNXBMFYSA-N 429.929 3.705 0 40 IHAB C[C@@H]1Cc2cc(C(=O)N3CCC[C@H]3c3nc4ccccc4s3)ccc2N1S(C)(=O)=O 31390621 SUIUKDOCRYHHKO-KUHUBIRLSA-N 441.578 3.984 0 40 IHAB O=C1CSc2sc3c(=O)n(C[C@H](c4ccccc4)N4CCCCC4)cnc3c2N1 32624518 VCBATQVTWJOUOS-OAHLLOKOSA-N 426.567 3.729 0 40 IHAB Cc1cccc(C(=O)Nc2ccc(OCC(=O)Nc3ccccc3SCC(N)=O)cc2)c1 32741590 YAVBIUWIRDBDFY-UHFFFAOYSA-N 449.532 3.842 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)/N=c2\cc(C)[nH]c3ccccc23)c1 32845140 GRSVYMUWJHSVFM-UHFFFAOYSA-N 431.945 3.901 0 40 IHAB COc1ccc(NC(=O)CSc2nc(-c3ccco3)nc(C)c2C(C)=O)c(OC)c1 32902147 VIRHSJRPGLGTJV-UHFFFAOYSA-N 427.482 3.996 0 40 IHAB CN(C)S(=O)(=O)N(Cc1ccc(Cl)cc1)Cc1nc(-c2ccc(Cl)cc2)no1 33428910 FFTQEORBHCDXLU-UHFFFAOYSA-N 441.340 3.852 0 40 IHAB Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1NC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)O 33635163 AERZNFQRFULWTE-TWMKSMIVSA-N 438.311 3.672 0 40 IHAB Cc1cc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)no1 33881034 QHZZRXRMKXNYAF-UHFFFAOYSA-N 436.833 3.598 0 40 IHAB COc1cc2cc3c(N)c(C(=O)NCc4ccc5c(c4)OCO5)sc3nc2cc1OC 35313265 BZFAXWUYHAUCQO-UHFFFAOYSA-N 437.477 3.708 0 40 IHAB C[C@@H](NCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccc(S(C)(=O)=O)cc1 57383151 IRXNRVONMTYWJZ-MRXNPFEDSA-N 444.553 3.811 0 40 IHAB Cc1cccc(N(C)C(=O)Cn2c(=O)n(Cc3ccc(C)c(C)c3)c(=O)c3sccc32)c1 57427053 HWWGWJRAITYLFZ-UHFFFAOYSA-N 447.560 3.861 0 40 IHAB Cc1ccc(NC(=O)Cn2c(=O)n(-c3cccc(C)c3C)c(=O)c3sccc32)cc1F 67218414 UAGSRIYCKAORBS-UHFFFAOYSA-N 437.496 3.917 0 40 IHAB Oc1nc(-c2ccccn2)nc2c1CN(Cc1ccccc1OCc1ccccn1)CC2 72339887 ZBFWGFZJDNEKSK-UHFFFAOYSA-N 425.492 3.777 0 40 IHAB O=C(O)CCC(=O)N1N=C(c2cccc(Br)c2)C[C@@H]1c1nc2ccccc2[nH]1 79112270 CSWLZPCAKGQZNV-QGZVFWFLSA-N 441.285 3.868 0 40 IHAB Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(=O)NCCc3ccccn3)ccc12 79193161 DDNUEMSADIVBJX-UHFFFAOYSA-N 428.488 3.825 0 40 IHAB biogenic Cc1ccc(-c2nc(C)sc2CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1 89640956 UQRHCIKOKRCASZ-UHFFFAOYSA-N 429.567 3.858 0 40 IHAB CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2nnc(/C=C/c3ccco3)s2)cc1 95449964 AEHZOIXBPDSMOA-RUNBWSAHSA-N 432.527 3.631 0 40 IHAB COC(=O)C[C@H](c1c(O)n[nH]c1Cc1ccccc1)c1coc2ccc(OC)cc2c1=O 96115733 GVZCIAVPWPHTRP-INIZCTEOSA-N 434.448 3.516 0 40 IHAB biogenic O=C(Cc1ccccc1Br)N1CCN(c2cc(-c3ccccc3)n[nH]2)CC1 98211663 OVONVBBLSMONQV-UHFFFAOYSA-N 425.330 3.731 0 40 IHAB O=c1cccc2n1C[C@H]1C[C@H]2CN(c2nc(Cl)nc(Nc3ccc(Cl)cc3)n2)C1 100156821 MBOWRXNOPZCLNQ-STQMWFEESA-N 429.311 3.707 0 40 IHAB CC(C)C(=O)N1CCc2nc3cc(C4CCN(C[C@H]5CC=CCC5)CC4)nn3c(O)c2C1 100232696 QBBQDCXXEWIFTG-SFHVURJKSA-N 437.588 3.511 0 40 IHAB CCCC(=O)N1CCc2nc3cc(C4CCN(C[C@H]5CC=CCC5)CC4)nn3c(O)c2C1 100232704 ZDTAVEDKDONHDY-SFHVURJKSA-N 437.588 3.655 0 40 IHAB Cc1ccc2c(c1)s/c(=N/C(=O)c1ccc(S(=O)(=O)N3CCC(C)CC3)cc1)n2C 100860563 OOXCVAHXPOIAJO-GHVJWSGMSA-N 443.594 3.710 0 40 IHAB COc1ccccc1NC(=O)C(=O)[C@H](C(=O)c1ccccc1F)[C@@H]1OC(=O)c2ccccc21 102967260 BWLOABWQSKIOGH-NZQKXSOJSA-N 447.418 3.753 0 40 IHAB COC(=O)[C@@]12[C@@H]3[C@H]4[C@@H]5[C@H]1[C@@H]1CCC[C@@H]1[C@H]5[C@]1(COc5ccccc5)[C@H]4[C@@H]4[C@H]3CC[C@H]4[C@@]21O 104294542 SADGSCBNNOBNKL-OYEPWFAFSA-N 432.560 3.780 0 40 IHAB COC[C@]1(CN)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218240181 DTPFLKOMZAQSHM-FGTMMUONSA-N 444.778 3.634 0 40 IHAB COc1ccc2c(c1)[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl)CC(C)(C)O2 219284189 FCRZKQNULIKRSW-KRWDZBQOSA-N 438.933 3.752 0 40 IHAB Cc1ccc(N([C@@H](C)C(=O)NCCSC2CCCCC2)S(C)(=O)=O)cc1Cl 220361251 IDCJUSYMHYZCCZ-HNNXBMFYSA-N 433.039 3.985 0 40 IHAB CC[C@H](C(=O)Nc1cccc(OC)c1)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 220745533 JOQAAEISAOUDQR-QGZVFWFLSA-N 426.922 3.541 0 40 IHAB CC[C@H](C(=O)NCCOc1ccc(C)cc1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O 222509771 CAEJOTCJZQSDKA-LJQANCHMSA-N 442.940 3.527 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N(C)c2ccc(F)cc2)C1 222598625 DCYVOHAMLXLTMU-CQSZACIVSA-N 440.924 3.551 0 40 IHAB COc1ccc(C(=O)N2c3ccc(S(=O)(=O)N4CCCCC4)cc3C[C@@H]2C)cc1C 223109933 KCPZWFBWLGNOEW-KRWDZBQOSA-N 428.554 3.770 0 40 IHAB COC[C@]1(C(N)=S)[C@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 252515956 OXOAOMWXKDCWAE-NUJGCVRESA-N 430.378 3.852 0 40 IHAB C[C@]12CC[C@@H](CNS(=O)(=O)c3ccccc3F)[C@H](O)[C@](C)(C[C@@H](c3ccccc3)C1)O2 257317317 VJHAAEXCSZPSDT-PPMIAYNCSA-N 447.572 3.987 0 40 IHAB Cc1ccc(C(=O)N2CCCC3(CCN(CC(C)C)CC3)[C@@H]2CNC(=O)N(C)C)cc1 306138388 RWIPBYQAOSFEGT-QFIPXVFZSA-N 428.621 3.609 0 40 IHAB CCOc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2cc(Cl)ccc2C)CC1=O 408659204 MGSAVNYCZAMQKJ-OAHLLOKOSA-N 430.888 3.582 0 40 IHAB Cc1ccccc1N1C[C@@H](C(=O)OCC(=O)c2ccc(OC(=O)c3ccco3)cc2)CC1=O 408662325 XWGQEBSLPWSGQP-SFHVURJKSA-N 447.443 3.586 0 40 IHAB CCCC[C@H](C(=O)OCC(=O)Nc1cc(Cl)ccc1C)N1C(=O)c2ccccc2C1=O 408666643 RJHSITAFBQBNPX-LJQANCHMSA-N 442.899 3.985 0 40 IHAB Cc1cc(OC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)ccc1N1C(=O)CCCC1=O 408674313 ZBMKDNZNSHRYFQ-HNNXBMFYSA-N 440.883 3.650 0 40 IHAB CCCOc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)cc1OC 409361399 SFFSRVKCUTVJHH-UYRXBGFRSA-N 432.542 3.779 0 40 IHAB O=C(CN1C(=O)C(=O)c2cc(Br)ccc21)Nc1cccc(Cl)c1Cl 409371442 JHOGHVYRTAUJKO-UHFFFAOYSA-N 428.069 3.924 0 40 IHAB CC(C)n1cccc1CNC(=O)CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12 524734560 QVMCWILZCKSCKC-DEOSSOPVSA-N 442.519 3.890 0 40 IHAB O=C(NCC(=O)N1CCC[C@@]12CCCN(c1ccc(C(F)F)nc1)CC2)c1ccccc1 585100707 UGVIBAVKBYPGAB-XMMPIXPASA-N 442.510 3.801 0 40 IHAB O=C(Cc1ccccc1)N1CCO[C@]2(C1)C(=O)N(Cc1cccs1)C[C@H]2c1ccccc1 585107551 ZNWLOBURLYRCBS-OZXSUGGESA-N 446.572 3.714 0 40 IHAB CCCn1cnc2cc(C(=O)N3CCN(C)CCCN(C(C)=O)c4ccccc4C3)ccc21 643554303 PABHFBZLAVAYTF-UHFFFAOYSA-N 447.583 3.777 0 40 IHAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc([C@@H](C)NC(=O)c2ccccc2)n1C 669168 SJLBYTIEZLRBQS-CQSZACIVSA-N 443.960 3.999 0 40 IHAB CC[C@H]1Oc2ccc(C(=O)n3nc(C)cc3C)cc2N(CC(=O)c2ccc(OC)cc2)C1=O 1328839 RQVZGQKNDUVIOB-JOCHJYFZSA-N 447.491 3.584 0 40 IHAB Cc1ccc(CN(C[C@H]2CCCO2)C(=O)CN2C(=O)[C@H](C(C)C)Oc3ccccc32)o1 1362025 LHIXRGFSBQWCNU-JPYJTQIMSA-N 426.513 3.546 0 40 IHAB CCCCCCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C(=O)OCC)CC3)cc21 2275957 MWYMBFWDCHFCBM-UHFFFAOYSA-N 447.507 3.698 0 40 IHAB COC(=O)CSc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)CCC[C@H]4C 2296271 CJIWPWJAFVMYAN-GFCCVEGCSA-N 440.550 3.800 0 40 IHAB COc1ccc(OC)c(C(=O)COC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)c1 2621842 DRSGWPDZQNFRGL-UHFFFAOYSA-N 428.872 3.950 0 40 IHAB C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nc2ccccc2n1CC(=O)N1CCCCC1 4859172 NSUXWILRFIVQOP-QZTJIDSGSA-N 428.602 3.930 0 40 IHAB O=C(CSc1nnc(CNC(=O)c2c(F)cccc2Cl)o1)Nc1cccc(F)c1 8594789 JXCYSTRFFDPTIT-UHFFFAOYSA-N 438.843 3.662 0 40 IHAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1 8612288 PATMJOBIWWWCRE-UHFFFAOYSA-N 448.500 3.866 0 40 IHAB aggregator CCN(CC)S(=O)(=O)c1cccc(NC(=O)CNc2ccc(Br)cc2)c1 8728984 NOYGELAPCPFABY-UHFFFAOYSA-N 440.363 3.530 0 40 IHAB COc1cc(NC(=O)NC[C@@H]2CN(c3cccc(Cl)c3)C(=O)O2)cc(OC)c1OC 8839552 YCRUTPFINWBMMC-OAHLLOKOSA-N 435.864 3.513 0 40 IHAB COc1ccc(N(CC(=O)Nc2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1 9317864 CBHCIFHJRUJLTI-UHFFFAOYSA-N 428.485 3.977 0 40 IHAB CC(=O)Nc1ccc(NC(=O)CSc2ccc3nnc(-c4cccc(F)c4)n3n2)cc1 9415053 DDHZKGNTVAFVQV-UHFFFAOYSA-N 436.472 3.620 0 40 IHAB COc1ccc2oc(C(=O)N3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)c(C)c2c1 9428833 FXTLGNIDTFZMOG-UHFFFAOYSA-N 436.464 3.969 0 40 IHAB CCCN1C(=O)[C@@]2(c3ccccc31)c1c(oc3cc(C)c(C)cc3c1=O)C(=O)N2CCOC 9431977 SXIOOJOFDHPYBA-AREMUKBSSA-N 446.503 3.512 0 40 IHAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)OCC(=O)NCc1ccc(Cl)cc1Cl 9439436 IRKIIKGIRBNKDX-HNNXBMFYSA-N 431.316 3.552 0 40 IHAB COc1ccc(NC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)cc1Cl 9544403 LHNKLZODUVJMNM-UHFFFAOYSA-N 427.865 3.978 0 40 IHAB Cc1cc(NC(=O)COC(=O)CCC(=O)c2ccc(Cl)cc2)n(-c2ccccc2)n1 9548165 MFBMNHDFYTXFNB-UHFFFAOYSA-N 425.872 3.979 0 40 IHAB O=S(=O)(Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2)c1ccccc1 9569497 RQDCDGQYKMLJKE-UHFFFAOYSA-N 446.525 3.768 0 40 IHAB CCS(=O)(=O)c1ccc(-c2cccc(NC(=O)COc3ccc(Cl)cc3)c2)nn1 9626869 LIQPSSOUSWGUIN-UHFFFAOYSA-N 431.901 3.608 0 40 IHAB O=C(CN1CCCSc2ccccc21)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 9876595 XIFDSEIOAHZNCJ-UHFFFAOYSA-N 445.610 3.802 0 40 IHAB COc1ccc(C(=O)N[C@@H](C)c2cc3ccccc3o2)cc1S(=O)(=O)N1CCCC1 9882311 NWPRQOXVDMMEDP-HNNXBMFYSA-N 428.510 3.717 0 40 IHAB CC1CCN(c2ccc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)cc2)CC1 10036341 SIWDBRCPQXIZLW-QFIPXVFZSA-N 445.560 3.854 0 40 IHAB Cc1cccc(-n2c(C)cn3c4c(=O)n(CCCc5ccccc5)c(=O)n(C)c4nc23)c1C 10271829 CQMCKOUHSXJKTR-UHFFFAOYSA-N 441.535 3.697 0 40 IHAB CCOC(=O)CC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCC3 10381713 BTLFDKPKYYHCEF-UHFFFAOYSA-N 428.535 3.550 0 40 IHAB O=C(Cc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1)Nc1ccc(F)cc1 11593224 KUDGTTOEKRMZKD-UHFFFAOYSA-N 429.429 3.716 0 40 IHAB CCn1c(SCC(=O)Nc2ccc(Br)cc2)nc2c(c1=O)S[C@@H](C)C2 11726497 OPFBADBTJZLSSE-JTQLQIEISA-N 440.388 3.793 0 40 IHAB CC(C)Oc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2cccnc2)CC3)cc1 11906525 YKKZCRFQZBHCLO-UHFFFAOYSA-N 437.521 3.873 0 40 IHAB COc1ccc2c(c1)CCCN2C(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 12808678 KIZAVLMJYURMFY-HDICACEKSA-N 442.581 3.955 0 40 IHAB CCOc1ccccc1NC(=O)CSc1nc2ccccc2n1CC(=O)N1CCCC1 12882211 GHGQZAVXJHZILN-UHFFFAOYSA-N 438.553 3.788 0 40 IHAB CC(C)c1ccc([C@H](NCc2nc3ccccc3c(=O)n2CC(N)=O)c2cccs2)cc1 12906174 TVYPXLSIFSQYDO-DEOSSOPVSA-N 446.576 3.946 0 40 IHAB C[C@@H](NCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1cccc2ccccc12 12995934 CYCADOGFLYTUHA-LJQANCHMSA-N 431.536 3.564 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccc3c(c2)OCO3)cc1C 13040618 ZMZYWRYRASGGQJ-UHFFFAOYSA-N 438.505 3.763 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(-c4ccccc4)cc3)CC2)cc1 13137116 RZUASTVRAHVWAB-UHFFFAOYSA-N 434.561 3.738 0 40 IHAB CCCCCCSc1nc(O)c([C@H]2OC(=O)c3c2ccc(OC)c3OC)c(=O)n1CC 13142137 QEJXBEVZSVGWDV-KRWDZBQOSA-N 448.541 3.918 0 40 IHAB CCOC(=O)c1c(NC(=O)Cn2c(C)nc3ccccc3c2=O)sc2c1CC[C@H](C)C2 13148874 LUZNXVMJJXOECH-ZDUSSCGKSA-N 439.537 3.707 0 40 IHAB CCC[C@H](c1nnnn1C(C)(C)C)N(CCCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O 13499505 WMUHLPBDSZSKGO-OAQYLSRUSA-N 440.592 3.612 0 40 IHAB O=C(CSc1nnc(COc2ccccc2Cl)n1C1CC1)NC(=O)c1cccs1 14141931 RPYXJUUOTRSIFF-UHFFFAOYSA-N 448.957 3.956 0 40 IHAB Cc1ccc(NC(=O)CN2CCN(C(=O)c3ccc(COc4ccccc4)o3)CC2)cc1 14184776 ZCZYVPOFCSORIU-UHFFFAOYSA-N 433.508 3.564 0 40 IHAB CS(=O)(=O)Nc1cccc(C(=O)OCc2csc(COc3ccc(F)cc3)n2)c1 14672026 ZQHKWQMLCWJBDD-UHFFFAOYSA-N 436.486 3.590 0 40 IHAB O=C(NC1CCCCC1)[C@@H](c1cccnc1)N(C(=O)c1csnn1)c1ccc(F)cc1 15935678 WGQJGRDKXJZJLJ-HXUWFJFHSA-N 439.516 3.909 0 40 IHAB Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@H]1CCCN(C(=O)Cc3ccc(N(C)C)cc3)C1)N2 19128031 QSCQZWHMNFHKCD-YSIASYRMSA-N 431.531 3.729 0 40 IHAB Cc1ccnn1CCC(=O)N1CCC[C@@](Cc2ccc(-c3ccccc3)cc2)(C(N)=O)C1 19238420 UNKVFVANAUNJIJ-SANMLTNESA-N 430.552 3.585 0 40 IHAB CCCN1CCN(C(=O)c2ccnn2C)C[C@H](Cc2cccc(-c3cccs3)c2)C1=O 19503095 STTCYVSFHWJJAL-FQEVSTJZSA-N 436.581 3.702 0 40 IHAB COc1ccc(OC)c(C(=O)N2CCCC[C@@H]2c2nc(-c3ccsc3)cc(=O)[nH]2)c1 19551060 ISMBSMWBKQHXDQ-GOSISDBHSA-N 425.510 3.883 0 40 IHAB C[C@H](Cc1ccccc1Cl)C(=O)N1CCC(c2ccc(C(=O)N(C)C)c(N)n2)CC1 19765766 ILLGBKUJFBLEOQ-OAHLLOKOSA-N 428.964 3.604 0 40 IHAB Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)c(C)c1 19931286 ZGXFZXKBUFMBPN-JOCHJYFZSA-N 428.598 3.950 0 40 IHAB Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)Nc1cc(F)ccc1F 20021938 MZVZVYUVWNVDBB-UHFFFAOYSA-N 446.475 3.769 0 40 IHAB CC(C)Cc1nc2oc3c(NCCN4CCOCC4)ncnc3c2c2c1COC(C)(C)C2 20518012 HVEZAIORZWOELP-UHFFFAOYSA-N 439.560 3.565 0 40 IHAB O=S(=O)(NCC1(N2CCOCC2)CCCCC1)c1ccc(Cl)cc1C(F)(F)F 22069678 NSCVXRBBBLTANC-UHFFFAOYSA-N 440.915 3.672 0 40 IHAB COc1ccc2oc(C(=O)O[C@@H](C)C(=O)Nc3ccc(N4CCOCC4)cc3)c(C)c2c1 23079643 VNTLPNSQORPHNU-INIZCTEOSA-N 438.480 3.770 0 40 IHAB O=C(COc1cccc(-n2cnnn2)c1)N1c2ccccc2SC[C@@H]1c1ccccc1 25046782 FZKLDBSOCHZVGQ-OAQYLSRUSA-N 429.505 3.921 0 40 IHAB C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl 25339557 SCMZQHMXWPXBIX-GFCCVEGCSA-N 438.837 3.797 0 40 IHAB COC(=O)c1c(NC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)sc2c1CCC2 27793593 QHMMFUDPNMVMHW-UHFFFAOYSA-N 426.450 3.702 0 40 IHAB C[C@@H](CCc1ccccc1)NC(=O)CCNS(=O)(=O)c1ccccc1C(F)(F)F 28198415 HNHRUPKYEVPADF-HNNXBMFYSA-N 428.476 3.511 0 40 IHAB CC(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)c2ccccc2)cc1 28206639 RHFQTYXSJRCEEU-UHFFFAOYSA-N 435.505 3.649 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 29490617 UYHCQBSAQZHXMF-PKNBQFBNSA-N 444.535 3.575 0 40 IHAB COCCn1c(SCC(=O)N2CCN([C@H](C)c3ccccc3)CC2)nc2ccccc21 29599842 GKAPKZLDDHLXGC-LJQANCHMSA-N 438.597 3.680 0 40 IHAB O=C(NCc1ccco1)[C@@H]1CCCN1CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 31557917 JQCDEXZFPUPCCW-QHCPKHFHSA-N 441.547 3.861 0 40 IHAB CN1CCC2(CC1)C[C@@H](NS(=O)(=O)c1ccccc1C(F)(F)F)c1ccccc1O2 31583802 AWXQVUPFELIPBB-QGZVFWFLSA-N 440.487 3.972 0 40 IHAB COC(=O)CNC(=O)c1cccc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)c1 32933106 PLTRZHAKHBSCQZ-UHFFFAOYSA-N 448.504 3.551 0 40 IHAB CC1CCN([C@H](CNC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)c2cccs2)CC1 32983108 QGJGWMBKOWUFSR-HXUWFJFHSA-N 436.581 3.607 0 40 IHAB O=C(CNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1)Nc1cccc(Cl)c1Cl 34719935 JLCMMIBOQMDRSV-UHFFFAOYSA-N 434.201 3.706 0 40 IHAB O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@H](c2nnc(COc3ccccc3)o2)C1 35596948 NBRILHLUTVGMLK-HNNXBMFYSA-N 433.917 3.870 0 40 IHAB CCOC(=O)c1c(NC(=O)Cc2csc(-c3cccs3)n2)sc(C(=O)NC)c1C 36392232 BIBJYQHIPCFJFW-UHFFFAOYSA-N 449.579 3.959 0 40 IHAB CCCCn1nc(C)c(/C=C/C(=O)Oc2ccc(C)cc2S(=O)(=O)N(C)C)c1Cl 40155069 IPWBTDIAQSOSOK-PKNBQFBNSA-N 439.965 3.823 0 40 IHAB Cn1c(Sc2ccc(Sc3nnc(-c4ccco4)n3C)nn2)nnc1-c1ccco1 40546064 AFLIALLVJDUUTG-UHFFFAOYSA-N 438.498 3.556 0 40 IHAB CCN1CCN(Cc2ccc(CNC(=O)CCOc3ccc(F)c(Cl)c3)cc2)CC1 48301037 DNULRQBWEFDIFH-UHFFFAOYSA-N 433.955 3.702 0 40 IHAB COc1ccc(CCC(=O)NCc2ccccc2CN2C[C@@H](C)O[C@H](C)C2)cc1OC 48325222 ODZYQDZVYZRMBS-RTBURBONSA-N 426.557 3.562 0 40 IHAB CN(C[C@@H]1CCCN(C(=O)NC[C@@H](c2ccco2)N2CCCC2)C1)C(=O)OC(C)(C)C 58080038 PFLAUIRUKZRSSJ-OALUTQOASA-N 434.581 3.705 0 40 IHAB Cc1nc(S(=O)(=O)CC(=O)NCCCCc2ccccc2)n(C2CCCCC2)c1C 58157166 AXKDPJYGRNNUQH-UHFFFAOYSA-N 431.602 3.918 0 40 IHAB COc1cccc(NC(=O)Cn2c(=O)c(N(C(C)=O)C3CCCCC3)nc3ccccc32)c1 64987667 YQGGESUSHZPMTI-UHFFFAOYSA-N 448.523 3.729 0 40 IHAB COc1ccc(-c2cc3c(N4CCC(C(=O)NC5CCCC5)CC4)nccn3n2)cc1OC 67263459 BROKCCUEAANMKE-UHFFFAOYSA-N 449.555 3.689 0 40 IHAB COc1cccc(C(=O)C[C@]2(O)C(=O)N(CCOc3ccccc3OC)c3ccccc32)c1 68713434 SVJGPJRWGLKUER-AREMUKBSSA-N 447.487 3.590 0 40 IHAB O=C1NCCN(C(=O)CCc2cccc(Cl)c2)[C@@H]1Cc1ccccc1-c1cccnc1 72351537 OSYHYNUFWQMLNN-HSZRJFAPSA-N 433.939 3.904 0 40 IHAB Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC[C@H]3CCN(CC(C)C)C3)c2)c1 84211142 MAIUFDRCDWILQU-HXUWFJFHSA-N 443.613 3.812 0 40 IHAB COc1ccccc1-c1ccc(N2CCC[C@H](C(=O)NCc3sc(C)nc3C)C2)nn1 90593028 JRYRQMMDSZYGTE-KRWDZBQOSA-N 437.569 3.758 0 40 IHAB COc1ccc(Cl)cc1C(=O)N1CCN(c2cc(Nc3ccccn3)nc(C)n2)CC1 90607927 PHOMOKKMEMXSNI-UHFFFAOYSA-N 438.919 3.548 0 40 IHAB O=S(=O)(NCC(O)(c1cccs1)c1cccs1)c1ccc(Br)cc1 90617499 NCGFHOLFYVEQST-UHFFFAOYSA-N 444.397 3.787 0 40 IHAB O=C(c1ccco1)c1ccc(CNS(=O)(=O)c2ccccc2Br)s1 96119823 VCJBKVWKTZBWLR-UHFFFAOYSA-N 426.313 3.813 0 40 IHAB CCN(CC)C(=O)c1cncnc1[C@H]1CC[C@H](CNC(=O)Cc2ccc(F)cc2)CC1 100205729 IKYRQQQLALOLNZ-KDURUIRLSA-N 426.536 3.730 0 40 IHAB O=C1[C@@H]2[C@H](C(=O)N1c1cccc(C(F)(F)F)c1)[C@H](c1ccc(Cl)cc1)N1CCCN21 101203833 YOZPXADXKLIWKS-SQNIBIBYSA-N 435.833 3.894 0 40 IHAB CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc1OC 106758400 WYPAJUGTRRWDAE-JPVKTXQWSA-N 432.542 3.921 0 40 IHAB O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1)Nc1cccc(C(F)(F)F)c1 107883506 OSRQFJUGJDCKJV-GFCCVEGCSA-N 440.805 3.894 0 40 IHAB Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1 116016429 LYQGESIXIXQZEU-LJQANCHMSA-N 430.570 3.675 0 40 IHAB COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)c1 140036251 XCFRLGKBESBDEU-MRXNPFEDSA-N 440.521 3.996 0 40 IHAB COc1ccc(-c2noc(CN(C)C(=O)CSCc3cccc(C)c3)n2)c(OC)c1 222747686 BVEIFBMKMBMZAT-UHFFFAOYSA-N 427.526 3.954 0 40 IHAB CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccccc1 223888128 VMWGBWIBZGHFRP-INIZCTEOSA-N 433.346 3.771 0 40 IHAB S=C(NCC1(c2ccc(Cl)cc2)CCOCC1)Nc1cnc(Br)cn1 224017467 NBOTUZWKNOLDDA-UHFFFAOYSA-N 441.782 3.927 0 40 IHAB CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(OC)c(OC)c1 224260163 LTKIPXPBRMTSLG-OAQYLSRUSA-N 426.557 3.888 0 40 IHAB Cc1ccc(C)c([C@@H](C)NS(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)c1 224293824 DDCQRNXLONZHOA-OAHLLOKOSA-N 430.555 3.755 0 40 IHAB COc1ccc(OC[C@H](C)NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2C)cc1 224531158 VHCVSHFGNLTWHM-JYBCESJWSA-N 434.492 3.951 0 40 IHAB COc1ccccc1OCC(=O)N(Cc1cccc(Cl)c1)[C@@H](C)C(=O)NCC(C)C 225658089 PKQUDSGYEPRIKV-KRWDZBQOSA-N 432.948 3.917 0 40 IHAB CCCn1c(=O)sc2cc(S(=O)(=O)N[C@@H](C)c3cc(OC)ccc3OC)ccc21 225737023 KZZFNDKSPMZVMQ-ZDUSSCGKSA-N 436.555 3.530 0 40 IHAB Cc1cccc(OC2CCN(C(=O)c3cnc(OC4CCOCC4)c(Cl)c3)CC2)n1 238870662 MUYJOEVFPUXWQN-UHFFFAOYSA-N 431.920 3.680 0 40 IHAB C[C@]12C[C@@H](c3ccccc3)C[C@](CCO)(CC[C@@H](NC(=O)c3ccc(F)cc3F)[C@@H]1O)O2 257250153 JLGRGBIKNZIQFV-KPJFKLOUSA-N 445.506 3.692 0 40 IHAB Cc1cc(Cc2ccccc2F)cc([C@@H]2CN(C(=O)c3cc(C)nc4ccnn34)CCO2)n1 257258922 KWCGOVAZKGOQJB-QHCPKHFHSA-N 445.498 3.685 0 40 IHAB O=C(Cn1ncc2ccccc2c1=O)N1CCC[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257290787 QEIKZXDPVRFZDN-LJQANCHMSA-N 446.482 3.521 0 40 IHAB CCN1CCN(Cc2cccnc2NC)C[C@H](Cc2ccccc2-c2cccnc2)C1=O 257319903 VUNWVEAYTFLILE-QHCPKHFHSA-N 429.568 3.708 0 40 IHAB CCOc1ccc(Cc2cccc([C@@H]3CN(C(=O)c4ccnc(NC)c4)CCO3)n2)cc1 257333561 YCBYAEIFFZQDES-QHCPKHFHSA-N 432.524 3.722 0 40 IHAB CS(=O)(=O)N(CC(=O)N[C@H]1CC2(CCCCC2)Oc2ccccc21)Cc1ccccc1 260838909 FAHQBKRIPYJPHB-NRFANRHFSA-N 442.581 3.791 0 40 IHAB O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)NC1CCCCCCC1 408584297 NXFJTSLKHJHJDD-UHFFFAOYSA-N 430.570 3.773 0 40 IHAB CCc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)c1 408664678 QVCIAXWAOLPVDQ-DODAUVCRSA-N 446.503 3.580 0 40 IHAB CCn1c(CNC(=O)c2ccccc2C)nn(CC(=O)Nc2ccc(C)cc2C)c1=S 409157223 ICBYCUUHHQEMOY-UHFFFAOYSA-N 437.569 3.928 0 40 IHAB Cc1noc(C)c1CN1CC[C@@](C)(O)[C@@H](NC(=O)c2ccc(F)cc2)[C@@H]1c1cccs1 514289270 HAXISUGMVMOTJP-QNWVGRARSA-N 443.544 3.989 0 40 IHAB biogenic,in-vitro COC(=O)c1nc(NC(=O)c2cc(=O)c(OCc3ccccc3)c[nH]2)sc1CC(C)C 524732339 PYWVFAANNMASRN-UHFFFAOYSA-N 441.509 3.648 0 40 IHAB C[C@H](NC(=O)c1ccc(N2CCC(O)CC2)cc1)c1noc(-c2ccc(Cl)cc2)n1 531466067 AQLASLCAZLKFSP-AWEZNQCLSA-N 426.904 3.842 0 40 IHAB O=C(N1CCC(Oc2nccc(C(F)(F)F)n2)CC1)C1(c2ccccc2)CCOCC1 1776009203 VTBRIQOPCFIYGV-UHFFFAOYSA-N 435.446 3.614 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)c1c(Cl)cccc1Cl 815573 BOOVWMVWRSNDEJ-ZDUSSCGKSA-N 429.325 3.703 0 40 IHAB CCC(C)(C)n1nnnc1CN(Cc1cccnc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O 926697 FXMYXWBSKQGWNO-UHFFFAOYSA-N 445.571 3.874 0 40 IHAB Cc1ccccc1-c1nnc(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)o1 1018824 ROWFRCRUUVFPTQ-UHFFFAOYSA-N 435.509 3.574 0 40 IHAB COc1ccc(OC)c(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccc(SC)cc2)c1 2365538 OXYKEZJWTBDEED-FQEVSTJZSA-N 437.525 3.945 0 40 IHAB COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)OCC(=O)c1cccs1 3284577 OIYNPXWWNDAKDJ-UHFFFAOYSA-N 435.457 3.593 0 40 IHAB COc1ccc(CNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2F)cc1 3469610 GCDVUCBWDDTBAT-UHFFFAOYSA-N 449.507 3.942 0 40 IHAB COc1cc(Cl)c(C)cc1-n1c(SCC(=O)NC(C)C)nc2ccccc2c1=O 3489904 LTTIBVQPLYIVEN-UHFFFAOYSA-N 431.945 3.973 0 40 IHAB Cc1ccc2cc(CN(CCN(C)C)C(=S)NCCc3ccccc3)c(=O)[nH]c2c1C 6410183 ONFBDJIOMIBKMO-UHFFFAOYSA-N 436.625 3.626 0 40 IHAB Cc1cc(C(=O)COC(=O)CCN2C(=O)c3ccccc3C2=O)c(C)n1Cc1ccccc1 8667665 LIXWJFBDLYLWGE-UHFFFAOYSA-N 444.487 3.565 0 40 IHAB Cc1c(-c2ccccc2)oc2c(C(=O)NC[C@H](O)COCc3ccco3)cccc2c1=O 8764840 DDRICLUXLZCFSG-SFHVURJKSA-N 433.460 3.669 0 40 IHAB biogenic O=C(CN1C(=O)C(=O)N(CCC2=CCCCC2)C1=O)NC(c1ccccc1)c1ccccc1 8862180 YFYZNOVZFKCWTD-UHFFFAOYSA-N 445.519 3.574 0 40 IHAB O=C(C[C@]1(O)C(=O)N(CCCc2ccccc2)c2ccccc21)c1ccc2c(c1)OCCO2 8922763 YUKPYYKCNPCMLI-HHHXNRCGSA-N 443.499 3.898 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc2c(s1)CCCCC2 9125597 BWIDGGJOVIQGOJ-UHFFFAOYSA-N 434.583 3.599 0 40 IHAB COc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2ccccc2OC)cc1Cl 9238588 CMCAZZGIYRUFJO-ROUUACIJSA-N 445.932 3.655 0 40 IHAB O=C(CCn1c(=O)oc2cc(Cl)ccc21)NCc1ccccc1CN1CCCCC1 9366377 QVEJPACTYGWAAJ-UHFFFAOYSA-N 427.932 3.940 0 40 IHAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)Cn2nnc(-c3ccccc3)n2)cc1 9372977 SCCPSNZAQKQTEK-QHCPKHFHSA-N 438.491 3.727 0 40 IHAB CN(C)c1ccc([C@@H](CNC(=O)CNC(=O)c2cccs2)c2c[nH]c3ccccc23)cc1 9469757 JVHSNHZVVNOINK-HXUWFJFHSA-N 446.576 3.974 0 40 IHAB COc1ccc(Cl)cc1NC(=O)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12 9518875 SHIPBLMWFUTOEJ-UHFFFAOYSA-N 439.899 3.747 0 40 IHAB COc1cc(-n2c(=O)c3ccccc3n(Cc3cc(C)ccc3C)c2=O)cc(OC)c1OC 9616033 ISIVNVPOUWFITI-UHFFFAOYSA-N 446.503 3.843 0 40 IHAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccccc1CCc1ccccc1 9633113 DRFSJDGJTJWERQ-UHFFFAOYSA-N 438.549 3.983 0 40 IHAB Cc1ccsc1CN(C)C(=O)/C=C/c1ccc(S(=O)(=O)NCc2ccco2)cc1 9721438 DJLFXVUKXKEJQY-JXMROGBWSA-N 430.551 3.800 0 40 IHAB CCCc1nnc2c3ccccc3c(-c3ccc(C)c(S(=O)(=O)N4CCCC4)c3)nn12 9942643 HRALGHJJFRYIDA-UHFFFAOYSA-N 435.553 3.990 0 40 IHAB Cc1ccc2nc(COC(=O)CSc3ncnc4c3oc3ccccc34)cc(=O)n2c1 9960022 CMHFSJJCEIVACE-UHFFFAOYSA-N 432.461 3.528 0 40 IHAB Cc1ccc(S(C)(=O)=O)cc1C(=O)O[C@@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 10405205 YVYJYQVLEOLDNY-LBPRGKRZSA-N 429.416 3.601 0 40 IHAB O=C(COC(=O)c1ccc(COc2ccccc2)o1)NC(=O)NCCC1=CCCCC1 10561583 ZRRIGPQHXXJAIF-UHFFFAOYSA-N 426.469 3.732 0 40 IHAB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2ccc(C(C)C)cc2C(C)C)CC1 10664935 UUNXFGMXNQRYJB-UHFFFAOYSA-N 433.574 3.685 0 40 IHAB COCC(=O)Nc1c(S(=O)(=O)c2ccc(OC)cc2)c(C)c(C)n1Cc1ccccc1 12323063 JXMOGQQQVILKQD-UHFFFAOYSA-N 442.537 3.580 0 40 IHAB CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)Nc2ccc(F)c(F)c2F)c1 12549065 WKLNGTIKDCBZSC-UHFFFAOYSA-N 441.475 3.597 0 40 IHAB CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)N[C@@H]2CCSc3ccccc32)cc1 12678464 NXUCDMKCKFKKPC-HXUWFJFHSA-N 446.594 3.643 0 40 IHAB CC[C@H](Oc1ccccc1)C(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 12767343 CQXVAOLRWIZISK-FQEVSTJZSA-N 449.473 3.646 0 40 IHAB O=C(NCc1ccc2c(c1)OCO2)c1cnn2c1N[C@@H](c1ccco1)C[C@H]2C(F)(F)F 12847796 QEUXTBPRMWXTLL-DYVFJYSZSA-N 434.374 3.795 0 40 IHAB COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1 12932706 AINYEKSBDYIROV-BXUGYJKXSA-N 430.570 3.949 0 40 IHAB O=C(O[C@@H](C(=O)N1CCOCC1)c1ccccc1)c1c2c(nc3ccccc13)CCCC2 12981774 YQABTNVFGWEFIX-XMMPIXPASA-N 430.504 3.871 0 40 IHAB Cc1c(Cl)cccc1NC(=O)CNC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O 12995841 JWDQLPBKLDBRSO-MRXNPFEDSA-N 438.336 3.860 0 40 IHAB CCOC(=O)C1=C(COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)NC(=O)N[C@@H]1C 13057679 BQJJTAJGVKEDFX-MRVPVSSYSA-N 426.313 3.622 0 40 IHAB CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)c1cccc(Cl)c1 13113224 CYCSIIOTDKABJQ-UHFFFAOYSA-N 436.917 3.786 0 40 IHAB O=C(c1ccccc1)[C@H]1[C@H]2C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]2[C@H]2CCCN21 13557036 CZLNOORALBDGNW-VYCZESIESA-N 429.303 3.829 0 40 IHAB CCn1c(S[C@@H](C)C(=O)Nc2nc(C)cs2)nnc1[C@H](C)NC(=O)c1ccccc1 13568115 UCKHKQFIDZRMPF-KBPBESRZSA-N 444.586 3.673 0 40 IHAB COc1ccc(OC)c(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCCCC3)c2)c1 13581619 PJQCCVPABNYNAA-UHFFFAOYSA-N 448.541 3.529 0 40 IHAB COc1cc([C@H]2OC[C@@H]3[C@H](c4cc(OC)c(OC)c(OC)c4)OC[C@H]23)cc(OC)c1OC 13660263 HRLFUIXSXUASEX-WWLNLUSPSA-N 446.496 3.813 0 40 IHAB biogenic,in-vitro Cc1c(I)cnn1CCC(=O)NCC12CC3CC(CC(C3)C1)C2 13959119 QGZRYFDFWMJCEC-UHFFFAOYSA-N 427.330 3.519 0 40 IHAB C[C@H]1C(=O)N(CC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)C(=O)N1c1ccccc1 14171088 VQSRDBGXYVSVMU-MAUKXSAKSA-N 448.504 3.876 0 40 IHAB Cc1nc(-c2cccc(Br)c2)ccc1C(=O)Nc1nc(CC(N)=O)cs1 14332438 YYBUNZOQKHTBLT-UHFFFAOYSA-N 431.315 3.556 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCCc3c[nH]c4ccccc34)CC2)c1 14683348 FYTWPQLVBTUHJV-UHFFFAOYSA-N 439.581 3.641 0 40 IHAB Cc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1S(=O)(=O)N1CCOCC1 15411721 QLTKMTOSIBRZTK-UHFFFAOYSA-N 429.325 3.575 0 40 IHAB CC(C)NC(=O)CCCCn1c(=O)c2ccccc2n(Cc2ccccc2Cl)c1=O 16840188 IQGCDIODEFLTEI-UHFFFAOYSA-N 427.932 3.560 0 40 IHAB COc1ccccc1CN(C)C(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 18076485 FCCZPAYFGPBUAO-UHFFFAOYSA-N 428.485 3.907 0 40 IHAB CCCn1c(=O)n(CCC(=O)NCc2ccc(CN3CCCCC3)cc2)c2ccccc21 18233282 JYBOBRVHAPTVRK-UHFFFAOYSA-N 434.584 3.905 0 40 IHAB Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)COc2ccc(F)cc2)cc(N(C)C)n1 19240861 KFOFOVOCECCLTQ-JOCHJYFZSA-N 447.514 3.950 0 40 IHAB Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@@H]2CCCN(C(=O)c3cccc(F)c3)C2)n1 19290150 YJOHACOHCHQXIG-GOSISDBHSA-N 434.519 3.636 0 40 IHAB CCn1cc(S(=O)(=O)N2CCCCC[C@H]2c2cc(-c3ccc(OC)cc3)on2)cn1 19525074 VUQOODQECMDRJM-FQEVSTJZSA-N 430.530 3.873 0 40 IHAB Cc1ncsc1C(=O)N1CCC[C@H](c2nc(C)c3c(n2)N(Cc2ccccn2)CCC3)C1 19752575 VOIMOFOQCMRCKJ-SFHVURJKSA-N 448.596 3.918 0 40 IHAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2cnc3ccccc3n2)cc1 21900659 JKFDDDXIFONNFC-UHFFFAOYSA-N 432.505 3.703 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](C)c3ccc(F)cc3)C2)cc1C 22536478 JLKULNPEHQPYBX-PKOBYXMFSA-N 448.560 3.811 0 40 IHAB CCCCNS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1 22537034 UHMUJLGLHVGAFS-LJQANCHMSA-N 432.586 3.946 0 40 IHAB COc1ccc([C@H](c2sc3ncnn3c2O)N2CCN(c3ccc(F)cc3)CC2)cc1 22609476 AZMDVZLRYJLCCF-LJQANCHMSA-N 439.516 3.556 0 40 IHAB CCn1c(SCC(=O)Nc2ccc(OC)c(OC)c2)nc2c([nH]c3ccccc32)c1=O 22627935 FIYJYJXLWXDSKT-UHFFFAOYSA-N 438.509 3.646 0 40 IHAB CCNC(=O)N[C@H]1CC[C@]2(C)CC[C@@H]([C@H](C)C(=O)NCc3cccs3)[C@H](O)[C@H]2[C@@H]1C 30884173 LZQHVUJJOZYPFY-ORZDUAMFSA-N 435.634 3.511 0 40 IHAB biogenic,in-vitro Cc1noc(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1 32768565 ZVPBXZWXPOKJTB-GDBMZVCRSA-N 427.526 3.503 0 40 IHAB COC(=O)CN1C(=O)N/C(=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)C1=O 35198415 ATMKDEXMRQDPIL-LPYMAVHISA-N 439.471 3.909 0 40 IHAB O=C1CSc2sc3c(=O)n(C[C@H](c4ccc(Cl)cc4)N4CCCC4)cnc3c2N1 35671685 JBVLSAIMNBYMSH-CQSZACIVSA-N 446.985 3.993 0 40 IHAB Cn1cc(C(=O)N2CCCCCC2)c(O)c1-c1nc2cc(NC(=O)C3CC3)ccc2n1C 36365267 MMSITDPZYDMOGH-UHFFFAOYSA-N 435.528 3.649 0 40 IHAB O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1cccs1)c1nc2ccccc2s1 38561553 UEJCZMSMMUSACD-AWEZNQCLSA-N 435.596 3.721 0 40 IHAB O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)C1CCN(Cc2ccccc2F)CC1 39755359 UYLAGBMFQPCBNL-HXUWFJFHSA-N 439.531 3.585 0 40 IHAB CCN1CC(Oc2ccccc2)=NC(SCC(=O)Nc2ccc3c(c2)OCCCO3)=N1 57399972 HAHODNMTNPDKGG-UHFFFAOYSA-N 440.525 3.604 0 40 IHAB COCCC(=O)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc(OC)c(C)c2C)C1 57774141 VZBYVNVCVOECGM-BWKNWUBXSA-N 425.573 3.813 0 40 IHAB C[C@H]1CN(Cc2ccc(CNC(=O)CC[C@@H]3Cc4ccccc4NC3=O)cc2)C[C@@H](C)O1 58082809 FLDPUDIBDQLUPU-SELNLUPBSA-N 435.568 3.503 0 40 IHAB Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)Cc3ccc4ccccc4c3)C2)cc1 58305056 SFIYJJSTJIRSRV-OAQYLSRUSA-N 436.577 3.908 0 40 IHAB COc1cccc(-c2nc(Cn3ccn4nc(-c5ccc(C)cc5C)cc4c3=O)no2)c1 65235780 HHURVTGCWMPLSM-UHFFFAOYSA-N 427.464 3.887 0 40 IHAB O=S(=O)(Nc1cc(F)ccc1O)c1cc(Br)ccc1Br 70332930 DQIYILQNLPWIFA-UHFFFAOYSA-N 425.073 3.857 0 40 IHAB O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)N1CCN(C(=O)c2cccc(O)c2)CC1 72308318 LWJSSJPFUHCFMP-QHCPKHFHSA-N 433.483 3.669 0 40 IHAB Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N(C)[C@H]1CCC[C@@H]1S(C)(=O)=O 78879486 HPMBFDPHFLZFPM-HOTGVXAUSA-N 442.990 3.722 0 40 IHAB Cc1cc(I)ccc1NC(=O)COC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 102148413 FOFJSDDGHNRDON-MELADBBJSA-N 427.282 3.908 0 40 IHAB CCOc1ccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)C(=O)c2ccccc2)cc1 102548684 JAYOWXMHJKMQHD-ISGSKPSGSA-N 442.515 3.743 0 40 IHAB C[C@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)N(c1cccc(F)c1)S(C)(=O)=O 220485146 VJSAXELHNCDGNY-MRXNPFEDSA-N 440.496 3.850 0 40 IHAB CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CCCO1 223198651 CHJDQMGHJLXICT-GOTSBHOMSA-N 426.532 3.861 0 40 IHAB COc1ccc(NC(=O)c2ccc(CN(C)S(=O)(=O)c3ccccc3)cc2)cc1OC 224406545 QQFKMLLOHYUXSK-UHFFFAOYSA-N 440.521 3.777 0 40 IHAB COc1cccc(CN(C(=O)COc2ccc(C)cc2C)[C@@H](C)C(=O)NCC(C)C)c1 224452376 RNTRMPSOKPTVNM-FQEVSTJZSA-N 426.557 3.880 0 40 IHAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)COc2ccc(F)cc2)cc1 224572543 HQGNRHLDGCQJSJ-UHFFFAOYSA-N 444.484 3.961 0 40 IHAB Cc1ccc(N(CCCC(=O)NCCc2ccc(F)cc2)S(C)(=O)=O)cc1Cl 224777569 JAEVXDIDLFIHQD-UHFFFAOYSA-N 426.941 3.693 0 40 IHAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1cc(OC)cc(OC)c1 224837770 KAQRFQRFFXKFDM-INIZCTEOSA-N 448.947 3.680 0 40 IHAB COC(=O)c1cc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)ccc1Cl 225709367 CZKNBBZCLXHJSV-UHFFFAOYSA-N 440.930 3.885 0 40 IHAB S=C(NCc1nc(-c2cccc(Br)c2)no1)Nc1ccc2c(c1)OCCO2 225825717 FHUVHYPFSGVFNO-UHFFFAOYSA-N 447.314 3.757 0 40 IHAB CC1CCN(c2cc(N3CCOCC3)nc(NC(=S)N[C@H](C)c3ccccc3)n2)CC1 225959743 SZUCYFULCVNAOI-GOSISDBHSA-N 440.617 3.597 0 40 IHAB CCn1cc(CN2CCO[C@@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)[nH]n3)C2)cn1 257223508 DXQJYAPKIBQHIP-OAQYLSRUSA-N 449.477 3.840 0 40 IHAB O=C(O)c1cc(Cl)ccc1OCC(=O)N(CCCn1ccnc1)Cc1ccccc1F 257247079 IXIFMWVHOINZIM-UHFFFAOYSA-N 445.878 3.872 0 40 IHAB NC(=O)C[C@]1(COc2ccccc2)CCCN(C(=O)Cc2ccccc2Br)C1 257283757 OZTSIRYSPKKFLJ-JOCHJYFZSA-N 445.357 3.555 0 40 IHAB O=C(O)CCN(CCc1ccccc1)C(=O)c1cccc(-n2nc(C(F)(F)F)cc2O)c1 257284342 PCHDCVUWWTXMOA-UHFFFAOYSA-N 447.413 3.756 0 40 IHAB COc1ccc(C2(C(=O)N3CCOC[C@@H](Cc4cn5ccnc5cn4)C3)CCCCC2)cc1 257303234 SGHKRPXCLXOGST-FQEVSTJZSA-N 448.567 3.658 0 40 IHAB CCN1CCN(Cc2ccc(NC(C)=O)cc2)[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O 257309918 UCXISCAFNHPFKM-SANMLTNESA-N 442.563 3.982 0 40 IHAB Cc1cc(C(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(=O)N(C)Cc3ccccc3)C2)on1 257311151 UIFBEWNTPSRJIH-GMAHTHKFSA-N 447.535 3.941 0 40 IHAB CCN(CC)C(=O)Cc1c(C)nc([C@H]2CCCN(C(=O)c3cccc(OC)c3)C2)nc1C 257316164 VEKNOLMQGOUFPR-FQEVSTJZSA-N 438.572 3.533 0 40 IHAB COc1cccc(Nc2cc(C)nc([C@H]3CCCN(S(=O)(=O)N4CCCC4)C3)c2)c1 257344185 ZWCIYPLQUSPOHA-SFHVURJKSA-N 430.574 3.662 0 40 IHAB Cc1cc(C)cc(N([C@@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)c1 260455422 OXMATSXYXAFABE-PXNSSMCTSA-N 430.570 3.877 0 40 IHAB Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)c2)cc1C 408653323 FEWCUTYWDMKTCC-OYRHEFFESA-N 434.492 3.779 0 40 IHAB O=C(NCCCCc1ccccc1)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 408708030 FXXYNDVVBNTYHT-UHFFFAOYSA-N 429.520 3.694 0 40 IHAB CCCNC(=O)CN1C(=O)S/C(=C\c2ccc(OCc3ccccc3)c(OC)c2)C1=O 409213991 WDQNNERCBBOZJI-MOSHPQCFSA-N 440.521 3.837 0 40 IHAB Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 508516518 XXZBRHKWOUCGOG-QHCPKHFHSA-N 426.524 3.840 0 40 IHAB O=C(Nc1nc(CC(=O)N(Cc2ccccc2)Cc2cc[nH]n2)cs1)c1cccc(O)c1 530609901 MIRUWJCSFUTLDT-UHFFFAOYSA-N 447.520 3.596 0 40 IHAB C[C@@]1(c2cccc(-c3noc(-c4ccc5[nH]c6c(c5c4)CCCC6)n3)c2)NC(=O)NC1=O 547210072 VNSOXRRPVUCRHO-DEOSSOPVSA-N 427.464 3.818 0 40 IHAB CC(=O)N1CCc2ccc(S(=O)(=O)N3C[C@H](C(C)(C)C)c4ccccc43)cc2CC1 556350008 RHTBLEYUQLXQGY-QFIPXVFZSA-N 426.582 3.972 0 40 IHAB Cc1cc(I)ccc1NC(=O)[C@H]1CCCN1C(=O)c1cccs1 858125 ZCGUGXGAEZZVHG-CQSZACIVSA-N 440.306 3.904 0 40 IHAB CCOC(=O)c1c(NC(=O)CNCCc2ccccc2)sc2c1CC(C)(C)NC2(C)C 3440621 VDHHNVOUFHFGDZ-UHFFFAOYSA-N 443.613 3.855 0 40 IHAB COc1ccc(OC)c([C@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)NC2CCCCC2)c1 5217530 KPUTUTOASGKPLY-ZODMCCGTSA-N 430.589 3.821 0 40 IHAB Cc1cc(C)c(S(=O)(=O)N(CCCO)Cc2cc3c(C)ccc(C)c3[nH]c2=O)c(C)c1 6321763 PAVDEFJFSZITLQ-UHFFFAOYSA-N 442.581 3.644 0 40 IHAB COc1c(Br)cc(Br)cc1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 8832382 ZIXBAMLZRKHQIB-UHFFFAOYSA-N 441.079 3.642 0 40 IHAB CCOC(=O)Cn1c([C@@H]2CC(=O)N(c3ccccc3Br)C2)nc2ccccc21 8871485 HMHNTVUUWKPGQU-CQSZACIVSA-N 442.313 3.882 0 40 IHAB Cc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)NC4CCCCCCC4)CC3)CC2=O)cc1 9191092 HEFAOIATTHDJKN-NRFANRHFSA-N 439.600 3.816 0 40 IHAB COc1ccc(CCCc2nnc(SCC(=O)Nc3nc(C)c(C)s3)n2C)cc1 9302469 OIUBAPWGGOPLHT-UHFFFAOYSA-N 431.587 3.803 0 40 IHAB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3ccccc3n2C)cc1 9354804 SVROPWCZENVCJG-FCQUAONHSA-N 437.546 3.806 0 40 IHAB Cc1cccc(OCC(=O)Nc2ccc3c(c2)nc(CCNC(=O)c2ccccc2)n3C)c1 9409997 QFGJWZGVICUNHS-UHFFFAOYSA-N 442.519 3.872 0 40 IHAB COc1ccccc1NC(=O)c1cc(S(=O)(=O)NCc2ccc(C)cc2)ccc1F 9439456 DCXMRMXTMIOWAD-UHFFFAOYSA-N 428.485 3.874 0 40 IHAB Cc1ccc(C(=O)[C@H]2[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@@H]3[C@H]3CCCN32)cc1 9449527 OCUFAWVLMNSZOB-UAFMIMERSA-N 442.437 3.849 0 40 IHAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCc3sccc3[C@@H]2c2ccccc2)cc1 9478001 KQPAHPWCYMCQGF-NRFANRHFSA-N 426.563 3.786 0 40 IHAB O=C(Nc1nc(-c2cccs2)cs1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 9587109 QOMCMBLVBVNGOM-LBPRGKRZSA-N 427.507 3.634 0 40 IHAB Cc1noc(C)c1COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 9588007 UYWRYRPOCXSCHZ-FMIVXFBMSA-N 438.505 3.799 0 40 IHAB COc1ccc(-n2c(C)nnc2SCC(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)cc1 9596685 LZEBXKPHJCFWNA-INIZCTEOSA-N 448.552 3.740 0 40 IHAB O=C(Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O)N[C@H]1CCOc2ccccc21 9723150 NQRISBIZMDQTDQ-SFHVURJKSA-N 435.480 3.904 0 40 IHAB O=C(CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1)NC[C@@H]1CCCO1 9795113 IXVXWTVRBAYVNC-IBGZPJMESA-N 442.972 3.899 0 40 IHAB O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)[C@H]1COc2ccc(Cl)cc2C1 9872169 PXNXQKOZQLGZPV-CQSZACIVSA-N 429.929 3.976 0 40 IHAB CC(=O)C[C@@]1(O)C(=O)N(CCCOc2ccccc2C)c2ccc(Br)cc21 9872961 AJZMBNJGJFXXBD-NRFANRHFSA-N 432.314 3.740 0 40 IHAB COc1ccc(N(CCCC(=O)N2CCCc3ccccc32)S(C)(=O)=O)cc1Cl 10449618 IUNUBQPZCDFUKB-UHFFFAOYSA-N 436.961 3.874 0 40 IHAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)N3c4ccccc4C[C@@H]3C)Oc3ccccc32)cc1 10449888 SQSBMZHSIOLXTL-MHECFPHRSA-N 448.544 3.929 0 40 IHAB O=C(CS(=O)(=O)Cc1ccccc1)N(C[C@@H]1CCCO1)c1nc2c(F)cccc2s1 10620149 KFPLKAFGWGPVFJ-INIZCTEOSA-N 448.541 3.562 0 40 IHAB COc1ccc([C@@H]2CCCN2C(=O)C2CCN(C(=O)c3cccs3)CC2)c(OC)c1 11337013 YMMXZYFAPDKMSA-IBGZPJMESA-N 428.554 3.981 0 40 IHAB Cn1nc(C(F)(F)F)cc1[C@H]1CCCCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 12159898 HYUNELFCIYIWGE-CQSZACIVSA-N 445.463 3.516 0 40 IHAB O=C1C[C@@H](N2CCCCCC2)C(=O)N1c1ccc(Br)cc1Br 12428440 ZHPGGIULGQUZHD-CQSZACIVSA-N 430.140 3.720 0 40 IHAB O=c1c2c3c(sc2nc(SCCN2CCOCC2)n1Cc1ccccc1)CCCC3 12804978 LZVSFBFBDPTSAE-UHFFFAOYSA-N 441.622 3.809 0 40 IHAB Cc1cccc(NC(=O)CN2C(=O)C(C)(C)Oc3ccc(C(=O)NC(C)(C)C)cc32)c1C 12875171 WAJWXTNQULWDOY-UHFFFAOYSA-N 437.540 3.974 0 40 IHAB COc1ccc2cc(CN(C)C(=O)CSc3nc4sccc4c(=O)[nH]3)ccc2c1 12882035 GOZZLJSSCCEDHM-UHFFFAOYSA-N 425.535 3.897 0 40 IHAB Cc1ccc(N(CC(=O)NC2CCCCC2)C(=O)CCC(=O)Nc2nc(C)cs2)cc1 13509604 VIQHCLDWTOGVBQ-UHFFFAOYSA-N 442.585 3.961 0 40 IHAB Cc1cc(Cl)ccc1OCC(=O)Nc1nc2nc(C)c(Cc3ccccc3)c(O)n2n1 13592093 BZYMOYWRHFQIJE-UHFFFAOYSA-N 437.887 3.708 0 40 IHAB CCc1c(C)nn(-c2nc3ccccc3[nH]2)c1OC(=O)c1cc(OC)c(OC)c(OC)c1 13611072 YDEJKHHBULXPSS-UHFFFAOYSA-N 436.468 3.864 0 40 IHAB Cc1nnc(SCc2cc(=O)[nH]c(NC(=N)Nc3ccccc3C(F)(F)F)n2)s1 13634118 YTSLMSFEXCHPLS-UHFFFAOYSA-N 441.464 3.700 0 40 IHAB COc1ccc2nc(-c3cccc(NC(=O)[C@@H](C)Oc4ccc5c(c4)OCO5)c3)cn2n1 13709798 HDVLKHMYKWHKPM-CQSZACIVSA-N 432.436 3.540 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 13716166 VDIOEEIFMRRHSD-FQEVSTJZSA-N 432.542 3.663 0 40 IHAB Cc1ccc(-n2nnnc2-c2cnc(N3[C@@H](C)COC[C@@H]3C)nc2-c2cccs2)cc1 16311653 QRGFGBXLXHHYNY-HOTGVXAUSA-N 433.541 3.770 0 40 IHAB Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NCCc4c[nH]cn4)cc3n2)cc1C 17095754 CONRTKCKTDOCJN-UHFFFAOYSA-N 428.418 3.728 0 40 IHAB COc1c(F)c(F)c(C(=O)Nc2ccc(N3CCN(C)CC3)c(Cl)c2)c(F)c1F 17097708 AGBNTIMFVWEYQV-UHFFFAOYSA-N 431.817 3.909 0 40 IHAB CC(=O)NC1(c2ccccc2F)CCN(Cc2cn(CCN(C)C)c3ccccc23)CC1 19021169 ITGFKRYABVMYQM-UHFFFAOYSA-N 436.575 3.969 0 40 IHAB COc1ccc([C@@H]2[C@@H]3C(=O)N(c4c(Cl)cccc4Cl)C(=O)[C@H]3N3CCCN23)cc1 19171287 QHWCEOJNUJKGCS-SCTDSRPQSA-N 432.307 3.538 0 40 IHAB CCNC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)Cc2ccccn2)C1 19528922 YUCZSPKGDSDPIB-RUZDIDTESA-N 433.577 3.950 0 40 IHAB CCNC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)Cc2cccnc2)C1 19528935 WNMHAJUFVWZIOE-VWLOTQADSA-N 433.577 3.950 0 40 IHAB Cc1noc(C)c1C(=O)N1CCC[C@](Cc2ccccc2-c2cccnc2)(C(=O)N(C)C)C1 19579895 HMNJZCMXLBIINY-AREMUKBSSA-N 446.551 3.907 0 40 IHAB Cc1ncoc1C(=O)N1CCC(Cc2cccc(-c3cccnc3)c2)(C(=O)N(C)C)CC1 19700327 MGTNZKOQISAADB-UHFFFAOYSA-N 432.524 3.598 0 40 IHAB COc1ccc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)c(OC)c2)cc1OC 20153468 RDYVKBWKRNKGHH-UHFFFAOYSA-N 442.493 3.592 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)Nc1cc(F)ccc1C 22249151 CMGZMBCVTSKEMY-UHFFFAOYSA-N 428.913 3.836 0 40 IHAB Cc1cc(C)cc(N(CC(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)S(C)(=O)=O)c1 22329332 MCRJPWUCONRSLK-FQEVSTJZSA-N 430.570 3.796 0 40 IHAB Cc1cc(C)cc(N(CC(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)S(C)(=O)=O)c1 22329338 AELQMPOQFRGXHK-HXUWFJFHSA-N 430.570 3.796 0 40 IHAB Cc1ccc2c(c1)[C@H](NC(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O)CC(C)(C)O2 22329675 XNIOLBPGMIUOOT-HXUWFJFHSA-N 430.570 3.796 0 40 IHAB O=C(NCC1(N2CCOCC2)CCCCC1)c1ccc(OCc2cn3ccccc3n2)cc1 23538194 SIEOKXRGQXHVKE-UHFFFAOYSA-N 448.567 3.678 0 40 IHAB Cc1ccccc1CN1CCN(C(=O)CSc2nnc(-c3ccc(F)cc3)o2)CC1 24761145 RWKXAFIOKMSLGV-UHFFFAOYSA-N 426.517 3.621 0 40 IHAB O=C(Nc1ccc(OC(F)(F)F)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1 27639552 TZDPVIZDUKKSIN-UHFFFAOYSA-N 428.432 3.625 0 40 IHAB O=C(COc1ccccc1F)N(Cc1ccc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 27743780 PYXCSQCVOWYWKP-OAHLLOKOSA-N 446.327 3.727 0 40 IHAB CN1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)[C@H](c2ccccc2)C1 30029439 DQCIAJMUWTZFEC-QHCPKHFHSA-N 435.549 3.616 0 40 IHAB COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1OC 30860385 CSKVTVCOAVQIEL-WUXMJOGZSA-N 439.493 3.552 0 40 IHAB Cc1ccccc1NC(=O)C[C@@]12CSc3[nH]c(=O)sc3[C@@H]1c1ccccc1OC2=O 32594563 HQSKUCXEUMWHEF-HTAPYJJXSA-N 438.530 3.917 0 40 IHAB COc1ccc(CNC(=O)[C@H](C)Sc2nnc3ccc(C(F)(F)F)cn23)cc1OC 32899846 HFQOHWCFCRSFHA-NSHDSACASA-N 440.447 3.562 0 40 IHAB C[C@H](CCN1CCN(c2ccccc2)CC1)NS(=O)(=O)c1ccc(C(F)(F)F)cc1 32916438 BZLXSZHACGLEBH-QGZVFWFLSA-N 441.519 3.585 0 40 IHAB CCN(CC(=O)NC(c1ccccc1)c1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 33377946 ZSZREHAKXWTLGT-UHFFFAOYSA-N 426.520 3.651 0 40 IHAB O=C1CCCN1c1ccc(Cn2cc(-c3nc(-c4cccc(F)c4)no3)ccc2=O)cc1 49007471 NLIOMDSIWVWJJT-UHFFFAOYSA-N 430.439 3.880 0 40 IHAB Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc4c(c3)CCC4)c2=O)c1C 67218550 DQIVOPUEISNEST-UHFFFAOYSA-N 445.544 3.958 0 40 IHAB Cc1ccc(C)c([C@@H]2NC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C3=C2C(=O)OC3)c1 67288671 PNNAQZWURQYAMR-QHCPKHFHSA-N 433.508 3.943 0 40 IHAB Cc1ccc2c(c1)C(=O)C[C@H](C1CCN(C(=O)c3cc(-c4cn(C)nc4C)on3)CC1)O2 72336685 ADZRETIJRCNPSL-JOCHJYFZSA-N 434.496 3.578 0 40 IHAB CNc1ncccc1CN1CCC(c2nnc([C@@H]3CCCCN3C(=O)C(C)C)o2)CC1 72344928 ZFAAARZCNUQEJD-IBGZPJMESA-N 426.565 3.596 0 40 IHAB CCCn1cc(S(=O)(=O)N2CCC[C@@H]2c2ccc(Nc3ccccn3)cn2)c(C)n1 72353212 LXGGUPYYLBFNBP-LJQANCHMSA-N 426.546 3.661 0 40 IHAB Cc1nc([C@H]2CCCN2C(=O)c2cnccn2)nc2c1CCCN2CCc1ccccc1 72373769 BQGKRJRLLPVPKD-JOCHJYFZSA-N 428.540 3.548 0 40 IHAB CN(C)c1ncc(-c2cccc(Cl)c2)c([C@H]2CCCN(CC(=O)N3CCCC3)C2)n1 72376650 FYLRUSQOLGPRIM-SFHVURJKSA-N 427.980 3.665 0 40 IHAB COc1cc(C(=O)NCCn2ccc3cc(Br)ccc32)cc(OC)c1OC 72400570 BYMPRCSWHJGBNJ-UHFFFAOYSA-N 433.302 3.860 0 40 IHAB C[C@H]1CCN(Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)c2cc(Cl)ccc2S1 79019944 QJETUKQJQPELJO-ZDUSSCGKSA-N 449.989 3.610 0 40 IHAB COc1ccc(CCC(=O)Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)cc1 89442171 NEJRNEUTQFFHGI-UHFFFAOYSA-N 446.569 3.840 0 40 IHAB CCOc1ccc(-c2noc(Cn3ccn4nc(-c5cccs5)cc4c3=O)n2)cc1OC 96322272 NUVOUYVSINQTIR-UHFFFAOYSA-N 449.492 3.730 0 40 IHAB COc1ccc(C)cc1N(CC(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2)S(=O)(=O)c1ccccc1 100604006 WIBSZVQHOOVFMP-GGPKGHCWSA-N 428.554 3.504 0 40 IHAB COc1ccc([C@H]2[C@H]3C(=O)N(c4c(Cl)cccc4Cl)C(=O)[C@H]3N3CCCN23)cc1 100771328 QHWCEOJNUJKGCS-AOIWGVFYSA-N 432.307 3.538 0 40 IHAB COc1cccc(CNC(=O)CN2C(=O)CC(c3ccccc3)=Nc3ccccc32)c1OC 101354190 USAFPXMQZGSGQG-UHFFFAOYSA-N 443.503 3.878 0 40 IHAB C[C@@H]1[C@@H](NC(=O)COC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)CCC[C@H]1C 102216519 KCOWZJVWDSEXQU-WWMYMODYSA-N 444.553 3.585 0 40 IHAB COc1ccc([C@@H]2[C@H]3C(=O)N(c4c(Cl)cccc4Cl)C(=O)[C@@H]3N3CCCN23)cc1 102682129 QHWCEOJNUJKGCS-ZHALLVOQSA-N 432.307 3.538 0 40 IHAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCCOC2CCCCC2)cc1 223059716 JFKNKHRTAKNGNH-XLNRJJMWSA-N 426.513 3.915 0 40 IHAB CCCN1C(C)=NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc(OC)c(OC)c3)ccc21 223114911 ZEQSCSCEROYKDN-CQSZACIVSA-N 445.541 3.532 0 40 IHAB CN(C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(N(C)C)cc1 223235782 PAKKEZXUFGMHDG-BJKOFHAPSA-N 448.640 3.863 0 40 IHAB COc1ccc(CN(C(=O)C(C)C)[C@@H](Cc2ccccc2)C(=O)NC[C@H]2CCCO2)cc1 223273376 DLOUSXPBYRONAL-RPWUZVMVSA-N 438.568 3.586 0 40 IHAB CCOC(=O)c1ccc(NC(=S)NCc2ccccc2CN2CCOCC2)cc1Cl 225778633 IDRCZYTWGHKSHX-UHFFFAOYSA-N 447.988 3.836 0 40 IHAB CCCOc1ccc(C=c2sc3nc(-c4ccccc4Br)nn3c2=O)cc1 254751758 NGQIWOQSIPCXNH-UHFFFAOYSA-N 442.338 3.917 0 40 IHAB CO[C@@H]1CCC[C@@H](C(=O)N2CCC[C@H]([C@@H]3C[C@H](C(F)(F)F)n4nc(C)cc4N3)C2)C1 257239942 HRLKIRRGBAJMAK-MDMSPXHWSA-N 428.499 3.923 0 40 IHAB COc1ccc(N([C@H](C)C(=O)N[C@H](C)c2cc(C)c(C)cc2C)S(C)(=O)=O)cc1OC 260939095 QEUCEDCMAGSMSN-QZTJIDSGSA-N 448.585 3.661 0 40 IHAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccc(Cl)cc2Cl)cc1C 408603326 GILVYUVXGMZFCO-ZDUSSCGKSA-N 445.368 3.684 0 40 IHAB C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 408647542 JKTAMYDKMVUYEK-CDHQVMDDSA-N 436.895 3.920 0 40 IHAB Cc1ccccc1CN(CC(=O)NCc1ccco1)S(=O)(=O)c1ccc(Cl)cc1 409066462 VPROEJGGQNQNMZ-UHFFFAOYSA-N 432.929 3.749 0 40 IHAB COc1ccc(OCCn2cc(C(=S)N3CCC(C(N)=O)CC3)c3ccccc32)cc1 409206417 OCFVLEVTCWJANH-UHFFFAOYSA-N 437.565 3.602 0 40 IHAB CCc1cccc(C)c1NC(=O)CSc1nnc(CNC(=O)c2ccccc2)n1CC 409349248 VDJFXFMNJVAIHA-UHFFFAOYSA-N 437.569 3.830 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCc1ccccc1)c1ccccc1 409389948 RJBKTKGGPOHIJV-UHFFFAOYSA-N 438.549 3.558 0 40 IHAB O=C(COc1cccc(NC(=O)C(=O)NCC[C@@H]2C[C@H]3CC[C@H]2C3)c1)Nc1ccccc1 520072205 AIFGFNLBBPJRPK-GBESFXJTSA-N 435.524 3.585 0 40 IHAB CCN(C)C(=O)COc1cc(C(F)(F)F)nc2ccc(I)cc12 559946378 JUHTZYMKQNOFMK-UHFFFAOYSA-N 438.187 3.715 0 40 IHAB Cc1cc(C)n([C@H](CNS(=O)(=O)c2ccc(Br)s2)c2ccsc2)n1 575612930 DNXAPXZZOJNMSY-CYBMUJFWSA-N 446.417 3.953 0 40 IHAB COC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](c2csc3ccccc23)N(C)C)cc1 575620550 KTQWHZSAGOUYPI-SFHVURJKSA-N 433.555 3.661 0 40 IHAB O=C(Cc1ccc(-c2ccccc2)cc1)N1CCC(Cn2nc3c(cc2=O)CCC3)CC1 1775968850 NMSGOXYYIIVCTE-UHFFFAOYSA-N 427.548 3.880 0 40 IHAB O=C(CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1)Nc1cccc(C(F)(F)F)c1 630530 LMPNELRMMCMDBF-UHFFFAOYSA-N 445.426 3.858 0 40 IHAB COc1cccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(Br)cc2)c1OC 867223 YHXBIQDBIZBUDU-KRWDZBQOSA-N 446.301 3.733 0 40 IHAB Cc1sc(NC(=O)Cc2ccccc2)nc1-c1ccc2c(c1)CCN2S(C)(=O)=O 1365917 JWYVLHNGGLKHEO-UHFFFAOYSA-N 427.551 3.622 0 40 IHAB COc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)c(OC)c1 1368117 ZBYHKQXDSCZSIM-NSHDSACASA-N 445.566 3.857 0 40 IHAB COc1ccc(C(=O)Nc2ncc3c(n2)C[C@H](c2ccc(OC)c(OC)c2)CC3=O)cc1 2104422 ZUOBGDKIPVNTNR-INIZCTEOSA-N 433.464 3.667 0 40 IHAB biogenic CN(C)CCCn1c(=O)n(CCc2ccccc2)c(=O)c2c3c(sc21)CCCCC3 2436377 BXTLZSOLVQDMAD-UHFFFAOYSA-N 425.598 3.688 0 40 IHAB CCCCOc1ccc([C@H]2C(C(=O)OCCOC)=C(C)N=C3SCCC(=O)N32)cc1 2484742 URSJIVZQKSDHMH-FQEVSTJZSA-N 432.542 3.705 0 40 IHAB CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(Br)cc2F)C1=O 3362491 KJKOAOMETJYUIJ-HXUWFJFHSA-N 448.292 3.774 0 40 IHAB Cc1ccc2cc(CN(CCCN(C)C)C(=S)NCc3ccccc3)c(=O)[nH]c2c1C 6410155 GMEWPHFFDMOPOW-UHFFFAOYSA-N 436.625 3.973 0 40 IHAB CCCNS(=O)(=O)c1ccc(CCC(=O)N2CCC(Cc3ccccc3)CC2)cc1 6880206 HJRHJPZUPBAFJI-UHFFFAOYSA-N 428.598 3.789 0 40 IHAB CCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1cc(Br)c(O)c(OC)c1 8845799 QAWRAEOZJWCMPV-SFHVURJKSA-N 444.285 3.824 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2nc(C)c(C(=O)NCc3c(F)cccc3F)s2)cc1 8978947 OERLREOBNBVYKR-UHFFFAOYSA-N 437.493 3.769 0 40 IHAB COc1ccc(-c2noc(CNC(=O)COc3ccc(C)cc3Br)n2)cc1 9031564 CNULLQPAYUTNAE-UHFFFAOYSA-N 432.274 3.511 0 40 IHAB COCCCn1c(C(=O)Nc2cccc(C(F)(F)F)c2)cc2c(=O)n3ccccc3nc21 9186997 IIHJIGJARLBGRR-UHFFFAOYSA-N 444.413 3.957 0 40 IHAB CCc1ccccc1N1C[C@@H](c2nnc(NC(=O)c3ccc4c(c3)OCO4)s2)CC1=O 9198225 BYURQIULMCONBQ-HNNXBMFYSA-N 436.493 3.602 0 40 IHAB CCOC(=O)C1=C(COC(=O)C23CC4CC(CC(C4)C2)C3)NC(=O)N[C@H]1c1cccs1 9315799 SIOGEHCAENITTA-QDJPGJPLSA-N 444.553 3.679 0 40 IHAB COc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)n3nc(N4C(=O)CCC4=O)nc3N2)cc1 9346085 NEBCPIVVGSGCRP-MSOLQXFVSA-N 437.887 3.740 0 40 IHAB COc1ccc(C(=O)Nc2nnc(SCC(=O)Nc3cccc(C)c3)s2)c(OC)c1 9364365 XOHHZURIUGPUDT-UHFFFAOYSA-N 444.538 3.847 0 40 IHAB CC1(C)C[C@@H]([C@@H](CCNC(=O)CN2C(=O)c3ccccc3C2=O)c2ccccc2)CCO1 9462546 ICVLHYUIIYLZHL-PMACEKPBSA-N 434.536 3.778 0 40 IHAB O=C(/C=C/c1ccc(Br)cc1)NC(=S)NN1CCCC[C@@H]1c1cccnc1 9478036 JKECHXGOXFKXMC-VEGGFIAOSA-N 445.386 3.990 0 40 IHAB Cc1ccc(Nc2cc(C)nc(N3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)n2)cc1 9573262 LIBQRGIUFAPCBI-UHFFFAOYSA-N 431.496 3.528 0 40 IHAB COc1ccc(Cl)cc1NC(=O)CSc1ccc2nnc(-c3cccnc3)n2n1 9599817 OXCVCAKUTFDAER-UHFFFAOYSA-N 426.889 3.579 0 40 IHAB O=C(CSc1nnc(NC(=O)c2cccc(F)c2)s1)NCc1ccccc1Cl 9599958 PXMKUJZFYPZLQL-UHFFFAOYSA-N 436.921 3.991 0 40 IHAB O=C(CSc1nnnn1Cc1cccs1)N[C@@H](c1ccccc1)c1cccs1 9647578 OZAOFTKWHQVJOR-SFHVURJKSA-N 427.580 3.842 0 40 IHAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O 9730310 LBYQPXQEXRNGHA-IZHWHUGBSA-N 448.548 3.599 0 40 IHAB O=C(NCc1ccccc1)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 10009447 QQZINRDBERUDBT-NRFANRHFSA-N 442.924 3.613 0 40 IHAB COc1cccc(-n2c(S[C@H]3CCCCNC3=O)nc3sc4c(c3c2=O)CCC4)c1 10091463 CIMLHZSIDVPLFO-KRWDZBQOSA-N 441.578 3.705 0 40 IHAB CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)COc1ccc2ccccc2c1 10593081 LCVVAMPWTGVVNW-UHFFFAOYSA-N 440.883 3.512 0 40 IHAB COc1ccc2c(c1)CCCN2C(=O)CSc1nnc(N2CCCCC2)n1C1CC1 11779441 DZXVWKINVJHTOY-UHFFFAOYSA-N 427.574 3.683 0 40 IHAB COc1cccc(C(=O)N2CCN(c3cc(Oc4ccc(C)cc4)nc(C)n3)CC2)c1OC 12223882 JSWFSOPICWVXOP-UHFFFAOYSA-N 448.523 3.865 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CNc2cccc(C(F)(F)F)c2)cc1 12557830 RYDBQATUVZBRDI-UHFFFAOYSA-N 429.464 3.787 0 40 IHAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)/C=C/c2nc3ccccc3s2)CC1 12584511 TWPBOCYYGYRRGC-BQYQJAHWSA-N 435.505 3.916 0 40 IHAB O=C(NCC1CCCCC1)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 12815309 MQMQOYBZBLHBQW-UHFFFAOYSA-N 432.508 3.803 0 40 IHAB C[C@H](NC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1)c1cccc(Cl)c1 12901724 AEEFBXJUQHHVSX-ZDUSSCGKSA-N 427.979 3.615 0 40 IHAB CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C[C@@H]1Sc2ccccc2NC1=O 12972261 HMVQLQAVZVRONV-INIZCTEOSA-N 437.443 3.605 0 40 IHAB Cc1ccc(N2C(=O)N(Cc3cc4c(cc3Br)OCCO4)C(=O)[C@H]2C)cc1 13057595 HLCSBGINFQYGPK-CYBMUJFWSA-N 431.286 3.886 0 40 IHAB CCN(C(=O)[C@@H](C)Sc1nnc(-c2ccc(OC(F)F)cc2)n1N)c1ccccc1 13095668 BBMGEQYSHQTCRE-CYBMUJFWSA-N 433.484 3.794 0 40 IHAB CCCn1c(-c2cccc(S(=O)(=O)N3CCOCC3)c2)cs/c1=N\c1ccccc1 13511435 LLKIAFYGTQYMLA-FCQUAONHSA-N 443.594 3.880 0 40 IHAB Cc1ccc(C(=O)NCCSCc2ccccc2F)cc1S(=O)(=O)N1CCCC1 13672148 ZAKFPMFOLJHTAR-UHFFFAOYSA-N 436.574 3.582 0 40 IHAB CC[C@H](C(=O)Nc1ccccc1C(=O)NCC(C)C)N(c1ccc(C)cc1)S(C)(=O)=O 13686111 BKWCTZFSOGJASR-OAQYLSRUSA-N 445.585 3.564 0 40 IHAB CCCOc1ccc(C(=O)CCC(=O)NCC(=O)Nc2ccccc2Br)cc1 14167130 KFRBUYJGRGQAIU-UHFFFAOYSA-N 447.329 3.956 0 40 IHAB CC(C)CN(Cn1nc(Nc2ccccc2F)sc1=S)[C@@H]1CCS(=O)(=O)C1 14262774 MOTVKVWRMRXQEM-CYBMUJFWSA-N 430.596 3.659 0 40 IHAB CCc1nnc(SCc2ccccc2)n1NC(=S)NC(=O)Cc1ccc(Cl)cc1 14269324 MYZOWUIDNTVXTH-UHFFFAOYSA-N 446.001 3.974 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N[C@H](C)c1ccccc1OC 15967164 RVLCCMBUFUOXTP-QGZVFWFLSA-N 446.569 3.760 0 40 IHAB Cc1cccc(Nc2nc(NCCN3CCOCC3)nc3c2cnn3-c2ccccc2)c1 17135440 VNDXAKCAOAUZAL-UHFFFAOYSA-N 429.528 3.612 0 40 IHAB Cn1cc(C(=O)Nc2ccc(Cl)cc2)c2[nH]c(=O)n(-c3ccc(Cl)cc3)c(=O)c21 17149042 WMWNPVICIRFGAM-UHFFFAOYSA-N 429.263 3.577 0 40 IHAB Cc1ccc(O[C@@H](C)C(=O)N2CCC[C@@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)cc1 19210841 DMTNJLHVLGLDHR-CIRFHOKZSA-N 437.466 3.580 0 40 IHAB Cn1c(N2CCC(C(=O)NC3CCN(Cc4ccccc4)CC3)CC2)nc2ccccc21 19289966 CVRJMKBQGBTUKC-UHFFFAOYSA-N 431.584 3.571 0 40 IHAB O=C(CN1CCC[C@H](n2c(=O)oc3ccc(Cl)cc32)C1)NC12CC3CC(CC(C3)C1)C2 19345993 PIZZQIWQGTVXML-ICFVPDRFSA-N 443.975 3.970 0 40 IHAB O=C(Cc1ccc2c(c1)OCO2)N1CCC[C@H]1c1nnc(-c2nccc3ccccc23)o1 19376457 OANXCZGAJZPAQF-SFHVURJKSA-N 428.448 3.920 0 40 IHAB Cc1nc([C@@H]2CCCN(Cc3ccccc3N3CCC(O)CC3)C2)nc2c1CCCN2C 19706725 OWZOKTKOQVKZNO-OAQYLSRUSA-N 435.616 3.508 0 40 IHAB Cc1ccc(C)c([C@@H]2CCCN2C(=O)Cn2cc(C(=O)NCc3ccccc3)ccc2=O)c1 19751713 HOQQAPLPVAPWOB-DEOSSOPVSA-N 443.547 3.759 0 40 IHAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2cccc(N3CCCCS3(=O)=O)c2)CC1 21756282 ATLURGGTRHCTTN-UHFFFAOYSA-N 447.988 3.541 0 40 IHAB O=C(c1cc(-c2cccs2)on1)N(Cc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 21786076 ASBIKGQVPMHGLR-OAHLLOKOSA-N 436.942 3.886 0 40 IHAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)OCc1csc(-c2ccc(Cl)cc2)n1 23844590 PHFGBCNCAHJPTB-UHFFFAOYSA-N 433.917 3.761 0 40 IHAB O=C(C1CCN(c2ccc(C(F)(F)F)cn2)CC1)N1CCN(Cc2ccsc2)CC1 24757372 YHEVHHASOXCBOF-UHFFFAOYSA-N 438.519 3.723 0 40 IHAB CSc1ccc(S(=O)(=O)Nc2ccc3ccccc3c2)cc1C(=O)N1CCOCC1 26117037 TTYVBYDKRZHUPX-UHFFFAOYSA-N 442.562 3.835 0 40 IHAB CCOC(=O)C[C@H](c1ccc(F)cc1)C1CCN(C(=O)c2cc(C(C)=O)cn2C)CC1 32809342 XISHLYRTRPVQIA-OAQYLSRUSA-N 428.504 3.956 0 40 IHAB O=C(Nc1ccc(F)cc1)[C@H]1Sc2nc(O)sc2[C@@H]2c3ccccc3OC(=O)[C@@H]12 35074971 OTQVZPBQAZFKFV-KFWWJZLASA-N 428.466 3.768 0 40 IHAB COc1cc(CN(C)C(=O)C2CCN(C(=O)c3ccsc3)CC2)ccc1OC(F)F 40062671 PIHCGDDSXWXKAB-UHFFFAOYSA-N 438.496 3.869 0 40 IHAB O=C1C[C@H](C(=O)Nc2ccccc2)c2c(nc(Nc3cccc(C(F)(F)F)c3)[nH]c2=O)N1 40400184 QLOLAGCAYBXQJU-AWEZNQCLSA-N 443.385 3.597 0 40 IHAB CCCn1c(SCC(=O)Nc2cc(OC)c(OC)c(OC)c2)nc2ccsc2c1=O 57425293 ZPNWMJGQHAGAPD-UHFFFAOYSA-N 449.554 3.625 0 40 IHAB Cc1ccc(NC(=O)Cn2c(=O)n(-c3cc(F)cc(F)c3)c(=O)c3sccc32)cc1C 57494221 PDEPNQKLCRWHFY-UHFFFAOYSA-N 441.459 3.748 0 40 IHAB Cc1noc(-c2ccnc(-n3cnc(C(=O)NCc4ccc(C(F)(F)F)cc4)c3)c2)n1 71768373 XJOXINVRIVUWSP-UHFFFAOYSA-N 428.374 3.575 0 40 IHAB COc1ccccc1Cc1noc(C2CN(CC(=O)Nc3cccc(C(F)(F)F)c3)C2)n1 77191360 MBZDLIBIWBMVHS-UHFFFAOYSA-N 446.429 3.726 0 40 IHAB COc1ccc(C2(CNC(=O)Cc3c(C)n[nH]c3-c3ccc(F)cc3)CCOCC2)cc1 95474244 GDQBSMFQBVWHSK-UHFFFAOYSA-N 437.515 3.940 0 40 IHAB COc1ccc(CN2C(=O)[C@@H]3C[C@@H](CN3Cc3ccc(OC)nc3)Oc3ccccc32)cc1 96111888 CGCXHYNKQWJBKG-GMAHTHKFSA-N 445.519 3.668 0 40 IHAB biogenic,in-vitro COc1cc2c(cc1OC)CC(=O)N(CC(=O)Nc1ccc3c(c1)nc(C(C)C)n3C)C=C2 96232767 RPRVGEDXKLFEKZ-UHFFFAOYSA-N 448.523 3.708 0 40 IHAB CN1CCN(C(=O)C[C@H]2CC3(CCN(C(=O)CC4CCCC4)CC3)c3ccccc32)CC1 96242278 WCPWSPIXTIQUDD-QFIPXVFZSA-N 437.628 3.779 0 40 IHAB Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(C(F)(F)F)cc1)C1=C(O)c3ccccc3C1=N2 102931177 AAIYPRXAORXJLO-HNNXBMFYSA-N 439.393 3.652 0 40 IHAB CC[C@@H](C(=O)N[C@H](C)COc1ccccc1C)N(c1ccc(Cl)cc1)S(C)(=O)=O 219108429 QMYPVLOFCZEWDI-APWZRJJASA-N 438.977 3.777 0 40 IHAB C[C@@H](C(=O)Nc1cccc(Br)c1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220443109 ZQOAYNUVTXGKFK-JTQLQIEISA-N 433.274 3.521 0 40 IHAB CC[C@H](C(=O)NCc1ccc(OC)cc1)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 220702123 CSSUSIMEQRKDII-GOSISDBHSA-N 445.368 3.863 0 40 IHAB Cc1ccccc1CSCCNC(=O)c1ccc(N(C)S(C)(=O)=O)cc1Cl 222513969 RMAYEWFUQBNQTF-UHFFFAOYSA-N 426.991 3.707 0 40 IHAB CC[C@@H](NC(=O)[C@@H](C)N(c1cccc(OC)c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 223113987 YTDXVLBWCJRPNA-UZUQRXQVSA-N 444.597 3.996 0 40 IHAB COCc1cccc(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)c1 223488841 XJOLQVZZHGSCQN-UHFFFAOYSA-N 440.521 3.676 0 40 IHAB COc1ccc(N(CC(=O)NCC2=CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 223574061 JITYFPWPHAFIFG-UHFFFAOYSA-N 428.554 3.816 0 40 IHAB CCc1ccc(N([C@@H](C)C(=O)NCc2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 224224981 FDATVAHBXLCYNK-AWEZNQCLSA-N 428.476 3.739 0 40 IHAB CCc1ccc(OCCNC(=O)CCCN(c2c(C)cccc2C)S(C)(=O)=O)cc1 224652757 OAIVDJVBMBVFNZ-UHFFFAOYSA-N 432.586 3.607 0 40 IHAB CCOC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 224801240 PGFGRUHSWFXNPY-UHFFFAOYSA-N 448.324 3.769 0 40 IHAB Cc1c(Cl)cccc1N(CC(=O)Nc1ccc(OC(F)(F)F)cc1)S(C)(=O)=O 224862562 JZOOXQDTPJPAFX-UHFFFAOYSA-N 436.839 3.952 0 40 IHAB CCn1c(=O)sc2cc(NC(=O)CCCN(c3ccc(C)cc3)S(C)(=O)=O)ccc21 225112270 HCOQOWLTYMTDEZ-UHFFFAOYSA-N 447.582 3.576 0 40 IHAB CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN1C(=O)c2cccc3cccc1c23 225394533 XAUIMKMRHGVDPC-HNNXBMFYSA-N 435.911 3.617 0 40 IHAB Cc1c(Cl)cccc1N(CCCC(=O)NCCCOC1CCCC1)S(C)(=O)=O 225500811 YSUUESOJOODPCX-UHFFFAOYSA-N 430.998 3.660 0 40 IHAB CN1CCC(Oc2ccc(CNC(=S)Nc3ccc(N4CCCC4=O)cc3)cc2)CC1 225773305 XDKLHTZMEHWFHW-UHFFFAOYSA-N 438.597 3.773 0 40 IHAB Cc1cc(Br)cc(C)c1NC(=O)CN(CCc1ccccc1)S(C)(=O)=O 226060176 ONWSOAYIMAMULL-UHFFFAOYSA-N 439.375 3.509 0 40 IHAB COc1ccccc1C(=O)NC[C@H]1CC[C@H](c2ccnc3nc(C(F)(F)F)nn32)CC1 257314061 UVDUFYDJXWCAAG-HDJSIYSDSA-N 433.434 3.856 0 40 IHAB NC(=O)c1ccc(-c2cccc([C@@H]3CN(C(=O)c4ccc5ncccc5c4)CCO3)n2)cc1 257325576 WTOLZLQOBWZQJN-DEOSSOPVSA-N 438.487 3.609 0 40 IHAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1 260793299 HXRBJXIHTZGDDT-XMMPIXPASA-N 438.549 3.530 0 40 IHAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)N[C@H](c2ccsc2)c2cccs2)cc1 390831431 RUIXRCHOVMMOGD-LJQANCHMSA-N 432.548 3.531 0 40 IHAB CCCNS(=O)(=O)c1ccc(OCC(=O)N2CCC(Cc3ccccc3)CC2)c(C)c1 408635977 MHHBBLLNWUMCGH-UHFFFAOYSA-N 444.597 3.543 0 40 IHAB Cc1cccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(Br)c(C)c3)CC2=O)c1 408653509 IGJHWGDYNLPBTO-OAHLLOKOSA-N 445.313 3.601 0 40 IHAB C[C@@H](NC(=O)COC(=O)CCCC(=O)Nc1ccc(Br)cc1)c1ccccc1 408669563 WUMLXJDHACLKOB-OAHLLOKOSA-N 447.329 3.979 0 40 IHAB Cc1ccccc1/C=[N+]1\NC(=O)[C@H](NC(=O)c2ccc(F)cc2)[C@H]1c1ccc(Cl)cc1 409060332 PZJUTESUPJNIFR-MYPDDRRYSA-O 436.894 3.804 0 40 IHAB Cc1ccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)N[C@H](C)c3ccccc3)n2C)cc1 409134500 UEZZNTAGTYHTCE-SJORKVTESA-N 437.569 3.584 0 40 IHAB CCCNC(=O)CN1C(=O)S/C(=C\c2ccccc2OCc2cccc(F)c2)C1=O 409198930 AHJVSLAXVYLTDT-UNOMPAQXSA-N 428.485 3.967 0 40 IHAB C[C@@]1(O)CCN(Cc2ccncc2F)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccc(F)cc1 514289859 PJTJMVPMZNKFIW-QNWVGRARSA-N 443.519 3.918 0 40 IHAB biogenic,in-vitro OC[C@@H](O)CN1CCC(c2ccnc(Nc3ncc(-c4ccccc4F)s3)c2)CC1 585262827 KKFZAPYIMDHLFU-KRWDZBQOSA-N 428.533 3.620 0 40 IHAB Cc1ccnn1CCC(=O)N1CCC2(CCCCCOc3ccccc3C(=O)NC2)CC1 643558081 IHRDWRWLOOOQHX-UHFFFAOYSA-N 438.572 3.573 0 40 IHAB CCOC(=O)c1c(NC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)sc2c1CCC2 846898 XABFRMNAXBHABZ-SFHVURJKSA-N 440.521 3.673 0 40 IHAB CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2C2CC2)cc1 1441721 SCFNNXPFZQUSCI-HXUWFJFHSA-N 439.537 3.587 0 40 IHAB CCn1c(SCC(=O)Nc2ccccc2N2CCOCC2)nnc1-c1ccccc1C 3323227 ACIOSEDNVMPPSA-UHFFFAOYSA-N 437.569 3.841 0 40 IHAB CCn1cc(C(=O)OCC(=O)c2cc(C)n(CC(F)(F)F)c2C)c(=O)c2ccc(C)nc21 3343509 PBFLTTPCGRCJLT-UHFFFAOYSA-N 449.429 3.745 0 40 IHAB Cc1ccc(-c2nnc(SCC(=O)Nc3ncc(C(F)(F)F)cc3Cl)n2N)cc1 3366220 RLAUUGNXJIYVJY-UHFFFAOYSA-N 442.854 3.765 0 40 IHAB COc1ccc([C@H](c2nnnn2Cc2ccc(F)cc2)N2CCC(C)CC2)c(OC)c1 4847708 BKSQYPHAKDIBDF-JOCHJYFZSA-N 425.508 3.699 0 40 IHAB COc1ccc(C(=O)NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)cc1 8718636 UPNXSXYNTGXHAD-UHFFFAOYSA-N 448.504 3.644 0 40 IHAB CC(=O)N1CCN(c2ccc(NC(=O)CSc3ccc(Br)cc3)cc2)CC1 9096336 ZWDXFJWCGQRTBP-UHFFFAOYSA-N 448.386 3.848 0 40 IHAB O=C(Nc1cc(Cl)ccc1N1CCCC1)c1cccc(S(=O)(=O)N2CCCC2)c1 9127807 VBMQAUQMSUXQSX-UHFFFAOYSA-N 433.961 3.977 0 40 IHAB C[C@H](Sc1nnc(-c2cccnc2)n1C1CC1)C(=O)N1CCN(c2ccccc2)CC1 9208225 HFXDLIVMUQBCPM-KRWDZBQOSA-N 434.569 3.504 0 40 IHAB COc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2cc(Cl)ccc2C)cc1 9236857 FBEAFPRVGLIXEQ-ROUUACIJSA-N 429.933 3.955 0 40 IHAB O=C(NCc1ccco1)[C@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccc(F)cc1 9238552 XSRCQBPUNGRCBF-MOPGFXCFSA-N 435.484 3.753 0 40 IHAB O=C(CSc1nnc(CCc2ccccc2)n1-c1ccc(Cl)cc1)N1CCOCC1 9296379 LPIIXOLQVIEHAX-UHFFFAOYSA-N 442.972 3.657 0 40 IHAB CCCCOc1ccc(-c2cc3c(=O)n(CC(=O)NCCc4ccccc4)ccn3n2)cc1 9319733 RYUGNFOERGWPFN-UHFFFAOYSA-N 444.535 3.701 0 40 IHAB COc1ccc(Cn2nnnc2SCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1 9515921 CRBHJPZJNQBBAL-MRXNPFEDSA-N 437.569 3.578 0 40 IHAB Cc1cccc(-c2nc3scc(CCNC(=O)C(=O)Nc4ccc(C)c(C)c4)n3n2)c1 9569091 YWTHQGXFEUKYRT-UHFFFAOYSA-N 433.537 3.680 0 40 IHAB COc1ccc(C(=O)Nc2ccc3c(c2)CCC3)cc1S(=O)(=O)N1CCCC[C@@H]1C 9584565 YFZKDDZPSQZEGM-INIZCTEOSA-N 428.554 3.999 0 40 IHAB COc1ccc(F)cc1S(=O)(=O)Nc1ccc(-n2c(C)nc3ccccc3c2=O)cc1 9715073 WQJGQHJOHYRCDC-UHFFFAOYSA-N 439.468 3.643 0 40 IHAB COc1ccc(C(=O)Nc2ccc(N3CCCCCC3)cc2)cc1S(=O)(=O)NC1CC1 9793934 QLNZHJOGIPNXOE-UHFFFAOYSA-N 443.569 3.769 0 40 IHAB Cc1c(Cl)cccc1NC1=NN=C(c2ccc(CCNS(C)(=O)=O)s2)CS1 11122680 QSPLPOMNHCVFEE-UHFFFAOYSA-N 443.019 3.721 0 40 IHAB CCOc1ccccc1NC(=O)N1CCN(c2ccc(Nc3cccc(C)n3)nn2)CC1 11697257 WBGAPSTYJOVKAG-UHFFFAOYSA-N 433.516 3.676 0 40 IHAB CN(Cc1ccccc1)Cc1cc(C[C@H]2CNCC[C@H]2CC(=O)Nc2nccs2)no1 12482038 UCRRMFAAQQXDGH-OALUTQOASA-N 439.585 3.560 0 40 IHAB biogenic,in-vitro Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3cc(F)cc(F)c3)c12 12766133 WJLYHLABWDPHFI-INIZCTEOSA-N 446.479 3.507 0 40 IHAB O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)NCc1ccccc1OC(F)F 12790694 LRFGEIPAICHAIO-UHFFFAOYSA-N 433.480 3.645 0 40 IHAB C[C@@H](NC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)c1ccc(F)cc1F 12790927 IWBHKYORUUQHAL-WSYSLRRZSA-N 434.508 3.855 0 40 IHAB O=C(CNC(=O)c1ccc(Cl)cc1Cl)Nc1nc(CN2CCCCC2)cs1 12894643 MLLSDNJPYNXCSE-UHFFFAOYSA-N 427.357 3.804 0 40 IHAB O=C(CCNC(=O)Cc1ccccc1)NCc1cn(-c2ccccc2)nc1-c1ccccc1 12952044 QMJLEWHNYVCSNA-UHFFFAOYSA-N 438.531 3.905 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2nc(CC(=O)Nc3cccc4ncccc34)cs2)cc1 13690763 VXNPFAOYLURQTQ-UHFFFAOYSA-N 438.534 3.982 0 40 IHAB CC[C@@H](C(=O)Nc1ccc(Br)cc1)N(c1ccc(C)cc1)S(C)(=O)=O 13713094 UVVCQYDEXSPXDN-KRWDZBQOSA-N 425.348 3.941 0 40 IHAB CCOC(=O)C1=C(C)Nc2nc(SCC(=O)OC)nn2[C@@H]1c1ccc(C(C)C)cc1 14163477 DDJTXGVGVDKDHL-GOSISDBHSA-N 430.530 3.519 0 40 IHAB COC(=O)c1ccc(C(=O)Oc2ccc(N(C)S(=O)(=O)c3ccccc3F)cc2)cc1 14708318 VUGQLDRYBLJEPS-UHFFFAOYSA-N 443.452 3.657 0 40 IHAB NC(=O)C1CCN(Cc2cc(Br)cc3c2O[C@@H](c2ccccc2)OC3)CC1 16694676 MQVFELQTVYSHDD-NRFANRHFSA-N 431.330 3.754 0 40 IHAB CCN(CC)C(=O)c1sc(NC(=O)c2c(OC)cccc2OC)c(C(=O)OC)c1C 17098870 NBBXTXIOGVYDMR-UHFFFAOYSA-N 434.514 3.595 0 40 IHAB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc(N2CCCC2=O)cc1 17915240 SJKVLFNVXPDJLV-UHFFFAOYSA-N 433.430 3.722 0 40 IHAB Cc1nc(C[C@@H](NCc2ccc(N3CCCC3=O)cc2)c2ccc(Cl)cc2)cc(=O)[nH]1 19285337 ZYZZEMOZXWZURB-JOCHJYFZSA-N 436.943 3.932 0 40 IHAB COc1ncc(C(=O)N2CCC(c3cc4nc(C(C)C)cc(C(F)(F)F)n4n3)CC2)cn1 19452428 XKSQNOADQGXNCV-UHFFFAOYSA-N 448.449 3.690 0 40 IHAB CSCC[C@H](NC(=O)c1ccc2c(c1)CCCC2)c1cc(=O)[nH]c(-c2cccnc2)n1 19573980 OSBORVNANBENDF-FQEVSTJZSA-N 434.565 3.935 0 40 IHAB COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc2nn(-c3ccc(C)cc3)nc2c1 19646015 IWODJPMICDEHRZ-UHFFFAOYSA-N 447.520 3.873 0 40 IHAB Cc1nc([C@H]2CCCCN2C(=O)CCCn2c(C(C)C)nc3ccccc32)ncc1C(N)=O 19764515 FQDLNZQXPORCFV-OAQYLSRUSA-N 448.571 3.891 0 40 IHAB CC(=O)c1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3Cl)C2)c1 19859903 LSQZGMASBAWVRO-QGZVFWFLSA-N 434.945 3.723 0 40 IHAB CCN(CC(=O)Nc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(OC)c(C)c1 19929708 CCVYVXWBBTYQJS-UHFFFAOYSA-N 431.341 3.960 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc(F)c1 20006964 HKWJIEIVSOCPJB-FQEVSTJZSA-N 442.512 3.671 0 40 IHAB CCOc1ccccc1CNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 20460461 OTMZTZLDXXGFMK-UHFFFAOYSA-N 442.512 3.736 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(C)cc2)Cc2ccccc2)cc1 21025929 OQCSMIOSQPEDPZ-UHFFFAOYSA-N 438.549 3.511 0 40 IHAB COc1cccc([C@H](c2sc3ncnn3c2O)N2CCN(c3ccc(F)cc3)CC2)c1 22609910 HZGAWOUTJABEQK-LJQANCHMSA-N 439.516 3.556 0 40 IHAB CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc(S(C)(=O)=O)cc1 23053450 QWKQUDWBTCCERU-UHFFFAOYSA-N 433.917 3.846 0 40 IHAB COc1ccc(OC)c(NC(=O)CN2c3ccc(F)cc3-c3ccccc3S2(=O)=O)c1 24608158 CJIFQCZJMMSFFC-UHFFFAOYSA-N 442.468 3.657 0 40 IHAB O=C(Nc1ccc(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)cc1)NC1CC1 24617444 CMWUXJGZHXSMGZ-UHFFFAOYSA-N 441.841 3.880 0 40 IHAB Cc1ccc(-n2ncc(C(=O)N3CCN(CC(=O)Nc4cccc(C)c4C)CC3)c2C)cc1 24752308 HIYNZXMCGFZRSA-UHFFFAOYSA-N 445.567 3.502 0 40 IHAB CCNS(=O)(=O)c1cccc(C(=O)N2CCc3sccc3[C@H]2c2ccccc2)c1 25898335 UCRFEGWXONIIFG-OAQYLSRUSA-N 426.563 3.834 0 40 IHAB CCOC(=O)N[C@@H](Nc1sc(C(C)=O)c(C)c1C(=O)OCC)C(=O)c1ccccc1 27018488 FAXRKUZTEQJYPQ-GOSISDBHSA-N 432.498 3.803 0 40 IHAB CCCOc1c(Cl)cc(/C=C/C(=O)N2C[C@@H](C(=O)NC)Oc3ccccc32)cc1OC 29767706 TVPMAOAZCDHBAV-XTXLJPNXSA-N 444.915 3.691 0 40 IHAB CCOc1cccc(C(=O)NC(=S)Nc2nc3ccc(N4CCOCC4)cc3s2)c1 32126745 AQIZOSBKENUVQU-UHFFFAOYSA-N 442.566 3.658 0 40 IHAB CCn1c2ccccc2c2nnc(SCC(=O)N3c4ccccc4NC(=O)C[C@H]3C)nc21 32671785 ODTFNMQMQLYGKC-CQSZACIVSA-N 446.536 3.855 0 40 IHAB O=C(OCc1nc2sc3c(c2c(=O)[nH]1)CCC3)c1cc(Cl)c2c(c1)OCCCO2 32745398 FBNSJLGQNAYMLK-UHFFFAOYSA-N 432.885 3.645 0 40 IHAB CCOc1cc2c(cc1CSc1nnc(-c3cccs3)n1CC(N)=O)O[C@@H](C)C2 32905723 ZMGOAZSUQCHMNY-LBPRGKRZSA-N 430.555 3.506 0 40 IHAB COC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)cc1C 35131747 UCEFGEZLJJJLPH-UHFFFAOYSA-N 441.505 3.927 0 40 IHAB O=C(CN1CCN(C(=O)c2ccc(-c3ccc(F)cc3)s2)CC1)N1CCCCCC1 35325825 KEZBVFVYEMGLNU-UHFFFAOYSA-N 429.561 3.715 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(Cc4ccc(F)cc4)o3)C2)cc1C 35596932 HCIOBQZQFHDJPC-GOSISDBHSA-N 429.517 3.985 0 40 IHAB COc1ccccc1-c1nnc(C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)s1 35597011 CDNMXOZAMZVJAI-UHFFFAOYSA-N 433.530 3.921 0 40 IHAB COc1cccc2cc(C(=O)NC3CCN(Cc4ccc(Cl)cc4)CC3)c(=O)oc12 36393747 SNVLOPWAHAGDBP-UHFFFAOYSA-N 426.900 3.849 0 40 IHAB CC(C)S(=O)(=O)c1ccc(CC(=O)OCc2cc(-c3ccc4c(c3)OCO4)on2)cc1 36662649 SKPLWMYQVGTPDH-UHFFFAOYSA-N 443.477 3.538 0 40 IHAB O=C(c1ccc(Cl)cc1)N1CCC[C@H](C(=O)N2CCCN(Cc3ccccc3)CC2)C1 39535826 RVZIWXAEGBCYQT-QFIPXVFZSA-N 439.987 3.927 0 40 IHAB COc1ccc(C(=O)N[C@H](C(=O)OCc2cc(=O)oc3c(C)c(C)ccc23)C(C)C)cc1 39656650 FKTIQGUASOCWQU-QFIPXVFZSA-N 437.492 3.916 0 40 IHAB COc1ccc2cnn(CC(=O)N(Cc3ccccc3)Cc3ccccc3)c(=O)c2c1OC 40283997 JHIVCWCZJNFRBD-UHFFFAOYSA-N 443.503 3.643 0 40 IHAB O=C(c1ccccc1C(F)(F)F)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCO3)CC1 42382475 MHLPWUCOKUFLRA-DLBZAZTESA-N 446.425 3.522 0 40 IHAB CC[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1)c1ccccc1 44903490 MTRSTBYOTXSRKH-GOTSBHOMSA-N 428.598 3.929 0 40 IHAB O=C(NCCc1ccccc1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 45715866 ZKLJULGYOOKYQW-FQEVSTJZSA-N 427.504 3.651 0 40 IHAB C[C@H](C(=O)Nc1ccccc1N1CCCC1=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 48261284 NKUMNROOTGMRFJ-IERDGZPVSA-N 427.932 3.867 0 40 IHAB CC[C@H](c1nnnn1CCOC)N(Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O 57640838 GFRSTINASZPFAQ-HSZRJFAPSA-N 446.555 3.623 0 40 IHAB Cc1nc(C(=O)N2CCC3(CC2)NC(=O)c2ccccc2O3)cc2c1[nH]c1ccccc12 57731597 CYTJTOMEVNEJFR-UHFFFAOYSA-N 426.476 3.779 0 40 IHAB CC(C)CNC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2cc(C(C)(C)C)ccc2O1 64985442 QOMLYZKAVCEBBW-NRFANRHFSA-N 430.570 3.713 0 40 IHAB O=C(Nc1ccccc1)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccccc2F)cc1 67896559 CWQMRFMWAFHFNY-ISKFKSNPSA-N 449.482 3.931 0 40 IHAB biogenic,in-vitro COc1ccc(CCC(=O)N[C@H](c2ccccc2)c2n[nH]c(C)n2)cc1Br 69484141 YTPKNJJEBPLIBQ-LJQANCHMSA-N 429.318 3.723 0 40 IHAB COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2nc3c(s2)CCC3)C12CCCC2 72405656 DHRJSAIXFZICFJ-LJQANCHMSA-N 425.554 3.769 0 40 IHAB CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 79016092 ZDJYBTNPQCUXNT-IBGZPJMESA-N 448.516 3.573 0 40 IHAB Cc1ccc(C(=O)NCC2(N3CCOCC3)CCCCC2)cc1NC(=O)c1ccco1 89646824 REIYCHGPOSFYPS-UHFFFAOYSA-N 425.529 3.605 0 40 IHAB COc1ccc([C@H]2SCC(=O)Nc3c2c(O)nn3[C@@H]2CCOC(C)(C)C2)c(OC)c1 96117768 HFWUDNXEXUELCY-KZULUSFZSA-N 433.530 3.511 0 40 IHAB Cn1cnc2c(NCc3ccccc3)nc(C3CCN(C(=O)c4cccnc4)CC3)cc21 96267105 ZPDGCBQDMKVNLY-UHFFFAOYSA-N 426.524 3.995 0 40 IHAB Cc1ccc(N2C(=O)C[C@H](N3CCN(C45CC6CC(CC(C6)C4)C5)CC3)C2=O)cc1Cl 100161590 SQMJMSGUQNOIQV-KIZRYQFWSA-N 442.003 3.867 0 40 IHAB CCN1CCN(CC(=O)Nc2oc3ccc(Cl)cc3c(=O)c2-c2ccc(C)cc2)CC1 101371641 ZHZXVSQQQKSFJE-UHFFFAOYSA-N 439.943 3.998 0 40 IHAB CCCCc1ccc(NC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 222672411 BUHTWAWGPFUVDU-UHFFFAOYSA-N 446.569 3.985 0 40 IHAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N(C)c3ccccc3)cc2)cc1 222705892 WETLLMJFYZCCAU-UHFFFAOYSA-N 440.521 3.928 0 40 IHAB C[C@H](CC(C)(C)c1ccccc1)NC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O 224877274 XLMWXUROHQPJER-QGZVFWFLSA-N 437.005 3.974 0 40 IHAB CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)COc1cccc(C)c1 224907961 YXSPHWPBPQGMNZ-HSZRJFAPSA-N 426.557 3.962 0 40 IHAB Cc1nc2cc(C(=O)N3C[C@@H](C(=O)NCc4ccccc4)Oc4ccccc43)ccc2n1C 225892951 MVYPLFNRIQWEAZ-DEOSSOPVSA-N 440.503 3.606 0 40 IHAB Cc1cc(Cc2cccc(F)c2)cc([C@@H]2CN(C(=O)c3cc(C)nc4ccnn34)CCO2)n1 257223929 DZOUIWVJMBNJPY-QHCPKHFHSA-N 445.498 3.685 0 40 IHAB CC(=O)N[C@H](C(=O)N1CC[C@@H]2O[C@@H]3c4ccc(C)cc4OC(C)(C)[C@H]3C[C@@H]2C1)C(C)C 257315843 VCZCMTSFZZBPSO-SOXSJERISA-N 428.573 3.621 0 40 IHAB Cc1nc2cc([C@@H]3CCN(C(=O)C4CC4)C3)nn2c(C)c1CCC(=O)Nc1ccc(F)cc1 257341220 ZJKIULKHJUHESQ-GOSISDBHSA-N 449.530 3.782 0 40 IHAB COc1ccccc1[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 260815131 SIVPPWURXIOWRN-FPOVZHCZSA-N 444.597 3.547 0 40 IHAB Cc1cccc(C)c1N1C[C@@H](C(=O)OCC(=O)c2ccc(Br)cc2)CC1=O 408650686 MREFLSOQEZSSJO-INIZCTEOSA-N 430.298 3.845 0 40 IHAB CCOc1cc(/C=C2\S[C](Nc3cc(Cl)ccc3C)NC2=O)ccc1OCC(N)=O 408801356 VMSMQWQKHJISAB-UHFFFAOYSA-N 446.936 3.674 0 40 IHAB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)cc1C 409148545 QLJICGRSRCBGKZ-HNNXBMFYSA-N 434.414 3.857 0 40 IHAB CCN1CCN(C(=S)c2ccc(OCC(=O)Nc3cc(Cl)ccc3C)cc2)CC1 409230283 XZVRBBOFHAOOQZ-UHFFFAOYSA-N 431.989 3.979 0 40 IHAB COc1cc(OC)cc(C(=O)Nc2ccc(N3CCN(C(=O)C(C)C)CC3)c(Cl)c2)c1 623970 GBNCFXONTJZSRX-UHFFFAOYSA-N 445.947 3.914 0 40 IHAB COc1cccc(N(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)S(=O)(=O)c2ccc(C)cc2)c1 877194 MIYXDGXOXDXLQP-NJNPRVFISA-N 428.554 3.504 0 40 IHAB CC1CCN(S(=O)(=O)c2ccc(NC(=O)CSc3nc4ccccc4o3)cc2)CC1 883837 YBUUREWZBZNVCR-UHFFFAOYSA-N 445.566 3.979 0 40 IHAB CCOc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nnc(C)s2)ccc1O 1020436 PVCKEFCVRDEMNU-GOSISDBHSA-N 435.461 3.807 0 40 IHAB Cc1cc(OCC(=O)N2CCC(C(=O)O)CC2)c2c(C)c(Cc3ccccc3)c(=O)oc2c1 2159247 JIUNPQWTBNSGJH-UHFFFAOYSA-N 449.503 3.703 0 40 IHAB biogenic CCN(CC)CCCN/C=C1/C(=O)N(c2ccc(OC)cc2OC)C(=O)c2ccccc21 2221811 LJELJDYGGWQQHY-HEHNFIMWSA-N 437.540 3.553 0 40 IHAB Cc1ccc(S(=O)(=O)N(C(=O)c2ccncc2)c2ccc3oc(=O)sc3c2)c(C)c1 2493456 SKHVXYLQQXCIQQ-UHFFFAOYSA-N 440.502 3.902 0 40 IHAB O=C(CCCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)NCCc1ccc(Cl)cc1 2975239 SJAVFZCZGRCDKB-UHFFFAOYSA-N 445.928 3.580 0 40 IHAB COc1cc(CCC(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2)cc(OC)c1OC 3238202 ZQYAMYXXJLWKLJ-UHFFFAOYSA-N 441.402 3.846 0 40 IHAB O=C(COC(=O)CCNC(=O)c1ccccc1Cl)Nc1nc(-c2ccccc2)cs1 3268975 JJHZFVBTQQPZOD-UHFFFAOYSA-N 443.912 3.765 0 40 IHAB O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(F)cc1)Nc1ccc2c(c1)OCO2 3381699 OMUMDURLUBSOQX-UHFFFAOYSA-N 449.467 3.928 0 40 IHAB CCC(C)(C)NC(=O)[C@@H](c1cccs1)N(C(=O)Cn1nnc2ccccc21)C1CC1 4847423 MRLMTMXGZGRNPX-HXUWFJFHSA-N 425.558 3.530 0 40 IHAB COc1ccc2cc(CN(CCCN(C)C)C(=S)Nc3ccc(F)cc3)c(=O)[nH]c2c1 6198483 DYJPKLNTAIPZNT-UHFFFAOYSA-N 442.560 3.827 0 40 IHAB COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CCCCCC3)cc2c1 6282687 WASRNPBDWRWJTH-JOCHJYFZSA-N 436.560 3.994 0 40 IHAB Cc1ccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3ccc(C)cc3C)n2C)cc1 8438200 HVEQGEVUEYDDQG-QGZVFWFLSA-N 437.569 3.962 0 40 IHAB CCOC(=O)[C@H]1CCCN(Cc2cn3c(-c4ccc(Br)cc4)nnc3s2)C1 8673473 DOMSJUYBVBJFPO-AWEZNQCLSA-N 449.374 3.995 0 40 IHAB O=C(Cc1csc(N2CCCC2=O)n1)N1CCC[C@H](c2nc3ccccc3s2)C1 8724483 FDVHYZRBTKRLOY-AWEZNQCLSA-N 426.567 3.828 0 40 IHAB O=C(C[C@H]1C(=O)N[C@@H]2CCCC[C@@H]2N1C(=O)NC1CCCCC1)Nc1ccc(Cl)cc1 9427288 NKYUOQBQYKWOCJ-AABGKKOBSA-N 446.979 3.823 0 40 IHAB CCN(CC)C(=O)Cn1cc(C(=O)C(=O)NCc2ccc(Cl)cc2)c2ccccc21 9518827 CCVHOTMFUSANHU-UHFFFAOYSA-N 425.916 3.662 0 40 IHAB CNC(=O)NC(=O)[C@H](Sc1nc(-c2ccccc2Br)n[nH]1)c1ccccc1 9724505 UBJSKFKZQPFTDP-CQSZACIVSA-N 446.330 3.523 0 40 IHAB COc1ccc2cc([C@]3(C)NC(=O)N(CC(=O)N4CCC[C@H]5CCCC[C@@H]54)C3=O)ccc2c1 9992380 VIDLKWSEZOTMTO-DRKZVIBPSA-N 449.551 3.797 0 40 IHAB CNS(=O)(=O)c1ccc(C(=O)Nc2ccc(OC)c(Oc3ccc(OC)cc3)c2)cc1 11295893 PNSGTIMIGAOUQQ-UHFFFAOYSA-N 442.493 3.657 0 40 IHAB COc1cc2c(cc1NC(=O)CSc1nnnn1Cc1ccco1)oc1ccccc12 11306620 CKLUGQMEXWWRKX-UHFFFAOYSA-N 435.465 3.953 0 40 IHAB O=C1N[C@H](c2cccc(Br)c2)[C@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1 11847586 FXQFDOMPUROYRM-LALPHHSUSA-N 449.248 3.615 0 40 IHAB Cc1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)Cc2ccc(-c3ccccc3)cc2)n1 12123826 GIRXJSCAGGKXBT-UHFFFAOYSA-N 425.492 3.990 0 40 IHAB CCCCCOc1cccc(C(=O)Nc2sc3c(c2C(N)=O)CCN(C(C)=O)C3)c1 12378147 BGTGQOSHUGFIMT-UHFFFAOYSA-N 429.542 3.573 0 40 IHAB COc1cccc(C(=O)Nc2sc(SCC(N)=O)nc2-c2ccccc2)c1OC 12442847 PNWCUMHBIXLOMV-UHFFFAOYSA-N 429.523 3.657 0 40 IHAB CCCn1c(SCc2nc3ccccc3c(=O)n2CC(N)=O)nc2cc(Cl)ccc21 12540983 DSQGNCAQSIDICB-UHFFFAOYSA-N 441.944 3.587 0 40 IHAB O=C(NC1CCCC1)[C@@H](c1ccncc1)N(C(=O)c1csnn1)c1ccccc1F 12869935 ZGPDYMHYZCUSFZ-LJQANCHMSA-N 425.489 3.519 0 40 IHAB CCC(C)(C)NC(=O)[C@@H](c1ccccn1)N(Cc1ccc(F)cc1)C(=O)c1csnn1 12872072 SLWZCCWEMGGVTA-LJQANCHMSA-N 441.532 3.761 0 40 IHAB O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1cccc(N2C(=O)CCC2=O)c1 13121141 XEGCQHHVCVFSDO-UHFFFAOYSA-N 429.480 3.577 0 40 IHAB Cc1ccccc1N(C(=O)CNC(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1ccco1 13506699 CHGWCBACCSRYFU-HSZRJFAPSA-N 449.507 3.744 0 40 IHAB CSc1ccc([C@H]2N=C3NCN(Cc4cccnc4)CN3c3nc4ccccc4n32)cc1 13638227 RHSYLVBXXPEAFA-QFIPXVFZSA-N 441.564 3.897 0 40 IHAB COC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)cc1 15420372 OCEQUCMWGHBLIM-UHFFFAOYSA-N 428.441 3.665 0 40 IHAB CN(C)S(=O)(=O)c1ccc(-c2cs/c(=N\c3ccccc3)n2C[C@H]2CCCO2)cc1 16806550 PLYMNMZIMYQOHX-VLZBMTSBSA-N 443.594 3.878 0 40 IHAB COc1c(C)cccc1C(=O)NC(=S)Nc1ccccc1-c1nn2c(C)nnc2s1 17102355 IRLAYOBTHHJSLK-UHFFFAOYSA-N 438.538 3.605 0 40 IHAB COc1cccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)c1OC 18022511 PXSJQVJGJHFENU-GIWBLDEGSA-N 430.460 3.755 0 40 IHAB CCNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CCCN(C(=O)c2ccccn2)C1 19528640 QHKOAYXYAKSMJX-AREMUKBSSA-N 428.536 3.745 0 40 IHAB Cc1c(CN2CCC[C@@](Cc3cccc(-c4cccnc4)c3)(C(=O)N(C)C)C2)cnn1C 19553626 ROKYWDCPQFWCIV-SANMLTNESA-N 431.584 3.704 0 40 IHAB Cc1cc(C)n(CCC(=O)N2CCC(c3ccc(Cc4ccc(F)cc4)cn3)CC2)c(=O)n1 19690516 GVPQQXNUSMJGDD-UHFFFAOYSA-N 448.542 3.781 0 40 IHAB COc1ccc(NC(=O)c2cnc([C@H]3CCN(C(=O)Cc4ccc(C)cc4)C3)nc2C)cc1 19766227 WSJMPNCTWJYNBX-FQEVSTJZSA-N 444.535 3.913 0 40 IHAB COc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)cc1 20061959 MHXWLBKPLAFXGK-UHFFFAOYSA-N 436.961 3.795 0 40 IHAB O=C(C1CC1)N1CCc2cc(S(=O)(=O)Nc3ccc(OC(F)(F)F)cc3)ccc21 20209250 TUWZBLWFUOBEBN-UHFFFAOYSA-N 426.416 3.685 0 40 IHAB COC(=O)c1ccc(CS(=O)(=O)NCCSCc2c(F)cccc2Cl)cc1 20462719 YPGRGUYYEIDFHC-UHFFFAOYSA-N 431.938 3.619 0 40 IHAB Cc1ccc(C)c([C@@H](C)NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1 22334470 QNQDXHXNBJMKFB-OAHLLOKOSA-N 428.476 3.966 0 40 IHAB Cc1ccc([C@@H](NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)c2ccccc2)cc1 22526234 STIDCFGIIZNHHW-QHCPKHFHSA-N 426.513 3.806 0 40 IHAB Cc1cc(C)c([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C 22536706 WHMXBBOFZPPFKM-LJQANCHMSA-N 430.570 3.653 0 40 IHAB O=C1[C@@H](c2ccccc2)N(Cc2ccccc2)C(=O)N1CN1CCN(c2ccccc2)CC1 24657708 JXBOISNKLOXKML-RUZDIDTESA-N 440.547 3.972 0 40 IHAB NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 24835608 WFKFUTMCCROLNT-NRFANRHFSA-N 435.911 3.983 0 40 IHAB Cc1cc(NC(=O)Cc2coc3cc(C)c(C(C)C)cc23)n([C@@H]2CCS(=O)(=O)C2)n1 24979183 IKFJVPRDJRCWMB-QGZVFWFLSA-N 429.542 3.910 0 40 IHAB CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2)c1 27025311 GZNJYXCGBKMZMY-UHFFFAOYSA-N 435.509 3.836 0 40 IHAB C[C@H](c1nc(N)nc(Nc2ccccc2)n1)N1CCN(Cc2ccc(Cl)s2)CC1 27359166 SAHSYQWCOYPHOK-CQSZACIVSA-N 429.981 3.791 0 40 IHAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)COc1cc2oc(=O)cc(C)c2cc1Cl 27671777 IFROTYFDYYONHN-OAHLLOKOSA-N 443.883 3.822 0 40 IHAB CCOC(=O)Nc1cccc(C(=O)N[C@H](c2cc(OC)cc(OC)c2)c2nccn2C)c1 29131481 LDOSWBUFDQSTKM-HXUWFJFHSA-N 438.484 3.525 0 40 IHAB Cc1ccc(-c2noc([C@@H](C)N3CCN(S(=O)(=O)c4ccc(C)c(C)c4)CC3)n2)cc1 31584069 JIUWXDGGNFERCK-LJQANCHMSA-N 440.569 3.729 0 40 IHAB O=C(c1cccc(O)c1)N1N=C(c2cccc(Br)c2)C[C@]1(O)C(F)(F)F 32101373 IIVWTGMLRYEZPF-INIZCTEOSA-N 429.192 3.656 0 40 IHAB Cc1cc(C(=O)Nc2c(C)nn(COc3ccc(F)cc3F)c2C)c2c(C)nn(C)c2n1 32610679 MCVMWAPUTOTHKA-UHFFFAOYSA-N 440.454 3.965 0 40 IHAB COc1cc(/C=C2/SC(=N)NC2=O)ccc1OCCOCCOc1ccc(C)c(C)c1 33417757 ZHGDKRKNQDSQGW-KGENOOAVSA-N 442.537 3.925 0 40 IHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)NCc2ccoc2)c1 48263648 LDACEISHWHCBTQ-UHFFFAOYSA-N 429.498 3.825 0 40 IHAB CN(C)CCN(Cc1ccccc1F)C(=O)COc1ccc(Br)cc1F 48309464 MWRCYVACOFKZIV-UHFFFAOYSA-N 427.289 3.697 0 40 IHAB COc1ccc2c(c1)CCN=C2C[C@H]1CN(C(=O)Cc2ccccc2)CC[C@H]1CC(=O)O 49590459 IMZCOAUTHMSUQJ-FPOVZHCZSA-N 434.536 3.613 0 40 IHAB biogenic,in-vitro CCc1nnc2sc(-c3cccc(NC(=S)NC(=O)c4ccccc4F)c3)nn12 57316519 YDIHMWOEDUAFEL-UHFFFAOYSA-N 426.502 3.681 0 40 IHAB CCC[C@@H](c1nnnn1Cc1ccc2c(c1)OCO2)N1CCN(c2cc(C)ccc2C)CC1 57671366 IKDPNPYJAJHAAP-NRFANRHFSA-N 448.571 3.730 0 40 IHAB CC[C@H](C)NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2cc(C(C)(C)C)ccc2O1 64985436 FTJJEJKCNUOKEL-KKSFZXQISA-N 430.570 3.855 0 40 IHAB O=C(COc1cccc(C(F)(F)F)c1)N1CCN(c2cc(-c3ccccc3)ncn2)CC1 70637588 CZAIIOVVKJJFGL-UHFFFAOYSA-N 442.441 3.890 0 40 IHAB O=C(C1CCCC1)N1CCCN(CCOC(=O)C2(c3cccc(F)c3)CCCC2)CC1 78989371 HSNLHZAGSBSIOF-UHFFFAOYSA-N 430.564 3.905 0 40 IHAB Cc1c(C(=O)N[C@H](C)c2noc(Cc3ccccc3)n2)nnn1-c1cccc2cccnc12 79025358 UWPPTCBAMOAWJW-OAHLLOKOSA-N 439.479 3.589 0 40 IHAB COc1cc(NC2CCN([C@H](C)C(=O)NCc3ccc(Cl)cc3)CC2)cc(OC)c1 79025618 HHBCVVYKRBUMOX-MRXNPFEDSA-N 431.964 3.938 0 40 IHAB CC(C)(C)[C@H](NC(=O)CCc1ccc(OC(F)(F)F)cc1)c1nc(-c2nc[nH]n2)no1 89642940 HLPZZKHEKVUEMK-CQSZACIVSA-N 438.410 3.590 0 40 IHAB Cc1ccc(C(C)C)c(OCC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)c1 96544307 GZPPBTOSCPSBLF-UDWIEESQSA-N 439.537 3.745 0 40 IHAB CCOC(=O)[C@@H]1[C@H]2NC(=S)N(c3ccc(CC)cc3)[C@@]1(C)Oc1c(OC)cccc12 100029676 ZHTBDLHILCXXHJ-YDHSSHFGSA-N 426.538 3.981 0 40 IHAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccccc3OC)cc2)cc1 107846326 WZNILJIXOQGONB-UHFFFAOYSA-N 426.494 3.781 0 40 IHAB CCOc1ccc(S(=O)(=O)Nc2ccc3sc(C(=O)OC)cc3c2)cc1NC(C)=O 223261228 PREUKSAKVHDDOE-UHFFFAOYSA-N 448.522 3.846 0 40 IHAB CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN1C(=O)c2cccc3cccc1c23 224374464 QEUZXQLWBQVYEW-NRFANRHFSA-N 447.510 3.883 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCC1=CCCCC1)c1cccc(Br)c1 224673487 SUDGMKFAENAOCR-UHFFFAOYSA-N 429.380 3.612 0 40 IHAB CCOC(=O)CN(c1cccc(OCC)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224967811 PZKYXDJHABRFOF-UHFFFAOYSA-N 427.906 3.506 0 40 IHAB O=C(c1ccccc1Nc1ccccc1)N1C[C@@H]2OCC(=O)N(Cc3ccc(F)cc3)[C@H]2C1 257283831 PAAMHBHGEGRHEQ-ZEQRLZLVSA-N 445.494 3.821 0 40 IHAB CN(C)C(=O)[C@@]1(c2ccccn2)CCCN(Cc2cccc(OCc3ccccn3)c2)C1 257303338 SGUGLJSJKYMSSM-SANMLTNESA-N 430.552 3.678 0 40 IHAB CCOc1ccccc1N(CCCC(=O)N[C@H](C)CCc1ccccc1)S(C)(=O)=O 260512501 WZYOOCYVALHUQU-LJQANCHMSA-N 432.586 3.769 0 40 IHAB COc1ccc(N([C@H](C)C(=O)NC(C)(C)Cc2ccccc2)S(C)(=O)=O)cc1Cl 260746247 UVOAUSYBYDIZQM-OAHLLOKOSA-N 438.977 3.641 0 40 IHAB CCc1nc(S/C(=C\c2ccc(OCc3ccc4c(c3)OCO4)cc2)C(=O)O)n[nH]1 408631181 FSLQRJDRAGNEQM-ZDLGFXPLSA-N 425.466 3.893 0 40 IHAB COc1ccc(OC)c(NC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)c1 408680956 UMNRLPXWOBOBAT-UHFFFAOYSA-N 426.922 3.542 0 40 IHAB COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)cc1OC 409354911 AZLDSIHAIGZHKE-YBFXNURJSA-N 426.494 3.996 0 40 IHAB CN(CCCN(C)C(=O)[C@@H]1CCC(=O)c2ccccc21)C(=O)[C@@H]1CCC(=O)c2ccccc21 559547893 SHDRLLJRDSHEPV-DHIUTWEWSA-N 446.547 3.814 0 40 IHAB C[C@]1(c2cccc(-c3noc(-c4cccc5c6c([nH]c45)CCCC6)n3)c2)NC(=O)NC1=O 569409079 MRLYRYUBHGOFSG-XMMPIXPASA-N 427.464 3.818 0 40 IHAB Cc1cc(Nc2ncc(C)s2)nc(CC2CCN(Cc3cnc(N(C)C)nc3)CC2)n1 585263479 MMKVYSLHRXYATP-UHFFFAOYSA-N 438.605 3.604 0 40 IHAB O=C1CN(Cc2ccnc3ccccc23)Cc2ccc(C(=O)O)cc2OCCCCCN1 643574735 NAGAIXBLDQMVBE-UHFFFAOYSA-N 433.508 3.614 0 40 IHAB O=C(C1=Cc2ccccc2O[C@H]1C(F)(F)F)N1CCC(Oc2cncc(Cl)n2)CC1 1138675047 UXLPCLYDMDVVQZ-GOSISDBHSA-N 439.821 3.907 0 40 IHAB O=C(CC(F)(F)F)N1CCC2(CC1)Cc1ccccc1CN(Cc1cccnc1)C2=O 1565551016 LLFGUOZKMLKQPT-UHFFFAOYSA-N 431.458 3.728 0 40 IHAB COC(=O)c1c(NC(=O)COc2ccc(C(C)C)cc2)sc2c1[C@H](C(=O)OC)CC2 729946 HXCSDTDADANXMG-OAHLLOKOSA-N 431.510 3.878 0 40 IHAB O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 2633844 NYVFRSWIZGZQFH-UHFFFAOYSA-N 438.427 3.707 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc2nc(NC(=O)c3ccc(OC)c(OC)c3)sc2c1 2694872 JGSYOEZJORRBKF-UHFFFAOYSA-N 449.554 3.596 0 40 IHAB O=C1N[C@H](c2ccccc2C(F)(F)F)[C@@H](C(=O)c2ccccc2)[C@](O)(C(F)(F)F)N1 3212460 MWETWNSKBPIWLJ-VBQJREDUSA-N 432.320 3.809 0 40 IHAB Cc1ccc(C(=O)COC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 3237826 SFZOLJMMKXLBIZ-UHFFFAOYSA-N 429.538 3.528 0 40 IHAB Cc1cc(OCC(=O)N(C)CC(=O)Nc2ccccc2Br)ccc1Cl 3349470 DJMCSEWHNNUJDZ-UHFFFAOYSA-N 425.710 3.887 0 40 IHAB Cc1[nH]c(SCC(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)nc1Cc1ccccc1 8720180 YJNCXDCPOLAVJD-MRXNPFEDSA-N 432.553 3.859 0 40 IHAB COc1ccc(/C=C/C(=O)NCc2cccc(Cl)c2)cc1S(=O)(=O)N1CCCCC1 8988007 SOLXMVRJJBJUIW-PKNBQFBNSA-N 448.972 3.853 0 40 IHAB COc1cccc(C(=O)NC[C@@H](c2cccnc2)S(=O)(=O)c2ccc(Cl)cc2)c1 9006120 PIUXYYOFWIAOEZ-FQEVSTJZSA-N 430.913 3.689 0 40 IHAB COc1ccc(OC)c(N2C[C@@H](C(=O)Nc3ccc(Br)c(C)c3)CC2=O)c1 9095616 HFMQLYAISFSRHO-ZDUSSCGKSA-N 433.302 3.766 0 40 IHAB O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)OCC(=O)N1CC[C@@H]2CCCC[C@H]2C1 9217811 ANWOBIWGDTXUPR-REWPJTCUSA-N 434.536 3.665 0 40 IHAB COc1ccc([C@@H]2Nn3c(nnc3-c3ccccc3)S[C@@H]2C(=O)NCc2ccco2)cc1 9238864 ABUSZXOLQFQYOF-PMACEKPBSA-N 447.520 3.622 0 40 IHAB C[C@H](OC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1)C(=O)Nc1ccccc1F 9283281 MECWFYHBBXZWEP-HNNXBMFYSA-N 446.434 3.806 0 40 IHAB COc1ccc2c(CCNC(=O)CN3C(=O)S/C(=C\c4ccccc4)C3=O)c[nH]c2c1 9302814 SVHJZIXCPVDZBQ-JAIQZWGSSA-N 435.505 3.572 0 40 IHAB Cc1ccc(-n2ncc3c(=O)n(CC(=O)Nc4ccccc4C(F)(F)F)cnc32)cc1 9416328 XRCOHMZIRKOZAW-UHFFFAOYSA-N 427.386 3.548 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)c2sc(NC(=O)C3CC3)cc2C)c1 9585861 ZGWHHHAFUBKJKW-UHFFFAOYSA-N 449.598 3.996 0 40 IHAB O=C(CSc1ncnc2c1cnn2-c1ccccc1)c1cccc(N2CCCC2=O)c1 9586067 NXELILWEKZOVLS-UHFFFAOYSA-N 429.505 3.917 0 40 IHAB C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 9699604 VKQCVMGISGTFFX-JTQLQIEISA-N 431.297 3.515 0 40 IHAB C[C@H]1CCc2sc(-c3nnc(SCC(=O)c4ccc(CC(N)=O)s4)o3)cc2C1 9789052 CUOHYRGYFWRDDR-JTQLQIEISA-N 433.580 3.987 0 40 IHAB COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1cnc(SC)n1-c1ccccc1 9858619 MXDWYMJGYPXYCI-UHFFFAOYSA-N 444.944 3.967 0 40 IHAB O=C(Nc1ccccc1C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccco1 9910182 BJURQBGQRWNALJ-UHFFFAOYSA-N 439.493 3.569 0 40 IHAB CS(=O)(=O)N(CC(=O)N1CCc2ccccc21)c1ccc(OCc2ccccc2)cc1 10449297 CGEQWUCXHUKQOE-UHFFFAOYSA-N 436.533 3.621 0 40 IHAB C[C@H](Sc1nnc(N2CCCC2)n1C[C@@H]1CCCO1)C(=O)c1c[nH]c2ccccc12 10518751 ZCORIIACEFTUGM-HOTGVXAUSA-N 425.558 3.902 0 40 IHAB O=C(Nc1cccc(CNS(=O)(=O)c2ccc(Br)cc2Cl)c1)C1CC1 10668807 DQNRNNRSVRNSRT-UHFFFAOYSA-N 443.750 3.930 0 40 IHAB O=C1N[C@@]2(COC3(CCN(C(=O)c4csc5c4CCCC5)CC3)C2)Nc2ccccc21 12085475 SRONUJHCIHDGLA-DEOSSOPVSA-N 437.565 3.574 0 40 IHAB COC(=O)Cn1c(C)c(CN2CCC[C@H](n3c(=O)oc4ccccc43)C2)c2ccccc21 12089316 QVBFRULYUOEYFY-SFHVURJKSA-N 433.508 3.868 0 40 IHAB C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1ccccc1N1CCCCC1)C2=O 12523228 NGAHPAQTJJMACX-BXKMTCNYSA-N 426.561 3.752 0 40 IHAB COc1ccccc1[C@@H](CNC(=O)[C@@H](NC(=O)c1ccc(C)cc1)C(C)C)N1CCCC1 12796108 AUKKKEDYFKMIKM-VWNXMTODSA-N 437.584 3.711 0 40 IHAB CSc1ccc(CN(C)C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 12797411 PCWNMTBHMKAJMQ-UHFFFAOYSA-N 432.611 3.784 0 40 IHAB CC[C@H](C)c1ccc([C@H](NC(=O)C2CCN(c3ccc4nnnn4n3)CC2)C(C)C)cc1 12849984 SNUDUYDCVXPRNM-GAJHUEQPSA-N 435.576 3.763 0 40 IHAB CCOC(=O)N1CCC[C@@H](C(=O)Nc2ccnn2Cc2ccccc2Br)C1 12865127 YGAOAHKTWQKJEC-OAHLLOKOSA-N 435.322 3.501 0 40 IHAB CC(C)(C)NC(=O)[C@@H](c1ccccn1)N(C(=O)c1csnn1)c1cccc(Cl)c1 12870940 KUJDVULWTXEDNN-QGZVFWFLSA-N 429.933 3.889 0 40 IHAB COC(=O)/C=C/c1ccc(OS(=O)(=O)c2ccc(C)cc2Br)c(OC)c1 12942280 YLNINUSDLTXTCT-RMKNXTFCSA-N 441.299 3.720 0 40 IHAB CNS(=O)(=O)c1cc(C(=O)N[C@@H](c2ccccc2)c2ccc(C)c(C)c2)ccc1OC 13015099 IYSSIFNFBRGCKJ-QHCPKHFHSA-N 438.549 3.740 0 40 IHAB CC(C)(C)c1ccc(OCC(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@H]2CCCO2)cc1 13040732 GLPUAPWOTLZISM-HXUWFJFHSA-N 449.551 3.807 0 40 IHAB Cc1cccc(N(CC(=O)NC2CCCCC2)C(=O)CCC(=O)Nc2nccs2)c1C 13501727 QFZJVYFIIKYZKC-UHFFFAOYSA-N 442.585 3.961 0 40 IHAB O=C(CSCc1ccc(Cl)cc1)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 15378258 RADYRFIDZFUOJB-INIZCTEOSA-N 430.016 3.851 0 40 IHAB CN(C)[C@@H](CNC(=O)c1cc(-c2ccc3c(c2)OCCO3)on1)c1ccccc1Cl 15859655 FHSPDNYJZIMYKU-SFHVURJKSA-N 427.888 3.799 0 40 IHAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(Cl)cc(Cl)c2)cc1C 16692261 SEMKTQPXTTWLBD-UHFFFAOYSA-N 431.341 3.960 0 40 IHAB COc1c(C)cccc1C(=O)N1CCC[C@@H](c2n[nH]cc2-c2ccnc(N3CCCC3)n2)C1 19235825 SHVZYKDEZXBHSD-GOSISDBHSA-N 446.555 3.804 0 40 IHAB COc1ccc(F)cc1-c1ccccc1CC1(C(=O)N2CCC[C@@H](O)C2)CCOCC1 19561782 RPPNILNIHWMWGR-HXUWFJFHSA-N 427.516 3.824 0 40 IHAB CN(C)c1cccc(C(=O)N[C@@H](Cc2cc(=O)[nH]c(-c3cccnc3)n2)c2ccccc2)c1 19585072 XHTULZXUOZKCDH-QHCPKHFHSA-N 439.519 3.612 0 40 IHAB COc1ccc(CN2CCN(C)C(=O)[C@@H](Cc3ccc(-c4cccnc4)cc3)C2)cc1OC 19589449 GZTJCKKPXWGUFH-DEOSSOPVSA-N 445.563 3.899 0 40 IHAB Cc1cc(C(F)(F)F)nn1CCC(=O)N1CCC(c2ccc(-c3cncnc3)cn2)CC1 19688004 IBIXEZIMSWNFJC-UHFFFAOYSA-N 444.461 3.859 0 40 IHAB COc1cc2c(cc1CN1CCO[C@@H](c3ccc(-c4cccc(C(N)=O)c4)cn3)C1)CCC2 19693604 PPLBKMCIFPNRCC-AREMUKBSSA-N 443.547 3.918 0 40 IHAB Cc1nc([C@@H]2CCCCN2c2ncccn2)nc2c1CCC(=O)N2CCc1ccccc1 19740906 RVXDHSHNLVNGQZ-NRFANRHFSA-N 428.540 3.829 0 40 IHAB CCc1cc(C(=O)N2CCC[C@@H]2c2nc(C)c3c(n2)N(Cc2ccccc2)C(=O)CC3)on1 19741765 WVMLQFPZGCIATP-HXUWFJFHSA-N 445.523 3.792 0 40 IHAB Cc1ccc(C)c([C@@H]2CCCN2C(=O)c2ccc(=O)n(CC(=O)NCc3ccccc3)c2)c1 19749276 WRNDRRXKMQZGKF-DEOSSOPVSA-N 443.547 3.759 0 40 IHAB COc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)CC1=O 21453837 AHAOBGYDNYZMTK-GFCCVEGCSA-N 437.279 3.537 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)NC1CCCCCCC1 22249035 DFCPKZATTXVZHL-UHFFFAOYSA-N 430.998 3.978 0 40 IHAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O 22330705 NJALPZXASPIZDT-KRWDZBQOSA-N 436.961 3.833 0 40 IHAB O=C(CN1CCN(Cc2ccc3c(c2)CCO3)CC1)N[C@@H](c1ccccc1)c1cccs1 22789498 QAWJPNPNKJTBQU-SANMLTNESA-N 447.604 3.706 0 40 IHAB COc1cccc(NC(=O)Cn2cccc(-c3nc(-c4ccc(Cl)cc4)no3)c2=O)c1 23126133 UYPAFFYOUUSFDS-UHFFFAOYSA-N 436.855 3.866 0 40 IHAB COc1cccc(N2CCN(C(=O)[C@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)CC2)c1 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Cc1ccc(-n2cnnc2SCC(=O)NC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1Cl 34890494 NJCLGMNCDPPQQL-RVSPLBMKSA-N 435.981 3.972 0 40 IHAB COc1cccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c1O 44320290 SXWVQIGAXHJFCT-NRFANRHFSA-N 433.460 3.935 0 40 IHAB Cc1cccc(NC(=O)NC(=O)CN[C@@H](C(=O)N2CCC(C)CC2)c2ccccc2)c1C 48375012 BVJBWHWPGGLXOS-HSZRJFAPSA-N 436.556 3.541 0 40 IHAB COc1cccc(OC)c1C(=O)NC(=S)NCc1ccc(-c2nc3ncccc3o2)cc1 57328230 CKSASYZRAMZUEQ-UHFFFAOYSA-N 448.504 3.712 0 40 IHAB Cc1cnc(NC(=O)CN2CCC(c3ccc(Nc4ccc(F)cn4)cn3)CC2)s1 72374188 GONNOFQCDZEVOI-UHFFFAOYSA-N 426.521 3.942 0 40 IHAB COc1cccc(N(C)CCC(=O)N2CCC(c3ccc(Nc4cnccn4)cn3)CC2)c1 72374351 POAWYSBDLJYVQE-UHFFFAOYSA-N 446.555 3.856 0 40 IHAB COc1ccc(CNC(=O)[C@H](NC(=O)c2cc3ccc(OC)cc3[nH]2)c2ccccc2)cc1 95471335 ZTHFAPVUEPWEKO-XMMPIXPASA-N 443.503 3.973 0 40 IHAB C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1)[C@@H]1C[C@H]2CC[C@H]1C2 102364304 IMQYQOPEHMAFJJ-ARZBDZIHSA-N 438.593 3.988 0 40 IHAB CCN(CC)C(=O)CSc1nc2ccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2s1 105324368 WPDPAASOWKBDSX-GJZGRUSLSA-N 431.583 3.936 0 40 IHAB CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](NC(=O)C1CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC1)C2 107325073 VBIMVPWQQQESTK-MPHOGZCYSA-N 440.556 3.697 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3c(C)cc(C)cc3C)C2)cc1OC 108258566 QVWQQRIJXNKIDO-GOSISDBHSA-N 446.569 3.668 0 40 IHAB COc1ccc(NC(=O)CN(c2ccc(C(F)(F)F)cc2)S(C)(=O)=O)cc1Cl 220043515 POYUMDBQIDJOBG-UHFFFAOYSA-N 436.839 3.772 0 40 IHAB C[C@@H](C(=O)NCCSCc1cccc(Cl)c1)N(c1ccccc1F)S(C)(=O)=O 220298347 VZVIFGQVEJRHSK-AWEZNQCLSA-N 444.981 3.683 0 40 IHAB CCc1ccc(N(CCCC(=O)Nc2ccccc2C(=O)NC(C)C)S(C)(=O)=O)cc1 222643732 QDJBVHWIZZVXMV-UHFFFAOYSA-N 445.585 3.572 0 40 IHAB COCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 223205412 VYPSKUKXPYUCJN-VWLOTQADSA-N 448.538 3.771 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NCc3ccccc3Cl)o2)cc1 223401904 YLNDLDKDPUVZIP-UHFFFAOYSA-N 432.929 3.992 0 40 IHAB CN(c1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 224182047 GYTUAMYSCFGBPO-UHFFFAOYSA-N 443.912 3.516 0 40 IHAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1OC 224910524 IWZAVUFXTFZIEU-OAQYLSRUSA-N 442.556 3.662 0 40 IHAB COc1cccc(CN(C(=O)CCc2ccc(OC)c(OC)c2)[C@H](C)C(=O)NC(C)C)c1 225662922 LDOZTWQQFRQZNP-GOSISDBHSA-N 442.556 3.587 0 40 IHAB Cc1c(Cl)cccc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCCC[C@H]3C)nc(O)c21 253566808 JKGWUPUOQIYGCY-YPMHNXCESA-N 429.908 3.587 0 40 IHAB CC(C)(C)C(=O)NC[C@@](O)(c1ccccn1)[C@H]1CCCN(Cc2ccc(F)c(F)c2)C1 257201418 AHQLHOFDFITKKU-UUOWRZLLSA-N 431.527 3.622 0 40 IHAB COc1ccc(C)cc1CC(=O)N1CCC[C@H](c2n[nH]cc2C(=O)N2CCCCCC2)C1 257339896 ZDPKUFNUOJNYRA-IBGZPJMESA-N 438.572 3.692 0 40 IHAB COc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1S(=O)(=O)NC1CCCCC1 408674904 DUUUEDYCXSYMIJ-UHFFFAOYSA-N 445.541 3.517 0 40 IHAB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccc(C(=O)O)cc3)cc2)C1=O 409068472 SSJSWRDNPRWMBA-VBEHJTROSA-N 441.461 3.562 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3c(F)cccc3F)C2)cc1Cl 409393414 WJTLQAOURMTLDY-GFCCVEGCSA-N 444.887 3.666 0 40 IHAB O=C(O)C[C@@H]1CCN(S(=O)(=O)c2ccccc2)C[C@@H]1Cc1nc2cccc(Cl)c2[nH]1 514288550 HYWLMCZZVXAJIH-GJZGRUSLSA-N 447.944 3.561 0 40 IHAB biogenic,in-vitro Cc1c(C(=O)N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)nnn1-c1ccccc1Cl 552681775 NETAMWLXTBYHIC-XMMPIXPASA-N 435.959 3.967 0 40 IHAB Cc1cc(C)cc(C2(C(=O)N3CCOC[C@@H](Cc4ccc5n[nH]cc5c4)C3)CCOCC2)c1 585262092 VTPRRAJSTQZDNU-QFIPXVFZSA-N 447.579 3.946 0 40 IHAB Cc1cc(Nc2nc(C)cc(C)n2)cc([C@H]2CCCN(C(=O)/C=C/c3ccnn3C)C2)n1 585293145 YFRSXKLQXSLICW-UCFODXPJSA-N 431.544 3.693 0 40 IHAB CCOc1cc2c(cc1CNC(=O)N1CCC(CC(=O)NC3CCCC3)CC1)O[C@H](C)C2 619657534 NDGCOHQRAYTDOY-QGZVFWFLSA-N 443.588 3.779 0 40 IHAB CCc1cc(C(=O)N2CCC[C@]3(CCCCCOc4ccccc4C(=O)NC3)C2)on1 643559330 GITJFAXMQPUJSB-DEOSSOPVSA-N 425.529 3.842 0 40 IHAB CC(C)N1C(=O)c2ccccc2[C@H](C(=O)N(C)C)C12CCN(Cc1ccc(F)cc1)CC2 1549168110 TYHDPKJKGDPWER-HSZRJFAPSA-N 437.559 3.897 0 40 IHAB C[C@@H]1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H]2c2cccc(F)c2)C1 1693618351 YBVZUBLFDZUWKL-WWNBULGVSA-N 449.596 3.805 0 40 IHAB COc1ccc([C@@H]2C[C@]3(C)NC(=O)CCC[C@@H]3N2CC(=O)Nc2cc(C)ccc2F)cc1 1848354254 ZGUORVJSLQJUQL-HWBMXIPRSA-N 439.531 3.956 0 40 IHAB C[C@H](NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)c1ccccc1 665151 QASYVEKVUDEFJH-INIZCTEOSA-N 428.485 3.883 0 40 IHAB CCOc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@H]1c1cc(OC)ccc1OC 1241598 FFDZQWXGDYMPMZ-FQEVSTJZSA-N 427.526 3.534 0 40 IHAB CCOC(=O)C1=C(CSc2nc3ccccc3[nH]2)NC(=O)N[C@@H]1c1ccc(OC)cc1 1426391 CAHNXZQIVHCZDE-LJQANCHMSA-N 438.509 3.535 0 40 IHAB O=C1OCC2=C1[C@H](c1ccc3c(c1)OCO3)CC(=O)N2c1cccc(Br)c1 1427606 DVXXHNKGGJVETN-AWEZNQCLSA-N 428.238 3.509 0 40 IHAB O=C(O)C12C[C@@H]3C[C@H](C1)CC(n1ncc(NCCc4ccccc4)c(Cl)c1=O)(C3)C2 2354719 SQNYUQZVNJIZKC-WDXRGRCHSA-N 427.932 3.931 0 40 IHAB Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)cc1C 3441782 YODCYNUHYAELCP-UHFFFAOYSA-N 449.528 3.579 0 40 IHAB CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cccc(Cl)c3)cc2)CC1 4121795 ZJFXBXYYVNJAIP-UHFFFAOYSA-N 444.988 3.916 0 40 IHAB COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)N2Cc2cccnc2)cc1 6136678 YVUVJNNGNJHXQW-NRFANRHFSA-N 448.454 3.596 0 40 IHAB CCOC[C@H](CC(C)C)N(C)S(=O)(=O)c1ccc(Cn2c(C)nc3cnccc32)cc1 6145655 GFUNPHNHBVCVHW-FQEVSTJZSA-N 444.601 3.860 0 40 IHAB in-man COc1ccccc1N1CCN(C(=O)CN2CCC[C@@H]2c2nc3ccccc3s2)CC1 8892902 MYWQIDPHRDGPOF-HXUWFJFHSA-N 436.581 3.791 0 40 IHAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCCOc1ccc(Cl)cc1C 8944188 GYPGRCBFOFRVLM-UHFFFAOYSA-N 440.949 3.705 0 40 IHAB O=S(=O)(NC[C@@H](c1ccc(F)cc1)S(=O)(=O)c1cccs1)c1ccc(F)cc1 8968160 YGHMUOWGYGHSQU-KRWDZBQOSA-N 443.518 3.520 0 40 IHAB CCN(CC)CCCNC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c(C)n(C)c2ccccc12 9095119 JXUXWNFJMAJENL-AREMUKBSSA-N 446.595 3.880 0 40 IHAB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)c3cc(C)n(-c4nccs4)c3C)CC2=O)cc1 9125754 XGDPBZYKWRDJKA-KRWDZBQOSA-N 437.521 3.638 0 40 IHAB COc1ccc(C(=O)N/C(=C\c2ccccc2)C(=O)NCCc2nc3ccccc3[nH]2)cc1 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CCOC(=O)c1cccc(NC(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)c1 10441839 BWEXULLRHFRWSU-UHFFFAOYSA-N 438.505 3.944 0 40 IHAB CCCCOc1ccc(C(=O)N(CC)CC(=O)Nc2ccc(NC(C)=O)cc2)cc1OC 10702863 BAEOHFGLRNFZBR-UHFFFAOYSA-N 441.528 3.933 0 40 IHAB CC(C)n1nccc1NC(=O)[C@@H](C)OC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 12796851 LPGQMIBQTCTPKC-NVXWUHKLSA-N 446.935 3.540 0 40 IHAB Cc1ccc(NC(=O)CN2C(=O)C(C)(C)Oc3ccc(C(=O)NC(C)C)cc32)cc1Cl 12875847 WWSHJAKQUJIFIR-UHFFFAOYSA-N 443.931 3.929 0 40 IHAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)Nc1ccc(Br)cc1F 12903661 UGYNSLWIISGAOD-CYBMUJFWSA-N 432.297 3.800 0 40 IHAB Cc1cc(C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc(S(=O)(=O)N(C)C)c1C 12929897 FCDTXLNRHDDTOQ-UHFFFAOYSA-N 437.565 3.965 0 40 IHAB Cc1cc(C(=O)N(C)CC(=O)Nc2cccc(F)c2)c2cnn(Cc3cccs3)c2n1 12939210 LRSPISVQVPOXSF-UHFFFAOYSA-N 437.500 3.699 0 40 IHAB O=C(CSc1nnc(-c2ccco2)o1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 12974374 NTIQAWFMNJAXCU-OAHLLOKOSA-N 427.482 3.947 0 40 IHAB COC(=O)Cc1csc(NC(=O)Cc2c(C)c3c(cc(C)c4c(C)coc43)oc2=O)n1 13548533 DOPPVRMBAYIFHQ-UHFFFAOYSA-N 440.477 3.818 0 40 IHAB COc1ccc(OC)c([C@@H]2CC(=O)Nc3nc(SCc4ccc(F)cc4)[nH]c(=O)c32)c1 13567401 ZVMOWMBQICWEDW-INIZCTEOSA-N 441.484 3.693 0 40 IHAB COc1ccc(C(=O)O)cc1NC(=O)/C(=C/c1ccccc1F)NC(=O)c1ccccc1 13575795 MHAQBURIKKXPNJ-MOSHPQCFSA-N 434.423 3.942 0 40 IHAB COc1ccc(Cc2nnc3sc(-c4cncc(Br)c4)nn23)cc1OC 13682174 OMBNJBRCHISNRT-UHFFFAOYSA-N 432.303 3.618 0 40 IHAB CNC(=O)c1cccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccs2)c1 14244214 QIZBHKUXVUEZMP-FQEVSTJZSA-N 446.532 3.569 0 40 IHAB Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1Cl 14428793 RRXMVDCDYCNXHF-UHFFFAOYSA-N 429.325 3.575 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccc(OCc3cc(=O)n4cc(C)ccc4n3)cc2)cc1 15865518 PIRRTLRBEDXIBB-UHFFFAOYSA-N 435.505 3.691 0 40 IHAB COc1cc(OC)cc(C(=O)Nc2nc(CC(=O)NCc3ccccc3Cl)cs2)c1 15881024 LQCAWTHUNDQRON-UHFFFAOYSA-N 445.928 3.925 0 40 IHAB COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OC 18208581 VARQVJBNNLKMKN-ZLNRFVROSA-N 448.450 3.894 0 40 IHAB O=C(CCC(=O)N1CCN(Cc2ccc(Br)s2)CC1)c1cccs1 18826474 UVBGMXWYKUINIZ-UHFFFAOYSA-N 427.389 3.879 0 40 IHAB Cc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@@H](O)c3ccc4c(c3)OCCCO4)CC1)O2 19219291 CDRIOIPMAHWFRW-LEWJYISDSA-N 425.525 3.540 0 40 IHAB O=C(CCn1cccn1)N1CCc2nc(-c3cccnc3)nc(Nc3ccc(F)cc3)c2C1 19341155 DGXYCEFYKQXOCJ-UHFFFAOYSA-N 443.486 3.593 0 40 IHAB COc1ccccc1C(=O)N[C@@H](Cc1cc(=O)[nH]c(-c2ccccn2)n1)c1ccccc1 19568909 COXLTBVHHQGAAU-NRFANRHFSA-N 426.476 3.554 0 40 IHAB COc1ccc(NC(=O)[C@H]2C[C@@H](C3CCN(Cc4ccccc4OC)CC3)N(C)C2)cc1 19587709 CGGRSJSDHFWMTR-URXFXBBRSA-N 437.584 3.875 0 40 IHAB CNc1cc([C@H]2CCCN(C(=O)Cc3ccc(OC)c(F)c3)C2)nc(-c2cccnc2)n1 19592166 RLAXGAUZNIZBFM-SFHVURJKSA-N 435.503 3.677 0 40 IHAB CN(Cc1cccc(-c2cccc(F)c2)c1)Cc1nc([C@H]2CC(=O)N(C)C2)cc(N(C)C)n1 19700940 IPJOXSLICOCKCX-NRFANRHFSA-N 447.558 3.926 0 40 IHAB O=C1CCCC[C@@H]2[C@H](CCN2Cc2ccnc(N3CCCC3)n2)N1Cc1ccccc1F 19713122 OBMGXSKYDQLOGZ-PKTZIBPZSA-N 437.563 3.762 0 40 IHAB O=C(c1cc([C@H]2CN(CCCc3ccccc3)CCO2)nc2ccccc12)N1CCOCC1 19759185 HEYFTCAHANTEDY-AREMUKBSSA-N 445.563 3.713 0 40 IHAB COc1ccc(NC(=O)c2cnc([C@@H]3CCN(C(=O)Cc4ccc(F)cc4)C3)nc2C)cc1 19766224 NRTLCHQXDFIBTQ-GOSISDBHSA-N 448.498 3.744 0 40 IHAB COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc(F)c2)cc1C 20008739 XBPNLWQDUNBKJP-OAQYLSRUSA-N 442.512 3.671 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N[C@H]2CCCc3ccccc32)c(C)c1 20022723 KMKZIWAKYMDQRJ-NRFANRHFSA-N 430.570 3.598 0 40 IHAB CCOC(=O)c1cc(NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)ccc1Cl 20105225 WPFJUWWDIVTHTP-UHFFFAOYSA-N 438.933 3.538 0 40 IHAB CN(C)C(=O)[C@@H]1CN(C(=O)CCc2ncc(-c3ccccc3Cl)o2)c2ccccc2O1 22281976 VTXDDANZOOAWNB-FQEVSTJZSA-N 439.899 3.810 0 40 IHAB Cc1ccccc1NC(=O)CSc1nnc2nc(O)c(-c3ccc(Cl)cc3)nn12 22720337 MRLUAIJSUSRSGW-UHFFFAOYSA-N 426.889 3.585 0 40 IHAB COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)N1CCN(Cc2cc(C)on2)CC1 22928424 UHSAXDLKOXFCLZ-XMMPIXPASA-N 434.540 3.798 0 40 IHAB O=C(Cn1nc2c(c1NC(=O)c1ccc(F)c(F)c1)CSC2)NCCc1ccccc1 23139658 CBTZCHCFKFYDHI-UHFFFAOYSA-N 442.491 3.519 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(COc4ccccc4)o3)C2)cc1C 23140411 XLVXVRJTTVPQTH-GOSISDBHSA-N 427.526 3.834 0 40 IHAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)CCSc2ccc(F)cc2)CC1 24286604 ZNTTUTWNMDLSKY-UHFFFAOYSA-N 430.501 3.914 0 40 IHAB O=C(CCCNC(=O)NC1CCCCC1)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 24564307 HTTYVHNWRYDORX-JOCHJYFZSA-N 437.588 3.837 0 40 IHAB C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)N1CCN(C(=O)c2cccs2)CC1 24671880 JXZWGKVKFCOXTC-CYBMUJFWSA-N 425.526 3.848 0 40 IHAB C[C@H](Sc1nc(CN2CCOCC2)nc2ccccc12)C(=O)N1CCc2ccccc2C1 24984783 YMANWECCLDAVBN-SFHVURJKSA-N 448.592 3.528 0 40 IHAB Cc1ccc(C(=O)N(Cc2ccc(Br)cc2)C2CC2)cc1NS(C)(=O)=O 25089490 CGHUAHKHWFUGOE-UHFFFAOYSA-N 437.359 3.934 0 40 IHAB O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)N1CCC(Cc2ccccc2)CC1 26521052 SEHKTWGTQBVONC-XMMPIXPASA-N 425.548 3.863 0 40 IHAB CCOC(=O)c1c(NC(=O)CNCCCc2ccccc2)sc2c1CC(C)(C)OC2 26806027 PXJCWLIXUFGELF-UHFFFAOYSA-N 430.570 3.937 0 40 IHAB CC(C)[C@H](NC(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C)c1cccs1 29788874 OSBKWEMRUUZUNG-GMAHTHKFSA-N 425.554 3.951 0 40 IHAB CCn1c2ccccc2c2cc(NC(=O)[C@@H]3CN(S(C)(=O)=O)c4ccccc4O3)ccc21 30755192 XHJACGXYXOUTQA-QHCPKHFHSA-N 449.532 3.980 0 40 IHAB Cc1sc(NC(=O)c2cccc(CN3C(=O)CNC3=O)c2)nc1-c1ccc(F)c(F)c1 32902344 JDYXPQPYAPODRJ-UHFFFAOYSA-N 442.447 3.701 0 40 IHAB Cc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@@H]3[C@H]3CCCN32)cc1 35895196 OCUFAWVLMNSZOB-YSTOQKLRSA-N 442.437 3.849 0 40 IHAB Cc1cc(C(=O)N2CCN(Cc3ccccc3F)CC2)c2cnn(-c3ccccc3F)c2n1 36617016 OPQRMUXULSTNLA-UHFFFAOYSA-N 447.489 3.965 0 40 IHAB CCCN(C(=O)c1ccccc1-c1ccc(Cn2cccn2)cc1)[C@@H]1CCS(=O)(=O)C1 40050859 GKFODMLHNWIEDT-OAQYLSRUSA-N 437.565 3.638 0 40 IHAB Cc1ccc(C)c(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4cccc(Cl)c4)[nH]c(=O)c32)c1 40399415 ACRXNAZMDKCLHG-OAHLLOKOSA-N 437.887 3.848 0 40 IHAB CSc1cccc(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 44786580 SJUHFUXIZHSKKW-QGZVFWFLSA-N 426.947 3.618 0 40 IHAB CCCc1noc(-c2cc(S(=O)(=O)N(CC)Cc3ccc(OC)cc3)ccc2OC)n1 46020229 HJFGOARCYVKPHN-UHFFFAOYSA-N 445.541 3.917 0 40 IHAB CC(=O)Nc1cccc2c1CCCN2C(=O)[C@H](CC(C)C)N1C(=O)c2ccccc2C1=O 48309978 ADARYENVURAAQK-QFIPXVFZSA-N 433.508 3.635 0 40 IHAB COc1cccc([C@@H]2[C@H](Oc3ccccc3Cl)C(=O)N2CCCCN2CCOCC2)c1 48342260 GOJMGXOMMKGWMT-PKTZIBPZSA-N 444.959 3.792 0 40 IHAB Cc1nc2sccc2c(=O)n1NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 49590273 KRQKTYZFLSIZRJ-UHFFFAOYSA-N 446.532 3.542 0 40 IHAB CN(Cc1nccn1CC(F)(F)F)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 60381510 ZVTCJRBYBUEHFS-UHFFFAOYSA-N 435.777 3.938 0 40 IHAB CCOc1ccc(CN2CCC([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)CC2)cc1OC 72395699 WHRPJWYOBAFUSI-QFBILLFUSA-N 439.482 3.885 0 40 IHAB O=C1CC[C@@H](C(=O)Nc2ccc3oc(-c4cc(F)ccc4Br)nc3c2)CN1 84459585 WFLZYKLDFZJMFU-SNVBAGLBSA-N 432.249 3.861 0 40 IHAB Cc1ccc(-c2ccc(C(=O)NC[C@H]3CCCN(c4nccn5cnnc45)C3)c(F)c2)cc1 89641036 VWRJBVGJMRUMQV-GOSISDBHSA-N 444.514 3.885 0 40 IHAB CN(C)Cc1ccc(N2CCN(C(=O)c3cccc(NC(=O)C4CCCCC4)c3)CC2)nc1 95959739 PNFGVLIFRXTLQM-UHFFFAOYSA-N 449.599 3.624 0 40 IHAB COc1cc(/C=C2/N=C(c3ccc(N4CCCC4=O)cc3)OC2=O)cc(Cl)c1OC 96892216 VZZCHPAJMOFACX-GZTJUZNOSA-N 426.856 3.829 0 40 IHAB O=C(CCNS(=O)(=O)c1ccccc1)Nc1ccccc1C(=O)c1ccc(Cl)cc1 97165869 DNBODUMBBWAQJX-UHFFFAOYSA-N 442.924 3.878 0 40 IHAB CC(=O)c1cccc(OC(=O)c2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H]([C@H]6C[C@H]56)[C@H]4C3=O)cc2)c1 101222558 QSAUNIFIEJHIJN-UKIRVEGOSA-N 427.456 3.666 0 40 IHAB C[C@@H]1CN(C(=S)S[C@@H]2CC(=O)N(c3ccc(Cl)cc3Cl)C2=O)C[C@@H](C)O1 215685218 SJYOMKDOCATNDX-GPCCPHFNSA-N 433.382 3.753 0 40 IHAB CCOc1ccccc1CCCNC(=O)COc1ccc(I)cc1 219834281 INAKOTVXZQXPOH-UHFFFAOYSA-N 439.293 3.818 0 40 IHAB O=C(Nc1nnc(S(=O)(=O)NC2CCCCC2)s1)c1ccc(Cl)cc1Cl 223124546 MWVCSCSOEODXIO-UHFFFAOYSA-N 435.358 3.708 0 40 IHAB CCOCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)C(C)C 223204027 LJLADNLPCYAYIA-QHCPKHFHSA-N 428.548 3.964 0 40 IHAB CC[C@H](C(=O)NCCOc1ccc2ccccc2c1)N(c1ccccc1F)S(C)(=O)=O 223632866 XHMCYUFKIIOLEG-OAQYLSRUSA-N 444.528 3.719 0 40 IHAB Cc1cc(C)cc(OCCNC(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)c1 224096711 XOULIRMYLJHAKX-UHFFFAOYSA-N 438.977 3.698 0 40 IHAB C[C@@H](COc1ccccc1)NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2F)c1 224164308 TWBFNFFWZHLAMS-KRWDZBQOSA-N 442.512 3.848 0 40 IHAB CCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(OC)c(OC)c1 224586812 VUVVNEYNOYMNAN-NRFANRHFSA-N 442.556 3.589 0 40 IHAB CCC(=O)N1CCc2cc(S(=O)(=O)NCCSCc3ccccc3Cl)ccc21 224778827 GQNXNZBXYHQXCL-UHFFFAOYSA-N 439.002 3.851 0 40 IHAB COc1cc(N(CC(=O)O)S(=O)(=O)c2ccc3ccccc3c2)c(OC)cc1Cl 225067692 KPERYEJDGDVGLV-UHFFFAOYSA-N 435.885 3.790 0 40 IHAB O=C(Nc1ccccc1F)c1cc(C2CCN(C(=O)Cc3noc4ccccc34)CC2)n[nH]1 225561298 ABMWKQJRIKXKST-UHFFFAOYSA-N 447.470 3.891 0 40 IHAB O=C(Nc1sc2c(c1C(=O)N1CCCCC1)CCCC2)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)O 225759109 FAUADYRSRSQEFX-IHETXDGRSA-N 428.554 3.714 0 40 IHAB O=C1[C@H]2OC[C@@H](O2)[C@@H]2[C@H]1[C@H]1C=Cc3ccccc3N1[C@H]2C(=O)C12CC3CC(CC(C3)C1)C2 229977066 XXTVWAHGGFLWMY-IOHQLXOCSA-N 431.532 3.613 0 40 IHAB biogenic,in-vitro CC(=O)N[C@@H](C(=O)N1CC[C@H]2O[C@H]3c4ccc(C)cc4OC(C)(C)[C@@H]3C[C@H]2C1)C(C)C 257315841 VCZCMTSFZZBPSO-JOCFFJSCSA-N 428.573 3.621 0 40 IHAB COC(=O)CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)C1=O 408549290 SCAXFVITDABWNI-CXUHLZMHSA-N 435.263 3.638 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NC2CCCCCCC2)CC1 408585305 YPVKBOKODMPVSC-UHFFFAOYSA-N 443.009 3.978 0 40 IHAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccccc2SC)cc1Cl 408607906 QYHUKPBRUMWCJK-LBPRGKRZSA-N 428.963 3.766 0 40 IHAB Cc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(N3CCOCC3)cc2)C1=O 409142153 LOAOJVCWKCYNIU-XSFVSMFZSA-N 437.521 3.507 0 40 IHAB COC(=O)c1ccc(Cl)c(NC(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 409412069 QSYVIJCSZAGKCZ-AWEZNQCLSA-N 438.933 3.537 0 40 IHAB O=C1c2ccccc2N2C(=O)CC[C@]2(C(=O)NCc2ccsc2)N1Cc1ccccc1 544687413 ZCAVQBQUVJRPBL-DEOSSOPVSA-N 431.517 3.544 0 40 IHAB C[C@]1(NC(=O)[C@H]2CCC(=O)c3ccccc32)CCN(C(=O)[C@H]2CCC(=O)c3ccccc32)C1 647728425 CMJQZLWGKBPFQH-BERHBOFZSA-N 444.531 3.614 0 40 IHAB Cc1noc(C)c1CC(=O)N1CCC(c2ccc3cc(-c4cncnc4)cnc3n2)CC1 1891515631 TXQXTPLPVCNSLG-UHFFFAOYSA-N 428.496 3.640 0 40 IHAB Cc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(C)cc2C(=O)c2ccccc2)cc1 2300169 VDYWZWHANFYWOC-UHFFFAOYSA-N 436.533 3.842 0 40 IHAB O=C(Nc1nc2c(F)c(F)c(F)cc2s1)c1ccc(S(=O)(=O)N2CCCC2)cc1 3234381 PONKBZIHYQFSQH-UHFFFAOYSA-N 441.456 3.750 0 40 IHAB CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)CNCc1ccco1 3306102 MFKYFUNMZPBMBX-UHFFFAOYSA-N 444.509 3.930 0 40 IHAB CCn1cc(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)c(=O)c2ccc(C)nc21 3392449 GBWNGQQLDBVIEM-UHFFFAOYSA-N 442.523 3.962 0 40 IHAB COc1ccc(-n2c(S[C@@H](C)C(=O)NC(C)C)nnc2[C@H](C)N2CCCCC2)cc1 8132735 DNMRWDXJIFDNDT-IRXDYDNUSA-N 431.606 3.828 0 40 IHAB CCS(=O)(=O)c1ccc2oc(SCC(=O)NC34CC5CC(CC(C5)C3)C4)nc2c1 8829604 NUYDRUODEKYWAI-UHFFFAOYSA-N 434.583 3.799 0 40 IHAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 9052570 XUGBNKQSARVFSD-HNNXBMFYSA-N 429.567 3.914 0 40 IHAB COC(=O)C1=C(C)Nc2nc(SCc3ccccc3F)[nH]c(=O)c2[C@@H]1c1cccnc1 9393893 KJMDVLWPVXHOPW-QGZVFWFLSA-N 438.484 3.601 0 40 IHAB Cc1ccc(NC(=O)CSc2nnc(-c3cc(-c4ccc(F)cc4)n[nH]3)n2N)c(C)c1 9448906 CESDFQRBYADXTK-UHFFFAOYSA-N 437.504 3.536 0 40 IHAB O=C(CSc1ccc2nnc(-c3cccnc3)n2n1)Nc1ccc(OC(F)(F)F)cc1 9599826 BXUSWWCKQJMICN-UHFFFAOYSA-N 446.414 3.816 0 40 IHAB O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2oc3ccccc3c21)Nc1ccccc1F 9603148 VYNPVMSFVWMNPI-UHFFFAOYSA-N 429.407 3.676 0 40 IHAB CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(F)c3)C(=O)N2C2CC2)cc1 9846545 SGVAGDQNNBFRJL-FQEVSTJZSA-N 425.460 3.943 0 40 IHAB COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCCSc2nccn2C)cc1 9868315 CUXHTHIZBBPVRI-UHFFFAOYSA-N 447.564 3.863 0 40 IHAB COc1ccc(NC(=O)CCCN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1OC 10338014 OENYQXYOEVWWKA-UHFFFAOYSA-N 440.949 3.851 0 40 IHAB COc1cc(NC(=O)COc2ccc(I)cc2)c(OC)cc1Cl 11574195 HLVZUKNJBFKYPN-UHFFFAOYSA-N 447.656 3.979 0 40 IHAB COc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 11996862 IKNALHUTTROKCV-QGZVFWFLSA-N 445.928 3.824 0 40 IHAB Cc1nc(-n2nc(C3CC3)cc2NC(=O)COc2ccc3ccccc3c2)[nH]c(=O)c1C 12127139 LKBAZUDEYSZKQY-UHFFFAOYSA-N 429.480 3.621 0 40 IHAB COc1cccc(C(=O)N2CCN(c3cc(Oc4ccccc4)nc(C)n3)CC2)c1OC 12223794 ZGQXSIJDAMDUSK-UHFFFAOYSA-N 434.496 3.557 0 40 IHAB CCc1nc2sc([C@H](c3ccc(C(F)(F)F)cc3)N3CCC(O)CC3)c(O)n2n1 12341972 VORWUONUYDOEOB-HNNXBMFYSA-N 426.464 3.624 0 40 IHAB Cc1nnc2sc(-c3ccc(CNC(=O)c4cccc(Br)c4)cc3)nn12 12345856 VYXIMRGHOAVNPC-UHFFFAOYSA-N 428.315 3.854 0 40 IHAB O=C(c1ccc(-c2ccccc2Cl)o1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 13000587 POWAZWPZGMNYSZ-UHFFFAOYSA-N 448.903 3.886 0 40 IHAB CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)Oc3ccc(Cl)cc3C)CC2)c1 15655395 FQAQKRGKCJUPLI-UHFFFAOYSA-N 435.929 3.857 0 40 IHAB COc1ccc(NC(=O)N2Cc3nc[nH]c3C[C@H]2c2nc(-c3ccc(OC)cc3)no2)cc1 15675993 XXQHGCQXQJSSQR-FQEVSTJZSA-N 446.467 3.808 0 40 IHAB biogenic,in-vitro Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)N[C@H](CN1CCOCC1)c1ccccc1 16175763 BXTRKMKGPONCIO-AKNQKSQZSA-N 430.552 3.692 0 40 IHAB CCCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3ccc4c(c3)CCCC4)ccc21 17287033 LDGZTZZVAYUGFT-UHFFFAOYSA-N 448.610 3.859 0 40 IHAB CCc1c(C)nc(-n2nc(C)cc2C)n(CC(=O)Nc2ccc(C(F)(F)F)cc2)c1=O 17316989 UAWXKORTWBJFJL-UHFFFAOYSA-N 433.434 3.574 0 40 IHAB O=C1C[C@@H](N2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1ccc(SC(F)F)cc1 17877439 VHSSTNSPWVRFTO-GOSISDBHSA-N 435.471 3.595 0 40 IHAB COc1cc2c(cc1OC)CN(C(=O)COc1cc3oc(=O)cc(C)c3cc1Cl)CC2 19132662 SJSYXSRPJQENOU-UHFFFAOYSA-N 443.883 3.736 0 40 IHAB Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc3nc4c(c(O)n3n2)CN(C(C)C)CC4)cc1 19135378 QGHHUVGOJBTJFH-JOCHJYFZSA-N 433.556 3.877 0 40 IHAB Cc1cccc2[nH]c(C(=O)N3CCCC[C@H]3c3nc4c(c(=O)[nH]3)CN(C(C)C)CC4)cc12 19236670 GYEBSURTENLBON-QFIPXVFZSA-N 433.556 3.694 0 40 IHAB Cn1c(C(=O)N2C[C@@H](c3ccccn3)[C@@]3(CCCCC(=O)N3)C2)cc2cc(Cl)ccc21 19289769 BINOFDKGDWXAQM-MHECFPHRSA-N 436.943 3.895 0 40 IHAB COc1cc(CN2CCC[C@@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)c(Cl)cc1O 19594925 CRLOVLSYBDZEBY-GFCCVEGCSA-N 445.368 3.886 0 40 IHAB Cc1cc2ccccc2n1CC(=O)N1CCC[C@H](c2ccc(-c3cnc(N)nc3)cn2)C1 19689201 CRTSOVDFBNYTSW-FQEVSTJZSA-N 426.524 3.790 0 40 IHAB COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCCN2C(=O)c2n[nH]c3c2CCCC3)c1 19689453 XTRTWGSTERJINI-OAQYLSRUSA-N 446.555 3.797 0 40 IHAB COc1cccc(CN2CCCc3c(C)nc([C@H]4CCCN(Cc5cnn(C)c5)C4)nc32)c1 19706944 ZGOWCZHACFASSJ-QFIPXVFZSA-N 446.599 3.860 0 40 IHAB O=C(CN1CCC([C@@H]2CCCCN(CCc3ccccc3)C2=O)CC1)Nc1nccs1 19744026 GXKYTWIHDWAZGL-NRFANRHFSA-N 440.613 3.665 0 40 IHAB O=C(N[C@H]1CCCc2ccccc21)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 20482448 CBDJJCDDVWVROQ-NRFANRHFSA-N 432.973 3.935 0 40 IHAB COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(C(C)=O)cc3)o2)cc1OC 20759968 QOGVAVGWUZGKRL-UHFFFAOYSA-N 427.482 3.611 0 40 IHAB COc1ccc(C(=O)Nc2ccc(C(=O)OCc3cc(=O)n4cc(C)sc4n3)cc2)cc1 21633342 YOSPYQCODOMKGD-UHFFFAOYSA-N 449.488 3.682 0 40 IHAB COc1ccc(Cl)cc1NC(=O)Cn1nc(C2CC2)c2cnn(-c3ccccc3)c2c1=O 22767931 WPWUYABMBLHHDB-UHFFFAOYSA-N 449.898 3.760 0 40 IHAB O=S(=O)(c1ccc(NCCC(c2ccccc2)c2ccccc2)nc1)N1CCOCC1 23295780 YDOHCCMBTICWKZ-UHFFFAOYSA-N 437.565 3.737 0 40 IHAB Cc1noc(C)c1COc1ccc(CC(=O)N2CCN(Cc3ccsc3)CC2)cc1 23417439 BAKGDDPNJHAOQC-UHFFFAOYSA-N 425.554 3.819 0 40 IHAB CCNC(=O)c1c(N[C@@H](NC(=O)OCC)C(=O)c2ccccc2)sc2c1CCCC2 27017121 AXMNZUNSBZUWMT-IBGZPJMESA-N 429.542 3.744 0 40 IHAB Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N2CCN(CC(=O)N3CCCCC3)CC2)c1 27376136 BRXZNIWHAPLFMN-AREMUKBSSA-N 448.611 3.613 0 40 IHAB CN(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 30753168 FKMDOEBJTAOJHC-UHFFFAOYSA-N 445.766 3.527 0 40 IHAB COc1ccc(CCNC(=O)[C@H](C)NC(=O)c2ccc3nc(-n4cccc4)sc3c2)cc1 32103402 UOALPARAMBKESE-INIZCTEOSA-N 448.548 3.573 0 40 IHAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N3CCN(Cc4ccccn4)CC3)cc12 32837342 KVFFYASQOVZGJF-UHFFFAOYSA-N 449.555 3.947 0 40 IHAB O=C(c1ccccc1F)N1CCN(C(=O)c2cc(Br)ccc2Cl)CC1 32906105 SBULAZNRYKPTHM-UHFFFAOYSA-N 425.685 3.840 0 40 IHAB COc1ccc(NC(=O)CSc2nnc(NC(=O)c3ccc(F)cc3F)s2)cc1 35316125 DWEFPTKTMONDFY-UHFFFAOYSA-N 436.465 3.808 0 40 IHAB COC(=O)c1c(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)sc2c1CCC2 36614139 FZVFHKJDKACDCO-UHFFFAOYSA-N 437.521 3.712 0 40 IHAB O=C(Nc1cccc(OC(F)(F)F)c1)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 40057771 IQJJHOLSSSVYCJ-CVEARBPZSA-N 428.407 3.506 0 40 IHAB Cc1cccc(NC(=O)Cn2c(=O)n(CCc3ccccc3)c(=O)c3ccccc32)c1C 44839686 UOIPQNCXECSDOA-UHFFFAOYSA-N 427.504 3.661 0 40 IHAB C[C@H]1CN(c2ccc(NC(=O)N(C)Cc3cnn(Cc4ccccc4)c3)cn2)C[C@H](C)O1 48252543 AOFZPKMJWZSDCW-OALUTQOASA-N 434.544 3.604 0 40 IHAB CCOC(=O)[C@@H]1CCCCN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 48285969 WCOKMAPTKMYUEL-LBPRGKRZSA-N 445.162 3.862 0 40 IHAB COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCN(c2ccc(Cl)cc2)CC1 57050674 WTLSKEINIUBMOV-UHFFFAOYSA-N 440.931 3.677 0 40 IHAB CCc1cc(=O)n(CC(=O)Nc2cc(OC)cc(OC)c2)c(-c2cccc(Cl)c2)n1 57527684 LKWAKWYQFOIPPW-UHFFFAOYSA-N 427.888 3.782 0 40 IHAB Cc1ccc(F)cc1-n1c(=O)c2sccc2n(CC(=O)Nc2ccc3c(c2)CCC3)c1=O 67218293 CKQSFXKPJQSQHO-UHFFFAOYSA-N 449.507 3.789 0 40 IHAB CCc1cccc(C)c1NC(=O)Cn1cnc2nc(N3CCC[C@H](C)C3)sc2c1=O 67226211 ACZCXKUKTXYFPD-AWEZNQCLSA-N 425.558 3.599 0 40 IHAB C[C@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CCN(c5cccc(Cl)c5)CC4)[C@H]3[C@H](O)[C@@]21C 70670116 HXHILYRRLVJUGI-LABLHSEPSA-N 445.003 3.747 0 40 IHAB C[C@@H]1CC[C@@H]2N(C[C@H]3[C@@H]4C[C@H]5[C@H](CC(=O)[C@H]6C[C@@H](O)CC[C@@]65C)[C@@H]4CC[C@H]3[C@]2(C)O)C1 70707831 IQDIERHFZVCNRZ-DOSBOWFQSA-N 429.645 3.886 0 40 IHAB COC(=O)[C@@H](Cc1c[nH]c2ccc(Br)cc12)NC(=O)c1ccc(F)c(C)c1 72306773 KVSUODGPOYXNLG-GOSISDBHSA-N 433.277 3.892 0 40 IHAB COc1cc2c(cc1OC)[C@H]1c3ccccc3N(CC(=O)N3CCCC[C@H]3C)C(=O)N1CC2 72342047 AKWSFBXTLTWRBN-CRICUBBOSA-N 449.551 3.992 0 40 IHAB CCn1nc(C)c(CN2CCC(c3nc(C)c4c(n3)N(CC(C)C)C(=O)CC4)CC2)c1C 72371173 IXUQWJXFYWSXAG-UHFFFAOYSA-N 438.620 3.933 0 40 IHAB COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CCCN2S(=O)(=O)c2ccccc2)c1 72376609 RKQJLQUGUZHZEH-NRFANRHFSA-N 438.553 3.744 0 40 IHAB O=C(CCCOc1ccccc1F)N1CCC[C@@H](c2cc(C(F)F)n3ncnc3n2)C1 72395378 DIZANJPSQVOMJG-CQSZACIVSA-N 433.434 3.766 0 40 IHAB O=C(O)c1cc(S(=O)(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)ccc1F 78714132 BJIKJAPXMGPCKZ-UHFFFAOYSA-N 436.848 3.952 0 40 IHAB O=C(Nc1cc(Cl)cc(Br)c1OC(F)F)C(=O)N1CCCSCC1 89762087 URJDBSRMETXSST-UHFFFAOYSA-N 443.697 3.608 0 40 IHAB COc1ccc2c(C)c(CCC(=O)NCCCc3nc4ccccc4n3C)c(=O)oc2c1C 96222264 VZKVCJUBXDHABK-UHFFFAOYSA-N 447.535 3.987 0 40 IHAB biogenic COC(=O)[C@@]1(c2ccccc2)N[C@H](c2ccccc2C)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 100421358 SVOQZGUANHTOFH-TZKYFUQOSA-N 440.499 3.514 0 40 IHAB COc1ccc(CN[C@H](c2cc(O)n3nc(C4CCOCC4)cc3n2)C(C)C)cc1OC 100730055 JCAOFSIXCNWWME-DEOSSOPVSA-N 440.544 3.833 0 40 IHAB CCOc1ccc(COc2ccc(N3C(=O)[C@@H]4[C@@H]5CC[C@H](O5)[C@@H]4C3=O)cc2)cc1OCC 102445132 RTAQEHIFPNSBIV-BAMDZGJYSA-N 437.492 3.730 0 40 IHAB C[C@H](C(=O)Nc1ccccc1N1CCCC1=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 106113003 NKUMNROOTGMRFJ-IIBYNOLFSA-N 427.932 3.867 0 40 IHAB O=S(=O)(c1cccc2cccnc12)N1CCC[C@@H](Cc2nc(-c3ccsc3)no2)C1 207018244 OFMQDZOABSFECH-HNNXBMFYSA-N 440.550 3.990 0 40 IHAB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OC)c(OC)c3)C2=O)cc1 210815932 MFZXRWBEPMVHNZ-XDHOZWIPSA-N 442.493 3.778 0 40 IHAB C[C@H](C(=O)NCc1cccc(C(F)(F)F)c1)N(c1cccc(Cl)c1)S(C)(=O)=O 223351955 KVAKJVSTDKSDAH-GFCCVEGCSA-N 434.867 3.830 0 40 IHAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(OC)cc1 223878179 VAKYLFFAEJEYLV-AWEZNQCLSA-N 439.339 3.934 0 40 IHAB CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1ccc(Br)c(C)c1 224080549 PBQPXGRYFYKKRI-QGZVFWFLSA-N 447.373 3.732 0 40 IHAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-n3cnnc3)c2C)cc1 224195765 DBDONLINHFSYAI-FCHUYYIVSA-N 429.553 3.888 0 40 IHAB O=C(NCCCSCc1ccccc1F)c1ccc(N2CCCCS2(=O)=O)cc1 224382307 ZZUAKTBUGKWZQX-UHFFFAOYSA-N 436.574 3.809 0 40 IHAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NC(C(C)C)C(C)C)cc2)cc1 224438579 FNYBUSVJISFIQY-UHFFFAOYSA-N 432.586 3.926 0 40 IHAB CCC(=O)Nc1nnc(S(=O)(=O)Nc2ccc(CSc3ccccc3)cc2)s1 225815487 LDGNSQNNMUNDSR-UHFFFAOYSA-N 434.568 3.980 0 40 IHAB Cc1ccn2c(CN3CCO[C@H](c4cccc(-c5cccc(C(N)=O)c5)n4)C3)c(C)nc2c1 257231629 GHNWHMCNYISDQL-DEOSSOPVSA-N 441.535 3.686 0 40 IHAB CO[C@H]1CC[C@H](C(=O)N[C@@H](Cc2cc(O)nc(-c3cccnc3)n2)c2ccccc2)CC1 257325282 WSGVWDDSZXACBF-NYVOZVTQSA-N 432.524 3.849 0 40 IHAB CC[C@H](C(=O)N[C@H](C)c1ccc(F)cc1)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 260511611 QYLSFQKAZNBXJY-CXAGYDPISA-N 442.940 3.910 0 40 IHAB C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1ccc2c(c1)CCCC2 260928791 KUPDHQTYAHCAKK-UTKZUKDTSA-N 444.572 3.983 0 40 IHAB O=C1N(Cc2ccncc2)CCO[C@]12CN(Cc1cccc(Cl)c1)C[C@H]2c1cccnc1 306144109 YWGVFYYMHKYUED-ZCYQVOJMSA-N 448.954 3.527 0 40 IHAB COc1cc(NC(=O)CCc2ccc(S(=O)(=O)NC(C)C)cc2)c(OC)cc1Cl 408593378 MNBDZQRKBNDWFH-UHFFFAOYSA-N 440.949 3.615 0 40 IHAB Cc1cc(Cl)ccc1NC(=O)CN(Cc1ccc(Br)cc1)S(C)(=O)=O 408604749 FQKGJVPPOYPDSQ-UHFFFAOYSA-N 445.766 3.811 0 40 IHAB CC(C)CNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(OC(C)C)cc2)C1 408614595 DZQBALIYVLGNAJ-SFHVURJKSA-N 437.540 3.851 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C)CC2)Cc2ccccc2)cc1 408635454 BMHAVFRQZAIGIA-UHFFFAOYSA-N 430.570 3.535 0 40 IHAB Cc1cccc(C)c1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 409136002 XIQIVDOKJFMPIH-OAHLLOKOSA-N 445.313 3.601 0 40 IHAB O=C(CN1C(=O)S/C(=C\c2c(F)cccc2Cl)C1=O)Nc1ccc2c(c1)OCCO2 409205260 GUWNFJAWQYUGIK-MFOYZWKCSA-N 448.859 3.925 0 40 IHAB COC(=O)c1cc(NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)ccc1Cl 409335998 QTHNZUBTLMOEDE-UHFFFAOYSA-N 446.912 3.685 0 40 IHAB CCc1cccc(C)c1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)c(C)c2)C1 409375086 FHUPMSPNDREBDG-LJQANCHMSA-N 430.570 3.914 0 40 IHAB CCN(CC)C(=O)C[C@@H]1CCN2C[C@@H]1C=CCOc1ccccc1CN(C(C)C)CC2=O 958317902 YIVBYZZCHZMSAL-VXKWHMMOSA-N 441.616 3.569 0 40 IHAB COc1ccc2[nH]c(=O)c(CN(Cc3nnnn3C3CCCCC3)C3CCCC3)cc2c1 927774 YIKCEIKOCWPHQR-UHFFFAOYSA-N 436.560 3.973 0 40 IHAB CC[C@H](C)[C@H](NC(=O)COc1ccc2c(=O)c(Oc3ccccc3)coc2c1)C(=O)OC 2090550 SZHWVGDRJNYEGJ-NYHFZMIOSA-N 439.464 3.668 0 40 IHAB biogenic O=C1c2ccc(Br)cc2C(=O)N1c1ccc(I)cc1 3014247 NALIVDMJNQOOAP-UHFFFAOYSA-N 428.023 3.854 0 40 IHAB Cc1sc2nc(COC(=O)c3cccc(I)c3)[nH]c(=O)c2c1C 3271556 HZLHHGWIDFZSBS-UHFFFAOYSA-N 440.262 3.563 0 40 IHAB C[C@H](OC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)C(=O)Nc1cccc(Cl)c1Cl 3279442 OEVPHVUWKBSUAI-NSHDSACASA-N 446.290 3.834 0 40 IHAB COc1cc2cc([C@H]3CC(c4ccco4)=NN3S(C)(=O)=O)c(Cl)nc2cc1OC 4171889 WOHXGVWAACVQRU-OAHLLOKOSA-N 435.889 3.609 0 40 IHAB O=C(NC1CCCCC1)N[C@H]1CCN2C(=O)c3cc(-c4ccsc4)ccc3NC(=O)[C@H]12 8296768 POCNPHOCWIFVMR-PMACEKPBSA-N 438.553 3.582 0 40 IHAB biogenic,in-vitro CCOc1ccc(NC(=O)CN(C)CC(=O)Nc2ccccc2SC)cc1OCC 8685365 HKTJKVFTQFRTBM-UHFFFAOYSA-N 431.558 3.715 0 40 IHAB C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N(C)Cc1ccc(Cl)s1 8749825 LQQMZQOIXFPXGV-AWEZNQCLSA-N 442.006 3.645 0 40 IHAB Cc1cccc(N2C[C@H](C(=O)Nc3nnc(SCc4cccnc4)s3)CC2=O)c1 8824633 GPJCQYLUHWLIQN-OAHLLOKOSA-N 425.539 3.525 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC3(c4ccccc4)CC3)CC2)cc1C 8851499 XVMSETWZUPZAAP-UHFFFAOYSA-N 426.582 3.552 0 40 IHAB CCCN1C(=O)[C@@](O)(CC(=O)c2ccc(OC)cc2OC)c2cc(Br)ccc21 8920198 YIHJTZSDKPUKON-OAQYLSRUSA-N 448.313 3.684 0 40 IHAB C[C@@H](NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1)c1ccc2c(c1)OCCO2 9222769 QLKVMECMRTZWBR-CYBMUJFWSA-N 436.493 3.959 0 40 IHAB CCCc1nnc2n1N[C@H](c1ccc(F)cc1)[C@@H](C(=O)Nc1cccc(OC)c1)S2 9239227 LKDRSZWOVUMVKH-MOPGFXCFSA-N 427.505 3.776 0 40 IHAB CCCCCOc1ccccc1/C=c1/sc2nc([C@@H]3COc4ccccc4O3)nn2c1=O 9346167 YIHDOGDQAFDBOB-LQOIVRHRSA-N 449.532 3.780 0 40 IHAB CCOC(=O)c1nn(-c2ccccc2)c(=O)c2c(NC(=O)c3ccc(OC)cc3)scc12 9381305 RNJHFKUBTQRDBW-UHFFFAOYSA-N 449.488 3.885 0 40 IHAB Cc1cc(CSc2ncccc2C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)no1 9449855 IZHHXIHHMUFPGU-UHFFFAOYSA-N 442.585 3.925 0 40 IHAB O=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2ccccc21)Nc1ccc(Cl)cc1 9616788 HDZZRMZHPJUAJO-UHFFFAOYSA-N 433.895 3.698 0 40 IHAB Cc1cccc(-n2c(SCc3nc(-c4ccccc4)no3)nnc2N2CCOCC2)c1 9644946 XOIRWWLEVVPMJN-UHFFFAOYSA-N 434.525 3.755 0 40 IHAB COc1ccc(Cl)cc1NC(=O)CSc1nnc2ccc(-c3ccccn3)nn12 9829171 REAGEDIVVDWQSS-UHFFFAOYSA-N 426.889 3.579 0 40 IHAB Cc1ccc(C2=NN(C(=O)Cn3nc(-c4cccs4)oc3=O)[C@@H](c3ccco3)C2)cc1 9834361 ZOIKEEIKHCFYSZ-QGZVFWFLSA-N 434.477 3.844 0 40 IHAB O=C(CNC(=O)c1ccc(Br)o1)N[C@@H](c1ccc(F)cc1)c1cccs1 10292082 NLSIEMBUIAPZEP-KRWDZBQOSA-N 437.290 3.878 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](c3ccccc3)C3CC3)CC2)c(C)c1 11214477 CZFAEVSRBPSBIF-HSZRJFAPSA-N 426.582 3.972 0 40 IHAB O=C(Cc1c(F)ccc(F)c1F)NC[C@H]1Cc2cc(Cl)cc(-c3ncccn3)c2O1 11881089 CVMBKXMWJGRYRZ-CYBMUJFWSA-N 433.817 3.877 0 40 IHAB COc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc2c(c1)N(C(=O)c1cccnc1)CC2 11906511 VKSIKCJKQFKAII-UHFFFAOYSA-N 437.521 3.711 0 40 IHAB Cc1ccc(CN(C(=O)c2cc(-c3ccc(Cl)cc3)on2)[C@H]2CCS(=O)(=O)C2)o1 11917554 ONHXUEBERKUXRX-INIZCTEOSA-N 434.901 3.726 0 40 IHAB COCCOc1cccc(CN2CCC[C@@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)c1 12182140 LVYZGHCRMQQGJJ-NZSAHSFTSA-N 439.482 3.503 0 40 IHAB CSc1cccc(NC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccccc3)c2=O)c1 12415851 OWWIEEDEZHTHOU-UHFFFAOYSA-N 442.562 3.659 0 40 IHAB CC(C)Sc1nc2ccccc2n1Cc1cccc(S(=O)(=O)N2CCOCC2)c1 12520352 VOJGPBUOPMUOBP-UHFFFAOYSA-N 431.583 3.606 0 40 IHAB COc1ccc(CN(C)C(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)c(OC)c1 12630938 GCLNAKSEBPLXTM-UHFFFAOYSA-N 440.521 3.777 0 40 IHAB O=C(Cc1ccc2c(c1)OCCO2)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 12639108 TVMLIJKTYPEFFS-UHFFFAOYSA-N 432.432 3.620 0 40 IHAB COc1ccccc1[C@H](CNC(=O)[C@@H](NC(=O)c1ccccc1F)C(C)C)N1CCCC1 12791918 FTDLFNIQEUXUTD-GMAHTHKFSA-N 441.547 3.542 0 40 IHAB O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 12895008 NUGJHTMBMIBKGG-VQHVLOKHSA-N 439.364 3.681 0 40 IHAB CC(=O)Nc1ccc2c(COC(=O)C3(CC(=O)NC(C)(C)C)CCCC3)cc(=O)oc2c1 12974388 ZUMUPXKTYINUJD-UHFFFAOYSA-N 442.512 3.660 0 40 IHAB COc1ccc(OC)c([C@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)c1 13513624 BXPASGIBSLOURW-VABKMULXSA-N 430.460 3.755 0 40 IHAB COc1ccccc1/C=C(\NC(=O)c1ccccc1)C(=O)Nc1cc(C(=O)O)ccc1OC 13575797 RCZRYKIMGCWVPN-ZHZULCJRSA-N 446.459 3.812 0 40 IHAB CC[C@@H](C(=O)Nc1ccc(Cl)c(C(=O)OC)c1)N(c1ccc(C)cc1)S(C)(=O)=O 13713759 VXDINRHYJAMDRO-SFHVURJKSA-N 438.933 3.618 0 40 IHAB COc1ccccc1NC(=O)c1ccc(NC(=O)COc2cccc(NC(C)=O)c2)cc1 14184152 ZMIWEONDINFKQL-UHFFFAOYSA-N 433.464 3.923 0 40 IHAB Nc1ccc(C(=O)OCC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)cc1[N+](=O)[O-] 15513316 PESUIVOALMLRMW-UHFFFAOYSA-N 429.448 3.834 0 40 IHAB COc1ccc(NC(=O)c2ccc(Cl)cc2F)cc1S(=O)(=O)N1CCCCC1 15587191 JGBAUJGHJQFZHM-UHFFFAOYSA-N 426.897 3.915 0 40 IHAB COc1ccc(CC(=O)NC[C@@H](c2cccs2)S(=O)(=O)c2ccc(OC)cc2)cc1 15780733 HMWUGSATOPSXLM-NRFANRHFSA-N 445.562 3.639 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCc2ccccc2)c2ccccc2F)cc1 16309655 CLSGXPGOZYSYGF-UHFFFAOYSA-N 426.513 3.688 0 40 IHAB CCC(=O)N[C@H]1c2ccccc2CC[C@]12CN(Cc1ccccc1)C[C@@H]2C(=O)NC(C)C 19499285 SPTBKQXXKNZLTF-NRRYGQPISA-N 433.596 3.843 0 40 IHAB COc1ccccc1C(=O)N[C@@H](Cc1cc(=O)[nH]c(-c2ccncc2)n1)c1ccc(F)cc1 19568915 STGMLEPJVNJHHO-NRFANRHFSA-N 444.466 3.693 0 40 IHAB COc1ccccc1-c1ccccc1C[C@H]1CN(C(=O)c2ccncc2)CCN(C)C1=O 19589628 JLKWOWDQHDZKAD-NRFANRHFSA-N 429.520 3.530 0 40 IHAB Nc1nc2c(cc1C(=O)N1CCCC1)CN(C(=O)c1ccccc1-c1ccccc1)CC2 19701065 GTHBVFJAOHJBCD-UHFFFAOYSA-N 426.520 3.765 0 40 IHAB Cc1cc(S(=O)(=O)N2CC[C@@H](c3c(C(=O)N(C)C)sc4ncccc34)C2)ccc1F 19702545 UISHABCVIWWHTQ-CQSZACIVSA-N 447.557 3.624 0 40 IHAB Cc1nonc1CC(=O)N1CCCC[C@@H]1c1nc(C)c2c(n1)N(Cc1ccccc1)CCC2 19706264 YJYLTTIGQCBCQC-JOCHJYFZSA-N 446.555 3.726 0 40 IHAB CC(C)c1ncc(CN2CC[C@@H](c3cc(C(=O)N4CCOCC4)c4ccccc4n3)C2)cn1 19761902 BQPHPTPERUYUHA-HXUWFJFHSA-N 445.567 3.610 0 40 IHAB O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1)Nc1ccc(Cl)cc1 19935282 ALCWFOKAZJFEGR-UHFFFAOYSA-N 429.325 3.795 0 40 IHAB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cn(C)nc2C)n2nc(C(F)(F)F)nc2N1 20412963 KRUFBPVVBRGDQJ-INIZCTEOSA-N 431.422 3.575 0 40 IHAB COc1ccc(F)cc1S(=O)(=O)NC[C@H](c1cccs1)N1CCc2ccccc2C1 22907998 PBEMKKAOSOHBBD-LJQANCHMSA-N 446.569 3.974 0 40 IHAB Cc1noc(C)c1COc1ccc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1 24809726 LSFZIRLLFKZIDJ-UHFFFAOYSA-N 433.386 3.656 0 40 IHAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)Sc1nnc(N2CCCC2)n1Cc1ccco1 25944876 IFACDECLFLQXPL-DLBZAZTESA-N 437.569 3.978 0 40 IHAB O=C(CSc1nnc(C2CCCCC2)n1-n1cccc1)Nc1ccc2c(c1)OCO2 27526616 FZBTZMVFOLFLGM-UHFFFAOYSA-N 425.514 3.898 0 40 IHAB CCN1CCN(c2ccc(NC(=O)C3=NN(c4cc(C)ccc4C)C(=O)CC3)c(C)c2)CC1 29374269 ONOAAWGHPFFRDK-UHFFFAOYSA-N 447.583 3.875 0 40 IHAB O=C(NCC(F)(F)F)c1ccc(CN(C(=O)c2cc3ccccc3oc2=O)C2CC2)cc1 29382041 AIYWUEHGQSKVMO-UHFFFAOYSA-N 444.409 3.890 0 40 IHAB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cc(Cl)c2c(c1)OCO2 32718896 AGDZBDCNBNXFAH-UHFFFAOYSA-N 428.794 3.977 0 40 IHAB CCOc1ccc(NC(=O)CSc2nnc(-c3ccc4c(c3)OCCCO4)n2C)cc1 33087501 TUYSBHNVJKLSMV-UHFFFAOYSA-N 440.525 3.773 0 40 IHAB CCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1-c1cc(OC)cc(OC)c1 34688618 ZUKGMBLRFWFEDP-UHFFFAOYSA-N 428.514 3.722 0 40 IHAB CCCC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1cc2ccc(OC)cc2[nH]c1=O 35313766 HBRKXKQKCVYRHE-DEOSSOPVSA-N 436.508 3.828 0 40 IHAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](c2nnc(Cc3ccccc3)s2)C1 36705263 KMGXQEXMLUEZRV-MRXNPFEDSA-N 447.557 3.845 0 40 IHAB O=C(CSc1ccc(F)cc1)N1CCN(C2=NN=C(c3cccs3)CS2)CC1 36709922 GETMGIWAUFSRJA-UHFFFAOYSA-N 434.587 3.631 0 40 IHAB CCN(CC(=O)Nc1ccccc1SC)S(=O)(=O)c1ccc(Br)cc1 39985366 USELLVUIEVBRFS-UHFFFAOYSA-N 443.388 3.820 0 40 IHAB COc1ccc(-n2ccn(CN3CCN(C(=O)c4ccc(F)cc4)CC3)c2=S)cc1 40071357 NJBZQMVGLRFQNK-UHFFFAOYSA-N 426.517 3.571 0 40 IHAB Cc1ccc([C@@H](NS(=O)(=O)c2ccc(S(=O)(=O)C(F)F)cc2)C(F)(F)F)cc1 40155820 KCWRLHQAUFZNHM-CQSZACIVSA-N 443.415 3.573 0 40 IHAB CC(C)(C)c1ccc(N2C(=O)CN(Cc3ccccc3Cl)[C@H]3CS(=O)(=O)C[C@H]32)cc1 55408321 JQKWSPMXBJIJLJ-LEWJYISDSA-N 447.000 3.652 0 40 IHAB NS(=O)(=O)c1ccc(CCNc2ncc(-c3cccs3)c(-c3nccs3)n2)cc1 57740475 YHDMGAMSTLDAHA-UHFFFAOYSA-N 443.579 3.631 0 40 IHAB O=C(NCc1ccc(C2OCCO2)cc1)c1cn(-c2ccccc2)nc1-c1cccnc1 58029460 ZMJPGMGJRBCGDA-UHFFFAOYSA-N 426.476 3.910 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 65531349 HKXBKPOEOHCQSB-UHFFFAOYSA-N 442.516 3.665 0 40 IHAB CCOC(=O)Cc1csc(NC(=O)c2cc(O)c(OCc3ccccc3Cl)cn2)n1 71284361 YCKAXQLIOULFKB-UHFFFAOYSA-N 447.900 3.834 0 40 IHAB COc1ccc(CC[C@H](C)Nc2cc(Cn3ncc4ccccc4c3=O)nc(C)n2)cc1 72373236 AHFZYJUJGLFACL-KRWDZBQOSA-N 429.524 3.985 0 40 IHAB C[C@H](NC(=O)C1CCCCC1)C(=O)OCc1cnn(Cc2ccc(Br)cc2)c1 78988982 NRZLEFUVUDIMGZ-HNNXBMFYSA-N 448.361 3.822 0 40 IHAB CC[C@H](NC(=O)CCc1c(C)nc(SC)nc1C)[C@@H](c1ccc(C)cc1)n1cncn1 89941926 XCXLOXGFNSGXGW-RBBKRZOGSA-N 438.601 3.832 0 40 IHAB CCS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc3c2CN(CCC(C)C)C3)cc1 95466368 XCFZUWFYEMMCEQ-UHFFFAOYSA-N 436.599 3.643 0 40 IHAB CN1C(=O)c2cc(NC(=O)COc3ccc4c(c3)OCO4)ccc2Sc2ncccc21 96231366 VDBOAOQKQOBPJB-UHFFFAOYSA-N 435.461 3.569 0 40 IHAB COC(=O)c1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 102718160 ILJJGQCDYHLQGO-XPWALMASSA-N 442.471 3.833 0 40 IHAB O=C(COC(=O)CCC(=O)NC1CCCCC1)Nc1ccc(Br)cc1Cl 138607375 XFUUKPXBJKAIRN-UHFFFAOYSA-N 445.741 3.813 0 40 IHAB C[C@@H](C(=O)N1CCCc2ccccc21)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 220199959 RCPSUMOVXVWEJS-AWEZNQCLSA-N 426.460 3.839 0 40 IHAB CCSc1ccccc1NC(=O)[C@@H](C)N(c1ccc(OC)c(OC)c1)S(C)(=O)=O 220242119 LAOIWEPAUGQROF-CQSZACIVSA-N 438.571 3.609 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)c3ccc(C)c(C)c3)CC2)cc1 222577127 TULVENAPNRQKID-UHFFFAOYSA-N 430.570 3.766 0 40 IHAB Cc1ccc(OCCNC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1C 223713402 WFUBRRUJDWMRDL-UHFFFAOYSA-N 445.368 3.571 0 40 IHAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc(OC)cc1 223834205 PMOYCEKDZBUQHN-AWEZNQCLSA-N 439.339 3.934 0 40 IHAB COC(=O)c1cc(S(=O)(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)ccc1C 223859018 VQOKKYDDIVFHJW-UHFFFAOYSA-N 443.496 3.978 0 40 IHAB O=C(N[C@H]1C[C@@H]2CC[C@@H]1C2)[C@@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 223893450 QADUAXCNBGLLNQ-GPINWOSQSA-N 445.412 3.840 0 40 IHAB CCOc1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc2)cc1 223984915 HRJUUULAXYGQNH-UHFFFAOYSA-N 440.521 3.825 0 40 IHAB COc1ccccc1OCC(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)NCC(C)C 224208201 AZRAUFBRRGSJMX-KRWDZBQOSA-N 432.948 3.917 0 40 IHAB C[C@H](CNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1)c1ccccc1 224360433 BRLAGBUPXXTJMW-QGZVFWFLSA-N 434.989 3.802 0 40 IHAB CSc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1NC(C)=O 225039846 KJUWNFBFLWOFRB-UHFFFAOYSA-N 435.571 3.696 0 40 IHAB Cc1cccc(C2(C(=O)Nc3ccc(OCCCN4CCOCC4)cc3)CCOCC2)c1 225567154 IAVZPDZRRJNMML-UHFFFAOYSA-N 438.568 3.783 0 40 IHAB Cc1ccc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)N(CC(=O)O)Cc2ccccc2)cc1 257207136 BGMFTKILNBGWCO-XMMPIXPASA-N 442.515 3.676 0 40 IHAB O=C(NS(=O)(=O)c1ccccc1C(F)(F)F)c1cc(Cl)c2c(c1)OCCCO2 257226465 FKSJMNBPOMQQPV-UHFFFAOYSA-N 435.807 3.639 0 40 IHAB Cc1cc(Nc2ncccn2)cc(C2CCN(C(=O)[C@H]3CC(=O)OC34CCCCC4)CC2)n1 257231489 GGXVNBCOOVZVBJ-HXUWFJFHSA-N 449.555 3.896 0 40 IHAB CO[C@H]1CC[C@H](C(=O)N(C)C2CCC3(CC2)CN(C(C)=O)Cc2ccccc2O3)CC1 257275932 NROXSBXYEUSKOT-GHRRCMPNSA-N 428.573 3.773 0 40 IHAB CC[C@@H](C(=O)N[C@H](C)c1ccc2c(c1)CCC2)N(c1ccc(OC)cc1)S(C)(=O)=O 260939083 QECPWXPGMUUCCO-ZHRRBRCNSA-N 430.570 3.606 0 40 IHAB CCOc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OCC)c(C)c3)C2)cc1 408561815 VNEAMYGYFPDHOW-SFHVURJKSA-N 446.569 3.832 0 40 IHAB COC[C@@H](C)NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 408577228 XJTOWQWVULTVDY-CQSZACIVSA-N 445.368 3.648 0 40 IHAB CCCCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl 408594324 OLTSMSAOXPVOTM-QGZVFWFLSA-N 429.369 3.799 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 408626202 UVCMQOPXYIIZCV-UHFFFAOYSA-N 430.448 3.753 0 40 IHAB Cc1cccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Br)cc2C)c1 408648673 XZBPLWGRLQIGKG-UHFFFAOYSA-N 433.302 3.967 0 40 IHAB Cc1cccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(Br)c(C)c3)CC2=O)c1 408653508 IGJHWGDYNLPBTO-HNNXBMFYSA-N 445.313 3.601 0 40 IHAB COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCCC2)c1 408693440 UNSQUTGKISSGJZ-UHFFFAOYSA-N 438.933 3.784 0 40 IHAB Cc1ccc(SCCNC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 408921288 FULBOBAAAQIBTM-UHFFFAOYSA-N 447.409 3.976 0 40 IHAB O=C(CNS(=O)(=O)c1cc(Cl)ccc1Cl)Nc1cccc(Br)c1 409145353 ONAISKGUVXQGMX-UHFFFAOYSA-N 438.130 3.673 0 40 IHAB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(OC)cc(OC)c3)C2=O)cc1 409152581 JOZDTJBUEUBEQC-YBFXNURJSA-N 442.493 3.778 0 40 IHAB COc1cc(/C=c2/sc3nc4cc(C)c(C)cc4n3c2=O)cc(Br)c1OC 409394246 XQVGQDDBCPFYAN-RQZCQDPDSA-N 445.338 3.853 0 40 IHAB O=C(C[C@@H](c1cc2c(cc1O)OCO2)c1coc2ccccc2c1=O)NCc1ccco1 524732092 WULYKLKPRXBFRG-INIZCTEOSA-N 433.416 3.659 0 40 IHAB biogenic CC(C)n1cnc([C@H]2CN(C(=O)c3ccsc3)C[C@]23CCCN(CC2CC2)C3=O)c1 585106649 DOWYLJLLBBDEJC-AUSIDOKSSA-N 426.586 3.784 0 40 IHAB COc1cccc(-c2cccc(CN3CCC[C@H](Cc4n[nH]cc4S(C)(=O)=O)C3)c2)c1 1848352747 NDJDPJZNVDIHDA-LJQANCHMSA-N 439.581 3.944 0 40 IHAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Cl)c(=O)n2[C@H]1c1cccs1 631610 LBYRYAHQGKMPRG-QMJOVRGKSA-N 444.965 3.513 0 40 IHAB COc1cccc(OC)c1C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1 738414 PXEDRLVTZOOQGL-UHFFFAOYSA-N 445.519 3.919 0 40 IHAB CCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nc2sc3c(c2c1=O)CCC3 924241 OWUFTKGVNGHPFK-UHFFFAOYSA-N 427.551 3.900 0 40 IHAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CCCOc3ccccc3C)cc2)no1 1904189 YXXHXCWDSQDQGS-UHFFFAOYSA-N 429.498 3.890 0 40 IHAB Cc1cc(Cl)ccc1NC(=O)COC(=O)[C@H](CC(C)C)N1C(=O)c2ccccc2C1=O 1917035 MVGHAZNESHKZEK-IBGZPJMESA-N 442.899 3.841 0 40 IHAB CCOC(=O)[C@](NC(=O)Nc1ccc(Cl)cn1)(Oc1ccc(F)cc1)C(F)(F)F 2300360 HBOQATYKLUBMPY-INIZCTEOSA-N 435.761 3.896 0 40 IHAB Cc1cc2oc(=O)cc(COC(=O)[C@H]3CC(=O)N(CCc4ccccc4)C3)c2cc1Cl 3431346 VQNOSNVSJRBANU-KRWDZBQOSA-N 439.895 3.889 0 40 IHAB COc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)cc1OC 3565540 KZKYWGSDOMESNT-UHFFFAOYSA-N 438.933 3.784 0 40 IHAB COc1ccc(N(C(=O)c2cc[nH]n2)[C@H](C(=O)NC2CCCC2)c2cccc(OC)c2)cc1 6239872 BQJQTGLEFSXVMH-QHCPKHFHSA-N 448.523 3.874 0 40 IHAB CCOc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2CCCOC)cc1 6601151 AJWJRPCHTVJIFW-UHFFFAOYSA-N 427.530 3.506 0 40 IHAB CCOc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)c1 8723242 RAUOAVZEVRHMTO-UHFFFAOYSA-N 426.498 3.545 0 40 IHAB O=C1N[C@H](c2ccc(C(F)(F)F)cc2)[C@H](C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 8741778 OIZHACYCJSJBLX-CKEIUWERSA-N 432.320 3.809 0 40 IHAB CCSc1nc(NCC(C)C)c2cnn(CCNC(=O)Cc3ccc(F)cc3)c2n1 8948977 ZFEVSRVLYXOTKM-UHFFFAOYSA-N 430.553 3.504 0 40 IHAB COc1ccc(CCSC2=N[C@@H]3CS(=O)(=O)C[C@@H]3N2c2cccc(Cl)c2)cc1 8993663 GYRIRRQIMAUWTC-MOPGFXCFSA-N 436.986 3.666 0 40 IHAB CCOc1ccc(NC(=O)C2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(C)cc4)C3)CC2)cc1 9191037 ZQBRGQHCSPFSKN-FQEVSTJZSA-N 449.551 3.624 0 40 IHAB Cc1c(CCC(=O)N[C@H]2C=CS(=O)(=O)C2)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 9418924 FSAXGFIZGYXAEO-AWEZNQCLSA-N 443.521 3.505 0 40 IHAB CC(=O)c1cccc(N2C(SCCCc3ccccc3)=N[C@H]3CS(=O)(=O)C[C@H]32)c1 9418952 JNMHSYPRJSCPLO-LEWJYISDSA-N 428.579 3.597 0 40 IHAB COc1ccc(NS(=O)(=O)c2cc(NC(=O)C3CC3)ccc2N2CCCCC2)cc1 9539963 OCAUAABUWCCDBI-UHFFFAOYSA-N 429.542 3.835 0 40 IHAB C[C@H]1CCCC[C@H]1n1c(SCn2nnc3ccccc3c2=O)nnc1-c1cccnc1 9662166 FZJXJELKEJJQFU-HNAYVOBHSA-N 433.541 3.946 0 40 IHAB CCCNC(=O)c1cnn2c1N[C@H](c1cc(OC)c(OC)c(OC)c1)C[C@@H]2C(F)(F)F 9780772 DMNOZQIAOFFZJZ-XJKSGUPXSA-N 442.438 3.709 0 40 IHAB Cc1ccc(Cl)cc1N(CCCC(=O)NCCCN1CCCCCC1)S(C)(=O)=O 10111283 JNTPBUUJAOAFNQ-UHFFFAOYSA-N 444.041 3.577 0 40 IHAB O=C(CSc1nnc(-c2cccs2)n1C1CC1)c1c[nH]c(C(=O)N2CCCC2)c1 10215568 AEJMPARWWKGDGO-UHFFFAOYSA-N 427.555 3.881 0 40 IHAB CN1CCN(c2ccc(Cl)cc2NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)CC1 10237637 HSBHFDJYVNLPAK-UHFFFAOYSA-N 436.339 3.698 0 40 IHAB CCc1ccc(N2CCCCn3c2nc2c3c(=O)n(CCc3ccccc3)c(=O)n2C)cc1 10271950 SOKDQQCLEWWRSB-UHFFFAOYSA-N 443.551 3.634 0 40 IHAB CCN(CC)[C@H](CNC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2)c1cccc(OC)c1 10917313 NZJGXYXQCUXSCC-FOIQADDNSA-N 427.570 3.941 0 40 IHAB CC(C)[C@H](NS(=O)(=O)c1cccs1)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 11917793 DOPVRENZBWFICE-SFHVURJKSA-N 436.555 3.731 0 40 IHAB Cc1cccc(N(CC(=O)NCc2ccc(F)cc2)C(=O)[C@@H]2COc3ccccc3O2)c1C 12472265 HPMUEHFJBNNYBS-DEOSSOPVSA-N 448.494 3.932 0 40 IHAB COc1ccccc1[C@H](CNC(=O)[C@H](NC(=O)c1ccc(C)cc1)C(C)C)N1CCCC1 12796122 AUKKKEDYFKMIKM-LADGPHEKSA-N 437.584 3.711 0 40 IHAB Cc1nc(-c2ccc(CNC(=O)c3cc(C)c(C)c(S(=O)(=O)N(C)C)c3)o2)cs1 12808592 QIPOKAFIXWANGE-UHFFFAOYSA-N 433.555 3.509 0 40 IHAB C[C@@H]1CN(Cc2csc(NC(=O)c3ccc(Br)cc3F)n2)C[C@@H](C)O1 12978066 CCOVKWRWRBMQSV-GHMZBOCLSA-N 428.327 3.906 0 40 IHAB O=C(c1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@@H]2CCCN21 13556458 GILKAXPPISVCGK-MANSERQUSA-N 446.400 3.680 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OC 13581397 AEGOJLCWSUPQNQ-UHFFFAOYSA-N 430.448 3.997 0 40 IHAB Cc1ccc(N2C[C@@H](c3nnc(NC(=O)c4ccc5c(c4)OCO5)s3)CC2=O)cc1C 13942535 LEGUKXCAHFSGIB-HNNXBMFYSA-N 436.493 3.656 0 40 IHAB COc1ccc2cc([C@]3(C)NC(=O)N(Cc4nc(-c5cccs5)no4)C3=O)ccc2c1 14017659 NXEALNRTIWFHMR-QFIPXVFZSA-N 434.477 3.927 0 40 IHAB COc1ccc(-c2nnc(S)n2CC(=O)NCCc2ccc(Cl)cc2Cl)cc1 16636449 KIWPKHZASYYSJX-UHFFFAOYSA-N 437.352 3.908 0 40 IHAB CCOC(=O)C1=NN(c2ccccc2Cl)[C@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]12 17992718 BOJUQTZEHLILDF-FUHWJXTLSA-N 446.290 3.599 0 40 IHAB O=C(CC1CCCC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(Cc1ccccc1F)CC2 19349292 ZNHUDYMLKXBWQT-JOCHJYFZSA-N 438.547 3.711 0 40 IHAB COc1ccc(-c2cnc(N(C)C)nc2C2CCN(C(=O)CC[C@H]3CCCO3)CC2)cc1 19695221 MIRAIGXTJQNMER-OAQYLSRUSA-N 438.572 3.883 0 40 IHAB CC(C)(Oc1ccc(F)cc1)C(=O)N1CCC[C@H](c2ccc(C(=O)NCC3CC3)cn2)C1 19705908 YODHUHBWFBFCHG-IBGZPJMESA-N 439.531 3.924 0 40 IHAB CC(=O)N[C@H]1C[C@@H](c2ccc(NC(=O)c3cc4nc(C)cc(C)n4n3)cc2)O[C@@H](C(C)C)C1 19711761 OGEYFZLYAFDJPY-MZYLBHOOSA-N 449.555 3.979 0 40 IHAB Cc1nc(C)c(C(=O)N2CCC[C@H]2c2nc(C)c3c(n2)N(Cc2ccccc2)C(=O)CC3)o1 19741191 JNBURWBHMNPDNP-FQEVSTJZSA-N 445.523 3.847 0 40 IHAB O=C(c1ccccc1)c1ccc(OC[C@@H](O)CN2CCN(c3ccccc3F)CC2)cc1 19831813 VHNOBVBILMOHGV-QFIPXVFZSA-N 434.511 3.619 0 40 IHAB O=C(NCCSc1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1 20014278 GIGWKDQBNRMUMU-UHFFFAOYSA-N 439.002 3.649 0 40 IHAB Cc1ccc(F)cc1NC(=O)COc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 20019812 RHPCSIDQANNZQD-UHFFFAOYSA-N 442.512 3.972 0 40 IHAB CC1CCN(S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)c(F)c3F)cc2)CC1 20021403 SIFUUUCGPIVPSH-UHFFFAOYSA-N 442.459 3.542 0 40 IHAB COC(=O)c1ccc2nc(NC(=S)NC(=O)c3ccc(OC)c(Cl)c3)sc2c1 20412435 ZUAOVCJAENURNE-UHFFFAOYSA-N 435.914 3.872 0 40 IHAB CCOC(=O)Cc1cc(=O)nc(Nc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)[nH]1 20634913 NIPQGLNJTFVEEI-UHFFFAOYSA-N 435.871 3.883 0 40 IHAB Cc1ccc(-c2cc(C(=O)N(Cc3ccc(F)cc3)[C@@H]3CCS(=O)(=O)C3)no2)cc1C 21786454 UTYXFSGCSWKEMB-HXUWFJFHSA-N 442.512 3.927 0 40 IHAB O=C(CSc1ccccc1C(=O)OCc1cc(Cl)cc2c1OCOC2)NC1CC1 22521139 BNMODSSGBKRJML-UHFFFAOYSA-N 433.913 3.934 0 40 IHAB COc1ccc([C@H](CC(C)C)NC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 22531651 UUPBOXWAVOLAND-IERDGZPVSA-N 436.549 3.892 0 40 IHAB O=c1[nH]c(CN2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)nc2ccc(Cl)cc12 22934117 MCRCPAMYKGBELU-UHFFFAOYSA-N 436.865 3.913 0 40 IHAB CCc1ccc2c(CC(=O)Nc3cc(S(=O)(=O)N(CC)CC)ccc3O)coc2c1 23054946 OFLXTSKBYXJUMR-UHFFFAOYSA-N 430.526 3.913 0 40 IHAB CC(C)n1c(S[C@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)nc2ccccc2c1=O 23222866 WCZCNPTYAJJCEA-CQSZACIVSA-N 445.566 3.712 0 40 IHAB CC(C)Oc1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)c1 24612963 HKKGEJCBHKMPAE-UHFFFAOYSA-N 434.533 3.793 0 40 IHAB COc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3N2C[C@@H](O)c2ccc(F)cc2)cc1 24928364 SYRSRFSMSANKPI-DHIUTWEWSA-N 449.482 3.724 0 40 IHAB Cc1ccc(SCCNC(=O)CN2C(=O)[C@@H](C)N(c3ccc(Cl)cc3)C2=O)cc1 26396601 GTJGMEGGYGZOBF-OAHLLOKOSA-N 431.945 3.714 0 40 IHAB Cc1ccc(S(=O)(=O)NCCC(=O)N[C@H](C)c2ccc(C(F)(F)F)cc2)cc1C 29239068 LPLADOACIFQCDY-OAHLLOKOSA-N 428.476 3.868 0 40 IHAB Cc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)C[C@H](NC(N)=O)c2cccc(C)c2)cc1 32456716 HKNYFMBVQXBIGC-LEWJYISDSA-N 425.529 3.602 0 40 IHAB C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 32747616 PXYDRKHGSSTFCS-SECBINFHSA-N 427.201 3.528 0 40 IHAB COc1ccc(C)cc1NC(=O)[C@H](NC[C@H](C(C)C)N1CCOCC1)c1ccccc1 32900796 PVXBBZABLPWDGG-ISKFKSNPSA-N 425.573 3.630 0 40 IHAB CCCCCN(C(=O)c1sc(C(C)C)nc1C)c1c(N)n(CCCC)c(=O)[nH]c1=O 32924107 NGSKDZVRPOCNSE-UHFFFAOYSA-N 435.594 3.644 0 40 IHAB Cc1cc(C(=O)OCC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)c(C)n1C(C)C 32950483 WUEUESOYXWJQOH-UHFFFAOYSA-N 426.922 3.538 0 40 IHAB O=C1N[C@@H]2CS[C@H](CCCCC(=O)N3CCc4sccc4[C@H]3c3ccccc3)[C@H]2N1 34890531 LRWSIOSGPLBNQB-CMCXCUNFSA-N 441.622 3.948 0 40 IHAB COc1ccc(CCN2C(=O)[C@@H](CCC(=O)Nc3cccc4ccccc34)N=C2O)cc1 36595009 DTRZSWNIQGRJOL-JOCHJYFZSA-N 431.492 3.935 0 40 IHAB Cc1cn2c(=O)cc(COc3ccc(NC(=O)COc4ccccc4C)cc3)nc2s1 41085609 XHKPHDSRKNTIOE-UHFFFAOYSA-N 435.505 3.969 0 40 IHAB C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCC[C@@H]3c3ccsc3)cc2)C[C@@H](C)O1 46844081 XQUPNPJLIVFUQG-JXXFODFXSA-N 434.583 3.523 0 40 IHAB COc1ccc([C@H]2CC(=O)N(c3ccccc3)c3c2sc(=O)n3C)c(OC)c1OC 49544814 QKOSJSOORHXMJO-OAHLLOKOSA-N 426.494 3.673 0 40 IHAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)CNc2ccc3nc(C)sc3c2)c1 69450256 BNIWOZOGBPOEAC-UHFFFAOYSA-N 432.571 3.686 0 40 IHAB COc1ccc(-c2cc(N3CCN(C(=O)c4c(F)cccc4Cl)CC3)ncn2)cc1 70637600 JTVIAYNYEYLKRN-UHFFFAOYSA-N 426.879 3.907 0 40 IHAB Cc1ccc(C(=O)N2CCC[C@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3(C)C)C2)cc1 72298161 XVVZVZIGFPCDAJ-FQEVSTJZSA-N 443.588 3.705 0 40 IHAB O=C(c1ccc(=O)[nH]n1)N1CCC[C@H](c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1 72349741 YPUZZOZBMVZQTN-INIZCTEOSA-N 442.441 3.794 0 40 IHAB CCn1ncc(S(=O)(=O)N2CCC[C@@H](c3cccc(-c4cccc(F)c4)n3)C2)c1C 72350174 FUGCOYXROJLFKW-GOSISDBHSA-N 428.533 3.981 0 40 IHAB CNc1cc([C@H]2CC(=O)N(Cc3ccccc3)C2)nc(CN(C)Cc2ccc(OC)cc2)n1 72391877 DLUSFFXAYBZSCE-NRFANRHFSA-N 445.567 3.675 0 40 IHAB Cc1nc(COc2cccc(C(=O)N3CC[C@H]4[C@@H](CCC(=O)N4C4CC4)C3)c2)cs1 89712518 BJMAPECNEFCJMO-UWJYYQICSA-N 425.554 3.646 0 40 IHAB CC(C)c1nc(-c2ccc(N3CCN(C(=O)c4cc(-c5cccs5)n[nH]4)CC3)nc2)no1 90558857 HKFDAVYNMLMVQO-UHFFFAOYSA-N 449.540 3.669 0 40 IHAB COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1ccc2nn(-c3ccccc3)nc2c1 96230755 PVUZVFFMMRGXRK-HXUWFJFHSA-N 444.447 3.678 0 40 IHAB CSCC[C@H](C(=O)OCc1nc2ccccc2s1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 101404530 IYFQDVNDMFWUTK-IJEWVQPXSA-N 432.567 3.636 0 40 IHAB O=C1[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1nn(Cc2c(Cl)cccc2Cl)cc1Cl 102016807 BUZQCKCFWQUQOB-ZQDZILKHSA-N 426.687 3.558 0 40 IHAB CCOc1cc(C)c(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1C(C)C 107841698 PQEQCIYJUXQFPC-WQRHYEAKSA-N 426.469 3.990 0 40 IHAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl 219284262 ZLUYDCWYIMYULB-KRWDZBQOSA-N 438.933 3.752 0 40 IHAB Cc1ccccc1CSCCNC(=O)CCCN(c1ccccc1C)S(C)(=O)=O 222554302 BZNXYRFBAXHNNY-UHFFFAOYSA-N 434.627 3.899 0 40 IHAB Cc1ccccc1N(CCCC(=O)NCCCN1CCCc2ccccc21)S(C)(=O)=O 222564462 VXLSRLNCRCDWDV-UHFFFAOYSA-N 443.613 3.500 0 40 IHAB Cc1ccc(N(CC(=O)NCCc2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 223546128 FFCBVSGVRWJWKK-UHFFFAOYSA-N 440.540 3.997 0 40 IHAB COc1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(OC)cc3)c(C)c2)cc1 224011485 GLJRTAUQTWOKGS-UHFFFAOYSA-N 440.521 3.743 0 40 IHAB O=C(NCC1=CCCCC1)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 224232712 QCJKSLXDYUFYQF-OAQYLSRUSA-N 446.956 3.913 0 40 IHAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NCc3cccc(C)c3)cc2)cc1 224440653 YJFCBGXDMQRUDR-UHFFFAOYSA-N 438.549 3.754 0 40 IHAB CCOc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)cc1 224616987 RZSSGJRKMWQECT-UHFFFAOYSA-N 434.297 3.681 0 40 IHAB COCCn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CCC(=O)Nc1ccccc1 225525980 GUUYWHPUQLYULH-PKTZIBPZSA-N 449.580 3.531 0 40 IHAB CCc1ccc([C@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3ccc(C)cc3)CC2)cc1 225600075 AYRAQFPTGASOOD-IBGZPJMESA-N 428.598 3.977 0 40 IHAB O=C(N[C@H]1C[C@H]2CC[C@H]1C2)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 250791826 SBIRLPHORIIKDG-RFUYNDQBSA-N 445.412 3.840 0 40 IHAB O=C(N1CCC[C@H](Cc2cn3ccnc3cn2)CC1)C1(Cc2ccccc2)CCOCC1 257218752 DEHXKXLAXRRONO-NRFANRHFSA-N 432.568 3.940 0 40 IHAB CC[C@@H](NC(=O)[C@H]1CN(S(C)(=O)=O)c2ccc(C)cc2O1)c1ccc2c(c1)CCCC2 260932740 MSKFXMYKZKAOCT-NFBKMPQASA-N 442.581 3.668 0 40 IHAB CN(C)[C@H](CNS(=O)(=O)c1ccc(-n2cccn2)cc1)c1csc2ccccc12 575622539 ZSKBUFGJJIIZBK-HXUWFJFHSA-N 426.567 3.668 0 40 IHAB Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3nc(-c4ccc5ccccc5n4)n[nH]3)C2)cc1 590407367 MKVPNPBIBMJNKP-IBGZPJMESA-N 440.507 3.819 0 40 IHAB C[C@H]1C[C@H](C)CN(CCCNC(=O)c2ccc(Cn3cc(Br)cn3)s2)C1 1540934935 OVYFGBZZALAPFH-GJZGRUSLSA-N 439.423 3.853 0 40 IHAB COc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)sc2c1 909569 YRTFMLJLWMLUOW-UHFFFAOYSA-N 431.539 3.732 0 40 IHAB CCOc1ccccc1[C@@H]1C(C(N)=O)=C(C)Nc2nc(SCc3ccccc3F)nn21 958591 WWBGLSHSKZLZPT-LJQANCHMSA-N 439.516 3.882 0 40 IHAB O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)NCc1ccc2c(c1)OCO2 3251243 YOXCBPZFDXIVTL-UHFFFAOYSA-N 430.416 3.697 0 40 IHAB aggregator O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)Nc1ccc(Cl)cc1C(F)(F)F 3348126 JPDBDADPKJVSPT-LJQANCHMSA-N 437.805 3.691 0 40 IHAB CN(c1ccc(OCC(=O)NCCCc2ccccc2)cc1)S(=O)(=O)c1ccccc1 3414355 HRQTXAPHQFUUDL-UHFFFAOYSA-N 438.549 3.640 0 40 IHAB C[C@@H](C(=O)N1CCCc2ccccc21)N(C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 3419669 UMIDHOZNHQVROB-HNNXBMFYSA-N 435.446 3.823 0 40 IHAB CCOc1ccc(N2C(=O)N(c3cccc(C(F)(F)F)c3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 8828070 ROLXUASDTQVFEP-QZTJIDSGSA-N 440.443 3.716 0 40 IHAB CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N12 9086446 QBYIILQEKATLQR-UAFMIMERSA-N 427.287 3.972 0 40 IHAB C[C@@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(=O)N1CC(=O)Nc2ccccc21 9204215 DNVLUCHLBPXROZ-OAHLLOKOSA-N 445.504 3.993 0 40 IHAB COc1cc(-c2nnc3n(CCc4ccccc4)c(=O)c4ccccc4n23)cc(OC)c1O 9252123 ZKZBALNAMPYXSK-UHFFFAOYSA-N 442.475 3.677 0 40 IHAB Cc1ccccc1Cn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccc(Cl)cc2)n(C)c1=O 9292823 IYURZVLYVQTDEH-OAHLLOKOSA-N 449.942 3.695 0 40 IHAB O=C1O[C@H](c2ccccc2)Cc2cc(C(=O)N3CCN(c4ccccc4O)CC3)ccc21 9338722 NNAAHWNLRFRILO-DEOSSOPVSA-N 428.488 3.809 0 40 IHAB COc1ccc(-n2nc3c(c2NC(=O)c2ccccc2C(F)(F)F)C[S@@](=O)C3)cc1 9413625 MXLJYMOUAYVEJG-PMERELPUSA-N 435.427 3.914 0 40 IHAB CC(C)[C@H]1Cc2c(sc3nc(SCC(=O)O)n(Cc4ccccc4)c(=O)c23)CO1 9425433 ACOOOFJFSUVIME-OAHLLOKOSA-N 430.551 3.780 0 40 IHAB Cc1cc(C)cc(NC(=O)CN2C(=O)N[C@@](Cc3ccccc3)(c3ccccc3)C2=O)c1 9545823 XHZDOQYIEDBKER-SANMLTNESA-N 427.504 3.932 0 40 IHAB Cc1nn(Cc2ccccc2)c(Cl)c1/C=C/C(=O)OCc1nc2ccsc2c(=O)[nH]1 9671602 GAYLSMMCMBZLNF-BQYQJAHWSA-N 440.912 3.948 0 40 IHAB CC(=O)c1ccc(NC(=O)Cn2nc(-c3ccc(Br)cc3)ccc2=O)cc1 10131923 RABWMYCUVKWFFU-UHFFFAOYSA-N 426.270 3.514 0 40 IHAB Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)O[C@H](C)C(=O)NC3CCCC3)c2)c1 10191097 MRIOFGCQAXODQT-QGZVFWFLSA-N 444.553 3.708 0 40 IHAB Cc1ccc(CN(C(=O)c2cc(-c3ccc(C)c(F)c3)on2)[C@H]2CCS(=O)(=O)C2)cc1 11916983 YDAFQTWDAMHXAE-IBGZPJMESA-N 442.512 3.927 0 40 IHAB CCn1c(=O)oc2cc(S(=O)(=O)N3CCCCC[C@@H]3c3cc(C)no3)c(Cl)cc21 12159462 CLDUQHDAWWKQIV-CQSZACIVSA-N 439.921 3.870 0 40 IHAB Cn1nc(C(C)(C)C)cc1C(=O)N1CCC[C@H](c2nc3ccc(F)cc3cc2C(N)=O)C1 12219897 BENHREXVRUTHGW-AWEZNQCLSA-N 437.519 3.524 0 40 IHAB COC(=O)c1sccc1NS(=O)(=O)c1cc(Cl)cc(Br)c1OC 12536300 FXCRIIWIRAHQTH-UHFFFAOYSA-N 440.724 3.760 0 40 IHAB COc1cccc(NC(=O)CN(C)C(=O)NCCc2ccc(-c3csc(C)n3)cc2)c1 12567357 BDDUGZKZNRDWLB-UHFFFAOYSA-N 438.553 3.950 0 40 IHAB O=C(CSc1nncn1-c1ccccc1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 12594973 VMDSURSMCAFCRD-LJQANCHMSA-N 436.537 3.884 0 40 IHAB Cc1ccccc1-n1c(SCC(=O)NC[C@H]2CCCO2)nc2sc(C)c(C)c2c1=O 12979082 YNOJIANCKUYCEZ-MRXNPFEDSA-N 443.594 3.760 0 40 IHAB C[C@@H](NCC(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1)c1ccc(S(N)(=O)=O)cc1 13113108 MRBNTRMQHFRSKC-QZTJIDSGSA-N 437.565 3.529 0 40 IHAB C[C@H](Oc1ccc(CCO)cc1-n1nc2ccccc2n1)C(=O)Nc1ccc2c(c1)CCC2 13163496 QYOFEPNMYUPNIS-KRWDZBQOSA-N 442.519 3.850 0 40 IHAB Cc1ccc([C@H](c2nnnn2Cc2ccco2)N2CCN(c3ccccc3F)CC2)cc1 13505041 FCHOVAWEAZDIGL-HSZRJFAPSA-N 432.503 3.674 0 40 IHAB COc1cccc([C@@H]2CC(=O)N(c3ccc(Br)cc3)C3=C2C(=O)OC3)c1OC 13567541 BTZKPPPPZOQUOB-HNNXBMFYSA-N 444.281 3.798 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CCCN(c2ccc(C)c(C)c2)S(C)(=O)=O)c(C)c1 13668546 ADMVCLKPZIFJJE-UHFFFAOYSA-N 446.569 3.973 0 40 IHAB COc1ccc(S(=O)(=O)NCCC2CCCCCC2)cc1I 13674881 HARLEGNCRSXOSD-UHFFFAOYSA-N 437.343 3.939 0 40 IHAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 13688914 SDICBTATVLMYKD-HDICACEKSA-N 436.895 3.851 0 40 IHAB O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 14245405 ROZYOYYYOJHAGZ-CGTJXYLNSA-N 440.556 3.841 0 40 IHAB C[C@@H](OC(=O)c1ccccc1OCc1ccc(F)cc1)C(=O)N1CC(=O)Nc2ccccc21 16053404 BPUBNVPXTVHKDN-MRXNPFEDSA-N 448.450 3.935 0 40 IHAB O=S(=O)(NCCc1csc2nc(-c3ccc(Cl)cc3)nn12)c1ccccc1F 17177840 XCMZOOHKNYRWGK-UHFFFAOYSA-N 436.921 3.771 0 40 IHAB COc1c(C)cccc1C(=O)NCCn1cc(-c2ccc(F)cc2)c(-c2nccn2C)n1 19235883 KZNBYDXLZBIHGU-UHFFFAOYSA-N 433.487 3.837 0 40 IHAB C[C@H]1CCCN(CCC(=O)N2CCC(c3ccc(C(=O)NC4CCCC4)cn3)CC2)C1 19705866 OMANCUDKWVIMDX-IBGZPJMESA-N 426.605 3.582 0 40 IHAB Cc1nc(C2CCN(C(=O)c3nccn3C)CC2)nc2c1CCCN2CCc1ccccc1 19707907 XCOWRBOCVFZKFY-UHFFFAOYSA-N 444.583 3.534 0 40 IHAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 20002044 SQUKZKTYJAQVML-ZDUSSCGKSA-N 426.420 3.548 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3ccc(SC)cc3)CC2)cc1 20017928 MHZUGPRUSXGURK-MRXNPFEDSA-N 448.610 3.695 0 40 IHAB O=C(NC1CCCCC1)N1CCN(C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC1 20347432 NUEGGNMLLLYYCW-OAQYLSRUSA-N 434.584 3.815 0 40 IHAB CC(=O)N[C@H]1CC[C@]2(C)CC[C@@H]([C@H](C)C(=O)NCc3ccccc3Cl)[C@H](O)[C@H]2[C@@H]1C 20466065 BZEFESROWBFQRN-QZVZVCNTSA-N 435.008 3.920 0 40 IHAB biogenic,in-vitro CCOc1cc(CNc2nnnn2C)cc(Br)c1OCc1ccccc1F 22112122 BYUCXBJGDSSICX-UHFFFAOYSA-N 436.285 3.702 0 40 IHAB COc1cc(C(=O)Nc2ccccc2)c(N(Cc2ccccc2)S(C)(=O)=O)cc1OC 22253345 UUTBWAWKZIYOON-UHFFFAOYSA-N 440.521 3.922 0 40 IHAB O=C(Cn1nc(O)c2ccccc2c1=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 22527187 PXNURAGHICDUCG-UOMYTMTESA-N 437.499 3.516 0 40 IHAB COCCn1c(C)cc(O)c([C@@H](c2cccnc2)N2CCC(Cc3ccccc3)CC2)c1=O 22697861 BRIBYKOEUGRNKZ-AREMUKBSSA-N 447.579 3.948 0 40 IHAB CSc1nc2ccccc2n1CN1CCN(CC(=O)Nc2ccccc2Cl)CC1 22802376 AIYNYIRZNLTZAU-UHFFFAOYSA-N 429.977 3.625 0 40 IHAB CCOC(=O)c1cccc(NC(=O)Cn2cnc3c(-c4ccccc4)csc3c2=O)c1 23126368 VBBCYTFMNRXIIT-UHFFFAOYSA-N 433.489 3.940 0 40 IHAB CN(C)[C@H](CNc1nc(CN2CCOCC2)nc2sc3c(c12)CCC3)c1cccs1 23744780 VSYDNBVKNTYLMU-MRXNPFEDSA-N 443.642 3.789 0 40 IHAB O=C(CCSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)N1CCC[C@@H]1c1cccnc1 24988221 FUCQMZCUUJCYJU-MRXNPFEDSA-N 440.594 3.855 0 40 IHAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1nnc(-c2cccs2)n1CCC(N)=O 25048792 VAGWYLASKNIOKD-LBPRGKRZSA-N 449.989 3.963 0 40 IHAB CCn1c(SCC(=O)Nc2ccc(F)cc2C)nnc1[C@@H](C)NC(=O)c1ccco1 32579617 PTFUSNDKVYYQDL-CYBMUJFWSA-N 431.493 3.560 0 40 IHAB CC[C@@H](C)n1nccc1NC(=O)[C@H](C)OC(=O)C1=NN(c2cc(C)ccc2C)C(=O)CC1 32670048 HTBGNLAMGRIYMD-SJORKVTESA-N 439.516 3.524 0 40 IHAB CSc1ncc(C(=O)OCc2cc(=O)n3cc(Cl)ccc3n2)n1-c1ccccc1 32747350 RSCXJXPGTQGEIP-UHFFFAOYSA-N 426.885 3.613 0 40 IHAB Cc1ccc(Cn2ncc3c(C(=O)Nc4ccc5c(c4)C(=O)N(C)C5=O)cc(C)nc32)cc1 32784696 MWMYBQLPDRRZHM-UHFFFAOYSA-N 439.475 3.575 0 40 IHAB Cc1ccc(NS(=O)(=O)c2n[nH]c(C)c2C(=O)NCc2ccc(C(C)C)cc2)cc1 33279663 DBIVCEBPCFQHSB-UHFFFAOYSA-N 426.542 3.881 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(Cc4ccc(F)cc4)o3)C2)cc1C 35596931 HCIOBQZQFHDJPC-SFHVURJKSA-N 429.517 3.985 0 40 IHAB CCOc1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2ccc(Cl)cc2)cc1 36719754 OXYQSKGJXKRNST-MDZRGWNJSA-N 442.821 3.843 0 40 IHAB CN(C)C(=O)COc1ccccc1C(=O)NCc1ccc(-c2nc3ccccc3s2)o1 40039508 PYNLTZRAHOKDES-UHFFFAOYSA-N 435.505 3.953 0 40 IHAB CCc1nnc(NC(=O)[C@@H]2c3ccccc3C(=O)N(CCOC)C23CCCCC3)s1 49544123 HBMPNAZFYCXCAD-SFHVURJKSA-N 428.558 3.628 0 40 IHAB CC(C)c1ccc(-n2ncc3c(=O)n(CC(=O)N4CCCc5ccccc54)cnc32)cc1 57486501 CQDVBYAPFYIUIJ-UHFFFAOYSA-N 427.508 3.685 0 40 IHAB O=C(Cn1c(=O)n(-c2cccc(Cl)c2)c(=O)c2sccc21)Nc1ccc(F)cc1 57491465 HGHAIHGTKYVXPN-UHFFFAOYSA-N 429.860 3.645 0 40 IHAB Cc1ccc(CCC2CCN(C(=O)[C@H]3Cc4ccccc4CN3S(C)(=O)=O)CC2)cc1 58151128 HLKSTKQFACEWLU-XMMPIXPASA-N 440.609 3.553 0 40 IHAB COc1cc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)cc(I)c1OC 59484468 FXTAASGDLGYLCE-DHDCSXOGSA-N 449.244 3.961 0 40 IHAB O=C(Cn1c(=O)n2nc(-c3ccccc3)nc2c2ccccc21)NCc1ccccc1Cl 62639787 ZHYMGVIHCHVQLN-UHFFFAOYSA-N 443.894 3.681 0 40 IHAB CS(=O)(=O)N1CCCCC[C@@H]1C1CCN(Cc2ccccc2Br)CC1 69707107 VFPQSHPLPNLLOO-LJQANCHMSA-N 429.424 3.865 0 40 IHAB O=C(CNC(=O)Cc1cccc2ccccc12)NCC1(c2cccc(F)c2)CCOCC1 69949068 VORYLYJRCSCKOI-UHFFFAOYSA-N 434.511 3.502 0 40 IHAB COc1ccc(CCCNc2nc([C@H]3CCCCN3C(C)=O)nc3c2CCN(C)C3)cc1 72376588 ACOHAARSQFMCDU-HSZRJFAPSA-N 437.588 3.591 0 40 IHAB Cn1nc(C2CCN(C(=O)NC(c3ccccc3)c3ccccc3)CC2)n(C2CC2)c1=O 77148936 WNMUEGVXZXMAEH-UHFFFAOYSA-N 431.540 3.595 0 40 IHAB O=C(Cc1csc(-c2cccc(Br)c2)n1)N[C@H](Cc1ccccc1)C(=O)O 80357383 IPPNVVGAKMDXLP-QGZVFWFLSA-N 445.338 3.927 0 40 IHAB COC(=O)c1cccc(CCNC(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3C)c1 95454275 BQZOJJHWNXJNAF-UHFFFAOYSA-N 428.492 3.703 0 40 IHAB CCOc1ccccc1N(CC(=O)N[C@H]1C[C@H]2CC[C@H]1C2)S(=O)(=O)c1ccccc1 101196120 LACZLXZXBOIKAD-BJLQDIEVSA-N 428.554 3.585 0 40 IHAB Cc1ccc(NC(=O)c2nnc(COC(=O)CC34C[C@H]5C[C@@H](CC(O)(C5)C3)C4)s2)cc1 102767590 LQIGAOMBMXIINX-SNTCSEMISA-N 441.553 3.863 0 40 IHAB CCOc1cccc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)c1OCC(=O)O 106698035 ZYDAMRXSMLALPU-YVLHZVERSA-N 431.441 3.924 0 40 IHAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 222590858 AAZFGHUPQRXQSY-FQEVSTJZSA-N 428.554 3.957 0 40 IHAB O=C(NCc1ccc2ccccc2c1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 222823037 JQHMEBSWFWZREY-HXUWFJFHSA-N 426.513 3.696 0 40 IHAB CCC1(CC)C[C@H](NC(=O)[C@@H](c2ccccc2)N(C)S(C)(=O)=O)c2ccccc2O1 223276511 ZUEWSYFJNRZODX-PZJWPPBQSA-N 430.570 3.818 0 40 IHAB Cc1cccc(N(CC(=O)Nc2nnc(SCc3ccccc3)s2)S(C)(=O)=O)c1 224969051 NJHATJQUXMVGNB-UHFFFAOYSA-N 448.595 3.544 0 40 IHAB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)[nH]c2C)cc1 225206509 LBEJEYDNZFEONL-FGZHOGPDSA-N 435.553 3.789 0 40 IHAB CCCn1c(=O)sc2cc(S(=O)(=O)NCCCN3c4ccccc4C[C@@H]3C)ccc21 225734145 QDNLLORVRFAVSX-INIZCTEOSA-N 445.610 3.593 0 40 IHAB CCOc1ncc([C@]2(O)CCC[C@H]3CN(Cc4cc(OC)ccc4F)C[C@H]32)c(OCC)n1 247911822 UUCJETPKIRSFCI-LZBHBKQYSA-N 445.535 3.541 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCCC2=CCCCC2)C1 408561808 VMHIEATUQQVYIH-KRWDZBQOSA-N 440.993 3.756 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)CCc3ccccc3)CC2)cc1C 408584716 UCJLTVTWKVDFAM-LJQANCHMSA-N 444.597 3.542 0 40 IHAB Cn1cc(/C=C2/SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c2ccccc21 409364137 VJZFTZYSOKGNGG-CIAFOILYSA-N 431.517 3.800 0 40 IHAB CC(C)n1cccc1CNC(=O)CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12 524734561 QVMCWILZCKSCKC-XMMPIXPASA-N 442.519 3.890 0 40 IHAB O[C@@]1(COc2ccccc2F)CCCN(Cc2cccc(OCCn3ccnc3)c2)CC1 585272830 OWIWONQJOZOAKE-VWLOTQADSA-N 439.531 3.897 0 40 IHAB Nc1nc(-c2ccccc2)c2n1NC(=O)[C@@H](CC(=O)Nc1ccc(Cl)c(Cl)c1)C2 618256081 FIHXQJAHEANSIZ-GFCCVEGCSA-N 430.295 3.710 0 40 IHAB O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1cccc(Cl)c1Cl 798658 ODJCRSHKYDCDOK-UHFFFAOYSA-N 429.325 3.795 0 40 IHAB COc1ccc(/C=C(\NC(=O)c2ccc(OC)cc2)C(=O)Nc2ccccc2C(=O)O)cc1 2117131 CNJKNYMSRBTEAR-JCMHNJIXSA-N 446.459 3.812 0 40 IHAB biogenic COc1ccc(Cn2cc(S(=O)(=O)c3ccccc3)c(=O)c3cc(OC)ccc32)cc1 2691131 GGSVKZCTPWYLPS-UHFFFAOYSA-N 435.501 3.900 0 40 IHAB CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(C)C(=S)N2Cc2ccc(F)cc2)cc1 2730024 KZJXQLIJSZFLAY-LJQANCHMSA-N 429.517 3.571 0 40 IHAB COc1cc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cc(OC)c1OC 3265764 RUUUGKUHRHPIRE-UHFFFAOYSA-N 439.537 3.980 0 40 IHAB COc1ccc(NC(=O)c2nc(S(=O)(=O)Cc3ccc(C)cc3)ncc2Cl)cc1 8613654 RDRUXBFRWTYRIL-UHFFFAOYSA-N 431.901 3.673 0 40 IHAB O=C(CN1C(=O)N[C@]2(CCSc3ccc(F)cc32)C1=O)Nc1ccc2ccccc2c1 8862424 KYPHPAIOZIYZCB-QHCPKHFHSA-N 435.480 3.861 0 40 IHAB COc1ccccc1/C=C1/SC(=O)N(CCC(=O)Nc2ccc3nccnc3c2)C1=O 8990688 ZFIQFGJNLKRCKX-XDHOZWIPSA-N 434.477 3.704 0 40 IHAB O=C1C[C@@H](CNS(=O)(=O)c2ccccc2C(F)(F)F)CN1c1ccc(Cl)cc1 9036788 JWQSMPHIKLOFAC-LBPRGKRZSA-N 432.851 3.690 0 40 IHAB CCc1nnc2sc(-c3ccc(NC(=S)NC(=O)c4ccc(F)cc4)c(C)c3)nn12 9064579 HBLLQUUIAOJKMV-UHFFFAOYSA-N 440.529 3.990 0 40 IHAB COc1ccc(OCc2nnc(S[C@@H]3C[C@@H](C)OC3=O)n2-c2ccccc2F)cc1 9205388 WMUGSACXVCHCSY-FZKQIMNGSA-N 429.473 3.790 0 40 IHAB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(C(=O)O)cc4)[C@@H]3C2=O)cc1 9307236 OQASDXQACGOCDP-FKBYEOEOSA-N 428.444 3.744 0 40 IHAB COc1ccc(Cc2nc3c4c(C)c(C)n(Cc5ccccn5)c4ncn3n2)cc1OC 9419905 NWVNUHVJPUDGKX-UHFFFAOYSA-N 428.496 3.747 0 40 IHAB O=C(CSc1nnnn1-c1cccc(F)c1)N[C@@H](c1ccc(F)cc1)c1cccs1 9868240 HTRUSEBHEPDDKC-IBGZPJMESA-N 443.504 4.000 0 40 IHAB Cc1nc(-c2ccc(CNC(=O)CNC(=O)c3ccc(Br)o3)s2)cs1 10105396 BKABNMJBHGOYJW-UHFFFAOYSA-N 440.344 3.582 0 40 IHAB COc1ccc(N(CC(=O)NCCCc2ccccc2)S(=O)(=O)c2ccccc2)cc1 10110189 GDYSEQDCQJPEFG-UHFFFAOYSA-N 438.549 3.640 0 40 IHAB C[C@@H](Sc1nnc(-c2ccccc2)n1-c1ccc(F)cc1F)C(=O)NC(=O)NC1CC1 10394981 CSGMNEIRAYTMIV-GFCCVEGCSA-N 443.479 3.681 0 40 IHAB CC[C@H](NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)c1ccc(C)cc1 11226131 PKSFEXYWATWJGJ-KRWDZBQOSA-N 446.477 3.935 0 40 IHAB CC(C)c1ncc(-c2ccccn2)c(-c2ccc(CNC(=O)c3ccn(C)c(=O)c3)cc2)n1 12220537 XVBNLWCZHOIUJA-UHFFFAOYSA-N 439.519 3.958 0 40 IHAB Cc1ccc(CNC(=O)CN2C(=O)N(c3cccc(C)c3)S(=O)(=O)c3ccccc32)cc1 12414855 CLNRRHLSCBGGCN-UHFFFAOYSA-N 449.532 3.755 0 40 IHAB COC(=O)C1CCN(C(=O)CSc2nc(-c3cccs3)nc3ccccc23)CC1 12424607 GMKGYPIGEBKAIY-UHFFFAOYSA-N 427.551 3.862 0 40 IHAB Cc1nc(-c2ccc(CNC(=O)c3ccc(S(=O)(=O)NC(C)C)cc3)cc2)cs1 12615512 FUOYJEGZSJIWKZ-UHFFFAOYSA-N 429.567 3.735 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)COc2ccc(F)cc2F)c1 12747916 ZZDANDVBKKWJHT-UHFFFAOYSA-N 432.876 3.666 0 40 IHAB C[C@@H](NC(=O)[C@@H](C)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1)c1ccc(F)cc1 12782707 IUIGUKFIVQFEDY-IAGOWNOFSA-N 440.515 3.758 0 40 IHAB C[C@@H]1C[C@@H](C)CN(C(=O)Cn2c(SCC(=O)NCc3ccco3)nc3ccccc32)C1 13082974 KCUBJXFTGKLWOT-IAGOWNOFSA-N 440.569 3.542 0 40 IHAB Cc1nc(SCC(=O)N2CCN(C(=O)c3cccs3)CC2)c2c(C)c(C)sc2n1 13112327 AGZKHERRVMZTDC-UHFFFAOYSA-N 446.623 3.755 0 40 IHAB Cc1cccc(CSc2nc(=O)c3c(n2C)NC(=O)C[C@H]3c2ccc3c(c2)OCO3)c1 13567484 WHKPUXFBMILSPS-INIZCTEOSA-N 435.505 3.584 0 40 IHAB COC(=O)c1cc(NS(=O)(=O)Cc2c(Cl)cccc2Cl)cc(C(=O)OC)c1 13683248 FAHIPFDYYZRWKK-UHFFFAOYSA-N 432.281 3.509 0 40 IHAB COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OC 13749414 VARQVJBNNLKMKN-VJBWXMMDSA-N 448.450 3.894 0 40 IHAB C[C@@H](NCC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)c1ccc(-c2ccccc2)cc1 14183662 PXIKLHWGRJHBGD-DVECYGJZSA-N 440.609 3.963 0 40 IHAB Cc1cccc(OCCCNC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)c1 16277561 BLTFAQGLPLSIKL-UHFFFAOYSA-N 434.533 3.508 0 40 IHAB Cc1cc2nc(C[C@@H](NC(=O)c3sc(C)nc3C)c3ccc(F)cc3)cc(O)n2n1 19129871 HDMDRBGLMBBVKL-QGZVFWFLSA-N 425.489 3.670 0 40 IHAB Cc1cc(-c2cnc(NCCNC(=O)c3cnc(C)nc3C)nc2-c2ccc(C)s2)on1 19217451 KYSVLVTZDAPMHG-UHFFFAOYSA-N 449.540 3.726 0 40 IHAB COCC(=O)N[C@H](c1ccccn1)C1CCN(Cc2cnc(-c3ccccc3C)nc2)CC1 19237545 ROCWPPBSTBOGDN-VWLOTQADSA-N 445.567 3.563 0 40 IHAB COc1ccc([C@H]2N(C(=O)C3(c4ccc(OC)cc4)CC3)CCC[C@]23CCC(=O)N3)cc1 19557353 URIKHIBEAWTTRN-BVAGGSTKSA-N 434.536 3.748 0 40 IHAB C=Cn1cc(CN2CCC(C[C@H]3CC(c4cccc(F)c4)=NO3)(C(=O)O)CC2)c(C)n1 19584168 VFQMUBMLWXQGMH-HXUWFJFHSA-N 426.492 3.681 0 40 IHAB COc1cc(C)c(CN2CC[C@H](c3nc(N(C)C)ncc3-c3cncnc3)C2)c(C)c1C 19695051 WBTNLGXDLMABHS-IBGZPJMESA-N 432.572 3.923 0 40 IHAB CC(=O)N[C@@H]1CCO[C@H](c2ccccc2NC(=O)c2nc3cc(Cl)ccc3n2C)C1 19712284 KCZHSRXBSOJQMQ-QRWLVFNGSA-N 426.904 3.835 0 40 IHAB O=C(COc1cccc2cccnc12)N1CC[C@@H]2[C@H]1CCCC(=O)N2Cc1ccc(F)cc1 19713143 KGBRWGZGJDLEDK-FGZHOGPDSA-N 447.510 3.935 0 40 IHAB Cc1nc(C2CCN(C(=O)c3ccccn3)CC2)nc2c1CCC(=O)N2Cc1ccccc1 19739395 VAFBFDOEGLGVNE-UHFFFAOYSA-N 441.535 3.679 0 40 IHAB CCCOc1ccc(N2C(=O)C[C@H](N3CCC(c4nc5ccccc5[nH]4)CC3)C2=O)cc1 19809425 KXGOGENTWLGAIM-QFIPXVFZSA-N 432.524 3.863 0 40 IHAB O=C(NCc1ccc(F)cc1)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 20016928 BUSZHZQWGMKQAH-AWEZNQCLSA-N 445.343 3.850 0 40 IHAB O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1)c1ccc2nsnc2c1 21595786 RKBBDZZBEAEHST-UHFFFAOYSA-N 443.532 3.906 0 40 IHAB O=C(Nc1ccc(I)cc1)c1cn2c3c(cccc3c1=O)CCC2 22235248 ZQXAQDANJWNKLK-UHFFFAOYSA-N 430.245 3.805 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)N(C)Cc2ccccc2)c2ccccc2F)cc1 22377989 URJKVQFGWNATDM-UHFFFAOYSA-N 442.512 3.688 0 40 IHAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCCCN3CCC(C)CC3)c2)cc1 24316328 QPDDUQGKDILBEB-UHFFFAOYSA-N 443.613 3.672 0 40 IHAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccc(OC[C@@H]2CCCO2)cc1)CC3 25451261 ZMUIKQYNLAGFDB-IBGZPJMESA-N 434.492 3.711 0 40 IHAB Cc1cc(C)c(NC(=O)COC(=O)c2ccccc2SCC(=O)NC2CC2)c(C)c1 25778168 MQTHCHWQMLEXIL-UHFFFAOYSA-N 426.538 3.778 0 40 IHAB CN(C)C(=O)COc1ccc(NC(=O)c2cnn(-c3ccccc3F)c2-n2cccc2)cc1 25995790 NJYFDGFAJXNGMV-UHFFFAOYSA-N 447.470 3.521 0 40 IHAB O=C(Nc1cccnc1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 26109536 IWKPWBBGPOHHQH-ZDUSSCGKSA-N 428.341 3.569 0 40 IHAB CN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)CSc1nccn1C1CC1 29074813 KVOSQYQDDJNJJU-UHFFFAOYSA-N 448.614 3.902 0 40 IHAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(N2CCN(C)CC2)nc1 30031097 JAZQIYUHSSOXAY-UHFFFAOYSA-N 429.883 3.842 0 40 IHAB CC(=O)NCc1ccc(-c2csc(NC(=O)c3cccc(Nc4ncccn4)c3)n2)o1 30578257 XYQKSIWDHOXVIG-UHFFFAOYSA-N 434.481 3.825 0 40 IHAB C[C@H](NC(=O)CSc1nncc2c1[nH]c1ccc(F)cc12)c1ccc2c(c1)OCCO2 32752921 KSTDLWGJNRQLFM-LBPRGKRZSA-N 438.484 3.991 0 40 IHAB COc1ccccc1-c1noc(COC(=O)c2cc(-c3ccco3)nc3c2c(C)nn3C)n1 32754578 IUVGLDIDIQILOP-UHFFFAOYSA-N 445.435 3.952 0 40 IHAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)O[C@@H](C)c1nc4sc(C)c(C)c4c(=O)[nH]1)(C3)C2 32957587 CRPZKIYZVCATHT-RBVYLEGVSA-N 443.569 3.681 0 40 IHAB O=C(NC[C@@H]1COc2ccccc2C1)c1ccc(Cl)cc1I 33222276 QHMHRQZKPHCNAV-LLVKDONJSA-N 427.669 3.926 0 40 IHAB CCc1ccc(NC(=O)Cn2nc3c4cc(-c5ccc(Cl)cc5)nn4ccn3c2=O)cc1 38487382 GIIHIEQHLHMXJT-UHFFFAOYSA-N 446.898 3.665 0 40 IHAB Cc1ccc2nc(CSc3nnc(NC(=O)Nc4ccccc4F)s3)cc(=O)n2c1 41086270 DCZHLOGNFSXUCP-UHFFFAOYSA-N 442.501 3.930 0 40 IHAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 48254110 UXNIBQGESJRTSH-UHFFFAOYSA-N 432.505 3.899 0 40 IHAB COc1cccc(-c2cc(=O)n(CC(=O)Nc3ccc(Br)cc3C)c(C)n2)c1 49404746 VIIVZOZVIIXBCW-UHFFFAOYSA-N 442.313 3.937 0 40 IHAB COc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccc(OC)cc4)CC3)cc2)cc1 57317171 UDMSCMOEYSBCDF-UHFFFAOYSA-N 445.519 3.919 0 40 IHAB O=C(Cn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2sccc21)NCCC1=CCCCC1 57491739 SNTWVTBVUAGGQX-UHFFFAOYSA-N 443.956 3.874 0 40 IHAB CCOc1ccc(NC(=O)Cn2c(=O)n(-c3cc(C)cc(C)c3)c(=O)c3sccc32)cc1 57492056 NEHTXUIGJIYNFY-UHFFFAOYSA-N 449.532 3.868 0 40 IHAB C[C@H](c1nc(-c2cccs2)no1)S(=O)(=O)Cc1ccc(C(=O)N2CCCC2)cc1 58016239 OZLPCAUPILKOBY-CQSZACIVSA-N 431.539 3.710 0 40 IHAB O=C1COc2cc(S(=O)(=O)Oc3ccc(Cl)c4cccnc34)c(Cl)cc2N1 58407625 FNWIWDJMQSBXNX-UHFFFAOYSA-N 425.249 3.640 0 40 IHAB COc1cccc(N2CCN(c3nccn4nc(-c5ccc(OC)c(OC)c5)cc34)CC2)c1 67285343 OHDJGMVWSJKUHA-UHFFFAOYSA-N 445.523 3.749 0 40 IHAB CCS(=O)(=O)N1CCCC[C@H]1c1nnc(C2CCN(Cc3cccc(C)c3)CC2)o1 72344904 GVZDQQIIFMPCQH-FQEVSTJZSA-N 432.590 3.634 0 40 IHAB O=C(c1ccccc1F)N1CCC[C@@H](c2nc(N3CCOCC3)ncc2-c2cccnc2)C1 72348001 XOHXTJGIQSGYML-LJQANCHMSA-N 447.514 3.534 0 40 IHAB CC[C@H](NC(=O)CCc1c(C)c2ccc(OC)cc2oc1=O)[C@@H](O)c1ccccc1F 78994779 YVSBCHPIIDHMSB-REWPJTCUSA-N 427.472 3.810 0 40 IHAB O=C(OCC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1c[nH]c2ccc(Br)cc12 84451719 MPSHQUGWCGONGJ-SNVBAGLBSA-N 433.224 3.888 0 40 IHAB COc1ccc([C@@H]2SCC(=O)Nc3c2c(O)nn3[C@H]2CCOC(C)(C)C2)cc1OC 96116705 IXCIPJWUUATRFN-UGSOOPFHSA-N 433.530 3.511 0 40 IHAB Cc1ccc(=O)n(CC2(O)C[C@@H]3CC[C@@H](C2)N3Cc2cn(C(C)C)c3cc(F)ccc23)n1 100737919 WYNVJAQMQGVUKY-SFTDATJTSA-N 438.547 3.785 0 40 IHAB Cc1cc(C)cc(OC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1 102077363 GFUCHNKWMANOHB-UNVPUSBVSA-N 441.527 3.873 0 40 IHAB C[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1)c1ccc(F)cc1 113949106 ANBSWEMAFGNEAD-HNNXBMFYSA-N 438.952 3.898 0 40 IHAB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)cc1C 138909463 YYBFHLAZLZZWGN-UHFFFAOYSA-N 444.336 3.956 0 40 IHAB CC1(C)[C@@H]2CC[C@]1(C)[C@@H](NC(=O)C1CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC1)C2 195532282 VBIMVPWQQQESTK-QOEFQVSFSA-N 440.556 3.697 0 40 IHAB COc1ccc(Cl)cc1NC(=O)C(=O)NCc1ccc(C(=O)c2ccsc2)s1 206681801 XSVAWEOUJSLYLF-UHFFFAOYSA-N 434.926 3.958 0 40 IHAB CC[C@H](C(=O)NCCCc1cccc(OC(C)C)c1)N(c1ccccc1)S(C)(=O)=O 219083834 DVQCZNCCXNFXRW-JOCHJYFZSA-N 432.586 3.767 0 40 IHAB COc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3cc(C)cc(C)c3)n2)c(OC)c1 219554092 DJHZUGPIFNYPOD-MRXNPFEDSA-N 425.485 3.797 0 40 IHAB Cc1ccccc1OC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 220007597 RYVPCIHSUTYOBX-LJQANCHMSA-N 430.570 3.757 0 40 IHAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2C2CCCCC2)N1CCN1CCOCC1 223150034 WXLQYVBAIAIHQG-PKTZIBPZSA-N 439.629 3.693 0 40 IHAB CCCSc1nnc(NC(=O)CCCN(c2ccc(CC)cc2)S(C)(=O)=O)s1 223668592 JJSNPWWFMUKCPF-UHFFFAOYSA-N 442.632 3.788 0 40 IHAB O=C(NCCSC1CCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 225555825 QOSLCFIDKALUEW-UHFFFAOYSA-N 431.023 3.920 0 40 IHAB COc1cccc(CC(=O)N2CCC(c3cc(C(=O)Nc4ccccc4F)[nH]n3)CC2)c1 225562067 WGFXKOVMYMWWHD-UHFFFAOYSA-N 436.487 3.758 0 40 IHAB COc1ccc(CNS(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2)cc1 225740263 RCVVLWRRDFTGLN-UHFFFAOYSA-N 440.546 3.598 0 40 IHAB Cc1cc(Br)cc(C)c1NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 226056953 ADOKNBJCRRJILP-UHFFFAOYSA-N 445.766 3.979 0 40 IHAB O=S(=O)(c1ccccc1OC(F)(F)F)N1CC[C@@H](Oc2ccc3ccccc3n2)C1 245093463 ROLQDHQYWPITIO-OAHLLOKOSA-N 438.427 3.975 0 40 IHAB O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 247724785 CZVLSYKJZKCMNO-PVMRSWARSA-N 446.956 3.601 0 40 IHAB Cc1ncsc1C(=O)N1CC[C@H](Oc2ccc(F)cc2)[C@@H](CC(=O)N2CCCCC2)C1 257244934 INKDPUZQGXHTGX-PXNSSMCTSA-N 445.560 3.903 0 40 IHAB CCCCC(=O)N1CCO[C@@](COc2cccc(Cl)c2)(CC(=O)N2CCCCC2)C1 257333827 YDFTXZZAEDGWDX-QHCPKHFHSA-N 436.980 3.909 0 40 IHAB CCS(=O)(=O)N(C)c1ccc(C(=O)N2c3ccc(Br)cc3C[C@H]2C)cc1 260833602 ZSIBJAKAACRUAY-CYBMUJFWSA-N 437.359 3.826 0 40 IHAB Cc1ccc(CNC(=O)c2nc(-c3ccnn3-c3ccc(F)cc3)n3ccncc23)cc1 306131699 KNFAATAZZGTBGB-UHFFFAOYSA-N 426.455 3.960 0 40 IHAB CCCNS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)CCc2ccccc2)c(Cl)c1 408584266 NPPUQHJUOUOJNI-INIZCTEOSA-N 438.977 3.545 0 40 IHAB CCOC(=O)c1ccc(NC(=O)c2ccccc2N2C(=O)[C@@H]3CC=C(C)C[C@H]3C2=O)cc1 408678527 FQZHVAHOMQNIKV-UYAOXDASSA-N 432.476 3.961 0 40 IHAB COc1cc(/C=C2/NC(=O)NC2=O)c(Br)cc1OCc1ccc(Cl)cc1 408916965 JSGAVHJSDYSRFL-MKMNVTDBSA-N 437.677 3.870 0 40 IHAB C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(N)=O)C(=O)N2CCCCCc1nc2ccccc2[nH]1 524733267 KBMWBTXUAFZRIF-WVBBGBOVSA-N 432.524 3.502 0 40 IHAB COc1cccc(C(=O)N2CCN(C)C(=O)[C@@H]2Cc2ccccc2-c2ccccc2)c1OC 585169020 OFIVPNIPWNTALM-QHCPKHFHSA-N 444.531 3.896 0 40 IHAB COc1ccc([C@H]2CCCN2C(=O)NCc2cccc(CN3CCOCC3)c2)c(OC)c1 616122274 ASKSPZUZUAJJTD-HSZRJFAPSA-N 439.556 3.583 0 40 IHAB Cc1nc2ccccc2c(C)c1Cc1nc(-c2cccc([C@@]3(C)NC(=O)NC3=O)c2)no1 680736537 MUYWINYDMOWIQN-XMMPIXPASA-N 427.464 3.547 0 40 IHAB N[C@@H](Cc1cc(Br)c(Oc2ccc(O)cc2)c(Br)c1)C(=O)O 1711133 CKVYEYDIBPHSSM-ZDUSSCGKSA-N 431.080 3.664 0 40 IHAB Cc1ccc(NC(=O)[C@H](C)OC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1Cl 1791559 UXENYNODOSWXGM-AWEZNQCLSA-N 428.872 3.595 0 40 IHAB COc1cc([C@@H]2CC(=O)c3cnc(N4CCc5ccccc5C4)nc3C2)cc(OC)c1OC 2421951 MLBGYKIEPPSZLH-SFHVURJKSA-N 445.519 3.978 0 40 IHAB biogenic Cc1cc2c(cc1C)N[C@H](CC(=O)Nc1ccc(I)cc1)C(=O)N2 2642269 PRNLVPYIRRBBMD-MRXNPFEDSA-N 435.265 3.669 0 40 IHAB CCOC(=O)c1sc2ncnc(OCC(=O)N[C@H]3CCCc4ccccc43)c2c1C 2645452 MXQKEDGSSQRQOA-INIZCTEOSA-N 425.510 3.749 0 40 IHAB COC(=O)N[C@@H](NC(=S)Nc1cccc(Br)c1)C(Cl)(Cl)Cl 3168239 QTCZUQVQKWJSAL-MRVPVSSYSA-N 435.558 3.788 0 40 IHAB CCOc1cc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc(Br)c1OC 3347520 NFAKONTXGKGGFN-UHFFFAOYSA-N 435.318 3.945 0 40 IHAB NC(=O)c1c(NC(=O)COC(=O)c2ccccc2Oc2ccccc2)sc2c1CCC2 3380032 CXJCQNJXGCFFKM-UHFFFAOYSA-N 436.489 3.924 0 40 IHAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(Br)cc3C)n2N)cc1 3500108 WTVBFTWUOUHTLO-UHFFFAOYSA-N 432.347 3.769 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCCCCC3)C2)cc1Cl 7604604 JHCDGEJKSMWVLZ-INIZCTEOSA-N 428.982 3.542 0 40 IHAB Cc1ccc(SCCNC(=O)CN2C(=O)N[C@@](C)(c3cccc4ccccc34)C2=O)cc1 8705734 CSKCKZJMMCGAPD-VWLOTQADSA-N 447.560 3.824 0 40 IHAB CCn1c(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)nc2ccccc21 8720034 WMFQYMJTEHHKME-UHFFFAOYSA-N 444.582 3.572 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NCc1nc(-c2cccs2)no1 8744627 SDUGKKSWGIKXFL-UHFFFAOYSA-N 434.543 3.593 0 40 IHAB CCCCNS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(N(C)C)cc3)sc2c1 8791423 REBLPAXURDUIAC-UHFFFAOYSA-N 432.571 3.693 0 40 IHAB CC(C)[C@@H](NC(=O)CSc1nnnn1-c1ccccc1Cl)c1nc2ccccc2[nH]1 8973053 NPZIILURXDOGQE-GOSISDBHSA-N 441.948 3.798 0 40 IHAB Cc1c(C)c2ccc(O[C@@H](C)C(=O)NC3CCN(Cc4ccccc4)CC3)cc2oc1=O 9187400 YCHZXHRQRLSWIZ-IBGZPJMESA-N 434.536 3.958 0 40 IHAB COc1ccc(CN(Cc2cccs2)C(=O)c2n[nH]c(=O)c3ccccc23)cc1OC 9223096 QTYQNOVHNQBVHA-UHFFFAOYSA-N 435.505 3.844 0 40 IHAB CC(C)c1nc2sc3c(N(C[C@@H](C)O)C[C@@H](C)O)ncnc3c2c2c1COC(C)(C)C2 9281667 NXAUCXXODAHPJW-ZIAGYGMSSA-N 444.601 3.782 0 40 IHAB Cc1ccc(C)c(OCc2nnc(S[C@@H](C)C(=O)Nc3ccc4c(c3)OCO4)n2C)c1 9303735 AQRYQMRHJWGXMV-HNNXBMFYSA-N 440.525 3.859 0 40 IHAB COc1ccccc1C[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(-c3ccccc3)cc2)C1=O 9315472 FSOTXYLTFVAXIG-SANMLTNESA-N 443.503 3.854 0 40 IHAB C[C@H]1CCc2sc(C(=O)N3CCN(S(=O)(=O)/C=C/c4ccccc4)CC3)cc2C1 9315560 QOKNRYODRLZSJR-ZGUWOUCSSA-N 430.595 3.631 0 40 IHAB O=C(CCc1nc2ccccc2c(=O)[nH]1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 9377956 RGXXGZOIPSHKGO-UHFFFAOYSA-N 447.516 3.922 0 40 IHAB CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)NCC1CCCCC1 9492410 NPYCZKDKBANKQD-QGZVFWFLSA-N 427.408 3.997 0 40 IHAB C[C@H](CCc1ccccc1)NC(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O 9532594 FYDAYUIKOPIWFJ-DWXRJYCRSA-N 429.520 3.744 0 40 IHAB O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(N2CCOCC2)cc1)c1ccccc1 9647719 KGFAHPZMKNUHLQ-DEOSSOPVSA-N 429.520 3.503 0 40 IHAB C[C@@H](NC(=O)c1ccc(NC(=O)CSc2nnnn2C)cc1)c1ccc2ccccc2c1 9751488 XLMVFSQNUNTFMF-OAHLLOKOSA-N 446.536 3.585 0 40 IHAB COc1ccc(CCNC(=O)CCc2csc(NC(=O)c3cccs3)n2)cc1OC 11834951 DDDXPGIOPNVQBV-UHFFFAOYSA-N 445.566 3.766 0 40 IHAB COc1ccc(OC)c(C(=O)CSc2nnc(N3CCCCC3)n2Cc2ccco2)c1 12216068 MTHPJMOWOYWTQR-UHFFFAOYSA-N 442.541 3.902 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1[C@H]1C(=O)NCCN1Cn1c(=S)oc2ccccc21 12522773 XNHCRERRAGUUTF-NRFANRHFSA-N 433.537 3.897 0 40 IHAB CN(C)S(=O)(=O)c1cccc(CSc2nnc(C3CC3)n2Cc2ccccc2)c1 12581504 RCFABNMLXDLDKB-UHFFFAOYSA-N 428.583 3.746 0 40 IHAB O=C(COc1cccc(Cl)c1)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O 12775903 LJRHVNHYPLCSLF-YVLHZVERSA-N 434.876 3.711 0 40 IHAB CCCCNC(=O)CN1CCN(c2nc(C)nc3scc(-c4cccs4)c23)CC1 12921261 QYLCUKLWWHPGQA-UHFFFAOYSA-N 429.615 3.767 0 40 IHAB COc1ccc([C@@H](CNC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)N2CCOCC2)cc1 12926366 GLKNLIUIDQUHJL-RUZDIDTESA-N 433.552 3.859 0 40 IHAB Cc1csc(N(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c2ccccc2)n1 13165310 JMNNHFKJOBRMOY-MRXNPFEDSA-N 435.505 3.941 0 40 IHAB Cn1c(=O)c(=O)n(C)c2cc(N3CCCCC3)c(NC(=O)c3ccc(C(C)(C)C)cc3)cc21 13364474 VXFONIHJKMMNCS-UHFFFAOYSA-N 448.567 3.777 0 40 IHAB COc1cccc(C(=O)Nc2cccc(OCc3cc(=O)n4nc(C5CC5)sc4n3)c2)c1 13368315 FHRSBQLQOZELRD-UHFFFAOYSA-N 448.504 3.868 0 40 IHAB Cc1ccc(N(CC(=O)NC2CCCCC2)C(=O)CCC(=O)Nc2nccs2)cc1 13501724 REBJTDUKNURPCM-UHFFFAOYSA-N 428.558 3.652 0 40 IHAB COc1ccc(NC(=O)C2CCC(Cn3nnc4ccccc4c3=O)CC2)cc1Cl 13554901 GGXNGHGWEYIOIU-UHFFFAOYSA-N 426.904 3.899 0 40 IHAB CSCC[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)c1nnc2ccccn12 13592273 VIZMQSUSCOSFQX-ZDUSSCGKSA-N 430.477 3.521 0 40 IHAB COCCNC(=O)c1ccccc1NC(=O)COc1ccc(C(C)C)cc1Br 13683923 DMUQXHVVPMGCCP-UHFFFAOYSA-N 449.345 3.966 0 40 IHAB COC(=O)[C@H](CC(=O)c1ccc(Cl)cc1)c1cc(=O)oc2c(OC)c(OC)ccc12 13687668 MAEKDXIEJHVKDC-MRXNPFEDSA-N 430.840 3.993 0 40 IHAB CC(=O)Oc1ccc(C(=O)N(C(=O)c2ccc(OC(C)=O)cc2)c2ccc(C)cn2)cc1 13944191 APSDMHSKDULBKL-UHFFFAOYSA-N 432.432 3.728 0 40 IHAB COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N3[C@H](C)CCC[C@H]3C)cc2)cc1F 15020330 BPYBLTSUDGDTGA-HZPDHXFCSA-N 434.533 3.967 0 40 IHAB CCOC(=O)C1CCN(C[C@@H](O)COc2ccc3cc(Br)ccc3c2)CC1 15879595 AQDFFXPXIYYFSL-LJQANCHMSA-N 436.346 3.617 0 40 IHAB CC(C)COc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)cc1 15940545 QBKAFWOLIOCOLZ-UHFFFAOYSA-N 439.556 3.647 0 40 IHAB COc1ccc(Br)cc1CN(C)C(=O)COc1ccc(N2CCCC2=O)cc1 17957809 XSYQEAIKSIJWCE-UHFFFAOYSA-N 447.329 3.622 0 40 IHAB CN(C)c1cc(C2CCN(C(=O)c3cnc(C(C)(C)C)nc3)CC2)nc(-c2cccnc2)n1 19084766 GPOHQPPQYSFEKA-UHFFFAOYSA-N 445.571 3.712 0 40 IHAB Cc1ccc([C@@H](O)c2cccc(F)c2N2CCN(Cc3cnc(C(C)C)nc3)CC2)nc1 19215699 AWLKKFMWIKPNHW-DEOSSOPVSA-N 435.547 3.846 0 40 IHAB CCc1ncc(CN2CC[C@@](Cc3ccc(-c4ccncc4)cc3)(C(=O)N(C)C)C2)cn1 19523320 ZAMVTTNQZBQIEA-SANMLTNESA-N 429.568 3.624 0 40 IHAB COc1ccc(C(=O)N2CCCC[C@H]2c2nc(-c3ccsc3)cc(=O)[nH]2)c(OC)c1 19551942 QRSBBOVBSMUHCZ-SFHVURJKSA-N 425.510 3.883 0 40 IHAB CNc1cc(C2CCN(C(=O)c3cccc(OC)c3OC)CC2)nc(-c2cccnc2)n1 19592228 VQXSQENGQBHRJF-UHFFFAOYSA-N 433.512 3.617 0 40 IHAB COCC(=O)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2cc3c(cc2OC)CCCC3)C1 19592989 UBYJPRQFSOUNTN-LVXARBLLSA-N 437.584 3.685 0 40 IHAB O=C(NCCc1nc(-c2ccccc2)ncc1C(=O)Nc1ccccc1F)c1cccnc1 19696489 QQLIXIKPZCMBFF-UHFFFAOYSA-N 441.466 3.903 0 40 IHAB COc1ccc([C@@H](C)NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCCCC3)c2)cc1 20025101 AHVHLQHTHPMCEG-QGZVFWFLSA-N 446.569 3.760 0 40 IHAB Cc1ccc(C)c([C@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)c1 20043835 DLDCQFDCXXQMKS-SFHVURJKSA-N 432.561 3.862 0 40 IHAB Cc1ccc(C(=O)Nc2nnc(CC(C)C)s2)cc1S(=O)(=O)NCc1ccccc1 21746167 CZQSGORWYWTKAE-UHFFFAOYSA-N 444.582 3.776 0 40 IHAB Cc1c(Cl)cccc1N(CC(=O)NCCCc1ccc(Cl)cc1)S(C)(=O)=O 22337209 VTHZJHZKCKWVRH-UHFFFAOYSA-N 429.369 3.817 0 40 IHAB O=C(NCc1ccc2c(c1)OCO2)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 22516980 PSMPUTRJMFILEP-UHFFFAOYSA-N 444.896 3.800 0 40 IHAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C)cc2)cc1C(=O)N1CCC(C)CC1 22528507 VOORGLCSBSSODI-GOSISDBHSA-N 430.570 3.915 0 40 IHAB CSc1ccc([C@@H](c2c(O)cc(C)n(Cc3ccco3)c2=O)N2CCN(C)CC2)cc1 22698285 QLTRRWWFOBDVED-QHCPKHFHSA-N 439.581 3.562 0 40 IHAB COc1cccc(NC(=O)C(=O)NC[C@@H](c2cccs2)N2CCc3ccccc3C2)c1 22908194 UJBRDTAVVXVEAJ-NRFANRHFSA-N 435.549 3.611 0 40 IHAB CCCC1(CCC)NC(=O)N(CC(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)C1=O 23104169 OZCBAZZAPHMOSM-UHFFFAOYSA-N 425.533 3.627 0 40 IHAB O=C1CCCN1Cc1nnc(SCCOc2cccc(Cl)c2)n1-c1ccccn1 24196589 BYWUAVVXHGIHKZ-UHFFFAOYSA-N 429.933 3.609 0 40 IHAB CSc1cccc(N2C[C@@H](C(=O)N3CCN(c4cccc(Cl)c4)CC3)CC2=O)c1 27064663 KTHVZNCNALGZIG-INIZCTEOSA-N 429.973 3.764 0 40 IHAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)Cc1csc(-c2ccccc2Cl)n1 32872078 LEMYVZRPLYKMNP-UHFFFAOYSA-N 430.942 3.963 0 40 IHAB Nc1c(C(=O)NCc2ccccc2Cl)nsc1C(=O)NCc1cc(F)cc(F)c1 33171892 LLEYAAXIPKDKMB-UHFFFAOYSA-N 436.871 3.517 0 40 IHAB CC1(C)S[C@@H]2c3ccccc3C(=O)N2[C@H]1C(=O)NCCC(=O)Nc1ccc2[nH]ccc2c1 36579825 NUNSYMMDKWBLQK-NZQKXSOJSA-N 448.548 3.661 0 40 IHAB CCCN(Cc1nnc(-c2ccccc2)o1)S(=O)(=O)c1c(C)nn(C(F)F)c1C 36614926 GFYDVRJBONUDJF-UHFFFAOYSA-N 425.461 3.546 0 40 IHAB COCCCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2Cl)n2c1nc1ccccc12 39963991 PAXBOCJUAODFKA-IBGZPJMESA-N 426.904 3.951 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)C(F)(F)c1ccccc1 40114823 CLFJTBMBHDYOAE-UHFFFAOYSA-N 426.485 3.846 0 40 IHAB COc1cccc([C@H]2CC(O)=Nc3c2c(C)nn3-c2ccc3nnc(C)n3n2)c1OC(C)C 40286470 PNXITRFOBZUQIT-MRXNPFEDSA-N 447.499 3.846 0 40 IHAB CCOc1ccc(C(=O)NCc2cc(=O)n3nc(-c4ccccc4Cl)sc3n2)cc1 41089888 NCVPICVQCHKYMC-UHFFFAOYSA-N 440.912 3.800 0 40 IHAB CCCCn1c(=O)c2sccc2n(CC(=O)Nc2ccccc2C(F)(F)F)c1=O 57427127 NCMFDWBNOUWJLX-UHFFFAOYSA-N 425.432 3.682 0 40 IHAB CCc1ccccc1NC(=O)Cn1c(=O)n(CCc2cccs2)c(=O)c2sccc21 57493822 GYLXRHYQIISPTF-UHFFFAOYSA-N 439.562 3.730 0 40 IHAB CCN(C(=O)COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1)C1CCCCC1 70011159 UPAMEJCKKMADNQ-NRFANRHFSA-N 438.524 3.571 0 40 IHAB CN(C)c1ccc(C(=O)N2CCC(c3nc(C4CC4)[nH]c(=O)c3-c3ccncc3)CC2)cc1 72354305 JRNQGKBZKPITRS-UHFFFAOYSA-N 443.551 3.795 0 40 IHAB CC(=O)N1CCCCC[C@H]1Cc1c(C(=O)NCc2nonc2C)sc2ccccc12 72370793 ZTQYVOMNWHEVJP-INIZCTEOSA-N 426.542 3.856 0 40 IHAB COc1ccc(CN(Cc2cc(=O)oc3cc(OC)ccc23)c2cnn(C)c2)c(OC)c1 78970068 LFCXBKHTTRICRH-UHFFFAOYSA-N 435.480 3.759 0 40 IHAB COc1ccc(NC(=O)COc2cccc(C)c2C)cc1S(=O)(=O)N1CCCCC1 89688761 KEIVFAMQYJOUAP-UHFFFAOYSA-N 432.542 3.504 0 40 IHAB O=c1c2c(CO)c(-c3ccc(F)cc3)nn2ccn1Cc1ccc(Br)cc1F 90610208 GAZUGXBMHFBGCW-UHFFFAOYSA-N 446.251 3.744 0 40 IHAB Cc1cnc(NC(=O)[C@H]2CC[C@H](CNS(=O)(=O)c3ccc(Cl)cc3)CC2)s1 101492855 ZRIPNNJMPJMASP-OKILXGFUSA-N 427.979 3.828 0 40 IHAB CC(C)(C)OC(=O)N[C@]1(CN)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 218631910 UGWFIKWKIQAQFF-LVCYWYKZSA-N 436.961 3.502 0 40 IHAB CC[C@H](NC(=O)[C@H](CC)N(c1ccc(C)cc1)S(C)(=O)=O)c1ccc(OC)c(OC)c1 219104242 XWDLDMMHGSOSJO-PMACEKPBSA-N 448.585 3.824 0 40 IHAB CCOc1ccc(CNC(=O)CCCN(c2ccc(C)cc2)S(C)(=O)=O)cc1OCC 219625026 LFXGVZNHXPFSKC-UHFFFAOYSA-N 448.585 3.655 0 40 IHAB C[C@@H](C(=O)Nc1ccc(Br)cc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220443255 FPHMTRJGKAUNBA-JTQLQIEISA-N 433.274 3.521 0 40 IHAB O=C(c1cc(-c2ccc(F)cc2)c[nH]1)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 220863106 VOOLLAXONXVXGF-OAHLLOKOSA-N 432.459 3.756 0 40 IHAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)COc1cc(OC)cc(OC)c1 222398488 DOTVVEPJTAFKAE-QHCPKHFHSA-N 442.556 3.723 0 40 IHAB Cc1ccccc1N(CCCC(=O)Nc1cccc(Br)c1)S(C)(=O)=O 222549743 CNBCEQUDNBSOIT-UHFFFAOYSA-N 425.348 3.942 0 40 IHAB COc1cccc(N(CCCC(=O)Nc2ccc(Br)cc2)S(C)(=O)=O)c1 222587486 QKAUDEZXZAINHH-UHFFFAOYSA-N 441.347 3.643 0 40 IHAB C[C@@H](C(=O)NCc1cccc(C(F)(F)F)c1)N(c1cccc(Cl)c1)S(C)(=O)=O 223351894 KVAKJVSTDKSDAH-LBPRGKRZSA-N 434.867 3.830 0 40 IHAB COc1ccc(OC[C@H](C)NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)cc1 223915502 UKVSEIZZVBWIIO-KRWDZBQOSA-N 440.521 3.693 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)[C@@H]1COc2ccccc2O1 224542135 UMJPMJJOLKFJQB-FQEVSTJZSA-N 444.896 3.919 0 40 IHAB CCCc1ccc(OCCNC(=O)CCCN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 224657769 UZQSJKNFJLMVTJ-UHFFFAOYSA-N 446.613 3.997 0 40 IHAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@@H](C)Oc1cccc2c1CCCC2 225835420 AOXYLWDEIZUUIT-MRXNPFEDSA-N 446.569 3.667 0 40 IHAB S=C(NCc1ccccc1)Nc1nc(Sc2ncccn2)cc(N2CCCCC2)n1 225927521 OQOZWOIPMCKJSY-UHFFFAOYSA-N 437.598 3.895 0 40 IHAB COc1ccc(NC(=O)[C@@]23C[C@@H]2CN(c2ccc(Cl)cc2)S3(=O)=O)cc1Cl 225939112 CWMSAISFZHDKBR-ADLMAVQZSA-N 427.309 3.549 0 40 IHAB COC(=O)[C@]1(c2ccccc2)N[C@H](c2ccccc2C)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 245230493 SVOQZGUANHTOFH-QSGNWFJVSA-N 440.499 3.514 0 40 IHAB CCCC[C@H](NC(=O)COc1ccc([C@H]2Cc3ccccc3C(=O)O2)cc1C)C(=O)O 256028218 YZXRBTSWMKCPFA-PZJWPPBQSA-N 425.481 3.588 0 40 IHAB Cn1cc(C(=O)N2CCC3(CC2)CO[C@H]([C@@]2(C)CC[C@@H](C(C)(C)O)O2)C3)c2ccccc21 257250148 JLFXYNPPFBLWKS-WRALFONMSA-N 440.584 3.898 0 40 IHAB Cc1ccccc1CN1CC[C@@H](c2cc3nc(C)c(CCC(=O)NC4CC4)c(C)n3n2)C1 257325981 WVGNZCCDIDACSB-OAQYLSRUSA-N 431.584 3.855 0 40 IHAB CCCCNS(=O)(=O)c1ccc(OCC(=O)N2CCC(Cc3ccccc3)CC2)cc1 408559590 WEQYSCTUSOBEPN-UHFFFAOYSA-N 444.597 3.625 0 40 IHAB COc1ccc(OC)c(NC(=O)COC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)c2ccccc2)c1 408647240 BJOZVDWCEXUWAD-ODYPEACGSA-N 437.492 3.731 0 40 IHAB Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)c2)cc1C 408653322 FEWCUTYWDMKTCC-NHCUHLMSSA-N 434.492 3.779 0 40 IHAB Cc1cc(OC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)ccc1N1C(=O)CCCC1=O 408670567 SPRODIHXTDKUCX-SFHVURJKSA-N 434.492 3.614 0 40 IHAB COc1ccc([C@@H]2[C@@H](NC(=O)c3cccc(C)c3)C(=O)N/[N+]2=C\c2ccc(Cl)cc2)cc1 409056316 CNYUGAOHTYKHHS-VNGKGULCSA-O 448.930 3.673 0 40 IHAB O=C(CN1C(=O)S/C(=C\c2ccc(I)o2)C1=O)c1ccccc1 409227011 XAQZJZKNKFRKKP-JYRVWZFOSA-N 439.230 3.803 0 40 IHAB O=C1NCc2ccc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)c3ccc(F)cc3F)cc21 503400248 XRZOLVORSDXTPW-ZEWGMFERSA-N 439.462 3.620 0 40 IHAB COc1ccc(-c2cc(C(F)(F)F)nc(SCCC(=O)N3CCOCC3)n2)cc1 920442 JBQOQFMAQHFESO-UHFFFAOYSA-N 427.448 3.512 0 40 IHAB COc1ccc(S(=O)(=O)N2CCS[C@H]2c2cc(Br)ccc2OC)cc1 1067872 HKYYCURCCMWZLR-KRWDZBQOSA-N 444.372 3.903 0 40 IHAB COc1ccc(-n2c(=O)c3c4c(sc3n3c(SC)nnc23)CO[C@@H](C(C)C)C4)cc1 1241867 LHLFCISWNXHFBN-OAHLLOKOSA-N 442.566 3.923 0 40 IHAB COc1ccc2nc(NC(=O)CSc3nnnn3-c3ccc(C)cc3C)sc2c1 1353377 UKKURQBAPKBHQM-UHFFFAOYSA-N 426.527 3.628 0 40 IHAB O=C(NC1CCCC1)[C@@H](c1ccncc1)N(C(=O)c1ccco1)c1ccc2c(c1)OCCO2 1380001 OAKSHDITDVCCMZ-HSZRJFAPSA-N 447.491 3.893 0 40 IHAB CC[C@@H](C)N1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2cccc(OC)c2OC)C1=O 2100648 KOFQMJHFDMHQST-VNOPPTIDSA-N 447.535 3.669 0 40 IHAB biogenic COc1ccc(NC(=O)Cn2c3c(sc2=O)[C@H]2c4ccccc4OC[C@@H]2CS3)cc1 2405003 IFOYPCNDWLAKSH-BFUOFWGJSA-N 440.546 3.803 0 40 IHAB C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)cc3F)c2)C[C@@H](C)O1 2616623 NJJCRJPTFSTEGG-CHWSQXEVSA-N 426.897 3.529 0 40 IHAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)COc2ccc(Cl)cc2Cl)cc1 2636594 FEYPMWQUAPKTGH-LLVKDONJSA-N 425.268 3.901 0 40 IHAB C[C@@H]1CCc2c(sc3nc(SCC(=O)NC4CC4)n(-c4ccccc4)c(=O)c23)C1 2639673 ANKHTAHIHBEHOT-CYBMUJFWSA-N 425.579 3.943 0 40 IHAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 2640083 YGYZQVRRAKVAJR-LLVKDONJSA-N 426.454 3.543 0 40 IHAB CCCCn1c(=O)c(CCC(=O)OCC(=O)N[C@H](C)c2ccccc2)nc2ccccc21 2663770 QITZUOOHKHVCNX-GOSISDBHSA-N 435.524 3.550 0 40 IHAB O=C(CSc1nc2sc3c(c2c(=O)n1C1CCCC1)CCCC3)NC[C@H]1CCCO1 3367695 JFDKXSTUOJUVIY-OAHLLOKOSA-N 447.626 3.839 0 40 IHAB Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1 3453561 QCZCTBDRMONELU-SFHVURJKSA-N 444.553 3.662 0 40 IHAB C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1-c1ccc(Cl)cc1)C(=O)NC(N)=O 3521729 BKYFZDPBQOSUNU-LLVKDONJSA-N 440.916 3.745 0 40 IHAB C[C@@H](CCc1ccccc1)NC(=O)CCCC(=O)N1CCN(c2ccc(F)cc2)CC1 4704272 XFUVMRIQJKBRFM-FQEVSTJZSA-N 425.548 3.782 0 40 IHAB COc1ccc(-c2cc([C@H]3CN4CC[C@H]3C[C@@H]4CNC(=O)C3CCCCC3)n(C)n2)cc1 8635374 GZJKCNXGVVESBH-XJUOHMSHSA-N 436.600 3.970 0 40 IHAB biogenic,in-vitro Cc1cccc(OCc2nnc(SCc3nc4sc(C(=O)O)c(C)c4c(=O)[nH]3)o2)c1 9127987 YETKGIKPPNQDFS-UHFFFAOYSA-N 444.494 3.554 0 40 IHAB COc1ccc(OC)c(N2C[C@H](C(=O)Nc3ccc(Br)cc3F)CC2=O)c1 9197147 SZCBCGMZPPFSPV-LLVKDONJSA-N 437.265 3.597 0 40 IHAB C[C@@H](C(=O)O[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)N1C(=O)c2ccccc2C1=O 9390581 SAYGRMXQNDDUNX-YCRPNKLZSA-N 446.434 3.733 0 40 IHAB O=C(CCNC(=O)N1CC(=O)Nc2ccccc21)Nc1ccc(OCc2ccccc2)cc1 9410648 BLYBZPSAMHZNQZ-UHFFFAOYSA-N 444.491 3.763 0 40 IHAB Fc1cccc(-n2c(SCc3nc(-c4ccccc4)no3)nnc2N2CCOCC2)c1 9412535 HVODYPZXUSQAID-UHFFFAOYSA-N 438.488 3.585 0 40 IHAB CC(=O)Nc1ccc(NC(=O)CSc2ccc3nnc(-c4ccc(F)cc4)n3n2)cc1 9414977 NAXRWXWEHBIROI-UHFFFAOYSA-N 436.472 3.620 0 40 IHAB O=C1NC2(CCCC2)C(=O)N1CCCC(=O)N1CCCC[C@@H]1c1nc2ccccc2s1 9449351 GMSRFIYDPNNRGV-QGZVFWFLSA-N 440.569 3.995 0 40 IHAB C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)c2cccc(N3CCCC3=O)c2)C1=O 9602537 DCGGRBITMZNJAY-AREMUKBSSA-N 441.487 3.617 0 40 IHAB C[C@H]1C[C@@H](C)CN([C@@H](C)C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)C1 9630942 DKTDSSVMVIQESN-BBWFWOEESA-N 442.025 3.820 0 40 IHAB Cc1ccc2c(C)c(CCC(=O)Nc3cccc(-c4nnnn4C4CC4)c3)c(=O)oc2c1 9711500 LAPTTZXNJTYSTQ-UHFFFAOYSA-N 429.480 3.970 0 40 IHAB CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2C(C)C)cc1 9934033 NYBJNUTVCTZWTA-HXUWFJFHSA-N 437.496 3.746 0 40 IHAB O=C(CSc1nnc(N2CCCC2)n1C1CC1)Nc1ccc(OC(F)(F)F)cc1 11375092 PGVJFEYZUJMBRN-UHFFFAOYSA-N 427.452 3.843 0 40 IHAB COCCN(Cc1cc2cc3c(cc2nc1Cl)OCO3)C(=O)c1ccc(OC)cc1 12494031 GBPBYGJOQCVOMV-UHFFFAOYSA-N 428.872 3.914 0 40 IHAB C[C@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc2c(c1)OCCO2 12552041 RKPXEYXNZYNUQF-INIZCTEOSA-N 438.505 3.750 0 40 IHAB Cc1cc(Cl)cc(C)c1OCC(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 12754162 ANEFISUTGUYSKC-UHFFFAOYSA-N 444.915 3.942 0 40 IHAB O=C(/C=C/c1ccc(OC(F)(F)F)cc1)NC[C@H](c1cccs1)N1CCOCC1 12860899 NTUUSFBPISBMIL-ZGRWHYIRSA-N 426.460 3.850 0 40 IHAB CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)CCS(=O)(=O)c1ccc(C)cc1 12906597 ITAXAFLDJLOENB-UHFFFAOYSA-N 436.961 3.608 0 40 IHAB CCCc1nc(N2CCC(C(=O)OCC)CC2)c2nnn(Cc3ccccc3Cl)c2n1 13086628 QUTFMCOVLJDNBF-UHFFFAOYSA-N 442.951 3.655 0 40 IHAB COc1cccc(NC(=O)CN(C)C(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c1 13117242 GVKVFCOSFMDGHN-UHFFFAOYSA-N 441.491 3.654 0 40 IHAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1C 13568813 ZSFKTMUONHTGQC-HNNXBMFYSA-N 431.539 3.967 0 40 IHAB CCn1nnc2cc(C(=O)Nc3ccccc3C(=O)Nc3ccc4c(c3)OCO4)ccc21 14792262 OACHGAFNOHDYLC-UHFFFAOYSA-N 429.436 3.685 0 40 IHAB COc1ccccc1N1CCN(C(=O)CSc2nc(C)cc(-c3ccccc3)n2)CC1 15019444 DADHMLWTUPFJQF-UHFFFAOYSA-N 434.565 3.902 0 40 IHAB C[C@H](OC(=O)CNC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CCCc2ccccc21 15223450 OYOFDPDPDUNBEF-ORAYPTAESA-N 449.334 3.849 0 40 IHAB CN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 15620334 JKODGSZSCFHJTI-UHFFFAOYSA-N 444.534 3.592 0 40 IHAB COc1ccccc1N(CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1C2)S(=O)(=O)c1ccc(C)cc1 16309728 UTNNJKYCHLPCHX-NLWGTHIKSA-N 428.554 3.504 0 40 IHAB COc1ccc(C(=O)CSc2nnc(NC[C@H]3CCCO3)s2)cc1Br 16331639 WRUKTPZDBHEMJC-LLVKDONJSA-N 444.376 3.875 0 40 IHAB CC(C)n1c(SCc2nc(N)nc(Nc3ccc(F)cc3)n2)nc2ccccc2c1=O 16654833 QTKMBUDJWPZERY-UHFFFAOYSA-N 437.504 3.920 0 40 IHAB Cc1ccc(NC(=O)COc2cccc3ccc(N4CCC(C(N)=O)CC4)nc23)c(C)c1 17025808 KXIRDMWHNOJJGR-UHFFFAOYSA-N 432.524 3.571 0 40 IHAB COc1ccccc1[C@H]1[C@H]2C(=O)N(c3c(Cl)cccc3Cl)C(=O)[C@H]2N2CCCN12 19172452 ZAUDIALSROPSAO-AOIWGVFYSA-N 432.307 3.538 0 40 IHAB O=C(OCc1nc(-c2ccc(F)cc2)no1)c1ccccc1S[C@H]1CCS(=O)(=O)C1 19471773 FYJZGYGPQSAGED-HNNXBMFYSA-N 448.497 3.512 0 40 IHAB COc1ccc(CC(=O)N2CC[C@@](Cc3cccc(-c4cccs4)c3)(C(N)=O)C2)cc1 19554023 ITZUAWMJZYUPRM-VWLOTQADSA-N 434.561 3.913 0 40 IHAB Cc1cnc(C(=O)N2CCC[C@@](O)(c3nc(C)c(COc4ccccc4)s3)CC2)cn1 19705216 ANBIBMWLYLOUGW-QHCPKHFHSA-N 438.553 3.643 0 40 IHAB Cc1nc([C@@H]2CCCCN2C(=O)c2scnc2C)ncc1C(=O)NCc1ccccc1 19764349 PRBSDRRGDPAUEX-IBGZPJMESA-N 435.553 3.847 0 40 IHAB COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccccc2Br)cc1 21089817 NDRJFLKSLKJMGB-GOSISDBHSA-N 440.301 3.977 0 40 IHAB Cc1cc(-n2c(C)cc(C(=O)Nc3cccc(S(=O)(=O)N4CCCCC4)c3)c2C)no1 21995480 XXNIVBKFZVAVKM-UHFFFAOYSA-N 442.541 3.817 0 40 IHAB Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2cc(-c3ccco3)nc3onc(C)c23)cc1 22312271 HAIUHADKQAUSEF-OAQYLSRUSA-N 446.507 3.903 0 40 IHAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 22328956 LIFRRFHCGBEXPV-IBGZPJMESA-N 430.570 3.796 0 40 IHAB CC(=O)c1sc(NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)nc1-c1ccccc1 23269220 GKIGEARKWQXCAZ-UHFFFAOYSA-N 440.525 3.548 0 40 IHAB O=S(=O)(c1ccc(N2CCC[C@H](c3nc4ccccc4s3)C2)nc1)N1CCCC1 23936617 WFTFPEBBQNMQIP-INIZCTEOSA-N 428.583 3.860 0 40 IHAB O=C(c1c[nH]c(=S)n1-c1ccc(F)cc1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 24137198 WVXASMGZDBAZTG-UHFFFAOYSA-N 438.528 3.567 0 40 IHAB COc1ccc([C@@H](CNC(=O)COc2ccccc2-c2ccccc2)N2CCOCC2)cc1 25777423 OAHZHDRFSQMGHK-RUZDIDTESA-N 446.547 3.931 0 40 IHAB Cc1cccc2c(=O)n(CCC(=O)NC[C@@H](c3cccs3)N3CCC(C)CC3)cnc12 27575324 SMRNGJJOTBVSLE-FQEVSTJZSA-N 438.597 3.746 0 40 IHAB COc1ccccc1N1CCN(C(=O)c2ccc(COc3ccc4c(c3)OCO4)o2)CC1 28304343 RTYODFBXVDCTFD-UHFFFAOYSA-N 436.464 3.558 0 40 IHAB COc1ccc(OC)c(N2C[C@@H](C(=O)O[C@@H](C)C(=O)c3ccc(Cl)cc3)CC2=O)c1 31065994 HTFGDQIUKIXUTM-ZFWWWQNUSA-N 431.872 3.525 0 40 IHAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)C1CCN(C(=O)Nc2ccccc2)CC1 31348064 XTRMBDPGZWHKGK-UHFFFAOYSA-N 444.482 3.696 0 40 IHAB CC(C)(C)OC(=O)Nc1ccc(CC(=O)NCC2(N3CCOCC3)CCCCC2)cc1 32196088 CTNAQRBDYUIXAW-UHFFFAOYSA-N 431.577 3.727 0 40 IHAB O=C(C[C@@]12CSc3[nH]c(=O)sc3[C@H]1c1ccccc1OC2=O)Nc1ccc(F)cc1 32594561 TWGACGTXPPZFJR-IIBYNOLFSA-N 442.493 3.747 0 40 IHAB CCOC(=O)C1=C(C)N(Cc2cccs2)C(=O)N[C@@H]1c1cc(OC)c(OC)c(OC)c1 32781055 RUCHHMLHXMDGHI-LJQANCHMSA-N 446.525 3.878 0 40 IHAB O=C(NCc1ccc(N2CCCC2=O)cc1)[C@H]1CCCC[C@H]1C(=O)N1CCc2ccccc21 32781146 NMWXMXUOWWLVQB-XZOQPEGZSA-N 445.563 3.825 0 40 IHAB O=C(N[C@@H](C(=O)NC1CCN(C(=O)c2ccccc2)CC1)c1ccccc1)c1cccs1 32909968 WDHYVLQMHXQGPM-JOCHJYFZSA-N 447.560 3.640 0 40 IHAB CC(C)CCNC(=O)c1ccc([C@H]2Nc3cc(C(F)(F)F)ccc3S(=O)(=O)N2)cc1 33063378 XBKIKVLKROSWEC-SFHVURJKSA-N 441.475 3.884 0 40 IHAB CC[C@@H](C)[C@@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)NCc1cccnc1 36594052 HXWKSCDWFYEPNF-IIBYNOLFSA-N 447.564 3.943 0 40 IHAB CS(=O)(=O)N1CC[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)Oc2ccc(Cl)cc21 38853519 FAYMKMIJPWIRDG-INIZCTEOSA-N 433.288 3.688 0 40 IHAB COc1cc2ncn(CCCC(=O)N3CCC[C@@H]3c3ccsc3)c(=O)c2cc1OC 40107747 DZHHHHNXMZWHOS-GOSISDBHSA-N 427.526 3.619 0 40 IHAB COC(=O)c1ccc(C)c(NC(=O)N2CCc3[nH]cnc3[C@H]2c2cccc(F)c2F)c1 40284837 AHKFQSQVYSIKIF-HXUWFJFHSA-N 426.423 3.963 0 40 IHAB Cc1csc2nc(COc3ccccc3NC(=O)COc3ccccc3F)cc(=O)n12 41077388 PNXUSLPGBMJZKH-UHFFFAOYSA-N 439.468 3.800 0 40 IHAB CCOc1ccc([C@@H]2NC(=O)NC(CN3CC=C(c4ccccc4)CC3)=C2C(=O)OC)cc1 57415352 PQIPTWRBXSSOBF-DEOSSOPVSA-N 447.535 3.656 0 40 IHAB COc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2CC(C)C)cc1OC 57426253 LRUQCNLMNUEMAW-UHFFFAOYSA-N 433.555 3.862 0 40 IHAB COc1ccc(NC(=O)Cn2c(=O)n(-c3ccccc3)c(=O)c3sccc32)cc1Cl 57428775 VYMBCLSHEIEHHR-UHFFFAOYSA-N 441.896 3.515 0 40 IHAB CC(C)N1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)OCc1c(F)cccc1Cl 57947755 FXZUJRUWVARMNW-QFIPXVFZSA-N 430.863 3.910 0 40 IHAB CCc1cc2c(=O)n(Cc3nc(-c4ccc(OC(F)F)c(OC)c4)no3)cnc2s1 57954209 KLBWJVMYSPHWKB-UHFFFAOYSA-N 434.424 3.729 0 40 IHAB Cc1ccc(-n2c(SC[C@H](O)COc3ccc(F)cc3)nnc2N2CCCC2)cc1 57996522 FJSCPNHBMCDUHW-LJQANCHMSA-N 428.533 3.847 0 40 IHAB Cc1nn(C)c(C)c1NC(=O)[C@@H](C)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 58173773 IAIXLBKGBXHOOB-HXUWFJFHSA-N 446.599 3.798 0 40 IHAB COc1cc(NC(=O)Nc2c(C)nn(C(C)C)c2C)c(C(=O)N2CCCC2)cc1OC 58341919 REYFDWPSVTXVTF-UHFFFAOYSA-N 429.521 3.978 0 40 IHAB COc1cc([C@@H]2CC(=O)Nc3c(C(=O)O)cn(-c4ccccc4F)c32)cc(OC)c1OC 61719640 GMGCAJJRMLCDJW-ZDUSSCGKSA-N 440.427 3.815 0 40 IHAB COc1ccc(-c2noc(-c3ccccc3OCC(=O)Nc3ccc(C(N)=O)cc3)n2)cc1 64579702 VLGJCAOCMZJQQR-UHFFFAOYSA-N 444.447 3.529 0 40 IHAB CCc1cccc(C)c1NC(=O)Cn1c(-c2ccc(Cl)cc2)nc(C)c(CCO)c1=O 67300578 XNRKLQICDZSVBK-UHFFFAOYSA-N 439.943 3.916 0 40 IHAB COc1ccc(Br)cc1CN(C)C(=O)CCC(=O)c1ccc2c(c1)OCCO2 69453381 ONPDSCFWABKNLV-UHFFFAOYSA-N 448.313 3.850 0 40 IHAB CN(C(=O)c1ccc(NC(=O)NCCNc2ncccn2)cc1Cl)C1CCCCC1 70038798 UXRFHVXMTMRZDZ-UHFFFAOYSA-N 430.940 3.768 0 40 IHAB COc1cccc(NC(=O)COc2ccc(C(=O)NCc3nnc(C(C)C)s3)cc2)c1 72313763 DKJNZZWZDFFHCC-UHFFFAOYSA-N 440.525 3.618 0 40 IHAB CCNC(=O)[C@]1(Cc2cccc(-c3ccc(C)cc3)c2)CCN(C(=O)c2c[nH]nc2C)C1 72390563 YLPXMGQARDFRDO-SANMLTNESA-N 430.552 3.905 0 40 IHAB O=C(CCCOc1ccccc1F)N1CCC[C@H](c2cc(C(F)F)n3ncnc3n2)C1 72395377 DIZANJPSQVOMJG-AWEZNQCLSA-N 433.434 3.766 0 40 IHAB OC[C@H](O)CSc1nnc(CSc2nc3ccccc3s2)n1Cc1ccccc1 78739186 UHZPZPSAZGRFAC-HNNXBMFYSA-N 444.607 3.674 0 40 IHAB COc1ccc2cnn(CC(=O)Nc3cccc4c3ccn4CC(C)C)c(=O)c2c1OC 79486152 QEMSYHBJVNJJQQ-UHFFFAOYSA-N 434.496 3.663 0 40 IHAB CC(C)S(=O)(=O)c1ccc(C(=O)N2CC(Oc3nc4c(F)cccc4s3)C2)cc1 90593977 HIGYASLDVBLCEL-UHFFFAOYSA-N 434.514 3.521 0 40 IHAB CNS(=O)(=O)c1ccc(/C=C/C(=O)Nc2c(O)c(Cl)cc(Cl)c2Cl)cc1 95458542 MRKTVQYNWSNSBN-QPJJXVBHSA-N 435.716 3.912 0 40 IHAB O=S(=O)(N[C@H](c1cccc(C(F)(F)F)c1)c1nc[nH]n1)C1=Cc2ccccc2CC1 97162124 YZTTVRAKDVQEDA-GOSISDBHSA-N 434.443 3.820 0 40 IHAB COc1cccc(C(=O)COc2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H]([C@H]6C[C@H]56)[C@H]4C3=O)c2)c1 100854343 OZCJJVZTRAHVEG-DRRJAYDASA-N 429.472 3.514 0 40 IHAB Nc1n[nH]c2nc(-c3ccc(NS(=O)(=O)c4cccc(Cl)c4Cl)cc3)cnc12 103256100 MBNNXCKHRKSGSU-UHFFFAOYSA-N 435.296 3.710 0 40 IHAB in-vitro COc1ccc(Cl)cc1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(C)c(C)c2)CC1=O 138847599 YONAQSUIWROTNX-HNNXBMFYSA-N 430.888 3.500 0 40 IHAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 216457334 DVXJAVKMTHDTAA-FQEVSTJZSA-N 429.473 3.818 0 40 IHAB CN(CCCNC(=O)CN1c2ccccc2-c2ccccc2S1(=O)=O)c1ccccc1 219158680 FHMKWWAPYCPZDT-UHFFFAOYSA-N 435.549 3.505 0 40 IHAB COc1ccc(C)cc1N([C@@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)S(C)(=O)=O 222985323 BSIGLBBFHOOURX-ROUUACIJSA-N 444.597 3.914 0 40 IHAB CC[C@H](NC(=O)[C@@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 223041012 KTWXJZUPVYTJQZ-HXOBKFHXSA-N 444.597 3.996 0 40 IHAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN(C)C)c(C)n1-c1cccnc1 223216204 UNLPSWTWODMRET-DHIUTWEWSA-N 434.613 3.808 0 40 IHAB CSc1ncc(C(=O)NC2CCCCCC2)c(N(C)S(=O)(=O)c2ccc(C)cc2)n1 223401093 KSCJFDZRCRXYDS-UHFFFAOYSA-N 448.614 3.785 0 40 IHAB CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)COc1cc(C)c(Cl)c(C)c1 223405077 OGXTXNSDJVYCNZ-HXUWFJFHSA-N 432.948 3.898 0 40 IHAB CN(CCCC(=O)NCCOc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccccc1 223649174 HBOSTCDSOHYTMW-UHFFFAOYSA-N 432.586 3.580 0 40 IHAB COc1ccc(S(=O)(=O)NCc2ccc(C(C)(C)C)cc2)cc1C(=O)N1CCCC1 223870421 GQPSMZBYJBSJKI-UHFFFAOYSA-N 430.570 3.707 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)[C@@H]1COc2ccccc2O1 224542017 HTSAIJYEPLJPSP-FQEVSTJZSA-N 444.896 3.919 0 40 IHAB Cc1cccc(OCCNC(=O)CCCN(c2ccc(Cl)cc2C)S(C)(=O)=O)c1 224767747 PQWUCXXOWQMPAV-UHFFFAOYSA-N 438.977 3.698 0 40 IHAB CCOC(=O)C1CCN(C(=O)CCc2ncc(-c3ccc(Br)cc3)o2)CC1 224879521 LCJVEIPUUYDODU-UHFFFAOYSA-N 435.318 3.838 0 40 IHAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)COc1ccc(OC)cc1 225523450 KQOFPMDTGJMFQS-RUZDIDTESA-N 446.547 3.769 0 40 IHAB COc1cc(N2CCN(c3ccccc3)CC2)nc(NC(=S)NC2CCCCCC2)n1 226009668 XNHQAROHLUPNFS-UHFFFAOYSA-N 440.617 3.821 0 40 IHAB COc1cccc(C(=O)N2CCC(Cc3ccc(-c4ccncc4)cc3)(C(N)=O)CC2)c1 257276843 NVJCPKLUGGRUIQ-UHFFFAOYSA-N 429.520 3.708 0 40 IHAB O=C(CC1CCCCC1)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCC(O)CC2)CC1 257284174 PBMUZXIUICIRAU-KLJDGLGGSA-N 442.644 3.771 0 40 IHAB COc1cc(CN2CCCc3cc(C(=O)N4CCOCC4)n(C(C)C)c3C2)cc(OC)c1 306131203 JYOLKRDWAIMJGB-UHFFFAOYSA-N 441.572 3.507 0 40 IHAB CC(C)NC(=O)C(=O)Nn1c(C(=O)Nc2ccccc2Cl)cc2cc(Cl)ccc21 408604384 IKAUZOJAHPTVOF-UHFFFAOYSA-N 433.295 3.795 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(O[C@H](C)C(=O)NC3CCCCC3)cc2)cc1 408609249 MPCODEWBKMTVME-MRXNPFEDSA-N 432.542 3.712 0 40 IHAB Cc1cccc(C)c1NC(=O)COC(=O)c1cccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 408659639 MKYGLEDWKQFQEG-WOJBJXKFSA-N 434.492 3.779 0 40 IHAB CC(=O)c1cccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(Br)cc2)c1 408665753 WXLMKGWZGYJFKJ-UHFFFAOYSA-N 447.285 3.552 0 40 IHAB CCCNC(=O)CN1C(=O)S/C(=C\c2ccccc2OCc2ccccc2F)C1=O 409209286 FETUHUIZYBIXJT-UNOMPAQXSA-N 428.485 3.967 0 40 IHAB CCC[C@H](C)NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 409324171 RKUQGDHUDKLDSA-KRWDZBQOSA-N 434.558 3.512 0 40 IHAB C[C@@H]1CCc2[nH]c3ccc(C(=O)N4C[C@@H](C[C@H]5COCC(=O)N5)c5ccccc54)cc3c2C1 564024234 PIAZTHRYDYKGFA-QRQLOZEOSA-N 443.547 3.942 0 40 IHAB Cc1ccc(CC(=O)N2C[C@@H](c3cn(C(C)C)cn3)[C@]3(CCCN(CC4CC4)C3=O)C2)cc1 585107389 UMJXBFUDDSSCHP-HOFKKMOUSA-N 448.611 3.960 0 40 IHAB CC(=O)N1CCCN(Cc2cccnc2)CCCN(C(=O)CC2CC2)Cc2ccccc21 643579935 NCPMBNKTECEFQS-UHFFFAOYSA-N 434.584 3.859 0 40 IHAB C[C@]1(c2cccc(C(=O)Nc3ccc(Cl)cc3[C@@H](O)c3ccccc3)c2)NC(=O)NC1=O 1627842304 KQBTUYBSTKKUGR-GBXCKJPGSA-N 449.894 3.729 0 40 IHAB CC(C)(C)OC(=O)N[C@H](CC(=O)O)Cc1ccccc1-c1ccc(S(C)(=O)=O)cc1 1772714786 VKWKNLQDUOPGPF-KRWDZBQOSA-N 433.526 3.668 0 40 IHAB CO[C@@H]1CCCN2C(=O)c3ccccc3OCCN(Cc3cscn3)CCCC[C@H]12 2037978203 IEWZLFPAEWXPGB-IFMALSPDSA-N 429.586 3.828 0 40 IHAB COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCc2ccccc2)cc1Br 1513469 FGIJWMPUUUCFDO-GOSISDBHSA-N 431.286 3.829 0 40 IHAB CCSc1nnc(C(F)F)n1NC(=O)[C@@H](C)n1nc(C(F)(F)F)c(Cl)c1C 2791029 FNUDRUFPOLJYHD-ZCFIWIBFSA-N 432.806 3.836 0 40 IHAB COc1cc(/C=C/C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)ccc1O 3259898 IGRLMXUICHURJC-HWKANZROSA-N 430.766 3.663 0 40 IHAB O=C(COC(=O)CCc1c[nH]c2ccccc12)Nc1ccc(I)cc1 3301093 LRIYCSYXPXOMIS-UHFFFAOYSA-N 448.260 3.887 0 40 IHAB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1 3307368 PUMCPUBHTBWCHV-UHFFFAOYSA-N 438.505 3.975 0 40 IHAB COc1cc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN(C)C)ccc1O 3655667 JTJLYBYDNKCQDR-JOCHJYFZSA-N 436.508 3.621 0 40 IHAB COc1cc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN(C)C)ccc1O 3655668 JTJLYBYDNKCQDR-QFIPXVFZSA-N 436.508 3.621 0 40 IHAB COc1ccc(CCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1OC 8943264 NKJYUHPYRZKEQU-UHFFFAOYSA-N 446.569 3.758 0 40 IHAB C[C@@H](NC(=O)CSc1nnc(C2CC2)n1-c1ccccc1)c1ccc2c(c1)OCCO2 8965801 XQTUEIUCHCMEFQ-OAHLLOKOSA-N 436.537 3.885 0 40 IHAB CCOc1ccc(CCNC(=O)CSCC(=O)Nc2cccc(C)c2)cc1OCC 9004870 LMAWUYPMRDDXEO-UHFFFAOYSA-N 430.570 3.823 0 40 IHAB COc1ccc(C2(CNC(=O)C(=O)N[C@@H](C)CCc3ccccc3)CCCC2)cc1OC 9033164 VHCDTJKKEKJWJX-IBGZPJMESA-N 438.568 3.769 0 40 IHAB biogenic COc1ccc([C@@H]2N(C(=O)c3ccccc3)CCCN2S(=O)(=O)c2ccccc2)cc1 9095056 NZLQYGQDJBKGAW-HSZRJFAPSA-N 436.533 3.931 0 40 IHAB CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2c(F)c(F)c(F)c(F)c2F)CC1 10010394 ZEKPKTYDIYZOTP-UHFFFAOYSA-N 447.791 3.956 0 40 IHAB COc1ccc(N([C@@H](C)C(=O)Nc2ccccc2SC)S(C)(=O)=O)cc1Cl 10334852 SAXTVYVWSSHXOX-LBPRGKRZSA-N 428.963 3.864 0 40 IHAB Cc1ccc(C)c(N([C@@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)S(C)(=O)=O)c1 10544311 YCJNNUJORBEKAJ-FQEVSTJZSA-N 428.598 3.939 0 40 IHAB COc1cc(CN(C)C(=O)c2ccc3c(c2)C(=O)N(C)C3=O)ccc1OCc1ccccc1 11238735 ZKDKNEIGJLEHES-UHFFFAOYSA-N 444.487 3.772 0 40 IHAB COc1cc(NC(=O)[C@@H](NC(=O)c2ccccc2)c2ccccc2)ccc1N1CCCC1=O 11447278 LNVZOEMPYNHIGF-DEOSSOPVSA-N 443.503 3.932 0 40 IHAB COc1ccc(-n2nnc3c(SCC(=O)Nc4c(C)cc(C)cc4C)ncnc32)cc1 11758655 BSZCRFPYQXRGAT-UHFFFAOYSA-N 434.525 3.875 0 40 IHAB COc1ccc2c(c1)N[C@@]1(COC3(CCN(C(=O)c4ccc(C)nc4)CC3)C1)c1cccn1-2 12086238 HXIHAFZCOULXPV-SANMLTNESA-N 444.535 3.905 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)N2CCN(Cc3nc(-c4cccc(Cl)c4)no3)CC2)c1 12772312 BVODGVXGMCUMRZ-UHFFFAOYSA-N 446.960 3.513 0 40 IHAB CCOC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc3ccccc3n2)CC1 12788077 HIMZYQRLFJHXBE-JOCHJYFZSA-N 437.927 3.950 0 40 IHAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3nc(CN4C[C@H](C)O[C@@H](C)C4)cs3)c12 12791528 ODGUVAXRZGGQPC-KBPBESRZSA-N 442.589 3.718 0 40 IHAB Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)NN3CCOCC3)cc12 12797850 QVPMSEUTWIFFDB-UHFFFAOYSA-N 425.341 3.738 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CN2CC=C(c3ccccc3)CC2)c1 13038087 DFAIWFJNHDJRQS-UHFFFAOYSA-N 441.597 3.753 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC2(C(=O)O)CCCCC2)c1 13253423 MVGDPVMNAFAVNQ-UHFFFAOYSA-N 430.954 3.734 0 40 IHAB CCC(C)(C)n1nnnc1[C@H](c1ccccc1OC)N1CCN(c2ccccc2F)CC1 13504153 YSNABZCZBYEYRU-QFIPXVFZSA-N 438.551 3.878 0 40 IHAB Cc1ccc(C)c(N2CCN([C@@H](c3ccccc3F)c3nnnn3Cc3ccco3)CC2)c1 13505105 AGVXOHRYNKPRRN-DEOSSOPVSA-N 446.530 3.982 0 40 IHAB COc1ccc(NC(=O)COc2ccc3nc4n(c(=O)c3c2)CCCCC4)cc1Cl 13734498 CIUHENHNRIGAGG-UHFFFAOYSA-N 427.888 3.802 0 40 IHAB COc1c(C(=O)NCCNC(=O)c2cccs2)cc2ccccc2c1Br 13858120 HKYOKGLTCBOYRU-UHFFFAOYSA-N 433.327 3.832 0 40 IHAB CCn1c(CC(=O)Nc2ccc(C)cc2)nnc1SCC(=O)N[C@H]1CCCC[C@@H]1C 13955766 OCTLHFYRVAEWDG-WMZOPIPTSA-N 429.590 3.575 0 40 IHAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)cc1 14251048 LEHXIOVKTPGYCL-INIZCTEOSA-N 437.521 3.618 0 40 IHAB Cc1cc(C)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c(Cl)c1 14669457 GTQHGEZKZFIVCT-UHFFFAOYSA-N 443.352 3.883 0 40 IHAB COc1cc(OC)c(OC)cc1CNC(=O)Cn1c(SC(F)F)nc2ccccc21 15139784 AQDWHEBAVITKRZ-UHFFFAOYSA-N 437.468 3.693 0 40 IHAB COc1cccc(CNC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2)c1 15391025 OTBGWWCXTQSNMF-SFHVURJKSA-N 436.961 3.598 0 40 IHAB O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)Nc1ccccc1N1CCCC1=O 15614737 BDFCEWCYARRBPW-UHFFFAOYSA-N 441.487 3.982 0 40 IHAB Cc1ccccc1-c1nc2scc(CCNC(=O)C(=O)Nc3c(C)cccc3C)n2n1 17136101 HXVNBXZHIDEUBG-UHFFFAOYSA-N 433.537 3.680 0 40 IHAB COC1CCC(C(=O)N2CCC[C@@H]([C@@H]3C[C@H](C(F)(F)F)n4nc(C)cc4N3)C2)CC1 19127537 HFZYKIYDBXQRDX-RYAZAAMFSA-N 428.499 3.923 0 40 IHAB Cc1ccnn1[C@H](C)C(=O)NC1CCN(c2ncc(-c3ccncc3)c(C(C)C)n2)CC1 19238324 XYOLFPOYZWXNNE-GOSISDBHSA-N 433.560 3.513 0 40 IHAB C[C@@H]1CCc2c(c3ccccc3n2C(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 19371423 ZHECCKBMTPKDEB-LJQANCHMSA-N 445.563 3.953 0 40 IHAB COc1ccc(C2(C(=O)N3CCC[C@H](Cn4nc(-c5cccs5)ccc4=O)C3)CC2)cc1 19553625 KHQDFNCEPPELNQ-SFHVURJKSA-N 449.576 3.951 0 40 IHAB COc1ccc(CN2CCC[C@H](c3cc(N)n4nc(-c5ccco5)cc4n3)C2)cc1OC 19560989 GZIADHMHVIUDLQ-KRWDZBQOSA-N 433.512 3.968 0 40 IHAB CNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(C(=O)Cc2ccccc2)CC1 19700113 VRFHHZCCTINSNF-UHFFFAOYSA-N 427.548 3.889 0 40 IHAB Cc1ccc([C@@H]2CCCN2C(=O)c2ccc(C3CCN(S(C)(=O)=O)CC3)nc2)cc1C 19708099 JXYZAZNWBMUVTJ-QHCPKHFHSA-N 441.597 3.815 0 40 IHAB Cc1nc([C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)ncc1C(=O)Nc1ccccc1 19765246 XRMDKLDPOVHLDI-GOSISDBHSA-N 436.537 3.606 0 40 IHAB C[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)c1cccc(Br)c1 20011949 WFZUYXJATGELHJ-GFCCVEGCSA-N 445.766 3.600 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(F)c(F)c3F)C2)cc1 20017322 XHRQMFCNFGINFW-CYBMUJFWSA-N 442.459 3.542 0 40 IHAB CC[C@@H](C(=O)N(C)Cc1ccc(OC)c(OC)c1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 20460441 BZKACXFAPDZDPV-FQEVSTJZSA-N 448.585 3.524 0 40 IHAB O=C(O)C1CCN(c2nc(NCc3ccc4c(c3)OCO4)c3cc(Cl)ccc3n2)CC1 21290045 QUUJQFQTLSFCKW-UHFFFAOYSA-N 440.887 3.925 0 40 IHAB investigational CCCCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OCC)c(Cl)c1 22269280 BOUVEACLIJBSHV-LJQANCHMSA-N 438.977 3.545 0 40 IHAB Cc1ccc(N(CC(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)S(C)(=O)=O)c(C)c1 22328480 CJDUIINIJYHFEJ-IBGZPJMESA-N 430.570 3.796 0 40 IHAB CN(C)[C@H](CNC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1)c1cccs1 22759680 BMQNGCWVSABPHS-HXUWFJFHSA-N 443.594 3.606 0 40 IHAB Fc1ccc([C@@H](c2nnnn2C2CCCCC2)N2CCN(Cc3ccncc3)CC2)cc1 22928515 BCANXGCLMDMSQH-QHCPKHFHSA-N 435.551 3.620 0 40 IHAB COC(=O)[C@@H](NC(=O)c1ccccc1C(=O)O)c1ccc(OCc2ccccc2)c(OC)c1 23477824 YEKVZAKVZRFNLY-QFIPXVFZSA-N 449.459 3.617 0 40 IHAB Cc1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)c(C)c1 23640267 BLWGJTAWULPQFJ-UHFFFAOYSA-N 442.471 3.895 0 40 IHAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1occc1CS(=O)(=O)c1ccccc1 24596764 VJHTZQIUSVQMPW-UHFFFAOYSA-N 440.521 3.581 0 40 IHAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 30852373 FEWIMBOIIFEKMA-KRWDZBQOSA-N 446.916 3.727 0 40 IHAB NC(=O)N[C@@H](CC(=O)NCCCSc1ccccc1)c1cccc(Br)c1 33000463 TUMXEJGAANPJQP-KRWDZBQOSA-N 436.375 3.847 0 40 IHAB Cc1[nH]c2ccccc2c1C(=O)CSc1nnc2c(=O)n(-c3ccc(F)cc3)ccn12 35447911 XFAGUIZRNZQHRE-UHFFFAOYSA-N 433.468 3.784 0 40 IHAB Cc1noc(-c2ccc(NC(=O)c3ccc4c(c3)C(=O)N(Cc3ccco3)C4=O)c(C)c2)n1 40152495 ZIUIITSCBBEJDN-UHFFFAOYSA-N 442.431 3.995 0 40 IHAB Cc1ccc(C)c(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccc(Cl)cc4)[nH]c(=O)c32)c1 40399317 TXFSVHIMQSHBHO-OAHLLOKOSA-N 437.887 3.848 0 40 IHAB CCc1nnc2ccc(S(=O)(=O)N(Cc3ccc(OC)cc3)c3cccc(F)c3)cn12 49408504 ULHFYQFSGUMRJE-UHFFFAOYSA-N 440.500 3.835 0 40 IHAB O=C(Nc1nc2c(s1)C(=O)CCC2)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 58317078 HQNHZYVQRWGFHN-UHFFFAOYSA-N 427.507 3.715 0 40 IHAB Cc1cccc(Nc2nc(C(=O)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)cs2)n1 62022572 BDSNLDUYCLSWOW-UHFFFAOYSA-N 448.474 3.966 0 40 IHAB Cc1cc(C)c(NC(=O)Cn2cnc3nc(N4CCC[C@@H](C)C4)sc3c2=O)c(C)c1 67226166 PQRQHNYVLULDOM-CYBMUJFWSA-N 425.558 3.653 0 40 IHAB COc1ccccc1[C@@]1(C)NC(=O)N(Cc2cccc(C(=O)Nc3ccccc3)c2)C1=O 89917096 RJURBURTPQJKOH-RUZDIDTESA-N 429.476 3.915 0 40 IHAB COc1ccc(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)cc1OC 89920264 HADDFNRCJZPOFR-HZPDHXFCSA-N 432.542 3.623 0 40 IHAB O=C(CCc1ccccc1Br)N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1 96104427 IJXOKSFMDMFBAI-UHFFFAOYSA-N 442.762 3.720 0 40 IHAB COc1ccc(Br)cc1S(=O)(=O)N1CCN(c2ccc(C)c(C)c2)CC1 96305765 ICURBTZZXAJHTG-UHFFFAOYSA-N 439.375 3.585 0 40 IHAB COC(=O)c1ccc(OC(=O)/C(=C\c2cccs2)n2nnnc2-c2ccccc2)cc1 96612495 VFCARKBZYPTJDH-XMHGGMMESA-N 432.461 3.792 0 40 IHAB CCc1c(O)n(-c2ccccc2C)c(SCC(=O)Nc2ccccc2OC)nc1=O 100585221 IULZKNJUUBQLMT-UHFFFAOYSA-N 425.510 3.548 0 40 IHAB C[C@@H](NC(=O)C(C)(C)S(=O)(=O)c1ccc(Br)cc1)[C@H]1C[C@H]2CC[C@H]1C2 106184243 KIDLEHSAYJAUHY-XJIUQZFPSA-N 428.392 3.942 0 40 IHAB CCOc1ccccc1NC(=O)[C@@H](C)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 113940484 VYXIPCJICWCBIT-CYBMUJFWSA-N 426.922 3.541 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)CCCN(C)S(=O)(=O)c2ccccc2)cc1 219719097 FOPPVAOYZBIPRP-UHFFFAOYSA-N 432.542 3.683 0 40 IHAB CSc1cccc(N(CC(=O)Nc2ccc(Br)cc2)S(C)(=O)=O)c1 220059972 IIECZFVQNRVPMP-UHFFFAOYSA-N 429.361 3.576 0 40 IHAB CS(=O)(=O)N(Cc1ccc(C(=O)NCCc2ccccc2)cc1)c1ccccc1F 222387215 RNSISQBTKJEXPP-UHFFFAOYSA-N 426.513 3.764 0 40 IHAB CCOc1ccccc1N(CCCC(=O)NCCCc1cccc(C)c1)S(C)(=O)=O 222614820 WCQMSGOZCFZYKF-UHFFFAOYSA-N 432.586 3.689 0 40 IHAB CCOc1ccccc1N(CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)S(C)(=O)=O 222918843 VKAQROSKQHWAKN-KRWDZBQOSA-N 430.570 3.608 0 40 IHAB C[C@@H]1Cc2cc(Br)ccc2N1C(=O)c1cnc2sc3c(n2c1=O)CCCC3 223040174 CFSHGZTYPBADRK-LLVKDONJSA-N 444.354 3.989 0 40 IHAB CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)COc1ccc(Br)c(C)c1 223045847 PKMWUQKJFHEIIP-FQEVSTJZSA-N 447.373 3.998 0 40 IHAB CCCOc1ccc(N(CC(=O)NCc2cc(CC)ccc2CC)S(C)(=O)=O)cc1 223067247 RWLXCBAFGZJHCS-UHFFFAOYSA-N 432.586 3.683 0 40 IHAB COc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN(C)C)cc1 223237766 LUSACEARKGVBFH-PKTZIBPZSA-N 435.597 3.805 0 40 IHAB CN(Cc1nc(-c2cccs2)no1)S(=O)(=O)Cc1cccc(Br)c1 223657035 PFYLTBCEWNEDLY-UHFFFAOYSA-N 428.333 3.522 0 40 IHAB CCN(c1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1)S(C)(=O)=O 223952290 SWFRIHVECYDPQG-UHFFFAOYSA-N 436.946 3.897 0 40 IHAB COC(=O)c1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)cc2)cc1 223981013 OFDHGWLXJKJDBK-UHFFFAOYSA-N 440.477 3.535 0 40 IHAB CCC1(CC)C[C@@H](NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)c2ccccc2O1 225671535 JTOGWWLIKIFOBD-MRXNPFEDSA-N 432.567 3.961 0 40 IHAB COCCOc1ccc(CN2CCC[C@@H](c3n[nH]cc3C(=O)N3CCCCCC3)C2)cc1 257241229 HXFKGXAJRHGRLT-OAQYLSRUSA-N 440.588 3.831 0 40 IHAB CCn1cc(-c2cc(C(=O)N3[C@H]4C[C@@]5(C)[C@@H]3CCC[C@H]5N[C@@H]4Cc3ccccc3)on2)cn1 257283277 OXQCKHRKUVPVGC-LCTKTHOQSA-N 445.567 3.914 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc4sncc4c3)C2)cc1C 260728484 BSEDGIOKVVTCFD-HNNXBMFYSA-N 445.566 3.653 0 40 IHAB Cc1cc(N(CC(=O)NC2CCCCCCC2)S(C)(=O)=O)ccc1Br 408607433 MFTKZUOSFIMCQS-UHFFFAOYSA-N 431.396 3.753 0 40 IHAB Cc1cc(OC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)ccc1N1C(=O)[C@H]2CCCC[C@H]2C1=O 408639394 FZESWTWOKVFQFU-DZFGPLHGSA-N 446.503 3.633 0 40 IHAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@H](C(=O)N(C)Cc2ccccc2)C1 408701539 ZLWAMVURYCKRKC-NRFANRHFSA-N 444.597 3.878 0 40 IHAB CN(Cc1ccccc1)C(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1 409062354 SKPWTYYZSLNIMW-UHFFFAOYSA-N 426.513 3.675 0 40 IHAB COc1cc(/C=C2/NC(=O)N(C)C2=O)c(Br)cc1OCc1ccc(C)cc1 409188898 BWBKNIOWCCXPHN-LZYBPNLTSA-N 431.286 3.868 0 40 IHAB CCOc1cc(/C=C2/SC(=O)N(CCCOC)C2=O)cc(Br)c1OC 409239015 YLWWMDPFZIKAQT-GXDHUFHOSA-N 430.320 3.929 0 40 IHAB Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)N1CCC[C@H](c2ccnc(N)n2)C1 560695783 NSGICTYSHUJKCC-AWEZNQCLSA-N 430.434 3.796 0 40 IHAB O=C(NC[C@@H]1CCC2(CCN(c3cc(C(F)(F)F)ncn3)CC2)CO1)C1CCCC1 2056225809 CEIWMIFEWXSULR-INIZCTEOSA-N 426.483 3.567 0 40 IHAB COC(=O)c1cccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)c1 907217 PYIQBELEHZDGRE-UHFFFAOYSA-N 445.504 3.847 0 40 IHAB COc1ccc(S(=O)(=O)NCCc2c(C)[nH]c3ccc(OC(F)(F)F)cc23)cc1 1073112 GVSUDVYZGNNWLI-UHFFFAOYSA-N 428.432 3.905 0 40 IHAB Cc1ccc(-c2nnc(N3CCN(C(=O)CN4CCCCC4)CC3)c3ccccc23)cc1 2211401 CUIFMIUROHUWMX-UHFFFAOYSA-N 429.568 3.740 0 40 IHAB COc1cc(C(=O)Nc2ccc(-c3nn4c(C)nnc4s3)cc2C)cc(OC)c1OC 2241457 SETMZEWCCYSJSB-UHFFFAOYSA-N 439.497 3.748 0 40 IHAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(Br)cc3C)n2N)c1 2382637 ZSMUMHLLMMLOBG-UHFFFAOYSA-N 432.347 3.769 0 40 IHAB O=C(/C=C/c1cnc2ccccc2n1)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O 2657682 WXUKSODXWPBECJ-FGKKRVJFSA-N 448.479 3.635 0 40 IHAB CCOC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)c1C 3287377 WLZLPAVLVBFIHE-UHFFFAOYSA-N 431.533 3.518 0 40 IHAB CSc1nc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)cc2s1 3306228 LDAZQWRDNZOCOJ-GFCCVEGCSA-N 441.534 3.781 0 40 IHAB COC(=O)c1sc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)c(C(=O)OC)c1C 3426901 NXMOSKCVNBNDNY-UHFFFAOYSA-N 438.310 3.737 0 40 IHAB COc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1OC 3440069 PSJGCWWERDJMQR-UHFFFAOYSA-N 446.569 3.840 0 40 IHAB CCOC(=O)C1(c2ccccc2)CCN(CC(=O)Nc2ccc(Cl)cc2OC)CC1 4016636 GOEBLKVNFZCHDM-UHFFFAOYSA-N 430.932 3.884 0 40 IHAB Cc1ccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3ccc(C)cc3C)n2C)cc1 8438198 HVEQGEVUEYDDQG-KRWDZBQOSA-N 437.569 3.962 0 40 IHAB O=C1N[C@@H](c2ccc(C(F)(F)F)cc2)[C@H](C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 8741777 OIZHACYCJSJBLX-JKIFEVAISA-N 432.320 3.809 0 40 IHAB COC(=O)c1ccc2c(=O)[nH]c(COC(=O)/C=C/c3ccc4cc(OC)ccc4c3)nc2c1 8825257 DVVXILPZJXPNMK-ONNFQVAWSA-N 444.443 3.628 0 40 IHAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(NCc2ccco2)s1 8862462 XUDVLGLEWWWHPG-LBPRGKRZSA-N 429.527 3.599 0 40 IHAB O=C([C@@H]1CN(C(=O)CSc2nc3ccccc3o2)c2ccccc2O1)N1CCCCC1 9048182 HCORFJYTFUWFBR-FQEVSTJZSA-N 437.521 3.727 0 40 IHAB CC(=O)Nc1ccc(-c2csc(NC(=O)CCCN3C(=O)c4ccccc4C3=O)n2)cc1 9125816 PCOVILIRFSVFOV-UHFFFAOYSA-N 448.504 3.783 0 40 IHAB COc1cccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCN(C)C)c1OC 9328268 AZBHQIPGGRZSII-NRFANRHFSA-N 436.508 3.534 0 40 IHAB O=C(CSc1nnnn1C1CC1)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 9478189 BKFOMIAFXFMXFW-UHFFFAOYSA-N 426.468 3.748 0 40 IHAB O=C(Nc1nnc(SCc2ccc(F)cc2)s1)[C@@H]1CC(=O)N(c2ccccc2)C1 9517888 RYDASZOWMBCSQQ-CQSZACIVSA-N 428.514 3.961 0 40 IHAB CN(C[C@@H]1COc2ccccc2O1)C(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1 9671048 RYTIMPUMCUAMMI-OAQYLSRUSA-N 432.476 3.507 0 40 IHAB COC(=O)c1ccsc1NC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 9722546 CWCAKTUKALVFGC-UHFFFAOYSA-N 430.507 3.612 0 40 IHAB Cc1cc(-n2c(C)cc(C(=O)CN3C(=O)N[C@](C)(c4cc5ccccc5o4)C3=O)c2C)no1 9781384 HFVBOAVFZKRITP-XMMPIXPASA-N 446.463 3.787 0 40 IHAB CC(=O)c1cccc(N(CC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c1 10111960 HUHVWXCMOFZNOK-MRXNPFEDSA-N 430.570 3.830 0 40 IHAB O=C(NC1CCN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1)c1ccccc1 10679595 ZTLDRHDQRZRDGM-UHFFFAOYSA-N 446.878 3.942 0 40 IHAB COC(=O)c1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccccc2C)cc1 11851521 UITDEGKNHFENLB-DNVJHFABSA-N 442.471 3.833 0 40 IHAB CCOc1cc(C)ccc1OCC(=O)N1CCC(c2nc3ccccc3cc2C(N)=O)CC1 12254811 MMQLGBWVMXKEGN-UHFFFAOYSA-N 447.535 3.826 0 40 IHAB Cc1cc(NC(=O)CSCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)no1 12527449 NXOXFYQMJXTMHJ-UHFFFAOYSA-N 442.463 3.912 0 40 IHAB COc1cc(C(C)=O)ccc1OC[C@H](O)Cn1nc(-c2ccccc2)c2ccccc2c1=O 12747514 WIZMOSRBFRXYSZ-HXUWFJFHSA-N 444.487 3.715 0 40 IHAB O=C1C[C@@H](C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)c2ccc(F)cc2N1 12826830 IUIDCNCYDYAZKN-QGZVFWFLSA-N 436.512 3.905 0 40 IHAB Cc1ccccc1CCN(C(=O)c1csnn1)[C@@H](C(=O)NC1CCCC1)c1ccccn1 12872679 LHNWMXQKXPVWQR-JOCHJYFZSA-N 449.580 3.727 0 40 IHAB COc1ccc(NC(C)=O)cc1NC(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 12978054 NYLUQCANRLCGQB-ZNWBTVJYSA-N 439.556 3.800 0 40 IHAB COc1ccc(Br)cc1-c1nc(COC(=O)CN2CCSC2=O)cs1 14167751 CBDBSSNWXXGHNY-UHFFFAOYSA-N 443.344 3.793 0 40 IHAB CN(CC(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1)S(=O)(=O)c1cccs1 14251715 FHOXOCXIWWFBHR-UHFFFAOYSA-N 441.987 3.708 0 40 IHAB O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1n[nH]c(=O)c2ccccc12 14502556 GPSKRCGBTSTMSE-UHFFFAOYSA-N 435.487 3.765 0 40 IHAB COc1ccc(S(=O)(=O)Nc2nc(CCC(=O)NCCC3=CCCCC3)cs2)cc1 16848563 FOXPUAJFPPLRGE-UHFFFAOYSA-N 449.598 3.892 0 40 IHAB O=C(c1ccc(=O)[nH]c1)N(Cc1ccco1)C1(C(=O)NC2CCCCC2)CCCCC1 18254296 CMJGDLMJNGIUHQ-UHFFFAOYSA-N 425.529 3.762 0 40 IHAB CC(=O)Nc1nc(C(=O)Nc2cc(C(F)(F)F)ccc2OC[C@H]2CCCO2)cs1 19022925 ISGFBBAHKAXCAD-GFCCVEGCSA-N 429.420 3.930 0 40 IHAB Cc1ccc([C@H](O)c2cccc(F)c2N2CCN(Cc3cnc(C(C)C)nc3)CC2)nc1 19215696 AWLKKFMWIKPNHW-XMMPIXPASA-N 435.547 3.846 0 40 IHAB Cc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@H](O)c3ccc(N4CCCC4=O)cc3)CC1)O2 19219253 MMWNFJZEJZJHQC-PKTZIBPZSA-N 436.552 3.506 0 40 IHAB O=C(CCCOc1ccccc1F)N1CCC[C@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 19350268 MCKDSGIJZKLTNP-BHYGNILZSA-N 437.466 3.505 0 40 IHAB COc1cccc(OC)c1CN1CCC[C@@H]([C@@H](NC(=O)c2ccccn2)c2ccccn2)C1 19567043 DIMAJWSELOWJCI-KBMIEXCESA-N 446.551 3.877 0 40 IHAB Cc1ncc(C(=O)N2CCC([C@H]3CCCCN(CCc4ccccc4)C3=O)CC2)c(C)n1 19744032 YAKIWEMOMUGZTM-HSZRJFAPSA-N 434.584 3.817 0 40 IHAB COc1cccc(CN2C(=O)Cc3c(C)nc([C@H]4CCCN(C(=O)CC(C)C)C4)nc32)c1 19744553 QQEHZWRUQGYFFK-IBGZPJMESA-N 436.556 3.635 0 40 IHAB Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)N[C@H]1CCCc2ccccc21 20021527 KOZXJVAAJMHLEL-NRFANRHFSA-N 430.570 3.502 0 40 IHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1 20450792 HCWUAQVFWRSLED-LJQANCHMSA-N 444.488 3.521 0 40 IHAB Cc1noc2nc(-c3ccccc3)cc(C(=O)N3C[C@@H](C(=O)N(C)C)Oc4ccccc43)c12 22319791 ROURZLDOKSUDEY-NRFANRHFSA-N 442.475 3.694 0 40 IHAB Cc1c(Cl)cccc1N(CC(=O)NCCCc1ccccc1Cl)S(C)(=O)=O 22337206 DFVZJBWFDAHANY-UHFFFAOYSA-N 429.369 3.817 0 40 IHAB CCCNS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)c(C)c1 22537313 PIYWYGHLJJBYQI-IBGZPJMESA-N 432.586 3.865 0 40 IHAB Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1 23881559 BWDWKWZLGONWEO-JOCHJYFZSA-N 433.508 3.644 0 40 IHAB COC(=O)c1sccc1S(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 28793861 NRLJYBDHVQZREB-UHFFFAOYSA-N 434.470 3.727 0 40 IHAB CCCOc1ccc2ccccc2c1CN(C)C(=O)c1cnn(-c2ccc(O)nn2)c1C 29980666 HAZFUWWUSSDSGP-UHFFFAOYSA-N 431.496 3.891 0 40 IHAB COc1ccc(OC[C@H](O)COc2ccccc2C(=O)c2cnn(-c3ccccc3)c2)cc1 30596900 AIBACOAINAUHNG-NRFANRHFSA-N 444.487 3.931 0 40 IHAB CCOc1ccc(CN2CCN(c3ccccc3S(=O)(=O)C(F)(F)F)CC2)cc1 32829204 WVKXOVURHZXLHW-UHFFFAOYSA-N 428.476 3.701 0 40 IHAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c(Cl)cc1OC 35396443 PSNNPBHTWUOKIC-YVLHZVERSA-N 438.933 3.796 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(-c4ccc5c(c4)OCO5)o3)C2)cc1C 35596943 DHLZGIGGWSPPHO-KRWDZBQOSA-N 441.509 3.650 0 40 IHAB CCOC(=O)[C@H]1CCCN([C@H](c2ccc(CC)cc2)c2sc3nc(CC)nn3c2O)C1 36370445 WRSLWJOBTJUQPZ-PKOBYXMFSA-N 442.585 3.986 0 40 IHAB COc1ccc(CNC(=O)c2nnn(-c3ccc(Cl)cc3)c2-c2cccnc2)cc1OC 38487503 MVTNHLTVXKMFCB-UHFFFAOYSA-N 449.898 3.930 0 40 IHAB COc1ccc(CNC(=O)c2nnn(-c3ccccc3Cl)c2-c2ccncc2)c(OC)c1 38487867 IKQSCFINFWDNIQ-UHFFFAOYSA-N 449.898 3.930 0 40 IHAB O=C(Nc1cccc(-c2cnco2)c1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 40152468 CRTVCJSOICDKOC-MRXNPFEDSA-N 429.473 3.520 0 40 IHAB Cc1cccc(N2CCN(C(=O)c3nnn(-c4ccc(Br)cc4)c3C)CC2)c1 51317456 RQXQVUZMLARKLL-UHFFFAOYSA-N 440.345 3.609 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CC(C)C)cc1 51364621 PXJHDGBENFSFKN-UHFFFAOYSA-N 439.537 3.960 0 40 IHAB COc1ccc(Cn2c(=O)c3sccc3n(CC(=O)Nc3cc(C)ccc3C)c2=O)cc1 57426586 YOBAXHLNSYMBSM-UHFFFAOYSA-N 449.532 3.537 0 40 IHAB COc1cc2c(cc1OC)C(=O)N[C@@]1(N2)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 58157421 YFORYCLYGDCMQU-XMMPIXPASA-N 449.894 3.912 0 40 IHAB CN(Cc1ccsc1)C(=O)CSc1nnc(-c2ccncc2)n1CC(F)(F)F 60163048 HWFPWBPYFGQUMC-UHFFFAOYSA-N 427.477 3.715 0 40 IHAB CCOc1ccc(CNC(=O)c2cn(-c3cc(-c4nc(C(C)(C)C)no4)ccn3)cn2)cc1 71768395 QCPWMBWDMPVZTA-UHFFFAOYSA-N 446.511 3.944 0 40 IHAB COc1cccc2cc(-c3ccc(OCC(=O)NCCc4ccccn4)cc3)c(=O)oc12 79193110 JEQZLHIZJSKSBZ-UHFFFAOYSA-N 430.460 3.601 0 40 IHAB biogenic COc1cc(I)c(Cl)cc1C(=O)NCCC[C@H]1CCC[C@H]1O 89420780 PPHHIPAERXJIBA-QMTHXVAHSA-N 437.705 3.624 0 40 IHAB O=C(NCCCN1CCOCC1)c1ccc2onc(-c3coc(-c4ccccc4)n3)c2c1 96037803 BTQBRLDANUOMOC-UHFFFAOYSA-N 432.480 3.602 0 40 IHAB COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@H]3N3CCCN23)cc1 100772754 OXUAIQLLSKQZEX-QYZOEREBSA-N 432.307 3.538 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)[C@H](C)N(c2ccccc2F)S(C)(=O)=O)cc1 220310616 ONSOQCQYKJETTD-HNNXBMFYSA-N 436.505 3.576 0 40 IHAB CCOc1ccc(N([C@@H](C)C(=O)NCc2ccc3ccccc3c2)S(C)(=O)=O)cc1 222762239 UUGKOVQQLKYKMS-KRWDZBQOSA-N 426.538 3.709 0 40 IHAB COc1ccc(OC)c(S(=O)(=O)N(C)Cc2nc(-c3ccc(C(C)C)cc3)no2)c1 223621500 KEISCASBCWSWIA-UHFFFAOYSA-N 431.514 3.698 0 40 IHAB CC(C)c1ccccc1OCCNC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1 223798819 ZVOMOCYSLULNJS-UHFFFAOYSA-N 430.570 3.544 0 40 IHAB Cc1ccc(OCCNC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2C)c(C)c1 224102807 SRIRDWFJZNUISM-UHFFFAOYSA-N 444.597 3.841 0 40 IHAB CC[C@H](C(=O)NCCOc1ccc(C)c(Cl)c1)N(c1ccc(C)cc1)S(C)(=O)=O 224157577 REGAJSOMTFFVET-HXUWFJFHSA-N 438.977 3.697 0 40 IHAB CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN1C(=O)c2cccc3cccc1c23 224374415 QEUZXQLWBQVYEW-OAQYLSRUSA-N 447.510 3.883 0 40 IHAB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc[nH]2)cc1Cl 225233569 TWJHKKFYXAUANK-PMACEKPBSA-N 441.944 3.825 0 40 IHAB Cc1ccc2c(c1)[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c3ccccc3)C1)CC(C)(C)O2 225512291 YFSCTPJSOCUABJ-WIYYLYMNSA-N 442.581 3.814 0 40 IHAB CCc1ccc([C@H](C)NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc1 225594502 FSCNSQIDIIXJAW-AWEZNQCLSA-N 439.375 3.655 0 40 IHAB Cc1cc(NC(=S)NCc2ccccc2CN2CCCC2=O)ccc1N1CCCC1=O 225653015 JFVOJPRYVLWRIQ-UHFFFAOYSA-N 436.581 3.731 0 40 IHAB C[C@@H]1CCCCN1c1cc(N2CCCCC2)nc(NC(=S)NCc2cccnc2)n1 225939725 ZUUDMZOMZLDLBM-QGZVFWFLSA-N 425.606 3.727 0 40 IHAB CS(=O)(=O)N[C@H](CC(=O)Nc1cccc(Br)c1)c1ccc(Cl)cc1 225950947 JOQRKHOVPQDOMG-OAHLLOKOSA-N 431.739 3.722 0 40 IHAB O=C(c1ccccc1CN1CCOCC1)N1CCC[C@@H](Cc2cccn3nccc23)CC1 257203059 AOMUHBNXZSSCPI-OAQYLSRUSA-N 432.568 3.652 0 40 IHAB NC(=O)c1ccc(-c2cccc([C@H]3CN(C(=O)CCCc4ccc(F)cc4)CCO3)n2)cc1 257248033 JBTBUSRRFQIDIM-XMMPIXPASA-N 447.510 3.909 0 40 IHAB COC(=O)c1ccccc1NC(=O)CN1c2ccc(C)cc2-c2ccccc2S1(=O)=O 408624356 HCRRKYHMSOHMNA-UHFFFAOYSA-N 436.489 3.596 0 40 IHAB COc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2cccc(Cl)c2)c(OC)c1 408665531 MISBCNSTMLPYDQ-UHFFFAOYSA-N 434.876 3.648 0 40 IHAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCC(C)CC3)c(C)c2)cc1 408675369 WVWVGHHIOWSFTK-UHFFFAOYSA-N 446.569 3.832 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)cc3)c(C)c2)cc1 408677924 SIKIRSDHJIDITQ-UHFFFAOYSA-N 444.484 3.961 0 40 IHAB CCS(=O)(=O)N(C)c1ccc(C(=O)NCCSCc2ccc(Cl)cc2)cc1 408705353 CVQWIACBVABJKY-UHFFFAOYSA-N 426.991 3.789 0 40 IHAB COc1ccc([C@@H]2[C@H](NC(=O)c3cccc(C)c3)C(=O)N/[N+]2=C\c2ccccc2Cl)cc1 409073802 TWTRGMAVPQFQHH-LMOLPZMTSA-O 448.930 3.673 0 40 IHAB Cc1cccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3c(C)cccc3C)n2C)c1 409131172 KAEVGMQWXHXMAQ-QGZVFWFLSA-N 437.569 3.962 0 40 IHAB COCCOc1nc(-c2ccccc2)nc2c1CCN(C(=O)Cc1ccc(C)cc1)CC2 585111211 JHRDDXRGWIQRGJ-UHFFFAOYSA-N 431.536 3.647 0 40 IHAB Cc1cccc(CN2CCCC[C@H]2C(=O)NCc2ccc(C(=O)N=c3cc[nH]cc3)cc2)c1 1251975933 FFUJPHCNZUEEIH-VWLOTQADSA-N 442.563 3.735 0 40 IHAB CS(=O)(=O)c1ccc(CCC(=O)NC[C@@H](O)c2ccc(-c3cccs3)cc2)cc1 1775976488 AMTBSRSEROTKAL-HXUWFJFHSA-N 429.563 3.601 0 40 IHAB C[C@@H](NC(=O)c1ccc(Cl)cc1)c1nnc(SCC(=O)NC2CCCCC2)n1C 813771 KNXHOZVUSBBFSM-CYBMUJFWSA-N 435.981 3.501 0 40 IHAB COC(=O)C1=CC(C(=O)c2ccc3ccccc3c2)=NN(c2ccccc2)[C@@H]1C(=O)OC 983949 GUZBGWNEPBSXDC-QFIPXVFZSA-N 428.444 3.540 0 40 IHAB CC(=O)NCCc1ccc(S(=O)(=O)Nc2c(C)cc(Br)cc2C)cc1 1095606 NYIJAWAGGVAMCZ-UHFFFAOYSA-N 425.348 3.545 0 40 IHAB Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccco3)C(=S)NCCCN(C)C)cc12 4132844 XVXNGRIEYVSYDE-UHFFFAOYSA-N 426.586 3.566 0 40 IHAB C[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccccc3O)n[nH]2)cc1 8845187 DBVWYIABAPUILM-OAHLLOKOSA-N 440.525 3.598 0 40 IHAB CCc1nnc2n1N[C@H](c1ccc(Cl)cc1)[C@@H](C(=O)Nc1ccccc1OC)S2 9239270 RUXIBTQKNSMWBW-MSOLQXFVSA-N 429.933 3.900 0 40 IHAB O=C(CN1C(=O)C[C@H](c2ccccc2)S(=O)(=O)c2ccccc21)Nc1ccc(F)cc1 9416643 QVVGNMQNCAKMPK-OAQYLSRUSA-N 438.480 3.716 0 40 IHAB COc1ccc(Cc2nnc(SCC(=O)N3c4ccccc4NC(=O)C[C@H]3C)o2)cc1 9495386 ASQKVNSFSNJAQV-CQSZACIVSA-N 438.509 3.525 0 40 IHAB O=C(CCc1nc2ccccc2n1-c1ccccc1)OCCN1C(=O)c2ccccc2C1=O 9562826 KQXOADMEZDDMST-UHFFFAOYSA-N 439.471 3.798 0 40 IHAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1cccc(NS(=O)(=O)c2ccccc2)c1 9596696 NMHLIZASBYGQSS-OAQYLSRUSA-N 439.537 3.647 0 40 IHAB O=C(Nc1nnc(CCc2ccccc2)s1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 9667500 HTSMIWIXYAZNCN-HNNXBMFYSA-N 426.929 3.968 0 40 IHAB CC(C)CCn1c(=O)c2ccccc2n2c(COC(=O)c3ccc(F)cc3F)nnc12 9672453 PRSDXCIMJRMPET-UHFFFAOYSA-N 426.423 3.726 0 40 IHAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 9714379 RQRPTMJCQWITHA-UHFFFAOYSA-N 430.464 3.739 0 40 IHAB COc1ccccc1N(CC(=O)N(C)Cc1ccccc1)S(=O)(=O)c1cccs1 10021882 ONEKAFADBGWSCT-UHFFFAOYSA-N 430.551 3.611 0 40 IHAB CCOC(=O)CN(C(=O)COC(=O)c1ccc(COc2ccccc2)o1)c1ccccc1 10874331 ODXYJAMWPBSTPI-UHFFFAOYSA-N 437.448 3.612 0 40 IHAB COc1ccc(-c2cc(C(=O)Nc3cc(C)ccc3C)nn2[C@@H]2CCS(=O)(=O)C2)cc1 11996850 AACNDTTZCAEWGZ-GOSISDBHSA-N 439.537 3.787 0 40 IHAB CCCCN(C)C(=O)Cn1c([C@@H]2CC(=O)N(c3cccc(OC)c3)C2)nc2ccccc21 12062104 GONURGJHHRKBLP-GOSISDBHSA-N 434.540 3.824 0 40 IHAB CC(C)[C@H](N[C@@H](C)C(=O)N1CCN(c2ccccc2)CC1)c1ccc2c(c1)OCCCO2 12606185 IDMYFKWBUNGMFA-CPJSRVTESA-N 437.584 3.872 0 40 IHAB CC(C)(C)NC(=O)[C@@H](c1ccccc1)N(C(=O)c1csnn1)c1ccc2c(c1)OCO2 12638063 BQZLLEPFWXELBP-LJQANCHMSA-N 438.509 3.570 0 40 IHAB CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)CC1 12650991 GONJCSLHYLEVFE-UHFFFAOYSA-N 434.945 3.571 0 40 IHAB Cc1ccc(OCC(=O)Nc2sc3c(c2C(=O)N2CCOCC2)CCCC3)c(C)c1 12753736 MVRFPSZXLMPBLC-UHFFFAOYSA-N 428.554 3.734 0 40 IHAB COc1cc(C(=O)Nc2nc(CN3C[C@H](C)O[C@H](C)C3)cs2)cc(Cl)c1OC 12756314 HUDYHIZQZRBZLY-TXEJJXNPSA-N 425.938 3.675 0 40 IHAB Cc1ccccc1C(=O)N1CCC(C(=O)O[C@@H](C)C(=O)N2CCCc3ccccc32)CC1 12862404 OECHSYXWHLDOOR-IBGZPJMESA-N 434.536 3.758 0 40 IHAB C[C@@H](C(=O)NCc1ccccc1Cl)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 12997781 MLJVMJVMELCFTR-INIZCTEOSA-N 442.943 3.711 0 40 IHAB Cc1ccc(Nc2nc(CN3CCN(S(=O)(=O)c4ccccc4F)CC3)cs2)cc1 13038053 SVTNQUASGDLWOY-UHFFFAOYSA-N 446.573 3.841 0 40 IHAB O=C(c1cc2ccccc2o1)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 13113404 MOBXTYDMQITMTG-UHFFFAOYSA-N 439.320 3.886 0 40 IHAB O=C(NCCOc1ccc2nnc(-c3ccccc3Cl)n2n1)Nc1ccccc1F 13706645 DAPMJILOXVAUBW-UHFFFAOYSA-N 426.839 3.784 0 40 IHAB C[C@@H](OC(=O)c1c(NC(=O)C2CCCCC2)sc2c1CCC2)C(=O)Nc1ncccn1 14045418 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COc1ccccc1NC(=O)c1cnc([C@@H]2CCCN2C(=O)c2ccnn2C(C)C)nc1C 19755435 LPIMWMZQRZAEOS-IBGZPJMESA-N 448.527 3.801 0 40 IHAB Cc1nc([C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)ncc1C(=O)Nc1ccccc1 19765248 XRMDKLDPOVHLDI-SFHVURJKSA-N 436.537 3.606 0 40 IHAB COCc1cc(C)nc2c1C(=O)N[C@@H](c1ccc(NC(C)=O)cc1)N2Cc1ccccc1 19932515 FVQHSUXRLZYNTR-HSZRJFAPSA-N 430.508 3.944 0 40 IHAB CN(C(=O)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1)C1CCCCC1 20038478 SWTNTWIQVOFSPQ-JOCHJYFZSA-N 428.554 3.575 0 40 IHAB CN(Cc1ccc(/C=C/C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)o1)S(C)(=O)=O 20449954 QWVMCYMUQWVQBH-SOFGYWHQSA-N 436.839 3.995 0 40 IHAB Cn1cc(C(=O)N2CCN(C(=O)c3ccc(Br)cc3)CC2)c2ccccc21 20732547 FNWXDCYCMRDITD-UHFFFAOYSA-N 426.314 3.539 0 40 IHAB COc1ccc2c(c1)cc(C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1nccs1)n2C 20737182 WTOYOMGUUQKWHG-SFHVURJKSA-N 434.521 3.623 0 40 IHAB O=C(NCc1ccccc1Cl)c1ccc2c(=O)[nH]c3c(-c4ccccc4)nnn3c2c1 21147538 DNSDCXXFFCGWRK-UHFFFAOYSA-N 429.867 3.821 0 40 IHAB COc1cc(NC(=O)c2ccc(-n3cnc4ccccc4c3=O)cc2)cc(OC)c1OC 21703234 ASMPKHWFGZBCFB-UHFFFAOYSA-N 431.448 3.664 0 40 IHAB Cc1nc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)sc1-c1ccccn1 23497889 DXXXPZPHDKWLQF-UHFFFAOYSA-N 436.946 3.670 0 40 IHAB COc1ccc([C@@H](CNC(=O)c2sc(C)nc2-c2ccccc2)N2CCOCC2)cc1 23936740 YYIBVXSFTHIMSN-OAQYLSRUSA-N 437.565 3.930 0 40 IHAB COc1ccc(-c2cc3ncnc(NC[C@H]([C@H]4CCOC4)N4CCOCC4)c3s2)cc1 24204498 TZBNMFVVWGZOKM-FXAWDEMLSA-N 440.569 3.516 0 40 IHAB CN(CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1)S(=O)(=O)c1cccs1 24442172 HWJLDRUVKGLIDS-UHFFFAOYSA-N 432.489 3.579 0 40 IHAB NC(=O)[C@@H]1CC(C(=O)Nc2ccc(SCc3cccnc3)cc2)=NN1c1ccc(F)cc1 24763220 XEPAIOFWFPMOER-NRFANRHFSA-N 449.511 3.572 0 40 IHAB Cc1nn(-c2ccc(C(=O)N(Cc3ccco3)[C@H]3CCS(=O)(=O)C3)cc2)c(C)c1Cl 25815530 SRCJLXUHTDWGEH-SFHVURJKSA-N 447.944 3.565 0 40 IHAB COC(=O)c1ccccc1NS(=O)(=O)c1ccc(SC)c(C(=O)N2CCCCC2)c1 26115786 VWOGMPRTEGHUCT-UHFFFAOYSA-N 448.566 3.622 0 40 IHAB COc1ccc(-c2nnc([C@@H](C)OC(=O)c3ccc(CNC(=O)NC(C)C)cc3)o2)cc1 27832829 QFEZVRIBWAPMGM-OAHLLOKOSA-N 438.484 3.871 0 40 IHAB CCOc1c(Cl)cc(C(=O)N2CSC[C@@H]2C(=O)NCc2ccccc2)cc1OC 30583424 RLAWZGWJKFUQDA-QGZVFWFLSA-N 434.945 3.579 0 40 IHAB COc1ccc([C@H](C)NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1 30854568 MKFAMRWWEZNURO-LBPRGKRZSA-N 431.341 3.645 0 40 IHAB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)NCCc1ccc(F)cc1 31082025 JWJDRGKCBMBSGR-UHFFFAOYSA-N 430.476 3.519 0 40 IHAB O=C(c1ccc(F)cc1)c1ccc(OC(=O)C2(CC(=O)N3CCOCC3)CCCC2)cc1 32738012 AAWZKWYMGPAPKC-UHFFFAOYSA-N 439.483 3.771 0 40 IHAB COC(=O)c1ccc(C)c(S(=O)(=O)NC[C@H](C)c2nc3ccccc3n2C(F)F)c1 32927618 JRYITQCBIZZAON-ZDUSSCGKSA-N 437.468 3.608 0 40 IHAB O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1cc2ccccc2oc1=O 33681610 HMPVOLSKKRMYCT-UHFFFAOYSA-N 426.494 3.610 0 40 IHAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(OC)cc4)c3C)C2=O)o1 34721036 KTEGSVQWSSQLKP-NDENLUEZSA-N 449.463 3.575 0 40 IHAB COc1ccccc1-n1c(SCC(=O)NCc2ccccc2)nnc1-c1ccccn1 35289131 MXBOKPIOPBPOAH-UHFFFAOYSA-N 431.521 3.746 0 40 IHAB O=C(O)CCn1c(/C=C/c2cccc(NC(=O)C(F)(F)F)c2)nc2ccccc2c1=O 36745036 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3.665 0 40 IHAB O=C(c1cccs1)c1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)s1 90610584 FFRAGJCOACTNFB-CYBMUJFWSA-N 428.510 3.849 0 40 IHAB COC(=O)C[C@@H](c1ccc(OC)c(O)c1)c1c(O)n[nH]c1Cc1cc(F)c(F)cc1F 96231227 HWNIEKIWLBUOQM-LBPRGKRZSA-N 436.386 3.533 0 40 IHAB CCCC(=O)N1CCc2nc3cc(C4CCN(CCc5ccccc5)CC4)nn3c(O)c2C1 100243054 HWAMZZPMWCZIJP-UHFFFAOYSA-N 447.583 3.542 0 40 IHAB COCCn1c(-c2ccc(NC(C)=O)cc2F)cs/c1=N/c1ccc2c(c1)OCCO2 104738176 ODUXTFATHDITNV-YYDJUVGSSA-N 443.500 3.964 0 40 IHAB Cn1/c(=N\C(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2ccccc2)sc2ccccc21 104991372 OYHSKBWXCIPVJF-WHEOYJBGSA-N 427.529 3.934 0 40 IHAB CCn1c(SCC(=O)Nc2nc(C)cs2)nnc1[C@@H](C)NC(=O)c1ccccc1C 107946062 OLMRJBWPCCRVGM-CQSZACIVSA-N 444.586 3.593 0 40 IHAB Cc1ccc(C)c(NC(=O)[C@H](C)SC(=S)N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)c1 113480982 IDYRLVHBJVAJJH-BZSNNMDCSA-N 441.622 3.930 0 40 IHAB Cc1ccc(OC[C@H](C)NC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 219633469 HCCYTOZXMAJBSP-KRWDZBQOSA-N 438.977 3.778 0 40 IHAB CC[C@@H](NC(=O)[C@@H](C)N(c1cc(OC)ccc1OC)S(C)(=O)=O)c1ccc(C)cc1C 220223607 OSGYPHKMBWTTNP-YLJYHZDGSA-N 448.585 3.743 0 40 IHAB CC[C@H](C(=O)Nc1ccc2c(c1)OCO2)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 220685755 LVHAQNNVHRJNFX-CQSZACIVSA-N 445.324 3.905 0 40 IHAB Cc1c(C(=O)NCCSCc2c(F)cccc2Cl)cccc1N(C)S(C)(=O)=O 222431809 NEQDWWXNPSUYEK-UHFFFAOYSA-N 444.981 3.847 0 40 IHAB CC[C@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccc(C)cc2O1)c1ccc2c(c1)CCCC2 223100797 MSKFXMYKZKAOCT-REWPJTCUSA-N 442.581 3.668 0 40 IHAB CCCC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NC[C@@H]1CCCO1 223198708 CHJDQMGHJLXICT-XZOQPEGZSA-N 426.532 3.861 0 40 IHAB CCn1c(=O)sc2cc(S(=O)(=O)NCCOc3ccccc3C(C)(C)C)ccc21 223742263 GKNRLYQZYRTYDX-UHFFFAOYSA-N 434.583 3.738 0 40 IHAB O=C(NCCOc1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl 224402066 CMWMISHRGDOSMK-UHFFFAOYSA-N 430.913 3.950 0 40 IHAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)COc2ccccc2F)cc1 224571451 OSIYJLCZKKVUEK-UHFFFAOYSA-N 444.484 3.961 0 40 IHAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCCc2cccc(OC)c2)cc1 224624101 UYLFIKNHPNFPQV-QJOMJCCJSA-N 434.492 3.817 0 40 IHAB COc1cc(C)c(C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1C(C)C 225661697 JAPGHFBEDSGEMN-UHFFFAOYSA-N 430.570 3.582 0 40 IHAB COc1cc2c(cc1S(=O)(=O)N(C)Cc1nc(-c3ccc(C)cc3)no1)CCCC2 225785329 GLAFJPFQUPEFPD-UHFFFAOYSA-N 427.526 3.753 0 40 IHAB C[C@@H]1CCCN(c2cc(N3CCCCCC3)nc(NC(=S)NCc3cccnc3)n2)C1 225940600 IPGYXFYXBDLIPO-GOSISDBHSA-N 439.633 3.975 0 40 IHAB CCn1nc(C(C)C)cc1C(=O)N1CCC[C@@](COc2cccc(Cl)c2)(CC(N)=O)C1 257254154 KBWZZCUAYFIBJW-HSZRJFAPSA-N 446.979 3.857 0 40 IHAB O=C1CCCN1CCOc1ccccc1C(=O)N1CC[C@@H](Cc2cccc3ncccc23)C1 257283767 OZUHAJQSYBWHEK-FQEVSTJZSA-N 443.547 3.941 0 40 IHAB CCOc1ccccc1N(CCCC(=O)N[C@H](C)COc1ccccc1C)S(C)(=O)=O 260512192 VPQUFEWRBLBGKU-LJQANCHMSA-N 448.585 3.524 0 40 IHAB CCOc1ccc(N(CCCC(=O)N[C@H](C)c2ccccc2OC)S(C)(=O)=O)cc1 260767874 PQNGWBPUXWZANT-QGZVFWFLSA-N 434.558 3.518 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc4sncc4c3)C2)c1 260825589 HWPIOKPZCLDKSJ-INIZCTEOSA-N 429.567 3.953 0 40 IHAB O=C(COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)Nc1ccc(F)cc1F 408531086 LZMCXMZLBCIWIP-UHFFFAOYSA-N 436.411 3.922 0 40 IHAB CC(C)Oc1cccc(NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)c1 408615639 BPYYFGDIIGDBEM-UHFFFAOYSA-N 441.347 3.641 0 40 IHAB Cc1cccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4C[C@@H](C)CC[C@H]4C3=O)c2)c1 408657729 HNQKIYQHXYHKKP-DQLDELGASA-N 434.492 3.716 0 40 IHAB Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)c(C)c1 408661691 GYCPGOINETVRCA-UHFFFAOYSA-N 440.496 3.769 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccccc2)cc1 408662498 JBKQUAFICMZTFC-UHFFFAOYSA-N 426.469 3.544 0 40 IHAB Cc1cc(C)cc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC=C[C@H](C)[C@H]4C3=O)cc2)c1 408665754 QFDMQLKDDQWWPI-AMHTUMDSSA-N 446.503 3.801 0 40 IHAB C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3cccs3)C(=O)c3ccccc3Cl)C(=O)[C@@H]21 408665808 ZLONBLCUXHQWBO-FRIZHTMISA-N 442.924 3.839 0 40 IHAB CC(=O)Nc1ccc(NC(=O)COC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)c2ccccc2)cc1 408669926 XNMHDFKEVNYVGG-PTRHGPIFSA-N 434.492 3.672 0 40 IHAB COc1cc(OC)cc(C(=O)Nc2ccc3sc(C(=O)N4CCOCC4)cc3c2)c1 408713238 PDYYHJNDPVXFQO-UHFFFAOYSA-N 426.494 3.643 0 40 IHAB Cc1cccc(NC(=O)Cn2cc(/C=C3/SC(=O)N(CC(=O)O)C3=O)c3ccccc32)c1 409146092 JEXCCFOGNIKLKJ-VXLYETTFSA-N 449.488 3.709 0 40 IHAB CCc1cccc(C)c1NC(=O)C1CCN(S(=O)(=O)c2cc(C)ccc2OC)CC1 409377023 FEQNZMVFBUTSTB-UHFFFAOYSA-N 430.570 3.914 0 40 IHAB COc1ccc(CCC(=O)Nc2ccc(F)cc2NS(C)(=O)=O)cc1Br 538048122 VUVSVHPSEQINDG-UHFFFAOYSA-N 445.310 3.540 0 40 IHAB O=C(c1ccccc1)N1CCO[C@]2(C1)C(=O)N(Cc1cccs1)C[C@@H]2c1ccccc1 585107174 QLSMSZRRLWJAJC-RDGATRHJSA-N 432.545 3.786 0 40 IHAB Cc1c(C)n(C[C@H](O)CN(CCCO)Cc2ccc(OCCF)cc2)c2ccccc12 585270478 XMYZGNLQPZOESQ-JOCHJYFZSA-N 428.548 3.852 0 40 IHAB CO[C@@H]1CCN(C2CCN(S(=O)(=O)c3ccc(Oc4cccc(C)c4)cc3)CC2)C1 1565523354 LZKGNEGEPUXPOU-JOCHJYFZSA-N 430.570 3.661 0 40 IHAB COc1ccc(CNC(=O)CSc2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)cc1 1368163 DIDLWKUMOGLUTN-GFCCVEGCSA-N 429.567 3.527 0 40 IHAB COc1ccc(CN(C(=O)/C=C/c2ccc(Cl)cc2)[C@@H]2CCS(=O)(=O)C2)cc1OC 2388540 FIAJVEJCJRIQBK-ZAOIQFLMSA-N 449.956 3.586 0 40 IHAB O=C(NC[C@]12C=C[C@H](O1)C(Cl)(Cl)C(=O)C2(Cl)Cl)OCc1ccccc1 3851582 JOUKAXDNEIEFJP-FZMZJTMJSA-N 425.095 3.537 0 40 IHAB Cc1cccc(N(C(=O)c2ccccc2)[C@H]2CS(=O)(=O)C[C@H]2OC(=O)c2ccccc2)c1 6142363 KGRXKQPYJIBNJG-XZOQPEGZSA-N 449.528 3.664 0 40 IHAB COCCCNC(=S)N(Cc1ccc(C)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O 6406907 ISGYVYLUAWSRBA-UHFFFAOYSA-N 439.581 3.758 0 40 IHAB Cc1ccc2cc(CN(C[C@@H]3CCCO3)C(=S)NCCc3ccccc3)c(=O)[nH]c2c1 6409594 JYLSQZZOVDNPJU-QFIPXVFZSA-N 435.593 3.935 0 40 IHAB CC(C)COc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCN(C)CC2)cc1 6708269 MJFKOANKTQMGGY-UHFFFAOYSA-N 426.586 3.600 0 40 IHAB C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)c2ccc3c(c2)-c2ccccc2C3)C1=O 9092679 FWTOKFZHEUHYQV-AREMUKBSSA-N 440.455 3.636 0 40 IHAB COc1ccc(CN2C(=O)N[C@@H](CCC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1 9419009 PMVAPMFIEZMHPV-KRWDZBQOSA-N 436.295 3.841 0 40 IHAB C[C@@H](NC(=O)c1ccccc1NC(=O)Cn1cnc2ccccc2c1=O)c1ccccc1 9514924 NINTVRQRNVSXHG-QGZVFWFLSA-N 426.476 3.526 0 40 IHAB Nn1c(SCC(=O)N2CCc3ccccc32)nc2scc(-c3ccccc3)c2c1=O 9584310 DZHWSUJRMXOHFM-UHFFFAOYSA-N 434.546 3.520 0 40 IHAB COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)c1cc(OC)c2c(c1)OCCO2 9585636 PCCTTYPUZVBRKL-UHFFFAOYSA-N 429.469 3.568 0 40 IHAB COc1ccc(NC(=O)Cc2csc(NC(=O)c3ccc(OC)c(OC)c3)n2)cc1C 9659205 BVANXRZFKOVZDU-UHFFFAOYSA-N 441.509 3.911 0 40 IHAB CCOc1ccc(NC(=O)c2ccc(NC(=O)Cc3n[nH]c(=O)c4ccccc34)cc2)cc1 9716112 SZLYOLLBCHVPIK-UHFFFAOYSA-N 442.475 3.755 0 40 IHAB CCCCNC(=O)CCc1nnc2n(Cc3ccc(Cl)cc3)c(=O)c3ccccc3n12 9831457 BDMKFTAFRXUFIT-UHFFFAOYSA-N 437.931 3.595 0 40 IHAB O=C(COC(=O)C1(c2ccccc2)CC1)Nc1ccccc1C(=O)NCCc1ccccc1 9913116 MQUIIJFAZAJCGX-UHFFFAOYSA-N 442.515 3.873 0 40 IHAB Cc1cccc(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(C)c(Cl)c3)n(C)c2=O)c1 10104832 YYYGTEOGKUEFPR-UHFFFAOYSA-N 449.942 3.757 0 40 IHAB O=C(NCCc1ccc(-n2cccn2)cc1)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 10222771 PUROYJJHELNDQK-UHFFFAOYSA-N 441.535 3.671 0 40 IHAB C[C@H](OC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)C(=O)c1ccc(OC(F)F)cc1 10241285 PSRFEAKVWOIJLV-JTQLQIEISA-N 432.828 3.773 0 40 IHAB CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 11074977 GXFCUKGYEJIDGQ-QHCPKHFHSA-N 437.565 3.787 0 40 IHAB COc1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3ccc4[nH]ccc4c3)cc2)cc1 12409216 CFTBFEDWFGZGPZ-UHFFFAOYSA-N 435.505 3.907 0 40 IHAB CCCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 12411397 MVFNIRKXWPCRIJ-QGZVFWFLSA-N 434.583 3.898 0 40 IHAB CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1cncn1-c1ccc(F)cc1 12547340 DWLDKMQYRCGFCF-UHFFFAOYSA-N 425.851 3.564 0 40 IHAB O=C(CSc1nnnn1C[C@H]1CCCO1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 12789442 KGNVUPPQUCVTDI-UYAOXDASSA-N 443.960 3.503 0 40 IHAB Cc1ccsc1[C@H](C(=O)NC(C)(C)C)N(Cc1cccnc1)C(=O)c1csnn1 12874734 PVMYCXJQHSZKMS-MRXNPFEDSA-N 429.571 3.601 0 40 IHAB COc1ccc(CCn2c(C)cc(C(=O)CN3CCN(c4ccccn4)CC3)c2C)cc1 12979634 YDHAAHRPAQSKTN-UHFFFAOYSA-N 432.568 3.756 0 40 IHAB CCOC(=O)Cc1csc(SCC(=O)N(C)CCOc2ccc(Cl)cc2)n1 12983022 QBEPBLQSLVCVPR-UHFFFAOYSA-N 428.963 3.532 0 40 IHAB COc1cc(C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)cc(OC)c1Br 12987062 KXNVSFYFLOFYMW-GFCCVEGCSA-N 431.290 3.538 0 40 IHAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 13004149 MKGSAGVKUAVVNO-LJQANCHMSA-N 443.975 3.815 0 40 IHAB O=C(Nc1cccc(Cl)c1)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 13138776 NIACPDWVLRKFCV-HNNXBMFYSA-N 429.325 3.703 0 40 IHAB O=C(CN1C(=O)C(=O)N(CCC2=CCCCC2)C1=O)Nc1ccccc1Cc1ccccc1 14157425 VNHMYWDCYKVBKN-UHFFFAOYSA-N 445.519 3.897 0 40 IHAB CCN(CC)C1=NC(=O)[C@H](CC(=O)Nc2cccc(C(=O)Nc3ccc(F)cc3)c2)S1 14202036 UQFFSVSUPOWGCZ-SFHVURJKSA-N 442.516 3.746 0 40 IHAB CCC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)/C=C/c3ccccc3)co2)s1 16047792 NAEACTASRUJIEA-CMDGGOBGSA-N 443.506 3.751 0 40 IHAB O=C(O)c1cc(NC(=O)c2cc(Br)c3ccccc3c2O)cc(C(=O)O)c1 16525368 HAJYWZZMXDDPFN-UHFFFAOYSA-N 430.210 3.957 0 40 IHAB Cc1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)c(C)cc1Cl 17097301 AREAIWDWDGLNHI-UHFFFAOYSA-N 430.979 3.834 0 40 IHAB CC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc4ccccc4c3)cc2)CC1 17098077 CIPFNZMCUMLVEZ-UHFFFAOYSA-N 432.549 3.635 0 40 IHAB CCOC(=O)c1ccc(N(Cc2cccnc2)C(=S)NC(=O)/C=C/c2ccco2)cc1 17099562 LPRYUZUSWLPEPR-VAWYXSNFSA-N 435.505 3.972 0 40 IHAB CC(C)C(=O)N1CCC(c2nc(O)cc([C@@H]3CCCN(C(=O)C[C@@H]4C=CCC4)C3)n2)CC1 19085298 BQASSZZHMSHYAG-UYAOXDASSA-N 440.588 3.607 0 40 IHAB Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@H]1CCCN(C(=O)c3ccc(CN(C)C)cc3)C1)N2 19128204 TYYZTPDXPRVJFY-SLFFLAALSA-N 431.531 3.796 0 40 IHAB CCCN1CCN(C(=O)c2c[nH]nc2C)C[C@H](Cc2cccc(-c3ccccc3)c2)C1=O 19502993 PVVCLWDGERIBMW-QHCPKHFHSA-N 430.552 3.938 0 40 IHAB COc1ccccc1-c1nc(CN2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cs1 19539317 DBARKTAISVEPLC-UHFFFAOYSA-N 440.544 3.714 0 40 IHAB Cc1nc([C@H]2CCCCN2C(=O)Cn2cccn2)nc2c1CCCN2Cc1cccc(F)c1 19706279 KYBNXWHUFONZNF-JOCHJYFZSA-N 448.546 3.827 0 40 IHAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)OCc1nc(N)nc(Nc2ccccc2)n1 20066075 VPMYOTXHZFQZJW-UHFFFAOYSA-N 449.902 3.761 0 40 IHAB CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)N2CCCc3ccccc32)c1 22389734 JWJZYLHSZIRNIO-UHFFFAOYSA-N 427.570 3.520 0 40 IHAB CCCOc1ccccc1CCCNC(=O)CN(c1c(C)cc(C)cc1C)S(C)(=O)=O 22425304 RCSMALUNSDTOTN-UHFFFAOYSA-N 446.613 3.916 0 40 IHAB CCOC(=O)c1ccc(NC(=O)C[C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cc1 22715120 HGNZFZKJWBPQFB-HXUWFJFHSA-N 444.553 3.744 0 40 IHAB CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)N1CCc2ccccc2C1 23156605 PRLBKIWQIAUAPB-LJQANCHMSA-N 447.398 3.886 0 40 IHAB COc1ccc(C)cc1NC(=O)C[C@@H]1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21 23382440 WMSRLGMIOFGFIX-OAQYLSRUSA-N 441.491 3.865 0 40 IHAB CCOc1cc2c(cc1NC(=O)Cn1c(-c3ccc(OC)cc3)n[nH]c1=S)O[C@@H](C)C2 29129556 HPUZGIPKNMHLJT-ZDUSSCGKSA-N 440.525 3.977 0 40 IHAB Cc1nc(C)c2c(C)c(C(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)sc2n1 29519877 FJVZYAFXNKFVHK-UHFFFAOYSA-N 430.555 3.653 0 40 IHAB O=C(NCCN1CCc2ccccc2C1)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1 31338972 XFGAAYKMSNYRQN-DEOSSOPVSA-N 441.575 3.867 0 40 IHAB CC(C)C[C@@H](C(=O)O)N1CC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C1=O 33369285 MPIWMZZNSZSFPD-YADHBBJMSA-N 436.508 3.625 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2)c2ccc(F)cc2)cc1 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3.512 0 40 IHAB O=C(CC1CCCC1)NC[C@H]1CC[C@H](c2c(C(=O)NCCO)sc3ncccc32)CC1 257325927 WVBDSWBJKJVMOA-IYARVYRRSA-N 443.613 3.989 0 40 IHAB COc1cccc(C(=O)N2CCC[C@@](C)(c3cc(N)nc(C)n3)C2)c1OCc1ccccn1 257340431 ZGCDOSWDJKODII-RUZDIDTESA-N 447.539 3.544 0 40 IHAB Cc1ccc(N([C@H](C)C(=O)Nc2nnc(SCC(C)C)s2)S(C)(=O)=O)cc1C 260769612 PSWBVXBTWIDPKI-CQSZACIVSA-N 442.632 3.696 0 40 IHAB O=C1N/C(=C\c2cc(Br)c(Br)o2)C(=O)N1Cc1ccccc1 408955331 WXPIYNNBXYWVNI-GHXNOFRVSA-N 426.064 3.898 0 40 IHAB O=C(c1cccc(Cl)c1)N1CCC(C(=O)N2CCN(c3ccccc3F)CC2)CC1 409018675 ODHLELODRLMLFR-UHFFFAOYSA-N 429.923 3.680 0 40 IHAB Cc1cc(C)n([C@H](CNC(=O)Cc2ccc(S(=O)(=O)C(C)C)cc2)c2cccs2)n1 575610195 LQJCKIBGPSLYPO-HXUWFJFHSA-N 445.610 3.692 0 40 IHAB COc1ccc(CCC(=O)N2CCC[C@@]3(CCCN3C[C@H]3CCCO3)CC2)c(OC)c1 585100307 JXQYGUMZNOWVBD-RCZVLFRGSA-N 430.589 3.663 0 40 IHAB Cc1cc(C)c(C)c(OC[C@@]2(O)CN(C[C@]3(O)CC[C@@H](C(C)(C)C)CC3)CC[C@@H]2O)c1 585287181 KGBKWZSZKXXVJK-CWMWJYQDSA-N 433.633 3.756 0 40 IHAB Cc1ccccc1[C@@H](NC(=O)N1C[C@H](c2cnn(C)c2)[C@@H](C(N)=O)C1)C1CCC(C)CC1 672865852 IPFLAZXQLRMINQ-YVDDLQSZSA-N 437.588 3.506 0 40 IHAB CC1(C)[C@H](c2cc(F)c(F)c(F)c2)CCN1C(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1 1178534146 IOARKDXYBJTCRZ-WNSKOXEYSA-N 445.441 3.567 0 40 IHAB CCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(OCc2ccccc2F)c(OC)c1 724939 KIVRKBVONIJYMX-NRFANRHFSA-N 438.459 3.857 0 40 IHAB Cc1cc(C)nc(SCc2nnc(SCC(=O)Nc3ccc(Cl)cc3)n2C)n1 882974 JUVAXDAXZANJON-UHFFFAOYSA-N 434.978 3.898 0 40 IHAB COc1ccc(CCNC(=O)N[C@@]2(C(F)(F)F)Oc3ccc(Cl)cc3O2)cc1OC 1098138 LBUUNLRWNNQSGS-IBGZPJMESA-N 446.809 3.886 0 40 IHAB CC[C@H](C)NC(=O)c1c(N)n(CCc2ccc(OC)c(OC)c2)c2nc3ccccc3nc12 2264283 IONMTDDEFRDBBA-HNNXBMFYSA-N 447.539 3.955 0 40 IHAB Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3ccccc3Sc3ccccc3)nc2n1 2623242 LRVMCNLMJUQOCV-UHFFFAOYSA-N 433.493 3.688 0 40 IHAB CCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1 2653861 WKZDRPKXRHVDON-UHFFFAOYSA-N 440.521 3.928 0 40 IHAB CCOC(=O)c1c(NC(=O)[C@@H](C)OC(=O)c2ccccc2O)sc2c1CC[C@@H](C)C2 3313014 WXCIUQUTLICDIC-CHWSQXEVSA-N 431.510 3.939 0 40 IHAB CCCCn1c(SCC(=O)Nc2ccccc2C(=O)OC)nc2ccccc2c1=O 3492784 PLSVFLUXPCUFMM-UHFFFAOYSA-N 425.510 3.714 0 40 IHAB COCCn1c(SCC(=O)Nc2ccc3c(c2)CCC3)nc2cc(Cl)ccc2c1=O 3512383 GDLYQHDCDPZCOH-UHFFFAOYSA-N 443.956 3.916 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(-c2ccccc2)cc1 3559600 HTZNKOSMXLKOKR-UHFFFAOYSA-N 436.533 3.935 0 40 IHAB O=C(Nc1ccc(N2CCCCC2)cc1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 7950242 CTTIWFSOWTWUML-QFIPXVFZSA-N 427.570 3.859 0 40 IHAB CSc1nc(NC(C)C)c2cnn(CCNC(=O)c3ccc(OC(C)C)cc3)c2n1 8941336 HQXAQVSIVYUXCP-UHFFFAOYSA-N 428.562 3.586 0 40 IHAB C[C@H](OC(=O)c1cccc(-n2cnnn2)c1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 9253933 RKRRBZBWTOLITM-JTQLQIEISA-N 439.781 3.519 0 40 IHAB CCOc1ccc(C(=O)COC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 9506930 PPNSQDZXIQWKFI-UHFFFAOYSA-N 445.537 3.690 0 40 IHAB C[C@H](NCC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl)c1ccco1 9738882 FTGRLVWKMSTDJW-HNNXBMFYSA-N 439.965 3.787 0 40 IHAB CC(=O)N(c1ccc(F)cc1)C1CCN([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)CC1 9892296 SJZWEMSZJZETBY-OAQYLSRUSA-N 443.906 3.629 0 40 IHAB CCCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(C(=O)NC(C)C)c2)cc1 10009053 IYYBZENCFPVFSM-UHFFFAOYSA-N 448.541 3.591 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)NCCCc2ccccc2)c2ccccc2)cc1 10110242 YRTJKTZEKCOYID-UHFFFAOYSA-N 438.549 3.640 0 40 IHAB CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)C1 10302657 FYDSCJHYNHNIKQ-MRXNPFEDSA-N 434.945 3.571 0 40 IHAB COc1ccc2cc(C(=O)NCc3ccccc3CS(=O)(=O)NC(C)C)ccc2c1 10707547 QSLCABKEBATDNU-UHFFFAOYSA-N 426.538 3.606 0 40 IHAB CCOC(=O)c1nn(-c2ccccc2)c(=O)c2c(NC(=O)Cc3ccccc3)scc12 11757894 QXMNQPWGHRHZBE-UHFFFAOYSA-N 433.489 3.805 0 40 IHAB CCCNC(=S)N(CCc1cccc(C)c1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 12474494 RHUUUZKKDRZBLM-UHFFFAOYSA-N 437.565 3.894 0 40 IHAB CCOC(=O)C1=C(CSc2nc(-c3ccccc3)c[nH]2)NC(=O)N[C@H]1c1ccc(C)o1 12793876 RWRDHDDMYIUFFQ-IBGZPJMESA-N 438.509 3.942 0 40 IHAB O=C(CN1CCN(C(=O)c2ccc(-c3ccccc3F)o2)CC1)Nc1ccc(F)cc1 12915515 YIMWCDVONVEWLU-UHFFFAOYSA-N 425.435 3.621 0 40 IHAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1sc(-c2ccsc2)nc1C 13002123 AUYMYUIYNCCXDA-UHFFFAOYSA-N 440.550 3.705 0 40 IHAB CCc1nn2c3c(nnc2c1-c1ccc(OC)c(OC)c1)C(=O)C[C@@H](c1ccccc1O)C3 13639488 AEWXOPMACSJJLN-HNNXBMFYSA-N 444.491 3.989 0 40 IHAB COc1ccc(NC(C)=O)cc1NC(=O)CN(C)Cc1ccc(Br)s1 14185045 YJQVQZKEEVKQMR-UHFFFAOYSA-N 426.336 3.548 0 40 IHAB CCN(CC(=O)NCc1cccs1)CC(=O)N[C@H](c1ccc(C)cc1)c1cccs1 15420448 PORXGYDZMUMLQM-HSZRJFAPSA-N 441.622 3.962 0 40 IHAB COc1ccc(OC)c(-n2c(N)c(C(=O)NCc3ccccc3OC)sc2=S)c1 16945000 SYGXBTVRVDXQLL-UHFFFAOYSA-N 431.539 3.806 0 40 IHAB Cc1ccc(C)c(N2C[C@@H](C(=O)N3CCC[C@H](c4nc(-c5cccnc5)no4)C3)CC2=O)c1 19133722 DSWVJRHQADPWGR-PMACEKPBSA-N 445.523 3.508 0 40 IHAB CN(Cc1ccsc1)C(=O)CSc1nc2ccccc2c(=O)n1Cc1cccnc1 19184954 OBBHORSEDFBGKJ-UHFFFAOYSA-N 436.562 3.652 0 40 IHAB CC(=O)N1CCCc2cc([C@H](O)CN3CCN(c4cc(Cl)ccc4C)CC3)ccc21 19214580 QLSHZVLBWSRHBV-XMMPIXPASA-N 427.976 3.803 0 40 IHAB O=C(Cc1ccc(F)cc1)N1CCc2c(nc(N3CCCC3)nc2Oc2cccnc2)C1 19339867 OPRHDSKUZZXUOT-UHFFFAOYSA-N 433.487 3.531 0 40 IHAB O=C(Cc1cccnc1)N1CC[C@H]2[C@@H](C1)[C@H](c1ccc(F)cc1)CN2C(=O)c1ccccc1 19368971 RBAARTSGXYQPSG-SDHOMARFSA-N 443.522 3.920 0 40 IHAB CCN1CCN(C(=O)c2ccnn2C)C[C@H](Cc2ccccc2-c2ccc(C)cc2)C1=O 19527619 UZWSTWNNMMWGMS-QFIPXVFZSA-N 430.552 3.559 0 40 IHAB CN(C)c1cc([C@@H]2CCCN(C(=O)COc3ccccc3F)C2)nc(-c2cccnc2)n1 19584360 OWVVLPJSNFUZAO-GOSISDBHSA-N 435.503 3.529 0 40 IHAB CNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCN(C(=O)Cc2cccc(OC)c2)C1 19591495 OIABSRJWXGQSNR-MHZLTWQESA-N 443.547 3.507 0 40 IHAB NC(=O)c1sc2ncccc2c1[C@@H]1CCN(C(=O)CCCN2Cc3ccccc3C2)C1 19702472 BFFNUHLYLSBHIG-GOSISDBHSA-N 434.565 3.507 0 40 IHAB CCc1n[nH]c(C(=O)N2CCC[C@@H]2c2ncc(C(=O)Nc3ccccc3OC)c(C)n2)c1C 19755439 AGHJRRFQRSUYFP-LJQANCHMSA-N 448.527 3.617 0 40 IHAB CC(=O)N1CCC[C@H]1c1nc(CN(C)Cc2ccc3c(c2)CC(C)(C)O3)cc(N(C)C)n1 19760326 YPGWKHMQMADAIM-NRFANRHFSA-N 437.588 3.572 0 40 IHAB CC(=O)Nc1ccc(-n2ccc3c(nnc4c(-c5ccc(F)cc5)c(C)nn43)c2=O)cc1 19821614 ZAHSJTLXUPXVPQ-UHFFFAOYSA-N 428.427 3.501 0 40 IHAB CCCSc1nc(N2CCN(CCO)CC2)c2c3c(sc2n1)CO[C@@](C)(CC)C3 20358894 DYLLJDRJXNDJSM-NRFANRHFSA-N 436.647 3.549 0 40 IHAB O=C(CN1CCOCC1)Nc1ccc(NC(=O)c2ccccc2COc2ccccc2)cc1 21192955 KTQDUVFZWGBDHU-UHFFFAOYSA-N 445.519 3.789 0 40 IHAB CCOc1ccccc1N(CC(=O)N[C@@H]1CC(C)(C)Oc2cc(C)ccc21)S(C)(=O)=O 22333041 CJCKEFXCESPFCU-GOSISDBHSA-N 446.569 3.578 0 40 IHAB CS(=O)(=O)N(CC(=O)NCCCc1ccc(Cl)cc1)c1ccc(F)c(Cl)c1 22365551 CBPDRPPCCVCWBL-UHFFFAOYSA-N 433.332 3.648 0 40 IHAB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1cccs1)Nc1ccc(F)cc1F 22389773 SFLSGHMLZSEWPG-UHFFFAOYSA-N 426.441 3.999 0 40 IHAB COc1cc(OC)c(NC(=O)CCCN(C)S(=O)(=O)c2ccc(F)cc2)cc1Cl 23123537 ZDWSFUSGLQUHDZ-UHFFFAOYSA-N 444.912 3.536 0 40 IHAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NCCSCc3ccccc3)CC2)c1 24611925 HITPQSRNSXNKKM-UHFFFAOYSA-N 446.638 3.586 0 40 IHAB Cc1noc(C)c1COc1ccc(C(=O)OCCCN2C(=O)c3ccccc3C2=O)cc1 24706222 IDUAKTYEVLNPCV-UHFFFAOYSA-N 434.448 3.714 0 40 IHAB O=C(OCc1csc(-c2ccco2)n1)C1CCN(S(=O)(=O)c2ccccc2)CC1 25438047 JKJRTOMOTFHCAM-UHFFFAOYSA-N 432.523 3.547 0 40 IHAB Cc1cc(C(=O)Cn2cnc3ccc(Br)cc3c2=O)c(C)n1-c1nccs1 25487071 HNWZGTWWZPQBTK-UHFFFAOYSA-N 443.326 3.906 0 40 IHAB COc1ccc(NC(=O)[C@@H]2Cc3ccccc3O2)cc1NS(=O)(=O)c1ccc(F)cc1 29637446 UTNROAFIWHQUPZ-NRFANRHFSA-N 442.468 3.577 0 40 IHAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CSC(=S)N1CCCC1 32740777 QTPPJKQSVNGCEH-UHFFFAOYSA-N 433.521 3.606 0 40 IHAB COc1ccc([C@H]2CCCN2C(=O)CCC(=O)N2CCC(c3ccccc3)=N2)c(OC)c1 32820717 COJATXLSKHBIHR-JOCHJYFZSA-N 435.524 3.784 0 40 IHAB Cc1ccc(C2=NC3(CCN(C(=O)Nc4cccc(C(F)(F)F)c4)CC3)NC2=O)cc1 33267525 ZHVQCFYLZYXEAL-UHFFFAOYSA-N 430.430 3.957 0 40 IHAB NC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cc3cc(Cl)ccc3o2)CC1 37197410 DMKZZSKNQBEYEB-IBGZPJMESA-N 432.307 3.724 0 40 IHAB COc1ccccc1N1CCN(CCNC(=O)Cc2ccc(SC(C)C)cc2)CC1 38589573 PVSVHDGTXHMBMS-UHFFFAOYSA-N 427.614 3.677 0 40 IHAB Cc1ccc(Sc2ccc3nn(CC(=O)Nc4ccc(F)c(Cl)c4)c(=O)n3n2)cc1 49001653 QIPDYLHFYOWPAN-UHFFFAOYSA-N 443.891 3.782 0 40 IHAB O=C(CNC(=O)c1ccc(Cl)cc1Cl)NC[C@H]1CCCN(Cc2ccccc2)C1 58061237 IELAHPHDLYBRAB-QGZVFWFLSA-N 434.367 3.752 0 40 IHAB COc1cc([C@@H]2CC(=O)N(c3ccc(F)cc3)c3c2sc(=O)n3C)cc2c1OCO2 66089788 UBIFNTSFWNUHPJ-AWEZNQCLSA-N 428.441 3.524 0 40 IHAB O=C(Nc1nc2c(s1)CN(C(=O)c1cc(-c3ccc(F)cc3)n[nH]1)CC2)c1ccco1 70638471 GMWWITGWQMZQPE-UHFFFAOYSA-N 437.456 3.716 0 40 IHAB Cc1nc(Cn2c(C)nc3ccccc3c2=O)cc(NCCOc2ccc(C)c(C)c2)n1 72373337 KYMFYHHCOYQBRQ-UHFFFAOYSA-N 429.524 3.959 0 40 IHAB Cc1cc(C)nc(-n2nc(C)c(CC(=O)NCCc3csc(-c4ccccc4)n3)c2C)n1 89600723 FCUIAIIBFSUEAR-UHFFFAOYSA-N 446.580 3.921 0 40 IHAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N2CC[C@@H](N(C)Cc3noc(C4CC4)n3)C2)c1 95457980 SFDOVMSGUQQGEW-PKOBYXMFSA-N 426.561 3.879 0 40 IHAB CN(Cc1nc(-c2ccco2)no1)[C@H]1CCCC[C@H]1N(C)Cc1nc(-c2ccco2)no1 95995926 UKXAOQPVDFDUKY-IYBDPMFKSA-N 438.488 3.848 0 40 IHAB O=C(COc1ccc(Cl)cc1)N1CCC(Oc2ncccc2Br)CC1 96096951 FAENQYPDSXTHDH-UHFFFAOYSA-N 425.710 3.946 0 40 IHAB O=C(/N=c1\c2ccccc2[nH]c(=O)n1C[C@H]1CCCO1)Nc1ccc(Cl)c(Cl)c1 101113786 CMMPFKKEKADNSP-NZZMRGDMSA-N 433.295 3.948 0 40 IHAB O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CC[C@@H](S(=O)(=O)Cc2ccco2)C1 206693348 OTNIETMIQUOTOM-LJQANCHMSA-N 436.489 3.917 0 40 IHAB COc1ccc(CCNS(=O)(=O)c2ccc(NCc3ccccc3)c(C(=O)O)c2)cc1 217619486 OFIRRHPZDUNQJA-UHFFFAOYSA-N 440.521 3.527 0 40 IHAB CCOc1ccc(CNC(=O)[C@@H](CC)N(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 220721734 GAIULYRCBDSPML-LJQANCHMSA-N 438.977 3.908 0 40 IHAB Cc1cc(C)cc(OCCNC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)c1 224070472 QNBKFWLPNFWJPF-UHFFFAOYSA-N 438.549 3.937 0 40 IHAB COc1ccc(CN(C(=O)COc2ccc(C)c(C)c2)[C@@H](C)C(=O)NCC(C)C)cc1 224471870 WVKCEUODYSUHJB-FQEVSTJZSA-N 426.557 3.880 0 40 IHAB CSc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(Br)c(C)c2)cc1 225156390 LNIYAQJDOQOKIW-UHFFFAOYSA-N 443.388 3.739 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)COc3ccc(C)c(C)c3)CC2)cc1 225483107 ISVWFSCXKCTCIG-HXUWFJFHSA-N 444.597 3.596 0 40 IHAB CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C 225554105 KZOSMHJIQLLUAY-DHIUTWEWSA-N 433.581 3.984 0 40 IHAB COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(C)o1 225659212 XEUIQUDSTMPLHI-YADHBBJMSA-N 436.537 3.993 0 40 IHAB O=C(Cc1cccc(C(F)(F)F)c1)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1 225821742 COPMJEQIFAJHOI-UHFFFAOYSA-N 445.441 3.708 0 40 IHAB O=C(Nc1ccc2sncc2c1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 226072706 GRUPDCQHGPLABR-UHFFFAOYSA-N 435.958 3.989 0 40 IHAB Cc1ccc(Oc2cccc([C@@H]3CN(C(=O)c4cccc(-n5cnnc5)c4)CCO3)n2)cc1 257219863 DINVDRNDXAGIGY-QHCPKHFHSA-N 441.491 3.977 0 40 IHAB CCCNC(=O)CCc1c(C)nc2cc([C@H]3CCCN3Cc3cccc(C)n3)nn2c1C 257284378 PCLGAIQQOBDGOK-HSZRJFAPSA-N 434.588 3.845 0 40 IHAB CC1CCN(c2cc(N3CCCC[C@H]3C)nc(NC(=S)NC[C@H]3CCCO3)n2)CC1 260710303 GOOLMJVGLRPQTK-QZTJIDSGSA-N 432.638 3.557 0 40 IHAB C[C@H]1C[C@@H]1C(=O)Nc1nn(Cc2ccccc2)c2nnc(-c3ccc4c(c3)OCO4)cc12 306132380 LGYZZSRGVKSFGF-YOEHRIQHSA-N 427.464 3.865 0 40 IHAB Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)ccc1N1C(=O)[C@@H]2CCCC[C@H]2C1=O 408639392 FZESWTWOKVFQFU-DUXKGJEZSA-N 446.503 3.633 0 40 IHAB O=C(Nc1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 408970062 ZOXLVLBWSBMEDA-UHFFFAOYSA-N 441.322 3.628 0 40 IHAB Cc1cc(C)c(C)c(-c2c3c(nc4c2c(=O)n(C)c(=O)n4C)-c2ccccc2[C@H]3O)c1C 408983495 KRXUZAXBZWLKIQ-HSZRJFAPSA-N 427.504 3.595 0 40 IHAB COc1ccc([C@H]2[C@@H](NC(=O)c3cccc(C)c3)C(=O)N/[N+]2=C\c2ccccc2Cl)cc1 409073811 TWTRGMAVPQFQHH-WSBKAMHLSA-O 448.930 3.673 0 40 IHAB Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)NC1CCCCCC1 409390102 JJSHEHMVFLXEPS-UHFFFAOYSA-N 430.570 3.691 0 40 IHAB C[C@@H]1C[C@@H](N2CCOCC2)CN1c1nc(-c2cccnc2)nc2sc3c(c12)CCCC3 520442239 STPCUSPMWPFIHZ-SJLPKXTDSA-N 435.597 3.932 0 40 IHAB Cc1nn(CCNC(=O)[C@H]2CC(=O)N(c3cccc(F)c3)C2)c(C)c1-c1ccsc1 575612508 GCHQUICCPZKTFU-KRWDZBQOSA-N 426.517 3.537 0 40 IHAB CCOc1ccccc1OC[C@H](O)CN(C)Cc1cccc(OCCN2CCCCC2)c1 585270641 AKURVLJRGGRXEI-HSZRJFAPSA-N 442.600 3.822 0 40 IHAB O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 678993392 IKQNFXNDIBZNQX-INIZCTEOSA-N 439.364 3.695 0 40 IHAB CCCCCOc1ccc(/C=c2/sc3nc(-c4cccnc4)nn3c2=O)cc1OCC 2370236 GVHYDBKCJRNCLQ-XSFVSMFZSA-N 436.537 3.728 0 40 IHAB COc1ccccc1-n1c(SCC(=O)NCc2ccccc2)nc2ccccc2c1=O 2662000 NMHRDSXOGMMRPA-UHFFFAOYSA-N 431.517 3.803 0 40 IHAB COCCn1c(SCC(=O)Nc2ccc(F)cc2)nc2c(oc3ccccc32)c1=O 2713519 FBTDEQSNMRXHTE-UHFFFAOYSA-N 427.457 3.659 0 40 IHAB O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)Nc1ccc2c(c1)CCC2 3401497 UZYMFUROZHMMPN-UHFFFAOYSA-N 425.488 3.609 0 40 IHAB COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)NC2CCCCC2)c(OC)c1 5151500 BCONHDFCOSPNHQ-GPUOULLFSA-N 430.589 3.821 0 40 IHAB O=C1c2[nH]nc(-c3ccccc3O)c2[C@@H](c2cccc(OCc3ccccc3)c2)N1CCO 8606581 FBZWOXAVQVJGPI-RUZDIDTESA-N 441.487 3.899 0 40 IHAB aggregator CSc1ncc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)n1 8612007 HOABQTBDOCOPBP-UHFFFAOYSA-N 440.978 3.525 0 40 IHAB CN(C)c1ccc(NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@H](C(C)(C)C)C4)cc1 8613808 KPCWKAQLONBFIH-AWEZNQCLSA-N 439.585 3.709 0 40 IHAB O=C(Nc1nc(-c2ccccc2)cs1)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 8965510 NWZKWVZQVHFCJL-KRWDZBQOSA-N 443.550 3.520 0 40 IHAB C[C@@]1(c2ccccc2Cl)NC(=O)N(Cc2cc3c(cc2Br)OCO3)C1=O 8985749 LQSXHEFCUGRWSA-SFHVURJKSA-N 437.677 3.798 0 40 IHAB Cc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc1 9011231 AAUDELCLIATAHQ-HNNXBMFYSA-N 432.432 3.568 0 40 IHAB Cn1cccc1C(=O)NC(=O)CSc1nnc(Cc2cccs2)n1C1CCCCC1 9056143 KLZRXHHZJPIHRO-UHFFFAOYSA-N 443.598 3.823 0 40 IHAB COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)[C@H](C)N(C(C)=O)c3cc(C)ccc32)S1 9086578 GJZPPRSSIHFLDU-JTQLQIEISA-N 449.575 3.826 0 40 IHAB CC(C)COC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(F)cc2)cc1 9094742 NRNXGFWVLVTVFA-UHFFFAOYSA-N 429.444 3.783 0 40 IHAB O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 9126707 OJIZKDRSZGBEAK-UHFFFAOYSA-N 449.536 3.755 0 40 IHAB Cc1cc(C)c(-c2n[nH]c3c2[C@H](c2ccc(Br)cc2)N(CCO)C3=O)c(O)c1 9184762 FJXORGSGFOXJLU-FQEVSTJZSA-N 442.313 3.699 0 40 IHAB CCn1c(CC(=O)Nc2ccc(C)cc2C)nnc1S[C@H](C)C(=O)Nc1nccs1 9264084 PMLRZKPHVGJFMS-CQSZACIVSA-N 444.586 3.672 0 40 IHAB Cc1ccnc(SCc2nc3cc(NC(=O)[C@H]4COc5ccccc5O4)ccc3n2C)n1 9420624 MDXKIIJMSXKUSE-HXUWFJFHSA-N 447.520 3.743 0 40 IHAB COc1ccc(/C=C2/SC(=O)N(CCC(=O)Nc3ccc4nccnc4c3)C2=O)cc1 9476639 ZQHVMSYOUPATAI-XDHOZWIPSA-N 434.477 3.704 0 40 IHAB O=C(CSc1nnc(NC(=O)Cc2cccc3ccccc23)s1)NCc1ccco1 9599884 UHMXOBLUKDNRSF-UHFFFAOYSA-N 438.534 3.874 0 40 IHAB COc1cc(OC)cc(C(=O)Nc2nc(-c3nnn(-c4ccc(F)cc4)c3C)ns2)c1 9638466 OEZINIDWDHUKTK-UHFFFAOYSA-N 440.460 3.503 0 40 IHAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)COc1ccccc1Cc1ccccc1 9712457 YXTQYBYLVKBDDW-UHFFFAOYSA-N 427.504 3.941 0 40 IHAB CCc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OC)cc3[N+](=O)[O-])C(O)=NC2=S)cc1 9973330 IMWIJFAJCBJHRY-OQLLNIDSSA-N 441.465 3.846 0 40 IHAB O=C(C[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)NCCc1ccc(Cl)cc1 11612835 NZFJKJYOYBQAHG-LJQANCHMSA-N 438.952 3.771 0 40 IHAB O=C(c1ccc(Cl)cc1)N(Cc1ccc(Br)o1)[C@@H]1CCS(=O)(=O)C1 11913833 CUPBQKNYJZVQCH-CYBMUJFWSA-N 432.723 3.525 0 40 IHAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)N1CCC(c2nc3ccccc3cc2C(N)=O)CC1 12241506 VKRINDDJNDGKNC-HSZRJFAPSA-N 447.535 3.906 0 40 IHAB Cc1ccc(OCC(=O)Nc2ccc3c(c2)NC(=O)CC3)c(-n2nc3ccccc3n2)c1 12447398 ZHPHSROSEZULJY-UHFFFAOYSA-N 427.464 3.631 0 40 IHAB CC[C@@H](NCC(=O)Nc1ccccc1N1CCOCC1)c1ccc(Br)cc1 12555192 VXMKRJJJQOLCNT-GOSISDBHSA-N 432.362 3.965 0 40 IHAB Cc1c(C(=O)O[C@H](C)c2nc3ccccc3c(=O)[nH]2)cnn1-c1ccc(C(F)(F)F)cn1 12558149 KTPFLEXXBRPHPS-GFCCVEGCSA-N 443.385 3.749 0 40 IHAB CN(C)[C@@H](CNC(=O)CCn1c(S)nnc1-c1cccs1)c1ccccc1Cl 12730703 QBCNLKLFELCTDR-HNNXBMFYSA-N 436.006 3.758 0 40 IHAB C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccn(C)c2)CC1)c1ccc(Cl)cc1Cl 12763375 KYYWVYHNEHXFOM-ZDUSSCGKSA-N 444.384 3.610 0 40 IHAB CCN(CC)[C@H](CNC(=O)[C@H]1CS[C@@]2(c3ccccc3)CCC(=O)N12)c1ccccc1 12819558 MVVOTBFHYVHETH-TZBSWOFLSA-N 437.609 3.777 0 40 IHAB CCCCN(C(=O)CN1CCc2sccc2[C@@H]1c1ccccc1)[C@H]1CCS(=O)(=O)C1 12932288 KRDLTYWHHFIDEY-CVDCTZTESA-N 446.638 3.511 0 40 IHAB CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)COc1cccc(C(F)(F)F)c1 13010076 PLJAXMYGSGGYHK-UHFFFAOYSA-N 428.838 3.903 0 40 IHAB O=S(=O)(Nc1ccc2nc(N3CCOCC3)sc2c1)c1ccc2c(c1)CCCC2 13128377 VJZHJMZWZDRVGO-UHFFFAOYSA-N 429.567 3.813 0 40 IHAB CCCCN(C(=O)CNC(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1ccc(F)cc1 13506584 NQMBBAANGIIRJY-QFIPXVFZSA-N 443.519 3.577 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)Oc3ccc(C(C)(C)C)cc3)CC2)cc1 13674726 YZLHQIZVAVMXBT-LJQANCHMSA-N 444.597 3.593 0 40 IHAB O=C(COc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1)NCCCn1ccnc1 13731040 BEPKGYBQNPAPEW-UHFFFAOYSA-N 437.883 3.895 0 40 IHAB Cc1ccc(SCCNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc1 14803706 HXVWXGWMDWUCHB-UHFFFAOYSA-N 439.002 3.955 0 40 IHAB O=C(NC[C@H](c1cccnc1)N1CCc2ccccc2C1)C(=O)Nc1ccccc1Cl 15882593 OLJPIJJQTKGIOK-JOCHJYFZSA-N 434.927 3.589 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COc1ccc(Cl)cc1 15892778 JAMTVSQIEVACMB-UHFFFAOYSA-N 438.933 3.541 0 40 IHAB COc1cc2nc(S)n3nc(COc4ccccc4Br)nc3c2cc1OC 15974158 SYRSWGKLEFOOKP-UHFFFAOYSA-N 447.314 3.925 0 40 IHAB CCc1nnc2c(NCCN3CCN(c4cccc(Cl)c4)CC3)nc3ccccc3n12 16162636 OHQMXJQXBRHZCK-UHFFFAOYSA-N 435.963 3.727 0 40 IHAB CCOc1ccc(C(=O)NC(=S)Nc2ccc3c(c2)OCCO3)cc1Br 17101138 NLVIQBJONXJQOM-UHFFFAOYSA-N 437.315 3.746 0 40 IHAB CC(C)(C)C(=O)N1CCO[C@@](Cc2cccc(-c3cccc(F)c3)c2)(C(=O)NC2CC2)C1 19081463 IHDGXOCFYMECIV-AREMUKBSSA-N 438.543 3.958 0 40 IHAB Cc1ccc(CC(=O)N2CCC(c3n[nH]cc3C(=O)N3CCc4ccccc4C3)CC2)cc1 19209321 GLWMOPDCRKFHJY-UHFFFAOYSA-N 442.563 3.865 0 40 IHAB Clc1ccc([C@H](c2nnnn2C2CCCC2)N2CCN(Cc3ccncc3)CC2)cc1 19332611 SONAJNQDRUOQHK-JOCHJYFZSA-N 437.979 3.744 0 40 IHAB COc1ccccc1C1(O)CCN(Cc2cn(CC(=O)N3CCCC3)c3ccccc23)CC1 19569281 XZQMWOKHIZYOQA-UHFFFAOYSA-N 447.579 3.756 0 40 IHAB O=C(c1n[nH]c2c1CCC2)N1CCO[C@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 19693118 HNFOXHHKKGFKMP-KRWDZBQOSA-N 443.429 3.588 0 40 IHAB Cc1ncc(C(=O)N2CCCCC2)c([C@@H]2CCCCN2C(=O)c2cccc(N(C)C)c2)n1 19752078 DFEAVKDUWKJJFE-QFIPXVFZSA-N 435.572 3.845 0 40 IHAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccccc2)N1CCCN1CCOCC1 19882242 BNTWMTBPYPZMJE-NRFANRHFSA-N 438.911 3.714 0 40 IHAB COc1ccc(OCCOC(=O)c2ccccc2C(=O)c2ccc3c(c2)OCCO3)cc1 20866356 WNBORWQPXJOWTR-UHFFFAOYSA-N 434.444 3.933 0 40 IHAB COCCn1c(S[C@@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)nc2ccccc21 20980947 FWOTWWXUGRAQPW-IBGZPJMESA-N 438.597 3.508 0 40 IHAB Cn1ccnc1[C@H](NC(=O)CSc1nc(-c2ccc(Cl)cc2)n[nH]1)c1ccccc1 21444653 DRAMNMIHJQFVRA-GOSISDBHSA-N 438.944 3.857 0 40 IHAB CCN(Cc1ccc2c(c1)OCO2)C(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 21908332 WGZBPBCBFPNRDS-UHFFFAOYSA-N 427.460 3.777 0 40 IHAB O=C(c1ccc(CSc2ncn[nH]2)cc1)N1CCN(Cc2c(F)cccc2Cl)CC1 23873413 ZGGDMUUBEOXFRJ-UHFFFAOYSA-N 445.951 3.848 0 40 IHAB Cc1nc(NC[C@H]([C@@H]2CCOC2)N2CCOCC2)c2c(-c3cccs3)csc2n1 24204148 YCCYODKOGVYWTI-NVXWUHKLSA-N 430.599 3.877 0 40 IHAB O=C(Nc1c(F)cccc1F)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 24608617 UGAWWXWCUILOQI-UHFFFAOYSA-N 428.888 3.799 0 40 IHAB O=C(/C=C/c1cccnc1)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 25344236 QTPBUWORLWOTGK-MDWZMJQESA-N 439.581 3.676 0 40 IHAB Cc1noc2ncc(C(=O)N3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)cc12 30897928 GFCHSDMEYPCXIZ-UHFFFAOYSA-N 425.798 3.561 0 40 IHAB CN(C(=O)CSCC(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1)C1CCCCC1 32883056 XYIDOCVJTDMLQM-UHFFFAOYSA-N 437.993 3.930 0 40 IHAB CC(C)[C@H](CNc1nc(CN2CCOCC2)nc2sc3c(c12)CC[C@H](C)C3)N(C)C 32902993 XKTAKTCJWOTUKI-WMZOPIPTSA-N 431.650 3.646 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)oc4cc(C)c(Cl)cc34)CC2)cc1 33361117 OSGQEBDUPJNHHV-UHFFFAOYSA-N 446.956 3.570 0 40 IHAB COC(=O)CN1C(=O)N/C(=C/c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)C1=O 33388742 PRNKZOLDHFDUGI-YBFXNURJSA-N 437.883 3.717 0 40 IHAB O=C(CN1CCC[C@@H](c2nc3ccccc3s2)C1)N[C@H]1CCN(Cc2ccccc2)C1 36477422 ZVTHZKNSRZHPIO-RTWAWAEBSA-N 434.609 3.866 0 40 IHAB COc1cccc(-c2cc(C(=O)NC[C@H](C)Cn3nccc3C)c3c(C)nn(C)c3n2)c1 36616070 YXCCNXSFPPRCEA-HNNXBMFYSA-N 432.528 3.523 0 40 IHAB Cc1cc(-c2cc(C(=O)N(CC(=O)N(C)C)CC(F)(F)F)c3c(C)noc3n2)c(C)o1 48278563 YDILDYIAZZWWFA-UHFFFAOYSA-N 438.406 3.501 0 40 IHAB Cc1cccc(-c2noc(Cn3c(=O)n(-c4cccc(F)c4)c(=O)c4sccc43)n2)c1 48987028 VZMXDAIPFMPWPO-UHFFFAOYSA-N 434.452 3.760 0 40 IHAB Cc1cc(C)cc(Nc2nc(C)cc3nn(CC(=O)N(C)c4cccc(C)c4)c(=O)n23)c1 49410659 NWMHRYKZZHLNCW-UHFFFAOYSA-N 430.512 3.531 0 40 IHAB Cc1cccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)cc2)c1 57316288 JKVNASMPGAHTAI-UHFFFAOYSA-N 438.597 3.817 0 40 IHAB COc1cccc(NC(=O)Cn2c(=O)n(Cc3ccc(C)c(C)c3)c(=O)c3sccc32)c1 57426922 LDFKCRJUCDFAMJ-UHFFFAOYSA-N 449.532 3.537 0 40 IHAB CN(C(=O)Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21)c1cccc(Cl)c1 57428926 VTCOZUCSDXKKMO-UHFFFAOYSA-N 425.897 3.530 0 40 IHAB CN(C)CCN(Cc1ccccc1)C(=O)Nc1ccc(-n2cncn2)cc1C(F)(F)F 58133543 KDGKACJDBHICSK-UHFFFAOYSA-N 432.450 3.882 0 40 IHAB CCN(CC)C[C@H](C)NC(=O)Nc1ccc(C)c(NC(=O)N[C@H](C)CN(CC)CC)c1 58162688 SLBIOVTZRCSDQC-RBUKOAKNSA-N 434.629 3.699 0 40 IHAB CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1ccnc(OCC(F)(F)F)c1 58218328 RBXHXPSVXAVVTP-HNAYVOBHSA-N 449.473 3.639 0 40 IHAB CCc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@@H]3CC(c4ccc(Cl)s4)=NO3)c2)n1 58414422 ALDBEZULMYILQT-HNNXBMFYSA-N 428.901 3.846 0 40 IHAB COc1cc(NC(=O)Cn2nc(-c3ccc4ccccc4c3)ccc2=O)cc(OC)c1OC 61717930 UVGPDIQBCOBPOE-UHFFFAOYSA-N 445.475 3.728 0 40 IHAB COc1ccc(NC(=O)CN2CCC[C@@H](c3ccnc(Nc4ncccc4C)n3)C2)cc1 72377590 FYBPSHLNTSDECW-GOSISDBHSA-N 432.528 3.750 0 40 IHAB Cc1ccc(N2C(=O)C[C@H](N3O[C@@](O)(c4ccccc4)C[C@H]3c3ccccc3)C2=O)cc1 100899127 MCNZCLWFSJUCRG-JCYRPKCISA-N 428.488 3.851 0 40 IHAB COc1ccc([C@@H]2[C@H]3C(=O)N(C(C)C)C(=O)[C@@H]3ON2c2ccc(Cl)cc2)c(OC)c1 102864368 XHTNFIDJTKVFET-VAMGGRTRSA-N 430.888 3.612 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N[C@@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 103012761 BDPRFUKBHXABTC-XFKSJGNHSA-N 434.602 3.814 0 40 IHAB COc1ccc(S(=O)(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)cc1N1CCCC1=O 219229065 XCTMAPDWWIPGRS-GOSISDBHSA-N 444.553 3.711 0 40 IHAB Cc1ccc(Oc2ccc(NC(=O)CN3C(=O)[C@@H]4[C@@H]5C=C[C@H]([C@@H]6C[C@H]56)[C@H]4C3=O)cc2)cc1 222433489 HDGXAMFZBUFNBI-BLLLPLFDSA-N 428.488 3.779 0 40 IHAB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(Cc2ccco2)c1C 223644444 KGSJSEGKLABAGJ-FCHUYYIVSA-N 438.553 3.677 0 40 IHAB Cc1ccc(OCCNC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1C 224056989 JLOVQJBLRAPPJL-UHFFFAOYSA-N 432.586 3.562 0 40 IHAB COc1ccc(OC)c([C@H](C)NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)c1 224232890 YNUKSOQGQRFLRU-INIZCTEOSA-N 440.521 3.996 0 40 IHAB COc1ccccc1[C@H](C)NC(=O)[C@@H](C)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 224647084 BONJCBHINVXBFX-UONOGXRCSA-N 444.475 3.746 0 40 IHAB COc1ccc(OCC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC2CCCC2)cc1 224672626 XBYIADNGKPGWMG-KRWDZBQOSA-N 428.504 3.689 0 40 IHAB Cn1nc2cc(Br)ccc2c1C(=O)N[C@H](c1cccnc1)C1CCOCC1 225620097 IIPBKBFJLPLLBI-SFHVURJKSA-N 429.318 3.629 0 40 IHAB O=C(CSc1nc2ccccc2s1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 225727499 YEEKBFWIIFNXRG-UHFFFAOYSA-N 439.488 3.546 0 40 IHAB CCCCCOc1ccc(NC(=O)[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]3OC(C)(C)O[C@@H]23)cc1 229810058 KOTQDXOXUNHJPR-DRJBRKBZSA-N 435.517 3.591 0 40 IHAB COc1ccc(C(=O)N2CCC3(CC2)CO[C@H]([C@@]2(C)CC[C@@H](C(C)(C)O)O2)C3)cc1F 257200148 ACESOCIMNNBSKY-SXWKCWPCSA-N 435.536 3.554 0 40 IHAB CC(=O)Nc1ccc(C(=O)N2CCNC(=O)[C@H]2Cc2ccccc2-c2ccc(F)cc2)cc1 257223232 DWLNFDMAMDLISE-XMMPIXPASA-N 445.494 3.634 0 40 IHAB CC(C)[C@@H]1C[C@@]2(CO[C@H]1c1ccc(F)cc1)CN(C(=O)CCCc1cn[nH]c1)CCO2 257237243 HFSLSBYTCRVMCF-XWGVYQGASA-N 429.536 3.903 0 40 IHAB Cc1ccc2[nH]nc(C(=O)N3CCO[C@H](c4cc(CCOc5ccccc5F)[nH]n4)C3)c2c1 257245891 IRNLIZFOVRKCOB-QFIPXVFZSA-N 449.486 3.569 0 40 IHAB Cc1cc2ccccc2n1CCC(=O)N1CCO[C@@H](c2cccc(Nc3cnccn3)n2)C1 257312216 UMXIIJBZYKIEHH-JOCHJYFZSA-N 442.523 3.869 0 40 IHAB COc1ccc(C(=O)N2CCN(C)[C@@H](c3ccccc3OC)C2)cc1NCc1cccnc1 257332832 XYWQRJYFUSDKGU-HSZRJFAPSA-N 446.551 3.840 0 40 IHAB CCc1ccc(N([C@@H](C)C(=O)N[C@H](CC)c2ccc(OC)c(C)c2)S(C)(=O)=O)cc1 260761909 FAWRPBVGZNRFMI-LAUBAEHRSA-N 432.586 3.988 0 40 IHAB COc1ccc(OC)c(NC(=O)c2ccccc2N2C(=O)[C@@H]3[C@@H]4C[C@H](C=C4C)[C@H]3C2=O)c1 408673749 UUTNWCFUAJDMSU-KIXAIZAISA-N 432.476 3.658 0 40 IHAB CCc1sc2nc(SCC(=O)N3CCOCC3)n(-c3ccc(C)cc3)c(=O)c2c1C 409120523 WRIATJWLYONDTB-UHFFFAOYSA-N 443.594 3.577 0 40 IHAB CCn1c(SCC(=O)Nc2cccc(F)c2C)nnc1[C@@H](C)NC(=O)c1ccccc1 409130358 HNNRPELCUURXSN-OAHLLOKOSA-N 441.532 3.967 0 40 IHAB CC(=O)c1ccc(-c2ccc(/C=C3/NC(=O)N(CC(=O)Nc4ccccc4F)C3=O)o2)cc1 409216304 GUKHITQHQJWKGC-UDWIEESQSA-N 447.422 3.820 0 40 IHAB COc1cc(Cl)cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c1O 409235854 CPEFECBFDRGKQM-GIDUJCDVSA-N 436.848 3.868 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCC(C)C)c1ccc(C)c(C)c1 409388452 INCVCUCQUAULDQ-UHFFFAOYSA-N 432.586 3.978 0 40 IHAB O=C(Cc1ccccc1)N1CCO[C@@]2(C1)C(=O)N(Cc1cccs1)C[C@H]2c1ccccc1 585107550 ZNWLOBURLYRCBS-JYFHCDHNSA-N 446.572 3.714 0 40 IHAB COc1ccc2c(=O)c(C(=O)N3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@@H]56)[C@@H]43)c[nH]c2c1 604404362 CVCGWCIVYITPEF-BYIOMEFUSA-N 433.552 3.572 0 40 IHAB biogenic Cc1cc(Cl)ccc1N(CC(=O)NCc1ccccn1)S(=O)(=O)c1ccccc1 829811 NEUZQCSKKOFMSY-UHFFFAOYSA-N 429.929 3.555 0 40 IHAB COc1ccc(OC)c(NC(=O)CSc2nc3sc4c(c3c(=O)n2C)CCCC4)c1 877590 ONOGRRLWLFBNOS-UHFFFAOYSA-N 445.566 3.622 0 40 IHAB COc1cc(OC)c(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(OC)c1 1008257 VWYQLYQPYXYFOY-ODLFYWEKSA-N 442.493 3.696 0 40 IHAB O=C(CCCSc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 2660849 MWPPVKNVHFWVOE-UHFFFAOYSA-N 428.539 3.788 0 40 IHAB CCc1nnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)s1 3241555 NQQTZCOLNDKKPE-UHFFFAOYSA-N 428.967 3.571 0 40 IHAB CCN(c1ccc(NC(=O)CSc2nnc(-c3ccccc3OC)n2N)cc1)C(C)C 3373016 VKZLGNWQAPPPFG-UHFFFAOYSA-N 440.573 3.633 0 40 IHAB C[C@@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)C1=O 3519344 CEUPEPLFCFCJLC-NVQXNPDNSA-N 427.504 3.801 0 40 IHAB CCOc1ccc(NC(=S)N(CCCO)Cc2cc3cc(C)ccc3[nH]c2=O)cc1 4126979 VOKIWTYWTRGEAI-UHFFFAOYSA-N 425.554 3.817 0 40 IHAB C[C@H](NC(=O)NC(=O)N(C1CCCCC1)S(C)(=O)=O)C12CC3CC(CC(C3)C1)C2 5445401 XGUZWURWQNRJTP-HILYYZTDSA-N 425.595 3.605 0 40 IHAB COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2Cc2cccnc2)cc1 6245151 GGXQRACLEHLKEV-QFIPXVFZSA-N 444.491 3.765 0 40 IHAB Cc1c(O[C@H](C)C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)ccc2c3c(c(=O)oc12)CCC3 6825128 ANYNUAYZGOSFKZ-BFIDETRKSA-N 425.525 3.511 0 40 IHAB biogenic CC(C)CCC[C@@H](C)NC(=O)COC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 8525806 DEJLHXZQYVMAOT-QGZVFWFLSA-N 427.545 3.611 0 40 IHAB CCOC(=O)c1cnn(-c2ccccc2)c1-n1cccc1C(=O)C(=O)Nc1ccccc1 8773044 BSISAFFCJNZIIA-UHFFFAOYSA-N 428.448 3.661 0 40 IHAB Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccco3)C(=S)NC[C@H]3CCCO3)cc2c1 8829219 NGKSORYRQGHIND-LJQANCHMSA-N 425.554 3.794 0 40 IHAB CCCNC(=O)[C@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccc(OC)c(Cl)c1 9238717 VGIBQERBPUDXEA-MSOLQXFVSA-N 443.960 3.892 0 40 IHAB COc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H]3C(=O)NCc2ccc(F)cc2)cc1 9301322 DNXXCGRKBNLCMA-KRWDZBQOSA-N 425.485 3.889 0 40 IHAB COC(=O)c1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2cccnc2)N2N=CNC2=N3)cc1 9309808 XVQRXKPXDKBDBP-GOTSBHOMSA-N 437.459 3.672 0 40 IHAB COc1ccccc1NCCN[C@@H](CC(=O)Nc1ccc(Oc2ccccc2)cc1)C(=O)O 9326576 WJQKYOQZBFVQSZ-QFIPXVFZSA-N 449.507 3.971 0 40 IHAB CCN1CCc2c(sc(NC(=O)COc3ccc(Cl)cc3Cl)c2C(N)=O)C1 9390608 SQLWMMRNXDRVSA-UHFFFAOYSA-N 428.341 3.549 0 40 IHAB CCNC(=O)NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2OC)n1-c1ccc(C)cc1 9632063 HDBLYXFTJJBEON-OAHLLOKOSA-N 439.541 3.578 0 40 IHAB COc1ccc(C(=O)Nc2cc(C)nn2-c2ncnc3c2cnn3-c2ccccc2)cc1 9661082 MSFWEKWFUCZPMT-UHFFFAOYSA-N 425.452 3.571 0 40 IHAB C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)NCc2ccc(Cl)cc2Cl)C1=O 9664567 COAJSFPTFPAHHY-IBGZPJMESA-N 440.714 3.730 0 40 IHAB O=C(CCc1c[nH]c2ccccc12)OCc1cc(=O)n2cc(Br)ccc2n1 9882978 UICLYCVFUIFMEW-UHFFFAOYSA-N 426.270 3.614 0 40 IHAB COC(=O)c1cc(NC(=O)COc2ccc(Cl)cc2Cl)ccc1N1CCOCC1 9907763 APNOAZXEMBOYFA-UHFFFAOYSA-N 439.295 3.634 0 40 IHAB O=C(Cn1nc2c(cc1=O)CCCC2)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 9991831 CZCUPPWWXYWJQU-FQEVSTJZSA-N 436.899 3.746 0 40 IHAB COC(=O)[C@@H](CC(C)C)NC(=O)C[C@H](C)CC(=O)Nc1cccc(Br)c1 10038557 QIXAMARBBVHFKX-CZUORRHYSA-N 427.339 3.508 0 40 IHAB COc1ccc(N(CCCC(=O)Nc2ccc(F)cc2F)S(C)(=O)=O)cc1Cl 10333008 JUNSDKJBSNQNCO-UHFFFAOYSA-N 432.876 3.812 0 40 IHAB CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c(C)c1 10447216 MXGYAWDDZLJPLW-UHFFFAOYSA-N 444.553 3.907 0 40 IHAB CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1nc2cc3c(cc2s1)OCCO3 11751562 KEAFODRXIJHECG-DJJJIMSYSA-N 425.510 3.851 0 40 IHAB Cc1cccnc1[C@@H](Cc1ccsc1)NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C 12229710 DMTBRMFJDVETAO-MRXNPFEDSA-N 445.591 3.627 0 40 IHAB O=C(c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)N(Cc1cccnc1)C1CC1 12558264 LPYUIHRYBTZIAH-UHFFFAOYSA-N 433.533 3.638 0 40 IHAB O=C(NC[C@@H](c1cccs1)N1CCCC1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 12788255 JTOCNQCCJCSHKZ-FQEVSTJZSA-N 449.532 3.704 0 40 IHAB Cc1ccc(C)c(-n2c(S[C@@H](C)c3nc(N)nc(N(C)C)n3)nc3ccccc3c2=O)c1 12887822 SDCCPNHYLQGTSM-HNNXBMFYSA-N 447.568 3.689 0 40 IHAB C[C@@H](c1nc2ccccc2s1)N1CCN(C(=O)c2ccc(N3CCCC3=O)cc2)CC1 12914779 HWTDEEASCBYOCR-KRWDZBQOSA-N 434.565 3.942 0 40 IHAB Cc1ccc(C(=O)Nc2ccc(C(=O)NCCNC(=O)c3ccc(F)c(F)c3)cc2)cc1 13854975 DKRSOFDCCULORZ-UHFFFAOYSA-N 437.446 3.685 0 40 IHAB O=C(COCC(=O)N1CCc2ccccc2C1)Nc1ccc(OCc2ccccc2)cc1 13942229 WWBSFRQEBNQFSE-UHFFFAOYSA-N 430.504 3.806 0 40 IHAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)Cn2cnc3ccccc3c2=O)cc1 14128775 PSFOWHQLUUTPFX-DEOSSOPVSA-N 438.487 3.783 0 40 IHAB COc1cc(C[C@@H]2c3cc(OC)c(OC)cc3CCN2C)c(NC(=O)C2CC2)cc1OC 15080994 FGXCKOUCYZVLBG-HXUWFJFHSA-N 440.540 3.841 0 40 IHAB O=C(c1cc2ccccc2o1)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 15932122 AYFBOGQRIRSQEL-UHFFFAOYSA-N 438.427 3.598 0 40 IHAB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2cc(=O)[nH]c3ccccc23)c1 16046043 YAJVEGJTWLMIIU-UHFFFAOYSA-N 433.489 3.606 0 40 IHAB COc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2cc(C)ccc2C)cc(OC)c1OC 17014689 CPGPITOWQUKMRU-FQEVSTJZSA-N 441.553 3.761 0 40 IHAB CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)N1CCN(c2ncccn2)CC1 17299180 RUBMNYLTEQXULD-KRWDZBQOSA-N 441.885 3.934 0 40 IHAB COCC(=O)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2cnc(-c3ccccc3C)nc2)C1 19237551 WYWPOPFFKUAXBD-PXDATVDWSA-N 445.567 3.563 0 40 IHAB COc1cccc(CC(=O)NCCn2ncc(-c3ccc(Cl)cc3)c2-c2nccn2C)c1 19291766 NHJLYOXBTLNEDA-UHFFFAOYSA-N 449.942 3.972 0 40 IHAB COc1cccc(-c2cc(-c3cccnc3)nn2CCNC(=O)c2cnn(C(C)C)c2)c1 19454970 XSBYCODWXLWJLE-UHFFFAOYSA-N 430.512 3.828 0 40 IHAB CCNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CCCN(C(=O)Cc2ccccn2)C1 19528542 GLIUIXILGATZBL-HHHXNRCGSA-N 442.563 3.674 0 40 IHAB CN(CCOc1ccccc1)Cc1c(C2CCN(C(=O)C3CCC3)CC2)[nH]c2nccnc12 19586162 XDRDYNHLPAZJDU-UHFFFAOYSA-N 447.583 3.975 0 40 IHAB Cc1cnc(C(=O)N2CCC[C@@H](c3nc(C)c4c(n3)N(Cc3ccccc3)CCC4)C2)cn1 19706558 DNSTWCSKKQXBAF-OAQYLSRUSA-N 442.567 3.856 0 40 IHAB CCn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)NCC(F)(F)F 20819445 ICOXVHLDOJOIJO-UHFFFAOYSA-N 447.533 3.971 0 40 IHAB CCc1ccc(N2C[C@@H](C(=O)N[C@H](c3ccc(Cl)cc3)c3nccn3C)CC2=O)cc1 21600984 RHMWNJIFCCSWJF-PGRDOPGGSA-N 436.943 3.895 0 40 IHAB CCN(Cc1ccccc1)C(=O)[C@H](C)Sc1nnc([C@H]2COc3ccccc3O2)n1C 22083374 HXOYYRBPOHEXLS-OXJNMPFZSA-N 438.553 3.857 0 40 IHAB CCN(CC)C(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl 22246350 WVGXISARQOFRFA-QGZVFWFLSA-N 429.369 3.751 0 40 IHAB O=S(=O)(NC[C@H](c1cccc2ccccc12)N1CCOCC1)c1ccc(Cl)cc1 23108192 CXBFPVWBCLCPGH-JOCHJYFZSA-N 430.957 3.845 0 40 IHAB COCCN(Cc1nnc(-c2cccs2)o1)Cc1cc(=O)oc2cc(OC)ccc12 25407481 CWJPYIRHPZTQHN-UHFFFAOYSA-N 427.482 3.562 0 40 IHAB O=C(NCCSCc1ccc(Br)s1)C1CCN(C(=O)C2CC2)CC1 30513607 MGAGXCMITIKLML-UHFFFAOYSA-N 431.421 3.509 0 40 IHAB COc1ccc(C2=NN(C(=O)c3ccccc3Br)[C@@](O)(C(F)(F)F)C2)cc1 32100963 BLQWHNURKJKHAW-KRWDZBQOSA-N 443.219 3.959 0 40 IHAB Cc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCN(C(=O)C(C)C)CC2)cc1C 32126264 RLCDKVHFXURVIM-UHFFFAOYSA-N 438.597 3.735 0 40 IHAB O=C(CSc1nnc(-c2cccnc2)o1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 32559088 QPDDATZNCGMYRV-KRWDZBQOSA-N 438.509 3.749 0 40 IHAB O=C(NCCCOC1CCCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 32895958 NGRUIEYCOUDHKN-KRWDZBQOSA-N 443.009 3.596 0 40 IHAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](c2nnc(Cc3ccccc3)s2)C1 36705261 KMGXQEXMLUEZRV-INIZCTEOSA-N 447.557 3.845 0 40 IHAB COc1ccc(-c2cc3c4nnc(SCC(=O)Nc5ccccc5F)n4ccn3n2)cc1 38487015 UIWXDPBZDYTZKZ-UHFFFAOYSA-N 448.483 3.923 0 40 IHAB CCc1ccc([C@@H](C)NC(=O)CN2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1 40149618 LHKGYABLQQHGOD-APWZRJJASA-N 428.964 3.825 0 40 IHAB Cc1ccc(OC(=O)CSc2nc(-c3ccc(Cl)cc3)nc3cc(=O)[nH]n23)cc1 41078210 YZUCRRBCUAHJMT-UHFFFAOYSA-N 426.885 3.744 0 40 IHAB O=C(C1=NN(Cc2cccc(Cl)c2)c2ccccc2S1(=O)=O)N1CCCCCC1 49402590 XAARUZVXCDPKSY-UHFFFAOYSA-N 431.945 3.850 0 40 IHAB COc1cccc(CN(c2ccc(C)c(F)c2)S(=O)(=O)c2ccc3nncn3c2)c1 49408651 FLKZTFOTMXSOBL-UHFFFAOYSA-N 426.473 3.581 0 40 IHAB COc1cc([C@H]2CC(=O)N(c3ccccc3)c3c2sc(=O)n3C)cc(OC)c1OC 49546421 GAGDOJAIZIQFAF-OAHLLOKOSA-N 426.494 3.673 0 40 IHAB CC(C)CC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(F)cc3)cc2)CC1 57316525 IGAQGSQZOUIEEU-UHFFFAOYSA-N 442.560 3.647 0 40 IHAB CCCS(=O)(=O)Nc1cccc(NC(=O)CCc2c(C)nc(SC)nc2C)c1C 58441406 QIHBPQBXVMGMAW-UHFFFAOYSA-N 436.603 3.847 0 40 IHAB Cc1cccc(N2CCN(C[C@H]3C(=O)O[C@@H]4CC5=CCC[C@@H](C)[C@@]5(C)[C@H](O)[C@H]34)CC2)c1C 61992862 IYVNGAUMUARQSV-YRSZQZSGSA-N 438.612 3.710 0 40 IHAB COc1ccc(OC)c(-c2csc3ncc(C(=O)Nc4cccc(C(C)=O)c4)c(=O)n23)c1 64788077 XTWVOFFDLUTTIT-UHFFFAOYSA-N 449.488 3.895 0 40 IHAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)CNC(=O)c1cccs1)CC2 72277288 XETZNWXOCGNDMB-OAQYLSRUSA-N 442.562 3.731 0 40 IHAB Cc1cccc(C)c1NC(=O)CN(C)S(=O)(=O)Cc1ccc(Br)cc1F 72318878 RGUPCGMZLYYGIV-UHFFFAOYSA-N 443.338 3.605 0 40 IHAB CCN1CCN(C(=O)c2cc(C(C)(C)C)n[nH]2)[C@H](Cc2ccccc2-c2ccncc2)C1=O 72351339 YHMLYMXPAJWPQF-JOCHJYFZSA-N 445.567 3.685 0 40 IHAB Cc1nc([C@H]2CCCN2C(=O)COc2ccccc2)nc2c1CCCN2Cc1ccccn1 72373835 YFKOPILHZMUXMO-HSZRJFAPSA-N 443.551 3.875 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(c3nc(-c4ccc(C)s4)no3)CC2)cc1F 80344580 RQWGAQNTUAPIEX-UHFFFAOYSA-N 437.518 3.823 0 40 IHAB CN(C(=O)/C=C/c1ccc(S(=O)(=O)NC2CC2)cc1)c1ncc(-c2ccccc2)s1 95440437 RIKGCZTXXRTLPJ-NTEUORMPSA-N 439.562 3.927 0 40 IHAB CS(=O)(=O)c1ccc(-c2nc(COC(=O)CCSc3ccccn3)cs2)cc1 95964936 IJRLVUSHPCKGIJ-UHFFFAOYSA-N 434.564 3.834 0 40 IHAB CC(=O)C[C@H]1COCCN1C(=O)/C=C/c1cn(Cc2ccccc2)nc1-c1ccccc1 96011969 RBUIGFWIAJZHTH-BYUVYSIJSA-N 429.520 3.818 0 40 IHAB CC1(C)C[C@@H](n2nc(O)c3c2NC(=O)CS[C@@H]3c2cc(F)c(F)c(F)c2)CCO1 96116740 IOSIRUUPLUAGQV-MGPLVRAMSA-N 427.448 3.911 0 40 IHAB COc1ccccc1OCCCNC(=O)[C@H]1C[C@@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2N1 100118010 BZYGWHMVYBXXEH-BVFWVQIHSA-N 449.551 3.568 0 40 IHAB COc1ccc(C(=O)COc2ccccc2N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]54)[C@H]3C2=O)cc1 101881895 KZYGSDRQJMDQRQ-IQGQFZDZSA-N 429.472 3.514 0 40 IHAB CC[C@H](NC(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O)c1ccc(C)cc1 113965446 ISDLALFNMDBOHO-FQEVSTJZSA-N 446.569 3.580 0 40 IHAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccn(C3CCCCC3)c2)N1CCN1CCOCC1 223163018 URRRCUHBDFATKO-GOTSBHOMSA-N 439.629 3.693 0 40 IHAB CC[C@H](NC(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O)c1ccc(OC)c(C)c1 223306408 XHOWTDBOXFRSAN-NRFANRHFSA-N 448.585 3.826 0 40 IHAB Cc1ccc(N(CC(=O)NCCOc2ccccc2C(C)(C)C)S(C)(=O)=O)cc1C 223678121 ZHJASFAWTPFQBM-UHFFFAOYSA-N 432.586 3.562 0 40 IHAB CCOC(=O)c1cccc(N(CC(=O)OC)S(=O)(=O)c2ccc3ccccc3c2)c1C 225065844 VXCLXMVZUIORLH-UHFFFAOYSA-N 441.505 3.693 0 40 IHAB Cc1nc(-c2cccc(NC(=O)CN(Cc3ccc(F)cc3)S(C)(=O)=O)c2)cs1 226060543 NVXYSPFSAOKFKQ-UHFFFAOYSA-N 433.530 3.658 0 40 IHAB CC(=O)NCCCCCC(=O)N1CCC[C@@H]2O[C@@H]3c4cccc(O)c4OC(C)(C)[C@H]3C[C@@H]21 257223284 DWQXWKOTRZNRJP-QQURRQIPSA-N 444.572 3.697 0 40 IHAB Cc1noc(C)c1S(=O)(=O)N1CC[C@H](c2c(C(=O)NC(C)C)sc3ccccc23)C1 257261229 LGGTXRHCUZGKLN-HNNXBMFYSA-N 447.582 3.823 0 40 IHAB O=C(C1CCN(Cc2ccc(F)cc2)CC1)N1CC[C@]2(C1)CN(c1ccccc1)C(=O)O2 257337042 YRCYUVINNDHKSK-VWLOTQADSA-N 437.515 3.666 0 40 IHAB CCOc1ccc(N(CCCC(=O)N[C@H](C)COc2ccc(C)cc2)S(C)(=O)=O)cc1 260511955 TXDNLKKWFBGIMD-LJQANCHMSA-N 448.585 3.524 0 40 IHAB COc1ccc(CNC(=S)Nc2nc(N3CCCC3)cc(N3CCCC[C@H]3C)n2)cc1 260717719 PGZODXUXQAABKB-QGZVFWFLSA-N 440.617 3.951 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 408629752 HJGYQRFWGUBHPM-UHFFFAOYSA-N 432.542 3.665 0 40 IHAB Cc1cc(C)cc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@@H](C)C=CC[C@H]4C3=O)cc2)c1 408665756 QFDMQLKDDQWWPI-LXBDKUERSA-N 446.503 3.801 0 40 IHAB Cc1cccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)c1C 408671937 YKVAZPQCUPTPQC-PMACEKPBSA-N 432.476 3.555 0 40 IHAB CCCN1C(=O)N/C(=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)c(Cl)c2)C1=O 409251791 WGMREZFPSRCIKD-GZTJUZNOSA-N 431.851 3.799 0 40 IHAB COc1ccc(CCOc2c(OC)cccc2[C@@H]2CC(=O)Oc3cc(C)n(C)c(=O)c32)cc1 524731397 VYOANKYOYLEXAS-FQEVSTJZSA-N 449.503 3.773 0 40 IHAB biogenic O=C(NCC1(c2ccc(Cl)cc2)CCOCC1)c1ccccc1CN1CCOCC1 607055890 YYTRMROGPVHFEN-UHFFFAOYSA-N 428.960 3.650 0 40 IHAB C[C@]1(c2ccccc2)CN(C(=O)N[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CCO1 1565195551 CAGJLDHBFKWYKP-DENIHFKCSA-N 447.457 3.768 0 40 IHAB O=C(CC1(CN2Cc3ccccc3C2=O)CCCCC1)NCCCc1nnc2ccccn12 1565524338 JEYBOZALRRCHKA-UHFFFAOYSA-N 445.567 3.775 0 40 IHAB COc1cc(/C=C2/N=C(c3cccc(Br)c3)OC2=O)cc(OC)c1OC(C)=O 2302747 LXCDRVPKLSZWDW-VIZOYTHASA-N 446.253 3.736 0 40 IHAB CCOC(=O)c1cc(NC(=O)CSc2ncnc3sccc23)cc(C(=O)OCC)c1 2679512 KBMQROAZYWWGOF-UHFFFAOYSA-N 445.522 3.776 0 40 IHAB O=C(NC1(C(F)(F)F)Oc2ccccc2O1)N1CCN(c2cccc(Cl)c2)CC1 2725309 TZIWMWACNZPQMF-UHFFFAOYSA-N 427.810 3.859 0 40 IHAB COc1cc(Cl)c(C)cc1NC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 3319754 MPOYKGSYOWFTDI-UHFFFAOYSA-N 428.963 3.684 0 40 IHAB CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)N(C)Cc3cccnc3)c2)cc1 6244081 LBUOHCDBRRBFIO-UHFFFAOYSA-N 425.510 3.553 0 40 IHAB CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(NCc2ccco2)s1 8684502 BAULUFGGBVACRA-UHFFFAOYSA-N 440.568 3.673 0 40 IHAB Cc1c(C)c2c(OCC(=O)N[C@@H](CC(C)C)C(=O)O)cc3c(c2oc1=O)CCC(C)(C)O3 8877085 MPCYARBWROXLLB-INIZCTEOSA-N 445.512 3.508 0 40 IHAB biogenic Cc1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(OC(=O)c4ccco4)cc3)CC2=O)cc1 8927293 NAXIBLFHKLKRKL-SFHVURJKSA-N 447.443 3.586 0 40 IHAB CCc1ccc(-n2c(-c3ccc(Cl)cc3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1 9015221 GCBIEVLFMAVMCK-UHFFFAOYSA-N 433.899 3.558 0 40 IHAB Cn1c(=O)n(C)c2cc(/C=C3/SC(=O)N(Cc4ccc(F)cc4Cl)C3=O)ccc21 9233397 IEUMLMFUNMRDSC-CAOOACKPSA-N 431.876 3.906 0 40 IHAB CC1=Nc2ccccc2N=C(NC(=O)CSc2nnnn2C)[C@@H]1c1ccc(Cl)cc1 9306387 UIERIAHGPKTDPU-SFHVURJKSA-N 439.932 3.692 0 40 IHAB O=C(NCCCN1CCCC1=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 9501396 YMZCUYNBTMGJGM-UHFFFAOYSA-N 436.943 3.994 0 40 IHAB O=C(CNC(c1ccccc1)c1ccccc1)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1 9548741 AZYYLCPCCHWGES-QHCPKHFHSA-N 440.609 3.714 0 40 IHAB O=C(Cc1csc(NC(=O)c2ccc3c(c2)OCO3)n1)NCCc1c[nH]c2ccccc12 9659347 PQGPXRRESRXGTM-UHFFFAOYSA-N 448.504 3.507 0 40 IHAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCc3ccccc3)cc2)cc1C 9668827 YANPDTNFRZZQOJ-UHFFFAOYSA-N 438.549 3.842 0 40 IHAB C[C@H](Oc1ccc(F)cc1)c1nnc(S[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)o1 9729851 QIPWWGMFDTYGJO-QWHCGFSZSA-N 445.472 3.874 0 40 IHAB CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)Cc1coc2cc3c(cc12)CCC3 10998694 KCTCSNIQFPHCOO-UHFFFAOYSA-N 440.565 3.608 0 40 IHAB CC1CCN(CCCNC(=O)[C@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)CC1 11714143 FDGZQTQTONOWBN-LJQANCHMSA-N 428.404 3.986 0 40 IHAB O=C(c1cccnc1)N1CCCc2cc(NS(=O)(=O)Cc3ccc(F)cc3)ccc21 11906483 FWWARSHKOXFZOB-UHFFFAOYSA-N 425.485 3.756 0 40 IHAB COc1cccc([C@@H](C(=O)NC(C)(C)C)N(Cc2ccccc2)C(=O)c2csnn2)c1 12638694 XHYYBAARHGYSNJ-FQEVSTJZSA-N 438.553 3.845 0 40 IHAB Cn1c(-c2ccc(Cl)cc2)nn(CN2CCN(C(=O)c3ccccc3)CC2)c1=S 12853339 CMDOCSPFMTURNL-UHFFFAOYSA-N 427.961 3.687 0 40 IHAB CCOc1ccc(OCC)c(NC(=O)COc2ccc(/C=C/C(=O)OC)cc2OC)c1 12872148 LBNGJAWSIQMWIG-XYOKQWHBSA-N 429.469 3.696 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CNC(=O)c1ccc(C(F)(F)F)cc1 12948317 SRLBJLQHENIMIC-UHFFFAOYSA-N 444.457 3.896 0 40 IHAB CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)N3c4ccccc4C[C@H]3C)cc2)cc1 12977794 BEHSPRUKZBUUAP-QGZVFWFLSA-N 448.544 3.959 0 40 IHAB O=C(CSc1nnc(N2CCCC2)n1C[C@@H]1CCCO1)C12CC3CC(CC(C3)C1)C2 12989189 LDERGTFDHHFIOF-HJGBXLFDSA-N 430.618 3.935 0 40 IHAB CC(=O)Nc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2C[C@@H]2CCCO2)cc1 13131251 PHPVLABXVGPEDB-SFHVURJKSA-N 437.521 3.509 0 40 IHAB COc1cccc(N2CCN([C@H](c3ccccc3)c3nnnn3Cc3cccs3)CC2)c1 13505233 XYACORUAWDUYJA-HSZRJFAPSA-N 446.580 3.703 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCC[C@H](C)C2)c2ccc(C)cc2)cc1 13670790 UMNKKJBGNYJETE-IBGZPJMESA-N 430.570 3.848 0 40 IHAB COc1ccc(NC(=O)[C@H]2CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)cc1OC 13683827 GOQCHDAOKAGTKY-SFHVURJKSA-N 435.524 3.995 0 40 IHAB C[C@@H]1S[C@@]2(C(=O)Nc3ccccc32)N(c2ccc(C(=O)NCc3ccccc3)cc2)C1=O 16608212 GVQWJQUIHKMDJM-LMKMVOKYSA-N 443.528 3.890 0 40 IHAB CCCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCO)cc1OCC 16753634 QICMYJNIKPVGNO-QFIPXVFZSA-N 437.492 3.826 0 40 IHAB Cc1sc(N2C(=O)[C@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C2=O)c(C(N)=O)c1-c1ccc(C(C)(C)C)cc1 17102499 PVKHYBNHAYKHSF-MVJTYMMSSA-N 438.549 3.787 0 40 IHAB C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)c1cccs1 17842279 JKAVNVSJZADHAI-INIZCTEOSA-N 432.611 3.905 0 40 IHAB CCOc1ccccc1NC(=O)CN1C[C@@H](c2ccccc2F)[C@@]2(CCCCC(=O)N2)C1 19520218 QVGUDYHLBONKTG-UQBPGWFLSA-N 439.531 3.691 0 40 IHAB Cc1ccc(C(=O)N2CCN(c3ccc(NC(=S)NC(=O)c4ccco4)cc3)CC2)cc1 19647722 WOHATGBKUCMNAK-UHFFFAOYSA-N 448.548 3.677 0 40 IHAB O=C(Nc1nccs1)c1cc([C@@H]2CCN(C(=O)c3ccncc3)C2)nc2ccccc12 19754895 YJZDHHYCWHPAAU-MRXNPFEDSA-N 429.505 3.968 0 40 IHAB CN1CCN(C(=O)CSc2nc3ccc(NC(=O)c4ccc(F)cc4)cc3s2)CC1 19831910 PMZQSMQASADQHV-UHFFFAOYSA-N 444.557 3.554 0 40 IHAB COc1cc(OC)c(OC)cc1CN1CCN(Cc2ccc(Br)cc2)CC1 19900155 YFKFJTZUUWJECH-UHFFFAOYSA-N 435.362 3.793 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1Cl 20492786 FHUWBRMWZLBQJB-UHFFFAOYSA-N 438.933 3.538 0 40 IHAB COc1ccc(-c2[nH]nc3c2[C@H](c2ccc(O)c(OC)c2)N(c2cccnc2)C3=O)cc1 20733410 ZAUYYLKSQBAHGV-QHCPKHFHSA-N 428.448 3.944 0 40 IHAB O=C(c1ccc2[nH]nnc2c1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 22024147 GFWOBZRHELPXAM-UHFFFAOYSA-N 433.462 3.784 0 40 IHAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)c1cc(-c2ccco2)nn1-c1ccccc1 22321988 RROFTFBTWJFMSE-UHFFFAOYSA-N 431.477 3.703 0 40 IHAB CCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(C(=O)Nc4cccnc4)cc3)CC2=O)cc1 24897035 IKWZJVZGUSTKTP-SFHVURJKSA-N 444.491 3.724 0 40 IHAB Cc1ccc(CN2C[C@@H](C(=O)OCC(=O)Nc3ccc(Cl)cc3Cl)CC2=O)cc1 28609558 ACNODGYTGZNMME-HNNXBMFYSA-N 435.307 3.832 0 40 IHAB CSCC[C@@H](NC(=O)CCCn1cnc2ccccc2c1=O)c1nc2ccccc2[nH]1 30911525 STHSOSLLIVMYIU-HXUWFJFHSA-N 435.553 3.664 0 40 IHAB COc1ccccc1NC(=O)COC(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 32933270 FQIRPCBILXBOPX-CQSZACIVSA-N 437.418 3.507 0 40 IHAB CCOc1ccccc1-c1nc(Cn2nnc(C(=O)Nc3ccccc3F)c2N)c(C)o1 33291689 JSJYMTJIROYHGT-UHFFFAOYSA-N 436.447 3.662 0 40 IHAB CCn1c(SCC(=O)Nc2ccccc2F)nnc1[C@@H](C)NC(=O)c1ccccc1F 33518762 KBVHQLDUKKBMOU-CYBMUJFWSA-N 445.495 3.798 0 40 IHAB Cc1ccc(CNC(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2C)cc1 33532858 CSIGDXIBCTYKSU-UHFFFAOYSA-N 430.570 3.610 0 40 IHAB Cc1cc(C)cc(NC(=O)CSc2nnc([C@H](C)NC(=O)c3ccccc3F)n2C)c1 33671361 ZREHZHKUIPIXRM-HNNXBMFYSA-N 441.532 3.793 0 40 IHAB Cc1ccc(CN2C(=O)[C@H]3[C@@H](c4ccccc4)[C@H]4C=C[C@@]3(O4)[C@@H]2C(=O)NC2CCCC2)cc1 35290029 XCVNSRUWIFGCQF-RJKIJDSESA-N 442.559 3.872 0 40 IHAB O=C(NCc1ccccc1)[C@H](c1cccs1)N(Cc1cccnc1)C(=O)c1csnn1 35310897 JZTJHPYKVHXOHH-FQEVSTJZSA-N 449.561 3.695 0 40 IHAB COc1ccc(-c2cc(C(=O)N3CCN(Cc4ccncc4)CC3)c3c(C)noc3n2)cc1 36613822 XGDWYEDGLYMXKX-UHFFFAOYSA-N 443.507 3.560 0 40 IHAB COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)CCCc1nc2ccccc2s1 40040690 FQVQRIAUYLQWPH-UHFFFAOYSA-N 439.537 3.881 0 40 IHAB O=C1C[C@H](C(=O)Nc2ccc(Cl)cc2Cl)c2c(nc(Nc3ccccc3)[nH]c2=O)N1 40399211 NAIMOPKXTLGPHY-LBPRGKRZSA-N 444.278 3.885 0 40 IHAB COc1ccccc1-n1c(=O)c2sccc2n(CC(=O)Nc2cccc(C(C)C)c2)c1=O 57490908 HLDQUTBUAHQFCX-UHFFFAOYSA-N 449.532 3.985 0 40 IHAB CCN(Cc1cccc(NC(=O)[C@@H](OC[C@@H]2CCCO2)C(C)C)c1)C(=O)C(F)(F)F 58045085 JTCDXFQXWUIHQN-ROUUACIJSA-N 430.467 3.756 0 40 IHAB O=c1/c(=C\c2cccnc2)sc2n1[C@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 59337062 YEKNRAKUAMTRGE-MGSPXPDISA-N 439.515 3.853 0 40 IHAB CCCN(C(=O)c1ccc(C)c(NS(C)(=O)=O)c1)[C@H]1CCCN(Cc2ccccc2)C1 60347642 RUOBJZUOLFCWLP-QFIPXVFZSA-N 443.613 3.883 0 40 IHAB CC(C)c1ccc(N2C(=O)CN(CCc3ccc(Cl)cc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 63366633 STIBFMCYJADAHC-YADHBBJMSA-N 447.000 3.520 0 40 IHAB CCC[C@@H](C)NC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C)cc2)c2cc(Cl)ccc2O1 64986198 KEQTXUYEFOUTME-FOIQADDNSA-N 436.961 3.910 0 40 IHAB COc1ccc(-n2cc(C(=O)NC[C@@H]3CCCN4CCCC[C@H]34)c3ccccc3c2=O)cc1 79192949 WWOWQSHHGANKPM-UQBPGWFLSA-N 445.563 3.994 0 40 IHAB biogenic COc1ccc(-c2csc(NC(=O)COC(=O)/C=C/c3ccc(O)c(OC)c3)n2)cc1 89455321 ZQJQTTRLXLZJSY-ONNFQVAWSA-N 440.477 3.728 0 40 IHAB O=C(NCc1nn(C2CCCC2)c(=O)c2ccccc12)c1cc(-c2ccc(F)cc2)n[nH]1 90530714 DBPSUIWSLLLROI-UHFFFAOYSA-N 431.471 3.971 0 40 IHAB COC(=O)C[C@@H](c1cnn(C)c1)c1oc(CSc2ccccc2Cl)cc(=O)c1O 95474993 HZJVATAYCVUHNK-AWEZNQCLSA-N 434.901 3.720 0 40 IHAB Cn1c(=O)[nH]c2ncc(-c3cccc(C(=O)NCC4(N5CCCCC5)CCCCC4)c3)cc21 95945770 KLXKUUPTZDZYCY-UHFFFAOYSA-N 447.583 3.847 0 40 IHAB Cc1cc(=O)oc2cc(OCC(=O)NC(=O)N[C@H](C)[C@@H]3C[C@@H]4CC[C@@H]3C4)c(Cl)cc12 102321858 UJZVHULESKUUKL-KQTLUZQSSA-N 432.904 3.784 0 40 IHAB O=C(NCCc1ccc(OC(F)(F)F)cc1)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1 108393371 NZHOKSXVOVXFFI-WDSOQIARSA-N 434.462 3.872 0 40 IHAB COC(=O)c1ccc2c(-c3c(NS(C)(=O)=O)cc(C)c(OC)c3C)c(O)ccc2c1 169811046 TVIUPCPCFUNFMC-UHFFFAOYSA-N 429.494 3.996 0 40 IHAB CSc1cccc(N(CC(=O)NCCSc2ccc(Cl)cc2)S(C)(=O)=O)c1 220062311 MLSMQCUFCRSLIE-UHFFFAOYSA-N 445.031 3.736 0 40 IHAB CC[C@H](C(=O)N1CCC(Cc2ccccc2)CC1)N(c1ccc(OC)cc1)S(C)(=O)=O 220644616 ZFVILHOGMOPWOR-HSZRJFAPSA-N 444.597 3.721 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3c4ccccc4C[C@@H]3C)CC2)cc1C 222577975 VWQPUWCIYHWGOJ-SFHVURJKSA-N 442.581 3.772 0 40 IHAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2Cc2cccnc2)N1Cc1cccnc1 223454365 PVHKPIZKPZPVOL-XZOQPEGZSA-N 426.549 3.894 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)c(OC)c1 224532655 ZBJPQDLRVCRUMJ-UHFFFAOYSA-N 426.494 3.686 0 40 IHAB CC(C)Sc1nnc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)s1 225720260 GVWCXVDQTOTOMK-UHFFFAOYSA-N 430.602 3.797 0 40 IHAB CS(=O)(=O)N(CC(=O)NCCCc1ccccc1Cl)Cc1ccccc1Cl 225788663 ZRTQELCMCRBRKR-UHFFFAOYSA-N 429.369 3.504 0 40 IHAB Cc1cc(C)cc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)C(=O)c2ccccc2)c1 226399549 RFLOBBOLLYLZCN-JEYZWYLSSA-N 426.516 3.961 0 40 IHAB CCN(CC)S(=O)(=O)NC[C@H]1CC[C@H](c2c(C(=O)NC)sc3ccccc32)CC1 257216605 CVHYASKOUUUQLB-WKILWMFISA-N 437.631 3.711 0 40 IHAB Cc1nc2cc([C@@H]3CCCN3Cc3cccs3)nn2c(O)c1CCC(=O)N1CCCC1 257270764 MVOUSAYLIUGGLD-FQEVSTJZSA-N 439.585 3.697 0 40 IHAB C[C@H]1CCCN(c2cc(N3CCC[C@H](C)C3)nc(NC(=S)NCc3cccnc3)n2)C1 260723110 WVHBZDZRWKNJOE-ROUUACIJSA-N 439.633 3.831 0 40 IHAB COC(=O)c1cc(NC(=O)CSCc2c(F)cccc2Cl)cc(C(=O)OC)c1 408566443 ODSCCKWNFQQPKV-UHFFFAOYSA-N 425.865 3.924 0 40 IHAB CCc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4C[C@H](C)CC[C@H]4C3=O)c2)cc1 408662195 NHRSOLVBLQVZRY-HVETUWLQSA-N 448.519 3.970 0 40 IHAB Cc1ccccc1NC(=O)COc1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1 409007609 PTQRVOOJVGAPCO-HMAPJEAMSA-N 441.512 3.783 0 40 IHAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(Cl)cc2Cl)cc1 409197941 SHRJVGRZZMXKRJ-CYBMUJFWSA-N 445.368 3.765 0 40 IHAB COc1cc(CCC(=O)N2CCN(C)C(=O)[C@@H]2Cc2ccc(-c3ccc(C)cc3)cc2)on1 585168992 DBAHNXNTBCTMPO-QHCPKHFHSA-N 447.535 3.503 0 40 IHAB O=C1C[C@@H](C(=O)N2CCC[C@]3(C[C@@H](Oc4ccc(Cl)cc4)CO3)C2)c2ccccc2N1 585261724 BWCJXJRASVIUQF-FPGHNAPASA-N 440.927 3.995 0 40 IHAB Cc1ccc(C(=O)N2CCC3(CC2)[C@H](C(=O)N(C)C)c2ccccc2C(=O)N3C(C)C)cc1 1549167951 RZQGLJNDCUUTJR-QHCPKHFHSA-N 447.579 3.706 0 40 IHAB CO[C@@H]1CCCN2C(=O)c3cccc(c3)OCCN(Cc3cscn3)CCCC[C@H]12 2037978167 FDRMBFMUSLXLIQ-FGZHOGPDSA-N 429.586 3.828 0 40 IHAB CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccc(OCc3ccccc3)cc2)n2nnnc2N1 703576 GBYSHHBDZFBRMY-QFIPXVFZSA-N 439.479 3.575 0 40 IHAB COc1ccc2cc([C@@H](c3nnnn3C3CCCC3)N3CCc4ccccc43)c(=O)[nH]c2c1 1224829 PDIRMJHTRKKXSO-QHCPKHFHSA-N 442.523 3.790 0 40 IHAB CCCCn1c(SCCOc2ccccc2C(C)=O)nc2cc(S(N)(=O)=O)ccc21 6147809 MBPRZWOVRLTHSV-UHFFFAOYSA-N 447.582 3.858 0 40 IHAB COc1cccc(-c2csc(N3C[C@H](C(=O)OCC(=O)c4cccs4)CC3=O)n2)c1 8384328 CHGFXIQEWBOMEJ-CQSZACIVSA-N 442.518 3.659 0 40 IHAB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(O)c(OCC)c3)C2=O)cc1 8451763 LDLOOWKALYXVAH-XDHOZWIPSA-N 442.493 3.865 0 40 IHAB COc1cc2c(cc1OC)[C@H](c1cc(Br)c(O)c(OC)c1)[C@H]1C(=O)OC[C@@H]1C2 8655142 YHYWCWAKWGMRSK-NXXSPTCGSA-N 449.297 3.658 0 40 IHAB Cc1cc2oc(C(=O)N(Cc3ccccc3)[C@H]3CCS(=O)(=O)C3)cc(=O)c2cc1Cl 8670717 OGENFRZTSJHHEV-INIZCTEOSA-N 445.924 3.584 0 40 IHAB O=C(CSc1nnc(CN2CCCC2)n1-c1ccccc1)N1CCCc2ccccc21 8723905 PRPCHIXDAMYJHU-UHFFFAOYSA-N 433.581 3.935 0 40 IHAB Cc1ccc(N/C(NCc2ccco2)=C2/C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc1 8777889 OMFOQKRIGVKLGP-DQRAZIAOSA-N 444.491 3.901 0 40 IHAB O=C(O)CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1 8824909 WOGPPHBOKXXXBF-UHFFFAOYSA-N 430.526 3.740 0 40 IHAB Cc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3ccc(C)c(Cl)c3)n2C)c1 8959134 PTYDFRYZFDIEKV-UHFFFAOYSA-N 443.960 3.746 0 40 IHAB Cc1ccc(Cn2c(=O)c3c(nc4n3C[C@@H](C)CN4c3ccc(C)c(C)c3)n(C)c2=O)cc1 9159345 RLSBGWVMLJYXAS-KRWDZBQOSA-N 443.551 3.658 0 40 IHAB CC(C)(C)c1ccc(OCC(=O)N(Cc2ccc(F)cc2)[C@H]2CCS(=O)(=O)C2)cc1 9184947 WYNFSGMLPGCVNH-FQEVSTJZSA-N 433.545 3.718 0 40 IHAB COc1ccc2nc(-c3ccccc3)cc(C(=O)OCC(=O)N3C[C@H](C)O[C@H](C)C3)c2c1 9352852 VOANQIUDSSRLQH-CALCHBBNSA-N 434.492 3.703 0 40 IHAB Cc1c(-c2ccccc2)oc2c(C(=O)OCC(=O)NC(=O)NC3CCCC3)cccc2c1=O 9544980 GONYFUKFLKLYGD-UHFFFAOYSA-N 448.475 3.694 0 40 IHAB CC(C)N(C(=O)CSc1ccc(S(=O)(=O)N2CCCCC2)cn1)c1ccccc1 9723442 HGSOTNSNRLLURC-UHFFFAOYSA-N 433.599 3.790 0 40 IHAB COc1ccccc1-c1noc(CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)n1 9795578 AXIWUYCIWXQICH-DEOSSOPVSA-N 428.448 3.866 0 40 IHAB Cc1cc(C)n(-c2nc3c(c(=O)n2CC(=O)Nc2ccc(C)c(Cl)c2)CCCC3)n1 9828827 BOQVKUURFFQLIS-UHFFFAOYSA-N 425.920 3.525 0 40 IHAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1cc(-c2ccco2)nc2ccccc12 9898474 BFBFNCLLFDHSSS-UHFFFAOYSA-N 435.505 3.675 0 40 IHAB CCOC(=O)N1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc4c(c3)OCO4)=NN12 10213880 KDUKUBUAZZQGFU-LJQANCHMSA-N 435.480 3.907 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCCCCC1)c1cccc(C)c1 10301100 MYDFFHAVXDSIGN-UHFFFAOYSA-N 430.570 3.910 0 40 IHAB C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCC(NC(=O)c2ccccc2)CC1 10777241 HDRXYLAWRZLDMH-HNNXBMFYSA-N 431.330 3.637 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](c3ccccc3)C3CC3)CC2)c(C)c1 11214459 CZFAEVSRBPSBIF-QHCPKHFHSA-N 426.582 3.972 0 40 IHAB O=C(CN(c1nccs1)S(=O)(=O)c1ccccc1)Nc1ccc(N2CCCC2)cc1 12522061 VVMQUQGAYVYXIH-UHFFFAOYSA-N 442.566 3.577 0 40 IHAB CC(=O)Nc1cccc([C@@H](C)NC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)c1 12545865 RLBOFCBVLFXTET-OAHLLOKOSA-N 426.492 3.580 0 40 IHAB CSc1ccc(NC(=O)CN2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)cc1 12555118 RMDHJXODPHAYKV-OAQYLSRUSA-N 425.554 3.627 0 40 IHAB O=c1[nH]c(=O)n(C2CC2)c2nc(C3CC3)nc(SCc3cc(-c4cccs4)on3)c12 12890188 YWDONOKLGKCGFQ-UHFFFAOYSA-N 439.522 3.701 0 40 IHAB Cc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c(C)c1 12905722 KCVXAKJFDOIYIN-UHFFFAOYSA-N 440.609 3.851 0 40 IHAB COCCOC(=O)C1=C(C)N(c2ccc(C(=O)O)cc2)C(=O)N[C@H]1c1ccccc1Cl 13073439 PWVVUZOQCFVNJG-IBGZPJMESA-N 444.871 3.773 0 40 IHAB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)C(C)(C)Oc1ccc(Cl)cc1 13097316 SUQBJEWSJYFLRR-UHFFFAOYSA-N 431.920 3.943 0 40 IHAB COc1ccc(NC(=O)Nc2cccc(-c3ccc(N4CCOCC4)nn3)c2)cc1OC 13611145 RJJXBGKAAOXSGC-UHFFFAOYSA-N 435.484 3.641 0 40 IHAB O=C(NC1CCCCCC1)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 14129031 MXHAVZSVHUWOTB-UHFFFAOYSA-N 432.508 3.945 0 40 IHAB COc1cc([C@H]2CC(O)=Nc3c2c(C)nn3-c2ccc(Cl)nn2)cc(OC)c1OC 15083827 RQUPTNLJPPVGSN-GFCCVEGCSA-N 429.864 3.774 0 40 IHAB COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c1 15132801 QTUFHNOHSJVPFJ-KRWDZBQOSA-N 446.569 3.678 0 40 IHAB Cc1cccc(OCCNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1 15398035 WBIYJRKMIWVPLG-UHFFFAOYSA-N 442.512 3.525 0 40 IHAB CC(=O)[C@@H]1[C@H](C(=O)c2ccco2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(F)ccc3N12 16007610 NLLYAYVSSXMHDM-NZCWTCFWSA-N 442.446 3.981 0 40 IHAB S=C(NNC(=S)Nc1ccccc1Cl)NNC(=S)Nc1ccccc1Cl 16450442 UXYSNJZKGKTGCX-UHFFFAOYSA-N 445.426 3.561 0 40 IHAB O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)Nc1ccccc1C(=O)O 16491446 ANLVKOOIBWTTBA-UHFFFAOYSA-N 444.896 3.872 0 40 IHAB COc1cccc(NC(=O)CN(C)C(=O)CCC(=O)c2ccc(Br)cc2)c1 17968994 FMQJFXURIWDMJH-UHFFFAOYSA-N 433.302 3.518 0 40 IHAB C[C@H](OC(=O)CCc1nc2ccccc2c(=O)n1C1CC1)C(=O)c1c[nH]c2ccccc12 18994913 ZJMQZLZFVOHXLZ-HNNXBMFYSA-N 429.476 3.960 0 40 IHAB COc1ccccc1C1(O)CCN(c2c(C)c(C)nc3cc(-c4cc(C)on4)nn23)CC1 19119568 DUSKGNCLVTZNOL-UHFFFAOYSA-N 433.512 3.806 0 40 IHAB CC(C)NC(=O)[C@]1(Cc2ccccc2-c2ccccc2F)CCN(C(=O)c2ccn(C)n2)C1 19449471 YCXNDIDSGQBIMH-SANMLTNESA-N 448.542 3.826 0 40 IHAB CN(C)C(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)Cc2cccnc2)C1 19579205 UWZVYOLFOBAFIB-HHHXNRCGSA-N 442.563 3.626 0 40 IHAB CCn1cc(-c2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c3ccccc3n2)c(C)n1 19638304 ODOPGBCHRHUZED-UHFFFAOYSA-N 443.507 3.618 0 40 IHAB Cc1nc([C@@H]2CCCN2Cc2cnn(C)c2)nc2c1CCC(=O)N2CCCc1ccccc1 19741853 AVBZNNYPLWNCAX-QHCPKHFHSA-N 444.583 3.768 0 40 IHAB COc1ccc([C@@H](C)NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 19933939 PHORBVOKLYPBRU-GFCCVEGCSA-N 431.341 3.645 0 40 IHAB Cc1ccc(C(=O)c2oc3ccc(Cl)cc3c2NC(=O)CN2CCN(C)CC2)cc1 20567596 XUVYXXBBGXJNKQ-UHFFFAOYSA-N 425.916 3.812 0 40 IHAB CN1CCN([C@H](c2ccc(Cl)cc2)c2sc3nc(-c4ccco4)nn3c2O)CC1 22798440 LIPMSUGRAFRPRI-MRXNPFEDSA-N 429.933 3.747 0 40 IHAB CCCCSCC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCCC1 23114219 NYVIQXZITFHHTM-UHFFFAOYSA-N 427.636 3.789 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCCN(C(C)C)C(C)C)c2)cc1 24979903 LCAVDIJFRDACCA-UHFFFAOYSA-N 447.601 3.653 0 40 IHAB O=C(Nc1ccc(OC[C@H](O)COCc2ccc3c(c2)OCO3)cc1)c1cccs1 27213914 SMCDHMPLSCUELL-QGZVFWFLSA-N 427.478 3.686 0 40 IHAB COc1ccc(-c2cc(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)no2)cc1 27663052 MBKRDCUWTARBNU-UHFFFAOYSA-N 429.479 3.616 0 40 IHAB CC[C@@]1(C)Cc2nc3sc4c(=O)n(CC(=O)Nc5ccccc5)cnc4c3cc2CO1 32069646 JTZDITGUNLTSGR-QHCPKHFHSA-N 434.521 3.886 0 40 IHAB O=C(CCN1CCSC1=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 32784686 KFOWXKUOGMYXFU-UHFFFAOYSA-N 445.535 3.757 0 40 IHAB O=S(=O)(c1ccc(N2CCOCC2)c(-c2nc3ccccc3o2)c1)N1CCCCC1 35325822 KLAGEBIAKIUJOT-UHFFFAOYSA-N 427.526 3.506 0 40 IHAB CC(C)COC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)[C@@H](C(=O)OCC(C)C)C(=O)C[C@]1(C)O 36006913 PCHLMRSRHSVUTR-GJPOJAMWSA-N 438.948 3.778 0 40 IHAB Cc1cc(C)cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2NCC(C)C)c1 40059944 PAKQJJJLYLLNRL-UHFFFAOYSA-N 445.585 3.645 0 40 IHAB O=C(CSCc1ccc(F)cc1)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 44901086 CAOSFHQFJAOGRB-UHFFFAOYSA-N 431.514 3.893 0 40 IHAB Cc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)NC1CCCCCC1 46027396 CHGOSZPZHLGVLI-UHFFFAOYSA-N 429.586 3.636 0 40 IHAB Cc1ccc(C2=NN(C(=O)CN3CCN(c4ccccc4O)CC3)[C@H](c3ccco3)C2)cc1 58170541 PEENFIRLTZUOAD-QHCPKHFHSA-N 444.535 3.794 0 40 IHAB O=C(NCCOc1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 59417464 QMTKCSFGMRYRCX-CYBMUJFWSA-N 437.721 3.651 0 40 IHAB CN(C)CCOc1ccccc1N1CCN(CCC(=O)Nc2ccc(Cl)cc2F)CC1 72308418 BLDHGVMSCWHDPZ-UHFFFAOYSA-N 448.970 3.570 0 40 IHAB COc1ccc(CC(=O)N2CCN(Cc3ccccc3)C[C@@H](Cc3ccccn3)C2)cc1 72355166 UGHFDYOCMIZTAB-XMMPIXPASA-N 429.564 3.836 0 40 IHAB Cc1nc2cc([C@@H]3CCN(C(=O)C(C)(C)C)C3)nn2c(C)c1CCC(=O)NC1CCCC1 72369605 ZBXYNXGOFKNXIN-GOSISDBHSA-N 439.604 3.700 0 40 IHAB CC(C)c1cc(C(F)(F)F)c2c([C@H]3CCCN(C(=O)[C@H](C)n4cncn4)C3)noc2n1 72390254 BOXPSPKIXWZYSH-STQMWFEESA-N 436.438 3.924 0 40 IHAB CCOC(=O)[C@@]1(Cc2cc(-c3cccc(F)c3)no2)CCCN(Cc2cncn2C)C1 72394027 AIOMZYOXBNKZHN-HSZRJFAPSA-N 426.492 3.602 0 40 IHAB COc1c(I)ccc(Br)c1I 98210663 AFYVNEXCQUDMLQ-UHFFFAOYSA-N 438.828 3.667 0 40 IHAB Cc1c(Cl)cccc1N(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O)C(=O)C(F)(F)F 100395324 UOFDCAXNIFHUFR-VELAGECUSA-N 438.833 3.554 0 40 IHAB Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1NC(=O)[C@@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)O 102298863 AERZNFQRFULWTE-NXOAAHMSSA-N 438.311 3.672 0 40 IHAB CN(c1cccc(NC(=O)COc2ccc(Br)cc2Cl)c1)S(C)(=O)=O 218943776 GCYOTIFKXSXQJJ-UHFFFAOYSA-N 447.738 3.516 0 40 IHAB COc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3cccc(Cl)c3)n2)c(OC)c1 219293548 GCOJIUGZJAGAHF-CYBMUJFWSA-N 431.876 3.833 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)c3ccc(F)cc3)C2)cc1C 222591150 KVNVEFKCWHNXPP-QGZVFWFLSA-N 434.533 3.597 0 40 IHAB COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1F 223731100 CMPNZPYEKOOWGT-VXKWHMMOSA-N 438.528 3.937 0 40 IHAB Cc1ccc(C)c(OCCNC(=O)[C@@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)c1 224006160 CEZGPUOTYBTNSW-QGZVFWFLSA-N 438.977 3.615 0 40 IHAB CC(C)(Cc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 224049478 BZITZMFHQQXIBJ-UHFFFAOYSA-N 434.989 3.878 0 40 IHAB CCOc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)Cc3ccccc3)cc2)cc1 224545607 PJXRCKMMJTUFRE-UHFFFAOYSA-N 446.550 3.828 0 40 IHAB CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)COc1ccc(Br)cc1 224620768 GBSCIMRROPIJJY-HXUWFJFHSA-N 447.373 3.814 0 40 IHAB O=C(Nc1ccc(N2CCCC2)cc1)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 224922338 OPFGPCPQVZMPQX-UHFFFAOYSA-N 445.560 3.606 0 40 IHAB O=C(Nc1ccccc1F)c1cc(C2CCN(C(=O)c3cc(-c4ccco4)n[nH]3)CC2)n[nH]1 225561261 JCXAFWJMYIOFIA-UHFFFAOYSA-N 448.458 3.804 0 40 IHAB Fc1ccc(CNC(=S)Nc2nc(Oc3ccccc3)cc(N3CCOCC3)n2)cc1 225947890 XJIBQWPFRQVLJA-UHFFFAOYSA-N 439.516 3.731 0 40 IHAB S=C(NCc1ccc2c(c1)OCO2)Nc1nc(Cl)cc(N2Cc3ccccc3C2)n1 226013911 RRKXCPFLPFYUFQ-UHFFFAOYSA-N 439.928 3.866 0 40 IHAB Cc1cccc(C(=O)N2CC[C@@H](c3cc4nc(C)c(CCC(=O)NC(C)C)c(C)n4n3)C2)c1 257223608 DYCJAOQJCQMIJM-OAQYLSRUSA-N 447.583 3.741 0 40 IHAB Cc1cc(-c2ccccc2)cc([C@H]2CCCN(C(=O)c3ccc(S(N)(=O)=O)cc3)C2)n1 257228108 FSHXLYIIOKMAND-FQEVSTJZSA-N 435.549 3.724 0 40 IHAB COCCn1c(C(C)C)nc2c1C1(CCN(Cc3cnn(C)c3)CC1)Oc1ccccc1-2 306133464 MMFHARQYDLGIQF-UHFFFAOYSA-N 435.572 3.937 0 40 IHAB CS(=O)(=O)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)Cc1ccc(F)cc1 408623352 QEZPFFSJGNKETF-UHFFFAOYSA-N 438.830 3.898 0 40 IHAB Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)c(C)c1 409156568 OVXUKVGFWFHIFZ-OAHLLOKOSA-N 445.313 3.601 0 40 IHAB COc1cccc(NC(=O)CN(c2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)c1 409380343 DIVKDUKKSWVNSP-UHFFFAOYSA-N 440.521 3.679 0 40 IHAB CCCCN1Cc2cccc(NS(=O)(=O)c3cc(C(=O)OCC)ccc3OC)c2C1 506614385 GRFFMVZJSAUYEB-UHFFFAOYSA-N 432.542 3.788 0 40 IHAB Cc1c(Cl)c(O)c(C/C=C(\CO)[C@H](O)C[C@]2(C)[C@H](C)CCC(=O)[C@@H]2C)c(O)c1C=O 514287893 HDMBFAOOJCPAHR-VPFGKCKRSA-N 438.948 3.726 0 40 IHAB biogenic,in-vitro COc1ccc([C@H](CNC(=O)COc2coc(C)cc2=O)c2c[nH]c3ccccc23)cc1 524735203 GCFQFYZLUNEXMN-FQEVSTJZSA-N 432.476 3.765 0 40 IHAB O=C(CC1(CC(=O)NC[C@@H]2Cc3ccccc3O2)CCCC1)NC[C@@H]1Cc2ccccc2O1 560841386 XGTRDCAFPIFCOZ-VXKWHMMOSA-N 448.563 3.567 0 40 IHAB COc1ccc(CN2CC3(CCN(C(=O)c4ccc5c(ccn5C)c4)CC3)CC2=O)cc1 1565554845 HBZRINVSCNVLHN-UHFFFAOYSA-N 431.536 3.842 0 40 IHAB CC(C)Cc1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)s1 3393236 LWHSCSQOOMYFSF-UHFFFAOYSA-N 430.555 3.814 0 40 IHAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)[C@@H](NS(=O)(=O)c1ccccc1)C(C)C 3399543 LYQWVSFHXRIEIT-KKSFZXQISA-N 442.537 3.594 0 40 IHAB CCCCNS(=O)(=O)c1ccc2[nH]c(SCC(=O)Nc3cc(C)cc(C)c3)nc2c1 8685533 MRWNCHDZDQEKMR-UHFFFAOYSA-N 446.598 3.989 0 40 IHAB O=C(COC(=O)CNC(=O)c1ccc(Cl)cc1Cl)Nc1ccccc1OC(F)F 8882251 NBMFXLAGCHSRDN-UHFFFAOYSA-N 447.221 3.507 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CNc2cccc(Cl)c2C)c1 9155677 HXKQZJXJOYCFRI-UHFFFAOYSA-N 439.965 3.738 0 40 IHAB COc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2cccnc2)N2NC=NC2=N3)cc1OC 9309768 CIKPGHUYVVGOQZ-DNQXCXABSA-N 439.475 3.903 0 40 IHAB CC(=O)c1ccc(N2C(SCCCc3ccccc3)=N[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 9411060 PDIMQPXDLBNESV-RTWAWAEBSA-N 428.579 3.597 0 40 IHAB O=C(COC(=O)Cn1c(C(F)(F)F)nc2ccccc21)Nc1ccc(OC(F)F)cc1 9540559 FWRXGTVIQQJBLR-UHFFFAOYSA-N 443.328 3.838 0 40 IHAB Cc1cc(C)n2c(SCC(=O)N3CCC[C@H](c4nc5ccccc5s4)C3)nnc2n1 9789345 JAOZHQSTGMXTRJ-HNNXBMFYSA-N 438.582 3.849 0 40 IHAB O=S(=O)(c1ccc(SCc2cc(Cl)c3c(c2)OCCCO3)nc1)N1CCCC1 9875275 GJOPCSPAPFBVDU-UHFFFAOYSA-N 440.974 3.973 0 40 IHAB COc1cccc(N2CCN(C(=O)C[C@H](NC(=O)c3ccccc3)c3ccccc3)CC2)c1 9950876 SMFLISLEWSRCDS-VWLOTQADSA-N 443.547 3.905 0 40 IHAB Cc1cccc(N2CCCn3c2nc2c3c(=O)n(C/C=C/c3ccccc3)c(=O)n2C)c1C 10104922 WJXZDUCNKIRLFN-MDWZMJQESA-N 441.535 3.769 0 40 IHAB COc1ccc(N(CCCC(=O)NCc2ccccc2Cl)S(C)(=O)=O)cc1Cl 10325070 BMBYBIDYZINDPL-UHFFFAOYSA-N 445.368 3.865 0 40 IHAB Cc1ccc(C)c(N([C@H](C)C(=O)Nc2ccc(Br)cc2)S(C)(=O)=O)c1 10331033 GPECBOHPVAAZPK-CQSZACIVSA-N 425.348 3.859 0 40 IHAB CN(CC(=O)NC1CC1)C(=O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1 11021400 ADIJYJIDCROQGE-UHFFFAOYSA-N 442.972 3.567 0 40 IHAB CCCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccccc3Cl)cc21 12180610 OXSCEWIHTVCSQT-UHFFFAOYSA-N 428.963 3.633 0 40 IHAB Cc1cc(C(F)(F)F)n2nc([C@H]3CCCN(C(=O)CCn4nc(C)c(C)c4C)C3)cc2n1 12257727 DCRJMNRGCXSJOR-KRWDZBQOSA-N 448.493 3.975 0 40 IHAB Cc1cc(-c2csc(NC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)n2)c(C)n1C 12697399 ZXORCAVZUVWZNF-UHFFFAOYSA-N 444.582 3.802 0 40 IHAB C[C@H](CCc1ccccc1)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)c(Cl)c2)C1=O 12767874 XOMQLDQNUHEJBY-PEBXRYMYSA-N 448.350 3.898 0 40 IHAB O=C(c1ccccc1)c1ccc(OCC(=O)N2CCC[C@@H](c3nnc4ccccn34)C2)cc1 12793828 LCSMKNPMUIALSG-OAQYLSRUSA-N 440.503 3.745 0 40 IHAB COC(=O)C1=C(C)N(c2ccc3c(c2)OCO3)C(=O)N[C@@H]1c1ccc(Br)cc1 12894488 BLKACTIZOSTUCM-GOSISDBHSA-N 445.269 3.896 0 40 IHAB CCCCC(=O)N1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C(C)(C)C)C4)CC1 13513524 VBYVODYOUGSUGY-MRXNPFEDSA-N 444.645 3.970 0 40 IHAB FC(F)(F)c1nc(N2CCN(C3CCCCC3)CC2)c2nnn(Cc3ccccc3)c2n1 13563762 WHWDNXDUXOSNDO-UHFFFAOYSA-N 445.493 3.743 0 40 IHAB COc1ccc2[nH]cc([C@@H]3C(NC(=O)c4ccc(Cl)cc4)=C(C)N=C4NC=NN43)c2c1 13570632 LJGGGOAAYAGOSO-HXUWFJFHSA-N 434.887 3.751 0 40 IHAB CN(Cc1ccc(OCC(=O)Nc2ccccc2Oc2ccccc2)cc1)S(C)(=O)=O 14397951 TYOGPENBQLORNE-UHFFFAOYSA-N 440.521 3.888 0 40 IHAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 14399239 WXJUVLRVLPKKRV-GOSISDBHSA-N 447.538 3.749 0 40 IHAB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)N1CCC(c2nc3ccccc3s2)CC1 15620205 ASNUHCKIBYDKIK-IRXDYDNUSA-N 425.554 3.568 0 40 IHAB Cc1ccc(OCC(=O)Nc2nc(-c3ccc(I)o3)ns2)cc1 15859959 OEPPZHZJKQNSCL-UHFFFAOYSA-N 441.250 3.729 0 40 IHAB COc1ccc(-c2ccc(OCCNC(=O)c3ccc(Br)cc3)nn2)cc1 15884375 DRLXDJOHVCRRMW-UHFFFAOYSA-N 428.286 3.724 0 40 IHAB COc1ccc(Cc2nn(CC(=O)Nc3cccc(F)c3)c(=S)n2-n2cccc2)cc1 16807238 GRTCFMXCIMYWLU-UHFFFAOYSA-N 437.500 3.904 0 40 IHAB Cc1cnccc1-c1cnc(N(C)C)nc1[C@H]1CCCN1C(=O)COc1ccccc1F 19239828 VUZXYZQETACIEW-HXUWFJFHSA-N 435.503 3.795 0 40 IHAB COc1ccc(CC(=O)N2CCC[C@H]2c2nc(N(C)C)ncc2-c2ccncc2)cc1F 19585293 VOQDQMWMMJSAHR-FQEVSTJZSA-N 435.503 3.659 0 40 IHAB Cc1c(C(=O)N2CC[C@@H](c3c(C(=O)NCCO)sc4ncccc34)C2)oc2ccccc12 19702238 ZWWDCVIHHKFIRC-OAHLLOKOSA-N 449.532 3.703 0 40 IHAB Cc1cccc(CN2CCO[C@H](c3c(C(=O)N4CCOCC4)sc4ncccc34)C2)c1 19703246 ILGLXRIPSYJBNX-FQEVSTJZSA-N 437.565 3.651 0 40 IHAB CCCOc1ccc(N2C(=O)C[C@H](NCCOC34CC5CC(CC(C5)C3)C4)C2=O)cc1 19848208 CDVAYEKBEIKJNT-KIZRYQFWSA-N 426.557 3.682 0 40 IHAB Cc1ccccc1CSCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 19868796 GCXQSUWNNUQOCN-QGZVFWFLSA-N 438.640 3.507 0 40 IHAB O=S(=O)(NCCc1csc(-c2ccccn2)n1)c1ccc(Br)s1 19942426 HVKDTAKPYVMJAC-UHFFFAOYSA-N 430.374 3.550 0 40 IHAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c1 20492669 OGSKUBICYBMNLB-KRWDZBQOSA-N 425.510 3.905 0 40 IHAB COC(=O)c1c(NC(=O)N2CCN(Cc3ccccc3)CC2)sc2c1CC(C)(C)OC2 20591107 MHGGXEYFBABQNV-UHFFFAOYSA-N 443.569 3.736 0 40 IHAB CCN1CCc2nc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)sc2C1 21296349 FVAXXJCKVCRORN-UHFFFAOYSA-N 442.566 3.574 0 40 IHAB COc1ccc(-c2noc(CN3CCN(C(=O)c4cc(F)c(F)cc4Cl)CC3)n2)cc1 22603911 TZAXKHLLRBAILL-UHFFFAOYSA-N 448.857 3.635 0 40 IHAB O=C(COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1ccc(F)cc1F 22715662 WWKXENNJOLFFAP-UHFFFAOYSA-N 443.372 3.777 0 40 IHAB C[C@H]1CN(c2ccc(C(=O)Nc3ccc(C(=O)Nc4cccnc4)cc3)cn2)C[C@@H](C)O1 24910212 PVDQSODYZVEVAY-CALCHBBNSA-N 431.496 3.595 0 40 IHAB C[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC1(c2ccc3c(c2)OCCO3)CCCC1 25045735 DKRSVHXOPGTPLV-GOSISDBHSA-N 438.524 3.701 0 40 IHAB COc1ccc(-c2nc(C(=O)N3CCN(C)c4nc5ccccc5nc43)cs2)cc1OC 25091746 RTGSHOBHFZMLOC-UHFFFAOYSA-N 447.520 3.867 0 40 IHAB CC(C)[C@@H](NC(=O)CN1CCN(C(=O)c2cccc(OC(F)F)c2)CC1)c1ccccc1 25272857 IOGDKJJIUCTLNR-JOCHJYFZSA-N 445.510 3.559 0 40 IHAB CCOC(=O)c1ccc(S(=O)(=O)N[C@H](C)c2ccccc2F)c(Br)c1 29940062 QOQWVJVMOXSXGT-LLVKDONJSA-N 430.295 3.804 0 40 IHAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)[C@@H]1CC(=O)N(c2ccc(SC)cc2)C1 31179085 ZJDBGXAKBSDXMN-CQSZACIVSA-N 447.507 3.527 0 40 IHAB CCCNC(=O)[C@H]1CN(S(=O)(=O)c2cc(Cl)sc2Cl)c2ccccc2O1 32550053 BGMACUVREHNKPL-GFCCVEGCSA-N 435.354 3.537 0 40 IHAB CCCc1nnc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)s1 32579413 XLFZCKZVTHNJPV-UHFFFAOYSA-N 437.554 3.864 0 40 IHAB CC(C)[C@@H](C)NC(=O)CSc1nc(CN2CCOCC2)nc2sc3c(c12)CCCC3 32670206 MEMVQXHMNQQBSN-OAHLLOKOSA-N 448.658 3.655 0 40 IHAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)c2c3c(nc4ccccc24)CCC3)CC1 32747606 UJNGCRHGNXFVMP-UHFFFAOYSA-N 443.503 3.943 0 40 IHAB C[C@H](C1CC1)N(C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br)C1CC1 32814635 TWXOBWDZTJTDFW-CYBMUJFWSA-N 441.391 3.637 0 40 IHAB Clc1cccc(N2CCN([C@@H](c3ccccc3)c3nnnn3Cc3ccco3)CC2)c1 35289949 XQNSNUKJPPYLLR-QFIPXVFZSA-N 434.931 3.879 0 40 IHAB COc1c(C(=O)N(C)C)cn(C)c1-c1nc2cc(NC(=O)c3cccc(F)c3)ccc2n1C 36370045 JWDFTZRERHICQE-UHFFFAOYSA-N 449.486 3.681 0 40 IHAB biogenic CN(C)[C@@H](CNC(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)c1ccsc1 40120905 PATDIKZLVLUMPJ-AEFFLSMTSA-N 439.503 3.535 0 40 IHAB O=C(Nc1nnc(COc2ccccc2)s1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 49550828 QZLCLGCVAAHDCP-CYBMUJFWSA-N 428.901 3.762 0 40 IHAB CC(C)C(=O)Nc1ccccc1-c1nnc(SCC(=O)N2CCc3ccccc32)nc1O 64774590 GNLKPGHXWHCMIX-UHFFFAOYSA-N 449.536 3.520 0 40 IHAB COC(=O)c1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2-c2ccccc2)cc1 67236843 XRAQOYGBYTVBQD-UHFFFAOYSA-N 448.504 3.540 0 40 IHAB CC(C)Cc1nnc(NC(=O)c2ccc(Cl)c(N3CCCCS3(=O)=O)c2)s1 71280937 CRJLTGLNCWBVTA-UHFFFAOYSA-N 428.967 3.572 0 40 IHAB FC(F)(F)c1ccc(N2CCCN(c3ccc4nnc(-c5ccccc5)n4n3)CC2)nc1 71817082 NKSDRIUQVZICIY-UHFFFAOYSA-N 439.445 3.922 0 40 IHAB COc1ccc(-c2cnc(N)nc2[C@H]2CCCN(C(=O)COc3ccc(F)cc3)C2)cc1 72346213 GEXMQSLDRFHZJQ-KRWDZBQOSA-N 436.487 3.659 0 40 IHAB CNC(=O)[C@@]1(Cc2cccc(-c3cccc(F)c3)c2)CCCN(C(=O)[C@H]2CCCCO2)C1 72391545 FGWOSEGBGOEFPO-ZEQKJWHPSA-N 438.543 3.959 0 40 IHAB CCC(=O)N1CCN(C(=O)/C=C/c2c(C)nn(Cc3ccc(Cl)cc3)c2Cl)CC1 78732778 OJWGKHQVJAFADF-CMDGGOBGSA-N 435.355 3.641 0 40 IHAB CC(C)c1ocnc1C(=O)Nc1ccc(-c2n[nH]c(CNC(=O)OC(C)(C)C)n2)cc1 78993820 JZZQQMITFDCDFP-UHFFFAOYSA-N 426.477 3.860 0 40 IHAB O=C(NCCCc1nc2ccccc2[nH]1)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 79489400 GSEAUGWXPCHLEM-UHFFFAOYSA-N 446.960 3.509 0 40 IHAB COc1ccccc1Cn1c(=O)[nH]c2cc(-c3nc(-c4ccc(C)cc4)no3)ccc2c1=O 85601902 FHKOEJQFTTUNCO-UHFFFAOYSA-N 440.459 3.772 0 40 IHAB Cc1ccccc1C(=O)NC1CCN(C(=O)c2nc(OCC3CC3)c3ccccc3n2)CC1 95468813 KXWAGQWFDLIAKK-UHFFFAOYSA-N 444.535 3.762 0 40 IHAB CCN(CC)C(=O)c1cncnc1[C@H]1CC[C@H](CNC(=O)Cc2cccc(OC)c2)CC1 100205736 IVLHMEIZLOXUHO-PUZFROQSSA-N 438.572 3.600 0 40 IHAB O=C(O)C12C[C@@H]3C[C@@H](C1)CC(n1ncc(NCCc4ccccc4)c(Cl)c1=O)(C3)C2 100292744 SQNYUQZVNJIZKC-PQJGELLGSA-N 427.932 3.931 0 40 IHAB CC(=O)c1cccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)C(=O)c2ccccc2)c1 100395600 MTRDJRREEWGBFT-NLCRGRMESA-N 440.499 3.547 0 40 IHAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1CN(C(=O)c1ccccc1Cl)c1ccccc1 100396503 QQWSKVWZFKXLED-RWWHDUHWSA-N 432.907 3.997 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(OC(C)C)cc3)CC2)cc1 198340493 KMHSEQAVZMURNY-UHFFFAOYSA-N 432.542 3.522 0 40 IHAB CC[C@@H](C(=O)Nc1ccccc1C(=O)NC(C)C)N(c1cc(C)ccc1C)S(C)(=O)=O 220541621 IYGNIBDRYDSZMQ-FQEVSTJZSA-N 445.585 3.625 0 40 IHAB CCOC(=O)c1cccc(NC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)c1C 222572775 PAFMQLIIIKIHST-UHFFFAOYSA-N 430.526 3.662 0 40 IHAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccn(C3CCCC3)c2)N1CCCN1CCOCC1 223205499 XKEQTNODISKDMT-DHIUTWEWSA-N 439.629 3.693 0 40 IHAB CC(C)(C)c1ccc(OCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1 223661337 CLIBUEQZIYZDMV-IBGZPJMESA-N 444.597 3.580 0 40 IHAB CN1CCN(c2ccc(NC(=S)NCC3(c4ccc(F)cc4)CCCC3)cn2)CC1 223983976 LKPMZOVWOQNEIT-UHFFFAOYSA-N 427.593 3.771 0 40 IHAB COc1ccc(S(=O)(=O)NC[C@@H](C)c2ccccc2)cc1C(=O)N1CCC(C)CC1 224164645 ATIBODIRKKPUNC-GOSISDBHSA-N 430.570 3.649 0 40 IHAB CN(c1ccc(C(=O)NC[C@@H]2CCCO2)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 224245606 ZHSJMIYTSZNCGW-HNNXBMFYSA-N 443.352 3.727 0 40 IHAB CCCSc1nnc(NC(=O)CCCN(c2cccc(C)c2)S(C)(=O)=O)s1 224608980 SQXAXYLPLUWXPU-UHFFFAOYSA-N 428.605 3.534 0 40 IHAB CS(=O)(=O)N(CC(=O)Nc1ccc2c3c(cccc13)CC2)Cc1ccccc1Cl 225200916 BRHRZXLNHDVWCU-UHFFFAOYSA-N 428.941 3.992 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)N2C[C@@H](C(=O)NCc3ccccc3)Oc3ccccc32)c1 225927227 QLRFAVWSXKXNDQ-QFIPXVFZSA-N 436.533 3.576 0 40 IHAB FC(F)(F)c1cc(N2Cc3ccccc3C2)nc(NC(=S)NCc2cccnc2)n1 225941993 WHPNMGYPAJLDGC-UHFFFAOYSA-N 430.459 3.897 0 40 IHAB COc1ccc(N2CCC[C@@](C)(C(=O)Nc3ccc(OC)c(Cl)c3)S2(=O)=O)cc1 225952112 FIOIWNQCZHTNQH-FQEVSTJZSA-N 438.933 3.685 0 40 IHAB COc1ccc(OC)c(CNC(=O)[C@@H]2C[C@H]3CC[C@@]2(C)C[C@]32NC(=O)c3ccccc3N2)c1 257310029 UDKKICFLKGKQIQ-PCWIJXTBSA-N 449.551 3.698 0 40 IHAB Cc1nc([C@@H]2CCN(C(=O)c3cc(C4CC4)on3)C2)nc2c1CCC(=O)N2CCC(C)C 257339614 ZCMUNAAJKANQQK-QGZVFWFLSA-N 437.544 3.605 0 40 IHAB O=C(NC[C@H](O)c1ccc(-c2ccsc2)o1)C(=O)Nc1ccc(OC(F)(F)F)cc1 390831085 PNSMHSZHLCSABB-AWEZNQCLSA-N 440.399 3.695 0 40 IHAB CCOC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Br)ccc1OC 408585610 GYUQPNQPTWLTPX-UHFFFAOYSA-N 429.292 3.827 0 40 IHAB COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)c1 408612073 YEGNNMQVSHECQO-UHFFFAOYSA-N 430.457 3.653 0 40 IHAB CCCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(Cl)cc2)c(Cl)c1 408624451 QHNNEJRJFDMKJN-UHFFFAOYSA-N 445.368 3.767 0 40 IHAB Cc1ccc(CNC(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1 409056635 SKVSCINNSALGKE-UHFFFAOYSA-N 440.540 3.950 0 40 IHAB COc1ccc(NC(=O)COc2ccc(S(=O)(=O)N[C@@H](C)c3ccccc3)cc2)cc1 409149911 VJBUVLQCJUQPEM-KRWDZBQOSA-N 440.521 3.752 0 40 IHAB CN1CCCN(CC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)c2cc(Cl)ccc21 533074600 RPKDTDFBZQAESW-UHFFFAOYSA-N 440.975 3.539 0 40 IHAB CC1(C)CN(C(=O)c2ccc(C(=O)N3CC(C)(C)[C@@H]3[C@H]3CCCO3)cc2)[C@H]1[C@@H]1CCCO1 580016485 MKLGTEKKTSGHED-LRSLUSHPSA-N 440.584 3.746 0 40 IHAB Cc1cnc(Nc2cccc([C@H]3CN(C(=O)COc4cccc(F)c4)CCO3)n2)s1 585262477 AQJMMEIKJOKVEO-GOSISDBHSA-N 428.489 3.708 0 40 IHAB Cc1c(Cl)cccc1C(=O)N1CCC2(CC1)OCCn1c(CN(C)CC3CC3)cnc12 1565555841 HSRZXMWFAZSMBA-UHFFFAOYSA-N 442.991 3.848 0 40 IHAB O=C(c1csc(-c2ccccc2)n1)N1CCC(Cn2nc3c(cc2=O)CCCC3)CC1 1775965705 ASVPTDXWLFJDAZ-UHFFFAOYSA-N 434.565 3.798 0 40 IHAB Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)c(C)c1 1336956 LTJALQQWNKPWAK-UHFFFAOYSA-N 429.538 3.667 0 40 IHAB COc1cc([C@@](O)(CCN2CCCCC2)c2ccc3c(c2)OCO3)cc(OC)c1OC 1666186 MHJLLVYDIAGTRN-XMMPIXPASA-N 429.513 3.553 0 40 IHAB O=C(COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)Nc1cccc(Cl)c1 1985103 BPCLYYGUUOPLMQ-UHFFFAOYSA-N 448.862 3.932 0 40 IHAB CC(C)CNC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 2183934 DJWQEEWYRVEZIB-UHFFFAOYSA-N 429.369 3.957 0 40 IHAB COc1ccc(NC(=O)COc2ccccc2F)cc1NS(=O)(=O)c1ccc(F)cc1 2621356 BENZZXHKHRSJPY-UHFFFAOYSA-N 448.447 3.792 0 40 IHAB COc1cccc(CNc2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccccc23)c1 2688101 ZQCXPRJHQDOWAZ-UHFFFAOYSA-N 445.504 3.731 0 40 IHAB COc1ccc(-n2c(SCC(=O)N3CCCC3)nc3ccccc3c2=O)cc1Cl 3490571 JCXHGQBTGTYXJO-UHFFFAOYSA-N 429.929 3.762 0 40 IHAB O=C(O)c1ccc(COc2ccc(/C=c3\sc4nc5ccccc5n4c3=O)cc2)cc1 8816943 NRQACFXPLZIUDL-BKUYFWCQSA-N 428.469 3.734 0 40 IHAB COc1cc([C@@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2Cc2cccnc2)ccc1O 8845714 MDMGNCYTMFNHDL-XMMPIXPASA-N 442.475 3.945 0 40 IHAB Cc1cccc(NC(=O)c2ccccc2NC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)c1 8850572 ACKJSKULPZDCGK-UHFFFAOYSA-N 448.523 3.831 0 40 IHAB C[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)N1CCN(c2ccccc2)CC1 9207172 AYOODKLVERWEAF-SFHVURJKSA-N 433.581 3.974 0 40 IHAB CCN(CC(=O)Nc1ccccc1OC)C(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 9223260 YPRKIKWFQNKUFU-LJQANCHMSA-N 445.519 3.689 0 40 IHAB CCC(=O)N(c1nnc(SCC(=O)Nc2nc3ccc(OC)cc3s2)s1)C1CC1 9255094 OYKYPMYMZUNUQO-UHFFFAOYSA-N 449.583 3.793 0 40 IHAB COc1cc(C)ccc1OCc1nnc(SCC(=O)Nc2nc(C)c(C)s2)n1C 9303816 YJZDNCJUWOYKDX-UHFFFAOYSA-N 433.559 3.515 0 40 IHAB CCN1CCN(c2ccc(NC(=O)[C@H](CC(C)C)NC(=O)c3ccccc3C)cc2)CC1 9339101 XDPQKURQVZXZTQ-DEOSSOPVSA-N 436.600 3.920 0 40 IHAB Cc1ccc(NC(=O)Cc2nc(CSc3nnnn3Cc3ccccc3)cs2)cc1 9549692 PEOBDCRLZQELKT-UHFFFAOYSA-N 436.566 3.960 0 40 IHAB COc1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3OC)c2)cc1 9711925 LQTBPBVBLVZGGV-UHFFFAOYSA-N 440.521 3.743 0 40 IHAB C[C@@H](OC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)C(=O)N1CCc2ccccc21 9716069 ZQSRITBZNFFHFD-MRXNPFEDSA-N 440.455 3.622 0 40 IHAB COc1cc(CNC(=O)c2ccc(I)cc2)ccc1OC(F)F 10441004 MNLWJFWZQLAXRT-UHFFFAOYSA-N 433.192 3.831 0 40 IHAB COc1cc(OC)cc(C(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)c1 10499956 BZNHHMGAPVPPSS-UHFFFAOYSA-N 425.510 3.916 0 40 IHAB COc1ccc(C(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc1Br 11077441 QUODQGCPBILEFL-UHFFFAOYSA-N 433.350 3.642 0 40 IHAB COc1ccc2cc(C(=O)N3CCC(c4ccnc5nc(C(F)(F)F)nn45)CC3)[nH]c2c1 12129666 XPVYXBZLVKXNIK-UHFFFAOYSA-N 444.417 3.653 0 40 IHAB Cc1ccc(OCC(=O)Nc2nc(CN3C[C@H](C)O[C@H](C)C3)cs2)c2c1[C@H](C)CC2=O 12738284 OTNWBMMBHCSSIZ-OAGGEKHMSA-N 443.569 3.768 0 40 IHAB CCOc1ccccc1[C@H](C(=O)NC(C)(C)C)N(C(=O)c1csnn1)C1CCCC1 12873614 VVYSBVFIBDTWGV-LJQANCHMSA-N 430.574 3.978 0 40 IHAB CCCCC(=O)N1CCC[C@@H](c2nc(O)c3nnn(Cc4ccccc4Cl)c3n2)C1 13083562 HCMZQDRZRNUDFB-OAHLLOKOSA-N 428.924 3.525 0 40 IHAB COc1cc(OC)cc(-c2cc3nc4c(c(NCCCn5ccnc5)n3n2)CCCC4)c1 13562842 BBAKFMZAQUANLT-UHFFFAOYSA-N 432.528 3.991 0 40 IHAB CCOc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCCCC3)c2)cc1 13581612 HNBFTZONBQFJDD-UHFFFAOYSA-N 432.542 3.911 0 40 IHAB CCOC(=O)c1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)c1C 13675185 NHKBAPZULBSLOT-UHFFFAOYSA-N 430.526 3.517 0 40 IHAB Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NC(=O)C(=O)NCc1ccccn1 13687341 CBRAFOMUEJRVNZ-UHFFFAOYSA-N 432.311 3.505 0 40 IHAB O=C(NCCc1ccco1)c1ccc2nc(NS(=O)(=O)c3ccc(F)cc3)sc2c1 13734796 AQKQKVXDNZXBSU-UHFFFAOYSA-N 445.497 3.802 0 40 IHAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O 14582896 FTVXYGVLLVYSLL-UHFFFAOYSA-N 441.450 3.933 0 40 IHAB COc1ccc(Br)cc1S(=O)(=O)NCc1ccc(CN2CCCC2)cc1 15336051 MQZHFYGATKVRAF-UHFFFAOYSA-N 439.375 3.532 0 40 IHAB Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@@H](c1cccnc1)N1CCc2ccccc2C1 15882612 XTFCFRMZUCGCCK-QHCPKHFHSA-N 448.954 3.898 0 40 IHAB O=S(=O)(Nc1ccc(I)cc1)c1cccc(Br)c1 16125337 JWANVDPXUFLTOT-UHFFFAOYSA-N 438.084 3.855 0 40 IHAB CCOC(=O)c1cccc(COC(=O)c2cccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)c2)c1 16687915 OPDLJMORBBLZFM-OYRHEFFESA-N 435.476 3.900 0 40 IHAB Cc1cccc2c(=O)n(CC(=O)OCC(=O)Nc3ccc(Oc4ccccc4)cc3)cnc12 18397855 YDOJFNSBPUWXMP-UHFFFAOYSA-N 443.459 3.679 0 40 IHAB O=C([C@@H]1CCCN1)N1CCC[C@@H](c2cc(Nc3cccc(F)c3)nc(-c3cccnc3)n2)C1 19294183 ZGFIORGJQHUDQC-NQIIRXRSSA-N 446.530 3.879 0 40 IHAB CCN1CCN(C(=O)c2cnc(C)nc2C)C[C@H](Cc2ccc(-c3cccs3)cc2)C1=O 19527437 GFJUNMKHVSNYOD-NRFANRHFSA-N 448.592 3.985 0 40 IHAB COc1ccc(CC(=O)N2CC[C@](Cc3cccc(-c4cccs4)c3)(C(N)=O)C2)cc1 19554027 ITZUAWMJZYUPRM-RUZDIDTESA-N 434.561 3.913 0 40 IHAB COc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@@H](O)c3c[nH]c4ccc(F)cc34)CC1)O2 19562168 SXCSUEQAIXKWFT-FCHUYYIVSA-N 426.488 3.700 0 40 IHAB CNC(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCCN(Cc2ccccc2OC)C1 19591314 AJKIDCOKPCKVQC-AREMUKBSSA-N 430.552 3.723 0 40 IHAB COc1cccc(-c2nccnc2[C@H]2CN(C(=O)c3nccc4ccccc34)CCO2)c1 19693149 JAFUMKXVLWSGIS-OAQYLSRUSA-N 426.476 3.914 0 40 IHAB COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CCCN(C(=O)c3oc(C)nc3C)C2)c1 19693983 QIFLMGDDZGMFBR-GOSISDBHSA-N 435.528 3.843 0 40 IHAB Cc1ccc([C@H]2CCCN2C(=O)c2ccc(C3CCN(S(C)(=O)=O)CC3)nc2)cc1C 19708101 JXYZAZNWBMUVTJ-HSZRJFAPSA-N 441.597 3.815 0 40 IHAB Cc1ncc(C(=O)N2CCCCC2)c([C@H]2CCCCN2C(=O)c2cccc(N(C)C)c2)n1 19752076 DFEAVKDUWKJJFE-JOCHJYFZSA-N 435.572 3.845 0 40 IHAB Cc1cc(=O)oc2cc(OCC(=O)N[C@H](C)c3ccc4c(c3)OCCO4)c(Cl)cc12 21391239 YXIFUGMYXKEARX-CYBMUJFWSA-N 429.856 3.782 0 40 IHAB Cc1ccccc1OC[C@@H](C)NC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 22341904 OGQSDVMGIPBFII-CQSZACIVSA-N 445.368 3.652 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)N(C)C2CCCCC2)c2ccc(F)cc2)cc1 22524656 LCTKWGUKFZHDRR-UHFFFAOYSA-N 434.533 3.821 0 40 IHAB COc1ccc(CN2CCN(CC(=O)N3CC[C@H](C)Sc4ccccc43)CC2)cc1F 22784162 ZDUGQCBEKXHFNY-SFHVURJKSA-N 443.588 3.869 0 40 IHAB O=C(CN1CCCN(Cc2ccc(Cl)cc2)CC1)Nc1cc2c(cc1Cl)OCO2 22845532 YBFJGQYEQOCWFK-UHFFFAOYSA-N 436.339 3.869 0 40 IHAB O=C(CN1CCN(Cc2ccc(Br)s2)CC1)NCc1ccc(Cl)cc1 22912500 TZTOPBNINQDSMQ-UHFFFAOYSA-N 442.810 3.598 0 40 IHAB Cc1cccc(NC(=O)CN2CCN(CCC(=O)Nc3ccc(Cl)cc3F)CC2)c1C 22930828 WOOZCPFGBMBKGK-UHFFFAOYSA-N 446.954 3.681 0 40 IHAB Cc1ccsc1CN(C)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 23040229 RETDNHSZXUETDG-UHFFFAOYSA-N 432.611 3.605 0 40 IHAB Cc1nc(COc2ccc(C(=O)N[C@@H](CN3CCOCC3)c3ccccc3)cc2)cs1 23883515 QOPMCIWXCIEYRK-QHCPKHFHSA-N 437.565 3.834 0 40 IHAB CC[C@H](C)c1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@@H](C)n3cncn3)cc2)cc1 24576521 ZCIBRTNFITWCKX-JKSUJKDBSA-N 427.530 3.792 0 40 IHAB O=C(Nc1ccc(F)cc1F)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 24607184 FXSNQLOAMUJLNG-UHFFFAOYSA-N 428.888 3.799 0 40 IHAB CCOc1ccc(-c2nnc(S)n2CC(=O)NCCCn2ccc3ccccc32)cc1 24705148 LIVFKADVUWVPTP-UHFFFAOYSA-N 435.553 3.794 0 40 IHAB COc1ccc(C(=O)N2CCCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c(O)c1 28685388 GHNXSTCWWPZFSY-UHFFFAOYSA-N 429.826 3.821 0 40 IHAB CCOc1c(Cl)cc(/C=C/C(=O)NCC2(N3CCOCC3)CCCCC2)cc1OC 29968487 VLZCRXQZIUXRHO-BQYQJAHWSA-N 436.980 3.912 0 40 IHAB CCOc1cc2c(cc1NC(=O)CCc1c(C)nc3c(c(OC)nn3C)c1C)O[C@@H](C)C2 30726772 RJBRPAAVYWZMCL-ZDUSSCGKSA-N 438.528 3.887 0 40 IHAB CC1=C[C@@H](CNC(=O)C2CC2)[C@H](C(C)C)C[C@H]1CC(=O)N1CCN(c2ccccn2)CC1 30881720 NKPOTKQXOFLPLI-VABKMULXSA-N 438.616 3.501 0 40 IHAB biogenic,in-vitro COc1ccc([C@H](CC(=O)OC(C)C)NC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)cc1 32820936 GMLPPBKBHMIDMC-KDOFPFPSSA-N 442.537 3.941 0 40 IHAB O=C(c1ccc2c(=O)n3c(nc2c1)CCC3)N(C[C@H]1CCCO1)c1nc2ccccc2s1 32981844 BCTFLCNTQJQUOR-MRXNPFEDSA-N 446.532 3.778 0 40 IHAB CCN(C(=O)CSc1nc2c3cc(OC)ccc3n(C)c2c(=O)n1C)c1ccccc1 33287602 JIFMOBVBQJQHOC-UHFFFAOYSA-N 436.537 3.579 0 40 IHAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CCc2ncc(-c3ccccc3)o2)CC1 36488166 KJUHSCGFCLECBM-UHFFFAOYSA-N 446.551 3.674 0 40 IHAB O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 36703059 VDSNERPRHTXNHV-FIKKOMSHSA-N 435.612 3.585 0 40 IHAB CCN(CC(=O)NC(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 39985904 PKFDNVQZDYAHPE-UHFFFAOYSA-N 438.549 3.612 0 40 IHAB COc1ccc(OC)c(-c2csc(NC(=O)[C@H]3CCCN(C(=O)c4ccoc4)C3)n2)c1 40059819 FIRSXOFRRNCWSO-AWEZNQCLSA-N 441.509 3.911 0 40 IHAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCN(Cc2csc(C(C)(C)C)n2)CC1 40118641 WNRJADQNDCKGIY-FQEVSTJZSA-N 442.629 3.539 0 40 IHAB Cc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1ccc(N2CCCC2=O)cc1)S(C)(=O)=O 44900135 YUKZKOGAGWUGKF-HNNXBMFYSA-N 449.960 3.568 0 40 IHAB Cc1ccc([C@@H](NCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2)cc1 57380643 WCROMFFJWBYATL-DEOSSOPVSA-N 431.492 3.794 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3C)nc2N)c1 57510455 IOTYVLYVCWNKAO-UHFFFAOYSA-N 442.566 3.548 0 40 IHAB O=C(Cn1ccc2cc(NC(=O)N3CCC[C@@H]3Cc3ccccc3)ccc21)N1CCOCC1 58327088 MAOKIWLPJIKYSQ-HSZRJFAPSA-N 446.551 3.739 0 40 IHAB Cc1cccc(-c2noc(-c3oc4ccc(S(=O)(=O)N5CCOCC5)cc4c3C)n2)c1 64948496 PWOMGBQITNDPTF-UHFFFAOYSA-N 439.493 3.788 0 40 IHAB CN(Cc1ccccc1)c1nc2ncn(CC(=O)Nc3ccccc3Cl)c(=O)c2s1 67225686 WANXOSYXVAKSKN-UHFFFAOYSA-N 439.928 3.782 0 40 IHAB O=C(Cn1c(=O)cc(-c2nc(C3CC3)no2)c2ccccc21)NCc1ccc(F)cc1F 67317996 XZMIFQXYJMBTCG-UHFFFAOYSA-N 436.418 3.524 0 40 IHAB O=C(Nc1nc2ccc(Cl)cc2s1)[C@H]1CCCN(c2cc(-n3cccn3)ncn2)C1 70656024 NFIACDQQUBLYIH-ZDUSSCGKSA-N 439.932 3.781 0 40 IHAB COc1ccc(CNC(=O)c2cn(-c3ccccc3OC)c(=O)c3ccccc23)cc1OC 71288825 HANHECPWEFZQLG-UHFFFAOYSA-N 444.487 3.947 0 40 IHAB CCn1cc(C(=O)N2CCC(c3nc(NC(C)C)ncc3-c3cc(C)no3)CC2)c(C)n1 72337704 MTOGFZIERDWWLJ-UHFFFAOYSA-N 437.548 3.805 0 40 IHAB CNc1nc([C@@H]2CCCCN2C)nc2c1CCN(C(=O)C(C)(C)c1cccc(F)c1)C2 72376582 XTOKNOVJULRCOV-FQEVSTJZSA-N 425.552 3.677 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSCc1ccccc1 89459640 MYSYTWWICVFAJE-UHFFFAOYSA-N 434.583 3.742 0 40 IHAB Cc1nc(Nc2ccccn2)cc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)n1 90607923 JWFHLKHQQKJPLR-UHFFFAOYSA-N 426.883 3.679 0 40 IHAB CN1CCN(c2cc(CNCc3cc(Cl)ccc3OCc3cccnc3)ccn2)CC1 95350421 LLKKXYJVGKIRRJ-UHFFFAOYSA-N 437.975 3.751 0 40 IHAB CCOC(=O)c1c(Cl)c2ncc(S(=O)(=O)N(C)c3cc(C)cc(C)c3)cc2n1C 95430812 BWYJXDLMPSLMKS-UHFFFAOYSA-N 435.933 3.845 0 40 IHAB CCOC(=O)c1ccc(N2C(=O)[C@H]3ON(c4ccccc4C)[C@@H](c4ccco4)[C@H]3C2=O)cc1 100799324 KRTFUMFAYMRUBY-FSSWDIPSSA-N 446.459 3.816 0 40 IHAB Cc1cc(Br)c(Cl)cc1NC(=O)[C@H](C)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 102085457 FJFUIZSRDOWKSF-WLNMLXKZSA-N 437.721 3.545 0 40 IHAB C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)[C@H]1C[C@H]2CC[C@H]1C2 105763927 CLPRTTHDEGVWEL-FUIFJNQPSA-N 444.641 3.907 0 40 IHAB CC[C@@H](Oc1ccccc1OC)C(=O)NCc1nc(-c2cccc(Br)c2)no1 219569197 GBQJYVAVVWTALR-OAHLLOKOSA-N 446.301 3.982 0 40 IHAB COc1cc(N(CC(=O)Nc2ccc(C(C)C)cc2)S(C)(=O)=O)c(OC)cc1Cl 220053186 CJEBQOHRTDYKEW-UHFFFAOYSA-N 440.949 3.885 0 40 IHAB C[C@H](C(=O)NCCCc1ccccc1Cl)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220456891 FOQTWCSVIKDNFL-CYBMUJFWSA-N 430.904 3.522 0 40 IHAB CCOc1ccc(N([C@H](CC)C(=O)N[C@@H](C)COc2ccccc2C)S(C)(=O)=O)cc1 220680440 KEQWKTBJWSXDET-GHTZIAJQSA-N 448.585 3.522 0 40 IHAB COc1ccccc1CCCNC(=O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1 222535556 UDVOIVAUKHNIII-UHFFFAOYSA-N 438.549 3.883 0 40 IHAB CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)COc1ccc(Br)c(C)c1 223045908 PKMWUQKJFHEIIP-HXUWFJFHSA-N 447.373 3.998 0 40 IHAB COC(=O)c1ccc(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)C[C@@H]3C)cc1 223106617 RKEWZJDBZUPIAS-NSHDSACASA-N 441.281 3.920 0 40 IHAB CCn1c(=O)sc2cc(S(=O)(=O)NCCOc3cccc4ccccc34)ccc21 223579511 FOSNMOIEDAYDOX-UHFFFAOYSA-N 428.535 3.593 0 40 IHAB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(C)cn1 223714409 LYBGIMLBKDDUIV-FGZHOGPDSA-N 435.553 3.501 0 40 IHAB COC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 223965049 ZPBUDGCAKFXCAH-UHFFFAOYSA-N 428.441 3.665 0 40 IHAB CCc1ccc(N(CCCC(=O)N[C@@H](C)c2cc(OC)ccc2OC)S(C)(=O)=O)cc1 224224780 PQCOUFJPBOUCAQ-KRWDZBQOSA-N 448.585 3.690 0 40 IHAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1ccc(C(F)(F)F)cc1 224533725 PDNKZHWUULNVGY-UHFFFAOYSA-N 430.448 3.536 0 40 IHAB CCCc1ccc(OCCNC(=O)CCCN(c2ccccc2CC)S(C)(=O)=O)cc1 224661831 FETFZQSLXYYBAX-UHFFFAOYSA-N 446.613 3.943 0 40 IHAB CCC1(CC)C[C@H](NC(=O)CN(c2ccccc2C)S(C)(=O)=O)c2ccccc2O1 224995621 ZVWVZJOYEXGGFO-IBGZPJMESA-N 430.570 3.960 0 40 IHAB CCC1(CC)C[C@H](NC(=O)CN(c2ccccc2OC)S(C)(=O)=O)c2ccccc2O1 225104530 LLDUPFXMLSLWNS-SFHVURJKSA-N 446.569 3.660 0 40 IHAB CCc1ccc(OCCNC(=O)/C(=C/c2ccco2)NC(=O)c2ccc(OC)cc2)cc1 225167499 CRKKPLMOAZRLJY-QJOMJCCJSA-N 434.492 3.817 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCc3ccccc3Cl)CC2)cc1 225479972 FBJFHDCAJXGXOA-UHFFFAOYSA-N 434.989 3.798 0 40 IHAB COc1ccc(CCNC(=O)CCc2nc(-c3ccc(Br)cc3)no2)cc1 225818102 OMKVHZSGHXZTTJ-UHFFFAOYSA-N 430.302 3.799 0 40 IHAB CCOc1ncc([C@]2(O)CC[C@H]3CN(Cc4cccc(OC(C)C)c4)C[C@H]32)c(OCC)n1 230035587 GDZNPJKSHQYXBX-UWUFEASWSA-N 441.572 3.791 0 40 IHAB COc1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)C(C)(C)C)N1C=Cc3ccccc3[C@@H]21 248147201 TVGKUGGUPLPVIQ-LRSLUSHPSA-N 430.504 3.826 0 40 IHAB CNC(=O)[C@@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 257218839 DEOOGSFUVJZARF-SANMLTNESA-N 444.535 3.592 0 40 IHAB COc1ccc(NC(=O)c2ccccc2N2C(=O)[C@@H]3[C@@H]4C[C@H](C=C4C)[C@H]3C2=O)c(OC)c1 408673486 SMYZALSFMKGHET-KIXAIZAISA-N 432.476 3.658 0 40 IHAB O=C(c1cc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2s1)N1CCOCC1 408713352 UVNFMDILCRKENJ-UHFFFAOYSA-N 436.942 3.828 0 40 IHAB CCOCCCNC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 409124868 LBXWVAKTVBYMPS-UHFFFAOYSA-N 445.368 3.732 0 40 IHAB COC(=O)c1ccc(NC(=O)COC(=O)c2cc(-c3ccc(C=O)o3)ccc2Cl)cc1 409176451 NQJCWDVHMWMZEE-UHFFFAOYSA-N 441.823 3.995 0 40 IHAB CCOc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)cc1OCC 409359397 ODYZNGBLECDEMM-CPNJWEJPSA-N 432.542 3.779 0 40 IHAB O=C(Nc1ccc(F)cc1)Nc1cccc2c1CCN(C(=O)Nc1nnc3ccccn13)C2 579522342 SPHVKSCDKQSZJD-UHFFFAOYSA-N 445.458 4.103 0 40 IHAB CC(C)CS(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 585146912 IOSFSXYDHYAADC-CYBMUJFWSA-N 447.928 3.583 0 40 IHAB Cc1noc([C@H]2CCCN(C(=O)Nc3cccc(C(=O)N4CCc5ccccc54)c3)C2)n1 588255820 BROTWDYQFVMMAF-IBGZPJMESA-N 431.496 3.992 0 40 IHAB O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2ccccc2c1)N1C2CCC1CC2 637498193 HDRVOVHQZSRBBS-UBVWURDFSA-N 434.561 3.883 0 40 IHAB Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)Nc4[nH]nc5nnc(C)c(C)c45)cc3C2=O)c1 647689417 ODGRDGYADNIRRD-UHFFFAOYSA-N 440.463 3.639 0 40 IHAB Cc1cc(N[C@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)n2nc(C)nc2n1 1559186109 RMHOWZKDSDATNC-INIZCTEOSA-N 443.349 3.728 0 40 IHAB O=C(CN1CCC[C@@H](C(=O)N2CCC(F)(F)CC2)C1)Nc1cccc(C(F)(F)F)c1 2298126609 GMNJZWARZJNKSB-CQSZACIVSA-N 433.421 3.614 0 40 IHAB COc1ccc2cc(CN(CCc3ccccc3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1 917980 ZGWMEHCBIADLBH-UHFFFAOYSA-N 448.544 3.970 0 40 IHAB Cc1cc2cc(CN(C[C@H]3CCCO3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2cc1C 923175 WOQBFKLDDFGEJC-HXUWFJFHSA-N 426.538 3.515 0 40 IHAB Cc1cccc(N(C(=O)c2csnn2)[C@H](C(=O)NCc2ccccc2)c2ccncc2)c1 1357100 XCRVEDCBEFLAFU-QFIPXVFZSA-N 443.532 3.946 0 40 IHAB COc1ccc2[nH]cc(CCNC[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@H](O)[C@@H]43)c2c1 1820057 BJRTZLZJYHGJHK-QUGPMXRVSA-N 438.568 3.594 0 40 IHAB biogenic CC(C)OCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccccc2)C1=O 2093882 AXJBIEODLJXQSU-WIOPSUGQSA-N 431.536 3.668 0 40 IHAB biogenic COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccco4)CC(=O)N32)cc1 2149719 UUXNVZZEFFUNIU-DHLKQENFSA-N 441.487 3.655 0 40 IHAB biogenic Cc1cccn2c(=O)c3cc(C(=O)NCCc4ccccc4)n(Cc4ccccc4)c3nc12 2197386 BWLXHZSWEHQJAQ-UHFFFAOYSA-N 436.515 3.978 0 40 IHAB CC[C@@H](C)NC(=O)c1c(N)n(CCc2ccc(OC)c(OC)c2)c2nc3ccccc3nc12 2264282 IONMTDDEFRDBBA-OAHLLOKOSA-N 447.539 3.955 0 40 IHAB CCOC(=O)[C@@](NC(=O)N(C1=NCC(C)(C)S1)c1cccc(C)c1)(OC)C(F)(F)F 2270369 RHDNTURYKSGKIW-GOSISDBHSA-N 447.479 3.861 0 40 IHAB biogenic Cc1nn(Cc2cccc(C(=O)Nc3cnn(C)c3C(=O)NCC(C)C)c2)c(C)c1Cl 2728840 UUIWBDMUAWFMAR-UHFFFAOYSA-N 442.951 3.573 0 40 IHAB COc1ccc(-c2coc3cc(OCC(=O)NCCc4ccc(O)cc4)ccc3c2=O)cc1 8765304 QBSNWMDUQQBDMK-UHFFFAOYSA-N 445.471 3.912 0 40 IHAB biogenic CCCCNS(=O)(=O)c1ccc2nc(SCC(=O)Nc3ccc(F)cc3)[nH]c2c1 9255632 CSOPMMQPDZEPHM-UHFFFAOYSA-N 436.534 3.511 0 40 IHAB COc1cc([C@H]2CC(=O)Nc3nc(SCc4ccc(Cl)cc4)[nH]c(=O)c32)ccc1O 9451781 DMBQUZYODGZJON-CQSZACIVSA-N 443.912 3.904 0 40 IHAB C[C@H](CCc1ccccc1)NC(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O 9532587 FYDAYUIKOPIWFJ-WXTAPIANSA-N 429.520 3.744 0 40 IHAB Cc1ccc(C(=O)CCC(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)s1 9642856 QWBHHEUNTIWWHM-UHFFFAOYSA-N 428.510 3.625 0 40 IHAB C[C@@H](NC(=O)COC(=O)c1ncc(Cl)c(Cl)c1Cl)c1ccc2c(c1)OCO2 9644674 ICLDVQLDEKVWAO-MRVPVSSYSA-N 431.659 3.805 0 40 IHAB CC(C)(C)c1ccc(NC(=O)CNC(=O)CNC(=O)c2ccc(Cl)cc2Cl)cc1 9950759 NXBQWUOGKJNZME-UHFFFAOYSA-N 436.339 3.776 0 40 IHAB C[C@H]1Cc2cc(C(=O)Nc3ccc4c(c3)OCO4)ccc2N1S(=O)(=O)c1ccccc1 10325807 BQFHCIKGPLEQFE-HNNXBMFYSA-N 436.489 3.808 0 40 IHAB CCOC(=O)c1cccc(NC(=O)[C@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)c1C 10443549 XWNCUABRGBFSBN-KRWDZBQOSA-N 432.542 3.582 0 40 IHAB O=C(Nc1ccc(CNS(=O)(=O)c2ccc(Br)cc2Cl)cc1)C1CC1 10670318 PQXGLQIPBCVXJO-UHFFFAOYSA-N 443.750 3.930 0 40 IHAB O=C(c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)N1CCN(c2nccs2)CC1 11188434 WDLOQMPCIRTZKW-UHFFFAOYSA-N 440.529 3.554 0 40 IHAB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)c3ccncc23)c1 11256953 RPENYOJQCOCZHB-UHFFFAOYSA-N 438.553 3.728 0 40 IHAB COc1cc(OC)c(C2=CCN(CC(=O)Nc3cccc4ncccc34)CC2)c(OC)c1 11406470 HDIGOCADELXDQY-UHFFFAOYSA-N 433.508 3.988 0 40 IHAB C[C@H](OC(=O)C(C)(C)Oc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 11482016 PANVMDYMMTWKDA-INIZCTEOSA-N 446.931 3.904 0 40 IHAB C[C@@H](OC(=O)c1ccc(OCc2cscn2)cc1)C(=O)Nc1ccc(N(C)C)cc1 11498427 NQNWFTAGCRGTFL-OAHLLOKOSA-N 425.510 3.972 0 40 IHAB Cc1ccccc1C(=O)N[C@H](C(=O)NCc1ccc(NC(=O)c2ccco2)cc1)C(C)C 11534264 FXAUMYVIKCFXEC-QFIPXVFZSA-N 433.508 3.911 0 40 IHAB CN(CC(=O)Nc1cccc(F)c1)C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 11599099 SSYZEDMAXFXFKH-UHFFFAOYSA-N 435.484 3.846 0 40 IHAB CCCOc1cccc(C(=O)NC(=S)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)c1 12138182 PUQQGLAPZFANRU-SFHVURJKSA-N 441.553 3.511 0 40 IHAB O=C(NC1CCCCC1)[C@H](c1ccncc1)N(C(=O)c1csnn1)c1cccc(F)c1 12472010 VBUCHHSFMTZYMB-FQEVSTJZSA-N 439.516 3.909 0 40 IHAB COC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@@H]1c1ccc(Cl)cc1 12515514 NSECFHMUIPAZIM-LJQANCHMSA-N 430.913 3.994 0 40 IHAB COc1cc(NC(=O)c2ccco2)c(C(=O)NCCn2c(C)nc3ccccc32)cc1OC 12628400 RTBSSXTXIJVLJS-UHFFFAOYSA-N 448.479 3.637 0 40 IHAB COc1ccc(C(=O)C2CCN(C(=O)[C@@H](NC(=O)c3ccc(C)cc3)C(C)C)CC2)cc1 12740210 ZIZKEYYLZYPGON-QHCPKHFHSA-N 436.552 3.880 0 40 IHAB COc1ccccc1[C@@H](CNC(=O)[C@@H](NC(=O)c1ccccc1F)C(C)C)N1CCCC1 12791914 FTDLFNIQEUXUTD-GGAORHGYSA-N 441.547 3.542 0 40 IHAB Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCCCc4ccccc43)C2=O)c(C)n1C[C@H]1CCCO1 12854275 NXEMOFOAVWHRCX-FQRUVTKNSA-N 449.551 3.640 0 40 IHAB Cc1ccccc1C(=O)N1CCC(C(=O)O[C@H](C)C(=O)N2CCCc3ccccc32)CC1 12862397 OECHSYXWHLDOOR-LJQANCHMSA-N 434.536 3.758 0 40 IHAB Cc1cccc(-n2c(SCc3nnnn3-c3ccccc3)nc3ccccc3c2=O)c1 12939868 TZHHOGYMHFULLW-UHFFFAOYSA-N 426.505 3.962 0 40 IHAB COc1ccc(CN(C2CC2)S(=O)(=O)c2cc(Br)ccc2OC)cc1 12947073 WCLQPMFOPAEXDH-UHFFFAOYSA-N 426.332 3.820 0 40 IHAB CCN(CC)C(=O)c1ccc(NC(=O)COC(=O)c2ccc3nc(C)c(C)nc3c2)cc1 13016537 DBCVGUTVGQYHDR-UHFFFAOYSA-N 434.496 3.524 0 40 IHAB O=C(CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1)Nc1nnc(C2CC2)s1 13041460 ZFXIDYVGFBNFSZ-UHFFFAOYSA-N 434.587 3.552 0 40 IHAB Cc1ccc2c(c1)C(=O)C[C@@H]([C@H]1CCCN(C(=O)c3cc(-c4cnn(C)c4C)on3)C1)O2 13227501 DZHNAVJTGGCEGS-AOMKIAJQSA-N 434.496 3.578 0 40 IHAB Cc1ccc(NC(=O)Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3sccc32)c(C)c1 13533373 OSLBTFQEQGUTBN-UHFFFAOYSA-N 437.496 3.668 0 40 IHAB Cc1cccc(C)c1NC(=O)Cn1c(=O)n(CCc2ccccc2)c(=O)c2sccc21 13533592 VHFQMXWVZQQROX-UHFFFAOYSA-N 433.533 3.723 0 40 IHAB COc1ccc(OCC(=O)Nc2cc(Cl)ccc2N2CCN(C(=O)C(C)C)CC2)cc1 14291180 LXAFKPFETZLXNR-UHFFFAOYSA-N 445.947 3.671 0 40 IHAB COc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)cc1OC 15589354 INTFAHIAPSUOJV-UHFFFAOYSA-N 430.457 3.896 0 40 IHAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(COc2ccc(F)cc2)o1 16680193 OOLABGIHHHEGPY-CYBMUJFWSA-N 442.472 3.644 0 40 IHAB O=C(c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)N1CCC[C@H](C(F)(F)F)C1 16962302 AOPTVWPKVBPHOP-AWEZNQCLSA-N 438.899 3.929 0 40 IHAB COc1ccccc1-c1nc2n(n1)[C@H](c1ccccn1)C(C(=O)Nc1cccnc1)=C(C)N2 17243748 PJYJZYRMVZZOJO-OAQYLSRUSA-N 439.479 3.671 0 40 IHAB 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Cc1ccc(-c2noc(CCC(=O)N3CCN(Cc4nc5ccccc5s4)CC3)n2)cc1 23967673 MUKSELLHPJXBSB-UHFFFAOYSA-N 447.564 3.932 0 40 IHAB O=C([C@H]1CCCN(c2cnccn2)C1)N1CCc2[nH]c3ccc(Br)cc3c2C1 30112501 DIZSOUNQSQCXHM-AWEZNQCLSA-N 440.345 3.522 0 40 IHAB O=C(Nc1cc2c(cc1Cl)OCCO2)c1ccc2c(=O)n3c(nc2c1)CCCCC3 32581948 OWUBPGCBAAXKKL-UHFFFAOYSA-N 425.872 3.800 0 40 IHAB Cc1ccc(NC(=O)CSc2nc3ccccc3n2CCC(C)C)cc1S(N)(=O)=O 32719047 BLAVCHYBQUDZHK-UHFFFAOYSA-N 446.598 3.769 0 40 IHAB CCOc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)cc1 32774498 XGRHHMBGGRZFSR-MRXNPFEDSA-N 449.507 3.706 0 40 IHAB CN(Cc1ccccc1N1CCCCC1)C(=O)CCNS(=O)(=O)/C=C/c1ccccc1 32819246 PIFJQOBBXNPHFJ-XDJHFCHBSA-N 441.597 3.616 0 40 IHAB CCOC(=O)Cc1nnc(S[C@@H](C)C(=O)c2ccc(F)cc2)n1Cc1ccccc1 32829318 IWOCUKCYITUNGR-HNNXBMFYSA-N 427.501 3.935 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)[C@H]3CCCc4ccccc43)C2)s1 32903922 BBHCYZCFJYEUFN-QUCCMNQESA-N 432.611 3.993 0 40 IHAB Cc1cc(OCC(=O)N2CCN(c3ccccc3F)CC2)nc(-c2ccc(Cl)cc2)n1 35537614 SMUPYEISKKZQPN-UHFFFAOYSA-N 440.906 3.972 0 40 IHAB C[C@H]1CC[C@@H]2C(=O)N(c3cccc(OC(=O)[C@@H]4CC(=O)N(c5ccccc5)C4)c3)C(=O)[C@@H]2C1 35900284 WOJFIYOWTOKWHS-DEVSCXNHSA-N 446.503 3.571 0 40 IHAB CCCCCC(=O)NC(=S)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 57316688 BFEPRVQVZKIILB-UHFFFAOYSA-N 425.879 4.000 0 40 IHAB COc1cccc(Cn2c(SCC(=O)N3CCC[C@H](C)C3)nc3ccsc3c2=O)c1 57426178 HFMBAEHSPDXHBT-HNNXBMFYSA-N 443.594 3.866 0 40 IHAB O=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccc(C(F)(F)F)cc2)cc1)C1CC1 67896803 IXGZOUOEOMGKJJ-TZIWHRDSSA-N 448.441 3.515 0 40 IHAB biogenic,in-vitro COc1cccc(NC(=O)Cn2nnc(C(=O)Nc3cc(Cl)cc(Cl)c3)c2C)c1 71327353 BRHYNXZXRNWBAF-UHFFFAOYSA-N 434.283 3.793 0 40 IHAB Cc1cccc(C(=O)N[C@H](C(=O)Nc2ccc(NC(=O)c3cnoc3C)cc2)C(C)C)c1 72272622 NHVWSFYHGFRXGM-NRFANRHFSA-N 434.496 3.937 0 40 IHAB CCN1CCN(C(=O)Cc2ccccc2OC)[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O 72351844 VOTIAHWUQRXWJA-DEOSSOPVSA-N 443.547 3.602 0 40 IHAB O=C(CCCNC(=O)OCc1ccccc1)N[C@@H]1c2ccccc2CC[C@H]1n1ccnc1 78975703 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3.723 0 40 IHAB COc1ccc(S(=O)(=O)NCCNc2ccnc3cc(Cl)ccc23)cc1Cl 222980746 HSNOPLZQVZVRFF-UHFFFAOYSA-N 426.325 3.941 0 40 IHAB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc(C(=O)OC)c2)o1 223036274 FEJWAMYFZDWKKQ-RTWAWAEBSA-N 437.521 3.747 0 40 IHAB CCc1ccc(OCC(=O)N(Cc2ccc(OC)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 223083997 FPMFAKDSOBUMCQ-GOSISDBHSA-N 426.557 3.968 0 40 IHAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)cc1OC 223889344 HNMKPLMODYOEAD-FKCDGQTKSA-N 426.538 3.841 0 40 IHAB COc1cccc(OC)c1CNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2C)c1 224076114 UPUJUIBASJMASX-UHFFFAOYSA-N 440.521 3.743 0 40 IHAB CCOC(=O)c1ccccc1N(CC)S(=O)(=O)c1ccc(OC)c(Br)c1 224878521 OFYMMIAMUMALJZ-UHFFFAOYSA-N 442.331 3.850 0 40 IHAB Cc1ccc(-c2nnc(NS(=O)(=O)c3ccc4c(c3)CCN4C(=O)C3CC3)s2)cc1 225070751 SQFCNJDGZAFNKF-UHFFFAOYSA-N 440.550 3.613 0 40 IHAB CC[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1)c1ccc(OC)cc1 225521742 XTPFEWCGOBVSFU-KNQAVFIVSA-N 430.570 3.672 0 40 IHAB COc1ccc(NC(=O)C(C)(C)NS(=O)(=O)Cc2ccccc2F)c2ccccc12 225922604 FYZQZEPOIWCCFO-UHFFFAOYSA-N 430.501 3.824 0 40 IHAB Cc1cc(Nc2ncccn2)cc(C2CCN(S(=O)(=O)c3ccc(F)c(C)c3)CC2)n1 257320521 VXENYYJLDAUWBK-UHFFFAOYSA-N 441.532 3.939 0 40 IHAB O=C(c1ccccc1I)N1CCC[C@H](N2CCc3ccccc3C2)C1 408607275 KKXCTUOFLRYMQT-SFHVURJKSA-N 446.332 3.954 0 40 IHAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)cc1C 408617360 CQVXXVRFYFUJIL-LJQANCHMSA-N 444.597 3.542 0 40 IHAB C[C@@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 408647544 JKTAMYDKMVUYEK-RYGJVYDSSA-N 436.895 3.920 0 40 IHAB O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)OCC(=O)c1ccccc1Cl 409177795 HKNIOOBOGRNZQG-UHFFFAOYSA-N 426.639 3.669 0 40 IHAB Cc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2ccccc2N2CCOCC2)C1=O 409215363 ZQTIINHJUJXAHV-XSFVSMFZSA-N 437.521 3.507 0 40 IHAB O=C(c1csc(-c2ccc(Cl)c(Cl)c2)n1)N1CCC[C@@H](N2CCNC2=O)C1 520121135 YEBOCLCSZAURQB-GFCCVEGCSA-N 425.341 3.747 0 40 IHAB O=C(/C=C\c1cc(Br)cs1)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)O 584908401 HAAZNYPPGBVPDX-OUMXJLHTSA-N 437.290 3.956 0 40 IHAB O=C(CCNc1ncc(C(F)(F)F)cc1Cl)N[C@@H]1CCS(=O)(=O)c2ccccc21 605399685 JYFPTNMIUFHEQF-CQSZACIVSA-N 447.866 3.591 0 40 IHAB O=C(N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)c1ccnc(N2CCCCC2)n1 1525266708 DSTFHFGTICBYDX-KRWDZBQOSA-N 448.354 3.699 0 40 IHAB Cc1nn(C)cc1S(=O)(=O)Nc1c(C)nn(Cc2ccc(Cl)cc2Cl)c1C 2804776 GBQGLRNOAUTERD-UHFFFAOYSA-N 428.345 3.698 0 40 IHAB CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)c1cccnc1Nc1ccccc1F 3417139 NUOALUFVNGUGCG-UHFFFAOYSA-N 448.454 3.885 0 40 IHAB Cc1nc(N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c2c3c(sc2n1)CCC3 3444248 YOBKBGFWFVUNGG-XNTDXEJSSA-N 440.594 3.611 0 40 IHAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H](O)[C@H](O)C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 4276608 HSENALUPARAQJF-YBYOCDOASA-N 426.594 3.716 0 40 IHAB O=C(Nc1ccc(=O)n2c1[C@@H]1C[C@@H](CN(C(=O)Nc3ccc(F)cc3)C1)C2)c1ccccc1 8300366 IXQBPUWMPMSKAW-FUHWJXTLSA-N 446.482 3.891 0 40 IHAB biogenic,in-vitro CC(C)N(C(=O)Cn1c(SCC(=O)Nc2nccs2)nc2ccccc21)C(C)C 8677916 LGOVGRAUNOWBNM-UHFFFAOYSA-N 431.587 3.869 0 40 IHAB CCCN1C(=O)[C@](O)(CC(=O)c2cc(OC)ccc2OC)c2cc(Br)ccc21 8920238 CLNVNOYQAZSLCB-NRFANRHFSA-N 448.313 3.684 0 40 IHAB O=C(CN1CCC(C(=O)N2CCCCCC2)CC1)Nc1ccc(N2CCCCC2)cc1 9118460 CNAOEXQQNLFZON-UHFFFAOYSA-N 426.605 3.730 0 40 IHAB Cc1ccc(C)c(-n2nnnc2SCC(=O)NCC2(N3CCCCC3)CCCCC2)c1 9515151 QYJAKDZLBOHPKM-UHFFFAOYSA-N 442.633 3.676 0 40 IHAB CC(C)(C)c1ccc(C(=O)NCc2nnc(SCC(=O)NC3CCCCC3)o2)cc1 9518578 ICMVDNKBOXXKPQ-UHFFFAOYSA-N 430.574 3.838 0 40 IHAB O=C(CSc1nnc(CNC(=O)c2cccc(C(F)(F)F)c2)o1)Nc1ccccc1 9518599 JHCUAIJQZPCEIF-UHFFFAOYSA-N 436.415 3.749 0 40 IHAB COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1 9540080 GSETXZBHMUVCIC-SFHVURJKSA-N 435.402 3.989 0 40 IHAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)Nc3cc(Cl)ccc3C)C2=O)cc1Cl 9748487 SRXLHPSHQYARGK-MSOLQXFVSA-N 446.294 3.542 0 40 IHAB CNc1nnc(SCC(=O)c2cc(C)n(C[C@@H]3COc4ccccc4O3)c2C)s1 9862005 MWVNWJSAYOOGOL-CQSZACIVSA-N 430.555 3.813 0 40 IHAB COc1ccc2nc(-c3ccc(OC)c(NC(=O)c4cc5ccccc5oc4=O)c3)cn2n1 11693456 UQQHNFYZSMDPIW-UHFFFAOYSA-N 442.431 3.772 0 40 IHAB CCOC(=O)c1c(NC(=O)c2nn(-c3ccc(Cl)cc3)ccc2=O)sc(C)c1C 11914113 FLYNJWRSQKJCJV-UHFFFAOYSA-N 431.901 3.993 0 40 IHAB Cc1cc(C(F)(F)F)n2nc([C@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)cc2n1 12257587 FDJAZBXMMJHHGE-ZDUSSCGKSA-N 442.438 3.764 0 40 IHAB CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)N1CCN(c2ccccc2Cl)CC1 12556242 PALXPLGOONPYCK-GOSISDBHSA-N 442.991 3.510 0 40 IHAB COc1ccc(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)cc1S(=O)(=O)N(C)C 12620182 AFUAMJIQEJMENQ-OAHLLOKOSA-N 440.974 3.566 0 40 IHAB C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)c1cccc(Cl)c1 12865473 FDTGKMWGBHGXON-LBPRGKRZSA-N 448.397 3.832 0 40 IHAB COc1cccc(CN(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)c1OC 12906055 DKPPWVIYNPUXHA-JOCHJYFZSA-N 432.520 3.704 0 40 IHAB O=C(CN1CCOCC1)Nc1ccc(NC(=O)C2(c3cccc(Cl)c3)CCC2)cc1 12971345 YMLWNFQTOWRDCG-UHFFFAOYSA-N 427.932 3.671 0 40 IHAB CN(C(=O)/C=C/c1ccc(-c2ccc(Br)cc2)s1)[C@@H]1CCS(=O)(=O)C1 12985594 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COC(=O)[C@H]1C(=O)[C@@]2(Cc3c(ccc4ccccc34)N(COC(C)C)C2)C(=O)CC1(C)C 14945140 AEABKFZWZJSDJK-ATIYNZHBSA-N 437.536 3.929 0 40 IHAB O=S(=O)(/C=C/c1ccc(Cl)cc1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 16124232 WZBGOIRJGFIMII-JLHYYAGUSA-N 426.947 3.537 0 40 IHAB C[C@H](CCc1ccccc1)NC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1 16576351 QOPTWHCZRYHRMU-LJQANCHMSA-N 444.597 3.814 0 40 IHAB O=C(NC1CC1)c1cc(S[C@@H](C(=O)N2CCOCC2)c2ccccc2)nc2ccccc12 17275936 KGUMXAIRWBXJPR-HSZRJFAPSA-N 447.560 3.819 0 40 IHAB COc1ccccc1O[C@@H](C)C(=O)N1CCC[C@@H]([C@@H]2C[C@H](C(F)F)n3nc(C)cc3N2)C1 19127371 KFZNIZSATYIFAU-XWTMOSNGSA-N 448.514 3.897 0 40 IHAB O=C1[C@@H]2[C@H](C(=O)N1c1ccc(Br)cc1)[C@@H](c1ccc(Cl)cc1)N1CCCN21 19171608 ZTLSBLCLYFIIBS-KURKYZTESA-N 446.732 3.638 0 40 IHAB COc1ccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)c(OC)c1 19647374 PXIPXLMQKORPRR-UHFFFAOYSA-N 448.526 3.610 0 40 IHAB COc1ccc(-c2cnc(N(C)C)nc2C2CCN(C(=O)CCn3ccc(C)n3)CC2)cc1 19695107 XMQHWFUSWAYJKB-UHFFFAOYSA-N 448.571 3.519 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2ccc(Cl)cc2)c(C)c1 20022694 NZILRDWIGNDFSK-MRXNPFEDSA-N 438.977 3.935 0 40 IHAB CS(=O)(=O)N1CCC(C(=O)Oc2ccc(-c3ccc(Br)cc3)cc2)CC1 21896015 YHPSLRDZEXRXDJ-UHFFFAOYSA-N 438.343 3.693 0 40 IHAB COc1cccc2cc(-c3nnc(NC(=O)[C@@H]4CC(=O)N(c5ccc(F)cc5)C4)o3)oc12 22677376 TZAUSTMFPASPFH-CYBMUJFWSA-N 436.399 3.622 0 40 IHAB CCc1nc2sc([C@@H](c3ccco3)N3CCN(c4ccc(F)cc4)CC3)c(O)n2n1 22854941 KSWPMYRFUJLFCH-GOSISDBHSA-N 427.505 3.703 0 40 IHAB O=C(COCc1nc2ccccc2s1)N1CCN(Cc2nc3ccccc3s2)CC1 23994680 LVZBQZZDGHNWKE-UHFFFAOYSA-N 438.578 3.767 0 40 IHAB CNC(=O)c1ccc(/C=C/C(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2Cl)cc1 24832650 UPDSSKQIWWRGJK-XEDBTPMOSA-N 428.916 3.912 0 40 IHAB COc1ccc([C@H]2CCCN2C(=O)Cn2c(S)nnc2-c2cccc(C)c2)cc1OC 24985105 KGXTXCKWCCFNJU-GOSISDBHSA-N 438.553 3.923 0 40 IHAB NC(=O)c1cc(Cl)ccc1OCC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 27566189 BLMPZWMRFNDEIA-OAHLLOKOSA-N 429.885 3.850 0 40 IHAB CCCCNS(=O)(=O)c1cccc(NC(=O)c2cccc(Nc3ncccn3)c2)c1 28107567 ACTDXXBDFGMSGN-UHFFFAOYSA-N 425.514 3.551 0 40 IHAB CCOc1ccc(N2C[C@H](C(=O)N[C@@H](CC(=O)OC)c3ccc(Cl)cc3)CC2=O)cc1 30993025 VZHACZYUJYNUOB-UZLBHIALSA-N 444.915 3.512 0 40 IHAB O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)NC[C@@H]1CCCc2ccccc21 32764692 HQTBRABKOCYWQK-SFHVURJKSA-N 432.611 3.702 0 40 IHAB C[C@@H](NC(=O)c1ccccc1Cl)c1nnc(SCC(=O)Nc2ccccc2)n1C 33534516 URHXYBCMHWWCFS-CYBMUJFWSA-N 429.933 3.690 0 40 IHAB Cc1nn(Cc2ccc(Br)cc2)c(C)c1N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O 36121646 GMEWGLAWBFPYDJ-LVYXFOGZSA-N 426.314 3.622 0 40 IHAB O=C1N[C@@H]2CS[C@H](CCCCC(=O)N3CCc4sccc4[C@H]3c3ccccc3)[C@@H]2N1 36435375 LRWSIOSGPLBNQB-JHMKDJTOSA-N 441.622 3.948 0 40 IHAB C[C@H](OC(=O)c1c2c(nc3ccccc13)CCCCC2)C(=O)Nc1ccc(C(N)=O)cc1 39547123 NICJQHUHIGZSQZ-HNNXBMFYSA-N 431.492 3.787 0 40 IHAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)N2CCc3[nH]c4ccccc4c3C2)c1 40096792 XJIQJBSUTHDKST-UHFFFAOYSA-N 426.542 3.789 0 40 IHAB Cc1cc(NC(=O)CN2CCC(C(=O)Nc3ncccc3C)CC2)ccc1Br 40149591 OPJDBTNKWXOQIR-UHFFFAOYSA-N 445.361 3.750 0 40 IHAB CCOc1ccc(NC(=O)c2nnc3c(-c4ccc(OC)cc4)c(COC)nn3c2C)cc1 40372575 NELJPIRAIIZBPR-UHFFFAOYSA-N 447.495 3.906 0 40 IHAB Cc1nnsc1C(=O)N1CCC(CNC(=O)NC(c2ccccc2)c2ccccc2)CC1 43987406 RNIPMSHJUYWNSI-UHFFFAOYSA-N 449.580 3.788 0 40 IHAB CC(C)N1C(=O)c2ccc(C(=O)NCC3(c4ccccc4)CCCCC3)cc2S1(=O)=O 48361492 ZXAKCCYTRDGGGT-UHFFFAOYSA-N 440.565 3.871 0 40 IHAB Cc1nnc2ccc(S(=O)(=O)N(Cc3ccc(F)cc3)c3cc(F)cc(F)c3)cn12 49408605 KXTATOUVZBGSGX-UHFFFAOYSA-N 432.427 3.851 0 40 IHAB C[C@@H](N[C@H](C)c1ccc(F)c(F)c1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 57381171 FVLLPSGGVACGMG-VXGBXAGGSA-N 445.919 3.546 0 40 IHAB Cc1ccc(NC(=O)Cn2c(=O)n(Cc3ccc(Cl)cc3)c(=O)c3ccccc32)cc1 57473037 IUDRORZTKRYJJI-UHFFFAOYSA-N 433.895 3.812 0 40 IHAB O=C(Cn1c(=O)n(-c2ccccc2F)c(=O)c2sccc21)Nc1ccccc1Cl 57490328 WKDPPYMKSIIPSI-UHFFFAOYSA-N 429.860 3.645 0 40 IHAB O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)N1CCN(c2cccc(Cl)c2)CC1 61720968 YJYGIODRRDZROZ-UHFFFAOYSA-N 443.334 3.566 0 40 IHAB Cc1c(C(=O)NC2CCCCCC2)nnn1-c1cccc2c1CCN(C(=O)NC(C)C)C2 69843259 RXECDROZABBJSK-UHFFFAOYSA-N 438.576 3.504 0 40 IHAB O=C(NCC1CCN(C(=O)c2ccncc2)CC1)C1c2ccccc2Oc2ccccc21 70926126 ARLNPLRUJZSLQY-UHFFFAOYSA-N 427.504 3.988 0 40 IHAB COc1ccc(-c2noc(CN3CCN(CCOc4ccc(SC)cc4)CC3)n2)cc1 72304842 NFJBDKGZHXYXLQ-UHFFFAOYSA-N 440.569 3.664 0 40 IHAB CC(=O)Nc1cc(NC(=O)NC[C@@H]2[C@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)ccc1C 72314444 FIRCOTVNRJEDPO-KBXCAEBGSA-N 434.537 3.835 0 40 IHAB Cc1sc(Br)cc1S(=O)(=O)Nc1ccc(-c2nnc(N(C)C)o2)cc1 89536637 ZNPSIUBDZIFNRA-UHFFFAOYSA-N 443.348 3.736 0 40 IHAB O=C(Cc1ccc2c(c1)OCO2)N1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 95367778 RNBMFODVPQTCJU-UHFFFAOYSA-N 441.837 3.764 0 40 IHAB C/C=C/c1ccc(OCC(=O)Nc2ccc(C(=O)N3CCC(CO)CC3)cc2)c(OC)c1 97000368 XWEICFJFJDIKPA-ONEGZZNKSA-N 438.524 3.590 0 40 IHAB COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccc(OC)cc2)cc1 100840677 YXULWJUBTNSZEX-ZLNRFVROSA-N 430.460 3.755 0 40 IHAB CCOCCn1/c(=N/C(=O)c2ccccc2Cl)sc2cc(S(C)(=O)=O)ccc21 100873562 UVGPRFUYQMFRGL-VZCXRCSSSA-N 438.958 3.537 0 40 IHAB C[C@H](NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(Cl)cc1 109323914 YPNMTWBEICWKKK-INIZCTEOSA-N 436.961 3.771 0 40 IHAB COc1ccc(CNC(=O)N2CCC[C@@H](Cc3nc(-c4ccsc4)no3)C2)cc1OC 207017288 RICWGIABFIWMRN-INIZCTEOSA-N 442.541 3.980 0 40 IHAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1 219967239 NSUGUUAUHMXMBK-OAQYLSRUSA-N 442.581 3.953 0 40 IHAB COC(=O)c1ccc(NC(=O)CCNC(=O)c2ccc3c(c2)nc(Cl)n3C(C)C)cc1 222549735 NIDUNBVICCIEBH-UHFFFAOYSA-N 442.903 3.816 0 40 IHAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(OC)cc1 223083566 VKBJOOGEALILEY-VWLOTQADSA-N 446.547 3.850 0 40 IHAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccn(-c3ccccc3)c2)N1CCCN1CCOCC1 223206080 YRPHDKCIEBBUQP-ZEQRLZLVSA-N 447.608 3.567 0 40 IHAB Cc1ccccc1CS(=O)(=O)N(C)Cc1nc(-c2cccc(Br)c2)no1 223639962 XPSWPBRKARTAJJ-UHFFFAOYSA-N 436.331 3.769 0 40 IHAB Cc1ccc(OCCNC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c(C)c1 223788719 BBLRRTMKYQPOGU-UHFFFAOYSA-N 445.368 3.571 0 40 IHAB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(C(=O)OC(C)C)ccc2OC)c1 223844092 SCRJUSAPMODEGT-UHFFFAOYSA-N 441.889 3.501 0 40 IHAB CS(=O)(=O)N(CC(=O)Nc1ccc(N2CCCC2)cc1)c1ccc(Cl)cc1Cl 224909897 DIMYIPRNDLQDLX-UHFFFAOYSA-N 442.368 3.998 0 40 IHAB CCn1c(=O)sc2cc(NC(=O)CN(c3ccc(C(C)C)cc3)S(C)(=O)=O)ccc21 225083014 ZBWJBWFFXJURIJ-UHFFFAOYSA-N 447.582 3.611 0 40 IHAB Cc1cc(OC2CN(C(=O)CCc3cccc(Oc4ccc(F)cc4)c3)C2)cc(=O)n1C 225696864 YJYBIVGCSSLAMH-UHFFFAOYSA-N 436.483 3.848 0 40 IHAB O=C(Nc1ccc2sncc2c1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 226077520 GXYUVVGQRAGCRU-ZDUSSCGKSA-N 435.958 3.989 0 40 IHAB CC(=O)c1cccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)C(=O)c2ccccc2)c1 226389666 MTRDJRREEWGBFT-WVYLNQBTSA-N 440.499 3.547 0 40 IHAB CCOC(=O)[C@@H]1C[C@H]2C(Cl)=C[C@@]13[C@H]1Cc4ccc(OC)c5c4[C@@]3(CCN1C)[C@]2(C)O5 253505128 QFJCSTJNJZNCPB-GUPBOFLPSA-N 429.944 3.666 0 40 IHAB biogenic,in-vitro C[C@H]1CCC[C@H](C)N1C(=O)c1c[nH]nc1C1CCN(C(=O)Cc2cccc(F)c2)CC1 257227445 FPHWNUNTAYKBES-IRXDYDNUSA-N 426.536 3.901 0 40 IHAB Cc1cc(C)nc(Nc2ccc([C@@H]3CN(C(=O)CCCc4ccccn4)CCO3)nc2)n1 257322518 WGHGHXQCTQYGSU-QFIPXVFZSA-N 432.528 3.550 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](C)c3ccc(Cl)cc3)C2)cc1 260613114 CTCMFFKFAQANFP-NVXWUHKLSA-N 436.961 3.627 0 40 IHAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)cc1OC 260793232 HNMKPLMODYOEAD-AFCPICOJSA-N 426.538 3.841 0 40 IHAB COc1ccc(NC(=O)[C@@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c(OC)c1 408558702 SFMGJCPXCBJMBX-LLVKDONJSA-N 447.340 3.804 0 40 IHAB O=C(NCc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 408589217 DZTXFLHVKVIWKD-OAQYLSRUSA-N 428.941 3.546 0 40 IHAB COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)N3CCCCCC3)cc2)c1 408593652 MYXHAIYEFJIIFG-UHFFFAOYSA-N 433.530 3.913 0 40 IHAB CCC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1C 408616542 AFVFWEJYBHLSOT-GOSISDBHSA-N 430.570 3.820 0 40 IHAB COc1ccc(NC(=O)COC(=O)CN(Cc2ccccc2)Cc2ccccc2)c(OC)c1 408663696 BEPUISOEZSWFBL-UHFFFAOYSA-N 448.519 3.888 0 40 IHAB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3ccccc3Cl)C(=O)[C@@H]2C1 408665021 ZGNTUXKPZSCBJW-IEBWSBKVSA-N 436.895 3.921 0 40 IHAB Cc1cccc(C)c1NC(=O)COC(=O)c1ccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 408668156 UYZBJDZIYZJVKZ-BGYRXZFFSA-N 432.476 3.555 0 40 IHAB COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(OC)ccc3OC)cc2)cc1 408907491 PGCQDWCZZHNLCM-UHFFFAOYSA-N 442.493 3.766 0 40 IHAB Cc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(F)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 409071921 QKRNPVOHBVULID-VTPLCQIWSA-O 436.894 3.804 0 40 IHAB COc1cc(NC(=O)N2CC[C@@H]3CN(c4cc(C(F)(F)F)ccn4)C[C@H]32)cc(OC)c1 1889201642 ZGKXDZAQTPXMFB-FZKQIMNGSA-N 436.434 3.860 0 40 IHAB COc1ccc(-c2csc3ncn(CC(=O)NCCc4ccccc4)c(=O)c23)cc1OC 646365 LBCMROFLQVLODO-UHFFFAOYSA-N 449.532 3.501 0 40 IHAB CCCn1c2ccccc2c2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)nc21 720019 MRGONLXKBOFHRW-UHFFFAOYSA-N 435.509 3.892 0 40 IHAB COc1ccccc1NC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1 2621451 WBNPANYCACOLAU-UHFFFAOYSA-N 426.494 3.781 0 40 IHAB Cc1c(-n2c(S)nnc2-c2ccccc2Br)c(=O)n(-c2ccccc2)n1C 3308234 WGEWNEAJQFTEID-UHFFFAOYSA-N 442.342 3.783 0 40 IHAB COc1cc([C@H]2C(C(N)=O)=C(C)N=C3N=CNN32)ccc1OCc1ccc(C(C)(C)C)cc1 8717599 KXWUASOKXYIAIQ-QFIPXVFZSA-N 447.539 3.590 0 40 IHAB O=C(OCc1cnc(-c2ccccc2)s1)c1ccc(S(=O)(=O)N2CCCC2)cc1 9128473 JXWGXLPSGHKOJF-UHFFFAOYSA-N 428.535 3.952 0 40 IHAB CCCc1nnc2n1N[C@H](c1ccc(OC)cc1)[C@@H](C(=O)Nc1ccccc1F)S2 9239106 VUZHNTIDJBJOQP-MOPGFXCFSA-N 427.505 3.776 0 40 IHAB CCOC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c(NC(=O)CC(C)C)scc12 9381643 XWMYTHSTOPQMQN-UHFFFAOYSA-N 429.498 3.617 0 40 IHAB C[C@H](Sc1nnc(COc2ccc3c(c2)CCCC3)n1C)C(=O)Nc1nccs1 9426795 WGFNQNIRNQAKEK-ZDUSSCGKSA-N 429.571 3.849 0 40 IHAB CC(C)c1ccccc1OCC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 9460259 BJAGAHCAFBGHKO-UHFFFAOYSA-N 442.581 3.953 0 40 IHAB Cc1cccc2nc(CSc3nnc(-c4cccs4)n3C[C@@H]3CCCO3)cc(=O)n12 9634128 XGWFPIFBPUIWQZ-INIZCTEOSA-N 439.566 3.794 0 40 IHAB CC[C@@H](C)[C@@H](C(=O)OCc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 9665388 JBYQLYUPAYOHQD-XMSQKQJNSA-N 431.554 3.581 0 40 IHAB CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1OCC 9739430 SNMMVMPKCYCCLI-UHFFFAOYSA-N 444.509 3.808 0 40 IHAB CCN(CC)CCn1c2c(c(SCC(=O)Nc3ccc(C)c(F)c3)nc1=O)CCCC2 9747220 WKXOOOURGRMHOJ-UHFFFAOYSA-N 446.592 3.642 0 40 IHAB O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl)NCc1ccccc1 9851148 DXIMUIZSDYLJJM-UHFFFAOYSA-N 444.940 3.514 0 40 IHAB CCOC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)c1C 10443644 QDNZOAMSEYGWQB-UHFFFAOYSA-N 430.526 3.517 0 40 IHAB Cc1cc(=O)c(C(=O)N(C)Cc2ccccc2N2CCCCC2)nn1-c1ccccc1F 10899828 YXQPIXNFTICXIV-UHFFFAOYSA-N 434.515 3.943 0 40 IHAB CCOCCCN1C(=S)N[C@H](c2cccc(F)c2)C(C(=O)Nc2cc(C)on2)=C1C 11558506 VKZZAFBIMZIVPQ-LJQANCHMSA-N 432.521 3.693 0 40 IHAB CCN1CCc2c(sc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)c2C(N)=O)C1 11667752 QLVCRARCLBRHTH-UHFFFAOYSA-N 433.533 3.708 0 40 IHAB Cc1cc(=O)n2c(-c3ccc(NS(=O)(=O)c4ccc(F)cc4F)cc3)csc2n1 11696428 HNQPJIOFJDEBQV-UHFFFAOYSA-N 433.461 3.810 0 40 IHAB O=S1(=O)N[C@@H](C2CCN(Cc3ccccc3N3CCCCC3)CC2)Nc2ccccc21 12089492 YDHVETMHZIQPRM-DEOSSOPVSA-N 440.613 3.619 0 40 IHAB CC[C@H](Oc1ccccc1F)C(=O)N1CCC(c2noc(-c3cnc(C)cn3)n2)CC1 12187492 CMQIAJRMGLOQNZ-SFHVURJKSA-N 425.464 3.538 0 40 IHAB COC(=O)c1c(C)[nH]c(C(=O)COC(=O)CCc2ncc(-c3ccc(F)cc3)o2)c1C 12263879 XJENWRCFENNJAX-UHFFFAOYSA-N 428.416 3.571 0 40 IHAB COc1cc([C@@H]2c3cccn3CCN2S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC 12361779 CQJJLXRZEWWVSS-JOCHJYFZSA-N 442.537 3.616 0 40 IHAB C[C@]1(c2ccccc2)C[C@H](Nc2ccc(I)cc2C(=O)O)C(=O)O1 12402139 BUPYJCMKAHHTOT-MAUKXSAKSA-N 437.233 3.632 0 40 IHAB biogenic,in-vitro COc1ccc(-c2noc(C3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)n2)cc1OC 12415219 NSLRTZULTYBKKU-UHFFFAOYSA-N 443.525 3.631 0 40 IHAB COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2csnn2)C2CCCC2)cc1 12873456 KLXUFMFOFLSYJL-FQEVSTJZSA-N 428.558 3.732 0 40 IHAB COc1cc(NC(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc(OC)c1OC 12982203 DJIDXKBPMFIACB-SFHVURJKSA-N 442.512 3.649 0 40 IHAB Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 13005186 AIMZRADAPWCNJO-UHFFFAOYSA-N 444.578 3.641 0 40 IHAB Cc1c(NC(=O)COC(=O)c2ccc(Cl)cc2Cl)c(=O)n(-c2ccccc2)n1C 13149135 KMEGLPABZIYOIZ-UHFFFAOYSA-N 434.279 3.587 0 40 IHAB CC[C@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NC1CCCC1 13556902 ZKDFEQXJJGTFOU-GFBHRSBTSA-N 443.613 3.625 0 40 IHAB COc1cccc(N(CC(=O)N2CCCc3ccccc32)S(=O)(=O)c2ccccc2)c1 13647382 SOOGPWWNNRWLAK-UHFFFAOYSA-N 436.533 3.870 0 40 IHAB CCS(=O)(=O)N1C[C@@H](C(=O)NC(c2ccccc2)c2ccccc2)Oc2ccccc21 13682475 CMKCAMPEMNTOLM-QFIPXVFZSA-N 436.533 3.510 0 40 IHAB COc1ccc(NC(=O)[C@@H]2C[C@H]3CCCN3[C@@]23C(=O)Nc2c(Cl)cc(C)cc23)cc1 15972128 FSXFFARJUOASMZ-KFCXZAFISA-N 425.916 3.927 0 40 IHAB CCCn1nc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2OC(F)F)c2ccccc2c1=O 16824885 BYRSNTXTOVPUEZ-ZDUSSCGKSA-N 445.422 3.592 0 40 IHAB COc1ccccc1OCC(=O)N1CCC[C@@H]([C@@H]2C[C@H](C(F)F)n3nc(C)cc3N2)C1 19127956 IBQJNICVPKBCSK-IXDOHACOSA-N 434.487 3.508 0 40 IHAB Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@H]1CCCN(C(=O)CSc3nc(C)c(C)o3)C1)N2 19127978 WKFGQPJJQDQIHN-HRCADAONSA-N 439.532 3.818 0 40 IHAB COc1ccc(CN(C)CC(=O)N2CCCC[C@@H]2c2n[nH]cc2-c2ccncc2C)cc1 19239566 ACRSVKPQXVHDML-HSZRJFAPSA-N 433.556 3.974 0 40 IHAB CC(=O)N1C[C@H](c2ccc(CN(C)Cc3ccc4ncccc4c3)cc2)[C@@H](C(=O)N(C)C)C1 19699237 GJWQUPVYVHBIOE-RPBOFIJWSA-N 444.579 3.517 0 40 IHAB CNc1nc([C@H]2CCCCN2C(=O)c2oc3ccccc3c2C)nc2c1CCN(C(C)=O)C2 19708563 VGZZWGIWWBAGQI-HXUWFJFHSA-N 447.539 3.845 0 40 IHAB Cc1nc([C@@H]2CCCN2C(=O)Cc2ccc3c(c2)CCCO3)nc2c1CC(=O)N2CC(C)C 19744185 UDQHSLHNPXTFMB-NRFANRHFSA-N 448.567 3.561 0 40 IHAB Cc1nc([C@@H]2CCCN(C(=O)c3ccccc3)C2)ncc1C(=O)NCc1ccc(F)cc1 19751947 WUSWBMBEWQUPPQ-HXUWFJFHSA-N 432.499 3.874 0 40 IHAB CC(C)CNC(=O)c1cc([C@H]2CN(C(=O)c3ccnn3C(C)C)CCO2)nc2ccccc12 19759679 JFPIGALGUFBRCX-HSZRJFAPSA-N 449.555 3.612 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)N[C@@H](C)c1ccc(SC)cc1 20015708 LGIZIVKOAWONBF-ZDUSSCGKSA-N 442.990 3.568 0 40 IHAB CC[C@@H](NC(=O)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1)c1ccccc1 20487986 YHWMKLZQZMNMDR-HSZRJFAPSA-N 428.598 3.929 0 40 IHAB CCc1nnc2sc(-c3cccc(NC(=O)c4cncc(Br)c4)c3)nn12 20609608 ZEWKDSMCOOODSS-UHFFFAOYSA-N 429.303 3.825 0 40 IHAB CCCC(=O)Nc1ccccc1C(=O)OCc1cc(=O)n2c3c(sc2n1)CCCC3 21633609 GZOPNOFUILPDIQ-UHFFFAOYSA-N 425.510 3.730 0 40 IHAB COc1ccc(N(CC(=O)N[C@H](C)c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 22428682 GYLZRYHITOHDKL-QGZVFWFLSA-N 442.512 3.907 0 40 IHAB Nc1nc(CN2CCN(C/C=C/c3ccccc3)CC2)nc(Nc2ccc(Cl)cc2)n1 22801768 JOQUDQFUXWGXSH-QPJJXVBHSA-N 435.963 3.682 0 40 IHAB COc1ccc(-c2noc(CN3CCN(CC(=O)c4c(C)[nH]c5ccccc45)CC3)n2)cc1 23185558 SGZFDYACYOURNP-UHFFFAOYSA-N 445.523 3.535 0 40 IHAB Cc1cccn2c(=O)cc(COC(=O)c3ccc4c(c3)C[C@H](c3ccccc3)OC4=O)nc12 23267659 XMBBECIQGLEJCI-JOCHJYFZSA-N 440.455 3.814 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)Cc2coc(-c3ccccc3)n2)c1 27447862 DERLBGBYEDCPFY-UHFFFAOYSA-N 443.525 3.562 0 40 IHAB Cc1nc(-c2ccc(F)cc2)c(CC(=O)NCc2ccc(CN3CCOCC3)cc2)s1 30015526 TWGUYINBGXVYKJ-UHFFFAOYSA-N 439.556 3.949 0 40 IHAB Cc1nc2ccc(Cl)cc2cc1C(=O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 32237333 YIECOVHLCKITNP-UHFFFAOYSA-N 437.927 3.926 0 40 IHAB COc1ccc(-c2nnc([C@@H](C)OC(=O)CCS(=O)(=O)c3ccc(C)cc3)o2)cc1 32745136 HTFNJUJVNZKBJF-OAHLLOKOSA-N 430.482 3.522 0 40 IHAB COc1ccc(OC)c(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)CC3)c1 33088994 GNOKMJNYQJRXNE-UHFFFAOYSA-N 429.270 3.590 0 40 IHAB CCOc1cccc(CNC(=O)c2sccc2N(C)S(=O)(=O)c2ccccc2)c1 33141710 SBOXLEVLVNDHGA-UHFFFAOYSA-N 430.551 3.902 0 40 IHAB Cc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)n1 35352152 PZHFJPUAQXGNJB-OQLLNIDSSA-N 432.299 3.828 0 40 IHAB O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 36391161 ZCLREDSYYKHWEJ-FQEVSTJZSA-N 441.484 3.805 0 40 IHAB O=S(=O)(NCCCN1CCO[C@H](c2ccccc2)C1)c1cc(Cl)ccc1Cl 36700235 UXJQMZBWHJKVER-SFHVURJKSA-N 429.369 3.735 0 40 IHAB COc1ccc(N2CN(C[C@@H]3CCCO3)Cn3c2nc(C)c(Cc2ccccc2)c3=O)cc1 38829979 VIEGALFNFKBFEN-QHCPKHFHSA-N 446.551 3.699 0 40 IHAB Cc1ccc(C)c(Oc2ccc(CNC(=O)c3ccc(=O)n(-c4ccccc4)n3)cn2)c1 40112455 ALMJRGFWGPMAMU-UHFFFAOYSA-N 426.476 3.967 0 40 IHAB COc1ccc([C@H]2C(C(=O)Nc3ccccc3Cl)=C(C)Nc3ncnn32)cc1OC 40484526 JSUTURKEKDZUJA-IBGZPJMESA-N 425.876 3.876 0 40 IHAB COc1ccc(S(=O)(=O)Oc2ccc(/C=C3\N=C(c4ccccc4)OC3=O)cc2)cc1 41082771 LIMRIHIAPWBHAG-QNGOZBTKSA-N 435.457 3.807 0 40 IHAB Cc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)Nc1ccc(F)cc1 46027412 YKBJRWDAVZWICE-UHFFFAOYSA-N 427.501 3.574 0 40 IHAB Cn1cnc(-c2ccccc2)c1NC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 58157699 RHCZLBMIMSTQMU-HNNXBMFYSA-N 439.313 3.841 0 40 IHAB CCc1noc([C@@H](C)N2CCN(S(=O)(=O)c3c(C)cc(C(C)(C)C)cc3C)CC2)n1 58647010 UBSFXNVIEDAWOS-QGZVFWFLSA-N 434.606 3.614 0 40 IHAB Cc1ccc(C(=O)NC[C@H]2CCN(c3cc(Cl)ccc3C)C2)cc1NS(C)(=O)=O 60366169 WXSYRXSJBAQJOQ-MRXNPFEDSA-N 435.977 3.585 0 40 IHAB COc1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2-c2ccc(F)cc2)cc1 67237371 PJNVLNLVAXCVJE-UHFFFAOYSA-N 438.484 3.901 0 40 IHAB CC[C@H](C)n1c(SCC(=O)N[C@H](C)c2cccc(OC)c2)nc2cc(C)[nH]c2c1=O 67299605 IZDZPOOUBVNHTC-LSDHHAIUSA-N 428.558 3.982 0 40 IHAB Cc1noc(-c2ccnc(-n3cnc(C(=O)NCc4ccccc4C(F)(F)F)c3)c2)n1 71768371 ZWUKLMHGHRFRFK-UHFFFAOYSA-N 428.374 3.575 0 40 IHAB NC(=O)c1cccc(-c2nccnc2[C@H]2CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)c1 72358977 GUNKHVWHYMJSJN-IBGZPJMESA-N 439.519 3.673 0 40 IHAB Cc1cc(C)cc(O[C@H](C)C(=O)N2CCC([C@@H]3C[C@H](C(F)F)n4ncnc4N3)CC2)c1 72395665 HOCKINJAYRCVNY-AYOQOUSVSA-N 433.503 3.591 0 40 IHAB CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@]12NC(=O)N(CCCOc1ccc(F)cc1)C2=O 95405520 KWZCAMFASZLIQG-HJPURHCSSA-N 449.523 3.600 0 40 IHAB COc1ccc(CN2[C@@]3(CCN(C(=O)c4ccccc4)C3)c3ccccc3S2(=O)=O)cc1 96261974 NRZUBSHZKDHQNX-RUZDIDTESA-N 448.544 3.641 0 40 IHAB CC(C)CS(=O)(=O)C1CCN(C(=O)c2ccccc2C(=O)c2ccc(F)cc2)CC1 96374487 GGJAPHURDOQLGM-UHFFFAOYSA-N 431.529 3.732 0 40 IHAB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)c1)c1ccc(Cl)cc1 100555653 VXTQJGWQXOUNOF-PBFVBANWSA-N 437.879 3.915 0 40 IHAB O=C1[C@H]2C(c3ncc(C(F)(F)F)cc3Cl)=NO[C@H]2C(=O)N1c1ccc(Cl)cc1 100923323 HDGRGYIOPAXWKP-SMDDNHRTSA-N 430.169 3.700 0 40 IHAB CC(=O)NC12C[C@@H]3C[C@@H](C1)CC(C(=O)OCCOc1cccc(Br)c1)(C3)C2 102223016 WJAORBDSAGSDPV-AJHHTPGJSA-N 436.346 3.846 0 40 IHAB CC(=O)O[C@H]1C[C@@H]2[C@H](C[C@H](OC(C)=O)[C@]3(C)CC[C@H](OC(C)=O)[C@@H]23)[C@@]2(C)CCC(=O)C[C@H]12 123379722 AEBGBTLRZFVRJG-VPCCBVPZSA-N 448.556 3.613 0 40 IHAB CCOC(=O)c1cccc(NC(=O)[C@H](C)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)c1 220369541 NVESLZCSCIGDRH-AWEZNQCLSA-N 438.933 3.618 0 40 IHAB O=C(CSCc1ccc(Br)cc1)NCc1ccc(CN2CCOCC2)cc1 224541928 LTHZYLPXCGZPTO-UHFFFAOYSA-N 449.414 3.831 0 40 IHAB CCOC(=O)CN(c1cc(C(=O)OCC)ccc1C)S(=O)(=O)c1ccc(Cl)cc1 224720062 KPVQINFCFSTXSX-UHFFFAOYSA-N 439.917 3.584 0 40 IHAB COc1ccc(C2(C(=O)N3CCC[C@](C(=O)N(C)C)(c4ccccn4)C3)CCCCC2)cc1 257215986 CSOUOFWUTJRCNU-HHHXNRCGSA-N 449.595 3.941 0 40 IHAB CCc1n[nH]c(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4N(C(C)=O)[C@@H]3Cc2ccccc2)c1C 257248608 JEKLWKOKCISRDH-KDHQNNTKSA-N 434.584 3.896 0 40 IHAB Cc1cccc(CC(=O)N2CCC[C@@H](c3nc(C)c(CC(=O)NC4CCCC4)c(C)n3)C2)c1 257249293 JHOHBDIVNCDVIF-JOCHJYFZSA-N 448.611 3.952 0 40 IHAB CSc1ccccc1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 408605806 NMUSWBJNCGCFGD-FQEVSTJZSA-N 426.563 3.937 0 40 IHAB CS(=O)(=O)N(CCCC(=O)Nc1cccc(C(F)(F)F)c1)c1ccc2c(c1)OCO2 408703376 FNBUGGOBOVKOPG-UHFFFAOYSA-N 444.431 3.619 0 40 IHAB CS(=O)(=O)N(CC(=O)NCCSCc1ccc(Cl)cc1Cl)c1ccccc1 408927550 XBAXRRBLXXBKSX-UHFFFAOYSA-N 447.409 3.809 0 40 IHAB CCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(Cl)c3)CC2)cc1 409340968 BQKBKZZZMYQOJV-UHFFFAOYSA-N 436.961 3.950 0 40 IHAB O[C@H]1CCN(C[C@]2(O)CC[C@@H](c3ccccc3)CC2)C[C@]1(O)COc1cccc(Cl)c1 585284921 AWMSDFXYXIYTPJ-OXCBMLQPSA-N 445.987 3.605 0 40 IHAB COc1cc2c(cc1OC)CN(C(=O)[C@@H](c1ccccc1)N1Cc3ccccc3C1=O)CC2 1565534657 BOSQBKSGHJIMNU-RUZDIDTESA-N 442.515 3.986 0 40 IHAB Cc1ccc(OC[C@]2(O)COCCN(C[C@]3(O)CC[C@@H](c4ccccc4)CC3)C2)cc1 2037949760 OQJWBIJSSRULAY-DMTNHVFBSA-N 425.569 3.526 0 40 IHAB O=C(NCc1ccccc1)c1nc2c(s1)CCN(C(=O)c1cccc(Cl)c1)CC2 2055793536 QZQZABZNRMVRGO-UHFFFAOYSA-N 425.941 3.968 0 40 IHAB COc1ccc(CN2CN(S(=O)(=O)c3cccs3)c3nc4ccccc4nc32)cc1 2234712 VYKFLUZWZLUUOY-UHFFFAOYSA-N 438.534 3.873 0 40 IHAB CCc1ccc([C@@H]2[C@@H](C(=O)OC(C)(C)C)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OC(C)(C)C)cc1 2327566 AHHPOYJXGWZWQZ-GFTAFNIFSA-N 432.557 3.972 0 40 IHAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Oc3ccc4c(c3)OCO4)c2)cc1 2618179 QFPWSLTUMDGYTA-UHFFFAOYSA-N 425.462 3.768 0 40 IHAB O=C(CSc1nc2c(c(=O)n1-c1ccc(F)cc1)SCC2)OCc1ccccc1 2719971 SDWPIBTZVVUTIT-UHFFFAOYSA-N 428.510 3.855 0 40 IHAB CCOC(=O)CSc1nnc(CNC(=O)c2cccc(C)c2)n1-c1cc(C)ccc1C 2724073 LCGJXTJRHVRBLH-UHFFFAOYSA-N 438.553 3.778 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)N(CC(=O)NC2CC2)c2cccc(C(F)(F)F)c2)c1 3253110 UYLDGRDXJIKBIM-UHFFFAOYSA-N 426.460 3.796 0 40 IHAB COc1cccc(-n2c(=O)c3ccccc3n3c(SCc4c(C)noc4C)nnc23)c1 3358973 YPGTVYOAPSVKGA-UHFFFAOYSA-N 433.493 3.939 0 40 IHAB COc1cc(NC(=O)c2ccco2)c(C(=O)OCC(=O)Nc2cccc(C)c2)cc1OC 3369986 MCJPEARYCDJIKQ-UHFFFAOYSA-N 438.436 3.653 0 40 IHAB CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc(OCc2ccc(C(=O)OC)cc2)cc1 3418965 NTACZQJUYVGNTF-OAQYLSRUSA-N 438.480 3.585 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1 3445438 OKFJCAPLSDKXBR-UHFFFAOYSA-N 449.492 3.999 0 40 IHAB CCOCCCn1c(SCC(=O)Nc2ccc(OC)cc2)nc2ccccc2c1=O 3500328 HNWMDUCZMOSHRA-UHFFFAOYSA-N 427.526 3.563 0 40 IHAB CCCOc1ccc(/C=c2\sc3nc(-c4ccccc4OC)nn3c2=O)cc1OCC 3637357 DMKUELISZOFDBA-ZHZULCJRSA-N 437.521 3.562 0 40 IHAB Cc1cc(OCC(=O)NC2CC(C)(C)NC(C)(C)C2)c2c3c(c(=O)oc2c1)CCCC3 6658634 CRWCPYDDVQWEHM-UHFFFAOYSA-N 426.557 3.784 0 40 IHAB COCCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nc2ccccc2c1=O 6905324 AIPZUAJITKZZBW-UHFFFAOYSA-N 437.443 3.793 0 40 IHAB O=C(NC1CC1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccc(-c3ccccc3)cc2)nn1 8299321 BGAKYQBRRNZQRU-JRFVFWCSSA-N 427.552 3.601 0 40 IHAB biogenic,in-vitro COc1cccc2sc(NC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)nc12 8598783 WFMLJWMWQCIDMK-UHFFFAOYSA-N 445.566 3.978 0 40 IHAB aggregator Cc1cc(C)c(S(=O)(=O)NC[C@@H](c2ccco2)S(=O)(=O)c2cccs2)c(C)c1 8601889 UALYTDJUNZYLGC-KRWDZBQOSA-N 439.580 3.760 0 40 IHAB COc1ccc(NC(=O)Nc2ccccc2OCc2cc(=O)n3ccccc3n2)c(OC)c1 8619679 RTPHQMZKTVJSGJ-UHFFFAOYSA-N 446.463 3.935 0 40 IHAB COc1ccc(C(=O)Nc2ccc3nc(SCC(=O)N4CCOCC4)sc3c2)cc1 8673872 KJKWGOZNENTXBF-UHFFFAOYSA-N 443.550 3.508 0 40 IHAB Cc1csc(SCC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2Cl)n1 8687163 CZTUAOQFTTUZKZ-UHFFFAOYSA-N 431.992 3.620 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)COC(=O)/C=C/c2ccc3c(c2)OCO3)cc1 8825041 GKVYWCWUQUZQJD-VZUCSPMQSA-N 425.437 3.567 0 40 IHAB C[C@H](OC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)c1ccc2c(c1)CCC2 8884644 UEOJQADMRODAIN-KRWDZBQOSA-N 441.549 3.778 0 40 IHAB COc1ccc(OC)c([C@@H]2Oc3ccccc3C3=C2[C@@H](c2cccnc2)N2N=CNC2=N3)c1 9291930 UEEWQXWRWFFPTO-RPWUZVMVSA-N 439.475 3.903 0 40 IHAB CCCCN1C(=O)[C@@H]2[C@@H]3C=Cc4ccccc4N3[C@H](C(=O)Nc3ccc(Cl)cc3)[C@@H]2C1=O 9305809 WZBOSIJWIIQYLD-CBPXPLCBSA-N 449.938 3.964 0 40 IHAB Cc1cc(O[C@@H](C)C(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)cc(C)c1Cl 9457204 VPAWLTJPTXDTBZ-HKUYNNGSSA-N 435.973 3.940 0 40 IHAB CCOC(=O)c1c(NC(=O)CSc2nnc3[nH]c4ccccc4n23)sc(C)c1C 9588539 DPRRUIVKIYQSCV-UHFFFAOYSA-N 429.527 3.796 0 40 IHAB O=C(NCCc1c[nH]c2ccccc12)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 9728883 AZCXIKCQZABWFW-UHFFFAOYSA-N 445.544 3.892 0 40 IHAB Cc1ccc(-c2noc(CCCCCNS(=O)(=O)c3ccc4c(c3)OCCO4)n2)cc1 9955218 JBKBXIRTEODAED-UHFFFAOYSA-N 443.525 3.508 0 40 IHAB Cc1cc(C)n(CCc2nc3c4ccccc4n(Cc4ccc(Cl)cc4)c(=O)n3n2)n1 9960258 NCLMQUWNULCHEK-UHFFFAOYSA-N 432.915 3.802 0 40 IHAB COc1ccc([C@@H](CNC(=O)COc2ccc(Br)cc2)N2CCCC2)cc1 12062764 AAQLMSDNAFQARB-HXUWFJFHSA-N 433.346 3.790 0 40 IHAB C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@H](c2nc3ccc(F)cc3cc2C(N)=O)C1 12219696 AVEWNHAOVKSIOU-GJZGRUSLSA-N 439.462 3.785 0 40 IHAB CC(C)c1cc(C(=O)N[C@H]2CC(C)(C)Cc3nc(N4C[C@H](C)O[C@H](C)C4)ncc32)no1 12240963 SJHRWJPRWGFDNT-DAYGRLMNSA-N 427.549 3.645 0 40 IHAB CCCC[C@@]1(C(=O)OC)N[C@@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 12497374 ULJQRIQFIWZTKL-IMIIHFCZSA-N 434.536 3.856 0 40 IHAB COc1cc(OC)cc([C@@H](NC(=O)Cc2nc(-c3ccccc3)oc2C)c2nccn2C)c1 12578286 ZYLCSXQKTKTUHZ-HSZRJFAPSA-N 446.507 3.849 0 40 IHAB CC1(C)Oc2ccc(C(=O)NC3CCCCC3)cc2N(CC(=O)NC2CCCCC2)C1=O 12875291 MAXZNGPKSRZJFO-UHFFFAOYSA-N 441.572 3.702 0 40 IHAB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NC2CC(C)(C)NC(C)(C)C2)c1 12906601 WAGXUCHOGZSLIZ-UHFFFAOYSA-N 429.586 3.551 0 40 IHAB Cc1c(NC(=O)[C@H](C)OC(=O)c2ccc(Cl)c(Cl)c2)c(=O)n(-c2ccccc2)n1C 13149133 KBTDLTYGLYHOAU-ZDUSSCGKSA-N 448.306 3.975 0 40 IHAB CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2ccco2)CC3)cc1F 13696634 LECHAEGXBUXHKS-UHFFFAOYSA-N 430.457 3.821 0 40 IHAB Cc1ccc([C@H](CN2CCOCC2)NC(=O)c2cc(C3CC3)nn2-c2ccccc2)cc1 14115381 XBIHBEPWSKNFIK-DEOSSOPVSA-N 430.552 3.861 0 40 IHAB COc1ccc(/C=C/C(=O)N[C@H]2CCCC[C@H]2NC(=O)/C=C/c2ccc(OC)cc2)cc1 15225977 SXFGUCSRGRKPQZ-XAPNIQHSSA-N 434.536 3.974 0 40 IHAB O=C1c2ccccc2N[C@H](c2cc(Br)c3c(c2)OCO3)N1C[C@@H]1CCCO1 15503796 BOHMAYFVEBJQKT-DJJJIMSYSA-N 431.286 3.923 0 40 IHAB CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CC[C@@H]4CCCC[C@@H]4C3)CC2)c1 15590115 QJSHHDQTASZPBQ-VLCRHTCISA-N 446.613 3.765 0 40 IHAB Cc1cc(Br)c(NC(=O)CSc2nnc(-c3ccncc3)n2C)cc1C 16267949 FELJLXIZLCPZQO-UHFFFAOYSA-N 432.347 3.987 0 40 IHAB COc1ccc([C@@H]2CCCN2CC(=O)N(C)CC(=O)Nc2ccccc2Cl)c(OC)c1 16382282 RTLOMBFIVNVGQV-FQEVSTJZSA-N 445.947 3.591 0 40 IHAB COc1ccc(Nc2nnc(SCC(=O)c3c[nH]c(C(=O)N4CCCC4)c3)s2)cc1 16629857 WPSKKOXXTKANNA-UHFFFAOYSA-N 443.554 3.829 0 40 IHAB O=C(Nc1cccc(F)c1)c1sccc1S(=O)(=O)N1CCN(c2ccccc2)CC1 16846357 XCHRZMSULCHFIA-UHFFFAOYSA-N 445.541 3.650 0 40 IHAB COC(=O)c1cc(C(C)C)nc2c1c(-c1ccc(C)cc1)nn2[C@H]1CCS(=O)(=O)C1 16850678 CJRIZLWUPMXKHX-INIZCTEOSA-N 427.526 3.676 0 40 IHAB CCCCCCn1c(=O)c2c(nc3n(-c4ccc(C(C)=O)cc4)c(C)c(C)n23)n(C)c1=O 17269935 OMXYSCCTQPPMHV-UHFFFAOYSA-N 435.528 3.538 0 40 IHAB Cc1ccc(O[C@@H](C)C(=O)N[C@H](Cc2c[nH]c3ccccc23)c2cc(=O)[nH]c(C)n2)cc1 19210933 JOUAXNRKTQRHRP-KSFYIVLOSA-N 430.508 3.736 0 40 IHAB Cc1cc(C(=O)[C@H]([C@@H](c2ccccc2)N2CCOCC2)N2CCOCC2)ccc1Cl 19366133 ZIMMQXHOWGZONK-PKTZIBPZSA-N 428.960 3.605 0 40 IHAB CCN1CCN(C(=O)c2cnc(C)nc2C)C[C@H](Cc2ccccc2-c2cccs2)C1=O 19527745 LMYJKFQZRCOFQJ-FQEVSTJZSA-N 448.592 3.985 0 40 IHAB COc1ccc(CC(=O)N2CCC[C@@H]([C@@H]3C[C@H](C(F)F)n4nc(C)cc4N3)C2)cc1C 19571080 ZNUYSOOLHBRQQQ-CEXWTWQISA-N 432.515 3.980 0 40 IHAB CNC(=O)c1sc2ncccc2c1[C@H]1CN(Cc2cc3cccc(OC)c3o2)CCO1 19703254 YUXNRODRUHABDU-GOSISDBHSA-N 437.521 3.984 0 40 IHAB Cc1nc([C@H]2CCCCN2C(=O)COC(C)C)nc2c1CC(=O)N2CC1CCCCC1 19739632 DETSMUSCKNXJJW-HXUWFJFHSA-N 428.577 3.733 0 40 IHAB CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)/C=C/c1ccc(OC(F)F)cc1 21459704 JULQYBMRVLJFIO-FMIVXFBMSA-N 430.407 3.608 0 40 IHAB CC[C@H](NC(=O)CN(c1ccc(OC(C)C)cc1)S(C)(=O)=O)c1ccc(OC)cc1 22398274 DGWWCVADVUVNDU-NRFANRHFSA-N 434.558 3.516 0 40 IHAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N(C)C3CCCC3)cc2)cc1OC 22517421 WKULVOOBTNFQRC-UHFFFAOYSA-N 432.542 3.544 0 40 IHAB COc1ccc2sc(N(CCN3CCOCC3)C(=O)c3ccc(Cl)s3)nc2c1 22998358 LXTAKVFPLUNCFL-UHFFFAOYSA-N 437.974 3.999 0 40 IHAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 24225035 YNRNBZPZXLJFDP-UHFFFAOYSA-N 441.535 3.640 0 40 IHAB O=C(Cc1cc(Cl)c2c(c1)OCCO2)OCc1cc(=O)n2c(n1)sc1ccccc12 24778370 QGQHIXGWRKXTLG-UHFFFAOYSA-N 442.880 3.620 0 40 IHAB CSCC[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccco2)C1)c1nc2ccccc2[nH]1 25316835 IRQFNSAFRUTZOZ-QAPCUYQASA-N 426.542 3.619 0 40 IHAB O=S(=O)(Cc1c(Cl)cccc1Cl)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 26111024 NNKPEGOGBZQBPI-UHFFFAOYSA-N 449.381 3.720 0 40 IHAB CCN(C(=O)[C@@H](C)Nc1ccc2c(c1)c1ccccc1n2CC)[C@@H]1CCS(=O)(=O)C1 28908481 UWKBFDCBTKRPJV-SJLPKXTDSA-N 427.570 3.650 0 40 IHAB Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)cc1 30858723 CRMLAOBMPOYSQJ-NZQKXSOJSA-N 428.598 3.847 0 40 IHAB C[C@H](OC(=O)[C@H]1CCCN(c2ccc(Cl)nn2)C1)C(=O)Nc1ccc(F)cc1Cl 32913720 NGCIYIZNTYPTLE-RYUDHWBXSA-N 441.290 3.709 0 40 IHAB COc1cc(/C=C2/SC(=N)NC2=O)ccc1OC(=O)c1cccc(Br)c1 33693415 IZGMYIHXUJVHRK-OVCLIPMQSA-N 433.283 3.816 0 40 IHAB CCOc1c(I)cc(C(=O)Nc2cccc(OC)c2)cc1OC 33698615 OBCWAXXMKJGDDF-UHFFFAOYSA-N 427.238 3.959 0 40 IHAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)N[C@H](C)Cc1ccccc1Cl 40111960 OLLSRPRARXTUPX-SNVBAGLBSA-N 425.842 3.703 0 40 IHAB O=C(COc1ccccc1Cl)Nc1cc(-c2ccccc2)nn1[C@@H]1CCS(=O)(=O)C1 41024779 HQHNPCZDRSFHPA-MRXNPFEDSA-N 445.928 3.581 0 40 IHAB Cc1cccc(C(=O)Nc2ccccc2OCc2cc(=O)n3c(ncn3CC(C)C)n2)c1 41076912 XVQDEIJJHYFMNU-UHFFFAOYSA-N 431.496 3.687 0 40 IHAB CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccccc1Cl 44225503 JYRIJEYPSJPIQC-INIZCTEOSA-N 429.826 3.596 0 40 IHAB Cc1cc2nc(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)n(C)c(=O)c2[nH]1 57521331 RLUMVABYZPUTAD-UHFFFAOYSA-N 430.839 3.973 0 40 IHAB CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)Cc2csc(NC(=O)c3cccs3)n2)C1 58246507 BUXSEEQTUKJSOJ-LSDHHAIUSA-N 448.614 3.543 0 40 IHAB Cc1cc(C)c(NC(=O)CCCS(=O)(=O)[C@@H](C)C(=O)N2C[C@@H](C)C[C@@H](C)C2)c(C)c1 58935092 UJAHOXWCYZFTPY-QKLQHJQFSA-N 436.618 3.638 0 40 IHAB O=C(COc1ccc(Cl)cc1Cl)N1N=C(C(F)(F)F)C[C@@]1(O)C(F)(F)F 59192180 LDNQPZZPGZFHAA-LLVKDONJSA-N 425.112 3.774 0 40 IHAB O=C(CN(CCc1ccccc1)c1ccc(O)cc1)Nc1cccc(C(=O)NC2CC2)c1 72308363 VAWPZLLLAWMQCI-UHFFFAOYSA-N 429.520 3.972 0 40 IHAB Cn1ccc(C(=O)N2CCC3(CC2)C[C@@]2(CO3)Nc3cc(Cl)ccc3-n3cccc32)n1 72327350 SVTHVVVKACSDBF-QHCPKHFHSA-N 437.931 3.580 0 40 IHAB O=S(=O)(CCCc1ccccc1)N1CCC[C@@H](c2cccc(Nc3ncccn3)n2)C1 72376122 HOHAJJRHOHRWAV-HXUWFJFHSA-N 437.569 3.757 0 40 IHAB Cc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)NCc2cccc(Br)c2)s1 78903192 JYNPWQCUGCVUJE-KRWDZBQOSA-N 436.375 3.809 0 40 IHAB Cc1nn(C)c(C)c1[C@@H](NC(=O)[C@H](C)Oc1ccc(Br)cc1)C(F)(F)F 78968512 DMBUOKKGQRBEHD-XHDPSFHLSA-N 434.256 3.987 0 40 IHAB CCOc1cc(/C=C/C(=O)NCCc2nc(-c3ccccc3)nn2C)cc(Cl)c1OC 89990928 PKONGWVHCBZJHO-ZHACJKMWSA-N 440.931 3.915 0 40 IHAB Cc1nc(-c2ccccc2F)sc1CNC(=O)[C@H](C)n1nc(-c2ccco2)ccc1=O 90592955 FSQPSRFAKCEJGJ-AWEZNQCLSA-N 438.484 3.952 0 40 IHAB O=C(c1cc(=O)[nH]c2ccc(Br)cc12)N1CCN(c2cccc(Cl)c2)CC1 96097173 UZAHRMUBYOCMTE-UHFFFAOYSA-N 446.732 3.906 0 40 IHAB CC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H]2C[C@@H]3[C@H]3ON=C(c4ccccc4Cl)[C@H]23)cc1 100204622 OCLBEOGWDVALDN-YMLZRJAISA-N 434.879 3.717 0 40 IHAB CS(=O)(=O)N(CC(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2)c1cc(Cl)c(Cl)cc1Cl 100272632 QHWZGGCABNIIRM-RULNRJAQSA-N 425.765 3.718 0 40 IHAB Cc1ccc(N2C(=O)NC(=O)/C(=C(\NCc3ccc(F)cc3)Nc3ccccc3)C2=O)cc1 101382565 UNYOCNYDDWISNS-DQRAZIAOSA-N 444.466 3.830 0 40 IHAB COc1ccccc1C(=O)N1[C@H](C(=O)Nc2ccc(-n3cncn3)cc2)C[C@@H]2CCCC[C@@H]21 106860571 RNPNQAMQFIAFCP-HSQYWUDLSA-N 445.523 3.688 0 40 IHAB C[C@@H](SC(=S)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(=O)Nc1ccccc1Cl 113480524 ZAXUJUWHEXELPG-ILXRZTDVSA-N 448.013 3.966 0 40 IHAB COc1ccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3cccc(Cl)c3)n2)c(OC)c1 219293576 GCOJIUGZJAGAHF-ZDUSSCGKSA-N 431.876 3.833 0 40 IHAB CCOc1ccc(NC(=O)[C@@H](CC)N(c2cc(Cl)ccc2OC)S(C)(=O)=O)cc1 220755630 YIWUCNGNJJRCMC-QGZVFWFLSA-N 440.949 3.931 0 40 IHAB COc1ccc(N([C@@H](C)C(=O)NCc2ccc3ccccc3c2)S(C)(=O)=O)cc1Cl 222775908 XNMFREOTXMBCJB-HNNXBMFYSA-N 446.956 3.973 0 40 IHAB CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(C(C)(C)C)cc1 223448266 YOXOBDWIMCVHEP-QFIPXVFZSA-N 426.557 3.925 0 40 IHAB CS(=O)(=O)N(CC(=O)NCC1CCCCC1)c1ccc(Cl)c(C(F)(F)F)c1 223689497 QTUVRMXZSVSXIO-UHFFFAOYSA-N 426.888 3.821 0 40 IHAB Cc1ccccc1OCCNC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1 223796827 VVDJBHSZHSJTBO-UHFFFAOYSA-N 438.549 3.770 0 40 IHAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(C)(C)C)cc2)cc1N1CCCC1=O 223889347 ZHTWLBIZQMHSDO-UHFFFAOYSA-N 430.570 3.940 0 40 IHAB CC1(C)C[C@@H](NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c2ccccc2O1 223981513 QLAZZGYNXBPARF-LJQANCHMSA-N 426.538 3.566 0 40 IHAB Cc1ccccc1OCCNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 224104723 UKYSTGQXLZTLJT-UHFFFAOYSA-N 436.961 3.632 0 40 IHAB CCOC(=O)c1ccc(NS(=O)(=O)c2cc(Br)ccc2OC)c(C)c1 224342407 NSIJQXAGROGSET-UHFFFAOYSA-N 428.304 3.744 0 40 IHAB CC(C)Sc1nnc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)s1 225076410 OZEJGLDAKGZNJE-UHFFFAOYSA-N 448.595 3.873 0 40 IHAB CC(C)Sc1nnc(NC(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)s1 225145655 ATHHJVLPIVKIKH-UHFFFAOYSA-N 449.023 3.877 0 40 IHAB CCSc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 225497397 JIPKSQMWOHDORC-UHFFFAOYSA-N 434.583 3.847 0 40 IHAB CCOC(=O)c1ccc(C)c(NC(=S)NCc2nc(-c3ccc(OC)cc3)no2)c1 225824270 FWUSOWRYTSXOGQ-UHFFFAOYSA-N 426.498 3.717 0 40 IHAB COc1ccccc1-c1nc2sc(=Cc3ccc(OCc4ccccc4)cc3)c(=O)n2n1 254703620 ZGCDMCAGBRPROR-UHFFFAOYSA-N 441.512 3.953 0 40 IHAB CC(C)NC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(C(=O)c2cnccn2)CC1 257199884 ABDJLWVETUUIQO-UHFFFAOYSA-N 443.551 3.528 0 40 IHAB C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1cccc(Br)c1 408550205 BKDQPUZEHGTUIU-CYBMUJFWSA-N 433.327 3.908 0 40 IHAB COc1cc(C)c(NC(=O)Cn2cc(C(=O)C(=O)N3CCCC3)c3ccccc32)cc1C 408564865 APFFQUZAZBZGOX-UHFFFAOYSA-N 433.508 3.711 0 40 IHAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)cc1C 408584102 LPPIBUFQHJGEJZ-GOSISDBHSA-N 438.549 3.576 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1 408584483 QKRKVLZGHBKJLT-IBGZPJMESA-N 444.553 3.683 0 40 IHAB Cc1cc(C)cc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)cc2)c1 408656056 IIRWDRZSECQSQN-ZRGHVXQMSA-N 446.503 3.634 0 40 IHAB Cc1ccc(N(CC(=O)NCCSCc2ccco2)S(=O)(=O)c2ccccc2)cc1 408920846 PIAANJNRXAXHMH-UHFFFAOYSA-N 444.578 3.833 0 40 IHAB COc1ccc([C@@H]2[C@H](NC(=O)c3ccc(C)cc3)C(=O)N/[N+]2=C\c2ccccc2Cl)cc1 409055532 CJWJASLZEAXRSK-LMOLPZMTSA-O 448.930 3.673 0 40 IHAB COc1ccccc1OCCn1cc(C(=S)N2CCC(C(N)=O)CC2)c2ccccc21 409206175 IEJSYWCIMNNXNF-UHFFFAOYSA-N 437.565 3.602 0 40 IHAB CC(C)Oc1ccccc1/C=C1\SC(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O 409345396 LRBUWULMRYSZCD-OCKHKDLRSA-N 440.477 3.878 0 40 IHAB COc1ccc(CCNC(=O)N2CCCC3=C[C@H]4C[C@@H](CN5CCCC[C@H]45)[C@@H]32)cc1OC 583648149 JXOSLFKXMPFGSP-VRIJDZSUSA-N 439.600 3.851 0 40 IHAB biogenic Cc1cc(C)n(-c2cccc(C(=O)N3C[C@@H](c4ccc(F)cc4)[C@@]4(CCCC(=O)N4)C3)c2)n1 585261676 BRCDUQHSQCOJPU-JYFHCDHNSA-N 446.526 3.907 0 40 IHAB OC1(COc2cccc(Cl)c2)CCN(CC2(O)CCN(c3ccc(F)cc3)CC2)CC1 585282007 FLBVRPREDYWQEP-UHFFFAOYSA-N 448.966 3.716 0 40 IHAB Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N2CCN(C[C@@H]3CCCO3)CC2)cc1 612753348 RKMDAHGUFNLMDS-DEOSSOPVSA-N 444.579 3.844 0 40 IHAB C[C@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1 665474 SGLQQKNREYNOFS-INIZCTEOSA-N 438.505 3.750 0 40 IHAB Cc1cccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C(=O)NC2CCCCC2)c1 969366 OFUNKQDKYJGOAN-UHFFFAOYSA-N 429.498 3.594 0 40 IHAB COc1ccc(NC(=O)c2ccc(N[C@@H]3CC(=O)N(Cc4ccccc4)C3=O)cc2)cc1 2629394 UVXHPCKZVZJHHT-JOCHJYFZSA-N 429.476 3.687 0 40 IHAB CC[C@@H](C)n1c(SCC(C)C)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 3252322 RTIZTDUKXSWVME-MRXNPFEDSA-N 438.619 3.685 0 40 IHAB CCOCCCNC(=S)N(Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C1CCCC1 6195290 DSTUJWXLQGBRJF-UHFFFAOYSA-N 447.601 3.591 0 40 IHAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1nc2ccc(S(N)(=O)=O)cc2s1 8844211 GGPWHEIQDOMPCL-UHFFFAOYSA-N 430.536 3.628 0 40 IHAB CCOc1ccc(-n2c(N)c(C(=O)OC[C@H]3CCCO3)c3nc4ccccc4nc32)cc1 8871041 UHOZVIJLFAYCHC-QGZVFWFLSA-N 432.480 3.890 0 40 IHAB COc1ccccc1NS(=O)(=O)c1cc(NC(=S)NC(=O)c2ccco2)ccc1C 9183527 XBDGPEKQTGLGQL-UHFFFAOYSA-N 445.522 3.524 0 40 IHAB Cc1ccccc1-n1nc2c(c1NC(=O)c1ccc(N3C(=O)CCC3=O)cc1)CSC2 9404504 NKCTVEWXTOBXJE-UHFFFAOYSA-N 432.505 3.833 0 40 IHAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc(-c3cn4ccsc4n3)cc1)C2=O 9713870 AJVNPBYSLJBZCK-RCDICMHDSA-N 437.525 3.502 0 40 IHAB COc1ccc(-c2nc(NC(=O)CSc3nncn3-n3cccc3)sc2C)cc1 9737785 LYMOAKYVLANABN-UHFFFAOYSA-N 426.527 3.562 0 40 IHAB CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)cc1 9905588 OCBFADWBZOARKB-UHFFFAOYSA-N 438.528 3.663 0 40 IHAB Cc1ccc(NC(=O)Cn2c(=O)n(Cc3ccco3)c(=O)c3sc4ccccc4c32)cc1 10272526 GOKLFMDOWBEDHR-UHFFFAOYSA-N 445.500 3.966 0 40 IHAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N(C)Cc3nc4ccccc4s3)cc2)C1 10286154 KQBAKPXVHZNKLR-MRXNPFEDSA-N 443.594 3.989 0 40 IHAB CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(C(=O)NCCc2ccccc2)cc1 10357162 RTDOSRGRAVFESJ-UHFFFAOYSA-N 426.513 3.764 0 40 IHAB O=C(N[C@H]1CCCc2c1cnn2-c1ccc(F)cc1F)c1ccccc1N1CCOCC1 12319781 YPEFQKIETPEKPH-FQEVSTJZSA-N 438.478 3.795 0 40 IHAB CSCC[C@@H](Nc1ccc(S(=O)(=O)N2CCCC2)cn1)c1nc2ccccc2[nH]1 12550166 WSHCXZUSSQRQHF-GOSISDBHSA-N 431.587 3.649 0 40 IHAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NCC(C)(C)N3CCCCC3)c2)cc1 12604592 BFEUYJKCJBLKJS-UHFFFAOYSA-N 429.586 3.790 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)Cc1ccc2c(c1)CCC2 12691974 UTHDRFPXCQPIEY-UHFFFAOYSA-N 442.581 3.930 0 40 IHAB COC(=O)C[C@H](NS(=O)(=O)c1ccccc1Cl)c1ccc(Br)cc1 12735933 NYCOLFWMQLPRMC-AWEZNQCLSA-N 432.723 3.685 0 40 IHAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1cnn(-c2ccc(Cl)cc2)c1C 12744692 PLYYCGWRGFHUKT-UHFFFAOYSA-N 428.895 3.752 0 40 IHAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 12812568 DNKWNHKWZQVBCY-AWEZNQCLSA-N 429.325 3.703 0 40 IHAB COC(=O)CNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccc(Cl)cc1 12973728 AXQPHNRJOIJXQN-UHFFFAOYSA-N 434.883 3.703 0 40 IHAB CC[C@H]1Oc2ccc(C)cc2N(CC(=O)N(Cc2ccccc2F)C[C@@H]2CCCO2)C1=O 13083031 GMXXQBFSFJABDQ-SIKLNZKXSA-N 440.515 3.846 0 40 IHAB CSCC[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)N1C(=O)c2ccccc2C1=O 13145596 GRBLVLUSAKQSBT-GOSISDBHSA-N 434.920 3.855 0 40 IHAB Cc1ccccc1NC(=O)Cc1nc(CN(C)CC(=O)Nc2cccc(F)c2)cs1 13149900 VPYLREGKXZLHKN-UHFFFAOYSA-N 426.517 3.842 0 40 IHAB CC[C@H]1CCCCN1C(=O)CN1C(=O)N[C@@](c2ccccc2)(c2ccc(C)c(C)c2)C1=O 13165186 LAFMZWMMAVORGX-NVQXNPDNSA-N 433.552 3.890 0 40 IHAB CCOc1ccc(C(=O)NCCOc2ccc3nnc(-c4ccccc4Cl)n3n2)cc1 13526504 CCDSNTQFQNBJJL-UHFFFAOYSA-N 437.887 3.652 0 40 IHAB Cc1nc2ncnn2c(C)c1CCC(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 15640783 IFVKCJCKYVJXFC-UHFFFAOYSA-N 429.406 3.517 0 40 IHAB Cc1ccccc1-c1nc2scc(CCNS(=O)(=O)c3cc(F)ccc3F)n2n1 15783899 CBFQGNRDFRBGIF-UHFFFAOYSA-N 434.493 3.565 0 40 IHAB CCC(=O)NC(=S)Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 17097286 RUJBNMUOULZFCH-UHFFFAOYSA-N 430.961 3.525 0 40 IHAB COc1cccc(C(=O)NC(=S)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)c1 17097484 JBNLPVGDJHCFIG-UHFFFAOYSA-N 431.473 3.623 0 40 IHAB Cc1cccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3S(=O)(=O)c2cccs2)c1 17135507 CAZJUIWIIJSLJH-UHFFFAOYSA-N 448.591 3.999 0 40 IHAB CON(C)S(=O)(=O)c1ccc(Br)c(C(=O)OCc2ccc(Cl)cc2)c1 17837583 COHIZIAGUICCGH-UHFFFAOYSA-N 448.722 3.641 0 40 IHAB Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)Oc2ccccc2F)cc(=O)[nH]1 19240955 QHJAKFNDJCZVOM-JLTOFOAXSA-N 434.471 3.566 0 40 IHAB O=C(c1cccc(F)c1)N1CCCC[C@@H]1c1cc2nc3c(c(O)n2n1)CN(CC1CC1)CC3 19293551 JBGRRAQRNDDICG-JOCHJYFZSA-N 449.530 3.710 0 40 IHAB CCN(CC)C(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)[C@@H]2CCCO2)C1 19526173 VPLJGNVLHMKKIV-OZXSUGGESA-N 435.568 3.557 0 40 IHAB CCN1CCN(C(=O)c2c[nH]nc2C)C[C@@H](Cc2ccccc2-c2ccc(C)cc2)C1=O 19527610 YMROZSYSSLLOHE-JOCHJYFZSA-N 430.552 3.857 0 40 IHAB COc1ccc(CC(=O)N2CCNC(=O)[C@H](Cc3ccc(-c4ccccc4F)cc3)C2)cc1 19554260 CHRNJSVHCBBVLE-JOCHJYFZSA-N 446.522 3.861 0 40 IHAB COc1cccc(N(C)CCC(=O)N2CCC(c3ccc(-c4ccc(N)nc4)cn3)CC2)c1 19687833 IOTYMJIKFGTEAI-UHFFFAOYSA-N 445.567 3.967 0 40 IHAB CN(C)c1cc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(CN(C)C2CCCCC2)n1 19697390 PNHIOWIBTSLWKS-QGZVFWFLSA-N 425.552 3.967 0 40 IHAB CCN(C(=O)c1cnccn1)[C@@H]1CCO[C@H](c2ccc(C(=O)Nc3ncccc3C)cc2)C1 19712660 RNTOMVFFZPAUFW-IRLDBZIGSA-N 445.523 3.815 0 40 IHAB CCc1ncc(CN2CCC(c3ncc(C(=O)Nc4ccc(OC)cc4)c(C)n3)CC2)cn1 19754012 HJLHNWHRUKIFCK-UHFFFAOYSA-N 446.555 3.778 0 40 IHAB Cc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCN2CCOCC2)o1 20308258 UJWAEERRVJXRGQ-HXUWFJFHSA-N 442.899 3.615 0 40 IHAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1ccccc1OC(F)(F)F)C2=O 21759505 GDPKXWYEDZKLSX-CWTRNNRKSA-N 427.423 3.661 0 40 IHAB O=C1CC2(CCCCC2)C(=O)N1CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 22015358 LIRSOORWYOZNGC-INIZCTEOSA-N 425.510 3.728 0 40 IHAB COc1ccc(-c2noc(CN3CCN(C(=O)/C=C/c4ccc(Cl)cc4)CC3)n2)cc1 22989174 QJPJWGXNJVZQRT-NYYWCZLTSA-N 438.915 3.756 0 40 IHAB CS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](c2ccc3c(c2)CCC3)c2cccs2)cc1 24749654 CJINDXSGXRAVNG-NRFANRHFSA-N 447.603 3.708 0 40 IHAB CCN1CCN(c2ccc(NC(=O)[C@@H]3CC(=O)N(c4cccc(C)c4C)C3)c(C)c2)CC1 29374109 WIQWTLZQEMYJFS-OAQYLSRUSA-N 434.584 3.745 0 40 IHAB O=C(Nc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1)[C@H]1CCCO1 30531730 IKLROIYOEYCBAP-MRXNPFEDSA-N 430.404 3.504 0 40 IHAB COc1c(C)cnc(CN2CCN([C@H](C(=O)O)c3c[nH]c4cc(Cl)ccc34)CC2)c1C 31811096 XIXNXDBRSAKQSA-NRFANRHFSA-N 442.947 3.785 0 40 IHAB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)NC[C@H](c1cccs1)N1CCCC1 32761181 XRHLUPSXIAEYEM-XLIONFOSSA-N 435.540 3.734 0 40 IHAB CCC[C@H](c1nnnn1C[C@H]1CCCO1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 35292044 NABWEXVFVVDHOX-RTBURBONSA-N 438.498 3.534 0 40 IHAB Cc1cc(C)nc(SCc2c(C(=O)NCc3cccs3)nnn2-c2ccccc2)n1 35590711 SSHAZDUIFNYESI-UHFFFAOYSA-N 436.566 3.958 0 40 IHAB COC(=O)c1ccccc1NC(=O)Cn1cnc2c(-c3ccc(F)cc3)csc2c1=O 38486562 UCFPURVUGQPALT-UHFFFAOYSA-N 437.452 3.689 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccnc2)c2ccc(Cl)cc2C)cc1 44802793 QSOOKZJNHUDORI-UHFFFAOYSA-N 443.956 3.864 0 40 IHAB Cc1ccc([C@H](C)NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)cc1 44933574 YCFBEXYENZOIHE-KKSFZXQISA-N 430.570 3.697 0 40 IHAB Cc1occc1C(=O)Nc1cc(NC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)ccc1F 48344872 OAEBPIDKQAMPBI-INIZCTEOSA-N 442.491 3.846 0 40 IHAB Nc1nc(CN2CCN(c3cccc(Cl)c3)CC2)nc(Nc2ccc(Cl)cc2)n1 54147057 XRTDCPDZERUVQC-UHFFFAOYSA-N 430.343 3.826 0 40 IHAB Cc1ccc(C)c(NC(=O)Cn2c(=O)n(-c3cc(F)cc(F)c3)c(=O)c3sccc32)c1 57429056 CAVJBJOMBJMGSY-UHFFFAOYSA-N 441.459 3.748 0 40 IHAB O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21)Nc1ccc(C(F)(F)F)cc1 57489573 JCRPKQQNTFYLKE-UHFFFAOYSA-N 445.422 3.871 0 40 IHAB C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)N3CCC[C@@H]3c3ccsc3)cc2)C[C@@H](C)O1 58217156 WZSUWSHNYUHMRI-GQIGUUNPSA-N 449.598 3.915 0 40 IHAB NC(=O)c1sc2ccccc2c1C[C@H]1CCCCN1C(=O)CCCNc1ncccn1 72370494 IKPJWFSCBVYBKR-MRXNPFEDSA-N 437.569 3.606 0 40 IHAB Cc1cccc(Nc2cncc([C@H]3CCCN3S(=O)(=O)c3ccc(C)c(F)c3)n2)n1 72376327 MGFOGZOUSVYFFU-LJQANCHMSA-N 427.505 3.897 0 40 IHAB CCOC(=O)[C@]1(Cc2cc(-c3ccc(OC)cc3)no2)CCCN(C(=O)c2ccccn2)C1 72394134 GMELWBFQXSOYAJ-VWLOTQADSA-N 449.507 3.773 0 40 IHAB Cc1nn(-c2cncc(Cl)n2)c(C)c1CC(=O)Nc1nnc(-c2ccccc2)s1 89522486 WFKFNHDWFZYLAB-UHFFFAOYSA-N 425.905 3.632 0 40 IHAB O=C(NCCN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O)c1ccc(Cl)cc1 96600698 VNLLSDFFWSZRBM-LICLKQGHSA-N 430.869 3.535 0 40 IHAB Cc1cc(CNc2cccc(C(=O)N3CCC[C@@H]3CO)n2)cc(C)c1OCc1ccccn1 97165689 ALINFADBBPGLIA-JOCHJYFZSA-N 446.551 3.881 0 40 IHAB CC1=C[C@@H]2C[C@@H]1[C@H]1C(=O)N(c3ccc(C(=O)OCC(=O)c4ccc(F)cc4)cc3)C(=O)[C@H]21 101227192 ZYNFFYIKOUYRTA-DGEVVOEJSA-N 433.435 3.567 0 40 IHAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@H](OC(C)=O)[C@@](O)(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 118932128 CDKRMWAXMJVXDE-KFGZADJESA-N 432.557 3.743 0 40 IHAB C[C@@H](C(=O)NCCCc1ccccc1)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 220200952 XVNHJISRLHGYOD-HNNXBMFYSA-N 428.476 3.609 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)c3ccc(F)cc3)CC2)cc1C 222580573 QUFUVODAVNNGGT-UHFFFAOYSA-N 434.533 3.597 0 40 IHAB CSc1ccc(S(=O)(=O)NCCSC2CCCC2)cc1C(=O)N1CCCCC1 223183576 HUYPYCKRBKSKRE-UHFFFAOYSA-N 442.672 3.989 0 40 IHAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@H](C)COc2ccc(C)cc2)cc1 223524664 XALCOQQLHDWYTK-OYADDEIPSA-N 434.492 3.951 0 40 IHAB CCOc1ccc(CNS(=O)(=O)c2ccc(SC)c(C(=O)N3CCCCC3)c2)cc1 223854547 CTFWBKOWHQDCDF-UHFFFAOYSA-N 448.610 3.912 0 40 IHAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)n1C 223927175 MBVYNUBNOSYQJD-GOTSBHOMSA-N 433.581 3.742 0 40 IHAB CSc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1C(=O)N1CCCCC1 224320988 JADKEVPHJQDTFS-UHFFFAOYSA-N 436.574 3.695 0 40 IHAB COc1ccc(C(=O)NC2CCCCC2)cc1CN(c1ccc(F)cc1)S(C)(=O)=O 224755291 ASXOXJPQVXEONF-UHFFFAOYSA-N 434.533 3.863 0 40 IHAB CCc1ccc(OCC(=O)N(Cc2cccc(OC)c2)[C@H](C)C(=O)N[C@H](C)CC)cc1 225371394 FQYICFVHNSTVSK-RTBURBONSA-N 426.557 3.968 0 40 IHAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2cccc(N3CCCC3=O)c2)cc1 225521482 SNSUFZNDZUVFDF-JWGURIENSA-N 445.475 3.825 0 40 IHAB CCn1c(=O)sc2cc(S(=O)(=O)Nc3cc(OC)c(Cl)cc3OC)ccc21 225694865 GRFWCSQGCSNBPG-UHFFFAOYSA-N 428.919 3.554 0 40 IHAB CCn1cc(CN2CCO[C@@H](c3cc(CCOc4ccc(Cl)cc4)[nH]n3)C2)c(C)n1 257210032 BSVMZGIGODTAMR-JOCHJYFZSA-N 429.952 3.783 0 40 IHAB Cc1noc(C)c1CC(=O)NC[C@@H]1CC[C@@]2(C)C[C@H](c3ccccc3)C[C@](C)(O2)[C@H]1O 257251758 JSCAFYPICSXWSJ-HHRCKSQXSA-N 426.557 3.833 0 40 IHAB CC(C)Sc1ccc(CC(=O)N2CCC(n3nnc4ccsc4c3=O)CC2)cc1 390831778 UWPUFMTYCKDXJD-UHFFFAOYSA-N 428.583 3.760 0 40 IHAB CCCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCCC)c2)cc1 408609578 UEWFEJFTILHUKS-UHFFFAOYSA-N 432.542 3.893 0 40 IHAB CCc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)cc1 408669527 WKGVOBYDMCYCKM-NHCUHLMSSA-N 432.476 3.500 0 40 IHAB Cc1ccc(C)c(NC(=O)CSc2nnc([C@H](C)NC(=O)c3ccccc3C)n2C)c1 409338849 PLDCOQQJGMPJON-KRWDZBQOSA-N 437.569 3.962 0 40 IHAB Cc1cc(C)n([C@@H](CNC(=O)Cc2ccc(S(=O)(=O)C(C)C)cc2)c2cccs2)n1 575610185 LQJCKIBGPSLYPO-FQEVSTJZSA-N 445.610 3.692 0 40 IHAB CCN1CCN(C(=O)Cc2ccc(OC)cc2)[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O 585168993 DOYGVIIKGBWIBX-RUZDIDTESA-N 443.547 3.602 0 40 IHAB Cc1cnc(Nc2cccc(C3CCN(C(=O)[C@@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C(=O)O)CC3)n2)s1 585263315 BRILTGSRXHVXNC-GJJHYRHESA-N 438.553 3.819 0 40 IHAB Cc1ncccc1C(=O)N1CCC[C@]2(CCCCc3ccccc3OCCN(C)C2=O)C1 643561543 QZBGJZZGEIGXEI-AREMUKBSSA-N 435.568 3.876 0 40 IHAB CCN1CCN(Cc2cccn2-c2ccc(OC)cc2)CCOc2ccccc2CC1=O 643568796 FJUIXEQGVRHVFH-UHFFFAOYSA-N 433.552 3.772 0 40 IHAB Cn1cc(CN2CC[C@H](O)[C@H](O)COCCCCOc3ccccc32)c2ccc(F)cc21 1615162066 SFHSRIBNBRSZOI-BJKOFHAPSA-N 442.531 3.625 0 40 IHAB COc1cccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2C)CC(C)(C)OC4)c1 1288021 PEUFWXNWKIYXAG-UHFFFAOYSA-N 445.566 3.586 0 40 IHAB CC(C)C[C@@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1)N1C(=O)c2ccccc2C1=O 1916995 SXZJUQGBJVCFDA-SFHVURJKSA-N 428.872 3.533 0 40 IHAB Cc1ccc(Nc2nnc(-c3ccc(C)c(S(=O)(=O)NCCO)c3)c3ccccc23)cc1 2299368 KQBCEQLPGNHZAA-UHFFFAOYSA-N 448.548 3.928 0 40 IHAB CCOc1ccc(OCCN2C(=O)N[C@@](C)(c3cccc(Br)c3)C2=O)cc1 2626912 BYWHTTSVFNKQTL-FQEVSTJZSA-N 433.302 3.694 0 40 IHAB O=C(COC(=O)CCC(=O)c1ccc(F)cc1)Nc1ccc(Br)cc1F 3219405 SYVMZQOHZBWSKB-UHFFFAOYSA-N 426.213 3.872 0 40 IHAB CCOc1ccc2nc(NC(=O)[C@H](NS(=O)(=O)c3cccs3)C(C)C)sc2c1 4034901 BAICABIORUBNLY-MRXNPFEDSA-N 439.584 3.698 0 40 IHAB COc1ccccc1NC(=S)N(CCCO)Cc1cc2c(C)ccc(C)c2[nH]c1=O 4127627 JOZPIGYUCKYIQO-UHFFFAOYSA-N 425.554 3.735 0 40 IHAB CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)sc(C)c1-c1ccc(F)cc1 4199817 URUDGDDQSSVEET-WTTBNOFXSA-N 447.484 3.856 0 40 IHAB Cc1cccc(C)c1Nc1nnc(SCC(=O)NCC(=O)Nc2ccc(F)cc2)s1 8704454 YQYDNDUTCLMVCK-UHFFFAOYSA-N 445.545 3.885 0 40 IHAB CCCNc1nc(SC)nc2c1cnn2CCNC(=O)Cc1cccc2ccccc12 8940803 AMKAAYZZMWPAFF-UHFFFAOYSA-N 434.569 3.882 0 40 IHAB COc1ccc(N2C[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)CC2=O)c(OC)c1 9196987 SIIIEYVKRZYEFK-FQEVSTJZSA-N 430.504 3.963 0 40 IHAB COc1ccc(OC)c([C@H]2CCCN2[C@H](C)C(=O)Nc2sc3c(c2C(N)=O)CCC3)c1 9414489 CKFNCTQNTBZRJH-CXAGYDPISA-N 443.569 3.517 0 40 IHAB CC(=O)N1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccncc3)=NN12 9461773 AERYXTFZIXLXKV-IBGZPJMESA-N 441.329 3.726 0 40 IHAB COc1cccc(NC(=O)CSc2nc(O)c3cnn(-c4cccc(C)c4C)c3n2)c1 9521568 GAMNOUDLWVGCPB-UHFFFAOYSA-N 435.509 3.877 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CCc2c[nH]c3ccccc23)c1 9630818 GVDJBWZPELEVNB-UHFFFAOYSA-N 429.542 3.778 0 40 IHAB COc1ccc(CN(C(=O)c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)C2CC2)cc1 9666768 GSUPUPXGZODYPU-SFHVURJKSA-N 442.581 3.921 0 40 IHAB CCc1ccc(S(=O)(=O)c2nnn3c2nc(N2CCCC2)c2cc(Cl)ccc23)cc1 9830002 AUQXHJXZTITSJP-UHFFFAOYSA-N 441.944 3.926 0 40 IHAB CCCCn1nc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)c2ccccc2c1=O 9962349 OYNRPBDZAQXSTE-ZDUSSCGKSA-N 438.553 3.734 0 40 IHAB COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(C(C)C)cc2)CC1 10302930 DSMNSRZDCRTTKC-UHFFFAOYSA-N 434.533 3.997 0 40 IHAB CCOc1cc(/C=C/C(=O)O)c(Br)cc1OCC(=O)NC1CCCCC1 12394636 ZFSHQDPYFQBXOH-CMDGGOBGSA-N 426.307 3.773 0 40 IHAB CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1 12550982 WEBFCNDHZMJKBE-SJLPKXTDSA-N 440.569 3.660 0 40 IHAB Cc1cc(C)c2c(NC(=O)c3ccc(F)cc3F)c(C(=O)N3CCOCC3)sc2n1 12610338 LDKOFIFYGVFWRQ-UHFFFAOYSA-N 431.464 3.916 0 40 IHAB Cc1ccc(OCCOC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)cc1 12637836 DFEGKFHAXYNPTE-UHFFFAOYSA-N 437.517 3.982 0 40 IHAB Cc1ccc(NC(=O)Cc2nc(CN(C)Cc3nc4ccccc4c(=O)[nH]3)cs2)cc1 12814119 GBVGXCIZITXDMY-UHFFFAOYSA-N 433.537 3.501 0 40 IHAB C[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 12816981 IFRYDSNVTZBPAI-QGZVFWFLSA-N 449.473 3.665 0 40 IHAB O=C(NC1CCCCC1)[C@@H](c1ccccn1)N(Cc1ccccc1)C(=O)c1csnn1 12871676 ZUBSGCYFOQSUNK-OAQYLSRUSA-N 435.553 3.766 0 40 IHAB Cc1cc(C(=O)COC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c(C)n1Cc1ccccc1 13038071 YDQOTRMSNIETJR-FQEVSTJZSA-N 434.492 3.521 0 40 IHAB CCc1cc2c(COC(=O)[C@H](C)NC(=O)c3ccccc3Cl)cc(=O)oc2cc1O 13100599 TZCUQPJACDGAAJ-LBPRGKRZSA-N 429.856 3.576 0 40 IHAB O=C1CCC[C@]2(O)[C@H]1[C@@H](c1cccc(Br)c1)NC(=O)N2Cc1ccccc1 13144282 WZFPULSDAOVPET-SBHAEUEKSA-N 429.314 3.773 0 40 IHAB COC(=O)c1ccc2c(=O)[nH]c(COC(=O)C3(c4ccc(Cl)cc4)CCCC3)nc2c1 13163555 JUFOHVINYDGOGN-UHFFFAOYSA-N 440.883 3.918 0 40 IHAB Cc1cc(=O)oc2cc(OCC(=O)Nc3ccc(CN4CCOCC4)cc3)c(Cl)cc12 13593268 GJJUSTPRUVDKEA-UHFFFAOYSA-N 442.899 3.605 0 40 IHAB Cc1ccc(/C=C/S(=O)(=O)NCCCn2nc(-c3ccc(Cl)cc3)ccc2=O)cc1 13799370 FPXTUBJAEDWVJY-DTQAZKPQSA-N 443.956 3.853 0 40 IHAB Cc1cccc(OCCN(C)C(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)c1 14197602 UEKJTMGLIFOSOP-UHFFFAOYSA-N 427.504 3.904 0 40 IHAB Cc1sc2ncn(CCC(=O)Nc3cc(Cl)ccc3N3CCOCC3)c(=O)c2c1C 14852031 WULDJENYUHLRMQ-UHFFFAOYSA-N 446.960 3.594 0 40 IHAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl 15858280 FKXQBJNFQJZDBT-UHFFFAOYSA-N 432.807 3.678 0 40 IHAB C[C@@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)o1 15997087 SHOXEDHKNJWZKC-SECBINFHSA-N 436.317 3.936 0 40 IHAB O=C1CC2(CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)Oc2ccccc21 16689633 UHHGMAQSKVVLBX-UHFFFAOYSA-N 436.327 3.638 0 40 IHAB Cc1ccc2c(C)c(CCC(=O)Nc3ccc(S(=O)(=O)C(F)F)cc3)c(=O)oc2c1 16708140 FTOPERGWXPFVOH-UHFFFAOYSA-N 435.448 3.977 0 40 IHAB COc1ccc(NC(=O)N(Cc2ccc3c(c2)OCO3)c2nnc3n2CCCCC3)cc1 16769862 XNRSOOBIDHGEFV-UHFFFAOYSA-N 435.484 3.981 0 40 IHAB CN1CCCN(C(=O)c2ccc(I)cc2)c2nc3ccccc3nc21 17364257 FKNIGYNNUNGWQK-UHFFFAOYSA-N 444.276 3.721 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@]3(CCc4ccccc4O3)CC2)cc1NC(C)=O 19022198 SDVBUIWIIYYJCO-QHCPKHFHSA-N 444.553 3.592 0 40 IHAB CCCC(=O)N1CCc2nc([C@@H]3CCCN(Cc4ccc(C(C)C)cc4)C3)[nH]c(=O)c2C1 19501584 MJKNNFIUKLMBID-OAQYLSRUSA-N 436.600 3.958 0 40 IHAB CCOc1ccc(CC(=O)N2CCC[C@H](c3cc(NC)nc(-c4cccnc4)n3)C2)cc1 19532855 JPVXWTSEYWKKAT-FQEVSTJZSA-N 431.540 3.928 0 40 IHAB CNC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCCN(Cc2ccc(OC)cc2F)C1 19591281 HXOXEGQGJKXJPW-SANMLTNESA-N 448.542 3.862 0 40 IHAB CC(C)NC(=O)c1sc2ncccc2c1[C@@H]1CN(Cc2cnc(C(C)C)nc2)CCO1 19703343 ZMOMQGJOPZRJTM-SFHVURJKSA-N 439.585 3.921 0 40 IHAB COc1ccc(CN2C(=O)Cc3c(C)nc([C@H]4CCCN(C(=O)CC(C)C)C4)nc32)cc1 19744569 OMBGNVVKDIKFAD-IBGZPJMESA-N 436.556 3.635 0 40 IHAB Cc1nc([C@H]2CCCCN2C(=O)c2nccn2C)ncc1C(=O)Nc1ccc(Cl)cc1 19753743 OEVKBEYNMDDQDD-GOSISDBHSA-N 438.919 3.792 0 40 IHAB CCOc1ccccc1CNC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O 20456072 MCGNZSIELHFZLR-UHFFFAOYSA-N 438.549 3.982 0 40 IHAB Cc1nc2ccc(C(=O)Nc3c(C(=O)N4CCOCC4)oc4ccccc34)cc2nc1C 21630890 LNKWHBMSNQQZIP-UHFFFAOYSA-N 430.464 3.718 0 40 IHAB C[C@@H]1Cc2ccccc2N1C(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2Cl)C1=O 21705914 XLGQYLGVWCQNQW-XUSGNXJCSA-N 432.307 3.738 0 40 IHAB Cc1ccc(OC[C@H](C)NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 22279370 VNTRGGBVFUCBGU-FQEVSTJZSA-N 438.549 3.774 0 40 IHAB COc1cc(Br)c(CCNC(=O)COc2ccc(C)cc2OC)cc1OC 24383292 WTOBTXMJFUADIN-UHFFFAOYSA-N 438.318 3.521 0 40 IHAB CC1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)CC1 26109401 NBMCARFGJFGAMO-HNNXBMFYSA-N 433.401 3.794 0 40 IHAB C[C@@]12CCC(=O)N1[C@@H](C(=O)NCc1ccc(-c3ccc(Br)cc3)o1)CS2 26691527 GUUMZHTZBKRLSD-DNVCBOLYSA-N 435.343 3.779 0 40 IHAB Cc1ccc(-n2c(SCC(=O)N[C@@H]3CCOc4ccccc43)nnc2N2CCCC2)cc1 28034160 AIOJDCKWAPKVKY-HXUWFJFHSA-N 449.580 3.908 0 40 IHAB CCOc1ccc(/C=C/C(=O)Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)n3C)cc1 28049085 GSGKAWDHMDLUAT-JLHYYAGUSA-N 434.540 3.918 0 40 IHAB C[C@@H](c1nc2ccccc2n1C(F)F)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 31602196 YILTYAQPBHLLMM-INIZCTEOSA-N 434.512 3.640 0 40 IHAB CCN(CC)C(=O)c1cccc(NS(=O)(=O)c2ccc(F)cc2Br)c1 32926346 ZTUFWZVCPQGMPY-UHFFFAOYSA-N 429.311 3.871 0 40 IHAB C[C@@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccc2c(c1)CCCC2 33220773 HNWVTFBJVSXJHM-LJQANCHMSA-N 440.609 3.985 0 40 IHAB CC1(C)C[C@H]2C[C@](C)(CN2[C@H](C(=O)O)c2c[nH]c3cc(NC(=O)/C=C/C(=O)O)ccc23)C1 36357477 OGOIDEGCILKTIU-WBQBKQTDSA-N 439.512 3.774 0 40 IHAB CN(c1ccc(NC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1F)C1CCCCC1 40138950 OMSTWIXFGADFPE-UHFFFAOYSA-N 434.537 3.564 0 40 IHAB Cc1cccc(NC(=O)CN2CCN(C(=O)[C@H]3CCC[C@@H](C(F)(F)F)C3)CC2)c1C 48324526 RWAACPYSNAAWFZ-ZWKOTPCHSA-N 425.495 3.755 0 40 IHAB O=C(Cn1c(=O)n(-c2ccccc2F)c(=O)c2sccc21)Nc1cccc(Cl)c1 57490452 HGXPUMYNQJSPCI-UHFFFAOYSA-N 429.860 3.645 0 40 IHAB CCSCc1nc(O)c2nnn(C3CCN(CC[C@@H](C)c4ccc(C)o4)CC3)c2n1 72337397 PNMACBSPGJZCLT-CQSZACIVSA-N 430.578 3.912 0 40 IHAB COc1ccc2nc(NC(=O)Cn3cc(OCc4ccccc4)c(=O)cc3C)sc2c1 72403461 AUOMUUZVJBDXCI-UHFFFAOYSA-N 435.505 3.993 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(Cn3c(SC(C)C)nc4ccccc43)CC2)cc1 89639012 YYOAVYPHCZVZSG-UHFFFAOYSA-N 444.626 3.809 0 40 IHAB C[C@@H]1Sc2ccc(C(=O)NCc3cc(Br)c4c(c3)OCCO4)cc2NC1=O 95377605 ZOIFIFGKFYRVPV-JTQLQIEISA-N 449.326 3.583 0 40 IHAB CC(C)Oc1ccc(NC(=O)c2c3c(N4CCN(C)CC4)ncnc3n3ccccc23)cc1 96146738 SUJULIYXGRSEHS-UHFFFAOYSA-N 444.539 3.674 0 40 IHAB O=C([C@H]1CSCN1C(=O)/C=C/c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1 97124297 CEEZVAAMSGPRLT-LCCNJJIFSA-N 441.984 3.604 0 40 IHAB CO[C@H]1CC[C@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)c2cc(N(C)C)nc(C)n2)CC1 100158546 PEALZLCONXYOIN-KPLVRAHFSA-N 435.572 3.938 0 40 IHAB COc1ccc(CN2N=N[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]32)cc1Br 101167762 UWXWQNWZHUYTQM-JKSUJKDBSA-N 449.692 3.605 0 40 IHAB CCOC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1C 219984471 OHNDFWKNPSSBDO-UHFFFAOYSA-N 430.526 3.599 0 40 IHAB CC[C@H](C(=O)NCc1ccc(Cl)cc1Cl)N(c1cccc(OC)c1)S(C)(=O)=O 220615482 DQLJGFMNLZZHHJ-GOSISDBHSA-N 445.368 3.863 0 40 IHAB COc1cccc(-c2noc(CNS(=O)(=O)c3cc(C(C)C)c(OC)cc3C)n2)c1 222597634 LVTREVJJVLBKLV-UHFFFAOYSA-N 431.514 3.664 0 40 IHAB COc1ccc(C)cc1N([C@@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2)S(C)(=O)=O 223235192 POIUBFKYZZWHAH-IRXDYDNUSA-N 430.570 3.524 0 40 IHAB CC[C@H](C(=O)NCCOc1cccc(C)c1C)N(c1cc(C)cc(C)c1)S(C)(=O)=O 223955484 HJHBWXGCTJWZOW-OAQYLSRUSA-N 432.586 3.660 0 40 IHAB COc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(OC)c(OC)c3)cc2)cc1 223989468 NONFVMPBJNTYHB-UHFFFAOYSA-N 442.493 3.766 0 40 IHAB Cc1ccccc1OCCNC(=O)CCCN(c1ccc2ccccc2c1)S(C)(=O)=O 224686969 OGOYEZDFNLYLPC-UHFFFAOYSA-N 440.565 3.890 0 40 IHAB COC(=O)CN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1ccc(Br)cc1 224740750 IAGUPXUPZJFVQN-UHFFFAOYSA-N 442.331 3.605 0 40 IHAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 225472568 GUQBKNNHGCZXOO-NRFANRHFSA-N 442.581 3.814 0 40 IHAB CCN(CC(=O)N(C)Cc1ccccc1F)S(=O)(=O)c1cc(Cl)ccc1Cl 226054710 QFOGGWPPTYKLHJ-UHFFFAOYSA-N 433.332 3.802 0 40 IHAB O=C(Cn1ncc2ccccc2c1=O)N1CCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1 257221261 DOEJAFAZVSCKDC-OAQYLSRUSA-N 448.910 3.992 0 40 IHAB COc1cccc(Nc2cc(C)nc([C@@H]3CCN(C(=O)Cn4nnc5ccccc54)C3)c2)c1 257273449 NGPXHFTVOPAORM-GOSISDBHSA-N 442.523 3.903 0 40 IHAB O=C(c1ccccc1Cn1cccn1)N1CCOC[C@H](Cc2ccc3ccncc3c2)C1 257279276 OFWBKAMSBSBLMT-OAQYLSRUSA-N 426.520 3.811 0 40 IHAB CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1CCN(Cc1cccc(OC3CCCC3)c1)C2 257297304 RGSLYUQSZMPWCT-FQEVSTJZSA-N 449.599 3.734 0 40 IHAB CCOc1ccc(N(CCCC(=O)N[C@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)cc1 260912641 BHJXLDMBHIEMMG-GOSISDBHSA-N 444.597 3.998 0 40 IHAB Cc1cccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)NCc3ccco3)CC2=O)c1C 302767581 MXYJYMZFIYODRT-GOSISDBHSA-N 431.492 3.818 0 40 IHAB COCCN1CC[C@@]2(CN(Cc3ccc(Cl)cc3)C[C@H]2c2cn(C(C)C)cn2)C1=O 306125219 CJQSKGUPFAVBAU-REWPJTCUSA-N 430.980 3.582 0 40 IHAB CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)N[C@@H](C)CCc2ccccc2)cc1 408597902 WHBKEYSLPVTLOS-RBUKOAKNSA-N 432.586 3.526 0 40 IHAB CCCCCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1OC 408622425 OKGNGCYNGNAXJB-UHFFFAOYSA-N 438.977 3.846 0 40 IHAB CCOC(=O)c1ccc(COC(=O)CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1 409181139 XPZFMHJAMVGAFF-UHFFFAOYSA-N 436.247 3.510 0 40 IHAB COC(=O)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc1 409224751 LPKBGHNDEIWLNO-LZYBPNLTSA-N 448.859 3.941 0 40 IHAB CC(C)Cc1nc(NC(=O)[C@@H](Cc2cn(C)c3ccccc23)NC(=O)OC(C)(C)C)n[nH]1 575444537 WZGVPZWOTDOGRY-QGZVFWFLSA-N 440.548 3.569 0 40 IHAB O=C(c1ccccc1)N1CC[C@H](C(=O)N2CCO[C@@H](c3ccccc3C(F)(F)F)C2)C1 1615055382 MFXASRNKCXPYQU-FXAWDEMLSA-N 432.442 3.768 0 40 IHAB Cc1ccccc1OCC(=O)Nn1c(COc2ccccc2C)nc2ccccc2c1=O 716034 QPFRCLRCPQKQFQ-UHFFFAOYSA-N 429.476 3.741 0 40 IHAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@@H](C)[C@H](c2cccs2)N2CCCC2)c1 3211579 WXCOWWSQUYQFTG-LAUBAEHRSA-N 449.642 3.734 0 40 IHAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C)[C@H](c2cccs2)N2CCCC2)c1 3211581 WXCOWWSQUYQFTG-DYESRHJHSA-N 449.642 3.734 0 40 IHAB CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)c1cc(C)n(C[C@H]2CCCO2)c1C 3310316 APKHKDQJAXLKHB-QGZVFWFLSA-N 432.542 3.960 0 40 IHAB CCn1c(SCc2cc(=O)n3cc(Br)ccc3n2)nnc1-c1ccco1 3356742 XXCBTKPULHLWFV-UHFFFAOYSA-N 432.303 3.621 0 40 IHAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=S)NCCCN(C)C)cc2c1 6197822 CZEYOHGDURESET-UHFFFAOYSA-N 436.625 3.919 0 40 IHAB CCCOC(=O)c1ccc(N2C[C@H](C(=O)O[C@H](CC)C(=O)c3ccccc3)CC2=O)cc1 8383865 BKQMFWSCFAJACA-TZIWHRDSSA-N 437.492 3.811 0 40 IHAB CCc1nnc(-c2cc3ccccc3n2CC(=O)NCCc2ccc(OC)c(OC)c2)o1 8769139 RSOGOVAACWHDLE-UHFFFAOYSA-N 434.496 3.630 0 40 IHAB CC(C)c1ccc(CN(C(=O)c2cc(=O)c3ccccc3o2)[C@H]2CCS(=O)(=O)C2)cc1 8868031 HUXZILCXBZUURT-IBGZPJMESA-N 439.533 3.746 0 40 IHAB COc1ccc2[nH]cc(CCNC(=O)COc3cc(C)cc4oc(=O)c(C)c(C)c34)c2c1 8880068 BVPYSYULUBGSPE-UHFFFAOYSA-N 434.492 3.946 0 40 IHAB biogenic C[C@@H](NC(=O)CN1C(=O)C(=O)N(CCC2=CCCCC2)C1=O)c1cccc2ccccc12 9256481 MVOBTPGGBLKKJK-QGZVFWFLSA-N 433.508 3.698 0 40 IHAB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cccn2-c2ccccc2F)C1=O 9265248 PKHVJAHALBZRCH-XSFVSMFZSA-N 432.455 3.710 0 40 IHAB COc1cccc2cc(-c3nnc(SCC(=O)Nc4nnc(C5CC5)s4)n3C)oc12 9302690 BXJAPQLEZRVXDD-UHFFFAOYSA-N 442.526 3.697 0 40 IHAB CCn1c(S[C@@H](C)C(=O)c2c(C)[nH]c3ccccc23)nc2cc(S(N)(=O)=O)ccc21 9645707 WZFWIEVPVURWLV-ZDUSSCGKSA-N 442.566 3.857 0 40 IHAB CC1CCN(S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)CCc3ccccc3)cc2)CC1 9668685 HGAYIHPIRDAVBM-HXUWFJFHSA-N 444.597 3.624 0 40 IHAB CCn1c(SCC(=O)c2ccc(C(C)(C)C)cc2)nc2cc(S(N)(=O)=O)ccc21 9729035 BOBPGQRGWIVVSG-UHFFFAOYSA-N 431.583 3.976 0 40 IHAB O=C(CSc1nccn(-c2ccc(Br)cc2)c1=O)Nc1ccccc1F 9761503 CFYIRFMUYXVOAG-UHFFFAOYSA-N 434.290 3.865 0 40 IHAB C[C@H]1CCN(C(=O)CNc2cccc(S(=O)(=O)N3CCCC3)c2)c2ccccc2S1 9876616 KYZPUBXJDGSNED-KRWDZBQOSA-N 445.610 3.801 0 40 IHAB COc1ccc(C(=O)N2CCCSc3ccccc32)cc1S(=O)(=O)N1CCCC1 9884461 AYAVZQUEMCRHAW-UHFFFAOYSA-N 432.567 3.622 0 40 IHAB CN(C)CCN(C(=O)CCCS(=O)(=O)c1ccc(F)cc1)c1nc2ccccc2s1 10218833 MAQKCHCARBOVOS-UHFFFAOYSA-N 449.573 3.584 0 40 IHAB COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(C)c(Cl)c2)CC1 10302994 OKFVMQYBELXOHS-UHFFFAOYSA-N 440.924 3.836 0 40 IHAB COC(=O)c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4C)[C@H](c4ccc(C)o4)[C@H]3C2=O)cc1 10434412 OCZMTJMEJFNJHE-YPAWHYETSA-N 446.459 3.734 0 40 IHAB Cc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)cc1 10708453 JQOLPTLQCWUCFA-UHFFFAOYSA-N 441.380 3.768 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(C(=O)O[C@H](C)C(=O)c2c[nH]c3ccccc23)ccc1F 11463587 NNOBNBHQYWVGEH-CQSZACIVSA-N 446.500 3.766 0 40 IHAB O=C(CNC(=O)c1ccc2nc(-n3cccc3)sc2c1)NCCc1ccc(Cl)cc1 12322290 GYYPYHHRDFMLKY-UHFFFAOYSA-N 438.940 3.829 0 40 IHAB COC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@H]1c1ccc(OC)c(OC)c1OC 12561843 OYSQRHWMCQGCHP-SFHVURJKSA-N 428.510 3.595 0 40 IHAB COc1ccc(N(Cc2cccs2)C(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)cc1 12568744 ZTLUPUJZILJBDG-QMHKHESXSA-N 441.553 3.791 0 40 IHAB CSCc1c(C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)oc2ccccc12 12772369 PJHMEYRQEQTFRW-UHFFFAOYSA-N 441.528 3.831 0 40 IHAB O=C(NC1CCCC1)[C@H](c1ccncc1)N(C(=O)c1csnn1)c1ccccc1F 12869940 ZGPDYMHYZCUSFZ-IBGZPJMESA-N 425.489 3.519 0 40 IHAB O=C(COC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1)NCc1cccs1 12875559 URPWMPMDLYZJTF-UHFFFAOYSA-N 442.562 3.786 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COc1ccc2c(c1)CCC2 12934152 UAUZDLCDFPIVKK-UHFFFAOYSA-N 428.554 3.676 0 40 IHAB C[C@H]1CN(C(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(F)cc2F)C[C@@H](C)O1 13098637 DNBDNDGABQLVKI-GASCZTMLSA-N 444.507 3.940 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)NCCc2nnc3c(C(F)(F)F)cc(Cl)cn23)c1 13592525 WNBYOTQTXVLNOB-UHFFFAOYSA-N 432.855 3.539 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(OC)c(OC)c3)cc2)cc1 15439193 KGIMYYLCBLEHHN-UHFFFAOYSA-N 442.493 3.766 0 40 IHAB COc1cc(CNCCc2ccccc2F)ccc1OCc1ccc2c(c1)n(C)c(=O)n2C 16363967 YYNNQETXOFOPEW-UHFFFAOYSA-N 449.526 3.936 0 40 IHAB COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)NCc2nnc3ccccn23)c1 18124205 YZLSITSTKOHEKG-UHFFFAOYSA-N 438.491 3.580 0 40 IHAB COc1cccc(CC(=O)N2CCC(c3nc(NC4CC4)ncc3-c3cc(C)no3)CC2)c1 19122875 KCZUZJXHNKHONB-UHFFFAOYSA-N 447.539 3.972 0 40 IHAB CC[C@@H](Oc1ccccc1F)C(=O)N1CCC(c2nc(-c3nccs3)cc(=O)[nH]2)CC1 19499368 PPRDYBSMLWSVFK-QGZVFWFLSA-N 442.516 3.596 0 40 IHAB CCNC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCCN(C(=O)c2ccnn2C)C1 19528703 YZJQPSPJYBACSZ-SANMLTNESA-N 430.552 3.688 0 40 IHAB CCNC(=O)[C@]1(Cc2cccc(-c3ccc(F)cc3)c2)CCN(C(=O)c2ccc(N)nc2)C1 19529007 INDRJPQGCBISQD-SANMLTNESA-N 446.526 3.681 0 40 IHAB COc1ccc(CC(=O)N2CCC(c3cc(C(=O)Nc4ccccc4OC)on3)CC2)cc1 19554103 MHOLNXIMMQCYAC-UHFFFAOYSA-N 449.507 3.893 0 40 IHAB COc1cccc([C@@H]2CN(Cc3cnc(N4CCCCC4)nc3)C[C@]23CCCCC(=O)N3)c1 19566132 WAHSDQHIWVYLOK-JYFHCDHNSA-N 449.599 3.504 0 40 IHAB COc1ccccc1NC(=O)c1cc([C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)no1 19571338 WSNUDWNJIPVBGI-MRXNPFEDSA-N 441.509 3.504 0 40 IHAB CCOc1ccc(CN2[C@H](Cc3cccc(F)c3)C[C@@H]3NC(=O)CCCC[C@H]32)cc1CO 19713892 RDTFDEWVBZAFMU-TZRRMPRUSA-N 440.559 3.961 0 40 IHAB Cc1nc([C@@H]2CCCCN2C(=O)COC(C)C)nc2c1CC(=O)N2CC1CCCCC1 19739634 DETSMUSCKNXJJW-FQEVSTJZSA-N 428.577 3.733 0 40 IHAB CCCCCNC(=O)c1cc(OC)c(OC)cc1N(Cc1ccccc1)S(C)(=O)=O 22253675 KXWHHVHOOXZPMH-UHFFFAOYSA-N 434.558 3.590 0 40 IHAB COc1ccc(C(=O)COC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)cc1F 23274494 WGIGVGFBUJQKSJ-UHFFFAOYSA-N 427.428 3.987 0 40 IHAB COc1cc(C(C)=O)ccc1OC[C@@H](O)CSc1nc(NC2CC2)c2ccccc2n1 23401523 IEBVTBVBVBCQEH-QGZVFWFLSA-N 439.537 3.947 0 40 IHAB Cc1ccc2oc(C(=O)N3CCN(Cc4ccc(Br)s4)CC3)cc(=O)c2c1 24601235 ZGPLAFAATQHIPJ-UHFFFAOYSA-N 447.354 3.883 0 40 IHAB O=C(Nc1cccc(-c2ccn[nH]2)c1)[C@@H]1CC(=O)N(c2ccccc2Br)C1 24894093 SFFWUPPUYJDRCI-CQSZACIVSA-N 425.286 3.831 0 40 IHAB CCOC(=O)c1sc2cccc(F)c2c1COC(=O)c1ccc(CNC(N)=O)cc1 26561768 BDESEPPBNWOXCV-UHFFFAOYSA-N 430.457 3.742 0 40 IHAB O=C(OCC(=O)N1CCCCCCC1)[C@H]1CCCC[C@H]1C(=O)N1CCc2ccccc21 27237094 BLZPQCCYJNFXKM-RTWAWAEBSA-N 426.557 3.718 0 40 IHAB Cc1nn(-c2ccccc2)c2sc(C(=O)O[C@H](C)C(=O)N3C[C@@H](C)O[C@H](C)C3)cc12 28671481 VYJIQIVRAICGTH-IIAWOOMASA-N 427.526 3.577 0 40 IHAB CCCCN1C(=O)COc2ccc(NC(=O)c3cc(-c4ccc5c(c4)OCCO5)on3)cc21 32593484 ARMZGFPBOALOOW-UHFFFAOYSA-N 449.463 3.891 0 40 IHAB CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)CCSc1ccc(F)cc1 32999592 VGUOXRRAJPHLOD-UHFFFAOYSA-N 445.516 3.610 0 40 IHAB Cc1ccc2[nH]c3c(SCC(=O)N4CCN(c5ccc(F)cc5)CC4)ncnc3c2c1 33172526 RAVNHMVXNPSKSD-UHFFFAOYSA-N 435.528 4.000 0 40 IHAB CS(=O)(=O)c1ccccc1C(=O)Nc1c2c(nn1-c1nc3ccccc3s1)CCC2 35596711 GMSNRSPOLIGCHB-UHFFFAOYSA-N 438.534 3.627 0 40 IHAB COc1cc2c(cc1OC)[C@@H](C)N([C@@H]1CC(=O)N(c3cccc(C(F)(F)F)c3)C1=O)CC2 35808541 ATTOXUAMESEZOQ-FZKQIMNGSA-N 448.441 3.974 0 40 IHAB CCOc1ccc(-c2nc(Cn3nnc(C(=O)Nc4cccc(OC)c4)c3N)c(C)o2)cc1 49004396 MLVNGDSWQANPEZ-UHFFFAOYSA-N 448.483 3.532 0 40 IHAB O=C(Nc1nnc(COc2ccccc2)s1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 49550937 KBKMVFKDKIIQGL-CYBMUJFWSA-N 428.901 3.762 0 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Cc1nn(C)c(C)c1[C@@H](NC(=O)[C@@H](C)Oc1ccc(Br)cc1)C(F)(F)F 78968498 DMBUOKKGQRBEHD-IAQYHMDHSA-N 434.256 3.987 0 40 IHAB Cc1nc(CNC(=O)c2ccc(Cl)c(I)c2)c2n1CCCC2 95448267 ABRZSKQJEOPCOB-UHFFFAOYSA-N 429.689 3.716 0 40 IHAB O=C(Nc1ccc2ncc(Cl)n2c1)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 95464831 NVTLRFOAAFDGCJ-HNNXBMFYSA-N 447.720 3.994 0 40 IHAB Cn1c(=O)n(CCC(=O)N2CCCCC[C@@H]2c2noc(-c3ccccc3)n2)c2ccccc21 96001337 MOKGQPFOKVRMIR-OAQYLSRUSA-N 445.523 3.924 0 40 IHAB O=C(NCc1ccccc1)[C@H]1C[C@]2(CO1)CN(C(=O)c1ccc(F)cc1)c1ccccc12 96262491 DFSSZCYYUHCPPK-ZEQKJWHPSA-N 430.479 3.829 0 40 IHAB CC(=O)Oc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(F)cc4)[C@H]3C2=O)cc1 100662899 UVAZWQPBCIEZCG-VJBWXMMDSA-N 446.434 3.802 0 40 IHAB Cc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H]([C@H]6C[C@H]56)[C@H]4C3=O)cc2)cc1 101221729 DSQGBAWXLOHXGX-DRRJAYDASA-N 441.483 3.592 0 40 IHAB Cc1ccccc1-c1noc(CN2N=N[C@H]3C(=O)N(c4ccc(C(C)C)cc4)C(=O)[C@H]32)n1 101262374 AEJGYEDVKNVTJQ-UXHICEINSA-N 430.468 3.662 0 40 IHAB 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IHAB C[C@]1(C(=O)Nc2ccc(N3CCOCC3)cc2)CCC(=O)N1CCc1c[nH]c2ccccc12 575443900 UUSNRMBIHDMANV-AREMUKBSSA-N 446.551 3.567 0 40 IHAB CCc1nccn1CCOc1ccc(CN2C[C@H](O)[C@@H](Oc3ccc(C)c(C)c3)C2)cc1 585268846 XOKPRMKOMRVQGD-DQEYMECFSA-N 435.568 3.765 0 40 IHAB CCO/C([O])=C(/CCc1ccccc1)N/C(C)=C(/O)[N+]1=C(C(=O)O)Cc2ccccc2C1 1560407512 NFQDMBUZXSGYKZ-HAVVHWLPSA-O 436.508 3.886 0 40 IHAB CC(C)Oc1ccccc1CN1CC[C@H]2[C@H](CC(=O)NCCC3CCOCC3)OC[C@H]2C1 1565551476 FXHYTPHCYTXUGH-OYRHQHFDSA-N 444.616 3.634 0 40 IHAB C=CC(=O)Nc1cccc(Nc2cc(N3CCCC[C@H]3CCO)nc3c(CC)cnn23)c1 1857523975 CDCHESFKYUNJPV-FQEVSTJZSA-N 434.544 3.901 0 40 IHAB COc1cc(NC(=O)N2CCC(Nc3cc(C(F)(F)F)ncn3)CC2)cc(OC)c1 1888885526 ZXODYXDBSGJNIW-UHFFFAOYSA-N 425.411 3.621 0 40 IHAB COc1ccc(-c2cc3ncn(CC(=O)NCc4ccc(C)c(F)c4)c(=O)c3s2)cc1 11294809 AUOXJAVQQBJXTO-UHFFFAOYSA-N 437.496 3.898 0 40 IHAB CCOc1ccc([C@H](C)NC(=O)c2cc(C)c(C)c(S(=O)(=O)N(C)C)c2)cc1OCC 36758730 NKDPEBCIZCBSEI-KRWDZBQOSA-N 448.585 3.842 0 40 IHAB Cc1nc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)sc1SCC(N)=O 31798346 FZNUVNOWFNKKTB-UHFFFAOYSA-N 443.579 3.990 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)cc1 8614071 ULFDPDSGMBYAAI-UHFFFAOYSA-N 430.526 3.608 0 40 IHAB O=C(OCc1cc(=O)n2cc(Br)ccc2n1)c1cnc(Cl)c(Cl)c1 2616346 JDUMOOMBGSLRNA-UHFFFAOYSA-N 429.057 3.516 0 40 IHAB CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)ccc1O[C@@H](C)CC 107771201 UTEVYQZJQHSWQI-FMNVXAMXSA-N 442.468 3.735 0 40 IHAB COc1ccc(CCC2CCN(c3ccc(S(=O)(=O)N4CCCC4)cn3)CC2)cc1 32857668 JIIXLKZGZMJSLV-UHFFFAOYSA-N 429.586 3.724 0 40 IHAB CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NCc3ccccc3C)cc2)cc1 9753203 QPZHSUHDKJSSQP-UHFFFAOYSA-N 436.533 3.606 0 40 IHAB Cc1nc(-c2ccsc2)sc1C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 21707672 AIHLYWHZSBFDLB-UHFFFAOYSA-N 433.580 3.633 0 40 IHAB Cn1nnnc1-c1cccc(NC(=O)CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)c1 102626477 FHWDHTHSFDTHNA-RCRDTURJSA-N 430.350 3.940 0 40 IHAB CC(=O)c1ccc(NC(=O)Cn2cnc3c(oc4nc(C(C)C)c5c(c43)CCC5)c2=O)cc1 12324608 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COc1ccc2c(c1OC)C(=O)N1c3ccccc3-c3nc(=O)c(-c4ccccc4)nn3[C@H]21 69701079 CTONKXKTFJZHAQ-XMMPIXPASA-N 438.443 3.510 0 40 IHAB CCOCCCn1c(SCC(=O)NCc2ccc(F)cc2F)nc2ccccc2c1=O 67290993 GLGWRHVBLNWBDX-UHFFFAOYSA-N 447.507 3.510 0 40 IHAB CN(Cc1ccc(Cl)cc1Cl)C(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 17967591 ANGLLMQXUZNGGH-UHFFFAOYSA-N 427.353 3.978 0 40 IHAB Cc1ccc(Cc2nn3c(SCC(=O)Nc4ccc(Cl)cc4)nnc3nc2O)cc1 15882065 SDWKAGFGMLYXCB-UHFFFAOYSA-N 440.916 3.508 0 40 IHAB COc1ccc(NC(=O)CN(C)CC(=O)Nc2ccccc2Br)cc1Cl 9491511 RPSFIKZWQUCDRO-UHFFFAOYSA-N 440.725 3.620 0 40 IHAB COC(=O)[C@H](c1cc(F)c(F)c(F)c1)N(C)CC(=O)N[C@H](c1ccc(C)cc1)C1CC1 84148656 IHNUACMOVHBJPK-YADHBBJMSA-N 434.458 3.826 0 40 IHAB Cc1ccc(NC(=O)CN2CCN(CCC(=O)Nc3c(Cl)cccc3Cl)CC2)cc1 22930300 NOGIDEYXLPIOCG-UHFFFAOYSA-N 449.382 3.887 0 40 IHAB COc1ccc(-n2cnc3cc(C(=O)Nc4cccc(NC(C)=O)c4)ccc3c2=O)cc1 94993035 WGIGFKUVPLVZSO-UHFFFAOYSA-N 428.448 3.605 0 40 IHAB O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1cc(N2CCNC2=O)c(F)cc1F 84490396 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3.833 0 40 IHAB CCOC(=O)COc1ccc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc1OC 408780318 AYQPFGSJXXMQMA-BXDIUNCMSA-N 442.537 3.799 0 40 IHAB CC(C)(C)NC(=O)CSc1nc2ccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)cc2s1 33574063 WEXXRQGWVGTJBI-OKILXGFUSA-N 431.583 3.983 0 40 IHAB COCCNC(=O)c1sc2ccccc2c1[C@@H]1CCN(C(=O)c2oc(C)nc2C)C1 72352483 ZRKQHPNRWDHDIL-OAHLLOKOSA-N 427.526 3.512 0 40 IHAB CCCN1CCN(C(=O)c2cnc(C)cn2)[C@@H](Cc2cccc(-c3ccccc3)c2)C1=O 72351814 SJHTYYPAOQWTKB-DEOSSOPVSA-N 428.536 3.758 0 40 IHAB CCc1cccc(C)c1N(CCCC(=O)NCCOc1cccc(C)c1)S(C)(=O)=O 224842925 ORZBBLTZKFAHSA-UHFFFAOYSA-N 432.586 3.607 0 40 IHAB CCc1ccc(OCC(=O)N(Cc2cccc(OC)c2)[C@@H](C)C(=O)NCC(C)C)cc1 224444861 CTUDDIDGSWRFLM-IBGZPJMESA-N 426.557 3.826 0 40 IHAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2C2CCCC2)N1CCCN1CCOCC1 223178564 VCGFUCVAIFGXML-PKTZIBPZSA-N 439.629 3.693 0 40 IHAB COc1ccccc1OCCNC(=O)C1CCN(Cc2ccc(Br)cc2)CC1 224547404 LYLKCFWNKSLNQL-UHFFFAOYSA-N 447.373 3.865 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC3(CC2)CC(=O)c2ccc(C)cc2O3)cc1Cl 225817053 DYDAEADQWROSRP-UHFFFAOYSA-N 435.929 3.846 0 40 IHAB Cc1ccc(-c2nnc(NC(=O)CN(c3ccc(C)cc3C)S(C)(=O)=O)s2)cc1 224411919 YJEHNWVUIOZNTO-UHFFFAOYSA-N 430.555 3.535 0 40 IHAB COCc1cccc(NC(=O)CCCN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)c1 224808897 ZBEHLBMWWWTLPM-UHFFFAOYSA-N 428.913 3.810 0 40 IHAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccccc3C(=O)NC[C@H]3CCCO3)cc2)n1 225290266 WLCRXPBAYHCFKL-OAQYLSRUSA-N 432.524 3.709 0 40 IHAB O=C(OCc1cccs1)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1 40034702 INBSCROBWCUMDZ-INIZCTEOSA-N 444.372 3.797 0 40 IHAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1F 222555111 JHFYNJAKCYTBPE-LAUBAEHRSA-N 430.520 3.935 0 40 IHAB CCN(Cc1ccc(C(=O)NC2CCCCC2)cc1)S(=O)(=O)c1ccc(OC)cc1 224463819 DMNOTQOXBNDGGO-UHFFFAOYSA-N 430.570 3.969 0 40 IHAB COc1ccc(-c2ncnc3c2c(C(=O)N2CCC(N(C)C)CC2)c2ccccn23)cc1 96264359 PLZVVVIBMGVHBP-UHFFFAOYSA-N 429.524 3.724 0 40 IHAB Brc1ccccc1-c1nnc(CN2CCN(CCOc3ccccc3)CC2)o1 96125827 ZMOLUYYBTZHQTL-UHFFFAOYSA-N 443.345 3.696 0 40 IHAB Cc1ccc(CN2C(=O)[C@@H]3[C@H](c4ccccc4)[C@H]4C=C[C@@]3(O4)[C@H]2C(=O)NC2CCCC2)cc1 245227872 XCVNSRUWIFGCQF-MOBZEUQDSA-N 442.559 3.872 0 40 IHAB Cc1cccc(N2C[C@H](C(=O)Oc3cccc(N4C(=O)[C@@H]5CCCC[C@H]5C4=O)c3)CC2=O)c1 248133368 XXXPCPUOTCUUOK-ZPMCFJSWSA-N 446.503 3.633 0 40 IHAB CNc1cc(C)nc([C@]2(C)CCCN(C(=O)C3(c4cccc(F)c4)CCOCC3)C2)n1 257203900 ASDJTSKRBUYZRP-HSZRJFAPSA-N 426.536 3.594 0 40 IHAB Cc1cnn(CC(=O)N2CCC[C@H](c3nc(N(C)C)ncc3-c3ccc(Cl)cc3)C2)c1 257286006 PJTQQVJBJDWZON-SFHVURJKSA-N 438.963 3.774 0 40 IHAB COc1cccc(Cc2cnc([C@@H]3CCCN(C(=O)CN(C)Cc4ccccn4)C3)o2)c1 257200917 AFILEJHEACQJAO-HXUWFJFHSA-N 434.540 3.507 0 40 IHAB CC(C)NC(=O)C1(Cc2cccc(-c3cncnc3)c2)CCN(C(=O)c2ccncc2)CC1 257292896 QNJXKCCJCBUVFS-UHFFFAOYSA-N 443.551 3.528 0 40 IHAB O=C(Cc1c[nH]c2ccccc12)N1CCO[C@@H](c2cc(CCOc3ccccc3)[nH]n2)C1 257218843 DEORVIDNRVPOAW-XMMPIXPASA-N 430.508 3.655 0 40 IHAB COC(=O)[C@@H]1CN(C(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)c2ccccc2O1 260825650 IOUMJKRXAIVOLK-UWJYYQICSA-N 428.916 3.519 0 40 IHAB COc1ccccc1Oc1ccc(N[C@H]2CC(=O)N(Cc3ccc(C(=O)O)cc3)C2=O)cc1 608016586 ROPHLKIFIOKLPT-FQEVSTJZSA-N 446.459 3.925 0 40 IHAB Cc1c(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)c2ccccc2n1C 1008672 XQGRXDCOLAMDRJ-KEBDBYFISA-N 449.488 3.890 0 40 IHAB CC(=O)Nc1ccc(NS(=O)(=O)c2cc(Br)ccc2Br)cc1 11635201 YCBDOYOJADHPTI-UHFFFAOYSA-N 448.136 3.971 0 40 IHAB CC[C@@H](Cn1nc(-c2ccc(F)c(F)c2)ccc1=O)NC(=O)Cc1c[nH]c2ccccc12 12185248 RCFPYHYXOQOPQH-KRWDZBQOSA-N 436.462 3.807 0 40 IHAB COc1ccc(C(=O)C2CCN(C(=O)[C@H](NC(=O)c3ccccc3F)C(C)C)CC2)cc1 12740231 MPHVXTQRGHIMOB-JOCHJYFZSA-N 440.515 3.710 0 40 IHAB CCc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2cccnc2)C(=O)c2csnn2)cc1 12874683 IUPKAUGFJOXBFU-QFIPXVFZSA-N 449.580 3.938 0 40 IHAB COC(=O)c1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccnc2)cc1 13025308 VIVJPWILEOOBPI-JOCHJYFZSA-N 447.491 3.908 0 40 IHAB COc1ccc([C@H](c2nnnn2C(C)C)N2CCN(c3nc4ccccc4s3)CC2)cc1 13504326 DZXOSNUJHYUMLG-OAQYLSRUSA-N 449.584 3.784 0 40 IHAB CCOc1cccc(NC(=O)CCCN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)c1 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442.468 3.690 0 40 IHAB O=C1N[C@@]2(C[C@H]3CC[C@H]2C[C@H]3C(=O)NCCc2c[nH]c3ccccc23)Nc2ccccc21 100117637 HELBLMPCAFIJQG-PJLQONCMSA-N 428.536 3.815 0 40 IHAB Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3cccc(Cl)c3)c(=O)n2C)c1C 10104930 COBLMITVLPUGSE-UHFFFAOYSA-N 449.942 3.757 0 40 IHAB CCOc1ccccc1C(=O)NC(Nc1nnc(C)s1)(C(F)(F)F)C(F)(F)F 721247 XGVCPKWLNXCAOJ-UHFFFAOYSA-N 428.358 3.908 0 40 IHAB Cc1nc(NC(=O)CSc2nnc3c(C)cc4cc5c(cc4n23)OCCO5)sc1C 877453 UPDZUQATMGZZHX-UHFFFAOYSA-N 441.538 3.766 0 40 IHAB O=C(O)/C=C/C(=O)NCc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 2628655 BJXCGXTWMPCNRH-ZHACJKMWSA-N 426.270 3.559 0 40 IHAB O=C(CCCCCn1c(=S)[nH]c2ccccc2c1=O)NCc1ccc2c(c1)OCO2 2970585 RQUKVQUZBNLRMN-UHFFFAOYSA-N 425.510 3.665 0 40 IHAB COc1ccc(S(=O)(=O)N(C(C)=O)c2cc3sc(=O)oc3c3ccccc23)cc1 3653859 YCJRTKDGBCCKBT-UHFFFAOYSA-N 429.475 3.758 0 40 IHAB CC(C)c1ccc(N(CC(=O)NC2CCCCC2)C(=O)CNC(=O)c2ccco2)cc1 4875940 YHLXEQMSDWZCQU-UHFFFAOYSA-N 425.529 3.615 0 40 IHAB Cc1ccc(-n2nc3c(c2NC(=O)c2ccccc2Br)C[S@](=O)C3)cc1 6529460 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CCOc1ccc(C(c2c(O)cc(C)n(CC)c2=O)c2c(O)cc(C)n(CC)c2=O)cc1 10217747 QKIJXQKQPMUJCG-UHFFFAOYSA-N 438.524 3.657 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 10433861 XPZQCPUVKWBZDP-AWEZNQCLSA-N 438.933 3.618 0 40 IHAB CCOC(=O)c1ccc(C)c(NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)c1 10444817 FVDNNVMWHROWGM-UHFFFAOYSA-N 438.933 3.538 0 40 IHAB CCNS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)cc1 10552721 SNIURJXBEKSNOR-UHFFFAOYSA-N 427.551 3.849 0 40 IHAB COc1cc(NC(=O)[C@@H](NC(=O)c2ccccc2Cl)C(C)C)ccc1N1CCCC1=O 11445819 ZISIEPOODKWBOI-NRFANRHFSA-N 443.931 3.869 0 40 IHAB CS(=O)(=O)c1cccc(NS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 12507959 CLSDXLNRPPHZCC-UHFFFAOYSA-N 447.378 3.929 0 40 IHAB COC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@H]1c1ccc(F)c(F)c1 12523222 JUQYPVHPXNQOAE-IBGZPJMESA-N 432.448 3.619 0 40 IHAB O=C(CNC(=O)c1cccc(F)c1)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 12785043 JBVHTPFDGKFQBV-UHFFFAOYSA-N 442.494 3.784 0 40 IHAB O=C1COc2ccc(C(=O)COC(=O)c3ccc4noc(-c5ccccc5)c4c3)cc2N1 12884090 CMHBRPUNNQMJNL-UHFFFAOYSA-N 428.400 3.865 0 40 IHAB CCOCc1c(C(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)oc2ccccc12 12995770 LOGDWKHXBSZCMD-UHFFFAOYSA-N 449.551 3.983 0 40 IHAB CC[C@@H](C)c1ccccc1NS(=O)(=O)c1sc(C(=O)OC)c(C)c1C(=O)OC 13135428 JOLIJQLVDJODFX-LLVKDONJSA-N 425.528 3.944 0 40 IHAB NC(=O)c1c(NC(=O)CN2CCc3sccc3[C@@H]2c2ccccc2)sc2c1CCC2 13164799 MRRYZSVPLHNTPD-NRFANRHFSA-N 437.590 3.983 0 40 IHAB O=c1c2c3c(sc2ncn1C[C@@H](O)COc1ccc(Br)cc1)CCCC3 14184106 NAFNSHAAHDYHLJ-CYBMUJFWSA-N 435.343 3.539 0 40 IHAB CCC[C@@H](C)NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 14411061 JGDIDZJRSRYUIQ-GOSISDBHSA-N 448.585 3.821 0 40 IHAB O=C(Cn1nc(C2CCCCC2)n(-n2cccc2)c1=S)Nc1ccccc1C(=O)O 16778011 JCDBEUHJIFELTL-UHFFFAOYSA-N 425.514 3.912 0 40 IHAB COc1ccc(CC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c(OC)c1 18079175 JBUDUJBOVBQBCK-UHFFFAOYSA-N 443.853 3.662 0 40 IHAB CS(=O)(=O)c1nc2ccccc2n1CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 18381023 TWNGPDRPPMQGEA-UHFFFAOYSA-N 443.544 3.940 0 40 IHAB COC(=O)[C@@]1(c2ccccc2)N[C@@H](c2ccccc2C)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 19237021 SVOQZGUANHTOFH-GGLGADRISA-N 440.499 3.514 0 40 IHAB CCN1CCN(C(=O)Cc2cccnc2)C[C@H](Cc2cccc(-c3ccccc3)c2)C1=O 19527495 WMGTXKWREILHMP-VWLOTQADSA-N 427.548 3.841 0 40 IHAB CCOC(=O)c1cnn2c1N[C@@H](C1CCN(Cc3ccncc3)CC1)C[C@H]2C(F)(F)F 19530980 JPXZHEARQMJWEB-MSOLQXFVSA-N 437.466 3.655 0 40 IHAB CSCC[C@H](NC(=O)c1cc2cc(F)ccc2[nH]1)c1cc(=O)[nH]c(-c2ccccn2)n1 19573898 XWULIOAGMQTIPM-INIZCTEOSA-N 437.500 3.677 0 40 IHAB COc1cccc(CN2CC[C@@H](c3c(CNC(C)=O)cnn3-c3ccc(C)cc3)C2)c1F 19708014 BEVCUBYTSIWSDL-HXUWFJFHSA-N 436.531 3.954 0 40 IHAB CC1CCN(CCC(=O)N2CCCC[C@@H]2c2cc(C(F)(F)F)c3c(N)n[nH]c3n2)CC1 19743427 OBOYRBWWRYAMIU-MRXNPFEDSA-N 438.498 3.735 0 40 IHAB CCOc1ccc(/C=c2/sc3nc(-c4ccc(Cl)cc4)nn3c2=O)cc1OCC 19808141 NTDMTOCNWFQXKH-LDADJPATSA-N 427.913 3.817 0 40 IHAB CCN(CC(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(OC)c(C)c1 19929731 DZUMBUVUJFVUMA-UHFFFAOYSA-N 430.448 3.672 0 40 IHAB O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1)Nc1cccc(Cl)c1 19935280 LHSRRTOPVRVWCC-UHFFFAOYSA-N 429.325 3.795 0 40 IHAB CCC[C@H](C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1OC 20009892 VZNRBEOPQUGAFV-YJBOKZPZSA-N 438.977 3.543 0 40 IHAB CCCCn1c(COC(=O)c2ccc3ccccc3c2)nc2cc(S(N)(=O)=O)ccc21 21168230 QKOHDZAAZYDHMR-UHFFFAOYSA-N 437.521 3.994 0 40 IHAB CCc1ccccc1N1C[C@H](C(=O)NCc2cc(Cl)c3c(c2)OCCCO3)CC1=O 24323965 XTKXHVNVYFZOSF-QGZVFWFLSA-N 428.916 3.733 0 40 IHAB C[C@H](C(=O)Nc1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1)n1cncn1 24583585 YJTAZUBLQCOMSR-CQSZACIVSA-N 427.892 3.927 0 40 IHAB O=C(CSc1nnc(-c2ccc(F)cc2)o1)N1CCN(Cc2ccc(Cl)cc2)CC1 24754566 GYUJMTCSATXILW-UHFFFAOYSA-N 446.935 3.966 0 40 IHAB C[C@H](Sc1nc2cc(S(=O)(=O)N(C)C)ccc2o1)C(=O)NCCC1=CCCCC1 24982946 PSBQWPVEPMMZAI-AWEZNQCLSA-N 437.587 3.565 0 40 IHAB CCc1ccc(-c2nc(CC(=O)N(Cc3ccco3)[C@@H]3CCS(=O)(=O)C3)cs2)cc1 25818242 NNKZCZJDALTXNG-LJQANCHMSA-N 444.578 3.724 0 40 IHAB COCCn1c(S[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)nc2cc(Cl)ccc21 27073011 YYHIBUDCTDDLOY-ZDUSSCGKSA-N 444.944 3.802 0 40 IHAB O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ccc(CN2C(=O)CCC2=O)cc1 28686022 WLSRIZCZLUBRGJ-UHFFFAOYSA-N 433.489 3.646 0 40 IHAB O=C(C[C@H]1SC(N2CCCC2)=NC1=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 28757061 QFKPQHRYONQFOS-GOSISDBHSA-N 441.940 3.993 0 40 IHAB O=C(N[C@@H](c1cccs1)C1CCCC1)C1CCN(S(=O)(=O)c2cccnc2)CC1 31803324 LYMCPNOIFWCUNQ-HXUWFJFHSA-N 433.599 3.592 0 40 IHAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OCCCO4)o2)cc1OC 32604169 LNEABBXNIQXYDP-UHFFFAOYSA-N 443.481 3.646 0 40 IHAB COc1ccccc1Nc1nc(N)nc(CSc2nnc(-c3ccc(F)cc3)o2)n1 32853896 ZUWPMJVROGOTDK-UHFFFAOYSA-N 425.449 3.687 0 40 IHAB Cc1nc(S[C@@H](C)C(=O)Nc2ccc(Br)cc2F)sc1CC(N)=O 32871386 XDFIDIPKXFPORH-QMMMGPOBSA-N 432.340 3.500 0 40 IHAB O=C(NCc1ccccc1Cn1ccnc1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 32882551 LIFCSRDNPKNTPZ-UHFFFAOYSA-N 443.473 3.878 0 40 IHAB O=C(NCCCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 32987984 YHHFQEWWBGNFNC-LJQANCHMSA-N 428.916 3.985 0 40 IHAB CCn1c(SCC(=O)NC2CCCCC2)nnc1[C@H](C)NC(=O)c1ccccc1C 33728231 PKTKMLRMHNADOR-INIZCTEOSA-N 429.590 3.638 0 40 IHAB Cc1cc(N(CC(=O)Nc2ccc(Cl)cc2)S(C)(=O)=O)ccc1Br 33759125 IHNRCKFRTNNLPI-UHFFFAOYSA-N 431.739 3.816 0 40 IHAB CCc1ccccc1NC(=O)CSc1nnc([C@H](C)NC(=O)c2ccccc2F)n1C 35169476 KNRYNCJCQUHUKA-AWEZNQCLSA-N 441.532 3.738 0 40 IHAB CCCn1c(SCC(=O)Nc2nnc(-c3ccccc3)s2)nnc1-c1cccnc1 35288850 XRFZJEAGUQHCPR-UHFFFAOYSA-N 437.554 3.999 0 40 IHAB CC1(C)C[C@@H]2C[C@@](C)(CN2[C@H](C(=O)O)c2c[nH]c3cc(NC(=O)/C=C/C(=O)O)ccc23)C1 36357478 OGOIDEGCILKTIU-VSBRJSFKSA-N 439.512 3.774 0 40 IHAB CC(C)[C@H](CO)NC(=O)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 36575831 CPBNLIHBFKCVBZ-ZCYQVOJMSA-N 430.548 3.809 0 40 IHAB CCn1cc(CN(C)C(=O)c2cc(-c3ccc(OC)cc3)nc3c2c(C)nn3C)c(C)n1 36613535 FUOMVBURMASGJC-UHFFFAOYSA-N 432.528 3.749 0 40 IHAB Cc1nn(-c2ccc3nnc(C)n3n2)c2c1[C@H](c1ccccc1OC(F)(F)F)CC(O)=N2 40288277 PTCAAQWKVRTXEK-ZDUSSCGKSA-N 443.389 3.949 0 40 IHAB Cc1ccc(C)c(Sc2cc(N3CCC(C(=O)NCCN4CCCC4)CC3)ncn2)c1 49402028 ORONHENALKNTLH-UHFFFAOYSA-N 439.629 3.673 0 40 IHAB Cc1cc(Br)c(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1Cl 54363123 WGVIJLZJYBGNSS-UHFFFAOYSA-N 429.767 3.922 0 40 IHAB COc1cc2c(cc1OC)n(Cc1ccccc1F)c(=O)n1nc(-c3ccccc3)nc21 65534788 UKKLNKAQYWNLFP-UHFFFAOYSA-N 430.439 3.916 0 40 IHAB O=C(NCCc1c[nH]c2ccc(F)cc12)c1ccc(N2CCCCS2(=O)=O)cc1Cl 71285483 NJIRFZZPLJIVFU-UHFFFAOYSA-N 449.935 3.863 0 40 IHAB CC1(C)N=C(c2ccc(F)cc2)C(=O)N1CC(=O)Nc1ccc(Br)cc1F 71769018 DHDQBTROXYLSNI-UHFFFAOYSA-N 436.256 3.733 0 40 IHAB O=C1c2cc(NS(=O)(=O)Cc3cc(F)cc(F)c3)ccc2OCC[C@@H]2CCCCN12 77200954 DCTBBVMUSMMPPI-SFHVURJKSA-N 436.480 3.684 0 40 IHAB CN(CC1CCCC1)C(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 83859110 XYWOHFANZMAXGO-UHFFFAOYSA-N 432.508 3.755 0 40 IHAB CCOc1c(Cl)cc(C(=O)Nc2cccc(C(=O)N3CCC[C@H](CO)C3)c2)cc1OC 95465522 LRPYGPUXBLVRIR-HNNXBMFYSA-N 446.931 3.844 0 40 IHAB O=C(COc1ccc(OC(F)(F)F)cc1)Nc1ccc2c(c1)C(=O)N1CCC[C@H]1C(O)=N2 95473809 LSRKRPFUWKMAEK-KRWDZBQOSA-N 449.385 3.809 0 40 IHAB CCCS(=O)(=O)N1CCC2(CC1)C[C@H](CC(=O)Nc1cccnc1)c1ccccc1O2 96079946 WEYPSLGFYVCWKM-SFHVURJKSA-N 443.569 3.551 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc(OC)c3)cc2)cc1 107865924 ULGGIXLFMNYSJA-UHFFFAOYSA-N 442.493 3.522 0 40 IHAB CCOc1ccccc1NC(=O)[C@H](C)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 113940485 VYXIPCJICWCBIT-ZDUSSCGKSA-N 426.922 3.541 0 40 IHAB CCc1ccccc1O[C@@H](C)C(=O)N(C)Cc1nc(-c2ccc(OC)cc2OC)no1 219297103 DOQZUDDVSWNZLZ-HNNXBMFYSA-N 425.485 3.742 0 40 IHAB CCCOc1ccccc1CCCNC(=O)[C@H](C)N(c1cccc(C)c1)S(C)(=O)=O 220149061 CEFLSQPNHIBPRF-IBGZPJMESA-N 432.586 3.687 0 40 IHAB CCNC(=O)c1cc(S(=O)(=O)N[C@H]2CC(CC)(CC)Oc3ccccc32)ccc1OC 223225969 WRLJHTIBEBCHJM-IBGZPJMESA-N 446.569 3.806 0 40 IHAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2Cc2ccccn2)N1Cc1cccnc1 223473611 FAVFWLZEAYSFJS-XZOQPEGZSA-N 426.549 3.894 0 40 IHAB CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)NCCOCc2ccccc2)cc1 223748092 CYZDOONKNRLTDY-UHFFFAOYSA-N 438.549 3.599 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCOc1ccc(C(C)(C)C)cc1 224098470 BAGSGWXXMYTLEH-UHFFFAOYSA-N 444.597 3.886 0 40 IHAB COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)cc1 224557740 PIOGMYWTDVGBHV-UHFFFAOYSA-N 426.494 3.686 0 40 IHAB O=C(c1ccc(NC(=S)NCc2nc(-c3cccs3)no2)cc1)N1CCCCC1 225827749 PFRPCHBZYVAQHB-UHFFFAOYSA-N 427.555 3.911 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc3sc(C(=O)N4CCCC4)cc3c2)cc1OC 408713038 HQSPIMAWIZRTOH-UHFFFAOYSA-N 446.550 3.955 0 40 IHAB CCN1C(=O)/C(=C\c2cc(OC)c(OCC(=O)O)cc2Br)c2ccccc21 409121499 XLKUMVPSKMOLLA-ZSOIEALJSA-N 432.270 3.828 0 40 IHAB COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(SC)c3)C2=O)cc1O 409152474 FMYMMZZZGZFHIF-RQZCQDPDSA-N 430.507 3.798 0 40 IHAB COc1ccc(CNC(=O)CN2C(=O)S/C(=C\c3ccc(OC)c(Cl)c3)C2=O)cc1 409214130 VXVQAQMVKRKKNO-ZDLGFXPLSA-N 446.912 3.710 0 40 IHAB CCOc1ccc(N(CC(=O)NCCCOC(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 409260624 SYBKYOWEIIERSN-UHFFFAOYSA-N 448.585 3.520 0 40 IHAB Cc1nc(Nc2ncccc2C)cc([C@H]2CCN(C(=O)/C=C/c3c(C)nn(C)c3C)C2)n1 585292430 MEFUCFVSJKQYFI-SGQUHAKNSA-N 431.544 3.612 0 40 IHAB COCC(=O)N1CCCN(C(C)C)CCN(C(=O)C2[C@H]3CCCC[C@H]23)Cc2ccccc21 643555247 WZGOGLOYEXIXFT-VXKWHMMOSA-N 441.616 3.545 0 40 IHAB COc1ccc(F)cc1-c1ccc(CC2(C(=O)NC[C@@H]3CCN(C)C3)CCOCC2)cc1 2037838596 PQYIWBXQHHIOAS-FQEVSTJZSA-N 440.559 3.909 0 40 IHAB Cc1cc(S(=O)(=O)N2C[C@H]3CCN(Cc4cccnc4)CC[C@H]3C2)c(C)cc1Cl 2056223397 JJRNPAFVCURBHK-BGYRXZFFSA-N 434.005 3.885 0 40 IHAB O=C(O)[C@@H](c1coc2cc(O)cc(O)c2c1=O)C(c1ccc(O)cc1)c1ccc(O)cc1 2332242924 KXKTWQFWNWHKBI-NRFANRHFSA-N 434.400 3.616 0 40 IHAB Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)COc3ccccc3)cc2)CC1 738576 LWTFZVAYUNRFFF-UHFFFAOYSA-N 429.520 3.975 0 40 IHAB COc1ccc(CCN(Cc2cc3ccc(C)cc3n3nnnc23)C(=O)C2CC2)cc1OC 1367346 HKWJDQRBNZNXLH-UHFFFAOYSA-N 445.523 3.584 0 40 IHAB CC(=O)Nc1ccc(OS(=O)(=O)c2cc(Br)ccc2Br)cc1 2072013 OEUWUSFQESSMMI-UHFFFAOYSA-N 449.120 3.938 0 40 IHAB COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CCN1CCN(c2ccc(F)cc2)CC1 2280078 QQZVCPPBTPUAPZ-UHFFFAOYSA-N 438.503 3.553 0 40 IHAB COc1ccc(N(CC(=O)N2CCc3ccccc32)S(=O)(=O)c2ccccc2F)cc1 2635844 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427.416 3.649 0 40 IHAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1Br)N1CCCN1[C@H]2c1ccc(Cl)cc1 19171554 QJCURQTXLXBLPY-BZSNNMDCSA-N 446.732 3.638 0 40 IHAB COc1ccc(CC(=O)NCCn2ncc(-c3ccc(F)cc3)c2-c2nccn2C)cc1C 19571249 GFSNHZPMLRZOAB-UHFFFAOYSA-N 447.514 3.766 0 40 IHAB COc1ccccc1-c1ccc(C[C@]2(C(=O)N(C)C)CCN(C(=O)c3c[nH]nc3C)C2)cc1 19582258 OAIHIRGKLDYQFJ-AREMUKBSSA-N 446.551 3.557 0 40 IHAB Cc1nc(C)n(CCC(=O)N2CCO[C@@H](c3ccc(Cc4ccccc4Cl)cn3)C2)n1 19692411 IINIIBHNGCJCCW-JOCHJYFZSA-N 439.947 3.524 0 40 IHAB CNC(=O)c1[nH]c([C@@H]2CCCN(C(=O)CCc3ccccc3)C2)nc1-c1ccc(OC)cc1 19698837 HBPRAAFCOKSUNI-HXUWFJFHSA-N 446.551 3.784 0 40 IHAB COc1cccc(CCN2C(=O)CCc3c(C)nc(CN(C)Cc4ccc(O)cc4)nc32)c1 19703478 CTAWBQOOYBEXHL-UHFFFAOYSA-N 446.551 3.653 0 40 IHAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2ccc(SC)cc2)cc1 20019610 WTJOUTROMGLJOB-JKSUJKDBSA-N 436.599 3.742 0 40 IHAB O=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CCN(Cc2c(F)cccc2Cl)CC1 23804900 IRDZETWJOVXTBP-LJQANCHMSA-N 432.923 3.995 0 40 IHAB 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224037856 RADJZLHMYUGMJU-UHFFFAOYSA-N 442.493 3.766 0 40 IHAB O=C(NC[C@H]1CCCO1)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1Cl 224066770 DHIGWZSVHNEMKW-CQSZACIVSA-N 429.325 3.703 0 40 IHAB CN(Cc1ccc(C(=O)NCCCN2CCCCCC2)cc1)S(=O)(=O)c1ccccc1 224412549 KYZOQQKQIVMFBR-UHFFFAOYSA-N 443.613 3.503 0 40 IHAB CCC(=O)N1CCc2cc(S(=O)(=O)NCCCc3cccc(OC(C)C)c3)ccc21 225839666 ASKYHCNZMUKTKB-UHFFFAOYSA-N 430.570 3.684 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ccc4sncc4c3)CC2)c1 225924381 YNTIDAFMXDYUDI-UHFFFAOYSA-N 429.567 3.953 0 40 IHAB COc1ccc(NC(=O)[C@]2(C)CCCN(c3c(C)cccc3C)S2(=O)=O)cc1OC 225951561 NKKXAVPJGSKZBV-QFIPXVFZSA-N 432.542 3.648 0 40 IHAB O=C(NCc1cccc2ccccc12)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 226081810 HCHHBCSBDUCLHB-IBGZPJMESA-N 426.513 3.696 0 40 IHAB COc1ccc(C(=O)NC(=S)Nc2cc(C)c(O)c(Br)c2)cc1OC 226244042 ZFCJWHQTSUSRQP-UHFFFAOYSA-N 425.304 3.607 0 40 IHAB Cc1ncsc1C(=O)N1CCO[C@H](c2cc(CCOc3ccc(Cl)cc3)[nH]n2)C1 257278194 OBGBAKDFKGFFCM-SFHVURJKSA-N 432.933 3.663 0 40 IHAB Cc1cc(OC[C@@]2(CC(=O)N3CCOCC3)CCCN(Cc3ccc[nH]3)C2)ccc1Cl 257295647 QZHARVXVKCOANN-XMMPIXPASA-N 445.991 3.887 0 40 IHAB COc1cccc(C(=O)O)c1OCC(=O)N(Cc1ccccc1)Cc1ccc2c(c1)OCO2 257315992 VDQMZXGWCSHZFQ-UHFFFAOYSA-N 449.459 3.730 0 40 IHAB C[C@H]1C[C@H](C)CN(CCCNC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)C1 260561425 DJYNSFDGMLDMIN-PMACEKPBSA-N 443.613 3.610 0 40 IHAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 408583331 HMPNLJMMOAMQLE-LJQANCHMSA-N 438.549 3.591 0 40 IHAB Cc1ccc(NC(=O)COC(=O)CCS(=O)(=O)c2ccc3ccccc3c2)c(C)c1 408646604 QGCRZKQYPLWFQS-UHFFFAOYSA-N 425.506 3.802 0 40 IHAB C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 408647548 JKTAMYDKMVUYEK-YSGRDPCXSA-N 436.895 3.920 0 40 IHAB Cc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(F)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 409062166 OVSWFDDZCNFDSA-NGTVUAHZSA-O 436.894 3.804 0 40 IHAB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1)Nc1ccc(F)c(Cl)c1 409122841 CHXIBGLSQXMECO-LLVKDONJSA-N 425.243 3.667 0 40 IHAB CC[C@H](NC(=O)Nc1ccc(S(=O)(=O)CC)cc1)[C@@H](c1ccc(C)cc1)n1cncn1 533742100 QTXACEMXAZSIED-LEWJYISDSA-N 441.557 3.570 0 40 IHAB O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CC[C@H](c2ccccc2Cl)S(=O)(=O)CC1 575615925 HAUDETYCASSHSX-HXUWFJFHSA-N 447.919 3.871 0 40 IHAB Cc1cccc(Nc2cc(C)nc([C@H]3CCCCN3C(=O)/C=C/c3c(C)nn(C)c3C)n2)n1 585293315 ZNDKBXAUHZAYFG-JNCYCUAHSA-N 445.571 4.349 0 40 IHAB CC(=O)N1CCC[C@]1(Cc1ccccc1-c1ccccc1)C(=O)N(C)Cc1cc(C)[nH]n1 2037834629 WPSAFGRQTDHXER-SANMLTNESA-N 430.552 3.967 0 40 IHAB Cn1cc(-c2cnc(OC3CCN(Cc4ccc(Br)s4)CC3)nc2)cn1 2069628783 ZCTNBIZYJDXMSA-UHFFFAOYSA-N 434.363 3.745 0 40 IHAB Cc1cc(C)nc(SCc2nnc(SCC(=O)N3CCCc4ccccc43)n2C)n1 882997 SJQWIYRFOCYLNA-UHFFFAOYSA-N 440.598 3.586 0 40 IHAB Cc1ccc(Cn2nnc3c(=O)[nH]c(C4CCN(C(=O)CCC5CCCC5)CC4)nc32)cc1 1324604 PDWOLMFKGGZHCT-UHFFFAOYSA-N 448.571 3.548 0 40 IHAB COCCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1ccc(OCCC(C)C)cc1 2487325 MXOVMTYJHATWMI-NRFANRHFSA-N 446.569 3.951 0 40 IHAB O=C(OCn1nnc2ccccc2c1=O)c1oc2ccccc2c1COc1ccccc1 2646622 VVCQKNUHXZHLDK-UHFFFAOYSA-N 427.416 3.931 0 40 IHAB CC[C@H](C)[C@H]1N=C2c3ccccc3N=C(SCC(=O)N3C[C@@H](C)C[C@@H](C)C3)N2C1=O 2964608 HSJZPQWHEUGUNT-KSVNGYGVSA-N 426.586 3.929 0 40 IHAB O=C(Cc1ccccc1)Nn1c(SCC(=O)c2ccc(F)cc2)nc2ccccc2c1=O 2971523 FXBAZUHVVLIOPQ-UHFFFAOYSA-N 447.491 3.823 0 40 IHAB O=C(COC(=O)c1ccccc1Cc1ccccc1)Nc1ccc(N2CCOCC2)cc1 3226080 AAPWGSPWXLGVNZ-UHFFFAOYSA-N 430.504 3.910 0 40 IHAB O=C(CCS(=O)(=O)c1ccc(Cl)cc1)N1CCN(c2cccc(Cl)c2)CC1 3343175 VYWSKOZWPUVJON-UHFFFAOYSA-N 427.353 3.506 0 40 IHAB Cc1c(NC(=O)COC(=O)c2cc(Cl)ccc2Cl)c(=O)n(-c2ccccc2)n1C 3361666 FQTLKUDSBXILQZ-UHFFFAOYSA-N 434.279 3.587 0 40 IHAB C[C@H](OC(=O)c1cc(S(C)(=O)=O)ccc1Cl)C(=O)Nc1ccc(F)cc1Cl 3559189 KOHKKJKOHYHPFI-VIFPVBQESA-N 434.272 3.720 0 40 IHAB COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1cccc(Br)c1 6162697 WIXGAAMBXPMAMO-GOSISDBHSA-N 440.301 3.977 0 40 IHAB COc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OC)cc3OC)NC2=S)cc1 8399594 VOUHXFQUIRBIQZ-DHDCSXOGSA-N 449.326 3.737 0 40 IHAB CCn1c(CSc2nc3ccc(C)cc3[nH]2)nc2cc(S(=O)(=O)N(C)C)ccc21 8569532 ZIKGITZUKDLQON-UHFFFAOYSA-N 429.571 3.784 0 40 IHAB COc1ccc(N2C[C@H](NC(=O)C(c3ccccc3)c3ccccc3)CC2=O)cc1OC 8601688 OXNPIFMYXKUVAJ-HXUWFJFHSA-N 430.504 3.757 0 40 IHAB O=C([C@@H](Sc1nnc(NCc2ccccc2)s1)c1ccccc1)N1CCOCC1 8752723 PWFKTQFVOFURON-SFHVURJKSA-N 426.567 3.842 0 40 IHAB CN1C(=O)[C@@H](C(c2cccs2)[C@H]2C(=O)c3ccccc3N(C)C2=O)C(=O)c2ccccc21 8848676 LQPOTKSFVBZUEB-SFTDATJTSA-N 444.512 3.783 0 40 IHAB COc1ccc(N(CC(=O)Nc2ccccc2F)S(=O)(=O)c2ccc(F)cc2)cc1 8918827 BHCGNFYIQFYRKY-UHFFFAOYSA-N 432.448 3.807 0 40 IHAB O=C(c1ccccc1)N1CCc2ccc(NS(=O)(=O)c3ccc(F)cc3F)cc2C1 8977482 XMNSKXQMYBAVPB-UHFFFAOYSA-N 428.460 3.964 0 40 IHAB COc1ccc(C(=O)C[C@@]2(O)C(=O)N(CCOc3ccccc3)c3ccccc32)cc1OC 8990524 ASDYZCUDUJIBFQ-SANMLTNESA-N 447.487 3.590 0 40 IHAB CCOc1ccc(N[C@@H](C)C(=O)Nc2ccccc2F)cc1S(=O)(=O)N1CCCCC1 9157446 XIHLUVIJXLCEGN-INIZCTEOSA-N 449.548 3.838 0 40 IHAB O=C(CCCOc1ccccc1)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O 9507018 KESUPKSKPMBQMT-CYVLTUHYSA-N 428.485 3.837 0 40 IHAB COc1ccc(CN(C)C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc1F 9576342 RLWWKUNUVSHMDD-UHFFFAOYSA-N 440.924 3.544 0 40 IHAB CCCCn1nc(C(=O)NCc2cc(Cl)c3c(c2)OCCCO3)c2ccccc2c1=O 9608853 XJVPCTOSQPTNEZ-UHFFFAOYSA-N 441.915 3.941 0 40 IHAB CC(=O)c1ccc(S(=O)(=O)N(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1 9671283 CXDBTONGENKVDH-UHFFFAOYSA-N 433.482 3.613 0 40 IHAB COc1ccc(C(=O)Oc2coc(CSc3nc(C)cc(C)n3)cc2=O)c(OC)c1 9829215 MVLOBDNNFFRGJD-UHFFFAOYSA-N 428.466 3.575 0 40 IHAB CCOc1ccccc1CCCNC(=O)[C@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O 10111030 AXXQYJBPFCHTLZ-IBGZPJMESA-N 432.586 3.606 0 40 IHAB CCOc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccc(CC(=O)O)cc3)c2C)cc1 10315739 UQNZCZYFHUIHBX-WGOQTCKBSA-N 433.508 3.813 0 40 IHAB COc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2cc(Cl)c(OC)cc2OC)cc1 11603830 NCZUHGCVHXJPBF-UHFFFAOYSA-N 434.905 3.926 0 40 IHAB Cc1nnc(SCC(=O)Nc2sc3c(c2C(=O)NCc2ccccc2)CCCC3)[nH]1 11701859 PFTLIYVEHVBOAN-UHFFFAOYSA-N 441.582 3.714 0 40 IHAB CCOc1cc(Nc2ccc(NS(=O)(=O)c3cc(OC)ccc3OC)cc2)nc(C)n1 12226318 PXVRSCKUALEICC-UHFFFAOYSA-N 444.513 3.745 0 40 IHAB CC(C)[C@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)NCc1cccnc1 12321412 UJMXHUCMJHPISU-FQEVSTJZSA-N 433.537 3.553 0 40 IHAB COc1cc(C(=O)N2CCC[C@@H]([C@@H]3CC(=O)c4ccccc4O3)C2)cc(OC)c1OC 12327697 PHKVCCDZDCESJZ-QRWLVFNGSA-N 425.481 3.599 0 40 IHAB CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(NC(=O)C2CC2)cc1 12584605 RGJLBXZDJUOFKD-UHFFFAOYSA-N 439.331 3.997 0 40 IHAB COC(=O)[C@H](c1ccccc1Cl)N1CCN(C(=O)c2cc(Cl)ccc2OC)CC1 12738039 XFDHQRVEDFMPGR-IBGZPJMESA-N 437.323 3.674 0 40 IHAB Cc1cc(Br)c(NC(=O)COc2nnc3ccccn23)c(Br)c1 12766777 CSMRYOMEIFFAEU-UHFFFAOYSA-N 440.095 3.580 0 40 IHAB O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(OC(F)(F)F)cc1 12813189 KXUVIJXJIHATDQ-UHFFFAOYSA-N 442.459 3.690 0 40 IHAB O=C(Nc1ccccc1Cl)[C@H]1[C@@H]2C(=O)N(CCc3c[nH]c4ccccc34)C[C@]23C=C[C@H]1O3 12891558 JKCDUQKQKPKOSA-NMOFPLQQSA-N 447.922 3.785 0 40 IHAB O=S(=O)(NCCc1cccs1)c1cc(Br)ccc1Br 12892358 LLYRFCXGDQGJBD-UHFFFAOYSA-N 425.167 3.794 0 40 IHAB COc1cc(NC(=O)Cc2c(C)c3ccc(OC)c(C)c3oc2=O)cc(OC)c1OC 12895651 UWOXNMKBLZDLBP-UHFFFAOYSA-N 427.453 3.625 0 40 IHAB biogenic CCOc1ccc(NC(=O)/C=C/c2ccc(N3CCCS3(=O)=O)cc2)cc1OCC 13005479 GHRAJZSVCDMQNV-MDWZMJQESA-N 430.526 3.676 0 40 IHAB C[C@@H](NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1ccc2c(c1)OCCO2 13113162 MUYNGZIWWODIKB-QGZVFWFLSA-N 441.487 3.707 0 40 IHAB COc1ccc(C2=NN(C(=O)CSc3nnc4ccccn34)[C@H](c3ccco3)C2)cc1 13164869 VDWNZCWJSUSNFS-SFHVURJKSA-N 433.493 3.801 0 40 IHAB Fc1ccccc1[C@@H](c1nnnn1CCc1ccccc1)N1CCN(c2ccccc2)CC1 13505526 VYWJFHPLDCJLBQ-VWLOTQADSA-N 442.542 3.967 0 40 IHAB COc1cccc(CN(C)C(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)c1OC 15463653 NULVEMJBDUDRIU-QGZVFWFLSA-N 446.569 3.539 0 40 IHAB Cc1cccn2c(=O)cc(COc3ccccc3NC(=O)Nc3ccc4c(c3)OCO4)nc12 15865419 KFQUTJPTJZDZCC-UHFFFAOYSA-N 444.447 3.955 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)c1cccc(I)c1 15999569 LXMQXRUFVJFJMK-UHFFFAOYSA-N 437.205 3.540 0 40 IHAB CCCCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1[C@@H](CC)N(C)C 16045333 IQWHMVDGLHKHEY-HXUWFJFHSA-N 444.649 3.532 0 40 IHAB COc1ccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c(OC)c1 16740065 MNDAGLLWLLYKNA-HSZRJFAPSA-N 444.491 3.665 0 40 IHAB COc1cc([C@H]2OC[C@@H]3[C@@H](c4ccc(OC(C)=O)c(OC)c4)OC[C@@H]23)ccc1OC(C)=O 17299263 KABPASQHFAUTDF-GRJZNYKUSA-N 442.464 3.630 0 40 IHAB CC(C)(C)c1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@H]1CCCN(C(=O)COc3cccnc3)C1)N2 19084055 APNIBJXZOFQTGU-RYQLBKOJSA-N 447.530 3.884 0 40 IHAB Cc1ccc2[nH]cc(CCNC(=O)c3cc([C@H]4CCCN(C(=O)C5CCC5)C4)no3)c2c1 19220588 JDHONXBFOJVVGX-IBGZPJMESA-N 434.540 3.943 0 40 IHAB Cc1noc(C)c1CC(=O)N1CCC(c2nc(N(C)C)ncc2-c2ccc(F)cc2)CC1 19695269 XQCOXLQYDBVHMB-UHFFFAOYSA-N 437.519 3.902 0 40 IHAB CCn1cc(CN2CCC[C@H]2c2nc(C)c3c(n2)N(Cc2ccccc2)C(=O)CC3)cn1 19741747 MDTVKQLEURHWNH-QFIPXVFZSA-N 430.556 3.818 0 40 IHAB Cc1cc(C)n(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccccc3F)CC2)n1 19746568 RIHJIYMLAGHTDC-QHCPKHFHSA-N 440.563 3.501 0 40 IHAB Cc1ccc(C)c([C@@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)c1 19933458 HLDIHMOUDWNKMO-GOSISDBHSA-N 432.561 3.862 0 40 IHAB C[C@@H](NC(=O)c1cnc2sc3c(n2c1=O)CCCC3)c1ccc(Br)cc1 20030116 KQYFWONFFSADOM-LLVKDONJSA-N 432.343 3.888 0 40 IHAB CC1CCN(CC(=O)N2CCN(c3nnc(-c4ccccc4)c4ccccc34)CC2)CC1 20461096 CICVCMPVSITZFD-UHFFFAOYSA-N 429.568 3.677 0 40 IHAB CCOC(=O)C1=C(CN2CCC(Cc3ccccc3)CC2)NC(=O)N[C@@H]1c1cccs1 20559095 HXIQUBYDRKFUJW-JOCHJYFZSA-N 439.581 3.874 0 40 IHAB COc1ccc2cc(CN(C)C(=O)CN3CCN(c4ccc(C(C)=O)cc4)CC3)ccc2c1 21579979 LQAHOPIQLUTGLB-UHFFFAOYSA-N 445.563 3.832 0 40 IHAB Cc1ccccc1CNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1 22385314 DABUKYRKKDROLB-UHFFFAOYSA-N 430.476 3.785 0 40 IHAB CCOC(=O)c1ccc(C)c(NC(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)c1 22395819 XEFLABFGUMEKLY-UHFFFAOYSA-N 432.542 3.700 0 40 IHAB Cc1cccc(CSCCNC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)c1 22513808 JWFHQSCVZKSIEP-UHFFFAOYSA-N 432.611 3.584 0 40 IHAB CCN1CCC(NC(=O)c2nn(-c3ccccc3)cc2-c2ccc(OC)c(OC)c2)CC1 23463698 HGUGNIDGOGZUBS-UHFFFAOYSA-N 434.540 3.771 0 40 IHAB O=C(NCCSC1CCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 25248946 DPLGMKIEMJFBIT-OAHLLOKOSA-N 431.023 3.533 0 40 IHAB Cc1ccc2c(c1)C(=O)N(CCCC(=O)OCc1nc3ccccc3n1C(F)F)C2=O 25619502 LVKHCJYXQVOQLW-UHFFFAOYSA-N 427.407 3.859 0 40 IHAB CSc1cccc(N2C[C@H](C(=O)NCc3ccc(NC(=O)C(C)C)cc3)CC2=O)c1 32899065 ABWUZMVJYSZTQV-QGZVFWFLSA-N 425.554 3.672 0 40 IHAB Cc1ccc(NC(=O)c2nnc(COC(=O)CCC(=O)c3ccc(F)cc3)s2)cc1 32903338 LUMUKHWXXJNXHY-UHFFFAOYSA-N 427.457 3.944 0 40 IHAB Cc1cccn2c(=O)cc(COc3ccccc3NC(=O)COc3ccc(F)cc3)nc12 33067847 XCTFHFPETPOCCC-UHFFFAOYSA-N 433.439 3.739 0 40 IHAB CC(C)C(=O)Nc1ccc2c([C@H](C(=O)O)N3CCN(c4ccc(F)cc4)CC3)c[nH]c2c1 36366868 PKTSCPWLWWPWAL-JOCHJYFZSA-N 438.503 3.849 0 40 IHAB COc1ccc(-c2nnc([C@H]3CCCN(S(=O)(=O)c4ccc(OC)cc4)C3)s2)cc1 36705251 RBRLHGKHQCFUGI-INIZCTEOSA-N 445.566 3.791 0 40 IHAB Cc1ccc(C(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)cc1S(C)(=O)=O 48272256 XNFOIUIINGVEEJ-UHFFFAOYSA-N 439.489 3.959 0 40 IHAB O=C(CC1CCCCC1)NC1CCN(C(=O)c2cn(-c3cccc(Cl)c3)nn2)CC1 49406144 BBLARXIUYVLIDB-UHFFFAOYSA-N 429.952 3.612 0 40 IHAB CCOc1ccccc1[C@H]1NC(=O)NC(CN2CC=C(c3ccccc3)CC2)=C1C(=O)OC 57415699 XQTSTYMBKOIACG-XMMPIXPASA-N 447.535 3.656 0 40 IHAB CCn1c(SCC(=O)Nc2ccc(C)cc2Br)nc2cc(C)[nH]c2c1=O 57522075 LLITUOWFTBXKTC-UHFFFAOYSA-N 435.347 3.855 0 40 IHAB Cc1ccc(NCC(=O)N(C2CCCCC2)[C@H]2CCS(=O)(=O)C2)c(Br)c1 57810235 VWHOROACDHATMS-INIZCTEOSA-N 443.407 3.518 0 40 IHAB COc1ccc(N(C)C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)cn1 58159797 DQFZPKGHRQZBTO-UHFFFAOYSA-N 437.949 3.585 0 40 IHAB CCCc1cc(C(=O)N2CCN(CCC)C(=O)[C@@H]2Cc2ccccc2-c2ccncc2)no1 72351523 CPVKCMBHKNGAGN-DEOSSOPVSA-N 446.551 3.995 0 40 IHAB NC(=O)c1cccc(-c2nccnc2[C@H]2CCCN(C(=O)CCCc3ccccc3)C2)c1 72359169 ZWBGROLXVPYLQR-QFIPXVFZSA-N 428.536 3.971 0 40 IHAB CN(C)C(=O)[C@]1(Cc2ccc(-c3ccc(F)cc3)cc2)CN(C(=O)C(C)(C)C)CCO1 72389328 ODHSZKVLDSSSOP-VWLOTQADSA-N 426.532 3.767 0 40 IHAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccn(Cc4cccnc4)n3)c2)cc1 78720203 YSXFKKKLQFUBIQ-UHFFFAOYSA-N 447.520 3.688 0 40 IHAB 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COc1cccc(C(=O)CN(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)CCCC2=O)c1 408641560 CRYSDCOVLWKUSI-UHFFFAOYSA-N 449.290 3.781 0 40 IHAB C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3cccs3)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]12 408642162 DQLJYJPKHXOSNZ-NRXGSXMXSA-N 442.924 3.839 0 40 IHAB COc1cccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)c1 408654767 KMTNIJHNYNOFMG-UHFFFAOYSA-N 425.268 3.903 0 40 IHAB CCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccccc2CC)cc1 408663936 PTPVESWEBKBMFQ-UHFFFAOYSA-N 440.496 3.716 0 40 IHAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(Cl)c(OCC(=O)O)c(OC)c3)S2)cc1 408777981 NMEDLRJZKONEOE-OIOSCTRGSA-N 448.928 3.974 0 40 IHAB CCCCn1c(=O)nc(O)c2c1nc(-c1ccc(OCC(F)(F)F)c(OCC)c1)n2C 507805521 AJIZMQWHRFJTSZ-UHFFFAOYSA-N 440.422 3.643 0 40 IHAB O=C(CCCc1ccc2nc(O)[nH]c2c1)N1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 539874165 LLZAGIRFNNQTKG-VQIMIIECSA-N 433.430 3.945 0 40 IHAB C[C@@H]1Oc2ccc(C(=O)C3CCN(C(=O)N[C@H]4c5ccccc5O[C@@H]4C)CC3)cc2NC1=O 575088558 LKSPREJTJLDAIJ-ZCCHDVMBSA-N 449.507 3.533 0 40 IHAB Cc1ccc(C(=O)N2CCCCC3(CO)CCN(CC3)Cc3ccccc3OCC2)cn1 643579087 SSJVRXXCZRCWGV-UHFFFAOYSA-N 437.584 3.670 0 40 IHAB Cc1nc(CN2CCC[C@]3(CCCN(S(=O)(=O)c4sccc4C)C3)C2)cs1 2056224611 ZGKTUHHHXNTXFC-IBGZPJMESA-N 425.645 3.888 0 40 IHAB CCOc1ccc(-n2c(SCC(=O)NCc3ccco3)nc3ccccc3c2=O)cc1 778510 XHGNKAUDCTXPRU-UHFFFAOYSA-N 435.505 3.786 0 40 IHAB COc1ccccc1NC(=O)CSc1nnc2c(n1)[nH]c1c(OC)ccc(Cl)c12 862177 DIACZXUQCXQLQC-UHFFFAOYSA-N 429.889 3.908 0 40 IHAB CCc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccccc3C(F)(F)F)CC2=O)cc1 1290018 WSLSHXCFGXASOD-OAHLLOKOSA-N 434.414 3.803 0 40 IHAB CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN(C)C)cc1OC 2428837 PDISTKGNIJDHEZ-QFIPXVFZSA-N 436.508 3.697 0 40 IHAB Cn1cccc1C(=O)NC(=O)COC(=O)CCN1c2ccccc2Sc2ccccc21 3369666 BZSQQNKWUXSINE-UHFFFAOYSA-N 435.505 3.518 0 40 IHAB CCSc1nnc2c(n1)O[C@H](c1ccc(C(=O)OC)cc1)N(C(C)=O)c1ccccc1-2 3640769 LTSDSKVSBWCODT-HXUWFJFHSA-N 436.493 3.881 0 40 IHAB CCOC(=O)CN(C(=O)CSc1nnc(-c2cccc(C)c2)o1)c1ccc(F)cc1 6546379 SWWFQIUHAVYOSA-UHFFFAOYSA-N 429.473 3.873 0 40 IHAB COc1ccc(NC(=O)CSc2nnc(NC(=O)Nc3ccc(OC)cc3)s2)cc1 8601672 ROFGKUHLAPWIOW-UHFFFAOYSA-N 445.526 3.930 0 40 IHAB C[C@@H](Sc1nncn1CCc1cccs1)C(=O)Nc1ccc(N2CCOCC2)cc1 8720349 CBWURARXJGMRJF-MRXNPFEDSA-N 443.598 3.538 0 40 IHAB Cc1ccc(-c2csc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccccc3F)n2)o1 8880711 GFLPDUJFORMODG-HNNXBMFYSA-N 435.502 3.642 0 40 IHAB O=C(CNc1ccccc1C(=O)NC[C@@H]1CCCO1)NC(c1ccccc1)c1ccccc1 9207048 SUXPBSBVKAAMCN-QFIPXVFZSA-N 443.547 3.913 0 40 IHAB O=C(Cc1csc(-c2ccccc2)n1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 9641298 SPWBXQBCUQJVRZ-UHFFFAOYSA-N 427.551 3.776 0 40 IHAB COCCn1c(SCC(=O)Nc2sc3c(c2C(=O)OC)CCC3)nc2ccccc21 9715560 CWHFIJXIKQJTJD-UHFFFAOYSA-N 445.566 3.750 0 40 IHAB CNC(=O)NC(=O)[C@@H](Sc1nnc(-c2ccccc2F)n1C1CC1)c1ccccc1 9729292 ACEIYHKEFXXJJU-KRWDZBQOSA-N 425.489 3.708 0 40 IHAB COc1ccc(Cc2nnc(SCC(=O)Nc3cccc(OC)c3)n2-n2cccc2)cc1 9737935 FUNQAOJATXNKCF-UHFFFAOYSA-N 449.536 3.730 0 40 IHAB Cc1occc1-c1nnc(S[C@H](C)c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)n1N 9959718 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IHAB COc1ccccc1NC(=O)c1cnc([C@H]2CCCCN2C(=O)c2ccccn2)nc1C 19755685 XXQXYUJQQFFDCV-HXUWFJFHSA-N 431.496 3.808 0 40 IHAB CC(C)(C)SCCNC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 19860299 QDWJOOLEZZLJFM-MRXNPFEDSA-N 433.039 3.530 0 40 IHAB COc1ccc([C@@H](C)NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccccc2)cc1 20010237 HBLBDBBRYKYTKH-GOSISDBHSA-N 430.570 3.896 0 40 IHAB O=C(NCc1ccc(F)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 20017018 HCHYJUKSINRAFC-HXUWFJFHSA-N 426.513 3.696 0 40 IHAB Cc1ccc([C@H](c2nnnn2C[C@H]2CCCO2)N2CCN(c3cccc(C)c3C)CC2)cc1 20140665 DADKYQVHBKPSMQ-ILBGXUMGSA-N 446.599 3.689 0 40 IHAB COc1ccc(CSCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 20237861 VTKUWWJQDVWQGI-UHFFFAOYSA-N 434.583 3.742 0 40 IHAB CN(Cc1ccc(/C=C/C(=O)Nc2ccc(OCc3ccccc3)cc2)o1)S(C)(=O)=O 20449972 NXNHEKMXAYADMO-CCEZHUSRSA-N 440.521 3.902 0 40 IHAB COc1ccccc1CNC(=O)CCNC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1 20738979 HHRHLKFYGCHJGF-UHFFFAOYSA-N 440.931 3.604 0 40 IHAB CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)C1 23246936 ACMDDYQGTZVQGX-DYVFJYSZSA-N 429.344 3.550 0 40 IHAB Cc1nc(-c2ccc(CCNC(=O)CN3C(=O)COc4ccc(Cl)cc43)s2)cs1 23447146 RSMADPKILMSCSY-UHFFFAOYSA-N 447.969 3.918 0 40 IHAB COc1ccc(S(=O)(=O)N(Cc2cccs2)C[C@@H]2CCCO2)cc1Br 24106249 RKYIDIJLHHCHEV-ZDUSSCGKSA-N 446.388 3.889 0 40 IHAB C[C@@H](C(=O)Nc1ccc(NC(=O)/C=C/c2cccc(Br)c2)cc1)n1cncn1 24584474 PWUYFBQIJIUVGD-SEIPJRMCSA-N 440.301 3.892 0 40 IHAB O=C(c1ccc2c3c(cccc13)CC2)N1CCC(NS(=O)(=O)c2cccs2)CC1 25906349 DOQFLFIHUILKJD-UHFFFAOYSA-N 426.563 3.583 0 40 IHAB COc1ccc([C@@H](CC(=O)NCCCN(C)C)c2cc(Br)ccc2O)cc1 27578272 NNHTVLVODSQIHU-GOSISDBHSA-N 435.362 3.753 0 40 IHAB COc1ccc(C)cc1C(=O)Nc1c(C(=O)N2CCOCC2)sc2nc(C)cc(C)c12 29187960 SVLUQBZOIBDMGT-UHFFFAOYSA-N 439.537 3.955 0 40 IHAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)CN[C@H](c1ccc(F)cc1)c1cccs1 29936323 DDCKZQFBOYJVLU-JOCHJYFZSA-N 429.492 3.802 0 40 IHAB CC(=O)Nc1cccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1 31082032 DDNKGTIPXMHPBH-UHFFFAOYSA-N 441.484 3.618 0 40 IHAB C[C@H]1Cc2cc(C(=O)N3CCC[C@H]3c3nc4ccccc4s3)ccc2N1S(C)(=O)=O 31390625 SUIUKDOCRYHHKO-LIRRHRJNSA-N 441.578 3.984 0 40 IHAB O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)c1ccc(S(=O)(=O)NC2CC2)o1 31587280 UBULFVJXHWKICQ-UHFFFAOYSA-N 430.457 3.582 0 40 IHAB CCOC(=O)N1CCC(C(=O)Nc2ccccc2C(=O)Nc2cccc(OC)c2)CC1 32995960 ILAPCBJVEPPZEV-UHFFFAOYSA-N 425.485 3.755 0 40 IHAB O=C(COc1ccccc1)Nc1cccc(OCc2cc(=O)n3cc(Cl)ccc3n2)c1 33268649 CZOVMLJSLBGOAY-UHFFFAOYSA-N 435.867 3.944 0 40 IHAB COc1cccc(OCc2nnc(SCC(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)n2N)c1 36385454 LVBDFRAGZDWISB-AYOQOUSVSA-N 448.589 3.676 0 40 IHAB CC[C@@H](CCNS(=O)(=O)c1ccc(NC(=O)OC)cc1)n1nc(C(F)(F)F)cc1C 36614994 PKDBISVMIFZCEE-AWEZNQCLSA-N 448.467 3.708 0 40 IHAB CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2ccc(C)cc2Br)c1=O 44840881 TYSAMIRTOJVJBF-CQSZACIVSA-N 444.329 3.844 0 40 IHAB NC(=O)c1cn(CC(=O)N[C@H](Cc2ccccc2)c2nc3ccccc3[nH]2)c2ccccc12 48333981 DEHRMBQXEKNHLJ-JOCHJYFZSA-N 437.503 3.717 0 40 IHAB COC(=O)[C@H](C)CN(Cc1ccccc1)Cc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1 60333802 MTJLASQBYAEKPP-MRXNPFEDSA-N 446.548 3.641 0 40 IHAB COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)Nc3ccccc3C)Oc3ccccc32)cc1 64986226 GDMRKYUHYABUQW-QFIPXVFZSA-N 438.505 3.599 0 40 IHAB O=C(/C=C/c1ccc(I)o1)N1CCCN(Cc2cccs2)CC1 84442225 LKVMNMHKAZVNGY-FNORWQNLSA-N 442.322 3.693 0 40 IHAB COC(=O)C[C@H](c1cccnc1)c1oc(CSc2ccccc2OC)cc(=O)c1O 85875282 TUIXUCMTNRXEGM-MRXNPFEDSA-N 427.478 3.736 0 40 IHAB biogenic CN(C)CCNC(=O)C[C@@H]1CC2(CCN(C(=O)c3cccc(F)c3)CC2)c2ccccc21 96052887 WFMUJKDFZOVHFM-HXUWFJFHSA-N 437.559 3.555 0 40 IHAB COC(=O)C[C@H](c1ccc(OCCc2ccccc2)c(OC)c1)c1oc(C)cc(=O)c1O 96115169 MEKDSOQZHJJKCH-LJQANCHMSA-N 438.476 3.979 0 40 IHAB biogenic CCc1ccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)C(=O)c2ccccc2)cc1 100396424 NSUNHNZFLSVMNS-SJUWYAIISA-N 426.516 3.906 0 40 IHAB CC1=C(C(=O)O[C@@H]2CCC[C@@H]2C)[C@H](c2cc3c(cc2Br)OCO3)NC(=O)N1 101106468 PXOBGQLVURFQNO-VSQKUCPKSA-N 437.290 3.538 0 40 IHAB COc1ccc(-n2nc3c4cc(C(=O)NCCc5ccccc5)ccc4[nH]cc-3c2=O)cc1 101281801 GGLVWWUEUPAEBL-UHFFFAOYSA-N 438.487 3.800 0 40 IHAB biogenic CC[C@@H](NC(=O)[C@@H](CC)N(c1ccccc1)S(C)(=O)=O)c1ccc(OC)c(OC)c1 219088323 ZWLKQVJYGUDOGW-RTBURBONSA-N 434.558 3.516 0 40 IHAB CC[C@H](Oc1ccccc1C)C(=O)N(C)Cc1nc(-c2ccc(OC)cc2OC)no1 219316063 ASDXXYYZKJGAPQ-SFHVURJKSA-N 425.485 3.878 0 40 IHAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 219979339 CFZNIEIUVQRJMG-HXUWFJFHSA-N 444.553 3.512 0 40 IHAB CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)N(C)c2ccccc2)CC1 222583962 AHVVNUWVNCSEGA-UHFFFAOYSA-N 436.961 3.802 0 40 IHAB COC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)NC2CCCCC2)ccc1C 223799554 FNTMOEHSKQRLLK-UHFFFAOYSA-N 430.526 3.645 0 40 IHAB Cc1ccc(OCCNC(=O)CCCN(c2ccc(C)c(C)c2)S(C)(=O)=O)c(C)c1 224054648 TUYYEGOFARPHCV-UHFFFAOYSA-N 432.586 3.662 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3cccnc3)c(Cl)c2)cc1 224240894 IDVOYOXCARSEGT-UHFFFAOYSA-N 429.929 3.799 0 40 IHAB CCN(CCCNC(=O)c1ccc(C)c(N2CCCCS2(=O)=O)c1)c1ccc(C)cc1 224400515 JCLMXHDVOAUTTF-UHFFFAOYSA-N 443.613 3.880 0 40 IHAB COC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(SC)cc1 224975294 RGIDBRYYOHDDMI-UHFFFAOYSA-N 430.345 3.539 0 40 IHAB CSc1nnc(NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)s1 225253654 BZZXUUODEWAGRP-UHFFFAOYSA-N 440.959 3.967 0 40 IHAB COc1ccc(-c2noc([C@H](C)O)c2C(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1 253397806 FZOMFRNTXDRONS-AWEZNQCLSA-N 438.480 3.619 0 40 IHAB biogenic,in-vitro Cc1cccc(C(=O)N2CC[C@H](c3cc4nc(C)c(CCC(=O)NC(C)C)c(C)n4n3)C2)c1 257223607 DYCJAOQJCQMIJM-NRFANRHFSA-N 447.583 3.741 0 40 IHAB Cc1ccc(=O)n(CC(=O)N2CCCC[C@H]2c2ncc(Cc3cccc(Cl)c3)o2)n1 257271510 MYQAHDXZJOIXAK-IBGZPJMESA-N 426.904 3.538 0 40 IHAB O=C(NCCn1cc(-c2nc(-c3cccs3)no2)nn1)c1cc2cc(Cl)ccc2[nH]1 390829548 ZSBXUJTWZYCCOG-UHFFFAOYSA-N 439.888 3.621 0 40 IHAB O=C(CNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1)Nc1ccc(Cl)c(Cl)c1 408552778 NSDUYSOOKMZTGS-UHFFFAOYSA-N 435.094 3.994 0 40 IHAB C[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 408598290 YUFPKCVDTGHJCL-YKSBVNFPSA-N 436.577 3.714 0 40 IHAB C[C@H](Oc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1)C(=O)NC1CCCCC1 408611858 RWJWKAVKRMMAHC-AWEZNQCLSA-N 438.496 3.982 0 40 IHAB Cn1c(=O)n(C)c2cc(/C=C(\Sc3nnc(-c4ccc(Cl)cc4)o3)C(=O)O)ccc21 408631708 AWAXECIPGNSRLL-YBEGLDIGSA-N 442.884 3.798 0 40 IHAB Cc1cccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)c1C 409140964 FXVIBKTZOIXXAB-OAHLLOKOSA-N 434.414 3.857 0 40 IHAB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(SC)c3)C2=O)ccc1O 409152931 GMLSTLIAKKDNKK-RQZCQDPDSA-N 430.507 3.798 0 40 IHAB Cc1ccc(CSCCNC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 409409100 NAZHIXFPIXSMFH-MRXNPFEDSA-N 441.018 3.853 0 40 IHAB Cn1c([C@@H](NC(=O)C[C@@H]2Oc3ccccc3NC2=O)c2ccccc2)nc2ccccc21 503156357 RNBHJAKSGHUEFB-GMAHTHKFSA-N 426.476 3.569 0 40 IHAB COC(=O)c1ccc([C@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)cn1 687753749 YXQMXYRYRRZDRT-QFIPXVFZSA-N 446.459 3.923 0 40 IHAB COc1ccc(CN2CC3(CCC2=O)CCN(C(=O)c2nc4ccccn4c2C)CC3)cc1 2055795930 VAWWTARCPBLUDY-UHFFFAOYSA-N 446.551 3.696 0 40 IHAB CCOc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(C(=O)O)(c4ccccc43)[C@@H]2C1=O 849898 ANZGRBZHUYMSGD-YKUCYRFJSA-N 439.467 3.721 0 40 IHAB CCS(=O)(=O)N1CCN(c2nc(C)nc3sc4c(c23)CC[C@H](C(C)(C)C)C4)CC1 1377156 ICVPHRQMQOZRIP-HNNXBMFYSA-N 436.647 3.622 0 40 IHAB Cc1ccc(S(=O)(=O)N(C[C@@H](O)Cn2cnc3ccccc32)c2cccc(C)c2)cc1 6171147 XLSAQBMGLZOCEM-NRFANRHFSA-N 435.549 3.910 0 40 IHAB CC[C@@H](C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 6631930 VZDBJVDHCDKYGO-OAHLLOKOSA-N 439.375 3.555 0 40 IHAB C[C@@H](C(=O)c1ccc2c(c1)N(C)C(=O)CO2)n1cnc2scc(-c3ccccc3)c2c1=O 8717923 ACQVJRSUXZPLNC-AWEZNQCLSA-N 445.500 3.924 0 40 IHAB COc1cc(NC(=O)[C@H]2CCCN(C(=O)c3cc4ccccc4[nH]3)C2)cc(OC)c1OC 9048558 TZJTWQLHIZLKRB-INIZCTEOSA-N 437.496 3.685 0 40 IHAB CCc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2cccc(Cl)c2C)cc1 9308455 HINQOOKMZMLIET-UHFFFAOYSA-N 447.926 3.867 0 40 IHAB Cc1cc(Br)ccc1NC(=O)CNC(=O)CCc1nc(-c2ccsc2)no1 9313798 NSUJXYPFWKAAGA-UHFFFAOYSA-N 449.330 3.557 0 40 IHAB CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1 9461594 QVAIWXFDCBGFOS-NRFANRHFSA-N 437.521 3.861 0 40 IHAB Cc1cc(Cl)ccc1OCC(=O)N(Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 9463669 KFLLBWZVXWIUGB-GOSISDBHSA-N 442.364 3.897 0 40 IHAB COc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C 9491930 XCVPKRQXYYXWPH-WMLDXEAASA-N 446.525 3.533 0 40 IHAB Cc1ccc(-c2nc3scc(CCNC(=O)C(=O)Nc4ccc(Cl)cc4)n3n2)cc1 9568964 WRWVWFWUIHECKR-UHFFFAOYSA-N 439.928 3.717 0 40 IHAB Cc1cc(C)cc(NC(=O)COC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c1 9587800 BNPNORZGEQLUKL-UHFFFAOYSA-N 444.553 3.582 0 40 IHAB COc1ccc(NC(=O)c2ccc(COC(=O)c3ccc4c(c3)OCC(=O)N4)cc2)cc1 11060730 ANBMCOLHBUSQLH-UHFFFAOYSA-N 432.432 3.635 0 40 IHAB CC1(C)Cc2nc(-c3cnccn3)ncc2[C@@H](NC(=O)c2cccc(N3CCCC3=O)c2)C1 12239142 ASLZSNODCUVYIF-FQEVSTJZSA-N 442.523 3.504 0 40 IHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2F)cc1 12525944 BOGNLQJYJUZEOS-UHFFFAOYSA-N 434.514 3.842 0 40 IHAB O=C(CNS(=O)(=O)c1ccc2c(c1)CCCC2)Nc1ccc(N2CCCCCC2)cc1 12568145 TZKVJEVXPLFMKJ-UHFFFAOYSA-N 441.597 3.863 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1N[C@H](C)C(=O)NC1CCCCC1 12766050 UJOCZYNKRCGTHJ-QGZVFWFLSA-N 437.606 3.509 0 40 IHAB Cc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@@H]2CCS(=O)(=O)C2)c(F)c1 12781342 NHAXAYNQYMXLLP-OAHLLOKOSA-N 442.516 3.677 0 40 IHAB COc1ccc(-c2nc(NC(=O)CCN3C(=O)NC4(CCCCC4)C3=O)sc2C)cc1 12853533 DDIFSHZBTWULFD-UHFFFAOYSA-N 442.541 3.710 0 40 IHAB O=C(NCc1ccccc1)[C@H](c1cccnc1)N(Cc1ccccc1)C(=O)c1csnn1 12871723 BZKLTVWAWNLFFQ-QFIPXVFZSA-N 443.532 3.633 0 40 IHAB Cc1cccc2c(=O)n(CCC(=O)N(Cc3ccc4c(c3)OCO4)C3CCCC3)cnc12 12921360 BJSXULHTONIWGM-UHFFFAOYSA-N 433.508 3.795 0 40 IHAB COc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2 13074679 ZCKPFXHFGCDUOX-HDDXYUSQSA-N 448.947 3.551 0 40 IHAB COc1ccc(Cn2nnnc2[C@@H](c2ccc(OC)cc2)N2CCc3ccccc3C2)cc1 13496231 MXCJLYIYHXZILR-RUZDIDTESA-N 441.535 3.886 0 40 IHAB CCN(c1ccc(OCC(=O)N2CCCCCC2)cc1)S(=O)(=O)c1ccc(C)cc1 13585382 UFQYBBWQPFSCHU-UHFFFAOYSA-N 430.570 3.992 0 40 IHAB O=C(Cn1cnc2c(sc3nc(-c4ccco4)c4c(c32)CCC4)c1=O)N1CCCCC1 13686528 PVKKWSWAHUWRIM-UHFFFAOYSA-N 434.521 3.767 0 40 IHAB C[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OCc1nc2ccccc2o1 13987386 MDVODDNJUHFJKG-JTQLQIEISA-N 429.281 3.545 0 40 IHAB C[C@@H](NC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O)c1ccc2c(c1)OCO2 14094571 SDFLPNUNNSYYPB-CQSZACIVSA-N 433.489 3.731 0 40 IHAB O=C(Cc1ccc2c(c1)OCCO2)Nc1cccc(S(=O)(=O)Nc2ccccc2F)c1 15702692 FFJSFHNIHHQVMW-UHFFFAOYSA-N 442.468 3.579 0 40 IHAB O=C(NCc1ccccc1)[C@@H](c1ccccn1)N(C(=O)c1csnn1)c1ccccc1F 15936184 XDKKZSKIZWRPOG-OAQYLSRUSA-N 447.495 3.777 0 40 IHAB CCc1cc2c3c(c(=O)oc2cc1OCC(=O)N1CC[C@]2(O)CCCC[C@H]2C1)CCCC3 15955278 DMIBOEQGDVBRAP-HFJWLAOPSA-N 439.552 3.767 0 40 IHAB biogenic COc1ccccc1-c1cc2c(=O)n(Cc3nc(-c4ccc(SC)cc4)no3)ccn2n1 16842027 SWKHURAMJGDACA-UHFFFAOYSA-N 445.504 3.992 0 40 IHAB O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1cccs1)N2)N1CCN2CCC[C@@H]2C1 17094416 VLXJAOYICCCTEV-XJKCOSOUSA-N 425.480 3.525 0 40 IHAB CC(C)(C)C(=O)N1CCC[C@H](c2cc(=O)[nH]c(C3CCN(Cc4ccsc4)CC3)n2)C1 19081221 BWSMLZPONQKOOP-IBGZPJMESA-N 442.629 3.963 0 40 IHAB O[C@H](CN1CCC2(CC1)C[C@@H](O)c1cc(Cl)ccc1O2)c1ccc2c(c1)OCCCO2 19345572 LVSJIPRAZOCYOB-WOJBJXKFSA-N 445.943 3.885 0 40 IHAB O=C(c1ccccn1)N1CCCC[C@H]1c1nc(O)c2c(n1)CN(Cc1cccs1)CC2 19400118 PRVBXUWJYIPEBS-FQEVSTJZSA-N 435.553 3.564 0 40 IHAB CC(C)c1ncc(CN[C@@H](Cc2cc(=O)[nH]c(-c3ccccn3)n2)c2ccccc2)cn1 19454134 ZGQRDBDFJLWDSY-QFIPXVFZSA-N 426.524 3.819 0 40 IHAB CCNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)c2cncc(N)c2)C1 19528586 JBLRTFWPLNQGNS-RUZDIDTESA-N 448.592 3.994 0 40 IHAB COc1ccc(OC)c(CN2CCNC(=O)[C@H](Cc3ccccc3-c3cccnc3)C2)c1 19551615 OFPGFGXLTKDYMV-JOCHJYFZSA-N 431.536 3.557 0 40 IHAB CNC(=O)c1[nH]c(C2CCN(Cc3cnc(C(C)C)nc3)CC2)nc1-c1ccc(OC)cc1 19697010 QQMAPUHDRQIZAY-UHFFFAOYSA-N 448.571 3.738 0 40 IHAB Cc1ccc(F)cc1NC(=O)COc1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 19937891 PUUGFUMCBCTIRM-UHFFFAOYSA-N 428.485 3.977 0 40 IHAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC 20050698 XUFWWGMHGQTGAD-OAQYLSRUSA-N 446.569 3.974 0 40 IHAB Cc1ccc(N(CCCC(=O)NCc2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1C 20111152 GMPVBOIPTDZDJZ-UHFFFAOYSA-N 432.586 3.953 0 40 IHAB C[C@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)N1CCN(Cc2ccccc2)CC1 21242897 YWHPOUZNVXRQIV-IBGZPJMESA-N 447.608 3.970 0 40 IHAB CC(=O)c1ccc(NC(=O)CN2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc1 22834233 KCLAOABMRLCLMA-UHFFFAOYSA-N 434.565 3.769 0 40 IHAB O=C(CCNS(=O)(=O)c1ccccc1)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 24832838 UFAKMARMUYGXSB-UBSBWAOCSA-N 446.572 3.769 0 40 IHAB O=C(C1CCN(S(=O)(=O)CCCc2ccccc2)CC1)N1CCCc2ccccc21 26111784 PTYSPRSXRKXLMC-UHFFFAOYSA-N 426.582 3.640 0 40 IHAB CCOC(=O)c1ccoc1COC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 27365077 QZHCADQNBQNZLR-UHFFFAOYSA-N 443.905 3.544 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 31952602 LKKGEVILWGSPHZ-PKNBQFBNSA-N 442.563 3.782 0 40 IHAB O=C(CSc1ncnc2c1cnn2-c1ccccc1)NCCc1c[nH]c2ccccc12 32745205 SVJIUSGWIWTHTI-UHFFFAOYSA-N 428.521 3.748 0 40 IHAB O=C(NCCc1ccc2c(c1)OCCO2)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 32802754 KBUJGUMENUAJDA-XMMPIXPASA-N 428.492 3.965 0 40 IHAB Cc1ccc(NC(=O)[C@H](C)OC(=O)C2CCN(C(=O)OCC(F)(F)F)CC2)c(C)c1 32869293 GKKQCSUWTCDLQO-AWEZNQCLSA-N 430.423 3.585 0 40 IHAB C[C@@H](OC(=O)c1sccc1S(=O)(=O)N1CCCC1)C(=O)c1ccc(Cl)cc1 32901768 IJMCXTJARXDQQV-GFCCVEGCSA-N 427.931 3.614 0 40 IHAB COc1ccc(OCC(=O)Nc2ccccc2OCc2cc(=O)n3cc(C)ccc3n2)cc1 33068123 TWNHUQGXNGNNQA-UHFFFAOYSA-N 445.475 3.608 0 40 IHAB COc1ccc2c(c1)c1nc(SCC(=O)Nc3cccc(Cl)c3)n(C)c(=O)c1n2C 33287624 IATPKRZOCUOORJ-UHFFFAOYSA-N 442.928 3.818 0 40 IHAB Cc1ccnc(-n2c(SCC(=O)c3ccc4c(c3)OCO4)nc3ccccc3c2=O)c1 34871980 HAIPWGGYHOLOHI-UHFFFAOYSA-N 431.473 3.793 0 40 IHAB Cc1cc2nc(COc3ccccc3NC(=O)COc3cccc(C)c3C)cc(=O)n2o1 35378563 RJPMFSMLGRCWIF-UHFFFAOYSA-N 433.464 3.809 0 40 IHAB O=C(Nc1cccc(OCCn2cccn2)c1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 36397626 BLHSZHBNYCCBAE-UHFFFAOYSA-N 439.415 3.508 0 40 IHAB CCN(CC(=O)Nc1cccc(Cl)c1Cl)S(=O)(=O)c1cc(C)ccc1OC 39985506 JTVLFLRPUCRBMY-UHFFFAOYSA-N 431.341 3.960 0 40 IHAB O=C(COc1ccccc1Cl)Nc1cc(-c2ccccc2)nn1[C@H]1CCS(=O)(=O)C1 41024780 HQHNPCZDRSFHPA-INIZCTEOSA-N 445.928 3.581 0 40 IHAB Cc1ccc([C@H](C)NC(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1C 44856436 GEKZLUCGDIIKBK-MGPUTAFESA-N 436.961 3.751 0 40 IHAB COC[C@@H](C)NC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccc(C)cc3)ccc2s1 46058738 LIFBYFSDLPYRLF-OAHLLOKOSA-N 432.567 3.800 0 40 IHAB O=C(N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)c1ccc2c(c1)OCCO2 48285560 JFYNGXPTUCREBZ-QGZVFWFLSA-N 434.414 3.570 0 40 IHAB CCN(CC)CCC[C@H](C)NC(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1Cl 48299562 LOIRNHSRNSDYII-INIZCTEOSA-N 432.030 3.609 0 40 IHAB COc1ccc(C)cc1NC(=O)Cn1cccc(-c2nc(-c3ccc(C)cc3)no2)c1=O 57511235 ZDCWPAMETRPUHE-UHFFFAOYSA-N 430.464 3.829 0 40 IHAB O=C(NCC(F)(F)F)[C@@H]1CCCN1C(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 58173468 AFJUQNYKGURVSW-KRWDZBQOSA-N 441.400 3.907 0 40 IHAB COc1ccc(CN2C(=O)c3ccc(C(=O)Nc4nnc(C5CCC5)s4)cc3C2=O)cc1 61720293 IIFCDKXPTRINJV-UHFFFAOYSA-N 448.504 3.863 0 40 IHAB CCCOc1ccc(Br)cc1/C=C/C(=O)Nc1nc(CC(=O)O)cs1 62715846 YXWIFANQKDUMDE-ZZXKWVIFSA-N 425.304 3.973 0 40 IHAB CCCCCNC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C)cc2)c2cc(Cl)ccc2O1 64986193 FOGTVUZGMRHSTM-HXUWFJFHSA-N 436.961 3.911 0 40 IHAB CCc1ccccc1NC(=O)Cn1c(-c2cccc(Cl)c2)nc(C)c(CCO)c1=O 67301573 KDBGBLSHFJQVKO-UHFFFAOYSA-N 425.916 3.608 0 40 IHAB COc1cccc([C@@H](C)NC(=O)Cn2c(C)cc3nc(SC)n(CC(C)C)c(=O)c32)c1 67320170 ORAGVYKPIACFKT-MRXNPFEDSA-N 442.585 3.770 0 40 IHAB CC(C)Cc1noc(CN2CCC([C@@H]3CCCCCN3C(=O)C3CCOCC3)CC2)n1 71890555 WZHXJGLSEAJRSB-NRFANRHFSA-N 432.609 3.678 0 40 IHAB O=C(NCC[S@@](=O)Cc1ccccc1)[C@H](c1cccc(Br)c1)N1CCCC1 72306975 GCWZZKRFZXRRFB-DCFHFQCYSA-N 449.414 3.651 0 40 IHAB COc1ccccc1Cn1nc2nnc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)n2c1=O 72339922 SUSLQLDJUHSUCS-UHFFFAOYSA-N 445.429 3.955 0 40 IHAB O=C(c1cc(-c2ccco2)n[nH]1)N1CCC[C@H](n2nnc3cc(C(F)(F)F)ccc32)C1 72347966 VWWFNJBXTDFVAJ-ZDUSSCGKSA-N 430.390 3.911 0 40 IHAB COCCc1nnc(NC(=O)C2(Cc3cc(-c4ccc(C)cc4)no3)CCOCC2)s1 72393554 BAAYHIVHYNLXAM-UHFFFAOYSA-N 442.541 3.668 0 40 IHAB Cc1cc(C(=O)Nc2nc(C(=O)NCc3ccc(OCc4ccccc4)cc3)co2)no1 90583097 OOXCFGYQIUBLRV-UHFFFAOYSA-N 432.436 3.732 0 40 IHAB CS(=O)(=O)c1ccc(NC(=O)[C@H]2CCCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)cn1 95997634 SSSUOPGVSHLCBU-CABCVRRESA-N 432.933 3.927 0 40 IHAB O=C(Nc1cccc(F)c1)[C@@H]1CN(C(=O)NCc2cccc(F)c2)CC12CCOCC2 96241073 JXDMNPVSWCYANN-FQEVSTJZSA-N 429.467 3.542 0 40 IHAB CC(C)OC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC(C)C)[C@@H]1c1ccc(C(C)(C)C)cc1 101998704 UTHOPROUGTUCHE-NAZDKBRTSA-N 432.557 3.927 0 40 IHAB CCOC(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccc(Br)cc1 113887339 UHGZSAUONPUJEC-UHFFFAOYSA-N 442.331 3.606 0 40 IHAB CC(C)Oc1cccc(CNC(=O)CN(c2ccc(C(F)(F)F)cc2)S(C)(=O)=O)c1 220047606 YLJNCKYSKGWABN-UHFFFAOYSA-N 444.475 3.575 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1 222528081 ZOSMAJRSOGDRIP-UHFFFAOYSA-N 438.505 3.941 0 40 IHAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(F)cc1 222555346 ZAGRCCVICBZGTF-VGOFRKELSA-N 430.520 3.935 0 40 IHAB COc1cccc(N(C)C(=O)COc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)c1 222692372 YTMVOKKZOFGMNJ-UHFFFAOYSA-N 440.521 3.846 0 40 IHAB COc1ccc(CN(C(=O)Cc2ccccc2)[C@@H](C)C(=O)NCc2ccccc2OC)cc1 222990868 ZVMLZNUVVMPYLC-FQEVSTJZSA-N 446.547 3.980 0 40 IHAB CC[C@@H](NC(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O)c1ccc(OC)c(C)c1 223133373 XSPMJFJCPIMKBP-LJQANCHMSA-N 438.977 3.999 0 40 IHAB Cc1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)cc1N1CCCCS1(=O)=O 223522600 VYYKLGMOVLAKPZ-UHFFFAOYSA-N 428.539 3.696 0 40 IHAB C[C@@H](C(=O)NCCOc1cccc2ccccc12)N(c1cccc(Cl)c1)S(C)(=O)=O 223531608 NKVUWAGXGHTWKC-INIZCTEOSA-N 446.956 3.843 0 40 IHAB Cc1ccc(N(C)CCNC(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)cc1 224258128 SJOFRJBDLSZXLY-UHFFFAOYSA-N 437.565 3.686 0 40 IHAB Cc1ccc(C)c([C@H](C)NS(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)c1 224293878 DDCQRNXLONZHOA-HNNXBMFYSA-N 430.555 3.755 0 40 IHAB O=C(CCc1ccc2c(c1)OCO2)Nc1ccc(S(=O)(=O)Nc2ccccc2F)cc1 224567562 RWNLPETYAXBILR-UHFFFAOYSA-N 442.468 3.927 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)N(C)c2ccccc2)C2CCCCC2)cc1OC 226013498 ANJZIZOZQXLXDM-UHFFFAOYSA-N 446.569 3.690 0 40 IHAB O=C(NCc1ccnc(-c2cccs2)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 238825849 DSQGNKLXKJYSAO-UHFFFAOYSA-N 427.551 3.525 0 40 IHAB Cc1ccc2[nH]nc(C(=O)N3CCC[C@@H](CC(=O)Nc4ccc5nc(C)[nH]c5c4)C3)c2c1 257219010 DFGFFUZKCPSCIP-INIZCTEOSA-N 430.512 3.937 0 40 IHAB CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)c1sc(N)nc1C 257270059 MSPUCAAYZZDKMT-BORCDFBASA-N 438.597 3.649 0 40 IHAB COc1ccc(F)cc1-c1ccc(CC2(C(=O)N3CCC[C@H](O)C3)CCOCC2)cc1 257274632 NLYAPYRQIWMVQD-NRFANRHFSA-N 427.516 3.824 0 40 IHAB Cc1cc(Nc2ncccc2C)cc([C@@H]2CN(C(=O)COc3ccccc3F)CCO2)n1 257281968 ORTNNYNORHMLNI-QFIPXVFZSA-N 436.487 3.955 0 40 IHAB Cc1ccc(Cc2cc(C)nc([C@@H]3CN(C(=O)CN4CCCCCC4=O)CCO3)c2)cc1 257293797 QREUORBRCDKYNN-DEOSSOPVSA-N 435.568 3.592 0 40 IHAB COc1ccc([C@@H]2CN(C(=O)c3ccc(OC)c(OCc4ccccn4)c3)CCN2C)cc1 257311774 UKYAVTGJVXXDKT-QHCPKHFHSA-N 447.535 3.807 0 40 IHAB CC(=O)N(c1ccccc1)[C@@H]1COC2(CCN(Cc3ccnc(N4CCCCC4)n3)CC2)C1 257326321 WWTVTVWQBRCVHX-DEOSSOPVSA-N 449.599 3.644 0 40 IHAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCC3CCCCC3)Oc3ccccc32)cc1 260841669 BJCYAOXMUXVNFN-JOCHJYFZSA-N 428.554 3.648 0 40 IHAB O=C(O)c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c1 260912636 FXLAJSFQBKJBFK-BVYCBKJFSA-N 448.548 3.722 0 40 IHAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(OC)c(Cl)c2)cc1Cl 408600679 BYHZVNRPGCOZBB-NSHDSACASA-N 447.340 3.706 0 40 IHAB COc1ccc(N(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)S(C)(=O)=O)cc1 408630299 RIVJPQCQXQIHAM-UHFFFAOYSA-N 436.839 3.772 0 40 IHAB Cc1cccc(NC(=O)COC(=O)CCC(=O)Nc2cccc(C(=O)OCC(C)C)c2)c1 408663760 OPWZGHNMJMGJNY-UHFFFAOYSA-N 440.496 3.708 0 40 IHAB C[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)NCc1ccc(C(N)=O)cc1)OCCO3 503725982 HFWGAFLGFWDQPW-INIZCTEOSA-N 435.524 3.655 0 40 IHAB O=C(CN1CCCCCC1)Nc1cccc(NC(=O)c2cccc(Cn3ccnc3)c2)c1 505760075 KYOOKXWHRNXNDY-UHFFFAOYSA-N 431.540 3.998 0 40 IHAB O=C1CCCC[C@]2(CN(C(=O)c3ccccc3Cn3ccnc3)C[C@H]2c2ccccc2)N1 585261699 SBNAIWAFCKPFMX-JYFHCDHNSA-N 428.536 3.600 0 40 IHAB Cc1cncc(C(=O)N2CCC[C@]3(CCCCc4ccccc4OCCN(C)C3=O)C2)c1 643561579 SWLKYYBHHRRNMN-AREMUKBSSA-N 435.568 3.876 0 40 IHAB CC(C)C(=O)N1CCCCCCCNCc2cc(C(=O)N3CCC(CO)CC3)ccc21 643583497 DPDWDHVADGSWLK-UHFFFAOYSA-N 429.605 3.574 0 40 IHAB Cc1nc(C(C)C)ncc1C(=O)N1CC[C@H]2NC(=O)c3ccccc3OCCC=CC[C@H]2C1 2037843493 DSWVPVMFBMBMBI-SIKLNZKXSA-N 448.567 3.898 0 40 IHAB Cc1ccc(OCC(=O)Nc2ccc(N3CCOCC3)cc2)c(-n2nc3ccccc3n2)c1 1102598 NCWUWPFUOOWCRT-UHFFFAOYSA-N 443.507 3.583 0 40 IHAB Cc1ccc(NC2=NC(=O)C[C@H](C(=O)Nc3ccc(C(=O)OC(C)C)cc3)S2)cc1 2204177 FENVEUMIENTIPK-GOSISDBHSA-N 425.510 3.999 0 40 IHAB COc1ccc(C(=O)NCC(=O)O[C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)cc1 2662833 BSXGWVRTNCMBPS-DEOSSOPVSA-N 446.503 3.965 0 40 IHAB CCCCCOc1ccc(-c2nc3s/c(=C\c4ccccc4OC(C)=O)c(=O)n3n2)cc1 3649031 WPVLQELNSICGJS-QNGOZBTKSA-N 449.532 3.860 0 40 IHAB C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 4895682 SICPRSODMGTJDS-IAGOWNOFSA-N 428.620 3.591 0 40 IHAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1 6088659 YVOGANSEPCSZJH-LJQANCHMSA-N 429.498 3.888 0 40 IHAB CCOC(=O)c1c(C)n(C)c2ccc(OC[C@@H](O)CNc3ccc(OCC)cc3)cc12 6732832 IIGOYALHOSWJOX-SFHVURJKSA-N 426.513 3.914 0 40 IHAB COc1ccc(OC)c(NC(=O)[C@@H](C)N(C)Cc2cc(Br)ccc2OC)c1 8735747 LSOBOVNGXYIADX-CYBMUJFWSA-N 437.334 3.934 0 40 IHAB Cc1c(Cl)cccc1NC(=O)CSc1ncc(S(=O)(=O)c2ccccc2)c(N)n1 9152056 KMLWXVPKRXANCR-UHFFFAOYSA-N 448.957 3.584 0 40 IHAB Cc1cc(OCC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)cc(C)c1Cl 9470175 CZNQIGOLVGLLRL-HNNXBMFYSA-N 427.975 3.613 0 40 IHAB Cc1cccn2cc(COC(=O)c3cc(S(=O)(=O)N4CCCCC4)ccc3Cl)nc12 9636877 MJZNLVZSIZUHDO-UHFFFAOYSA-N 447.944 3.828 0 40 IHAB COc1cc(Br)c(CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)cc1OC 9641163 QZANELCJBMHUPC-NRFANRHFSA-N 445.313 3.750 0 40 IHAB CCOC(=O)C1CCN(CC(=O)Nc2oc3ccccc3c(=O)c2-c2ccccc2)CC1 10232992 BNRCPCVQIGNLIK-UHFFFAOYSA-N 434.492 3.674 0 40 IHAB CC(C)(C)n1ncc2c(=O)n(NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cnc21 10250834 GANZBJFOFSXUFH-UHFFFAOYSA-N 447.339 3.770 0 40 IHAB CN(C)S(=O)(=O)c1ccc(C(=O)N(C(=O)N2CCCCC2)c2ccc(Cl)cc2)cc1 10254564 PTPBPUKEFCLQNH-UHFFFAOYSA-N 449.960 3.843 0 40 IHAB CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)CSc2nccn2C2CC2)cc1 11894733 ZSOYQTOMNAOHNA-UHFFFAOYSA-N 448.614 3.902 0 40 IHAB COc1cccc([C@@H](NC(=O)Cc2c(C)nn(-c3ccccc3)c2C)c2nccn2C)c1 12535629 KXPHJIXPHMVVFB-XMMPIXPASA-N 429.524 3.680 0 40 IHAB CCc1cccc(-n2c(SCc3nc(C(C)(C)C)no3)nnc2N2CCOCC2)c1 12539114 VHHYAMGFPVTZIM-UHFFFAOYSA-N 428.562 3.639 0 40 IHAB O=C(COc1cccc(-n2cnnn2)c1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 12600628 HXWSNZKRPYSXIN-UHFFFAOYSA-N 433.855 3.564 0 40 IHAB CC(C)(C)NC(=O)[C@@H](c1ccncc1)N(Cc1ccccc1Cl)C(=O)c1csnn1 12638184 AYMPOYWOIXJNOW-GOSISDBHSA-N 443.960 3.885 0 40 IHAB C[C@@H](NC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2C)c1ccc(Cl)c(Cl)c1 12771097 APYQSCUMYAIFRY-GTJPDFRWSA-N 432.307 3.780 0 40 IHAB CCc1ccc(OCC(=O)NCCN2C(=O)S/C(=C\c3ccccc3F)C2=O)cc1 12777283 KKCXZJNDBBHVLH-UYRXBGFRSA-N 428.485 3.620 0 40 IHAB Cc1cccc(-n2c(SCCn3nc4ccccn4c3=O)nc3ccccc3c2=O)c1C 12978607 VGKWCZOUWGNGFK-UHFFFAOYSA-N 443.532 3.604 0 40 IHAB COc1cc([C@H](c2nnnn2Cc2ccccc2)N2CCc3ccccc3C2)ccc1O 13496280 IWJSNRNDHZYTBI-XMMPIXPASA-N 427.508 3.583 0 40 IHAB O=C(CN1c2cccc3cccc(c23)S1(=O)=O)N[C@H]1CCSc2ccc(F)cc21 14196990 IOFOQEOJTBFRQZ-INIZCTEOSA-N 428.510 3.841 0 40 IHAB C[C@@H](Sc1nnnn1C[C@@H]1CCCO1)c1nc2scc(-c3cccs3)c2c(=O)[nH]1 14242614 FRRKEFRMFQMBOO-MNOVXSKESA-N 446.583 3.732 0 40 IHAB CC(=O)N[C@H](CC(=O)NCCNc1ncc(C(F)(F)F)cc1Cl)c1cccs1 14529014 JDRQFNJFVVLMEA-CYBMUJFWSA-N 434.871 3.611 0 40 IHAB Cc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1NS(=O)(=O)c1ccc(F)cc1 15269449 GIOKWDDRLLWYOQ-UHFFFAOYSA-N 442.468 3.958 0 40 IHAB COc1ccc(S(=O)(=O)[C@H](CNC(=O)COc2ccc(C)cc2)c2cccs2)cc1 15780945 SDQMMLCGHNBEFF-OAQYLSRUSA-N 445.562 3.775 0 40 IHAB CCOc1c(C)cc(S(=O)(=O)NCC2(c3ccccc3OC)CCOCC2)cc1C 16973270 KSOHNMROMAPROX-UHFFFAOYSA-N 433.570 3.737 0 40 IHAB COc1ccc(-c2nc3scc(CCNS(=O)(=O)c4ccc(C)c(C)c4)n3n2)cc1 17053107 YNJAHRQVLXZWCA-UHFFFAOYSA-N 442.566 3.604 0 40 IHAB C[C@@H](Oc1ccccc1F)C(=O)N1CCC(c2nc(O)cc(-c3nccs3)n2)CC1 19078068 RBFBTBMFKPYIKB-CYBMUJFWSA-N 428.489 3.618 0 40 IHAB CCCn1ncc(CN2CCC(C[C@H]3CC(c4ccc(F)cc4)=NO3)(C(=O)O)CC2)c1C 19525933 LFDJHMNJXANSSU-OAQYLSRUSA-N 442.535 3.991 0 40 IHAB COc1ccc(CC(=O)N2CC[C@@](Cc3ccc(-c4cccs4)cc3)(C(N)=O)C2)cc1 19554017 JRAQCPSINOKFQZ-VWLOTQADSA-N 434.561 3.913 0 40 IHAB Cc1nn(CC(=O)NC2CCN(c3ncc(-c4ccncc4)c(C(C)C)n3)CC2)c(C)c1C 19556611 AFFAETYLRWTHPZ-UHFFFAOYSA-N 447.587 3.569 0 40 IHAB CC1=NN(CCC(=O)N2CCC[C@@H](c3nc(N(C)C)ncc3-c3ccccc3F)C2)CC1 19693947 QLQALCLNPPTVIA-GOSISDBHSA-N 438.551 3.526 0 40 IHAB CC[C@H](c1ccc(F)cc1)N(C)C(=O)c1ccc(=O)n(CC(=O)N(C)c2ccccc2)c1 19751137 SNLUEQUFWOZQBH-JOCHJYFZSA-N 435.499 3.874 0 40 IHAB CCOC(=O)[C@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@@H]1c1cccnc1 19820093 ZZOAYGHLJOESQT-FGZHOGPDSA-N 426.476 3.747 0 40 IHAB CCN1CCN([C@@H](CNC(=O)c2ccc(Br)cc2)c2ccc(OC)cc2)CC1 19902088 IQYHNGVYUSNANQ-NRFANRHFSA-N 446.389 3.566 0 40 IHAB O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1)N[C@H]1CCCc2ccccc21 19935540 CBSULIQEEXPOHA-IBGZPJMESA-N 448.972 3.697 0 40 IHAB Cc1cccc(NC(=O)Cn2c(CN3CCCC3)nc3sc4c(c3c2=O)CCCC4)c1 19982589 NVAJIGHJIVSLPL-UHFFFAOYSA-N 436.581 3.880 0 40 IHAB CC(=O)N[C@@H](CC(=O)Nc1ccnn1Cc1ccc(Br)cc1)c1cccs1 21465169 XVJIMNMQKVNPID-INIZCTEOSA-N 447.358 3.961 0 40 IHAB CCOc1ccccc1N(CC(=O)N[C@H]1CC(C)(C)Oc2cc(C)ccc21)S(C)(=O)=O 22333044 CJCKEFXCESPFCU-SFHVURJKSA-N 446.569 3.578 0 40 IHAB O=C(c1cc(Cl)ccc1Cl)N1CCN(c2ccc3nnc(-c4ccco4)n3n2)CC1 23135480 AKLLFFDXVNJPRG-UHFFFAOYSA-N 443.294 3.654 0 40 IHAB COc1cc([C@H](c2sc3nc(C)nn3c2O)N2C[C@H](C)C[C@@H](C)C2)cc(OC)c1OC 23157995 IAPCCGCKECZCOG-SNUQEOBHSA-N 446.573 3.898 0 40 IHAB Cc1ccc(Cn2nc(C)c(C(=O)NCc3ccccc3CN3CCOCC3)c2C)cc1 23882314 VTEBXSSRPXKTBN-UHFFFAOYSA-N 432.568 3.619 0 40 IHAB O=C(CCSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)N1CCC[C@H]1c1cccnc1 24988225 FUCQMZCUUJCYJU-INIZCTEOSA-N 440.594 3.855 0 40 IHAB O=C(COc1cccc(Cl)c1)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 32371183 AOSHFKOMWXYLHR-UHFFFAOYSA-N 447.322 3.767 0 40 IHAB COc1ccc(S(=O)(=O)Nc2nn(Cc3ccccc3F)cc2Cl)cc1OC 32610586 AKKLJBPLUZKTBM-UHFFFAOYSA-N 425.869 3.542 0 40 IHAB COc1ccccc1N1C(SCc2ccc(F)cc2Cl)=N[C@H]2CS(=O)(=O)C[C@H]21 32640393 YTWYVHVTMKWLDB-DOTOQJQBSA-N 440.949 3.763 0 40 IHAB O=C(CSCc1ccc(Cl)s1)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 32674425 IEZNAXUHMROOTF-UHFFFAOYSA-N 444.003 3.744 0 40 IHAB COc1ccc(-c2noc(CCCCCNC(=O)c3ccccc3[S@@](C)=O)n2)cc1 32772573 CVWCCXFPPTXZRG-PMERELPUSA-N 427.526 3.625 0 40 IHAB C[C@@H](OC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)c1nc(-c2cccnc2)no1 32901666 JEFHCAJZXTWUHG-BMIGLBTASA-N 430.873 3.892 0 40 IHAB Cc1ccc(CNC(=O)c2cc(-c3ccc(C)c(C)c3)n([C@H]3CCS(=O)(=O)C3)n2)cc1 33325694 KLJJEGRRTYVRJV-NRFANRHFSA-N 437.565 3.765 0 40 IHAB COc1ccc(C(=O)N2CC[C@]3(O)CCCC[C@@H]3[C@@H]2c2ccc(O)c(OC)c2)c(OC)c1 33697991 IPZLNMQUSXRPEM-HFRGRHLUSA-N 441.524 3.927 0 40 IHAB C[C@@H]1CCCC[C@@]12NC(=O)N(CCC(=O)Nc1ccccc1C(=O)c1ccccc1)C2=O 40025001 BTBJYRVOIKYQLH-CRICUBBOSA-N 433.508 3.747 0 40 IHAB Cc1cc2nc(COC(=O)c3cccc(NC(=O)c4ccccc4C)c3C)cc(=O)n2o1 41089620 HZUZVNLUNKWIIW-UHFFFAOYSA-N 431.448 3.822 0 40 IHAB Cc1cc(C)c2cc(C(=O)OCC(=O)c3ccc4c(c3)CCCN4S(C)(=O)=O)[nH]c2c1 48287691 JBCOSVIRKMRUCB-UHFFFAOYSA-N 440.521 3.537 0 40 IHAB COc1ccc(C(=O)N2CC[C@H](c3nnc(Cc4c[nH]c5ccccc45)o3)C2)cc1OC 49171034 VRAQGVINQMQMRY-INIZCTEOSA-N 432.480 3.789 0 40 IHAB biogenic,in-vitro O=C(CN1CCN(c2ccc3c(c2)OCO3)C1=O)Nc1nc2ccc(Cl)cc2s1 49389243 JORJCTWKBIXMFI-UHFFFAOYSA-N 430.873 3.559 0 40 IHAB CSc1ccc(N2C(=O)N(Cc3c(C)noc3C)S(=O)(=O)c3cccnc32)cc1 49420953 CTJLKWKLQZCMOC-UHFFFAOYSA-N 430.511 3.871 0 40 IHAB COc1ccccc1[C@H](CNC(=O)C1(C(=O)Nc2ccc(F)cc2)CC1)N1CCCC1 57996964 QTYHVXXJYUAWCF-FQEVSTJZSA-N 425.504 3.506 0 40 IHAB CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCNc1ncccc1C(F)(F)F 59352670 MXPDRNXAKLTSAO-MRXNPFEDSA-N 442.869 3.737 0 40 IHAB Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)Cc3cc(Cl)c4c(c3)OCCCO4)C2)n1 65504806 JXYPCGAVVFOCME-KRWDZBQOSA-N 443.931 3.625 0 40 IHAB COC(=O)[C@@H](Cc1c[nH]c2ccc(Br)cc12)NC(=O)[C@H](C)OCCC(C)C 72306764 GIGIIIAJRNJHJJ-SCLBCKFNSA-N 439.350 3.582 0 40 IHAB COc1cccc(CN2C(=O)Cc3c(C)nc([C@@H]4CCCCN4C(=O)CC(C)C)nc32)c1 72371828 MOGFDVFKOPWLHN-NRFANRHFSA-N 436.556 3.983 0 40 IHAB Cc1nnc(SCC(=O)NC2CCN(CC3(c4cccc(F)c4)CCCC3)CC2)o1 72393450 QEIJTQXVOJFVNH-UHFFFAOYSA-N 432.565 3.702 0 40 IHAB CCOc1ccc([C@@H](N)c2nc(-c3cc(Br)ccc3O)n[nH]2)cc1OCC 95534565 ODNQHWVWNFUKTP-QGZVFWFLSA-N 433.306 3.785 0 40 IHAB O=S(=O)(NC1CC1)c1cccc(NCc2nc(-c3ccc(Br)cc3)c[nH]2)c1 95945445 FTUIWGDZWOOLMQ-UHFFFAOYSA-N 447.358 3.892 0 40 IHAB COCc1ccccc1CNC(=O)CN[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 96012806 RNJHUKRZWFPFGI-XMMPIXPASA-N 446.526 3.969 0 40 IHAB CCc1ccc(S(=O)(=O)N2CCC3(CC2)C[C@@H](Nc2cccc(OC)c2)CO3)cc1 96221478 OCZQBXFKJVUGHB-HXUWFJFHSA-N 430.570 3.682 0 40 IHAB CCOC(=O)C1=NN(c2cccc(Cl)c2)[C@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]12 96297365 IRDDNVUFRRBXFA-SJLPKXTDSA-N 446.290 3.599 0 40 IHAB CCn1c(Cc2ccc3c(c2)OCCCO3)nnc1SCC(=O)NCc1cccs1 101174887 TUISFWJSNBYZCK-UHFFFAOYSA-N 444.582 3.520 0 40 IHAB Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)c(C)c1 102086422 FVJQOGODHOAVTE-HSXQVNBESA-N 440.543 3.906 0 40 IHAB Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2[C@H]2CCCN21 103535691 UOUDTJKJGXFWJA-PUFAWVJESA-N 449.938 3.696 0 40 IHAB CCOC(=O)c1cccc(NC(=O)[C@@H](CC)N(c2cccc(Cl)c2)S(C)(=O)=O)c1 219093347 PQRKVBZWYWZTAJ-GOSISDBHSA-N 438.933 3.700 0 40 IHAB CC[C@H](C(=O)N[C@@H](C)COc1ccc(C)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 219124161 VHTNZGAGLHDRAJ-SIKLNZKXSA-N 432.586 3.740 0 40 IHAB COc1cccc(N([C@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)S(C)(=O)=O)c1 220185108 QDSXESKGUTWYPJ-OXQOHEQNSA-N 446.569 3.577 0 40 IHAB CCc1ccc(N([C@@H](C)C(=O)NCCSCc2ccccc2C)S(C)(=O)=O)cc1 220272864 UNORZMDXDCPJOI-SFHVURJKSA-N 434.627 3.762 0 40 IHAB CCOc1ccc(CNC(=O)[C@@H](C)N(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 220438479 OMPFHJDJAFMHPB-CYBMUJFWSA-N 445.368 3.863 0 40 IHAB Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)N(C)c2ccc(F)cc2)cc1 222685349 UHCPBYCLYYJOQG-UHFFFAOYSA-N 428.485 3.977 0 40 IHAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(OC)c(OC)c1 222986525 IFUDNJLZXMVMBG-LJQANCHMSA-N 426.557 3.970 0 40 IHAB COc1ccc(OC)c(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(F)cc3)c2)c1 224167775 PVTXSRSACQFCRQ-UHFFFAOYSA-N 444.484 3.920 0 40 IHAB CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)NCCOc1ccccc1 224560206 LWJSBSPRKQZNJZ-UHFFFAOYSA-N 436.533 3.620 0 40 IHAB COc1ccc(C(=O)NCc2ccco2)cc1CN(C)S(=O)(=O)c1ccc(Cl)cc1 224788551 UXRDMNHSPGFUNE-UHFFFAOYSA-N 448.928 3.692 0 40 IHAB Cc1cccc(N(CCCC(=O)Nc2nnc(SC(C)C)s2)S(C)(=O)=O)c1 224859998 FFZHRAOUFGUIEW-UHFFFAOYSA-N 428.605 3.532 0 40 IHAB CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)COc1cc(C)cc(C)c1C 225463361 XLFZPFSJUUUBEU-KRWDZBQOSA-N 447.373 3.916 0 40 IHAB C[C@@H]1CC[C@@H]2N(C[C@@H]3[C@H](CC[C@@H]4[C@@H]5C[C@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@@H]34)[C@]2(C)O)C1 247643466 IUKLSMSEHKDIIP-MNNIRITPSA-N 431.661 3.678 0 40 IHAB CCn1cc(NC(=O)CN2[C@H](c3ccc(F)cc3)C[C@]3(C)NC(=O)CCCC[C@H]23)c(C)n1 257243152 IFQNTBSYAIMDLM-HFMPRLQTSA-N 441.551 3.554 0 40 IHAB COc1cccc(CN2CC[C@@H](c3cc4nc(C)c(CCC(=O)NC(C)C)c(C)n4n3)C2)c1 257246298 ITMMKNUNYVPAAG-OAQYLSRUSA-N 449.599 3.801 0 40 IHAB COc1ccc(C)cc1N([C@H](C)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21)S(C)(=O)=O 260592089 PIHDECRXGLJDTM-AEFFLSMTSA-N 446.569 3.577 0 40 IHAB COc1ccccc1[C@@H](C)NC(=O)[C@H](C)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 260836936 BONJCBHINVXBFX-KGLIPLIRSA-N 444.475 3.746 0 40 IHAB Cc1nc2c(n1C(C)C)CN(Cc1ccc(F)cc1)CC21CCN(C(=O)N(C)C)CC1 306132940 LXBYSZOFSGBZLQ-UHFFFAOYSA-N 427.568 3.943 0 40 IHAB CCn1c(SCC(=O)Nc2ccccc2O)nnc1-c1cc(Br)ccc1O 408542106 GSMKBZNRGNPOHF-UHFFFAOYSA-N 449.330 3.870 0 40 IHAB Cc1cc(C)cc(N([C@H](C)C(=O)Nc2ccccc2C(=O)NC(C)(C)C)S(C)(=O)=O)c1 408609547 PAOHIACPTLPNKQ-QGZVFWFLSA-N 445.585 3.625 0 40 IHAB Cc1cccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)c2)c1C 408652886 DHFWGKAQVDQKCO-PMACEKPBSA-N 434.492 3.779 0 40 IHAB C[C@H]1CN(C(=O)c2cccc(Nc3nn[nH]n3)c2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 1141359093 NWHSABCHZCPBFC-SJCJKPOMSA-N 432.406 3.564 0 40 IHAB CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(-n2nccc2-c2ccc(F)cc2)cc1 1537133971 LFNLGGSCDDZVAB-QHCPKHFHSA-N 442.494 3.766 0 40 IHAB Cn1cncc1CN1CCC(N2C(=O)NCCOc3ccccc3[C@H]2c2ccccc2)CC1 2037978368 SITWXOMHOKGDEY-RUZDIDTESA-N 445.567 3.578 0 40 IHAB COc1cc(C(=S)N2CCOCC2)ccc1OC(=O)c1ccc(Br)cc1 828129 OXQARWSRBCLWDP-UHFFFAOYSA-N 436.327 3.685 0 40 IHAB Cc1noc(C)c1COc1ccc(C(=O)OCC(=O)NCc2ccccc2Cl)cc1 3341350 VCKDOSXSIDDWGL-UHFFFAOYSA-N 428.872 3.997 0 40 IHAB CCn1cc(C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)c(=O)c2ccc(C)nc21 3369390 LLKAVXSVEUWBQJ-UHFFFAOYSA-N 434.279 3.827 0 40 IHAB O=C(NCc1ccc(F)cc1)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 3412008 TUTFVPDGBIZGRL-UHFFFAOYSA-N 444.450 3.562 0 40 IHAB CCOCCCn1c(SCC(=O)NCc2ccc(Cl)cc2)nc2ccccc2c1=O 3500326 KGMHQJKQZJRESF-UHFFFAOYSA-N 445.972 3.885 0 40 IHAB O=C(Nc1ccc(OC(F)(F)F)cc1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 3532844 FMTQXCHCCAADGX-QGZVFWFLSA-N 428.432 3.767 0 40 IHAB CCc1nnc(NC(=O)C[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)s1 3626862 DBELNUGSNLCSDJ-QGZVFWFLSA-N 444.582 3.534 0 40 IHAB COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)N2Cc2cccnc2)cc1 6136672 YVUVJNNGNJHXQW-OAQYLSRUSA-N 448.454 3.596 0 40 IHAB COc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)N3CCCCCC3)c(=O)[nH]c2c1 6282837 VIBUVKMPXCSPEV-QFIPXVFZSA-N 436.560 3.994 0 40 IHAB Cc1ccsc1CN(C(=O)c1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 8612035 QWDCLXAIQKGWRV-HNNXBMFYSA-N 428.373 3.649 0 40 IHAB O=C(OCCN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccc(F)cc1 8670281 FRHLLHACUPDBPI-UHFFFAOYSA-N 431.817 3.872 0 40 IHAB C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CCC(=O)c2ccc3c(c2)CCCC3)C1=O 8736003 MYZDKPZWQHVJGZ-AREMUKBSSA-N 447.535 3.503 0 40 IHAB Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(OC(C)C)cc2)CS(=O)(=O)C3)cc1C 8882434 NFXCBIMLDXVQEF-UHFFFAOYSA-N 439.537 3.957 0 40 IHAB CN(C1CC1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cc4ccccc4o3)o2)cc1 9170228 MECXGWFGGRIZAO-UHFFFAOYSA-N 438.465 3.518 0 40 IHAB CCn1c(CSc2ccc3c(c2)OCCCO3)nc2cc(S(=O)(=O)N(C)C)ccc21 9245318 LYEVWWBKKSGQMH-UHFFFAOYSA-N 447.582 3.760 0 40 IHAB CCOCc1c(C(=O)OCC(=O)Nc2ccccc2C(=O)NC2CC2)oc2ccccc12 9284212 YTNUBAUOTFRRTB-UHFFFAOYSA-N 436.464 3.657 0 40 IHAB COc1ccc(NC(=O)CSCCN2c3cccc4cccc(c34)S2(=O)=O)cc1 9349557 PPMDZISPNXHPQF-UHFFFAOYSA-N 428.535 3.729 0 40 IHAB Cc1cccc(N2CCN(C(=O)CSc3nnc(-c4ccncc4)n3C3CC3)CC2)c1C 9415113 UXKQGUUCDQVQIH-UHFFFAOYSA-N 448.596 3.733 0 40 IHAB CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1 9445825 DKMLIUITGDBDJR-UHFFFAOYSA-N 430.555 3.878 0 40 IHAB COc1cc(-c2ccc(=O)n(CC(=O)Nc3ccc(C)c(Cl)c3)n2)cc(OC)c1OC 10220829 MMATUUYPGYQLLQ-UHFFFAOYSA-N 443.887 3.537 0 40 IHAB O=C(Nc1ccccc1OC(F)F)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 10272039 FDSKUPDIUCJQSY-UHFFFAOYSA-N 430.860 3.978 0 40 IHAB COc1cccc(C(=O)N2CCN(c3ccc(-c4ccc(C)c(C)c4)nn3)CC2)c1OC 11695290 DUEONOFYVOXTIJ-UHFFFAOYSA-N 432.524 3.740 0 40 IHAB O=S(=O)(c1ccc(Cl)s1)N1CCC(O)(Cn2ccc3nc(Cl)ccc32)CC1 12182274 RARDXAUZQLCCOJ-UHFFFAOYSA-N 446.381 3.620 0 40 IHAB C[C@@H]1C[C@@H](C)CN(C(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)C1 12815673 YOUIJQJVYXDGSP-ZIAGYGMSSA-N 433.401 3.899 0 40 IHAB COc1ccc(NC(C)=O)cc1S(=O)(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 12855425 PZEBEKILYVVXEF-FQEVSTJZSA-N 434.514 3.922 0 40 IHAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccc(I)cc1 13012080 ZQKYUQZEIMRRHG-ZDUSSCGKSA-N 432.265 3.705 0 40 IHAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(CCOc2ccccc2Cl)CC1 13039309 BYHPXVZHBFCAHD-UHFFFAOYSA-N 448.894 3.744 0 40 IHAB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)c1 13040083 UQHBLQNNGMIWAM-UHFFFAOYSA-N 427.551 3.801 0 40 IHAB CC1CCN(C(=O)COc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2Cl)CC1 13843088 QNNNCPCHSFPOJX-UHFFFAOYSA-N 448.972 3.729 0 40 IHAB COc1ccc([C@@H](CNC(=O)COc2cc(Cl)ccc2Cl)N2CCOCC2)cc1 14198349 ISMUFESRSQYMLO-LJQANCHMSA-N 439.339 3.571 0 40 IHAB CC(C)(C)C1CCC2(CC1)NC(=O)N(CN1CCC[C@@H](C(=O)Nc3ccccc3)C1)C2=O 14254036 LYMFEOTYEZFKAH-VLNJMECTSA-N 440.588 3.822 0 40 IHAB COc1ccc(N(CC(=O)N2CCc3sccc3C2)S(=O)(=O)c2ccccc2)cc1 14302643 ISEIYUZTYDSYNN-UHFFFAOYSA-N 442.562 3.537 0 40 IHAB O=C(C[C@@H]1CCNC[C@@H]1Cc1cc(CSc2ccccc2)on1)NCc1cccnc1 15673513 RSQIYHNQIDDDAF-PMACEKPBSA-N 436.581 3.837 0 40 IHAB biogenic,in-vitro C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3COc4ccccc4C3)cc2)C1 16963268 SQIFQHSNJXFXQG-SCTDSRPQSA-N 428.554 3.543 0 40 IHAB CCCCOc1ccc(C(=O)Nc2nc3ccc(S(=O)(=O)N(C)C)cc3s2)cc1 17270920 MJWHDHRPWGTUOK-UHFFFAOYSA-N 433.555 3.978 0 40 IHAB O=C(CC1CCCCC1)N1CCc2nc([C@H]3CCCN3C(=O)C3CCCC3)nc(O)c2C1 19014758 DKIBCHPTIQDQNO-OAQYLSRUSA-N 440.588 3.891 0 40 IHAB COc1ccc(CC(=O)N2CCC[C@@H]2c2nc(N(C)C)ncc2-c2ccncc2C)cc1F 19239831 XQBBOVUZCBVPGD-OAQYLSRUSA-N 449.530 3.967 0 40 IHAB COc1ccc(OC)c(CN2CCNC(=O)[C@@H](Cc3ccccc3-c3cccnc3)C2)c1 19551613 OFPGFGXLTKDYMV-QFIPXVFZSA-N 431.536 3.557 0 40 IHAB Cc1nc([C@@H]2CCCN(C(=O)CCCn3ccnc3C)C2)nc2c1CCCN2CC1CC1 19706931 YZNRLCPOKAERKD-OAQYLSRUSA-N 436.604 3.639 0 40 IHAB CNC(=O)c1cc([C@@H]2CN(C(=O)c3ccc4oc(C)cc4c3)CCO2)nc2ccccc12 19762512 TWRZLUVKHBKMMI-QHCPKHFHSA-N 429.476 3.863 0 40 IHAB CCCCCCOc1ccc(/C=c2/sc3nc(-c4ccncc4)nn3c2=O)cc1OC 19807945 WZAJVUOUSRJKON-HMMYKYKNSA-N 436.537 3.728 0 40 IHAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc(Cl)c2)N1CCCN1CCOCC1 20219619 RAZQWDWTVSGIHY-OAQYLSRUSA-N 438.911 3.714 0 40 IHAB COc1ccc(CC[C@@]2(C)NC(=O)N(Cc3cc(=O)oc4cc5c(cc34)CCC5)C2=O)cc1 21719925 WAXDLJYCORKNJE-AREMUKBSSA-N 446.503 3.734 0 40 IHAB CCCC[C@H](CC)CNC(=O)CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2 22993407 CLNQCEPIUKBPHZ-SFHVURJKSA-N 440.606 3.629 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(-c3nnco3)c2)c1 23075234 WHCFBDIZWUDNGA-UHFFFAOYSA-N 434.905 3.673 0 40 IHAB COc1ccc(-c2csc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)n2)cc1OC 23081043 MLVXXRYKQLOFAF-UHFFFAOYSA-N 437.477 3.733 0 40 IHAB Cc1cccc2c(=O)n(CCC(=O)NC[C@H](c3cccs3)N3CCC(C)CC3)cnc12 27575328 SMRNGJJOTBVSLE-HXUWFJFHSA-N 438.597 3.746 0 40 IHAB CCOc1cc(Br)c(CN2C(=O)N[C@](C)(c3ccco3)C2=O)cc1OCC 30343506 UNCCEIIQPRMBDY-LJQANCHMSA-N 437.290 3.807 0 40 IHAB C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)NCc1ccc(C(F)(F)F)cc1 30586819 UGXQBCUWMPYXPH-QFIPXVFZSA-N 445.441 3.711 0 40 IHAB Cc1ccc(C(=O)NCc2ccccc2-n2ccnc2)cc1S(=O)(=O)Nc1ccccc1 30754771 AWOGAYYHBLROPX-UHFFFAOYSA-N 446.532 3.912 0 40 IHAB O=C(Nc1ccc(Br)cc1Br)[C@H]1CCCN(c2cnccn2)C1 32777398 JSUUJPCXENHRGW-NSHDSACASA-N 440.139 3.857 0 40 IHAB O=C(NCCc1cccc2cccnc12)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 39547995 UPVYUWLLEYIKLK-UHFFFAOYSA-N 443.956 3.645 0 40 IHAB O=C(Nc1cc(Cl)ccc1N1CCOCC1)N1CCN(CCc2ccccc2)CC1 48361936 RSUSRCHFHATURO-UHFFFAOYSA-N 428.964 3.569 0 40 IHAB CC(=O)Nc1ccc(NC(=O)Cn2ccc3ccn(Cc4cccc(F)c4)c3c2=O)cc1 49409747 UMDCDBXDWXAOQM-UHFFFAOYSA-N 432.455 3.588 0 40 IHAB CC[C@@H]1CCCCN1C(=O)Cn1c(=O)n(Cc2cccc(Cl)c2)c(=O)c2ccccc21 57472871 MWVPPISWRMKZRY-LJQANCHMSA-N 439.943 3.656 0 40 IHAB O=C(Cn1c(=O)n(CCc2cccs2)c(=O)c2sccc21)Nc1ccc(Cl)cc1 57493968 ZCHBIBLZKKCDIK-UHFFFAOYSA-N 445.953 3.821 0 40 IHAB O=S(=O)(NCc1ccc(Cn2ccnc2)cc1)c1ccc(Br)cc1Cl 69367134 QZNXYQKRXZUCGH-UHFFFAOYSA-N 440.750 3.826 0 40 IHAB CCOc1ccccc1NC(=O)CN1CCc2nc(NC(=O)c3cccs3)sc2C1 70638649 PTFUJSPLWGAEOK-UHFFFAOYSA-N 442.566 3.852 0 40 IHAB COc1ccccc1[C@@H](CNC(=O)[C@H]1CCCN1C(=O)C1CCCCC1)N1CCCCC1 72272712 YWKJMAUFUWKFFU-DHIUTWEWSA-N 441.616 3.910 0 40 IHAB Cc1cc(Cc2cccc(C(F)(F)F)c2)cc([C@H]2CCCN(S(=O)(=O)N(C)C)C2)n1 72353887 IBLOOGRNUAXHLM-SFHVURJKSA-N 441.519 3.985 0 40 IHAB COc1ccc(Cc2cc(C)nc([C@@H]3CCCN(CC(=O)NCc4ccccn4)C3)c2)cc1 72353962 ZRTJPGSXJPWUTH-HSZRJFAPSA-N 444.579 3.880 0 40 IHAB CN(C)[C@H](CNS(=O)(=O)c1ccc(Br)s1)c1cn(C)c2ccccc12 77171697 KOHXHKGAOLNALP-OAHLLOKOSA-N 442.404 3.584 0 40 IHAB O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CCO2 84490116 YNZWLLYOPGWACX-KRWDZBQOSA-N 441.336 3.720 0 40 IHAB COC(=O)c1ccc(OC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 89637196 ATWNWKXTVGMDNC-UHFFFAOYSA-N 439.489 3.826 0 40 IHAB COc1ccccc1Cn1cc(C(=O)Nc2n[nH]c(CC(C)C)n2)c2ccccc2c1=O 96117456 OUGHYOQDPOIRBZ-UHFFFAOYSA-N 431.496 3.627 0 40 IHAB CCc1c(C)nc2cc(C3CCN(C(=O)c4coc(CN(CC)CC)c4)CC3)nn2c1O 100137557 SVAYYHGLUHYRNW-UHFFFAOYSA-N 439.560 3.760 0 40 IHAB Cc1ccc(C(=O)COC(=O)CCCCCN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1C 102085157 KIVITEINDQYDED-XWOBKLQRSA-N 449.547 3.643 0 40 IHAB O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)[C@H]1CC[C@@H](C(F)(F)F)NC1=O 105955458 FWUZAUVTECNSJM-HLIPFELVSA-N 429.442 3.873 0 40 IHAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)OC)C2=O)ccc1OCc1ccccc1 205747000 PRQZDTKENFAEOS-XDHOZWIPSA-N 427.478 3.874 0 40 IHAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1nc(-c2ccc(OC)cc2OC)no1 219325724 SBYQBBPTXKPRCM-QGZVFWFLSA-N 431.876 3.881 0 40 IHAB CC[C@@H](C(=O)Nc1cc(OC)c(Cl)cc1OC)N(c1cccc(C)c1)S(C)(=O)=O 220512324 VPEOWSDBXLJDPO-KRWDZBQOSA-N 440.949 3.849 0 40 IHAB CC[C@@H](C(=O)N1CCCc2ccccc21)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 220751241 UFTUBZVUPONFMH-SFHVURJKSA-N 436.961 3.873 0 40 IHAB CCc1ccc(N(CCCC(=O)NCCCc2cccc(OC)c2)S(C)(=O)=O)cc1 222646912 WWHYJFCXBXOPRL-UHFFFAOYSA-N 432.586 3.553 0 40 IHAB COc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1S(=O)(=O)NC1CCCCC1 223041125 WEPIWWWRSJUBAJ-HNNXBMFYSA-N 434.533 3.936 0 40 IHAB CS(=O)(=O)N(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Cc1ccccc1F 223088462 BRXXTHHFAPNKMD-UHFFFAOYSA-N 438.830 3.898 0 40 IHAB CN(CC(=O)NCCCc1cccc2ccccc12)S(=O)(=O)c1ccc(Cl)cc1 223161233 MTBWDDAQKSLYLK-UHFFFAOYSA-N 430.957 3.863 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)Nc1cc(C)ccc1OC 224201167 GUVODFMTERNLIU-UHFFFAOYSA-N 446.569 3.758 0 40 IHAB CNS(=O)(=O)c1cccc(C(=O)NCCSCc2ccc(Cl)cc2Cl)c1 225408196 WQMZFRSKOSSBRS-UHFFFAOYSA-N 433.382 3.565 0 40 IHAB CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(C)c1 225560698 DVKUDOHQGWDAIV-DHIUTWEWSA-N 433.581 3.984 0 40 IHAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1N1C(=O)CCC1=O 225776182 MVXFBEHBPSLEHS-OAHLLOKOSA-N 444.553 3.686 0 40 IHAB O=C1NCCN(C(=O)c2cc3c(s2)CCCC3)[C@H]1Cc1ccc(-c2ccncc2)cc1 257241181 HWYXXGORJPYYCN-NRFANRHFSA-N 431.561 3.872 0 40 IHAB COc1ccc2c(c1)OC(C)(C)[C@H]1C[C@@H]3CN(C(=O)CCCc4cn[nH]c4)CC[C@@H]3O[C@H]21 257295756 QZRYIUSAQGBRNW-OTXOCUIESA-N 439.556 3.907 0 40 IHAB COc1ccc(Nc2ncccc2C(=O)N2CCN(C(C)=O)C[C@@H]2c2ccccc2)cc1 257312276 UNEFJWCIJOXZFQ-HSZRJFAPSA-N 430.508 3.879 0 40 IHAB COc1cccc(-c2ccc3nc([C@@H]4CCCN(C(=O)c5ccccn5)C4)nn3c2)c1OC 306131910 KSPSSMSJQPAUIB-GOSISDBHSA-N 443.507 3.828 0 40 IHAB Cc1nc(CN2CC[C@@]3(CN(Cc4ccco4)C[C@@H]3c3cn(C(C)C)cn3)C2=O)cs1 306145172 ZZYUBXUSCVRKCT-OFNKIYASSA-N 439.585 3.840 0 40 IHAB CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)NCc1ccccc1 408719533 FPGDJNZXYLDLNS-FQEVSTJZSA-N 426.513 3.720 0 40 IHAB Cc1ccc(Cl)c(OC[C@@]2(O)CCCN(CC(=O)NCc3cccc(F)c3)CC2)c1 585274640 XXERSDXAHFYAEE-HSZRJFAPSA-N 434.939 3.700 0 40 IHAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)c2ccc(Cn3cc(Br)cn3)s2)C1 1540934933 OVYFGBZZALAPFH-GASCZTMLSA-N 439.423 3.853 0 40 IHAB C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)C1=O 3595003 YOVAKIDFEUXRFV-PGRDOPGGSA-N 446.334 3.954 0 40 IHAB CCCCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(OC)c(OC)c1)C(C(=O)OC)=C(C)N2 8768860 UJCJUCNMJHWHKN-QGZVFWFLSA-N 445.541 3.684 0 40 IHAB COc1cccc(CNC(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@H]3c4ccccc4C(=O)N23)c1 8790678 RZAYGALATYLSJC-UKILVPOCSA-N 437.499 3.963 0 40 IHAB biogenic CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2cc(Cl)ccc2OC)C1=O 9125168 OMSFUPRVZNHDME-HXUWFJFHSA-N 436.295 3.798 0 40 IHAB CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(CC)C(=O)C(C)(C)CO3)cc1C 9170755 XPSAOPRCBFBGJJ-UHFFFAOYSA-N 432.542 3.966 0 40 IHAB CCOc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCO)cc1OCC 9409211 GXHPGGDLIUDGQD-HSZRJFAPSA-N 437.496 3.507 0 40 IHAB CCCN1C(SCc2cc(C(=O)OC)ccc2OC)=NS(=O)(=O)c2ccccc21 9530289 VFZORMPSJHMTMC-UHFFFAOYSA-N 434.539 3.690 0 40 IHAB COc1ccc(S(=O)(=O)NC[C@@H](c2cccs2)N2CCc3ccccc32)cc1OC 9708242 ZEHWZVFNEZCSRA-IBGZPJMESA-N 444.578 3.848 0 40 IHAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)NCCC2=CCCCC2)cc1 10077672 GEIIVKRNQBQOBY-UHFFFAOYSA-N 442.581 3.893 0 40 IHAB Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(Cl)cc2)cc1 10128252 UUBPGAWMXIICGV-QFIPXVFZSA-N 442.968 3.854 0 40 IHAB COc1ccc(OC)c2sc(N3CCN(C(=O)c4ccc5ncsc5c4)CC3)nc12 10166339 HQPPDHKFFSNNBO-UHFFFAOYSA-N 440.550 3.886 0 40 IHAB CCOC(=O)c1c(NC(=O)COC(=O)COc2ccccc2Cl)sc2c1CCC2 10361839 FHHMZHQWANRFQA-UHFFFAOYSA-N 437.901 3.628 0 40 IHAB CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)S(=O)(=O)c1c(C)cc(C)cc1C 10537172 FTSAOYPAYDRAKQ-UHFFFAOYSA-N 445.541 3.890 0 40 IHAB CCOC(=O)c1c(C)[nH]c(C(=O)Nc2nc3ccccc3n2CCN(CC)CC)c1C 11555144 FWXFPEDJFOYDET-UHFFFAOYSA-N 425.533 3.752 0 40 IHAB O=C(c1ccc(F)cc1)N1CCC[C@H](c2nc(N3CCOCC3)ncc2-c2cccnc2)C1 12089365 BYATWWUZZQTGNC-FQEVSTJZSA-N 447.514 3.534 0 40 IHAB COc1ccccc1NC(=O)Cn1nc(C(C)C)c2cnn(-c3ccc(C)c(C)c3)c2c1=O 12229147 BRZJOBXKGCVHKW-UHFFFAOYSA-N 445.523 3.970 0 40 IHAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cc2cc(OC)c(OC)c(OC)c2n1C)CC3 12296540 PVUJUHBRSUWFPO-UHFFFAOYSA-N 449.507 3.893 0 40 IHAB biogenic Cc1cc(S(=O)(=O)Nc2ccc(C(=O)NCC3(N(C)C)CCCCC3)cc2)ccc1F 12536015 BLFZLZAPOFPDKJ-UHFFFAOYSA-N 447.576 3.929 0 40 IHAB COc1ccccc1CNC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 12775121 REESEAKIUREDBR-UHFFFAOYSA-N 431.330 3.626 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1csc(COc2ccc(F)cc2)n1 12822303 IRHOMPIDEMMHSO-UHFFFAOYSA-N 449.529 3.672 0 40 IHAB Cc1ccc(Cl)c(NC(=O)CN(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)c1Cl 12877358 JNSMGJYHKXQXBB-ZDUSSCGKSA-N 431.341 3.523 0 40 IHAB COC(=O)C1(NC(=O)c2cc(Br)c(Br)s2)CCCCC1 13001714 LGGRFYDYGGVEPU-UHFFFAOYSA-N 425.142 3.879 0 40 IHAB Cc1cc(C(=O)N(C)C[C@H]2COc3ccccc3O2)c2cnn(Cc3cccs3)c2n1 13007597 ICGCXPLDJXEAOG-INIZCTEOSA-N 434.521 3.762 0 40 IHAB CCOc1cc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc(OCC)c1OCC 13231600 HOUUMUYLXCVWTB-UHFFFAOYSA-N 448.541 3.675 0 40 IHAB COCCn1nnnc1[C@H](C(C)C)N(Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 13498598 ARBABSUVOBILMB-QFIPXVFZSA-N 438.576 3.611 0 40 IHAB 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CCOc1cc(/C=C2/NC(=O)NC2=O)c(Br)cc1OCc1ccc(F)cc1 409041501 AKJFIMWSHKQNPN-VIZOYTHASA-N 435.249 3.746 0 40 IHAB COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)NCC1(c2ccc(F)cc2)CC1 500074769 NARRJXBLHOVICS-LJQANCHMSA-N 430.907 3.940 0 40 IHAB O=S1(=O)CC[C@@H](N(CCNCc2cccc(Cl)c2)Cc2ccc(Cl)cc2)C1 575421392 PZQXPLIHRWFUPJ-HXUWFJFHSA-N 427.397 3.772 0 40 IHAB CCn1c(CNc2ccc(F)cc2)nnc1SCC(=O)Nc1ccc(C(=O)OC)cc1 873155 SBWFXTJESKMYOC-UHFFFAOYSA-N 443.504 3.567 0 40 IHAB Cc1ccc(N2C(=O)[C@](NC(=O)c3ccc(Cl)cc3)(C(F)(F)F)N=C2O)cc1C 2264490 VZPBVPGWLMJGJU-GOSISDBHSA-N 425.794 3.906 0 40 IHAB CCc1ccc(NC(=O)CN2C(=O)N[C@@](Cc3ccccc3)(c3ccccc3)C2=O)cc1 2645290 JPRHCIXTRIAVSY-SANMLTNESA-N 427.504 3.878 0 40 IHAB CC(C)(C)C(=O)N[C@H](n1cnc2c(N3CCCCC3)ncnc21)C(Cl)(Cl)Cl 3029952 NMLZMOWCJXYORO-CQSZACIVSA-N 433.771 3.848 0 40 IHAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)NCCc2ccc(Cl)cc2Cl)C1=O 3392117 XNKUFQGHYGLVDU-OAQYLSRUSA-N 434.323 3.509 0 40 IHAB CCOC(=O)c1c(NC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)sc(CC)c1C 3423618 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CC(=O)c1cc2c(cc1NC(=O)CCCN1C(=O)c3cccc4cccc(c34)C1=O)OCO2 9594461 KNCJSFPWLDLXHW-UHFFFAOYSA-N 444.443 3.786 0 40 IHAB O=C(CSc1nnc(-c2cccs2)n1C1CC1)N1CCN(c2ccc(F)cc2)CC1 9782821 DOCKUQVIBVUXAH-UHFFFAOYSA-N 443.573 3.922 0 40 IHAB Cc1ccc(-c2cnc(CCC(=O)O[C@H](C(=O)N3CCOCC3)c3ccccc3)o2)cc1 11646458 XDDJYEFKAXXSPM-DEOSSOPVSA-N 434.492 3.726 0 40 IHAB O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)Nc1nc2cc3c(cc2s1)OCCO3 11752010 RQPCXXUQLHWUPF-UHFFFAOYSA-N 438.292 3.743 0 40 IHAB COc1ccc2c(c1)N[C@@]1(CCCN(C(=O)Cn3cnc4ccccc43)C1)c1cccn1-2 12117309 NZHMYQUDMJVWKE-RUZDIDTESA-N 427.508 3.779 0 40 IHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@H](C)O[C@@H](C)C2)c1 12579606 OPCDBQOPTYQRAK-HOTGVXAUSA-N 436.961 3.805 0 40 IHAB COc1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1F 12766943 WVSRVEGNEANKEB-UHFFFAOYSA-N 434.533 3.527 0 40 IHAB Cc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)cc1 12786599 SEUYPDVFVZDRJC-CALCHBBNSA-N 434.583 3.524 0 40 IHAB COc1cc(OC)c(OC)cc1/C=C/C(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 12800972 YSNKKXBCHBQTBO-KOEDOTQGSA-N 425.481 3.861 0 40 IHAB COC(=O)C1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)CC1 12811893 DDMZQWNRQGWPHQ-UHFFFAOYSA-N 449.507 3.582 0 40 IHAB CCOc1ccc(S(=O)(=O)NCCC(=O)N[C@@H](C)c2cccc3ccccc23)cc1 12820883 IHYBSAQNOGRGBI-KRWDZBQOSA-N 426.538 3.784 0 40 IHAB CCN(C1CCCCC1)S(=O)(=O)c1ccc(S(=O)(=O)NC2CCC(C)CC2)cc1 12880784 DLOJFKNRSKVPCY-UHFFFAOYSA-N 442.647 3.887 0 40 IHAB Cc1ccc(NC(=O)Cn2nc(C)c(S(=O)(=O)N3CCC(C)CC3)c2C)cc1Cl 12902706 FMXOJJHQOJDYHG-UHFFFAOYSA-N 438.981 3.521 0 40 IHAB Cc1cc(C)c(NC(=O)CN(C)C(=O)c2nc(C)n(-c3ccc(Cl)cc3)n2)c(C)c1 12930008 WOPBQOYMQVGUHJ-UHFFFAOYSA-N 425.920 3.865 0 40 IHAB Cc1sc2nc([C@@H]3S[C@](c4ccccc4)(C(F)(F)F)NC3=O)[nH]c(=O)c2c1C 12946251 HAMZKWOORWGIQF-YVEFUNNKSA-N 425.457 3.921 0 40 IHAB Cc1cc(C)c(NC(=O)CN(C)C(=O)CCn2c(=O)oc3cc(Cl)ccc32)c(C)c1 12979480 AQBNCLALSVFCQV-UHFFFAOYSA-N 429.904 3.660 0 40 IHAB CC(C)CC[C@H](C)NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br 13001515 ACNQZFFYOBYCSN-AWEZNQCLSA-N 431.396 3.788 0 40 IHAB CC(=O)c1cccc(OC[C@H](O)Cn2cnc3cc(-c4ccc(F)cc4)sc3c2=O)c1 13009003 JFENBYSQZDOBFI-GOSISDBHSA-N 438.480 3.907 0 40 IHAB CCc1nnc(NC(=O)CSc2nnc(-c3ccc(O)cc3)n2-c2ccccc2)s1 13123838 GBPPUQZKFQSWKU-UHFFFAOYSA-N 438.538 3.785 0 40 IHAB CCOc1ccc(S(=O)(=O)NCc2ccncc2)cc1NC(=O)c1cccc(Cl)c1 13566393 PDBIEXDTWOJFGD-UHFFFAOYSA-N 445.928 3.865 0 40 IHAB C[C@H](C(=O)N1CCC(Cc2ccccc2)CC1)N(c1ccc(Cl)cc1)S(C)(=O)=O 14154567 YFXGSSRJVAWGGX-QGZVFWFLSA-N 434.989 3.976 0 40 IHAB Cc1ccccc1-c1noc([C@@H]2CN(C(=O)CCn3nc(C(F)(F)F)cc3C)CCO2)n1 19237489 RWEMHXLUQSTVGN-INIZCTEOSA-N 449.433 3.559 0 40 IHAB CCOc1ncccc1C(=O)N1CCCC[C@H]1c1nc(N(C)C)ncc1-c1ccncc1 19531454 ZUOIGERDEMIXKZ-FQEVSTJZSA-N 432.528 3.766 0 40 IHAB CN(C)C(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)c2cnccn2)C1 19579448 YAXXBASNHFMJPF-XMMPIXPASA-N 434.565 3.758 0 40 IHAB O=C(Cn1cc(C(=O)Nc2ccc(F)cc2)ccc1=O)Nc1nc2c(s1)CCCCC2 19751586 HGOYSOUQBHOKJB-UHFFFAOYSA-N 440.500 3.604 0 40 IHAB COc1c(Cl)cc(C(=O)O)cc1NC(=O)c1ccc(I)cc1 20138329 ZHDQLHLFAILIBG-UHFFFAOYSA-N 431.613 3.904 0 40 IHAB O=C(Cn1ccc2cc(Br)ccc21)Nc1ccc(CN2CCOCC2)cc1 20729643 LRJRIAAQABMMJZ-UHFFFAOYSA-N 428.330 3.875 0 40 IHAB O=C(CSc1nnc(Cn2nnc3ccccc32)n1-c1ccccc1)NC1CCCCC1 20831544 QCVQUADFLUJELK-UHFFFAOYSA-N 447.568 3.601 0 40 IHAB Cc1nn(-c2ccccc2Cl)c2sc(C(=O)OCC(=O)NC[C@H]3CCCO3)cc12 20969414 QVJDWVJGJZIVEN-CYBMUJFWSA-N 433.917 3.501 0 40 IHAB CCc1ccc(Cn2nccc2NC(=O)c2cc(C)c(C)c(S(=O)(=O)N(C)C)c2)cc1 21599781 JUIURYORLRKCOX-UHFFFAOYSA-N 440.569 3.613 0 40 IHAB Cc1ccc(-c2cc(C(=O)N(Cc3ccc(F)cc3)[C@H]3CCS(=O)(=O)C3)no2)cc1C 21786460 UTYXFSGCSWKEMB-FQEVSTJZSA-N 442.512 3.927 0 40 IHAB COCCn1c(Sc2ccc3nnc(C(F)(F)F)n3n2)nc2cc(Cl)ccc21 22006087 SOXCXEZRXQOVFR-UHFFFAOYSA-N 428.827 3.944 0 40 IHAB CC(C)CC(=O)Nc1ccc(C(=O)Cn2nnc(-c3ccc(Br)cc3)n2)cc1 23074326 VVXJGUQAPZGLTN-UHFFFAOYSA-N 442.317 3.970 0 40 IHAB CCCN(CC(=O)Nc1ccccc1OC)S(=O)(=O)c1ccccc1OC(F)(F)F 23395366 MHOPQJMWYUZWHO-UHFFFAOYSA-N 446.447 3.633 0 40 IHAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H](C)c2cccc3ccccc23)C1 23434036 MPKAVTDFKIZZPP-HNAYVOBHSA-N 441.553 3.723 0 40 IHAB COc1ccc([C@@H](CNC(=O)CCc2c(C)nc3cc(C)nn3c2C)N2CCCC2)cc1 23487394 KSFVRWGSJMRGCC-HSZRJFAPSA-N 435.572 3.549 0 40 IHAB C[C@H](NC(=O)CSc1nnc2c(Cl)cc(Cl)cn12)c1ccc2c(c1)OCO2 23565079 YTMDZORGXRSVQK-VIFPVBQESA-N 425.297 3.734 0 40 IHAB O=C(Cn1cnc2ccc(Cl)cc2c1=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 24195241 WFQRMASGXJQIGI-LJQANCHMSA-N 439.899 3.575 0 40 IHAB COc1ccc(F)cc1CN1CCN(C(=O)c2cc(Br)ccc2F)CC1 24387117 SUDWTCLWCUGEHK-UHFFFAOYSA-N 425.273 3.694 0 40 IHAB O=C(COC(=O)c1ccccc1CSC1=NCCS1)NCCCc1ccccc1 24876632 ZTPBLBYOIQYPBR-UHFFFAOYSA-N 428.579 3.928 0 40 IHAB CCC(=O)c1ccc(OC[C@H](O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 25058940 SWTMMSCGYFUGHR-OAQYLSRUSA-N 439.533 3.915 0 40 IHAB CCCOc1ccc(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1OC 25919515 IYTQDKJOVCSHLT-UHFFFAOYSA-N 439.508 3.990 0 40 IHAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccccc1NS(=O)(=O)c1cccs1 28439157 MJDJHXIPBLMBGH-UHFFFAOYSA-N 430.507 3.550 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCc4[nH]c5ccccc5c4C3)C2)s1 28775354 INEVWZLXMJXHHC-MRXNPFEDSA-N 443.594 3.523 0 40 IHAB C[C@@H](c1nc(C(C)(C)C)no1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 30592591 HBTFRPLUXLZSAR-LBPRGKRZSA-N 447.388 3.741 0 40 IHAB O=C(Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)c1ccc(I)cc1 32809407 RKTJCXZZSPTKRV-INIZCTEOSA-N 436.249 3.661 0 40 IHAB CCc1cc2oc(=O)cc(COC(=O)CCn3cnc4sccc4c3=O)c2cc1Cl 32885471 OKQHXIDKNUDQLZ-UHFFFAOYSA-N 444.896 3.914 0 40 IHAB O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCC[C@@H]1c1ccc(F)cc1 32901542 QGHWFQAUHBMIHQ-JOCHJYFZSA-N 430.545 3.907 0 40 IHAB Cc1cc(N2CCC(C(=O)NCC(c3ccccc3)c3ccccc3)CC2)n2ncnc2n1 35311994 PNBNGISVAIUNNU-UHFFFAOYSA-N 440.551 3.597 0 40 IHAB CCc1cccc(NC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccc(C)cc3)c2=O)c1 35396726 MGMXHCXNJKVYBG-UHFFFAOYSA-N 438.549 3.807 0 40 IHAB CCOc1ccc(C2=NC(=O)[C@H](CC(=O)Nc3cccc(C(C)=O)c3)S2)cc1OC 35685020 FNNLZPBARDTBRJ-IBGZPJMESA-N 426.494 3.714 0 40 IHAB Cc1cc(N2C[C@@H](C(=O)N3CCC[C@H]3c3ccncc3)CC2=O)ccc1Br 36394294 SCCOPEOHSFIWMZ-LPHOPBHVSA-N 428.330 3.869 0 40 IHAB CCn1cc([C@H](C)NC(=O)c2cc(-c3cccc(OC)c3)nc3c2c(C)nn3C)c(C)n1 36616385 JFBJAXJOJSHFHS-AWEZNQCLSA-N 432.528 3.968 0 40 IHAB O=S(=O)(NCCCCN1CCO[C@@H](c2ccccc2)C1)c1ccc(F)c(Cl)c1 36700370 RXABJXDCXNPMJW-HXUWFJFHSA-N 426.941 3.611 0 40 IHAB Cc1ccc(NC(=O)Cn2nc3c4cc(-c5ccc(Cl)cc5)nn4ccn3c2=O)cc1C 38652217 ZRHYFTJLYIQAKB-UHFFFAOYSA-N 446.898 3.720 0 40 IHAB COc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2C)cc1 44899806 ACDMSNDJAHZWET-SFHVURJKSA-N 430.570 3.915 0 40 IHAB Cc1cc(Br)c(O)c(C(=O)NCc2ccc(Cn3ccccc3=O)cc2)c1 65476579 HGFXSRATRWRFSU-UHFFFAOYSA-N 427.298 3.603 0 40 IHAB CCc1cccc(C)c1NC(=O)Cn1cnc2c(-c3cccc(OC)c3)cn(C)c2c1=O 67235564 LXEVNXRJDPPRJH-UHFFFAOYSA-N 430.508 3.920 0 40 IHAB Cc1cccc(NC(=O)Cn2c(-c3cccc(Cl)c3)nc(C)c(CCO)c2=O)c1C 67301723 QUIQKNRSGZHBHS-UHFFFAOYSA-N 425.916 3.662 0 40 IHAB O=C(Nc1nccs1)c1cc([C@H]2CCN(C(=O)Cc3ccncc3)C2)nc2ccccc12 72356124 PVIDZSQSYZDQOJ-KRWDZBQOSA-N 443.532 3.897 0 40 IHAB Cc1ccc(-n2nnc(C(=O)N3CCO[C@@H](c4ccc(Br)cc4)C3)c2C)cc1 84174830 QWHZJCRHUQKERF-LJQANCHMSA-N 441.329 3.860 0 40 IHAB O=C(Cc1ccc(Br)cc1)N1CC[C@@H](S(=O)(=O)c2ccc(Cl)cc2)C1 96103483 ZGNGZEMHLANXDE-QGZVFWFLSA-N 442.762 3.720 0 40 IHAB COC(=O)C[C@@H](c1c(O)n[nH]c1Cc1cc(F)c(F)cc1F)c1cccc2nccnc12 96232026 GMTCGHXUWOSKQB-CYBMUJFWSA-N 442.397 3.762 0 40 IHAB COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)ccc1O 100991000 KGEQGIAXPBGPBH-BDTNDASRSA-N 434.423 3.591 0 40 IHAB C[C@H]1CCC[C@H](C)N1C[C@@H](O)COc1ccc(OC[C@H](O)CN2[C@@H](C)CCC[C@@H]2C)cc1 101263547 ODYINPFMZIJYIN-RXOWOHSCSA-N 448.648 3.692 0 40 IHAB CCOc1ccc(NC(=O)C2CCC(N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@H]6C[C@H]56)[C@@H]4C3=O)CC2)cc1 101967353 RVGFAGRWRVUULT-WNKTZFIESA-N 434.536 3.636 0 40 IHAB CC(C)OC(=O)CCC/C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C\[C@@H](O)CCc1ccccc1 104849985 JGZRPRSJSQLFBO-HVKQUFGJSA-N 430.585 3.962 0 40 IHAB O=C(NCCSCc1cccc(Cl)c1)c1cccc(S(=O)(=O)N2CCCC2)c1 219974634 FMRFMADRILRSKD-UHFFFAOYSA-N 439.002 3.788 0 40 IHAB CCc1ccc(N([C@@H](C)C(=O)NCCCc2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1 220286422 FJVDVBWTLIUTFC-IBGZPJMESA-N 446.613 3.940 0 40 IHAB COc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCOc3ccc(C)cc3)c2)cc1 224044818 JCGKNHIWGJNXOU-UHFFFAOYSA-N 440.521 3.613 0 40 IHAB Cc1nc(N2CCOCC2)nc(C)c1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 224303541 ZKOCACVKVPBTRD-UHFFFAOYSA-N 440.525 3.523 0 40 IHAB CSc1ccc(S(=O)(=O)NCCOCc2ccccc2)cc1C(=O)N1CCCCC1 224321349 UOPLLEPZQPCXPW-UHFFFAOYSA-N 448.610 3.530 0 40 IHAB Cc1cccc(CS(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c1 224547267 ZQOJRSKNKWONAH-UHFFFAOYSA-N 434.514 3.877 0 40 IHAB COC(=O)c1cc(S(=O)(=O)NCCSCc2ccc(Cl)cc2)ccc1Cl 224718059 KDWUPDJGMABRMQ-UHFFFAOYSA-N 434.366 3.992 0 40 IHAB COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(C)[nH]1 225677409 DHPOJGVGQQBRQC-VXKWHMMOSA-N 435.553 3.728 0 40 IHAB Cc1cccc(N(CCCC(=O)Nc2nnc(SCC(C)C)s2)S(C)(=O)=O)c1 225806577 UOALXCXYKRNPKB-UHFFFAOYSA-N 442.632 3.780 0 40 IHAB Cc1cccc(-c2noc(CNC(=O)/C(=C/c3ccco3)NC(=O)c3ccccc3)n2)c1 225878011 FRXWWYRMLMFYNI-ZHZULCJRSA-N 428.448 3.725 0 40 IHAB CC(=O)N1CCC(C(=O)N2CCC[C@@](C)(c3ncc(Cc4ccccc4F)o3)C2)CC1 257215426 CQASOQVHANQKMU-XMMPIXPASA-N 427.520 3.543 0 40 IHAB CNc1nc(C)c(C(=O)N2CCO[C@@H](c3cc(Nc4ncccc4C)cc(C)n3)C2)s1 257221943 DRGCDPYJJVOYTG-GOSISDBHSA-N 438.557 3.857 0 40 IHAB O=C(C(c1ccccc1)c1ccccc1)N1CCOC[C@H](Cc2cn3ccnc3cn2)C1 257248977 JGBWVZNUVYUFJO-HXUWFJFHSA-N 426.520 3.579 0 40 IHAB CCc1nnc(Nc2cccc([C@@H]3CN(C(=O)Cc4ccc(C)c(C)c4)CCO3)n2)s1 257264433 LUJGUOFBIJHZNZ-IBGZPJMESA-N 437.569 3.999 0 40 IHAB Cc1nc([C@@H]2CCN(C(=O)COc3ccccc3)C2)nc2c1CCC(=O)N2CCC(C)C 257272005 NASDAKGAXKDYGC-LJQANCHMSA-N 436.556 3.505 0 40 IHAB Cc1ccc2c(c1)OC1(CCN(C(=O)CN3CCCCCC3=O)CC1)[C@H]1CCCO[C@H]21 257303854 SJALLKDIIMCCBW-GBXCKJPGSA-N 426.557 3.619 0 40 IHAB Cc1cc(Nc2cccc([C@@H]3CN(C(=O)CCOc4cccc(F)c4)CCO3)n2)no1 257330494 XORFYZDXESRCSH-IBGZPJMESA-N 426.448 3.630 0 40 IHAB CCc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)cc1 408656098 ILIPXIPSZLDACM-SFTDATJTSA-N 432.476 3.500 0 40 IHAB O=C(O)CCc1ccc2c(c1)CN(Cc1c(F)cccc1F)CC(=O)NCCCCCO2 643571570 DZELZGRFPZYOIY-UHFFFAOYSA-N 446.494 3.663 0 40 IHAB Cc1cc(C)n(-c2ccc(=O)n(C3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)n2)n1 1775970268 KCOGHSBMLBFRNB-UHFFFAOYSA-N 445.445 3.542 0 40 IHAB C[C@H]1CC[C@]2(OC1)O[C@@H]1C[C@@H]3[C@@H]4C[C@@H](O)[C@H]5C[C@@H](O)[C@@H](O)C[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]1[C@@H]2C 2049252020 FYRLHXNMINIDCB-NZXTXURHSA-N 448.644 3.735 0 40 IHAB CC(=O)Oc1ccc(N(C(C)=O)S(=O)(=O)c2ccc(Cl)cc2)cc1Br 822136 CERQWEFTXOUWJR-UHFFFAOYSA-N 446.706 3.770 0 40 IHAB Cc1ccc(C)c2[nH]c(=O)c(CN(CCCN3CCOCC3)C(=O)Nc3ccccc3)cc12 880324 NKDVNOCGFLSXRB-UHFFFAOYSA-N 448.567 3.901 0 40 IHAB Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCN5CCC[C@@H]5C4)cc3n2)cc1 998743 XLHRMMKTNCDVRQ-MRXNPFEDSA-N 429.446 3.644 0 40 IHAB O=C(NC1C2CC3CC(C2)CC1C3)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 1428367 UHZWAPLTYOXFIT-QRKVXACQSA-N 438.593 3.934 0 40 IHAB CCN(CC)c1ccc(NC(=O)COC(=O)[C@@]23CCC(=O)N2c2ccccc2S3)cc1 3363737 RGGSGZGFAUHMRW-QHCPKHFHSA-N 439.537 3.644 0 40 IHAB COc1ccc(NC(=S)N(CCCO)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1 4127418 PTBDMXHEWUMXFE-UHFFFAOYSA-N 425.554 3.735 0 40 IHAB CC(=O)Nc1ccccc1OS(=O)(=O)c1cc(Br)ccc1Br 6073868 KTOAOSYCUATONE-UHFFFAOYSA-N 449.120 3.938 0 40 IHAB CCOc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)Nc3ccc(C)cc3)cc2c1 6090230 YECZHRXDPPYKEU-UHFFFAOYSA-N 438.597 3.996 0 40 IHAB CCN(c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3)C2=O)cc1)C(C)C 8623267 GDJSCLKFBHRFPG-QHCPKHFHSA-N 442.947 3.980 0 40 IHAB CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2nc(O)c3cnn(-c4ccccc4)c3n2)cc1 8735909 VQPHSTBFMXPPJU-ZDUSSCGKSA-N 448.508 3.599 0 40 IHAB O=C(COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)Nc1ccccc1Cl 8799625 UFUXDQBWJMQKCR-UHFFFAOYSA-N 448.862 3.932 0 40 IHAB CCCCOc1ccc(OCCNC(=O)[C@H]2CC(=O)Nc3cc(OC)c(OC)cc32)cc1 8815930 KYXWRTFVYJULNV-IBGZPJMESA-N 442.512 3.504 0 40 IHAB CCn1nc(C(=O)OCC(=O)Nc2ccccc2-c2ccccc2)c2ccccc2c1=O 9112823 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C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)OCC(=O)NC2CCCCCC2)cc1 9689683 SHPGRRNXEKAVBL-OALUTQOASA-N 444.572 3.851 0 40 IHAB O=C(OCc1cc(Br)cc2c1O[C@@H](c1ccccc1)OC2)C1=COCCO1 9882976 HRMSJMHPWNBUPY-FQEVSTJZSA-N 433.254 3.988 0 40 IHAB COc1ccc(CN2N=N[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]32)cc1Br 9939834 UWXWQNWZHUYTQM-CVEARBPZSA-N 449.692 3.605 0 40 IHAB CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H]3c3ccccc3)CC2)c1 9956712 DGOVEKYOSWXSGN-QHCPKHFHSA-N 440.565 3.654 0 40 IHAB CCOC(=O)N1CCN(c2nc(C)c3c(n2)C[C@H](c2ccc(Cl)cc2)CC3=O)CC1 10076149 SFFVFDRIELVHKI-INIZCTEOSA-N 428.920 3.630 0 40 IHAB Cc1ccc(NC(=O)CSCC(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1 10343774 KODCCMLUXNKBDT-UHFFFAOYSA-N 433.961 3.795 0 40 IHAB C[C@@H](Sc1nnc(N2CCCC2)n1C[C@H]1CCCO1)C(=O)c1c[nH]c2ccccc12 10518762 ZCORIIACEFTUGM-HZPDHXFCSA-N 425.558 3.902 0 40 IHAB O=C(Nc1cccc(Cl)c1F)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 11221142 GCXFMRFWVDWJHW-UHFFFAOYSA-N 442.804 3.791 0 40 IHAB COc1ccc(-n2nnc3c(SCC(=O)Nc4ccc(Cl)cc4)ncnc32)cc1 11758659 FRLUHLQEXJCBDL-UHFFFAOYSA-N 426.889 3.603 0 40 IHAB COc1cccc(CC(=O)N2CCC(c3nc4cc(OC)c(OC)cc4cc3N)CC2)c1 12087937 IVCHFNVWBQYPOA-UHFFFAOYSA-N 435.524 3.792 0 40 IHAB COc1ccc(CN2CCN(c3c(F)cccc3[C@H](O)c3cccnc3)CC2)cc1OC 12089588 YWPRAGVWJGCDLI-RUZDIDTESA-N 437.515 3.642 0 40 IHAB Cc1cc(-c2cnc(N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)nc2-c2cccs2)on1 12154360 ZAUCBCONEHVFDH-CVEARBPZSA-N 431.521 3.954 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)cc1C(=O)O 12552511 RWVZYTKHARXEIB-UHFFFAOYSA-N 425.388 3.699 0 40 IHAB COc1cc(C(C)=O)ccc1OCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 12558341 WWEOGAYPAGGDBP-UHFFFAOYSA-N 436.430 3.644 0 40 IHAB COCCn1c(SCC(=O)Nc2ccccc2N2CCCC2)nnc1-c1ccccc1 12558490 BVZJUBGWMNCGPW-UHFFFAOYSA-N 437.569 3.923 0 40 IHAB Cc1ccc(C(=O)NCCNC(=O)c2ccccc2NC(=O)c2cccs2)cc1F 12744776 GHLIEZYAYIOCIN-UHFFFAOYSA-N 425.485 3.608 0 40 IHAB O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)c2cccc(Br)c2)CC1 12749076 IXNWSXORYQLFHK-UHFFFAOYSA-N 430.298 3.955 0 40 IHAB CC(=O)Nc1cccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 12912671 BQVAFXGWUAPRCH-UHFFFAOYSA-N 443.569 3.781 0 40 IHAB CCCC(=O)N1CCC[C@H](c2nc(O)c3nnn(Cc4ccc(C(C)(C)C)cc4)c3n2)C1 13083452 SGADEIYYHISFHC-KRWDZBQOSA-N 436.560 3.779 0 40 IHAB Cc1ccc(C2=NN(C(=O)Cn3nc(-c4ccc(F)cc4)oc3=O)[C@H](c3ccco3)C2)cc1 13165259 FTYNESRMMNMLHG-FQEVSTJZSA-N 446.438 3.922 0 40 IHAB Cc1cccc(N2CCN([C@H](c3nnnn3Cc3ccc4c(c3)OCO4)C(C)C)CC2)c1C 13505142 PJMWAIVMSMXKFD-DEOSSOPVSA-N 448.571 3.586 0 40 IHAB C[C@H](NC(=O)CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)c1ccc2ccccc2c1 14018075 JTOXVVPJEBLRKF-IZHWHUGBSA-N 433.533 3.862 0 40 IHAB COc1ccc(NC(=O)c2ccc(NC(=O)CN(C)Cc3ccc4c(c3)OCO4)cc2)cc1 14117485 HVVNKHGGFXIFBF-UHFFFAOYSA-N 447.491 3.747 0 40 IHAB CCCn1c2ccccc2c2nnc(SCC(=O)N[C@H](C(C)=O)c3ccccc3)nc21 15081555 GNZWAEGJXNFDFS-HXUWFJFHSA-N 433.537 3.928 0 40 IHAB CCOc1cc(CNCc2ccccc2CN2CCOCC2)cc(Br)c1OC 17318132 SPKPAPYGRPEPLM-UHFFFAOYSA-N 449.389 3.978 0 40 IHAB Cc1ccc(CSCCNC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 18202020 GAHFPSWAOLECDM-UHFFFAOYSA-N 446.638 3.754 0 40 IHAB O=C([C@H]1CCCO1)N1CC[C@H](c2nc(Nc3cccc(F)c3)cc(-c3ccncc3)n2)C1 19294162 FYJYUTOGKBGRSZ-LAUBAEHRSA-N 433.487 3.916 0 40 IHAB O=C(Cc1ccccc1)N[C@@H](Cc1cc(=O)[nH]c(-c2ccncc2)n1)c1ccc(F)cc1 19370336 GWNMPTWOABLIME-QFIPXVFZSA-N 428.467 3.614 0 40 IHAB CCOc1ncc(C2(O)CCN(Cc3c(OC)ccc4ccccc34)CC2)c(OCC)n1 19531711 QIAQZXZRMVOVJC-UHFFFAOYSA-N 437.540 3.919 0 40 IHAB CNC(=O)[C@]1(Cc2ccc(-c3ccc(OC)cc3)cc2)CCCN(C(=O)c2ccccn2)C1 19591209 HDFKIVWBNOEQRV-MHZLTWQESA-N 443.547 3.968 0 40 IHAB COc1cc(CN2CC[C@](Cc3ccc(-c4cccnc4)cc3)(C(N)=O)C2)cc(OC)c1 19595070 RWJKNGGUVTVPOZ-AREMUKBSSA-N 431.536 3.686 0 40 IHAB CS(=O)(=O)N(CC(=O)N[C@H]1CCCc2ccccc21)Cc1ccc(Cl)c(Cl)c1 20015429 MJAJQQGFJKRQIE-IBGZPJMESA-N 441.380 3.949 0 40 IHAB O=C(C[C@@H]1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21)Nc1ccc(F)c(Cl)c1 20103488 IRUSARGJGGKHKR-IFXJQAMLSA-N 442.878 3.924 0 40 IHAB O=C(N[C@@H]1CCCc2ccccc21)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 20107113 CPKMLQHCMKKDQJ-JOCHJYFZSA-N 430.545 3.561 0 40 IHAB C[C@H](C(=O)NCc1ccc(F)cc1)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)C3CC3)[C@@H](C)[C@@H]2[C@H]1O 20466635 BISNMYWJEPENMC-XZPQOCTFSA-N 444.591 3.796 0 40 IHAB biogenic,in-vitro O=C(Nc1cccc(OCc2cc(=O)n3ccccc3n2)c1)Nc1ccc2c(c1)OCCO2 21099597 VFUSTKVIZMMZIV-UHFFFAOYSA-N 444.447 3.689 0 40 IHAB Cc1cc(Cl)ccc1N(CC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)S(C)(=O)=O 22336583 BJJXWKRYHLRDLM-QGZVFWFLSA-N 436.961 3.833 0 40 IHAB COc1ccc(Cl)cc1NC(=O)CN(c1ccc(OC(C)C)cc1)S(C)(=O)=O 22386814 MAVVIYGNCIWTTD-UHFFFAOYSA-N 426.922 3.541 0 40 IHAB Cc1nc(SCc2ccccc2)[nH]c(=O)c1CC(=O)NCCc1c[nH]c2ccccc12 23138462 BZQOJKDUUZJPLP-UHFFFAOYSA-N 432.549 3.753 0 40 IHAB O=C1N=C(O)[C@@]2(Cc3ccccc3N3CCOC[C@@H]32)C(=O)N1c1cc(Cl)ccc1Cl 25185117 FWMBGTDTZQRUNY-UTKZUKDTSA-N 446.290 3.864 0 40 IHAB CN1C(=O)c2ccc(NC(=O)COC(=O)C3(c4ccc(Cl)cc4)CCCC3)cc2C1=O 25441049 UITQTRHBUFCFIH-UHFFFAOYSA-N 440.883 3.560 0 40 IHAB Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)N2CCN(C[C@H]3CCCO3)CC2)c1 25609056 SYSJFMOJIDXMLF-HSZRJFAPSA-N 448.542 3.924 0 40 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3.979 0 40 IHAB O=C(CCc1ccc(Cl)cc1)N1CCC[C@H](c2ncccc2C(=O)N2CCOCC2)C1 19709370 CNAWJYNZOPZCQV-IBGZPJMESA-N 441.959 3.546 0 40 IHAB Cc1nc(C)c(C(=O)N2CCC[C@H]2c2nc(C)c3c(n2)N(Cc2ccc(F)cc2)C(=O)C3)o1 19739891 BBABSXSNZCDQEW-IBGZPJMESA-N 449.486 3.596 0 40 IHAB CN(C)C(=O)c1cc([C@@H]2CN(C(=O)CCCc3ccc(F)cc3)CCO2)nc2ccccc12 19762154 MWFZCGKGFBBLOS-DEOSSOPVSA-N 449.526 3.999 0 40 IHAB COC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2C)cc1 20061614 SDHYWWXSUZGPFL-UHFFFAOYSA-N 430.526 3.599 0 40 IHAB Cc1ccccc1N1C[C@@H](C(=O)Nc2ccccc2C(=O)NCc2ccccc2)CC1=O 21347914 AIXLBVDTLFLFMU-FQEVSTJZSA-N 427.504 3.917 0 40 IHAB O=C(Cn1cnc2ccccc2c1=O)OCC(=O)c1c(-c2ccccc2)[nH]c2ccccc12 21373550 DTZLZUWROUZYSE-UHFFFAOYSA-N 437.455 3.971 0 40 IHAB C[C@H](Sc1nc(O)c2cnn(-c3ccccc3)c2n1)C(=O)Nc1cc(F)ccc1F 21603415 MTDQSJDMOVHKFI-NSHDSACASA-N 427.436 3.919 0 40 IHAB Cc1ccccc1OC[C@H](C)NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 22334946 DYFLYFKEQGTOOS-AWEZNQCLSA-N 445.368 3.652 0 40 IHAB O=C(CCCN1C(=O)c2ccc(Br)cc2C1=O)NCc1ccc(Cl)cc1 22560041 DCFQSHUNJZJZLZ-UHFFFAOYSA-N 435.705 3.795 0 40 IHAB CN1CCN(c2ccc(NC(=O)CCCOc3ccc(Br)cc3)cc2)CC1 23134161 IREXZQRBLKTUDT-UHFFFAOYSA-N 432.362 3.999 0 40 IHAB COc1ccc(CN2CCN([C@@H](C)C(=O)Nc3ccccc3C(F)(F)F)CC2)cc1F 27541876 HNMIHFZXSTXRKC-HNNXBMFYSA-N 439.453 3.998 0 40 IHAB Cc1cc(NC(=O)c2cc(Br)c(Br)s2)ccc1-n1cnnn1 29102118 YZJRPNYIOZNJPL-UHFFFAOYSA-N 443.124 3.810 0 40 IHAB Cc1ccc(-c2noc(-c3ccc(OCC(=O)N4CCN(CC(C)C)CC4)cc3)n2)cc1 32579074 WSXZHLBJQAJDDV-UHFFFAOYSA-N 434.540 3.891 0 40 IHAB Cc1ccc(CN(C)C(=O)CN(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)o1 32753376 OKKKZHGATYCFFW-UHFFFAOYSA-N 431.842 3.789 0 40 IHAB Cn1ccnc1[C@H](NC(=O)Cc1cc(Cl)c2c(c1)OCCCO2)c1ccc(F)cc1 32836925 BGVMNRSRZBHGDE-HXUWFJFHSA-N 429.879 3.822 0 40 IHAB COc1ccc(C(=O)Nc2ccncc2Cl)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C 32845145 DANJKKQBRZGUFL-BBRMVZONSA-N 437.949 3.853 0 40 IHAB C[C@H]1CCCN(C(=O)C2CCN(Cn3nc(-c4cccnc4)n(C4CC4)c3=S)CC2)C1 32926862 GKKFRBIDUJIAFE-KRWDZBQOSA-N 440.617 3.739 0 40 IHAB COc1ccc(S(=O)(=O)N(C)c2ccsc2C(=O)NCc2ccc(C)cc2)cc1 33141756 XLRROWOYIOOMBF-UHFFFAOYSA-N 430.551 3.820 0 40 IHAB CCCCn1c(=O)c2sccc2n2c(CCC(=O)NCc3ccccc3Cl)nnc12 35528735 BPBVNWXAEKZTBQ-UHFFFAOYSA-N 443.960 3.808 0 40 IHAB CCCCCN(Cc1nnc(-c2ccccc2)o1)S(=O)(=O)c1c(C)nn(CC)c1C 36615123 QCDBRZOWWLZNRQ-UHFFFAOYSA-N 431.562 3.951 0 40 IHAB COC(=O)C1=C(C)N(CCCCCC(=O)O)C(=O)N[C@@H]1c1ccccc1Br 40152349 SYNLHXODNDFJEP-QGZVFWFLSA-N 439.306 3.607 0 40 IHAB CCCCn1c(SCC(=O)Nc2cccc(NC(C)=O)c2)nc2ccsc2c1=O 57426431 KHTHEEIVHZZYBS-UHFFFAOYSA-N 430.555 3.947 0 40 IHAB Cc1ccc(Cn2c(=O)c3sccc3n(CC(=O)Nc3ccccc3F)c2=O)cc1C 57427006 JZOAWHWFCFXVHF-UHFFFAOYSA-N 437.496 3.668 0 40 IHAB CCOc1ccccc1CNC(=O)c1cn(-c2ccc(-c3nc(C(C)C)no3)cn2)cn1 71768315 FQEBZLOQVPVUBV-UHFFFAOYSA-N 432.484 3.769 0 40 IHAB C[C@@H]1C[C@@H](C)CN(C[C@@H](C)NC(=O)C2(NC(=O)OC(C)(C)C)Cc3ccccc3C2)C1 72289293 FMCKSYYAAFCCQH-GUDVDZBRSA-N 429.605 3.531 0 40 IHAB CC(=O)Nc1ccc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)c2ccccc2)cc1 72296944 UNSXXUJXCJOXIT-DEOSSOPVSA-N 429.520 3.578 0 40 IHAB Cc1nn(C)cc1C(=O)N1CC[C@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)[nH]n2)C1 72371483 FBBSWGSYNBBUPS-HNNXBMFYSA-N 447.461 3.722 0 40 IHAB CCn1ccc(C(=O)N2CC[C@H](c3cc(CCOc4cccc(C(F)(F)F)c4)[nH]n3)C2)n1 72371667 CVGRYMNWOULTOY-HNNXBMFYSA-N 447.461 3.896 0 40 IHAB NC(=O)c1ccc(-c2cnc(N)nc2[C@@H]2CCCCN2C(=O)CCc2ccc(F)cc2)cc1 72377272 HNAREQIOBQMESJ-NRFANRHFSA-N 447.514 3.650 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC[C@@H](O)c2cccc3ccccc23)cc1 77117464 GXQWSCRKAAMBKG-HSZRJFAPSA-N 440.565 3.724 0 40 IHAB CO[C@H](C)c1nc(CN2CCCN(CC(=O)Nc3ccc(F)c(Cl)c3)CC2)cs1 79053458 HZPDTJDQJSVMKC-CQSZACIVSA-N 440.972 3.789 0 40 IHAB O=C(NCC1(c2ccc(Br)cc2)CCC1)[C@H]1CCCN(c2ncccn2)C1 84613409 MFQMDRLAUXDXTR-INIZCTEOSA-N 429.362 3.694 0 40 IHAB O=C(NCCCN1CCC2(CC1)OCc1ccccc12)[C@@H]1CCCN1Cc1ccccc1 95938041 MAKMQGKJURAJEN-VWLOTQADSA-N 433.596 3.679 0 40 IHAB COCCn1ccc2c(NC(=O)COc3cc(O)c4c(c3)OC(C)(C)CC4=O)cccc21 96113727 AZSHWGABGLBMNB-UHFFFAOYSA-N 438.480 3.755 0 40 IHAB biogenic CC(C)NC(=O)N1CCC2(CC1)C[C@@H](CC(=O)NCc1ccco1)c1ccccc1O2 96243002 PASOLZKIXMESLR-GOSISDBHSA-N 425.529 3.805 0 40 IHAB O=c1c(-c2ccc(Cl)cc2)coc2c3c(ccc12)OCN(CCN1CCOCC1)C3 96318586 AJNPUJSNKIHRJJ-UHFFFAOYSA-N 426.900 3.598 0 40 IHAB COc1ccc(-c2csc(NC(=O)COC(=O)C3C[C@@H]4CCC[C@@H](C3)C4=O)n2)cc1 101851912 XKOCGTJPUQTFOH-GJZGRUSLSA-N 428.510 3.696 0 40 IHAB Cc1cn2nc(C(=O)N3CCN(c4ccccc4)CC3)cc2c(N(C)Cc2ccccc2)n1 169777033 XVVXRFGQJMMKSF-UHFFFAOYSA-N 440.551 3.637 0 40 IHAB Cn1nnnc1SCC(=O)Nc1ccccc1-c1csc(-c2ccccc2F)n1 208011138 RJEVKLINHDQVED-UHFFFAOYSA-N 426.502 3.871 0 40 IHAB CCOc1ccccc1CNC(=O)[C@@H](C)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 220439144 XAAPGKXHLXXRSD-CYBMUJFWSA-N 445.368 3.863 0 40 IHAB COc1ccc(N(CCCC(=O)Nc2ccc(OC)c(Cl)c2)S(C)(=O)=O)cc1 222601028 VQEZOWZWRKRHEH-UHFFFAOYSA-N 426.922 3.542 0 40 IHAB COc1ccc(CN(C(C)=O)[C@@H](C(=O)NCc2ccc3c(c2)OCO3)c2ccccc2)cc1 223543161 UGFBRXNZDZVEDH-RUZDIDTESA-N 446.503 3.830 0 40 IHAB COc1ccccc1CCCNS(=O)(=O)c1ccc(SC)c(NC(=O)C(C)C)c1 224227388 MSCLXNVAGWRZNA-UHFFFAOYSA-N 436.599 3.923 0 40 IHAB CN(c1ccc(C(=O)NCCOCc2ccccc2)cc1)S(=O)(=O)c1cccs1 224237257 MVGUCAVWTGHIPW-UHFFFAOYSA-N 430.551 3.520 0 40 IHAB O=C(c1ccccc1SC(F)F)N1CCN(c2nccn3nc4c(c23)CCCC4)CC1 225742585 GXTAGQGKSATTAI-UHFFFAOYSA-N 443.523 3.885 0 40 IHAB CC(=O)c1cccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]45)[C@H]3C2=O)C(=O)c2ccccc2)c1 226389675 MTRDJRREEWGBFT-YWIRWFRESA-N 440.499 3.547 0 40 IHAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)[C@@H](O)[C@@H](O)C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 244970302 HSENALUPARAQJF-UCIUDWLLSA-N 426.594 3.716 0 40 IHAB CC(C)(C)C(=O)N1CCC[C@@](COc2ccc(Cl)cc2)(CC(=O)N2CCOCC2)C1 257226920 FMTDIUUDYWZNRD-HSZRJFAPSA-N 436.980 3.623 0 40 IHAB O=C(CCn1cccn1)N1CCO[C@@H](c2cccc(Cc3ccccc3C(F)(F)F)n2)C1 257235595 GYNNPMSFKNNOBD-OAQYLSRUSA-N 444.457 3.878 0 40 IHAB O=C(c1cccc(Cn2ccnc2)c1)N1CCOC[C@H](Cc2cccc3ncccc23)C1 257284607 PDKZHMMTVHLWKL-OAQYLSRUSA-N 426.520 3.811 0 40 IHAB O=C(c1ccccc1Cn1cncn1)N1CCC[C@@H]1c1cncc(Cc2cccc(F)c2)n1 257310573 UFRXNFGNLQAQDW-XMMPIXPASA-N 442.498 3.824 0 40 IHAB COc1ccc([C@H]2CN(CC(=O)NC(c3ccccc3)c3ccccc3)CCN2C)cc1 257338237 YWOBSHZSPJOLLQ-RUZDIDTESA-N 429.564 3.890 0 40 IHAB COc1ccc(F)cc1-c1ccc2nc([C@H]3CCCN(C(=O)c4cc(C)no4)C3)nn2c1 306123176 AGEWHYSUNADJOC-INIZCTEOSA-N 435.459 3.860 0 40 IHAB CCc1cccc(CC)c1N1C[C@@H](C(=O)OCC(=O)Nc2ccccc2Cl)CC1=O 408663569 PZYLAXPLVVJOFT-KRWDZBQOSA-N 428.916 4.000 0 40 IHAB COC(=O)CSC1=NC(C)=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C)c(OC)c2)N1 408990883 OSLRPGWEDVUYGF-NRFANRHFSA-N 439.537 3.823 0 40 IHAB CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCC(=O)Nc1cccc(F)c1C 409058447 NFCOISPIMWXWMN-UHFFFAOYSA-N 441.532 3.715 0 40 IHAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)ccc1OCc1ccc(F)cc1 409139883 BZVKZERNZUULBO-VCHYOVAHSA-N 431.441 3.924 0 40 IHAB COc1cc(/C=C2/NC(=O)N(C)C2=O)cc(Br)c1OCc1ccc(C)cc1 409196206 XPCGGSDXYGHDOY-CXUHLZMHSA-N 431.286 3.868 0 40 IHAB CC(C)NC(=O)c1ccccc1NC(=O)c1ccccc1NS(=O)(=O)c1ccccc1 409410758 PKDZKPDNPQZASC-UHFFFAOYSA-N 437.521 3.878 0 40 IHAB Cc1ccc(OCCCC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)cc1C 1525837415 PQLARTCZIKTNSR-XSFVSMFZSA-N 439.537 3.710 0 40 IHAB CCN(CC)Cc1cc(OC(=O)c2cc(OC)c(OC)c(OC)c2)cc(C(=O)OC)c1 1622051 QOYTWCFNWSADSP-UHFFFAOYSA-N 431.485 3.560 0 40 IHAB CCCCNC(=O)[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(C)C 4309902 GMWHGPICDUMMGM-NRFANRHFSA-N 425.529 3.618 0 40 IHAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(CO)[C@@H]3C[C@H]3O[C@]32[C@H](C)OC(C)=O)C1 8382409 DWYNCPYCKLCUCM-XCUHEOBTSA-N 432.557 3.552 0 40 IHAB biogenic,in-vitro Cc1ccc(NC(=O)N(Cc2cc3cc(C)cc(C)c3[nH]c2=O)C[C@H]2COCCO2)cc1 8582717 HEFOZZFRRHVPKM-QFIPXVFZSA-N 435.524 3.903 0 40 IHAB O=C(CCc1nc2ccccc2n(CCc2ccccc2)c1=O)Nc1ccc2c(c1)OCO2 8756565 WOKCATPKLCHPTC-UHFFFAOYSA-N 441.487 3.939 0 40 IHAB Cc1ccc(-c2ccsc2C(=O)OCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)cc1 8778244 GFECFWDIQFPHCD-SFHVURJKSA-N 449.594 3.552 0 40 IHAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N(CCc1ccccc1)Cc1cccs1)C2=O 8900609 GUDYFEDZDGZERR-UUOWRZLLSA-N 439.581 3.820 0 40 IHAB CN(Cc1ccc2c(c1)OCCO2)C(=O)CN1CCC[C@H](c2nc3ccccc3s2)C1 8945559 BHBGHHBPPDZNRD-SFHVURJKSA-N 437.565 3.906 0 40 IHAB CCOC(=O)c1c(NC(=O)CNc2cccc3ccccc23)sc(C(=O)NC)c1C 9336742 PCEIWMHJEFHCPJ-UHFFFAOYSA-N 425.510 3.797 0 40 IHAB COCCNc1nnc(SCc2csc(CC(=O)Nc3ccccc3C)n2)s1 9455209 UWVXMUAQRQUHIU-UHFFFAOYSA-N 435.600 3.835 0 40 IHAB COc1ccc(C(=O)NCCc2nnc3ccc(SCc4ccccc4F)nn23)cc1 9578650 YUHGEQSLWRGHFZ-UHFFFAOYSA-N 437.500 3.537 0 40 IHAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCC(=O)c3ccc(F)cc3)cc2)C1 9587013 OMLKZIRMEGBRCL-HOTGVXAUSA-N 433.501 3.532 0 40 IHAB COc1ccccc1CNC(=O)CSc1ccc(-c2ccc(-n3cccn3)cc2)nn1 9738822 VOIWPAFGIBKHDB-UHFFFAOYSA-N 431.521 3.746 0 40 IHAB Cc1cc(C(=O)CSc2nnc(NCc3ccc(F)cc3)s2)c(C)n1-c1nnc[nH]1 9949745 PVBFSFKDJABWDV-UHFFFAOYSA-N 443.533 3.790 0 40 IHAB COc1ccc(OC)c(/C=C/C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)c1 9990030 RYYQAHYAOAMPOX-XBXARRHUSA-N 437.492 3.610 0 40 IHAB COCCCNC(=O)c1ccc(CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 10434294 OTCUYECSCYGVKJ-UHFFFAOYSA-N 445.368 3.726 0 40 IHAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)cc1 10551313 IMLAQKAFPMJZQN-UHFFFAOYSA-N 427.551 3.801 0 40 IHAB O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1nnc(CSc2ccccc2)o1 10690102 MNWIRXWLZDDCEB-UHFFFAOYSA-N 437.930 3.818 0 40 IHAB CC1CCN(C(=O)[C@H](C)OC(=O)c2c(NC(=O)c3ccco3)sc3c2CCC3)CC1 10935841 IIWIKFBFRIYBPT-AWEZNQCLSA-N 430.526 3.886 0 40 IHAB CC1CCN(c2nnc(SCC(=O)N[C@H]3CCCC[C@H]3C)n2Cc2ccco2)CC1 11374071 AEPXPYMHCCPGDD-MJGOQNOKSA-N 431.606 3.943 0 40 IHAB CNC(=O)NC(=O)[C@H](C)Sc1nnc(-c2ccc(OC)cc2)n1[C@@H]1CCCC[C@@H]1C 11537930 UAFLYXVJAQWPBE-GRDNDAEWSA-N 431.562 3.641 0 40 IHAB COc1ccc(OC)c(CNC(=O)[C@H]2C[C@@H]3CC[C@@]2(C)C[C@]32NC(=O)c3ccccc3N2)c1 12142470 UDKKICFLKGKQIQ-OVNNNXKZSA-N 449.551 3.698 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3S(=O)(=O)c2ccccc2)cc1 12180414 CSDWJQZAFGWJFY-UHFFFAOYSA-N 442.562 3.937 0 40 IHAB Cc1ccccc1-n1ncc2c(=O)n(CC(=O)Nc3ccc(Cl)c(Cl)c3)cnc21 12237654 QWASHQHFSLVJSE-UHFFFAOYSA-N 428.279 3.836 0 40 IHAB COc1ccc(/C=C/C(=O)N[C@H]2CCCC[C@@H]2NC(=O)/C=C/c2ccc(OC)cc2)cc1 12289984 SXFGUCSRGRKPQZ-MXMZADCZSA-N 434.536 3.974 0 40 IHAB O=S1(=O)CC[C@@H](Cc2nc3ccccc3n2C[C@H](O)c2cccc(Br)c2)C1 12535735 SXSWMWBLFQFSSA-LIRRHRJNSA-N 449.370 3.510 0 40 IHAB CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)CC)N3CCC[C@@H](C)C3)cc2c1 12712803 URTITZWENUOLET-IERDGZPVSA-N 438.576 3.880 0 40 IHAB CNC(=O)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(OC)c4ccccc34)C2)cc1 12810381 PXYJBMZMXVSLLY-GOSISDBHSA-N 445.519 3.699 0 40 IHAB Cc1cc(O[C@H](C)C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c2c3c(c(=O)oc2c1)CCCC3 12865622 UWTGYNAKLDLHOU-ZENTWMBTSA-N 439.552 3.901 0 40 IHAB biogenic C[C@@H]1Oc2ccc(NC(=O)c3nc(-c4ccccc4)n(-c4ccccc4)n3)cc2NC1=O 13128811 VYLGOMIIFCYUNC-HNNXBMFYSA-N 425.448 3.906 0 40 IHAB Cc1c(CC(=O)NCCc2c[nH]cn2)c(=O)oc2cc3c(cc12)CCC1(CCCCC1)O3 13570782 NKMOCYSSZXQEEZ-UHFFFAOYSA-N 435.524 3.754 0 40 IHAB Cc1ccccc1NC(=O)[C@@H](Cc1ccccc1)NC(=O)N1CC(=O)Nc2ccccc21 13571207 ZUOXOLHJQQTKEG-OAQYLSRUSA-N 428.492 3.713 0 40 IHAB CCn1c(CC(=O)Nc2cc(C)cc(C)c2)nnc1S[C@@H](C)C(=O)NC1CCCC1 13956652 ZVRPEXOQRUXASJ-INIZCTEOSA-N 429.590 3.635 0 40 IHAB O=C(C[C@@](O)(c1ccccc1)C(F)(F)F)N1CCN(Cc2ccc(Cl)cc2)CC1 14113816 YLTRYTDMZMHQPJ-HXUWFJFHSA-N 426.866 3.824 0 40 IHAB Cc1c(C(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)[nH]c2c1C(=O)CCC2 14234869 MFYMAXDIDREYLD-UHFFFAOYSA-N 434.565 3.924 0 40 IHAB O=C(Nc1ccc(Cl)cc1Cl)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 15432103 RGEHZEHDJQMCKD-CQSZACIVSA-N 429.325 3.703 0 40 IHAB COc1ccc(C(=O)OCc2cc(=O)n3nc(C4CCCCC4)sc3n2)cc1OC 15734155 QKLRLCYULCYJKW-UHFFFAOYSA-N 429.498 3.573 0 40 IHAB COC(=O)c1ccc(NC(=O)c2cccn(Cc3ccc(C(F)(F)F)cc3)c2=O)cc1 15882843 HXHNMDOUXWXPQX-UHFFFAOYSA-N 430.382 3.954 0 40 IHAB COc1cc(NC(=O)COC(=O)c2sc(-c3ccccc3)nc2C)cc(OC)c1OC 17828301 CAUPKJLNEZJVNR-UHFFFAOYSA-N 442.493 3.940 0 40 IHAB Cc1cc2c(cc1C(=O)c1cccs1)N(CC(=O)N[C@@H]1CCCC[C@H]1C)C(=O)CO2 19124977 DGCWCJSLCSLHDZ-RHSMWYFYSA-N 426.538 3.708 0 40 IHAB C[C@H](OC(=O)CCn1c(=O)oc2cc(Cl)ccc21)C(=O)N1c2ccccc2C[C@@H]1C 19161215 NAQKVVSBDSUHRQ-KBPBESRZSA-N 428.872 3.548 0 40 IHAB CCn1cc(CN2CCC(C[C@@H]3CC(c4ccccc4F)=NO3)(C(=O)O)CC2)c(C)n1 19524518 YAEHSLNCLQQNTA-SFHVURJKSA-N 428.508 3.601 0 40 IHAB CCOC(=O)[C@]1(Cc2cc(-c3ccccc3C)no2)CCCN(C(=O)[C@H]2CCCO2)C1 19529932 QHPNOKLNXIJLCH-QPPBQGQZSA-N 426.513 3.543 0 40 IHAB NC(=O)c1sc2ccccc2c1[C@@H]1CN(Cc2cn(CCCO)c3ccccc23)CCO1 19697594 SEYJBRMAMOXKSR-NRFANRHFSA-N 449.576 3.911 0 40 IHAB CC(=O)N1CCc2nc([C@H]3CCCCN3Cc3ccccc3Cl)nc(N(C)C)c2C1 19710432 HBVUZAYBQMMHPS-OAQYLSRUSA-N 427.980 3.828 0 40 IHAB CC(=O)N[C@H]1C[C@@H](CCNC(=O)c2cc3cc(F)ccc3[nH]2)O[C@@H](c2ccccc2F)C1 19712386 NZVICXFMFLIZFX-YZZKKUAISA-N 441.478 3.991 0 40 IHAB Cc1cccc(CN2C(=O)CCCC[C@@H]3[C@@H]2CCN3Cc2ccnc(N3CCCC3)n2)c1 19713349 CCVIAXKXSPQXGU-RPWUZVMVSA-N 433.600 3.931 0 40 IHAB CCc1ccccc1N(CC(=O)Nc1ccccc1C(=O)O)S(=O)(=O)c1ccccc1 20233556 HHWBWNXCHYPVOK-UHFFFAOYSA-N 438.505 3.781 0 40 IHAB CCCCNS(=O)(=O)c1cccc(NC(=O)CCc2c(C)nn(CC(C)C)c2C)c1 21706383 MCBUCZQRMMLTAO-UHFFFAOYSA-N 434.606 3.806 0 40 IHAB CC(C)(C)NC(=O)NC[C@@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2F)CC1 22851554 JNUZJQYPXJKSDC-FQEVSTJZSA-N 442.535 3.515 0 40 IHAB C[C@@H](c1nnc(-c2ccccc2)o1)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 22915210 DDHKXEVJQZNJFO-INIZCTEOSA-N 425.920 3.707 0 40 IHAB CC(C)C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O)c1ccccc1 23290700 RTTYAGJXRBDKLW-NVQXNPDNSA-N 433.552 3.846 0 40 IHAB Cc1nc(COc2ccccc2C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)no1 23699743 KHJZMAZQLZNWEK-UHFFFAOYSA-N 434.496 3.513 0 40 IHAB COc1ccc([C@@H]2CCCN2C(=O)Cn2c(S)nnc2-c2cccc(C)c2)cc1OC 24985093 KGXTXCKWCCFNJU-SFHVURJKSA-N 438.553 3.923 0 40 IHAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)CCc1nnc(-c2ccccc2)o1)CC3 25453750 KJMCCDWDSFGSMU-UHFFFAOYSA-N 430.464 3.522 0 40 IHAB O=C(OCc1cc(=O)n2cc(Cl)ccc2n1)c1cccnc1SCC(F)(F)F 25959215 IKLCKHJSGHVAMZ-UHFFFAOYSA-N 429.807 3.754 0 40 IHAB C[C@@H](c1nnc(SCCn2c(=O)oc3ccccc32)n1-c1ccc(F)cc1)N(C)C 26011222 YNPUEPUFFSJHRG-AWEZNQCLSA-N 427.505 3.729 0 40 IHAB COc1ccccc1OCCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2 27915178 NXBMRGMZGYMGGW-UHFFFAOYSA-N 441.505 3.741 0 40 IHAB COc1ccc2c(c1)CCCN2C(=O)CSc1nnc([C@@H]2COc3ccccc3O2)o1 29509880 JFOGZKVNHMXYQD-IBGZPJMESA-N 439.493 3.662 0 40 IHAB O=C(NC1CCN(C(=O)c2cc(-c3cccc(Cl)c3)n[nH]2)CC1)c1ccccc1F 32711096 YDCDCPBCQFGBOD-UHFFFAOYSA-N 426.879 3.904 0 40 IHAB COc1ccc(CN(C)C(=O)c2ccc(OC)c(S(=O)(=O)N3CCCCCC3)c2)cc1 32750515 CKDVOSFRWDTJPR-UHFFFAOYSA-N 446.569 3.541 0 40 IHAB COc1ccc(OC)c(CNC(=O)[C@@H]2CCCN(c3ncnc4c3oc3ccccc34)C2)c1 33290505 BJCSJRDDRAIINV-MRXNPFEDSA-N 446.507 3.926 0 40 IHAB COc1ccc(NC(=O)[C@@H]2C[C@H](CCSC)N[C@]23C(=O)Nc2c(C)cc(C)cc23)cc1 35828061 ZYNUTHFIZQWYSX-REIDKSKDSA-N 439.581 3.829 0 40 IHAB CC(C)C(=O)Nc1ccc2[nH]cc([C@@H](C(=O)O)N3CCN(c4ccc(F)cc4)CC3)c2c1 36360751 OKAABWDNEAJVHH-QFIPXVFZSA-N 438.503 3.849 0 40 IHAB CC[C@@H](C)[C@H](C(=O)OCc1cn2cc(Cl)ccc2n1)N1C(=O)c2ccccc2C1=O 36430679 COZOTFGAPBDCNI-BFUOFWGJSA-N 425.872 3.742 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)C2CCN(Cc3ccccc3C)CC2)cc1 39747991 FZDAGUDGROQXDQ-UHFFFAOYSA-N 443.613 3.876 0 40 IHAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)Nc2ccc(OC(F)(F)F)cc2)cc1 40005351 NGANSOGNBRQJHC-CYBMUJFWSA-N 445.463 3.711 0 40 IHAB O=C1C[C@H](C(=O)Nc2ccc(Cl)cc2)c2c(nc(Nc3ccc(Cl)cc3)[nH]c2=O)N1 40399203 ZNMCYYQUPSBATN-AWEZNQCLSA-N 444.278 3.885 0 40 IHAB CCOc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(OC)c(OC)c1 40484566 XOHGJXNTLDSCDA-OAQYLSRUSA-N 435.484 3.622 0 40 IHAB CN(c1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1)S(=O)(=O)c1ccccc1 44845493 SQKAKPMXAZJJAC-UHFFFAOYSA-N 449.532 3.891 0 40 IHAB Cc1ccccc1-c1noc(Cn2c(=O)n(-c3cccc(F)c3)c(=O)c3sccc32)n1 48987023 LUKMCSXSASMTEX-UHFFFAOYSA-N 434.452 3.760 0 40 IHAB COc1cccc(-n2nnc(C(=O)NCCc3ccc(Cl)cc3)c2-c2ccncc2)c1 49003459 FWIOCGFJAXUHLF-UHFFFAOYSA-N 433.899 3.964 0 40 IHAB COCc1nn2c(c1-c1ccccc1)N=C(O)C[C@@H]2C(=O)Nc1ccc(OC)cc1OC 49551588 LVUKSXKWTNQYME-GOSISDBHSA-N 436.468 3.885 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN[C@H](C)c1ccccc1 57318531 RZCOPSBXTHAIDJ-GOSISDBHSA-N 445.585 3.549 0 40 IHAB NC(=O)c1ccccc1OCc1cccc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)c1 58016904 MQJPULOAJYNYIJ-XMMPIXPASA-N 443.547 3.931 0 40 IHAB COc1ccc(Cl)cc1NC(=O)Cn1c(=O)n2nc(CC(C)C)nc2c2ccccc21 65535096 IGBFMFJDFTYJOJ-UHFFFAOYSA-N 439.903 3.543 0 40 IHAB Cc1nc(Nc2ncc(C)s2)cc([C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)n1 72360245 SOMVWASZMJWIBQ-KRWDZBQOSA-N 433.534 3.958 0 40 IHAB Cc1nc([C@H]2CCCN2C(=O)c2ccnn2C)nc2c1CCCN2Cc1ccc(F)cc1 72372911 IQRJKWPIXBOINU-HXUWFJFHSA-N 434.519 3.588 0 40 IHAB CCN(CCNS(=O)(=O)c1ccc(OC)c(Br)c1)c1ccc(C)cc1 95470721 IGYULVYSMRZPRF-UHFFFAOYSA-N 427.364 3.571 0 40 IHAB CN1CCN(C(=O)C[C@@H]2CC3(CCN(C(=O)CC4CCCC4)CC3)c3ccccc32)CC1 96242277 WCPWSPIXTIQUDD-JOCHJYFZSA-N 437.628 3.779 0 40 IHAB CC1=NNC(=O)[C@@H]1CCC(=O)N1CCC(c2ccc(Cc3cccc(Cl)c3)cn2)CC1 100700605 ICIKICMIMAIOML-OAQYLSRUSA-N 438.959 3.934 0 40 IHAB CCOC(=O)[C@@H](C(=O)CSc1nnc(-c2cccs2)n1CC)c1nc(C)cs1 102898731 HSFSCBRMPLOWTC-AWEZNQCLSA-N 436.584 3.800 0 40 IHAB CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118919609 OTNAVSJAMNLXPF-DEUQAICHSA-N 432.557 3.744 0 40 IHAB COc1ccc([C@H](CC(C)C)NC(=O)[C@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1 216456680 YMYKSFJRZDGIEI-JTSKRJEESA-N 448.585 3.762 0 40 IHAB CCOC[C@]1(N)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218243341 WNTNTYSCGPMVDM-SQNIBIBYSA-N 444.778 3.776 0 40 IHAB CN(CC(=O)NCCSCc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 219693107 ORQCKMZOSPWMDJ-UHFFFAOYSA-N 447.409 3.664 0 40 IHAB CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccccc1OC 222731445 VJVUHTCWNHPUDG-CYBMUJFWSA-N 425.312 3.544 0 40 IHAB Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)N(C)Cc1ccccc1F 222765319 YZXZVVZCYJRZQI-UHFFFAOYSA-N 448.560 3.783 0 40 IHAB CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1C(C)(C)C 224006215 AJGCJUUXTWOQJV-SFHVURJKSA-N 426.557 3.925 0 40 IHAB Cc1ccc(C)c(OCCNC(=O)[C@@H](C)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)c1 224034295 WLEKMLQSXBAVBB-QGZVFWFLSA-N 438.977 3.615 0 40 IHAB CSc1ccc(S(=O)(=O)NCc2ccc(CN3CCCCC3)cc2)cc1NC(C)=O 224539063 FUVAIZWVWCBBGV-UHFFFAOYSA-N 447.626 3.831 0 40 IHAB COc1cc(OC)cc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c1 224550893 NXQBEDMDCGTYOE-UHFFFAOYSA-N 442.493 3.522 0 40 IHAB CCn1c(=O)sc2cc(NS(=O)(=O)Cc3ccc(Br)cc3)ccc21 225099655 PXYQXCQUIKRCJU-UHFFFAOYSA-N 427.345 3.787 0 40 IHAB COc1ccc(OC)c(-c2cc(C(=O)NCC[C@H](O)c3cccc(Cl)c3)n(C)n2)c1 225610247 HNARODIUSQJASG-FQEVSTJZSA-N 429.904 3.611 0 40 IHAB O=C(c1ccnc(O[C@@H]2CCSC2)c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 225721876 UIAAWYWWFCTWEF-GOSISDBHSA-N 437.487 3.947 0 40 IHAB COC[C@]1(CN)[C@@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242464041 DTPFLKOMZAQSHM-RCCFBDPRSA-N 444.778 3.634 0 40 IHAB CCCCCC(=O)N1CCC(COc2ccc(F)cc2)(CC(=O)N2CCN(C)CC2)CC1 257245802 IRDOVHJTZOZSHX-UHFFFAOYSA-N 447.595 3.558 0 40 IHAB COc1ccc(OCCCNC(=O)[C@@H]2C[C@H]3CC[C@H]2C[C@@]32NC(=O)c3ccccc3N2)cc1 257262100 LKAIGPQVDSDBLQ-ZSAQEALKSA-N 449.551 3.568 0 40 IHAB COc1cccc(Cc2cnc([C@H]3CCCCN3C(=O)CN(C)Cc3ccccn3)o2)c1 257311481 UJQXJGDXVHOOQE-HSZRJFAPSA-N 434.540 3.855 0 40 IHAB CCc1cccc(C)c1NC(=O)COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 408606223 OGTFYFIUIMPMFL-UHFFFAOYSA-N 430.570 3.996 0 40 IHAB Cc1ccccc1CN(c1ccc(C(=O)N2CC(=O)Nc3ccccc32)cc1)S(C)(=O)=O 408618374 KBHQNZIMWPAGSN-UHFFFAOYSA-N 449.532 3.560 0 40 IHAB COc1ccccc1NC(=O)COc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1 409145967 PHEIBERHMUNARI-QGZVFWFLSA-N 440.521 3.752 0 40 IHAB Cc1nc([C@H]2CCCN(C(=O)c3sc(NC(=O)c4cccc(F)c4)cc3C)C2)n[nH]1 538647062 NQDFUGJTHWBGNW-HNNXBMFYSA-N 427.505 3.894 0 40 IHAB Cc1cc(C(=O)N2CCCCCN(C)C(=O)c3ccccc3OC[C@@H]2CC(C)C)n[nH]1 643582221 OXCVJIGGAIHZHS-IBGZPJMESA-N 426.561 3.910 0 40 IHAB CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cnc(-c3cnc4ccc(Cl)cn34)s2)C1 2037835064 VPOOIKQZYWZRQQ-ZDUSSCGKSA-N 447.948 3.850 0 40 IHAB Cc1ccc2[nH]nc(C(=O)N3CCO[C@H](c4cc(Nc5ncc(C)s5)nc(C)n4)C3)c2c1 2037836270 WTYPVXWWBKDVIZ-SFHVURJKSA-N 449.540 3.692 0 40 IHAB CO[C@@H]1CCN2C[C@@H]1CCCCN(Cc1ccc(F)cn1)CCOc1cccc(c1)C2=O 2037980985 PJURJPZOBPSQLM-GBXCKJPGSA-N 441.547 3.763 0 40 IHAB Cc1ccc(N(C(=O)c2ccccc2)[C@H]2CS(=O)(=O)C[C@@H]2OC(=O)c2ccccc2)cc1 1235582 BUJCHVLKNJBRLM-GOTSBHOMSA-N 449.528 3.664 0 40 IHAB COc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)c(OC)cc1NC(=O)/C=C/C(=O)O 1324384 XJEKFWDHHPJHQC-ZHACJKMWSA-N 426.469 3.833 0 40 IHAB C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(NC(=O)c2c(F)cccc2F)s1 1381596 RGFWAHKXNSZCQH-PHIMTYICSA-N 426.514 3.950 0 40 IHAB O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2c3c(sc21)CCCCC3)Nc1ccccc1 2341438 YCSRTHAGBVGRFC-UHFFFAOYSA-N 449.532 3.774 0 40 IHAB aggregator COC(=O)COc1ccc([C@@H]2Nc3ccccc3S(=O)(=O)N2Cc2ccccc2)cc1 2485793 WMNCNYPEBDQNQS-HSZRJFAPSA-N 438.505 3.554 0 40 IHAB O=C(CCCn1c(=S)[nH]c2ccc(Br)cc2c1=O)NCc1ccccc1 2973738 WGGVVYWTZFMBHS-UHFFFAOYSA-N 432.343 3.918 0 40 IHAB COc1cccc(-c2nnc(SCN3C(=O)c4ccccc4C3=O)n2Cc2ccco2)c1 3439997 ZWNXZWYYEUQLTB-UHFFFAOYSA-N 446.488 3.941 0 40 IHAB COc1ccc(S(=O)(=O)c2cn(C)c3cc(N4CCCCCC4)c(F)cc3c2=O)cc1 8596738 MFVQLQCRSGXVSA-UHFFFAOYSA-N 444.528 3.899 0 40 IHAB CCn1c(S[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)nnc1-c1ccco1 8620317 YWWWPPBIRZAUFZ-HNNXBMFYSA-N 427.530 3.514 0 40 IHAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)c1ccc(OCc2cn3ccccc3n2)cc1 9057988 BZUYPUJYRLBFBJ-UHFFFAOYSA-N 432.455 3.763 0 40 IHAB CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1nn2cc(-c3ccccc3)nc2s1 9219613 LDGRIYBHEKMKNF-HXUWFJFHSA-N 433.537 3.780 0 40 IHAB COc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(F)cc2)ccc1OC(F)F 9425405 XSQDMVFLYOEZLU-KRWDZBQOSA-N 437.443 3.867 0 40 IHAB COc1ccc(CCNC(=O)COC(=O)CCSc2ccccc2Cl)cc1OC 9443199 RJJPNHCWEDDJEK-UHFFFAOYSA-N 437.945 3.742 0 40 IHAB O=C(Nc1nc(CC(=O)N2CCN(c3ccccc3Cl)CC2)cs1)c1ccco1 9573747 WKBZAJBYHHJRHY-UHFFFAOYSA-N 430.917 3.533 0 40 IHAB COc1ccccc1S(=O)(=O)NCc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 9596034 CHWXHWBTVABXJO-INIZCTEOSA-N 442.512 3.804 0 40 IHAB CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(C(F)(F)F)cc1 9662107 LBPGYOPRSBNHNE-UHFFFAOYSA-N 435.446 3.643 0 40 IHAB Cc1cccc(-n2nnnc2SCC(=O)N2CCS[C@H]2c2ccccc2F)c1C 9783398 MSBMYTWYVVCZQE-IBGZPJMESA-N 429.546 3.785 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCSCc1ccccc1F 10282106 NZNZQGXNXIMXMZ-UHFFFAOYSA-N 436.574 3.582 0 40 IHAB COCCCNC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)S(C)(=O)=O)cc1 10324300 CEYPIUFUQGKOKU-UHFFFAOYSA-N 445.368 3.726 0 40 IHAB CCC[C@@H](C)NC(=O)CN1c2ccc(Br)cc2-c2ccccc2S1(=O)=O 11120979 CAFWSRVUXRWKEJ-CYBMUJFWSA-N 437.359 3.930 0 40 IHAB COc1ccccc1C(=O)N[C@H](C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1)C(C)C 11418431 GZGJDHDCLGVENE-NRFANRHFSA-N 443.931 3.869 0 40 IHAB CCCOc1c(Br)cc([C@H]2NC(N)=Nc3nc4ccccc4n32)cc1OC 12535126 NZQKYAZZGIWKRX-KRWDZBQOSA-N 430.306 3.693 0 40 IHAB COc1ccc(NC(C)=O)cc1NS(=O)(=O)c1ccc(Br)cc1Cl 12630373 KFISFKDFPIRAJW-UHFFFAOYSA-N 433.711 3.870 0 40 IHAB COc1ccc(OC)c([C@@H](C)NC(=O)Cn2c(S)nnc2-c2ccc(Cl)cc2)c1 12777648 DBWBNDYLJNVDND-GFCCVEGCSA-N 432.933 3.782 0 40 IHAB O=C(Cn1nc(-c2ccccc2F)ccc1=O)Nc1cccc(C(=O)N2CCCCCC2)c1 12881612 UQJTWQVEURUURH-UHFFFAOYSA-N 448.498 3.704 0 40 IHAB CCOc1ccc(-n2c(SCC(=O)NC(=O)NCC(C)C)nc3ccccc32)cc1 13072993 ACGLIRUWBKNSCT-UHFFFAOYSA-N 426.542 3.998 0 40 IHAB CC1=CC=CN2C1=NC(=O)C[C@@]2(C)C(=O)N(CC(=O)NC1CCCC1)c1cc(C)cc(C)c1 13083014 RZBQBTHQUUYYNF-SANMLTNESA-N 448.567 3.558 0 40 IHAB CCNC(=O)NC(=O)[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)c1ccccc1 13114746 AIJUSOXTQDQHFG-GOSISDBHSA-N 441.582 3.944 0 40 IHAB O=C(C[C@@H]1C(=O)N(c2ccccc2)C(=S)N1Cc1ccco1)NCCc1ccccc1 13423987 AWMYHQCAZRDGNU-OAQYLSRUSA-N 433.533 3.531 0 40 IHAB COc1ccc(Cn2nnnc2[C@@H](CC(C)C)N2CCN(c3ccccc3F)CC2)cc1 13504906 AFAQCDNAIDSTNK-HSZRJFAPSA-N 438.551 3.779 0 40 IHAB COc1ccccc1NC(=O)COc1ccc(N(C)S(=O)(=O)c2ccc(F)cc2)cc1 14136368 SSPYNFZDDZVKMG-UHFFFAOYSA-N 444.484 3.677 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)Nc2cccc(SC)c2)cc1 15881602 FKGAWTZIMYZPDW-QGZVFWFLSA-N 434.583 3.989 0 40 IHAB CCOC(=O)c1c(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)sc2c1CCC2 16047952 INPBKFCFDWVGOR-UHFFFAOYSA-N 441.958 3.869 0 40 IHAB COCCOc1ccc(C(=O)N2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4nc(C)cc4N3)C2)cc1 19128219 FFZSOHKDLJURSB-YSIASYRMSA-N 448.514 3.760 0 40 IHAB Cc1cccc(C)c1OCC(=O)N1CCNC(=O)[C@H](Cc2ccccc2-c2ccncc2)C1 19236061 ZQBUNUZSHSQZHB-HSZRJFAPSA-N 443.547 3.562 0 40 IHAB Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@@H]2CCCN2C(=O)Cc2ccccc2F)n1 19290220 YXTOSEXYPRUOOE-NRFANRHFSA-N 434.519 3.523 0 40 IHAB O=C(CCc1ccccc1)N1CCC[C@H](c2n[nH]cc2-c2ccnc(N3CCCC3)n2)C1 19370728 DFLWEAWJRYYFOM-FQEVSTJZSA-N 430.556 3.806 0 40 IHAB CC(C)Cc1cc(C(=O)N2CCNC(=O)[C@H](Cc3ccc(-c4ccccc4F)cc3)C2)[nH]n1 19447415 FDRPVWGBOBDZTK-HXUWFJFHSA-N 448.542 3.845 0 40 IHAB CC(C)c1cc(C(F)(F)F)c2c([C@H]3CCCN(C(=O)CN4CCCC4=O)C3)noc2n1 19452026 NYFBFCSSLAXXNJ-ZDUSSCGKSA-N 438.450 3.693 0 40 IHAB CCN1CCN(C(=O)c2cn(C)cn2)C[C@H](Cc2ccc(-c3cccc(C)c3)cc2)C1=O 19527319 MRJYHEQANHPMLK-QHCPKHFHSA-N 430.552 3.559 0 40 IHAB COc1ccccc1-c1ccccc1C[C@H]1CN(C(=O)Cc2ccccc2)CCNC1=O 19571787 DFCMJSBXCHRNGF-QFIPXVFZSA-N 428.532 3.722 0 40 IHAB COCCc1ncc(CN2CCC[C@H]2c2nc(N(C)C)ncc2-c2cccc(OC)c2)cn1 19689766 JERFQHMRYYCFRF-QFIPXVFZSA-N 448.571 3.534 0 40 IHAB Cc1nnsc1C(=O)N1CCC[C@@H](c2nc(N(C)C)ncc2-c2ccc(F)cc2)C1 19693928 YHPZAZICUZVBSR-OAHLLOKOSA-N 426.521 3.528 0 40 IHAB Cc1ccn2cc(C(=O)N3CCC4(CC=CCN(CCc5ccccc5)C4=O)CC3)nc2c1 19742727 HFPAHCAPVSTRMO-UHFFFAOYSA-N 442.563 3.896 0 40 IHAB O=C(Cn1cnc2c(oc3ccccc32)c1=O)Nc1ccc2c(c1)nc1n2CCCCC1 20009686 NGMPNHMBIGJGQI-UHFFFAOYSA-N 427.464 3.858 0 40 IHAB COc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1 20018742 IULYEELRWNINML-QGZVFWFLSA-N 446.569 3.562 0 40 IHAB CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccccc2C(F)(F)F)Oc2ccc(Cl)cc21 20039058 SEKLFVFGQHSFCX-HNNXBMFYSA-N 434.823 3.525 0 40 IHAB COc1cc2c(cc1OC)[C@@H](c1c(O)[nH]c(=S)n(CCC3=CCCCC3)c1=O)NCC2 20113958 CYDQUPYBBLOGOT-FQEVSTJZSA-N 443.569 3.754 0 40 IHAB biogenic CCc1ccc(S(=O)(=O)NC[C@@H](c2cccn2C)N2CCc3ccccc3C2)s1 21153692 CNUQKRJEAXFJBZ-NRFANRHFSA-N 429.611 3.727 0 40 IHAB C[C@H](NC(=O)CN1C(=O)[C@H](C)N(c2ccc(F)cc2)C1=O)c1ccc(Br)cc1 21268543 SILRDHYVZKQFAU-STQMWFEESA-N 448.292 3.623 0 40 IHAB CC(C)c1cc(C(=O)NCc2ccc(CN3CCOCC3)cc2)c2cnn(C(C)C)c2n1 21936142 DAZPFLLLPZPEFA-UHFFFAOYSA-N 435.572 3.898 0 40 IHAB CCCCNS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccc(F)cc2)c(Cl)c1 22537558 LZTKVJZCVVXQLU-AWEZNQCLSA-N 442.940 3.814 0 40 IHAB CCOc1ccc(C(C)=O)cc1COC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1 24805217 HEQQZERLKYAZJX-UHFFFAOYSA-N 433.526 3.722 0 40 IHAB O=C(c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)N1CCC[C@@H]1c1cccnc1 27163436 IXRCPHCVXHFHAB-OAQYLSRUSA-N 425.485 3.999 0 40 IHAB CCN(C(=O)[C@@H](C)Nc1ccc2c(c1)c1ccccc1n2CC)[C@H]1CCS(=O)(=O)C1 28908484 UWKBFDCBTKRPJV-AEFFLSMTSA-N 427.570 3.650 0 40 IHAB COc1ccc(N(Cc2cccs2)C(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 32678612 BBBLUTJWXBJTLY-UHFFFAOYSA-N 430.551 3.854 0 40 IHAB COc1ccc(F)cc1CN1CCN(C(=O)c2ccc(Br)cc2F)CC1 32781097 GCJGLVNPKOEEAN-UHFFFAOYSA-N 425.273 3.694 0 40 IHAB Cc1cc(SCCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)nc(C(C)C)n1 32871291 HRFZSRZCDIWJGZ-UHFFFAOYSA-N 448.614 3.814 0 40 IHAB Cc1ccccc1C(=O)Nc1nnc(SCC(=O)Nc2ccc(N(C)C)cc2)s1 35314370 LSPBZSOEAZIEGM-UHFFFAOYSA-N 427.555 3.896 0 40 IHAB COCCNC(=O)CNC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccccc1Cl)CC2 36394629 QLLAESPMRDOPOS-VKAVYKQESA-N 449.938 3.867 0 40 IHAB Cc1cc(C(=O)COC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)c(C)n1CCc1ccccc1 40158990 YAOOZKUNLQYZKH-YKSBVNFPSA-N 440.565 3.528 0 40 IHAB O=C(NCC1CCN(C(=O)Oc2ccccc2)CC1)C(=O)Nc1cccc(C(F)(F)F)c1 43941962 FRWJGNQRKCHMQZ-UHFFFAOYSA-N 449.429 3.671 0 40 IHAB COc1cccc(NC(=O)Cn2c(=O)n(-c3ccc(Cl)cc3)c(=O)c3sccc32)c1 57491685 GSKVPGAHGMRVKZ-UHFFFAOYSA-N 441.896 3.515 0 40 IHAB COC(=O)c1cn(CC(=O)NCCc2ccc(F)c(Br)c2)c2ccccc12 58003808 HLRJYYBTEBQUNB-UHFFFAOYSA-N 433.277 3.688 0 40 IHAB O=C(CCCn1nnc(-c2ccccc2)n1)Nc1nnc(SCc2ccccc2)s1 58016763 LVFPTZMECMKCCQ-UHFFFAOYSA-N 437.554 3.903 0 40 IHAB Cc1ccc(CNC(=O)CN2C(=O)[C@H](c3ccccc3)N(Cc3ccccc3)C2=O)cc1 71804861 FAYOIJNZQIXZTE-DEOSSOPVSA-N 427.504 3.817 0 40 IHAB COC(=O)c1ccc(CN(C)C(=O)c2c(C)c3cc(Br)ccc3oc2=O)cc1 84067715 KCPMCCSVIMNLHN-UHFFFAOYSA-N 444.281 3.923 0 40 IHAB C[C@@H]1Oc2ccccc2N(CC(=O)Nc2nc(-c3ccc(-n4cccn4)cc3)cs2)C1=O 89919834 LJFLXRATZZDBHI-HNNXBMFYSA-N 445.504 3.748 0 40 IHAB CC(C)c1ccc(C(=O)Nc2sccc2C(=O)NC[C@@H]2COC3(CCOCC3)O2)cc1 95992247 QHONJENDZKVUQA-GOSISDBHSA-N 444.553 3.776 0 40 IHAB CCOc1cccc([C@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2C(=O)C(C)C)c1 97105738 MFQHIBYRIUUNKK-OAQYLSRUSA-N 429.542 3.791 0 40 IHAB Cc1ccc(N2C(=O)C[C@H](c3c(C)nn(-c4nc5ccccc5[nH]4)c3O)C2=O)cc1Cl 100069129 NPASDIWZDDTYOY-CQSZACIVSA-N 435.871 3.772 0 40 IHAB COc1ccccc1C(=O)NC[C@H]1CC[C@H](c2ccnc3nc(C(F)(F)F)nn32)CC1 100158945 UVDUFYDJXWCAAG-OKILXGFUSA-N 433.434 3.856 0 40 IHAB COc1ccc(Cl)cc1N(CC(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2)S(=O)(=O)c1ccccc1 100623077 GAMCNWBXPVQUKW-MDZRGWNJSA-N 448.972 3.849 0 40 IHAB O=C(COc1ccc2cc(-c3ccccc3)c(=O)oc2c1)NC[C@H]1CC[C@H](C(=O)O)CC1 101900661 XYKMEDUGXHOUKH-MAEOIBBWSA-N 435.476 3.846 0 40 IHAB O=C(O)[C@@H]1[C@@H](C(=O)Nc2sc3c(c2C(=O)N2CCCCC2)CCCC3)[C@H]2C=C[C@H]1C2 102337524 FAUADYRSRSQEFX-USJZOSNVSA-N 428.554 3.714 0 40 IHAB CC(C)(C)c1ccc(/C=c2/sc3nc(=O)c(Cc4ccccc4Cl)nn3c2=O)cc1 102468000 IFMSDBZYHQDMAH-XDHOZWIPSA-N 437.952 3.601 0 40 IHAB C[C@H]1CN(c2ccccc2NC(=O)N[C@H](CN2CCCC2=O)c2ccccc2)C[C@@H](C)O1 106103917 SLRWYSOQLIGTMR-XQBPLPMBSA-N 436.556 3.785 0 40 IHAB COc1ccc(NC(=O)[C@@H](C)N(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c(OC)c1 220191047 JGMHTJXHOSBJHM-GFCCVEGCSA-N 446.447 3.516 0 40 IHAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 222591264 DGKUBIUSFFGVAS-HXUWFJFHSA-N 444.553 3.657 0 40 IHAB CCc1ccc(N(CCCC(=O)n2cc(C(=O)OC)c3ccccc32)S(C)(=O)=O)cc1 222637443 CDKUPUPBALKEAD-UHFFFAOYSA-N 442.537 3.877 0 40 IHAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(C)cc1 222876749 HCAXRLKTBAFUEV-RUZDIDTESA-N 430.548 3.932 0 40 IHAB O=C(NCCCO)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccccc1 223066067 CGWKJQZXUMQORF-AREMUKBSSA-N 444.575 3.758 0 40 IHAB COc1ccc(CN(C(C)=O)[C@@H](Cc2ccccc2)C(=O)NCc2ccccc2OC)cc1 223261063 KCPINGBHYDGOEA-VWLOTQADSA-N 446.547 3.980 0 40 IHAB CCCC[C@@H](CC)CNC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 223994871 MBTMZVGLMMVKRD-GCJKJVERSA-N 430.570 3.976 0 40 IHAB CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(OC)c(OC)c1 224260210 LTKIPXPBRMTSLG-NRFANRHFSA-N 426.557 3.888 0 40 IHAB CCC(=O)Nc1nnc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2C)s1 224568999 VRDAWNFGZUHKOY-SFHVURJKSA-N 430.555 3.571 0 40 IHAB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)cc1N1CCCC1=O 225717093 ZZQMRMIEGUXHST-UHFFFAOYSA-N 445.566 3.880 0 40 IHAB Cc1cc(Nc2nc(C)cs2)cc([C@@H]2CN(C(=O)CC3(O)CCCCC3)CCO2)n1 257225749 FHOXFIWSWLRXGT-IBGZPJMESA-N 430.574 3.884 0 40 IHAB COc1ccc(OC[C@@H](O)CN(C)Cc2ccc(OCc3c(C)noc3C)cc2)cc1 257239509 HPQROAGSTVFLKF-FQEVSTJZSA-N 426.513 3.751 0 40 IHAB Cc1nc2ccc(C(=O)N3CCC[C@](C)(C(=O)NCCOc4ccc(C)c(C)c4)C3)cc2[nH]1 257294868 QWAPZISKYWQNMW-SANMLTNESA-N 448.567 3.926 0 40 IHAB Cc1cc(-c2cn(C)nc2[C@H]2CC[C@H](CNC(=O)[C@@H]3CC(=O)Nc4ccccc43)CC2)on1 257321130 WAEWGWVLHCGKHF-ZHALLVOQSA-N 447.539 3.900 0 40 IHAB CCN(c1ccc(C(=O)N[C@H]2CC(C)(C)Oc3ccc(OC)cc32)cc1)S(=O)(=O)CC 260504258 FYWYINGPQPGINU-FQEVSTJZSA-N 446.569 3.903 0 40 IHAB CCc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Br)cc2)cc1 408665067 SVMLFPZTYVDODH-UHFFFAOYSA-N 433.302 3.912 0 40 IHAB CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCCOC(C)C)cc2)cc1 408703583 TZUJPHFPZRJCLT-UHFFFAOYSA-N 436.599 3.779 0 40 IHAB CCOc1cc2c(cc1/C=C1/SC(=O)N(CC(=O)Nc3ccccc3F)C1=O)OCO2 409107196 QWXKYVFNTKNVMN-QGMBQPNBSA-N 444.440 3.628 0 40 IHAB CC[C@H]1CN(C(=O)NCc2nc(-c3ccc(Cl)cc3)c(C)s2)CCN1C[C@H](C)O 541444632 SAMHDUFYCHUZCF-KSSFIOAISA-N 437.009 3.759 0 40 IHAB O=C(NC[C@H](O)COc1ccc(C(F)(F)F)cc1)Nc1ccc(Oc2cccnc2)nc1 559965804 NZNJQVNHNLVYMZ-INIZCTEOSA-N 448.401 3.849 0 40 IHAB C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)N2CC[C@]3(C2)C(=O)Nc2ccccc23)C1 681767023 HACCQJHBCDBUKW-UYPAYLBCSA-N 446.551 3.932 0 40 IHAB COc1ccc(NC(=O)c2cnn3c2CN(C(=O)CCc2ccccc2F)CCC3)cc1 1565555786 HQGAQABTLNSRMH-UHFFFAOYSA-N 436.487 3.648 0 40 IHAB CCOc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2(CO)c2ccccc21 706244 XSCQSEUYQUNHOC-PGAZUGQPSA-N 425.484 3.628 0 40 IHAB Cn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccccc1Br 933557 NENCEFXGRSVCPX-UHFFFAOYSA-N 433.331 3.887 0 40 IHAB COc1cc(-c2nc(C(=O)N3CCOCC3)cc3c2[nH]c2ccccc23)cc(OC)c1OC 2125707 YKOHZNSXVIXJAR-UHFFFAOYSA-N 447.491 3.881 0 40 IHAB biogenic O=C(CSc1nc2c(c(=O)n1-c1ccc(Cl)cc1)SCC2)NCc1ccco1 2719992 KPOOOOHJHXCDRW-UHFFFAOYSA-N 433.942 3.536 0 40 IHAB Cc1cc(C)n(Cn2ccc(-c3nnc(Nc4ccn(Cc5ccccc5)n4)s3)n2)n1 2730667 WTTXYFRWCWKNCH-UHFFFAOYSA-N 431.529 3.709 0 40 IHAB Cc1c(NC(=O)c2cc3nc(C4CC4)cc(C(F)F)n3n2)c(=O)n(-c2ccccc2)n1C 2781299 MGUKRDFUPZQHFB-UHFFFAOYSA-N 438.438 3.594 0 40 IHAB COC(=O)c1cn(NC(=O)c2cc(-c3ccco3)nc3ccccc23)c(=O)c2ccccc12 3630890 ALBRLOKVRULVOU-UHFFFAOYSA-N 439.427 3.980 0 40 IHAB Cc1cccc2cc(CN(Cc3ccc(F)cc3)C(=S)NCCCN(C)C)c(=O)[nH]c12 6443472 IJGDETHCQKUTIW-UHFFFAOYSA-N 440.588 3.804 0 40 IHAB CCCN1C(=O)[C@@](O)(CC(=O)c2cc(OC)ccc2OC)c2cc(Br)ccc21 8920232 CLNVNOYQAZSLCB-OAQYLSRUSA-N 448.313 3.684 0 40 IHAB Cc1ccc(Nc2nc(N3CCN(C(=O)c4ccco4)CC3)nc3c2C(=O)CCC3)cc1 8993047 KKFSHSSBFKQSLP-UHFFFAOYSA-N 431.496 3.603 0 40 IHAB COC(=O)c1ccc(NC(=O)[C@H]2CCc3sc(NC(=O)c4ccc(F)cc4)nc32)cc1 9131614 SHONGUMZEZWPRQ-INIZCTEOSA-N 439.468 3.990 0 40 IHAB Cc1c(CC(=O)Nc2nnn[nH]2)c(=O)oc2cc3occ(-c4ccc(Cl)cc4)c3cc12 9183774 RACCHXVMJIRZDO-UHFFFAOYSA-N 435.827 3.862 0 40 IHAB CC(=O)Nc1ccc(C(=O)N/C(=C\c2ccccc2)C(=O)Nc2cccc(C(=O)O)c2)cc1 9272231 FFOQTMKAYUUZBS-HMAPJEAMSA-N 443.459 3.753 0 40 IHAB CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1-c1ccc2c(c1)OCO2 9290021 CIBPTDBCAMJLJN-UHFFFAOYSA-N 426.498 3.742 0 40 IHAB COc1ccc(C(=O)CSc2nnc(COc3ccc(C)cc3OC)n2C)cc1OC 9303813 FWKCUVMLZGKVBN-UHFFFAOYSA-N 443.525 3.703 0 40 IHAB COC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2)cc1 9467498 XFBHYDGMGQEXFU-UHFFFAOYSA-N 440.477 3.535 0 40 IHAB COCCn1c(SCC(=O)Nc2ccc(C)cc2)nc2sc3c(c2c1=O)CCC3 9568709 FKDYJVQAUXFUII-UHFFFAOYSA-N 429.567 3.632 0 40 IHAB CN(C)S(=O)(=O)c1cccc(C(=O)N(CCc2ccccc2)Cc2cccs2)c1 9640524 HAKKDHSUJYAMBG-UHFFFAOYSA-N 428.579 3.884 0 40 IHAB COc1cc2c(cc1OC)CN(C(=O)Cn1c(-c3cscn3)nc3ccccc31)CC2 9731322 YXULURSGCSHMOD-UHFFFAOYSA-N 434.521 3.762 0 40 IHAB O=C1c2ccccc2C(=O)N1CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 9884055 FZBIVUCLFPDITE-IBGZPJMESA-N 433.851 3.907 0 40 IHAB CC[C@@H](C)NC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Br)cc1 10119444 ZNVVSYMSHUYPFP-CYBMUJFWSA-N 437.359 3.729 0 40 IHAB COCCN1C(=O)N[C@@H](c2cccc(Cl)c2Cl)C(C(=O)Nc2cc(C)on2)=C1C 11202312 BGSXLJYYYIYNFJ-KRWDZBQOSA-N 439.299 3.915 0 40 IHAB Cc1ccc(-c2nc(SCC(=O)N3CCCC3)c(S(=O)(=O)c3ccccc3)[nH]2)cc1 11695915 FBCPMLSLSZJTOH-UHFFFAOYSA-N 441.578 3.932 0 40 IHAB O=C(CSc1ncnc2c1nnn2-c1ccccc1)N1CCC(Cc2ccccc2)CC1 11758568 YVNIGQXPFXTXKY-UHFFFAOYSA-N 444.564 3.784 0 40 IHAB CCc1cc2c(C)cc(=O)oc2cc1OC(=O)CCCNS(=O)(=O)c1ccc(C)cc1 11866758 URHIWMYQIHDCJC-UHFFFAOYSA-N 443.521 3.636 0 40 IHAB Cc1ccccc1-n1ncc2c(C(C)C)nn(CC(=O)N3CCCc4ccccc43)c(=O)c21 12229051 ZHEVYKGZCRMYDE-UHFFFAOYSA-N 441.535 3.993 0 40 IHAB O=C(NCC1(c2ccccc2)CCC1)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 12581371 FPOLDIWDODUYTQ-XMHGGMMESA-N 438.593 3.937 0 40 IHAB Cn1cccc1C(=O)NC(=O)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 12690694 YBWXYHKJLJOFNX-UHFFFAOYSA-N 442.556 3.758 0 40 IHAB Cc1cc(=O)c(C(=O)Nc2ccccc2C(=O)N2CCCCC2)nn1-c1ccccc1F 12766415 LONLCWGKYUNUDF-UHFFFAOYSA-N 434.471 3.558 0 40 IHAB COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)NC1CCC(C)CC1 12785004 DCMZIZCQWUFAMI-UHFFFAOYSA-N 428.554 3.755 0 40 IHAB Cc1c(Cl)cccc1NC(=O)CN1C(=O)C(C)(C)Oc2ccc(C(=O)NC(C)C)cc21 12875839 IKTUQMYOBQYFTL-UHFFFAOYSA-N 443.931 3.929 0 40 IHAB O=C(c1cccc(CN2C(=O)c3ccccc3C2=O)c1)N1CCN(c2ccc(F)cc2)CC1 13097254 HPUWLEBHVXBTNR-UHFFFAOYSA-N 443.478 3.584 0 40 IHAB CC[C@H](C(=O)NCc1ccc(Cl)cc1Cl)N(c1ccc(F)cc1)S(C)(=O)=O 13715364 IAOZSPWRPPMBBB-QGZVFWFLSA-N 433.332 3.994 0 40 IHAB COCCNC(=O)Cc1ccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)cc1 13717075 APLPAYBXYIFILM-UHFFFAOYSA-N 427.888 3.861 0 40 IHAB CCCCOc1ccccc1/C=c1\sc2nc(-c3ccc(OC)c(OC)c3)nn2c1=O 13757882 ZKTRVYJARXMDAU-ZHZULCJRSA-N 437.521 3.562 0 40 IHAB CN(Cc1ccccc1NCC(=O)Nc1ccccc1S(C)(=O)=O)C1CCCCC1 15322865 OOLAGTDZTKMERX-UHFFFAOYSA-N 429.586 3.905 0 40 IHAB Cc1cccc(C)c1NC(=O)C(=O)NC[C@@H](c1cccnc1)N1CCc2ccccc2C1 15882592 AAXSZEGPMGHIOX-QHCPKHFHSA-N 428.536 3.553 0 40 IHAB COc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1 15985516 BOEJOWAISQEJBL-UHFFFAOYSA-N 444.597 3.680 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)Cn1cnc2c(oc3ccccc32)c1=O 16101859 DEMIPRIHNDHOIA-UHFFFAOYSA-N 441.491 3.604 0 40 IHAB COc1ccccc1N1CCN(C[C@H](O)COc2ccc(C3CCCCC3)cc2N)CC1 16248069 KHHIVPICUHVJBC-QFIPXVFZSA-N 439.600 3.887 0 40 IHAB CC(=O)Nc1cccc(NC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)c1 16838128 JCPWYGVPIXEWBA-FQEVSTJZSA-N 429.542 3.525 0 40 IHAB COCC(=O)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2cnc(-c3ccccc3C)nc2)C1 19237553 WYWPOPFFKUAXBD-SQJMNOBHSA-N 445.567 3.563 0 40 IHAB O=C(C1CCCCC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(Cc1ccccc1F)C2 19349400 JVZMCBPPENKSAG-QFIPXVFZSA-N 438.547 3.711 0 40 IHAB CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CCCN(C(=O)[C@@H]2CCCO2)C1 19448767 GDDJSQDHCBYWRW-JYFHCDHNSA-N 435.568 3.604 0 40 IHAB CSCC[C@@H](NC(=O)c1cc2cc(F)ccc2[nH]1)c1cc(=O)[nH]c(-c2ccccn2)n1 19573895 XWULIOAGMQTIPM-MRXNPFEDSA-N 437.500 3.677 0 40 IHAB CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CCN(Cc3ccccc3Cl)C2)n1 19694748 HFTBJMTZLOWLOG-IBGZPJMESA-N 435.959 3.951 0 40 IHAB COCc1cc(CN2CC[C@@H](c3nc(C)c4c(n3)N(C)C(=O)CC4)C2)ccc1OC(C)C 19739004 HMVKPFWEMKBSKP-LJQANCHMSA-N 438.572 3.617 0 40 IHAB CCn1c(Cc2ccc(OC)c(OC)c2)nnc1SCC(=O)N(C)c1ccccc1 19929437 OTODGVDHGONLGA-UHFFFAOYSA-N 426.542 3.661 0 40 IHAB CCOC(=O)C1CCN([C@H](c2ccc(F)cc2)c2sc3nc(CC)nn3c2O)CC1 22853494 LVXDVMFZADXNKC-QGZVFWFLSA-N 432.521 3.562 0 40 IHAB Cc1cccc(NC(=O)CN2CCN(Cc3nc(-c4ccccc4Cl)no3)CC2)c1C 22935152 OYTUHQIGGYPTSV-UHFFFAOYSA-N 439.947 3.763 0 40 IHAB CC(C)(C)c1ccc(OCCC(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 23080011 QJYBANGDYIBJLY-UHFFFAOYSA-N 440.540 3.772 0 40 IHAB Cc1nc(COc2ccccc2C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)cs1 23989948 CEQOGGRWHHAZDY-UHFFFAOYSA-N 449.576 3.923 0 40 IHAB Cc1nc(-c2ccc(CCNC(=O)CN3C(=O)CCOc4ccccc43)s2)cs1 24239053 HHTCFRULMLAISG-UHFFFAOYSA-N 427.551 3.654 0 40 IHAB CCOC(=O)Cc1nnc(SCc2noc(-c3ccc(C)cc3)n2)n1Cc1ccco1 25581542 RDUZOUDXUXEDQO-UHFFFAOYSA-N 439.497 3.676 0 40 IHAB CCc1nn2c(=O)cc(CNc3ccccc3C(=O)N[C@@H](C)c3ccccc3)nc2s1 25716473 VRFBJYFITVODDZ-HNNXBMFYSA-N 433.537 3.817 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)Nc3ccc(NC(N)=O)cc3)cc2)c1 25879489 CRNWAHSICLGXJB-UHFFFAOYSA-N 439.493 3.814 0 40 IHAB Cc1cc(C)c2nc(NC(=O)c3nn([C@@H]4CCS(=O)(=O)C4)c4c3CCCC4)sc2c1 27985839 CDKSHJGAJPPLDI-CQSZACIVSA-N 444.582 3.600 0 40 IHAB Cc1nc(C2(NC(=O)CCCNC(=O)C34CC5CC(CC(C5)C3)C4)CCCCC2)no1 29059039 NUNGJAIXKGROHU-UHFFFAOYSA-N 428.577 3.766 0 40 IHAB O=C(c1ccc(Cl)cc1)N1CCC(C(=O)N2CCC[C@@H]2c2nnc3ccccn23)CC1 29072343 GYGGUVVVWCRJFN-LJQANCHMSA-N 437.931 3.599 0 40 IHAB COc1cc2c(cc1OC)-c1c(c(C(=O)N3CCSCC3)nn1-c1ccccc1F)C2 32070158 FYOPPYVRHNTZSE-UHFFFAOYSA-N 439.512 3.789 0 40 IHAB Cc1ccc(Cn2cc(C(=O)NCCC(=O)N3CCCC3)c(-c3ccc(C)cc3)n2)cc1 32747564 VZJCQCOMUBEPAO-UHFFFAOYSA-N 430.552 3.958 0 40 IHAB COc1ccc(-c2nc(C)c(C(=O)Nc3ccc4c(c3)NC(=O)CO4)s2)cc1OC 32768840 QRFCLWKLAPXHPV-UHFFFAOYSA-N 425.466 3.719 0 40 IHAB COc1ccc(-c2cc(C(=O)N3CCN(Cc4ccccn4)CC3)c3c(C)noc3n2)cc1 36613850 XISCIXLGVHUXAD-UHFFFAOYSA-N 443.507 3.560 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2c(F)cccc2F)cc1Cl 39986515 SSTUKUUZSIEWFJ-UHFFFAOYSA-N 432.876 3.666 0 40 IHAB CSc1ncc(C(=O)N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)n1-c1ccccc1 40089580 CSAUXBANQNWHTB-KRWDZBQOSA-N 426.586 3.705 0 40 IHAB C[C@H](NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1)c1ccc(S(C)(=O)=O)cc1 44857123 ZMZOHKFSQLMFBO-INIZCTEOSA-N 434.989 3.833 0 40 IHAB O=C1N[C@H](c2cccc(C(F)(F)F)c2)[C@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1 57531293 WRFPKUKAJNLGHY-JMSVASOKSA-N 438.349 3.871 0 40 IHAB O=S(=O)(N[C@H]1CCCC[C@H]1N1CCN(c2cccc(Cl)c2)CC1)c1ccccc1 58085771 MBKJPVCOWJBZMX-FCHUYYIVSA-N 434.005 3.752 0 40 IHAB COc1cc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)cc(I)c1O 59484466 PNNJVXRAQSIEFL-ZSOIEALJSA-N 435.217 3.658 0 40 IHAB CCOc1ccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)c2ccc(OC)cc2)cc1 59502301 RJNVEWIPYCGYPG-UHFFFAOYSA-N 430.460 3.994 0 40 IHAB Cc1cc2nn(CC(=O)Nc3ccc(F)cc3)c(=O)n2c(-c2ccc(C(F)(F)F)cc2)n1 65196560 XYYXVYUHIFGSDJ-UHFFFAOYSA-N 445.376 3.663 0 40 IHAB Cc1cc(-c2cnc(N3CCC(C)CC3)nc2C2CCN(C(=O)[C@H]3CCCO3)CC2)on1 72335877 ZFSXYHCANMLVSI-HXUWFJFHSA-N 439.560 3.561 0 40 IHAB Cc1nn(Cc2ccccc2)c(C)c1CN1CCc2nc(-c3ccccn3)nc(O)c2C1 72339892 FPBLIEWWJDZLIT-UHFFFAOYSA-N 426.524 3.664 0 40 IHAB COc1cc2c(cc1OC)[C@H]1c3ccccc3N(CC(=O)NC3CCCC3)C(=O)N1CC2 72342067 TYVKCNVEFHOFSM-XMMPIXPASA-N 435.524 3.650 0 40 IHAB O=C(CN1CCC[C@@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1)N1CCOCC1 72348726 WGFZRAAQSXMCGY-GOSISDBHSA-N 433.474 3.806 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(c3cccc(Nc4nnc(C)s4)n3)CC2)cc1 72376146 CZADWEOUCTWEBV-UHFFFAOYSA-N 445.570 3.562 0 40 IHAB CCCN1C[C@@H](C(=O)N2CCc3nc(-c4cccc(C(F)(F)F)c4)sc3C2)CC1=O 72392053 LKDCCISRAZWINC-AWEZNQCLSA-N 437.487 3.972 0 40 IHAB COc1ncc([C@@]2(O)CC[C@@H]3CN(Cc4cc(C(C)(C)C)ccc4OC)C[C@@H]32)c(OC)n1 72395404 QAXJRDVKFFXARX-BXEPQMNJSA-N 441.572 3.530 0 40 IHAB CC(C)C(=O)Nc1ccc(S(=O)(=O)NCC[C@H](O)c2cccc3ccccc23)cc1 77118164 QSOVZGSJGLVCEM-QFIPXVFZSA-N 426.538 3.836 0 40 IHAB CCOC(=O)C[C@@H](C)CNC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 89983633 PMNOSDACLXBVMK-HIFRSBDPSA-N 429.344 3.551 0 40 IHAB O=C(NCCCn1ccnc1-c1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 90583510 GVHSYNLOKOCKJI-UHFFFAOYSA-N 432.402 3.594 0 40 IHAB Cc1cc(C(=O)N2CC[C@@]3(C2)c2ccccc2S(=O)(=O)N3CC2CC2)ccc1Cl 96143042 WISGEHYYWBHCOX-JOCHJYFZSA-N 430.957 3.804 0 40 IHAB COc1ccc2c(c1Oc1nnnn1-c1ccccc1)[C@@]13C=CC=C[C@@H]1[C@H](C2)N(C)CC3 100393801 LESJUFQCEZICRC-OHUGHZGNSA-N 427.508 3.703 0 40 IHAB biogenic,in-vitro COc1ccc(-n2nc3c4cc(C(=O)NCc5ccccc5F)ccc4[nH]cc-3c2=O)cc1 101281844 QJDUPVTYEMCQNM-UHFFFAOYSA-N 442.450 3.896 0 40 IHAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 103505248 GDICJEDWBSWSJM-HHMKSANPSA-N 440.543 3.741 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(F)c2)c2ccc(F)cc2)cc1 113937197 GWTFPORMMOKCBF-UHFFFAOYSA-N 432.448 3.807 0 40 IHAB COC(=O)[C@H]1C[C@@]2(O)[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1c1ccc(=O)oc1 118928495 FCBMOZHERSIGKF-DJFHLEJZSA-N 444.568 3.641 0 40 IHAB COc1ccc(C)cc1N([C@@H](C)C(=O)Nc1ccccc1C(F)(F)F)S(C)(=O)=O 220334083 NPEXKVWUJKDQBZ-ZDUSSCGKSA-N 430.448 3.816 0 40 IHAB COc1ccc(CNC(=O)[C@@H](C)N(Cc2ccccc2)C(=O)COc2ccccc2)cc1 222773849 MRPWFAJFLJQYQA-HXUWFJFHSA-N 432.520 3.808 0 40 IHAB CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccc(F)cc1 223030975 ZLAOEJLCGVMKEX-CQSZACIVSA-N 437.309 3.520 0 40 IHAB COc1ccc(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)CC3)cc1OC 223100904 QWEZRPJXVZPCME-UHFFFAOYSA-N 429.270 3.590 0 40 IHAB CC[C@@H](NC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1)c1ccc(OC)c(C)c1 223941446 WNBPKNCNUCHBEC-OAQYLSRUSA-N 430.570 3.810 0 40 IHAB CCOc1ccc(CNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)cc1 223961569 GVTLOAITKYWHIY-UHFFFAOYSA-N 428.485 3.955 0 40 IHAB CC[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)COc1ccc(OC)cc1 224603808 FQMZHBMPWZKLDB-XMMPIXPASA-N 438.568 3.983 0 40 IHAB CC[C@@H](C(=O)Nc1nnc(SCC(C)C)s1)N(c1ccc(F)cc1)S(C)(=O)=O 225191294 SCIODWBOHODHKJ-AWEZNQCLSA-N 446.595 3.609 0 40 IHAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(c2cc(C3CC3)nn2C)CC1 225569561 DIIFLASCZAXBQA-UHFFFAOYSA-N 425.920 3.877 0 40 IHAB COc1ncc([C@]2(O)CCC[C@H]3CN(Cc4c(Cl)cccc4Cl)C[C@H]32)c(OC)n1 247814669 AOOHBQGNRSBNOQ-CQURBHOASA-N 438.355 3.920 0 40 IHAB Cc1csc(Nc2cccc([C@@H]3CN(S(=O)(=O)c4ccc(C)c(F)c4)CCO3)n2)n1 257312546 UOLLVCHCVVAZNP-SFHVURJKSA-N 448.545 3.800 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)c3ccc(F)cc3)C2)cc1Cl 260728275 AGEJQJJJKXKMSU-AWEZNQCLSA-N 440.924 3.551 0 40 IHAB Fc1c(Br)cc(I)cc1I 307448688 MEDZMHHPZGLOGE-UHFFFAOYSA-N 426.792 3.797 0 40 IHAB CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(Br)c2)cc1 408533893 RGZWOSHHJLUBRK-UHFFFAOYSA-N 441.347 3.545 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3CC)C2)cc1C 408558682 SNNXHABURKTQCG-IBGZPJMESA-N 430.570 3.996 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1C(=O)NCC(C)C 408584128 LWHAMRKFBSKFMP-UHFFFAOYSA-N 425.348 3.944 0 40 IHAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccncc3)c(Cl)c2)cc1 408593314 NHEOHQMNRQQLTO-UHFFFAOYSA-N 445.928 3.539 0 40 IHAB Cc1c(Cl)cccc1NC(=O)c1cc2cc(Cl)ccc2n1NC(=O)C(=O)NC1CC1 408608777 PRHSSRXCWBMCRK-UHFFFAOYSA-N 445.306 3.858 0 40 IHAB CCOc1ccc(NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 408621796 OFZSMKUZEKVPID-UHFFFAOYSA-N 431.341 3.792 0 40 IHAB CCn1c(CNC(=O)c2ccc(C)cc2)nnc1SCC(=O)Nc1cc(C)ccc1C 409338302 HMBWWKCGRNBPMP-UHFFFAOYSA-N 437.569 3.884 0 40 IHAB CCc1ccc(OCc2nnc(SCC(=O)Nc3ccc(C(=O)OC)cc3)o2)cc1 409344305 IVFFHEUWCOSGFL-UHFFFAOYSA-N 427.482 3.728 0 40 IHAB O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)N1CCC[C@H](c2nnc3n2CCC3)C1 512501523 KVYWFFWOWBMRFV-AWEZNQCLSA-N 445.449 3.840 0 40 IHAB CN(C)CCN(Cc1ccccc1)C(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O 603769895 ZOZBEXRUEPUVBJ-FQEVSTJZSA-N 448.489 3.584 0 40 IHAB COc1ccc(C(=O)N2CN(CCCN3CCOCC3)Cc3c2sc(C)c3C)cc1 938019 BFVYXCJXKDLLBJ-UHFFFAOYSA-N 429.586 3.516 0 40 IHAB COC(=O)C1=C(C)N=c2s/c(=C\c3cccs3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 6461705 GKTLXYHFVCTQGI-JKALPCAWSA-N 438.574 3.593 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]3CCCN3[C@]23C(=O)Nc2c3ccc(C)c2C)cc1 8876783 CZPABDAHSHILDK-UTAZYMRLSA-N 447.535 3.751 0 40 IHAB biogenic Cc1cc(C)cc(N2CCCn3c2nc2c3c(=O)n(Cc3cc(C)ccc3C)c(=O)n2C)c1 9015387 WDIAWVIENKZIBQ-UHFFFAOYSA-N 443.551 3.720 0 40 IHAB Cc1sc2nc(S[C@@H](C)C(=O)NC[C@H]3CCCO3)n(C3CCCC3)c(=O)c2c1C 9119616 DOAKAYHUKYMERC-GOEBONIOSA-N 435.615 3.966 0 40 IHAB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)COC(=O)c1ccccn1 9588262 GYKLXGLVDSBSDW-UHFFFAOYSA-N 428.441 3.921 0 40 IHAB CCCCCC(=O)Nc1ccc(C(=O)COC(=O)c2ccc(S(C)(=O)=O)cc2)cc1 9789290 DUROYWWMGOUQNE-UHFFFAOYSA-N 431.510 3.649 0 40 IHAB CCCOC(=O)c1cc(NC(=O)c2ccc(Br)o2)ccc1N1CCOCC1 9907818 SKDPUZOHCPEZNU-UHFFFAOYSA-N 437.290 3.698 0 40 IHAB Cc1cccc(CCCNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c1 10110710 BEJAIVSKFYXFAK-UHFFFAOYSA-N 429.369 3.817 0 40 IHAB CCOc1ccc(C(=O)C2=C(C(=O)OC)Nc3nnnn3[C@H]2c2ccc(C(C)C)cc2)cc1 10232122 VCLGBVNWMIRXHV-NRFANRHFSA-N 447.495 3.520 0 40 IHAB Cc1ccc(N(CCCC(=O)Nc2ccccc2C(=O)NC(C)C)S(C)(=O)=O)cc1C 10336435 KHKRHAHWPYBCJY-UHFFFAOYSA-N 445.585 3.627 0 40 IHAB CN1CCN(c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 10762236 IHEYEPCAENKEAO-UHFFFAOYSA-N 433.883 3.911 0 40 IHAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CCCn1cnc2c(C)cccc2c1=O 10764167 DJRVEPOPGCMOEF-UHFFFAOYSA-N 443.551 3.663 0 40 IHAB COCCOc1ccc(CN2CCC[C@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)cc1 12182128 ZCSLPULBGDLFEU-YTQUADARSA-N 439.482 3.503 0 40 IHAB COc1cccc2cc(C(=O)N3CCC(O)(Cn4ccc5ccncc54)CC3)c(C)nc12 12222768 USBNJQNWSOXMAH-UHFFFAOYSA-N 430.508 3.569 0 40 IHAB O=C1CCCN1c1ccc(S(=O)(=O)N[C@@H](Cc2ccsc2)c2cccnc2)cc1 12228766 VHFXKPICVHDEJM-FQEVSTJZSA-N 427.551 3.532 0 40 IHAB O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2F)c1)c1ccc2c(c1)OCCO2 12566425 AXYANQUWMQZIIR-UHFFFAOYSA-N 428.441 3.650 0 40 IHAB COc1ccc(CCN(CC(=O)NC2CCCC2)C(=O)c2ccc(C)s2)cc1OC 12645518 FUCGRWONBJVACK-UHFFFAOYSA-N 430.570 3.817 0 40 IHAB CCOC(=O)c1sc(-c2ccc(OC)cc2)cc1NC(=O)c1nc2nccc(C)n2n1 12761242 ILHYFPMYISSLRB-UHFFFAOYSA-N 437.481 3.599 0 40 IHAB Cc1cc(Br)ccc1NC(=O)CNC(=O)CSc1cnc2ccccc2n1 12766039 QVMLQGIVCHQMRX-UHFFFAOYSA-N 445.342 3.548 0 40 IHAB COc1cccc(C(=O)NCC(=O)NCc2ccc(-c3ccc(Br)cc3)o2)c1 12881923 SUBZMGZBCOXXQD-UHFFFAOYSA-N 443.297 3.764 0 40 IHAB CS(=O)(=O)NCCc1ccc(C(=O)Nc2nc(-c3ccccc3Cl)cs2)s1 12883418 QGHLDEZWOJARMG-UHFFFAOYSA-N 441.987 3.869 0 40 IHAB COc1ccc(S(=O)(=O)CCC(=O)/N=c2/sc3ccc4ccccc4c3n2C)cc1 13036559 MJLZBLZNFQKJLI-GHVJWSGMSA-N 440.546 3.693 0 40 IHAB Nn1c(Cc2cccc3ccccc23)nnc1S[C@@H](C(=O)NC1CC1)c1ccccc1 13119794 ILTSTCSLAKJGPL-JOCHJYFZSA-N 429.549 3.848 0 40 IHAB Cc1ccc(S(=O)(=O)N(CCc2ccccc2)Cc2nc3ccccc3c(=O)[nH]2)cc1 13502703 SGMIKMPREOVJBE-UHFFFAOYSA-N 433.533 3.665 0 40 IHAB COc1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)c(OC)c1OC 14230501 YUPBVAIADNYWSC-UHFFFAOYSA-N 448.541 3.529 0 40 IHAB CC(C)(C)OC(=O)N1CCC[C@H]1CN(CC(=O)O)C(=O)OCc1ccccc1Cl 14632713 NHIFBGLYAQAGFB-HNNXBMFYSA-N 426.897 3.763 0 40 IHAB COc1ccccc1[C@@H](C)NC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 15472081 IQOPOUBGIFZUIL-GOSISDBHSA-N 430.570 3.680 0 40 IHAB CCCCN1C(=O)CC[C@H](C(=O)OCc2ccc(C(N)=O)cc2)[C@@H]1c1ccc(OC)cc1 16563699 MRZJVXBNXXTGIM-GMAHTHKFSA-N 438.524 3.617 0 40 IHAB CC(C)CC(=O)NC(=S)Nc1c(Br)cc(Br)cc1C(=O)O 16575025 IGOVZDFALGTTIR-UHFFFAOYSA-N 438.141 3.769 0 40 IHAB CC(C)c1nnc(NC(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccc(Cl)cc34)C2)s1 17945972 AMOGBGJHRBHSPG-CYBMUJFWSA-N 431.949 3.826 0 40 IHAB CCCN1CCN(C(=O)c2cn(C)cn2)C[C@@H](Cc2ccc(-c3ccccc3)cc2)C1=O 19502715 ICIOFQVZGDTDME-HSZRJFAPSA-N 430.552 3.640 0 40 IHAB CCNC(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCCN(C(=O)c2cnccn2)C1 19528712 AXHDWEHTXWSMKT-AREMUKBSSA-N 428.536 3.745 0 40 IHAB CN(C)c1nc2ccccc2cc1CN1CCO[C@@H](c2ccc(-c3cncnc3)cn2)C1 19692437 ANLLYGRATNGKFV-XMMPIXPASA-N 426.524 3.726 0 40 IHAB Cc1c(C(=O)N2CCC([C@]3(C)CCCCN(CCc4ccccc4)C3=O)CC2)cnn1C 19744122 UTIRLCTYPRHACF-SANMLTNESA-N 436.600 3.842 0 40 IHAB CCC(=O)Nc1cc(S(=O)(=O)N[C@H](C)c2cccc(Br)c2)ccc1OC 20025249 KMJAGUDZNIBXTP-GFCCVEGCSA-N 441.347 3.846 0 40 IHAB Cn1c(CN2CCN(C(=O)C3CCCCC3)CC2)nc2cc(NC(=O)c3ccco3)ccc21 20591745 FCZURNFPIUNTNA-UHFFFAOYSA-N 449.555 3.643 0 40 IHAB COc1ccc(CNCc2ccc(OCc3nnnn3-c3ccc(C)cc3)c(OC)c2)cc1 22108344 GOWCHNLMBWMXAY-UHFFFAOYSA-N 445.523 3.857 0 40 IHAB CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCC(C)CC2)cc1C 22247365 YFYCTZFREXWOKS-JOCHJYFZSA-N 444.597 3.542 0 40 IHAB CCN(c1cc(OC)c(OC)cc1C(=O)Nc1cccc(C(F)(F)F)c1)S(C)(=O)=O 22252004 GGBZFFHYIZHJCO-UHFFFAOYSA-N 446.447 3.761 0 40 IHAB COc1cc(-c2nnc(NC(=O)COc3ccc(C(C)C)cc3)o2)cc(OC)c1OC 22807964 ZTBXYSRHIMAPIP-UHFFFAOYSA-N 427.457 3.903 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NCc1nc(-c2ccco2)no1 23004125 QCPHEDIOKXBJIL-UHFFFAOYSA-N 432.502 3.515 0 40 IHAB O=C(Nc1ccc(F)c(Cl)c1)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 24612907 MOFFCZCHHPQJCM-UHFFFAOYSA-N 428.888 3.799 0 40 IHAB Cc1ccnn1-c1ccc(C(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1 24775906 MFHCFTIVRHYGNM-UHFFFAOYSA-N 436.493 3.505 0 40 IHAB CCN(CC)C(=O)COc1ccc(NC(=O)CNC(=O)Nc2cccc(C)c2)cc1Cl 25123940 FQGFUXJWZCATFK-UHFFFAOYSA-N 446.935 3.656 0 40 IHAB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCCSCc2ccco2)c1 31252590 SXBXMSIRGFXMHP-UHFFFAOYSA-N 430.551 3.768 0 40 IHAB O=C(Cn1c(=O)cnc2ccccc21)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 32745115 NXXHZTKVAVPVRV-UHFFFAOYSA-N 432.867 3.941 0 40 IHAB COc1ccc(/C=C2/SC(=O)N(CCNC(=O)COc3ccccc3Cl)C2=O)cc1 33477484 CCNSOFGLNRWKCO-LDADJPATSA-N 446.912 3.580 0 40 IHAB NC(=O)[C@@H]1CCCCN1CC(=O)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccccc1 36389882 CGBDDCGPZCYWCG-DQEYMECFSA-N 440.547 3.857 0 40 IHAB CCOC(=O)Cc1ncccc1C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 40081558 FOTRXEOIMQUFEJ-GHMZBOCLSA-N 426.357 3.827 0 40 IHAB Cc1ccccc1C(=O)Nc1ccccc1C(=O)OCc1cc(=O)n2c(C)csc2n1 41085930 TXYNUIXXEBWADA-UHFFFAOYSA-N 433.489 3.982 0 40 IHAB CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(C(=O)OCc3ccccc3)cc2)C[C@H]1C(=O)O 42783192 HOWFOCUHBKIWEG-PMACEKPBSA-N 441.480 3.885 0 40 IHAB in-vitro Cc1cccc(C(C)C)c1NC(=O)CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 45312511 RMDDIROOCFPPFK-SFQUDFHCSA-N 441.597 3.675 0 40 IHAB C[C@@H](C(=O)Nc1ccccc1N1CCCC1=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 48261282 NKUMNROOTGMRFJ-KKSFZXQISA-N 427.932 3.867 0 40 IHAB COC(=O)c1ccc(S(=O)(=O)Nc2cc(C)nn2-c2ccccc2C(F)(F)F)cc1 58404686 VMTWBXVAVGFKEX-UHFFFAOYSA-N 439.415 3.787 0 40 IHAB CCOc1ccccc1OCCCC(=O)N[C@@H](C)CN1CCN(c2ccccc2)CC1 72295381 CJJMXIAOAPHDJI-NRFANRHFSA-N 425.573 3.571 0 40 IHAB CCOC(=O)[C@]1(Cc2cc(-c3cccc(F)c3)no2)CCCN(C(=O)c2ccccn2)C1 72394102 CKGKNSMQSWBKBT-DEOSSOPVSA-N 437.471 3.904 0 40 IHAB CCN(Cc1ccccc1)C(=O)c1cc(-c2cnc(N3CCOCC3)nc2)cn1CC1CC1 96037699 QULWQCIWHSXTFF-UHFFFAOYSA-N 445.567 3.854 0 40 IHAB O=S(=O)(NCCn1nc(-c2ccncc2)cc1C1CC1)c1cccc(C(F)(F)F)c1 96121682 ZREGDDDXHHDALK-UHFFFAOYSA-N 436.459 3.820 0 40 IHAB CN(C)c1ncc(-c2ccccn2)c([C@H]2CC[C@H](CNC(=O)CC[C@H]3CCCO3)CC2)n1 100152683 IVRGWDQNZRCPCS-HSALFYBXSA-N 437.588 3.954 0 40 IHAB Cc1ccc2c(c1)[C@H](NC(=O)C1CCN(S(=O)(=O)c3cccs3)CC1)CC(C)(C)O2 219256943 LGYLKFIGUDTKHP-GOSISDBHSA-N 448.610 3.876 0 40 IHAB Cc1ccc([C@H](NC(=O)CN(Cc2ccccc2F)S(C)(=O)=O)c2ccccc2)cc1 222585621 IMASGLSUXHMNIW-XMMPIXPASA-N 440.540 3.802 0 40 IHAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)COc1ccc(OC)cc1 224555253 CNZSRRHBUMDOAU-HSZRJFAPSA-N 426.557 3.962 0 40 IHAB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1F 224908224 VFBBGDXDGRWBRD-NRFANRHFSA-N 430.520 3.793 0 40 IHAB CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1c(F)cccc1Cl 225469786 LFPQSLKYDXYBEY-LBPRGKRZSA-N 441.728 3.947 0 40 IHAB CC1(C)Oc2c(O)cccc2[C@@H]2O[C@@H]3CCN(Cc4ccc(OCC(=O)O)cc4)[C@@H]3C[C@H]21 257248751 JFAGALMBWQEYSW-ZNTQHIFFSA-N 439.508 3.747 0 40 IHAB O=C(c1ccccc1OCCN1CCOCC1)N1CC[C@H](Cc2cccc3ncccc23)C1 257309488 UBDFPQFRZFDMGP-OAQYLSRUSA-N 445.563 3.651 0 40 IHAB O=C(COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)Nc1c(F)cccc1F 408533112 PTLNBVKLHQHOMS-UHFFFAOYSA-N 436.411 3.922 0 40 IHAB Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)Nc1ccc(C(F)(F)F)cc1 408534699 UDKQCDHMLDGRMV-UHFFFAOYSA-N 430.448 3.718 0 40 IHAB Cc1cc(C)cc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)c1 408654939 HABZAVSCLWTCHL-SFTDATJTSA-N 432.476 3.555 0 40 IHAB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1)Nc1cccc(Cl)c1 408665263 RFBRZZIOBGIYNM-KDURUIRLSA-N 438.867 3.591 0 40 IHAB Cc1ccccc1CSCCNC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 409026351 MLNUMXRBFXSDAE-UHFFFAOYSA-N 434.627 3.934 0 40 IHAB CC(C)(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCC(Cc3ccccc3)CC2)cc1 409205369 BTQYWIGWCKGJCF-UHFFFAOYSA-N 444.597 3.624 0 40 IHAB CCc1c(C)sc2nc(SCC(=O)NCC3CCC3)n(C[C@@H]3CCCO3)c(=O)c12 518687820 GKCNJXQNBQFEII-HNNXBMFYSA-N 435.615 3.516 0 40 IHAB O=S(=O)(Cc1ccc(C(F)(F)F)cc1)N1CCC[C@H](Oc2ncc(Cl)cn2)C1 575610771 YPNHPVWEICQRNE-HNNXBMFYSA-N 435.855 3.522 0 40 IHAB O=C(Nc1nc(O)c2ccccc2n1)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1 589973971 IANJGVJZLAFRPN-QGZVFWFLSA-N 426.476 3.980 0 40 IHAB CC1CCC(C(=O)N[C@@H](CCCCCCCCCN)C(=O)N[C@H](C)CCC(=O)O)CC1 1505840719 WFZVLGITDCKVQE-KOQKOIQBSA-N 439.641 3.747 0 40 IHAB C[C@@]1(C(=O)c2ccccc2)[C@@H]2c3c(ccc4ccccc34)OC(=O)[C@@]21C(=O)N1CCOCC1 1113483 KGGKQXXXUWSSQX-CAVYSCNFSA-N 441.483 3.590 0 40 IHAB Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3nnnn3Cc3ccco3)C3CCCC3)cc12 1373139 APPNXASPMDMUDW-UHFFFAOYSA-N 432.528 3.718 0 40 IHAB COc1cc(-c2nc(S(=O)(=O)c3ccc(C)cc3)c(N(C)C)o2)cc(OC)c1OC 3285862 IYYYQROVXNWBLU-UHFFFAOYSA-N 432.498 3.575 0 40 IHAB O=C(COC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)Nc1ccc(N2CCOCC2)cc1 3296287 ZDANHJKFDHACIJ-UHFFFAOYSA-N 433.508 3.679 0 40 IHAB O=C(CNc1cccc(C(F)(F)F)c1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 3487003 VGWVOVKUAPDNMN-UHFFFAOYSA-N 427.448 3.541 0 40 IHAB Cc1cccc(C)c1O[C@H](C)C(=O)NC[C@@H](C)NC(=O)[C@@H](C)Oc1c(C)cccc1C 8163785 GZYXHVUWYJISGZ-NJDAHSKKSA-N 426.557 3.776 0 40 IHAB Cc1cc(C)c(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(OC(F)F)cc3)C2=O)c(C)c1 8937352 SJVXJJCLEVUBEH-QFIPXVFZSA-N 431.439 3.619 0 40 IHAB CC(C)C[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)NCc1ccccc1Cl 9130520 LTBBHYIJZVQMFX-IBGZPJMESA-N 439.947 3.950 0 40 IHAB CCCc1nnc2n1N[C@H](c1ccc(F)cc1)[C@H](C(=O)Nc1cccc(OC)c1)S2 9239225 LKDRSZWOVUMVKH-RTBURBONSA-N 427.505 3.776 0 40 IHAB C[C@@H](NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1)c1ccc2c(c1)OCO2 9256248 QQECNSAYEICIQV-OAHLLOKOSA-N 436.537 3.902 0 40 IHAB Cc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3cc(Cl)ccc3C)n2C)c1 9305568 ZUZNICFZQDMNGZ-UHFFFAOYSA-N 443.960 3.746 0 40 IHAB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(C(=O)O)cc4)[C@@H]3C2=O)cc1 9307237 OQASDXQACGOCDP-BDTNDASRSA-N 428.444 3.744 0 40 IHAB COc1ccc2c(c1)O[C@]1(C)C[C@H]2[C@H](S(=O)(=O)c2ccc(C(C)(C)C)cc2)C(=O)N1 9407636 PGXHVZQBJKTZML-QMHWCDLVSA-N 429.538 3.547 0 40 IHAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CSc1nnc(C2CC2)n1N 9509276 NLBARCSBNVIENH-UHFFFAOYSA-N 443.554 3.505 0 40 IHAB COc1cc2nc(SCC(=O)Nc3ccc(C)cc3C)n3nc(C)nc3c2cc1OC 9838723 WATMLTZULUKOCE-UHFFFAOYSA-N 437.525 3.951 0 40 IHAB CC(=O)C[C@@]1(O)C(=O)N(CCOc2ccc(Cl)cc2)c2ccc(Br)cc21 9872929 DBDSGKRQUWUTAG-IBGZPJMESA-N 438.705 3.695 0 40 IHAB C[C@@H](c1nnc(SCC(=O)NCc2ccco2)n1-c1ccc(F)cc1)N1CCCCC1 9949827 TVLZHGDZTXKOMN-INIZCTEOSA-N 443.548 3.955 0 40 IHAB Cc1ccc(NC(=O)CCc2nnc(S[C@@H](C)C(=O)Nc3nc(C)cs3)n2C)cc1 10158316 JLRVBKPTNRWFQQ-AWEZNQCLSA-N 444.586 3.579 0 40 IHAB COc1ccccc1[C@@H](CNC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N(C)C 11603298 RMKFWRRICSBXFG-APWZRJJASA-N 433.961 3.571 0 40 IHAB Cn1ccnc1[C@H](NC(=O)c1ccccc1I)c1ccccc1F 12630023 SEWHRZVZMIZXHE-MRXNPFEDSA-N 435.240 3.683 0 40 IHAB C[C@@H](C(=O)Nc1ccc(Cl)cn1)N(C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 12786619 NJSQGUFDVKOEEC-NSHDSACASA-N 430.814 3.531 0 40 IHAB COC(=O)CCn1c(SCCCOc2ccc(OC)cc2)nc2ccccc2c1=O 12792155 JWZXESFKVGNUFV-UHFFFAOYSA-N 428.510 3.529 0 40 IHAB CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](c2ccc(Cl)cc2)C(C)C)cc1 12854383 DLZHKEXGBCWRQT-NRFANRHFSA-N 436.961 3.677 0 40 IHAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)COc2c(C)cc(Cl)cc2C)CC1 12974976 DSNWJZAPHYFWEW-UHFFFAOYSA-N 443.975 3.735 0 40 IHAB COc1cc(/C=C/C(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)cc(OC)c1OC 13019226 CMWCXQOPJQXFOW-QPJJXVBHSA-N 436.386 3.730 0 40 IHAB COc1ccc(OC)c(NC(=O)[C@H]2C[C@H](C(C)C)N[C@]23C(=O)Nc2c(Cl)cccc23)c1 13592325 FWLWZNRQCPFTRS-YAEBDLLGSA-N 443.931 3.777 0 40 IHAB Cc1cccc(N(CC(=O)NCCCOC(C)C)S(=O)(=O)c2ccc(Cl)cc2)c1 14155596 YVGSVVWQEUISSH-UHFFFAOYSA-N 438.977 3.775 0 40 IHAB CSCC[C@@H](C(=O)N[C@@H]1CCSc2ccc(F)cc21)N1C(=O)c2ccccc2C1=O 14226978 UIZTUEKYJJUPJD-MSOLQXFVSA-N 444.553 3.897 0 40 IHAB CN(CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)S(=O)(=O)c1ccc(Cl)cc1 15699848 FIZJTVPRQLANFX-UHFFFAOYSA-N 436.917 3.641 0 40 IHAB O=C(COc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)N1CC[C@]2(O)CCCC[C@H]2C1 15954335 IWUZQZGLZRNHSL-IZHWHUGBSA-N 445.943 3.858 0 40 IHAB biogenic CSc1ncc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)n1 16742529 YXSUVLVPCWZRFR-LBPRGKRZSA-N 440.978 3.667 0 40 IHAB CCCOc1ccccc1C(=O)Nc1nnc(S(=O)(=O)Cc2ccc(F)cc2)s1 17027749 OSMKFKYHUIUKJT-UHFFFAOYSA-N 435.502 3.692 0 40 IHAB COc1ccccc1NC(=O)CN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 17976270 LHXARFWOFUBLHI-XIGIHCPSSA-N 438.483 3.526 0 40 IHAB CC(C)NC(=O)[C@]1(Cc2ccccc2-c2ccccc2F)CCN(C(=O)[C@@H]2CCCO2)C1 19449201 AHQPWBBHKOUKBH-OZXSUGGESA-N 438.543 3.958 0 40 IHAB COc1cccc(CCC(=O)N2C[C@@H](c3cc(F)cc(F)c3)[C@@]3(CCCCC(=O)N3)C2)c1 19564582 DZJFYHQPOBGILI-WIOPSUGQSA-N 442.506 3.961 0 40 IHAB Cc1nc([C@@H]2CCCN2Cc2cn(CCCO)c3ccccc23)ncc1C(=O)N1CCCC1 19755926 GVWKKPZKEPAKFX-DEOSSOPVSA-N 447.583 3.695 0 40 IHAB CC1CCN(CCC(=O)N2CC[C@H](c3cc(C(=O)NC(C)C)c4ccccc4n3)C2)CC1 19761213 ATGODDOXYQPAKB-FQEVSTJZSA-N 436.600 3.811 0 40 IHAB COc1cccc(CNC(=O)c2cnc([C@@H]3CCCN(C(=O)C4CCCC4)C3)nc2C)c1 19763410 UVTLJEKOGAULGT-HXUWFJFHSA-N 436.556 3.620 0 40 IHAB O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(F)c(F)c1 20012309 QRILZLFDCKTXKN-UHFFFAOYSA-N 434.439 3.934 0 40 IHAB COc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2OC)cc1 20108908 ISFDDVCOHWQAFI-KRWDZBQOSA-N 446.569 3.615 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)N(C)C2CCCCC2)c2ccccc2OC)cc1 20490291 YHQIZZJAYMRRTB-UHFFFAOYSA-N 446.569 3.690 0 40 IHAB C[C@H](OC(=O)COc1cc(Cl)c(Cl)cc1Cl)C(=O)Nc1ccc(C(N)=O)cc1 22528704 IHBGZNXHFRSXMS-VIFPVBQESA-N 445.686 3.695 0 40 IHAB CN(Cc1c(F)cccc1Cl)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 23529311 SPOYHKFOXAYHFK-UHFFFAOYSA-N 438.952 3.855 0 40 IHAB O=S(=O)(c1ccc(Cl)s1)N1CCN(Cc2coc(-c3ccc(F)cc3)n2)CC1 24376091 HTQXMBYXBZGDOD-UHFFFAOYSA-N 441.937 3.702 0 40 IHAB O=C(CCCNC(=O)NC1CCCCC1)N[C@H]1CCCc2c1cnn2Cc1ccccc1 24564311 HTTYVHNWRYDORX-QFIPXVFZSA-N 437.588 3.837 0 40 IHAB O=C(COc1ccc(Cl)cc1Br)NCc1nc(-c2cccs2)no1 24577100 CQFVWGDDHPRHOU-UHFFFAOYSA-N 428.695 3.909 0 40 IHAB Cc1noc2nc(-c3ccco3)cc(C(=O)N3CSC[C@@H]3C(=O)NCc3ccccc3)c12 24663981 KTDGSWRKHOAAQN-GOSISDBHSA-N 448.504 3.623 0 40 IHAB C[C@H]1CCCN(Cc2csc(NC(=O)CCn3c(=S)[nH]c4ccccc4c3=O)n2)C1 28677834 JYUJOEJSNDPAAV-AWEZNQCLSA-N 443.598 3.776 0 40 IHAB O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)NCCNC(=O)c1ccccc1 32908214 LFQSRZHOFZSTLY-JOCHJYFZSA-N 449.938 3.747 0 40 IHAB Cc1ccc(CNC(=O)Cn2cc(-c3nc(-c4ccc(Cl)cc4)no3)ccc2=O)cc1 33293218 WAQLMAQYJWWNLQ-UHFFFAOYSA-N 434.883 3.844 0 40 IHAB COc1ccc(Cc2nnc(C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)s2)cc1 35597017 UKVNFXBRKFEEFG-UHFFFAOYSA-N 447.557 3.845 0 40 IHAB O=S(=O)(c1ccc(Br)s1)N1CCN(C/C=C/c2ccccc2)CC1 36115792 ORWRDIRIKRHISH-QPJJXVBHSA-N 427.389 3.530 0 40 IHAB CCc1cc(C(=O)NCc2cn(C)nc2C)c2c(C3CC3)nn(-c3ccc(F)cc3)c2n1 36621611 ITHSNDLUTODFNU-UHFFFAOYSA-N 432.503 3.971 0 40 IHAB NC(=O)c1c(SCC(=O)c2ccc(Cl)c(Cl)c2)sc2c(O)cc(=O)[nH]c12 40286848 CRRJWGQMEOBXPY-UHFFFAOYSA-N 429.306 3.676 0 40 IHAB O=C(c1c(F)cccc1Cl)N1CCN(c2ccc(-c3noc(C4CC4)n3)cn2)CC1 44095770 SKCVNESBOUEMGB-UHFFFAOYSA-N 427.867 3.764 0 40 IHAB CNC(=O)[C@H]1CN(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)c2ccccc2O1 45470858 AUWWNVAKYXTNKS-HSZRJFAPSA-N 439.531 3.501 0 40 IHAB O=C(Nc1ccc2c(c1)C(=O)N1CCCC[C@@H]1CCO2)c1ccc(Cn2ccnc2)cc1 49524332 LJIIUJSPBOOVLY-OAQYLSRUSA-N 430.508 3.961 0 40 IHAB O=C(CSc1nc2ccsc2c(=O)n1-c1cc(F)cc(F)c1)NCc1ccco1 57489190 JFGKKPIIYFHJGP-UHFFFAOYSA-N 433.461 3.727 0 40 IHAB Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)Nc3nc4ccccc4s3)c2=O)c1 57490288 XPNGEAPQDGHJDV-UHFFFAOYSA-N 448.529 3.771 0 40 IHAB Cc1cccc2cc(CN(Cc3cccs3)Cc3nnnn3Cc3ccco3)c(=O)[nH]c12 57643438 MLJLSPQEJOYAPC-UHFFFAOYSA-N 446.536 3.728 0 40 IHAB CCCN(C(=O)Nc1cccc(-c2nnnn2C)c1)[C@@H]1CCCN(Cc2ccccc2)C1 58201650 BVYPQXSFPUOYLP-JOCHJYFZSA-N 433.560 3.786 0 40 IHAB COc1ccc(-c2cc(N3CCN(C(=O)Cc4c(F)cccc4Cl)CC3)ncn2)cc1 70637630 MBAVRAQGEIWPIJ-UHFFFAOYSA-N 440.906 3.836 0 40 IHAB CCOc1ccccc1NC(=O)Cn1nnc(C(=O)Nc2ccc(C)cc2Cl)c1C 71327295 NDMBKVBLZXONNN-UHFFFAOYSA-N 427.892 3.838 0 40 IHAB CNC(=O)c1sc2ccccc2c1C[C@H]1CCCN1C(=O)CCc1nc(C(C)C)no1 72370329 BLKHXODTWAEPRG-OAHLLOKOSA-N 440.569 3.934 0 40 IHAB O=C(c1n[nH]c2c1CCC2)N1CC[C@H](c2cc(CCOc3ccc(Cl)cc3)[nH]n2)C1 72371506 ZKKUHHDSLPUJRC-AWEZNQCLSA-N 425.920 3.526 0 40 IHAB CN(C)c1ncc(-c2cccc(Cl)c2)c([C@@H]2CCCN(CC(=O)N3CCCC3)C2)n1 72376649 FYLRUSQOLGPRIM-GOSISDBHSA-N 427.980 3.665 0 40 IHAB CC(C)c1cc(C(F)(F)F)c2c(C3CCN(C(=O)CCn4cncn4)CC3)noc2n1 72390218 ZNFFYWUUSQFJMV-UHFFFAOYSA-N 436.438 3.753 0 40 IHAB O=C(c1cnc2ccccc2n1)N1CC(c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 77191061 MDTCPMBMYVXDNW-UHFFFAOYSA-N 425.370 3.938 0 40 IHAB COc1ccc(NS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)cc1N1CCCC1=O 77200710 IAJZDPRBDUZSBA-UHFFFAOYSA-N 428.432 3.783 0 40 IHAB C[C@H]1c2cc(Cl)cc(Cl)c2CCN1c1ccc(S(C)(=O)=O)cc1S(C)(=O)=O 79096283 IDWHBQNFPRCORF-NSHDSACASA-N 448.393 3.924 0 40 IHAB O=C([C@H]1CCCN(c2ccc(Cl)nn2)C1)N1CCC(O)(c2ccc(Cl)cc2)CC1 80328317 ZZDYOAOQXSHBDJ-HNNXBMFYSA-N 435.355 3.510 0 40 IHAB O=C(Nc1ccc(O)c(C(=O)NCCCOCCc2ccccc2)c1)OCC(F)(F)F 84529192 QXLMPOJTNRJBQR-UHFFFAOYSA-N 440.418 3.882 0 40 IHAB CN(Cc1nc(-c2ccccc2)no1)C1CCN(Cc2nc(-c3ccccc3)no2)CC1 95459844 IEIQMERJROPOQT-UHFFFAOYSA-N 430.512 3.883 0 40 IHAB COc1ccc(N2C(=O)C[C@H](N(CCc3ccccc3)C(=O)c3cccc(F)c3)C2=O)cc1 100570672 LJVUMCCCSPFCQG-QHCPKHFHSA-N 446.478 3.851 0 40 IHAB COc1ccc([C@H]2c3ccc(O)cc3Oc3ncn(CCCn4ccnc4)c(=N)c32)cc1 101151189 VUJWYRDCTFUKHF-NRFANRHFSA-N 429.480 3.649 0 40 IHAB O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 103029449 UYUDDEFGNRZNAD-RTBURBONSA-N 435.549 3.969 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)N[C@H](C)c1ccc2c(c1)OCO2 104866087 YMOCFWYJHVOONE-IAGOWNOFSA-N 444.553 3.778 0 40 IHAB COc1ccc(-c2noc(CN(C)C(=O)C3CCN(Cc4ccc(F)cc4)CC3)n2)cc1 219426321 WEURQLGFYAMADH-UHFFFAOYSA-N 438.503 3.755 0 40 IHAB CCOC(=O)c1ccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)cc1Cl 222523314 PMHKETDQFGVYGI-UHFFFAOYSA-N 445.324 3.818 0 40 IHAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(Br)cc1 222569759 IPOWNJKVOHCLIM-ZDUSSCGKSA-N 439.737 3.645 0 40 IHAB CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccc(C)cc1C 223031574 AXHCCXPPJATTDG-QGZVFWFLSA-N 447.373 3.998 0 40 IHAB CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccc(C)c(C)c1 223065834 WRIXVALVKWGMIU-KRWDZBQOSA-N 447.373 3.998 0 40 IHAB COc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CCCN(C)C 223217440 XSGGOQPFQCSGEL-DHIUTWEWSA-N 435.597 3.805 0 40 IHAB CC[C@@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCC2)N(c1cccc(OC)c1)S(C)(=O)=O 223236759 FNLCEVLWEMEHLU-AOMKIAJQSA-N 430.570 3.606 0 40 IHAB Cc1ccc(N(CC(=O)NCCOc2ccccc2C(C)C)S(C)(=O)=O)cc1Cl 223758077 IKJIFXUZAOMNRF-UHFFFAOYSA-N 438.977 3.733 0 40 IHAB COCc1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2)c1 224361270 LYGVIZDIKBPDLB-UHFFFAOYSA-N 436.961 3.667 0 40 IHAB CCN(Cc1ccc(C(=O)NCc2cccc(OC)c2)cc1)S(=O)(=O)c1ccccc1 224519987 MFWCAROSUQYKHL-UHFFFAOYSA-N 438.549 3.836 0 40 IHAB Cc1cc(Cl)ccc1N(CCCC(=O)NCCOc1ccc(F)cc1)S(C)(=O)=O 224768892 HSBLLIGVLZUFCM-UHFFFAOYSA-N 442.940 3.529 0 40 IHAB CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(Cl)c(C)c1 225031489 BKGUGKVYSLGACV-QGZVFWFLSA-N 432.948 3.979 0 40 IHAB CCc1ccc(OCC(=O)N(Cc2cccc(Br)c2)[C@@H](C)C(=O)NC)cc1 225463159 MKHMRNSTHWLQRN-HNNXBMFYSA-N 433.346 3.554 0 40 IHAB Cc1ccccc1-n1c(CC2CCN(C(=O)c3ccc4ccccc4n3)CC2)n[nH]c1=O 225548090 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40 IHAB CCOc1cc2c(cc1/C=C1/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C1=O)OCO2 409095699 IFBBKVBPEZAUIW-DJKKODMXSA-N 440.477 3.797 0 40 IHAB COC(=O)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 409151294 FZMADJWEXOMNPU-MHWRWJLKSA-N 430.869 3.802 0 40 IHAB Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1S(=O)(=O)Nc1ccccc1 409410866 RIRTZQOKHKCUHH-UHFFFAOYSA-N 449.576 3.754 0 40 IHAB CCn1c(SCC(=O)N2CCC(C)CC2)nnc1-c1cc(Br)ccc1O 409412334 JUUZEDHMHXSSLG-UHFFFAOYSA-N 439.379 3.784 0 40 IHAB Cn1cc([C@H]2CN(S(=O)(=O)c3ccccc3Br)Cc3ccccc32)cn1 575620117 QIMSBFQRVPSQDJ-QGZVFWFLSA-N 432.343 3.519 0 40 IHAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)NC[C@H](C)c3ccncc3)cc2)C1 674191158 WMKJVLHZZLNPHH-KURKYZTESA-N 430.574 3.673 0 40 IHAB C[C@H](NC(=O)c1cccc2nc(C(F)F)[nH]c12)c1ccc(OCC(=O)NC2CC2)cc1 1596452120 ZYPKXNNLMDPRSR-LBPRGKRZSA-N 428.439 3.649 0 40 IHAB CCO[C@@H]1CN(Cc2ccccc2)C(=O)[C@@]2(CCCN(Cc3nc4ccccc4n3C)C2)C1 2037873582 YIRJAPKSCLHGTG-CUNXSJBXSA-N 446.595 3.993 0 40 IHAB O=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N(Cc1ccco1)Cc1cccs1 1357641 QRBQZPLEIFOXIU-UHFFFAOYSA-N 444.578 3.971 0 40 IHAB COc1ccc(-c2noc([C@H]3CCCN(S(=O)(=O)c4ccc(C)cc4)C3)n2)cc1OC 1363026 KORIJNDJSVWMKV-KRWDZBQOSA-N 443.525 3.631 0 40 IHAB COc1cc([C@H](c2cc3c(cc2OC(C)=O)OCO3)[C@H](C)C(C)=O)cc(OC)c1OC 1608017 SYRORLGKMVZNMN-VERVWZFWSA-N 430.453 3.723 0 40 IHAB CCc1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)cc1 1985037 NURMYPMSDIKOBJ-UHFFFAOYSA-N 442.471 3.841 0 40 IHAB O=C(OCCOc1ccccc1)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 3337467 JYNMMSRFSFAOJW-UHFFFAOYSA-N 437.517 3.669 0 40 IHAB COc1ccccc1CNC(=O)COc1ccc(Br)cc1Br 3417529 ULNFJCDRKRABQY-UHFFFAOYSA-N 429.108 3.915 0 40 IHAB CCOc1cc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3S[C@@H](C)C(=O)N32)ccc1OC(C)=O 3636554 UXLXVMBCDQBBCY-ORAYPTAESA-N 446.525 3.611 0 40 IHAB CC(C)(C)NC(=O)[C@H](c1ccncc1)N(C(=O)c1csnn1)c1cccc(Cl)c1 5944303 PZKVCYUPHATYJS-KRWDZBQOSA-N 429.933 3.889 0 40 IHAB Cc1cc(Cl)ccc1OCC(=O)N(Cc1sccc1C)[C@H]1CCS(=O)(=O)C1 8612058 IEZDZAGBZNGVFP-INIZCTEOSA-N 427.975 3.613 0 40 IHAB C[C@@H](NC(=O)c1ccccc1NC(=O)c1nn(C)c(=O)c2ccccc12)c1ccccc1 8987078 RYGSXYATUCMMAP-MRXNPFEDSA-N 426.476 3.677 0 40 IHAB O=C(Cn1c([C@@H]2CC(=O)N(CCc3ccccc3)C2)nc2ccccc21)N1CCCCC1 9002100 WRDZPYCQFGLHQD-OAQYLSRUSA-N 430.552 3.607 0 40 IHAB O=C(c1cc(-c2ccc3c(c2)CCCC3)on1)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 9305261 HCPBPVGFTDYYTD-IBGZPJMESA-N 440.521 3.643 0 40 IHAB COc1ccc(/C=C/C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)c(OC)c1 9442412 HEVWECDDKPJKTI-GQCTYLIASA-N 444.793 3.966 0 40 IHAB COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)[C@@H]1CCCN1C(=O)c1cccs1 9491054 YXWKTYVEORYUGR-KRWDZBQOSA-N 444.553 3.841 0 40 IHAB COc1ccc(OC)c(-n2nnc(-c3nsc(NC(=O)c4ccc(C)cc4)n3)c2C)c1 9638321 OFRCLSKABKWZQE-UHFFFAOYSA-N 436.497 3.672 0 40 IHAB Cc1occc1-c1nnc(SCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)o1 9647660 DPFUXBHGVOUCOY-INIZCTEOSA-N 427.482 3.865 0 40 IHAB CC(=O)C[C@]1(O)C(=O)N(CCCOc2cccc(C)c2)c2ccc(Br)cc21 9872968 QWDVUZPPHNYTSH-OAQYLSRUSA-N 432.314 3.740 0 40 IHAB CCC(=O)N(c1ccc(F)cc1)C1CCN([C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 9892298 QMBDXVPLPVTGEK-OAQYLSRUSA-N 441.478 3.504 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc(OC(C)C)c3)C2)cc1 10008517 KFUNOZBWVQGHSY-QGZVFWFLSA-N 432.542 3.522 0 40 IHAB O=C(NCCCOc1ccccc1F)c1ccc(NS(=O)(=O)c2cccs2)cc1 10055195 JYMYZMFKJDCNNP-UHFFFAOYSA-N 434.514 3.887 0 40 IHAB CCN(CC)CCN(C(=O)c1cccs1)c1nc2c(S(C)(=O)=O)cccc2s1 10337329 LJZPWANOJCEPKH-UHFFFAOYSA-N 437.612 3.750 0 40 IHAB Cc1ccccc1Nc1nc(N)nc(CSc2nc(COc3ccccc3C)n[nH]2)n1 12565131 HNVDPYJPDWZEFN-UHFFFAOYSA-N 434.529 3.804 0 40 IHAB CCCc1cc(=O)[nH]c(S[C@H]2CCCC[C@@H]2NS(=O)(=O)c2ccc(Cl)cc2)n1 12566766 HDWBVWSIUCNEEP-IRXDYDNUSA-N 442.006 3.758 0 40 IHAB O=C(NCc1ccccc1)N(Cc1cccnc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 12710999 NZROQRPSBCZDTH-UHFFFAOYSA-N 442.475 3.564 0 40 IHAB Cc1noc(C)c1CCC(=O)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 12746549 RTWJLEIYMAMOBO-UHFFFAOYSA-N 431.536 3.727 0 40 IHAB COc1ccc([C@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1 12780076 QVTKVXDCYDOJII-OAQYLSRUSA-N 446.544 3.599 0 40 IHAB COc1ccccc1N(CC(=O)N[C@@H]1CCCC[C@@H]1C)S(=O)(=O)c1ccc(C)cc1 12799512 YPFCQWXLVUUICW-AZUAARDMSA-N 430.570 3.894 0 40 IHAB CNS(=O)(=O)c1cccc(C(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)c1 12823784 STAPDEZARXMFRP-UHFFFAOYSA-N 431.583 3.771 0 40 IHAB COc1ccc(CN(C)C(=O)CNC(=O)c2sc3ccccc3c2Cl)c(OC)c1 12886943 PKSCHYPZUWQAEV-UHFFFAOYSA-N 432.929 3.960 0 40 IHAB Cc1n[nH]c(=O)c2c(NC(=O)COC(=O)[C@@H](c3ccc(Cl)cc3)C(C)C)oc(C)c12 13108082 XCKTUVJHTPPUJM-MRXNPFEDSA-N 431.876 3.708 0 40 IHAB CNC(=O)[C@@H]1CN(C(=O)c2cc(-c3cccs3)nn2-c2ccccc2)c2ccccc2O1 13115686 MTBJLROFQKQCFA-NRFANRHFSA-N 444.516 3.755 0 40 IHAB COc1ccc(C2=NO[C@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)c2cccs2)c(OC)c1 13557537 JHRHMQMLZZDALR-XXBNENTESA-N 434.473 3.846 0 40 IHAB Cc1cccc(-c2ocnc2C(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)c1 13565415 KHLWGUOUUIARPA-UHFFFAOYSA-N 437.477 3.974 0 40 IHAB COc1ccc(-c2nn(-c3ccccc3)cc2CNC[C@H]2CN(CC(C)C)CCO2)cc1 13988038 SPESNTUJOWXZOG-VWLOTQADSA-N 434.584 3.994 0 40 IHAB CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)CN1CCC(C(=O)OCC)CC1 14129106 YCSFGAKCTZVPHU-UHFFFAOYSA-N 448.541 3.707 0 40 IHAB CCCCn1c(N)c(N(CC(C)C)C(=O)c2cc3c(s2)CCCCC3)c(=O)[nH]c1=O 14670240 ZUBPGTJUYMCBEB-UHFFFAOYSA-N 432.590 3.552 0 40 IHAB Cc1csc(NC(=O)c2cccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)c2)n1 14707198 PQIGYCOSQZYBOP-UHFFFAOYSA-N 445.522 3.666 0 40 IHAB CCc1ccccc1NC(=O)CCc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1C 14709856 KXPLKRQSVOLJLR-UHFFFAOYSA-N 442.585 3.738 0 40 IHAB COc1ccc(-c2noc(Cn3ccn4nc(-c5ccc(C)c(C)c5)cc4c3=O)n2)cc1 16842754 SSVBJFRMBYOMSN-UHFFFAOYSA-N 427.464 3.887 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)c2cc(O)nc3ccccc23)c1 18092672 ROHMQHHBYUFCEH-UHFFFAOYSA-N 427.526 3.840 0 40 IHAB Cc1cccc(-c2ccc(C[C@]3(C(=O)N(C)C)CN(C(=O)c4ccccn4)CCO3)cc2)c1 19235374 DKHSRVOMYRRCPJ-HHHXNRCGSA-N 443.547 3.599 0 40 IHAB Cc1cccc2cc([C@H](c3nnnn3C(C)(C)C)N3CCc4ccccc4C3)c(=O)[nH]c12 19236411 AXEHOKMPJRAXCV-JOCHJYFZSA-N 428.540 3.726 0 40 IHAB CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2ccccc2F)CCN(C(=O)[C@@H]2CCCO2)C1 19449199 AHQPWBBHKOUKBH-JYFHCDHNSA-N 438.543 3.958 0 40 IHAB CC1(C)Oc2ccc(C(=O)N3CCc4onc(Nc5cccc(F)c5)c4C3)cc2NC1=O 19460375 LMEUHCHNMAICHU-UHFFFAOYSA-N 436.443 3.865 0 40 IHAB C[C@H]1CCc2onc(C(=O)N3CCNC(=O)[C@H](Cc4ccc(-c5ccccc5)cc4)C3)c2C1 19497138 BNIXHNBXGGZADZ-PGRDOPGGSA-N 443.547 3.897 0 40 IHAB CNC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)c2cnc(C)nc2C)C1 19552376 FLSZCUMBFBXPCK-SANMLTNESA-N 428.536 3.581 0 40 IHAB CNC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2cc(OC)cc(OC)c2)C1 19591668 PQEDZIGWGWJKLR-HHHXNRCGSA-N 445.563 3.947 0 40 IHAB COc1ccc(-c2cnc(N(C)C)nc2[C@H]2CN(Cc3cnc(C(C)C)nc3)CCO2)cc1 19692945 IAAQWSGCXQPKNY-JOCHJYFZSA-N 448.571 3.705 0 40 IHAB CNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)CCN2CCC(C)=N2)CC1 19700238 IVZNMLFDVBRWEA-UHFFFAOYSA-N 446.595 3.723 0 40 IHAB CNC(=O)c1sc2ncccc2c1[C@@H]1CN(CCCOc2ccc(F)cc2)CCO1 19702906 DECACTWNFGFZAN-SFHVURJKSA-N 429.517 3.637 0 40 IHAB C[C@]1(C2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)CCCCN(Cc2ccccc2)C1=O 19744063 VJMZNNIXXAXZBG-AREMUKBSSA-N 434.584 3.970 0 40 IHAB CCN(CC)C(=O)c1cnc([C@@H]2CCN(Cc3c[nH]nc3-c3ccc(OC)cc3)C2)nc1C 19757513 AZJJQDAZPXATSH-LJQANCHMSA-N 448.571 3.655 0 40 IHAB Cc1nc([C@@H]2CCCCN2C(=O)c2ccncc2)ncc1C(=O)NCc1ccc(F)cc1 19766409 JKHSTWDPOCCNCV-NRFANRHFSA-N 433.487 3.617 0 40 IHAB CCOC(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCN(CC)C3 20813440 KRANXPVPRIAWLK-UHFFFAOYSA-N 443.594 3.540 0 40 IHAB CCOC(=O)c1ccc(OCC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)cc1 21443268 INTXVOSNSGAHGC-KRWDZBQOSA-N 436.386 3.548 0 40 IHAB CC1CCN(Cc2csc(NC(=O)[C@H](NC(=O)c3ccccc3F)C(C)C)n2)CC1 22291424 WRYYAQXOJODTSR-LJQANCHMSA-N 432.565 3.907 0 40 IHAB CCn1nnc2cc(C(=O)Nc3nc(-c4ccc(CNC(C)=O)s4)c(C)s3)ccc21 23151166 WGYFRGBSHHQZBI-UHFFFAOYSA-N 440.554 3.833 0 40 IHAB CCOc1ccc(C(=O)NC(=S)Nc2ncc(I)cc2C)cc1 32125371 GKTDSOPMWZUJSI-UHFFFAOYSA-N 441.294 3.520 0 40 IHAB CC(C)C(=O)Nc1ccc(-c2csc(CN3C(=O)c4ccccc4S3(=O)=O)n2)cc1 32534775 NBHMJJRVWFKZMH-UHFFFAOYSA-N 441.534 3.749 0 40 IHAB CCC1=C(C(=O)OC)[C@H](c2cccc(F)c2)NC(=S)N1c1ccc2c(c1)OCCO2 32665963 BURKHSWRFZMVNN-FQEVSTJZSA-N 428.485 3.870 0 40 IHAB O=C(Nc1cccc(Cl)c1)N1CCN(C(=O)c2cccc(OC[C@H]3CCCO3)c2)CC1 32912015 CTUBIVIODFNHMZ-OAQYLSRUSA-N 443.931 3.888 0 40 IHAB O=C(c1ccc(Br)s1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1 32983192 NXVOOADWAGOXOU-LBPRGKRZSA-N 448.342 3.569 0 40 IHAB Cc1ccc(S(=O)(=O)c2c(C(=O)N3CCOCC3)cnc3ccc(Cl)cc23)c(C)c1 33249344 QWKBRGMUPKXUJQ-UHFFFAOYSA-N 444.940 3.810 0 40 IHAB CCOc1cc(C(=O)Nc2ccc(OC)cc2)cc(I)c1OC 33797378 ZIGAPWLENNUMEV-UHFFFAOYSA-N 427.238 3.959 0 40 IHAB O=C(CSc1cc(N2CCN(c3ccccc3F)CC2)ncn1)N1CCc2ccccc21 36708515 QVVOTDZREZGLIV-UHFFFAOYSA-N 449.555 3.624 0 40 IHAB Cc1cc(C(=O)NCc2ccccc2-n2ccnc2)ccc1NS(=O)(=O)c1ccccc1 38755519 CWUVFLQYEHQHKW-UHFFFAOYSA-N 446.532 3.912 0 40 IHAB O=C(Nc1c[nH]ccc1=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 40088205 WZCOYJKOWGSSRW-UHFFFAOYSA-N 438.292 3.735 0 40 IHAB Cc1cccc2c(=O)n(CC(=O)NCC(C)(C)c3ccc(Br)cc3)cnc12 40113437 KQCHEDXGQQDKJQ-UHFFFAOYSA-N 428.330 3.561 0 40 IHAB CC[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccc(C)cc1Cl)CC(=O)N2 40390655 WMIVTFULSPGBQU-KGLIPLIRSA-N 443.935 3.565 0 40 IHAB CC(=O)NC1(c2noc(CCC(=O)NCCCSc3ccccc3)n2)CCCCCC1 48299310 SLDNRTFVKTWLIF-UHFFFAOYSA-N 444.601 3.986 0 40 IHAB CC(C)c1cccc(NC(=O)CN2C(=O)N[C@@H](c3cccc(Cl)c3)C3=C2COC3=O)c1 49402977 AOBUODDYDQAZPB-NRFANRHFSA-N 439.899 3.979 0 40 IHAB O=C(Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2ccccc21)Nc1ccc(Cl)cc1 51357838 WFJMZUOSHHWASX-UHFFFAOYSA-N 437.858 3.643 0 40 IHAB O=C(NCc1cccc(Br)c1)[C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 57416486 DZAVYSTWSWKGHS-GFCCVEGCSA-N 425.685 3.911 0 40 IHAB Cc1c(Cl)cccc1NC(=O)Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21 57428845 DEBLRLCUHBVBEN-UHFFFAOYSA-N 425.897 3.814 0 40 IHAB COc1ccc2ccccc2c1[C@@H]1NC(=O)N[C@@](O)(C(F)(F)F)[C@H]1C(=O)c1ccccc1 57531282 CAPYRYAACVZIHP-DXIQSLLYSA-N 444.409 3.952 0 40 IHAB COC(=O)[C@H](NS(=O)(=O)c1cccc(Cl)c1C)c1ccc(Br)cc1 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40 IHAB O=C(CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)Nc1ccccc1Cl 779428 MJFYUXDZXSNWJL-CQSZACIVSA-N 429.929 3.960 0 40 IHAB CCOc1ccc(C2C(C(=O)OC)=CN(Cc3ccc(OC)cc3)C=C2C(=O)OC)cc1 1457751 OEEZFGNYPDBWMV-UHFFFAOYSA-N 437.492 3.807 0 40 IHAB Cc1ccc(C(=O)O)cc1N1C(=O)c2ccc(-c3nc4ccccc4c(=O)o3)cc2C1=O 2462381 JRSZFEWNUHUIAZ-UHFFFAOYSA-N 426.384 3.662 0 40 IHAB O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1cccs1)N2)N1CCN2CCC[C@@H]2C1 2753674 VLXJAOYICCCTEV-WWGRRREGSA-N 425.480 3.525 0 40 IHAB CC(C)(C)C(=O)N[C@@H](n1cnc2c(N3CCCCC3)ncnc21)C(Cl)(Cl)Cl 3029953 NMLZMOWCJXYORO-AWEZNQCLSA-N 433.771 3.848 0 40 IHAB O=C1N(c2cccc(Cl)c2)[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1 8441039 GGYOGWRQNSLJHA-JKSUJKDBSA-N 441.734 3.715 0 40 IHAB COc1ccc(-n2c(=O)c(CCC(=O)N(C)Cc3ccc(C)o3)nc3ccccc32)cc1 8728313 MIJYQIJBLDWFTK-UHFFFAOYSA-N 431.492 3.887 0 40 IHAB COc1ccc(S(=O)(=O)Nc2nc(C)c(C(=O)NCCC3=CCCCC3)s2)cc1 8979021 HMIVEVNCXHINTB-UHFFFAOYSA-N 435.571 3.881 0 40 IHAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccccc3Cl)cc2)no1 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COc1ccc(CCN[C@H](CC(=O)Nc2c(Cl)cccc2Cl)C(=O)O)cc1OC 10186417 COLBQHKJUNIYKO-OAHLLOKOSA-N 441.311 3.625 0 40 IHAB CCc1ccc(-c2csc(NC(=O)[C@@H](C)OC(=O)[C@@H]3CCCN(C(C)=O)C3)n2)cc1 10744943 FZHHNBWFCDULLB-RDTXWAMCSA-N 429.542 3.501 0 40 IHAB CC1=C(C(=O)Nc2cc(C)on2)[C@H](c2ccc(F)c(Br)c2)NC(=S)N1C 11204624 HCOTWBOMWWFUKN-HNNXBMFYSA-N 439.310 3.658 0 40 IHAB CCOC(=O)C1CCN(C(=O)CSc2nnc(Nc3ccc(C)cc3C)s2)CC1 11368723 AIPJEOUSYBBRAZ-UHFFFAOYSA-N 434.587 3.792 0 40 IHAB CCOC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccccc2)c(C)o1 12410682 HOUZPNBUYYERNG-UHFFFAOYSA-N 428.466 3.818 0 40 IHAB CCOc1ccc(NC(=O)C2(c3ccccc3)CC2)cc1S(=O)(=O)N1CCCCC1 13095938 AXMIZZJPSWSFDY-UHFFFAOYSA-N 428.554 3.930 0 40 IHAB Cc1occc1-c1nnc(S[C@H]2CCCCN(C(=O)c3ccc(F)cc3)C2=O)n1C 13131386 WFNICTQOQKSBMX-KRWDZBQOSA-N 428.489 3.836 0 40 IHAB COc1cc([C@@H]2CC(=O)Nc3nc(SCc4cccc(Cl)c4)[nH]c(=O)c32)ccc1O 13567405 QQOXHMILRRDCID-AWEZNQCLSA-N 443.912 3.904 0 40 IHAB O=C(CCCc1c[nH]c2ccccc12)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 13691586 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CCC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2ccc(C(C)C)cc2)CC1 17102704 KLEXRYDPLSQZHN-UHFFFAOYSA-N 438.597 3.995 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2nc(C)ncc2-c2cc(C)no2)cc1 19121995 CHWSVJNLMXXKRT-LJQANCHMSA-N 428.514 3.673 0 40 IHAB CC(=O)Nc1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(Cl)c(C)cc2O3)cc1 19125664 UQAUMGXHIRLYEN-VXKWHMMOSA-N 444.959 3.991 0 40 IHAB CC(C)n1nccc1C(=O)N1CCC(O)(Cn2ccc3nc(-c4ccncc4)ccc32)CC1 19454553 CFZKXHDYSNYHAR-UHFFFAOYSA-N 444.539 3.543 0 40 IHAB CC[C@H](Oc1ccccc1OC)C(=O)N1CCC[C@@H](c2nc3ccccc3cc2C(N)=O)C1 19499379 JEWYTUJECMWKSR-NQIIRXRSSA-N 447.535 3.906 0 40 IHAB COc1cccc(CC(=O)N2CCC[C@](Cc3ccc(-c4cccnc4)cc3)(C(N)=O)C2)c1 19564167 WOHGQTDEPDFICB-HHHXNRCGSA-N 443.547 3.637 0 40 IHAB CN(C)C(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CN(Cc2cccc(F)c2)CCO1 19580878 WJDANKFARLPIBU-SANMLTNESA-N 433.527 3.790 0 40 IHAB CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CN(C(=O)Cc2c[nH]c3ccccc23)CCO1 19702699 VIMJXHYIWLJJTD-IBGZPJMESA-N 448.548 3.622 0 40 IHAB 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Cc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H]([C@H]6C[C@H]56)[C@H]4C3=O)c2)cc1 100831737 ZFYFWFHQNNBOBA-DRRJAYDASA-N 441.483 3.592 0 40 IHAB COc1cc([C@@H]2[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@@H]3ON2c2ccccc2)ccc1O 102722488 UELMKLYKBHWQJF-DNVJHFABSA-N 430.460 3.760 0 40 IHAB CCCCOC(=O)c1cccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc(C)c2)c1 138700597 CYNRSRFCCUEAPK-UHFFFAOYSA-N 440.496 3.853 0 40 IHAB COc1cc(OC)c(CCC(=O)NC[C@@H]2CCCN2c2nc3ccccc3o2)c(OC)c1 206773084 OOWSCDUINMJTRK-INIZCTEOSA-N 439.512 3.571 0 40 IHAB CCCOc1ccccc1CCCNC(=O)[C@H](CC)N(c1ccccc1)S(C)(=O)=O 219085187 QGDXYWLLXFPAJF-NRFANRHFSA-N 432.586 3.769 0 40 IHAB CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)COc1ccc(Br)c(C)c1 222952303 BSAJLONDGYAGFP-IBGZPJMESA-N 433.346 3.690 0 40 IHAB CC(C)C(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CCCO1 223203145 MLIQMQFQFCJBPW-GOTSBHOMSA-N 426.532 3.717 0 40 IHAB CCCn1c(=O)sc2cc(S(=O)(=O)NCCOc3cccc4ccccc34)ccc21 223579688 DSEFYWFLJKKEBN-UHFFFAOYSA-N 442.562 3.984 0 40 IHAB 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O=C(CN1C(=O)NC2(CCCCCC2)C1=O)N(CCc1ccccc1)Cc1ccccc1 9583961 JGLJQHZSHVSPFV-UHFFFAOYSA-N 433.552 3.903 0 40 IHAB CN(C)CCN(C(=O)COc1ccc(Cl)cc1)c1nc2cc3c(cc2s1)OCO3 9604045 IDXSYLVKZBFVNC-UHFFFAOYSA-N 433.917 3.652 0 40 IHAB COc1ccc(Cl)cc1NC(=O)Cc1csc(NS(=O)(=O)c2ccccc2)n1 9821777 NRFATHZGHUSUKG-UHFFFAOYSA-N 437.930 3.787 0 40 IHAB O=c1c(Cl)c(NC[C@H](c2ccco2)N2CCCCC2)cnn1-c1nc2ccccc2[nH]1 9884182 CZDSOLWWTXWHIA-GOSISDBHSA-N 438.919 3.994 0 40 IHAB COc1ccccc1C(=O)NC(=S)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1 9886316 AUZKSRVRDNYXMD-UHFFFAOYSA-N 431.473 3.623 0 40 IHAB COc1cccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)[C@H](c3ccc(F)cc3)C2)c1 9971271 BZYXJZKGWVLCAU-QFIPXVFZSA-N 425.485 3.837 0 40 IHAB Cn1ncc2c(SCC(=O)N3N=C(c4cccs4)C[C@@H]3c3cccs3)ncnc21 11683202 BQMZTEOLUGWRFN-CQSZACIVSA-N 440.579 3.956 0 40 IHAB O=C(N[C@H]1C[C@]2(CCC(=O)N(Cc3ccccc3)CC2)Oc2ccccc21)c1cnccn1 12086489 PUODGUYPIWSJRA-HFZDXXHNSA-N 442.519 3.682 0 40 IHAB COc1cc(Nc2ccc(NS(=O)(=O)c3ccc(OC)c(C)c3C)cc2)nc(C)n1 12226233 LLWPTUABIVIWBK-UHFFFAOYSA-N 428.514 3.963 0 40 IHAB Cc1cc(C(F)(F)F)n2nc([C@H]3CCCN3C(=O)[C@H](C)Cn3nc(C)cc3C)cc2n1 12230681 QFOFGEKEJSPALM-SJKOYZFVSA-N 434.466 3.870 0 40 IHAB CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)N(C)Cc1ccc(Cl)cc1Cl 12799275 FVLQNWQPXASTHE-JOCHJYFZSA-N 446.334 3.951 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-c4ccccc4F)o3)CC2)cc1 12925885 VJNAEFNGIBYOJB-UHFFFAOYSA-N 428.485 3.541 0 40 IHAB O=C(COc1ccc(Cl)cc1Br)OCC(=O)c1ccc2c(c1)OCCO2 13068447 GMDTZPDSMZFSQK-UHFFFAOYSA-N 441.661 3.679 0 40 IHAB CCCCn1c(=O)[nH]c(=O)c2c1nc(COc1cc(Cl)ccc1Cl)n2CCC 13113103 RIDGNERJHGIIEG-UHFFFAOYSA-N 425.316 3.982 0 40 IHAB COc1ccc(C(=O)OCc2ccc(Cl)c(Cl)c2)cc1S(=O)(=O)NC1CC1 13121488 CXYRIVOVTMYADB-UHFFFAOYSA-N 430.309 3.800 0 40 IHAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=S)NC[C@H]3CCCO3)cc2c1 13555580 NVBYWZMIHUOFHE-LJQANCHMSA-N 425.554 3.739 0 40 IHAB CCOC(=O)[C@@H]1CCCN(C(=O)C2(NC(=O)Nc3ccc(F)cc3F)CCCCC2)C1 13563209 FAENMRBHWQVNJK-OAHLLOKOSA-N 437.487 3.591 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)N2c3ccccc3C[C@@H]2C)c2ccccc2)cc1 13672704 DITQHNVYEWENMI-SFHVURJKSA-N 436.533 3.868 0 40 IHAB CC[C@@H](C(=O)Nc1ccccc1C(=O)N(CC)CC)N(c1ccc(C)cc1)S(C)(=O)=O 13713841 AQGDGBJSSLKVNW-NRFANRHFSA-N 445.585 3.660 0 40 IHAB COc1ccc(S(=O)(=O)N[C@H](C)CCc2ccccc2)cc1C(=O)N1CCC(C)CC1 14400046 ZBNOXMFCCPJUIB-LJQANCHMSA-N 444.597 3.867 0 40 IHAB O=C(COc1ccc(C(=O)c2ccccc2)cc1)OCc1nc2cc(Cl)ccc2c(=O)[nH]1 14674648 LBMNHZRYZHQWCQ-UHFFFAOYSA-N 448.862 3.930 0 40 IHAB Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)Oc2ccc(F)cc2)cc(=O)[nH]1 19240946 SPOMRHLZUJQLJU-SPLOXXLWSA-N 434.471 3.566 0 40 IHAB O=C(CCCOc1ccccc1F)N1CCC[C@@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 19350266 MCKDSGIJZKLTNP-HYVNUMGLSA-N 437.466 3.505 0 40 IHAB CN(C)C(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CN(C(=O)CC2CCCCC2)CCO1 19580608 HGLLEVCWDRLCQV-HHHXNRCGSA-N 449.595 3.947 0 40 IHAB Cc1noc(C)c1CCC(=O)N1CCNC(=O)[C@@H](Cc2cccc(-c3ccc(F)cc3)c2)C1 19580739 LYIWHGAPDXZZNP-QFIPXVFZSA-N 449.526 3.847 0 40 IHAB COc1ccc(CC(=O)N2CCC[C@H](c3cc(N(C)C)nc(-c4cccnc4)n3)C2)cc1 19584366 ROVZWFFFUORPJY-FQEVSTJZSA-N 431.540 3.562 0 40 IHAB COc1cccc(CN2CC=CC[C@@H](C3CCN(Cc4cccnc4N(C)C)CC3)C2=O)c1 19698492 IVXIPCQOXBTKHL-VWLOTQADSA-N 448.611 3.973 0 40 IHAB Cc1nc([C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)ncc1C(=O)NCc1ccccc1 19764060 HWTYEBCXZKCKTE-OAQYLSRUSA-N 446.526 3.803 0 40 IHAB CCOC(=O)N1CCN(Cc2c(NC(=O)c3ccc(OC)cc3)sc(C)c2C)CC1 19880815 RNHJIBCQKIKVSL-UHFFFAOYSA-N 431.558 3.900 0 40 IHAB COc1ccccc1[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCCCCC2)cc1 20021282 ZXSIKODKKRLIQF-GOSISDBHSA-N 446.569 3.516 0 40 IHAB CCOC(=O)c1ccc(NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)cc1Cl 20040833 WUHYFJBUVLPTSV-UHFFFAOYSA-N 431.297 3.794 0 40 IHAB Cc1ccc(SCCNC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 20237123 HHAIBTLWTBBDME-UHFFFAOYSA-N 446.516 3.688 0 40 IHAB COc1cccc(C(=O)C[C@H]2c3c(c(Br)c4c(c3OC)OCO4)CCN2C)c1 20410434 CJTFTLNERNIELR-HNNXBMFYSA-N 448.313 3.997 0 40 IHAB biogenic CCOC(=O)c1ccc(NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1Cl 20482160 HIVMTWPWJRJWRH-UHFFFAOYSA-N 445.324 3.575 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1Cl 20492811 OCISLDBMABQULJ-UHFFFAOYSA-N 445.324 3.575 0 40 IHAB CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1ccc(SC)cc1 20802149 ZNFWSEIEMBPUIN-UXHICEINSA-N 439.537 3.520 0 40 IHAB CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(Cl)cc2Cl)Oc2ccc(Cl)cc21 22528764 IFCPMMIRPPIOGD-HNNXBMFYSA-N 435.716 3.813 0 40 IHAB CCOc1ccc2ncc(S(=O)(=O)c3ccc(C)c(C)c3)c(N3CCN(C)CC3)c2c1 22574128 LVTLOACTQAVVTA-UHFFFAOYSA-N 439.581 3.835 0 40 IHAB CCn1c(SC[C@H]2CSc3nnc(-c4ccncc4)n32)nc2ccsc2c1=O 26129002 LQLFCNNJAJQJNW-LBPRGKRZSA-N 428.568 3.571 0 40 IHAB COc1ccc2cc(CNC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(C)s3)ccc2c1 26675315 AZSYJTHYAUONRZ-HXUWFJFHSA-N 444.578 3.688 0 40 IHAB CCCCCOc1ccccc1/C=c1\sc2nc([C@H]3COc4ccccc4O3)nn2c1=O 26896348 YIHDOGDQAFDBOB-PLDFPGSMSA-N 449.532 3.780 0 40 IHAB Cc1cccc(Cn2nccc2NC(=O)c2nn(-c3ccccc3Cl)c(C)cc2=O)c1 30527161 JMKMSMNCAWJKPV-UHFFFAOYSA-N 433.899 4.000 0 40 IHAB O=C1[C@H]2CCCC[C@H]2C(=O)N1CCC(=O)N1CCc2sccc2[C@@H]1c1cccs1 32781473 SPKUQJMVPBZLSA-QEEYODRMSA-N 428.579 3.849 0 40 IHAB Cc1ccc(-c2cc(C(=O)N3CCc4ccccc43)nn2[C@H]2CCS(=O)(=O)C2)cc1C 33325809 NGOZJQLNMQBZHA-FQEVSTJZSA-N 435.549 3.729 0 40 IHAB CS(=O)(=O)NCCc1ccc(-c2csc(-c3ccc(Br)o3)n2)cc1 48374998 AHINBMAIADASLG-UHFFFAOYSA-N 427.345 3.924 0 40 IHAB COc1ccc(NC(=O)Cn2c(=O)nc(N3CCC(C)CC3)c3ccccc32)cc1Cl 49004241 JJOOOQWMNQHBKW-UHFFFAOYSA-N 440.931 3.934 0 40 IHAB Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3Cl)nc2N)cc1 57510489 HTEHYDPHHMGFGV-UHFFFAOYSA-N 448.957 3.584 0 40 IHAB CCOc1ccc2sc(NC(=O)CSc3nc4cc(C)[nH]c4c(=O)n3CC)nc2c1 57522100 CDXKPUVHFKXUJS-UHFFFAOYSA-N 443.554 3.792 0 40 IHAB CCc1cccc(CC)c1NC(=O)C(=O)NCC[C@@](O)(c1ccc(C)o1)C(F)(F)F 57996040 GRGHQCFZQQNFCT-HXUWFJFHSA-N 426.435 3.608 0 40 IHAB O=C(NCc1cccc(N2CCOC2=O)c1)c1cc2c(F)cc(Br)cc2[nH]1 58378557 LKUWNYMODQOOLJ-UHFFFAOYSA-N 432.249 3.956 0 40 IHAB COc1ccccc1Nc1nnc(CC(=O)N2CCN(c3cccc(C)c3C)CC2)s1 62007196 DXLGLXLWCZAGEE-UHFFFAOYSA-N 437.569 3.798 0 40 IHAB Cc1ccc(Sc2nccn3c(=O)n(CC(=O)Nc4ccc(Cl)cc4)nc23)c(C)c1 67255631 FAZCMXLAMBREHV-UHFFFAOYSA-N 439.928 3.951 0 40 IHAB CCc1ccccc1NC(=O)c1nnn(CC(=O)Nc2cc(Cl)ccc2OC)c1C 67322148 ZHATZPCRWXIAPS-UHFFFAOYSA-N 427.892 3.702 0 40 IHAB Cc1ccc(NC(=O)NCC(C)(C)C[C@@H](C)O)cc1NC(=O)NCC(C)(C)C[C@H](C)O 72304718 RUXHQGARJRMQIH-SJORKVTESA-N 436.597 3.832 0 40 IHAB NC(=O)c1ccc(-c2cnc(N)nc2[C@H]2CCCN(C(=O)CCCc3ccccc3)C2)cc1 72346236 UPVIVEIXPDQCOE-NRFANRHFSA-N 443.551 3.554 0 40 IHAB Cc1ccc(C(=O)N2CCC[C@H](c3cc(C(F)(F)F)c4c(N)nc(C)nc4n3)C2)cn1 72350867 WEWMQVXXERMSRO-AWEZNQCLSA-N 430.434 3.657 0 40 IHAB CCOc1cc(C(=O)N2CC[C@@H](OCc3ccccn3)C2)ccc1OCc1cccnc1 79110152 WDCMLWIYKHUDAD-JOCHJYFZSA-N 433.508 3.886 0 40 IHAB COc1ccc(NC(=O)c2ccc3c(=O)n(-c4cc(OC)ccc4OC)cnc3c2)cc1 94993034 BODYSAKFNCQZGL-UHFFFAOYSA-N 431.448 3.664 0 40 IHAB CCOc1ccc(C[C@@H](CNCc2ccccc2OC[C@@H]2CCCO2)C(=O)OC)cc1 95467744 PJXUKEBVCJHWAX-GMAHTHKFSA-N 427.541 3.765 0 40 IHAB COC(=O)c1ccc(CNC(=O)[C@@H](C)N2CC=C(c3cncc4ccccc34)CC2)cc1 96012873 HZBBSDDGLLYUPC-GOSISDBHSA-N 429.520 3.815 0 40 IHAB CC1(C)C[C@@H](n2nc(O)c3c2NC(=O)CS[C@H]3c2cc(F)c(F)c(F)c2)CCO1 96116738 IOSIRUUPLUAGQV-QFYYESIMSA-N 427.448 3.911 0 40 IHAB Cc1ccc2c(c1)s/c(=N/C(=O)c1ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc1)n2C 100860564 IRIWLXHPDPIDTH-LSJZCYCUSA-N 443.594 3.710 0 40 IHAB COc1ccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@H]6C[C@H]56)[C@@H]4C3=O)c2)c(OC)c1 100877975 XBURRTUYWLXGOK-WYIZHRONSA-N 444.487 3.514 0 40 IHAB Cc1cc(NS(=O)(=O)c2cc3c4c(c2)[C@@H](C)C(=O)N4CCC3)ccc1Br 101079135 SBAVBCUGTKLDCP-GFCCVEGCSA-N 435.343 3.955 0 40 IHAB CC(=O)OCC(=O)[C@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118919608 OTNAVSJAMNLXPF-LDQMMROCSA-N 432.557 3.744 0 40 IHAB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)Nc1cc(Cl)ccc1Cl 138889377 OFYJWGMRZMEPGL-NSHDSACASA-N 425.243 3.667 0 40 IHAB CCc1cccc(CC)c1NC(=O)[C@H](C)N(c1ccc(OC)c(OC)c1)S(C)(=O)=O 220234338 VEERREYLUWQXMI-HNNXBMFYSA-N 434.558 3.622 0 40 IHAB CCOc1ccccc1CCCNC(=O)[C@@H](CC)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220577320 LKTBZGBWLSVNFK-JOCHJYFZSA-N 446.613 3.996 0 40 IHAB CS(=O)(=O)N(CC(=O)NCc1ccc2ccccc2c1)c1ccc(C(F)(F)F)cc1 222805361 AUGSDWBVTAEELE-UHFFFAOYSA-N 436.455 3.941 0 40 IHAB CC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccc2c(c1)OCO2 223048225 MRLRQGSMXXMMLJ-QHCPKHFHSA-N 430.504 3.692 0 40 IHAB CC[C@@H](NC(=O)CCCN(c1ccccc1OC)S(C)(=O)=O)c1ccc(OC)c(C)c1 223287678 DOAXYXZHDAGBIX-LJQANCHMSA-N 448.585 3.826 0 40 IHAB COc1cc(C)c(S(=O)(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1C(C)C 223892929 FNAVMLRRNOMHAI-OAHLLOKOSA-N 425.572 3.570 0 40 IHAB CCN(c1ccc(C(=O)NCCCN2CCCCCC2)cc1)S(=O)(=O)c1ccccc1 224362208 PEYSYJQDKKBBLV-UHFFFAOYSA-N 443.613 3.898 0 40 IHAB CCOC(=O)CN(c1ccc(C(=O)OCC)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 224698429 QCUSDBMTQXSJQZ-UHFFFAOYSA-N 439.917 3.584 0 40 IHAB COc1ccc2cc(S(=O)(=O)Nc3ccccc3C(=O)NC[C@@H]3CCCO3)ccc2c1 224723564 JLKFUGRQCFIPOO-IBGZPJMESA-N 440.521 3.558 0 40 IHAB CCN(Cc1ccccc1)S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1 225027710 MMHIBINBBKWFEF-UHFFFAOYSA-N 436.946 3.655 0 40 IHAB COCC(=O)N1CCC(C)(C(=O)N2C[C@H]3CC[C@H](Cc4ccc(Cl)cc4)[C@H]3C2)CC1 257199812 AAXHGTDMGUMFBT-SFHLNBCPSA-N 432.992 3.642 0 40 IHAB O=C(CCCNc1ncnc2ccccc12)N1CCC[C@H]1c1cccc(-n2ccnc2)n1 257213600 CIGYGITUTFKTIA-NRFANRHFSA-N 427.512 3.766 0 40 IHAB Cc1cc(Nc2ccnc(C[C@H]3COC4(CCN(C(=O)C5CCCCC5)CC4)C3)n2)[nH]n1 257249734 JJOPUBKTXGNUMT-GOSISDBHSA-N 438.576 3.772 0 40 IHAB Cc1cc(-c2ccccc2)cc([C@H]2CCCN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)C2)n1 257278585 OCVKCYRCEUTNNZ-SFHVURJKSA-N 448.548 3.795 0 40 IHAB CC(C)CN1c2ccccc2C2(CCN(Cc3ccc4c(c3)OCO4)CC2)S1(=O)=O 306136304 PPMDHDCMKBESDD-UHFFFAOYSA-N 428.554 3.712 0 40 IHAB O=Cc1ccc(-c2ccc(Cl)c(C(=O)OCC(=O)Nc3ccc4c(c3)OCCO4)c2)o1 408600140 VMXZPHOJGXGTPV-UHFFFAOYSA-N 441.823 3.979 0 40 IHAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)cc1C 408626735 WGLSVEAQXWOMFB-ZDUSSCGKSA-N 430.448 3.718 0 40 IHAB Cc1ccc(Cl)cc1NC(=O)COC(=O)CCCCCN1C(=O)c2ccccc2C1=O 408652291 CDZXPLTUELHANO-UHFFFAOYSA-N 442.899 3.987 0 40 IHAB CCCCCOC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1 408683284 LBIQWYVEGCNOTM-UHFFFAOYSA-N 430.526 3.743 0 40 IHAB COc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)c(Br)cc1O 409077137 DAZLRPJFIJTRRZ-ZSOIEALJSA-N 425.348 3.896 0 40 IHAB CC(C)Oc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(Cl)cc3)CC2=O)cc1 409123989 IOCXMCIEYVKTMS-OAHLLOKOSA-N 430.888 3.662 0 40 IHAB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)NC[C@H]2CCCO2)cc1C 409216404 HUWZMFIJWBSQGF-OAQYLSRUSA-N 436.581 3.862 0 40 IHAB CCCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)C1=O 409234316 ZHYFZFKCQKMNAE-LICLKQGHSA-N 444.871 3.929 0 40 IHAB CS(=O)(=O)Nc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)s1 517153545 HSCWGDGMNIOGIQ-UHFFFAOYSA-N 434.870 3.593 0 40 IHAB Cc1ccnc(-c2ccc(NS(=O)(=O)c3cc(Br)cc(C(=O)O)c3)cc2)n1 535686741 ZSMPLZJPLIMRNW-UHFFFAOYSA-N 448.298 3.714 0 40 IHAB CNS(=O)(=O)c1cccc2c1CCN(C(=O)C1(c3cccc(Cl)c3)CCCC1)C2 552368544 LMLRRDCWLLKZPF-UHFFFAOYSA-N 432.973 3.645 0 40 IHAB Cc1nnnn1-c1cccc(NC(=O)N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)c1 588245157 VZLAVSGJHSLUOI-INIZCTEOSA-N 448.462 3.571 0 40 IHAB C[C@H]1C[C@@H](C)CN(Cc2ccccc2CNC(=O)CNC(=O)c2ccc3c(c2)CCC3)C1 589688078 CPKWAAQJQZOERZ-BGYRXZFFSA-N 433.596 3.699 0 40 IHAB O=C(c1cccc2cccnc12)N1CCOC[C@@]2(C1)CN(c1cccc(Cl)c1)C(=O)O2 1848355719 JPPNFZKDUBAJED-HSZRJFAPSA-N 437.883 3.756 0 40 IHAB O=C(CCc1ccccc1)Nc1ccc2nc(SCC(=O)N3CCOCC3)sc2c1 1058110 JXCCCHWYEKOALV-UHFFFAOYSA-N 441.578 3.819 0 40 IHAB CCCCCOc1ccc(NC(=O)[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)cc1 2674098 KOTQDXOXUNHJPR-TWHPPBISSA-N 435.517 3.591 0 40 IHAB biogenic COc1cc(CC(=O)O[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc(OC)c1OC 3320534 SENITDCTUBCYQV-LBPRGKRZSA-N 441.402 3.844 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)ccc1C 3532775 PNPHDKXKBSPPAH-UHFFFAOYSA-N 443.613 3.605 0 40 IHAB O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)Nc2ccc(F)cc2)C1)c1ccccc1 4277682 JJRNVHNVBCISOM-FUHWJXTLSA-N 446.482 3.891 0 40 IHAB biogenic,in-vitro C[C@H]1CCC[C@H](C)N1C(=O)Cn1c(SCC(=O)NC2CCCC2)nc2ccccc21 4859206 AHWFJADGTHDGHA-IRXDYDNUSA-N 428.602 3.977 0 40 IHAB NC(=O)c1c(NC(=O)CSc2nnc3ccc4ccccc4n23)sc2c1CCCC2 8718020 ACIFMMNNROHBAC-UHFFFAOYSA-N 437.550 3.653 0 40 IHAB Cn1c(Oc2ccc(-c3ccccc3)cc2)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C 8926258 SEGKANOUWLOYFQ-UHFFFAOYSA-N 438.487 3.941 0 40 IHAB O=S(=O)(NC[C@H](c1ccccc1)S(=O)(=O)c1cccs1)c1cccc(Cl)c1 9106920 YOMJEWAUUZQEOR-QGZVFWFLSA-N 441.983 3.895 0 40 IHAB CCOc1ccc([C@@H]2Nn3c(nnc3-c3ccccc3)S[C@@H]2C(=O)N2CCCC2)cc1 9238486 UZEGDIKKXKRMQF-PMACEKPBSA-N 435.553 3.725 0 40 IHAB O=C(O)c1ccc(Nc2cnn(C34C[C@@H]5CC(C[C@@H](C5)C3)[C@@H]4C(=O)O)c(=O)c2Cl)cc1 9266481 NQIIUJFRROHBSQ-QCYXHCCESA-N 443.887 3.575 0 40 IHAB CCCc1nnc2n1N[C@@H](c1ccc(OC)cc1)[C@@H](C(=O)Nc1ccccc1OC)S2 9295131 OLWMFSFCFAQUDG-PMACEKPBSA-N 439.541 3.646 0 40 IHAB Cc1c(Cl)cccc1N1C[C@H](C)Cn2c1nc1c2c(=O)n(Cc2ccccc2)c(=O)n1C 9519281 OYIMEBGIUPEGDO-HNNXBMFYSA-N 449.942 3.695 0 40 IHAB O=C(COc1ccc2c(=O)c(-c3ccccc3)coc2c1)N1CCN(c2ccccn2)CC1 9530566 UTFIUPXLXGHTBZ-UHFFFAOYSA-N 441.487 3.583 0 40 IHAB biogenic COc1ccc(/C=C/C(=O)OCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1OC 9561772 MYVDZVDAIHMFOS-CSKARUKUSA-N 426.494 3.637 0 40 IHAB CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3ccc(C)cc3O)cc2)cc1 9614050 HGNFEPYGQCLANE-UHFFFAOYSA-N 438.505 3.634 0 40 IHAB Cc1cc(F)ccc1S(=O)(=O)NC[C@@H](c1cccs1)S(=O)(=O)c1cccs1 9742669 DUGPCRNZJZEGBY-INIZCTEOSA-N 445.584 3.751 0 40 IHAB O=C(NC1CCC(O)CC1)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1 9963072 USSJKJWCRVHTIL-UHFFFAOYSA-N 430.430 3.986 0 40 IHAB O=C(c1ccccc1)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 9981243 MWSSYNSSRMGSQX-UHFFFAOYSA-N 432.851 3.506 0 40 IHAB CCc1ccc2c(COC(=O)CCC(=O)N3CCC(c4ccccc4)=N3)cc(=O)oc2c1 10016063 DTRYXNCOZMHXRK-UHFFFAOYSA-N 432.476 3.815 0 40 IHAB Cc1ccc(CN(c2ccc(C(=O)NCCCN3CCCCC3)cc2)S(C)(=O)=O)cc1 10278482 QVLMJOGONCUIFF-UHFFFAOYSA-N 443.613 3.567 0 40 IHAB Cc1nn(-c2ccc(N3CCN(C(=O)c4cccc(C(F)(F)F)c4)CC3)nn2)c(C)c1C 11027660 UVCJRGWVRMBZHU-UHFFFAOYSA-N 444.461 3.569 0 40 IHAB COC(=O)Cc1csc(NC(=O)Cc2c(C)c3cc4c(C)coc4cc3oc2=O)n1 12296718 KQCRQPAIMMVSNM-UHFFFAOYSA-N 426.450 3.509 0 40 IHAB biogenic CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)N2CCN(c3cccc(OC)c3)CC2)CC1=O 12538161 BHYNISNZYVEFRQ-UXHICEINSA-N 435.568 3.910 0 40 IHAB COc1cccc(N(C(=O)c2csnn2)[C@H](C(=O)NC(C)(C)C)c2cccs2)c1 12637738 DSIJEPVILOCUTN-KRWDZBQOSA-N 430.555 3.911 0 40 IHAB Cc1ccc([C@H](C(=O)NC(C)(C)C)N(Cc2ccc(F)cc2)C(=O)c2csnn2)o1 12638121 PMVKRBNEAKIBFD-GOSISDBHSA-N 430.505 3.877 0 40 IHAB CCc1nnc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(C)c(C)c2)s1 12643273 IIBSVKALJXLIBQ-UHFFFAOYSA-N 425.543 3.577 0 40 IHAB Cc1ccccc1-c1nnc(SCC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)o1 12697447 KLVUCTZWIAAKSZ-UHFFFAOYSA-N 437.930 3.833 0 40 IHAB COc1ccc(C(=O)N[C@@H](C(=O)NC[C@H](c2ccccc2Cl)N(C)C)C(C)C)cc1 12768071 DOKZGVBGPQDYRE-NHCUHLMSSA-N 431.964 3.522 0 40 IHAB C[C@@H]1C[C@H]1C(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OCC(F)(F)F 12784949 YMDWRZWERPPICJ-UKRRQHHQSA-N 434.480 3.787 0 40 IHAB Cc1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3N2[C@H](C)C(=O)NC2CCCC2)c(C)c1 13018524 RYBNBHFZBHMLIX-JPYJTQIMSA-N 448.567 3.907 0 40 IHAB Cc1cc(C(=O)CN(C)Cc2nc3ccccc3c(=O)[nH]2)c(C)n1CCc1cccs1 13120768 JTVPCHMBAXVJNL-UHFFFAOYSA-N 434.565 3.960 0 40 IHAB Cc1ccsc1CN(C)C(=O)CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O 13121044 XLSHXRJJSXZHFG-RUZDIDTESA-N 447.560 3.705 0 40 IHAB CC[C@@H](C(=O)Nc1cccc(C(=O)OC)c1C)N(c1cccc(Cl)c1)S(C)(=O)=O 13712548 HVQAZYAAIQBKFK-SFHVURJKSA-N 438.933 3.618 0 40 IHAB Cc1ccc(S(=O)(=O)CCC(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 14583314 PDJTWTAEOBUWHG-UHFFFAOYSA-N 444.534 3.692 0 40 IHAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 15418855 XUHHCQCBWVGUQA-UHFFFAOYSA-N 448.850 3.632 0 40 IHAB CN(C)C(=O)[C@@H](c1ccccc1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 15449884 JLBCOUDBZKRNJQ-QGZVFWFLSA-N 426.870 3.705 0 40 IHAB O=C(Nc1c(F)cccc1F)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 15913207 KKLDUCLMAUAPAR-QGZVFWFLSA-N 434.489 3.781 0 40 IHAB Cc1ccc(-c2nc(-c3ccc(C(N)=O)cc3)ncc2-c2nnnn2-c2ccccc2)cc1 16311054 TZORENFIRUKTHZ-UHFFFAOYSA-N 433.475 3.861 0 40 IHAB COc1cccc(NC(=O)CSc2nc3c(c(=O)n2Cc2ccccc2)SCC3)c1 16960424 HVAZXYIOLWBADL-UHFFFAOYSA-N 439.562 3.679 0 40 IHAB Cc1ccc(-c2cccc(C[C@]3(C(=O)N(C)C)CCN(C(=O)Cn4cc(C)cn4)C3)c2)cc1 19212564 HGVZXWZGFYANDR-HHHXNRCGSA-N 444.579 3.717 0 40 IHAB Cc1ccc([C@@H](NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)c2cccs2)cc1 19296753 USSPFKVDEFFJCK-RCZVLFRGSA-N 445.544 3.656 0 40 IHAB COc1ccc(CN2CCO[C@](Cc3cccc(-c4cccnc4)c3)(C(=O)N(C)C)C2)cc1 19580872 HHLCBIXOQOGEMR-MHZLTWQESA-N 445.563 3.659 0 40 IHAB COc1ccc(NC(=O)[C@@H]2C[C@H](C3CCN(Cc4cccc(OC)c4)CC3)N(C)C2)cc1 19587702 FUEYDAISFXSBBV-PXDATVDWSA-N 437.584 3.875 0 40 IHAB Cc1nc2ccccn2c1CC(=O)N1CCC[C@H](c2ccc(-c3ccc(N)nc3)cn2)C1 19689245 OBQNDUJYVZZNKC-FQEVSTJZSA-N 426.524 3.631 0 40 IHAB COc1cc(C)c(CN2CCO[C@@H](c3nc(N(C)C)ncc3-c3cncnc3)C2)c(C)c1C 19692952 FEPSIUAYVQAOGH-HSZRJFAPSA-N 448.571 3.507 0 40 IHAB O=C(NCCCc1ccc(F)cc1)c1ccc(C2CCN(C(=O)c3ccccn3)CC2)nc1 19752806 BAYDUWOMYWSQLL-UHFFFAOYSA-N 446.526 3.998 0 40 IHAB COc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3cc(C)no3)n2C[C@@H]2CCCO2)cc1 21906431 XDYLONCCBVTRCS-YOEHRIQHSA-N 443.529 3.548 0 40 IHAB O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)N1CCc2ccccc2C1 22030717 UABXAYFNKZACQX-UHFFFAOYSA-N 425.576 3.979 0 40 IHAB CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2F)cc1 22271383 VWPOOILSXSJAHI-JOCHJYFZSA-N 442.512 3.753 0 40 IHAB COc1cc(CN2CCN(C(O)(c3ccccc3)c3ccccc3)CC2)cc(OC)c1OC 22920319 GTABSWBOGRCCMI-UHFFFAOYSA-N 448.563 3.724 0 40 IHAB CCOC(=O)c1c(NC(=O)N2Cc3c(OC)ccc(OC)c3[C@H](O)C2)sc(C)c1C 24639267 NTGYRZHKYDHXDH-CQSZACIVSA-N 434.514 3.640 0 40 IHAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(COc2ccc(C)cc2)o1 24924571 UUFFBQVLJSMZGK-UHFFFAOYSA-N 444.509 3.678 0 40 IHAB COc1cc(C(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)cc(OC)c1OCc1ccccc1 25973317 VVEBGJHTCCNDTE-OALUTQOASA-N 442.556 3.512 0 40 IHAB O=C(CNC(=O)c1ccccc1)Nc1ncc(Cc2ccccc2Br)s1 26692339 BPHTWPQUXDDZSA-UHFFFAOYSA-N 430.327 3.865 0 40 IHAB O=S(=O)(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc2c(c1)CCCC2 28224778 RMHHZZOJDSYVJQ-UHFFFAOYSA-N 449.579 3.624 0 40 IHAB Cc1cccc(C)c1NC(=O)Cn1c(=O)nc(-c2ccco2)c2nc(N3CCCC3)sc21 32615515 SGOFQHRDFKFHSQ-UHFFFAOYSA-N 449.536 3.969 0 40 IHAB O=S1(=O)C[C@@H]2[C@H](C1)N=C(SCc1ccc(Br)cc1)N2c1ccccc1 32640840 GSUFPEYLZUGORW-DLBZAZTESA-N 437.384 3.724 0 40 IHAB COc1ccc(NC(=O)NCCC(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)cc1 32885622 JQQIMWYAUSUJHI-OAQYLSRUSA-N 444.963 3.814 0 40 IHAB CCOc1ccccc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1 38834324 JPXZOWOSWMRJLJ-FQEVSTJZSA-N 432.542 3.549 0 40 IHAB CCCn1c(=O)c2ccccc2n2c(SCc3nccn3Cc3ccccc3)nnc12 40067259 WCJOLTKTUCNQDS-UHFFFAOYSA-N 430.537 3.991 0 40 IHAB COc1cc(OC)c(C(=O)N2CCN(C(=O)Nc3ccc(C)c(Cl)c3)CC2)cc1OC 40139109 UKQDPWMGQNORMP-UHFFFAOYSA-N 447.919 3.664 0 40 IHAB O=C(CCCCCn1c(=S)[nH]c2ccccc2c1=O)Nc1cnn(C[C@H]2CCCO2)c1 40139428 PTSCXDHKVXTJAD-QGZVFWFLSA-N 441.557 3.634 0 40 IHAB CCOc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1cc(OC)ccc1OC 40485054 FJCBZXCJGJWFIF-OAQYLSRUSA-N 435.484 3.622 0 40 IHAB COc1ccc(C)cc1NC(=O)Cn1cccc(-c2nc(-c3ccc(F)cc3)no2)c1=O 49002473 WHSRIKHBFKHRKC-UHFFFAOYSA-N 434.427 3.660 0 40 IHAB Cc1sc2nc(CSc3ccc(Cl)cc3)nc(N3CCN[C@H](C(N)=O)C3)c2c1C 57607774 PDRIIYYOEKQFKS-HNNXBMFYSA-N 448.017 3.517 0 40 IHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NCCN1C(=O)S/C(=C/c2ccccc2)C1=O 69297698 LFWCQJKDEACWKA-RAOBZKRQSA-N 430.913 3.960 0 40 IHAB COc1cccc(C(=O)N2CCNC(=O)[C@@H]2Cc2ccccc2-c2cccc(C)c2)c1OC 72351612 JXTBRNZBXSHEJU-QHCPKHFHSA-N 444.531 3.863 0 40 IHAB CCOc1c(Br)cc(Cl)cc1NC(=O)Cn1ncc(=O)c2ccccc21 95348614 SGYNEMXUPKBUEC-UHFFFAOYSA-N 436.693 3.850 0 40 IHAB COC(=O)c1cccc(CCNC(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc34)C2)c1 95454272 ZEBJBDWFBTYSFM-JOCHJYFZSA-N 444.531 3.838 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC[C@@H]3c3nccn3C)cc2)cc1C 95456707 ULCKXNNBYZOCRN-OAQYLSRUSA-N 438.553 3.815 0 40 IHAB CN1CC[C@H]2CCN(c3nc(CN4CCOCC4)nc4scc(-c5ccccc5)c34)[C@@H]2C1 95466035 PAONISKTPOCKSH-PZJWPPBQSA-N 449.624 3.721 0 40 IHAB COc1cc([C@@H]2CC(=O)c3cnc4[nH]n(-c5ccccc5)c(=O)c4c3C2)cc(OC)c1OC 100130388 DYTXFCFILVTMCI-AWEZNQCLSA-N 445.475 3.652 0 40 IHAB CC(C)[C@@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2ccc(F)cc2)n1C 101164864 ASCKUSVNRUAXKJ-LJQANCHMSA-N 441.532 3.812 0 40 IHAB CSCC[C@@H](C(=O)Nc1nc2ccc(F)cc2s1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 101404548 JNZKBOVMUMNORJ-GUTXKFCHSA-N 435.546 3.671 0 40 IHAB Cn1c(=O)n(C)c2cc(C(=O)N[C@@H]3CC(C)(C)Cc4c3cnn4Cc3ccccc3)ccc21 105867948 LYPUPGDXOWELKW-HXUWFJFHSA-N 443.551 3.565 0 40 IHAB COc1ccc(C(=O)N2CC[C@H](C)[C@@H]3CCCC[C@@H]32)cc1S(=O)(=O)NC1CCCC1 107134546 PKRQLJVNYWNFHD-VDGAXYAQSA-N 434.602 3.957 0 40 IHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 216457290 DVXJAVKMTHDTAA-HXUWFJFHSA-N 429.473 3.818 0 40 IHAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCc1nc(-c2ccc(OC)cc2OC)no1 219333542 DUGTVVTZXKSZTN-LJQANCHMSA-N 425.485 3.844 0 40 IHAB CN(C(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl)c1ccc(F)cc1 222826168 CDOVCIYRMAPATE-UHFFFAOYSA-N 440.924 3.696 0 40 IHAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(OC)c(OC)c1 223187112 IFUQRTNMXLESEG-LJQANCHMSA-N 432.948 3.843 0 40 IHAB Cc1ccc(-c2nnc(NC(=O)c3ccc(N(C)S(C)(=O)=O)cc3Cl)s2)cc1 223193977 BSZULQFUHACSMU-UHFFFAOYSA-N 436.946 3.815 0 40 IHAB COc1cccc(CNS(=O)(=O)c2ccc(SC)c(C(=O)N3CCCCC3)c2)c1 223891539 QJTZHZLLFJTZSX-UHFFFAOYSA-N 434.583 3.522 0 40 IHAB CCCc1ccc(OCCNC(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1 224043079 VVIWVWSDLAQUOR-LJQANCHMSA-N 432.586 3.606 0 40 IHAB Cc1ccccc1OCCNC(=O)CCCN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 224807951 WIXPEGURIXVMFH-UHFFFAOYSA-N 442.940 3.529 0 40 IHAB CCOC(=O)c1cc(N(CC)S(=O)(=O)c2ccc(OC)c(OC)c2)ccc1Cl 224815928 RPRPGMKQRWQRJU-UHFFFAOYSA-N 427.906 3.749 0 40 IHAB COCCC(=O)N[C@@H]1C[C@H](c2ccc(OC)c(Cn3ccnc3C)c2)O[C@@H]2CCCC[C@@H]12 257307726 SZZMJNUJKNNQEP-XWVZOOPGSA-N 441.572 3.790 0 40 IHAB Cc1ccc(C(=O)N2Cc3cn(C(C)C)nc3C3(CCN(c4ncccn4)CC3)C2)cc1 306128253 GVJUPYLERBRCSR-UHFFFAOYSA-N 430.556 3.757 0 40 IHAB CCCCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(C)cc3)CC2=O)cc1 408636633 BJYHECQGVFAMLC-HXUWFJFHSA-N 437.492 3.731 0 40 IHAB C[C@H](NC(=O)COC(=O)c1ccc(N2C(=O)[C@H]3CC[C@@H](C)C[C@@H]3C2=O)cc1)c1ccccc1 408658220 IHTNKABJYUNEFX-CTOYSFNJSA-N 448.519 3.646 0 40 IHAB CN1CCN(C(=S)c2ccc(OCC(=O)Nc3cccc(Cl)c3Cl)cc2)CC1 409236856 GIHHPZZGLHRSCF-UHFFFAOYSA-N 438.380 3.934 0 40 IHAB O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)N1CCC[C@@H](c2nnc3n2CCC3)C1 512501524 KVYWFFWOWBMRFV-CQSZACIVSA-N 445.449 3.840 0 40 IHAB CC(=O)NCCCOc1ccc(CN2CCC[C@](O)(COc3ccc(C)cc3)CC2)cc1 585280592 QHELXABDACZIGA-AREMUKBSSA-N 440.584 3.696 0 40 IHAB O=C(Nc1cc(-c2ccccc2)[nH]n1)C1(NS(=O)(=O)c2cccc(F)c2)CCCCC1 1639289448 DAXXLRODIMLBCW-UHFFFAOYSA-N 442.516 3.836 0 40 IHAB CC(=O)N1CCC[C@@]1(Cc1ccccc1-c1ccccc1)C(=O)N(C)Cc1cc(C)[nH]n1 2037834628 WPSAFGRQTDHXER-AREMUKBSSA-N 430.552 3.967 0 40 IHAB COCCCN1CCC[C@@]2(CCCN(S(=O)(=O)c3cc(C)c(Cl)cc3C)C2)C1 2056223592 UVKJJUJNQACOGF-OAQYLSRUSA-N 429.026 3.860 0 40 IHAB O=C(NCc1ccco1)c1cc2nc(-c3ccc4c(c3)OCO4)cc(C(F)(F)F)n2n1 862912 GRVOHZQLIZJKLW-UHFFFAOYSA-N 430.342 3.667 0 40 IHAB COC(=O)CSc1nnc(CNc2cccc(C(F)(F)F)c2)n1Cc1ccco1 929982 VEFYZQSCSMWLBM-UHFFFAOYSA-N 426.420 3.815 0 40 IHAB O=C(Nc1nc2ccccc2s1)N[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 1447100 SKEDDHIRMFUFBO-MRXNPFEDSA-N 436.946 3.882 0 40 IHAB COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)NC(C)=C(C(=O)OC(C)C)[C@H]2c1cccc(Cl)c1 1460078 MCQCVMPSGLKXNX-JLBUNGTFSA-N 431.916 3.905 0 40 IHAB Nc1c(C(=O)NC[C@@H]2CCCO2)c2nc3ccccc3nc2n1Cc1ccccc1Cl 2195138 PHPLQFPFPFAINY-HNNXBMFYSA-N 435.915 3.777 0 40 IHAB COc1ccccc1N(C[C@H](O)COc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 2483274 NNJHIWSTINEANA-SFHVURJKSA-N 447.940 3.984 0 40 IHAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)[C@H](O)[C@H](O)C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 4276609 HSENALUPARAQJF-PHGHRUFFSA-N 426.594 3.716 0 40 IHAB CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3CCC[C@H](C)C3)cc2c1 6198104 PFYSSDAYXSPBCB-UUOWRZLLSA-N 442.567 3.947 0 40 IHAB O=C(CN1CCCCCC1)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl 8275269 LNYASZJUAVSQBV-UHFFFAOYSA-N 427.998 3.719 0 40 IHAB O=C1N[C@H](c2ccc(C(F)(F)F)cc2)[C@@H](C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 9086845 OIZHACYCJSJBLX-JJRVBVJISA-N 432.320 3.809 0 40 IHAB CC(C)COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)cc1 9170249 JQLQQPHSRFCNEI-UHFFFAOYSA-N 432.542 3.904 0 40 IHAB CC(C)[C@@H](NCC(=O)Nc1ccccc1C(=O)NC1CC1)c1ccc2c(c1)OCCCO2 9253103 CGVLKAWFMSBDET-XMMPIXPASA-N 437.540 3.666 0 40 IHAB Cc1cccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc(Br)c3)CC2=O)c1C 9257508 BVDNOGCUJYGBGL-OAHLLOKOSA-N 445.313 3.601 0 40 IHAB O=C(Cn1nnc(-c2ccc(F)cc2)n1)N1N=C(c2cccs2)C[C@@H]1c1cccs1 9513059 KODKSVHFJYAXEY-MRXNPFEDSA-N 438.513 3.980 0 40 IHAB O=C(Cn1nc(-c2ccc(Br)cc2)ccc1=O)NCc1ccc(Cl)cc1 10131961 QVTAIGCOQMYQCL-UHFFFAOYSA-N 432.705 3.643 0 40 IHAB O=C(COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)NC(=O)c1ccco1 10394592 GHUPPNKYXWZZJX-UHFFFAOYSA-N 433.342 3.550 0 40 IHAB Cn1cc(Cl)c([C@@H]2CCCCCN2S(=O)(=O)c2ccc(N3CCCC3=O)cc2)n1 12159691 MQFRMPVDSFHDDQ-SFHVURJKSA-N 436.965 3.506 0 40 IHAB Cc1cc(-c2csc(NC(=O)CN3CSCC3=O)n2)c(C)n1CCc1ccccc1 12388739 NIHCUABPAQZXBZ-UHFFFAOYSA-N 440.594 3.943 0 40 IHAB Cc1ccc(NC(=O)CN(C)C(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1 12567512 WGSUVXASTATTGA-UHFFFAOYSA-N 446.532 3.531 0 40 IHAB Cc1cc(C)cc(NC(=O)c2cccc(S(=O)(=O)NCc3ccc4c(c3)OCO4)c2)c1 12785093 MPYAYPWAUOIEDT-UHFFFAOYSA-N 438.505 3.763 0 40 IHAB O=C(Nc1ccc(-c2nnnn2C2CC2)cc1)c1nn(-c2ccccc2)c(=O)c2ccccc12 12853578 IUYYVXCAYHOELG-UHFFFAOYSA-N 449.474 3.626 0 40 IHAB CCC(C)(C)NC(=O)[C@@H](c1cccnc1)N(Cc1ccc(F)cc1)C(=O)c1csnn1 12872167 MWJOBYFKQXLFKF-LJQANCHMSA-N 441.532 3.761 0 40 IHAB Cc1ccc(S(=O)(=O)c2ccc(NNS(=O)(=O)c3cccc(Cl)c3)cc2)cc1 12875918 PJTKCIWTSCTVRL-UHFFFAOYSA-N 436.942 3.787 0 40 IHAB CCOc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12895807 NLCVHSUZNSNXBE-UHFFFAOYSA-N 428.554 3.613 0 40 IHAB COc1ccc(C(=O)N[C@@H](CN2CCOCC2)c2ccc(C)cc2)cc1Br 12925735 TZQPGFVIRKMLBY-IBGZPJMESA-N 433.346 3.569 0 40 IHAB CCCn1c(SCC(=O)Nc2ccc(N3CCOCC3)cc2)nnc1-c1ccoc1C 13512596 GFPUMBYSWIXMPS-UHFFFAOYSA-N 441.557 3.824 0 40 IHAB Cc1cc(C)c2cc(CN(C[C@H]3CCCO3)C(=S)NCc3ccco3)c(=O)[nH]c2c1 13556774 BSJZAFCNFSZZDF-LJQANCHMSA-N 425.554 3.794 0 40 IHAB COc1ccc2nc(-c3ccc(OC)c(NC(=O)[C@H](C)Oc4ccccc4F)c3)cn2n1 13710489 WAFSCPHRMJNKTG-AWEZNQCLSA-N 436.443 3.959 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)[C@@H](CC)N(c2ccccc2)S(C)(=O)=O)cc1 13711694 UKPPQLAXNGJRRI-HXUWFJFHSA-N 432.542 3.827 0 40 IHAB CC[C@@H](C(=O)NCCSCc1ccco1)N(c1cccc(Cl)c1)S(C)(=O)=O 13712390 ANDZGTAVMPDRQH-KRWDZBQOSA-N 430.979 3.527 0 40 IHAB COc1cc(OC)c(OC)cc1/C=C/C(=O)Nc1cccc(Cl)c1N1CCOCC1 14126560 NUBBIKADXVICRB-BQYQJAHWSA-N 432.904 3.854 0 40 IHAB Cc1ccc(N([C@@H](C)C(=O)NCCSCc2ccccc2C)S(C)(=O)=O)cc1C 14154280 OQINNHKDFPWOMS-IBGZPJMESA-N 434.627 3.816 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)c2ccc(OC(F)F)cc2)c1 14867349 PSODPSSMBGUDGL-UHFFFAOYSA-N 441.500 3.637 0 40 IHAB CCOc1ccc([C@H](C)NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1OCC 15471207 XRHLFQLDLQDXTA-KRWDZBQOSA-N 446.569 3.760 0 40 IHAB COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)OCc2cc(=O)oc3c(C)c(C)ccc23)cc1 15747448 QYENUWQIXCQUJS-UEICXMAYSA-N 435.476 3.680 0 40 IHAB Cc1cc(O[C@H](C)C(=O)N(Cc2ccccc2F)[C@@H]2CCS(=O)(=O)C2)ccc1Cl 16806601 ZCPIHXJQQDDYRO-NVXWUHKLSA-N 439.936 3.771 0 40 IHAB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccc(F)cc1 18125744 KMLFMRFINBLGFQ-IAGOWNOFSA-N 440.858 3.670 0 40 IHAB O=C1[C@@H]2[C@@H](C(=O)N1c1cccc(Cl)c1)N1CCCN1[C@@H]2c1ccc(Br)cc1 19171417 LTXBXKMAYZVNNP-KSZLIROESA-N 446.732 3.638 0 40 IHAB COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2CCCCN2C(=O)c2cnc(C)cn2)cc1 19694409 JKGYZYDIYSNBEG-NRFANRHFSA-N 432.528 3.684 0 40 IHAB CNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(C(=O)COc2ccccc2)CC1 19700142 WVNSZCUESCUNJC-UHFFFAOYSA-N 443.547 3.725 0 40 IHAB CC(C)NC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(C(=O)[C@H]2CCCCO2)CC1 19700187 WGDAGVIOMKIKNL-XMMPIXPASA-N 449.595 3.994 0 40 IHAB Cc1nc(N)c2ccc([C@@H]3CCCN(C(=O)C4(c5ccccc5F)CCOCC4)C3)nc2n1 19743601 MZLGAUVGHWZMDJ-QGZVFWFLSA-N 449.530 3.509 0 40 IHAB CCN(CC)C(=O)c1cnc([C@H]2CCN(C(=O)c3ccc4[nH]c(C(C)C)nc4c3)C2)nc1C 19757324 CUSMFDFSVJENFP-SFHVURJKSA-N 448.571 3.896 0 40 IHAB CCc1ccc(NC(=O)C[C@H]2C(=O)N(CCCn3ccnc3)c3nc4ccccc4n32)cc1 19819467 FEMLTSWYWYVEGG-QFIPXVFZSA-N 442.523 3.802 0 40 IHAB O=C(O)c1ccc(-n2nnnc2SCC(=O)c2ccc([C@H]3CC3(Cl)Cl)cc2)cc1 19854605 PTLPLXYVOITDQV-OAHLLOKOSA-N 449.319 3.997 0 40 IHAB CCC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1OC 20009889 VZNRBEOPQUGAFV-QAPCUYQASA-N 438.977 3.543 0 40 IHAB COc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 20021270 NJIPMJNAKWIKKQ-SFHVURJKSA-N 446.569 3.516 0 40 IHAB O=C(CN1c2ccc(Cl)cc2-c2ccccc2S1(=O)=O)Nc1ccc2c(c1)OCO2 20063126 WNZQDLDVNFGEDK-UHFFFAOYSA-N 442.880 3.883 0 40 IHAB COc1ccccc1NC(=O)Cn1cc(C(=O)c2ccccc2)c(=O)c2ccc(C)nc21 20579501 GMKMFPNLSQEIGJ-UHFFFAOYSA-N 427.460 3.583 0 40 IHAB Cc1cc(C)cc(N2C(=O)N(Cc3cccc(C(F)(F)F)c3)[C@H]3CS(=O)(=O)C[C@@H]32)c1 20581576 RPAQFZZWAXYVRF-OALUTQOASA-N 438.471 3.930 0 40 IHAB COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1 20714874 KHTZXSJJPXANJV-PZJWPPBQSA-N 438.915 3.505 0 40 IHAB COc1cccc(N(CC(=O)N[C@H](C)c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1 22428628 UQCHNAXFEVVDPR-QGZVFWFLSA-N 442.512 3.907 0 40 IHAB COc1cc(NC(=S)NC(=O)c2ccc(F)cc2)ccc1N1C(=O)c2ccccc2C1=O 22527952 YGGCNHBRIMSLEV-UHFFFAOYSA-N 449.463 3.762 0 40 IHAB O=C(CN1CCOCC1)Nc1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)cc1 23011052 HPSDRXQFIDCMBT-UHFFFAOYSA-N 445.519 3.789 0 40 IHAB COc1cccc([C@H](c2sc3nc(C)nn3c2O)N2CCN(c3ccccc3)CC2)c1 23157897 IDIXUNFOOSYCPJ-HXUWFJFHSA-N 435.553 3.725 0 40 IHAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 26567666 JHKXOVUXEFIKDS-NRFANRHFSA-N 442.563 3.892 0 40 IHAB C[C@H]1c2cccn2CCN1C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](C)C2)c1 30266016 KSCNGRCDSWJTJF-CVEARBPZSA-N 435.977 3.779 0 40 IHAB Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1NC(=O)c1ccccc1 32827237 HULBLRDDGOVPIM-UHFFFAOYSA-N 427.504 3.846 0 40 IHAB CC(C)c1ccccc1NC(=O)CSc1nnc(-c2ccc3c(c2)OCCO3)c(O)n1 32836343 TULXLPIULFBLGN-UHFFFAOYSA-N 438.509 3.870 0 40 IHAB COc1ccc(/C=C/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc1 33704425 UQUQNHVIHLEGOT-IADTVLOPSA-N 434.517 3.873 0 40 IHAB CC(C)Cn1c(=O)c2sccc2n2c(CCC(=O)NCc3ccccc3Cl)nnc12 35528519 TVRNMCXWUBGJTQ-UHFFFAOYSA-N 443.960 3.664 0 40 IHAB Cc1nn(-c2ccc3nnc(C)n3n2)c2c1[C@@H](c1ccccc1OC(F)(F)F)CC(O)=N2 40288276 PTCAAQWKVRTXEK-CYBMUJFWSA-N 443.389 3.949 0 40 IHAB COc1ccc(S(=O)(=O)N[C@@H](CC(C)C)c2ccccc2)cc1C(=O)N1CCCC1 44844469 SCLNLEBWXGZKBO-NRFANRHFSA-N 430.570 3.997 0 40 IHAB C[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc(S(C)(=O)=O)cc1 44857070 ZCLAYDYXWMPHNT-VQIMIIECSA-N 434.989 3.833 0 40 IHAB Cc1cccc(NC(=O)c2cn(CC(=O)NCc3ccccc3)c3nc(C)ccc3c2=O)c1 49002111 ZCYSBUCMOGCAHA-UHFFFAOYSA-N 440.503 3.582 0 40 IHAB CCn1c(SCC(=O)NCc2ccc(F)cc2)nc2c(-c3ccccc3)c[nH]c2c1=O 57523101 TUGYSKQXUFZVHF-UHFFFAOYSA-N 436.512 3.959 0 40 IHAB Cc1c(NC(=O)NCc2cccnc2N2CCOCC2)cccc1NC(=O)c1ccccc1 58393811 TUDZHJJFMUQARM-UHFFFAOYSA-N 445.523 3.801 0 40 IHAB COc1cc2ncn(CCCC(=O)Nc3c(C)cccc3OC(F)F)c(=O)c2cc1OC 60340862 XIRCFTQXQBRGGI-UHFFFAOYSA-N 447.438 3.742 0 40 IHAB Cc1cc2nc(SCC(=O)Nc3ccc4c(c3)CCC4)n(Cc3ccco3)c(=O)c2[nH]1 67236578 IPTFUSJUOUTZRO-UHFFFAOYSA-N 434.521 3.894 0 40 IHAB CCc1noc(-c2cc(Cl)ccc2NS(=O)(=O)c2ccc(F)c(C(=O)O)c2)n1 89295482 WFVSBXQHEMOYLG-UHFFFAOYSA-N 425.825 3.591 0 40 IHAB COc1cc(OC)c(OC)cc1/C=C1/N=C(c2ccc(OC(F)F)c(OC)c2)OC1=O 97987606 LZPPQTBOFCTWSE-NTUHNPAUSA-N 435.379 3.667 0 40 IHAB Cc1cccc(OC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1C 102077383 ARPHJUDYPUBJMP-JVSPOQEVSA-N 441.527 3.873 0 40 IHAB CCOc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3ccc(O)cc3)C2=O)cc1 102706602 RIWJAXKQAMZFDW-RJGXRXQPSA-N 430.460 3.842 0 40 IHAB O=C(c1ccccc1)[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2[C@H]2CCCN21 138732942 DURIVYJWBKVZRM-FCGDIQPGSA-N 429.303 3.829 0 40 IHAB COC[C@]1(C(N)=S)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218622538 SFGHIZLBYZSJPD-RYRKJORJSA-N 430.378 3.852 0 40 IHAB COC[C@@]1(C(N)=S)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218624580 OXOAOMWXKDCWAE-SOLBZPMBSA-N 430.378 3.852 0 40 IHAB COc1cccc(N([C@H](C)C(=O)Nc2ccc(OC3CCCC3)cc2)S(C)(=O)=O)c1 220181038 RLSMBZJMHHKJRA-MRXNPFEDSA-N 432.542 3.810 0 40 IHAB Cc1sc2ncc(C(=O)NCCCNc3ccnc4cc(Cl)ccc34)c(=O)n2c1C 223039053 VCEIMLGRSNTLLK-UHFFFAOYSA-N 441.944 3.806 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)Cc3ccccc3C)cc2)cc1 224546396 RWJHHBMWMREUOD-UHFFFAOYSA-N 446.550 3.746 0 40 IHAB CCc1cc(Br)cc(C)c1NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1 226056531 KGKKDHOQLLPNCJ-UHFFFAOYSA-N 443.338 3.718 0 40 IHAB COc1cccc(C(=O)NC[C@H]2CC[C@H](c3ccnc4nc(C(F)(F)F)nn43)CC2)c1 257209460 BQLQAQNHVMUOJM-HDJSIYSDSA-N 433.434 3.856 0 40 IHAB O=C1CO[C@@]2(CCN(C(=O)C3(c4ccccc4F)CCCC3)C2)CN1Cc1ccccc1 257234135 GSHKMJBFWCGOJO-RUZDIDTESA-N 436.527 3.668 0 40 IHAB COc1ccc(OC)c(NC(=O)CNC(=O)c2ccc(COc3ccc(Cl)cc3)o2)c1 408559628 AIGMXNHBIHAPGJ-UHFFFAOYSA-N 444.871 3.898 0 40 IHAB COc1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)cc1Cl 408600658 BUDFFPXWDVKBEQ-FQEVSTJZSA-N 444.940 3.877 0 40 IHAB C[C@H](CCc1ccccc1)NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 408617257 CICGFCFXNWYPPT-OAHLLOKOSA-N 428.476 3.609 0 40 IHAB Cc1cccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@H]4C3=O)c2)c1 408657734 HNQKIYQHXYHKKP-MAODMQOUSA-N 434.492 3.716 0 40 IHAB COC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2cccc3ccccc23)cc1 408665650 VGLVIBXYYLYHFO-UHFFFAOYSA-N 434.448 3.527 0 40 IHAB Cc1cccc(CSCCNC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)c1 408922761 GUMYCJMMYPMUII-UHFFFAOYSA-N 441.018 3.772 0 40 IHAB CC(C)Oc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(Cl)cc3)CC2=O)cc1 409123985 IOCXMCIEYVKTMS-HNNXBMFYSA-N 430.888 3.662 0 40 IHAB O=C(CSc1nnc(CCc2ccccc2)n1-c1ccc(F)cc1)NC[C@H]1CCCO1 409214490 XNYFRIUOFXTVHQ-HXUWFJFHSA-N 440.544 3.579 0 40 IHAB COc1ccc(CCNC(=O)[C@H]2CN(C)C[C@H]2c2ccc(CNC3CCCC3)cc2)cc1 585169188 CZRLDURDFZEVIG-UIOOFZCWSA-N 435.612 3.732 0 40 IHAB Cn1cc(CC(=O)N2CC(n3nc(-c4ccc(Cl)cc4)ccc3=O)C2)c2ccccc21 1775978523 SXDAUYVCGNXDOQ-UHFFFAOYSA-N 432.911 3.681 0 40 IHAB O=C(Nc1nc(-c2ccccc2)cc(C(F)(F)F)n1)NS(=O)(=O)c1ccc(F)cc1 1074987 NHLWVTUJBCLMLB-UHFFFAOYSA-N 440.378 3.812 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(OC(F)F)cc1 1465957 QWUYBGBBAWUVHG-UHFFFAOYSA-N 425.438 3.798 0 40 IHAB O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(Cl)cc1 1470222 CGEUSYXCUNWKIR-UHFFFAOYSA-N 435.929 3.944 0 40 IHAB CCCOC[C@@H]1C[C@]2(C[C@@](C)(c3csc(Cc4ccccc4OC)n3)OC2=O)C(=O)O1 2107586 AUOVLTAQTPUHOW-GMWOSMDTSA-N 445.537 3.633 0 40 IHAB biogenic COc1cc([C@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc(Br)c1OC 2119403 PNZVVNMGDOMIBA-DOTOQJQBSA-N 431.286 3.636 0 40 IHAB biogenic CC[C@@H]1SC2=NC(C)=C(C(=O)OCC(C)C)[C@H](c3ccc(OC(C)=O)cc3)N2C1=O 2702448 IYNKROIZPBWORX-HKUYNNGSSA-N 430.526 3.850 0 40 IHAB COc1ccc(C(C)=O)cc1COC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 3575868 RIEDAZWAEVPMBP-UHFFFAOYSA-N 445.537 3.820 0 40 IHAB CC(C)NC(=O)N1C[C@@H]2C[C@H](C1)c1ccc(-c3ccc(OC(F)(F)F)cc3)c(=O)n1C2 5414998 FZBYCMCIEDXRJB-GOEBONIOSA-N 435.446 3.951 0 40 IHAB biogenic,in-vitro COc1cc(OC)cc(-c2nnc(SCC(=O)Nc3cc(OC)ccc3OC)o2)c1 6924503 UBGWQNLXMPZMDX-UHFFFAOYSA-N 431.470 3.502 0 40 IHAB CC[C@H](C)N1C(=O)S/C(=C/c2cc(Br)ccc2OCC(=O)OC)C1=O 8400710 JWHPUQQRKMSYBX-CEITULEQSA-N 428.304 3.836 0 40 IHAB Cc1nc2c(=O)n(CC(=O)NCCc3ccccc3)nc(-c3ccc(Cl)cc3)c2s1 8955266 WUPSTVABXYEKSI-UHFFFAOYSA-N 438.940 3.841 0 40 IHAB COc1ccc2c(C)c(CCC(=O)NC3CCN(Cc4ccccc4)CC3)c(=O)oc2c1 8994212 WGPJPNARKLDSKB-UHFFFAOYSA-N 434.536 3.823 0 40 IHAB CC(C)(C)OC(=O)N1CCC(C(=O)N[C@H](C(=O)O)c2ccccc2)(c2ccccc2)CC1 9237092 KACRPTLABQJCPU-FQEVSTJZSA-N 438.524 3.897 0 40 IHAB Cc1nnc2n1N[C@@H](c1ccc(F)cc1)[C@H](C(=O)Nc1ccc(Br)cc1)S2 9237654 GSFIYJRYAKUIHT-JKSUJKDBSA-N 448.321 3.886 0 40 IHAB O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)Nc1ccc(Cl)cc1F 9283442 SDJGMSFOFYLWRY-UHFFFAOYSA-N 437.858 3.913 0 40 IHAB CC(C)c1ccccc1OCc1nnc(SCC(=O)Nc2nnc(C3CC3)s2)n1C 9289968 ZKOMEHARVSZLDO-UHFFFAOYSA-N 444.586 3.977 0 40 IHAB Cc1nnc(NC(=O)CSc2nnc(COc3c(C)cccc3C)n2C(C)C)s1 9303870 ZKJJPOBBYLFSTB-UHFFFAOYSA-N 432.575 3.946 0 40 IHAB O=C(Nc1cc(=O)[nH]c2nc(COc3ccccc3)nn12)c1ccc(Cl)cc1Cl 9319951 VSWYCRDFYNWSEV-UHFFFAOYSA-N 430.251 3.556 0 40 IHAB O=C(NCCCn1ccc2ccccc21)c1ccc(S(=O)(=O)NCc2ccco2)cc1 9468498 BTAASHBVBSQGRM-UHFFFAOYSA-N 437.521 3.533 0 40 IHAB CCCCNc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)Cc1ccc(OC)cc1 9493961 VPZBHWROVWITIW-UHFFFAOYSA-N 445.585 3.873 0 40 IHAB COc1cc2c(cc1OC)CN(C(=O)[C@H]1CC(=O)N(c3cccc4ccccc34)C1)CC2 9500417 WFXZBRGFLXXZAE-FQEVSTJZSA-N 430.504 3.795 0 40 IHAB CCOC(=O)c1c(NC(=O)[C@H](C)Sc2nnc(N)s2)sc2c1CC[C@@H](C)C2 9597097 HVBAHOGBCKKYIM-BDAKNGLRSA-N 426.589 3.603 0 40 IHAB CCS(=O)(=O)c1ccc(-c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2)nn1 9787068 BYSXILGBORVPNC-UHFFFAOYSA-N 431.901 3.608 0 40 IHAB Cc1ccc(C2=NN(C(=O)Cn3cnc4cc(F)ccc4c3=O)[C@H](c3ccco3)C2)cc1 9834378 PGJUOOYELLAIQR-NRFANRHFSA-N 430.439 3.815 0 40 IHAB COc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)N2Cc2ccco2)cc1 9849809 LGMTXFVNHIKDKD-NRFANRHFSA-N 449.463 3.663 0 40 IHAB COc1cc(CNC(=O)CCn2c(-c3ccc(C)cc3)n[nH]c2=S)cc(OC)c1OC 9888134 UUQQUMJTCCKWQX-UHFFFAOYSA-N 442.541 3.648 0 40 IHAB Cc1ccc(C(=O)NCCSCc2c(F)cccc2Cl)cc1NS(C)(=O)=O 10314456 WVRFENJYXZCOSW-UHFFFAOYSA-N 430.954 3.822 0 40 IHAB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)OCC(=O)Nc2cc(C)on2)cc1 10385711 MMNMWMAKKKRASX-UHFFFAOYSA-N 432.436 3.640 0 40 IHAB O=C(OCc1c(F)c(F)c(F)c(F)c1F)c1cccc(S(=O)(=O)N2CCCCC2)c1 11455822 BXEIIPHNKHSVEY-UHFFFAOYSA-N 449.397 3.914 0 40 IHAB Cc1ccc(F)cc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 11652585 XPCVOEWBJVQJSI-KRWDZBQOSA-N 441.322 3.688 0 40 IHAB COc1cc(CN2CCC(c3cc(N)n4nc(C(C)(C)C)cc4n3)CC2)cc2c1OCO2 12154673 XEIGZFGKJQYSMC-UHFFFAOYSA-N 437.544 3.726 0 40 IHAB COc1cccc(-c2cc(C(=O)N3CCC[C@H]([C@H](NC(C)=O)c4nccs4)C3)no2)c1 12158142 LRWONUWWPQGDCM-JXFKEZNVSA-N 440.525 3.536 0 40 IHAB COc1ccc(CC(=O)N2CC[C@@H](c3cc4nc(C)cc(C(F)(F)F)n4n3)C2)cc1OC 12257880 GNCYYGNBYRPCRD-OAHLLOKOSA-N 448.445 3.632 0 40 IHAB COc1cc(OC)c([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3ncnn32)cc1OC 12467836 PQMIKCYZTBFGFU-QFIPXVFZSA-N 449.511 3.848 0 40 IHAB CNC(=O)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2cccc3cc(C)cnc23)cc1 12522641 MZLBUOORQHZBHN-UHFFFAOYSA-N 449.532 3.887 0 40 IHAB CN(CC(=O)Nc1ccccc1Br)S(=O)(=O)c1ccc(F)c(Cl)c1 12633505 YCFYYLXCOYHOAI-UHFFFAOYSA-N 435.702 3.501 0 40 IHAB COc1cccc(OC)c1OC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 12752390 WKSJTHXOJQXJSU-HZPDHXFCSA-N 433.526 3.590 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2csc(-c3cccs3)n2)c1 12771406 UZNIOSIAHQYKIM-UHFFFAOYSA-N 437.568 3.860 0 40 IHAB Cc1ccc(C(C)C)c(OCC(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)c1 12800069 FMWNMVHFQWGGAR-SFHVURJKSA-N 437.540 3.720 0 40 IHAB CCC(C)(C)NC(=O)[C@H](c1cccc(OC)c1)N(C(=O)c1csnn1)C1CCCC1 12873741 MTZSETIEVOOSKZ-IBGZPJMESA-N 430.574 3.978 0 40 IHAB Cc1ccc(CN(CCc2ccccc2)S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)s1 12942163 VCZXQYSEHBMNNU-UHFFFAOYSA-N 449.619 3.894 0 40 IHAB COc1ccc(-c2nc(C(=O)N3CCN(Cc4ccc(OC)c(F)c4)CC3)cs2)cc1 12979484 BACQWLPZWPGKFA-UHFFFAOYSA-N 441.528 3.924 0 40 IHAB COc1ccc(CC[C@@]2(C)NC(=O)N([C@@H](C)C(=O)Nc3ccc(Cl)cc3)C2=O)cc1 13164961 CKDLHFROIRVICL-RCDICMHDSA-N 429.904 3.619 0 40 IHAB Fc1ccccc1[C@@H](c1nnnn1Cc1cccs1)N1CCN(c2ccccc2)CC1 13505344 JTUPYWUCNOMBNE-QFIPXVFZSA-N 434.544 3.834 0 40 IHAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c1C 13647332 IHOANDGVLNCUFM-CQSZACIVSA-N 438.933 3.618 0 40 IHAB CC(C)c1ccc(N(CC(=O)NCCSCc2ccccc2F)S(C)(=O)=O)cc1 13668532 XANOFCJKMPNGAK-UHFFFAOYSA-N 438.590 3.765 0 40 IHAB COc1ccc(N(CC(=O)N(C)c2ccccc2)S(=O)(=O)c2ccccc2)cc1OC 13669527 PANDRYUTGNTQHN-UHFFFAOYSA-N 440.521 3.562 0 40 IHAB CS(=O)(=O)Nc1nc2ccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2s1 13690661 HNAGAKDEEXJGQG-UHFFFAOYSA-N 431.417 3.819 0 40 IHAB O=C(CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1ccc(N2CCCC2)cc1 15523879 ZZQTVJUHEINIGU-UHFFFAOYSA-N 447.505 3.851 0 40 IHAB COc1ccc(S(=O)(=O)[C@H](CNC(=O)COc2ccccc2C)c2cccs2)cc1 17136054 UONJPFHMZKHPJN-OAQYLSRUSA-N 445.562 3.775 0 40 IHAB COc1ccccc1OCC(=O)N1CCC[C@H]([C@@H]2C[C@H](C(F)F)n3nc(C)cc3N2)C1 19127960 IBQJNICVPKBCSK-YESZJQIVSA-N 434.487 3.508 0 40 IHAB O=C(CN1Cc2ccccc2C1=O)N[C@@H]1CCCc2c1cnn2Cc1ccccc1Cl 19375562 LGOYEJUFXNRTIE-OAQYLSRUSA-N 434.927 3.734 0 40 IHAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](c2ccc(Cc3ccc(F)cc3)cn2)C1 19690240 WXFZVEWLGXHMOB-IBGZPJMESA-N 429.517 3.985 0 40 IHAB Cc1nc([C@@H]2CCCN(C(=O)COc3ccccc3)C2)ncc1C(=O)Nc1ccccc1 19751921 KFEVEBFLIYVASR-LJQANCHMSA-N 430.508 3.822 0 40 IHAB CCN(CC(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(OC)c(C)c1 19929734 NGUDCMPVFVEDCQ-UHFFFAOYSA-N 430.448 3.672 0 40 IHAB CSc1ccc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 20017774 RYSQWPFABZSIPA-QGZVFWFLSA-N 432.611 3.995 0 40 IHAB CS(=O)(=O)N(CC(=O)N[C@H]1CCCc2ccccc21)c1cccc(C(F)(F)F)c1 20107519 CWJOIXARPYVQNT-SFHVURJKSA-N 426.460 3.665 0 40 IHAB Cc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCN2CCOCC2)cc1 20308235 JWJUOKZQQZNWDY-OAQYLSRUSA-N 438.911 3.632 0 40 IHAB COc1cc(-c2nnc(S[C@@H]3CCc4ccccc4NC3=O)o2)cc(OC)c1OC 20726421 ZMRUEYIWGXRHIB-QGZVFWFLSA-N 427.482 3.808 0 40 IHAB CNS(=O)(=O)c1cc(-c2ccc(N3CCC(Cc4ccccc4)CC3)nn2)ccc1C 20728122 KCYBIOWWRFYVKX-UHFFFAOYSA-N 436.581 3.819 0 40 IHAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccc(-c3nc4ccccc4o3)cc1)C2=O 22283670 MKBRMXLSXVLYMV-OWJWWREXSA-N 432.480 3.934 0 40 IHAB CCC(C)(C)n1nnnc1[C@@H](c1ccccc1OC)N1CCN(Cc2ccccc2)CC1 22928796 KIBZDNVWXBKESL-HSZRJFAPSA-N 434.588 3.734 0 40 IHAB O=C(CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O)NCc1ccc(Cl)cc1 24607950 QJTPYLNRYJZACX-UHFFFAOYSA-N 430.888 3.971 0 40 IHAB CN(CC(=O)N1CCC(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(Cl)s1 28199093 AGPHXOOUZQYXBA-UHFFFAOYSA-N 426.991 3.503 0 40 IHAB CN(CC(=O)Nc1ccccc1Cl)C(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 31418493 GHSZXXKNZDVNOE-QGZVFWFLSA-N 435.911 3.943 0 40 IHAB COCCCNC(=O)CN(C)c1ncnc2cc(-c3ccc(Br)cc3)sc12 32888308 KLVOMEBMFXCBKY-UHFFFAOYSA-N 449.374 3.710 0 40 IHAB CCC(=O)c1ccc(OC[C@@H](O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 32907315 IUKSTTTVCVYONS-HOCLYGCPSA-N 426.538 3.615 0 40 IHAB Cc1nn(-c2ccccc2)nc1C(=O)Nc1nc(C)c(Cc2ccc3c(c2)OCO3)s1 32988019 OIHNZFUUWWVIJK-UHFFFAOYSA-N 433.493 3.912 0 40 IHAB CCc1ccc(-n2ncc3c(=O)n(Cc4nc(-c5ccc(C)c(C)c5)no4)cnc32)cc1 33293102 FLPDECSBTKGGEI-UHFFFAOYSA-N 426.480 3.860 0 40 IHAB O=C(NCCc1ccccc1)[C@@H](c1ccco1)N(C(=O)c1csnn1)c1ccccc1 35292260 CWGRMJCBFFEVMB-OAQYLSRUSA-N 432.505 3.878 0 40 IHAB CC(C)Cn1c(=O)c2sccc2n2c(CCC(=O)NCc3ccc(Cl)cc3)nnc12 35528531 VRRARBLXHVNIIA-UHFFFAOYSA-N 443.960 3.664 0 40 IHAB COC(=O)c1ccc(NC(=O)[C@@H]2CC(O)=Nc3c(C)c(-c4ccc(OC)cc4)nn32)cc1 35684364 PNUKAVLOMLIZSA-SFHVURJKSA-N 434.452 3.825 0 40 IHAB CCc1ccc(S(=O)(=O)NCC2CCN(C(=O)Nc3ccccc3OC)CC2)s1 43962032 DIOCPFHHNAAZBK-UHFFFAOYSA-N 437.587 3.542 0 40 IHAB COc1ccc(CNC(=O)c2ccc(Oc3nccnc3N3CCSCC3)cc2)cc1 49006002 FUOFBWYONZGSKM-UHFFFAOYSA-N 436.537 3.761 0 40 IHAB COc1cccc(/C=C2\SC(=O)N(CCC(=O)Nc3ccc4nccnc4c3)C2=O)c1 54361015 VBASKDNNNOALNQ-UNOMPAQXSA-N 434.477 3.704 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1N1CCN(C(=O)c2cc3ccccc3oc2=O)CC1 56907910 QQIMXSMYTISICF-UHFFFAOYSA-N 428.492 3.558 0 40 IHAB O=C(Cn1c(=O)n(-c2cccc(Cl)c2)c(=O)c2sccc21)Nc1cccc(F)c1 57491580 HTKDGZSLUDINDR-UHFFFAOYSA-N 429.860 3.645 0 40 IHAB CCN(CCNC(=O)Nc1ccc(C)c(NC(=O)NCCN(CC)C(C)C)c1)C(C)C 58310407 KOMTUOWIPUYITK-UHFFFAOYSA-N 434.629 3.699 0 40 IHAB COc1ccc([C@H]2CC(=O)Nc3c(C(=O)O)cn(-c4cc(F)cc(F)c4)c32)c(OC)c1 61720533 XWSDPWBSRAFJCX-MRXNPFEDSA-N 428.391 3.945 0 40 IHAB COc1cccc(-n2ccn3c(SCC(=O)Nc4ccc(C(C)C)cc4)nnc3c2=O)c1 64593684 YDTDQUXRVCTXPA-UHFFFAOYSA-N 449.536 3.743 0 40 IHAB CCN1CC[C@@]2(CCC1=O)C[C@H](NC(=O)c1ccc3c(c1)nc(C)n3C)c1ccccc1O2 72327851 AWGDJTGKRPJDBV-LVXARBLLSA-N 446.551 3.907 0 40 IHAB CC(C)c1ncc(CN2CCN(c3c(F)cccc3[C@H](O)c3nccs3)CC2)cn1 72340623 IYOJBXFNZCARSE-FQEVSTJZSA-N 427.549 3.600 0 40 IHAB CNC(=O)[C@@]1(Cc2cccc(-c3cccc(C)c3)c2)CCCN(C(=O)c2cnc(C)cn2)C1 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OHKCXZCWOXQETC-UHFFFAOYSA-N 436.961 3.565 0 40 IHAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN(C)C)c(C)n1-c1cccnc1 223216379 UNLPSWTWODMRET-GOTSBHOMSA-N 434.613 3.808 0 40 IHAB CC(C)(C)c1ccc(OCCNC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)cc1 223650157 NLVYCFBKPLPWOS-UHFFFAOYSA-N 444.597 3.719 0 40 IHAB COc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)NCCCc3ccccc3)c2)cc1 224283750 XLRGZEOYFNTQBX-UHFFFAOYSA-N 438.549 3.883 0 40 IHAB Cc1ccc(OCCNC(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)c(C)c1 224633246 ZKIDNJKKUWZNJV-UHFFFAOYSA-N 438.977 3.698 0 40 IHAB CCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCc1ccc2c(c1)OCCO2 225278893 IKCRKQFOLLDGQL-NRFANRHFSA-N 442.531 3.863 0 40 IHAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)o1 225384840 GLJQUVNHSGEKLK-RBUKOAKNSA-N 428.539 3.532 0 40 IHAB C[C@H](CC(C)(C)c1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 225472150 LYBOPEMOLSWFFD-LJQANCHMSA-N 428.598 3.960 0 40 IHAB COC[C@]1(C(N)=S)[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 252515955 OXOAOMWXKDCWAE-JZXOWHBKSA-N 430.378 3.852 0 40 IHAB O=C(c1ccnc(Cc2ccccc2)c1)N1CCC[C@@H](Cc2cncc(-c3ncc[nH]3)n2)C1 257293987 QRYVKLBJIWKLTQ-FQEVSTJZSA-N 438.535 3.947 0 40 IHAB CC(C)n1nccc1[C@@H]1CN(C(=O)C2CC=CC2)C[C@]12CCCN(Cc1cccnc1)C2=O 306126434 DVVFHRXIDMPMIL-BKMJKUGQSA-N 447.583 3.560 0 40 IHAB CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NC2CCCCC2)CC1 408555169 FBXDVAIMPLVWKI-UHFFFAOYSA-N 428.982 3.588 0 40 IHAB CC(=O)Nc1cccc(NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c1 408627258 YVOJILWOHRHFDZ-UHFFFAOYSA-N 437.521 3.864 0 40 IHAB Cc1ccccc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@@H]3CC[C@H](C)C[C@H]3C2=O)cc1 408667801 SYXOGCVQTCEVHO-CWFSZBLJSA-N 434.492 3.716 0 40 IHAB COc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)NC3CCCCC3)c2)c(OC)c1 408676321 NBRAZSXZNQOVEZ-UHFFFAOYSA-N 448.541 3.576 0 40 IHAB Cc1ccc(CC(=O)N2C[C@H](c3cn(C(C)C)cn3)[C@]3(CCCN(CC4CC4)C3=O)C2)cc1 585107392 UMJXBFUDDSSCHP-KCWPFWIISA-N 448.611 3.960 0 40 IHAB O=C(c1ccccc1Nc1ccccc1)N1CCOC[C@H](Cc2cn3ccnc3cn2)C1 585261823 QOLSDSAJTDZEBF-LJQANCHMSA-N 427.508 3.804 0 40 IHAB O=C([C@@H]1COCCN1)N1CCC(c2cccc(Nc3ncc(-c4ccccc4)s3)n2)CC1 585262891 CLNQFGVJWRCZLX-FQEVSTJZSA-N 449.580 3.643 0 40 IHAB CCOc1ccc(CN2CC(=O)NCCCCCOc3ccc(CCCO)cc3C2)cc1 643580251 SCDKQLDXKKZIOT-UHFFFAOYSA-N 440.584 3.691 0 40 IHAB O=C(N[C@H]1CCC[C@@H]1NC(=O)c1ncccc1C(F)(F)F)c1ncccc1C(F)(F)F 683368949 OFVLEHGYFSVKBF-STQMWFEESA-N 446.351 3.595 0 40 IHAB CC(C)(NC(=O)c1ccc(F)cc1)C(=O)N1CCOC[C@@H](Cc2cccc3ccncc23)C1 1848352781 ASJCWDGKAKXPEM-SFHVURJKSA-N 449.526 3.600 0 40 IHAB COc1ccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)c(OC)c1 656805 LCBMZKRGPVUVAM-UHFFFAOYSA-N 440.521 3.533 0 40 IHAB O=C(O)c1cccc(NS(=O)(=O)c2cc(Br)ccc2Br)c1 1926331 QHTYXIVSGALSCE-UHFFFAOYSA-N 435.093 3.711 0 40 IHAB COc1ccc(CCn2c(N)c(C(=O)NCC(C)C)c3nc4ccccc4nc32)cc1OC 2361061 SNDSANAULXPOEL-UHFFFAOYSA-N 447.539 3.812 0 40 IHAB COC(=O)C(C(=O)OC)[C@@H](c1ccc(OC)c(OC)c1)[C@H](C)C(=O)c1ccc(C)cc1C 2439912 WRXVDLGAJSUFNI-HRAATJIYSA-N 442.508 3.885 0 40 IHAB O=C(Nc1ccccc1F)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 2469131 HQYNHECOUJQKSP-NSHDSACASA-N 447.351 3.689 0 40 IHAB CCCCn1c(=O)c(CCC(=O)OCC(=O)c2ccc(F)c(F)c2)nc2ccccc21 3350084 VLEMWCWIDQUVHS-UHFFFAOYSA-N 428.435 3.834 0 40 IHAB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Oc2ccc(C(C)=O)cc2)cc1 3452691 LARHVLPWJUDGMS-UHFFFAOYSA-N 439.489 3.942 0 40 IHAB CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3CCCCC3)cc2c1 6196887 WNZPDHCPDPHAHJ-QHCPKHFHSA-N 444.539 3.537 0 40 IHAB CC1CCN(CCc2nc3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3n2C)CC1 6467797 UGRJTJGRCAXPEK-UHFFFAOYSA-N 430.549 3.788 0 40 IHAB Cc1ccc(NC(=O)[C@@H]2CCCO2)cc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1 8708455 DAKGONIKNXCLMP-INIZCTEOSA-N 428.432 3.932 0 40 IHAB C[C@@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)Nc1ccc(OC(F)(F)F)cc1 8824805 VVSHDHYGONDAOJ-LLVKDONJSA-N 444.793 3.539 0 40 IHAB O=C(Nc1nc2ccccc2[nH]1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 8893042 ASONYOZKSDIUQE-UHFFFAOYSA-N 434.521 3.756 0 40 IHAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)N1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O 9478433 QOCBXDQDYBSXRK-ZLOXQWCVSA-N 441.915 3.632 0 40 IHAB COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)Nc1ccc(OC)c(OC)c1 9646440 SZDZVBAUQZAELV-UHFFFAOYSA-N 425.459 3.645 0 40 IHAB CCOC(=O)c1ccc(Nc2nc(Nc3ccc(C)c(C)c3)nc(N3CCOCC3)n2)cc1 9708819 WHDBCCAPMLICAL-UHFFFAOYSA-N 448.527 3.989 0 40 IHAB CCN(CC)CCCn1c2c(c(SCC(=O)Nc3ccccc3Cl)nc1=O)CCC2 9746334 OTFOKAZFEYSXNT-UHFFFAOYSA-N 449.020 3.848 0 40 IHAB COc1cc2c(cc1OC)CN(C(=O)CNC(=O)c1sc3ccccc3c1Cl)CC2 9819477 NQENEWWRICQAGO-UHFFFAOYSA-N 444.940 3.887 0 40 IHAB COC(=O)[C@H](CC(C)C)NC(=O)CCC(=O)Nc1ccc(OCCc2ccccc2)cc1 9969962 QIVVNSKGGLGLJO-QFIPXVFZSA-N 440.540 3.731 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 9991042 YDRYUWGNZCPZRE-UHFFFAOYSA-N 445.519 3.995 0 40 IHAB CCOC(=O)Cc1csc(NC(=O)CSc2cc(-c3ccccc3)nc(C)n2)n1 12016851 RLFUUDHDPRPMEY-UHFFFAOYSA-N 428.539 3.745 0 40 IHAB CC(C)c1nn(CC(=O)N2CCCc3ccccc32)c(=O)c2c1cnn2-c1ccc(F)cc1 12228958 MSGOAXVPCYMYSM-UHFFFAOYSA-N 445.498 3.824 0 40 IHAB O=S(=O)(c1cccc2nsnc12)N1CCc2[nH]c3c(Br)cccc3c2C1 12388963 YVFHTXTYNJMNRO-UHFFFAOYSA-N 449.355 3.682 0 40 IHAB C[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc2c(c1)OCCO2 12552038 RKPXEYXNZYNUQF-MRXNPFEDSA-N 438.505 3.750 0 40 IHAB COc1ccc(C)cc1NC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 12630427 BOYSLZBRFNCAPA-UHFFFAOYSA-N 440.477 3.785 0 40 IHAB CC(C)(C)NC(=O)[C@@H](c1cccs1)N(CCc1ccccc1)C(=O)c1csnn1 12638603 HZQNOEDTDMAZDV-GOSISDBHSA-N 428.583 3.941 0 40 IHAB CCc1ccc(-c2noc(CCC(=O)N[C@H](c3cccc(OC)c3)c3nccn3C)n2)cc1 12737019 IOWFJJFGMYCROJ-HSZRJFAPSA-N 445.523 3.880 0 40 IHAB C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3cc(F)c(F)cc3Cl)cc2)C[C@H](C)O1 12762967 LKAXRLXMUFQNAO-RYUDHWBXSA-N 444.887 3.668 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](c3ccccc3)c3ccncc3)CC2)cc1 12822211 YQYXOVMTXAEEIC-DEOSSOPVSA-N 449.576 3.697 0 40 IHAB CCn1nc(C(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)c2ccccc2c1=O 13000785 VXNLAUKMOXVMAP-UHFFFAOYSA-N 449.898 3.925 0 40 IHAB O=C(COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)Nc1ccc2c(c1)CCC2 13100792 MIRHROZQGRPULI-UHFFFAOYSA-N 440.455 3.771 0 40 IHAB O=C(CCCn1c(=O)oc2ccccc21)N1CCN(Cc2cccc3ccccc23)CC1 13127895 JBYQMPWEEMKNGB-UHFFFAOYSA-N 429.520 3.872 0 40 IHAB C[C@H](NC(=O)CN1C(=O)N[C@]2(CCCc3sccc32)C1=O)c1ccc2ccccc2c1 14018081 JTOXVVPJEBLRKF-OWJWWREXSA-N 433.533 3.862 0 40 IHAB COc1cc(C(C)=O)ccc1OC[C@H](O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2 14202100 GOBNOUVKZBLXIK-NHCUHLMSSA-N 441.524 3.636 0 40 IHAB COc1ccc(CN(C)CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1OC 15449067 ZCHZJSQNARFHRH-UHFFFAOYSA-N 447.535 3.704 0 40 IHAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)NNC(=O)CNc1nc2ccccc2s1 15520145 AHNJHEIFBNVCKQ-UHFFFAOYSA-N 441.513 3.740 0 40 IHAB COc1ccc(Cn2nnnc2S[C@@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)cc1 16369519 VOPHDXLGOLNWIA-ZDUSSCGKSA-N 447.948 3.820 0 40 IHAB C[C@H](Oc1ccc(C(C)(C)c2ccccc2)cc1)C(=O)N1CCN(c2ncccn2)CC1 17097061 KRVBROQAGHQSQY-FQEVSTJZSA-N 430.552 3.919 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)N2CCn3c2nc2ccccc23)c1 18921939 CBZMEYFVQZKEDE-UHFFFAOYSA-N 443.598 3.592 0 40 IHAB O=C(c1ccccc1F)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(CC1CCCCC1)CC2 19347547 LEFSQZZDIARJCO-JOCHJYFZSA-N 438.547 3.825 0 40 IHAB CCNC(=O)[C@@]1(Cc2cccc(-c3ccc(C)cc3)c2)CCN(C(=O)c2cnccn2)C1 19529100 XOFBTLARPQRFQK-AREMUKBSSA-N 428.536 3.663 0 40 IHAB CSc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2C)cc1 20021758 JYQILWOZEJDIOC-MRXNPFEDSA-N 436.599 3.660 0 40 IHAB CCc1ccccc1NC(=O)C1=C(C)c2cc(OC)c(OC)cc2N(CC)S1(=O)=O 20064032 QCZNTNARFVALIK-UHFFFAOYSA-N 430.526 3.806 0 40 IHAB CC(C)(C)c1ccc(N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)S(C)(=O)=O)cc1 20111737 JOPKBWJGRZXKLM-UHFFFAOYSA-N 443.569 3.516 0 40 IHAB COc1ccc(Br)cc1C(=O)CCC(=O)OCc1nc(N)c2ccccc2n1 21838277 SCPFCNPDHZSNSM-UHFFFAOYSA-N 444.285 3.689 0 40 IHAB Cc1ccc(CNC(=O)CN2CCN(Cc3nc(-c4cccs4)cs3)CC2)cc1 22631179 NCJAVHDASWYODC-UHFFFAOYSA-N 426.611 3.614 0 40 IHAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@@H](C)NC[C@@H]1CCCN1CC 22919264 RELJNUHHANEZHV-AEFFLSMTSA-N 429.586 3.993 0 40 IHAB Fc1ccccc1[C@H](c1nnnn1Cc1cccs1)N1CCN(Cc2ccccc2)CC1 22929813 ZJOWSOKZVOPDRS-HSZRJFAPSA-N 448.571 3.829 0 40 IHAB CCOC(=O)c1sc(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)cc1C 23038999 FBELKZRGMLVDOS-UHFFFAOYSA-N 430.507 3.534 0 40 IHAB Cc1cc(C)n(CCCNC(=O)[C@@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)n1 23246031 WJBZNDULNUBKHK-SFHVURJKSA-N 425.360 3.768 0 40 IHAB COc1cc(CN(C)C(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)ccc1OCc1ccccc1 25622503 NANJEQQGVBRPBT-YADARESESA-N 440.565 3.687 0 40 IHAB NS(=O)(=O)c1ccc(CCNC(=O)c2ccccc2-c2nc3ccccc3s2)cc1 26457065 IQOHXVOKSMBQPU-UHFFFAOYSA-N 437.546 3.583 0 40 IHAB CC(C)c1ccc(-n2cnnc2SCC(=O)N2CCN(C)C[C@@H]2c2ccccc2)cc1 26938007 OGACQQIWISJERA-JOCHJYFZSA-N 435.597 3.998 0 40 IHAB Cn1ccnc1SCC(=O)Nc1ccc(C(=O)Nc2nc3c(s2)CCCC3)cc1 30675078 ARLLCQMKNWSNKD-UHFFFAOYSA-N 427.555 3.739 0 40 IHAB O=C(NCCSCc1ccco1)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 31253490 JYVXKKOWEFXJJN-UHFFFAOYSA-N 434.514 3.883 0 40 IHAB CC(C)Cc1csc2c1c1nc(-c3ccccc3)nn1c(=O)n2CC(=O)N1CCCC1 32101122 QSEKJSNTPRODRH-UHFFFAOYSA-N 435.553 3.594 0 40 IHAB CC(C)C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(Cl)cc3)cc2)CC1 32125276 XRMADNRZBXIPGQ-UHFFFAOYSA-N 444.988 3.771 0 40 IHAB C[C@H]1CCCC[C@H]1N1C(=O)C(=O)N(CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1=O 32721626 DVLCBSMYNLUBGD-OXJNMPFZSA-N 435.480 3.787 0 40 IHAB COc1ccc(NC(=O)c2ccccc2NC(=O)[C@H]2Cc3ccccc3C(=O)O2)c(OC)c1 32854630 WFBLEYHVQVGLIB-JOCHJYFZSA-N 446.459 3.676 0 40 IHAB COc1ccc(-c2nn3c(=O)cc(CNC(=O)Nc4cc(C)cc(C)c4)nc3s2)cc1 32996085 QKZKYXKSUDESII-UHFFFAOYSA-N 435.509 3.765 0 40 IHAB Cc1ccc2cc(CN(C[C@@H]3CCCO3)C(=O)Nc3ccc(F)cc3)c3nnnn3c2c1 35290972 KUCXZIOROMNIRH-FQEVSTJZSA-N 434.475 3.938 0 40 IHAB O=C(Cc1csc(NC(=O)c2ccc3c(c2)OCO3)n1)Nc1nc2c(s1)CCCC2 38549193 KUEZMUSAWVWFGN-UHFFFAOYSA-N 442.522 3.641 0 40 IHAB O=C(c1cc(S(=O)(=O)Nc2ccccc2N2CCc3ccccc32)c[nH]1)N1CCCC1 40074748 OLVMBIBGKUEMLA-UHFFFAOYSA-N 436.537 3.746 0 40 IHAB O=C(NCc1cccnc1N1CCOCC1)Nc1cccc(OCc2cccc(F)c2)c1 48234426 KITGFKHOSUDZOH-UHFFFAOYSA-N 436.487 3.958 0 40 IHAB CC1CCN(C(=O)CSc2nc3ccsc3c(=O)n2Cc2ccccc2F)CC1 57426094 JGVPKUKKLZFBFT-UHFFFAOYSA-N 431.558 3.996 0 40 IHAB CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1sccc1-n1cnnn1 58132129 IODHDICJFILNQK-UHFFFAOYSA-N 439.520 3.738 0 40 IHAB O=C(CN1CCCC[C@@H]1c1nc2ccccc2s1)NC(=O)Nc1ccc2c(c1)OCO2 58160651 RHTXPCSPLYVWRV-MRXNPFEDSA-N 438.509 3.900 0 40 IHAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)Nc3cccnc3)Oc3ccc(Cl)cc32)cc1 64986164 CZFHPVOLUMNUIV-HXUWFJFHSA-N 443.912 3.638 0 40 IHAB COCCCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3cccc(F)c3)c2c1=O 65113546 IHTYFFHEVGCKID-UHFFFAOYSA-N 434.471 3.679 0 40 IHAB O=C(CN1C(=O)COc2cc(Br)ccc21)Nc1cc(F)cc(N2CCCC2)c1 65552628 JUJKYFIMRCTFCC-UHFFFAOYSA-N 448.292 3.553 0 40 IHAB CCn1c(=O)n(CCC(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)c2ccccc21 70036594 ZPHMMUUMHFCNOT-UHFFFAOYSA-N 440.975 3.601 0 40 IHAB COc1ccc2c(c1)N[C@]1(COC3(CCN(C(=O)c4cccnc4C)CC3)C1)c1cccn1-2 72327303 MBWJOBRGYPQGAM-AREMUKBSSA-N 444.535 3.905 0 40 IHAB Cc1ccn2cc(C(=O)N3CCNC(=O)[C@@H]3Cc3cccc(-c4cccc(F)c4)c3)nc2c1 72351417 LNFVALVDWLOMNH-QHCPKHFHSA-N 442.494 3.632 0 40 IHAB CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CN(C(=O)c2cn(C)c3ccccc23)CCO1 72383130 JIBGVOSLFURYKT-IBGZPJMESA-N 448.548 3.704 0 40 IHAB Cc1c(-c2ccc(Cl)cc2)nn2c1NC(=O)[C@@H]2CC(=O)Nc1ccc2c(c1)OCCO2 90594499 UMJDINYWCPPWLV-INIZCTEOSA-N 438.871 3.805 0 40 IHAB Cc1nc(-c2ccc(S(=O)(=O)N3CCC[C@@H](c4nncn4C4CC4)C3)s2)cs1 95461612 BKTIUSFHZRDWMA-CYBMUJFWSA-N 435.600 3.675 0 40 IHAB COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2ccccn2)[C@H](c2ccc(F)cc2)CN1C 95482632 BSHKNDBQZWNVTK-QRJOEMBSSA-N 431.467 3.605 0 40 IHAB O=C(CSc1nc2ccccc2s1)N1CCC(S(=O)(=O)c2ccccc2)CC1 96099411 JPGATNCODLTOMX-UHFFFAOYSA-N 432.592 3.853 0 40 IHAB CS(=O)(=O)C(Br)(Br)[C@H](O)c1ccc(Cl)cc1Cl 96520842 PGEUFJSHWZRREN-MRVPVSSYSA-N 426.941 3.515 0 40 IHAB CCOc1cc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)ccc1O 101112610 UIBYGIRRCNPPCR-VABKMULXSA-N 430.460 3.842 0 40 IHAB CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccncc4)[C@H]3C2=O)cc1 101123766 ZZEGYUHGFNNAND-ZLNRFVROSA-N 429.476 3.922 0 40 IHAB COc1ccc(NC(=O)c2ccc(N3C(=O)[C@H]4[C@@H]5C[C@H](C=C5C)[C@H]4C3=O)cc2)c(OC)c1 102641750 CEDSGCWLYGCYIV-OZPQRRJYSA-N 432.476 3.658 0 40 IHAB CCN1CCC[C@@H]1CN1CC(O)=C(c2nc(-c3ccc(OC)c(OC)c3)cs2)C1=N 102722064 YGIADBNFBPDFDB-OAHLLOKOSA-N 428.558 3.874 0 40 IHAB Cc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)C)cc1S(=O)(=O)N1CCCCC1 105635026 RJQFUKBNSSBQCT-UHFFFAOYSA-N 443.569 3.560 0 40 IHAB COC(=O)CN1C(=O)N/C(=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)C1=O 108169985 PRWVCWDHESXABF-CXUHLZMHSA-N 435.263 3.638 0 40 IHAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1cc(S(=O)(=O)NC(C)C)ccc1OC 216301675 OYXZESLWFJESKI-IBGZPJMESA-N 434.558 3.795 0 40 IHAB CCOc1ccccc1CNC(=O)[C@H](C)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 220202459 YELXRMGFRUIGRA-AWEZNQCLSA-N 444.475 3.575 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCCc1ccccc1)c1ccc(Cl)c(Cl)c1 222378971 XURKBVGBCBOLBH-UHFFFAOYSA-N 429.369 3.899 0 40 IHAB CC[C@H](C(=O)Nc1ccc(F)c(F)c1)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 222495416 NDGFXRVRCJTENK-OAHLLOKOSA-N 432.876 3.810 0 40 IHAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(F)cc1 222555527 ZAGRCCVICBZGTF-JTSKRJEESA-N 430.520 3.935 0 40 IHAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1cccc(N2CCCCS2(=O)=O)c1 222562397 GNRCABKAFKRURH-HXUWFJFHSA-N 444.553 3.657 0 40 IHAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@H](C)COc2ccccc2C)cc1 223581722 KRJOQIXFAGMXMP-OSVNEOKWSA-N 434.492 3.951 0 40 IHAB CN(CC(=O)NCCOc1ccc2ccccc2c1)S(=O)(=O)c1ccc2ccccc2c1 223628487 KHUMPHPCEBRCFI-UHFFFAOYSA-N 448.544 3.809 0 40 IHAB CCc1ccc(N([C@@H](C)C(=O)NCCOc2ccccc2C(C)(C)C)S(C)(=O)=O)cc1 223723384 HBCHKQQRZDFROB-SFHVURJKSA-N 446.613 3.896 0 40 IHAB COc1ccc(S(=O)(=O)NC[C@@H](C)c2ccccc2)cc1C(=O)N1CCCCCC1 224036467 NVUYXKPJQIKOKG-GOSISDBHSA-N 430.570 3.793 0 40 IHAB Cc1cc(Nc2nc(C)cs2)cc([C@@H]2CN(C(=O)c3n[nH]c4c3CCCC4)CCO2)n1 257279561 OHFRMUAASKQPEO-IBGZPJMESA-N 438.557 3.714 0 40 IHAB CCN(CC)C(=O)Cc1c(C)nc([C@@H]2CCCN(C(=O)Cc3cccc(C)c3)C2)nc1C 257282776 OVFWHMWRWQIVMV-JOCHJYFZSA-N 436.600 3.761 0 40 IHAB CC1CCN(c2cc(N3CCCC[C@H]3C)nc(NC(=S)NC[C@@H]3CCCO3)n2)CC1 260710299 GOOLMJVGLRPQTK-MSOLQXFVSA-N 432.638 3.557 0 40 IHAB COc1cccc(-n2nccc2-c2nc(C(=O)NCc3ccc(C)cc3)c3cnccn23)c1 306131836 KQQVOISGBBOJME-UHFFFAOYSA-N 438.491 3.829 0 40 IHAB Cc1ccc(C)c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC=C[C@@H](C)[C@H]4C3=O)cc2)c1 408669356 WFCJDOVVKOOVHZ-HCLVMJGWSA-N 446.503 3.801 0 40 IHAB COc1ccc(/C=c2/sc3nc4c(Br)c(C)c(C)cc4n3c2=O)cc1OC 408976891 GZFQXUSZUWBEIC-CXUHLZMHSA-N 445.338 3.853 0 40 IHAB Cc1ccc([C@H]2[C@H](NC(=O)c3ccc(Cl)cc3)C(=O)N/[N+]2=C\c2ccccc2C)cc1 409059981 TZTVWZGUORCLKY-WAUWHALJSA-O 432.931 3.973 0 40 IHAB CCOc1ccc2ccccc2c1/C=C1\SC(=O)N(CC(=O)NC[C@H]2CCCO2)C1=O 409216006 HESVERQXNLXZQE-SDLDRHLBSA-N 440.521 3.570 0 40 IHAB Cc1cc(C)cc(N([C@H](C)C(=O)Nc2ccccc2Br)S(C)(=O)=O)c1 409383872 MUFXGKKOADJFRK-CQSZACIVSA-N 425.348 3.859 0 40 IHAB Cn1ncc(C(=O)N[C@H]2COc3cc(F)c(Br)cc32)c1Cc1ccccc1 501687005 HBEQUTJUEFCCET-KRWDZBQOSA-N 430.277 3.776 0 40 IHAB CCC[C@@]1(COC)CCCN1C(=O)c1cccc(C(=O)N2CCC[C@]2(CCC)COC)n1 562505498 OPYPGCHYYJCESH-PLQXJYEYSA-N 445.604 3.924 0 40 IHAB O=C(Nc1ccc(C(F)(F)F)c(Cl)c1)c1c2c(nn1[C@H]1CCS(=O)(=O)C1)CCC2 585188668 BZWWTJXBSROIKK-NSHDSACASA-N 447.866 3.656 0 40 IHAB CC(=O)N1CCCN(CC(C)C)CCN(C(=O)c2cc(C3CC3)[nH]n2)Cc2ccccc21 2037916002 GGYBDXBSLPJGEQ-UHFFFAOYSA-N 437.588 3.644 0 40 IHAB CCN1CCC[C@H]1CN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=O)Nc1ccccc1 1342309 XOXXUBSUXBBLRM-FQEVSTJZSA-N 448.523 3.775 0 40 IHAB COC(=O)CSC1=Nc2cc(OC)c(OC)cc2C2=NC(=O)[C@H](CC3CCCCC3)N12 1394602 YPSKXEVZMGXNID-INIZCTEOSA-N 445.541 3.539 0 40 IHAB CC[C@]1(C)Cc2c(sc3nc(SCC(=O)O)n(-c4ccc(OC)cc4)c(=O)c23)CO1 2298726 PRJMNXSABLIGST-OAQYLSRUSA-N 446.550 3.874 0 40 IHAB CC(C)OCCCNC(=O)c1c(N)n(CCc2ccccc2)c2nc3ccccc3nc12 2411065 OQMHRJQJLSNQTB-UHFFFAOYSA-N 431.540 3.954 0 40 IHAB COC(=O)[C@](NC(=O)c1ccccc1)(C(F)(F)F)P(=O)(OC(C)C)OC(C)C 3103574 FMTJWIZKQPAEBC-MRXNPFEDSA-N 425.340 3.891 0 40 IHAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)Cc2csc(-c3ccccc3)n2)c1C 3459006 QGBIEKKGTOVWNE-UHFFFAOYSA-N 426.494 3.900 0 40 IHAB CCc1ccc2[nH]c(=O)c(CN(CCCN(CC)CC)C(=S)NCCCOC)cc2c1 6197690 JMNFZECIUDZRHJ-UHFFFAOYSA-N 446.661 3.535 0 40 IHAB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3nc(CCCO)nn32)cc1 8437221 UBDCFVNCTRZTLX-HSZRJFAPSA-N 447.539 3.838 0 40 IHAB COc1cccc(-c2csc(N3C[C@H](C(=O)OCC(=O)c4ccccc4)CC3=O)n2)c1 8715725 VJPBGAZNGNXEGL-QGZVFWFLSA-N 436.489 3.598 0 40 IHAB C[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)c1ccc(NS(C)(=O)=O)cc1 8862110 JSZUAAUTCAYCIA-CQSZACIVSA-N 442.566 3.880 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@H](C(C)C)N[C@]23C(=O)Nc2ccc(C)cc23)cc1 8876785 NDMVMKJLUDOUKP-ZJCBTPCYSA-N 435.524 3.592 0 40 IHAB biogenic CC1(C)Cc2c(c(-c3ccco3)nc3sc4c(SCC(N)=O)ncnc4c23)CO1 9158053 XZKBCESNWHAVDM-UHFFFAOYSA-N 426.523 3.928 0 40 IHAB CCN(CC)CCCNC(=O)CCN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc12 9190745 LDTCAPXIZZLRIA-VWLOTQADSA-N 432.568 3.951 0 40 IHAB Cc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)c2)cc1C 9201475 HJDBUJZAZMPQSI-WKZKVMAPSA-N 429.472 3.655 0 40 IHAB COC(=O)c1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2cccnc2)cc1 9309814 GHZOAFONKFOFFA-OAQYLSRUSA-N 426.428 3.720 0 40 IHAB COc1ccc(C(=O)Nc2nnc(SCC(=O)Nc3cccc(C)c3)s2)cc1OC 9364361 SRCVGJCPWQXRID-UHFFFAOYSA-N 444.538 3.847 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2)cc1 9517618 DTXWDAHZLFHISL-UHFFFAOYSA-N 433.493 3.723 0 40 IHAB O=C(Cn1c(CS(=O)(=O)c2ccccc2)nc2ccccc21)NCCCc1ccccc1 9520380 HTXNRZUKDBIHQF-UHFFFAOYSA-N 447.560 3.759 0 40 IHAB CCCCN1C(SCC(=O)Nc2ccc(OC)cc2)=NS(=O)(=O)c2ccccc21 9530320 PVVPIWNLWHSGOX-UHFFFAOYSA-N 433.555 3.732 0 40 IHAB COc1ccccc1CCNC(=O)COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 9576343 KBHVGLSKNUICFS-UHFFFAOYSA-N 445.471 3.912 0 40 IHAB biogenic O=S(=O)(NC[C@@H](c1ccco1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 9740705 UQQNMSRLMSJVRW-SFHVURJKSA-N 443.905 3.566 0 40 IHAB COC(=O)c1ccc(NC(=O)CSc2nnc3ccc(-c4ccc(C)cc4)nn23)cc1 9829100 FWCYAFKGATZACW-UHFFFAOYSA-N 433.493 3.617 0 40 IHAB CCn1c(CC(=O)Nc2ccccc2C)nnc1SCC(=O)Nc1cc(F)ccc1F 10141197 VKYTWDMUUCUUBV-UHFFFAOYSA-N 445.495 3.797 0 40 IHAB Cc1ccc(-n2ncc3c(=O)n(NC(=O)C(c4ccccc4)c4ccccc4)cnc32)cc1 11665733 OBILXFKECWQKGA-UHFFFAOYSA-N 435.487 3.793 0 40 IHAB COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3cc(F)ccc3F)n2)cc1OC 11693369 VPHQXIRXJSUXMD-UHFFFAOYSA-N 429.423 3.625 0 40 IHAB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc(F)cc2)n2nc(CCCO)nc2N1 11859611 VIFSOODVXVVBGM-HXUWFJFHSA-N 441.894 3.923 0 40 IHAB Cc1ccc(-n2nnnc2C(=Cc2ccc(O)cc2)c2nnnn2-c2ccc(C)cc2)cc1 12080324 GDIWQRFCNNVYIL-UHFFFAOYSA-N 436.479 3.549 0 40 IHAB COc1ccc(CN2CCN(c3ccccc3[C@H](O)c3nccs3)CC2)cc1OC 12143968 NADZNFNBVKKJDM-QFIPXVFZSA-N 425.554 3.564 0 40 IHAB CCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3c(C)c(C)cc(C)c3C)ccc21 12180485 WQCXMISDUIYFQH-UHFFFAOYSA-N 436.599 3.823 0 40 IHAB Cc1ccc(NC(=O)CN2CCCN(Cc3ccc(Cl)cc3)S2(=O)=O)cc1Cl 12415409 FRVFDJQCNABANN-UHFFFAOYSA-N 442.368 3.693 0 40 IHAB COc1ccc(OC)c([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2C(F)(F)F)c1 12541236 PFMKCNSAXKAJHX-SFHVURJKSA-N 435.402 3.989 0 40 IHAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc4c(c3)Cc3ccccc3-4)C2=O)cc1 12907867 TZUZTPUAXZSBKG-SANMLTNESA-N 441.487 3.672 0 40 IHAB O=S(=O)(Nc1cccc(Cl)c1)c1cccc(NC(=S)NC[C@@H]2CCCO2)c1 13069777 WRQCNQBBCNXJBK-INIZCTEOSA-N 425.963 3.606 0 40 IHAB CS(=O)(=O)c1ccccc1C(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2 13074925 SWCZQADFZFZFTR-UHFFFAOYSA-N 429.519 3.770 0 40 IHAB CN(C)S(=O)(=O)c1ccc(Br)c(C(=O)OCc2ccccc2Cl)c1 13105707 OOBSUXLEUOPJAT-UHFFFAOYSA-N 432.723 3.710 0 40 IHAB O=C(NCc1cccnc1)c1ccc2nc(NS(=O)(=O)c3ccc(F)cc3)sc2c1 13692652 HQVWCZQEPIABPI-UHFFFAOYSA-N 442.497 3.561 0 40 IHAB CC[C@@H](C)NC(=O)CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(C)cc1 13940221 IYRMANQCWMEWRO-OAHLLOKOSA-N 426.941 3.893 0 40 IHAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)c1ccc(CN2CCCCC2)cc1 14188115 XRMVZGDEMUMNQV-SFHVURJKSA-N 435.524 3.593 0 40 IHAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc(Oc3ccccc3)c2)cc1 14240763 JADQNMIXZLUPPZ-MRXNPFEDSA-N 426.494 3.793 0 40 IHAB CCS(=O)(=O)N(CC(=O)Nc1ccc(Cl)cc1Cl)c1ccc2c(c1)OCO2 14396561 JPJMSSTYEIVPPT-UHFFFAOYSA-N 431.297 3.517 0 40 IHAB Cc1cc(C)nc(Sc2ccc(NC(=O)CN(C)S(=O)(=O)c3cccs3)cc2)n1 14710546 XMLPBXTVAOKFHK-UHFFFAOYSA-N 448.595 3.565 0 40 IHAB CC[C@@H](C)[C@@H](NC(=O)Cc1c(C)c2cc3c4c(oc3cc2oc1=O)CCCC4)C(=O)O 15953446 PNBQAVJEMKILAJ-VERVWZFWSA-N 425.481 3.884 0 40 IHAB biogenic Cc1ccc(CN2C[C@@H](C(=O)NC(C)C)[C@H](c3ccnc(N4CCCCC4)n3)C2)s1 19217263 MRHJMOGDBZKEML-WOJBJXKFSA-N 427.618 3.577 0 40 IHAB CCCN1CCN(Cc2nccn2CC)C[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O 19502851 HJJDJLOMTPYWJU-XMMPIXPASA-N 431.584 3.878 0 40 IHAB C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCN(C(=O)c4cc(C(C)(C)C)nn4C)C3)cc2N1 19574940 OOTGKPIMOPIXPZ-PBFPGSCMSA-N 438.498 3.851 0 40 IHAB CN(C)C(=O)[C@@]1(Cc2ccc(-c3ccccc3F)cc2)CCCN(C(=O)[C@H]2CCCO2)C1 19578938 YWHJOFSKRPHXFW-ZEQKJWHPSA-N 438.543 3.911 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cc(C(F)(F)F)c3c(N)n[nH]c3n2)cc1F 19742513 CLDGPTCADQTQER-AWEZNQCLSA-N 443.426 3.532 0 40 IHAB CCOC(=O)[C@@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@@H]1c1cccc(Cl)c1 19818390 KGJQSAWEWGQEJS-VQTJNVASSA-N 441.915 3.842 0 40 IHAB COc1ccc2[nH]cc(CCN3C[C@@H](C(=O)Nc4ccc(F)c(Cl)c4)CC3=O)c2c1 20585126 MBLGIFRHEOKTGL-AWEZNQCLSA-N 429.879 3.999 0 40 IHAB CCc1nn2c(=O)cc(COC(=O)c3ccccc3C(=O)c3ccc(C)cc3)nc2s1 20961077 QZXRWUSEAPWSFA-UHFFFAOYSA-N 433.489 3.610 0 40 IHAB CCN1CCN([C@H](c2ccc(C(=O)OC)cc2)c2c(NC(C)=O)sc(C)c2C)CC1 21670002 WJTKHOYLVOJQGA-OAQYLSRUSA-N 429.586 3.837 0 40 IHAB CCOc1cc(CNc2nnnn2C)cc(Br)c1OCc1ccc(F)cc1 22112115 SRYVLIGWBWGWEV-UHFFFAOYSA-N 436.285 3.702 0 40 IHAB Cc1ccc(OCCNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 22315134 HHIYNHUOIAIHBG-UHFFFAOYSA-N 438.549 3.694 0 40 IHAB COC(=O)c1ccc(NC(=O)[C@@H](C)N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c(C)c1 22765803 LOLKWAGGPYVRSA-SNVBAGLBSA-N 435.263 3.712 0 40 IHAB CCNC(=O)[C@@H](C)OC(=O)c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1 23553123 QNSOCRMJQYWDGC-LLVKDONJSA-N 438.431 3.696 0 40 IHAB CC(C)n1ncc2c(C(=O)NCc3ccccc3CN3CCOCC3)cc(C3CC3)nc21 23989912 JWYXCFRNIASKHZ-UHFFFAOYSA-N 433.556 3.652 0 40 IHAB CC(C)(C)OC(=O)Nc1ccc(C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)cc1 24631750 YKLSWQGCHUQNCF-NRFANRHFSA-N 425.529 3.664 0 40 IHAB COCCCn1c(-c2ccc(S(=O)(=O)N(C)C)cc2)cs/c1=N\c1ccccc1 26688756 HUAHXGOGUATCHA-DQRAZIAOSA-N 431.583 3.736 0 40 IHAB CC(C)Cc1ccc([C@H](C)NC(=O)Cn2c(CS(C)(=O)=O)nc3ccccc32)cc1 27090898 XLSRRNIORKCNDU-KRWDZBQOSA-N 427.570 3.657 0 40 IHAB CCOc1cc(C(=O)NC[C@@H](c2ccccc2)N2CCOCC2)cc(OCC)c1OCC 29084736 VIVJBAKJHXPJQZ-NRFANRHFSA-N 442.556 3.686 0 40 IHAB COc1ccc(OC)c(N2C[C@H](C(=O)O[C@H](C)C(=O)c3ccc(Cl)cc3)CC2=O)c1 31065997 HTFGDQIUKIXUTM-UKRRQHHQSA-N 431.872 3.525 0 40 IHAB Cc1cccc2c(=O)n(CC(=O)NCc3ccccc3-c3ccc(CN(C)C)cc3)cnc12 31078616 YSJAAFGLAXOPGG-UHFFFAOYSA-N 440.547 3.750 0 40 IHAB COc1ccc([C@H]2c3sc(=O)[nH]c3S[C@H](C(=O)O)[C@@H]2C(=O)c2ccc(F)cc2)cc1 32597757 LZNDVARHFAXPRW-VKJFTORMSA-N 445.493 3.774 0 40 IHAB CCc1ccc([C@H](CNC(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)N(C)C)cc1 32734050 GJAROOXLKXSQPM-GMAHTHKFSA-N 425.548 3.659 0 40 IHAB Cc1ccccc1-c1nnc(SCCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)o1 32870960 HOBXKKGVGHNENX-UHFFFAOYSA-N 440.481 3.647 0 40 IHAB CCOc1ccc(NC(C)=O)cc1S(=O)(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1 32903073 RFMYYRRXWFPYME-SFHVURJKSA-N 448.541 3.587 0 40 IHAB COc1ccc(OC)c(CN2CCN(C(=O)c3oc4c(c3C)C(=O)CC(C)(C)C4)CC2)c1 36394740 FMMNPIIBTCWPOH-UHFFFAOYSA-N 440.540 3.718 0 40 IHAB COc1ccc(CCn2ccc3nc4nc(C)nn4c(-c4ccccc4OC)c3c2=O)cc1 40398448 GNZDYPJQUDHBOD-UHFFFAOYSA-N 441.491 3.675 0 40 IHAB COc1ccccc1C(=O)NC1CCN(C(=O)c2cc(-c3cccc(Cl)c3)n[nH]2)CC1 49406808 ZOKQXJLVHRDDPU-UHFFFAOYSA-N 438.915 3.773 0 40 IHAB CCc1cc(=O)n(CC(=O)Nc2ccc(OC)cc2OC)c(-c2cccc(Cl)c2)n1 57527458 RJWNTGOLGMRPIW-UHFFFAOYSA-N 427.888 3.782 0 40 IHAB CCc1ccccc1NC(=O)CN1CCN(C(=O)c2ccc(N(CC)C(C)C)cc2)CC1 58050792 RYTXXMTZOLMDKW-UHFFFAOYSA-N 436.600 3.880 0 40 IHAB CCc1ccccc1NC(=O)CSc1nnc(-c2cccc(C)c2NC(C)=O)c(O)n1 64774868 SABHUFOFEUWVRU-UHFFFAOYSA-N 437.525 3.804 0 40 IHAB COc1cc(-c2noc(Cc3nnc(-c4ccc(C)c(F)c4)o3)n2)cc(OC)c1OC 65185532 YXTCFISQTSSLMQ-UHFFFAOYSA-N 426.404 3.851 0 40 IHAB CSc1ccccc1NC(=O)C(=O)NCC1CCN(c2nc3ccccc3s2)CC1 70900177 QIRADRIRTMNDLC-UHFFFAOYSA-N 440.594 3.990 0 40 IHAB O=C(c1cn[nH]c1-c1cccc(Br)c1)N1CCN(c2ccccc2F)CC1 72328693 QBQZITRMKLMUNK-UHFFFAOYSA-N 429.293 3.941 0 40 IHAB O=C(CN1N=C(c2ccc(F)cc2)Cn2c(cc3ccccc32)C1=O)NCc1ccco1 72334570 PQGBFKAZOUVQGF-UHFFFAOYSA-N 430.439 3.550 0 40 IHAB Cc1c(C)n(C2CCCCC2)c2ncnc(OC3CCN(CC(=O)NCC4CC4)CC3)c12 72336003 KYJBNLGBVWXFSR-UHFFFAOYSA-N 439.604 3.923 0 40 IHAB COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2nc3c(s2)CCC3)C12CCCC2 72405657 DHRJSAIXFZICFJ-IBGZPJMESA-N 425.554 3.769 0 40 IHAB COc1ccc(C(=O)NC2CCN(c3ccc(-c4ccccc4OC)nn3)CC2)cc1F 77100673 RRHHWCQGVVWCCI-UHFFFAOYSA-N 436.487 3.699 0 40 IHAB CC(=O)OCCCc1cccc(NC(=O)CCNC(=O)c2ccc(Br)cc2)c1 96012057 WZDGOVDFMMQFDE-UHFFFAOYSA-N 447.329 3.703 0 40 IHAB Cn1c(CNC(=O)[C@H]2C[C@@H]3CC[C@]2(C)C[C@]32NC(=O)c3ccccc3N2)nc2ccccc21 100116172 PBQGJTUALVLNKU-MYVTVGRVSA-N 443.551 3.568 0 40 IHAB COc1ccc(OC)c(NC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H]([C@H]6C[C@H]56)[C@@H]4C3=O)c2)c1 100869258 QXSLRTUWBUCMBW-LXNNMKQJSA-N 444.487 3.514 0 40 IHAB C[C@H](OC(=O)CSCC(=O)Nc1ccc(Cl)cc1)C(=O)N1[C@@H](C)CCC[C@@H]1C 102499923 YXRHBPUTSUELOS-KKUMJFAQSA-N 426.966 3.733 0 40 IHAB COc1ccc(C(=O)[C@@H]2C(c3ccc(F)cc3)=NO[C@]23C(=O)Nc2ccccc23)cc1OC 102899001 KQDWRQLIGNCFEK-OFVILXPXSA-N 446.434 3.924 0 40 IHAB O=C(COC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)/N=c1/sccn1Cc1ccccc1Cl 103137881 NSTRRJBCKKYSIL-IRZBQOIHSA-N 446.956 3.617 0 40 IHAB COc1ccc(N2C(=O)CS[C@@]23C(=O)N(CN2CCC[C@H](C)C2)c2ccccc23)cc1 104755819 ZQJFOQBVAWPLRO-XDHUDOTRSA-N 437.565 3.664 0 40 IHAB C[C@@H]1[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)CCC[C@H]1C 104809355 JOZXKDYVUVLYIZ-TYILLQQXSA-N 430.973 3.821 0 40 IHAB O=C(CNC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1)Nc1cc(Cl)cc(Cl)c1 107908391 XUSRPUACJNBQOM-UHFFFAOYSA-N 435.094 3.994 0 40 IHAB COc1ccc(Cl)cc1N1C[C@H](C(=O)OCC(=O)Nc2cccc(C)c2C)CC1=O 138940721 UNUZAQOORSQVHT-OAHLLOKOSA-N 430.888 3.500 0 40 IHAB CCCNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)C1 165658900 UYZMBVOWRMRQGR-INIZCTEOSA-N 443.931 3.545 0 40 IHAB CN(C(=O)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1)C1CCCC1 216386081 FZLFUPGHZMGVTA-HXUWFJFHSA-N 434.945 3.697 0 40 IHAB O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCS[C@@H](c2cc(F)ccc2F)CC1 219359629 QXUSVCUMRLZOJF-HXUWFJFHSA-N 441.521 3.995 0 40 IHAB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cc(C(=O)O)cc(C(=O)O)c2)o1 222804721 MZQVNWFOLYDKKX-MOPGFXCFSA-N 437.477 3.730 0 40 IHAB CCC1(CC)C[C@H](NC(=O)CN(c2ccccc2F)S(C)(=O)=O)c2ccccc2O1 223193577 ZYBZALMJHMOOGO-SFHVURJKSA-N 434.533 3.791 0 40 IHAB CC(C)CNS(=O)(=O)Cc1cccc(NC(=O)CCn2ncc3ccc(Cl)cc32)c1 223233573 ZRVYPCSRNJHKRD-UHFFFAOYSA-N 448.976 3.794 0 40 IHAB CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCc1ccc2c(c1)OCCO2 223557089 HNNOQBSUZYRSPR-HXUWFJFHSA-N 438.568 3.767 0 40 IHAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(OC)cc1 223621126 DOLORMUWCPGNPQ-QFIPXVFZSA-N 426.557 3.968 0 40 IHAB COc1cccc(OCCNC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)c1 224075382 FYCPBRRITHOTTJ-UHFFFAOYSA-N 440.521 3.613 0 40 IHAB O=C(NCCCc1ccc(Cl)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 225537482 IVXLFPNVBKEYNT-QGZVFWFLSA-N 438.952 3.629 0 40 IHAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1CN(C(=O)c1ccccc1)c1ccc(Cl)cc1 227630696 ZFMMPPBIGVCAFH-YGBDOONVSA-N 432.907 3.997 0 40 IHAB CCCN1CCN(C(=O)c2cc(C(C)C)n[nH]2)[C@H](Cc2ccccc2-c2cccnc2)C1=O 257286455 PLQQBKAWCJFBRO-XMMPIXPASA-N 445.567 3.901 0 40 IHAB Cc1csc(Nc2cccc([C@H]3CN(S(=O)(=O)c4ccc(C)c(F)c4)CCO3)n2)n1 257312545 UOLLVCHCVVAZNP-GOSISDBHSA-N 448.545 3.800 0 40 IHAB Cc1cc(C)nc(Nc2ccc([C@@H]3CN(C(=O)CCOc4ccccc4C)CCO3)nc2)n1 257337918 YVADHZQQEXIVBB-QHCPKHFHSA-N 447.539 3.909 0 40 IHAB Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)ccc1N1C(=O)CCC1=O 408672641 VRQSQTMIUMNRHG-OAHLLOKOSA-N 440.883 3.569 0 40 IHAB O=C(Cn1cncc(-c2ccccc2)c1=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 509655596 SQBKOFNXRGEGMJ-IBGZPJMESA-N 430.489 3.943 0 40 IHAB Cc1nc([C@@H]2CCN(C(=O)c3ccccc3)C2)nc(C)c1CC(=O)NCc1ccc(F)cc1 585169058 ZGTBMFQFVRFSQM-OAQYLSRUSA-N 446.526 3.721 0 40 IHAB CN1CCN(c2ncc([C@H]3N(C)c4ccccc4C(=O)N3c3ccccc3Cl)cn2)CC1 639413862 QWKIPCGDUWBGMW-QFIPXVFZSA-N 448.958 3.677 0 40 IHAB O=C(Cc1ccc(F)cc1)N1CCC(c2n[nH]cc2C(=O)N2CCc3ccccc3C2)CC1 1848351742 KKCVWFIKQWKOKB-UHFFFAOYSA-N 446.526 3.696 0 40 IHAB CN(CCCc1nc(N(C)CCc2ccccc2)ncc1C(=O)O)C(=O)OC(C)(C)C 2037958350 IUMNDVVGTPDULL-UHFFFAOYSA-N 428.533 3.653 0 40 IHAB Cc1ccc(-n2c(SCC(=O)N3CCOCC3)nnc2-c2ccc(Cl)cc2)cc1 888291 RDNLGWSGKMGHSY-UHFFFAOYSA-N 428.945 3.847 0 40 IHAB CCOc1ccccc1NC(=O)Cn1c(C)nc2ccc(NC(=O)C(C)(C)C)cc2c1=O 920437 KPAUBAXNBLBORK-UHFFFAOYSA-N 436.512 3.727 0 40 IHAB O=C(NC1CCCCC1)[C@H](c1ccncc1)N(CCc1ccccc1)C(=O)c1csnn1 1378479 VCEVLTPARFDPKQ-QFIPXVFZSA-N 449.580 3.808 0 40 IHAB CCOc1ccccc1-n1c(SCC(=O)NCc2ccco2)nc2ccccc2c1=O 3311822 NZTDMXPFMAYLAW-UHFFFAOYSA-N 435.505 3.786 0 40 IHAB COc1cc2c(cc1OC)CN(C(=O)CSc1nnc(C)n1-c1ccc(C)cc1)CC2 8711010 QNYXFKKKJWRSNS-UHFFFAOYSA-N 438.553 3.578 0 40 IHAB Cc1ccccc1-n1nnnc1S[C@H]1CCCCN(C(=O)c2ccc(Cl)cc2)C1=O 8893013 UQMFIWFFEHQOAR-SFHVURJKSA-N 441.944 3.938 0 40 IHAB COc1ccc(CN2C(=O)[C@](O)(CC(=O)Cc3ccccc3)c3ccccc32)cc1OC 8920308 KUDKCMXABDXPCJ-SANMLTNESA-N 431.488 3.640 0 40 IHAB CCCN1C(=O)C(C)(C)COc2ccc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)cc21 9171677 PPWZGOUQEJFXCX-UHFFFAOYSA-N 445.541 3.607 0 40 IHAB Cc1c(C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)oc2ccc(F)cc12 9223284 IUTQMBYUOCWOKH-UHFFFAOYSA-N 439.487 3.806 0 40 IHAB COC(=O)c1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(Br)cc2)cc1 9403471 UGBKUVYFCWEIKY-QGZVFWFLSA-N 444.285 3.502 0 40 IHAB COc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)Nc2nc(SCc3ccccc3)nn21 9418876 IPYLVJVRDHZUSH-OAHLLOKOSA-N 443.916 3.754 0 40 IHAB COc1ccc(S(=O)(=O)N(Cc2ccco2)Cc2nnc(-c3cccs3)o2)cc1 9439824 TURZTNAYLGATHS-UHFFFAOYSA-N 431.495 3.791 0 40 IHAB Cc1ccccc1NC(=O)CSc1nnc(-c2cc(-c3ccc(Cl)cc3)n[nH]2)n1N 9452005 LGBDRLDKKJGDHT-UHFFFAOYSA-N 439.932 3.742 0 40 IHAB Cc1nc2ccccc2n1CCNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 9466734 HVOIEOBMXCKBQK-UHFFFAOYSA-N 440.550 3.637 0 40 IHAB COc1ccccc1NC(=O)CSc1nc2ncccc2c(=O)n1Cc1ccccc1 9830279 JEFAIEUSOBMGJA-UHFFFAOYSA-N 432.505 3.579 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H]3c3cccs3)CC2)cc1 10025621 VLFIWOBYSCHZCJ-FQEVSTJZSA-N 448.610 3.911 0 40 IHAB C[C@H](Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)C(=O)Nc1ccccc1F 11363732 PVQLNCVOJKJJPT-GJZGRUSLSA-N 427.501 3.834 0 40 IHAB Cc1cccc(-n2c(SCCS(=O)(=O)c3ccccc3)nc3ccccc3c2=O)n1 11396400 RSFVVUICPOGSSA-UHFFFAOYSA-N 437.546 3.655 0 40 IHAB O=C(CCCS(=O)(=O)c1ccccc1)Nc1nnc(Cc2ccc(Cl)s2)o1 11694689 RHIDGJWNCSIAQO-UHFFFAOYSA-N 425.919 3.568 0 40 IHAB O=C(c1cccnc1Cl)N1CCC(O)(Cn2ccc3nc(-c4ccncc4)ccc32)CC1 12089179 AAONVNKFZGIYGW-UHFFFAOYSA-N 447.926 3.814 0 40 IHAB Cc1sc2nc(C3CC3)n(C3CCN(CC(=O)N4CCC(C)CC4)CC3)c(=O)c2c1C 12184949 CUCMPNHWPDEXOZ-UHFFFAOYSA-N 442.629 3.848 0 40 IHAB CC(C)n1c(=O)oc2cc(S(=O)(=O)N[C@@H](Cc3ccsc3)c3cccnc3)ccc21 12228788 IXEGGYFUJLIOCK-SFHVURJKSA-N 443.550 3.894 0 40 IHAB COc1cccc(C(=O)Cn2c(=N)n(CC(=O)c3cccc(OC)c3)c3ccccc32)c1 12371529 PLBSLMHLVLOAQQ-UHFFFAOYSA-N 429.476 3.705 0 40 IHAB CC(=O)N1C(=O)[C@]2(S[C@H](C)C(=O)N2c2ccc(Br)cc2)c2ccccc21 12416874 DWWFVFVURDLLJO-NSPYISDASA-N 431.311 3.664 0 40 IHAB CC[C@@H](C(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1)c1ccccc1 12418894 XWPPZAWXDBTKTQ-HXUWFJFHSA-N 436.943 3.728 0 40 IHAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc(N3CCCCC3)c3ccncc13)C2=O 12554052 NYPPYNZVHBINSM-SSOJOUAXSA-N 449.555 3.664 0 40 IHAB COc1ccc(COC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)c2)cc1OC 12601725 MJAGEVZMGXZAES-CALCHBBNSA-N 447.553 3.727 0 40 IHAB CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)CCC(=O)c3ccc(F)cc3)n2)cc1 12736845 NAFFPWQGZJTJAQ-UHFFFAOYSA-N 447.513 3.922 0 40 IHAB Cc1ccc(OCc2nc(C(=O)Nc3cc(S(N)(=O)=O)cc(C)c3C)cs2)cc1 12796407 RNGONKGBRLMHIT-UHFFFAOYSA-N 431.539 3.547 0 40 IHAB O=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2cc(Br)ccc2F)CC1 12901198 URDNHDFQMHWWRN-UHFFFAOYSA-N 425.685 3.840 0 40 IHAB C[C@@H](NC(=O)OCc1ccccc1)C(=O)NCCSc1ccc(Br)cc1 12946792 UKPGSOFQSUILHU-CQSZACIVSA-N 437.359 3.972 0 40 IHAB COc1ccccc1COC[C@@H](O)Cn1nc(-c2ccc(F)cc2)c2ccccc2c1=O 12996526 JFEZCEDUOUPBOQ-FQEVSTJZSA-N 434.467 3.789 0 40 IHAB COc1ccc([C@H](c2nnnn2C(C)(C)C)N2CCN(c3cccc(C)c3C)CC2)cc1 13503982 LYJDPPVTFFBVBJ-HSZRJFAPSA-N 434.588 3.965 0 40 IHAB CC[C@H](C(=O)NCCSCc1ccccc1Cl)N(c1ccccc1)S(C)(=O)=O 13711170 GKOVISQYZBHJCS-LJQANCHMSA-N 441.018 3.934 0 40 IHAB CCOc1ccc(-c2cc(=O)n(CC(=O)N3CCC(Cc4ccccc4)CC3)cn2)cc1 13809100 JCWYTEAZKZXEBI-UHFFFAOYSA-N 431.536 3.790 0 40 IHAB CC(C)[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)N1CCN(Cc2cccs2)CC1 14016511 JSFPBCLJASQLPW-VWLOTQADSA-N 449.620 3.929 0 40 IHAB COc1ccc(OC)c([C@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)c1 15133031 CPYSNIWCYMAXDM-INIZCTEOSA-N 440.521 3.996 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccco2)[C@@H](C)c2ccccc2)cc1 16046146 DEHLZSKILFBRIU-SFHVURJKSA-N 442.537 3.747 0 40 IHAB COc1ccc(C(=O)Nc2nc(CC(=O)Nc3ccc(N(C)C)cc3)cs2)cc1OC 16915040 WQKZLSQTBTWTST-UHFFFAOYSA-N 440.525 3.660 0 40 IHAB COc1ccc(NC(=O)C2=C(C)Nc3nc(SC)nn3[C@@H]2c2ccccc2OC)cc1 17057165 BASPDKMFGXPUDG-LJQANCHMSA-N 437.525 3.945 0 40 IHAB C[C@@H](CCc1ccccc1)NC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 17155787 WUGCHOZHTFKLCV-FQEVSTJZSA-N 428.598 3.931 0 40 IHAB CC(C)C(=O)N1CCC[C@@H](c2cc(=O)[nH]c(C3CCN(Cc4ccsc4)CC3)n2)C1 19085473 AWKNJKUKFLFHDV-LJQANCHMSA-N 428.602 3.573 0 40 IHAB CC(C)c1cc(C(=O)N2CCC(c3cc(C(=O)NCc4cccs4)on3)CC2)on1 19452812 LLKZHWIDGSZGEO-UHFFFAOYSA-N 428.514 3.797 0 40 IHAB CC1CCC(N2CCC[C@H]2c2nc3c(c(=O)[nH]2)CN(C(=O)c2cccs2)CC3)CC1 19495951 CKGXVPGKFLYRSA-RJYAGPCLSA-N 426.586 3.746 0 40 IHAB CC(C)CNC(=O)c1cc([C@@H]2CN(C(=O)c3cc(C4CC4)on3)CCO2)nc2ccccc12 19759635 PJQRFFSUJMJYTP-QHCPKHFHSA-N 448.523 3.700 0 40 IHAB COc1ccc(C(=O)NC(=S)Nc2ccc(OC)c(-c3ccc(CO)o3)c2)cc1OC 20153462 VTDOUEYTSDHPJH-UHFFFAOYSA-N 442.493 3.592 0 40 IHAB CCOC(=O)C1=C(CN2CCc3ccccc3C2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 20213956 VPQVCGNSMGMBKM-OAQYLSRUSA-N 425.916 3.569 0 40 IHAB O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)NCc1ccc(F)cc1 20450614 GIRDZZZLURQSGQ-UHFFFAOYSA-N 432.904 3.991 0 40 IHAB CC[C@H](C(=O)N(C)Cc1ccc(OC)c(OC)c1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 20460440 BZKACXFAPDZDPV-HXUWFJFHSA-N 448.585 3.524 0 40 IHAB CCCn1c(CSC(=S)N(CC)CC)nc2cc(S(=O)(=O)N(C)C)ccc21 20681830 IERAMKPCJPRBLD-UHFFFAOYSA-N 428.649 3.557 0 40 IHAB Cn1c(C(=O)N2CCN(C(=O)c3ccccc3Br)CC2)cc2ccccc21 20744530 RBXMUBNTAZKJRW-UHFFFAOYSA-N 426.314 3.539 0 40 IHAB COC(=O)c1ccccc1NC(=O)Nc1ccc(OCc2cc(=O)n3ccccc3n2)cc1 21099737 CNVZFUGXNCXDJE-UHFFFAOYSA-N 444.447 3.704 0 40 IHAB O=C(CSc1ccc2c(c1)OCCO2)N1CCN(Cc2c(F)cccc2Cl)CC1 21926065 IUDDPYLBYRPKMX-UHFFFAOYSA-N 436.936 3.687 0 40 IHAB COc1ccc(CCCNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 22342279 UKABZQIOMVZNSB-UHFFFAOYSA-N 445.368 3.517 0 40 IHAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1ccc(OCc2csc(C)n2)cc1 23569445 STURBFMQRTUTFV-UHFFFAOYSA-N 441.528 3.948 0 40 IHAB Cc1cc(=O)oc2cc(OCc3noc(C(=O)N[C@@H](C)CCc4ccccc4)n3)ccc12 32103351 PUEQVPGXERKEBB-INIZCTEOSA-N 433.464 3.815 0 40 IHAB biogenic Cc1cc(C)c(NC(=O)CSc2nc3ccccc3c(=O)n2CCN(C)C)c(Cl)c1 32747192 XXUAGTMDWYJPIK-UHFFFAOYSA-N 444.988 3.959 0 40 IHAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cccnc1Sc1ccccc1 32820396 GRLNJLKLWWQGIP-UHFFFAOYSA-N 439.562 3.686 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3c(F)cccc3F)CC2)cc1Cl 33405530 MRELXRRLMNAMQJ-UHFFFAOYSA-N 444.887 3.666 0 40 IHAB Cc1cc(C(=O)Nc2nn(Cc3ccc(F)cc3)cc2Br)c2cnn(C)c2n1 36616306 RWMGJXZPAPWEJC-UHFFFAOYSA-N 443.280 3.675 0 40 IHAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)c1C 36753831 LVSMQXWNOLMANS-MRXNPFEDSA-N 438.524 3.771 0 40 IHAB O=C1C[C@@H](C(=O)Nc2cccc(Cl)c2)c2c(nc(Nc3ccc(Cl)cc3)[nH]c2=O)N1 40399205 MWJZZNYEIWZRFK-CQSZACIVSA-N 444.278 3.885 0 40 IHAB CCOC(=O)c1c(NC(=O)CN[C@@H](c2ccccc2)C(C)C)sc(C(=O)NC)c1C 57315509 IHLDFZBSQCDGJH-GOSISDBHSA-N 431.558 3.518 0 40 IHAB Cc1nn(C(C)C)c(C)c1NC(=O)Nc1ccc(F)c(NC(=O)CCN2CCOCC2)c1 58210965 HIHSMBBWJMDRDK-UHFFFAOYSA-N 446.527 3.525 0 40 IHAB CCc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(C(F)(F)F)cc4)ncn3n2)cc1 67208943 XKTYGTMZMXIBEC-UHFFFAOYSA-N 441.413 3.778 0 40 IHAB COc1ccc(-n2c(=O)[nH]c3cc(-c4nc(-c5cccc(C)c5)no4)ccc3c2=O)cc1 67341522 IMNMIDQSAWVCRP-UHFFFAOYSA-N 426.432 3.713 0 40 IHAB CCS(=O)(=O)Nc1ccc(NC(=O)[C@H]2CCCCN2Cc2ccc(F)cc2)cc1C 72310084 GDHWMLMYOYSZRU-OAQYLSRUSA-N 433.549 3.889 0 40 IHAB CC(C)NC(=O)c1cc([C@@H]2CN(C(=O)CCc3ccccc3)CCO2)nc2ccccc12 72352684 HKRSFAHVRHYRPM-DEOSSOPVSA-N 431.536 3.906 0 40 IHAB Cc1c(Br)c2ccccc2n1CC(=O)NCc1ccccc1N1CCOCC1 84027136 JLKYPRSQUAXORS-UHFFFAOYSA-N 442.357 3.865 0 40 IHAB CC(C)NC(=O)C[C@H]1CC2(CCN(S(=O)(=O)c3ccccc3)CC2)Oc2ccccc21 96079975 QHNIOEWBCBNARL-IBGZPJMESA-N 442.581 3.691 0 40 IHAB COc1ccc([C@@H]2SCC(=O)Nc3c2c(O)nn3[C@H]2CCOC(C)(C)C2)c(OC)c1 96117767 HFWUDNXEXUELCY-SGTLLEGYSA-N 433.530 3.511 0 40 IHAB CN(C)CCNC(=O)C[C@H]1CC2(CCN(C(=O)C3CCCCC3)CC2)c2ccccc21 96242226 DURQDRQOTNLQPP-NRFANRHFSA-N 425.617 3.682 0 40 IHAB Cc1cc(C(=O)N2CCC3(CC2)C[C@@H](CC(=O)N2CCN(C)CC2)c2ccccc23)c(C)o1 96242250 VVZIWJWZDYAASD-OAQYLSRUSA-N 449.595 3.722 0 40 IHAB COC(=O)CN[C@H](c1ccc(C)cc1)c1ccccc1NS(=O)(=O)c1ccc(C)cc1 97165856 DZPSTCRJXKFPKS-XMMPIXPASA-N 438.549 3.956 0 40 IHAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)COC[C@H]3CCCCO3)CC2)on1 100743718 RCXRJYFZSAYITG-HSALFYBXSA-N 442.560 3.724 0 40 IHAB C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 102830001 KOOYBPSPEFYTKQ-YHYVQYDKSA-N 447.535 3.634 0 40 IHAB C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@H]3C[C@@H]4[C@H](CC(=O)[C@H]5C[C@@H](O)CC[C@@]54C)[C@@H]3CC[C@H]1[C@@]2(C)O 103600699 IQDIERHFZVCNRZ-DPKWRWLXSA-N 429.645 3.886 0 40 IHAB CC[C@@H](C(=O)NCc1cccc(OC(C)C)c1)N(c1cc(C)ccc1C)S(C)(=O)=O 220547005 UZYAWVIPYLBBIF-NRFANRHFSA-N 432.586 3.952 0 40 IHAB CC[C@H](C(=O)Nc1ccccc1Br)N(c1cccc(OC)c1)S(C)(=O)=O 220613177 WFLHBTRZOBYYFY-QGZVFWFLSA-N 441.347 3.641 0 40 IHAB CCOc1cccc(CNC(=O)[C@H](CC)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)c1 220740705 KWOVHNMQFWDEFJ-FQEVSTJZSA-N 438.977 3.908 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CCCN(c2ccc(CC)cc2)S(C)(=O)=O)cc1 222639384 VOGKPEVUJPSIDP-UHFFFAOYSA-N 432.542 3.611 0 40 IHAB CCC(=O)N(Cc1ccc(OC)cc1)[C@H](Cc1ccccc1)C(=O)NCc1ccncc1 223264942 BQRDOSLOJZIDTA-XMMPIXPASA-N 431.536 3.757 0 40 IHAB CCS(=O)(=O)Nc1ccc(C(=O)Nc2nnc(SCc3ccccc3)s2)cc1 223794787 ILFLHZIHAUCFJY-UHFFFAOYSA-N 434.568 3.844 0 40 IHAB C[C@H](C(=O)Nc1ccc(Cc2ccncc2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 224006727 ZIKZWSPFKUAGDF-MRXNPFEDSA-N 427.501 3.605 0 40 IHAB Cc1ccc(Cl)cc1N([C@@H](C)C(=O)NCCc1ccc(Cl)cc1)S(C)(=O)=O 224043387 JWKFMJHTBUFFNK-AWEZNQCLSA-N 429.369 3.815 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(OC(F)(F)F)cc3)C2)cc1 224896635 CTZCWAOLNXHYLV-OAHLLOKOSA-N 442.459 3.933 0 40 IHAB COc1cccc(C(=O)N(CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c2ccc(C)cc2)c1 226399403 QJZWTKQQZUCRIR-WVYLNQBTSA-N 442.515 3.661 0 40 IHAB Cc1c(Cl)cccc1N(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C1=O)C(=O)C(F)(F)F 226401173 UOFDCAXNIFHUFR-POKDXMDSSA-N 438.833 3.554 0 40 IHAB Cn1nccc1C(=O)N1[C@H](c2cccc(C(F)(F)F)c2)C[C@]2(C)NC(=O)CCCC[C@H]12 257201398 AHNXABQZKUYJLA-WFXMLNOXSA-N 434.462 3.844 0 40 IHAB O=C(C(c1ccccc1)c1ccccc1)N1CCOC[C@@H](Cc2cn3ccnc3cn2)C1 257248976 JGBWVZNUVYUFJO-FQEVSTJZSA-N 426.520 3.579 0 40 IHAB Cc1ccc(N([C@@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)cc1C 260453296 IPYLYFOIAPSHBQ-PXNSSMCTSA-N 430.570 3.877 0 40 IHAB Cc1ccc(C)c(N([C@H](C)C(=O)NCCOc2cccc3ccccc23)S(C)(=O)=O)c1 260926691 JIWAPUZBAAUBIV-LJQANCHMSA-N 440.565 3.806 0 40 IHAB CN1C[C@@H](C(=O)N(C)Cc2ccccc2)OC2(CCN(Cc3ccc(Cl)cc3)CC2)C1 306126540 DYTIVWMIHYDEMQ-QHCPKHFHSA-N 442.003 3.664 0 40 IHAB CCn1nccc1-c1nc(C2CCN(C(=O)Cc3cccc(C(F)(F)F)c3)CC2)no1 390827053 DRPMJPADKMEGFE-UHFFFAOYSA-N 433.434 3.921 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3c(F)cccc3F)C2)cc1C 408558634 JWARETSJEYDLLE-OAHLLOKOSA-N 438.496 3.711 0 40 IHAB COc1cccc(N2C[C@@H](C(=O)OCC(=O)Nc3cc(Cl)ccc3Cl)CC2=O)c1 408646464 PHRSVJQFQYCELH-LBPRGKRZSA-N 437.279 3.537 0 40 IHAB Cc1ccc(C)c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)c2)c1 408660921 NUYPCVOMELZRCB-BGYRXZFFSA-N 432.476 3.555 0 40 IHAB CCCOC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1 408663766 NOFKAGBWGSCAAD-UHFFFAOYSA-N 446.887 3.807 0 40 IHAB CCN1C(=O)/C(=C/c2cc(Br)cc(Br)c2OC)N(C)C1=S 409038709 FIQIASRKSZNZNH-WDZFZDKYSA-N 434.153 3.640 0 40 IHAB COc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(C)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 409059136 PRNDNAUDSLZJGG-WAUWHALJSA-O 448.930 3.673 0 40 IHAB COC(=O)c1ccc(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccc(C)cc2)cc1 409173117 KBPVMDGFPMNMOU-UHFFFAOYSA-N 438.505 3.859 0 40 IHAB Cc1ccc(NC(=O)CSc2nnc([C@@H](C)NC(=O)c3ccccc3C)n2C)cc1C 409329270 DAMKITSKOUPESC-QGZVFWFLSA-N 437.569 3.962 0 40 IHAB CCc1ccc(CN(C)C(=O)Nc2ccc3c(ccn3CC(=O)N3CCOCC3)c2)cc1 523703537 OSULISQMJWGXPI-UHFFFAOYSA-N 434.540 3.726 0 40 IHAB Cc1cc(C)c(C[C@H](C(=O)N[C@@H]2CCN(C(=O)c3ccccn3)C2)C(F)(F)F)c(C)c1 535897502 ADWDXSQKRMKHGV-IEBWSBKVSA-N 433.474 3.759 0 40 IHAB CCN1CCOc2ccccc2CCCCC2(CCN(C3CCN(C)CC3)CC2)C1=O 643563614 GIAWNZDQFQYLRV-UHFFFAOYSA-N 427.633 3.817 0 40 IHAB Cc1cc2n(n1)C1(CCN(C(=O)Nc3ccccc3)CC1)CC(=O)N2Cc1ccncc1 1772596563 TWYCVNZOABDIST-UHFFFAOYSA-N 430.512 3.547 0 40 IHAB Cc1ccc(-c2cnc(Nc3cc(C[C@@H]4COCCN(CC(=O)O)C4)ccn3)s2)cc1 2037853934 AUTSBBDJALODTQ-SFHVURJKSA-N 438.553 3.833 0 40 IHAB Fc1cccc(-c2cc3nc4c(c(N5CCN(c6ncccn6)CC5)n3n2)CCCC4)c1 1341668 CAXBIDLHTOJSBF-UHFFFAOYSA-N 429.503 3.531 0 40 IHAB CCc1cc(=O)oc2c(C)c(OCC(=O)N3CCC(C(=O)O)(c4ccccc4)CC3)ccc12 2118595 UIVZQBXNCBZHEI-UHFFFAOYSA-N 449.503 3.688 0 40 IHAB biogenic COc1ccc(NC2=NC(=O)C[C@@H](C(=O)Nc3ccc(C(=O)OC(C)C)cc3)S2)cc1 2209908 ZTEWYTIRCJVDNQ-SFHVURJKSA-N 441.509 3.699 0 40 IHAB O=c1cc(COc2ncnc3sc4c(c23)CCCC4)nc2ccc(Br)cn12 2657040 QHYLSJUFANOJMA-UHFFFAOYSA-N 443.326 3.920 0 40 IHAB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2nc(CC(C)=O)ns2)cc1 3227429 MWNZCQZNNMSJTI-UHFFFAOYSA-N 433.493 3.783 0 40 IHAB Cc1ccc(S(=O)(=O)CCC(=O)OCc2cc(=O)oc3cc(C)c(Cl)cc23)cc1 3297298 QKGJYTFRPUIKDA-UHFFFAOYSA-N 434.897 3.970 0 40 IHAB C[C@H](OC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)C(=O)N1CCc2ccccc21 3340990 VGEFDHUVUYIHSL-KRWDZBQOSA-N 439.471 3.520 0 40 IHAB Cc1sc2nc(SCC(=O)N3CC(=O)Nc4ccccc43)n(C(C)C)c(=O)c2c1C 3447377 LOJOSTYTWHJULY-UHFFFAOYSA-N 442.566 3.733 0 40 IHAB CN(C(=O)COC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O)c1ccccc1 3502979 LZXLQONTMGRWNJ-UHFFFAOYSA-N 448.862 3.960 0 40 IHAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H](O)[C@@H](O)C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 4276606 HSENALUPARAQJF-JTQPAYLFSA-N 426.594 3.716 0 40 IHAB CCCCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(OCCCC)c(OCC)c1 4425895 LATGRPPUJOMKJS-HXUWFJFHSA-N 429.521 3.883 0 40 IHAB CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)[C@H](C)Oc1cccc(C)c1 4943907 DIGDCQDGXDUSLA-INIZCTEOSA-N 425.485 3.878 0 40 IHAB CCOC(=O)c1sc2ncn(CC(=O)c3ccc(Br)cc3)c(=O)c2c1C 8898098 LIYCQQPGXWZRBE-UHFFFAOYSA-N 435.299 3.589 0 40 IHAB CN(CC(=O)Nc1ccccc1Br)C(=O)CSc1nc2ccccc2[nH]1 9224054 LRTACQAYVBKNKQ-UHFFFAOYSA-N 433.331 3.515 0 40 IHAB CCn1c(=S)sc2c(=O)n(CC(=O)N3CCC(Cc4ccccc4)CC3)c(C)nc21 9409831 JYGWYQVZQBAJFB-UHFFFAOYSA-N 442.610 3.799 0 40 IHAB CCc1cc(I)ccc1NC(=S)NC(=O)/C=C/c1ccco1 9493464 RLGNEBAHZGBIRJ-SOFGYWHQSA-N 426.279 3.973 0 40 IHAB COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 9503126 LJCXRQVDZXYTJG-FQEVSTJZSA-N 443.503 3.935 0 40 IHAB O=C(Nc1nc(CC(=O)N2CCN(c3ccccc3)CC2)cs1)c1ccc(Cl)cc1 9573707 FBSMXCJLBLNYPO-UHFFFAOYSA-N 440.956 3.940 0 40 IHAB O=C1C[C@H](N2CCN(c3ccccc3)CC2)C(=O)N1c1ccc(Oc2ccccc2)cc1 9613524 UDTCKNMNQIIRKO-DEOSSOPVSA-N 427.504 3.933 0 40 IHAB COc1ccc(Cl)cc1NC(=O)CSc1nnc(NC(=O)NC(C)(C)C)s1 9744070 QHBHMWVHQOPQHS-UHFFFAOYSA-N 429.955 3.851 0 40 IHAB COc1cccc(-c2ccc3nnc(SCC(=O)Nc4cc(C)ccc4OC)n3n2)c1 9829145 ZQORLKIYGFVFEK-UHFFFAOYSA-N 435.509 3.848 0 40 IHAB CCCn1c(SCC(=O)Nc2ccc(N3CCCC3=O)cc2)nnc1-c1ccncc1 9833488 LDXKRTQJHPBLMQ-UHFFFAOYSA-N 436.541 3.608 0 40 IHAB CCCN(CCC)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)NC2CC2)c1 9955486 BWBULTIWOZDUAJ-UHFFFAOYSA-N 443.569 3.642 0 40 IHAB CCOc1cccc2sc(N(CCN(C)C)C(=O)c3ccc4c(c3)OCCO4)nc12 10065837 GUEJZPIBPZKHNG-UHFFFAOYSA-N 427.526 3.675 0 40 IHAB O=C(NCCc1cnn(-c2ccccc2)c1)c1nn(Cc2ccccc2)c(=O)c2ccccc12 11556069 AVTSKVNMKJOZCU-UHFFFAOYSA-N 449.514 3.603 0 40 IHAB COc1cc(C)c(NC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)cc1OC 11644123 UKTZEUBNFSNMAJ-UHFFFAOYSA-N 437.473 3.642 0 40 IHAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)CCc2ncc(-c3ccccc3F)o2)c1C 12278545 JJYMZWCHRHHVCL-AWEZNQCLSA-N 442.443 3.959 0 40 IHAB Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)CSc1ncc(-c2ccccc2)nn1 12462577 SVHHEBYMWQCPJF-KNQAVFIVSA-N 431.565 3.774 0 40 IHAB O=C(CCc1nc(-c2ccc(F)cc2)no1)N1CCN(Cc2cccc(Cl)c2)CC1 12553086 PHJSXUYPCZNREH-UHFFFAOYSA-N 428.895 3.806 0 40 IHAB COc1ccc(NC(=O)c2ccccc2NC(=O)CSc2nnc(C3CC3)n2C)cc1 12678574 YMRJGCICONMZJV-UHFFFAOYSA-N 437.525 3.684 0 40 IHAB CN(C)[C@H](CNC(=O)CCn1c(S)nnc1-c1cccs1)c1ccccc1Cl 12730707 QBCNLKLFELCTDR-OAHLLOKOSA-N 436.006 3.758 0 40 IHAB Cc1nn(C)c(C)c1NC(=O)C[C@@H](NS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 12949289 DGFCRQOZDSZYJS-LJQANCHMSA-N 446.960 3.739 0 40 IHAB Cc1ccc(-n2nc(C)cc2NC(=O)CN(C)CC(=O)Nc2ccccc2Cl)cc1 13019067 VQEIZRWMXKQHHR-UHFFFAOYSA-N 425.920 3.652 0 40 IHAB COCCn1c(SCC(=O)c2ccc3c(c2)OCCO3)nnc1-c1ccc(Cl)cc1 13114693 HWXBSYNXHJHTPU-UHFFFAOYSA-N 445.928 3.991 0 40 IHAB O=S(=O)(Nc1nc2ccccc2nc1N1CCCCCC1)c1ccc2c(c1)OCCO2 13117404 JAHTYAGUDCPIFH-UHFFFAOYSA-N 440.525 3.582 0 40 IHAB COc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccc(F)cc4)[nH]c(=O)c32)c(OC)c1 13567365 VIAFMGWDJUHSIU-INIZCTEOSA-N 441.484 3.693 0 40 IHAB COc1ccccc1N1C(=O)[C@@H]2C3c4ccccc4C([C@@H](C)O)(c4ccccc43)[C@@H]2C1=O 13635366 JSQDKYULULSUCM-ZCXBTPBDSA-N 425.484 3.627 0 40 IHAB C[C@@H](C(=O)Nc1cccc(Br)c1)N1CCC(C(=O)Nc2ccccc2O)CC1 15044935 MXYFMOOOMUOSHD-AWEZNQCLSA-N 446.345 3.832 0 40 IHAB COc1c(Br)cc(Br)cc1C(=O)NC(=S)NC1CCCC1 17099921 WKUFMUVQTZUUNM-UHFFFAOYSA-N 436.169 3.767 0 40 IHAB COc1cccc(O[C@H](C)C(=O)N2CC[C@@H](c3cc4nc(C)cc(C(F)(F)F)n4n3)C2)c1 19116958 BQMFMQFYSRLLJQ-HUUCEWRRSA-N 448.445 3.849 0 40 IHAB Nc1nc(CSCC(=O)Nc2ccccc2Br)nc(Nc2ccccc2)n1 19223715 VADRXHADNYYJDU-UHFFFAOYSA-N 445.346 3.832 0 40 IHAB O=C(C[C@H]1NC(=O)c2ccccc21)N[C@@H]1CCCc2c1cnn2Cc1ccc(Cl)cc1 19375060 DNGQZEUODYOZQS-NHCUHLMSSA-N 434.927 3.953 0 40 IHAB CCCN1CCN(Cc2nccn2CC)C[C@H](Cc2cccc(-c3cccnc3)c2)C1=O 19503074 UCRIZNSXDABHEY-DEOSSOPVSA-N 431.584 3.878 0 40 IHAB Cc1nc([C@@H]2CCCN2Cc2cccnc2N(C)C)ncc1C(=O)NCc1ccc(F)cc1 19755041 HFHFEGIUXVKILI-QFIPXVFZSA-N 448.546 3.652 0 40 IHAB COCCNC(=O)c1cc([C@H]2CN(Cc3ccc(C)cc3OC)CCO2)nc2ccccc12 19762031 BMYFSVVZATVQKX-RUZDIDTESA-N 449.551 3.502 0 40 IHAB Cc1nc([C@H]2CCCCN2C(=O)c2cccnc2N)ncc1C(=O)Nc1ccccc1F 19764722 OQMZNLVZVZUXSZ-LJQANCHMSA-N 434.475 3.521 0 40 IHAB CCOC(=O)c1c(NC(=O)c2ccc(NS(=O)(=O)CC)cc2)sc2c1CCCC2 19886502 IQXMKBVSKGZTLT-UHFFFAOYSA-N 436.555 3.818 0 40 IHAB Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccccc2)c(C)c1 19931314 JKXHHYLPEDWATO-HSZRJFAPSA-N 436.577 3.818 0 40 IHAB COc1ccc([C@@H](CC(=O)NC2CCCCC2)N(C)S(=O)(=O)c2ccccc2)cc1 19935783 QGLLMFXKGQUWLN-JOCHJYFZSA-N 430.570 3.896 0 40 IHAB C[C@H](NC(=O)CCc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(Br)cc1 20024394 MYKPRPIURMZNBC-AWEZNQCLSA-N 439.375 3.509 0 40 IHAB O=C1Nc2ccccc2C2=N[C@H](CN3CCN(c4cccc(C(F)(F)F)c4)CC3)CN12 20219128 GXHDKULPZQMFKQ-MRXNPFEDSA-N 429.446 3.504 0 40 IHAB CC1=C(NC(=O)c2cc(-c3ccc4c(c3)OCO4)on2)[C@H](C)NN1Cc1ccccc1C 20418498 NMXVMTPBJZKXLA-HNNXBMFYSA-N 432.480 3.749 0 40 IHAB CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1cccc2ccccc12 20802524 ZZFIIBBYSJSBLW-XZOQPEGZSA-N 443.503 3.951 0 40 IHAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(C(F)(F)F)cc2)c1 22229884 FBSHMTUCTGKOCF-QGZVFWFLSA-N 442.459 3.814 0 40 IHAB O=C(Cn1nc2c(c1NC(=O)Cc1ccccc1Cl)CSC2)NCc1ccccc1 23139470 NMHSNYOEWLBGFH-UHFFFAOYSA-N 440.956 3.781 0 40 IHAB O=C(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)Nc1ccccc1-c1ccccc1 23200264 FWWSZKBXCXGRTO-HSZRJFAPSA-N 438.487 3.937 0 40 IHAB CCCCN(C)S(=O)(=O)c1ccc(NC(=O)c2cc(Cl)c3c(c2)OCCO3)cc1 24550977 GOWLNXFDQIGSHX-UHFFFAOYSA-N 438.933 3.784 0 40 IHAB COc1ccccc1NC(=O)[C@H](C)OC(=O)[C@H](C)SCC(=O)Nc1ccc(C)cc1 24791708 MQJKVICBYQTVQB-HOTGVXAUSA-N 430.526 3.634 0 40 IHAB C[C@@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)C(c1ccccc1)c1ccccc1 30358705 DDNUCDMAOJCLQN-QGZVFWFLSA-N 429.563 3.589 0 40 IHAB Cc1sc2ncn(CC(=O)NCc3ccc(CN4CCC(C)CC4)cc3)c(=O)c2c1C 31200895 ROWPWKDHCFSDGY-UHFFFAOYSA-N 438.597 3.623 0 40 IHAB CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N(C)C[C@@H]1COc2ccccc2O1 32674284 LFQJLHAOSAJZNM-ZDTAZNBCSA-N 440.584 3.642 0 40 IHAB O=C(CSc1nc(COc2ccc(Cl)cc2)n[nH]1)N[C@H]1CCOc2ccccc21 32745258 KRSWSFFNUAGZAW-INIZCTEOSA-N 430.917 3.769 0 40 IHAB CN(c1ccc(F)c(F)c1)S(=O)(=O)c1ccsc1-c1nc(-c2cccnc2)no1 38651902 YQFWNEHFXKWEHW-UHFFFAOYSA-N 434.449 3.963 0 40 IHAB CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=S)N[C@@H]1c1cnc(N2CCCC2)nc1 40152378 ANLLZOFFCXAEBD-HXUWFJFHSA-N 437.569 3.658 0 40 IHAB Cc1ccc(Cn2c(=O)c3ccccc3n(CC(=O)Nc3ccc(Cl)cc3)c2=O)cc1 40478473 IKKLPVCSABJEPP-UHFFFAOYSA-N 433.895 3.812 0 40 IHAB CC[C@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1Cl)C(=O)OC 43735309 JLTFFELJKDPHEW-SDDDUWNISA-N 439.343 3.961 0 40 IHAB Cc1oc(C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)cc1S(=O)(=O)N1CCCC1 48234506 FQLRYKFNCVBCHS-UHFFFAOYSA-N 445.472 3.951 0 40 IHAB CCOc1cccc(CNC(=O)c2nnn(-c3ccc(Br)c(C)c3)c2C)c1 51317886 ANHRBSKOEFTGQD-UHFFFAOYSA-N 429.318 3.975 0 40 IHAB CSc1nn(CC(=O)Nc2cccc(F)c2)c(N)c1-c1nc(-c2ccc(C)cc2)no1 57354744 RREIDWRMRMZHJY-UHFFFAOYSA-N 438.488 3.990 0 40 IHAB O=C(Nc1nnc([C@H]2CCCO2)s1)c1cc(=O)c(OCc2ccc(Cl)cc2)co1 61721827 UAVADKXSALVQDY-CQSZACIVSA-N 433.873 3.828 0 40 IHAB COc1cc2oc(=O)cc(C)c2cc1CCC(=O)Nc1cc(OC)c(OC)c(OC)c1 70666301 GJLFROHJPXCMID-UHFFFAOYSA-N 427.453 3.707 0 40 IHAB biogenic Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)nnn1CC(=O)NCc1ccc(F)cc1 71327404 ZASDHCLYWRQHGX-UHFFFAOYSA-N 436.274 3.601 0 40 IHAB CCn1c(SCC(=O)c2ccc(OC)c(O)c2OC)nnc1-c1ccccc1OC 72191453 HKOPFLPUZXNTRV-UHFFFAOYSA-N 429.498 3.671 0 40 IHAB CC(C)(C(=O)N1CCC(Nc2nc(C(F)(F)F)cc(=O)[nH]2)CC1)c1ccc(Cl)cc1 72389405 ONLIXDFGTXBFKB-UHFFFAOYSA-N 442.869 3.823 0 40 IHAB Cc1cccc(-c2cccc(C[C@@]3(C(N)=O)CCCN(C(=O)Cc4c(C)n[nH]c4C)C3)c2)c1 72391531 CYBZBYMPKHEGBX-MHZLTWQESA-N 444.579 3.881 0 40 IHAB CC(=O)N1Cc2ccccc2OC2(CCN(CC(=O)Nc3c(C)cc(C)cc3C)CC2)C1 72394429 QGHRKGJAZBONSL-UHFFFAOYSA-N 435.568 3.826 0 40 IHAB Cc1cccn2cc(CC(=O)N3CCN(C(=O)OC(C)(C)C)CC34CCCCC4)nc12 78879410 LZYAZVCOMYLHDO-UHFFFAOYSA-N 426.561 3.967 0 40 IHAB CC(C)Oc1ccc(NC(=O)NCCCN2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1 79052678 BYNXCRPPHCVXIW-UHFFFAOYSA-N 438.544 3.677 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)OCC(=O)c1ccccc1Cl 89643165 LYPPTBMKUNQSIS-UHFFFAOYSA-N 435.929 3.863 0 40 IHAB CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc(N2CCCC2=O)ccc1F 89977227 XWKKFGAZXXLKHU-HXUWFJFHSA-N 439.531 3.785 0 40 IHAB COc1ccc([C@H](NC(=O)CN[C@@H](c2nc(-c3ccncc3)no2)C(C)C)C(C)C)cc1 95466604 ULWVTNJUGLLVNK-FGZHOGPDSA-N 437.544 3.940 0 40 IHAB O=C(Nc1ccccc1-c1ccccc1)[C@@H]1CCCN(c2ccc(-n3cncn3)nn2)C1 96124096 GFQPPCVHJNZKGK-LJQANCHMSA-N 425.496 3.579 0 40 IHAB CN1CCN(C(=O)c2cnc(-c3noc4cc(NCc5ccccc5)ccc34)s2)CC1 96266593 JJQDTVZFOWHALH-UHFFFAOYSA-N 433.537 3.951 0 40 IHAB CCOC(=O)c1nc(C)n(C)c1NC(=O)COc1ccc2cc(Br)ccc2c1 97162859 DFCFQVMKEBRWCX-UHFFFAOYSA-N 446.301 3.838 0 40 IHAB Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccccc2C(=O)c2ccc(Cl)cc2)cc1 97165834 YVLMDQLQRRYENL-UHFFFAOYSA-N 442.924 3.796 0 40 IHAB COc1cc(-c2ccc3c(n2)[C@@H](C)N(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC 114217663 DREWJJJKWOJZQM-LLVKDONJSA-N 433.390 3.641 0 40 IHAB COc1ccccc1CCCNC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1 218798124 XTUYDQYJLPVHOT-UHFFFAOYSA-N 444.578 3.944 0 40 IHAB Cc1cccc(CSCCNC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)c1 219700059 VJRQNWPOZBGFCT-UHFFFAOYSA-N 442.606 3.818 0 40 IHAB CCOc1ccc(N([C@H](CC)C(=O)Nc2cc(Cl)ccc2OC)S(C)(=O)=O)cc1 220668505 CZEIJIBQYJHKJP-GOSISDBHSA-N 440.949 3.931 0 40 IHAB O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)NCc1cccc2ccccc12 222648115 KWUSXUBMXCVETK-UHFFFAOYSA-N 438.549 3.756 0 40 IHAB O=C(NCc1ccc2ccccc2c1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 222803410 FNYXYWSBLBPBPV-NRFANRHFSA-N 428.941 3.963 0 40 IHAB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cc(C(=O)O)cc(C(=O)O)c2)o1 222804787 MZQVNWFOLYDKKX-RBUKOAKNSA-N 437.477 3.730 0 40 IHAB CS(=O)(=O)N(CC(=O)NCc1cccc2ccccc12)c1ccccc1Br 222840339 HOVRYFBTDKTKIK-UHFFFAOYSA-N 447.354 3.685 0 40 IHAB C[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CCc1ccc2c(c1)OCCO2 223128849 ACTSEMXPEWYIJB-LJQANCHMSA-N 438.568 3.765 0 40 IHAB O=C(O)c1ccc(Cl)c(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCO)o2)c1 223596359 CNEDKEDGRQZMNP-OALUTQOASA-N 443.912 3.658 0 40 IHAB CCCc1ccc(OCCNC(=O)[C@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 223895526 ZFEXMEBHPNZZMS-IBGZPJMESA-N 432.586 3.606 0 40 IHAB CC[C@@H](C(=O)Nc1ccc2c(c1)sc(=O)n2CC)N(c1ccc(C)cc1)S(C)(=O)=O 225103463 GFVBIYBQLGODNM-KRWDZBQOSA-N 447.582 3.575 0 40 IHAB Cc1cc(N2CCCCC2)nc(NC(=S)NCC2(c3ccccc3)CCOCC2)n1 225994120 FKWQJUXFFLDOBF-UHFFFAOYSA-N 425.602 3.810 0 40 IHAB CCOc1ccc(N(CC(=O)NCC(C)(C)C)S(=O)(=O)c2cc(C)ccc2OC)cc1 226074681 PODRMQCHYFDBRG-UHFFFAOYSA-N 448.585 3.760 0 40 IHAB Cc1noc(C)c1CCC(=O)N1CCC[C@H](c2n[nH]cc2C(=O)N(C)C2CCCCC2)C1 257227877 FRIPJCSILXOCIK-SFHVURJKSA-N 441.576 3.758 0 40 IHAB O=C1CCCN1Cc1cccc(C(=O)N2CCC[C@H]2c2nc(Cc3ccc(F)cc3)n[nH]2)c1 257239076 HNWDFTBSGZPADJ-NRFANRHFSA-N 447.514 3.634 0 40 IHAB COc1ccc(C(=O)O)c(OCC(=O)N(Cc2ccccc2)Cc2ccc3c(c2)OCO3)c1 257254415 KCYOTRGCOOOYHY-UHFFFAOYSA-N 449.459 3.730 0 40 IHAB O=C(c1cccc(Cn2ccnc2)c1)N1CCOC[C@@H](Cc2cncc3ccccc23)C1 257257429 KPNVCPQQVKVWFE-NRFANRHFSA-N 426.520 3.811 0 40 IHAB CC(C)(NC(=O)Cc1ccccc1)C(=O)N1CCC[C@H](Cc2cccn3ccnc23)CC1 257276846 NVJILVNFRKPMID-NRFANRHFSA-N 432.568 3.643 0 40 IHAB CN(C)c1ncc(-c2cnn(C)c2)c([C@H]2CCN(Cc3ccc4c(c3)CC(C)(C)O4)C2)n1 257296518 RDEPNBJZWUYSSV-SFHVURJKSA-N 432.572 3.646 0 40 IHAB CCn1nc(C)c(CN2CCO[C@H](c3cc(CCOc4ccc(F)cc4)n(C)n3)C2)c1C 257340051 ZEGXBYXCYGGXRW-DEOSSOPVSA-N 441.551 3.587 0 40 IHAB C[C@H](C(=O)Nc1ccccc1Br)N(c1cccc(Cl)c1)S(C)(=O)=O 408555459 FZIGEZLEWYNQMQ-LLVKDONJSA-N 431.739 3.896 0 40 IHAB COC[C@@H](C)NS(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1 408636279 NIZGICGESWRUBB-CYBMUJFWSA-N 430.448 3.579 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)N[C@H](C)CCc1ccccc1 408701474 YMGPKVCZYCHDPM-LJQANCHMSA-N 444.597 3.867 0 40 IHAB CC[C@H](C)NC(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1 408942567 ZJCGLRJGIDPRMN-HNNXBMFYSA-N 439.375 3.555 0 40 IHAB CCCCNC(=O)CN1C(=O)S/C(=C\c2c(OC)ccc3ccc(OC)cc23)C1=O 409217412 UJUMYNCQXSOHKS-UNOMPAQXSA-N 428.510 3.810 0 40 IHAB COc1ccccc1Cc1nnc(N2CCO[C@@H]([C@@H]3CCCO3)C2)n1CCc1ccccc1 670156093 KBYZVXHGXDVJGN-BJKOFHAPSA-N 448.567 3.504 0 40 IHAB COc1ccc(CCNC(=O)N2CC[C@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@@H]32)cc1 1889211597 RFLWBJPNPDWPHZ-LPHOPBHVSA-N 434.462 3.572 0 40 IHAB Cc1cc(C)c2cc(CN(C[C@H]3CCCO3)S(=O)(=O)c3ccc(F)cc3)c(=O)[nH]c2c1 914642 UCAYCYWGBJHEEY-LJQANCHMSA-N 444.528 3.654 0 40 IHAB CCn1c(SCC(=O)NC2CCCCC2)nnc1[C@H](C)NC(=O)c1cccc(C)c1 4699317 SKGLQBSSODAWOO-INIZCTEOSA-N 429.590 3.638 0 40 IHAB CC[C@@H](C)[C@@H](NC(=O)[C@@H](C)NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 4761236 UROYZANJRMCQNS-DBXWQHBBSA-N 426.513 3.576 0 40 IHAB O=C(O)C[C@H](NC(=O)CCCCCN1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1 8867268 XLCBOTQHSAUUQI-IBGZPJMESA-N 442.899 3.829 0 40 IHAB COc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2ccc(F)c(Cl)c2)cc1 9236726 POOQXEMQTBWHRC-SJORKVTESA-N 433.896 3.785 0 40 IHAB COc1ccc(Cl)cc1NC(=O)CSc1nnc2ccc(-c3cccnc3)nn12 9241423 GZSAABRTQBPKCU-UHFFFAOYSA-N 426.889 3.579 0 40 IHAB CSc1cccc(NC(=O)CSc2nnc([C@H](C)NC(=O)c3ccccc3)n2C)c1 9305126 INBXFHJLJITJFJ-AWEZNQCLSA-N 441.582 3.759 0 40 IHAB COc1ccc(CCc2nnc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4C)C3)s2)cc1 9426540 JJJITMUETWSBPN-QGZVFWFLSA-N 436.537 3.632 0 40 IHAB C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2)C1=O)c1ccc2c(c1)CCCC2 9496033 RDVVSNQYKNHVGA-IZHWHUGBSA-N 439.943 3.863 0 40 IHAB Cc1cc(C(=O)Cn2cnc3ccccc3c2=O)c(C)n1C[C@H]1COc2ccccc2O1 9595937 UBZCAAKLUCAMFF-SFHVURJKSA-N 429.476 3.538 0 40 IHAB O=C(Nc1ccnn1Cc1ccccc1Cl)c1cccc(S(=O)(=O)N2CCCC2)c1 9605751 XECRFQQAFQNDGA-UHFFFAOYSA-N 444.944 3.622 0 40 IHAB COc1ccc(Cn2c(=O)c3ncccc3n(Cc3ccc(Cl)c(Cl)c3)c2=O)cc1 9660626 OZMJCVWRBBRAIM-UHFFFAOYSA-N 442.302 3.970 0 40 IHAB CCOC(=O)C1=C(COC(=O)c2cc3c(s2)CCCC3)NC(=O)N[C@@H]1c1cccs1 9666634 RKNUUDTUIIWKLF-GOSISDBHSA-N 446.550 3.717 0 40 IHAB CCn1c(CSc2ccc(C)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 9669764 GBTCMHCEZCKJOU-UHFFFAOYSA-N 431.583 3.678 0 40 IHAB O=C(c1ccccc1)c1ccc(OCC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 9737447 FERMBJITMWVZKA-QFIPXVFZSA-N 449.528 3.517 0 40 IHAB COc1ccc(CNc2nc3cc(OC)c(OC)cc3c3nc(-c4cccnc4)nn23)cc1 9831158 XBWUDOKKHASOHD-UHFFFAOYSA-N 442.479 3.977 0 40 IHAB C[C@@H](NC(=O)c1ccccc1NC(=O)Cn1cnc2sccc2c1=O)c1ccccc1 9951102 MIUIDOOSSKHJBW-OAHLLOKOSA-N 432.505 3.588 0 40 IHAB Cc1cc(Cl)ccc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Br)cc1 10041569 OOBHFKKJUIAFNJ-LLVKDONJSA-N 431.739 3.716 0 40 IHAB COC(=O)c1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cc(C)on2)cc1 10233014 ZEYLENWYJKSKRQ-HXUWFJFHSA-N 430.416 3.934 0 40 IHAB Fc1ccc(-c2noc(CSc3nnc(N4CCCC4)n3C[C@@H]3CCCO3)n2)cc1 10873223 USLVYUXJWWGKSV-INIZCTEOSA-N 430.509 3.539 0 40 IHAB O=C(c1cc2c(s1)CCCCCC2)N1CCC(NS(=O)(=O)c2ccccc2)CC1 11163295 YRHLLAQGSBAOJA-UHFFFAOYSA-N 432.611 3.990 0 40 IHAB O=C(COC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)NC(=O)c1ccco1 12719283 SNBPAKSOQHNPMB-UHFFFAOYSA-N 449.850 3.899 0 40 IHAB O=C(Nc1cccc(Cl)c1Cl)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 12759962 NDYGTLQFZIINDT-ZDUSSCGKSA-N 429.325 3.703 0 40 IHAB CC(C)(C)NC(=O)[C@H](c1ccc(F)cc1)N(Cc1ccccc1)C(=O)c1csnn1 12871539 UYGGFTPEMLGWSP-IBGZPJMESA-N 426.517 3.976 0 40 IHAB C[C@H]1Cc2cc(C(=O)N(C)Cc3cccc(Cl)c3Cl)ccc2N1S(C)(=O)=O 12973222 DAOXEHGLIUJEMF-LBPRGKRZSA-N 427.353 3.976 0 40 IHAB O=C(COc1ccccc1C(F)(F)F)Nc1cccc(S(=O)(=O)N2CCCC2)c1 13021847 SCQBVLTYEWKYOE-UHFFFAOYSA-N 428.432 3.507 0 40 IHAB CC(=O)N[C@@H](Cc1ccc(C(C)C)cc1)C(=O)NC1CCN(C(=O)c2ccc(C)cc2)CC1 13085062 PEQYAHBDROLPQT-VWLOTQADSA-N 449.595 3.587 0 40 IHAB CC[C@H](C(=O)Nc1ccc(Br)cc1)N(c1ccc(C)cc1)S(C)(=O)=O 13713091 UVVCQYDEXSPXDN-QGZVFWFLSA-N 425.348 3.941 0 40 IHAB O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@@H]2CCCN21 13810967 YMMCMGWBBRTWFX-MANSERQUSA-N 429.303 3.829 0 40 IHAB CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1CSc1nc(C)nc2ccccc12 13942907 LRGHBUOWVPQRPG-UHFFFAOYSA-N 428.514 3.553 0 40 IHAB Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)c(C)c1 14094561 RNCUKFYYXUTYCI-UHFFFAOYSA-N 443.352 3.883 0 40 IHAB Cc1cc(C)n2c(SCC(=O)N[C@H](c3ccc4c(c3)OCCCO4)C(C)C)nnc2n1 14167613 NZJFVXUOZCGSDG-FQEVSTJZSA-N 441.557 3.508 0 40 IHAB O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1cc(Cl)cc(Cl)c1 14824911 BYSYBTNMSXZWBC-UHFFFAOYSA-N 443.352 3.586 0 40 IHAB COc1ccc(Cn2nnnc2SCC(=O)c2cc(C)n(-c3nccs3)c2C)cc1 16369122 WLHRLQUJPPDQKK-UHFFFAOYSA-N 440.554 3.569 0 40 IHAB Cc1ccc(N2C[C@H](C(=O)Oc3cccc(N4C(=O)[C@H]5CCCC[C@H]5C4=O)c3)CC2=O)cc1 18244649 RYAFGJQWHNFHMC-YHYVQYDKSA-N 446.503 3.633 0 40 IHAB CCN(C(=O)c1c[nH]nc1C1CCN(C(=O)COc2ccccc2)CC1)c1ccccc1 19526672 ALEOGVVXHIPEDS-UHFFFAOYSA-N 432.524 3.861 0 40 IHAB CCNC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCCN(C(=O)c2ccn(C)n2)C1 19528685 VNPBSUHHPNUYBW-SANMLTNESA-N 430.552 3.688 0 40 IHAB CCNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN(Cc2cnn(CC)c2)C1 19528758 VTHNQNDSJHIJEG-AREMUKBSSA-N 431.584 3.926 0 40 IHAB COc1ccccc1C(=O)N1CCC[C@@](Cc2ccccc2-c2cccnc2)(C(N)=O)C1 19568681 YAAFYXYUSPCQAF-SANMLTNESA-N 429.520 3.708 0 40 IHAB C[C@@]1(C2CCN(CC(=O)N3CCCCC3)CC2)CCCCN(CCc2ccccc2)C1=O 19744116 RNKGPOPFSFXPAZ-MHZLTWQESA-N 439.644 3.972 0 40 IHAB COc1ccccc1OCC(=O)N1CCN(Cc2nc(-c3ccc(F)cc3)cs2)CC1 21687393 OSSATJHWJLNSBT-UHFFFAOYSA-N 441.528 3.681 0 40 IHAB CC(C)n1cnc2nc(COc3cccc(NC(=O)c4ccc(Cl)cc4)c3)cc(=O)n21 21796825 GUTYFSMJBAKORG-UHFFFAOYSA-N 437.887 3.957 0 40 IHAB CCCS(=O)(=O)N1CCCc2ccc(NC(=O)Nc3ccc(OC)c(OC)c3)cc21 22504147 UWSDFQKBHGHCCS-UHFFFAOYSA-N 433.530 3.840 0 40 IHAB O=C(c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)N1CCN(CCN2CCCC2)CC1 22781306 YRVNBIWAJHGYKH-UHFFFAOYSA-N 447.558 3.532 0 40 IHAB Cc1c(C(=O)NC[C@H](c2ccco2)N(C)C)sc2nc(Cc3ccccc3)[nH]c(=O)c12 23236413 PXSFIBZGPAJVLS-MRXNPFEDSA-N 436.537 3.510 0 40 IHAB Cc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN2CCOCC2)cc1 24147999 QIZXNUBWHOWOPC-DEOSSOPVSA-N 446.547 3.986 0 40 IHAB CCOc1ccc(CN2CCN(C(=O)c3cc(C4CC4)nc4c3c(C)nn4C)CC2)cc1 24498180 YPGDGUNBNKCNEG-UHFFFAOYSA-N 433.556 3.511 0 40 IHAB O=c1[nH]c2ccccc2n1CCCSCc1cc(=O)n2c3c(sc2n1)CCCC3 25607722 SFMPAEWSBRRTFD-UHFFFAOYSA-N 426.567 3.601 0 40 IHAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(F)cc2)cc1C(=O)N1CCCCCC1 30848315 LUMAQPQAGVOTTH-MRXNPFEDSA-N 434.533 3.890 0 40 IHAB COc1ccc2[nH]c3c(c2c1)CCN([C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=O)C3 30903980 GISSEHZAJRJWSY-FQEVSTJZSA-N 443.425 3.886 0 40 IHAB biogenic COc1ccc(CCNCc2ccc(Oc3nnnn3-c3ccccc3)cc2)cc1OC 32616953 BZPYSUFUJYYTBK-UHFFFAOYSA-N 431.496 3.804 0 40 IHAB COc1cccc(/C=C/C(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)c1OC(F)F 32820907 WTEPQGSIRRHEFJ-MDZDMXLPSA-N 446.450 3.893 0 40 IHAB Cc1noc2nc(-c3ccco3)cc(C(=O)OCc3cc(=O)n4cc(Cl)ccc4n3)c12 32869727 ZOXSYPOCXGBVQF-UHFFFAOYSA-N 436.811 3.810 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)Cc2nc(-c3ccccc3)oc2C)c1 32905164 RLVNEAGRTUVWOM-UHFFFAOYSA-N 443.525 3.567 0 40 IHAB CS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1cccc(/C=C/c2ccccn2)c1 32976402 DSLOEDAGVSRXCF-MDRMPYQZSA-N 433.533 3.577 0 40 IHAB CC(=O)c1ccc(NC(=O)Cn2cc(-c3nc(-c4ccc(C)cc4)no3)ccc2=O)cc1 33170488 VAGOZLWJZYRAEQ-UHFFFAOYSA-N 428.448 3.715 0 40 IHAB CC1=C[C@@H](CNC(=O)CN(C)C)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2F)o1 35442823 ZQVOBKVBNMFFGE-BJLQDIEVSA-N 428.552 3.951 0 40 IHAB biogenic,in-vitro COC(=O)[C@@H](Cc1ccccc1)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1 36579856 KHTZXSJJPXANJV-CTNGQTDRSA-N 438.915 3.505 0 40 IHAB C[C@H]1CN(c2ccc(NC(=O)N(C[C@@H]3CCCO3)C[C@@H]3CCCO3)cc2F)C[C@@H](C)O1 48302287 WRIUSJGKZLKNKS-HNJRGHQBSA-N 435.540 3.631 0 40 IHAB Cc1ccc(C)c(N(C)C(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)c1 48354734 DPKFUOXLDRRMAF-UHFFFAOYSA-N 432.450 3.639 0 40 IHAB Cc1ccc(-c2cc(C(=O)N3CCC(NC(=O)c4ccc(N(C)C)cc4)CC3)[nH]n2)c(C)c1 49406670 WAOLQPIRJMQSIB-UHFFFAOYSA-N 445.567 3.794 0 40 IHAB COc1ccc([C@H]2CC(=O)N(c3ccc(F)cc3)c3c2sc(=O)n3C)c(OC)c1OC 49545910 RVMDXWXJYBYLNB-OAHLLOKOSA-N 444.484 3.812 0 40 IHAB CCOc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3C)nc3[nH]ncc3c2=O)cc1 51316438 IGRSSNOPCZTAJZ-UHFFFAOYSA-N 449.536 3.855 0 40 IHAB COc1ccc(OCC(=O)N2CCN(c3c(F)c(F)c(Cl)c(F)c3F)CC2)cc1 57317308 VQXOPMZDVJGGQG-UHFFFAOYSA-N 432.801 3.633 0 40 IHAB CCOC(=O)C1=C(CN2CC=C(c3ccccc3)CC2)NC(=O)N[C@@H]1c1cccc(OC)c1 57414731 BFZJRJMESKIQAQ-XMMPIXPASA-N 447.535 3.656 0 40 IHAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1nc(-c2ccccc2)oc1C 58156739 WJKMAQJCWFJGLH-QHCPKHFHSA-N 430.508 3.537 0 40 IHAB C[C@@H](CC(C)(C)c1ccccc1)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 60111086 PDQDPOZGCDZMIW-PMACEKPBSA-N 428.598 3.960 0 40 IHAB Cc1ccc(Cn2c(=O)c3ccccc3n3c(=O)n(Cc4ccccc4Cl)nc23)cc1 64860695 MCDDYPWBPFZSRK-UHFFFAOYSA-N 430.895 3.869 0 40 IHAB O=C(O)[C@@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1ccc(Cl)cc1Cl 71980568 BZIUWIUSOQMVBS-IBGZPJMESA-N 449.334 3.911 0 40 IHAB O=C(NCCc1nc(C2CCCCC2)cs1)c1ccc(=O)n(-c2ccc(F)cc2)n1 72275262 DBWSMZJVYFGRQK-UHFFFAOYSA-N 426.517 3.848 0 40 IHAB CC(=O)N1CCCCC[C@@H]1Cc1c(C(=O)NCc2noc(C)n2)sc2ccccc12 72370792 QWRBYLMINGJIIW-MRXNPFEDSA-N 426.542 3.856 0 40 IHAB N[C@H](Cc1ccc(F)cc1)C(=O)NCC1CCC(c2ccnc(Nc3ccccn3)n2)CC1 72380006 BBVQRJGUBKOXEV-GZNCHQMQSA-N 448.546 3.714 0 40 IHAB Cc1cc(=O)c(C(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)nn1-c1ccccc1C(F)(F)F 84072129 UXYSPZDCFUFBNW-WBVHZDCISA-N 431.389 3.985 0 40 IHAB COc1ccc(-c2cc(N3CCN(C(=O)Cc4c(F)cccc4Cl)CC3)[nH]n2)cc1 98212558 INRWSAHEUNGPPQ-UHFFFAOYSA-N 428.895 3.769 0 40 IHAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1CN(C(=O)c1ccccc1)c1ccc(Cl)cc1 100394697 ZFMMPPBIGVCAFH-HJEMKOJISA-N 432.907 3.997 0 40 IHAB CCCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)ccc12 100764998 YXDXKAPCDRCRNK-YESZJQIVSA-N 429.513 3.910 0 40 IHAB CC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1 139079928 VNEJEINUHPNCKB-CQSZACIVSA-N 449.290 3.731 0 40 IHAB CCOc1ccc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)cc1 216367593 NCDQGLSNYKRBQN-QGZVFWFLSA-N 448.560 3.644 0 40 IHAB CC[C@@H](C(=O)NCCCc1ccccc1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O 222509851 KWHAOLDJICBEAB-IBGZPJMESA-N 426.941 3.773 0 40 IHAB CC[C@@H](C(=O)NCCOc1cc(C)cc(C)c1)N(c1cccc(Cl)c1)S(C)(=O)=O 224086681 ICKGLZMMMYZCOM-FQEVSTJZSA-N 438.977 3.697 0 40 IHAB CCc1ccc(OCCNC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2C)cc1 224101278 CQSVEVSZRBVZON-UHFFFAOYSA-N 444.597 3.931 0 40 IHAB CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCCOc1ccc(OC)cc1 224619788 SEWGWOHELGRWEF-QHCPKHFHSA-N 426.557 3.840 0 40 IHAB CCc1ccc(OCCNS(=O)(=O)c2ccc(SC)c(NC(=O)C(C)C)c2)cc1 225166607 FFTXZPQKHFGYAR-UHFFFAOYSA-N 436.599 3.923 0 40 IHAB Cc1ccc(CN(CC(=O)Nc2ccc(Br)c(Cl)c2)S(C)(=O)=O)cc1 225868860 UETUPGJWSYKBRO-UHFFFAOYSA-N 445.766 3.811 0 40 IHAB C[C@]1(C(=O)Nc2ccc(OC3CSC3)cc2)CCCN(Cc2ccccc2)S1(=O)=O 225952683 BSPZURUMEMXMAP-JOCHJYFZSA-N 446.594 3.504 0 40 IHAB Cc1cccc(CN2CC[C@@H](c3nc(C)c(CC(=O)NCc4ccc(F)cc4)c(C)n3)C2)n1 257211038 BXHHTKRJXPTJEL-OAQYLSRUSA-N 447.558 3.784 0 40 IHAB C[C@@]1(C2CCN(Cc3ccccc3OCC(=O)O)CC2)CN(c2ccc(F)cc2)C(=O)O1 257240709 HUTUCCMCAGSDMH-DEOSSOPVSA-N 442.487 3.917 0 40 IHAB CN(C(=O)c1c[nH]nc1[C@H]1CCCN1C(=O)CCc1nc2ccccc2[nH]1)c1ccccc1 257312603 UOTFPRGSIOZRFC-OAQYLSRUSA-N 442.523 3.859 0 40 IHAB COc1cc(C)c([C@@H](C)NC(=O)CN(c2ccccc2OC)S(C)(=O)=O)cc1C(C)C 260941186 RIKYPFQEPCRIMB-QGZVFWFLSA-N 448.585 3.779 0 40 IHAB CCCCN1C(=O)S/C(=C\c2cn(CC(=O)NC[C@H]3CCCO3)c3ccccc23)C1=O 409146919 UHXCGSAGERYNLD-SYERDGIWSA-N 441.553 3.773 0 40 IHAB CCc1ccccc1NC(=O)CSc1nnc(CNC(=O)c2ccccc2Cl)n1C 409338421 JOKYXWMDUUHCHM-UHFFFAOYSA-N 443.960 3.692 0 40 IHAB CN(C)C(=O)C[C@@H]1CN(C(=O)CCCc2ccc3c(c2)CC(=O)N3)c2ccc(Cl)cc21 525756232 ZDWXLLSJGWYCAV-QGZVFWFLSA-N 439.943 3.766 0 40 IHAB COCCOc1cc(CN2CCC[C@@](O)(COc3ccccc3F)CC2)ccc1OC 585269994 AESWWJSSUMPXSV-DEOSSOPVSA-N 433.520 3.656 0 40 IHAB Cc1cccc(Nc2cc(C[C@@H]3CCCN(C(=O)/C=C/c4c(C)nn(C)c4C)C3)ncn2)n1 585291265 ANIDAKDBCNKOOY-CFGKVWFZSA-N 445.571 3.768 0 40 IHAB Cc1nc(S(=O)(=O)N(C)[C@H](c2ccccc2)c2ccccc2Br)cn1C 1665316257 LZXILXDGNGSVAS-LJQANCHMSA-N 434.359 3.901 0 40 IHAB Cc1ccc(N2C[C@@H](C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)CC2=O)cc1 692023 QXWGYYODXUVZSU-KRWDZBQOSA-N 431.458 3.716 0 40 IHAB CCOc1cc(NC(=O)c2cnccn2)c(OCC)cc1NC(=O)c1ccc(OC)cc1 881465 KAYKMHOMISDWGU-UHFFFAOYSA-N 436.468 3.787 0 40 IHAB CCOc1ccccc1N1C(=O)NC(=O)/C(=C(/C)NCc2ccccc2C(F)(F)F)C1=O 1407502 BKVDYUXMBAMNLO-QGOAFFKASA-N 447.413 3.751 0 40 IHAB COC(=O)c1c(NC(=O)COc2ccc(Cl)c(C)c2)sc2c1[C@@H](C(=O)OC)CC2 1744149 XCQDWVDGZYWDLH-LBPRGKRZSA-N 437.901 3.717 0 40 IHAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)CSc2ncnc3sc(C)c(C)c23)c1 2889056 ASUKCJAZCKNUQQ-UHFFFAOYSA-N 445.522 3.612 0 40 IHAB CC(=O)Nc1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(Br)cc2)cc1 3024316 YKYDFNOAHBWKOF-UHFFFAOYSA-N 447.285 3.552 0 40 IHAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)C[C@H](C)O1 3182716 SQTZMEJTBPEGQV-KBPBESRZSA-N 442.459 3.756 0 40 IHAB C[C@@H](CCc1ccccc1)NC(=O)COC(=O)c1ccc(I)cc1 3265279 MTWIJXGLVBJNSD-AWEZNQCLSA-N 437.277 3.586 0 40 IHAB COc1ccc(C(=O)O)cc1S(=O)(=O)N(CCc1ccccc1)Cc1ccccc1 3269701 HSQBDHJDOYWBQV-UHFFFAOYSA-N 425.506 3.827 0 40 IHAB COc1ccccc1OCCC(=O)OCC(=O)Nc1ncc(C(F)(F)F)cc1Cl 3285697 PITSAAXLTFLSKB-UHFFFAOYSA-N 432.782 3.713 0 40 IHAB COc1ccc(C)cc1NC(=O)[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(C)C 3334274 CJBGKGCPBIUZNH-SFHVURJKSA-N 444.475 3.964 0 40 IHAB CCCOc1ccc(N2C(=O)C[C@@H](N3CCC(c4nc5ccccc5[nH]4)CC3)C2=O)cc1 5919129 KXGOGENTWLGAIM-JOCHJYFZSA-N 432.524 3.863 0 40 IHAB CCCCc1nc2ccccc2n1CC(=O)OCC(=O)Nc1ccc(OC)c(OC)c1 6313689 BCPOBPMFFJZYOI-UHFFFAOYSA-N 425.485 3.578 0 40 IHAB O=C(N[C@H]1CCN2C(=O)c3cc(-c4ccsc4)ccc3NC(=O)[C@H]12)c1cccc(F)c1 8296756 WDTKAFAINFNFSB-PMACEKPBSA-N 435.480 3.519 0 40 IHAB biogenic,in-vitro COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCOc3ccccc3)cc2)cc1 9120488 ANENMXIZUGJUSQ-UHFFFAOYSA-N 426.494 3.904 0 40 IHAB CCn1cc2nc(SCC(=O)Nc3ccccc3F)n(Cc3ccccc3)c(=O)c2n1 9300032 XTZYLKSTZHLLOW-UHFFFAOYSA-N 437.500 3.531 0 40 IHAB COc1ccc(NC(=O)c2ccccc2NC(=O)CS(=O)(=O)Cc2ccccc2)cc1 9426421 UXWXVQNAYCVUFW-UHFFFAOYSA-N 438.505 3.501 0 40 IHAB O=C(NCCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2)c1ccccc1Cl 9512191 LJXFEBVWMCOVPY-IBGZPJMESA-N 428.916 3.985 0 40 IHAB Cc1ccc2nc(-c3ccc(N4C(=O)C[C@@H](N5CCC(C(=O)O)CC5)C4=O)cc3)sc2c1 9562296 SCLOSRAVTIJKJR-LJQANCHMSA-N 449.532 3.700 0 40 IHAB Cc1cc(C)nc(SCc2cc(=O)c(OC(=O)/C=C/c3ccc4c(c3)OCO4)co2)n1 9829276 SQMRHQUBKQVADU-GQCTYLIASA-N 438.461 3.686 0 40 IHAB CCN(CC)C(=O)c1ccccc1NC(=O)[C@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O 10369956 JLFUFUKVURSKFW-SFHVURJKSA-N 445.585 3.579 0 40 IHAB COc1ccc(S(=O)(=O)CCC(=O)N2CCC[C@H](c3cc4ccccc4cn3)C2)cc1 12188241 TUYPCHUFMHEQMP-FQEVSTJZSA-N 438.549 3.813 0 40 IHAB O=C(Cn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O)Nc1cccc(C(F)(F)F)c1 12237699 KMQJCPLSHGAHNJ-UHFFFAOYSA-N 447.804 3.893 0 40 IHAB COc1ccc(CCC(=O)Nc2sc(SCC(N)=O)nc2-c2ccccc2)cc1 12442895 HGTKNZUKAHELAY-UHFFFAOYSA-N 427.551 3.967 0 40 IHAB COc1cc(C(=O)N[C@H](c2ccccc2F)c2nccn2C)cc(OC)c1Br 12507427 CELMUBGJJLGOAK-GOSISDBHSA-N 448.292 3.858 0 40 IHAB Cc1cc(NC(=O)CN(C)c2nc(CN3CCC(C)CC3)nc3sc(C)c(C)c23)no1 12580593 QQMZOLUDWGQIQL-UHFFFAOYSA-N 442.589 3.911 0 40 IHAB COc1cc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)cc(I)c1O 12608714 QJZZIIGECCIQMI-QGZVFWFLSA-N 436.249 3.734 0 40 IHAB CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)N[C@H]2CCSc3ccccc32)cc1 12678471 NXUCDMKCKFKKPC-FQEVSTJZSA-N 446.594 3.643 0 40 IHAB O=C(c1cccs1)N1CCN(CC(=O)N2c3ccccc3OC[C@@H]2c2ccccc2)CC1 12745532 DTVPFOOILKOOIM-OAQYLSRUSA-N 447.560 3.673 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(C(=O)OCc2cc(-c3cccs3)on2)ccc1F 12797774 NCTIWTFUZBEORD-UHFFFAOYSA-N 438.502 3.930 0 40 IHAB C[C@@H]1CC[C@H](c2cccn2C)N(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)CC1 12803730 VQBACKJNZSQYMZ-FOIQADDNSA-N 437.993 3.932 0 40 IHAB CC[C@H](C)c1ccc([C@@H](NC(=O)C2CCN(c3ccc4nnnn4n3)CC2)C(C)C)cc1 12849972 SNUDUYDCVXPRNM-SBUREZEXSA-N 435.576 3.763 0 40 IHAB CC[C@H](C)[C@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1)C(=O)O 12891059 LBFDNUQRUTVLLN-UZQPLGKSSA-N 426.513 3.860 0 40 IHAB biogenic O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1nc2ccc(F)cc2s1 13129616 JNBJTNRCOTWTEP-UHFFFAOYSA-N 433.530 3.791 0 40 IHAB Fc1ccccc1N1CCN([C@@H](c2ccccc2)c2nnnn2Cc2ccccc2)CC1 13504580 FJIDLPUZPWPXEF-DEOSSOPVSA-N 428.515 3.772 0 40 IHAB CCOc1ccccc1NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCCCC2)c1 13581610 ZOWFWLILCWFHNG-UHFFFAOYSA-N 432.542 3.911 0 40 IHAB COCc1nn2c3c(nnc2c1-c1ccccc1)C(=O)C[C@@H](c1ccc(OC)cc1OC)C3 13639379 BDPVPQIYNZLTAX-INIZCTEOSA-N 444.491 3.868 0 40 IHAB O=C(c1ccc(-c2ccccc2)cc1)N1CCc2cc(S(=O)(=O)N3CCOCC3)ccc21 15716713 XKLOZOMKRZCKHC-UHFFFAOYSA-N 448.544 3.577 0 40 IHAB O=C(CSc1nc(O)cc(=O)n1-c1ccccc1)Nc1ccc2c3c(cccc13)CC2 15990057 XZTXMJVEJICLMC-UHFFFAOYSA-N 429.501 3.921 0 40 IHAB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CN(CC)CC(=O)NC(C)C 16563289 ZEYMTXFWWPOAHC-UHFFFAOYSA-N 449.548 3.516 0 40 IHAB CCn1c(SCC(=O)Nc2ccc(NC(C)=O)cc2)nnc1-c1ccc(OC)cc1 16789022 UTTQEPZMPHTQNB-UHFFFAOYSA-N 425.514 3.663 0 40 IHAB COc1ccccc1-c1cc2c(=O)n(Cc3nc(-c4ccccc4Cl)no3)ccn2n1 16842007 LJOCQLYPTZPMNV-UHFFFAOYSA-N 433.855 3.923 0 40 IHAB COc1cc(C(=O)NCc2c(-c3ccccc3)nc3n2CCS3)cc(OC)c1OC 16943427 ACFVEYGXCPLSFQ-UHFFFAOYSA-N 425.510 3.612 0 40 IHAB COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cc(C)ccc2C)cc(OC)c1OC 16956960 BXAARKZTYAVRJH-FQEVSTJZSA-N 425.485 3.596 0 40 IHAB COc1ccc(CCC2CCN([C@@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)c(OC)c1 18220125 VJLSWUXIGOGTKL-JOCHJYFZSA-N 440.515 3.820 0 40 IHAB C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)OCc2cc(-c3ccco3)on2)cc1 19190814 HWCUARGHRPAJDP-OAHLLOKOSA-N 430.482 3.855 0 40 IHAB Cc1cc(OCC(=O)N2CCO[C@H](c3nc(-c4ccccc4C)no3)C2)ccc1Cl 19237496 RLXREGUDRQLOHI-IBGZPJMESA-N 427.888 3.986 0 40 IHAB COc1ccc(C(=O)NCCn2ncc(-c3ccc(F)cc3)c2-c2nccn2C)c(OC)c1 19291780 JQELQYATQYWWDT-UHFFFAOYSA-N 449.486 3.537 0 40 IHAB CCC(CC)C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)C1CCCCC1)CC2 19500195 ZYQQFNIJMJWQTE-NRFANRHFSA-N 442.604 3.725 0 40 IHAB CCN1CCN(Cc2c(C)nn(C)c2OC)C[C@H](Cc2ccccc2-c2ccccc2)C1=O 19527663 OFDMJKDYNXTSQZ-QHCPKHFHSA-N 446.595 3.927 0 40 IHAB O=C(c1cc2ccc(F)cc2[nH]1)N1CC[C@@H](c2ccc3c(NC4CCOCC4)n[nH]c3n2)C1 19705158 OBPVXJWIDIHJSD-OAHLLOKOSA-N 448.502 3.799 0 40 IHAB COc1ccc(CN2C(=O)Cc3c(C)nc([C@H]4CCCN(C(=O)C(C)(C)C)C4)nc32)cc1 19744438 RNVZDKSJTTWJOJ-SFHVURJKSA-N 436.556 3.635 0 40 IHAB CC(=O)N1CCC[C@@H]1c1nc(CN(C)Cc2cccc(OC(C)C)c2)cc(N(C)C)n1 19760262 ZRJMGCNRMRLWGH-JOCHJYFZSA-N 425.577 3.645 0 40 IHAB Cc1ccc2oc(C(=O)N3CC[C@@H](c4cc(C(=O)NCCO)c5ccccc5n4)C3)cc2c1 19761456 BZWJINCYOLFEQR-QGZVFWFLSA-N 443.503 3.641 0 40 IHAB COc1ccc(NC(=O)c2cnc([C@H]3CCN(C(=O)CCc4ccccc4)C3)nc2C)cc1 19766071 ZDABXHYRNUXSKS-FQEVSTJZSA-N 444.535 3.995 0 40 IHAB CCOC(=O)[C@@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@H]1c1c[nH]c2ccccc12 19818573 XFKCUYFCTOASHV-VXKWHMMOSA-N 446.507 3.669 0 40 IHAB COc1ccc([C@H](CC(=O)NC2CCCCC2)N(C)S(=O)(=O)c2ccccc2)cc1 19935785 QGLLMFXKGQUWLN-QFIPXVFZSA-N 430.570 3.896 0 40 IHAB O=C(COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)Nc1ccc(F)c(F)c1 20018982 HZKLDCYYMXLAEV-UHFFFAOYSA-N 446.475 3.503 0 40 IHAB CCOc1ccc(CCC(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)cc1OCC 20042632 RJMVKGLWOURAGY-UHFFFAOYSA-N 431.485 3.859 0 40 IHAB O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)OCC(=O)c1ccc(Br)s1 20820238 GOPDIKFNZBTJND-UHFFFAOYSA-N 440.359 3.569 0 40 IHAB O=C(Cn1nc(C2CC2)c2cnn(-c3cccc(Cl)c3)c2c1=O)N1CCc2ccccc21 22767938 OQSCGRLRAQAPEG-UHFFFAOYSA-N 445.910 3.702 0 40 IHAB CCOc1cccc2cc(C(=O)Nc3nnc(-c4cccc(S(C)(=O)=O)c4)o3)oc12 22906491 BNJHIVBEEHYKGN-UHFFFAOYSA-N 427.438 3.537 0 40 IHAB CC(C)(C)c1cc(NC(=O)CSc2ccccc2Cl)n([C@@H]2CCS(=O)(=O)C2)n1 25160166 OFYCBCRZVHHKTG-CYBMUJFWSA-N 442.006 3.924 0 40 IHAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N(C)Cc2ccc(C(=O)NCC(F)(F)F)cc2)c1C 26154614 HHJLIYXEUZIWQI-CQSZACIVSA-N 437.462 3.829 0 40 IHAB CCOC(=O)c1sc2cccc(F)c2c1COC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 26461404 YYJCWEBBJSXGDC-XCLFUZPHSA-N 437.514 3.714 0 40 IHAB C[C@H](NC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)c1ccc(Cl)c(Cl)c1 28743200 ZYRKFDMLOIIITH-JTQLQIEISA-N 437.295 3.817 0 40 IHAB O=C(Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)c1cc(Cl)c[nH]1 29408248 CCOYBFKIQWNBTR-UHFFFAOYSA-N 447.900 3.883 0 40 IHAB CC(=O)N1CCN(C[C@@H]2C=C(C)[C@H](Cc3nnc(-c4cccnc4)o3)C[C@H]2C(C)C)CC1 30882875 VHTIRHSNKMDBHN-VABKMULXSA-N 437.588 3.693 0 40 IHAB biogenic,in-vitro CC1(C)CC(NC(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)CC(C)(C)N1 30898121 ICBKQYWGKWDLCJ-JOCHJYFZSA-N 437.584 3.950 0 40 IHAB COc1ccc2[nH]cc([C@@H](C(=O)O)N3CCN(c4cc(C)c5ccccc5n4)CC3)c2c1 31808283 BRSJYZIMEDSRGM-DEOSSOPVSA-N 430.508 3.981 0 40 IHAB CC[C@H](C)[C@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)NCc1ccccn1 31818038 QXRIMOQDJPEFPI-KKSFZXQISA-N 447.564 3.943 0 40 IHAB COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(C(=O)OC)cc2)C12CCCC2 32089005 OBHMERAPPBBRFY-NRFANRHFSA-N 436.508 3.611 0 40 IHAB CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CCn1cnc2ccccc2c1=O 32495830 FWRXOOUBKIMKGC-UHFFFAOYSA-N 447.322 3.581 0 40 IHAB CCn1c(CC(=O)Nc2ccc(F)cc2)nnc1SCC(=O)Nc1ccc(C)cc1F 32579590 HAEISWRFRPAFIC-UHFFFAOYSA-N 445.495 3.797 0 40 IHAB CN(C(=O)CN1CCN(C(=O)c2ccc(Cl)cc2)CC1)[C@@H]1CCCc2ccccc21 32754417 OZFWRUPRMPUXBR-JOCHJYFZSA-N 425.960 3.634 0 40 IHAB COc1ccc(-n2c(SCC(=O)Nc3nc(C)cs3)nnc2-c2ccccn2)cc1 35289310 XJINPCWIXCZBLJ-UHFFFAOYSA-N 438.538 3.834 0 40 IHAB COc1ccc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1F 38594611 HNYBXWJCQXGUCL-UHFFFAOYSA-N 440.540 3.930 0 40 IHAB CS(=O)(=O)Nc1ccsc1C(=O)O[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 40138921 YAOXKGCRKHPJKQ-QGZVFWFLSA-N 448.497 3.796 0 40 IHAB COc1ccc(CNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c(OC)c1OC 44903605 SMYJOGBTGXQQQR-UHFFFAOYSA-N 429.494 3.983 0 40 IHAB O=C(CNC(=O)c1ccc(Br)o1)NCc1ccc(COc2ccccc2)cc1 46759564 ZPHCEGSHENLJAU-UHFFFAOYSA-N 443.297 3.667 0 40 IHAB COc1ccc(OC)c(CNC(=O)c2nnn(-c3ccc(F)c(C)c3)c2-c2cccnc2)c1 49003691 JLMDUUJVTUYECS-UHFFFAOYSA-N 447.470 3.724 0 40 IHAB CCc1cccc(C)c1NC(=O)Cn1c(=O)cnc2cc(C(=O)NC3CCCC3)ccc21 49008039 AVLHCXHMJGAEGU-UHFFFAOYSA-N 432.524 3.578 0 40 IHAB Cc1cccc(N2CCN(C[C@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@@H](O)[C@H]34)C[C@@H]2C)c1 49662054 XZCQJZYHYNIVDU-RTFTXLQBSA-N 438.612 3.791 0 40 IHAB Cc1ccc(C)c(-c2cc3c(=O)n(CC(=O)Nc4ccc(Cl)cc4F)ncn3n2)c1 51317064 XBROOWCMTQLBHG-UHFFFAOYSA-N 425.851 3.606 0 40 IHAB C[C@@H]1C[C@@H](C(F)(F)F)n2nc(C(=O)OCC(=O)c3ccc(Br)cc3)cc2N1 51353939 BGNRPFRTLBYQIS-OTYXRUKQSA-N 446.223 3.993 0 40 IHAB Cc1ccc(Cn2c(=O)c3sccc3n(CC(=O)N(C)c3ccccc3)c2=O)cc1C 57427008 FBYZFQFIKRVXBM-UHFFFAOYSA-N 433.533 3.553 0 40 IHAB CCOc1ccc(NC(=O)Cn2c(=O)n(CCc3cccs3)c(=O)c3ccccc32)cc1 57473178 RMTBOUOPVBBTBP-UHFFFAOYSA-N 449.532 3.505 0 40 IHAB CC(=O)Nc1ccc2c(COC(=O)CCCc3nc(-c4ccccc4)no3)cc(=O)oc2c1 57703990 YYEZHRVXSWHTRN-UHFFFAOYSA-N 447.447 3.868 0 40 IHAB Cn1cnc(-c2ccccc2)c1NC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 58157698 RHCZLBMIMSTQMU-OAHLLOKOSA-N 439.313 3.841 0 40 IHAB CS(=O)(=O)Cc1cccc(C(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)c1 58201503 DFMLRQIDCMCRFX-UHFFFAOYSA-N 439.489 3.791 0 40 IHAB CCN1CCc2nc(-c3ccc(F)cc3)n(CC(=O)Nc3ccc4c(c3)CCC4)c(=O)c2C1 62007154 LHLVRGQXYUMWNW-UHFFFAOYSA-N 446.526 3.555 0 40 IHAB O=C(CSc1nncn1-c1cccc(Cl)c1)NC1CCN(CC2CCCC2)CC1 63272577 ODLWQQPJHDFCPU-UHFFFAOYSA-N 434.009 3.784 0 40 IHAB CCc1cccc(NC(=O)Cn2cc(-c3ccccc3)c3ncn(CCOC)c(=O)c32)c1 65113587 ASRLJLKXJBWITD-UHFFFAOYSA-N 430.508 3.713 0 40 IHAB CCC(CC)C(=O)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccccc2OC)cc1 67896672 AUVZJIJJHCAXIF-ZJSXRUAMSA-N 440.540 3.531 0 40 IHAB biogenic,in-vitro Cc1ccc(Cn2nc(C)c(/C=C/C(=O)N3CCN(C[C@H]4CCCO4)CC3)c2Cl)cc1 69291914 FOOKOKOSCFVGFU-LCCNJJIFSA-N 442.991 3.538 0 40 IHAB CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCc1ccnc(N2CCCC2)c1 71794783 WAZOWAFFAKBNNZ-GKWUYRECSA-N 438.616 3.655 0 40 IHAB c1ccc([C@H](CNc2ncc(-c3cnccn3)c(-c3ccco3)n2)N2CCOCC2)cc1 72338711 NUIJQJZDXISNCM-NRFANRHFSA-N 428.496 3.679 0 40 IHAB Cn1ccnc1[C@@H](O)c1cccc(F)c1N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 72340560 DZEWIIWNIVJNBL-NRFANRHFSA-N 448.464 3.982 0 40 IHAB Cc1ccc([C@H](CNc2cc(Cn3ncc4ccccc4c3=O)nc(C)n2)N(C)C)cc1 72373243 QJKJXXWUYLPTPL-QHCPKHFHSA-N 428.540 3.566 0 40 IHAB COc1ccccc1CN1CCCc2c(C)nc([C@H]3CCCN3C(=O)c3cnccn3)nc21 72373773 AYGRVBGOQSSATB-OAQYLSRUSA-N 444.539 3.514 0 40 IHAB CCOC(=O)[C@]1(Cc2cc(-c3ccc(F)cc3)no2)CCCN(C(=O)c2ccncc2)C1 72394106 LMJGMUPJKPVOBX-DEOSSOPVSA-N 437.471 3.904 0 40 IHAB O=C(c1ccc(OC(F)(F)F)cc1)N1CC[C@@H](S(=O)(=O)c2ccc(Cl)cc2)C1 96370686 UOHBJKPBLZYDBO-MRXNPFEDSA-N 433.835 3.927 0 40 IHAB O=C(C1=NN(c2ccccc2)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12)c1ccccc1 100486759 NXTDRLQETVSXKY-PZJWPPBQSA-N 429.863 3.957 0 40 IHAB COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccc(OC)cc2)cc1 100830239 FBYKKEJUYQCEDB-ZRBLBEILSA-N 448.450 3.894 0 40 IHAB COc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccc(OC)cc2)cc1 100840678 YXULWJUBTNSZEX-VJBWXMMDSA-N 430.460 3.755 0 40 IHAB O=S(=O)(N[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1)c1ccc2c(c1)CCCC2 206791228 NTZFAOWAJFYIEJ-QGZVFWFLSA-N 425.476 3.536 0 40 IHAB CCOc1ccc(CCCNC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)cc1 219969208 QGVTUGITBCUYEU-UHFFFAOYSA-N 444.597 3.764 0 40 IHAB CC[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)N(c1cccc(OC)c1)S(C)(=O)=O 220612813 AQROHLDNAMPMKT-KRWDZBQOSA-N 430.448 3.897 0 40 IHAB CCOc1ccccc1CNC(=O)[C@H](CC)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O 222511166 AOIAHLLHRKWJBO-SFHVURJKSA-N 442.940 3.739 0 40 IHAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1F 222555030 JHFYNJAKCYTBPE-DYESRHJHSA-N 430.520 3.935 0 40 IHAB COc1cccc(N(CCCC(=O)Nc2ccc(OC)c(Cl)c2)S(C)(=O)=O)c1 222590335 DXSLGTRBNAEHQX-UHFFFAOYSA-N 426.922 3.542 0 40 IHAB CS(=O)(=O)N(CCCC(=O)N1CCc2ccccc21)c1cccc(C(F)(F)F)c1 222626268 OTNFHFGQOFUVEU-UHFFFAOYSA-N 426.460 3.841 0 40 IHAB COc1ccc(C(C)C)cc1S(=O)(=O)NCCSc1nc(-c2ccccc2)n[nH]1 223012570 SSNGSPOKEORHFI-UHFFFAOYSA-N 432.571 3.674 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCCN3CCCCC3)cc2C)cc1 224210913 SMYGZBJCECIEQV-UHFFFAOYSA-N 443.613 3.734 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)N[C@@H](C)c1ccc(C)cc1 224216159 XEZDCRPBNOIIQP-SFHVURJKSA-N 430.570 3.598 0 40 IHAB CC[C@H](NS(=O)(=O)c1ccc(OC)c(N2CCCC2=O)c1)c1ccc(OC)c(C)c1 224404317 PNOGWXKVVSHOAG-SFHVURJKSA-N 432.542 3.569 0 40 IHAB COc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3F)cc2)c1 224574117 GUPQZJDLAGLJSK-UHFFFAOYSA-N 430.457 3.653 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(Br)c(Cl)c2)cc1 224601941 HTCWVCZGWOVRKI-UHFFFAOYSA-N 448.722 3.781 0 40 IHAB CCc1ccc(N([C@@H](C)C(=O)Nc2nnc(-c3ccccc3)s2)S(C)(=O)=O)cc1 224976010 HGGLNFZNMKUSCH-AWEZNQCLSA-N 430.555 3.561 0 40 IHAB Cc1cccnc1CN1CCC[C@@H]1c1cc2nc(C)c(CCC(=O)N3CCCC3)c(C)n2n1 257278699 ODGVQBOBYDFWNY-XMMPIXPASA-N 446.599 3.942 0 40 IHAB CN1CCN(c2cc(C(=O)N3CCC[C@@H](Cc4ccc5ncccc5c4)CC3)ccn2)CC1 257283996 PAUOAQQUORHLEB-OAQYLSRUSA-N 443.595 3.867 0 40 IHAB CC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1Cl 408560849 FHFVUSHAOXFMJT-OAHLLOKOSA-N 436.961 3.775 0 40 IHAB COc1ccccc1NC(=O)CCC(=O)OCC(=O)Nc1ccc(Cl)c(Cl)c1 408660645 BOCRCCJDDZRZOH-UHFFFAOYSA-N 425.268 3.903 0 40 IHAB COC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)c1C 408701956 ICODIELQRSSFBA-UHFFFAOYSA-N 430.526 3.517 0 40 IHAB COc1ccc([C@H]2[C@@H](NC(=O)c3ccc(C)cc3)C(=O)N/[N+]2=C\c2ccc(Cl)cc2)cc1 409057316 JRGROZKRZOXDKF-WSBKAMHLSA-O 448.930 3.673 0 40 IHAB CC(=O)Nc1ccc(NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)cc1 409128783 UHMSWLQHSNRWBP-UHFFFAOYSA-N 437.521 3.787 0 40 IHAB CC[C@H](c1nnc(SCc2csc(NC(C)=O)n2)n1-c1ccc(OC)cc1)N(C)C 501709451 MNSADHWSAUCZNH-QGZVFWFLSA-N 446.602 3.996 0 40 IHAB O=C(N[C@H](c1ccc(F)cc1)C1CCC1)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 511458941 DXTCDYIGUDVBHA-OFNKIYASSA-N 425.504 3.646 0 40 IHAB CN(C(=O)Nc1cnn(-c2cnc3ccccc3n2)c1)C1CCN(Cc2ccccc2)CC1 575998221 NGBCHVYOVZKQHS-UHFFFAOYSA-N 441.539 3.944 0 40 IHAB CC(=O)N1CCCN(C(C)C)CCN(C(=O)Cc2csc(C)n2)Cc2ccc(F)cc21 643556116 IZTCMDYUIRDSAT-UHFFFAOYSA-N 446.592 3.629 0 40 IHAB COc1cccc(N2CCN(C(=O)[C@H]3CCn4c(C(=O)c5ccccc5)ccc43)CC2)c1 1889070757 BZBJDYZITUDNDR-QFIPXVFZSA-N 429.520 3.564 0 40 IHAB Cc1cc(C)c2cc(CN(CCN3CCOCC3)C(=O)Nc3ccccc3)c(=O)[nH]c2c1 880306 LRGMENBQHWKXAS-UHFFFAOYSA-N 434.540 3.511 0 40 IHAB COc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2cccc(C)c2C)cc(OC)c1OC 1295356 GUMBMIQMKLNXOO-FQEVSTJZSA-N 441.553 3.761 0 40 IHAB O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1C(=O)C(=O)N(c2ccc(Cl)cc2Cl)C1=O 1624664 ZTRQDADQTQQVSH-ZDUSSCGKSA-N 446.073 3.997 0 40 IHAB O=C(COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1)Nc1cc(F)ccc1F 3222040 YWPUWRQNNIMLBA-SFHVURJKSA-N 444.459 3.549 0 40 IHAB aggregator NC(=O)c1ccc(NC(=O)COC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 3269484 ZLGZJLJCWCYEFR-UHFFFAOYSA-N 425.444 3.796 0 40 IHAB O=C(CN1C(=O)N[C@@]2(CCc3ccccc3C2)C1=O)Nc1ccccc1Oc1ccccc1 3275368 RVPJVZKAEDEXPQ-AREMUKBSSA-N 441.487 3.897 0 40 IHAB O=C(NC(=S)N1CCc2ccccc21)c1ccc(NS(=O)(=O)c2cccs2)cc1 3306900 JAEMMMZTRKAYJG-UHFFFAOYSA-N 443.575 3.626 0 40 IHAB COC(=O)CCCCCNC(=O)C1[C@H](c2ccccc2)C(C(=O)OC)[C@H]1c1ccccc1 6878987 JNHLRGWIUHMBAL-WOLZVPSQSA-N 437.536 3.823 0 40 IHAB Cc1cc(F)ccc1S(=O)(=O)NC[C@@H](c1ccccc1)S(=O)(=O)c1cccs1 9106838 XSQCYCCDTYFOGK-SFHVURJKSA-N 439.555 3.689 0 40 IHAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 9200494 KRRAVAXTQJCHMD-UHFFFAOYSA-N 443.429 3.562 0 40 IHAB O=C(Cn1nnc(-c2ccccc2)n1)Nc1ccc(Br)cc1Br 9224032 KUIYJMPTONEAPY-UHFFFAOYSA-N 437.095 3.504 0 40 IHAB CCOC(=O)c1c(NC(=O)CSc2nnc(-c3cccnc3)n2C)sc(C)c1CC 9254561 QRJDGTYCYLDRSS-UHFFFAOYSA-N 445.570 3.717 0 40 IHAB COc1ccc(NC(=O)CCCOc2ccc(C)cc2)cc1S(=O)(=O)N1CCCCC1 9508399 ULCKFISSEYKGFQ-UHFFFAOYSA-N 446.569 3.976 0 40 IHAB C[C@H](OC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)C(=O)Nc1ccc(Cl)cn1 9587921 NPBAJMPBXCYVKC-AWEZNQCLSA-N 448.866 3.618 0 40 IHAB CCn1c(CNC(=O)c2ccccc2C)nnc1SCC(=O)N[C@H](C)c1ccccc1 9601260 OYBFCNBKFBQHEP-QGZVFWFLSA-N 437.569 3.506 0 40 IHAB CCNC(=O)NC(=O)[C@@H](C)Sc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 9632216 ITLHXZRYVSHROT-CYBMUJFWSA-N 429.933 3.914 0 40 IHAB CCn1c(S[C@H](C)C(=O)Nc2sc3c(c2C(N)=O)CCC3)nnc1-c1ccoc1C 9665126 VDPJMKCONLPHHS-LLVKDONJSA-N 445.570 3.635 0 40 IHAB Cc1nc(Cc2nnc(SCc3nc4sc5c(c4c(=O)[nH]3)CCCC5)o2)cs1 9683307 GJXJSRSGIQJOGO-UHFFFAOYSA-N 431.568 3.894 0 40 IHAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O 9730307 LBYQPXQEXRNGHA-MYYSRTQBSA-N 448.548 3.599 0 40 IHAB CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O 10748477 ZVVCGFNPWQUFIO-WDGNKJTDSA-N 443.544 3.571 0 40 IHAB O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1nnc(Cc2ccc(Cl)s2)o1 11694691 XDUMKXCSFPANFD-UHFFFAOYSA-N 443.909 3.707 0 40 IHAB Cn1ccnc1[C@@H](NC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3)c1ccccc1 12507271 GJZYUAVSUCYYLN-QHCPKHFHSA-N 441.535 3.766 0 40 IHAB Cc1ccc(Br)cc1S(=O)(=O)Nc1ccc(Sc2nncn2C)cc1 12650245 DHDCPTVTHVZIKB-UHFFFAOYSA-N 439.360 3.838 0 40 IHAB O=C(Nc1ccc(-c2nccs2)cc1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 12679935 BHCMXZRCRNILFX-LJQANCHMSA-N 427.551 3.992 0 40 IHAB CN(CC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1)Cc1nc2ccccc2s1 12771723 DJCMQURYUVYQTP-UHFFFAOYSA-N 446.979 3.865 0 40 IHAB Cc1cc(F)ccc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 12776068 YNXFCNUJTRINAF-INIZCTEOSA-N 442.516 3.677 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CCOc1ccccc1 12778987 LAFOFNQWPKUZIC-UHFFFAOYSA-N 432.542 3.668 0 40 IHAB C[C@H](NC(=O)[C@H](C)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1)c1ccc(F)cc1 12782718 IUIGUKFIVQFEDY-IRXDYDNUSA-N 440.515 3.758 0 40 IHAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 12784367 XRZJHMLCEPKUSL-SFHVURJKSA-N 441.534 3.603 0 40 IHAB CC(C)[C@@H](NC(=O)CSc1nnc(NC2CC2)s1)c1ccc2c(c1)OCCCO2 12789342 APIJYOPABUXTDS-GOSISDBHSA-N 434.587 3.879 0 40 IHAB Cc1nn(CC(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)c(=O)c2ccccc12 12792943 MGWWFIIYPOCDSQ-UHFFFAOYSA-N 426.448 3.669 0 40 IHAB O=C(COc1ccc(F)cc1Cl)Nc1c(C(=O)N2CCOCC2)oc2ccccc12 12798438 HOTALMNAOIRZIF-UHFFFAOYSA-N 432.835 3.715 0 40 IHAB COc1ccc([C@H](CNC(=O)CCc2c(C)nc3c(c(C)nn3C)c2C)N2CCCC2)cc1 12820127 SYALNVZTWHTDFU-QHCPKHFHSA-N 449.599 3.788 0 40 IHAB COc1ccc2[nH]cc(CCNC(=O)COc3cc(C)cc4oc(=O)c5c(c34)CCC5)c2c1 12890530 KEBDCGSEFVBTEF-UHFFFAOYSA-N 446.503 3.818 0 40 IHAB biogenic CCOc1c(Cl)cc(/C=C/C(=O)N[C@H](CN2CCOCC2)c2ccccc2)cc1OC 12899685 AYCLBMWVKKYFLA-LCCNJJIFSA-N 444.959 3.950 0 40 IHAB CC(=O)NCCNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1Cl 12919425 QOPIVGZNVILUEL-UHFFFAOYSA-N 447.926 3.666 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1NC(C)=O 12994228 FXXVNUGVQNSHDR-QGZVFWFLSA-N 431.539 3.789 0 40 IHAB CCOc1cc(/C=C/C(=O)N(CC)CC(=O)NCc2cccs2)cc(Cl)c1OC 13012998 KOLALRQXBMUWMA-CMDGGOBGSA-N 436.961 3.987 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CSc2ccc(NC(=O)/C=C(/C)C(=O)O)cc2)cc1 13579264 PJEOQPIHDPRPMB-OWBHPGMISA-N 442.493 3.564 0 40 IHAB COc1ccc(C(=O)Nc2ccccc2C(=O)NCCc2ccc3c(c2)OCCO3)cc1 14114880 YFDQGWSLPLFREA-UHFFFAOYSA-N 432.476 3.691 0 40 IHAB O=C(CN1CCN(C(=O)c2c[nH]c3ccccc23)CC1)Nc1ccccc1C(F)(F)F 14196755 JCJOHLQCMGGIQS-UHFFFAOYSA-N 430.430 3.583 0 40 IHAB C[C@@H](SCc1nc(N)nc(Nc2ccc(F)cc2)n1)C(=O)Nc1ccc(F)c(F)c1 15496381 JJDYYKWTVOVYIN-SNVBAGLBSA-N 434.447 3.875 0 40 IHAB CCC(=O)c1ccc(OCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1 15738710 IEXNDPYOAIORAR-UHFFFAOYSA-N 444.553 3.780 0 40 IHAB COc1ccc(OC)c(S(=O)(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1 16097143 YGJZJFYTYWQHRE-INIZCTEOSA-N 440.521 3.996 0 40 IHAB Cc1cc(NC(=O)[C@@H](OC(=O)c2cc(Cl)c3c(c2)OCCO3)c2ccccc2)no1 16129156 HXHZGLXJNBHWDR-SFHVURJKSA-N 428.828 3.944 0 40 IHAB COc1ccc(Nc2ccc(NC(=O)CCNS(=O)(=O)c3ccccc3)cc2)cc1 17593019 ULYUWBIAXQTMLI-UHFFFAOYSA-N 425.510 3.746 0 40 IHAB COc1cc(C)ccc1OCC(=O)N1CCC[C@H]([C@@H]2C[C@H](C(F)F)n3nc(C)cc3N2)C1 19134215 QBUVHFLYSIPQGM-OKZBNKHCSA-N 448.514 3.817 0 40 IHAB Cc1ccc([C@@H](C)C(=O)N2CCC(O)(Cn3cnc4sc(C)c(C)c4c3=O)CC2)cc1 19135758 TVVOBKIBXGLJQT-QGZVFWFLSA-N 439.581 3.540 0 40 IHAB Cc1ccc(CC(=O)N2CCC[C@@H]2c2nn(C)cc2-c2ccnc(N3CCCC3)n2)cc1 19209527 PVUQZUXVAJVDCM-JOCHJYFZSA-N 430.556 3.692 0 40 IHAB COc1ccccc1CC(=O)N[C@H](c1cc(O)n2nc(-c3cccnc3)cc2n1)C(C)C 19445499 VVHACZTVACQVJU-DEOSSOPVSA-N 431.496 3.562 0 40 IHAB CCNC(=O)[C@@]1(Cc2cccc(-c3ccc(F)cc3)c2)CCN(C(=O)c2cccnc2N)C1 19529066 RLFWYQBVWSHCTI-AREMUKBSSA-N 446.526 3.681 0 40 IHAB Cc1sc2nc(C)n(C3CCN(C(=O)c4cc(C(C)(C)C)n[nH]4)CC3)c(=O)c2c1C 19561210 HLNSZTWNDKJUCV-UHFFFAOYSA-N 427.574 3.881 0 40 IHAB Cc1n[nH]cc1C(=O)N1CCC[C@@](Cc2ccccc2-c2ccccc2)(C(=O)N(C)C)C1 19582318 KHHKTSRAVHUOJI-SANMLTNESA-N 430.552 3.938 0 40 IHAB Cc1nc(CN(C)C(=O)Cc2ccc(F)cc2)nc2c1CCC(=O)N2CCc1ccccc1 19696141 BVYRZYHFMRHQMB-UHFFFAOYSA-N 446.526 3.647 0 40 IHAB CC[C@@H](c1ccc(F)cc1)N(C)C(=O)c1ccc(C2CCN(S(C)(=O)=O)CC2)nc1 19708143 OFAORHBSAYIVGZ-NRFANRHFSA-N 433.549 3.583 0 40 IHAB O=C(N[C@@H]1CCCc2ccccc21)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 20482445 CBDJJCDDVWVROQ-OAQYLSRUSA-N 432.973 3.935 0 40 IHAB O=C(CN(c1ccccc1F)S(=O)(=O)c1cccs1)N1CCc2ccccc2C1 22383854 YHLLODNGYIUAKW-UHFFFAOYSA-N 430.526 3.667 0 40 IHAB Cc1noc(C)c1COc1ccc(C(=O)NCc2ccccc2CN2CCOCC2)cc1 23873375 AAIJRLUZDYRONL-UHFFFAOYSA-N 435.524 3.633 0 40 IHAB CCOc1c(Cl)cc(/C=C/C(=O)NCc2ccccc2CN2CCOCC2)cc1OC 24379505 UWUICQGFNHYVLC-CMDGGOBGSA-N 444.959 3.909 0 40 IHAB COC(=O)c1ccc(S(=O)(=O)NCc2ccccc2-c2ccc(CN(C)C)cc2)cc1 24445425 YPGHTRFIAPXOES-UHFFFAOYSA-N 438.549 3.680 0 40 IHAB Cc1ccccc1[C@H](OC[C@H](O)Cn1c(CC(N)=O)nc2ccccc21)c1ccccc1 25265825 DQMGHLXEJCVLEK-FQRUVTKNSA-N 429.520 3.540 0 40 IHAB O=C(CSc1nnc(C2CCCCC2)n1-n1cccc1)Nc1ccccc1C(=O)O 27788826 PXXHVCYLOZUFAT-UHFFFAOYSA-N 425.514 3.868 0 40 IHAB CN1CCN(c2ccc(Cl)cc2NC(=O)CCc2nc(-c3ccccc3)no2)CC1 28006892 PQWOHSRMZNKBLZ-UHFFFAOYSA-N 425.920 3.713 0 40 IHAB CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 29268758 YQBHIFHXIOVIJV-JOCHJYFZSA-N 433.556 3.793 0 40 IHAB O=C(Cn1cnc2ccsc2c1=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1 31788300 YUVKELWPNSVZLT-UHFFFAOYSA-N 427.489 3.949 0 40 IHAB CN(CC(=O)N1CCSc2ccc(Cl)cc21)S(=O)(=O)c1ccc(Cl)cc1 32802009 IWECNYCSQYOYHE-UHFFFAOYSA-N 431.366 3.753 0 40 IHAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N(C)Cc3nc4ccsc4c(=O)[nH]3)c12 32893154 NSKHTWADCHIJTC-UHFFFAOYSA-N 444.520 3.514 0 40 IHAB Cc1nn(CC(C)C)c2sc(C(=O)O[C@H](C)C(=O)NC(=O)NC3CCCCC3)cc12 32945394 BXBYJVYFIMJFKZ-CQSZACIVSA-N 434.562 3.766 0 40 IHAB Cc1ccc2[nH]c3c(SCC(=O)N4CCN(c5ccccc5F)CC4)ncnc3c2c1 33172550 WBXDHHGKOSWYMB-UHFFFAOYSA-N 435.528 4.000 0 40 IHAB COc1cccc(-c2cc3c(N4CCC(C(=O)NCc5ccco5)CC4)nccn3n2)c1 33266712 WRNABGSLUHGVNM-UHFFFAOYSA-N 431.496 3.531 0 40 IHAB COc1cc(C(=O)Nc2cc3c(cc2C(=O)c2ccccc2)OCCO3)cc(OC)c1OC 35655358 IAYSIKJMBJKNKF-UHFFFAOYSA-N 449.459 3.967 0 40 IHAB CCOc1ccccc1NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1 38834325 JPXZOWOSWMRJLJ-HXUWFJFHSA-N 432.542 3.549 0 40 IHAB Cc1ccc(CN(C)C(=O)COc2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1 39534933 CVDBIJGJXLCJOJ-UHFFFAOYSA-N 438.549 3.858 0 40 IHAB CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)c2ccc3c(c2)C(=O)N(C)C3=O)CC1 40139130 OLXCVXBZQZDHIH-OAQYLSRUSA-N 448.519 3.502 0 40 IHAB Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)CCCc3nc(-c4ccccc4)no3)C2)nc1 40145924 KNFCHVNMQPUOIT-LJQANCHMSA-N 433.512 3.640 0 40 IHAB CC[C@H](C)[C@@H](C(=O)OCc1cn2cc(Cl)ccc2n1)N1C(=O)c2ccccc2C1=O 40159164 COZOTFGAPBDCNI-DJJJIMSYSA-N 425.872 3.742 0 40 IHAB Cc1cn2c(=O)cc(COc3cc(NC(=O)COc4ccccc4)ccc3C)nc2s1 41077357 QFGQXPVNCXTWKV-UHFFFAOYSA-N 435.505 3.969 0 40 IHAB CCOC(=O)c1cnn(-c2ccc(NC(=O)N3CCSCC3)cc2)c1C(F)(F)F 48354181 UZLAFYFNISEUCJ-UHFFFAOYSA-N 428.436 3.649 0 40 IHAB COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2cccnc2)[C@H](c2ccc(F)cc2)CN1C 57471627 XVVLECVLYLGIIY-UWUFEASWSA-N 431.467 3.605 0 40 IHAB COc1cc(CNC[C@@H](O)CN2CCCC2)cc(Br)c1OCc1ccccc1 60270349 CFHVNLUBCIXNND-LJQANCHMSA-N 449.389 3.583 0 40 IHAB O=C(Nc1ccc(F)c(F)c1)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 64985406 WUDNZZQBCSXTOD-FQEVSTJZSA-N 430.432 3.560 0 40 IHAB Cc1ccc(C)c([C@@H]2NC(=O)N(CC(=O)Nc3cc(Cl)ccc3C)C3=C2C(=O)OC3)c1 67288707 WCVXTMRFDCOENL-NRFANRHFSA-N 439.899 3.781 0 40 IHAB O=C(NCc1nnc2n1CCC2)c1ccc(Oc2ccc(Br)cc2)c(F)c1 71823359 DZIJCIHLGDKZTF-UHFFFAOYSA-N 431.265 3.848 0 40 IHAB Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N(C)[C@H](c1ccccc1)c1ccccn1 72272896 WDNHDTZRVHAQNP-HSZRJFAPSA-N 435.549 3.692 0 40 IHAB COc1ccc(CC(=O)N2CCC[C@H](c3nc(C)c4c(n3)N(CC3CC3)CCC4)C2)cc1 72380183 YVZMVELVOQBTKS-NRFANRHFSA-N 434.584 3.905 0 40 IHAB Cc1ccc(-c2cccc(C[C@]3(C(=O)N(C)C)CN(C(=O)c4cccnc4)CCO3)c2)cc1 72389150 JUNLYZYLSFTAEA-HHHXNRCGSA-N 443.547 3.599 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)Nc1ccccc1[S@](C)=O 78899480 PPRYZZXXSPCNCJ-DEXQXJORSA-N 434.583 3.548 0 40 IHAB Cc1ccc2c(CN3CCN(S(=O)(=O)c4ccccc4Cl)CC3)cc(=O)oc2c1C 89665833 GYMDZDCXRUIGHA-UHFFFAOYSA-N 446.956 3.570 0 40 IHAB Cc1nn(C(F)F)c(C)c1CC(=O)N[C@H](CC(=O)O)c1ccc(Br)cc1 95424435 OBWSIXCTWRJDRU-CQSZACIVSA-N 430.249 3.532 0 40 IHAB CC(C)c1noc(CCNC(=O)[C@@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)n1 95988880 VSDPUOHJGSPKHG-KUHUBIRLSA-N 436.915 3.642 0 40 IHAB Cn1nc(-c2ccccc2NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)ccc1=O 96025163 AYLPTFLIWNLUPC-UHFFFAOYSA-N 443.834 3.920 0 40 IHAB COc1ccc(S(=O)(=O)C2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 96121829 IXOJOOPUZNMMDZ-UHFFFAOYSA-N 427.444 3.793 0 40 IHAB CN(C)CCNC(=O)C[C@@H]1CC2(CCN(C(=O)c3ccc(F)cc3)CC2)c2ccccc21 96242215 LETDGWQRFAHJDD-HXUWFJFHSA-N 437.559 3.555 0 40 IHAB O=C(NCCN1C(=O)S/C(=C/c2cccnc2)C1=O)c1ccccc1SC(F)F 96815090 ITCXTYGJCHZYSJ-XNTDXEJSSA-N 435.477 3.863 0 40 IHAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Br)cc1)N1CCCN1[C@@H]2c1ccc(Cl)cc1 100090988 ZTLSBLCLYFIIBS-KSZLIROESA-N 446.732 3.638 0 40 IHAB CS(=O)(=O)N(CC(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2)c1cc(Cl)c(Cl)cc1Cl 100272628 QHWZGGCABNIIRM-GPCCPHFNSA-N 425.765 3.718 0 40 IHAB O=C(COC(=O)C1CCC(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)CC1)c1ccc(Cl)cc1 101226555 PWBWMZUUULZMEX-YCKHJCPCSA-N 443.927 3.656 0 40 IHAB Cc1ccc(C)c(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)C(=O)c2ccccc2)c1 102153559 BXAVQEOUINVEDR-JKNQRQLFSA-N 426.516 3.961 0 40 IHAB Cc1ccc(C)c(C(=O)COC(=O)c2ccccc2N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 103121049 PHEFYHKLCLQMRK-ZCVTWQBDSA-N 431.488 3.879 0 40 IHAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 103504837 JZDXBOLFKZTUGS-SZQWWEDLSA-N 430.548 3.900 0 40 IHAB Cc1cc(=O)oc2cc(OCC(=O)NC(=O)N[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)c(Cl)cc12 106538368 UJZVHULESKUUKL-ORIJERBGSA-N 432.904 3.784 0 40 IHAB CCOC(=O)COc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)ccc1OC 106680927 RWUPDDWXESINHE-UNOMPAQXSA-N 427.478 3.874 0 40 IHAB CCn1c(=O)sc2cc(S(=O)(=O)NCCOc3ccc4ccccc4c3)ccc21 223646611 DMLUPCSVXBYZJP-UHFFFAOYSA-N 428.535 3.593 0 40 IHAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(SC)cc2)cc1C(=O)N1CCCCC1 223873920 UBVVSAMHULRMCK-UHFFFAOYSA-N 448.610 3.864 0 40 IHAB Cc1cc(C(=O)Nc2ccc3c(c2)OCCO3)ccc1N(C)S(=O)(=O)c1ccccc1 224194001 CGRYGCXYMPDYEG-UHFFFAOYSA-N 438.505 3.844 0 40 IHAB CC[C@H](C(=O)Nc1nnc(-c2ccc(C)cc2)s1)N(c1ccccc1)S(C)(=O)=O 225170610 RAZQXJYGFDUZPK-QGZVFWFLSA-N 430.555 3.697 0 40 IHAB CC(C)n1c(=O)sc2cc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)ccc21 225183232 JLPRHIPKSNVFMC-UHFFFAOYSA-N 445.566 3.681 0 40 IHAB C[C@@H](C(=O)NCCSC1CCCC1)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 225282989 QKOXZHYJHMBZNK-LBPRGKRZSA-N 439.430 3.940 0 40 IHAB Cc1ccc(CN(CC(=O)N(Cc2ccccc2)Cc2ccccc2)S(C)(=O)=O)cc1 225699608 JOHPLNLHPIEJQL-UHFFFAOYSA-N 436.577 3.986 0 40 IHAB O=c1sc2cc(S(=O)(=O)NCc3cccnc3)ccc2n1Cc1ccc(Cl)cc1 225784979 CGXIRSITWDOFAK-UHFFFAOYSA-N 445.953 3.638 0 40 IHAB COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=Cc4ccccc4N2[C@H]3C(=O)C(C)(C)C)cc1 248121381 DWVUYDLNFHGLKI-CLAROIROSA-N 430.504 3.700 0 40 IHAB COc1ccc(C2(C(=O)N3CCOC[C@H](Cc4cn5ccnc5cn4)C3)CCCCC2)cc1 257303235 SGHKRPXCLXOGST-HXUWFJFHSA-N 448.567 3.658 0 40 IHAB CNC(=O)c1sc2ncccc2c1[C@H]1CC[C@H](CNC(=O)c2cnc(C)nc2C)CC1 257315698 VCLKHORYIIPVAS-WKILWMFISA-N 437.569 3.767 0 40 IHAB O=C(c1ccnc(Cc2cccc(F)c2)c1)N1CCC[C@@H]1c1cncc(-c2ncc[nH]2)n1 257321762 WDCYYVIAPPBTTM-JOCHJYFZSA-N 428.471 3.969 0 40 IHAB CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)Cn1nc(C)cc1C 257330261 XNPWVSDEWULBPO-AMVJKZIMSA-N 448.611 3.892 0 40 IHAB CC1=NN(CCC(=O)N2CCC(Cc3ccccc3-c3cccs3)(C(N)=O)CC2)CC1 257337774 YUHPDYZRGRMJRY-UHFFFAOYSA-N 438.597 3.523 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](C)CCc3ccccc3)C2)c1 260825730 JTNBKBMUEGOFOY-IFMALSPDSA-N 428.598 3.842 0 40 IHAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2c(Cl)cccc2Cl)cc1Cl 408553739 QHGPXRBQHBTVHF-VIFPVBQESA-N 437.732 3.961 0 40 IHAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 409197986 TWMLQHOIOVDJIV-CYBMUJFWSA-N 430.448 3.800 0 40 IHAB C[C@@H](C(=O)NCCSCc1ccccc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 409410926 APYYGIKGFFICHX-HNNXBMFYSA-N 426.991 3.544 0 40 IHAB Cc1ccc(C(=O)N[C@H](CC(=O)NC[C@@H](CO)Cc2ccccc2)c2ccccc2)cc1 605544094 FEJRJOYZJSIXMT-WIOPSUGQSA-N 430.548 3.824 0 40 IHAB O=C(CCc1ccccc1Br)NC[C@@](O)(c1ccccc1)C1CCOCC1 618254943 IDHPCTXGEIYCRN-JOCHJYFZSA-N 432.358 3.812 0 40 IHAB CCCCN1CCOc2ccccc2CCCC[C@]2(CN(C(=O)CC3CC3)CCO2)C1=O 643555548 AZDXEFFSNJMSDB-SANMLTNESA-N 442.600 3.818 0 40 IHAB Cc1cnn(-c2ccc(S(N)(=O)=O)cc2NCc2cnc(-c3cccs3)s2)c1 1203528969 AOKPABNPTLADHS-UHFFFAOYSA-N 431.568 3.625 0 40 IHAB CC(C)CCn1c(S[C@@H]2CCC(=O)NC2=O)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1643518576 MFARVMYEJRMJGO-TZMCWYRMSA-N 433.599 3.526 0 40 IHAB CC[C@@H]1CN(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](CO)[C@@H]1CN1CCC[C@@H]1COC 1772595058 TUOHQGIXSPKNAH-HUYLIWGRSA-N 443.510 3.667 0 40 IHAB COc1cc(C(=O)Nn2c(C3CCCCC3)nc3ccccc3c2=O)cc(OC)c1OC 804306 NLHIGMNIJVHNJE-UHFFFAOYSA-N 437.496 3.854 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(C(C)C)s3)CC2)cc1Cl 1357698 VVFBPUKMECFOCE-UHFFFAOYSA-N 442.994 3.663 0 40 IHAB CCCCCCOc1ccccc1/C=c1/sc2nc(=O)c(Cc3ccccc3)nn2c1=O 2363012 NOEUELGASMAJFE-OQKWZONESA-N 447.560 3.609 0 40 IHAB O=C(O)C[C@H](O)[C@@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 2598916 DDFWEZMWBJEUAX-RPWUZVMVSA-N 431.488 3.972 0 40 IHAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1ccccc1NC(=O)c1ccco1 2658705 UUQXMBHYZBLDMN-UHFFFAOYSA-N 438.436 3.693 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CSc2nc3cc(S(=O)(=O)CC)ccc3o2)cc1 3262343 LVSDYHUGMRPEAO-UHFFFAOYSA-N 448.522 3.529 0 40 IHAB O=S(=O)(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc(C(F)(F)F)c1 3340959 QXYWPHYDYHLJQQ-UHFFFAOYSA-N 448.488 3.681 0 40 IHAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1 3416336 PFVFIDVEYMVZGL-UHFFFAOYSA-N 439.472 3.546 0 40 IHAB C[C@@H](C(=O)Nc1ccc(Br)cc1)n1nnc2sc3c(c2c1=O)CCCC3 8844179 VSUWTPICDSVKPT-JTQLQIEISA-N 433.331 3.694 0 40 IHAB CC(C)C(=O)N1C(=O)[C@]2(c3ccccc31)c1[nH]c3ccccc3c1CCN2C(=O)C(C)C 8878032 QJSDQZVKVDCCOI-SANMLTNESA-N 429.520 3.981 0 40 IHAB biogenic Cn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N1CCC(c2ccccc2)=N1 9126388 YLHLHASLJKBZEP-UHFFFAOYSA-N 441.944 3.776 0 40 IHAB CCOc1ccc(NC(=O)[C@@H]2Sc3nnc(C)n3N[C@H]2c2ccc(OCC)cc2)cc1 9238922 PTWQQJZRDHQBRP-VQTJNVASSA-N 439.541 3.782 0 40 IHAB CSc1ccccc1NC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 9493446 UKGALCHADUNSIK-UHFFFAOYSA-N 429.361 3.576 0 40 IHAB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2ccc(N3CCCC3=O)cc2)c1 9613300 PZGYSHBYFYQGOH-UHFFFAOYSA-N 449.532 3.891 0 40 IHAB COc1cccc(-n2c(=O)c3ccccc3n3c(SC[C@H](O)c4ccccc4)nnc23)c1 9742935 OHJABSPNRPILKJ-NRFANRHFSA-N 444.516 3.868 0 40 IHAB COc1ccc(CCN2C[C@@H](C(=O)N3CCC[C@H]3c3cccs3)CC2=O)cc1OC 9765904 IRPOLNSIBHZEBO-ROUUACIJSA-N 428.554 3.520 0 40 IHAB Oc1c([C@H](c2cccs2)N2CCC3(CC2)OCCO3)sc2nc(-c3ccco3)nn12 9808575 KBUYRJOQSMAVKU-HNNXBMFYSA-N 444.538 3.746 0 40 IHAB COc1ccccc1Nc1nc(N)nc(CSc2nnc(C3CC3)n2-c2ccccc2)n1 9870804 XVOXTMOHMFHGRR-UHFFFAOYSA-N 446.540 3.956 0 40 IHAB C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)c2ccc(N3CCCC3=O)cc2)C1=O 9996267 SLZNGMJIQFBZDZ-AREMUKBSSA-N 441.487 3.617 0 40 IHAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1 10145574 HQYALWNKSWGOJH-SJLPKXTDSA-N 435.549 3.645 0 40 IHAB O=C(CN1N=C(c2ccccc2)Cn2c(cc3sccc32)C1=O)NCc1ccccc1 12113588 JLKYADFJFGGCDH-UHFFFAOYSA-N 428.517 3.879 0 40 IHAB COc1cc(Nc2ccc(NS(=O)(=O)c3cc(C)c(OC)cc3C)cc2)nc(C)n1 12226191 DOWPQZGOXXFQEE-UHFFFAOYSA-N 428.514 3.963 0 40 IHAB C[C@H](C(=O)NC(C)(C)C)N(C(=O)[C@H]1COc2ccccc2O1)c1cnc2ccccc2c1 12471396 JPXKOVDBZMVPKF-OPAMFIHVSA-N 433.508 3.711 0 40 IHAB C[C@H](CNC(=O)c1ccc(N2CCCS2(=O)=O)cc1)c1nc2ccccc2n1C(F)F 12579307 ZLBHHBKBOHXXCD-CQSZACIVSA-N 448.495 3.505 0 40 IHAB Cc1nc(SCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)n(C2CCCC2)c1C 12783821 NQJYWTBTWSXANY-LJQANCHMSA-N 439.647 3.665 0 40 IHAB Cc1ccccc1-n1nnnc1SCC(=O)Nc1cc(C2CC2)nn1-c1ccccc1 12816345 ONJCEKVFQQQMJC-UHFFFAOYSA-N 431.525 3.765 0 40 IHAB CN(CC(=O)Nc1ccccc1Br)C(=O)COc1cccc2c1OC(C)(C)C2 12892799 RAEYQUCAYPFXHQ-UHFFFAOYSA-N 447.329 3.639 0 40 IHAB COc1ccc(S(=O)(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc1NC(C)=O 12924007 PTEVXZWEDBHLOG-UHFFFAOYSA-N 425.510 3.613 0 40 IHAB Cc1n[nH]c(=O)c2c(NC(=O)COC(=O)[C@H](c3ccc(Cl)cc3)C(C)C)oc(C)c12 13108084 XCKTUVJHTPPUJM-INIZCTEOSA-N 431.876 3.708 0 40 IHAB CCC[C@H](c1nnnn1C(C)(C)CC)N(CCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O 13499503 FFURBWHAZKSPMC-OAQYLSRUSA-N 440.592 3.612 0 40 IHAB COc1cc(NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)c(OC)cc1NC(=O)c1ccccc1 13568094 QKSLCRIDGCEEBP-MRXNPFEDSA-N 439.512 3.542 0 40 IHAB CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(CN2CCOCC2)cc1 14121395 IKIGBUSYGJYBBH-QFIPXVFZSA-N 443.975 3.955 0 40 IHAB O=C(CSc1ncnc2c1cnn2-c1ccc(F)cc1)NCCc1ccc(F)cc1 14803899 WACODDYITKGESP-UHFFFAOYSA-N 425.464 3.545 0 40 IHAB Cc1ccc2occ(CC(=O)Nc3ccc(S(=O)(=O)N4C[C@H](C)O[C@H](C)C4)cc3)c2c1 16749856 CHVCIIMVVWHTNX-CALCHBBNSA-N 442.537 3.720 0 40 IHAB CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)[C@H]3COc4ccc(Cl)cc4C3)ccc21 16810321 JPEBDPXKDBSBJT-SCLBCKFNSA-N 427.884 3.615 0 40 IHAB O=C(COC(=O)c1c[nH]c2ccccc12)Nc1cc(C(F)(F)F)ccc1-n1cncn1 17118334 PFAYXYGLDDNPTG-UHFFFAOYSA-N 429.358 3.563 0 40 IHAB COc1ccc(CN2CC[C@](Cc3cccc(-c4ccncc4)c3)(C(N)=O)C2)c(OC)c1 19552192 FIVBLKSYHMHBOJ-AREMUKBSSA-N 431.536 3.686 0 40 IHAB COc1ccc(-c2ncc(CN3C[C@@H](c4ccccc4)[C@@]4(CCCC(=O)N4)C3)cn2)cc1 19558596 OFLCQEXGQIRMRX-JYFHCDHNSA-N 428.536 3.791 0 40 IHAB CN(CCO)C(=O)c1sc2ncccc2c1[C@@H]1CCN(Cc2ccnc3ccccc23)C1 19702131 XTFOOBVWOXOTQI-GOSISDBHSA-N 446.576 3.898 0 40 IHAB Cc1cc(C)cc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(F)cc2)c1 20007768 DCSASMLOPOVZAR-QFIPXVFZSA-N 426.513 3.971 0 40 IHAB COc1ccc(CC(=O)Nc2sc3c(c2C(=O)NC[C@@H]2CCCO2)CCCC3)cc1 21895369 CIKOBHAMFYXQHO-KRWDZBQOSA-N 428.554 3.726 0 40 IHAB O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl)N1CCCCC1 22246367 PTEVMBHQVQVUKY-SFHVURJKSA-N 441.380 3.896 0 40 IHAB Cc1csc(=S)n1CN1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 22934515 KRRKJWOLTWNSIY-UHFFFAOYSA-N 446.520 3.700 0 40 IHAB O=C(NCc1ccccc1CN1CCOCC1)c1ccccc1SC[C@@H]1CCCO1 23805785 GJHJTKWECXWNHL-NRFANRHFSA-N 426.582 3.720 0 40 IHAB CN(c1ccc(OC(=O)C2CCOCC2)cc1)S(=O)(=O)c1ccc2ccccc2c1 24649104 GFCIKIWHNJTQRI-UHFFFAOYSA-N 425.506 3.997 0 40 IHAB CCOC(=O)C1=C(CN2CCc3sccc3[C@H]2c2ccccc2)NC(=O)N[C@@H]1CC 24945468 MVCPUTXYWLBWHP-DYESRHJHSA-N 425.554 3.604 0 40 IHAB CCCN(Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)Cc1nnc(-c2cccs2)o1 25406969 DHKQUSONMLQPMP-UHFFFAOYSA-N 427.555 3.997 0 40 IHAB COc1ccccc1N1CCN(C(=O)CCC(=O)Nc2nc3ccc(C)cc3s2)CC1 27913523 SZYRXOHKGZXKSV-UHFFFAOYSA-N 438.553 3.681 0 40 IHAB Cc1ccc(S(=O)(=O)NCCNC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1 29328523 FGABVLWJAOWSSS-CYBMUJFWSA-N 430.357 3.641 0 40 IHAB CCCNc1nnc(SCC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)s1 32741844 SJBUHZFOEQHUST-UHFFFAOYSA-N 447.508 3.568 0 40 IHAB CC[C@H](OC(=O)CCc1nc2ccccc2c(=O)n1C1CC1)C(=O)Nc1ccc(F)cc1 32848741 HMBLGGAWPXCZOU-FQEVSTJZSA-N 437.471 3.764 0 40 IHAB O=C(NCCN1C(=O)S/C(=C/c2cccc(Br)c2)C1=O)c1ccccc1O 35104227 BEMXSROUAMVZKP-LFIBNONCSA-N 447.310 3.621 0 40 IHAB COc1ccccc1NS(=O)(=O)c1ccc(O)c(Nc2ncnc3sccc23)c1 35684336 WJXXRNSVLARXIZ-UHFFFAOYSA-N 428.495 3.950 0 40 IHAB COc1ccc(NC(=O)[C@@H]2C[C@H]3CCCN3[C@]23C(=O)Nc2c(Cl)cc(C)cc23)cc1 35808853 FSXFFARJUOASMZ-TWWFPWMWSA-N 425.916 3.927 0 40 IHAB CCOC(=O)c1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccccc4)[C@@H]3C2=O)cc1 36083055 DMTOWFDANFMRDL-ZRBLBEILSA-N 442.471 3.914 0 40 IHAB CSc1ncc(C(=O)O[C@@H](C)C(=O)NCc2ccc(F)cc2)n1-c1ccc(F)cc1 39996278 CBIOAJBOWJIIHJ-ZDUSSCGKSA-N 431.464 3.734 0 40 IHAB COc1ccc(NC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)cc1OCc1cccnc1 40092610 BPTJMNRFHSRLIO-IBGZPJMESA-N 438.528 3.536 0 40 IHAB CC(C)(C)OC(=O)NCCC(=O)NC[C@@H](c1ccccc1)N1CCc2sccc2C1 40108138 HNQBIAFNCJCDCH-IBGZPJMESA-N 429.586 3.879 0 40 IHAB Nc1c(-c2ccccn2)nsc1C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 49007642 HNWUMQKPOGUXFY-UHFFFAOYSA-N 433.459 3.769 0 40 IHAB Cc1ccc(NC(=O)Cn2nc3c(Oc4cccc(C)c4C)nccn3c2=O)cc1Cl 49008536 SITOVWZCROUWSE-UHFFFAOYSA-N 437.887 3.901 0 40 IHAB CC(C)CCn1c(=O)c2sccc2n(CC(=O)Nc2cccc(C(F)(F)F)c2)c1=O 57426605 INXIEGVERGONDS-UHFFFAOYSA-N 439.459 3.928 0 40 IHAB CCN(C(=O)Cn1c(=O)n(-c2cccc(C)c2)c(=O)c2sccc21)c1cccc(C)c1 57489961 DPZXOIDMAPEEEN-UHFFFAOYSA-N 433.533 3.884 0 40 IHAB CC(=O)NCc1ccc(C(=O)Nc2nc(-c3ccc([C@H](C)NC(C)=O)cc3)cs2)cc1 58310982 JGIGTQUAUPRCAA-AWEZNQCLSA-N 436.537 3.896 0 40 IHAB COC(=O)c1ccc(NC(=O)Cn2cc(-c3ccccc3)c3ncn(C(C)C)c(=O)c32)cc1 65113618 DEYBTNICNGXRBW-UHFFFAOYSA-N 444.491 3.871 0 40 IHAB COC(=O)[C@H](CCSC)NC(=O)Cn1ccc2ccc(OCc3ccccc3)cc21 72325759 QZFLLTQIZGZKIC-FQEVSTJZSA-N 426.538 3.631 0 40 IHAB biogenic O=C(c1cn[nH]c1-c1cccc(Br)c1)N1CCN(c2ccc(F)cc2)CC1 72328694 QMCFZXBKPFRCBW-UHFFFAOYSA-N 429.293 3.941 0 40 IHAB CNc1nc([C@H]2CCCCN2Cc2ccc3ncccc3c2)nc2c1CCN(C(C)=O)C2 72376569 HUDLLGRGQLKGGZ-HSZRJFAPSA-N 430.556 3.698 0 40 IHAB COc1ncc([C@]2(O)CC[C@H]3CN(Cc4ccc(OC5CCCC5)cc4)C[C@H]32)c(OC)n1 72392634 DISBXXMMHNGWED-QRJOEMBSSA-N 439.556 3.545 0 40 IHAB C[C@@H](Cc1nc2ccccc2s1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 79023342 HHRAQVJXNGUSAM-INIZCTEOSA-N 433.574 3.763 0 40 IHAB O=S(=O)(N1CCC(c2nc3ccc(-c4cccc(F)c4)cn3n2)CC1)C(F)(F)F 96155769 CXZOFKILWDFSGU-UHFFFAOYSA-N 428.411 3.564 0 40 IHAB O=c1c2ccccc2nnn1C[C@H]1CC[C@H](C(=O)Nc2cccc(Br)c2)CC1 101105653 XGWAXENLXPANOL-GASCZTMLSA-N 441.329 3.999 0 40 IHAB CC[C@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(C(C)C)co1 103713285 DGKQQEVYYPCMNE-HNNXBMFYSA-N 425.485 3.713 0 40 IHAB CCOc1ccc(N(CCCC(=O)N[C@@H](C)COc2ccc(C)cc2)S(C)(=O)=O)cc1 222623410 TXDNLKKWFBGIMD-IBGZPJMESA-N 448.585 3.524 0 40 IHAB CC[C@H](NC(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O)c1ccc2c(c1)CCCC2 223039443 HZXHLGFFSCTGOX-NRFANRHFSA-N 444.597 3.916 0 40 IHAB COc1ccc([C@@H](C)NC(=O)c2ccc(CN(C)S(=O)(=O)c3ccc(C)cc3)o2)cc1 223407108 YRXNOIMVUATWNO-QGZVFWFLSA-N 442.537 3.908 0 40 IHAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1OC 223889301 HNMKPLMODYOEAD-REWYHUOISA-N 426.538 3.841 0 40 IHAB CC(C)(C)CC(C)(C)NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1 225109829 PVBAMNJIBZJKHO-UHFFFAOYSA-N 430.983 3.937 0 40 IHAB CC(=O)N1CCCc2cc(S(=O)(=O)Nc3nnc(-c4ccc(C)cc4)s3)ccc21 225257756 KPNBLWPCVDGFTB-UHFFFAOYSA-N 428.539 3.613 0 40 IHAB COc1ccc(-c2noc([C@H](C)O)c2C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 225431543 JMDFUUYLHAUWLK-HNNXBMFYSA-N 425.460 3.505 0 40 IHAB biogenic,in-vitro Cc1nc(-c2cccc(NC(=O)CCc3ccc(S(=O)(=O)N(C)C)cc3)c2)cs1 226051082 HKDAXNHRENOHSE-UHFFFAOYSA-N 429.567 3.940 0 40 IHAB Cc1nccn1[C@@H]1CCC[C@@H](NC(=O)CCCn2c(C(F)(F)F)nc3ccccc32)[C@H]1O 257210234 BTSQANNBOMHVTM-YVWKXTFCSA-N 449.477 3.611 0 40 IHAB COc1cccc(N2[C@H]3CCCN(CC(=O)N4CC(=O)Nc5ccccc54)[C@H]3CC2(C)C)c1 257247976 JBLPEGAEKAQLQZ-GOTSBHOMSA-N 448.567 3.502 0 40 IHAB COCc1cccc(C(=O)N2CCC[C@](COc3cccc(Cl)c3)(CC(N)=O)C2)c1 257269975 MSGKJYYUIVFXKV-QHCPKHFHSA-N 430.932 3.663 0 40 IHAB CN(CCC(=O)N1CCC[C@@H]1c1cncc(Cc2cccc(F)c2)n1)Cc1ccccn1 257272117 NBCYGUXJGWSXOQ-XMMPIXPASA-N 433.531 3.787 0 40 IHAB Cc1nn(C)cc1C(=O)N1[C@H](c2cccc(C(F)(F)F)c2)C[C@H]2NC(=O)CCCC[C@@H]21 257282944 OVZSHNJUFWAHSL-QYZOEREBSA-N 434.462 3.762 0 40 IHAB COc1cccc(OC)c1C(=O)N1CCC(c2cc(Nc3ncccn3)cc(C)n2)CC1 257327700 XCHQITGDZFTRAG-UHFFFAOYSA-N 433.512 3.961 0 40 IHAB Cc1cccc(N([C@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)S(C)(=O)=O)c1 260593093 WCXJKZSEKNQRFY-XLIONFOSSA-N 430.570 3.877 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](C)CCc3ccccc3)C2)cc1 408583792 KFDRLWBQUOKVGK-PZJWPPBQSA-N 444.597 3.624 0 40 IHAB O=C(NCc1ccc(F)cc1)c1ccccc1NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 408614335 BBFFJFFAOUUBKN-FQEVSTJZSA-N 445.494 3.743 0 40 IHAB Cc1ccc(C(=O)CN(C(=O)c2ccccc2Cl)N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 408643150 FPWPSKXGTRTODA-FHQLIMNDSA-N 448.906 3.696 0 40 IHAB Cc1cccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCCc2ccc(Cl)cc2)c1 408709965 JNSGOSPOQKSHPE-UHFFFAOYSA-N 449.938 3.876 0 40 IHAB Cc1ccc2c(c1)[C@@H](NC(=O)CCSCCC(=O)N[C@H]1COc3ccc(C)cc31)CO2 532423430 AOQQCCZKUTUKGK-PMACEKPBSA-N 440.565 3.616 0 40 IHAB C[C@H](NC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)c1nc(C(F)(F)F)no1 1536629227 HZQVCMAODNJEDF-QMMMGPOBSA-N 427.333 3.532 0 40 IHAB Cc1c(C(=O)N2CCC3(CC[C@@H]3NC(=O)CCc3ccccc3)CC2)nc2ccccn12 1565556624 XVDKYBIWMLWZNB-NRFANRHFSA-N 430.552 3.777 0 40 IHAB COc1ccc(OC)c(NC(=O)c2cc3c(n(-c4ccc(C)cc4)c2=O)CCCC3=O)c1 809742 WCJZSQLDOJOBAH-UHFFFAOYSA-N 432.476 3.934 0 40 IHAB Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CCC[C@@H](C)C3)cc2c1 907690 OCEZPYRAGQLBJH-HXOBKFHXSA-N 446.530 3.832 0 40 IHAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 908014 AIPWUIDVIKDBTR-UHFFFAOYSA-N 448.850 3.632 0 40 IHAB Cc1cc(C)nc(SCc2nnc(SCC(=O)N3CCCc4ccccc43)o2)n1 976447 IPYYMHMKTVDVFM-UHFFFAOYSA-N 427.555 3.840 0 40 IHAB COc1cccc(N2C(=O)[C@H](CC(=O)Nc3ccccc3)N(Cc3ccccn3)C2=S)c1 1442529 BONZTRAAIKUFAA-NRFANRHFSA-N 446.532 3.621 0 40 IHAB COc1cc([C@@H]2OC[C@H]3[C@H]2CO[C@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 1532044 HRLFUIXSXUASEX-KFVVBQDRSA-N 446.496 3.813 0 40 IHAB biogenic,in-vitro Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3Cl)C2=O)c(C)n1C[C@H]1CCCO1 2664749 WYTJSPIERIQBCY-MWTRTKDXSA-N 443.931 3.587 0 40 IHAB CCOC(=O)c1c(CSc2nnc(N)s2)n(C)c2cc(Br)c(O)cc12 2689633 BWLICAKWKKRIHS-UHFFFAOYSA-N 443.348 3.549 0 40 IHAB O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N(Cc1ccco1)Cc1cccs1 3340551 MYINAYYFFPLOJQ-UHFFFAOYSA-N 430.551 3.968 0 40 IHAB O=C(N[C@H]1N=C(c2ccccc2F)c2cccc3c2N(CC3)C1=O)c1cc2ccccc2[nH]1 3798924 WKJDXKWFGJWGAS-XMMPIXPASA-N 438.462 3.803 0 40 IHAB in-man COc1ccccc1NC(=S)N(CCCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O 4127661 IEGUVCDXZLYOBT-UHFFFAOYSA-N 425.554 3.735 0 40 IHAB Cc1ccc(NC(=O)CSCC(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)cc1 8666131 WHFIDJWDPJKIGP-UHFFFAOYSA-N 433.961 3.795 0 40 IHAB Nc1nc(COc2cccc(C(=O)NCc3ccccc3)c2)nc(Nc2ccccc2)n1 8706889 QKBZBUCZHUDWAP-UHFFFAOYSA-N 426.480 3.706 0 40 IHAB Cc1cc(Cl)ccc1OCC(=O)N(Cc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 8767864 OMWDFFICVXJSEL-GOSISDBHSA-N 442.364 3.897 0 40 IHAB COc1ccc2[nH]cc(CCNC(=O)CCc3c(C)c4ccc(O)c(C)c4oc3=O)c2c1 8877336 DLEMNYFQAATYFH-UHFFFAOYSA-N 434.492 3.897 0 40 IHAB biogenic CCCc1cc(=O)oc2cc(OCC(=O)NCCc3c[nH]c4ccc(OC)cc34)ccc12 8878155 MECOIUXDHVDHPE-UHFFFAOYSA-N 434.492 3.973 0 40 IHAB biogenic CC[C@@H]1C(=O)N(c2ccc(OC)cc2)C(=O)[C@H]2C(=O)Oc3ccc(Br)cc3[C@H]12 8892146 GJLOQGZEOGPFMP-WBAXXEDZSA-N 444.281 3.676 0 40 IHAB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCCc2c[nH]c3ccccc23)c1 9139492 CCKYAPJPGNITJK-UHFFFAOYSA-N 433.533 3.966 0 40 IHAB C[C@H](NC(=O)COc1cccc(C(=O)NCc2ccccc2)c1)c1ccc2c(c1)OCCO2 9387914 XYTLIVUVADFOJI-SFHVURJKSA-N 446.503 3.644 0 40 IHAB CCOc1ccc(CCNC(=O)COC(=O)c2ccc(SC)cc2OC)cc1OCC 9443320 IJXDNDCHMSABLG-UHFFFAOYSA-N 447.553 3.730 0 40 IHAB Cc1ccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(C/C=C/c3ccccc3)c(=O)n2C)cc1 9518964 IHYMOLOMPSCXON-QPGLYAHGSA-N 441.535 3.706 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)/C(=C\c1ccccc1)c1ccccc1 9667409 DIXLFKCLWMGWHQ-CLCOLTQESA-N 448.544 3.887 0 40 IHAB Fc1cccc(-n2c(SCc3nc(-c4cccs4)no3)nnc2N2CCOCC2)c1 9847298 GKYYEQMRDDHCGQ-UHFFFAOYSA-N 444.517 3.647 0 40 IHAB COc1ccc([C@@]2(C)NC(=O)N(Cc3ccc(Br)cc3F)C2=O)cc1OC 9908467 JKTGMXNMMVAVHA-LJQANCHMSA-N 437.265 3.573 0 40 IHAB CCOc1ccccc1-n1nnnc1SCC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 9912538 NSARMNLTKNXSOT-MRXNPFEDSA-N 437.569 3.909 0 40 IHAB C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)Nc2ccc(F)cc2F)C1=O 9981742 PSHSFMUXTBXSBR-GOSISDBHSA-N 428.222 3.677 0 40 IHAB CS(=O)(=O)c1cccc(C(=O)N(CCCn2ccnc2)c2nc3ccccc3s2)c1 10337699 CXQGRWKFRIAYMV-UHFFFAOYSA-N 440.550 3.633 0 40 IHAB Cc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cccc(C(F)(F)F)c4)ncn3n2)cc1C 11666406 CAMLLEUHXZAFTJ-UHFFFAOYSA-N 441.413 3.832 0 40 IHAB CC(=O)NCc1ccc(-c2csc(NC(=O)Cc3cc(Cl)c4c(c3)OCCO4)n2)o1 12054398 XIOUADIOPHRBKJ-UHFFFAOYSA-N 447.900 3.645 0 40 IHAB COc1ccc2c(c1)N[C@@]1(COC3(CCN(C(=O)c4oc(C)nc4C)CC3)C1)c1cccn1-2 12086240 PIZQXQZYQJVJOS-VWLOTQADSA-N 448.523 3.807 0 40 IHAB COCCc1nnc(NC(=O)C2(Cc3ccccc3-c3cccnc3)CCOCC2)s1 12088972 VMNXRZBNBXPUNY-UHFFFAOYSA-N 438.553 3.767 0 40 IHAB COc1cc(C(=O)N[C@H]2CC(C)(C)Cc3nc(N4CCCC4)ncc32)cc(OC)c1OC 12221052 UADQISVTSWUOOR-KRWDZBQOSA-N 440.544 3.546 0 40 IHAB O=C(Nc1ccc(F)cc1)c1cc2ccccc2o/c1=N\NS(=O)(=O)c1ccccc1 12437663 BORFLGIYHGGCHD-LVWGJNHUSA-N 437.452 3.618 0 40 IHAB COc1cc(CN2Cc3ccccc3C[C@@H]2C(=O)NCc2ccccc2)cc(OC)c1O 12469011 ZMEAXXJODSYZGB-JOCHJYFZSA-N 432.520 3.653 0 40 IHAB O=C(CN1CSCC1=O)Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1 12750673 WMYWZGCCRWELFC-UHFFFAOYSA-N 435.880 3.878 0 40 IHAB CN1CCN(C(=O)c2nn3c(c2Cl)N[C@H](c2cccs2)C[C@@H]3C(F)(F)F)CC1 12849776 XEFMATUEOYHSME-CMPLNLGQSA-N 433.887 3.646 0 40 IHAB COc1ccc(Cl)cc1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12988798 RQBGIGCTEUZYIP-UHFFFAOYSA-N 448.972 3.877 0 40 IHAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2)CC1 12994942 VWJKQXIZSFVRMJ-GOSISDBHSA-N 429.948 3.507 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)NCc1ccc2c(c1)OCO2 13005689 ACSPPFZXIFDAPZ-UHFFFAOYSA-N 442.468 3.594 0 40 IHAB O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)NC(=O)Nc1ccccc1F 13129580 DCGKSVCFWJAQQY-UHFFFAOYSA-N 445.447 3.508 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2sc(-c3ccccn3)nc2C)c1 14239538 RZXCAXRVJCPJBE-UHFFFAOYSA-N 446.554 3.502 0 40 IHAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc4c3CCCC4)cc2)C[C@@H](C)O1 15302652 GEZXTIOQBJBJPO-CALCHBBNSA-N 428.554 3.616 0 40 IHAB CCCCc1nn2c(=O)cc(COC(=O)c3ccc(NC(=O)CC(C)C)cc3)nc2s1 15771882 KMTNIQUNGUJAAQ-UHFFFAOYSA-N 442.541 3.835 0 40 IHAB O=S(=O)(c1ccc(F)cc1)N1CCN(c2nc3ccccc3nc2-c2ccccc2)CC1 16492054 CIYCTBLQSMAGOI-UHFFFAOYSA-N 448.523 3.947 0 40 IHAB CCCN1CCN(C(=O)c2nccn2C)C[C@@H](Cc2ccc(-c3ccccc3)cc2)C1=O 19502731 GCUVVVRJDXOPBV-HSZRJFAPSA-N 430.552 3.640 0 40 IHAB CCc1ccc(CN2CCC[C@@H]2c2nc(=O)c3c([nH]2)CN(C(=O)c2cccs2)CC3)cc1 19522878 VMIFURZGTMJHNC-OAQYLSRUSA-N 448.592 3.929 0 40 IHAB CCOC(=O)c1cnn2c1N[C@@H](C1CCN(Cc3cccnc3)CC1)C[C@H]2C(F)(F)F 19530978 QEYXYSFWZQGGFW-MSOLQXFVSA-N 437.466 3.655 0 40 IHAB C[C@@H]1CCCCN1CC(=O)N1CCC(c2nc(N(C)C)ncc2-c2ccccc2F)CC1 19695114 TXEHWZVMANXQKV-GOSISDBHSA-N 439.579 3.929 0 40 IHAB COc1cccc(C(=O)N2CC[C@H](c3ccc4c(NCc5cccc(C)n5)n[nH]c4n3)C2)c1 19704700 HERLTZKTQBRNRE-SFHVURJKSA-N 442.523 3.912 0 40 IHAB Cc1cccc(CNc2n[nH]c3nc([C@@H]4CCN(C(=O)COc5ccccc5)C4)ccc23)n1 19705024 XPCVNWZEAMQPEW-GOSISDBHSA-N 442.523 3.668 0 40 IHAB O=C1CCCC[C@@H]2[C@H](CCN2C(=O)c2ccc(-n3cccn3)nc2)N1Cc1ccccc1F 19713160 MYNULWRJSDPDSJ-YADHBBJMSA-N 447.514 3.592 0 40 IHAB Cc1nc(C2CCN(Cc3cnn(C)c3C)CC2)nc2c1CCC(=O)N2Cc1ccccc1 19739491 XWYBEUBPATWYSZ-UHFFFAOYSA-N 444.583 3.686 0 40 IHAB O=C(NCc1ccc(Cl)cc1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 19860807 IZBLWXDDCNVPMA-KRWDZBQOSA-N 441.380 3.852 0 40 IHAB COCCCNc1nc2c(S(=O)(=O)c3ccc(C(C)C)cc3)nnn2c2ccccc12 20355961 QWWVJZBJPJENSU-UHFFFAOYSA-N 439.541 3.682 0 40 IHAB COc1ccccc1CN(C)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 20492968 PPLARIVUOHTNCR-UHFFFAOYSA-N 438.549 3.858 0 40 IHAB Cc1c(CCC(=O)Nc2ccc(CN3CCOCC3)cc2)c(=O)oc2c(C)c(O)ccc12 20647790 WUGAFHWLPRZJNY-UHFFFAOYSA-N 436.508 3.519 0 40 IHAB Brc1ccc(-c2nn3c(COc4ccc5c(c4)OCO5)nnc3s2)cc1 20714502 YLOCLQXEAMJMJB-UHFFFAOYSA-N 431.271 3.923 0 40 IHAB CCCc1cc(=O)[nH]c(SCC(=O)N(CC)Cc2ccc(Br)s2)n1 21189694 KPXVRPGSHJOVKY-UHFFFAOYSA-N 430.393 3.687 0 40 IHAB Cc1c(C(=O)OCC(=O)Nc2cc(Cl)ccc2-n2cncn2)oc2ccc(F)cc12 21445987 AVBZOQACDNXFJO-UHFFFAOYSA-N 428.807 3.910 0 40 IHAB Cc1c(-c2ccccc2)sc(NC(=O)/C=C/c2cnn(C)c2)c1C(=O)N1CCOCC1 21767650 GGKZYMHEEJGHEN-CMDGGOBGSA-N 436.537 3.581 0 40 IHAB CC(=O)c1cccc(NC(=O)CN(c2ccccc2F)S(=O)(=O)c2cccs2)c1 22392116 BBTTZMNXKSULMH-UHFFFAOYSA-N 432.498 3.924 0 40 IHAB COc1ccc(CNC(=O)COC(=O)c2ccsc2-n2c(C)ccc2C)cc1OC 22533203 PAHZQBMIZYPBMB-UHFFFAOYSA-N 428.510 3.646 0 40 IHAB CCN1CCN([C@@H](c2ccc(Cl)c(Cl)c2)c2sc3nc(C)nn3c2O)CC1 22626839 JCACMNWLICGWOP-HNNXBMFYSA-N 426.373 3.839 0 40 IHAB O=c1[nH]c(CN2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)nc2cc(Cl)ccc12 22912463 YFXNGDWBJQRUBT-UHFFFAOYSA-N 436.865 3.913 0 40 IHAB COc1ccc(OC)c(NC(=O)[C@H](C)OC(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)c1 24199775 NQHFCASTYNIFBM-YCRPNKLZSA-N 438.480 3.538 0 40 IHAB Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 24262450 XOMXEXMNDCWWSR-UHFFFAOYSA-N 431.539 3.677 0 40 IHAB O=C(Cc1ccc(NS(=O)(=O)c2cccs2)cc1)N1CCC[C@@H](C(F)(F)F)C1 30517397 QJFRDXQYNANDED-CQSZACIVSA-N 432.489 3.892 0 40 IHAB CCOc1ccc(N([C@@H](C)C(=O)N[C@@H](CC)c2ccc(OC)cc2)S(C)(=O)=O)cc1 30754186 IEBRMLCAKSEBFX-KKSFZXQISA-N 434.558 3.516 0 40 IHAB Cc1noc2nc(-c3ccccc3)cc(C(=O)N3CCN(C(=O)c4ccc(F)cc4)CC3)c12 31192012 FVOWKNZNBCSKSQ-UHFFFAOYSA-N 444.466 3.936 0 40 IHAB CC(C)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 32888531 GXFCUKGYEJIDGQ-HSZRJFAPSA-N 437.565 3.787 0 40 IHAB CC[C@H]1c2ccsc2CCN1C(=O)CCCN(C)S(=O)(=O)c1ccc(OC)cc1 32891597 NPDOBDQLBXOYQO-IBGZPJMESA-N 436.599 3.693 0 40 IHAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CN2CC(=O)Nc3ccccc32)cc1 33404878 YNGXJAUDTAJKGD-XMMPIXPASA-N 440.503 3.832 0 40 IHAB CCOc1cc(C(=O)OCC(=O)c2ccccc2)cc(I)c1OC 33780461 HOMYYEPDHFQBSG-UHFFFAOYSA-N 440.233 3.738 0 40 IHAB COc1cc(C(=O)Nc2ccccc2-c2nc3ccccc3c(=O)[nH]2)cc(OC)c1OC 36626606 POXZTYIRTFLIAO-UHFFFAOYSA-N 431.448 3.868 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(OCc3cc(=O)n4ccc(C)cc4n3)cc2)cc1 36773037 UQYSRBNWAQLCOC-UHFFFAOYSA-N 449.532 3.715 0 40 IHAB CCOc1cccc(CNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)c1 44945812 GASRVROLTBGFJD-UHFFFAOYSA-N 442.512 3.736 0 40 IHAB CN(C)CCN(CCc1ccccc1)C(=O)Nc1ccc(N2CCCN(C)CC2)c(F)c1 58009009 FNTGGOCALHBTTD-UHFFFAOYSA-N 441.595 3.606 0 40 IHAB Cc1cc(C)n(CC(=O)Nc2ccc(Cl)cc2F)c(=O)c1S(=O)(=O)c1ccccc1 64838516 RLSDVTYUICOZOY-UHFFFAOYSA-N 448.903 3.729 0 40 IHAB COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)Nc3ccccc3)Oc3cc(C)ccc32)cc1 64986344 OGJYOKPCRNPWAB-QFIPXVFZSA-N 438.505 3.599 0 40 IHAB FC(F)(F)Oc1ccccc1Cc1nnc2sc(-c3[nH]ncc3Br)nn12 71287515 FHQPTYMXCKIMGB-UHFFFAOYSA-N 445.224 3.828 0 40 IHAB C[C@@H](NC(=O)N1CCN(c2cccc(Cl)c2)CC1)C(=O)Nc1ccc2[nH]ccc2c1 71328951 PPDQZYWHIUGMSP-OAHLLOKOSA-N 425.920 3.680 0 40 IHAB O=C(CCS(=O)(=O)c1ccc2c(c1)OCCCO2)Nc1ncc(-c2ccccc2)s1 72294481 PSBKRBHCVPKGIX-UHFFFAOYSA-N 444.534 3.774 0 40 IHAB COc1ccc(CCn2cc(C(=O)N[C@@H]3CCOC(C)(C)C3)c3ccccc3c2=O)cc1 72325390 HGHOPAFEWIOOHO-LJQANCHMSA-N 434.536 3.940 0 40 IHAB biogenic COc1ccc(NC(=O)C2=NO[C@]3(CCCN(C(=O)Nc4cccc(F)c4)C3)C2)cc1 96225162 YJZKSTOBYCJLKA-JOCHJYFZSA-N 426.448 3.616 0 40 IHAB O=C(CSC(=S)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)Nc1ccccc1Cl 113481727 OAGONESMOARMDR-KBPBESRZSA-N 433.986 3.578 0 40 IHAB CCOC(=O)CN1C(=O)S/C(=C/c2ccccc2OCCOc2ccccc2)C1=O 205688036 NIJLJTUNGSBWKJ-XMHGGMMESA-N 427.478 3.744 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)N(C)Cc2ccc(C)cc2)c2ccccc2)cc1 216395623 IFSYZFZZXWPXGK-UHFFFAOYSA-N 438.549 3.858 0 40 IHAB CC(C)Oc1ccc(CNC(=O)CN(c2ccc(C(F)(F)F)cc2)S(C)(=O)=O)cc1 220049785 UWKOWMQEHDFSNN-UHFFFAOYSA-N 444.475 3.575 0 40 IHAB CC[C@@H](C(=O)N[C@H](C)COc1ccc(C)cc1)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220583138 SGYALHDJEDWOQT-KNQAVFIVSA-N 432.586 3.740 0 40 IHAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 222751318 RQCZOFCMQQABGC-INIZCTEOSA-N 446.569 3.667 0 40 IHAB CC[C@@H](NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1)c1ccc2c(c1)CCCC2 223134577 GCQUNOBHHLEALU-JOCHJYFZSA-N 430.570 3.608 0 40 IHAB Cc1ccccc1OCCNC(=O)[C@@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 224014773 CSLBXZFMAPKBEC-CQSZACIVSA-N 445.368 3.652 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCOc1ccccc1Cl 224098940 XNLBABBQWRGCPI-UHFFFAOYSA-N 436.961 3.632 0 40 IHAB CCOC(=O)N1CCN(C(=O)c2ccc(OCC)c(COc3ccc(OC)cc3)c2)CC1 224602910 FTCVMNROBAMGOS-UHFFFAOYSA-N 442.512 3.587 0 40 IHAB C[C@H](CC(C)(C)c1ccccc1)NC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O 224705853 CHACIVDHDZZZDF-HZPDHXFCSA-N 438.540 3.992 0 40 IHAB CCOC(=O)c1ccc(N(CC)S(=O)(=O)c2ccc(OC)c(Br)c2)cc1 224878291 HMYTZQVFXLTNNZ-UHFFFAOYSA-N 442.331 3.850 0 40 IHAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1sc2c(c1C(=O)N1CCCCC1)CCCC2 225759135 FAUADYRSRSQEFX-DACLVMHWSA-N 428.554 3.714 0 40 IHAB C[C@H]1CCCCN1c1cc(N2CCOCC2)nc(NC(=S)NC2CCCCCC2)n1 226010129 FXWRPJJSNMBTPR-KRWDZBQOSA-N 432.638 3.701 0 40 IHAB CC(=O)N1[C@@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1ncccc1O 257263151 LOQHDEWOVCVKJG-NPCORKRRSA-N 433.552 3.793 0 40 IHAB CCc1nnc(Nc2cc(C)nc([C@H]3CN(C(=O)c4cccc(OC)c4)CCO3)c2)s1 257273673 NHQPHGGOHWDECQ-LJQANCHMSA-N 439.541 3.770 0 40 IHAB COc1ccc(CN2CCC[C@H]([C@@](O)(CNC(=O)C(C)(C)C)c3ccccn3)C2)c(C)c1 257318744 VPFAOUPANAXFAV-LVXARBLLSA-N 439.600 3.661 0 40 IHAB CO[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2c2nc(N(C)C)ncc2-c2cc(C)no2)CC1 257320094 VVJHJJUIJDGQBY-LNLFQRSKSA-N 427.549 3.765 0 40 IHAB Cc1ccc(N([C@H](C)C(=O)N[C@H](C)COc2ccccc2C)S(C)(=O)=O)cc1Cl 260591961 ODVMYIMDGRJGLI-IAGOWNOFSA-N 438.977 3.695 0 40 IHAB COc1ccc(N(CC(=O)N[C@H](C)c2cc(C)c(C)cc2C)S(C)(=O)=O)cc1Cl 260922539 HIDWZHARXXZPAV-MRXNPFEDSA-N 438.977 3.917 0 40 IHAB Cc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OCC(=O)NC1CCCCCC1 408561554 JNCGTKSVNJRCCB-UHFFFAOYSA-N 442.581 3.964 0 40 IHAB C[C@H](C(=O)N1CCCCCC1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 408685496 QVPANNCENICCSS-JVSJQFCYSA-N 428.532 3.670 0 40 IHAB COc1cc(C(=O)N2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)cc(OC)c1OC 409022931 IHCHCLOKJLAVPV-UHFFFAOYSA-N 446.931 3.534 0 40 IHAB Cc1cccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)N[C@@H](C)c3ccccc3)n2C)c1 409141779 IYJNDHPIFGSIMQ-IRXDYDNUSA-N 437.569 3.584 0 40 IHAB CO[C@]1(C(F)(F)F)CCCN(S(=O)(=O)c2cnc3onc(-c4ccccc4)c3c2)C1 685597495 RBFOXSWDMXDJKL-GOSISDBHSA-N 441.431 3.622 0 40 IHAB CCCOc1ccc(/C=c2/sc3nc(-c4ccc(Br)cc4)nn3c2=O)cc1 1829568 HZGHOWXRVZUGLU-SFQUDFHCSA-N 442.338 3.917 0 40 IHAB CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1=O 2627593 DONKNMYSEZLUQR-HXUWFJFHSA-N 435.402 3.771 0 40 IHAB Cc1cc(C(=O)Cn2c(=O)c(=O)n(Cc3ccccc3)c3ccc(Cl)cc32)c(C)n1C 2642659 WEYFDTWCZHNHQU-UHFFFAOYSA-N 435.911 3.703 0 40 IHAB O=C(O)C1CCN(C(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)CC1 3279584 YOWSTZJWJGCFSW-UHFFFAOYSA-N 434.521 3.621 0 40 IHAB Cc1ccc(C)c(N2CCN([C@H]3CCCC[C@H]3NS(=O)(=O)c3ccccc3)CC2)c1 6804178 SIZFHFYOXGTUOV-PKTZIBPZSA-N 427.614 3.715 0 40 IHAB CCN(CC(=O)Nc1ccccc1C(=O)NC1CCCC1)Cc1ccc(OC)c(F)c1 8214318 JDRVYKZTJGFLQJ-UHFFFAOYSA-N 427.520 3.967 0 40 IHAB COc1ccc(CNC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(C)cc2)cc1 8613963 QGVZVNNHROEYGC-UHFFFAOYSA-N 436.533 3.685 0 40 IHAB Cc1c(O[C@@H](C)C(=O)NCCCn2ccnc2)ccc2c(-c3ccccc3)cc(=O)oc12 8791853 ARKLPJSRNDBHEO-SFHVURJKSA-N 431.492 3.939 0 40 IHAB biogenic CC[C@H](C)[C@H](C(=O)OCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)c1ccccc1 9098062 XSQNKPKEZXPVJJ-JTSKRJEESA-N 435.524 3.796 0 40 IHAB CCOC(=O)c1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2csnn2)cc1 9250856 DWNGDMYBRXZXQS-UHFFFAOYSA-N 436.449 3.966 0 40 IHAB COC(=O)c1ccc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2C)cc1 9346097 IDZKNPOMXRYZNC-INIZCTEOSA-N 428.238 3.517 0 40 IHAB O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CC(=O)N(C1=CCCCC1)C1CC1 9389386 ZXSMFWQMDMMYDZ-UHFFFAOYSA-N 429.520 3.931 0 40 IHAB CCOc1ccccc1C(=O)Nc1c2c(nn1-c1cccc(C)c1C)CS(=O)(=O)C2 9391551 RSBSURDOXFMCCP-UHFFFAOYSA-N 425.510 3.569 0 40 IHAB Nn1c(COc2ccccc2F)nnc1SCc1nc(-c2cccc(Cl)c2)no1 9478701 NXVCXZHNAGAHSS-UHFFFAOYSA-N 432.868 3.706 0 40 IHAB COc1cc(C(=O)OCC(=O)N2CCCC[C@H]2C)cc(NC(=O)c2cccs2)c1OC 9510300 NDQFNZWBBRKADX-CQSZACIVSA-N 446.525 3.575 0 40 IHAB Cc1ccc(NC(=O)C(=O)NCCc2csc3nc(-c4ccc(Cl)cc4)nn23)cc1 9569040 QCTKWPCWIMUXOK-UHFFFAOYSA-N 439.928 3.717 0 40 IHAB COc1ccc(OC)c(/C=C/C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c1 9613043 BFCYNMCFKXAWKS-FMIVXFBMSA-N 430.526 3.530 0 40 IHAB CCOC(=O)c1ccc(Nc2nc(Nc3ccc(CC)cc3)nc(N3CCOCC3)n2)cc1 9708818 BFAHLFLZRLFCAB-UHFFFAOYSA-N 448.527 3.935 0 40 IHAB COc1ccccc1N1CCN(C(=O)Cn2c(-c3cscn3)nc3ccccc32)CC1 9724762 ZCYOYAKTVCPISW-UHFFFAOYSA-N 433.537 3.517 0 40 IHAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)c1 10441645 DYEQQYMWIRFBIK-CQSZACIVSA-N 438.933 3.618 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)c(C)c1 10446834 NXUYWDPDWMOTPY-UHFFFAOYSA-N 438.933 3.538 0 40 IHAB CN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)COC(=O)C1CCCCC1 10626992 MQXIVLGPYIXOAL-UHFFFAOYSA-N 436.574 3.702 0 40 IHAB COc1ccc(-c2nc(CCNS(=O)(=O)c3ccc(C(C)=O)cc3)cs2)cc1OC 11758717 STWBFRBJWQVKCC-UHFFFAOYSA-N 446.550 3.551 0 40 IHAB CCn1ncc(S(=O)(=O)N2[C@@H]3CC[C@@H](C3)[C@@H]2COc2cccc(C(F)(F)F)c2)c1C 12085334 JKCFMHKYXRRNTE-LESCRADOSA-N 443.491 3.851 0 40 IHAB Cc1cc(-c2cc(=O)n([C@@H](C)C(=O)Nc3cc(C)on3)nc2-c2ccc(C)s2)on1 12156578 OLZGFISNOFQPJP-ZDUSSCGKSA-N 425.470 3.740 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NCCCCOc2ccc(F)cc2)c1 12392566 CGVUNRFAJJMPLR-UHFFFAOYSA-N 436.549 3.754 0 40 IHAB Cc1ccc(N2C(NC3=NC4=Nc5ccccc5C4=N3)=N[C@]23C(=O)Nc2ccccc23)cc1C 12407278 IXPAHXMTOBNOIM-SANMLTNESA-N 445.486 3.777 0 40 IHAB CCN(CC(=O)Nc1ccccc1OC)C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O 12797176 JMCQUAWJSMUOQT-GOSISDBHSA-N 447.944 3.639 0 40 IHAB O=C(NCc1ccccc1)[C@H](c1c(F)cccc1Cl)N(C(=O)c1csnn1)C1CC1 12873159 RHHBZDRNIGURAK-IBGZPJMESA-N 444.919 3.993 0 40 IHAB CCCOc1ccc2ccccc2c1CN(C)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C 12897011 YJUGTHHVDGLMCY-UHFFFAOYSA-N 440.521 3.894 0 40 IHAB Cc1c(Cl)cccc1NC(=O)CNC(=O)CN(C)Cc1ccc(C(F)(F)F)cc1 12902305 BTKIMSVJYUQOQY-UHFFFAOYSA-N 427.854 3.854 0 40 IHAB CS(=O)(=O)c1ccc(S(=O)(=O)N(CCc2cccs2)Cc2cccs2)cc1 12903401 JFKBAPFSERIRPO-UHFFFAOYSA-N 441.621 3.647 0 40 IHAB Cc1ccc(NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)cc1I 12923227 LJGVSQBSKBRNRY-UHFFFAOYSA-N 448.260 3.501 0 40 IHAB O=C(OCc1c(Cl)cccc1Cl)[C@@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 13028291 LQRHXVLASXBIBM-INIZCTEOSA-N 439.320 3.650 0 40 IHAB COc1ccc([C@@H]2C[C@]3(CC(C)(C)NC(=S)N3)Oc3cc(O)cc(C)c32)cc1OC 13521674 BTCOZNHGOKWHSS-QMHKHESXSA-N 428.554 3.975 0 40 IHAB COCc1nn2c3c(nnc2c1-c1ccccc1OC)C(=O)C[C@@H](c1ccccc1O)C3 14607752 BHTVXHPQTPOBHT-AWEZNQCLSA-N 430.464 3.565 0 40 IHAB COc1cccc(CC(=O)N2Cc3ccccc3OC3(CCC(N(C)C(C)=O)CC3)C2)c1 19016322 DSECLTNNDHOCOI-UHFFFAOYSA-N 436.552 3.819 0 40 IHAB Cc1ccc(O[C@@H](C)C(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[nH]3)CC2)cc1C 19214141 IKXKUGVNWPLGFF-INIZCTEOSA-N 438.553 3.684 0 40 IHAB COc1ccc(OC)c(CN2CCN(C)C(=O)[C@H](Cc3ccccc3-c3cccnc3)C2)c1 19589632 UNHZUMNORAFPPK-HSZRJFAPSA-N 445.563 3.899 0 40 IHAB Cc1cccc(CN2CCC(N3C(=O)NC4(CCN(Cc5ccccc5)CC4)C3=O)CC2)c1 19699454 ZVFYXZLOMZXEOX-UHFFFAOYSA-N 446.595 3.546 0 40 IHAB Cc1nc([C@H]2CCCCN2C(=O)c2cc(C(C)C)n[nH]2)nc2c1CCC(=O)N2CC1CC1 19740800 LGBFQRSAJZRKSI-HXUWFJFHSA-N 436.560 3.688 0 40 IHAB CN(c1ccc(OCC(=O)Nc2ccc(F)cc2F)cc1)S(=O)(=O)c1ccccc1 19937831 BFNPLTDTWJFHGU-UHFFFAOYSA-N 432.448 3.807 0 40 IHAB CCC(=O)Nc1cc(S(=O)(=O)N[C@H](C)c2ccc(Br)cc2)ccc1OC 20025223 IYERQNXGAYFBPH-GFCCVEGCSA-N 441.347 3.846 0 40 IHAB O=C(NCCCc1ccccc1)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 20112283 OQTRXOIITMTWDW-UHFFFAOYSA-N 434.989 3.631 0 40 IHAB O=C(Cn1c2ccccc2c2ncn(Cc3ccccc3Cl)c(=O)c21)NCc1ccco1 21353635 LTXMDCHFTSHKMS-UHFFFAOYSA-N 446.894 3.962 0 40 IHAB COc1cc(CN(C)CN2C(=O)NC3(CCCCC3)C2=O)ccc1OCc1ccccc1 23805615 JNVJYSQNVYHIDC-UHFFFAOYSA-N 437.540 3.918 0 40 IHAB O=C1CSc2ccc(C(=O)Nc3nc(-c4ccc5c(c4)OCCO5)cs3)cc2N1 29169666 ZFFFVPKHKDSMCL-UHFFFAOYSA-N 425.491 3.878 0 40 IHAB COc1ccc(C)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 30755446 MUONWUJFJCAMQL-HXUWFJFHSA-N 430.570 3.617 0 40 IHAB CN(C)Cc1ccc(-c2ccccc2CNC(=O)CCN2C(=O)COc3ccccc32)cc1 31078109 BUADPDMQGGNUEY-UHFFFAOYSA-N 443.547 3.847 0 40 IHAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)CSc2nnnn2-c2ccccc2)cs1 32837556 LKRKOPSLRAPWBZ-UHFFFAOYSA-N 434.550 3.776 0 40 IHAB C[C@@H](OC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1)C(=O)c1cccc(Cl)c1 32842634 XKHSMXYZRPQDSW-HIFRSBDPSA-N 441.958 3.617 0 40 IHAB O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)Nc1nc(CN2CCCCC2)cs1 32889377 OVCQRJYSGPJHJZ-UHFFFAOYSA-N 427.357 3.804 0 40 IHAB Cc1ccc(NC(=O)Cn2nc3c4cc(-c5ccc(C)c(C)c5)nn4ccn3c2=O)cc1C 38487214 GOKKLAMXPCEWGH-UHFFFAOYSA-N 440.507 3.683 0 40 IHAB CCN(CC(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(Br)cc1 39985335 HXPBDHXERKUQLB-UHFFFAOYSA-N 449.729 3.891 0 40 IHAB O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)Nc1ccc(Oc2ccccc2Cl)cc1 40023416 ZAXKRYWMPVHQMY-UHFFFAOYSA-N 441.871 3.804 0 40 IHAB Cc1ccc(-n2c(SCc3nccn3Cc3ccccc3)nnc2N2CCOCC2)cc1 40067321 YYHQXJJVHIEGPV-UHFFFAOYSA-N 446.580 3.949 0 40 IHAB Cc1nc(-c2nnn(-c3ccccc3)c2C)sc1C(=O)N1CCN(c2ccccc2)CC1 49002348 ZCMNINOUHWPMDB-UHFFFAOYSA-N 444.564 3.970 0 40 IHAB COc1cc([C@H]2CC(=O)N(c3cccc(F)c3)c3c2sc(=O)n3C)cc(OC)c1OC 49547552 AOOUBGFHDDBGOL-OAHLLOKOSA-N 444.484 3.812 0 40 IHAB O=C(Cn1nc(-c2ccccc2Cl)ccc1=O)N1CCN(c2cccc(Cl)c2)CC1 49547765 ABFHUGWAWGRGKI-UHFFFAOYSA-N 443.334 3.566 0 40 IHAB CSc1cccc(NC(=O)Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3ccccc32)c1 51357834 KKFXNSCHEFZHBP-UHFFFAOYSA-N 449.507 3.711 0 40 IHAB Cc1cccc(Cl)c1NC(=O)Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21 57428921 RDFKQFWCLRGROJ-UHFFFAOYSA-N 425.897 3.814 0 40 IHAB CC(=O)CCc1ccc(OC[C@@H](O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)cc1 58614961 LYKURXLFZYDTFQ-INIZCTEOSA-N 435.307 3.665 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)NC[C@H](C)N3CCC(C)CC3)c2)c1 60156563 BSMWRQOIBUXZLF-FQEVSTJZSA-N 443.613 3.954 0 40 IHAB Cc1cccc(-n2c(=O)c3sccc3n(Cc3ccc(N4CCCC4=O)cc3)c2=O)c1 67258131 OYCFPAVAKAINCJ-UHFFFAOYSA-N 431.517 3.697 0 40 IHAB Cc1cccc(NC(=O)Cn2c(-c3ccc(Cl)cc3)nc(C)c(CCO)c2=O)c1C 67300657 GGXBEQRMJRYSEY-UHFFFAOYSA-N 425.916 3.662 0 40 IHAB Cc1c(C(=O)Nc2ccc(F)cc2)nnn1-c1cccc2c1CCN(Cc1cccnc1)C2 69950790 ZUSXYVKIXUJWBZ-UHFFFAOYSA-N 442.498 3.920 0 40 IHAB COc1cccc2sc(N(C)CC(=O)NCc3ccccc3OC(F)(F)F)nc12 70973460 CHNXJRLCTGHMMV-UHFFFAOYSA-N 425.432 3.956 0 40 IHAB O=S(=O)(c1cncc(Br)c1O)N(Cc1ccccc1)Cc1ccccc1 72210949 QKOXWPABUSOLHD-UHFFFAOYSA-N 433.327 3.941 0 40 IHAB CCSCc1nc(O)c2nnn(C3CCN(CC[C@H](C)c4ccc(C)o4)CC3)c2n1 72337398 PNMACBSPGJZCLT-AWEZNQCLSA-N 430.578 3.912 0 40 IHAB Cc1ccc([C@H]2c3c(-c4ccc(Br)cc4)nnc(O)c3Nc3nnnn32)cc1 112000091 CQPXRYPEQHNPKL-KRWDZBQOSA-N 436.273 3.601 0 40 IHAB CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCC(C)CC2)c1)c1ccc(OC)cc1 113957497 JJINNHFYMXYACX-JOCHJYFZSA-N 430.570 3.997 0 40 IHAB CCOc1ccc(NC(=O)[C@H](CC)N(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)cc1 220745988 DYOVYPHKUJXIAG-SFHVURJKSA-N 440.949 3.931 0 40 IHAB CC(C)CSc1nnc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)s1 222805135 AGMQASMKGKHFPX-UHFFFAOYSA-N 434.996 3.588 0 40 IHAB COCCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(OC)cc1OC 224801300 RCMYOCLPQUHTHC-FGZHOGPDSA-N 438.553 3.724 0 40 IHAB Cc1ccc(N(CC(=O)Nc2nnc(-c3ccccc3)s2)S(C)(=O)=O)cc1Cl 225535558 QNPQJMLFIPJCKH-UHFFFAOYSA-N 436.946 3.572 0 40 IHAB CS(=O)(=O)c1ccc(CCC(=O)Nc2ccc3c(c2)N(C(=O)C2CCCC2)CC3)cc1 225615692 APXYDLDYCXAAHW-UHFFFAOYSA-N 440.565 3.741 0 40 IHAB Cc1nc(-c2cccc(NC(=O)CN(CCc3ccccc3)S(C)(=O)=O)c2)cs1 226060345 QJSZVTZERBALHY-UHFFFAOYSA-N 429.567 3.561 0 40 IHAB COc1cc2oc(=O)c(CC(=O)NC[C@H]3CCCN4CCCC[C@@H]34)c(C)c2cc1Cl 229704610 PMNRCGAXPRATRG-BEFAXECRSA-N 432.948 3.687 0 40 IHAB NC(=O)CC1(COc2ccc(F)cc2)CCN(C(=O)c2ccccc2Br)CC1 257283890 PAIKJVIDIFGKEA-UHFFFAOYSA-N 449.320 3.765 0 40 IHAB COc1cccc(-c2ccc3nc([C@H]4CCCN(Cc5cnn(C)c5)C4)nn3c2)c1OC 306132176 LAXANGJXHGJGNR-IBGZPJMESA-N 432.528 3.527 0 40 IHAB CC(C)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1 408600380 ALWUTBGGJLDWCQ-CYBMUJFWSA-N 430.448 3.798 0 40 IHAB Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)cc2)c(C)c1 408669497 WFZZZWYYVJVABC-HTUUBCJYSA-N 446.503 3.634 0 40 IHAB CS(=O)(=O)N(CC(=O)NCCSCc1ccc(Cl)c(Cl)c1)c1ccccc1 408926019 MUKKIHVKQYVIAP-UHFFFAOYSA-N 447.409 3.809 0 40 IHAB COCCNC(=O)Cn1cc(/C=C2\SC(=O)N(c3ccc(C)cc3)C2=O)c2ccccc21 409136465 ZBLSOIBUEHPPEP-BKUYFWCQSA-N 449.532 3.953 0 40 IHAB CC1(C)C(=O)N(C[C@](C)(O)C(=O)N2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)c2ccccc21 504139322 YOUPJSNQVRWDAP-GNMOFYLKSA-N 430.548 3.909 0 40 IHAB CC(C)n1cccc1CNC(=O)CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12 524730155 XOEIOMABOHYAEE-QHCPKHFHSA-N 428.492 3.500 0 40 IHAB biogenic Cc1nc(C(=O)N[C@@H]2C[C@H]3CCC(C)(C)c4cccc2c43)nn1-c1n[nH]c(C(F)(F)F)n1 540714599 YMFORQWFTTZDBP-BXUZGUMPSA-N 445.449 3.742 0 40 IHAB C[C@H]1c2cc(Cl)c(Cl)cc2CCN1S(=O)(=O)c1ccc2nc(O)nc(O)c2c1 560847915 PZDYYDNTRWFOPD-VIFPVBQESA-N 440.308 3.656 0 40 IHAB O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1C(=O)C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 1573050 BQGRZAMFLVOAEU-ZDUSSCGKSA-N 446.073 3.997 0 40 IHAB O=C(Nc1nc(-c2ccccc2)cs1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 3191379 STRYGTYNNDHPDP-KRWDZBQOSA-N 427.551 3.850 0 40 IHAB COc1cccc(Nc2nnc(S[C@H](C)C(=O)NCc3ccc4c(c3)OCO4)s2)c1 3439491 MDOIAALFRMXURQ-GFCCVEGCSA-N 444.538 3.816 0 40 IHAB O=C(COC(=O)c1ccccc1C(=O)c1ccc2c(c1)OCCO2)NCCC1=CCCCC1 3509704 YCIMGQYFDOSVNH-UHFFFAOYSA-N 449.503 3.852 0 40 IHAB CCCN(CCC)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2N2CCOCC2)c1 3560377 WWXHQORBZHPDKT-UHFFFAOYSA-N 445.585 3.586 0 40 IHAB COc1ccc(-c2c(C)c3cc(OC(=O)N4CCOCC4)ccc3oc2=O)cc1OC 8601389 UTUKSNZNRSMPER-UHFFFAOYSA-N 425.437 3.617 0 40 IHAB biogenic COc1cc(CN(C[C@@H]2CCCO2)C(=O)COc2ccc(Cl)cc2)cc(OC)c1OC 8869924 FQNXTTHMONTCPJ-IBGZPJMESA-N 449.931 3.952 0 40 IHAB CNC(=O)NC(=O)[C@H](C)Sc1nc(-c2ccc(Br)cc2)nc2ccccc12 8985167 QLLGHOQSOKIJMQ-NSHDSACASA-N 445.342 3.996 0 40 IHAB O=C(CSc1nnnn1-c1ccc(O)cc1)Nc1ccc(OCc2ccccc2)cc1 9056213 SECPWYDAFSKXHA-UHFFFAOYSA-N 433.493 3.678 0 40 IHAB CN(C)S(=O)(=O)c1ccc(NCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 9120195 OVYIDTQWOUKPGB-UHFFFAOYSA-N 435.855 3.660 0 40 IHAB Cc1ccc(NC(=O)CSc2nnc(-c3cc(-c4ccc(F)cc4)n[nH]3)n2N)cc1C 9187310 YVBIYWWFHJAGLP-UHFFFAOYSA-N 437.504 3.536 0 40 IHAB COc1ccc(CN(C(=O)/C=C/c2ccccc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1OC 9459311 VNGSUZZIXHIUPE-XSFOEPMVSA-N 449.956 3.586 0 40 IHAB CC[C@H](NC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O)c1ccc(Br)cc1 9647574 SMPDSUJLCHAFTL-ZSOFBXJNSA-N 436.350 3.517 0 40 IHAB Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1C(=O)NC1CCCC1 9691123 CASWUECFTAOUFV-UHFFFAOYSA-N 449.580 3.809 0 40 IHAB CN1CCN(c2ccccc2NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)CC1 9789700 UPEYAJRPWPDDFB-UHFFFAOYSA-N 429.520 3.687 0 40 IHAB Cc1cccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(O)n2)c1 9909006 LBMWBEVUZHFCLS-UHFFFAOYSA-N 449.941 3.708 0 40 IHAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)C1=O 10216242 BEOBPJAKMHNDBA-LMKMVOKYSA-N 437.515 3.739 0 40 IHAB Cc1ccc(-n2ncc3c(=O)n(NC(=O)COc4ccc5ccccc5c4)cnc32)cc1C 10252101 CLVNKQMWJSQBKN-UHFFFAOYSA-N 439.475 3.501 0 40 IHAB COc1cc(NC(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)c(OC)cc1Cl 10338479 ADTWSILBSBGBKR-CQSZACIVSA-N 440.949 3.767 0 40 IHAB Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1 11422703 VSZCYODJKYHURL-UHFFFAOYSA-N 429.586 3.835 0 40 IHAB COc1ccc(CCN2CC3=C(C2=O)[C@H](c2ccc(Cl)c(Cl)c2)NC(=O)N3)cc1 11665703 BNHYKDGNGPKGSN-IBGZPJMESA-N 432.307 3.695 0 40 IHAB Cc1cccc(C(=O)OCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1O 11711889 SUVGGVBSBBZVQJ-KRWDZBQOSA-N 432.476 3.987 0 40 IHAB CCOc1ccccc1NC(=O)CSc1ncnc2c1nnn2Cc1ccccc1F 11758527 TXCYICYNBVPLBF-UHFFFAOYSA-N 438.488 3.538 0 40 IHAB COc1ccc(OC)c(CC(=O)N2CCC(c3nc(C)ncc3-c3ccncc3)CC2)c1 12088667 URUGRHDSIHQWIU-UHFFFAOYSA-N 432.524 3.813 0 40 IHAB CCOc1ncc([C@@]2(O)CCC[C@H]3CN(Cc4cc(F)cc(F)c4)C[C@@H]32)c(OCC)n1 12233425 HEGQRLOIFZGHRL-GRWTVWFQSA-N 433.499 3.672 0 40 IHAB Cc1cccc(C)c1OC[C@H](O)Cn1c(CC(=O)NCc2ccccc2)nc2ccccc21 12535466 NLLIYCOPPYZEHP-JOCHJYFZSA-N 443.547 3.952 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)CSc1nnc2c3c(C)c(C)sc3ncn12 12640629 NSSYXHYKMWZGKZ-UHFFFAOYSA-N 441.538 3.863 0 40 IHAB CCn1c(Cc2ccccc2)nnc1SCC(=O)N1c2ccccc2NC(=O)C[C@H]1C 12678827 NAHGAVJRGMIOGK-MRXNPFEDSA-N 435.553 3.745 0 40 IHAB COC(=O)C1=C(C)N(c2ccc3c(c2)OCO3)C(=O)N[C@H]1c1ccc(Br)cc1 12894495 BLKACTIZOSTUCM-SFHVURJKSA-N 445.269 3.896 0 40 IHAB CC(C)(C)c1ccc(OC[C@H](O)CN2C(=O)N[C@](C)(c3ccc4c(c3)CCC4)C2=O)cc1 12922078 ZHVJKNLCKXISMY-QFQXNSOFSA-N 436.552 3.680 0 40 IHAB O=C(CCCC(=O)N(CC(=O)NC1CCCCC1)c1cccc(F)c1)Nc1ccccn1 13027731 AOPUUAQEWFAHNZ-UHFFFAOYSA-N 440.519 3.812 0 40 IHAB Nn1c(Cc2cccc3ccccc23)nnc1S[C@H](C(=O)NC1CC1)c1ccccc1 13119796 ILTSTCSLAKJGPL-QFIPXVFZSA-N 429.549 3.848 0 40 IHAB Cc1oc2c3c(ccc2c(=O)c1-c1ccc(Cl)cc1)OCN([C@H]1CCS(=O)(=O)C1)C3 13692681 DOGGGXRDGGCNEM-INIZCTEOSA-N 445.924 3.761 0 40 IHAB biogenic O=C(COc1ccc2nc3n(c(=O)c2c1)CCCCC3)Nc1ccc(Br)cc1 13693198 LMCHMMUMWHCXEK-UHFFFAOYSA-N 442.313 3.903 0 40 IHAB O=C1c2ccccc2C(=O)N1CCSc1nnc(-c2ccccc2Br)o1 13985726 CQRNNPIOOVEPPU-UHFFFAOYSA-N 430.283 3.887 0 40 IHAB O=S(=O)(Cc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 14291491 SNZMBLMEEMIXAC-UHFFFAOYSA-N 443.959 3.539 0 40 IHAB CS(=O)(=O)N1CCc2cc(C(=O)N3CCC[C@H](c4nc5ccccc5s4)C3)ccc21 15020716 XUNUYWWGGQUTEH-KRWDZBQOSA-N 441.578 3.638 0 40 IHAB CC(C)C[C@@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2ccc(F)cc2)o1 15996827 VHQFEOKLKPIXQD-OAHLLOKOSA-N 427.498 3.795 0 40 IHAB COc1ccc(NC(=O)Cn2nc(-c3ccccc3OC)n(-n3cccc3)c2=S)cc1 16807094 AERHPYSJSIVKOQ-UHFFFAOYSA-N 435.509 3.850 0 40 IHAB O=C([C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Cl)cc1)N1CCCCC1 17320503 SVKLZVIIPWYADX-NRFANRHFSA-N 445.972 3.723 0 40 IHAB biogenic COCCn1c(S[C@H](C(=O)N(C)C)c2ccccc2)nc2cc(Cl)ccc2c1=O 17674163 LSHRUCVVEFSMCY-SFHVURJKSA-N 431.945 3.618 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 17824404 UKCAEXIRUTXJBH-LJQANCHMSA-N 430.508 3.549 0 40 IHAB Cc1cc(-c2cnc(NCCNC(=O)c3cc(C4CC4)n[nH]3)nc2-c2ccc(C)s2)on1 19217421 YZBIVWYWCYWKRM-UHFFFAOYSA-N 449.540 3.919 0 40 IHAB COc1ccc([C@H]2N(C(=O)c3ccc4c(c3)nc(C)n4C)CCC[C@]23CCC(=O)N3)cc1 19286525 KTIXQXMRLRQYQT-NOZRDPDXSA-N 432.524 3.516 0 40 IHAB COc1c(C)cccc1C(=O)NC(=S)Nc1cccc2c1C(=O)N(c1ccccc1)C2=O 19643426 IKJLYWFHWBKKSR-UHFFFAOYSA-N 445.500 3.931 0 40 IHAB CCN(CC(=O)N[C@H](C)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930376 FHWVZVPPNPQVKG-CYBMUJFWSA-N 445.368 3.890 0 40 IHAB COc1ccccc1-c1nnc(SCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)n1N 20051103 FLPPPXUIAWFXND-OAHLLOKOSA-N 437.569 3.516 0 40 IHAB COC(=O)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1Cl)C(C)C 20727486 LCCQVBGVFQQFLS-DOTOQJQBSA-N 425.316 3.571 0 40 IHAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(C2CC2)n1Cc1ccco1 21097266 UDURIJJVANZIFY-CQSZACIVSA-N 437.525 3.653 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C)c2)c2ccccc2F)cc1 22395933 FBFUUDNOZCZHAZ-UHFFFAOYSA-N 442.512 3.654 0 40 IHAB CCN(CC)[C@H](CNC(=O)C[C@@H]1Sc2ccccc2NC1=O)c1cccc(OC)c1 22700918 DBCOHNAFJVEPFS-CTNGQTDRSA-N 427.570 3.697 0 40 IHAB CC[C@@H](C(=O)NCc1ccccc1)N1CCN(Cc2ccc(Br)s2)CC1 22929865 YRQSDQYBOOQLFU-SFHVURJKSA-N 436.419 3.723 0 40 IHAB O=C(NCc1ccc(COCC(F)(F)F)cc1)[C@@H]1CCCN(C(=O)c2cccs2)C1 23023413 GTHIDRQYISSENG-QGZVFWFLSA-N 440.487 3.996 0 40 IHAB COc1ccc(OC)c(CN2CCN(C(=O)c3cc(C4CC4)nn3-c3ccccc3)CC2)c1 23909069 ZSOSMMQICVCOMJ-UHFFFAOYSA-N 446.551 3.725 0 40 IHAB Cc1cc(N2CCN(C(=O)Cc3csc(-c4ccsc4)n3)CC2)nc(C(C)C)n1 24219563 GAYAEQMVHWNWLG-UHFFFAOYSA-N 427.599 3.985 0 40 IHAB CCOc1ccc(CCC2CCN(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)cc1 25054148 CLTDROJMIZZHKD-UHFFFAOYSA-N 431.558 3.609 0 40 IHAB CCCCN(CC(=O)c1[nH]c(C)c(C(=O)OCC)c1C)Cc1nc2ccccc2c(=O)[nH]1 25400248 AHMDXPFSPCWQQP-UHFFFAOYSA-N 438.528 3.530 0 40 IHAB Cc1cc2nc(N3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)c3ccccc3n2n1 26696877 CUIKNRGMJJSCIM-UHFFFAOYSA-N 429.480 3.775 0 40 IHAB CN1C(=O)c2cccc3c(S(=O)(=O)N(Cc4ccco4)C(=O)c4ccco4)ccc1c23 27302911 DZVOVRVFDNZHQK-UHFFFAOYSA-N 436.445 3.647 0 40 IHAB CCn1cc(Br)c(C(=O)Nc2nn(Cc3ccc(F)cc3)cc2Cl)n1 28231164 WEOHGZXLBHIZTN-UHFFFAOYSA-N 426.677 3.955 0 40 IHAB C[C@H]1CCc2cc(-c3nnc(SCC(=O)Nc4sccc4C(N)=O)o3)sc2C1 28616817 ZQEJMAVTQDFODE-VIFPVBQESA-N 434.568 3.814 0 40 IHAB COc1ccc(OC)c(CN2CCN(C(=O)CCCc3nc4ccccc4s3)CC2)c1 30108778 FYRPWQRKSNJPAY-UHFFFAOYSA-N 439.581 3.981 0 40 IHAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 30859986 ATGFKCAISRRXHR-SFHVURJKSA-N 446.916 3.727 0 40 IHAB CCc1ccc([C@H](CNC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2ccco2)N(C)C)cc1 32734513 FJWCXDLZTIXRDF-ZEQRLZLVSA-N 445.563 3.828 0 40 IHAB CCc1ccc(OCC(=O)Nc2ccc(OCc3cc(=O)n4oc(C)cc4n3)cc2)cc1 35378606 BXGDKLDAPYHEHW-UHFFFAOYSA-N 433.464 3.755 0 40 IHAB O=C(CCCOc1cccc2ccccc12)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 40129744 GUUUPKFXUFMKFS-LJQANCHMSA-N 427.522 3.808 0 40 IHAB COc1ccc(Br)c(C(=O)NCC2CCN(C(=O)/C=C/c3ccco3)CC2)c1 44002190 XDYYDNHTOIWEPX-FNORWQNLSA-N 447.329 3.733 0 40 IHAB COC(=O)c1ccccc1NC(=O)CN1CCC(c2nc(-c3cccc(C)c3)no2)CC1 49403223 XRNGRIYVAHJXPO-UHFFFAOYSA-N 434.496 3.650 0 40 IHAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1nc(-c2ccccc2)oc1C 58156738 WJKMAQJCWFJGLH-HSZRJFAPSA-N 430.508 3.537 0 40 IHAB COc1cc(CNC(=O)Nc2ccc(N3CCSCC3)cc2C)cc(OC)c1OC 58297971 DIAYCZUNFOBKLG-UHFFFAOYSA-N 431.558 3.896 0 40 IHAB C[C@@H]1CN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(F)cc3)c2)[C@H](C)CO1 58703176 YNIRCSWYXWRPTD-CHWSQXEVSA-N 426.897 3.529 0 40 IHAB CCc1ccc(CNC(=O)C2=NN(c3ccc(C)cc3)c3ncccc3S2(=O)=O)cc1 67244897 HRPILAFNQUFHSQ-UHFFFAOYSA-N 434.521 3.508 0 40 IHAB Cc1ccc(NC(=O)NCC(C)(C)C[C@H](C)O)cc1NC(=O)NCC(C)(C)C[C@H](C)O 72304720 RUXHQGARJRMQIH-IRXDYDNUSA-N 436.597 3.832 0 40 IHAB COCCNC(=O)c1sc2ccccc2c1[C@H]1CCN(C(=O)c2scnc2C)C1 72352462 BPBPTDUMDOIQDO-AWEZNQCLSA-N 429.567 3.672 0 40 IHAB COc1ccc(CC(=O)N2CCC[C@@H](c3nc(C)c4c(n3)N(CC3CC3)CCC4)C2)cc1 72380182 YVZMVELVOQBTKS-OAQYLSRUSA-N 434.584 3.905 0 40 IHAB CN(C)C(=O)[C@@]1(Cc2ccc(-c3ccc(F)cc3)cc2)CN(C(=O)C(C)(C)C)CCO1 72389327 ODHSZKVLDSSSOP-RUZDIDTESA-N 426.532 3.767 0 40 IHAB CCn1ccnc1CN1CCN(C(=O)c2ccc(OC3CCCC3)c(OC)c2)C[C@H]1C 78806575 UWOJLEBKPKSBKO-GOSISDBHSA-N 426.561 3.580 0 40 IHAB O=C(NC[C@H](NCOCc1ccccc1)C(=O)O)OCC1c2ccccc2-c2ccccc21 82046921 XWNAJKDUOSYULO-DEOSSOPVSA-N 446.503 3.742 0 40 IHAB COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC(OCCCO)CC2)cc1Cl 83953084 NZMSCUKIJFURAL-JOCHJYFZSA-N 432.948 3.892 0 40 IHAB O=C1[C@@H]2[C@@H](c3ccccc3)c3sc(=O)[nH]c3S[C@H]2C(=O)N1c1ccc(Cl)cc1 85396584 WJWCKMBMZIMZKF-IIAWOOMASA-N 428.922 3.886 0 40 IHAB CCOC(=O)[C@H]1C[C@@H]2C(Cl)=C[C@@]13[C@@H]1Cc4ccc(OC)c5c4[C@@]3(CCN1C)[C@]2(C)O5 100393661 QFJCSTJNJZNCPB-XSFKEEPXSA-N 429.944 3.666 0 40 IHAB biogenic,in-vitro O=C(O)c1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4F)N(c4ccccc4)O[C@H]3C2=O)cc1 102763069 MDYBRCHPMKMXDC-PWRODBHTSA-N 432.407 3.575 0 40 IHAB CC(=O)O[C@H]1C[C@]2(C)[C@@H](C(C)=O)CC[C@H]2[C@@H]2CC[C@@H]3CC4(CC(=O)[C@]3(C)[C@@H]12)OCCO4 118917249 RUQBPCMPFRJFIH-YRSLNNHCSA-N 432.557 3.698 0 40 IHAB CC[C@@H](C(=O)Nc1ccccc1C(=O)NC(C)C)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220569448 FIXCHXCVJSKNDW-NRFANRHFSA-N 445.585 3.625 0 40 IHAB CS(=O)(=O)N(CC(=O)NCCSC1CCCC1)c1ccc(Cl)cc1Cl 222983995 FDUBJGGVNYCPHF-UHFFFAOYSA-N 425.403 3.551 0 40 IHAB CCCN1C(C)=NS(=O)(=O)c2cc(C(=O)Nc3cc(-c4cccc(F)c4)[nH]n3)ccc21 223115113 KKRZZZMZTLHMEB-UHFFFAOYSA-N 441.488 3.805 0 40 IHAB CCOc1ccccc1N(CCCC(=O)N[C@@H](C)c1ccc2c(c1)CCC2)S(C)(=O)=O 223239112 IESKEYBPAPMPDL-SFHVURJKSA-N 444.597 3.998 0 40 IHAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2Cc2cccnc2)N1Cc1cccnc1 223454446 PVHKPIZKPZPVOL-GOTSBHOMSA-N 426.549 3.894 0 40 IHAB CC[C@@H]1CCCCN1CCCNC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 224110156 ANRBIKGCCDYXRT-OAQYLSRUSA-N 443.613 3.896 0 40 IHAB COC(=O)c1cc(S(=O)(=O)NCCCc2cccc(OC(C)C)c2)ccc1Cl 224622623 ZUTOMYIVMXASPL-UHFFFAOYSA-N 425.934 3.825 0 40 IHAB CCOC(=O)N1CCN(C(=O)c2ccccc2-c2ncc(-c3cccc(OC)c3)o2)CC1 224903506 RNRRVPZDSIWXAB-UHFFFAOYSA-N 435.480 3.932 0 40 IHAB CS(=O)(=O)N(CCCC(=O)Nc1nnc(-c2ccccc2)s1)c1ccc(F)cc1 225052545 FEHUOYZYZVRRRO-UHFFFAOYSA-N 434.518 3.529 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=S)N[C@H](C)c1ccc(F)cc1 225211347 KMOKCMNIVUBLFX-CQSZACIVSA-N 437.562 3.666 0 40 IHAB CCc1ccc(N([C@@H](C)C(=O)Nc2nnc(SCC(C)C)s2)S(C)(=O)=O)cc1 225725952 GEURCVDWYSPDSF-ZDUSSCGKSA-N 442.632 3.642 0 40 IHAB O=c1sc2cc(S(=O)(=O)NCCCc3ccco3)ccc2n1Cc1ccccc1 225752474 LGJAUACOBWDXNE-UHFFFAOYSA-N 428.535 3.615 0 40 IHAB O=C1NCCN(C(=O)c2nc3ccc(F)cc3[nH]2)[C@H]1Cc1ccccc1-c1ccc(F)cc1 257260938 LFDPLPFRBWYZKM-QFIPXVFZSA-N 446.457 3.691 0 40 IHAB Cc1noc(C)c1CCC(=O)N1CCC(c2n[nH]cc2C(=O)N(C)Cc2ccccc2)CC1 257326983 WZISIHKODNFWLR-UHFFFAOYSA-N 449.555 3.626 0 40 IHAB COc1ccc(OC)c(CC[C@H](C)Nc2cc(-c3c4c(nn3C)CCCC4)nc(N)n2)c1 257333048 XZWSHMAQUQKOJK-HNNXBMFYSA-N 436.560 3.789 0 40 IHAB C[C@H](C(=O)Nc1cccc(Br)c1)N(c1cccc(Cl)c1)S(C)(=O)=O 408560017 XSBQFZBSDRLGMR-LLVKDONJSA-N 431.739 3.896 0 40 IHAB COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)c1 408586656 BGORMFLJXQVVFM-QGZVFWFLSA-N 440.521 3.752 0 40 IHAB COc1ccc(Cl)cc1N1C[C@H](C(=O)OCC(=O)Nc2ccc(Cl)cc2)CC1=O 408643716 CIQBNGFKLNPTHK-GFCCVEGCSA-N 437.279 3.537 0 40 IHAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCCCC2)c1 408693309 NMEJTFUXHFPLJV-UHFFFAOYSA-N 432.542 3.829 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)N(C)Cc2ccccc2)Cc2ccc(F)cc2)cc1 409062399 TVWDMKDGYMJCLF-UHFFFAOYSA-N 440.540 3.984 0 40 IHAB COc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccc(C(C)C)cc3)[C@@H]2c2ccccc2)cc1 409066954 IHRIALVAEYOSCH-DLPRSZHDSA-O 442.539 3.835 0 40 IHAB CC(C)CNC(=O)c1cccc2c1CN(Cc1ccccc1)CC(=O)NCCCCCO2 643551206 UWCLRLYSUPWPSH-UHFFFAOYSA-N 437.584 3.754 0 40 IHAB Cc1nc(N2CCC(Cn3nc(-c4sc(C)nc4C)ccc3=O)CC2)c2ccncc2n1 1888928888 YKYJAGQKDKMLQT-UHFFFAOYSA-N 447.568 3.547 0 40 IHAB O=C(NCc1ccccc1Cl)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 796815 RDKAHYLYKSUVTA-OAHLLOKOSA-N 427.353 3.711 0 40 IHAB CCc1ccccc1N(CC(=O)NCc1ccc(OC)cc1)S(=O)(=O)c1ccccc1 1104194 LIUCQDUBXSXXGN-UHFFFAOYSA-N 438.549 3.769 0 40 IHAB O=C(NC1CCCC1)[C@H](c1ccccn1)N(C(=O)c1csnn1)c1ccc(F)cc1 1356956 WBZXCLQZUDAMDH-IBGZPJMESA-N 425.489 3.519 0 40 IHAB C[C@H]1CCc2c(sc3nc(SCC(=O)c4ccc5c(c4)OCCO5)[nH]c(=O)c23)C1 1368037 TVDDODVSTQBULP-NSHDSACASA-N 428.535 3.856 0 40 IHAB CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccco3)N3CCC(C)CC3)cc2c1 1382494 OQMAZSGMQHMZGS-QFIPXVFZSA-N 432.528 3.540 0 40 IHAB CC(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](Cc3ccccc3)(c3ccccc3)C2=O)cc1 3502876 FZJLHAZUXMKHSO-SANMLTNESA-N 441.487 3.518 0 40 IHAB CCOC(=O)c1c(C)n(C)c2ccc(OC[C@H](O)CNc3ccc(OCC)cc3)cc12 6732833 IIGOYALHOSWJOX-GOSISDBHSA-N 426.513 3.914 0 40 IHAB COC(=O)c1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2ccncc2)cc1 8606662 MJEASRWGDWRNOW-QHCPKHFHSA-N 440.459 3.709 0 40 IHAB CCOc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc(F)cc3Cl)n2N)cc1 8735298 YCKGLNPMARSNSS-LLVKDONJSA-N 435.912 3.969 0 40 IHAB C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)Oc1ccc(C(=O)c3ccccc3)cc1)C2=O 8825360 FZHBRENYVYTLFP-QLXKLKPCSA-N 448.519 3.960 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(C(=O)NCCc3ccccc3F)cc2)cc1 9549050 YLKRBWLRMCDNFW-UHFFFAOYSA-N 428.485 3.608 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2nc(C)c(C(C)=O)s2)cc1 9714716 MWXVKCCSJMEAQK-UHFFFAOYSA-N 445.522 3.716 0 40 IHAB COc1ccc(C(=O)OCC(=O)Nc2ccc(Br)cc2Cl)cc1OC 10882027 WVEKYKBJZBNBKI-UHFFFAOYSA-N 428.666 3.915 0 40 IHAB CCN1C[C@@H](CN(C)C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)Oc2ccccc21 11550588 QLVVNQSBJAZTKD-HXUWFJFHSA-N 448.523 3.961 0 40 IHAB Cc1cc(NC(=O)c2ccco2)n(-c2nc(O)c3cnn(-c4cccc(Cl)c4)c3n2)n1 11695432 CYFOUWZDZGRQGO-UHFFFAOYSA-N 435.831 3.514 0 40 IHAB CC[C@H](Oc1ccccc1OC)C(=O)N1CCC(c2nc(O)cc(-c3ccccn3)n2)CC1 12241611 RFMAFOGJKXTKNS-FQEVSTJZSA-N 448.523 3.816 0 40 IHAB CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(OC)nc2)ccc1C 12522537 RMWFGJKSQPEIEQ-UHFFFAOYSA-N 425.510 3.866 0 40 IHAB Cc1ccc([C@@H](C(=O)NCc2ccco2)N(C(=O)C(=O)NC2CCCCC2)C(C)C)cc1 12641431 SBPHCWFCPRECHG-QFIPXVFZSA-N 439.556 3.631 0 40 IHAB Cc1ccc(C(C)C)c(OCC(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@@H]2CCCO2)c1 12785707 PTQHEJYQTGHNSY-IBGZPJMESA-N 449.551 3.942 0 40 IHAB CC(=O)Nc1ccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCC4)cc1Cl 12792985 TWKZWBVHBRSVGK-UHFFFAOYSA-N 430.917 3.656 0 40 IHAB Cc1cc(NC(=O)CN2CCC(C(=O)Nc3ccccc3O)CC2)ccc1Br 12795381 GBJDUEMGNFCJQP-UHFFFAOYSA-N 446.345 3.752 0 40 IHAB O=C(NCCc1ccccc1)[C@H](c1cccnc1)N(C(=O)c1csnn1)C1CCCCC1 12873848 QBABMXIBLWGJSS-QFIPXVFZSA-N 449.580 3.808 0 40 IHAB COC(=O)C[C@H](NC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1)c1cccs1 12883458 AVVPSAAQHRJAFK-IBGZPJMESA-N 448.500 3.579 0 40 IHAB COc1ccc(C)cc1-n1nnnc1SCc1cc2c(cc1Br)OCO2 13115071 VXYSRIPHMRNTQO-UHFFFAOYSA-N 435.303 3.763 0 40 IHAB Cc1ccccc1N(CC(=O)NC1CCCCC1)C(=O)CCC(=O)Nc1nccs1 13501722 KTWFOKMLKPNFNL-UHFFFAOYSA-N 428.558 3.652 0 40 IHAB Cc1ccc(NC(=O)CSC(=S)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1C 13572205 UDICMINBRYQXPT-SJORKVTESA-N 427.595 3.541 0 40 IHAB CCOc1ccccc1NS(=O)(=O)c1cc(C)n(S(=O)(=O)c2ccccc2)c1C 13585953 GTXLGIPJRPLQHF-UHFFFAOYSA-N 434.539 3.541 0 40 IHAB COc1ccc(N2C[C@@H](c3nnc(NC(=O)c4cccc(Cl)c4)s3)CC2=O)cc1 13944268 QENUBEAULAWPHY-ZDUSSCGKSA-N 428.901 3.973 0 40 IHAB O=C(CN1CCN(c2nc3ccccc3s2)CC1)Nc1ccc(OC(F)(F)F)cc1 14249498 SPLLDTDCGYOQLU-UHFFFAOYSA-N 436.459 3.956 0 40 IHAB COC(=O)c1ccccc1NC(=O)c1cccn(Cc2ccc(Br)cc2)c1=O 15882894 IUSDSTRZIZFPGY-UHFFFAOYSA-N 441.281 3.698 0 40 IHAB COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H]2CCCN2[C@@]12C(=O)Nc1ccc(F)cc12 15973409 IYERFPXIFJOEGP-WEBUEUPWSA-N 429.879 3.758 0 40 IHAB C[C@H](CCc1ccccc1)NC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 17155790 WUGCHOZHTFKLCV-HXUWFJFHSA-N 428.598 3.931 0 40 IHAB O=C(CSc1ccccn1)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 18241265 OHISMFCKXQTPNY-UHFFFAOYSA-N 425.963 3.640 0 40 IHAB O=C(CC1CCCCC1)N1CCc2nc([C@H]3CCCN3C(=O)C3CCC3)nc(O)c2C1 19014753 MJSRLJUTRVNGEC-HXUWFJFHSA-N 426.561 3.501 0 40 IHAB CC(=O)N1CCCc2cc([C@H](O)CN3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc21 19017798 BFYFUCIXTTYJIJ-HSZRJFAPSA-N 447.501 3.860 0 40 IHAB Cc1cccc(CC(=O)N2CCC[C@@H](c3nn(C)cc3-c3ccnc(N4CCCC4)n3)C2)c1 19234674 BHTNNSXVDPMLIQ-OAQYLSRUSA-N 444.583 3.734 0 40 IHAB COc1ccc(CN2CCNC(=O)[C@H](Cc3ccccc3-c3cccnc3)C2)c(OC)c1 19552444 AFVSPXJNUJQGGE-JOCHJYFZSA-N 431.536 3.557 0 40 IHAB COc1ccccc1C(=O)N1CCC([C@H]2C[C@@H](C(=O)Nc3ccc(F)cc3)CN2C)CC1 19587597 QBFQERIOPRLFFW-XMSQKQJNSA-N 439.531 3.646 0 40 IHAB Cc1cc(-c2nnc(SCc3cc(=O)n4ccsc4n3)n2C[C@H]2CCCO2)cs1 19643933 POQQMQUIZDAGMN-OAHLLOKOSA-N 445.595 3.856 0 40 IHAB CCOc1ccc2oc(C)c(C(=O)N(C)Cc3cc(NC)nc([C@@H]4CCCNC4)n3)c2c1 19709703 OQUCPECWTUSOSF-MRXNPFEDSA-N 437.544 3.711 0 40 IHAB CCn1nccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccccc2F)CC1 19747028 BCFVWOWFUPROIP-NRFANRHFSA-N 426.536 3.518 0 40 IHAB Cc1nc([C@H]2CCCCN2C(=O)CCn2c(C(C)C)nc3ccccc32)ncc1C(N)=O 19764543 ZCSHCBUVOFLNHR-HXUWFJFHSA-N 434.544 3.501 0 40 IHAB CCN(CC(=O)N[C@H](C)c1ccc(SC)cc1)S(=O)(=O)c1cc(C)ccc1OC 20014798 HCDOQMRQTBUCTI-MRXNPFEDSA-N 436.599 3.614 0 40 IHAB CC[C@H](CO)Nc1ncnc2c1sc1nc(N3CCCC3)c3c(c12)CC(C)(C)OC3 20463714 CBMUGDFCONDZCK-CYBMUJFWSA-N 427.574 3.874 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CCC(=O)N2CCc3[nH]c4ccc(OC)cc4c3C2)cc1 20761379 NLTSKJVCPXMRTG-UHFFFAOYSA-N 449.507 3.657 0 40 IHAB biogenic Cn1c(=O)c2ccccc2n2c(CN3CCc4sccc4[C@H]3c3cccs3)nnc12 21584927 LZXWJLCITMINHJ-FQEVSTJZSA-N 433.562 3.852 0 40 IHAB Cc1cc(C)c(N(CC(=O)Nc2cccc(Br)c2)S(C)(=O)=O)c(C)c1 22380443 HCXDMZWWZIOIRR-UHFFFAOYSA-N 425.348 3.779 0 40 IHAB Cc1ccc(CSCCNC(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)cc1 22384786 AUIZIVKLSJBEAC-UHFFFAOYSA-N 434.627 3.934 0 40 IHAB CCOc1ccccc1CNC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 22427848 OSKMVIGCECMOPF-UHFFFAOYSA-N 438.549 3.905 0 40 IHAB COc1ccccc1-n1cnn(CN2CCN(Cc3c(F)cccc3Cl)CC2)c1=S 22925059 FEFADXDJHISTNH-UHFFFAOYSA-N 447.967 3.980 0 40 IHAB CCn1c(SCC(=O)NCc2cccc(OC)c2)nc2c(-c3ccccc3)c[nH]c2c1=O 23119161 MIBSBSAHHBTPNG-UHFFFAOYSA-N 448.548 3.829 0 40 IHAB COc1ccc(CCNC(=O)Cc2c(C)nc(S[C@H](C)c3ccccc3)[nH]c2=O)cc1 23138698 FEYVEBKUJUCWLX-QGZVFWFLSA-N 437.565 3.842 0 40 IHAB CC[C@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(Br)c1 23744355 RUTRVUOEJCZKDB-LBPRGKRZSA-N 441.347 3.787 0 40 IHAB O=C(Nc1cccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1)[C@H]1CCCO1 25807192 MKPQUVSMFCBCGO-RBBKRZOGSA-N 436.508 3.943 0 40 IHAB Cc1c(C(=O)NCCN2CCc3ccccc3C2)cnn1-c1ccc(Br)cc1 30317486 DNVZMLPRWCOMPC-UHFFFAOYSA-N 439.357 3.731 0 40 IHAB C[C@H](NC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1)c1ccc(-n2ccnc2)cc1 32970937 YKFUYJBGOJUHLW-FDDCHVKYSA-N 440.503 3.910 0 40 IHAB O=C(c1sc2ccccc2c1Cl)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 32983331 KQFJAVJXMDFUTG-QGZVFWFLSA-N 442.924 3.679 0 40 IHAB CCn1c2ccccc2c2cc(N[C@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)ccc21 33040218 GUWGKMBNUUAPLZ-OAHLLOKOSA-N 436.537 3.901 0 40 IHAB CSCC[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1nnc2ccccn12 36367299 GKKYYNLCOIISLH-ZDUSSCGKSA-N 431.370 3.809 0 40 IHAB Cc1ccc(C)c([C@@H](C)NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 44905953 LVVSFIPKAZELRX-QRWLVFNGSA-N 436.961 3.751 0 40 IHAB COc1ccc(NC(=O)Cn2nc3c(SC4CCCCC4)nccn3c2=O)cc1Cl 49009004 IEUHKORQBLUGIE-UHFFFAOYSA-N 447.948 3.617 0 40 IHAB O=C(NCc1ccc(N2CCCC[C@@H]2CCO)nc1)c1cc(-c2ccccc2Cl)[nH]n1 57996051 OQQWNBZCIFTTQB-QGZVFWFLSA-N 439.947 3.796 0 40 IHAB CN(C[C@@H]1CCCN(C(=O)NC[C@H](c2ccco2)N2CCCC2)C1)C(=O)OC(C)(C)C 58080047 PFLAUIRUKZRSSJ-RBUKOAKNSA-N 434.581 3.705 0 40 IHAB CCN1CCN(C(=O)Cc2cccc(F)c2)[C@@H](Cc2ccccc2-c2cccnc2)C1=O 72351556 XQACATZCMOVPJM-DEOSSOPVSA-N 431.511 3.732 0 40 IHAB CC1(C)Cc2cccc(OCC(=O)NCCc3nc4c(c(C(F)(F)F)n3)CCCC4)c2O1 77101230 QBMWJDXENQFOCW-UHFFFAOYSA-N 449.473 3.825 0 40 IHAB O=C(c1cc(F)cc(Cl)c1O)N1CCN(Cc2ccc(Br)s2)CC1 78995427 WASNHLSSPGNYSV-UHFFFAOYSA-N 433.730 3.967 0 40 IHAB C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NCCCCN2CCN(c3ccccc3)CC2)c1 84687078 BBCHSWCDTLTDGD-GBXCKJPGSA-N 434.584 3.613 0 40 IHAB CCOC(=O)[C@]1(C)Oc2cc(NC(=O)c3cc(SC)ccc3Cl)ccc2NC1=O 96182240 FNMJAVSWIISFRY-HXUWFJFHSA-N 434.901 3.967 0 40 IHAB COc1ccc(CNC(=O)[C@H]2CC[C@H](Cn3cnc4ccccc4c3=O)CC2)cc1OC 101694786 AFMKHJSAGCUYNX-IZAXUBKRSA-N 435.524 3.537 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 108914453 BDPRFUKBHXABTC-CGBFIWBNSA-N 434.602 3.814 0 40 IHAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(N(CC)S(=O)(=O)CC)cc1 222395457 VISNMEWJXOXPEQ-MRXNPFEDSA-N 431.558 3.643 0 40 IHAB CC[C@H](NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C)c1ccc(OC)c(C)c1 223402070 DMGMDDXJKADVNB-FQEVSTJZSA-N 447.601 3.501 0 40 IHAB COc1ccc(S(=O)(=O)NCc2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1OC 223582547 DKAMGLLTLKOJMT-UHFFFAOYSA-N 431.514 3.530 0 40 IHAB Cc1ccc(C)c(N(CC(=O)NCCOc2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c1 223624598 VDHRBYBMLKFDRO-UHFFFAOYSA-N 432.586 3.562 0 40 IHAB C[C@H](C(=O)NCCc1ccc(F)cc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 224014692 GKEDBNKJIRGJPT-GFCCVEGCSA-N 433.332 3.646 0 40 IHAB Cc1cc(C)cc(OCCNC(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)c1 224070879 JLRFURIYQBRAEI-UHFFFAOYSA-N 445.368 3.571 0 40 IHAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1cc(OC)cc(OC)c1 225185590 PJUUADQWBGRGGZ-HSZRJFAPSA-N 442.556 3.725 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCSCc3ccccc3C)CC2)cc1 225477035 RXWWOYBCHGGMTG-UHFFFAOYSA-N 446.638 3.754 0 40 IHAB O=C(NCc1cccc2ccccc12)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 226073823 ASTGFCCZVCYREL-UHFFFAOYSA-N 426.513 3.696 0 40 IHAB COc1cccc(O[C@H]2CCN(C(=O)c3csc(Cc4ccccc4)n3)CC[C@@H]2O)c1 257230807 GEALGXRGYHGEDL-VXKWHMMOSA-N 438.549 3.787 0 40 IHAB CCNC(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCN(C(=O)c2cnccn2)CC1 257254933 KFIDTJMDKUEBAS-UHFFFAOYSA-N 428.536 3.745 0 40 IHAB O=C1O[C@]2(CCN(C(=O)c3cccc(Oc4ncccn4)c3)C2)CN1Cc1ccccc1 257322276 WFHLRJINLBFOGK-DEOSSOPVSA-N 430.464 3.506 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(OC(C)C)cc2)cc1I 408617507 DAPSMYCRIGTKSP-UHFFFAOYSA-N 447.294 3.888 0 40 IHAB CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1ccc(NC(C)=O)cc1 408637702 NISHYWXVRXUVDG-UHFFFAOYSA-N 425.514 3.663 0 40 IHAB COc1ccc(-c2nnc(CN(C)C(=O)COc3cc(C)cc(C)c3C)o2)cc1OC 408714358 PDFWVQRYEJQUDR-UHFFFAOYSA-N 425.485 3.716 0 40 IHAB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=c2/sc3nc4ccccc4n3c2=O)cc1 408756064 TVHMZKNXSUHYAH-KGENOOAVSA-N 448.525 3.533 0 40 IHAB O=C(Nc1ccc2nc3c(nc2c1)CCCC3)c1ccc(OC(=S)N2CCOCC2)cc1 408976808 SJTPDKKROVMAAZ-UHFFFAOYSA-N 448.548 3.757 0 40 IHAB CCCCNC(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1 409059876 OYIHRUSBHDYZNX-UHFFFAOYSA-N 439.375 3.556 0 40 IHAB O=C(CN1C(=O)S/C(=C\c2cccn2-c2ccc(C(=O)O)cc2)C1=O)Nc1ccccc1 409239242 CQCYFOKHMVVFQB-UYRXBGFRSA-N 447.472 3.851 0 40 IHAB Cc1cc(=O)n(-c2ccccc2)c(C)c1C(=O)N[C@H]1CC(=O)N(c2ccccc2Cl)C1 595337255 JINRPLPKCVIIJT-KRWDZBQOSA-N 435.911 3.643 0 40 IHAB CCN(CC)c1nc2sc(C(=O)N3CCNC(=O)[C@H]3c3ccccc3F)cc2s1 680131880 PXNHDVSHWNHVED-MRXNPFEDSA-N 432.546 3.656 0 40 IHAB C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnc(NC(=O)c2c(F)cccc2F)s1 1381595 RGFWAHKXNSZCQH-QWRGUYRKSA-N 426.514 3.950 0 40 IHAB CCCC[C@@H](NC(=O)COc1ccc2c(-c3ccc(OC)cc3)cc(=O)oc2c1)C(=O)O 2158716 KZZXHLPUPKWYDO-HXUWFJFHSA-N 439.464 3.607 0 40 IHAB biogenic COc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3ccco3)c(C)c2)cc1OC 2221827 TXFBAEODTYAUEY-UHFFFAOYSA-N 439.493 3.984 0 40 IHAB CC(=O)c1cccc(NC(=O)CSc2nnc([C@@H](C)N(C)C)n2-c2ccc(F)cc2)c1 2625103 MQLOSKAKPDRCEF-CQSZACIVSA-N 441.532 3.962 0 40 IHAB COc1ccccc1CNS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccccc2OC)c1 3024609 QPDCRKSOQNILJF-UHFFFAOYSA-N 444.484 3.574 0 40 IHAB O=C1COc2ccc(C(=O)COC(=O)c3ccccc3C(=O)c3ccc(Cl)cc3)cc2N1 3262954 DZLLEWWUDGQWKI-UHFFFAOYSA-N 449.846 3.942 0 40 IHAB O=C(O)c1ccc(NS(=O)(=O)c2cc(Br)ccc2Br)cc1 3288886 VFTDAHOGQNHFGU-UHFFFAOYSA-N 435.093 3.711 0 40 IHAB CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(C)c(C)c3)cc2)CC1 4109477 OONWFJGRCZHNLQ-UHFFFAOYSA-N 438.597 3.879 0 40 IHAB CCN(CC)CCn1c2c(c(SCC(=O)Nc3ccccc3C)nc1=O)CCCC2 5254357 KFDAHWRTJMZOAA-UHFFFAOYSA-N 428.602 3.503 0 40 IHAB Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)NC3CCCCCC3)n2N)c1 6551461 LRXJNWWGEQMZAO-UHFFFAOYSA-N 431.606 3.934 0 40 IHAB O=C(NCCc1c[nH]c2ccccc12)c1cccc(S(=O)(=O)N2CCCCCC2)c1 8275666 WXTUEZXQTKDHPW-UHFFFAOYSA-N 425.554 3.705 0 40 IHAB Cc1cccc(CSCCNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 8587405 AKXMNNVRJJZIBY-UHFFFAOYSA-N 446.638 3.586 0 40 IHAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)NCc1ccc2c(c1)OCO2 8861865 LICUSWJTCMCGOC-UHFFFAOYSA-N 447.520 3.899 0 40 IHAB Cc1cc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@](C)(c4ccc5c(c4)CCC5)C3=O)c2C)no1 8879592 RANOZUOKQCRGSE-VWLOTQADSA-N 446.507 3.529 0 40 IHAB CSCc1c(C(=O)OCC(=O)Nc2ccccc2C(=O)NC2CC2)oc2ccccc12 8884315 KEBSYOYQCOVIQJ-UHFFFAOYSA-N 438.505 3.984 0 40 IHAB CCc1ccccc1Nc1nc(N)nc(COC(=O)c2ccc(OC(F)F)c(OC)c2)n1 9284082 NXWASFLKNZNHSE-UHFFFAOYSA-N 445.426 3.727 0 40 IHAB O=C(NCCc1ccc2c(c1)OCCO2)c1ccccc1OCc1cn2ccccc2n1 9366917 KAVDNICXSUVIQN-UHFFFAOYSA-N 429.476 3.657 0 40 IHAB Cc1ccc(NC(=O)Cn2cnc3c(sc4nc5c(cc43)COC(C)(C)C5)c2=O)cc1 9424670 GMPXPUVDYMYZOG-UHFFFAOYSA-N 434.521 3.805 0 40 IHAB CCOc1cc(C(=O)OCC(=O)Nc2ccc(NC(C)=O)cc2)cc(OCC)c1OCC 9441421 CJMTXDOBISGCMT-UHFFFAOYSA-N 444.484 3.637 0 40 IHAB C[C@H](NC(=O)c1ccccc1NC(=O)Cn1cnc2ccccc2c1=O)c1ccccc1 9514922 NINTVRQRNVSXHG-KRWDZBQOSA-N 426.476 3.526 0 40 IHAB COc1cccc(C[C@@H]2[C@@H](O)c3ccccc3S(=O)(=O)N2Cc2ccccc2)c1OC 9531264 OQUIDDGHCQZMSD-OFNKIYASSA-N 439.533 3.553 0 40 IHAB C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CC=C(c3ccccc3)CC2)C1=O 9550374 CRJQIHIWQBTMHB-MHZLTWQESA-N 439.515 3.923 0 40 IHAB CC(C)NC(=O)NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 9664413 FAYPTWUTQNYEDM-UHFFFAOYSA-N 433.921 3.566 0 40 IHAB O=S(=O)(NCCOc1ccc(-c2ccc(F)cc2)nn1)c1ccc(C(F)(F)F)cc1 9852962 WGNJIJHWAUSMFR-UHFFFAOYSA-N 441.406 3.659 0 40 IHAB COc1ccccc1Nc1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccccc12 9970196 CBDCSRZXFALRBO-UHFFFAOYSA-N 431.477 3.863 0 40 IHAB O=C(Cc1coc2cc3c(cc12)CCC3)NCc1ccc(S(=O)(=O)N2CCCC2)s1 9991611 UFFPINDJSPGZFF-UHFFFAOYSA-N 444.578 3.626 0 40 IHAB O=C(CSc1nnc(Nc2ccccc2)s1)N1CCN(c2ccc(F)cc2)CC1 10037238 ZFFZAMDDTXBDBY-UHFFFAOYSA-N 429.546 3.862 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc4ccc(F)cc4s3)CC2)cc1 10337561 PQDJGJWIVGMKDE-UHFFFAOYSA-N 433.530 3.783 0 40 IHAB Cc1cccnc1[C@H](Cc1ccsc1)NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 12229655 QAYDTTLSLXQVSL-FQEVSTJZSA-N 441.578 3.841 0 40 IHAB COc1cc(Br)c(CC(=O)N[C@H](c2ccccc2)c2nccn2C)cc1OC 12507224 SYKUOBGFJRUDGY-HXUWFJFHSA-N 444.329 3.648 0 40 IHAB COc1ccccc1Cn1c(=O)c2ccccc2n2c(S[C@@H](C)c3nc(C)no3)nnc12 12522932 BUHOODREJCHPBR-ZDUSSCGKSA-N 448.508 3.646 0 40 IHAB COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3ccco3)nn2[C@@H]1c1cccnc1 12540366 IEBAMZHFPLGMMY-HXUWFJFHSA-N 428.452 3.869 0 40 IHAB O=C(Nc1ccccc1N1CCOCC1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 12636131 CGLWSKFJMXPSLC-UHFFFAOYSA-N 427.932 3.668 0 40 IHAB CCC1=C(C(=O)OC)[C@@H](c2ccccc2F)NC(=S)N1c1ccc2c(c1)OCCO2 12823123 XCRPMOHMFISXHK-HXUWFJFHSA-N 428.485 3.870 0 40 IHAB O=S(=O)(c1ccc(F)c(Cl)c1)N1CCN(Cc2ncc(-c3ccccc3)o2)CC1 12880344 LEGPUHKCUNSGFQ-UHFFFAOYSA-N 435.908 3.641 0 40 IHAB COC(=O)c1cnc(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)s1 12890329 LCYBCQIAXLTPSZ-UHFFFAOYSA-N 448.854 3.852 0 40 IHAB O=C(Nc1ccc2c(c1)OCCCO2)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 12919532 CJNWWFNTSGYEIH-ZDUSSCGKSA-N 431.286 3.602 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)c(C)c1 13672874 PBKZDFQJCFTWEI-UHFFFAOYSA-N 438.933 3.538 0 40 IHAB O=C(O)c1cc(S(=O)(=O)Nc2ccc(Br)cc2)ccc1Br 16100034 UHQVDLPQKBSPCC-UHFFFAOYSA-N 435.093 3.711 0 40 IHAB COC(=O)C1=C(C)N(c2ccc3c(c2)OCO3)C(=O)N[C@@H]1c1cccc(Br)c1 16517520 MKESSQVZDXRXOR-GOSISDBHSA-N 445.269 3.896 0 40 IHAB Cc1ccc(N2C[C@H](C(=O)N3CCC4(CC3)CC(=O)c3ccccc3O4)CC2=O)cc1C 16689630 MDAFYVWYEAWWBH-LJQANCHMSA-N 432.520 3.683 0 40 IHAB COc1cccc(NC(=O)Cn2nc(-c3ccccc3OC)n(-n3cccc3)c2=S)c1 16807080 FFMGDHWYZCDDKC-UHFFFAOYSA-N 435.509 3.850 0 40 IHAB COc1ccc(-c2noc(Cn3ccn4nc(-c5ccc(C)cc5)cc4c3=O)n2)cc1OC 16841968 LJJYTMXYYCIZQK-UHFFFAOYSA-N 443.463 3.587 0 40 IHAB Cc1nc(-c2ccccc2)sc1C(=O)OCC(=O)N(C)CC(=O)Nc1ccc(F)cc1 17828577 CMUVCPNBPSHVAR-UHFFFAOYSA-N 441.484 3.512 0 40 IHAB COc1cccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC[C@H](C)C[C@H]4C3=O)c2)c1 17857445 BOFQNRMVJLPPBU-IWMITWMQSA-N 435.476 3.661 0 40 IHAB CCOc1cc2c(cc1NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1C)O[C@H](C)C2 18238497 VPVVJBYERUGPLC-MRXNPFEDSA-N 446.569 4.000 0 40 IHAB O=C(c1ccc(F)cc1)N1CCC(C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)CC1 18830885 FSCXSJCMQFLQAY-UHFFFAOYSA-N 449.979 3.737 0 40 IHAB Cc1cc(-c2cnc(N3CCC[C@@H](C)C3)nc2C2CCN(C(=O)[C@@H]3CCCO3)CC2)on1 19122785 YULLLTOZTHMWHI-UZLBHIALSA-N 439.560 3.561 0 40 IHAB CCc1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)c4cnc(N(C)C)nc4)C3)noc2n1 19522005 SAUOMPORASBTPK-GFCCVEGCSA-N 448.449 3.680 0 40 IHAB CCOc1cc(CN2CCC[C@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)ccc1OC 19531956 POJORGPZLBIGKC-TXPKVOOTSA-N 439.482 3.885 0 40 IHAB CCOc1ccc(CC(=O)N2CCC[C@@H]2c2nc(N(C)C)ncc2-c2cc(C)no2)cc1 19532917 NWHXCRIQMSXUEG-HXUWFJFHSA-N 435.528 3.811 0 40 IHAB CNC(=O)c1sc2ncccc2c1[C@@H]1CN(Cc2cnn(C3CCCCC3)c2)CCO1 19703202 QNYHLCOFVXTTRN-IBGZPJMESA-N 439.585 3.931 0 40 IHAB COc1ccc(CNC(=O)c2cnc(C)nc2[C@@H]2CCCN2C(=O)c2ccccc2)cc1 19766709 OSSVAMDPDNAWMI-QFIPXVFZSA-N 430.508 3.701 0 40 IHAB CCOc1ccccc1CCCNC(=O)CN(c1c(C)cc(C)cc1C)S(C)(=O)=O 22394599 UYCDQFYRPPLRJE-UHFFFAOYSA-N 432.586 3.526 0 40 IHAB Cc1occc1-c1nn(CN2CCC(C(=O)NCc3ccccc3)CC2)c(=S)n1C 24460608 HOXVGJJHBLJANV-UHFFFAOYSA-N 425.558 3.505 0 40 IHAB CC(=O)c1ccc(N2CCN(C(=O)[C@H](NC(=O)c3ccccc3)c3ccccc3)CC2)cc1 24769345 DGMPFGUXLXWOMD-RUZDIDTESA-N 441.531 3.709 0 40 IHAB CC(=O)c1ccc(NC(=O)CCN(C)Cc2ccc(C(=O)NCC(F)(F)F)cc2)cc1 26154806 MLTFLFUBLQPJQS-UHFFFAOYSA-N 435.446 3.642 0 40 IHAB O=S1(=O)C[C@@H]2N=C(SCc3ccc(F)cc3Cl)N(c3ccccc3F)[C@H]2C1 32640422 VTQKLPUFAXEMOO-RDJZCZTQSA-N 428.913 3.893 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N(C3CCCCC3)C3CC3)CC2)cc1 32800787 WQLCUYRCXGRGFY-UHFFFAOYSA-N 434.602 3.810 0 40 IHAB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)N1CC=C(c2c[nH]c3ncccc23)CC1 32901940 BYPHPTLZUUKPND-NRFANRHFSA-N 438.478 3.911 0 40 IHAB COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC2CCCC2)c(OC)cc1Br 35678600 HBBYUYGJQQMJMG-QGZVFWFLSA-N 439.306 3.580 0 40 IHAB Cc1nc(N2CCCCC2)ncc1-c1cc(=O)[nH]c(N2CCC(Cc3ccccc3)CC2)n1 36235564 FRDCLVRENDHFQJ-UHFFFAOYSA-N 444.583 3.985 0 40 IHAB Cc1nc(S)sc1CC(=O)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 40037497 HKXLOYZHYAHTGG-UHFFFAOYSA-N 430.624 3.751 0 40 IHAB C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(Cl)ccc1NCC(=O)Nc1ccc(C(N)=O)cc1 40135352 NFRLTMSZVMACNT-HUUCEWRRSA-N 442.947 3.893 0 40 IHAB CN(C)C(=O)C1CCN(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccccc2)CC1 40160149 GZOZKHKLMUDVBF-BUHFOSPRSA-N 428.536 3.879 0 40 IHAB COc1ccc(CNC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 44792654 USFMDZZXJCKHEW-UHFFFAOYSA-N 438.549 3.824 0 40 IHAB Cc1ccc2c(Nc3ccc(S(C)(=O)=O)cc3)c(C(=O)N3CCC(C)CC3)cnc2n1 49005493 HQSIYWXZCLJEOF-UHFFFAOYSA-N 438.553 3.957 0 40 IHAB COC(=O)Cn1c2c(sc1=O)[C@@H](c1c(F)cccc1F)CC(=O)N2c1ccccc1 49549419 NBOOUZSNKGUTAG-CYBMUJFWSA-N 430.432 3.561 0 40 IHAB CN(C(=O)Cn1c(=O)n(Cc2ccccc2Cl)c(=O)c2sccc21)c1ccccc1 57427896 INODFAAISGBMHL-UHFFFAOYSA-N 439.924 3.589 0 40 IHAB Cc1cc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(Cl)cc2)[nH]n1 72328284 UBRZGAZNEWOMBQ-UHFFFAOYSA-N 431.930 3.863 0 40 IHAB CNC(=O)c1sc2ncccc2c1[C@@H]1CN(Cc2cn(C)c3ccc(F)cc23)CCO1 72370229 BSFGNHQJINHFAU-IBGZPJMESA-N 438.528 3.860 0 40 IHAB COCc1nc(OC)c2c(C)c(C(=O)N(C[C@H](O)c3ccc(F)cc3)C3CC3)sc2n1 84066839 HUPVZYHNBQKOPD-INIZCTEOSA-N 445.516 3.632 0 40 IHAB CCOC(=O)c1sc(NC(=O)CCNC(=O)/C=C/c2ccc(OC)cc2)nc1C(C)C 89984819 TYZBGRBYBUQHTM-DHZHZOJOSA-N 445.541 3.610 0 40 IHAB CC1CCN([C@@H](CNS(=O)(=O)c2ccc3c(c2)OCCCO3)c2cccs2)CC1 95350891 AFXIMEREWATREI-SFHVURJKSA-N 436.599 3.661 0 40 IHAB COC(=O)[C@H](c1ccccc1Cl)N1CCN(C(=O)Nc2ccc(OC)c(F)c2)CC1 95456137 ZOVRETNZCJFCPJ-IBGZPJMESA-N 435.883 3.552 0 40 IHAB O=C(Cc1coc2cc3c(cc12)CCC3)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O 95469666 QLYUJLKYHCHJMP-UHFFFAOYSA-N 440.521 3.593 0 40 IHAB O=C(Nc1ccc(OC(F)(F)F)cc1Br)N1CCC(n2cncn2)CC1 95975697 WPNGALOBQYZEES-UHFFFAOYSA-N 434.216 3.808 0 40 IHAB CCOC(=O)c1c(N2C(=O)C[C@H](Sc3ccc(N)cc3)C2=O)sc2c1CCCC2 103716328 SCUADVGTPFTXHR-INIZCTEOSA-N 430.551 3.810 0 40 IHAB CC[C@@H](C(=O)NCc1cccc(OC(C)C)c1)N(c1cccc(Cl)c1)S(C)(=O)=O 113946015 ZYFMWHXLQHSFNG-FQEVSTJZSA-N 438.977 3.988 0 40 IHAB CS(=O)(=O)n1nc(NCc2ccc(Cl)cc2)nc1NCc1ccc(Cl)cc1 199418505 JNFBCVXLOSMPHJ-UHFFFAOYSA-N 426.329 3.617 0 40 IHAB COc1ccc(CCNC(=O)[C@H](C)N(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1 220248940 JWQAWBJCQLJJDZ-ZDUSSCGKSA-N 445.368 3.515 0 40 IHAB COc1ccc(NC(=O)c2ccc(CN(C)S(=O)(=O)c3ccc(OC)cc3)cc2)cc1 224437717 WCCLAJRTEAPWDY-UHFFFAOYSA-N 440.521 3.777 0 40 IHAB C[C@@H]1Cc2cc(C(=O)N3CCOc4ccccc43)ccc2N1S(=O)(=O)c1ccccc1 225849938 SFHQMPALUHIEME-QGZVFWFLSA-N 434.517 3.866 0 40 IHAB C[C@@]12C[C@H]3[C@@H](Cc4ccccc4)N[C@@H]1CCC[C@@H]2N3C(=O)c1cccc(-c2cncnc2)n1 257240890 HVPCFMQSAHVJMQ-AMVJKZIMSA-N 439.563 3.895 0 40 IHAB CCn1nc(C)c(CN2CCO[C@H](c3cc(CCOc4cccc(F)c4)n(C)n3)C2)c1C 257255179 KGMFJIHMSWLLAQ-DEOSSOPVSA-N 441.551 3.587 0 40 IHAB CCn1nc2c(c1C(=O)N1CCO[C@@H](c3cncc(-c4ccccc4F)n3)C1)CCCC2 257257076 KOAASJFYEBBCJZ-JOCHJYFZSA-N 435.503 3.592 0 40 IHAB CCCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)cc1 408648965 WXFAIKUTULSACV-HNNXBMFYSA-N 430.888 3.907 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCCSCc1ccc(Cl)cc1)c1ccccc1 408695744 UNZXAJAWGNPFFP-UHFFFAOYSA-N 441.018 3.936 0 40 IHAB COc1cc2c(cc1OC)[C@H](NC(=O)CCc1c(C)c3ccc(O)c(C)c3oc1=O)CC2 583652770 BPKFUWCAKOLYEJ-LJQANCHMSA-N 437.492 3.869 0 40 IHAB biogenic COc1ccc(CCNC(=O)N2CCCC3=C[C@@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)cc1OC 1083103372 JXOSLFKXMPFGSP-NMOFPLQQSA-N 439.600 3.851 0 40 IHAB C[C@]1(c2cccc(CNC(=O)N[C@@H]3CC[C@@H](c4cccc(Cl)c4)C3)c2)NC(=O)NC1=O 1683703663 GMCICBCQNIPMSK-ZDWFVDTJSA-N 440.931 3.530 0 40 IHAB Cc1cc(C)c2c(c1)c(C)cc1nnc(SCC(=O)NCc3ccc4c(c3)OCO4)n12 903013 JUVWBSUQDYOEAL-UHFFFAOYSA-N 434.521 3.945 0 40 IHAB COc1cccc(C(=O)N2CCN(c3ncnc4c(-c5ccc(F)cc5)nsc34)CC2)c1 1379888 WVPUFYXDICGQDQ-UHFFFAOYSA-N 449.511 3.863 0 40 IHAB CCOc1ccc(-n2c(SCC(=O)Nc3cc(C)on3)nnc2-c2cccnc2)cc1 2619349 KIWCMEVOJVMYOJ-UHFFFAOYSA-N 436.497 3.755 0 40 IHAB COc1ccccc1NC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1 3534018 SRYFJOMVAXRWPZ-CVEARBPZSA-N 439.537 3.703 0 40 IHAB C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nc2ccccc2n1CC(=O)NC1CCCC1 4859110 ATARRUBNVODZFA-IAGOWNOFSA-N 428.602 3.977 0 40 IHAB CN(C)C1(CNc2nc(CN3CCOCC3)nc3sc4c(c23)CCC4)CCCCC1 7780080 VRLHWEYEFJNFLT-UHFFFAOYSA-N 429.634 3.689 0 40 IHAB Cc1c(OCC(=O)NC[C@H](O)c2ccccc2)ccc2c(-c3ccccc3)cc(=O)oc12 8790187 ZQRCQEQCXIFPQX-QFIPXVFZSA-N 429.472 3.997 0 40 IHAB biogenic COc1ccc(C2=NN(C(=O)CSc3ncccn3)[C@@H](c3ccc(OC)cc3)C2)cc1 8830464 RQSHFQMIBDYYSU-OAQYLSRUSA-N 434.521 3.964 0 40 IHAB CCNC(=O)N1CCc2c([nH]c3ccccc23)[C@@]12C(=O)Nc1ccc(Br)cc12 8876581 JBKCNXCQENYSKV-NRFANRHFSA-N 439.313 3.714 0 40 IHAB biogenic C[C@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)c2cccc3ccccc23)C1=O 8879648 VXHNOFOSXMEKNT-RUZDIDTESA-N 430.460 3.651 0 40 IHAB COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3SC)n2C)cc1OC 9263308 KWBJJDHTGHOGQS-UHFFFAOYSA-N 430.555 3.952 0 40 IHAB C[C@@H](NC(=O)c1ccccc1F)c1nnc(SCc2nnc(-c3ccccc3)o2)n1C 9327611 QSTQIZJVSKGZGX-CYBMUJFWSA-N 438.488 3.788 0 40 IHAB CCCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3ccc4c(c3)CCC4)nnc12 9395573 MVOHBFOKBPRQHD-UHFFFAOYSA-N 433.537 3.674 0 40 IHAB C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12 9403931 KOXHUKCGEPFOTL-IAGOWNOFSA-N 447.564 3.915 0 40 IHAB Cc1ccccc1-n1nc2c(c1NC(=O)c1cccc(Br)c1)C[S@@](=O)C2 9413536 CWKUXPYJEWKKMQ-SANMLTNESA-N 430.327 3.958 0 40 IHAB COc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1ccc(CN2CCCC2=O)cc1 9464170 RAEVQHQAAYUQED-UHFFFAOYSA-N 430.888 3.575 0 40 IHAB COc1ccc(OC)c(S(=O)(=O)NCCc2sc(-c3cccc(C)c3)nc2C)c1 9578775 MVZROPREFQUXNE-UHFFFAOYSA-N 432.567 3.965 0 40 IHAB NC(=O)c1ccsc1NC(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1 9583934 JLTNNFYKUYZBGW-UHFFFAOYSA-N 441.563 3.887 0 40 IHAB COC(=O)c1ccccc1NC(=O)CSc1nnc(-c2cccc(C)c2)n1-n1cccc1 9707904 JJPKIXWWYXHXND-UHFFFAOYSA-N 447.520 3.884 0 40 IHAB COc1ccc(C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)cc1S(=O)(=O)NC1CC1 9799299 POALTMYRPOMVJY-ZDUSSCGKSA-N 445.566 3.579 0 40 IHAB CCC(=O)c1ccc(OCC(=O)N(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 9883129 NGTBXQSHYKWQLE-UHFFFAOYSA-N 438.402 3.654 0 40 IHAB CCOC(=O)c1cccc(NC(=O)[C@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)c1 10441652 DYEQQYMWIRFBIK-AWEZNQCLSA-N 438.933 3.618 0 40 IHAB CCOc1cc(C(=O)OCC(=O)Nc2cc(OC)ccc2OC)cc(OCC)c1OCC 10751126 IEJWXCMFDRILSS-UHFFFAOYSA-N 447.484 3.695 0 40 IHAB COc1ccc(C(=O)C2CCN(C(=O)[C@H](NC(=O)c3ccc(F)cc3)C(C)C)CC2)cc1 12741013 LNMQHBKBCWONCO-JOCHJYFZSA-N 440.515 3.710 0 40 IHAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)C1 12796029 BXBKAKARIQWMFU-HNNXBMFYSA-N 446.573 3.719 0 40 IHAB Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)COc2ccc(Cl)cc2)c1C 13039651 BLZRHIKQZWQZAV-FQEVSTJZSA-N 430.932 3.982 0 40 IHAB O=C(Cn1c(CN2CCCCC2)nc2sc3c(c2c1=O)CCC3)N1CCc2ccccc21 13063642 CDGLDSFCMZLEJD-UHFFFAOYSA-N 448.592 3.522 0 40 IHAB CCc1ccc(OCC(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)cc2)cc1 13566139 ZSRWZOXLILBYNT-UHFFFAOYSA-N 433.508 3.822 0 40 IHAB CCOc1ccc(CNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 13669887 ARPAZHAYEKKYGZ-UHFFFAOYSA-N 438.549 3.905 0 40 IHAB O=S(=O)(Nc1ccc(I)cc1)c1ccccc1Br 16125348 YZVRKJITKZSQFP-UHFFFAOYSA-N 438.084 3.855 0 40 IHAB Cc1cccc2c(=O)n(CCC(=O)Nc3cc(C(F)(F)F)ccc3-n3cccn3)cnc12 16470743 KXKQWBLHWLIULP-UHFFFAOYSA-N 441.413 3.938 0 40 IHAB Cc1ccccc1-c1nc2scc(CCNS(=O)(=O)c3ccccc3Cl)n2n1 17136137 JRVZXKKNBXLMRB-UHFFFAOYSA-N 432.958 3.941 0 40 IHAB O=C1CC[C@]2(C(=O)OCc3c(F)cccc3Cl)N1c1ccccc1C(=O)N2C1CC1 17954380 XFVPUDAKFJAOAQ-JOCHJYFZSA-N 428.847 3.664 0 40 IHAB COc1cccc(NC(=O)CN(C)C(=O)CSc2ncnc3sc(C)c(C)c23)c1 17968921 ODFMWLOLNMERTP-UHFFFAOYSA-N 430.555 3.506 0 40 IHAB COc1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(C)c(C)cc2O3)cc1OC 19125176 DEMQNPMNPGBYCA-LEWJYISDSA-N 427.541 3.705 0 40 IHAB CSCC[C@@H](NC(=O)c1c(C)oc2c1CCCC2)c1cc(=O)[nH]c(-c2cccnc2)n1 19581328 DGGXMAKZNCFKSS-QGZVFWFLSA-N 438.553 3.836 0 40 IHAB COc1ccc([C@@H]2CCCN2C(=O)Cn2cc(NC(=O)Cc3ccccc3F)cn2)cc1 19749458 UTFOSLSKNSHUQS-QFIPXVFZSA-N 436.487 3.576 0 40 IHAB Cc1cc(Cl)c(Cl)cc1S(=O)(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19909569 DDAPYLBPUOOQQB-UHFFFAOYSA-N 443.352 3.537 0 40 IHAB COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(C)cc2)cc1C 20008659 JMMPOIJQXGKBIC-QFIPXVFZSA-N 438.549 3.840 0 40 IHAB CCCNC(=O)c1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C 20061523 CLPWPKUMLWTNOX-UHFFFAOYSA-N 443.569 3.562 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(O)=Nc3c(-c4ccc(OC)cc4)cnn32)cc1 20738625 VGJGSKNKSIMZNW-IBGZPJMESA-N 434.452 3.907 0 40 IHAB O=C(Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)c1cc(F)ccc1F 22648498 GQLVSWCPXYIPGY-UHFFFAOYSA-N 446.431 3.789 0 40 IHAB CCc1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(Nc4ccccc4)n3)CC2)cc1 22698398 YOHYRJLQTQRSCG-UHFFFAOYSA-N 437.569 3.602 0 40 IHAB COc1ccccc1NC(=O)C[C@@H]1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21 23382417 NNZAJSVAGAQHNK-HXUWFJFHSA-N 427.464 3.557 0 40 IHAB Cc1cc(C)cc(Nc2nc(NCCN3CCOCC3)nc3c2cnn3-c2ccccc2)c1 24023474 WVQCFBWLCGFCRB-UHFFFAOYSA-N 443.555 3.920 0 40 IHAB O=C(CCCN1C(=O)c2ccccc2C1=O)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 24931884 AHJCKLKEZLSKIS-JOCHJYFZSA-N 442.519 3.501 0 40 IHAB CCc1ccc(C(=O)NC(=S)Nc2nc3ccc(N4CCOCC4)cc3s2)cc1 32127465 LCLHNIPMEIOMHX-UHFFFAOYSA-N 426.567 3.822 0 40 IHAB O=C(CN1C(=O)CSc2ccccc21)N1CCN(Cc2csc3ccccc23)CC1 32842534 DWLMDFXKTTYUOI-UHFFFAOYSA-N 437.590 3.684 0 40 IHAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccccc3)cc2)cc1 34705958 NWAYSTPYYBMIJO-UHFFFAOYSA-N 440.521 3.581 0 40 IHAB CCOc1cc([C@H]2[C@H](C(=O)Nc3ccc(Cl)cc3)[C@H](C)Nc3ncnn32)ccc1O 36701657 WBBMFNAKLGKZHU-RQUSPXKASA-N 427.892 3.694 0 40 IHAB O=C([C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCC(c2nnc(-c3ccco3)o2)CC1 38518426 LZKZYUZKAJLNLA-OAHLLOKOSA-N 440.887 3.742 0 40 IHAB CCN(CC(=O)Nc1cccc(NC(C)=O)c1)S(=O)(=O)c1cc(Cl)ccc1Cl 39985905 ZZUUYMWZVLCZJC-UHFFFAOYSA-N 444.340 3.601 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccc(OC)c(Cl)c2)cc1C 39986253 MHJVGCLPHAXXKL-UHFFFAOYSA-N 440.949 3.705 0 40 IHAB O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(NC(=O)N2CCOCC2)cc1 40285302 XQYDGKMBZJMMEY-UHFFFAOYSA-N 426.904 3.658 0 40 IHAB Cc1cc(OCC(=O)Nc2ccc(Br)cc2F)nc(N2CCC[C@H](C)C2)n1 44168443 ASHXIWIPGVWMAU-LBPRGKRZSA-N 437.313 3.940 0 40 IHAB COc1ccc([C@H](CC(C)C)NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 44902859 RLYFNQNNJOYUTR-QFIPXVFZSA-N 432.586 3.982 0 40 IHAB Cc1cc(C)cc(-n2cc(C(=O)N3CCC(NC(=O)c4ccccc4Cl)CC3)nn2)c1 49406430 VSTRNIWBQVUHPH-UHFFFAOYSA-N 437.931 3.572 0 40 IHAB Cc1ccccc1N1CCN(Cc2nc(-c3ccc(N4CCC[C@@H](C)C4)nc3)no2)CC1 49409676 DMJXBAHQQPFWAH-LJQANCHMSA-N 432.572 3.999 0 40 IHAB COc1cccc(Cn2c(=O)c3sccc3n(CC(=O)Nc3c(C)cccc3C)c2=O)c1 57426843 BWXNYLKVQLYFAK-UHFFFAOYSA-N 449.532 3.537 0 40 IHAB O=c1c2sccc2n2c(=O)n(Cc3ccc(Cl)cc3)nc2n1Cc1cccs1 64946471 HXOFPFJWVOMJBQ-UHFFFAOYSA-N 428.926 3.684 0 40 IHAB COc1cccc([C@@H](C)NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2CC(C)C)c1 67319713 MPJOISFSHUOVPM-OAHLLOKOSA-N 428.558 3.667 0 40 IHAB CCN1CCN(C(=O)Cc2cccc(OC)c2)[C@H](Cc2cccc(-c3ccncc3)c2)C1=O 72351687 XSHFBNOHMBMREX-RUZDIDTESA-N 443.547 3.602 0 40 IHAB O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CC(c2nc(Cc3cccs3)no2)C1 77190808 YEWYBYITUCCWNV-UHFFFAOYSA-N 429.445 3.529 0 40 IHAB C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)c1ccc(S(C)(=O)=O)cc1S(C)(=O)=O 78988827 HRMFKHOGRJSIJK-KBPBESRZSA-N 429.991 3.775 0 40 IHAB CC(C)c1n[nH]c(=S)n1CCNC(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 89936828 QPXIEUFJBJLBID-OKILXGFUSA-N 436.557 3.638 0 40 IHAB Cn1cc(CCNc2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c23)cn1 95954493 OYRCYIYGZDHRAZ-UHFFFAOYSA-N 434.569 3.579 0 40 IHAB O=C(Nc1ccc(Br)cn1)[C@H]1CCCN(CCc2ccc3c(c2)OCCO3)C1 96007810 UXIRVLKDQSZNIU-INIZCTEOSA-N 446.345 3.509 0 40 IHAB O=C(c1ccsc1)c1ccc(CNS(=O)(=O)c2ccc3c(c2)OCCCO3)s1 96119920 XZJDBWKKYMQCRI-UHFFFAOYSA-N 435.548 3.680 0 40 IHAB CCc1ccc(S(=O)(=O)N2CCC3(CC2)C[C@H](Nc2cccc(OC)c2)CO3)cc1 96221474 OCZQBXFKJVUGHB-FQEVSTJZSA-N 430.570 3.682 0 40 IHAB COc1ccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3ccc(Br)cc3)n2)cc1 96234461 JAPIRQGQUATZNB-ZDUSSCGKSA-N 446.301 3.934 0 40 IHAB O=C(CCC(=O)c1ccc(F)cc1)NCCN1C(=O)S/C(=C/c2cccs2)C1=O 96544337 KYBNIJMOXONGLF-SFQUDFHCSA-N 432.498 3.703 0 40 IHAB CC(=O)N(c1ccc(C)c(C)c1)c1nc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cs1 96663460 BKAOCHGCAFKHCT-VIZOYTHASA-N 447.563 3.730 0 40 IHAB CO[C@H]1CC[C@H](C(=O)NC2CCN(c3ncc(-c4ccncc4)c(C(C)C)n3)CC2)CC1 100219271 IIOAZRYBMWCEEY-TYKWCNGQSA-N 437.588 3.952 0 40 IHAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)/N=c3\sc4ccccc4n3C)cc2)C1 100815436 RIQZRSZORYOEAT-ZTVYWIFTSA-N 443.594 3.648 0 40 IHAB CCOC(=O)c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccccc4)[C@H]3C2=O)cc1 103187957 DMTOWFDANFMRDL-XPWALMASSA-N 442.471 3.914 0 40 IHAB CCOC(=O)c1cccc(NC(=O)[C@H](CC)N(c2cccc(C)c2)S(C)(=O)=O)c1C 220518478 PCKFNFFEPDWYPF-FQEVSTJZSA-N 432.542 3.663 0 40 IHAB CC[C@@H](C(=O)NCc1ccc(F)cc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 220689089 WMCJCNIIRQWFDN-INIZCTEOSA-N 433.332 3.994 0 40 IHAB CC[C@@H](C(=O)NCCOc1ccc(C)cc1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O 222509704 CAEJOTCJZQSDKA-IBGZPJMESA-N 442.940 3.527 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)Cc3ccccc3F)C2)cc1C 222588457 UQPPMOBYJALDFC-LJQANCHMSA-N 448.560 3.592 0 40 IHAB CS(=O)(=O)N(CCCC(=O)Nc1ccccc1Br)c1ccc(F)c(F)c1 222675814 ZNXAJZCGBPIYLB-UHFFFAOYSA-N 447.301 3.912 0 40 IHAB C[C@H](C(=O)Nc1nnc(SCc2ccccc2)s1)N(c1ccccc1)S(C)(=O)=O 223184086 DRKNHCRSKSIVNP-CQSZACIVSA-N 448.595 3.624 0 40 IHAB Cc1ccc(-c2nnc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)s2)cc1 223535780 PPWPSHNLQJJFQD-UHFFFAOYSA-N 448.595 3.614 0 40 IHAB COC(=O)c1cc(S(=O)(=O)N(C)Cc2nc(-c3ccc(C(C)C)cc3)no2)ccc1C 223614568 UDKUIWGHZRSHIK-UHFFFAOYSA-N 443.525 3.776 0 40 IHAB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc2c(c1)OCO2 224310975 AALZJODSASSFHF-KRWDZBQOSA-N 428.504 3.677 0 40 IHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCc2nc3ccc(Cl)cn3c(=O)c2C1 238845983 IIIYHAFCNZOBTK-UHFFFAOYSA-N 432.307 3.744 0 40 IHAB CCOc1cc(CCC(=O)NC[C@H]2CC[C@H](c3nn(C)cc3-c3cc(C)no3)CC2)on1 257292187 QKKFKPYDNWZRQJ-QAQDUYKDSA-N 441.532 3.793 0 40 IHAB O=C(c1cc(Br)cs1)N1CCC(S(=O)(=O)Cc2ccccc2)CC1 390831862 VNXSBCIRQIYKGB-UHFFFAOYSA-N 428.373 3.730 0 40 IHAB CCOc1ccccc1NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1C 408595077 TUTBHCJJJNOMAJ-UHFFFAOYSA-N 432.542 3.586 0 40 IHAB Cc1nnc(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3C(=O)c3ccccc3)C2)s1 408687792 PIXQVAMMPHOECK-AWEZNQCLSA-N 440.912 3.723 0 40 IHAB CCc1cccc(CC)c1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(F)ccc2OC)C1 408713722 QCFXQLMUAOKSBM-GOSISDBHSA-N 448.560 3.999 0 40 IHAB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3ccc(C(C)C)cc3)c2=O)=N1 409035416 SOARQMQKSYRUDX-RNHBDSLOSA-N 446.572 3.922 0 40 IHAB O=C(O[C@@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 409291974 CLZAYYJWEJSHMH-BGYRXZFFSA-N 449.846 3.664 0 40 IHAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(Cc2cccc(O)c2Cl)CC1 506907536 GIQNAVJPTUHNPC-UHFFFAOYSA-N 434.867 3.571 0 40 IHAB COc1ccc(-n2nc(C(=O)N3C[C@H]4CCC[C@@]4(c4nc(C(C)C)no4)C3)cc2C)cc1 512293737 HHONBLFKXDOTEN-MZNJEOGPSA-N 435.528 3.890 0 40 IHAB C[C@@]1(O)CCN(C(=O)NCc2ccccc2)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccccc1 514289998 SXPLYBIKUAYZRJ-WRALFONMSA-N 449.576 3.954 0 40 IHAB biogenic,in-vitro CC(C)C(=O)N1CCCCCCCNCc2cc(C(=O)NCC3CCOCC3)ccc21 643584199 XEESZSLKLOTLTJ-UHFFFAOYSA-N 429.605 3.886 0 40 IHAB Cc1nc2c(c(O)nn2C)c(C)c1CCC(=O)N1CC(Cc2ccc(C(F)(F)F)cc2)C1 674740030 HXCVMVXWZGXKEN-UHFFFAOYSA-N 446.473 3.943 0 40 IHAB COc1ccc(Br)cc1C1(C(=O)N[C@H](C)c2nc(C(F)(F)F)n[nH]2)CC1 1157232379 DEBUTMBMKDNHNQ-MRVPVSSYSA-N 433.228 3.504 0 40 IHAB O=C(Cn1ccc2ccccc21)N1CCC[C@@H](COc2ncc(Br)cn2)C1 1775969941 SQGOUBYMYGHLJY-OAHLLOKOSA-N 429.318 3.511 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CSc2nnc(COc3ccccc3)n2CC)cc1 687572 HMCKULXRVRIKTF-UHFFFAOYSA-N 440.525 3.785 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(Br)cc2)ccc1OC 792999 JYUJNMAODNMKCR-UHFFFAOYSA-N 441.347 3.741 0 40 IHAB O=C(CNC(=O)c1sc2ccccc2c1Cl)OCC(=O)N1CCCc2ccccc21 3311909 KXSVCSLIWDFFMC-UHFFFAOYSA-N 442.924 3.807 0 40 IHAB CCOC(=O)c1c(NC(=O)COC(=O)c2cccc(N(C)C)c2)sc2c1CC[C@@H](C)C2 3315317 WPWSSEILPQSLFS-CQSZACIVSA-N 444.553 3.911 0 40 IHAB CCOc1ccccc1-n1nnnc1SCC(=O)c1ccc(Br)s1 3536772 AIAOAEDWARFGJQ-UHFFFAOYSA-N 425.333 3.860 0 40 IHAB CC(C)[C@@H](C)NC(=O)CSc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2 3542321 PHKNVHBNCLZDCW-MRXNPFEDSA-N 439.585 3.513 0 40 IHAB Cc1ccc(N(C(=O)[C@@H]2CCC(=O)N2)C2(C(=O)NC3CCCCC3)CCCCC2)cc1 4099665 XQHGHOFDPMYLKY-NRFANRHFSA-N 425.573 3.758 0 40 IHAB COc1ccc(OCCNC(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)cc1 8853353 WAFHQMHORMJLLV-UHFFFAOYSA-N 429.476 3.512 0 40 IHAB Cc1ccc(-n2nc3c(c2NC(=O)CCCN2C(=O)c4ccccc4C2=O)CSC3)cc1 8909928 XHUCBYLVMFSDMB-UHFFFAOYSA-N 446.532 3.942 0 40 IHAB CCOC(=O)C1=NN[C@@]2(CCc3ccccc3C2=O)[C@@H]1c1ccc(Br)cc1 9216366 VWXLTEARPYDCAD-UTKZUKDTSA-N 427.298 3.623 0 40 IHAB O=C(COc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)NC[C@H](O)c1ccccc1 9448499 RTDMMGYSMCFWTB-IBGZPJMESA-N 427.884 3.554 0 40 IHAB CCOC(=O)c1c(NC(=O)c2nn(-c3ccc(F)cc3)ccc2=O)sc2c1CCCC2 11914394 HTLCVUDREOJYFC-UHFFFAOYSA-N 441.484 3.741 0 40 IHAB NS(=O)(=O)c1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)cc1 11923434 GWBZJKDSXUPPNY-UHFFFAOYSA-N 438.534 3.560 0 40 IHAB Cn1ccnc1[C@H](NC(=O)c1cccc(I)c1)c1ccccc1F 12630009 YAXFGFODPLYDBO-MRXNPFEDSA-N 435.240 3.683 0 40 IHAB CCOc1cc(/C=C/C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)cc(Cl)c1OC 12781790 AQARUYVQNHSPAZ-GLCJEOIMSA-N 444.959 3.950 0 40 IHAB COc1ccc(Br)cc1CSc1nnc(-c2cccc(C)c2)n1CC(N)=O 12906034 UMGCKYAEASJLCL-UHFFFAOYSA-N 447.358 3.802 0 40 IHAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)NCCc3cccs3)CC2)c1C 12978052 QDYBWDDJZGDMJG-UHFFFAOYSA-N 434.627 3.741 0 40 IHAB O=C(CN1CCN(c2ncccn2)CC1)Nc1c(Cl)c(Cl)cc(Cl)c1Cl 13031325 DXMSXWKZFDXAQU-UHFFFAOYSA-N 435.142 3.851 0 40 IHAB O=C(CSc1nnnn1-c1ccccc1)N1N=C(c2ccco2)C[C@@H]1c1cccs1 13059358 VUSSWGRQHUMMLP-MRXNPFEDSA-N 436.522 3.787 0 40 IHAB C[C@@H](Sc1ncnc2c1cnn2-c1ccc(F)cc1)C(=O)Nc1ccc2c(c1)OCO2 13295073 WFAMPPWOIGMDGG-GFCCVEGCSA-N 437.456 3.803 0 40 IHAB O=C(Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2sccc21)Nc1cccc(Cl)c1 13533369 GNNSHOQOJQCGQY-UHFFFAOYSA-N 443.887 3.704 0 40 IHAB COc1ccc(N2C(=O)[C@@H]3ON(c4ccc(OC)cc4)[C@@H](c4ccccc4)[C@H]3C2=O)cc1 13564257 MRIXZMITUCEVGP-XPWALMASSA-N 430.460 3.755 0 40 IHAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCc3cccc(C)c3)Oc3ccccc32)cc1 13646040 KDPMOEGCZQBOAY-HSZRJFAPSA-N 436.533 3.576 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)NCCc2ccccc2)c2ccc(C)cc2)cc1 14186137 HXOOYMLPMOHPKN-UHFFFAOYSA-N 438.549 3.558 0 40 IHAB COc1ccc([C@H]2c3sc(=O)[nH]c3S[C@@H]3C(=O)N(c4ccccc4C)C(=O)[C@@H]32)cc1 16711926 NPQUKPDHVRHFME-NUJGCVRESA-N 438.530 3.549 0 40 IHAB CSc1cccc(NC(=O)Cn2nc3ccc(SC4CCCCC4)nn3c2=O)c1 16843627 HHGQIQJCNRYOMM-UHFFFAOYSA-N 429.571 3.676 0 40 IHAB COc1ccc(OC)c(-n2c(N)c(C(=O)NCc3ccc4c(c3)OCO4)sc2=S)c1 16944995 NLBUAXBHVVDADT-UHFFFAOYSA-N 445.522 3.526 0 40 IHAB O=C(NC(=S)Nc1cccc(-c2nc3ncccc3o2)c1)c1ccc2c(c1)OCCO2 17097906 JNOMHOKNOFEHEP-UHFFFAOYSA-N 432.461 3.788 0 40 IHAB COc1cc(OC)c(N2C[C@H](C(=O)NCCc3c[nH]c4ccccc34)CC2=O)cc1Cl 17295402 KGXWSOPIAGETEE-OAHLLOKOSA-N 441.915 3.550 0 40 IHAB O=C(Cc1ccccc1)N[C@H](Cc1cc(=O)[nH]c(-c2ccncc2)n1)c1ccc(F)cc1 19370335 GWNMPTWOABLIME-JOCHJYFZSA-N 428.467 3.614 0 40 IHAB C[C@H]1Cc2cc(CN3CCC[C@@](Cc4ccccc4-c4cncnc4)(C(N)=O)C3)ccc2O1 19498190 SVTOYUQVPXKJDV-PPHZAIPVSA-N 442.563 3.777 0 40 IHAB COc1cc(OC)c(OC)cc1CN1CCC[C@H](c2cc(=O)[nH]c(-c3cccs3)n2)C1 19594963 GRWXBJWLHBYMMA-HNNXBMFYSA-N 441.553 3.904 0 40 IHAB CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CCCN(C(=O)CCC3CCCC3)C2)n1 19694556 BYTIBRVVKACVLO-NRFANRHFSA-N 449.599 3.985 0 40 IHAB COc1ccccc1CC(=O)N1CCC(Cc2ccccc2-c2cccnc2)(C(N)=O)CC1 19700257 KHXSBTVRGTXQTK-UHFFFAOYSA-N 443.547 3.637 0 40 IHAB O=C(c1cccnc1)N1CCCc2ccc(NS(=O)(=O)Cc3ccc(F)cc3)cc21 19819225 URYOTHDSLGSDTD-UHFFFAOYSA-N 425.485 3.756 0 40 IHAB COc1ccc(Cl)cc1N(CC(=O)NCCCc1ccc(Cl)cc1)S(C)(=O)=O 22335839 GDRVTLKRNVFSIJ-UHFFFAOYSA-N 445.368 3.517 0 40 IHAB Cc1ccc(Cc2nn3c(SCC(=O)Nc4c(C)cc(C)cc4C)nnc3nc2O)cc1 22721016 XIQQFOGHIZRZIF-UHFFFAOYSA-N 448.552 3.780 0 40 IHAB O=C(CN1CCN(Cc2ccc3c(c2)CCO3)CC1)N(Cc1ccccc1)Cc1ccco1 22931340 PVFODGNWVPUOGV-UHFFFAOYSA-N 445.563 3.561 0 40 IHAB CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)c1ccc(OCc2ccccc2)cc1 23892611 SLILEJCWVHZQMM-UHFFFAOYSA-N 445.519 3.855 0 40 IHAB O=C(NCc1ccccc1)NC1(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)CCCC1 25814111 IBWNVIIIKFWFRR-UHFFFAOYSA-N 448.567 3.676 0 40 IHAB COc1ccc([C@@H](C)NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1 30854562 MKFAMRWWEZNURO-GFCCVEGCSA-N 431.341 3.645 0 40 IHAB Cc1cc(I)cnc1NC(=S)NC(=O)c1ccccc1Cl 32125303 SRAXNSLUVCNDPV-UHFFFAOYSA-N 431.686 3.775 0 40 IHAB O=c1/c(=C/c2ccc(Cl)cc2Cl)sc2nc3cc(Br)cnc3n12 32291276 SYVPJPMVBPAGSK-BASWHVEKSA-N 427.110 3.921 0 40 IHAB O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)N[C@@H](c1cccs1)C1CCCC1 32396792 RIOXTLAURNPTFZ-OAQYLSRUSA-N 435.567 3.731 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2nc(-c3ccc(OC)cc3)no2)cc1 32759425 UXBGARNZDCRNDD-INIZCTEOSA-N 444.557 3.627 0 40 IHAB C[C@@H]1CCc2c(sc3ncnc(Sc4nnc5n(C)c(=O)c6ccccc6n45)c23)C1 32899483 WAZWXGVFQRLOBR-LLVKDONJSA-N 434.550 3.862 0 40 IHAB Cc1cc(SCC(=O)Nc2ccc(F)cc2)nc2ccc(S(=O)(=O)N(C)C)cc12 33087805 MXICFUBDOVHXEU-UHFFFAOYSA-N 433.530 3.663 0 40 IHAB O=C(O)Cn1cc([C@H](C(=O)O)N2CCC(c3nc4ccccc4o3)CC2)c2ccccc21 36365509 FERGWYADQVTCRH-JOCHJYFZSA-N 433.464 3.872 0 40 IHAB CN(C[C@@H]1COc2ccccc2O1)C(=O)CN1CCC[C@H](c2nc3ccccc3s2)C1 37181190 DOZBKLMEJWOGOJ-ZWKOTPCHSA-N 437.565 3.774 0 40 IHAB COC(=O)c1ccc(N2CCCC2)c(NC(=O)NC[C@H](c2ccco2)N2CCCC2)c1 40104488 PQLVAFNJRWLJTL-HXUWFJFHSA-N 426.517 3.625 0 40 IHAB Cc1cccc(C)c1OCC(=O)Nc1cc(-c2ccccc2)nn1[C@@H]1CCS(=O)(=O)C1 41024949 HXDSKMAMVJYSHX-LJQANCHMSA-N 439.537 3.544 0 40 IHAB O=c1c2sccc2n(Cc2nc(-c3ccccc3)no2)c(=O)n1Cc1ccc(F)cc1 48986904 RXTNMGMYQDCFEO-UHFFFAOYSA-N 434.452 3.510 0 40 IHAB CCn1c(=O)c2sccc2n(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1=O 57478711 KPKDDGLEFIOCCL-UHFFFAOYSA-N 431.823 3.556 0 40 IHAB CC(C)(NC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1ccc2c(c1)OCO2 58420603 AEBWFXMLLJFACG-CYBMUJFWSA-N 434.414 3.839 0 40 IHAB CCOCCCn1c(SCC(=O)N[C@H]2CCc3ccccc32)nc2ccccc2c1=O 67290987 QPTRDNANVFSYED-NRFANRHFSA-N 437.565 3.719 0 40 IHAB CC(=O)N1CCCCC[C@@H]1Cc1c(C(=O)NCc2nonc2C)sc2ccccc12 72370794 ZTQYVOMNWHEVJP-MRXNPFEDSA-N 426.542 3.856 0 40 IHAB CCOC(=O)[C@H](CNC(=O)c1cnc(C)c(Br)c1Cl)Cc1ccccc1 84791189 KLIYOVOYRYZWIK-AWEZNQCLSA-N 439.737 3.958 0 40 IHAB CC(=O)c1ccc(OCCCC(=O)Nc2ccc(C(=O)NCCN(C)C)c(Cl)c2)cc1 89331102 REXIIVKTDZRKBO-UHFFFAOYSA-N 445.947 3.632 0 40 IHAB Cc1nc2cc(C(=O)N3CC[C@@H]4[C@H](CCC(=O)N4C4CC4)C3)ccc2n1-c1ccccc1 89721628 RWOAFUWTAXCTIQ-AUSIDOKSSA-N 428.536 3.949 0 40 IHAB O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)N1CCCCCC1 96114443 CLHNYYBCTIHMCU-UHFFFAOYSA-N 426.520 3.977 0 40 IHAB biogenic COc1cccc(N2C(=O)C[C@@H](c3c(C)nn(-c4nc5ccccc5s4)c3O)C2=O)c1 100068877 BQZMYPZJBIZVKS-HNNXBMFYSA-N 434.477 3.552 0 40 IHAB Cn1c(Cc2ccc3c(c2)OCCCO3)nnc1SCC(=O)Nc1ccc(Cl)cc1 101160754 ZXAUYQPYNFGRDW-UHFFFAOYSA-N 444.944 3.951 0 40 IHAB Cc1ccc(C)c(NC(=O)CSC(=S)N2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)c1 113480512 KACSQVBBBDLRDB-IAGOWNOFSA-N 427.595 3.541 0 40 IHAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 219257022 NEDYZUXXEGUZFC-SFHVURJKSA-N 448.610 3.876 0 40 IHAB CC(C)Oc1cccc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c1 219752973 YQQYGTLTTKNMJM-HXUWFJFHSA-N 436.961 3.597 0 40 IHAB CC[C@@H](C(=O)NCc1ccc(Cl)cc1Cl)N(c1ccccc1F)S(C)(=O)=O 220589575 LOXBOWRWOQAVSX-INIZCTEOSA-N 433.332 3.994 0 40 IHAB CN(c1cccc(C(=O)Nc2cccc(N3CCCC3=O)c2)c1)S(=O)(=O)c1ccccc1 224257052 YUMBNXXRYWNYTC-UHFFFAOYSA-N 449.532 3.891 0 40 IHAB O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCCSC1CCCC1 225136249 GURATQBFEZHABQ-UHFFFAOYSA-N 436.574 3.813 0 40 IHAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc2c(c1)OCCO2 225242024 RAFFXYNWBAEXJX-MSOLQXFVSA-N 442.531 3.862 0 40 IHAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@H](C)Oc1cccc2c1CCCC2 225835438 AOXYLWDEIZUUIT-INIZCTEOSA-N 446.569 3.667 0 40 IHAB CC[C@]1(C)c2sc(=O)[nH]c2S[C@H]2[C@H]3C[C@@H]([C@H]4C(=O)N(c5ccc(F)cc5)C(=O)[C@@H]34)[C@@H]21 238900200 HYDGNKXEKCMXEV-IXEHATGSSA-N 444.553 3.789 0 40 IHAB COc1ccc(Nc2cc(C)nc([C@@H]3CCN(S(=O)(=O)c4c(C)n[nH]c4C)C3)c2)cc1 257265303 LYCLMTJOWAHYAI-QGZVFWFLSA-N 441.557 3.660 0 40 IHAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccccc2Oc2ccccc2)cc1 408562073 XPBHKHCDVANUDM-MRXNPFEDSA-N 426.494 3.793 0 40 IHAB COc1ccc(Cl)cc1N(CC(=O)Nc1cccc(OC(C)C)c1)S(C)(=O)=O 408621880 PRYMGIRLNFWXAC-UHFFFAOYSA-N 426.922 3.541 0 40 IHAB CCc1nc(S/C(=C\c2ccc(OCc3ccc(C(=O)O)cc3)cc2)C(=O)O)n[nH]1 408633472 YUWQKSVEOXZPMQ-BOPFTXTBSA-N 425.466 3.862 0 40 IHAB COc1cccc(OC)c1C(=O)OCC(=O)Nc1ccc(Br)c(Cl)c1 408647549 USOQNCLBEOMKEL-UHFFFAOYSA-N 428.666 3.915 0 40 IHAB CC(C)(C)[C@H]1CC[C@](O)(CN2CCOC[C@@](O)(COc3ccc(Cl)cc3)C2)CC1 585288253 ZLRCHCBQDRLFJJ-YFXJRYMSSA-N 425.997 3.750 0 40 IHAB COc1ccc(F)cc1-c1ccc(C[C@@]2(C(=O)N[C@@H]3CCCN(C)C3)CCCO2)cc1 643550649 LNHYYOXQPYKJOR-PXDATVDWSA-N 426.532 3.803 0 40 IHAB COc1ccc(CN2CCC3(CC2)OC(=O)N2CCN(Cc4ccccc4)C[C@H]23)cc1F 1549162098 NNCDXONMEBEASF-QHCPKHFHSA-N 439.531 3.506 0 40 IHAB Cn1c(CCc2nc3ccccc3[nH]2)nnc1SCC(=O)Nc1ccccc1Cl 892161 GURVMWHWLQVSSL-UHFFFAOYSA-N 426.933 3.861 0 40 IHAB O=C(C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N(Cc1cccs1)C1CC1 1357684 DJPQUXXCYGTONO-UHFFFAOYSA-N 439.002 3.993 0 40 IHAB COCCOC(=O)c1c(C)n(C)c2ccc(OC(=O)c3c(OC)cccc3OC)cc12 2219421 NDPWLCQHMHLUHD-UHFFFAOYSA-N 427.453 3.526 0 40 IHAB biogenic CCCCCCOc1ccc(/C=c2\sc3nc(-c4ccncc4)nn3c2=O)cc1OC 2369863 WZAJVUOUSRJKON-HKWRFOASSA-N 436.537 3.728 0 40 IHAB COc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)cc1OC 3262076 PYSWMRQKRSYJNB-UHFFFAOYSA-N 430.457 3.896 0 40 IHAB CCNC(=O)CSc1nc2cc(OC)c(OC)cc2c(=O)n1CCC1=CCCCC1 3455303 HTYHLVGBSHYDFU-UHFFFAOYSA-N 431.558 3.532 0 40 IHAB COc1ccc(OCc2nnc(S[C@@H](C)C(N)=O)n2-c2ccc(C)c(Cl)c2)cc1 3500794 CBCYQQJAGOPVNI-ZDUSSCGKSA-N 432.933 3.783 0 40 IHAB COc1ccc(C)cc1-n1nnnc1SCC(=O)c1ccc(Br)s1 3536704 LHSFCAKDUSCQOK-UHFFFAOYSA-N 425.333 3.778 0 40 IHAB COc1ccccc1CNC(=O)c1ccc2c(=O)n(-c3ccc(F)cc3)c(S)nc2c1 3632005 RAMQKDRMRFHABO-UHFFFAOYSA-N 435.480 3.752 0 40 IHAB COC(=O)c1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)cc1 8950174 MOWSYTVPAXVEIB-LLVKDONJSA-N 443.550 3.627 0 40 IHAB COc1ccc(C(=O)Nc2nnc(SCC(=O)Nc3ccc(C)cc3)s2)cc1OC 9364203 IQFAQUBOSBEEHG-UHFFFAOYSA-N 444.538 3.847 0 40 IHAB CCOc1ccc(-c2nc(CN3C(=O)N[C@@]4(CCOc5ccccc54)C3=O)cs2)cc1 9460131 YKNQDSORSNMIDV-HSZRJFAPSA-N 435.505 3.939 0 40 IHAB Cc1cccc(-n2c(SCC(=O)N3CCN(c4ncccn4)CC3)nc3ccccc32)c1 9516778 ISWKSRRWKDRTKP-UHFFFAOYSA-N 444.564 3.565 0 40 IHAB CC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1nnc(-c2ccccc2F)n1C1CC1 9639276 DGODJSLAIUGJON-HXUWFJFHSA-N 438.528 3.828 0 40 IHAB O=C(CSc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1)N(c1ccccc1)C1CCCCC1 9726470 BNEUUIIUQRVBTF-INIZCTEOSA-N 449.598 3.505 0 40 IHAB CCOC(=O)C1=C(COC(=O)c2ccc(CSC)cc2)NC(=O)N[C@@H]1c1ccccc1 9779033 HSRROALRVHFTKF-HXUWFJFHSA-N 440.521 3.578 0 40 IHAB Cc1cc(C)c2c(=O)n(CC(=O)Nc3ccc(C(C)C)cc3)c(=O)n(Cc3ccco3)c2n1 12446300 WPMZOUKRBBYOFC-UHFFFAOYSA-N 446.507 3.578 0 40 IHAB CS(=O)(=O)NC1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)CC1 12569518 VDWJJCDBGCIENZ-UHFFFAOYSA-N 443.956 3.709 0 40 IHAB COc1ccc([C@@H](CNC(=O)c2nn(-c3ccccc3)c(C)cc2=O)N2CCCCC2)cc1 12592107 GUDCWNAWBCGJLG-HSZRJFAPSA-N 446.551 3.507 0 40 IHAB O=C(CCNC(=O)c1ccc(F)cc1F)Nc1cc(C(F)(F)F)ccc1-n1cccn1 12754512 FSJXKFGVRDFKCE-UHFFFAOYSA-N 438.356 3.928 0 40 IHAB C[C@H](Sc1nnc(-c2cccs2)n1CCC(=O)O)C(=O)NCCC1=CCCCC1 12778989 QZYUJLDHYCYHNG-AWEZNQCLSA-N 434.587 3.969 0 40 IHAB COc1cc(OC)c(N2C[C@H](C(=O)N(C)c3nc4ccccc4s3)CC2=O)cc1Cl 12791207 QIICYWLCSVETAA-GFCCVEGCSA-N 445.928 3.983 0 40 IHAB Cc1ccccc1CCN(C(=O)c1csnn1)[C@@H](C(=O)NC1CCCC1)c1ccco1 12872687 DXHPVKNMABQCQU-OAQYLSRUSA-N 438.553 3.925 0 40 IHAB CCCCCCn1nc(C(=O)O[C@@H](C)C(=O)NCc2cccs2)c2ccccc2c1=O 12998387 IOQCNDKKXAJGFJ-INIZCTEOSA-N 441.553 3.900 0 40 IHAB Cc1cc2cc(CN(C[C@H]3CCCO3)C(=S)NCc3ccco3)c(=O)[nH]c2cc1C 13471061 GPSRSGLXSVEJOX-HXUWFJFHSA-N 425.554 3.794 0 40 IHAB COc1ccc(-c2nc(S(=O)(=O)c3ccc4c(c3)OCCO4)c(NC3CC3)o2)cc1 13689758 GRMLEFVZGZDGJZ-UHFFFAOYSA-N 428.466 3.529 0 40 IHAB COc1ccc(CCS(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CC3)cc1 13696280 ONEWPDCMJWSNSH-UHFFFAOYSA-N 442.562 3.944 0 40 IHAB CC[C@H](C(=O)NCCSCc1ccc(C)cc1)N(c1ccc(C)cc1)S(C)(=O)=O 13713241 OFTVZUZNKUHQTR-OAQYLSRUSA-N 434.627 3.898 0 40 IHAB O=C(c1cccc2ncccc12)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 14275678 LOFACRSAGABRSG-UHFFFAOYSA-N 431.517 3.535 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)c2cc(F)c(F)cc2Cl)c1 14867498 HTCNEIXCYAFCMW-UHFFFAOYSA-N 445.919 3.967 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)Nc2cc(C)ccc2OC)cc1 15391094 HBMXJLHZROAAGW-KRWDZBQOSA-N 432.542 3.584 0 40 IHAB COC(=O)c1ccc(N2CCOCC2)c(NC(=O)COc2cc(C)c(Cl)c(C)c2)c1 16269421 ZVUNAJTVVRCYSG-UHFFFAOYSA-N 432.904 3.598 0 40 IHAB O=C(NC(=S)Nc1ccc2oc(-c3cccnc3)nc2c1)c1ccc2c(c1)OCCO2 17097910 SANVPDVHHXUQBS-UHFFFAOYSA-N 432.461 3.788 0 40 IHAB CN(CCCNC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O)c1ccccc1 17826992 FCTHVMDIXUIHIT-UHFFFAOYSA-N 438.578 3.829 0 40 IHAB Cc1ccnn1[C@@H](C)C(=O)NC1CCN(c2ncc(-c3ccncc3)c(C(C)C)n2)CC1 19238325 XYOLFPOYZWXNNE-SFHVURJKSA-N 433.560 3.513 0 40 IHAB OCCn1cc(-c2ccnc(N3CCCC3)n2)c([C@@H]2CCCN(CC3CCCCC3)C2)n1 19404135 ZKWZRPAWMWHLJO-OAQYLSRUSA-N 438.620 3.692 0 40 IHAB CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2ccccc2F)CCN(C(=O)c2ccn(C)n2)C1 19449469 YCXNDIDSGQBIMH-AREMUKBSSA-N 448.542 3.826 0 40 IHAB CC(C)n1cc(C(=O)N2CCC(n3cnc4sc5c(c4c3=O)CC[C@@H](C)C5)CC2)cn1 19497209 VYWYQECBVSZTPT-OAHLLOKOSA-N 439.585 3.838 0 40 IHAB CC[C@H](Oc1cccc(OC)c1)C(=O)N1C[C@@H](c2cccc(F)c2)[C@@]2(CCCC(=O)N2)C1 19499463 PZUSWHJVOKRMNN-WRALFONMSA-N 440.515 3.657 0 40 IHAB CNC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CN(C(=O)CCC2CCCC2)CCO1 19591815 RJWOTPMUNORDKH-SANMLTNESA-N 435.568 3.605 0 40 IHAB COc1cccc(OC)c1-c1cnc(N(C)C)nc1[C@H]1CCCCN1C(=O)c1ccncc1 19694824 WSYWRXBEZQAUNA-LJQANCHMSA-N 447.539 3.989 0 40 IHAB CC(=O)N[C@H]1C[C@@H](c2ccc(NC(=O)c3cnn4cc(C)cnc34)cc2)O[C@@H](C(C)C)C1 19711753 WVORBEYXEOPDLC-FCEUIQTBSA-N 435.528 3.671 0 40 IHAB COCCC(=O)N1CCCC[C@@H]1c1nc(C)c2c(n1)N(Cc1cccc(F)c1)CCC2 19752544 VAVPMJICHQQMGS-OAQYLSRUSA-N 426.536 3.967 0 40 IHAB CC(=O)Nc1ccc(NC(=O)C[C@H]2C(=O)N(Cc3ccco3)c3nc4ccccc4n32)cc1 19817613 SLSMYICNENNVML-NRFANRHFSA-N 443.463 3.704 0 40 IHAB CN(C(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1)C1CCCC1 20050861 AVYSTJZVVBOQHD-AWEZNQCLSA-N 433.401 3.936 0 40 IHAB Cc1nccn1-c1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 20106252 OFZOPXGETQSYAI-UHFFFAOYSA-N 446.532 3.912 0 40 IHAB COc1ccc(N(CC(=O)NC(C(C)C)C(C)C)S(=O)(=O)c2ccccc2)c(OC)c1 20234030 YMXUANCCDJJDDI-UHFFFAOYSA-N 448.585 3.696 0 40 IHAB C[C@H](NC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(C)(=O)=O)c1ccc(F)cc1 22536437 ITQFATHENDMWOQ-LBPRGKRZSA-N 433.332 3.772 0 40 IHAB C[C@@H](NC(=O)C(=O)NC[C@H](c1cccs1)N1CCc2ccccc2C1)c1ccccc1 22908293 OWLAWQJLNWHFKW-XMSQKQJNSA-N 433.577 3.841 0 40 IHAB CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)Sc1nnc(Cc2ccccc2)o1 23934183 CTHVTKHKJZVPKY-MRXNPFEDSA-N 438.553 3.801 0 40 IHAB COc1cc(CN(C)Cc2nn3c(=O)cc(C)nc3s2)ccc1OCc1ccccc1 24732125 RFLHVQLQZMQEQI-UHFFFAOYSA-N 436.537 3.679 0 40 IHAB CCOc1ccc(-n2c(SCC(=O)NC(C)C)nnc2-c2cccc(OC)c2)cc1 25390307 NIRDJSFUUVHXFZ-UHFFFAOYSA-N 426.542 3.958 0 40 IHAB CCN(CC)[C@@H](CNC(=O)N1CCN(c2ccc(C(C)=O)cc2)CC1)c1ccsc1 31193510 WOCSKJMWOJNWDL-QFIPXVFZSA-N 428.602 3.865 0 40 IHAB O=C(CN1CCN(C(=O)N[C@H]2CCc3ccccc32)CC1)Nc1ccccc1C(F)(F)F 32802506 WXONJLOLQQWLTF-IBGZPJMESA-N 446.473 3.659 0 40 IHAB COC(=O)c1ccccc1NC(=O)c1cn2c3c(cc(Br)cc3c1=O)C[C@@H]2C 33089220 RUYSPHVVODAJMH-NSHDSACASA-N 441.281 3.920 0 40 IHAB CCCN1C(=O)C(C)(C)COc2cc(NC(=O)CCS(=O)(=O)c3ccccc3)ccc21 38677895 ZRSUOBULOKBJJD-UHFFFAOYSA-N 444.553 3.651 0 40 IHAB Cc1ccc2c(c1)C(=O)N(CCCC(=O)N1CCC[C@H]1c1ccc3c(c1)OCCO3)C2=O 39976103 QVJXCRZTIRFHHV-FQEVSTJZSA-N 434.492 3.506 0 40 IHAB COc1ccc(OC)c(NC(=O)[C@@H](C)SCc2nc3sc4c(c3c(=O)[nH]2)CCC4)c1 40040705 MUDDKZRKROQPBY-LLVKDONJSA-N 445.566 3.751 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)Cn1cc(-c2ccccc2)c2ncn(CC)c(=O)c21 48989538 VLJHYOYXQZJWLU-UHFFFAOYSA-N 444.491 3.700 0 40 IHAB CCOc1ccc(Cn2c(=O)c3sccc3n(CC(=O)Nc3ccccc3C)c2=O)cc1 57428061 ANUKVSOPCQTZSR-UHFFFAOYSA-N 449.532 3.619 0 40 IHAB CNS(=O)(=O)c1ccc(-c2cccs2)c(C(=O)N[C@@H]2CCOc3ccccc32)c1 58168342 YAMJZKROHUSXRK-GOSISDBHSA-N 428.535 3.577 0 40 IHAB COc1cc([C@@H]2CC(=O)Nc3c(C(=O)O)cn(-c4cc(F)cc(F)c4)c32)cc(OC)c1O 61720639 UZGUALKLKMLYFH-AWEZNQCLSA-N 444.390 3.651 0 40 IHAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCCC(C)C)Oc3ccc(Cl)cc32)cc1 64986194 NAJPEVZSVQYVDT-HXUWFJFHSA-N 436.961 3.767 0 40 IHAB COc1ccc(Cl)cc1NC(=O)Cn1nnc(C(=O)Nc2cc(F)ccc2C)c1C 67322151 WQCFHYVEQJDNJF-UHFFFAOYSA-N 431.855 3.587 0 40 IHAB Cc1cc(NC(=O)[C@@H]2CCCN(c3cc(-n4cccn4)ncn3)C2)ccc1Br 70638131 BYBDKHMNPRCNTH-OAHLLOKOSA-N 441.333 3.588 0 40 IHAB O=C(Cn1cnc2ccccc21)N1CC[C@H](c2cc(CCOc3cccc(F)c3)[nH]n2)C1 72371453 NGICGFROZVRSAS-KRWDZBQOSA-N 433.487 3.536 0 40 IHAB CC(C)[C@H](O)C1(CNC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)CC1 95463272 OZLLYWAZUMVJOK-QAPCUYQASA-N 427.372 3.759 0 40 IHAB CCS(=O)(=O)C(Br)(Br)[C@H](O)c1ccc(Cl)cc1Cl 96520914 YUVFXLOHBPCQQU-SECBINFHSA-N 440.968 3.905 0 40 IHAB COC(=O)c1ccc(NC(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)c(C)c1 98004250 RFLNVHHPQXIQSI-XSFVSMFZSA-N 429.436 3.665 0 40 IHAB COc1ccc(N2C(=O)C[C@@H](N(CCc3ccccc3)C(=O)c3ccccc3)C2=O)cc1 100619844 ZBXCMYNTZTWTQX-HSZRJFAPSA-N 428.488 3.712 0 40 IHAB Cc1ccc(CCCNC(=O)C2CCN(S(=O)(=O)CCCc3ccccc3)CC2)cc1 218786065 MCFZZYNDMOWFQT-UHFFFAOYSA-N 442.625 3.718 0 40 IHAB Cc1ccc2c(c1)[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c3cccs3)C1)CC(C)(C)O2 219259052 ZUXOXARLVCBFGO-SJLPKXTDSA-N 448.610 3.876 0 40 IHAB CCCOc1ccccc1CCCNC(=O)CCCN(C)S(=O)(=O)c1ccccc1 219726654 MZDTYAZXMBODTG-UHFFFAOYSA-N 432.586 3.625 0 40 IHAB CC[C@H](C(=O)Nc1cccc(C(=O)OC)c1C)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220570696 DAWKUTLVMDUCHI-HXUWFJFHSA-N 432.542 3.582 0 40 IHAB COc1ccc(S(=O)(=O)NCc2ccc(CN3CCCC3=O)cc2)c(Cl)c1Cl 223695382 NAORMSRNNWOSIQ-UHFFFAOYSA-N 443.352 3.603 0 40 IHAB COc1cccc(-c2noc(CN(C)S(=O)(=O)c3ccc(OC)c(C(C)C)c3)n2)c1 223773908 ODNYBTYTHHYNFF-UHFFFAOYSA-N 431.514 3.698 0 40 IHAB COc1cccc(CNC(=O)c2ccc(CN(C)S(=O)(=O)c3ccc(C)cc3)cc2)c1 224518652 QFQTVSOPNIGEKL-UHFFFAOYSA-N 438.549 3.754 0 40 IHAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2nc(-c3cccs3)no2)cc1 224866267 HQYWORNZXBIZGM-ATVHPVEESA-N 434.477 3.787 0 40 IHAB O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)N1CCOc2ccccc21 226008525 CYYGPAIEBILDFW-UHFFFAOYSA-N 432.517 3.575 0 40 IHAB C[C@@H]1CN(C(=S)S[C@H]2CC(=O)N(c3ccc(Cl)cc3Cl)C2=O)C[C@@H](C)O1 227003275 SJYOMKDOCATNDX-RULNRJAQSA-N 433.382 3.753 0 40 IHAB O=C(NCCn1cc(-c2nc(-c3ccsc3)no2)nn1)c1cc2cc(Cl)ccc2[nH]1 245026559 NAFXRRLGWBKTFQ-UHFFFAOYSA-N 439.888 3.621 0 40 IHAB CCCNC(=O)CCc1c(C)nc2cc([C@H]3CCCN3C(=O)C3CCCC3)nn2c1C 257317053 VIDWMQKMNJVIAV-OAQYLSRUSA-N 425.577 3.659 0 40 IHAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1Cl 408551417 HTYWLKCFXJSDAY-VIFPVBQESA-N 437.732 3.961 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCC3=CCCCC3)C2)cc1C 408554069 BJHATQZYCWTHPA-HXUWFJFHSA-N 434.602 3.801 0 40 IHAB COc1ccccc1NC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2)cc1C 408675332 HQBOSUAFWSURHU-UHFFFAOYSA-N 426.494 3.822 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(OC(C)C)cc1 408701865 HLSSKWVESLXINN-UHFFFAOYSA-N 432.542 3.909 0 40 IHAB COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OC)c(C)c1 409062717 ZRCUWRXMNMBMPD-BOPFTXTBSA-N 430.913 3.805 0 40 IHAB O=C(CN1C(=O)N/C(=C/c2ccccc2OCc2ccccc2)C1=O)Nc1ccccc1F 409208459 CHMGEZUERHSQPQ-KGENOOAVSA-N 445.450 3.936 0 40 IHAB CCn1c(CNC(=O)c2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(C)cc1C 409333515 SNQBHDPPFKGHJZ-UHFFFAOYSA-N 437.569 3.884 0 40 IHAB Cc1cc(C)cc(C2(C(=O)N3CCOC[C@@H](Cc4cccc5[nH]ncc45)C3)CCOCC2)c1 585262067 KSVPWFVZHYZMMI-NRFANRHFSA-N 447.579 3.946 0 40 IHAB CO[C@@H]1CCN2C[C@@H]1CCCCN(Cc1ccc(F)cn1)CCOc1ccccc1C2=O 2037980977 PDXKSXXPOPTRGQ-WMZHIEFXSA-N 441.547 3.763 0 40 IHAB COc1ccc(NC(=O)CSc2nc3c(c(=O)n2-c2ccc(F)cc2)SCC3)cc1 755452 ZWUQMCYVODCLFR-UHFFFAOYSA-N 443.525 3.759 0 40 IHAB O=S(=O)(N[C@@H]1CCCC[C@@H]1Sc1nnnn1-c1ccccc1)c1ccc(Cl)cc1 2708601 FAKGIBNWUMBTPK-MSOLQXFVSA-N 449.989 3.698 0 40 IHAB CC(C)N(C(=O)COC(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1)C(C)C 3369151 MEQUIDGCRIIGAT-CCEZHUSRSA-N 444.553 3.901 0 40 IHAB O=C(COC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1)Nc1ccccc1F 3433683 AHKZJNMJLCLGAG-UHFFFAOYSA-N 446.431 3.561 0 40 IHAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 4301511 LGGOFPMWMXXCQN-JSGCOSHPSA-N 432.325 3.570 0 40 IHAB COc1ccc(OC)c(C(=O)CSc2nc3ccccc3n2CC(=O)NC(C)(C)C)c1 8670754 OTDGDRDJNYEEOI-UHFFFAOYSA-N 441.553 3.943 0 40 IHAB CCN(C(=O)CN(C)CC(=O)Nc1ccc(Br)cc1C)c1ccc(F)cc1 8749948 ULCCDFOPLPQKHT-UHFFFAOYSA-N 436.325 3.820 0 40 IHAB COC(=O)c1ccccc1[S@](=O)CC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 8925803 RSYGAVBQYPQNBW-NDEPHWFRSA-N 434.926 3.996 0 40 IHAB C[C@@H]1CCCCN1CCCNc1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl 9114403 PNUDUSYOEXAYLM-CYBMUJFWSA-N 429.874 3.976 0 40 IHAB COc1ccc2c(c1)c1c(c(=O)n(Cc3ccccc3)c(=O)n1Cc1cccc(F)c1)n2C 9153800 HEVPJUPWRWBJCM-UHFFFAOYSA-N 443.478 3.899 0 40 IHAB COc1cccc(N2CCN(C(=O)c3nc(-c4ccccc4)n(-c4ccccc4)n3)CC2)c1 9206008 QPXDFMWSZXIVGU-UHFFFAOYSA-N 439.519 3.905 0 40 IHAB O=C1COc2ccc(C(=O)COC(=O)CSCc3ccc(Cl)c(Cl)c3)cc2N1 9218661 VVHBDFMBTPIGEC-UHFFFAOYSA-N 440.304 3.984 0 40 IHAB Cc1cc(C)n(CCCNC(=O)CSc2nc3cc(Cl)ccc3c(=O)n2C(C)C)n1 9257700 XCYRGJPGVHXYKX-UHFFFAOYSA-N 447.992 3.743 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cccc(C(F)(F)F)c2)cc1 9340208 YTOXOQFUAILESD-QGZVFWFLSA-N 428.432 3.506 0 40 IHAB O=C(O)CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1nc2ccccc2[nH]1 9349081 URMCCZNTALRXHA-KRWDZBQOSA-N 441.285 3.868 0 40 IHAB CCOC(=O)C1CCN(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2CC)CC1 9403197 USHWEPLUYKJRBY-UHFFFAOYSA-N 436.965 3.512 0 40 IHAB Cc1c(NC(=O)COC(=O)c2cc(Cl)cc(Cl)c2)c(=O)n(-c2ccccc2)n1C 9666041 CATQESCHKOPXJR-UHFFFAOYSA-N 434.279 3.587 0 40 IHAB O=C(NCc1ccccc1Cl)C(=O)NC[C@H](c1cccs1)N1CCc2ccccc21 9708295 PTUVSMSERBUPDC-HXUWFJFHSA-N 439.968 3.938 0 40 IHAB Cc1nc2ccc(N[C@@H](C)C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2s1 9739354 SUZJODXYHMBPAT-AWEZNQCLSA-N 444.582 3.828 0 40 IHAB O=C(CSc1nc2ccccc2c(=O)n1Cc1ccco1)NCCc1cccs1 9956850 SNOKERQMHFPFEZ-UHFFFAOYSA-N 425.535 3.550 0 40 IHAB COc1cc(OC)cc(C(=O)NCC(=O)Nc2nc(-c3ccc(C)cc3C)cs2)c1 11358138 CVTRLLQDVOOJNB-UHFFFAOYSA-N 425.510 3.813 0 40 IHAB Cc1ccc(Cn2nnc3c(SCC(=O)NCc4ccccc4Cl)ncnc32)cc1 11758460 WKZJNJKBMWWAAL-UHFFFAOYSA-N 438.944 3.640 0 40 IHAB Cc1nn([C@H](C)CC(=O)N2CCC[C@H](c3nc4ccccc4cc3C(N)=O)C2)c(C)c1C 12255853 UZMZFTIXSPGAAO-QRWLVFNGSA-N 433.556 3.813 0 40 IHAB CSCC[C@H](Nc1ccc(S(=O)(=O)N2CCCC2)cn1)c1nc2ccccc2[nH]1 12550167 WSHCXZUSSQRQHF-SFHVURJKSA-N 431.587 3.649 0 40 IHAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C/C(=O)NC[C@@H]1COc2ccccc2O1 12637899 BXRBAAQXMZCHGF-SXSDINLZSA-N 427.863 3.943 0 40 IHAB CC[C@H](NC(=O)c1ccc(=O)n(Cc2ccccc2)n1)c1ccc(Br)cc1 12760407 WGWMTEYVIIIYMA-SFHVURJKSA-N 426.314 3.935 0 40 IHAB COc1ccc(NC(=O)c2ccc(NC(=O)CNC(=O)c3cccc(Cl)c3)cc2)cc1 12798393 KBPZSTGUZDHYAQ-UHFFFAOYSA-N 437.883 3.969 0 40 IHAB O=C(Cn1nc(-c2ccccc2)cc(C(F)(F)F)c1=O)Nc1ccc2c(c1)OCCCO2 12880733 OAZKQZGQPDANAW-UHFFFAOYSA-N 445.397 3.729 0 40 IHAB CC[C@H](c1nnnn1CCOC)N(Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCCC1 13063993 FWPDNVJHAUCTQT-JOCHJYFZSA-N 438.576 3.755 0 40 IHAB O=C1N[C@@H](c2cccc(Br)c2)[C@H](C(=O)c2ccccc2)[C@](O)(C(F)(F)F)N1 13149147 QFHWXDRJPSSTMX-KEYYUXOJSA-N 443.219 3.553 0 40 IHAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2c(C)cc(C)cc2C)C1 13580876 QLCBFOCCOQNVCF-KRWDZBQOSA-N 434.533 3.799 0 40 IHAB COc1cc(C(=O)N2CCN(c3nc4ccc(Cl)cc4s3)CC2)cc(OC)c1OC 15391669 NPHVHLWAGXRHFL-UHFFFAOYSA-N 447.944 3.938 0 40 IHAB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N(C)Cc2ccc(F)cc2)cc1 15477611 CQWQVZUVBNWXDH-UHFFFAOYSA-N 442.512 3.932 0 40 IHAB O=C(Nc1ccc2c(c1)OCO2)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCC2 16097010 VTMPROHHOJEHPK-UHFFFAOYSA-N 436.489 3.957 0 40 IHAB Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)O[C@@H](C)C(=O)Nc4cc(C)on4)cc3C2=O)c1 16828938 NVJQWNOZBPGNDS-HNNXBMFYSA-N 447.447 3.584 0 40 IHAB COc1ccc(NC(=O)CCc2csc(NS(=O)(=O)c3ccccc3)n2)c(OC)c1 16848348 KSHBYPIFTCHTMA-UHFFFAOYSA-N 447.538 3.532 0 40 IHAB COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)ccc1O 17821634 QVKLBFGOEMTFQC-ZRBLBEILSA-N 430.460 3.760 0 40 IHAB Cc1csc(C(=O)N2CCC[C@@H](c3nn(C)cc3-c3ccnc(N4CCCC4)n3)C2)c1 19124513 FPYFLVZATDNLNQ-QGZVFWFLSA-N 436.585 3.867 0 40 IHAB COc1cccc(C(=O)N2CCC[C@H]2c2nc(N(C)C)ncc2-c2ccncc2)c1OC 19585316 WIBIKWCTPVSZCE-IBGZPJMESA-N 433.512 3.599 0 40 IHAB NC(=O)c1ccc(-c2ccc([C@@H]3CN(C(=O)CCCc4ccc(F)cc4)CCO3)nc2)cc1 19693600 ONFQEDMZHLVOTO-DEOSSOPVSA-N 447.510 3.909 0 40 IHAB COc1ccc(CN2C(=O)CCCC[C@@H]3[C@@H]2CCN3C(=O)COc2ccccc2F)cc1 19713113 UCDWYDGNROOXHS-YADHBBJMSA-N 440.515 3.785 0 40 IHAB Cc1nc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)c3scnc3C)CC2)cs1 19746322 ZOVCDCGQLHGTOF-GOSISDBHSA-N 432.615 3.692 0 40 IHAB Cc1nc(C)c(C(=O)N2CCC[C@H](c3nc(C)c4c(n3)N(Cc3ccccn3)CCC4)C2)o1 19752586 OYPSJKLBVVGGRQ-IBGZPJMESA-N 446.555 3.757 0 40 IHAB Cc1nc([C@H]2CCCCN2C(=O)c2cc(C(C)C)n[nH]2)ncc1C(=O)NCc1ccccc1 19764338 UEMFBAIYSRVVLI-JOCHJYFZSA-N 446.555 3.929 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)NCCc2ccccc2)c2ccccc2)cc1C 22378101 KHINJOHQZXHJIX-UHFFFAOYSA-N 438.549 3.558 0 40 IHAB O=C(c1ccc(Cl)cc1)N1CCC[C@@H](C(=O)N2CCN(Cc3cccs3)CC2)C1 23735841 DIMOODQBLOBBES-GOSISDBHSA-N 431.989 3.598 0 40 IHAB COCCN(Cc1ccc(C(=O)Nc2ccccc2)cc1)Cc1nc2ccccc2c(=O)[nH]1 24601404 MIDSUHMHYLLQNC-UHFFFAOYSA-N 442.519 3.824 0 40 IHAB c1ccc(-n2c(SCc3nc(-c4cccs4)no3)nnc2N2CCOCC2)cc1 26226582 HHDPNGVDSDLZNH-UHFFFAOYSA-N 426.527 3.508 0 40 IHAB CC(C)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C(=O)c1cccc(S(C)(=O)=O)c1 27996276 WRFYHDQNSZUINZ-UHFFFAOYSA-N 433.917 3.844 0 40 IHAB CCCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3ccc(N4CCCCC4)cc3)cc(C3CC3)nc21 29962356 WQIGEYJHIVLGLL-UHFFFAOYSA-N 447.539 3.615 0 40 IHAB CSCC[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 31127356 HHRUQQLPXYMTGL-DOTOQJQBSA-N 427.526 3.679 0 40 IHAB COC(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1 32765634 GQHUADFCBHQIKG-UHFFFAOYSA-N 431.514 3.538 0 40 IHAB O=C(NCc1ccc(OC(F)F)cc1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 32906361 UVUXYYLXJVUTIU-ZDUSSCGKSA-N 439.256 3.720 0 40 IHAB COc1ccc2c(c1)c1nc(SCC(=O)Nc3ccc4c(c3)CCC4)n(C)c(=O)c1n2C 33287756 HNXRKAALBWHQMD-UHFFFAOYSA-N 448.548 3.653 0 40 IHAB O=C(CSC1=N/C(=C\c2ccccc2)C(=O)N1c1ccc(F)cc1)NCC(F)(F)F 35104248 TXFSDXNNQCYTJW-YBEGLDIGSA-N 437.418 3.981 0 40 IHAB CCCOc1cccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2ccc(C)cc2)c1 35993550 IVOIDBVVNSDLPP-OPYAIIAOSA-N 436.430 3.888 0 40 IHAB O=C(CCS(=O)(=O)c1ccccc1)Nc1ccccc1NC(=O)c1ccccc1F 36709576 XSTNZBSLIQKDMT-UHFFFAOYSA-N 426.469 3.881 0 40 IHAB Cc1ccc(-n2ncc(C(=O)Nc3cccc(N4CCNC4=O)c3)c2C(F)(F)F)cc1 40108524 MGGTYMGNHDCMPV-UHFFFAOYSA-N 429.402 3.981 0 40 IHAB Cc1ccc(-n2cc(C(=O)N3CCC(NC(=O)c4cccc(Cl)c4)CC3)nn2)cc1C 49406309 JHKSIZAVDRTQGX-UHFFFAOYSA-N 437.931 3.572 0 40 IHAB Cc1c(C(=O)N2CCC(C(=O)NCC(C)(C)CN(C)C)CC2)sc2cccc(F)c12 60093328 VZGPTSWSBGLVNW-UHFFFAOYSA-N 433.593 3.905 0 40 IHAB CC(=O)Nc1c(C)cccc1-c1nnc(SCC(=O)Nc2cc(C)ccc2C)nc1O 64774866 YUAMTYWAGCSPRX-UHFFFAOYSA-N 437.525 3.859 0 40 IHAB Cc1cccc(Cl)c1NC(=O)Cn1c(C)cc(C)c(S(=O)(=O)c2ccccc2)c1=O 67255271 ZLCQKDLOGOSDGO-UHFFFAOYSA-N 444.940 3.898 0 40 IHAB COc1ccc(-c2noc(CCC(=O)NCCc3nc4cc(Cl)ccc4n3C)n2)cc1 72275327 LFCSORVPLDZWDT-UHFFFAOYSA-N 439.903 3.577 0 40 IHAB CCC(=O)N1CCc2cc([C@H](O)CN3CCC[C@](O)(c4ccc(F)cc4)CC3)ccc21 72343044 IKSYYFFPOGVAQM-ILBGXUMGSA-N 426.532 3.532 0 40 IHAB Cc1cnc(C(=O)N2CCC[C@@H]2c2nc(C)c3c(n2)N(Cc2ccc(F)cc2)CCC3)cn1 72373788 KLLWRZYGLCVADU-JOCHJYFZSA-N 446.530 3.953 0 40 IHAB O=C(C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)N1C[C@H]2CC=CC[C@H]2C1 78874706 LYOVPLPVRIMWLW-CALCHBBNSA-N 442.503 3.531 0 40 IHAB CCCN(Cc1ccccc1)C(=O)Nc1cc(C(C)(C)C)nn1[C@H]1CCS(=O)(=O)C1 95350309 QWGIXMYSJJJHOD-SFHVURJKSA-N 432.590 3.984 0 40 IHAB CCOC(=O)C1=NN(c2ccccc2Cl)[C@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]12 101142228 BOJUQTZEHLILDF-SJLPKXTDSA-N 446.290 3.599 0 40 IHAB COc1ccccc1CCCNC(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 219631892 LUFUKCHGDQWWEK-UHFFFAOYSA-N 438.977 3.644 0 40 IHAB CC(C)Oc1cccc(CCCNC(=O)CCCN(C)S(=O)(=O)c2ccccc2)c1 219723458 UOLNNFKDBMZELA-UHFFFAOYSA-N 432.586 3.624 0 40 IHAB CCCCNC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 219982482 GCPDHPNFDKPUGH-UHFFFAOYSA-N 443.569 3.643 0 40 IHAB CC(C)Oc1ccc(CCCNC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)cc1 222502370 ZNWWLZUMFFNVKW-UHFFFAOYSA-N 438.977 3.886 0 40 IHAB COc1ccc(OC)c([C@@H](C)NC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c1 222701948 SOXIAPIPZRVAQN-MRXNPFEDSA-N 448.585 3.645 0 40 IHAB CCCCN1C(C)=NS(=O)(=O)c2cc(C(=O)Nc3ccc(C(=O)OCC)cc3)ccc21 223117512 RNLDAFQNJFJLKX-UHFFFAOYSA-N 443.525 3.843 0 40 IHAB CN(C)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Br)s1 223211596 NFRANPVOBVNHQA-CVEARBPZSA-N 425.421 3.830 0 40 IHAB COc1ccccc1CCCNC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 223968763 VFIABBKHYDPAMR-UHFFFAOYSA-N 442.512 3.998 0 40 IHAB Cc1cc(C)cc(OCCNC(=O)[C@H](C)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)c1 224100247 LETWFLPYMVLUPR-KRWDZBQOSA-N 438.977 3.615 0 40 IHAB CCN(Cc1ccc(C(=O)NCc2ccncc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 224461606 BAJNHSWQEUBFOK-UHFFFAOYSA-N 443.956 3.876 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)Cc3cccc(C)c3)cc2)cc1 224547338 LRDCLVTXMAEWMP-UHFFFAOYSA-N 446.550 3.746 0 40 IHAB CC[C@H](C(=O)NCc1ccccc1CN1CCCCC1)N(c1ccccc1)S(C)(=O)=O 224832487 NDYCJFCHHFSWIG-HSZRJFAPSA-N 443.613 3.534 0 40 IHAB CC(C)Sc1nnc(NC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)s1 224866711 OLPSKINFBLOUJQ-UHFFFAOYSA-N 442.632 3.741 0 40 IHAB CCCOc1ccc(N(CC(=O)Nc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)cc1 224963649 IOVDAYUZHMUGPM-UHFFFAOYSA-N 445.585 3.870 0 40 IHAB COc1cc(CN2CCC(NC(=S)Nc3ccccc3C)CC2)cc(OC)c1OC 225229037 WTFKGIBAXYILGJ-UHFFFAOYSA-N 429.586 3.972 0 40 IHAB CC(C)(Cc1ccccc1)NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1 225324816 SAJAFULYUDXAHG-NRFANRHFSA-N 444.597 3.649 0 40 IHAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)o1 225444396 CKIXWMSKUBNAAJ-VQTJNVASSA-N 442.566 3.840 0 40 IHAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(OC)cc1 225557746 KTIUAFCNPIFLQN-LEWJYISDSA-N 434.558 3.516 0 40 IHAB O=C(NCCNc1ccnc2cc(Cl)ccc12)c1cn2c3c(cccc3c1=O)CCC2 225860372 VVVDPOHTOJIJSC-UHFFFAOYSA-N 432.911 3.991 0 40 IHAB COC(=O)CSc1nnc(NC(=O)CSCc2c(Cl)cccc2Cl)s1 225876346 VANBKYGQMZJUJR-UHFFFAOYSA-N 438.383 3.982 0 40 IHAB CN1C(=O)CCCC[C@]12CN(C(=O)c1ccccc1Cn1ccnc1)C[C@H]2c1ccccc1 257236778 HDTIRYWDHFLZAI-RPLLCQBOSA-N 442.563 3.942 0 40 IHAB Cc1cccc(OC(C)(C)C(=O)N2CCO[C@@H](c3cccc(Nc4cnccn4)n3)C2)c1 257249886 JKDITNPCRURDFI-HXUWFJFHSA-N 433.512 3.681 0 40 IHAB COc1ccccc1[C@H](C)NC(=O)[C@H](C)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 260836932 BONJCBHINVXBFX-KBPBESRZSA-N 444.475 3.746 0 40 IHAB Cc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(F)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 409071910 QKRNPVOHBVULID-GWLUTCJNSA-O 436.894 3.804 0 40 IHAB COC(=O)c1ccc(NC(=O)CSc2nnc(COc3c(C)cccc3C)n2C)cc1 409339510 JHSKFOHYMOWWMW-UHFFFAOYSA-N 440.525 3.528 0 40 IHAB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1cc(Cc2ccccc2)[nH]n1 569871766 PXTGGPLCRJXIGM-UHFFFAOYSA-N 441.329 3.782 0 40 IHAB Cc1c(C)n(C[C@@H](O)CN(CCCO)Cc2ccc(OCCF)cc2)c2ccccc12 585270486 XMYZGNLQPZOESQ-QFIPXVFZSA-N 428.548 3.852 0 40 IHAB CCOC(=O)c1cnn2ccc(NC(=O)[C@H](C)Oc3ccccc3Br)cc12 1536391799 HQYPRRKGUDYWDS-LBPRGKRZSA-N 432.274 3.680 0 40 IHAB O=C(CN1C[C@@H](c2ccccc2)[C@@]2(CCCC(=O)N2)C1)Nc1nc2ccc(F)cc2s1 2037844049 LYYJCHRLFCOYFI-GAJHUEQPSA-N 438.528 3.512 0 40 IHAB CC1CCN([C@@H]2CC(=O)N(c3ccc(Br)cc3Br)C2=O)CC1 707656 DNUXKKBNDCSYOH-CQSZACIVSA-N 430.140 3.575 0 40 IHAB CC(=O)Nc1ccc(NC(=S)N[C@H](NC(=O)c2ccco2)C(Cl)(Cl)Cl)cc1 836675 DRCZNVQJVYSUGH-AWEZNQCLSA-N 449.747 3.651 0 40 IHAB CCn1c(COc2cccc(OC)c2)nnc1SCC(=O)Nc1cccc(OC)c1 929018 BOCZPNQOCIVVBY-UHFFFAOYSA-N 428.514 3.625 0 40 IHAB CCOC(=O)c1ccc(N2C[C@H](C(=O)O[C@@H](C)C(=O)c3ccc(Cl)cc3)CC2=O)cc1 993313 LLEWEBVHCCNZHP-WMLDXEAASA-N 443.883 3.684 0 40 IHAB Cc1ccc2c(c1)[C@@](O)(CC(=O)c1cc(Br)c(Br)o1)C(=O)N2 1320295 AVTGTCCYKWIZBA-HNNXBMFYSA-N 429.064 3.526 0 40 IHAB O=C(CSc1nnc(-c2cnccn2)n1Cc1ccco1)Nc1cccc(Cl)c1 2370658 LIFKYMZZNALWCT-UHFFFAOYSA-N 426.889 3.761 0 40 IHAB CCOc1ccc(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2cccs2)cc1 2627983 QVGOREXEHSEMFS-UHFFFAOYSA-N 446.550 3.989 0 40 IHAB CCN(CC)CCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1 5247152 UMPMSVABOOUQEK-RIYZIHGNSA-N 426.513 3.854 0 40 IHAB COc1ccc(NC(=O)C2CCN(CC(=O)Nc3ccc(C)cc3C)CC2)cc1OC 9071768 VIIKUIXFLGGCRZ-UHFFFAOYSA-N 425.529 3.610 0 40 IHAB CC1(C)COc2cc(NS(=O)(=O)c3ccccc3Br)ccc2NC1=O 9168670 BSSYCILSOJDORY-UHFFFAOYSA-N 425.304 3.607 0 40 IHAB CCOc1ccccc1NC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)CC1 9191052 FEZFAFYQCOWYHJ-HXUWFJFHSA-N 449.551 3.624 0 40 IHAB COc1cc(OC)cc(C(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccccc4C)C3)s2)c1 9199740 SIMSTMFAZMKWLK-OAHLLOKOSA-N 438.509 3.637 0 40 IHAB O=C(C[C@H]1C=CCC1)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 9467482 WOZXJGIOPXCACU-INIZCTEOSA-N 428.510 3.944 0 40 IHAB O=C(c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1)N1CC[C@@H]2CCCC[C@H]2C1 9468062 IXQGWDLNQKEAQI-WMZOPIPTSA-N 442.537 3.868 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CNc2ccc(Br)cc2)cc1 9725953 DJPRIYFVUVVAJF-UHFFFAOYSA-N 440.363 3.530 0 40 IHAB COCCN(CC(=O)Nc1cccc(C)c1C)C(=O)/C=C/c1cc(Cl)c2c(c1)OCO2 9818057 KCTPYVWRBRDFMO-BQYQJAHWSA-N 444.915 3.812 0 40 IHAB CN1CCCN(C(=O)C2CCN(c3nc4ccccc4o3)CC2)c2nc3ccccc3nc21 10934744 WEGHAKZKRUBPTE-UHFFFAOYSA-N 442.523 3.861 0 40 IHAB COc1ccc(NC(=O)CSC2=Nc3c(cnn3-c3ccccc3)C3=NCCCN23)cc1 12323430 VJHAJILDBPXMHG-UHFFFAOYSA-N 446.536 3.706 0 40 IHAB Cc1cccc(NS(=O)(=O)c2ccc(C(=O)NC[C@H](c3ccco3)N(C)C)cc2)c1C 12584751 MGTSFNOLVJEKKG-OAQYLSRUSA-N 441.553 3.730 0 40 IHAB CCCc1nc2ccccc2c(C(=O)OCC(=O)NC(=O)c2ccccc2OC)c1CC 12602606 MUCYDVHCMKMEMY-UHFFFAOYSA-N 434.492 3.872 0 40 IHAB CC(C)Cn1c(CCC(N)=O)nnc1S[C@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1 12896360 VQGDKMZAXXAOLY-OAHLLOKOSA-N 431.606 3.769 0 40 IHAB CC[C@@H](NC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)c1ccc(Br)cc1 12915262 KKZLOFSMBNASJQ-QGZVFWFLSA-N 426.314 3.986 0 40 IHAB Cc1nn(C)c2c1[C@@H](c1cccc(C(F)(F)F)c1)[C@H](NC(=O)c1ccccc1)C(=O)N2 13062972 RLFGTLQRFFZHJX-MSOLQXFVSA-N 428.414 3.630 0 40 IHAB CC(=O)NCCCc1ccc(C(=O)CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1 13149483 JKIHWRIFPDXJIM-UHFFFAOYSA-N 433.291 3.541 0 40 IHAB CCOC(=O)C1=C(C)Nc2nc(SCC(=O)OC)nn2[C@H]1c1ccc(C(C)C)cc1 14163480 DDJTXGVGVDKDHL-SFHVURJKSA-N 430.530 3.519 0 40 IHAB O[C@@H]1C[C@@H](c2nc(-c3ccc4c(c3)OCO4)no2)N(Cc2cccc(OC(F)(F)F)c2)C1 15675015 XHMWNNZGFLKFEM-ZBFHGGJFSA-N 449.385 3.672 0 40 IHAB biogenic,in-vitro Cc1ccccc1CN(C)[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 16374507 DBVNFZHYENEDFS-LJQANCHMSA-N 429.586 3.629 0 40 IHAB COc1ccc(-c2nc3s/c(=C/c4ccc(OCc5ccccc5)cc4)c(=O)n3n2)cc1 16728969 ACNAZASPHXHFKF-PXLXIMEGSA-N 441.512 3.953 0 40 IHAB COc1ccccc1N1CCN(C[C@H](O)COCCOc2ccc(C(C)(C)C)cc2)CC1 17112914 VNBQMHNPLUSPSM-QFIPXVFZSA-N 442.600 3.571 0 40 IHAB O=C(Cn1cc(S(=O)(=O)Cc2ccc(F)cc2)c2ccccc21)NCc1ccco1 17200937 YVEXOFOZTIOZBA-UHFFFAOYSA-N 426.469 3.664 0 40 IHAB COCCn1c(S[C@@H](C(=O)N(C)C)c2ccccc2)nc2cc(Cl)ccc2c1=O 17674161 LSHRUCVVEFSMCY-GOSISDBHSA-N 431.945 3.618 0 40 IHAB Cc1[nH]n(-c2nc3ccccc3s2)c(=O)c1[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O 18240632 GMEDJQYZTZSPDH-AWEZNQCLSA-N 438.896 3.784 0 40 IHAB Cc1ccc(-c2cccc(C[C@@]3(C(=O)N(C)C)CCN(C(=O)c4ccn(C)n4)C3)c2)cc1 19212601 GQFQLXJNVQSTAH-SANMLTNESA-N 430.552 3.559 0 40 IHAB O=C1CC[C@]2(CCCN(C(=O)c3cccc(N4CCCC4=O)c3)[C@@H]2c2ccc(F)cc2)N1 19294381 ZCZINEPDUMVKNX-NOZRDPDXSA-N 435.499 3.579 0 40 IHAB Cc1cc(C)c(C(=O)N2CCC(c3nc(NC(C)C)ncc3-c3ccncc3)CC2)c(=O)[nH]1 19566637 MCRWMQNBRCCMCY-UHFFFAOYSA-N 446.555 3.684 0 40 IHAB Cc1cc(CN2C[C@@H](C(=O)NC(C)C)[C@H](c3ccnc(N4CCCCC4)n3)C2)c(C)s1 19568002 BGAYBKITERUTFZ-NHCUHLMSSA-N 441.645 3.885 0 40 IHAB O=C(c1sc2ncccc2c1[C@@H]1CN(CC2CCCCC2)CCO1)N1CCOCC1 19703184 NDGSMZCLPGXWHB-IBGZPJMESA-N 429.586 3.722 0 40 IHAB CCc1nnsc1C(=O)N1CCCC[C@@H]1c1nc(C)c2c(n1)N(CC1CC1)CCC2 19706252 KLVXSWAWJLXSMJ-GOSISDBHSA-N 426.590 3.729 0 40 IHAB CC(C)N1CC[C@@H](c2c(CNC(=O)c3cc(C(F)(F)F)[nH]n3)cnn2-c2ccccc2)C1 19707991 RYYTYIMQJDYMAX-OAHLLOKOSA-N 446.477 3.742 0 40 IHAB CCOC(=O)[C@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@H]1c1cccnc1 19820515 WTGZKMNSGRRSFJ-PKTZIBPZSA-N 440.503 3.789 0 40 IHAB COc1cc(CNCCN(C)C)cc(I)c1OCc1ccccc1 19922808 JOOOKCXEKFFGLN-UHFFFAOYSA-N 440.325 3.530 0 40 IHAB COc1c(Cl)cc(C(=O)O)cc1NC(=S)NC(=O)c1ccccc1Br 20151749 VCGFAESOGRRDAK-UHFFFAOYSA-N 443.706 3.936 0 40 IHAB COc1ccc(NC(=O)Nc2ccc(OCc3cc(=O)n4ccccc4n3)cc2)cc1OC 21156679 OZSVDGUZQDFQCY-UHFFFAOYSA-N 446.463 3.935 0 40 IHAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cc(-c4cccs4)on3)cc2)n1 21786042 LEMDZRARIRUROS-UHFFFAOYSA-N 441.494 3.555 0 40 IHAB Cc1ccc(OCCNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1 22280502 NOBXYTYPIZFBGO-UHFFFAOYSA-N 438.549 3.694 0 40 IHAB CCOc1ccccc1CNC(=O)CN(c1ccccc1F)S(=O)(=O)c1cccs1 22396803 URCQPHRWRPMJEE-UHFFFAOYSA-N 448.541 3.798 0 40 IHAB Cc1ccccc1CSCCNC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1 22512142 OOOCWCJKDNJGGP-UHFFFAOYSA-N 432.611 3.584 0 40 IHAB Cc1cc(-n2c(C)cc(/C=C/C(=O)NC[C@H](c3cccs3)N3CCOCC3)c2C)no1 23200068 OPBPBLZVRMCIHB-ROUKRRSUSA-N 440.569 3.655 0 40 IHAB O=C1CCCN1Cc1cccc(C(=O)N2CCN(Cc3cccc4ccccc34)CC2)c1 23990285 IHUXQBUWIVWGBJ-UHFFFAOYSA-N 427.548 3.920 0 40 IHAB COc1ccc(F)cc1CN1CCN(C(=O)NCc2cccc(C(F)(F)F)c2)CC1 24573797 FZSIGKTYPWBELI-UHFFFAOYSA-N 425.426 3.881 0 40 IHAB CC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2)c1 24607283 JITVMHBMAZXFBS-UHFFFAOYSA-N 434.945 3.723 0 40 IHAB COCCCn1c(=O)c2ccccc2n2c(=S)n(CN(C3CCCC3)C3CC3)nc12 24656449 LCEAXBHLUBUGKX-UHFFFAOYSA-N 427.574 3.581 0 40 IHAB CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 29268760 YQBHIFHXIOVIJV-QFIPXVFZSA-N 433.556 3.793 0 40 IHAB CCN(Cc1csc(-c2ccc(C)o2)n1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 29695893 FOQPNBGDVZJLDN-UHFFFAOYSA-N 440.525 3.987 0 40 IHAB CC(C)[C@@H](C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1)N1Cc2ccccc2C1=O 32092068 XBLGTAGBTZYBGL-NRFANRHFSA-N 426.944 3.831 0 40 IHAB COCCCn1c(=O)c2ccccc2n2c(SCc3ccc(OC)c(F)c3)nnc12 32721672 MQEWKYFLGIRYQJ-UHFFFAOYSA-N 428.489 3.521 0 40 IHAB O=C(c1ccccc1)N1CCN(CC(=O)N2c3ccccc3OC[C@H]2c2ccccc2)CC1 36446988 JURSQTHIZGIACY-DEOSSOPVSA-N 441.531 3.611 0 40 IHAB COc1ccc(Cn2ccc3nc4ncnn4c(-c4ccccc4Cl)c3c2=O)cc1OC 40398085 GQLXYXPFQYEFRL-UHFFFAOYSA-N 447.882 3.825 0 40 IHAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@H](C)Oc1cc(C)cc(C)c1C 44903796 ITYRSGGIGPOCQR-KRWDZBQOSA-N 434.558 3.713 0 40 IHAB COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1Cc1nc(-c2cccc(C)c2)no1 48326569 QTRJSKZUSJNALJ-LJQANCHMSA-N 437.496 3.725 0 40 IHAB O=C(Nc1ccc2c(c1)C(=O)N1CCCC[C@@H]1CCO2)c1cncc(Br)c1 49524328 MUCFGKLCALFYEK-MRXNPFEDSA-N 430.302 3.874 0 40 IHAB CC(C)CC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cccs3)cc2)CC1 57316600 QMRJHJLEUITVPL-UHFFFAOYSA-N 430.599 3.570 0 40 IHAB O=C(c1ccc2c(c1)OCCO2)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 57317239 YVXMSEPRPZMFAT-UHFFFAOYSA-N 430.785 3.630 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)Cn1c(-c2cccc(Cl)c2)nc(C)cc1=O 57526809 QSVHGUXMLKIIQZ-UHFFFAOYSA-N 425.872 3.688 0 40 IHAB CCCOc1ccc(O[C@@H]2CCCC[C@@H]2NC(=O)c2cnc3ccc(C)cn3c2=O)cc1 78814423 GBLOGLAVEUQFBT-FCHUYYIVSA-N 435.524 3.912 0 40 IHAB O=C(OCc1cn(-c2ccc(Cl)cc2)nn1)C1CCN(c2ccc(Cl)cn2)CC1 89793893 UKMNGGBEKSWCLM-UHFFFAOYSA-N 432.311 3.929 0 40 IHAB Cc1ccc(Cl)cc1S(=O)(=O)NCc1ccc(-c2nn3c(C)nnc3s2)cc1 95116507 USSQOFNHMFKNOD-UHFFFAOYSA-N 433.946 3.602 0 40 IHAB COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)c(OC)c1 95483636 JHOANXJVAKMHAI-ZLNRFVROSA-N 430.460 3.755 0 40 IHAB CC(C)n1cnc2c(-c3cccnc3)nc(C3CCN(C(=O)c4cnccn4)CC3)cc21 96100018 OFUJOUDSMRNXOT-UHFFFAOYSA-N 427.512 3.884 0 40 IHAB CCCN(CCOC)C(=O)[C@H]1C[C@]2(CO1)c1ccccc1CN2Cc1cccc(OC)c1 96143964 CSBJNEYONGOKBK-RSXGOPAZSA-N 438.568 3.580 0 40 IHAB Cc1nc(Cn2cnc(-c3cc(C(=O)NCc4ccncc4)c4ccccn34)c2)cs1 96154923 MFFSUTAAKUIZDG-UHFFFAOYSA-N 428.521 3.941 0 40 IHAB CC(C)[C@H](NC(=O)Cc1ccccc1F)c1cc(O)n2nc(C3CCOCC3)cc2n1 100730021 CRLONRJVOLIYEZ-QHCPKHFHSA-N 426.492 3.524 0 40 IHAB Cc1ccc(NC(=O)CSc2nnc([C@H](C)NC(=O)c3ccccc3Cl)n2C)cc1 107930962 FDSAMZFVUCTWBL-AWEZNQCLSA-N 443.960 3.999 0 40 IHAB CCOc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2ccc(OCC)cc2)S(C)(=O)=O)cc1 216427450 NFIISCFEYWVQAX-SJORKVTESA-N 434.558 3.516 0 40 IHAB COc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 220203180 XFVDXMSXTHMIKZ-KGLIPLIRSA-N 444.475 3.746 0 40 IHAB CC[C@@H](C(=O)NCCCc1ccc(Cl)cc1)N(c1cccc(OC)c1)S(C)(=O)=O 220626397 LSPIONNQAFQZHK-FQEVSTJZSA-N 438.977 3.642 0 40 IHAB CC[C@@H](NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1)c1ccc(OC)c(OC)c1 222591831 FIWIQPNWMAJSKL-LJQANCHMSA-N 432.542 3.515 0 40 IHAB COC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 223960259 XCMGWIVQBAYIKU-UHFFFAOYSA-N 428.441 3.665 0 40 IHAB COc1cccc(CN(C)C(=O)c2ccc(CN(C)S(=O)(=O)c3ccccc3)cc2)c1 224518212 XDDOZANQPAFUGI-UHFFFAOYSA-N 438.549 3.788 0 40 IHAB CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(Br)cc1 224656405 SDTKVYRCRBKZBR-INIZCTEOSA-N 433.346 3.771 0 40 IHAB O=C(NCCCc1cccc2ccccc12)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 225514708 JZPNPRGLODVRRE-QFIPXVFZSA-N 436.577 3.990 0 40 IHAB Cc1ccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)C(=O)C(F)(F)F)cc1Cl 226400830 BTNBWUOESNLRPD-IFMAEWBWSA-N 438.833 3.554 0 40 IHAB Nc1ncc(-c2ccc(F)cc2)c([C@H]2CCCCN2C(=O)c2ccc(-n3cccn3)nc2)n1 257309738 UCFIAQUSLBAWKU-HXUWFJFHSA-N 443.486 3.813 0 40 IHAB COc1cccc(C[C@H]2CC[C@@H]3CN(C(=O)c4ccccc4CN4CCOCC4)C[C@@H]32)c1 257326375 WWZIUGYSZRQMBO-WHSBFGAESA-N 434.580 3.868 0 40 IHAB O=C(O)c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)cc1 260927033 XVXOXQSUVIXLPC-BVYCBKJFSA-N 448.548 3.722 0 40 IHAB O=C(O)CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)C1=O 408595423 WTKVPBQRAHWBCZ-VIZOYTHASA-N 439.226 3.689 0 40 IHAB O=C(Cc1nnc(O)c2ccccc12)Nc1ccc(CC(=O)N2CCc3ccccc32)cc1 522817868 JPHGIHPKVODRGU-UHFFFAOYSA-N 438.487 3.648 0 40 IHAB COC(=O)C1(c2ccc(S(=O)(=O)Nc3cc(C)nn3-c3ccc(Cl)cc3)cc2)CC1 540646278 FKVMOHOXRQRXGV-UHFFFAOYSA-N 445.928 3.840 0 40 IHAB CCOC(=O)c1cnn2ccc(NC(=O)COc3ccc(C(=O)c4ccccc4)cc3)cc12 1611300290 QBJQOJKOBWFYQM-UHFFFAOYSA-N 443.459 3.760 0 40 IHAB Cc1cc2n(n1)C1(CCN(C(=O)c3ccc(Cl)cc3)CC1)CC(=O)N2Cc1ccncc1 1772596545 QXSWPZHDVWUOMU-UHFFFAOYSA-N 449.942 3.808 0 40 IHAB Cc1cnccc1OCC1CCN(S(=O)(=O)c2ccccc2Br)CC1 1889217637 RKPLFYGGPVUVOZ-UHFFFAOYSA-N 425.348 3.632 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(Br)cc3)C2)cc1 792269 XXHNYNAPMFUPNJ-OAHLLOKOSA-N 437.359 3.797 0 40 IHAB Cc1c(N[C@@H](NC(=O)c2cccs2)C(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 1107424 IPQZXZHQZKFALK-QFIPXVFZSA-N 446.532 3.597 0 40 IHAB COc1cccc(C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)Cc2ccccc2OC)c1 1359104 JRIXOBNJNZQCHM-UHFFFAOYSA-N 429.476 3.783 0 40 IHAB O=C(NC(=S)Nc1ccc2[nH]c(=O)[nH]c2c1)c1cccc2c(Br)cccc12 2234552 ZROVWOATAZQLQW-UHFFFAOYSA-N 441.310 3.899 0 40 IHAB O=c1c2ccccc2nnn1CSc1nnc(-c2cccs2)n1Cc1ccccc1 2661724 JAJRLWYJKXCGAY-UHFFFAOYSA-N 432.534 3.910 0 40 IHAB CCOC(=O)c1c(C2CC2)csc1NC(=O)CSc1nnnn1-c1ccccc1 2663799 HTENBKLBTFQJGB-UHFFFAOYSA-N 429.527 3.509 0 40 IHAB C[C@H](Sc1ncc(S(=O)(=O)c2ccc(Cl)cc2)c(O)n1)C(=O)Nc1ccccc1 2698658 SVOATBRVTAQRJN-LBPRGKRZSA-N 449.941 3.788 0 40 IHAB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 3263399 PIJZMVYFEPGNLN-UHFFFAOYSA-N 425.448 3.970 0 40 IHAB CCc1cccc(C)c1NC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 3349959 JICFCZPIYJUCMT-UHFFFAOYSA-N 427.504 3.992 0 40 IHAB CCCCn1c(SCc2cc(C(C)=O)ccc2OC)nc2cc(S(N)(=O)=O)ccc21 6147699 NRIQVLVPVFZDRG-UHFFFAOYSA-N 447.582 3.987 0 40 IHAB CCN(c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(Cl)cc3)C2=O)cc1)C(C)C 8623265 GDJSCLKFBHRFPG-HSZRJFAPSA-N 442.947 3.980 0 40 IHAB COc1cc2c(c3oc(=O)c(CC(=O)NCCCCCC(=O)O)c(C)c13)CCC(C)(C)O2 8765147 UKQXWNYNWVWRBL-UHFFFAOYSA-N 445.512 3.517 0 40 IHAB biogenic COc1ccc2c(c1OC)C(=O)N1[C@@H]2SC(C)(C)[C@H]1C(=O)NCc1ccc(C)cc1 8952662 SJPNLIGUORLXEH-DENIHFKCSA-N 426.538 3.677 0 40 IHAB biogenic Cc1cccc(-c2nnc(SCC(=O)NC(=O)NC3CCCC3)n2Cc2ccco2)c1 9126417 VXMCKKQEFOOAIV-UHFFFAOYSA-N 439.541 3.755 0 40 IHAB Cc1csc(N(C(=O)[C@H]2Cc3ccccc3CN2S(C)(=O)=O)c2ccccc2)n1 9167605 FRUDVFHIAIQPMW-LJQANCHMSA-N 427.551 3.503 0 40 IHAB O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCN(c2ccccc2F)CC1)c1ccccc1 9204278 AJHPHDFNIHWDPG-QHCPKHFHSA-N 431.511 3.516 0 40 IHAB COc1ccc(C(=O)Nc2ccc3c(c2)nc(CCNC(=O)c2ccccc2)n3C)cc1 9243228 UTMPLHDPKXMILZ-UHFFFAOYSA-N 428.492 3.807 0 40 IHAB Cc1ccc(C)c(NC(=O)CSc2nnc(Cn3c(=O)sc4ccccc43)n2C)c1 9413121 MZCZGSYAAWWUQB-UHFFFAOYSA-N 439.566 3.587 0 40 IHAB O=C1NC2(CCCC2)C(=O)N1CCCC(=O)N1CCCC[C@H]1c1nc2ccccc2s1 9449348 GMSRFIYDPNNRGV-KRWDZBQOSA-N 440.569 3.995 0 40 IHAB COc1cc2c(cc1NC(=O)C(=O)NCCc1ccc(OC)c(OC)c1)oc1ccccc12 9486650 JJAGPTFNYKBBDS-UHFFFAOYSA-N 448.475 3.909 0 40 IHAB COc1cccc(-c2nnc(SCC(=O)Nc3c(C)n[nH]c3C)n2Cc2ccco2)c1 9507380 SOWRFVKQLBMFKM-UHFFFAOYSA-N 438.513 3.666 0 40 IHAB CN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc(C(=O)Nc2ccc3sccc3c2)cc1 9599568 HVVQVHXSQCAIMQ-SFHVURJKSA-N 430.551 3.953 0 40 IHAB COc1cc(OC)cc(C(=O)Nc2nc(CC(=O)N[C@H](C)c3ccccc3)cs2)c1 9659215 FASTVIVQTQRZEL-CQSZACIVSA-N 425.510 3.833 0 40 IHAB Cc1cc(NS(=O)(=O)c2cc3c4c(c2)[C@H](C)C(=O)N4CCC3)ccc1Br 9708644 SBAVBCUGTKLDCP-LBPRGKRZSA-N 435.343 3.955 0 40 IHAB c1ccc(Cn2c(SCc3nc(-c4cccs4)no3)nnc2N2CCOCC2)cc1 9724123 ZORJGDBQFSANPL-UHFFFAOYSA-N 440.554 3.567 0 40 IHAB Cc1cc(Br)ccc1NC(=O)CNC(=O)NCCCc1nc2ccccc2[nH]1 9756415 QZINYZKSIBAAPM-UHFFFAOYSA-N 444.333 3.504 0 40 IHAB CCOc1c(Cl)cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc1OC 9973020 SVRRYWQTCGGJTJ-WJDWOHSUSA-N 438.933 3.796 0 40 IHAB COc1ccc(S(=O)(=O)NCCCc2ccc(C)cc2)cc1C(=O)N1CCCCC1 10110548 JSUWVDBVRPBXLM-UHFFFAOYSA-N 430.570 3.541 0 40 IHAB Cc1ccc(C)c(N([C@@H](C)C(=O)NCCSCc2ccccc2F)S(C)(=O)=O)c1 10281905 UBAGMFWQVGCAMC-KRWDZBQOSA-N 438.590 3.647 0 40 IHAB Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)OCC(=O)N[C@H]4CCCC[C@H]4C)cc3C2=O)c1 11184909 OIGSXDCTTRQHGT-IERDGZPVSA-N 448.519 3.956 0 40 IHAB NC(=O)c1ccc(NC(=O)c2nn(-c3ccc(F)cc3)cc2OCc2ccccc2)cc1 11694443 HGQLQGSMESCWDH-UHFFFAOYSA-N 430.439 3.942 0 40 IHAB COc1ccc(C(=O)CCC(=O)N2CCC(c3noc(-c4ccncc4)n3)CC2)c(C)c1 12669415 BTRSKGYCNKSYHF-UHFFFAOYSA-N 434.496 3.818 0 40 IHAB CCOc1ccccc1NC(=O)[C@H](C)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 12731811 UZMAIMZPQCOPHX-KRWDZBQOSA-N 438.524 3.778 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)CCc2c(C)noc2C)c1 12798071 MLZRWNFJDVNREW-UHFFFAOYSA-N 437.562 3.680 0 40 IHAB Cc1ccc2c(c1)C(=O)C[C@@H]([C@@H]1CCCN(C(=O)c3cc(-c4cnn(C)c4C)on3)C1)O2 13227499 DZHNAVJTGGCEGS-ZHRRBRCNSA-N 434.496 3.578 0 40 IHAB Sc1nnc(Cn2c(-c3ccccn3)nc3ccccc32)n1-c1cccc2nonc12 13691488 CEGNRBPOVBTOIG-UHFFFAOYSA-N 426.465 3.552 0 40 IHAB O=C(Nc1ccccc1)N1CCC(NS(=O)(=O)c2c(Cl)cccc2Cl)CC1 14207771 FFQQQKQTZQZCCV-UHFFFAOYSA-N 428.341 3.968 0 40 IHAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)CSc1nnc(-c2ccc(F)cc2)n1C 14705798 OJCAQQYLMUXDIC-UHFFFAOYSA-N 436.516 3.558 0 40 IHAB O=C1CN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)c2ccccc2N1 16045316 JVXHFVUIPUFYQN-UHFFFAOYSA-N 447.944 3.504 0 40 IHAB COc1cc(NC(=O)Cn2c(C)nc3c(sc4cccc(F)c43)c2=O)cc(OC)c1 16842239 ZYMSPNUPYIGCPI-UHFFFAOYSA-N 427.457 3.715 0 40 IHAB COc1ccc(-c2noc(COC(=O)C[C@@H]3c4ccccc4C=CN3C(C)=O)n2)cc1OC 18746847 UDLWDKZXLKKOCH-LJQANCHMSA-N 449.463 3.761 0 40 IHAB Cc1nc(CC(=O)N2CCC(c3nc(NC4CC4)ncc3-c3ccncc3)CC2)cs1 19285556 OYEXTVXKHANMHZ-UHFFFAOYSA-N 434.569 3.827 0 40 IHAB CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2ccccc2F)CCN(C(=O)c2cnccn2)C1 19449514 QKMOKIWOIXYUQR-AREMUKBSSA-N 446.526 3.882 0 40 IHAB COc1ccc(C(=O)[C@H]2CCCN(C(=O)c3cc(-c4ccc5c(c4)OCO5)on3)C2)cc1 19553204 FRUDJSLDVIRKQE-KRWDZBQOSA-N 434.448 3.814 0 40 IHAB Cc1cc(Cc2cccc(C(F)(F)F)c2)cc(C2CCN(S(=O)(=O)N(C)C)CC2)n1 19691671 OWCSNQKIBMBGAF-UHFFFAOYSA-N 441.519 3.985 0 40 IHAB CSc1nc2nc(C)c(CCC(=O)Nc3nnc(-c4ccccc4)s3)c(C)n2n1 20016118 BPGKUZRXWJEKTD-UHFFFAOYSA-N 425.543 3.553 0 40 IHAB Cc1ccc(F)cc1NC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 20020798 KIENTSWHLDOBTB-UHFFFAOYSA-N 440.496 3.903 0 40 IHAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc(O)n2CCc2ccccc2)c1C 21369566 ANBFGNYRDDOSHF-OAHLLOKOSA-N 442.541 3.712 0 40 IHAB COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)Nc2ccccc2OC(F)(F)F)c1OC 21759742 SUCDCLSPDWSNRD-BQYQJAHWSA-N 447.387 3.501 0 40 IHAB CC(=O)c1ccccc1NC(=O)COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 21762870 FKATWADHSHDDDT-UHFFFAOYSA-N 449.429 3.701 0 40 IHAB CC(C)n1cnc2nc(COc3ccc(NC(=O)c4cccc(Cl)c4)cc3)cc(=O)n21 21797033 QQZGVAYODWRMPM-UHFFFAOYSA-N 437.887 3.957 0 40 IHAB Cc1ccc(NC(=O)c2ccc(F)cc2)cc1OCc1cc(=O)n2c(ncn2C(C)C)n1 21797057 LRIDTOQPYRYIAM-UHFFFAOYSA-N 435.459 3.751 0 40 IHAB CCOC(=O)Cc1csc(NC(=O)[C@H](NC(=O)c2ccc(Cl)cc2)[C@@H](C)CC)n1 22282554 RBYCCXYIVDCOIC-YVEFUNNKSA-N 437.949 3.685 0 40 IHAB O=C(NCCCc1ccccc1Cl)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 22526003 UEYDDIWOZYTKHQ-MRXNPFEDSA-N 426.991 3.551 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)Cn1cnc2c(-c3ccccc3)csc2c1=O 23126464 RKROBOQISMONFF-UHFFFAOYSA-N 433.489 3.940 0 40 IHAB O=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1nc(-c2cccs2)no1 24981701 STHPAUHQDWPKHB-QHCPKHFHSA-N 430.489 3.988 0 40 IHAB O=C(CSCc1cc(=O)n2ccsc2n1)N[C@H](c1ccccc1)c1cccs1 25775695 KQLNPCOEADBONL-LJQANCHMSA-N 427.576 3.957 0 40 IHAB O=C(c1cc(C2CC2)nc2ccccc12)N1CCC(NS(=O)(=O)c2cccs2)CC1 26113338 MUUWJBJKNVUNEB-UHFFFAOYSA-N 441.578 3.757 0 40 IHAB O=C(NCc1ccccc1Cn1cccn1)[C@H]1CCCC[C@H]1C(=O)N1CCc2ccccc21 27254491 SVZIWBNIDYCWSP-BJKOFHAPSA-N 442.563 3.943 0 40 IHAB CC(=O)Nc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2-n2cccc2)cc1 27526645 HQMYQIBUBJHJLA-UHFFFAOYSA-N 446.536 3.671 0 40 IHAB COc1cccc(NC(=O)NC[C@@H]2C=C(C)[C@H](CC(=O)N3CCOCC3)C[C@H]2C(C)C)c1 30880940 RYNZBLYTXWUADI-JTAQYXEDSA-N 443.588 3.920 0 40 IHAB biogenic,in-vitro Cc1cc(C(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)c2ccccc2n1 32808564 PARCQRZHQUESCI-UHFFFAOYSA-N 435.549 3.921 0 40 IHAB CN(C[C@H]1COc2ccccc2O1)C(=O)Cn1c(COc2ccccc2)nc2ccccc21 32966800 PZOUTNIKEGZQQT-FQEVSTJZSA-N 443.503 3.914 0 40 IHAB COC(=O)c1ccccc1NC(=S)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 35312720 HWNGABCQVHTQRI-UHFFFAOYSA-N 440.521 3.536 0 40 IHAB Cn1nc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c2c1NC(=O)C[C@H]2c1ccco1 35597882 LRCOPOORNBDOCM-AWEZNQCLSA-N 428.876 3.937 0 40 IHAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)[C@H](C)C(=O)Nc1ccc(Cl)cc1F 36403454 XZKZNCDDTGTCIB-UONOGXRCSA-N 446.910 3.502 0 40 IHAB CC[C@H](C)[C@@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)N1CCSCC1 36593951 SXLUDOXHUCJRIV-HNAYVOBHSA-N 442.610 3.807 0 40 IHAB COc1cc(Br)c(S(=O)(=O)NC[C@H]2CCCc3ccccc32)cc1OC 36731036 GYBCVJSTSUJOIO-CQSZACIVSA-N 440.359 3.865 0 40 IHAB COC(=O)c1cc(F)ccc1NC(=O)N1CCc2[nH]cnc2[C@H]1c1cccc(F)c1F 40267001 AAOWJLXITPPMDP-LJQANCHMSA-N 430.386 3.793 0 40 IHAB Cc1ccc(NC(=O)C(=O)NCC2CCN(C(=O)Oc3ccccc3)CC2)cc1Cl 43941941 POQZJCOIUMXQJL-UHFFFAOYSA-N 429.904 3.614 0 40 IHAB Cc1ccc(C)c([C@H](C)NC(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 44905959 LVVSFIPKAZELRX-MGPUTAFESA-N 436.961 3.751 0 40 IHAB CC(C)c1ccc(-n2cnnc2SCC(=O)N[C@H](Cn2ccnc2)C(C)(C)C)cc1 48341468 IUTALPROXDALAL-LJQANCHMSA-N 426.590 3.910 0 40 IHAB O=S(=O)(c1ccc(SCCCc2nc(-c3ccccc3)no2)nc1)N1CCCC1 57946209 DYMIOPNZHYMQMG-UHFFFAOYSA-N 430.555 3.641 0 40 IHAB CCSc1nnc(NC(=O)[C@H]2CCCN(Cc3nc(-c4cccs4)no3)C2)s1 62022941 MCWMSLRDLQMGCH-NSHDSACASA-N 436.588 3.612 0 40 IHAB C[C@@H](NC(=O)CCn1nc(-c2ccc(Br)cc2)ccc1=O)c1ccccc1 67261668 TYBBJDYWZIUYDZ-OAHLLOKOSA-N 426.314 3.940 0 40 IHAB COc1cc(CN2CCC[C@@H]2c2ccc(Nc3cccc(C)n3)cn2)ccc1OCC(N)=O 72353183 MUEXRPOAEGWNRG-OAQYLSRUSA-N 447.539 3.738 0 40 IHAB CC(C)C(=O)N1CCC(c2cc3nc4c(c(O)n3n2)CN(C[C@@H]2CC=CCC2)CC4)CC1 72398765 ZJZWIZBMFPTGAB-GOSISDBHSA-N 437.588 3.511 0 40 IHAB C[C@@H]1CN(CC(=O)NCC(=O)Nc2ccccc2Br)c2ccccc2S1 79074712 YHWHVEVKZSTRDA-CYBMUJFWSA-N 434.359 3.505 0 40 IHAB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)Oc2cnn(C)c2)cc1OC 84318712 VBLIUNKJEGXDSA-ZRDIBKRKSA-N 430.464 3.909 0 40 IHAB CCOC(=O)C[C@H](C)CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 89983631 PMNOSDACLXBVMK-DZGCQCFKSA-N 429.344 3.551 0 40 IHAB COC(=O)CN(CCC(F)(F)F)C(=O)CCNc1ncc(C(F)(F)F)cc1Cl 95409559 GQAKVQQXNPDYLV-UHFFFAOYSA-N 435.752 3.510 0 40 IHAB COc1cc(NC(=O)CN2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)cc(OC)c1OC 95446868 OPDFJNPFVBONFG-MRXNPFEDSA-N 438.528 3.715 0 40 IHAB O=C(NCCOc1ccccc1)C1CCN(c2cc(-n3ccc4ccccc43)ncn2)CC1 96124052 XWKGONHDOOVCTQ-UHFFFAOYSA-N 441.535 3.832 0 40 IHAB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccccc3)N2S(=O)(=O)c2ccc(C)cc2)cc1 98086476 KONAWPLBZBEDLR-AXWGZAFASA-N 427.547 3.849 0 40 IHAB O=C(Nc1ccc(Br)cc1)C1CCC(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)CC1 102081802 PBVMTJBZCLRUEN-QKVYOWHYSA-N 445.357 3.978 0 40 IHAB COc1cc(NC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)c(OC)cc1Cl 222557711 GAOMSBZSVUDXED-UHFFFAOYSA-N 440.949 3.851 0 40 IHAB O=C(NCc1ccc2ccccc2c1)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 222792559 PHLNHPAPXVTMFK-UHFFFAOYSA-N 440.540 3.837 0 40 IHAB CCCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C)cc2Br)ccc1OC 223041432 XWBMNGDQWNWIPL-UHFFFAOYSA-N 441.347 3.707 0 40 IHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(CC)cc1Br 223535122 KLIPPTFAABFHJY-MRXNPFEDSA-N 447.373 3.944 0 40 IHAB CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1cc(OC)cc(OC)c1 223830337 NAYSJPXBSLZZHK-INIZCTEOSA-N 448.947 3.680 0 40 IHAB COc1ccccc1OCCNC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1C 224078891 PIIFZVGEXQTGRA-UHFFFAOYSA-N 440.521 3.613 0 40 IHAB CCN(c1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1)S(=O)(=O)c1ccccc1 224359391 WTQMXUQQSUPLPM-UHFFFAOYSA-N 438.505 3.925 0 40 IHAB CCCC[C@@H](CC)CNC(=O)CCCN(c1ccc(OC)cc1OC)S(C)(=O)=O 224710217 STSNOKNALAGATP-QGZVFWFLSA-N 428.595 3.583 0 40 IHAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCc1ccc2c(c1)OCO2 225278944 FPJPICJQLVLOQP-HXUWFJFHSA-N 428.504 3.821 0 40 IHAB C[C@@H]1C[C@@H](C)CN(c2cc(N3CCOCC3)nc(NC(=S)NC3CCCCCC3)n2)C1 226010145 VEUNNLQPCUJBAR-QZTJIDSGSA-N 446.665 3.805 0 40 IHAB COc1ncccc1C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(C)=O)[C@@H]2Cc1ccccc1 257325226 WRZVVPUFDUTEOW-KDHQNNTKSA-N 433.552 3.706 0 40 IHAB Cc1ccc2c(c1)[C@H](NC(=O)[C@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1)CC(C)(C)O2 260808246 HMLXMYKFYMWUQB-OXJNMPFZSA-N 446.569 3.577 0 40 IHAB CCc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)c2)cc1 408656096 ILIPXIPSZLDACM-OYRHEFFESA-N 432.476 3.500 0 40 IHAB C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]21 408664034 YOVDDFUIXFDFLT-MFMILTCTSA-N 436.895 3.777 0 40 IHAB Cc1ccc(CN2C[C@H](C(=O)OCC(=O)Nc3cc(Cl)cc(Cl)c3)CC2=O)cc1 409128546 PKSCZKXJXSEZSF-OAHLLOKOSA-N 435.307 3.832 0 40 IHAB Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)cc1Cl 409138984 KTHAVJLBPLCQJN-INIZCTEOSA-N 444.915 3.970 0 40 IHAB O=C(CNS(=O)(=O)c1cc(Cl)ccc1Cl)Nc1ccccc1C(F)(F)F 409173998 PCISYLFFRBCZDM-UHFFFAOYSA-N 427.231 3.929 0 40 IHAB COC(=O)CN1C(=O)/C(=C/c2ccc(OCc3cccc4ccccc34)cc2)NC1=S 409202160 PLZPRAMWFDZWJP-BKUYFWCQSA-N 432.501 3.649 0 40 IHAB COc1cc(OC)c(/C=C2\SC(=O)N(CC(=O)N3CCCCCC3)C2=O)cc1Cl 409217927 RRDTXLHKNHSKGD-YVLHZVERSA-N 438.933 3.796 0 40 IHAB CCOc1cc(C(=S)N2CCOCC2)ccc1OCC(=O)Nc1ccc(C)cc1C 409234335 ZKGULGWSLMDSSO-UHFFFAOYSA-N 428.554 3.727 0 40 IHAB O=C(c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1)N1CC2(CCOC2)C1 567423350 LJRNYKQQTKJZMM-UHFFFAOYSA-N 434.443 3.877 0 40 IHAB O=C1NCCN(C(=O)CCCOc2cccc(F)c2)[C@H]1Cc1ccc(-c2ccncc2)cc1 585168995 IFXCUMCPKGOJBU-DEOSSOPVSA-N 447.510 3.616 0 40 IHAB Cc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)NCc1sc(-c2ccccc2Cl)nc1C 585239429 PUYQZGQBDMYUAX-ZDUSSCGKSA-N 446.985 3.990 0 40 IHAB O=C(N[C@@H]1N=C(c2ccccc2F)c2cccc3c2N(CC3)C1=O)c1cc2ccccc2[nH]1 538217 WKJDXKWFGJWGAS-DEOSSOPVSA-N 438.462 3.803 0 40 IHAB in-vitro CCOC(=O)COc1c(Cl)cc(/C=C2/N=C(c3ccc(OC)cc3)OC2=O)cc1OC 623283 NOKBOMLGUXSMLU-LICLKQGHSA-N 445.855 3.644 0 40 IHAB CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(OC(C)C)cc3)cc2)s1 888842 NUXXDTQFJFCQCC-UHFFFAOYSA-N 446.554 3.941 0 40 IHAB COc1ccc(-c2nnn(CC(=O)N(C3CCCCC3)C3CCCCC3)n2)cc1OC 917791 SAAFFHYIQACXOZ-UHFFFAOYSA-N 427.549 3.851 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C)cc3)CC2)c2cccnc12 1089997 BBRSCKBTVYYXST-UHFFFAOYSA-N 439.537 3.591 0 40 IHAB CCOc1ccc(S(=O)(=O)Nc2ccc3oc(C)c(C(=O)OCCOC)c3c2)cc1 1803005 PYAGPKDDPVXYHV-UHFFFAOYSA-N 433.482 3.744 0 40 IHAB COc1cc(-c2nc3s/c(=C\c4ccc(C(C)C)cc4)c(=O)n3n2)cc(OC)c1OC 2375265 DOCRICDFDRMCDT-GRSHGNNSSA-N 437.521 3.515 0 40 IHAB COc1ccc(-c2c(C)oc3cc(OC(=O)N4CCOCC4)ccc3c2=O)cc1OC 2413298 LGPQYJPJQLDTSX-UHFFFAOYSA-N 425.437 3.617 0 40 IHAB biogenic CCOC(=O)[C@@H](C)Oc1cccc2c(=O)n(CC(=O)Nc3ccc(C)c(Cl)c3)ccc12 2712307 CNQAGJXZWOFLKP-OAHLLOKOSA-N 442.899 3.932 0 40 IHAB COc1ccc(OC)c(N2C[C@](O)(c3ccc(OC(F)F)cc3)[N+]3=C2CCCCC3)c1 2974546 SIANYSSKNPKONY-QHCPKHFHSA-N 433.475 3.956 0 40 IHAB CSCC[C@H](NC(=O)[C@H](C)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)O 3071213 GOJXFELDYVOARB-LIRRHRJNSA-N 441.505 3.550 0 40 IHAB biogenic COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)c1ccc2c(c1)NC(=O)CS2 3325680 ZDPUOWSMKXZRQU-UHFFFAOYSA-N 428.510 3.832 0 40 IHAB O=C(Nc1cccc2ccccc12)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 3435768 NMYCFEIOYXHHGJ-UHFFFAOYSA-N 430.913 3.766 0 40 IHAB CCc1ccc([C@H]2[C@@H](C(=O)OC(C)(C)C)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OC(C)(C)C)cc1 4112433 AHHPOYJXGWZWQZ-AJGMTHFWSA-N 432.557 3.972 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3ncc(C)s3)cc2)cc1 9129236 MXQRJDMJXONKKE-UHFFFAOYSA-N 431.539 3.603 0 40 IHAB C[C@@H](c1ccccc1)N1C[C@H](C(=O)Nc2cc3c(cc2Br)OCCO3)CC1=O 9223409 FEVRTCBXMNDAFR-DZGCQCFKSA-N 445.313 3.769 0 40 IHAB COC(=O)c1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2cccnc2)N2N=CNC2=N3)cc1 9309805 XVQRXKPXDKBDBP-DHIUTWEWSA-N 437.459 3.672 0 40 IHAB CN(Cc1c(F)cccc1Cl)C(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 9317977 SGBWLKHNWIAVTC-UHFFFAOYSA-N 436.892 3.823 0 40 IHAB O=C(CSc1nc2nccnc2c(=O)n1Cc1ccccc1Cl)Nc1ccccc1 9405145 BUKYRUBHQQJVAN-UHFFFAOYSA-N 437.912 3.619 0 40 IHAB O=C(N[C@H](Cc1ccccc1)C(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1 9469642 KKPZGRXVKBVFSW-XMMPIXPASA-N 431.511 3.516 0 40 IHAB Cc1ccc(NC(=O)COC(=O)CCCCCN2C(=O)c3ccccc3C2=O)cc1Cl 9489337 HKIMPDYTDJFHRH-UHFFFAOYSA-N 442.899 3.987 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NS(=O)(=O)c1ccc(F)c(Cl)c1 9539819 PQOBQQBSYLKHDU-UHFFFAOYSA-N 446.953 3.763 0 40 IHAB Nn1c(SCc2nc3ccc(Cl)cc3n2CCO)nnc1-c1ccc(Cl)cc1 9644254 RXKXUOBFHJEZPX-UHFFFAOYSA-N 435.340 3.600 0 40 IHAB COc1ccccc1-c1nnc(SCC(=O)NC(=O)Nc2ccc(C)cc2C)n1C 9690535 BRAHZYYPEBRECQ-UHFFFAOYSA-N 425.514 3.548 0 40 IHAB Cc1ccc(-c2n[nH]c(SCC(=O)Nc3cc(Cl)ccc3-n3cncn3)n2)cc1 9795429 FSXUOKUICUSVHM-UHFFFAOYSA-N 425.905 3.745 0 40 IHAB CCc1ccc(-c2ccc3nnc(SCC(=O)NCCc4ccc(OC)cc4)n3n2)cc1 9829115 ZWPDFXGAMNRJOT-UHFFFAOYSA-N 447.564 3.813 0 40 IHAB O=c1c(Cl)c(NC2CCN(Cc3ccccc3)CC2)cnn1-c1nc2ccccc2[nH]1 9969045 FLEZMAVSUFXLJT-UHFFFAOYSA-N 434.931 3.839 0 40 IHAB CN(C)c1ncc(-c2ccccn2)c(CN(Cc2ccccc2)C(=O)C[C@H]2CCCO2)n1 12089226 CMSPRXGUDDGWHY-HXUWFJFHSA-N 431.540 3.703 0 40 IHAB CCOc1ccc(Br)cc1S(=O)(=O)Nc1cccc(N2CCCC2=O)c1 12552423 NBRLAJINJJKHDD-UHFFFAOYSA-N 439.331 3.775 0 40 IHAB O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)Nc1cccc(N2CCCC2=O)c1 12677711 LRKKHCOMUJLTRP-UHFFFAOYSA-N 444.516 3.891 0 40 IHAB Cc1cccc(NC(=O)CN(C)C(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)c1C 12937887 ULCYIEXRMKUQKS-SFHVURJKSA-N 431.945 3.857 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)c3cccc(Cl)c3)C2)s1 12982282 JSRYQVQCNDXVJJ-HOCLYGCPSA-N 426.991 3.988 0 40 IHAB Cc1ccc(N(Cc2ccco2)C(=O)C2CCN(S(=O)(=O)c3ccn(C)c3)CC2)cc1 13011189 JKNCCCDKHXLBJK-UHFFFAOYSA-N 441.553 3.561 0 40 IHAB CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(Cn3sc4ccccc4c3=O)CC2)cc1 13062055 SOXYHUOQRALONF-KRWDZBQOSA-N 445.610 3.541 0 40 IHAB O=C(COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1ccc2c(c1)CCC2 13100521 CWAKTMDQEVNOKG-UHFFFAOYSA-N 447.457 3.987 0 40 IHAB O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)NC(=O)NCc1ccco1 13141660 PFOSBIWSXZAPGT-UHFFFAOYSA-N 445.504 3.917 0 40 IHAB COc1ccc(CCNC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C2CC2)N3)cc1OC 13465283 IDSHYMHESUXPNC-KBXCAEBGSA-N 438.450 3.570 0 40 IHAB Cc1cc(C)c2cc(CN(Cc3ccco3)C(=S)NC[C@H]3CCCO3)c(=O)[nH]c2c1 13658184 JUWVFMBLRZYEBS-GOSISDBHSA-N 425.554 3.794 0 40 IHAB O=C(NCc1ccccc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 13676798 CETSQYKGJZMTBM-UHFFFAOYSA-N 441.380 3.852 0 40 IHAB Cc1cc(C)c(-c2cc(NC(=O)CSc3nnnn3C)n(-c3ccccc3)n2)cc1C 14076792 PQVJYIFWQONRBZ-UHFFFAOYSA-N 433.541 3.719 0 40 IHAB CN1CCN(C(=O)CN(C)c2cc(-c3nc4ccccc4s3)c3ccccc3n2)CC1 14164986 MZUOQRRAOFXGLL-UHFFFAOYSA-N 431.565 3.722 0 40 IHAB COc1ccc2nc(NC(=S)NC(=O)c3c(F)c(F)c(OC)c(F)c3F)sc2c1 14270054 MRZXKEMESPONEF-UHFFFAOYSA-N 445.419 3.997 0 40 IHAB COCc1nn2c3c(nnc2c1-c1ccc(OC)cc1)C(=O)C[C@H](c1ccccc1O)C3 14607762 UEYYWTSWKLMUEG-OAHLLOKOSA-N 430.464 3.565 0 40 IHAB CO[C@@H]1CCC[C@@H](C(=O)N2CCC[C@@H]([C@@H]3C[C@H](C(F)(F)F)n4nc(C)cc4N3)C2)C1 19127545 HRLKIRRGBAJMAK-HSFUPAIVSA-N 428.499 3.923 0 40 IHAB CNc1cc([C@H]2CCCNC2)nc(CN(C)Cc2ccc(OC3CCCC3)c(OC)c2)n1 19710018 VZGWVNNBEIFBEY-IBGZPJMESA-N 439.604 3.947 0 40 IHAB Cc1nc([C@@H]2CCCN(Cc3ccncc3)C2)nc2c1CCCN2CCc1ccccn1 19752938 SJMOVSWEDYBAOV-JOCHJYFZSA-N 428.584 3.950 0 40 IHAB COc1ccc(CCC2CCN([C@@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)cc1OC 19890254 MHSQIEXMYRBMHO-OAQYLSRUSA-N 440.515 3.820 0 40 IHAB O=C(N[C@H]1CCCc2ccccc21)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 19931112 SPZKBMNDRCJKFB-ZEQRLZLVSA-N 434.561 3.770 0 40 IHAB CCOC(=O)N[C@]1(C(F)(F)F)N=C(c2ccccc2)N(CCc2ccccc2OC)C1=O 20547642 SOWNXVVDMHRSBX-OAQYLSRUSA-N 449.429 3.531 0 40 IHAB Cc1ccc(NC(=O)[C@@H](C)N2CCN(CCc3ccccc3)CC2)c(Br)c1 22912232 CHWOYLAOQFMDMS-GOSISDBHSA-N 430.390 3.945 0 40 IHAB O=S(=O)(c1cccc(Br)c1)N1CCN(Cc2cccc3cccnc23)CC1 24207345 FTECZMIFWJURPS-UHFFFAOYSA-N 446.370 3.504 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3csc(-c4ccsc4)n3)CC2)cc1 25917135 ALHWHOSHMDNMLD-UHFFFAOYSA-N 447.607 3.717 0 40 IHAB C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccc(-n2cncn2)cc1 26065684 ARDYAPOHVHDSDP-UWJYYQICSA-N 435.528 3.581 0 40 IHAB O=C(NC1CC1)c1ccc(CN(C(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)C2CC2)cc1 26113708 CQMPRJZTAQRRHU-HSZRJFAPSA-N 447.535 3.501 0 40 IHAB Cc1ccc([C@H](CNC(=O)c2cc(=O)c3cc(Cl)ccc3o2)N2CCOCC2)cc1 28289495 OFKFZGYOOIUZFM-IBGZPJMESA-N 426.900 3.558 0 40 IHAB C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)c2ccccc2CCc2ccccc2)CC1 29363004 NLQMIVXPSRNTKA-QFIPXVFZSA-N 433.596 3.631 0 40 IHAB Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)cc1 30858716 CRMLAOBMPOYSQJ-NFBKMPQASA-N 428.598 3.847 0 40 IHAB Nc1c(C(=O)NCc2ccccc2)nsc1C(=O)NCc1ccccc1C(F)(F)F 33171857 HSQFQLSNQGNPOY-UHFFFAOYSA-N 434.443 3.604 0 40 IHAB Cn1c2ccccc2c2cc(/C=C(/NC(=O)c3ccccc3)C(=O)N3CCOCC3)ccc21 34107155 WOODERVCXQCPRD-PTGBLXJZSA-N 439.515 3.961 0 40 IHAB COc1cc(C)ccc1OCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1C 35060487 DPDRYIZQSMKBHD-MRXNPFEDSA-N 426.542 3.681 0 40 IHAB COc1cccc(-n2c(SCC(=O)Nc3nc(C)cs3)nnc2-c2ccncc2)c1 35291688 SGPGJTJXQUCBBM-UHFFFAOYSA-N 438.538 3.834 0 40 IHAB COc1cc(OC)c(NC(=O)NCCNc2nc(C)cc(N3CCCCC3)n2)cc1Cl 36708133 LMLOQQKDNNALIT-UHFFFAOYSA-N 448.955 3.680 0 40 IHAB Cc1cc(NC(=O)/C=C/c2ccc(SC(F)(F)F)cc2)n([C@H]2CCS(=O)(=O)C2)n1 40062756 ZCXFMUMHGVAHFW-GBXSZLQWSA-N 445.488 3.815 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3C(N)=O)cc2Cl)cc1 44847148 YNJZTIKWJWQYHP-UHFFFAOYSA-N 443.912 3.800 0 40 IHAB COc1ccc(CCOC(=O)[C@H](CCSC)NC(=O)c2ccc3ccccc3n2)cc1 62580823 KSBCVIGLVYOISS-QFIPXVFZSA-N 438.549 3.881 0 40 IHAB O=C(Nc1ccccc1)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2cc(Cl)ccc2O1 64985653 ZQUFPWVNNGDUSP-FQEVSTJZSA-N 428.897 3.935 0 40 IHAB Cn1c(SCC(=O)NCc2ccccc2Cl)nnc1-c1ccc2c(c1)OCCCO2 64986865 FLNKOOVHXQIFID-UHFFFAOYSA-N 444.944 3.705 0 40 IHAB COCCCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3ccc(C)cc3)c2c1=O 65113515 XASKDGBJUMGWSN-UHFFFAOYSA-N 430.508 3.849 0 40 IHAB CCOC(=O)c1cc2cc(NC(=O)NC[C@H]([C@@H]3CCOC3)N3CCCC3)ccc2s1 69951176 WRWOQKVVLPKIGZ-CRAIPNDOSA-N 431.558 3.700 0 40 IHAB C[C@H](OC(=O)Cc1csc(N2CCCC2=O)n1)[C@@H]1CCCCN1C(=O)OC(C)(C)C 72310722 XYCDZPRKWDKFGV-HOCLYGCPSA-N 437.562 3.534 0 40 IHAB CCCCc1cc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)on1 72311494 FKDZMUKMWSOOPL-UHFFFAOYSA-N 449.554 3.921 0 40 IHAB COc1ccc(CCNC(=O)[C@H]2C[C@H]3CC[C@]2(C)C[C@]32NC(=O)c3ccccc3N2)cc1 72326949 JFVRXAQSODJUJU-ZMSGYCMXSA-N 433.552 3.732 0 40 IHAB CCO[C@H](C)c1noc(CN2CCCN(Cc3ncc(-c4ccc(F)cc4)o3)CC2)n1 78947705 UYEFGCKKYDMWAE-MRXNPFEDSA-N 429.496 3.669 0 40 IHAB O=C(CN1CCN(c2ccc(O)cc2)CC1)N1CCc2sccc2[C@H]1c1cccs1 95946809 XCFNSGUHRVTROQ-QHCPKHFHSA-N 439.606 3.812 0 40 IHAB COc1cccc(CCC(=O)NCc2ncccc2NC(=O)CCc2cccc(OC)c2)c1 96010830 PLRRIANEBLBCKN-UHFFFAOYSA-N 447.535 3.919 0 40 IHAB COc1cccc(-c2ccc3ccc(-n4ccc(C(=O)N5CC[C@H](N(C)C)C5)n4)n3c2)c1 96155466 OQFXKYVXHXKMQX-NRFANRHFSA-N 429.524 3.577 0 40 IHAB CCC(=O)N1CCc2nc3cc([C@@H]4CCCCN4Cc4ccc(C)s4)nn3c(O)c2C1 100233989 SACAUOFHWRMGNJ-FQEVSTJZSA-N 439.585 3.827 0 40 IHAB Cc1c(Cl)cccc1N(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O)C(=O)C(F)(F)F 100395332 UOFDCAXNIFHUFR-SUOQZLSLSA-N 438.833 3.554 0 40 IHAB CN(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)CC[C@@H]3CCCO3)CC2)n1 100739139 KINMGXVAHJANLF-TYPHKJRUSA-N 437.588 3.954 0 40 IHAB CCOC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(NC(C)=O)cc1 113871493 IYTPOAMBOMFUHT-UHFFFAOYSA-N 445.324 3.710 0 40 IHAB C[C@@H](c1ccccc1)N1C[C@H](C(=O)OCC(=O)Nc2cccc(C(F)(F)F)c2)CC1=O 139010600 LTXOXKLJQDEEFS-GOEBONIOSA-N 434.414 3.797 0 40 IHAB CCOc1ccccc1CNC(=O)[C@H](CC)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O 220740862 NRFSJQDLHUSMHH-IBGZPJMESA-N 438.977 3.908 0 40 IHAB COc1cc(C)c([C@@H](C)NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)cc1C(C)C 223354092 YNKSFPUFNVDDQU-MRXNPFEDSA-N 444.553 3.539 0 40 IHAB Cc1ccccc1[C@@H](C)NS(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1 223673105 ACNSCMQCUXMEEN-GFCCVEGCSA-N 436.946 3.792 0 40 IHAB Cc1cccc(N(CCCC(=O)Nc2nnc(SC(C)C)s2)S(C)(=O)=O)c1C 224543821 UQTOJRVEHYAANS-UHFFFAOYSA-N 442.632 3.840 0 40 IHAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 225077224 QTTREORQFMWZBR-UHFFFAOYSA-N 434.517 3.731 0 40 IHAB CC1(C)C[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c2ccccc2O1 225471579 SNSWUBXGYOIVRN-HXUWFJFHSA-N 428.554 3.506 0 40 IHAB Cc1ccc2c(c1)[C@@H](NC(=S)Nc1cccc(N(C)S(C)(=O)=O)c1)CC(C)(C)O2 225674327 QHWTXJSGEDZILU-SFHVURJKSA-N 433.599 3.980 0 40 IHAB Cc1nc(-c2ccc(S(=O)(=O)NC[C@@](O)(c3ccsc3)c3ccco3)cc2)co1 240067754 SAOBXMGXGPIXCC-HXUWFJFHSA-N 430.507 3.519 0 40 IHAB S=C(NCc1ccc(CNC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)cc1)N[C@H]1C[C@H]2CC[C@H]1C2 254757125 ZKKNNLRBCRXHKQ-WLNPFYQQSA-N 442.698 3.992 0 40 IHAB COc1cccc2ccc(CN3CCO[C@@H](c4ccc(Nc5ncccn5)cn4)C3)nc12 257200661 AEIDBFJFVVVOII-JOCHJYFZSA-N 428.496 3.746 0 40 IHAB Cc1nc(Nc2cccc(C3CCN(CC(=O)NCc4ccccn4)CC3)n2)sc1C 257208794 BNPNMTPLKJHZDR-UHFFFAOYSA-N 436.585 3.789 0 40 IHAB Cc1cc(F)ccc1S(=O)(=O)N1CCC(c2cncc(Nc3ncccc3C)n2)CC1 257314323 UWKKTEZLMLHEDF-UHFFFAOYSA-N 441.532 3.939 0 40 IHAB Cn1cc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)Cc3ccc4c(c3)OCO4)CC2)n1 257321198 WAORNVFDFZSVDF-IRJFHVNHSA-N 432.524 3.844 0 40 IHAB CCOc1ccc(N([C@H](C)C(=O)N[C@H](CC)c2ccc(OC)c(C)c2)S(C)(=O)=O)cc1 260790540 GPSFYSKEVZCMCG-DYESRHJHSA-N 448.585 3.824 0 40 IHAB COc1cccc(NS(=O)(=O)c2ccc(O[C@H](C)C(=O)NC3CCCCC3)cc2)c1 408604805 FWYHUCJRLAPJCH-MRXNPFEDSA-N 432.542 3.712 0 40 IHAB CCc1ccccc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C)C=CC[C@H]3C2=O)cc1 408662121 MWSHROCVOYHJKN-LQNXUBFPSA-N 446.503 3.746 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCCSc1ccccc1)c1ccc(Cl)cc1 408695928 VEOKXBSJADXEFQ-UHFFFAOYSA-N 426.991 3.795 0 40 IHAB CS(=O)(=O)N(CCCC(=O)Nc1cccc(Br)c1)c1ccc(F)cc1 408703364 QCZDRPWBFRRXJF-UHFFFAOYSA-N 429.311 3.773 0 40 IHAB CC[C@H](C)Oc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1OC 409098571 PHHFNYLRHOVSPN-QUYZQLMHSA-N 437.496 3.712 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1C 409120527 WRWKGHCNSGVJJW-UHFFFAOYSA-N 446.550 3.914 0 40 IHAB Cc1ccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2C)cc1 409138765 HTPUCCCXLBWSAQ-QGZVFWFLSA-N 437.569 3.962 0 40 IHAB O=C(C[C@H](c1ccsc1)n1cccc1)N1CCN(CCOc2ccc(F)cc2)CC1 524735607 NCNANDITVUAECD-JOCHJYFZSA-N 427.545 3.891 0 40 IHAB CCOc1ccc(CN2c3ccccc3N(Cc3ccc(OCC)cn3)S2(=O)=O)nc1 674370548 LPGVWWDCEQMNJZ-UHFFFAOYSA-N 440.525 3.546 0 40 IHAB COc1ccc([C@H](CC(=O)N[C@@H](C)c2nc3ccccc3[nH]2)c2oc(C)cc(=O)c2O)cc1 1547139584 UMCISKIVYWCIEU-YJBOKZPZSA-N 447.491 3.938 0 40 IHAB biogenic Cc1cc2n(n1)C1(CCN(C(=O)Nc3cc(F)cc(F)c3)CC1)CC(=O)N2CC1CC1 1772596440 IAKFJIDNDZSEJZ-UHFFFAOYSA-N 429.471 3.640 0 40 IHAB COc1cccc([C@H]2CN(Cc3ccccc3)[C@@H]3CCN(C(=O)[C@@H](C)N4CCCC4)C[C@H]23)c1 1848351918 FXEHVJZQQDAZLM-HHPVDLARSA-N 447.623 3.996 0 40 IHAB CCn1nc(C)c(S(=O)(=O)N2CCC(c3ccc4cc(C5CC5)cnc4n3)CC2)c1C 1888929985 ITLMOPINJJUNBA-UHFFFAOYSA-N 439.585 3.909 0 40 IHAB CCCc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1 958052 VGOPWUYHCYHGPN-UHFFFAOYSA-N 425.510 3.852 0 40 IHAB CCOc1ccccc1/C=c1\sc2nc(-c3ccccc3Br)nn2c1=O 2369408 MURLOQKHWZTJAZ-WJDWOHSUSA-N 428.311 3.527 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)Oc2ccccc2C(=O)OCC(=O)N2CCCC[C@H]2C)c1 3311933 VQRXZGSODLPZEP-GOSISDBHSA-N 445.537 3.629 0 40 IHAB COC[C@H](C)NC(=O)CN(c1cccc2ccccc12)S(=O)(=O)c1ccc(C)c(C)c1 3403865 GDYVYYOIAPRZHD-IBGZPJMESA-N 440.565 3.803 0 40 IHAB CC(C)Cn1c(=O)c2sccc2n2c(CCCC(=O)NC3CCCCCC3)nnc12 6868488 AZSGQHOZVYXKFM-UHFFFAOYSA-N 429.590 3.923 0 40 IHAB Cc1nc2cc(C(=O)OCC(=O)c3ccc4c(c3)NC(=O)CO4)ccc2n1-c1ccccc1 8824146 QMSRYPHZVVNNHU-UHFFFAOYSA-N 441.443 3.705 0 40 IHAB COc1ccc(NC(=O)c2sc(NS(=O)(=O)c3ccccc3)nc2C)cc1OC 8977933 VBUUPROMVFYPAW-UHFFFAOYSA-N 433.511 3.522 0 40 IHAB CCc1ccc(-c2csc(NC(=O)CN3C(=O)N[C@@]4(CCCC[C@@H]4C)C3=O)n2)cc1 9056577 IUZOLDYVCFPWKG-RCDICMHDSA-N 426.542 3.812 0 40 IHAB CC(C)c1ccccc1NC(=O)CSc1nnc(-c2cc(-c3ccccc3)n[nH]2)n1N 9187098 NZIBFMSZEYDFAQ-UHFFFAOYSA-N 433.541 3.903 0 40 IHAB COc1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1F 9224014 ZYNLDJFFQGWLDC-UHFFFAOYSA-N 434.533 3.671 0 40 IHAB COc1cc2[nH]c(=O)c(C(=O)Nc3ccc(C)cc3Br)c(O)c2cc1OC 9348456 KKNFPYSKYDZUSD-UHFFFAOYSA-N 433.258 3.574 0 40 IHAB CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1nnc(NC(=O)c2cccc(OC)c2)s1 9405053 QTYBLNBRGDRCPG-UHFFFAOYSA-N 446.554 3.631 0 40 IHAB Cc1cc(NC(=O)COC(=O)CCCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)no1 9525774 DTJNKTAFSWSCEK-UHFFFAOYSA-N 447.797 3.946 0 40 IHAB C[C@H](Sc1nnc(-c2ccccc2Br)n1N)C(=O)N(C)c1ccccc1 9790897 UQIWIFUSFQSEJT-LBPRGKRZSA-N 432.347 3.565 0 40 IHAB Cc1ccccc1Nc1nc(N)nc(CSc2nnc([C@H]3COc4ccccc4O3)o2)n1 9950863 YJRYGNACZHHWCL-MRXNPFEDSA-N 449.496 3.694 0 40 IHAB CCCCC[C@H](C)NC(=O)CSc1ccc(S(=O)(=O)N2CCCCCC2)cn1 10399845 IYXHTMXVBLYQJJ-KRWDZBQOSA-N 427.636 3.823 0 40 IHAB Cc1cc(NC(=O)COc2ccc(C3=CCN(C(N)=O)CC3)cc2)ccc1Br 11092349 VALCTRKDSVUWGG-UHFFFAOYSA-N 444.329 3.943 0 40 IHAB COc1ccc(CC(=O)N2CCC(c3nc4cc(OC)c(OC)cc4cc3N)CC2)cc1 12087941 WHTJIRULESCMAM-UHFFFAOYSA-N 435.524 3.792 0 40 IHAB CC(C)n1c(=O)oc2cc(S(=O)(=O)N[C@H](Cc3ccsc3)c3ccccn3)ccc21 12229351 GWJIFBGMDPHRGE-GOSISDBHSA-N 443.550 3.894 0 40 IHAB COc1ccc(NC(C)=O)cc1NC(=O)CCCn1nc(-c2ccc(C)cc2)ccc1=O 12441159 LYGNMIVVRDQURY-UHFFFAOYSA-N 434.496 3.605 0 40 IHAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3ccc(Cl)cc3)c12 12766657 NSTRPTSTUQQZOQ-MRXNPFEDSA-N 444.944 3.882 0 40 IHAB CCCNC(=O)[C@H](C)NC(=O)/C=C/c1c(C)nn(Cc2c(Cl)cccc2Cl)c1C 12879242 MEQXBOMWYKHYLG-HBWSCVEGSA-N 437.371 3.899 0 40 IHAB CCOC(=O)c1ccc(N2CCN(Cc3csc(-c4ccc(OC)cc4)n3)CC2)nc1 13013775 OJXPEPKSMQQZCQ-UHFFFAOYSA-N 438.553 3.713 0 40 IHAB O=C(/C=C/C1=Cc2cc(Cl)ccc2OC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 13120859 KHLJPVFVGZYEDY-QHHAFSJGSA-N 438.911 3.745 0 40 IHAB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(Sc3ncnc4sccc34)o2)c1 13128616 OFYGBPYIJOAAET-UHFFFAOYSA-N 447.567 3.923 0 40 IHAB COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)Nc2cc(C(=O)O)ccc2OC)cc1 13576023 WFSTWIMVDCSIRC-STZFKDTASA-N 446.459 3.812 0 40 IHAB CCS(=O)(=O)N1C[C@H](C(=O)NC(c2ccccc2)c2ccccc2)Oc2ccccc21 13682478 CMKCAMPEMNTOLM-JOCHJYFZSA-N 436.533 3.510 0 40 IHAB O=C(OCc1nc2ccccc2n1C(F)F)c1ccc(S(=O)(=O)N2CCCCC2)cc1 14121170 GMGMSOYVFINKDZ-UHFFFAOYSA-N 449.479 3.963 0 40 IHAB N=c1c2ccccc2nc2n1N(c1ccccc1)C(=O)[C@@H](CC(=O)Nc1ccccc1)S2 14165323 HZTSHTGRWFXKLM-HXUWFJFHSA-N 441.516 3.815 0 40 IHAB COc1ccc(CC(=O)N(Cc2ccccc2)Cc2nc3ccccc3c(=O)[nH]2)cc1F 14801641 XGIZPJUQGXCDDW-UHFFFAOYSA-N 431.467 3.842 0 40 IHAB O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1ccc(CN2C(=O)CCC2=O)cc1 15640827 KIROABLZGUKKBP-UHFFFAOYSA-N 442.397 3.792 0 40 IHAB CCCCn1c(SCc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)n[nH]c1=O 16118996 AXLOHFJGDWTNLH-UHFFFAOYSA-N 425.489 3.502 0 40 IHAB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)NCCC1=CCCCC1 16479115 LYTYWNLLGULSCN-UHFFFAOYSA-N 426.582 3.927 0 40 IHAB CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)CSc1ccc2ccccc2n1 16743563 RWFVFHMEEGVGOD-UHFFFAOYSA-N 441.578 3.557 0 40 IHAB Cc1cc(O)c(CC(Cc2c(O)cc(C)oc2=O)c2ccc(Br)cc2)c(=O)o1 16756416 HFVTZSYSQDPIER-UHFFFAOYSA-N 447.281 3.953 0 40 IHAB Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(F)cc3)nc2O)c(C)c1 16840144 SKNFHQIKPHEVHV-UHFFFAOYSA-N 447.513 3.502 0 40 IHAB C[C@H](NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1)c1ccc2c(c1)OCCO2 18891587 BBTHAYYRWFUCBV-HNNXBMFYSA-N 427.478 3.516 0 40 IHAB COc1cccc(O[C@@H](C)C(=O)N2CCC[C@@H]([C@@H]3C[C@H](C(F)F)n4nc(C)cc4N3)C2)c1 19127337 RKEOIDRAERWONJ-ACZWYYKOSA-N 448.514 3.897 0 40 IHAB COc1cccc(O[C@@H](C)C(=O)N2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4nc(C)cc4N3)C2)c1 19127345 RKEOIDRAERWONJ-CPLUKWAASA-N 448.514 3.897 0 40 IHAB Cc1ccc(C)c(N2C[C@H](C(=O)N3CCC[C@@H](c4nc(-c5cccnc5)no4)C3)CC2=O)c1 19133719 DSWVJRHQADPWGR-WOJBJXKFSA-N 445.523 3.508 0 40 IHAB O=C(c1cccc(C(F)(F)F)c1)N1CCC(c2nc(-c3nccs3)cc(=O)[nH]2)CC1 19293298 PCRXTFHTWNFRJG-UHFFFAOYSA-N 434.443 3.932 0 40 IHAB CCc1cc(C(F)(F)F)c2c([C@H]3CCCN(C(=O)c4cnc(N(C)C)nc4)C3)noc2n1 19522006 SAUOMPORASBTPK-LBPRGKRZSA-N 448.449 3.680 0 40 IHAB CCN1CCN(C(=O)c2c[nH]nc2C)C[C@H](Cc2ccccc2-c2ccc(C)cc2)C1=O 19527611 YMROZSYSSLLOHE-QFIPXVFZSA-N 430.552 3.857 0 40 IHAB CN(C)c1ccc(NC(=O)CN2CCC[C@H](n3c(=O)oc4ccc(Cl)cc43)C2)cc1 19584995 XZDDCODXPIWOBX-SFHVURJKSA-N 428.920 3.590 0 40 IHAB COc1cc(CN(C(=O)COc2ccc(C)cc2)C2CCCCC2)ccc1OCC(N)=O 19631970 ZINVEMFRFBMHQB-UHFFFAOYSA-N 440.540 3.608 0 40 IHAB Cc1nc([C@H]2CCCN(C(=O)c3cnn(C)c3)C2)nc2c1CCCN2Cc1ccc(F)cc1 19707033 ZHRWESCJKCMKSW-IBGZPJMESA-N 448.546 3.630 0 40 IHAB O=C(CN1CCC2(CC=CCN(Cc3ccc(F)cc3)C2=O)CC1)Nc1ccc(F)cc1 19744735 LDEAUEWLYRGOIA-UHFFFAOYSA-N 439.506 3.974 0 40 IHAB Cc1nc([C@H]2CCCN2C(=O)COc2ccccc2F)ncc1C(=O)NCc1ccccc1 19755230 VVZXQNVNZXYQOC-OAQYLSRUSA-N 448.498 3.597 0 40 IHAB COc1cccc(CNC(=O)c2cnc([C@@H]3CCCCN3C(=O)C3CCCC3)nc2C)c1 19764642 FEQKCMJHMNQWLF-QFIPXVFZSA-N 436.556 3.967 0 40 IHAB COc1ccccc1CNC(=O)c1cnc(C2CCN(C(=O)C3CCCC3)CC2)nc1C 19766636 RVUZWTNPYQIDDB-UHFFFAOYSA-N 436.556 3.620 0 40 IHAB COc1cc(C(=O)NC[C@H](c2cccn2C)N2CCc3ccccc3C2)cc(OC)c1OC 21151433 BTBMOCZIVQFSQM-JOCHJYFZSA-N 449.551 3.580 0 40 IHAB CCn1c(SCc2c(F)c(F)c(F)c(F)c2F)nc2cc(S(N)(=O)=O)ccc21 22311451 WXTRTRBFSCWLAH-UHFFFAOYSA-N 437.415 3.691 0 40 IHAB Cc1ccc(Cl)cc1N(CC(=O)N[C@H]1CC(C)(C)Oc2ccccc21)S(C)(=O)=O 22336915 RVGMMQCIYBMYMB-KRWDZBQOSA-N 436.961 3.833 0 40 IHAB Cc1ccc(-c2nnc([C@@H](C)N3CCN(CC(=O)Nc4c(C)cccc4C)CC3)o2)cc1 22935533 KXXBLACWZDNWFP-HXUWFJFHSA-N 433.556 3.979 0 40 IHAB Cc1ccc(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)cc1NC(=O)c1ccco1 23883037 GVPWBEYFCQEDNG-QFIPXVFZSA-N 433.508 3.644 0 40 IHAB O=C(CN1CCC(O)CC1)Nc1cc(-c2ccc3c(c2)CCCC3)nn1-c1ccccc1 24227328 YDMOLGHHYMTAAX-UHFFFAOYSA-N 430.552 3.813 0 40 IHAB O=C(NCCSC1CCCCC1)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 24609768 CYTAGTSLSXDQPT-UHFFFAOYSA-N 442.622 3.550 0 40 IHAB COc1ccc(OC)c(CNC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)c1 25830765 VXMVSKWLBNTBLW-UHFFFAOYSA-N 440.521 3.743 0 40 IHAB C[C@]12CCC(=O)N1[C@H](C(=O)NCc1cn(-c3ccccc3)nc1-c1ccccc1)CS2 26069447 CWVHQSWFGOWVMF-RDPSFJRHSA-N 432.549 3.610 0 40 IHAB COc1ccc(Br)cc1CN(C)C(=O)NCCc1ccc(OC)c(OC)c1 26519313 XCJHCVALLMXSMG-UHFFFAOYSA-N 437.334 3.859 0 40 IHAB COc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)c(OC)c1 28943353 JGUWHQOFRONWAK-UHFFFAOYSA-N 444.484 3.677 0 40 IHAB O=S(=O)(c1ccccc1C(F)(F)F)N1CCN(c2nc3ccccc3s2)CC1 30617773 LQXWSDQAAJSLAK-UHFFFAOYSA-N 427.473 3.826 0 40 IHAB COc1cc(C(=O)Nc2cccc(Cl)c2-n2cncn2)cc(OC)c1Br 31922561 RBDYNACJOWRECF-UHFFFAOYSA-N 437.681 3.953 0 40 IHAB COc1ccc(C(=O)NC(=S)Nc2cc(-c3nn4c(C)nnc4s3)ccc2C)cc1 32126632 YXVVCKCASUXSNA-UHFFFAOYSA-N 438.538 3.605 0 40 IHAB COc1ccccc1Nc1nc(N)nc(CSCc2nc(-c3ccsc3)no2)n1 32772145 ZLHKBEXFCWXMIJ-UHFFFAOYSA-N 427.515 3.751 0 40 IHAB O=C(C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)NCc1ccc2c(c1)OCCO2 32856011 VBSNNLRWVXKBRW-KRWDZBQOSA-N 438.427 3.596 0 40 IHAB CC[C@](C)(C(=O)Nc1cc(OC)cc(OC)c1)N(C[C@@H]1CCCN2CCCC[C@@H]12)C(C)=O 33435685 POZFQCFCTQXDEA-BFMBIBTESA-N 445.604 3.924 0 40 IHAB CCN(CC(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc(Br)cc1 34828226 QPAKTSGKRAROJT-UHFFFAOYSA-N 425.348 3.715 0 40 IHAB COc1ccc(-c2cc(C(=O)N(C)Cc3c(C)nn(C)c3C)c3c(C)nn(C)c3n2)cc1 36613527 TXAFSQBNJGDADA-UHFFFAOYSA-N 432.528 3.575 0 40 IHAB O=C(N[C@H]1CCCc2ccccc21)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 37407991 RQJJAKMMXJZCKL-UWJYYQICSA-N 432.973 3.935 0 40 IHAB COC(=O)c1ccc(NC(=O)Cn2cnc3c(-c4ccc(OC)cc4)csc3c2=O)cc1 38487118 TXLRJPDMNPWAFT-UHFFFAOYSA-N 449.488 3.559 0 40 IHAB CC(C)(C)C(=O)N1CCC(C(=O)Nc2ccnn2Cc2ccccc2Br)CC1 40046923 DQNWQXMPPCFQNJ-UHFFFAOYSA-N 447.377 3.917 0 40 IHAB COc1ccc([C@@H]2[C@@H](C(=O)OCc3ccccc3)C(=O)N=C3Nc4ccccc4N32)cc1 54175973 KDZDYQANPKXOJI-FGZHOGPDSA-N 427.460 3.924 0 40 IHAB CC(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1ccnc(OCC(F)(F)F)c1 58194018 CFYNNNIOXCAVSD-LJQANCHMSA-N 449.473 3.639 0 40 IHAB CN(C)c1nc2cc(C(=O)NC[C@H]3CCCO3)sc2n1-c1ccc(Br)cc1 58393322 DWGAXWFBGNNQDX-CQSZACIVSA-N 449.374 3.824 0 40 IHAB CCCOc1ccc(CNC(=O)c2cn(-c3cc(-c4nc(CC)no4)ccn3)cn2)cc1 71768519 CHHNZZIJLKHIPX-UHFFFAOYSA-N 432.484 3.599 0 40 IHAB COc1ccc2c(c1)CCN(C(=O)[C@H]1C[C@@H]3CC[C@@]1(C)C[C@]31NC(=O)c3ccccc3N1)C2 72326982 PWOBWHXWAHNHDG-ZJLZBZMTSA-N 445.563 3.958 0 40 IHAB COc1cc2c(cc1OC)[C@@H]1c3ccccc3N(CC(=O)N3CCC(C)CC3)C(=O)N1CC2 72342046 KNWOICDQWKWAAZ-VWLOTQADSA-N 449.551 3.850 0 40 IHAB COc1ccc(-c2cnc(N)nc2[C@H]2CCCN(CC(=O)Nc3ccc(F)cc3)C2)cc1 72345939 COMXMNDNCAEFTG-KRWDZBQOSA-N 435.503 3.692 0 40 IHAB CNC(=O)c1ccc(-c2cc(C)nc([C@H]3CCCN(C(=O)COc4ccccc4)C3)c2)cn1 72353614 QREJUCDAARAQJT-FQEVSTJZSA-N 444.535 3.597 0 40 IHAB CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1CC(=O)Nc1ccc(OC)c(OC)c1 95432475 RNMXDBLEJUHJQU-XMSQKQJNSA-N 440.588 3.578 0 40 IHAB O=C(C[C@H]1CC2(CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c2ccccc21)NCC1CC1 96241992 RTTUVENFZWDRKG-FQEVSTJZSA-N 446.547 3.993 0 40 IHAB CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)sc2ccccc21 100821233 OSSZXFGTUBPBKC-GBWQBGJGSA-N 443.594 3.884 0 40 IHAB CCOc1ccc(NC(=O)c2cnn3c2NC(C(=O)O)=C[C@@H]3c2ccccc2OC)cc1 102810764 SYEBVDGCSYVYCO-LJQANCHMSA-N 434.452 3.526 0 40 IHAB CCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C)c(C)c2)cc1 138566777 RYGKCSMTHGOJKF-UHFFFAOYSA-N 440.496 3.771 0 40 IHAB COc1ccc(Cl)cc1N1C[C@H](C(=O)OCC(=O)Nc2ccc(C)c(C)c2)CC1=O 138847490 YONAQSUIWROTNX-OAHLLOKOSA-N 430.888 3.500 0 40 IHAB CCOC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)c(C)c1 220002033 RAASNXORMIWRDH-UHFFFAOYSA-N 444.553 3.845 0 40 IHAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc(OC)cc1 222634943 SXKMQTINNYOZJU-ZDUSSCGKSA-N 425.312 3.544 0 40 IHAB O=C(NCc1ccc2ccccc2c1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 222823105 JQHMEBSWFWZREY-FQEVSTJZSA-N 426.513 3.696 0 40 IHAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1CCCN1CCOCC1 222824075 RRTAQKZWMMGAQP-GOTSBHOMSA-N 441.645 3.603 0 40 IHAB COc1ccc(CNC(=O)c2cn3c4c(cc(Br)cc4c2=O)C[C@H]3C)cc1 223103511 OXLZBGNFEADSAA-GFCCVEGCSA-N 427.298 3.820 0 40 IHAB CCC1(CC)C[C@@H](NC(=O)CN(c2ccccc2F)S(C)(=O)=O)c2ccccc2O1 223193511 ZYBZALMJHMOOGO-GOSISDBHSA-N 434.533 3.791 0 40 IHAB CCc1ccc(CC)c(CNC(=O)CCCN(c2ccccc2OC)S(C)(=O)=O)c1 223556797 PVALYAAKZOJNCM-UHFFFAOYSA-N 432.586 3.683 0 40 IHAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(OC)cc1 223989755 KNCBTVZQGIHBPO-HSZRJFAPSA-N 442.556 3.806 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCCc1ccc(Cl)cc1)c1ccccc1Cl 224668109 HYRBSOZXUOMACI-UHFFFAOYSA-N 429.369 3.899 0 40 IHAB COC(=O)CN(c1cc(OC)c(Cl)cc1OC)S(=O)(=O)c1ccc2ccccc2c1 225067639 VPFBHORWVPQCFU-UHFFFAOYSA-N 449.912 3.879 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N3c4ccccc4C[C@H]3C)CC2)cc1Cl 226079739 BHUJWXUSAAFMIP-OAHLLOKOSA-N 448.972 3.727 0 40 IHAB C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)N3CCn4cccc4[C@H]3C)ccc2Cl)C1 245225020 KSCNGRCDSWJTJF-HZPDHXFCSA-N 435.977 3.779 0 40 IHAB COc1ccc([C@H]2CN(C(=O)c3cccnc3Oc3ccc(C)nc3)CCN2C(C)=O)cc1 257270476 MUIZZLRBYGAXEA-HSZRJFAPSA-N 446.507 3.632 0 40 IHAB O=C1CCCC[C@]2(CN(C(=O)c3cccc(Cn4ccnc4)c3)C[C@H]2c2ccc(F)cc2)N1 257277168 NWSSZDSJOSXCRE-JYFHCDHNSA-N 446.526 3.739 0 40 IHAB CNC(=O)c1cc([C@H]2CC[C@H](CNC(=O)CCc3c(C)n[nH]c3C)CC2)nc2ccccc12 257296401 RCQSPFKGNNQKJJ-WGSAOQKQSA-N 447.583 3.957 0 40 IHAB O=C(Cn1ncc2ccccc2c1=O)N1CCCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 257322918 WHZWIVDBNIHIOW-QFIPXVFZSA-N 446.482 3.868 0 40 IHAB Cc1nc2cc(C(=O)N3CCNC(=O)[C@H]3Cc3ccccc3-c3ccccc3)ccc2n1C 257344112 ZVUCCARPABHFCL-RUZDIDTESA-N 438.531 3.732 0 40 IHAB COc1ccc(F)cc1-c1ccc2nc([C@@H]3CCCN(C(=O)c4ocnc4C)C3)nn2c1 306133557 MPLRNJBUJWMRHH-MRXNPFEDSA-N 435.459 3.860 0 40 IHAB CC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 408550560 DJUMRZYQUYDMEF-CYBMUJFWSA-N 430.448 3.800 0 40 IHAB C[C@@H](Oc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1)C(=O)NC1CCCCC1 408588314 FOQWYLKMURYKFE-GOSISDBHSA-N 430.570 3.724 0 40 IHAB COC[C@H](C)NC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 408625271 RRTCSYDLNVPGRO-IBGZPJMESA-N 438.549 3.847 0 40 IHAB CCn1c(Cc2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1ccc(C)cc1 408639764 YYIBIRSFVQOLPE-UHFFFAOYSA-N 426.542 3.945 0 40 IHAB COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)cc2)N2C(=O)CCCC2=O)cc1 408643141 FPQROUVNKUKGAA-AWEZNQCLSA-N 428.872 3.516 0 40 IHAB CCc1cccc(CC)c1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(C(C)=O)cc2)CC1=O 408657957 KHDKXVORNHYIJP-FQEVSTJZSA-N 436.508 3.549 0 40 IHAB CCOc1ccccc1NC(=O)COC(=O)CCCC(=O)Nc1ccc(C(C)=O)cc1 408662174 NDJXRROGWXGBGG-UHFFFAOYSA-N 426.469 3.579 0 40 IHAB COc1ccc(CNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 409027124 AELIYKNCRSNSDG-UHFFFAOYSA-N 444.940 3.860 0 40 IHAB C[C@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2ccc(F)c(Cl)c2)n1C 409348322 SLNGDCYHHGSRQU-LBPRGKRZSA-N 447.923 3.829 0 40 IHAB C[C@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2ccccc2Cl)n1C 409348500 SYMOCAVGCGCTEU-ZDUSSCGKSA-N 429.933 3.690 0 40 IHAB COc1cc(C)c(S(=O)(=O)N2CC[C@](CO)(Cc3ccc(F)cc3)C2)cc1C(C)C 576022775 VAXPBTCREKHKGC-QHCPKHFHSA-N 435.561 3.882 0 40 IHAB COc1cnc(OC2CCN(c3ncc(Br)cc3C(F)(F)F)CC2)nc1 1889130384 FXRUGOLZYNPTFC-UHFFFAOYSA-N 433.228 3.709 0 40 IHAB Cc1cc(C)c(NC(=O)CNC(=O)CN(C)Cc2ccc(Br)cc2)c(C)c1 15517054 CMTIMMMVYQHPAD-UHFFFAOYSA-N 432.362 3.561 0 40 IHAB CC(C)(C)c1cc(NC(=O)CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)on1 29191898 ZVIMCZRJDWEJRP-UHFFFAOYSA-N 425.455 3.537 0 40 IHAB C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(NC(=O)c2ccc(F)cc2F)s1 1381598 HZXZQOWKOKLAIM-GHMZBOCLSA-N 426.514 3.950 0 40 IHAB CCOc1ccc(NC(=S)N(CCCO)Cc2cc3cccc(C)c3[nH]c2=O)cc1 4127171 VWJTVKZGCMSXDK-UHFFFAOYSA-N 425.554 3.817 0 40 IHAB COc1ccc(NC(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3c2cc(-c3ccco3)nn2C)cc1 8635851 VHURDPOJLIYMTI-HQRMLTQVSA-N 435.528 3.688 0 40 IHAB biogenic,in-vitro C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccccc1)C(=O)NC(N)=O 8719639 YMJOEOAMMMVWLP-OAHLLOKOSA-N 437.569 3.966 0 40 IHAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)N1CCC[C@@H](c2nnc3ccccn23)C1 32904398 DUUDDRFIXXIEFT-OAHLLOKOSA-N 435.509 3.964 0 40 IHAB CCOc1ccccc1C(=O)Nc1nc(-c2ccc(N(C)S(C)(=O)=O)cc2)cs1 21769843 WMCDKEAXEXBINU-UHFFFAOYSA-N 431.539 3.857 0 40 IHAB O=C(COC(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 9141176 RTUYVXZGDBSPCZ-XHSDSOJGSA-N 440.462 3.850 0 40 IHAB N=C(Nc1ccc2c(c1)OCCO2)Nc1nc(CSc2ccc(Cl)cc2)cc(=O)[nH]1 9938492 YHPWPBVVXNGVFH-UHFFFAOYSA-N 443.916 3.946 0 40 IHAB C[C@@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1 665476 SGLQQKNREYNOFS-MRXNPFEDSA-N 438.505 3.750 0 40 IHAB COc1cc(NC(=O)C23C[C@H]4C[C@H](C2)CC(n2nnc(C)n2)(C4)C3)c(OC)cc1Cl 101272963 VWKXYJYAUBETEV-RKOMNEFPSA-N 431.924 3.586 0 40 IHAB Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NC(=O)[C@@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)O 100619550 LIZVVNFAFNWMLU-NXOAAHMSSA-N 438.311 3.672 0 40 IHAB CCOc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)N(CC)CC)cc3)sc2c1 944851 ZITCECHSCGFVLR-UHFFFAOYSA-N 433.555 3.978 0 40 IHAB C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)/N=c2/sc3ccccc3n2C)c1 104992316 JBFSBDFGSPNFFP-UCMDFWOYSA-N 429.567 3.544 0 40 IHAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N3CCN(Cc4ccncc4)CC3)cc12 23982669 SERUMANWSPSKCF-UHFFFAOYSA-N 449.555 3.947 0 40 IHAB CCCC(=O)OCC(=O)Nc1sc(C(=O)Nc2ccccc2)c(C)c1C(=O)OCC 12541268 XMZWFIXCSLZJOY-UHFFFAOYSA-N 432.498 3.767 0 40 IHAB NC(=O)c1c(NC(=O)COC(=O)Cc2c(Cl)cccc2Cl)sc2c1CCCC2 3294045 MVQUKBUHLYZNTQ-UHFFFAOYSA-N 441.336 3.757 0 40 IHAB Cc1ccc(NC(=O)[C@@H](OC(=O)[C@H]2CCCN(C(N)=O)C2)c2ccccc2)cc1Cl 12689016 PLEZGBJXKWKUFL-LPHOPBHVSA-N 429.904 3.662 0 40 IHAB Cc1ccc(Cn2nc(C)c3cc(C(=O)OCC(=O)NCC(F)(F)F)sc32)cc1 3383930 SOFOVXJSJOPOMS-UHFFFAOYSA-N 425.432 3.598 0 40 IHAB CCOC(=O)c1[nH]c2ccc(Br)cc2c1CCN1C(=O)c2ccccc2C1=O 2090572 BTZPKNRVBCPAIW-UHFFFAOYSA-N 441.281 3.946 0 40 IHAB biogenic CCOc1ccc([C@H]2CCCN2C(=O)c2cc(Cl)c(OCC(N)=O)c(OC)c2)cc1 10101124 PWNKESRHWONSGW-GOSISDBHSA-N 432.904 3.589 0 40 IHAB Cc1ccc(O[C@@H](C)C(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1 12765201 KCHLODOKQPIHMZ-SFHVURJKSA-N 428.554 3.526 0 40 IHAB Cc1cc(OCC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)ccc1Cl 12789185 AEKLEIDLOKRARN-UHFFFAOYSA-N 436.961 3.518 0 40 IHAB CCCc1cc(=O)oc2cc(OCC(=O)Nc3cc(OC)c(OC)c(OC)c3)ccc12 12784751 BMMZHSYRANFKSN-UHFFFAOYSA-N 427.453 3.789 0 40 IHAB O=C(c1ccc2c(c1)OCCO2)C1CCN(S(=O)(=O)c2ccc(F)cc2Cl)CC1 12873615 RICOEODSLXBMGY-UHFFFAOYSA-N 439.892 3.534 0 40 IHAB COc1ccc(C(=O)Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)cc1Br 12938545 QKQKBZSERXXBQW-RYUDHWBXSA-N 440.363 3.776 0 40 IHAB C[C@@H]1CCCC[C@@H]1NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 12996327 XEHVPXSKWPUMHJ-ABAIWWIYSA-N 426.888 3.674 0 40 IHAB C[C@H](c1ccccc1)N1C[C@@H](C(=O)N2CCN(Cc3nc4ccccc4s3)CC2)CC1=O 14228393 FCWUPQCXVLLYGK-QUCCMNQESA-N 448.592 3.550 0 40 IHAB Cc1noc2nc(-c3cccs3)cc(C(=O)OCC(=O)NCCc3ccc(F)cc3)c12 14706480 KRFLUXGLGRJIBZ-UHFFFAOYSA-N 439.468 3.915 0 40 IHAB C[C@@H]1CCCCN1CCCCNC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O 70006487 TYJNLJNVJBONJI-HXUWFJFHSA-N 447.579 3.910 0 40 IHAB Cc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 9634273 HTRUMTROXTTWDC-UHFFFAOYSA-N 429.505 3.933 0 40 IHAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 8862347 ZGWPPENXRJIVPE-HNNXBMFYSA-N 444.516 3.889 0 40 IHAB S=C(NCCc1ccccc1)NC1CCC(NC(=S)NCCc2ccccc2)CC1 9137055 OHYIFLUJRDYHGZ-UHFFFAOYSA-N 440.682 3.711 0 40 IHAB COc1ccccc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1 19644874 WURXALXXTZRLIS-UHFFFAOYSA-N 446.550 3.914 0 40 IHAB CCOc1ccc(Cc2c(O)nc(SCc3c(OC)cccc3C(C)=O)[nH]c2=O)cc1 26505592 JGNAFLJLOIRHSH-UHFFFAOYSA-N 440.521 3.969 0 40 IHAB CCn1c(COc2ccc(OC)cc2)nnc1S[C@H](C)C(=O)Nc1nc(C)cs1 9302827 RITUSASXRJGZLL-CYBMUJFWSA-N 433.559 3.770 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)c1ccc2c(c1)OCO2 9355789 YLSBHJUAOPVPQM-UHFFFAOYSA-N 436.489 3.809 0 40 IHAB COC(=O)c1sc2nc(C)c3c(c2c1NC(=O)CN1CCCCC1)CC(C)(C)OC3 9410779 WGPVOUNXTYCUSQ-UHFFFAOYSA-N 431.558 3.667 0 40 IHAB Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3(C)C)C2)cc1 72298162 XVVZVZIGFPCDAJ-HXUWFJFHSA-N 443.588 3.705 0 40 IHAB Cc1cccc(C(=O)NCc2nnc(SCC(=O)NC(C)(C)C)n2-c2ccccc2)c1 9526181 SLVHERMRELKUKF-UHFFFAOYSA-N 437.569 3.513 0 40 IHAB CN(C[C@@H]1COc2ccccc2O1)C(=O)Nc1cc2c(cc1Br)OCCO2 95350285 ZPNVMSGTQVRBOI-GFCCVEGCSA-N 435.274 3.524 0 40 IHAB COc1ccc(OC)c(-c2csc3ncc(C(=O)Nc4ccc(F)cc4)c(=O)n23)c1 64788055 NBXDHADMXNWMHA-UHFFFAOYSA-N 425.441 3.832 0 40 IHAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NC[C@@H](C)c2ccccc2)cc1 408710214 SHXRQMRCIUZKHY-LJQANCHMSA-N 429.520 3.783 0 40 IHAB CCOc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C)cc2)cc1 409058184 IWPDYVMYIKRHKS-JLUQKLKGSA-O 442.539 3.718 0 40 IHAB C[C@@H](OC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)c1ccc2c(c1)CCC2 8884649 UEOJQADMRODAIN-QGZVFWFLSA-N 441.549 3.778 0 40 IHAB C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 36396550 KOOYBPSPEFYTKQ-WTNAPCKOSA-N 447.535 3.634 0 40 IHAB Cc1cc(C)c(C)c(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c1 39795652 HOWMPWHNWIDBKZ-UHFFFAOYSA-N 425.510 3.825 0 40 IHAB Cc1ccccc1-c1cc2c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nccn2n1 67285450 UIAGSYWZFARWCK-UHFFFAOYSA-N 427.508 3.756 0 40 IHAB COc1ccc(S(N)(=O)=O)cc1C(=O)N(C)Cc1ccc(-c2ccc(Cl)cc2)o1 32524347 UZMDOEMDMYHFJR-UHFFFAOYSA-N 434.901 3.528 0 40 IHAB COc1ccc([C@H](C)NC(=O)c2cc3cc(N(C)S(C)(=O)=O)ccc3s2)cc1OC 223074457 UNQFQVURVVZXSE-ZDUSSCGKSA-N 448.566 3.805 0 40 IHAB COc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)NCc3ccc(F)cc3)c2)cc1 224284740 HCUDEQMTSGKYJQ-UHFFFAOYSA-N 428.485 3.589 0 40 IHAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1OC 223945810 NNKPXRUBINXCKN-OAQYLSRUSA-N 442.556 3.806 0 40 IHAB CC(C)Oc1ccc(CCCNC(=S)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1 225568921 XWUSEIYEICEXPN-UHFFFAOYSA-N 435.615 3.789 0 40 IHAB CCc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(Nc3ccc(Cl)cc3)[nH]c(=O)c21 40399267 MHJURHMVZXVSBH-OAHLLOKOSA-N 437.887 3.794 0 40 IHAB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(C)c2C)cc1 225211942 VTJRKWUVVVKDMA-XZOQPEGZSA-N 449.580 3.799 0 40 IHAB O=C(CCOc1cccc(F)c1)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 40069844 QEAVRUBMLGQPGJ-UHFFFAOYSA-N 425.287 3.886 0 40 IHAB CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1cc(C)cc(C)c1 225487410 PNQOHNYVOGBFCG-MRXNPFEDSA-N 433.346 3.608 0 40 IHAB Cc1cc(OCC(=O)Nc2cc(N3CCN(c4ccccc4)CC3)ncn2)ccc1Cl 77200538 VIGIRPDKCNYMSQ-UHFFFAOYSA-N 437.931 3.783 0 40 IHAB Cc1ccc(N2CCN(Cc3ccccc3)C3(CCN(Cc4ccoc4)CC3)C2=O)cn1 96230397 KSXCFPZHOFZDJO-UHFFFAOYSA-N 430.552 3.867 0 40 IHAB CN(C(=O)c1c[nH]nc1[C@@H]1CCCN1C(=O)CCc1nc2ccccc2[nH]1)c1ccccc1 257312602 UOTFPRGSIOZRFC-NRFANRHFSA-N 442.523 3.859 0 40 IHAB CC(=O)Nc1ccc(C(=O)N2CCNC(=O)[C@H]2Cc2ccccc2-c2cccc(C)c2)cc1 257324987 WQZZAROLIDRRIE-RUZDIDTESA-N 441.531 3.804 0 40 IHAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 260935027 OEFSVYIZBTZIIC-HXOBKFHXSA-N 444.597 3.996 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)cc1C 90607599 KYRGUPSWXXGOTP-UHFFFAOYSA-N 430.448 3.650 0 40 IHAB Cn1ccc2c(NC(=O)CN3C(=O)c4ccccc4N4C(=O)c5ccccc5[C@H]34)cccc21 604419011 IXKOVXJMPFDBFR-XMMPIXPASA-N 436.471 3.932 0 40 IHAB CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)N2CC(Cc3cccc(OC(F)(F)F)c3)C2)C1 1615611244 ZIEJGZRRZAUJAP-KRWDZBQOSA-N 446.441 3.791 0 40 IHAB CCC(C)(C)NC(=O)[C@H](c1ccccn1)N(Cc1ccc(F)cc1)C(=O)c1csnn1 12872064 SLWZCCWEMGGVTA-IBGZPJMESA-N 441.532 3.761 0 40 IHAB CS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)cc1 13673293 MSQULTVRACQSPY-UHFFFAOYSA-N 428.485 3.706 0 40 IHAB COc1cc(/C=C2\N=C(c3cc(OC)c(OC)c(OC)c3)OC2=O)ccc1OC(C)C 14244965 XYNPYMCMQINETF-SXGWCWSVSA-N 427.453 3.853 0 40 IHAB COc1ccc(S(=O)(=O)N[C@@H](C)CCc2ccccc2)cc1C(=O)N1CCC(C)CC1 14400044 ZBNOXMFCCPJUIB-IBGZPJMESA-N 444.597 3.867 0 40 IHAB COc1ccccc1OCCNC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1 15380999 RJIXCGDIVOASFZ-UHFFFAOYSA-N 440.521 3.613 0 40 IHAB COc1ccc(CNC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)cc1OC 15700807 KRAVXODAMKLTTE-UHFFFAOYSA-N 444.484 3.574 0 40 IHAB CC(C)(C)c1ccc(/C=c2\sc3nc(=O)c(Cc4ccc(Cl)cc4)nn3c2=O)cc1 16741502 WPZRTHDHUCJHOV-UYRXBGFRSA-N 437.952 3.601 0 40 IHAB Cc1cc2nc([C@@H]3CCCN(C(=O)Cc4ccc5c(c4)OCO5)C3)cc(C(F)(F)F)n2n1 19129064 FNSHWBOJNUZNME-OAHLLOKOSA-N 446.429 3.734 0 40 IHAB COc1cccc(-c2noc([C@H]3CN(C(=O)c4cc5c(s4)CCCC5)CCO3)n2)c1 19566776 KFABRZSIEHJBRO-QGZVFWFLSA-N 425.510 3.899 0 40 IHAB CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCN(C(=O)c3ccc(N)nc3)C2)n1 19694260 NMVQVXAOIHHHSJ-KRWDZBQOSA-N 436.947 3.860 0 40 IHAB O=C(NCCO)c1sc2ccccc2c1[C@@H]1CN(Cc2ccc3ncccc3c2)CCO1 19697686 SOOCHSMCNWGTHP-NRFANRHFSA-N 447.560 3.745 0 40 IHAB COc1nc2ccccc2cc1/C=C/C(=O)N1CCN(Cc2c(C)nc3ccccn23)CC1 25638343 MQKTWLLVAJTGID-ZHACJKMWSA-N 441.535 3.557 0 40 IHAB O=C(CSC1=NS(=O)(=O)c2cc(F)ccc2N1)Nc1cccc(C(F)(F)F)c1 9761997 YQBXFHGUCIBLOP-UHFFFAOYSA-N 433.408 3.687 0 40 IHAB CCOc1ccc(NC(=O)CSc2nc(=O)n(Cc3ccco3)c3c2CCC3)cc1 10186715 BNSWTOJHKXZIEP-UHFFFAOYSA-N 425.510 3.503 0 40 IHAB CCc1nc2sc([C@@H](c3ccc(C(F)(F)F)cc3)N3CCC(O)CC3)c(O)n2n1 12341973 VORWUONUYDOEOB-OAHLLOKOSA-N 426.464 3.624 0 40 IHAB Cc1ccc(NC(=O)CSc2ncc3c(n2)-c2ccccc2N(C)S3(=O)=O)c(C)c1 20582704 ZBFGNPMIMXDTPO-UHFFFAOYSA-N 440.550 3.630 0 40 IHAB Cc1nc2sc([C@@H](c3cccs3)N3CCN(c4ccccc4F)CC3)c(O)n2n1 23158269 HPUZVFWPFUXLIM-QGZVFWFLSA-N 429.546 3.917 0 40 IHAB Cc1nnc2ccc(S(=O)(=O)N(Cc3ccccc3F)c3cc(F)cc(F)c3)cn12 49408601 IPHYCXXJHYBPCG-UHFFFAOYSA-N 432.427 3.851 0 40 IHAB Cn1nc(-c2ccccc2)cc1C(=O)NCCc1csc2nc(-c3cccc(F)c3)nn12 49504941 FKTDCZNVNLOCQX-UHFFFAOYSA-N 446.511 3.970 0 40 IHAB CCCc1c(C)c2c(O[C@@H](C)C(=O)OCC)cc(O[C@@H](C)C(=O)OCC)cc2oc1=O 627794 HWTRYCHJYHYCNK-GJZGRUSLSA-N 434.485 3.715 0 40 IHAB Cc1ccc(N(C(=O)c2csnn2)[C@H](C(=O)NC2CCCC2)c2ccccn2)c(C)c1 1357379 DUARZLAWFRGWTM-NRFANRHFSA-N 435.553 3.997 0 40 IHAB O=C(c1ccc(F)cc1)N(Cc1ccco1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 1378079 UDLWSAQVMQWOED-UHFFFAOYSA-N 434.423 3.874 0 40 IHAB CCn1c(CNS(=O)(=O)c2ccc(Cl)cc2)nnc1SCc1ccc(F)cc1 1388332 DIUDAFPUSJROES-UHFFFAOYSA-N 440.953 3.861 0 40 IHAB Cc1ccc(C)c(CS(=O)(=O)c2nnc(CCCCCNC(=O)OC(C)(C)C)o2)c1 2410338 MMLQDUHQUQBTLV-UHFFFAOYSA-N 437.562 3.898 0 40 IHAB COc1ccc2c(c1)c([C@@H](O)CN1CCC3(CC1)OCCO3)c(C)n2Cc1ccccc1 2438185 DTKFWHIMNBUWEN-DEOSSOPVSA-N 436.552 3.879 0 40 IHAB CCOc1ccc(C2C(C(=O)OC)=CN(Cc3ccc(F)cc3)C=C2C(=O)OC)cc1 2796639 JPEBMEJFDNNCNJ-UHFFFAOYSA-N 425.456 3.938 0 40 IHAB Cc1ccc2nc(CSc3nnc(-c4cccs4)n3C[C@H]3CCCO3)cc(=O)n2c1 3331150 BOKLQZOHPGWLBP-MRXNPFEDSA-N 439.566 3.794 0 40 IHAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)OCc1cccc(S(=O)(=O)N(C)C)c1 3390105 CLRCROQZWIABPM-UHFFFAOYSA-N 447.944 3.501 0 40 IHAB Cc1cc(C)n2nc(S[C@H]3CCCCN(C(=O)c4ccc(Cl)cc4)C3=O)nc2n1 8621875 KXGHOLBIDABRMC-INIZCTEOSA-N 429.933 3.708 0 40 IHAB Cc1cc(C(=O)CN2C(=O)NC(Cc3ccccc3)(Cc3ccccc3)C2=O)c(C)n1C 8777473 CFGKFMWUYIJHDA-UHFFFAOYSA-N 429.520 3.601 0 40 IHAB Cc1ccccc1-n1nnnc1S[C@@H]1CCCCN(C(=O)c2ccc(Cl)cc2)C1=O 8893006 UQMFIWFFEHQOAR-GOSISDBHSA-N 441.944 3.938 0 40 IHAB Cc1ccccc1-n1c(C)nnc1SCC(=O)Nc1cc(Cl)ccc1-n1cncn1 9111820 JIJQXUGBADTXID-UHFFFAOYSA-N 439.932 3.849 0 40 IHAB O=C(COc1ccc(Cl)cc1)Nc1c2c(nn1-c1cccc(Cl)c1)C[S@](=O)C2 9413449 SHDOYWXVDCYTMV-NDEPHWFRSA-N 436.320 3.959 0 40 IHAB O=C1CCN(C(=O)c2ccc(NS(=O)(=O)c3cc(Cl)sc3Cl)cc2)CC1 9546181 MMMAXTSEXXECQC-UHFFFAOYSA-N 433.338 3.661 0 40 IHAB COc1ccc(C(=O)NCCc2nnc3ccc(SCc4ccc(C)cc4)nn23)cc1 9578646 KZAYVWYNUMHWTI-UHFFFAOYSA-N 433.537 3.706 0 40 IHAB COc1cccc(NC(=O)CSc2nccn(-c3ccc(OC)c(Cl)c3)c2=O)c1 9761397 PCKLMFJRYCFIAJ-UHFFFAOYSA-N 431.901 3.634 0 40 IHAB NC(=O)c1ccccc1NC(=O)Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1 9784978 YEJVYANFSAVZJD-UHFFFAOYSA-N 429.889 3.721 0 40 IHAB 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427.233 3.910 0 40 IHAB Cc1ccc2sc(N(Cc3ccccc3)C(=O)[C@@H]3CCCN3S(C)(=O)=O)nc2c1C 16847951 GNPJWPRFAXFWJN-SFHVURJKSA-N 443.594 3.870 0 40 IHAB C[C@H](Sc1nnc([C@@H](C)Oc2ccccc2F)o1)C(=O)N1CC(=O)Nc2ccccc21 17040273 JVSOXRZAILJPMM-OLZOCXBDSA-N 442.472 3.815 0 40 IHAB C[C@@H](Oc1ccc(C(C)(C)c2ccccc2)cc1)C(=O)N1CCN(c2ncccn2)CC1 17097060 KRVBROQAGHQSQY-HXUWFJFHSA-N 430.552 3.919 0 40 IHAB CCCCCNC(=O)CCc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1CCC 17322232 HTBJBGZTWNBGJD-UHFFFAOYSA-N 436.622 3.716 0 40 IHAB C[C@@H](NC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1)c1ccc2c(c1)OCCO2 18108994 FPHPHRJJMUCMBT-MRXNPFEDSA-N 442.471 3.745 0 40 IHAB Cc1cccc(-c2cccc(C[C@@]3(C(N)=O)CCCN(C(=O)c4cnc(C)cn4)C3)c2)c1 19235439 LJQWGJRTRVTMCH-SANMLTNESA-N 428.536 3.711 0 40 IHAB Cc1ccsc1CN1CCc2nc([C@H]3CCCN3C(=O)Cc3ccccc3)[nH]c(=O)c2C1 19238682 IUXUWAAEYVJJAH-OAQYLSRUSA-N 448.592 3.604 0 40 IHAB COc1ccc(-c2ccc(C[C@@H]3CN(C(=O)CCc4ccncc4)CCNC3=O)cc2)cc1 19558303 VYQBCQRMWGGWLE-XMMPIXPASA-N 443.547 3.507 0 40 IHAB 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COc1ccc(C)cc1N([C@H](C)C(=O)NCc1ccc(Cl)cc1Cl)S(C)(=O)=O 220331617 WGNNUEGRXSBPBV-CYBMUJFWSA-N 445.368 3.781 0 40 IHAB COc1ccc(S(=O)(=O)NCc2cccc3ccccc23)cc1C(=O)N1CCCCC1 222852934 DOTGLITVJTXDFG-UHFFFAOYSA-N 438.549 3.953 0 40 IHAB CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CCc1ccc(OC)c(OC)c1 223142839 PYLLHLRVPBHFHI-LJQANCHMSA-N 432.948 3.843 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223195160 CWBWVWXCAYECBP-KRWDZBQOSA-N 442.581 3.850 0 40 IHAB CCCCOc1ccc(S(=O)(=O)Nc2cnc(N3CCCCC3)nc2N(C)C)cc1 224344701 YYFFQVSQMQLINE-UHFFFAOYSA-N 433.578 3.513 0 40 IHAB Cc1cccc(N(CC(=O)NCCSC2CCCC2)S(=O)(=O)c2ccccc2)c1 224639298 YTJJQORKYFXTJF-UHFFFAOYSA-N 432.611 3.982 0 40 IHAB COc1cc(CNS(=O)(=O)c2cc(Br)ccc2OC)ccc1OC(C)C 224767636 ASBZHKXFANWNPO-UHFFFAOYSA-N 444.347 3.732 0 40 IHAB CCCn1c(=O)sc2cc(S(=O)(=O)NCc3ccccc3CN3CCCC3)ccc21 224805393 CYFVTCKRTAGBIM-UHFFFAOYSA-N 445.610 3.547 0 40 IHAB C[C@H]1Cc2ccccc2N1C(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1 226007477 JXJNCWHGTHTWEG-SFHVURJKSA-N 438.524 3.994 0 40 IHAB CC1(C)C[C@H](O)[C@H]2CC[C@](CNC(=O)CCCn3cccn3)(c3ccccc3)CC[C@@H]2O1 257283624 OZBZHENSUPHCRV-KSZLKVKMSA-N 439.600 3.836 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)cc1C(=O)N1CCOCC1 408612878 ZJMHFCUHXBAWLZ-UHFFFAOYSA-N 429.325 3.575 0 40 IHAB C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 408645710 HWQMLTQPNVJOJO-NJAFHUGGSA-N 436.895 3.920 0 40 IHAB CCc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)cc2)cc1 408660289 NKEFCIBLZGAZTJ-ZRGHVXQMSA-N 446.503 3.580 0 40 IHAB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1C 408672880 XTBVGPKSKFVXCQ-UHFFFAOYSA-N 444.336 3.956 0 40 IHAB COc1ccc([C@H]2[C@H](NC(=O)c3cccc(C)c3)C(=O)N/[N+]2=C\c2ccc(Cl)cc2)cc1 409056317 CNYUGAOHTYKHHS-WAUWHALJSA-O 448.930 3.673 0 40 IHAB CCc1cccc2c(/C=C3\SC(=O)NC3=O)cn(CC(=O)NCc3cccs3)c12 409140419 FDFRMSPRYBXZHQ-MFOYZWKCSA-N 425.535 3.906 0 40 IHAB Cc1ccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3cccc(C)c3C)n2C)cc1 409146096 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O=C(COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)Nc1ccc(Cl)cc1 1942334 GJOXDRXWRRDQRW-UHFFFAOYSA-N 434.835 3.936 0 40 IHAB CCc1cc(=O)oc2cc(OC(=O)[C@H](NS(=O)(=O)c3ccc(C)cc3)C(C)C)ccc12 2107766 MOGSNQDPWWYEKT-JOCHJYFZSA-N 443.521 3.572 0 40 IHAB biogenic COc1ccc(C)cc1-n1nnnc1S[C@H](C)C(=O)Nc1ncc(Cl)cc1Cl 3533470 OPVHODNUOJHPGR-SNVBAGLBSA-N 439.328 3.800 0 40 IHAB CC(C)(C)c1ccnc(N[C@H]2CO[C@@H]3[C@@H](NC(=O)Nc4cccc5ccccc45)CO[C@H]23)n1 8297262 WIXLHPXDOZZVIF-SEIRJHJZSA-N 447.539 3.696 0 40 IHAB biogenic,in-vitro Cc1cc(C(=O)CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)c(C)n1Cc1ccco1 8860762 VYQYWMOQUGAXFS-QFIPXVFZSA-N 444.491 3.573 0 40 IHAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)Cn2c(=O)oc3ccccc32)cc1 8861065 PCGHFVAVIMURSF-QFIPXVFZSA-N 427.460 3.981 0 40 IHAB O=C(Nc1nc2c(s1)CCC[C@@H]2C(=O)NCCc1ccccc1)c1ccc2c(c1)OCO2 9104079 JFVCMGGZTINPSZ-KRWDZBQOSA-N 449.532 3.903 0 40 IHAB O=S(=O)(Nc1ccc2c3c(cccc13)CC2)c1ccc(S(=O)(=O)N2CCCC2)cc1 9220109 ZFONDHZXLDBUAK-UHFFFAOYSA-N 442.562 3.524 0 40 IHAB CCOc1ccc([C@H]2Nn3c(nnc3-c3ccccc3)S[C@@H]2C(=O)N(CC)CC)cc1 9238474 TZJCQTPOHJIBBK-UXHICEINSA-N 437.569 3.971 0 40 IHAB CN1c2ccccc2-c2nc(SCC(=O)Nc3cccc(Cl)c3)ncc2S1(=O)=O 9301244 HARBXJHVCQWLOK-UHFFFAOYSA-N 446.941 3.666 0 40 IHAB O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccccc1 9315615 BWQIPJVZIGUCGK-QHCPKHFHSA-N 427.504 3.793 0 40 IHAB Cc1ccc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1NC(=O)c1ccco1 9385532 LYWPXGFXLGIHCD-UHFFFAOYSA-N 444.491 3.961 0 40 IHAB COc1cc2c(cc1OC)[C@@H](c1ccc(F)cc1)N(C(=O)N[C@H](C(=O)O)C(C)C)CC2 9410636 UFLCMTAAMKGDNN-LEWJYISDSA-N 430.476 3.609 0 40 IHAB O=C(c1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]2[C@@H]2CCCN21 9451927 TYBYAPIGYJYMEO-WFEDQXDTSA-N 447.293 3.968 0 40 IHAB O=C(CSc1ccccc1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)NCC1CCCCC1 9461385 WFAGRDFJTXLEIP-UHFFFAOYSA-N 438.553 3.897 0 40 IHAB O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 9468916 YDBFQSKBKKRZGX-UHFFFAOYSA-N 446.529 3.771 0 40 IHAB Cc1cc(NC(=O)Cc2ccc(F)cc2)n(-c2ncnc3c2cnn3-c2ccccc2)n1 9661096 XIKJEHPRNGBUKE-UHFFFAOYSA-N 427.443 3.630 0 40 IHAB CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)C1=O 9790559 GYSXYUBNROZRJI-XNZHQCAVSA-N 437.584 3.955 0 40 IHAB C[C@H]1Cc2ccccc2N1C(=O)CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1 10145570 HQYALWNKSWGOJH-WMZOPIPTSA-N 435.549 3.645 0 40 IHAB CN(C)C(=O)CNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccc(Cl)cc1 10227163 KMXBLHZJXDAAMR-UHFFFAOYSA-N 447.926 3.618 0 40 IHAB O=C([C@@H]1COc2ccccc2O1)N(CCCn1ccnc1)c1nc2ccc(F)cc2s1 10381559 RDJPKFMESUKBLG-IBGZPJMESA-N 438.484 3.895 0 40 IHAB CCOC(=O)c1cccc(NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)c1C 10442803 VRHDRMSRQNVSOT-UHFFFAOYSA-N 438.933 3.538 0 40 IHAB CCCCNS(=O)(=O)c1cccc(NC(=O)c2cc(C)nc3c2cnn3C(C)C)c1 10967711 KBVQRBGTLWMXQL-UHFFFAOYSA-N 429.546 3.651 0 40 IHAB O=S(=O)(c1ccc(Cl)s1)N1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1 11695349 UJYLGWZLZVHJOK-UHFFFAOYSA-N 438.937 3.509 0 40 IHAB C[C@H](Oc1cccc(F)c1)C(=O)N1CCC[C@H](c2nc3ccc(F)cc3cc2C(N)=O)C1 12219700 OZEOIZJVJKYTAH-GJZGRUSLSA-N 439.462 3.785 0 40 IHAB Cc1ccc(NC(=O)CNc2cccc(-c3nnnn3C3CC3)c2)c(Br)c1 12521472 ZORBFUFFZCAMQN-UHFFFAOYSA-N 427.306 3.797 0 40 IHAB COc1ccc(C(=O)N(C)Cc2ccc(C)o2)cc1S(=O)(=O)Nc1ccc(C)cc1 12557028 VEYNRSGZUHQUIL-UHFFFAOYSA-N 428.510 3.978 0 40 IHAB CCOc1cc2c(cc1NS(=O)(=O)c1cc(Br)ccc1OC)O[C@H](C)C2 12584472 AJFPFZDVJSMHHL-LLVKDONJSA-N 442.331 3.981 0 40 IHAB Cc1ccc(C)c(N(C(=O)c2csnn2)[C@@H](C(=O)NC2CCCC2)c2ccncc2)c1 12637133 QNFJRVJDHAPKED-OAQYLSRUSA-N 435.553 3.997 0 40 IHAB Cc1cccc(N(Cc2ccccc2)C(=O)Cn2nc(C(=O)O)c3ccccc3c2=O)c1 12683610 GFBDBWKTSBNSPK-UHFFFAOYSA-N 427.460 3.637 0 40 IHAB CN(Cc1ccco1)C(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc(F)cc1 12782892 LVVWLPJVHQJKCW-UHFFFAOYSA-N 437.496 3.928 0 40 IHAB COc1ccc([C@@H](C)NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1F 12790667 IBFJXEPVTHLZHJ-GFCCVEGCSA-N 429.517 3.821 0 40 IHAB Cc1cc(=O)c(C(=O)N(C)CCOc2ccccc2Cl)nn1-c1ccc(Cl)cc1 12922585 YPJSFEWDPZFHER-UHFFFAOYSA-N 432.307 3.999 0 40 IHAB CCOC(=O)c1cc(NC(=O)CN[C@@H](C)c2ccccc2Cl)cc(C(=O)OCC)c1 13039921 WCLFOUGZLAYJDC-AWEZNQCLSA-N 432.904 3.983 0 40 IHAB CCOC(=O)c1sc2nc([C@@H](C)N(C)Cc3cccc(OC)c3OC)[nH]c(=O)c2c1C 13137669 RCMXINDUZPUTIQ-CYBMUJFWSA-N 445.541 3.680 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)COc1ccccc1C 13137732 LCHUMDHWJONEGR-UHFFFAOYSA-N 432.542 3.586 0 40 IHAB Cc1ccccc1NC(=O)COC(=O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1 13579176 CHLPFCKZJNTYDX-UHFFFAOYSA-N 432.432 3.741 0 40 IHAB CC[C@H](C(=O)Nc1ccc(OC)c(OC)c1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714241 BUQBJBYHPILLJO-MRXNPFEDSA-N 426.922 3.541 0 40 IHAB Cc1ccc(NC(=O)C2(c3cccc(F)c3)CCCC2)cc1S(=O)(=O)N1CCOCC1 14246306 LGGRWBPAUDLMCA-UHFFFAOYSA-N 446.544 3.606 0 40 IHAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCCCC2)N2[C@@H](c3ccccc3)Oc3ccccc3[C@@H]12 14671977 CLQLSXXVURXKCC-QNWVGRARSA-N 433.508 3.682 0 40 IHAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(N2C(=O)CCS2(=O)=O)cc1 15842640 RGGTWZAYIJPZDL-UHFFFAOYSA-N 432.807 3.678 0 40 IHAB CC(=O)c1cccc(NC(=O)CCc2csc(NS(=O)(=O)c3ccccc3)n2)c1 16848392 MAHASHBDSXFRST-UHFFFAOYSA-N 429.523 3.718 0 40 IHAB COc1ccc(CC(=O)Nc2ccc3c(c2)CN(S(=O)(=O)c2ccccc2)CC3)cc1 16953647 GHPAKGQZNDLODK-UHFFFAOYSA-N 436.533 3.623 0 40 IHAB C[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccc2c(c1)OCCO2 18838644 WMEWXMAHHUZOBE-CQSZACIVSA-N 444.534 3.811 0 40 IHAB COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@H]3N3CCCN23)cc1 19171264 HTXFPJPGGJPTLZ-FHWLQOOXSA-N 432.307 3.538 0 40 IHAB O=C(Cc1csc(-c2ccsc2)n1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 19198272 BXCAABNJODSQFB-UHFFFAOYSA-N 433.580 3.837 0 40 IHAB CC(C)c1nc(N2CCC(NC(=O)c3ccnn3C(F)F)CC2)ncc1-c1ccncc1 19451667 GRKRHVZIMCNOLD-UHFFFAOYSA-N 441.486 3.652 0 40 IHAB CS(=O)(=O)N1CCCc2cc([C@@H](O)CN3CC=C(c4ccc(Cl)cc4)CC3)ccc21 19572425 DBQDUEHXVQIWQO-QHCPKHFHSA-N 447.000 3.875 0 40 IHAB CCn1c(CN2CCOCC2)nc2cc(NC(=O)COc3ccc(Cl)c(C)c3)ccc21 20893226 OVZJFMMBLSHRPX-UHFFFAOYSA-N 442.947 3.868 0 40 IHAB CCOC(=O)c1c(NC(=O)COC(=O)c2cn3c(C)cccc3n2)sc(C)c1CC 21367868 ZNEXSEDJCXOQDK-UHFFFAOYSA-N 429.498 3.547 0 40 IHAB Cc1ccc(-c2cc(C(=O)N(Cc3cccs3)[C@H]3CCS(=O)(=O)C3)no2)cc1C 21524242 WSQGOHARPUGPSH-KRWDZBQOSA-N 430.551 3.849 0 40 IHAB Cc1nc(SCC(=O)Nc2cc(Cl)ccc2-n2cncn2)n(C[C@H]2CCCO2)c1C 21569266 ZJJHXYUWVVTOLV-MRXNPFEDSA-N 446.964 3.644 0 40 IHAB COc1ccc(-c2ccc(N3CCC[C@@H](C(=O)Nc4ccc5c(c4)OCO5)C3)nn2)cc1 23142689 OJTYCTPXPCPUBL-QGZVFWFLSA-N 432.480 3.736 0 40 IHAB CCCCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 24771940 OKHSEXFOVHWYJQ-ZDUSSCGKSA-N 437.425 3.608 0 40 IHAB COCCN(Cc1nnc(-c2cccs2)o1)S(=O)(=O)c1cc(Cl)cc(Cl)c1 25656795 RYDKIELHJAKLKF-UHFFFAOYSA-N 448.353 3.942 0 40 IHAB O=C(COC(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1)NCc1ccco1 25785636 HZLCEAHWNLLOBE-UHFFFAOYSA-N 425.828 3.852 0 40 IHAB CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)Nc1ccc(OC2CCCC2)cc1 29377138 DSQNQNJOYNXGIP-UHFFFAOYSA-N 427.526 3.541 0 40 IHAB O=C(COC(=O)COc1ccc(F)cc1F)Nc1cc(C2CC2)nn1-c1ccccc1 31234009 BHMIIEONKVBIAQ-UHFFFAOYSA-N 427.407 3.589 0 40 IHAB COc1cc2c(cc1OC)-c1c(c(C(=O)NCc3cccnc3)nn1-c1ccccc1F)C2 31820836 KAIIISLELPBLIC-UHFFFAOYSA-N 444.466 3.925 0 40 IHAB CCOc1cc(C(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)cc(-c2ccccc2)c1OC 32297480 UYOMLRJTDLRRAZ-RTBURBONSA-N 426.557 3.990 0 40 IHAB O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCC[C@H]1c1cccnc1 32462801 MWGHQTFGZPNYFE-QFIPXVFZSA-N 427.570 3.553 0 40 IHAB Cc1ccc(CSc2nnc3n(C)c(=O)c4ccc(C(=O)NC5CCCC5)cc4n23)cc1 33256822 NGWJCUFJZUZZDK-UHFFFAOYSA-N 447.564 3.854 0 40 IHAB CCc1ccccc1OCC(=O)Nc1cccc(OCc2cc(=O)n3oc(C)cc3n2)c1 35378584 YIZXWQOBULBBLZ-UHFFFAOYSA-N 433.464 3.755 0 40 IHAB CC(=O)NCc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2-c2cccc(C)c2)o1 35681619 QRKJPNZWKDLKDT-UHFFFAOYSA-N 447.516 3.898 0 40 IHAB CC(C)OCCCNC(=O)c1ccc2c(=O)n(-c3cccc(C(F)(F)F)c3)cnc2c1 36354868 WKTKLCQRLRBDKE-UHFFFAOYSA-N 433.430 3.949 0 40 IHAB COc1ccc(CCn2c(C)cc(C(=O)COC(=O)CCCCCNC(C)=O)c2C)cc1 36397944 ZJOFJMYFCMXVKV-UHFFFAOYSA-N 442.556 3.779 0 40 IHAB CSc1ncc(C(=O)N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)n1-c1ccccc1 40089579 CSAUXBANQNWHTB-QGZVFWFLSA-N 426.586 3.705 0 40 IHAB CCc1ccc(NC(=O)Cn2nc3c(Sc4ccc(C)cc4C)nccn3c2=O)cc1 67255569 FHJJSHVJHMERHV-UHFFFAOYSA-N 433.537 3.860 0 40 IHAB Cn1cc2c(n1)[C@H](C(=O)Nc1ccccc1F)CN(Cc1cnn(C3CCCCC3)c1)C2 72345614 GAAGBVWJDOZPGR-HXUWFJFHSA-N 436.535 3.999 0 40 IHAB Cc1cc(Cc2ccc(C(F)(F)F)cc2)cc([C@@H]2CCN(S(=O)(=O)N(C)C)C2)n1 72374755 BUYVPNILZINWHM-QGZVFWFLSA-N 427.492 3.595 0 40 IHAB O=C(Nc1ccc(NC(=O)N2CCN(Cc3ccc(Cl)cn3)CC2)cc1)c1ccco1 95942593 QFBZNDJIQFMANW-UHFFFAOYSA-N 439.903 3.930 0 40 IHAB COc1ccc(-n2ccc(-c3cc(C(=O)N4CCC(N(C)C)CC4)c4ccccn34)n2)cc1 96266727 AOMDVTBLRBCPFU-UHFFFAOYSA-N 443.551 3.967 0 40 IHAB O=C(c1cccc(NS(=O)(=O)c2ccc3[nH]nnc3c2)c1)N1CCC[C@@H]1C1CCCC1 97010987 IYWYCSDCMZNQEH-OAQYLSRUSA-N 439.541 3.554 0 40 IHAB COc1ccc(-c2cc(N3CCC(NC(=O)c4cccc(OC)c4OC)CC3)[nH]n2)cc1 98212794 SYEURFUNIDYQTA-UHFFFAOYSA-N 436.512 3.501 0 40 IHAB Cc1c(Cl)cccc1N(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O)C(=O)C(F)(F)F 100395331 UOFDCAXNIFHUFR-IHYJYHRXSA-N 438.833 3.554 0 40 IHAB CSCC[C@H](C(=O)N(C)c1nc2ccccc2s1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 101098320 LZUWOZFMXDXUCZ-IJEWVQPXSA-N 431.583 3.556 0 40 IHAB C[C@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3CC4)c2C(=O)NC2CC2)C1 102340202 IEZGPMAEFGGQJC-DHMYTKHGSA-N 428.554 3.617 0 40 IHAB COc1ccc(NC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5C=C(C)[C@@H](C5)[C@H]4C3=O)cc2)c(OC)c1 102641753 CEDSGCWLYGCYIV-HOWVWPRWSA-N 432.476 3.658 0 40 IHAB Cc1ccc(OC[C@H](C)NC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)cc1 219969532 SUDQLIUTLSVKGJ-IBGZPJMESA-N 430.570 3.508 0 40 IHAB Cc1cc(C(=O)O)ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)o1 223633531 FOCQNDDDKGVFPL-SFTDATJTSA-N 437.521 3.703 0 40 IHAB Cc1ccc(C(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1S(=O)(=O)N1CCCC1 224023859 DHAKCUAGOMCNMG-UHFFFAOYSA-N 444.597 3.886 0 40 IHAB COc1cccc(OC)c1CNC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2)c1 224078827 CMLBEULBOLXCJG-UHFFFAOYSA-N 440.521 3.743 0 40 IHAB C[C@@H](COc1ccccc1)NC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(F)cc2)c1 224178953 IYTQJFWXSJHRKL-KRWDZBQOSA-N 442.512 3.848 0 40 IHAB CSc1ccc(S(=O)(=O)Nc2ccc(N3CCCC3=O)c(C)c2)cc1NC(C)=O 224581791 ZTALYCUNNZAROH-UHFFFAOYSA-N 433.555 3.603 0 40 IHAB CC[C@@H](C(=O)NCc1ccccc1CN1CCCCC1)N(c1ccccc1)S(C)(=O)=O 224832441 NDYCJFCHHFSWIG-QHCPKHFHSA-N 443.613 3.534 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)N1c2ccccc2C[C@@H]1C 224910980 DCGRTPVAQNAMHX-SFHVURJKSA-N 442.581 3.780 0 40 IHAB O=C(Nc1nnc(S(=O)(=O)Nc2ccc3c4c(cccc24)CC3)s1)c1ccccc1 225201955 SWLHMEQWOSANCB-UHFFFAOYSA-N 436.518 3.843 0 40 IHAB Cc1cccc(C)c1N1CC[C@@](C)(C(=O)Nc2ccc(OC3CSC3)cc2)S1(=O)=O 225947335 QBKBFXZECRVOCY-QFIPXVFZSA-N 446.594 3.735 0 40 IHAB Cc1cccc(Nc2cncc(C3CCN(S(=O)(=O)c4ccc(C)c(F)c4)CC3)n2)n1 257265425 LYPHHYYRMKKOBJ-UHFFFAOYSA-N 441.532 3.939 0 40 IHAB CC[C@@H](O)Cn1nc(-c2cc(C(=O)O)ccc2OC)cc1-c1cccc(OC)c1OC 257297360 RGYBTLLRRQIYHM-OAHLLOKOSA-N 426.469 3.712 0 40 IHAB COCc1ccc(OC)c(CN2CCO[C@H](c3cccc(Nc4cc(C)n(C)n4)n3)C2)c1 257330693 XPMVPKOBPRHPBS-QFIPXVFZSA-N 437.544 3.596 0 40 IHAB COc1cccc(N([C@@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)S(C)(=O)=O)c1 260587837 BAPNNMOPKCQQNJ-JXFKEZNVSA-N 446.569 3.577 0 40 IHAB Cc1ccc(N([C@H](C)C(=O)NCCSCc2ccc(Cl)cc2)S(C)(=O)=O)cc1 408547226 XCGNETLCAQIXCL-MRXNPFEDSA-N 441.018 3.853 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NC2CCCCCCC2)C1 408582163 BRAJTPYVKUVDNA-MRXNPFEDSA-N 443.009 3.978 0 40 IHAB CC(=O)Nc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)cc(C)cc3C)C2)c1 408584008 LDSWYDIMRNHFIB-IBGZPJMESA-N 443.569 3.610 0 40 IHAB CCn1c(Cc2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1ccccc1C 408636973 DTDSECYHNSJGBE-UHFFFAOYSA-N 426.542 3.945 0 40 IHAB CCc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4C3=O)c2)cc1 408656849 JICXHLDXYJBVIH-DODAUVCRSA-N 446.503 3.580 0 40 IHAB Cc1cccc(C)c1NC(=O)COC(=O)c1cccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)c1 408659635 MKYGLEDWKQFQEG-BGYRXZFFSA-N 434.492 3.779 0 40 IHAB CCc1cccc2c(/C=C3\SC(=O)N(C(C)C)C3=O)cn(CC(=O)N3CCOCC3)c12 409128899 SUTBXJIBNDOSPO-UNOMPAQXSA-N 441.553 3.507 0 40 IHAB Cc1ccc2c(O)c(C(=O)N3CCC[C@@H](NC(=O)c4ccc5ccccc5c4)C3)cnc2n1 531521157 HTHSVOFFKHEHGY-HXUWFJFHSA-N 440.503 3.832 0 40 IHAB CCOc1ccccc1C(=O)N1CCN(C)C(=O)[C@@H]1Cc1ccc(-c2ccncc2)cc1 585169040 WAZVSDNTHGYBED-QHCPKHFHSA-N 429.520 3.673 0 40 IHAB CCn1cc(C(=O)N2CCC[C@@]3(CCCCCOc4ccccc4C(=O)NC3)C2)c(C)n1 643559280 ARTAHCOAUYKRNL-RUZDIDTESA-N 438.572 3.817 0 40 IHAB CN1CCCCCCN(C(=O)Cn2ccnc2)[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643581833 CENRBSOJOBTERD-GGAORHGYSA-N 438.572 3.748 0 40 IHAB Cn1ncc(C(=O)NC[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)c1Cc1ccccc1 1135170751 VKYWBFPRGGKRRG-LJQANCHMSA-N 426.561 3.778 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(Br)cc3)C2)cc1 792273 XXHNYNAPMFUPNJ-HNNXBMFYSA-N 437.359 3.797 0 40 IHAB COc1cc(-c2nnc(SCC(=O)Nc3ccc(C)cc3)n2C)cc(OC)c1OC 873207 BTWYNWDANJKMRG-UHFFFAOYSA-N 428.514 3.547 0 40 IHAB COc1ccc(NC(=S)N(CCN(C)C)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1 880625 IAQPHNJNAWAQPU-UHFFFAOYSA-N 438.597 3.914 0 40 IHAB Cc1ccc(S(=O)(=O)NCCC(=O)Oc2cc3oc(=O)c(C)c(C)c3cc2Cl)cc1 2095290 VICMAXULEIDDMU-UHFFFAOYSA-N 449.912 3.646 0 40 IHAB biogenic O=C(COC(=O)/C=C/c1cccc(C(F)(F)F)c1)NC(=O)c1ccc(OC(F)F)cc1 2637443 KMKDUUWNHNNICC-RUDMXATFSA-N 443.324 3.820 0 40 IHAB O=C(Nc1ccccc1N1CCOCC1)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 3560362 CCVISQKTULOPGR-UHFFFAOYSA-N 441.487 3.572 0 40 IHAB Cc1cc(NC(=O)CSc2nc3ccccc3n2CC(=O)N2C[C@@H](C)C[C@H](C)C2)no1 4083358 FHERHKIMXQIVCA-GJZGRUSLSA-N 441.557 3.568 0 40 IHAB O=C(Nc1ccccc1)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)c2cccs2)C1 4258964 QWRWZYAPQVSQKJ-JKSUJKDBSA-N 434.521 3.813 0 40 IHAB biogenic,in-vitro CC[C@H](C)c1ccccc1NC(=O)CN(CC)CC(=O)Nc1ccc2c(c1)OCCO2 6509074 JJESXDKFCYVCRX-KRWDZBQOSA-N 425.529 3.870 0 40 IHAB CCOC(=O)CN1C(=O)[C@H](Sc2nc(-c3cccc(C)c3)n[nH]2)CCc2ccccc21 8681100 JRDAECDPTXTICE-LJQANCHMSA-N 436.537 3.783 0 40 IHAB CC(C)n1ncc2cc(NC(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccccc3)cnc21 8704773 LFKLGFYKGKLDSR-JOCHJYFZSA-N 427.508 3.992 0 40 IHAB O=C(CCCn1c(=O)oc2ccccc21)Nc1ccc(-c2nnc3n2CCCCC3)cc1 9244860 CLHMNCWLQUEXHI-UHFFFAOYSA-N 431.496 3.998 0 40 IHAB CCn1c(CC(=O)Nc2ccc(C)cc2C)nnc1SCC(=O)N1CCc2ccccc21 9303131 AMPFFSUOWBMJGQ-UHFFFAOYSA-N 449.580 3.777 0 40 IHAB COc1ccc(C(=O)Nc2nnc(SCC(=O)Nc3ccc(F)cc3)s2)c(OC)c1 9365792 FCDOPSRQSDGEJI-UHFFFAOYSA-N 448.501 3.678 0 40 IHAB O=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H]1CCCN(c2nc(Cl)nc3[nH]cnc23)C1 9421412 ABLCYXLJOGTQNO-SNVBAGLBSA-N 440.813 3.760 0 40 IHAB O=C(CSc1ncnc2c1cnn2-c1cccc(Cl)c1)Nc1ccc2c(c1)OCO2 9517708 KFLRMSQKXRMHFU-UHFFFAOYSA-N 439.884 3.928 0 40 IHAB O=C1CCCN1c1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)cc1 9666267 JMNGBVJEFZDWBQ-UHFFFAOYSA-N 442.537 3.676 0 40 IHAB COc1ccc(N(C(=O)c2ccccc2C(F)(F)F)[C@H]2C=CS(=O)(=O)C2)c(OC)c1 9958514 HKSDXKMZEWAKEO-ZDUSSCGKSA-N 441.427 3.680 0 40 IHAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1csc(-c2ccc(OC)cc2)n1 10024245 UPGWHBYQGCDLNS-NRFANRHFSA-N 449.532 3.743 0 40 IHAB CNc1nc(N2CCN(c3ccccc3OC)CC2)nc2c1C(=O)C[C@H](c1ccccc1)C2 10157677 WQCDIBNABDOPHY-LJQANCHMSA-N 443.551 3.766 0 40 IHAB COc1ccccc1COC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1 10586794 ISZLEUVCXIYYLM-UHFFFAOYSA-N 441.505 3.886 0 40 IHAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)Oc2ccc3c(C)cc(=O)oc3c2C)C(C)C)cc1 11867497 KNPLGINMHSHNSJ-NRFANRHFSA-N 443.521 3.627 0 40 IHAB biogenic COc1ccc(CN2CCN(c3c(F)cccc3[C@@H](O)c3cccnc3)CC2)cc1OC 12089587 YWPRAGVWJGCDLI-VWLOTQADSA-N 437.515 3.642 0 40 IHAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 12508035 GXVRQOCVXMRQOO-UHFFFAOYSA-N 430.507 3.550 0 40 IHAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)COc2ccccc2)cc1 12591980 WDSHSODMGPVOLF-DEOSSOPVSA-N 444.487 3.995 0 40 IHAB Cc1cc(NC(=O)[C@@H]2CCC(=O)N2[C@H]2OC(=O)c3ccccc32)ccc1Br 12662080 AKWHVGTZAXRADV-LPHOPBHVSA-N 429.270 3.556 0 40 IHAB biogenic Fc1ccc(-c2csc3ncnc(NCCCN4CCN(c5ncccn5)CC4)c23)cc1 12771667 GGMSGBRAZZTSON-UHFFFAOYSA-N 449.559 3.912 0 40 IHAB Cc1cccc(CCN(C(=O)c2csnn2)[C@H](C(=O)NC(C)(C)C)c2ccco2)c1 12872811 DMLCNPLBVLEAGU-IBGZPJMESA-N 426.542 3.780 0 40 IHAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2c(C)nc(C(C)C)nc2SC)c1 12905100 OKEYFZQPCNGSEG-UHFFFAOYSA-N 436.603 3.913 0 40 IHAB COc1cc(CCC2CCN(CN3C(=O)N[C@@]4(CCCC[C@H]4C)C3=O)CC2)cc(OC)c1 12943509 YDQOHLCNNABMOB-IQGLISFBSA-N 443.588 3.807 0 40 IHAB CC[C@H](C(=O)Nc1ccc(Cl)c(C(=O)OC)c1)N(c1ccc(C)cc1)S(C)(=O)=O 13713757 VXDINRHYJAMDRO-GOSISDBHSA-N 438.933 3.618 0 40 IHAB CCc1ccccc1NC(=O)Cc1nnc(SCC(=O)Nc2c(F)cccc2F)n1C 13956669 KCLUZXGJDYKPTM-UHFFFAOYSA-N 445.495 3.568 0 40 IHAB CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)Cc1cnn(-c2ccccc2)c1 14848224 UJOVVPOLIVYXSB-UHFFFAOYSA-N 435.915 3.744 0 40 IHAB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1 15541607 ZHXWKZMRUHKWIQ-JOCHJYFZSA-N 449.576 3.516 0 40 IHAB Cn1ccnc1[C@@H](NC(=O)C[C@@H]1Sc2ccccc2NC1=O)c1ccc(Cl)cc1 16262076 UJYYAFFCXXBHLV-HKUYNNGSSA-N 426.929 3.782 0 40 IHAB COc1cccc(O[C@H](C)C(=O)N2CCC([C@@H]3C[C@H](C(F)F)n4nc(C)cc4N3)CC2)c1 19128404 MVPGWPGECZDMFQ-UIAACRFSSA-N 448.514 3.897 0 40 IHAB COc1ccc(C(=O)c2cn(CC(=O)Nc3ccc4ncn(C)c4c3)c3cnccc23)cc1 19291809 NLVGTWWZQUTPSX-UHFFFAOYSA-N 439.475 3.801 0 40 IHAB Cn1cc2c(n1)[C@@H](C(=O)NCCc1c[nH]c3ccc(F)cc13)CN(Cc1cccc(F)c1)C2 19701267 MOJLOZZHPBMENW-QFIPXVFZSA-N 449.505 3.638 0 40 IHAB CNc1nc([C@H]2CCCN2C(=O)C2(c3ccccc3F)CCCC2)nc2c1CCN(C)C2 19707394 VJFYVJHSTINLCB-OAQYLSRUSA-N 437.563 3.821 0 40 IHAB Cc1ccc(C)c([C@H]2CCCN2C(=O)c2cccn(CC(=O)NC3CCCCC3)c2=O)c1 19750048 SPPGRTNLLMZSEA-HSZRJFAPSA-N 435.568 3.891 0 40 IHAB Cc1nc([C@H]2CCCN2C(=O)c2cccc(OCc3ccc(F)cc3)c2)ncc1C(N)=O 19755199 OKNKYZPSJDHLRI-OAQYLSRUSA-N 434.471 3.579 0 40 IHAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1 20019669 MCTYACTUXWIYJZ-LBPRGKRZSA-N 448.438 3.939 0 40 IHAB CC1CCN(S(=O)(=O)c2ccc(OCC(=O)N[C@H]3CCCc4ccccc43)cc2)CC1 20021377 LQPIWDQGEOKITR-QHCPKHFHSA-N 442.581 3.680 0 40 IHAB COc1cc2ncn(CC(=O)N(Cc3ccccc3)Cc3ccccc3)c(=O)c2cc1OC 20744382 PHSCISDNURYUKM-UHFFFAOYSA-N 443.503 3.643 0 40 IHAB CCOc1ccc(S(=O)(=O)NCCC(=O)OCc2cc3ccccc3nc2Cl)cc1 21275296 DGMFNNQBBMBBNO-UHFFFAOYSA-N 448.928 3.699 0 40 IHAB COc1ccc(CN2CCN(CC(=O)N3CC[C@@H](C)Sc4ccccc43)CC2)cc1 22810272 NHOICLAGYRZMSI-LJQANCHMSA-N 425.598 3.730 0 40 IHAB COc1cc(Br)c(OC)c(C(=O)NCc2ccc(CN3CCCC3)cc2)c1 23445377 ZMEDMSFTGKFLQW-UHFFFAOYSA-N 433.346 3.992 0 40 IHAB Cc1noc(C)c1COc1cccc(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)c1 23882649 CLWUALAXEAYLSW-UHFFFAOYSA-N 447.535 3.763 0 40 IHAB Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NCC(C)(C)N1CCOCC1 24864286 HWEZPPAHQBYXET-UHFFFAOYSA-N 427.492 3.978 0 40 IHAB O=C(NC(=S)Nc1nc2ccc(N3CCOCC3)cc2s1)c1cccc(Cl)c1 32127267 QEJIAYXTXGTSKA-UHFFFAOYSA-N 432.958 3.913 0 40 IHAB CCc1ccc(Oc2cc(N3CCC(C(=O)NCCc4cccnc4)CC3)ncn2)cc1 33312013 WWVZGDRDFSTAMZ-UHFFFAOYSA-N 431.540 3.802 0 40 IHAB CCOc1ccccc1-n1c(SCC(=O)Nc2nccs2)nnc1-c1cccnc1 35288996 JMGNYBCIUMMFLE-UHFFFAOYSA-N 438.538 3.915 0 40 IHAB COc1cc2oc(=O)c(CC(=O)NC[C@H]3CCCN4CCCC[C@H]34)c(C)c2cc1Cl 36569676 PMNRCGAXPRATRG-DNVCBOLYSA-N 432.948 3.687 0 40 IHAB biogenic O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)c1nc(N2CCCC2)ncc1Cl 40135780 XJHSUOACPKFZBJ-UHFFFAOYSA-N 449.264 3.639 0 40 IHAB CCSc1nc2c(c(=O)[nH]1)[C@H](c1cccc(Br)c1)C(C(=O)OC)=C(C)N2 44973643 YYSVDTKWYJAMDO-CYBMUJFWSA-N 436.331 3.649 0 40 IHAB O=C(Cn1ccc2cc(NC(=O)N3CCC[C@H]3Cc3ccccc3)ccc21)N1CCOCC1 58327084 MAOKIWLPJIKYSQ-QHCPKHFHSA-N 446.551 3.739 0 40 IHAB O=C(NC[C@@H]1CCCO1)c1cc2cc(Cl)ccc2o/c1=N\c1ccc2c(c1)OCCO2 67292862 OQVPKCHHNLYNDG-LTHSRMNQSA-N 440.883 3.999 0 40 IHAB CC(C)(C)CC(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3ccc(F)cc3)[C@@H]2CO)cc1 72321400 PFOSDMZCBPOTKO-NFBKMPQASA-N 428.504 3.661 0 40 IHAB biogenic,in-vitro CC(=O)N1CCCCC[C@H]1Cc1c(C(=O)NCCN2CCCC2=O)sc2ccccc12 72370774 CKYSMUAGWKKUOB-SFHVURJKSA-N 441.597 3.587 0 40 IHAB CCOC(=O)N1CCN(C(=O)c2cc(Cl)c3cccc(Br)c3n2)CC1 78869705 UUYVPZTXONRZKX-UHFFFAOYSA-N 426.698 3.565 0 40 IHAB C[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)C(=O)Cc1ccccc1 89368678 WXFPPGCVDDLENV-INIZCTEOSA-N 440.496 3.557 0 40 IHAB CCN(CC)C(=O)Oc1cccc(I)c1I 90449547 XZEIENGMIBARLF-UHFFFAOYSA-N 445.038 3.736 0 40 IHAB COC(=O)c1ccccc1NC(=O)COc1ccccc1C(=O)Nc1ccc(Cl)cn1 96191935 HMRJGNCYLXTAQD-UHFFFAOYSA-N 439.855 3.791 0 40 IHAB Cc1cc2nccc([C@H]3CC[C@H](CNC(=O)CCc4cc(OC(C)C)no4)CC3)n2n1 100159405 BXZSQOXUAXVWAE-HDICACEKSA-N 425.533 3.836 0 40 IHAB CO[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2c2nc(O)c3c(n2)CN(C2CCCC2)CC3)CC1 100237362 ZQGJHGDYSLBEHP-ZWCUEREDSA-N 442.604 3.742 0 40 IHAB COc1ccc(-c2nc([C@H]3CC[C@H](CNC(=O)C[C@H]4C=CCC4)CC3)[nH]c2C(N)=O)cc1 100687877 FORZQBLIHYPUEM-JENIJYKNSA-N 436.556 3.931 0 40 IHAB COc1cccc(CCn2c(=O)[nH]c3ccccc3/c2=N\C(=O)Nc2ccccc2F)c1 101114062 KZRNSWVGHIDPPB-XAYXJRQQSA-N 432.455 3.853 0 40 IHAB COc1ccc([C@H](CNC[C@@H](O)COCC2=CC[C@H]3C[C@H]2C3(C)C)N2CCCC2)cc1 102869649 ZSFOPVGFBCFPKH-AICRDVKUSA-N 428.617 3.792 0 40 IHAB Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Br)cc2)c(C)c1 138866381 BYJJYCVJGGWJKY-UHFFFAOYSA-N 433.302 3.967 0 40 IHAB O=C(COc1ccc(I)cc1)NCCSCc1ccccc1 219831190 SBAIXJRWVGZWKL-UHFFFAOYSA-N 427.307 3.720 0 40 IHAB CC[C@@H](NC(=O)[C@@H](C)N(c1cc(OC)ccc1OC)S(C)(=O)=O)c1ccc(C)c(C)c1 220223310 BHTZKCMLFQTTGR-YLJYHZDGSA-N 448.585 3.743 0 40 IHAB C[C@H](CC(C)(C)c1ccccc1)NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 223367193 CYXRNIOSXGFPJS-OAHLLOKOSA-N 444.582 3.825 0 40 IHAB CC(C)(C)c1ccc(N(CC(=O)NCCOc2ccccc2Cl)S(C)(=O)=O)cc1 224055783 DIEZEKCIBYDGLC-UHFFFAOYSA-N 438.977 3.599 0 40 IHAB CC[C@@H](NS(=O)(=O)c1nnc(NC(=O)c2ccc(C)cc2)s1)c1ccc(C)cc1 224533275 GMTQNICXYXTZTB-QGZVFWFLSA-N 430.555 3.837 0 40 IHAB CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccc(Cl)cc1 225470405 KZWLCOSQBKBYMW-CYBMUJFWSA-N 439.737 3.645 0 40 IHAB COc1ccc(CCNC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2C)cc1OC 225670197 GCYSDLOHPFVYET-PGMHBOJBSA-N 434.492 3.735 0 40 IHAB O=c1sc2cc(S(=O)(=O)Nc3cccnc3)ccc2n1Cc1ccc(Cl)cc1 225784859 HHLUBXWKZPTQLH-UHFFFAOYSA-N 431.926 3.961 0 40 IHAB S=C(NC[C@H]1CCCO1)Nc1nc(N2CCCCCC2)cc(N2CCCCCC2)n1 225909200 SWDKSVDHCDPSRL-GOSISDBHSA-N 432.638 3.703 0 40 IHAB Cc1cc(Nc2ncccn2)cc(C2CCN(C(=O)CN(C)Cc3ccccc3F)CC2)n1 257207612 BIMFXYSBTPDIEB-UHFFFAOYSA-N 448.546 3.901 0 40 IHAB Cc1cccc(Nc2cc(C)nc([C@H]3CN(C(=O)CCc4c(C)n[nH]c4C)CCO3)c2)n1 257235516 GYEHLPNXAZOOPY-JOCHJYFZSA-N 434.544 3.710 0 40 IHAB COc1ccc(C(=O)N2CCC(C)(c3cc(N)nc(C)n3)CC2)cc1NCc1cccnc1 257248941 JFWXCXSMEAOVNS-UHFFFAOYSA-N 446.555 3.577 0 40 IHAB CNC(=O)c1cccc([C@@H]2CN(C(=O)c3ccccc3-c3ccccc3)CCN2C(C)=O)c1 257271860 NABYGWIOIRIUOS-VWLOTQADSA-N 441.531 3.759 0 40 IHAB Cc1noc(C)c1C(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CCCCC2)C1 257291158 QFXMPMLHDAATSZ-FPOVZHCZSA-N 425.529 3.604 0 40 IHAB CCc1ccc(N([C@H](C)C(=O)NCCOc2ccccc2C(C)C)S(C)(=O)=O)cc1 260915071 CJZZXSQDSFLWBX-GOSISDBHSA-N 432.586 3.722 0 40 IHAB O=C(Cc1ccco1)N1CCC2(CC1)Oc1ccccc1-c1c2cnn1CCN1CCCC1 306139734 TYVOOYGDIWNQRL-UHFFFAOYSA-N 446.551 3.692 0 40 IHAB C[C@H](C(=O)N1CCCCCC1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408685494 QVPANNCENICCSS-AMYCXVDOSA-N 428.532 3.670 0 40 IHAB CCOc1ccc(C(=O)Nc2cccc(Br)c2)cc1S(=O)(=O)NC(C)C 408700811 MFTYEFACYMFEOX-UHFFFAOYSA-N 441.347 3.787 0 40 IHAB CCn1c(COc2ccc(C)cc2OC)nnc1SCC(=O)Nc1ccc(OC)cc1 409338885 QEHOXXHSSOWEMB-UHFFFAOYSA-N 442.541 3.933 0 40 IHAB CCC[C@@H](C)NS(=O)(=O)c1ccc(NCc2nccn2CCc2ccccc2)nc1 509562973 BWBIUUCPYTXKFG-GOSISDBHSA-N 427.574 3.600 0 40 IHAB Cc1cc(C(=O)NC[C@H]2CC3c4ccccc4C2c2ccccc23)nc2nc(O)nc(O)c12 524865045 NJEJAQVHYRVGRX-QDAZHVTCSA-N 438.487 3.772 0 40 IHAB COCCCN1CCC[C@]2(CCCN(S(=O)(=O)c3cc(C)c(Cl)cc3C)C2)C1 2056223591 UVKJJUJNQACOGF-NRFANRHFSA-N 429.026 3.860 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)cc1 789481 DKLOXIHPAYXZHZ-UHFFFAOYSA-N 437.359 3.797 0 40 IHAB Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc1C 839181 RFSXBXNNBCVJFG-UHFFFAOYSA-N 429.498 3.727 0 40 IHAB COc1ccc(NC(=O)Cn2c(CS(=O)(=O)c3ccc(C)cc3)nc3ccccc32)cc1 1400651 CDIPHPIKKVZJOB-UHFFFAOYSA-N 449.532 3.966 0 40 IHAB COc1ccc(C(=O)N[C@@H](C(Cl)(Cl)Cl)S(=O)(=O)c2ccc(C)cc2)cc1 2710462 XWXUWYZHBNBXIE-MRXNPFEDSA-N 436.744 3.904 0 40 IHAB CCOc1ccc(NC(=O)C(=O)c2cn(CC(=O)N3CCCCC3)c3ccccc23)cc1 3015433 SWCQEWZSFIZIBW-UHFFFAOYSA-N 433.508 3.874 0 40 IHAB C[C@H]1CCc2sc(C(=O)OCC(=O)Nc3cc(S(C)(=O)=O)ccc3Cl)cc2C1 3383670 QPGKRECVOLTPIV-NSHDSACASA-N 441.958 3.725 0 40 IHAB COc1cc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)cc(Br)c1OC 3662955 FWHQMBJAHDPNNO-ZROIWOOFSA-N 425.348 3.857 0 40 IHAB O=C1N[C@@H](c2ccc(Br)cc2)[C@@H](C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 4163281 DNRBHMCGLHWPTR-GRDNDAEWSA-N 443.219 3.553 0 40 IHAB C[C@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(S(=O)(=O)N2[C@H](C)CCC[C@H]2C)cc1 6174498 GHQNOWBZSFLQEI-TVFCKZIOSA-N 428.620 3.590 0 40 IHAB Cc1c(OCC(=O)NC2CC(C)(C)NC(C)(C)C2)ccc2c3c(c(=O)oc12)CCCC3 6659853 MGRLAFRCVOOOMK-UHFFFAOYSA-N 426.557 3.784 0 40 IHAB Cc1cc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2Cl)ccc1Br 9119346 GZPYKEZZHPTVQP-UHFFFAOYSA-N 431.739 3.670 0 40 IHAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)C2(CC(=O)NC(C)(C)C)CCCC2)c1C 9254184 JWNGQCLROCCKJK-MRXNPFEDSA-N 448.560 3.788 0 40 IHAB C[C@H](C(=O)O[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)N1C(=O)c2ccccc2C1=O 9390580 SAYGRMXQNDDUNX-VFNWGFHPSA-N 446.434 3.733 0 40 IHAB COC(=O)c1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cc(C)on2)cc1 9447864 FRVLMADIKPWGKC-LJQANCHMSA-N 434.379 3.765 0 40 IHAB O=C1Cc2cc(S(=O)(=O)Nc3ccc(Br)c(C(F)(F)F)c3)ccc2N1 9467420 FFDGXYDBYYBPFC-UHFFFAOYSA-N 435.221 3.763 0 40 IHAB CCCCc1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)s1 9507021 ZZTAWGDQJIIQTG-UHFFFAOYSA-N 430.555 3.958 0 40 IHAB O=S(=O)(Nc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCC2)c1cccs1 9569488 KKXQZFFLBINGIV-UHFFFAOYSA-N 434.564 3.690 0 40 IHAB Cc1cc(N2CCOCC2)nc(Nc2ccc(NC(=O)[C@H](C)Oc3ccccc3)cc2)n1 9573370 AXTPAGJJYZTSSU-SFHVURJKSA-N 433.512 3.771 0 40 IHAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1nn(-c2ccccc2)c(=O)c2ccccc12 9711847 SPRKVBCXDRMPIL-OAQYLSRUSA-N 428.492 3.546 0 40 IHAB CC(C)C(=O)N1CCCc2ccc(NC(=O)C(=O)NCCc3ccc(Cl)cc3)cc21 10221031 QZJOCIJPRQJGKG-UHFFFAOYSA-N 427.932 3.573 0 40 IHAB CCN(CC)[C@@H](CNC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2)c1cccc(OC)c1 10917310 NZJGXYXQCUXSCC-QRWLVFNGSA-N 427.570 3.941 0 40 IHAB COc1ccc(NC(=O)CSc2nnc(N3CCC(C)CC3)n2Cc2ccco2)cc1 11373069 RQKIVRJBSQAZOM-UHFFFAOYSA-N 441.557 3.895 0 40 IHAB COc1ccc(-c2cc3nc([C@@H](C)NC(=O)COc4c(C)cccc4C)nn3cn2)cc1 12085130 IBYPSDFPODLMML-QGZVFWFLSA-N 431.496 3.673 0 40 IHAB COCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1cccnc1Cl 12408380 PKECYDBGQFEYGB-UHFFFAOYSA-N 447.944 3.885 0 40 IHAB COC(=O)c1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1 12584535 BXBNENYIDMFBQW-UHFFFAOYSA-N 428.432 3.893 0 40 IHAB Cc1cc(NC(=O)Cc2cccs2)ccc1NC(=O)c1cccc(S(C)(=O)=O)c1 12921583 QHZFJKMYWUPULZ-UHFFFAOYSA-N 428.535 3.894 0 40 IHAB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCC3(CC2)OCCO3)cc1OC 12933680 SKARPIPQYKJWCJ-UHFFFAOYSA-N 449.507 3.536 0 40 IHAB c1ccc(Cn2c(SCc3nc(-c4ccccc4)no3)nnc2N2CCOCC2)cc1 13163868 PMIDQXAEPYGTBN-UHFFFAOYSA-N 434.525 3.505 0 40 IHAB O=c1cc(CSc2nc3ccccc3o2)nc(N2CCN(Cc3ccccc3)CC2)[nH]1 13639795 NTEYETVRIYFWME-UHFFFAOYSA-N 433.537 3.526 0 40 IHAB Cc1ccc(C(=O)NCCCN2CCCCCC2)cc1NS(=O)(=O)c1ccccc1 13668703 SWKNXGCZXBOBNE-UHFFFAOYSA-N 429.586 3.792 0 40 IHAB CCn1c(N2CCOCC2)nn(CN2CCc3sccc3[C@@H]2c2ccccc2)c1=S 14201258 RPYFQFAEQNWEIZ-FQEVSTJZSA-N 441.626 3.937 0 40 IHAB O=C(Cn1nc(-c2ccccc2)oc1=O)N(CCc1cccs1)Cc1cccs1 14231578 XYXMQUFTKRTTAA-UHFFFAOYSA-N 425.535 3.898 0 40 IHAB CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)c1 15014730 AIBJLHHDDFENMG-UHFFFAOYSA-N 438.908 3.721 0 40 IHAB COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)cc1F 15092247 PQYRXOPWDAQGTM-HZPDHXFCSA-N 434.533 3.682 0 40 IHAB O=C(NCc1ccccc1)C1CCN(C(=O)/C=C/c2cc(Cl)c3c(c2)OCO3)CC1 15175434 BWKUMPYNAMVUIZ-VOTSOKGWSA-N 426.900 3.637 0 40 IHAB O=S(=O)(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccc1C(F)(F)F 16123924 PDFCHYNZHBPFLU-UHFFFAOYSA-N 448.488 3.681 0 40 IHAB CC[C@H](C)Oc1ccc(C(=O)NC(=S)Nc2ccc(NC(=S)NC(C)=O)cc2)cc1 16610380 FFUCZGNEFLVEBG-ZDUSSCGKSA-N 444.582 3.824 0 40 IHAB Cc1cccc(C(=O)NC(=S)N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c1 17096409 OMPKXNHLJITNJF-UHFFFAOYSA-N 429.414 3.527 0 40 IHAB COc1ccc(-c2nc(NC(=O)Cc3csc(N4CCCC4=O)n3)sc2C)cc1 18081203 UCSNSZLIKZWWIS-UHFFFAOYSA-N 428.539 3.892 0 40 IHAB COc1cccc(C(=O)N2CCCC[C@H]3CN(Cc4c[nH]nc4C(C)(C)C)C[C@H]32)c1OC 19083505 KZZZLGVZMAGYGA-FXAWDEMLSA-N 440.588 3.851 0 40 IHAB C[C@H]1CCc2c(sc3ncn(CC4(O)CCN(Cc5cccs5)CC4)c(=O)c23)C1 19497214 UQSOXLFACAZOAO-HNNXBMFYSA-N 429.611 3.671 0 40 IHAB CCN(CCN(C)C)c1nc(-c2cccnc2)nc2c1CN(Cc1ccc(F)cc1)CC2 19526590 QJXFVSMBVVSAGH-UHFFFAOYSA-N 434.563 3.624 0 40 IHAB Cc1nc(NC(=S)NC(=O)Cc2ccc(Cl)cc2)ccc1I 19644019 MVGMIHOBPBLHOA-UHFFFAOYSA-N 445.713 3.704 0 40 IHAB CCn1nc(C)c(CN2CCC[C@H](c3nc(C)c4c(n3)N(CC3CC3)C(=O)CC4)C2)c1C 19741494 BFNUIRFJBFCKLV-FQEVSTJZSA-N 436.604 3.687 0 40 IHAB CC(C)(C)C(=O)N[C@@]1(C(F)(F)F)N=C(c2ccccc2)N(CCc2ccccc2)C1=O 19939439 PILDEHQGJXXUBZ-QFIPXVFZSA-N 431.458 3.939 0 40 IHAB CCc1ccc2ncc(S(=O)(=O)c3ccccc3)c(N3CCC4(CC3)OCCO4)c2c1 20380856 NPFJGLSJSLSPIC-UHFFFAOYSA-N 438.549 3.973 0 40 IHAB Cc1ccc(SCC(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1 21760474 KGFJVRRHWNFJJM-UHFFFAOYSA-N 430.595 3.851 0 40 IHAB CCCCCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OCC)c(C)c1 22268612 IMJXKWLQSKFYOC-NRFANRHFSA-N 432.586 3.590 0 40 IHAB CCCn1c(=O)n(CCC(=O)Nc2nc(CN3CCCCC3)cs2)c2ccccc21 22290377 LJRPQJZFNRTDJJ-UHFFFAOYSA-N 427.574 3.684 0 40 IHAB COc1cccc(CCCNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)c1 22334816 WPHGCBFGOHWQOW-UHFFFAOYSA-N 445.368 3.517 0 40 IHAB Cc1nc2sc([C@@H](c3ccc(F)c(F)c3)N3CCN(c4ccccc4)CC3)c(O)n2n1 22626905 UCTXFDJNXMOUMU-LJQANCHMSA-N 441.507 3.995 0 40 IHAB CCNc1nn(CC(=O)Nc2ccccc2OC)c(N)c1-c1nc(-c2ccccc2C)no1 23125420 DSINRRMIYLWHJD-UHFFFAOYSA-N 447.499 3.570 0 40 IHAB CS(=O)(=O)c1cc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)ccc1Cl 23656786 JWPRPLUHZNDRGU-UHFFFAOYSA-N 436.898 3.848 0 40 IHAB COC(=O)c1ccc(OC(=O)c2cc(C)nc3c2cnn3Cc2cccs2)c(OC)c1 23886937 JSCUPRJJQMZACD-UHFFFAOYSA-N 437.477 3.864 0 40 IHAB CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCc1cccc(Cn2ccnc2)c1 24749094 CVSVJBRNOZZXIE-MCSIRMTHSA-N 448.611 3.905 0 40 IHAB CN(C)S(=O)(=O)c1ccc(OCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 28207306 OOGKBRRTTDBTCY-UHFFFAOYSA-N 438.549 3.545 0 40 IHAB CCOc1ccc(N([C@H](C)C(=O)N[C@@H](CC)c2ccc(OC)cc2)S(C)(=O)=O)cc1 30754189 IEBRMLCAKSEBFX-IERDGZPVSA-N 434.558 3.516 0 40 IHAB CC1(C)CC(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)CC(C)(C)N1 30898124 ICBKQYWGKWDLCJ-QFIPXVFZSA-N 437.584 3.950 0 40 IHAB COc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCC2)cc1Br 31075358 JGXJYRCGXDRVJH-UHFFFAOYSA-N 439.375 3.532 0 40 IHAB COc1cccc2c([C@H](C(=O)O)N3CCN(c4cc(C)c5ccccc5n4)CC3)c[nH]c12 31807324 RMQJAUMEEWGWDS-XMMPIXPASA-N 430.508 3.981 0 40 IHAB O=C(COc1ccc(-c2nc(-c3ccccc3)no2)cc1)NCc1ccc2c(c1)OCO2 32578748 TYQNLASFDLMIAI-UHFFFAOYSA-N 429.432 3.828 0 40 IHAB C[C@H](Oc1ccc(F)cc1Br)C(=O)NCc1cccc(Cn2ccnc2)c1 32648812 ODEBALRPOYXJDS-AWEZNQCLSA-N 432.293 3.917 0 40 IHAB Cn1cnnc1Sc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)NC(=O)CS2 32966495 VPQASQLXLNGYMG-UHFFFAOYSA-N 431.930 3.916 0 40 IHAB Cc1ccc2[nH]c3c(=O)n(CCC(=O)N4CCN(c5cccc(Cl)c5)CC4)cnc3c2c1 35424243 ZRLRPYGOTPLNQW-UHFFFAOYSA-N 449.942 3.579 0 40 IHAB O=C(OCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 36398590 VJOOJYNTJGCBPI-MRXNPFEDSA-N 430.913 3.671 0 40 IHAB C[C@H]1CCCN(c2ccccc2CNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 36615081 JNMLHKYJEZSCOJ-SFHVURJKSA-N 427.570 3.528 0 40 IHAB O=C(Nc1ccc(N2CCOCC2)c(Br)c1)c1ccc2c(c1)OCCCO2 46077709 FRHOTEHIOKJULZ-UHFFFAOYSA-N 433.302 3.699 0 40 IHAB Cc1ccc(-n2c(=O)c3sccc3n(Cc3nc(-c4cccc(C)c4)no3)c2=O)cc1 48986432 IYDBUPZKEKUCBZ-UHFFFAOYSA-N 430.489 3.929 0 40 IHAB O=C(NC1CCN(C(=O)c2cn(-c3ccc(F)cc3)nn2)CC1)c1ccc2ccccc2c1 49406073 VFWSJHJIDCQHRJ-UHFFFAOYSA-N 443.482 3.594 0 40 IHAB COC(=O)C1=C(CN2CCC(Cc3ccccc3)CC2)NC(=O)N[C@H]1c1ccc(C)cc1 51318310 PAIWEEIITWUZLE-DEOSSOPVSA-N 433.552 3.731 0 40 IHAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(I)cc3)CC2=O)c(C)c1 59227382 KASQAGOHRZIHSC-CQSZACIVSA-N 434.277 3.900 0 40 IHAB Cc1ccc(C)c(C(=O)CSc2nnc3c(=O)n(-c4ccc(F)c(F)c4)ccn23)c1 64593873 WEMYJMOYZMGXRA-UHFFFAOYSA-N 426.448 3.750 0 40 IHAB Cc1nc([C@@H]2CCCN(C(=O)COc3ccccc3)C2)ncc1C(=O)Nc1ccccc1F 72345539 JLJOGPAUUQZZTA-GOSISDBHSA-N 448.498 3.961 0 40 IHAB O=C1NCCN(C(=O)CCCc2ccc(F)cc2)[C@H]1Cc1cccc(-c2cccnc2)c1 72351724 LYDLTZNFSNKIHG-DEOSSOPVSA-N 431.511 3.780 0 40 IHAB O=S(=O)(c1cccc2cccnc12)N1CCC[C@@H](c2nnc(-c3cccs3)o2)C1 72390086 KVBIOJGKVDIIOQ-OAHLLOKOSA-N 426.523 3.915 0 40 IHAB COc1ccc(CCc2n[nH]c(NC(=O)CCc3cn(C)c4ccccc34)n2)cc1OC 95476380 PGRLZLGFFOUCII-UHFFFAOYSA-N 433.512 3.670 0 40 IHAB COc1cc(C)ccc1OCC(=O)N1C[C@H](NC(=O)OC(C)(C)C)CC[C@@H]1C(F)(F)F 95997578 YPPYIYCHOYNYCW-RHSMWYFYSA-N 446.466 3.829 0 40 IHAB O=C(c1ccc(OC(F)(F)F)cc1)N1CC[C@H](S(=O)(=O)c2ccc(Cl)cc2)C1 96370685 UOHBJKPBLZYDBO-INIZCTEOSA-N 433.835 3.927 0 40 IHAB Cc1cc(CNc2cccc(C(=O)N3CCC[C@H]3CO)n2)cc(C)c1OCc1ccccn1 97165690 ALINFADBBPGLIA-QFIPXVFZSA-N 446.551 3.881 0 40 IHAB COc1ccc2c(c1)[C@H]1C[C@@](C)(NC(=O)[C@@H]1S(=O)(=O)c1ccc(C(C)(C)C)cc1)O2 102025664 HXMNWPBJRRRFTN-XQFWAAQXSA-N 429.538 3.547 0 40 IHAB Cc1ccccc1OC[C@@H](C)NC(=O)CN1c2ccccc2-c2ccccc2S1(=O)=O 219157583 KTLUIIUVZPBDLD-GOSISDBHSA-N 436.533 3.754 0 40 IHAB C[C@@H](C(=O)NCCc1ccc(F)cc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 224014636 GKEDBNKJIRGJPT-LBPRGKRZSA-N 433.332 3.646 0 40 IHAB CC[C@H](NC(=O)CCc1cc(S(=O)(=O)N(C)C)ccc1OC)c1ccc(C)c(C)c1 224119065 FGBXNSSVGXEJCA-NRFANRHFSA-N 432.586 3.762 0 40 IHAB Cc1ccc(NC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)cc1N1CCCC1=O 224278845 XVVKICQORSUZDF-UHFFFAOYSA-N 443.569 3.615 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCC1=CCCCC1)c1ccc(Br)cc1F 224893117 UPCDMXNNHOTQOS-UHFFFAOYSA-N 447.370 3.751 0 40 IHAB CCOC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(SC)cc1 224975403 XQIQHYAQAHRXDK-UHFFFAOYSA-N 444.372 3.929 0 40 IHAB Cc1nc2cc([C@@H]3CCCN3Cc3ccc(O)cc3)nn2c(C)c1CCC(=O)NC1CC1 257210248 BTUAFPOEFKRDNY-QHCPKHFHSA-N 433.556 3.600 0 40 IHAB O=C(CN1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1)Nc1nc2ccc(F)cc2s1 257211615 BZNKGEOZZVYVSK-REWPJTCUSA-N 441.528 3.824 0 40 IHAB CC(C)NC(=O)C1(Cc2ccc(-c3ccncc3)cc2)CCN(C(=O)[C@H]2CCCO2)CC1 257220760 DMAMNUWWTIMXSU-HSZRJFAPSA-N 435.568 3.604 0 40 IHAB CCc1ccc(CN2CCC(c3nnc([C@@H]4CCCCN4S(=O)(=O)CC)o3)CC2)cc1 257247350 IYPCGYJYEDDURV-NRFANRHFSA-N 446.617 3.888 0 40 IHAB CN(C)c1nc2ccccc2cc1CN1CCO[C@H](c2cccc(-c3cnn(C)c3)n2)C1 257268427 MLQPRLGHFPOHPN-DEOSSOPVSA-N 428.540 3.670 0 40 IHAB Cc1cc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc(C)c1Br 408648007 WJUCZUVFBVYAPB-HNNXBMFYSA-N 445.313 3.601 0 40 IHAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCCCCC3)c(C)c2)cc1 408674563 AJHLIEULEDCRPN-UHFFFAOYSA-N 446.569 3.976 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)c2ccc(OCC)c(S(=O)(=O)NCC)c2)cc1 408700712 KTCAABINZJCWDS-UHFFFAOYSA-N 448.541 3.593 0 40 IHAB CC(C)[C@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)N[C@@H]2CCCC[C@@H]2C)n1C 409160431 WZWIPNDPGJLQMF-HQRMLTQVSA-N 443.617 3.729 0 40 IHAB Cc1nccn1CCCN(C)CC(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 503071163 FUXCKFGREGCTMN-QHCPKHFHSA-N 429.568 3.943 0 40 IHAB O=C(CSc1nc2ccccc2o1)N1CCC[C@H](Oc2ncc(Br)cn2)C1 575613221 PSDVINUQQVSEOL-ZDUSSCGKSA-N 449.330 3.542 0 40 IHAB CC(C)(NC(=O)c1ccc(F)cc1)C(=O)N1CCOC[C@H](Cc2ccc3ccncc3c2)C1 585262060 FSTKUZOMFNUHDI-LJQANCHMSA-N 449.526 3.600 0 40 IHAB CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CC[C@H]2c2ccc(Cl)cc2)c(F)c1 1661928734 CUBFQGRMUUPUIV-KRWDZBQOSA-N 446.953 3.767 0 40 IHAB O=C1O[C@]2(CCN(C(=O)c3ccccc3CN3CCCC3)C2)CN1CCc1ccccc1 1848352753 PAPOSVLLNVHRMY-SANMLTNESA-N 433.552 3.562 0 40 IHAB COC(OC)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12 712644 DASXGRFLWVXOHQ-KWMZMRFFSA-N 443.474 3.995 0 40 IHAB COc1ccc(S(=O)(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)C2CCCC2)cc1 923430 KPITXPCPCNUEQE-UHFFFAOYSA-N 426.538 3.979 0 40 IHAB COc1cc(-c2noc([C@H]3CCCN(C(=O)Cc4ccccc4)C3)n2)cc(OC)c1OC 1364105 IBXGBOAVHMZBRJ-KRWDZBQOSA-N 437.496 3.711 0 40 IHAB CC(=O)Oc1ccc(C)cc1N1C(=O)c2ccc(-c3nc4ccccc4c(=O)o3)cc2C1=O 2313041 KFGXENLJWMKWBN-UHFFFAOYSA-N 440.411 3.889 0 40 IHAB CCOC(=O)c1c(N)n(CCCOC(=O)c2ccc(OC)cc2)c2nc3ccccc3nc12 2313773 SFNLDPWEPITQKT-UHFFFAOYSA-N 448.479 3.599 0 40 IHAB COc1ccc(N2C(=O)C[C@@H](N(Cc3ccco3)C(=O)c3ccc(Cl)cc3)C2=O)cc1 2378109 XHIUGZYYOUMTJI-HXUWFJFHSA-N 438.867 3.916 0 40 IHAB COc1ccccc1NC(=O)COc1ccc(C(=O)NCc2ccc(C)cc2)cc1OC 3347488 QPIXQTYCBPYEAN-UHFFFAOYSA-N 434.492 3.960 0 40 IHAB O=C(COc1ccccc1Cc1ccccc1)NCC(=O)Nc1ccc(F)c(F)c1F 3398498 WRCAYMXNRKISIX-UHFFFAOYSA-N 428.410 3.828 0 40 IHAB O=C(Cn1nc(-c2cccs2)oc1=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 8709489 LSYNSLPOLFTQAU-CYBMUJFWSA-N 426.523 3.581 0 40 IHAB COc1ccccc1CNS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)c(F)c1 8810908 HKCHMSRGKNMNSN-UHFFFAOYSA-N 432.448 3.704 0 40 IHAB CN(c1ccc(C(=O)CSc2nnc(C3CC3)n2-c2ccccc2)cc1)S(C)(=O)=O 8862117 HEBBOZLLZMGCEV-UHFFFAOYSA-N 442.566 3.516 0 40 IHAB Cc1ccc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1C 9124757 VBSNCPQZFLBSLM-UHFFFAOYSA-N 444.553 3.664 0 40 IHAB CCOC(=O)c1sc(NC(=O)CSc2nc(C)c(Cc3ccccc3)[nH]2)nc1C 9191514 SLSSGNGTFBRNQB-UHFFFAOYSA-N 430.555 3.981 0 40 IHAB O=C(NCCc1ccc(F)cc1)[C@@H]1CC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1 9199061 ICJQJHFJHZYISD-QGZVFWFLSA-N 427.907 3.710 0 40 IHAB COc1ccc(C(=O)NCc2nnc(SCc3ccc(Br)cc3)n2C)cc1 9426740 QSBGCRQNNQSZGP-UHFFFAOYSA-N 447.358 3.809 0 40 IHAB Cc1ccccc1N1C[C@H](C)Cn2c1nc1c2c(=O)n(CCCc2ccccc2)c(=O)n1C 9519321 NGGUDMLECTUNQK-SFHVURJKSA-N 443.551 3.626 0 40 IHAB NC(=O)c1ccsc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 9616705 IFJSXJLEZRGAGO-UHFFFAOYSA-N 435.534 3.826 0 40 IHAB Cc1cc(S(=O)(=O)NC[C@@H](c2cccs2)S(=O)(=O)c2cccs2)ccc1F 9742680 BQLCQALRSQWSKU-INIZCTEOSA-N 445.584 3.751 0 40 IHAB CCOC(=O)c1nn(-c2cccc(Br)c2)c(=O)cc1OCc1ccc(F)cc1 9761750 PDZHOJPKUNILJW-UHFFFAOYSA-N 447.260 3.890 0 40 IHAB NC(=O)c1ccc(NC(=O)Cc2csc(NC(=O)Nc3ccc(Cl)cc3)n2)cc1 9784980 RBOZGGJRAFPHPW-UHFFFAOYSA-N 429.889 3.721 0 40 IHAB CCNC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCC[C@@H]3C)ccc2C)c1 10022438 NYSOFFQMMMEVPC-KRWDZBQOSA-N 443.569 3.560 0 40 IHAB Cc1ccc(CCCNC(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1 10110493 DORFEPFWYNYFBH-UHFFFAOYSA-N 429.369 3.817 0 40 IHAB COc1ccc(CNC(=O)c2ccc(N(Cc3ccccc3F)S(C)(=O)=O)cc2)cc1 10434264 QVUSKFPJYYENHZ-UHFFFAOYSA-N 442.512 3.731 0 40 IHAB CCOC(=O)C1CCN(C(=O)COc2ccc3c(-c4ccccc4)cc(=O)oc3c2)CC1 11692363 IFXUORUKAOSJKO-UHFFFAOYSA-N 435.476 3.641 0 40 IHAB Cc1cc(C)c(NC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccccc3)c2=O)c(C)c1 12415854 GUDBNRJQMAAZRN-UHFFFAOYSA-N 438.549 3.862 0 40 IHAB Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1S(=O)(=O)N1CCOCC1 12542752 XPDVKJJTLMXOIZ-UHFFFAOYSA-N 436.533 3.935 0 40 IHAB Cc1c(C(=O)O[C@@H](C)c2nc3ccccc3c(=O)[nH]2)cnn1-c1ccc(C(F)(F)F)cn1 12558150 KTPFLEXXBRPHPS-LBPRGKRZSA-N 443.385 3.749 0 40 IHAB CCCCNC(=O)c1ccc(N2C(=O)N3CCc4c([nH]c5ccccc45)[C@@]3(C)C2=O)cc1 12662184 WTOWYPIVDDUFEI-VWLOTQADSA-N 430.508 3.938 0 40 IHAB biogenic COC(=O)c1ccc2c(=O)n(C[C@@H](C)O)c(SCc3ccc(F)cc3Cl)nc2c1 12776114 HYUFZFFMFHWPGS-LLVKDONJSA-N 436.892 3.649 0 40 IHAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 12806052 GBBXFMUCACVKIV-ZDUSSCGKSA-N 432.523 3.796 0 40 IHAB CC(C)CN(C(=O)c1ccc2ccccc2c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 12926404 ZYDAQPOLHBTOKU-UHFFFAOYSA-N 442.519 3.623 0 40 IHAB COc1ccc(-c2csc(NC(=O)Cn3cnc4sc(C)c(C)c4c3=O)n2)cc1 12933866 XJXIJBHPSBMVDJ-UHFFFAOYSA-N 426.523 3.846 0 40 IHAB CCc1ccccc1NC(=O)CN(C)CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1 13013430 YCDIFDUDYUFMMM-UHFFFAOYSA-N 431.540 3.821 0 40 IHAB CCN(C(=O)[C@H](C)Sc1nnc(-c2ccc(OC(F)F)cc2)n1N)c1ccccc1 13095669 BBMGEQYSHQTCRE-ZDUSSCGKSA-N 433.484 3.794 0 40 IHAB CC(=O)c1ccc(-c2ccc(/C=c3\sc4nc(-c5ccc(F)cc5)nn4c3=O)o2)cc1 13512304 RPLNTVNSIQSZOK-NDENLUEZSA-N 431.448 3.967 0 40 IHAB Cc1ccc(NC(=O)Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3sccc32)cc1C 13533311 PIOYCEYXJYZLJV-UHFFFAOYSA-N 437.496 3.668 0 40 IHAB O=C1CN(C(=O)CN2CCC(C(=O)c3ccccc3)CC2)c2ccc(C(F)(F)F)cc2N1 14321437 VBCKFQAFMSTYFN-UHFFFAOYSA-N 445.441 3.585 0 40 IHAB COc1cc(CNCCc2ccc(S(N)(=O)=O)cc2)ccc1OCc1ccc(C)cc1 16292476 VLPAMQOGVZHEPY-UHFFFAOYSA-N 440.565 3.562 0 40 IHAB CC[C@@H](NC(=O)CN(C)Cc1ccc2c(c1)OCCO2)c1ccc(Br)cc1 16381597 GWLMNMGLBDBMGE-GOSISDBHSA-N 433.346 3.920 0 40 IHAB CN(C)C(=O)[C@@H](OC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1 17726367 AENABFUBLLEXRL-IBGZPJMESA-N 435.446 3.690 0 40 IHAB Cc1ccc(C(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)CN(C2CCC(C)CC2)CC3)cc1 19135317 LEHGNBQRFHACDI-PXLSRWGNSA-N 434.584 3.992 0 40 IHAB CCN(CC)C(=O)c1cnc(C)nc1-c1ccc(CNC(=O)c2ccc3c(c2)OCO3)cc1 19526289 FKJPBQGJVNTDFF-UHFFFAOYSA-N 446.507 3.593 0 40 IHAB COc1cc(C)c(CN2CCN(c3c(F)cccc3[C@H](O)c3nccn3C)CC2)cc1C 19567371 VCHMGCVBCVPNRH-DEOSSOPVSA-N 438.547 3.589 0 40 IHAB CN1CCc2nc([C@H]3CCCN(C(=O)[C@H](c4ccccc4)C4CCCCC4)C3)[nH]c(=O)c2C1 19590212 NTNGDOTZDZICGB-XUZZJYLKSA-N 448.611 3.828 0 40 IHAB CNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CCN(Cc2ccc(OC)c(OC)c2)C1 19591684 PNGBQDFHSJGFEL-HHHXNRCGSA-N 445.563 3.947 0 40 IHAB COc1cccc(CN2CCC[C@H]2c2nc(N(C)C)ncc2-c2ccc(C(N)=O)cc2)c1 19690427 HCAATSBZJVIOPH-QFIPXVFZSA-N 431.540 3.654 0 40 IHAB CC(C)COc1ccccc1CN1CCO[C@H](c2nc(N(C)C)ncc2-c2cncnc2)C1 19692947 MHEWCFQSVWIBSI-QHCPKHFHSA-N 448.571 3.608 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc(SC)cc2)ccc1OC 20025092 GDLVVXIQCXMSTO-HNNXBMFYSA-N 436.599 3.939 0 40 IHAB O=C(NCc1ccc(-n2ccnc2)cc1)c1ccc(NS(=O)(=O)c2cccs2)cc1 20038438 GLZOIAXBDWFWRN-UHFFFAOYSA-N 438.534 3.665 0 40 IHAB COc1ccc([C@@H](CC(C)C)NS(=O)(=O)c2ccc(OC)c(C(=O)NC(C)C)c2)cc1 20451340 HWVZHJMWAPBCMO-OAQYLSRUSA-N 448.585 3.908 0 40 IHAB C[C@H](C(=O)N1CCCC1)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3ccccc3)[C@@H](C)[C@@H]2[C@H]1O 20466317 UAPMLPUGFYFEKS-PWPMMBIBSA-N 426.601 3.867 0 40 IHAB biogenic,in-vitro COc1ccc([C@@H](CNCC(=O)Nc2ccccc2-c2ccccc2)N2CCOCC2)cc1 22038437 GSBINIZEDSGDPP-AREMUKBSSA-N 445.563 3.964 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)Nc1nc(-c2ccc3c(c2)CCO3)cs1 22192230 UIIQUJGBAOURBZ-UHFFFAOYSA-N 443.550 3.556 0 40 IHAB CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)N1CCN(Cc2cccc(Cl)c2)CC1 22386268 NWNKUEDZEGELTD-NRFANRHFSA-N 428.964 3.831 0 40 IHAB CC(C)(C)OC(=O)NC1(CNC(=O)COc2ccc3c(c2)CCC(=O)N3)CCCCCC1 24496388 ICIQHHJRVUQSRY-UHFFFAOYSA-N 445.560 3.684 0 40 IHAB Cc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(Br)ccc3o2)N(C)C)cc1 28290124 XGOSDESYGGDRHH-QGZVFWFLSA-N 429.314 3.897 0 40 IHAB COC(=O)c1ccccc1Nc1nnc(SCc2ccc(C)cc2)n(-n2cccc2)c1=O 28534935 PVUPPMAOVHISHX-UHFFFAOYSA-N 447.520 3.882 0 40 IHAB CCc1ccc(N(CC(=O)N[C@H](CC(C)C)c2ccc(OC)cc2)S(C)(=O)=O)cc1 30864341 WIRBYLGMKBHSLC-JOCHJYFZSA-N 432.586 3.927 0 40 IHAB Cc1ccc(C(=O)CCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2O)cc1C 32855823 NBMAQZBNUUXUND-UHFFFAOYSA-N 444.553 3.785 0 40 IHAB O=C(C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)N[C@H]1CCN(Cc2ccccc2)C1 32903052 OVGXDICKOMWASK-LPHOPBHVSA-N 449.498 3.899 0 40 IHAB CCCOc1ccc(C(=O)CCC(=O)Nc2nc(-c3c[nH]c(C(N)=O)c3)cs2)cc1 32906092 GJUKZQDMXXQUMQ-UHFFFAOYSA-N 426.498 3.628 0 40 IHAB CC(C)[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)Nc1nc(-c2cccnc2)cs1 32991073 AXHKZFBMCFEFRF-FMAYLGMYSA-N 442.566 3.759 0 40 IHAB O=C(Oc1ccc(F)cc1Br)c1ccc(S(=O)(=O)N2CCCCC2)cc1 32994665 FRPOKROGXDOHOM-UHFFFAOYSA-N 442.306 3.982 0 40 IHAB COc1ccc(NC(=O)c2cc(-c3ccc(C)c(C)c3)n([C@@H]3CCS(=O)(=O)C3)n2)cc1 33325854 JCYHPKATOYDELK-LJQANCHMSA-N 439.537 3.787 0 40 IHAB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/C(=O)N(Cc3ccco3)C(=O)N=C2O)o1 33568843 DKZDYPKVMSERDN-MHWRWJLKSA-N 437.364 3.959 0 40 IHAB 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LLELNAFTVUFZAJ-UHFFFAOYSA-N 443.301 3.827 0 40 IHAB Cc1c(NC(=O)[C@H]2CCCCC[C@@H]2NC(=O)OC(C)(C)C)c(=O)n(-c2ccccc2)n1C 79055024 TZKZMCHVSIZTPI-OALUTQOASA-N 442.560 3.897 0 40 IHAB CCc1ccc([C@H](NC(=O)C(=O)Nc2cc(C(C)(C)C)nn2-c2ncccn2)C(C)C)cc1 83823575 VURZKYHEUHPZNN-OAQYLSRUSA-N 448.571 3.974 0 40 IHAB CC(C)C[C@@H](O)CNC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 84509813 NZMIWRUXNSPTIV-OAHLLOKOSA-N 445.368 3.931 0 40 IHAB O=C(CNc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)N1CCc2ccccc21 89861262 TYJXNDHLLGLDSS-UHFFFAOYSA-N 433.961 3.516 0 40 IHAB Cc1[nH]c(=O)c(C(=O)NCC2CCN(Cc3cccs3)CC2)cc1-c1ccc(O)cc1 95408229 KPELOWPKPUQZGH-UHFFFAOYSA-N 437.565 3.759 0 40 IHAB O=C(Nc1ccc(C(=O)N2CCC(C(=O)O)CC2)cc1)c1ncoc1-c1cccs1 95425515 UYRKTXQGYXNLSH-UHFFFAOYSA-N 425.466 3.592 0 40 IHAB O=C(CN1CCN(c2ccccc2O)CC1)N1CCc2sccc2[C@@H]1c1cccs1 95946815 PSHWJQOOJVKYEC-HSZRJFAPSA-N 439.606 3.812 0 40 IHAB O=C(Cc1ccc(Br)cc1)N1CC[C@H](S(=O)(=O)c2ccc(Cl)cc2)C1 96103482 ZGNGZEMHLANXDE-KRWDZBQOSA-N 442.762 3.720 0 40 IHAB COc1ccc2ccc(OC)c(/C=C3\SC(=O)N(CC(=O)N4CCCCC4)C3=O)c2c1 106754994 XLYRCDBJPIXNBC-MOSHPQCFSA-N 440.521 3.906 0 40 IHAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]3CC[C@@]2(O)[C@@H](C)OC(C)=O)C1 123406303 YSWRIYFDFKLCHS-AWEFZREVSA-N 436.589 3.614 0 40 IHAB COC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)OC(C)C)C3=O)o2)cc1 205785953 QDSXNCNUZGNCOC-LICLKQGHSA-N 429.450 3.721 0 40 IHAB CC[C@@H](NC(=O)CCCN(c1ccccc1)S(C)(=O)=O)c1ccc(OC)c(OC)c1 219175687 DBCCTQJYJMBXQO-LJQANCHMSA-N 434.558 3.518 0 40 IHAB CC(C)Oc1cccc(N(CC(=O)Nc2ccc(C(F)(F)F)cc2)S(C)(=O)=O)c1 220107388 ZQXJXGDQGNFVJQ-UHFFFAOYSA-N 430.448 3.897 0 40 IHAB CCOc1cccc(CNC(=O)[C@H](C)N(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1 220202301 ZSPWCHWTDGITNT-AWEZNQCLSA-N 444.475 3.575 0 40 IHAB CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1cc(C)c(Br)c(C)c1 222905661 XNRLYEUJDRGJNS-QGZVFWFLSA-N 447.373 3.651 0 40 IHAB COc1cc(C)c([C@H](C)NC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1C(C)C 223287069 LOANDPJUJPSLDA-INIZCTEOSA-N 436.549 3.910 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCCOc1ccc(F)cc1)c1cccc2ccccc12 224683897 MJXJUIKLSIQOQO-UHFFFAOYSA-N 444.528 3.720 0 40 IHAB CCCOCc1cc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)ccc1OCC 224709719 FAESFYUAZDMKDT-UHFFFAOYSA-N 440.540 3.699 0 40 IHAB CCOc1ccc(NC(=O)C(C)(C)NS(=O)(=O)Cc2cc(F)ccc2Cl)cc1 225923486 SYZHGHRVUHIKME-UHFFFAOYSA-N 428.913 3.715 0 40 IHAB O=C(C1[C@@H]2CCCC[C@@H]12)N1CCCC[C@H]1c1nc(O)c2c(n1)CN(Cc1ccncc1)CC2 247800765 FPKVWBIKHJLCJK-KNKQGSTJSA-N 447.583 3.625 0 40 IHAB CC(=O)O[C@H]1C[C@@H]2CC[C@H]3[C@H](CC[C@@]4(C)C(=O)C[C@H](OC(C)=O)[C@@H]34)[C@@]2(C)[C@H](OC(C)=O)C1 257348505 GJEJASFBAXHMOD-ZZJGWYLNSA-N 448.556 3.613 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)CCc3ccccc3)C2)cc1C 408584408 PKOOSGQVNXPOIA-FPOVZHCZSA-N 444.597 3.542 0 40 IHAB CCc1nc(S/C(=C\c2cc(Br)c(N3CCCCC3)o2)C(=O)O)n[nH]1 408632548 RFAXXDNAQRKIQB-XFXZXTDPSA-N 427.324 3.931 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N[C@@H](C)CCc1ccccc1 408701805 FZXGLNCAXFVFJA-SFHVURJKSA-N 430.570 3.621 0 40 IHAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccsc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408980222 FDFGRTFFDCBHBZ-GANRHZMWSA-N 444.965 3.513 0 40 IHAB O=C(N[C@@H]1C(=O)N/[N+](=C\c2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 409054865 OGQVLXXYTVFTGO-BZGJKYSBSA-O 440.857 3.634 0 40 IHAB CS(=O)(=O)N1CCCc2cc(C(=O)NCCc3nc4cc(Cl)ccc4s3)ccc21 531274103 ZIHIFOVODATXAO-UHFFFAOYSA-N 449.985 3.634 0 40 IHAB Cc1cc(OC[C@@]2(CC(=O)N3CCCCC3)CN(C(=O)C(C)C)CCO2)ccc1Cl 585285736 MJPACJTUYLFILM-HSZRJFAPSA-N 436.980 3.683 0 40 IHAB Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)Nc1ccccc1N=c1cc[nH]cc1 647641929 VPOTUGZXWIEILQ-UHFFFAOYSA-N 446.536 3.642 0 40 IHAB O=C(Nc1ccc(Oc2ccc(Cl)cc2)nc1)C(=O)N1CCC[C@@H](c2cc[nH]n2)C1 674198289 QGFIRYQEWNYUJY-CQSZACIVSA-N 425.876 3.595 0 40 IHAB Cc1nc(-c2ccc(S(=O)(=O)NC[C@H](O)c3ccc(-c4cccs4)o3)cc2)co1 1775966954 WHWBHWVWBXSPDI-KRWDZBQOSA-N 430.507 3.983 0 40 IHAB COc1ccc(-n2c(SCC3OCCO3)nc3sc4c(c3c2=O)CCCC4)cc1 2359342 BXDUDMMXXQVPPH-UHFFFAOYSA-N 430.551 3.800 0 40 IHAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2cc(C)n(Cc3ccco3)c2C)C1=O 8718321 MQSQRNDZRHYKIS-XMMPIXPASA-N 437.471 3.925 0 40 IHAB Cc1ccc(C)c(N2CCN(C(=O)c3ccc4c(=O)n5c(nc4c3)CCCCC5)CC2)c1 8912515 CJNZPBNXFBSHEZ-UHFFFAOYSA-N 430.552 3.702 0 40 IHAB Cc1ccc(S(=O)(=O)NC[C@@H](c2ccc(F)cc2)S(=O)(=O)c2cccs2)cc1 8968158 LREIUWNUEVUUTK-SFHVURJKSA-N 439.555 3.689 0 40 IHAB CCn1c(SCC(=O)N2CC(=O)Nc3ccccc32)nnc1-c1cccc(Cl)c1 9126102 YINHKQBDUZQDGZ-UHFFFAOYSA-N 427.917 3.696 0 40 IHAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(S(=O)(=O)c1c(C)noc1C)CC2 9126291 VSHPYLOJZLLYHP-IBGZPJMESA-N 434.539 3.707 0 40 IHAB CCOc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2C[C@@H]2CCCO2)cc1OC 9408905 YKHSCQXPXAHAPH-UPCLLVRISA-N 449.507 3.914 0 40 IHAB COC(=O)c1sc2nc(C)c3c(c2c1NC(=O)CN1CCC(C)CC1)CC(C)(C)OC3 9411118 AGIHEVHWECDAPY-UHFFFAOYSA-N 445.585 3.913 0 40 IHAB CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)CSc1nnc(C2CC2)n1C 9714051 WYNPRTMOSYRODG-UHFFFAOYSA-N 446.964 3.925 0 40 IHAB COc1ccc(N(CC(=O)NCc2ccc(C)cc2)S(=O)(=O)c2ccccc2F)cc1 9730364 UETNWFKTRVIYCZ-UHFFFAOYSA-N 442.512 3.654 0 40 IHAB O=C(CSc1nnc([C@@H]2COc3ccccc3O2)o1)c1ccc(N2CCCC2=O)cc1 9954751 XYSLQYPIGOUQPY-IBGZPJMESA-N 437.477 3.684 0 40 IHAB COc1ccc(N([C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)S(C)(=O)=O)cc1Cl 10364797 UZIIVGOCVOKTKH-BUBBNXEVSA-N 440.993 3.588 0 40 IHAB Cc1cc(C(=O)COC(=O)c2ccc(S(N)(=O)=O)cc2)c(C)n1CCC1=CCCCC1 10795098 RXEFREIQMWHUIT-UHFFFAOYSA-N 444.553 3.683 0 40 IHAB Cc1cc(C)cc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)c1 11652349 LIQMNTMPOCEMEL-GOSISDBHSA-N 437.359 3.858 0 40 IHAB Cc1sc2nc(C(C)C)n([C@@H]3CCCN(CC(=O)NC4CCCC4)C3)c(=O)c2c1C 12184144 GFNHPCXODPWMHA-GOSISDBHSA-N 430.618 3.894 0 40 IHAB CC(C)c1ccc(Nc2nn(CN3CCN(C(=O)[C@H]4CCCO4)CC3)c(=S)s2)cc1 12552309 SWJQDYXAEDSZKA-GOSISDBHSA-N 447.630 3.822 0 40 IHAB COc1ccccc1N(CC(=O)N1CCCC[C@@H]1C)S(=O)(=O)c1ccc(Cl)cc1 12642862 RBUGVSWPSGPPPQ-INIZCTEOSA-N 436.961 3.945 0 40 IHAB O=C(CSc1nnc(NC(=O)c2c(F)cccc2F)s1)NCc1cccs1 12643479 BHSCOTOHCZWYLD-UHFFFAOYSA-N 426.495 3.539 0 40 IHAB Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2ccc(OCc3cscn3)cc2)cc1 12683906 LFVLHCASHNJUMO-HSZRJFAPSA-N 437.565 3.834 0 40 IHAB CSc1ccccc1NC(=O)[C@H](C)OC(=O)[C@@]12CCC(=O)N1c1ccccc1S2 12908932 WMVKWXJUXYHQAD-ZSEKCTLFSA-N 428.535 3.908 0 40 IHAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)[C@@H](C)Oc2cccc(Cl)c2)CC1 13006473 RCCOPHGYTOPUTF-GOSISDBHSA-N 429.948 3.507 0 40 IHAB Cc1ccc(C)c(NC(=O)Cc2nc(CN(C)Cc3nc4ccccc4c(=O)[nH]3)cs2)c1 13063519 RZMTYLBFEZIKBU-UHFFFAOYSA-N 447.564 3.810 0 40 IHAB Cc1cccc2cc(CN(Cc3nnnn3Cc3ccc(F)cc3)C3CCCC3)c(=O)[nH]c12 13065569 CHZKYDKIQAEALS-UHFFFAOYSA-N 446.530 3.955 0 40 IHAB COc1ccc(CN(C)C(=O)/C=C/c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 13126516 VAKXXVGFEBILTR-LFIBNONCSA-N 442.581 3.932 0 40 IHAB C[C@H](NC(=O)CN1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21)c1cc2ccccc2o1 13126856 YMNUIXYGHPHEHY-UUOWRZLLSA-N 447.535 3.890 0 40 IHAB CC[C@@H](C(=O)NCCSCc1ccco1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714548 XJWNPSHZJYOHEN-KRWDZBQOSA-N 430.979 3.527 0 40 IHAB C[C@H](NC(=O)CSc1n[nH]c(/C=C/c2ccc(F)cc2)n1)c1ccc2c(c1)OCCO2 14174646 YESSBXQAMNPJGJ-MDDUGHTDSA-N 440.500 3.855 0 40 IHAB COc1ccc(CCCN(C)S(=O)(=O)c2ccccc2Br)cc1OC 15358133 JCWDPUJLIQHBAR-UHFFFAOYSA-N 428.348 3.720 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(-c2ccc(/C=N/Nc3ccc(Cl)nn3)o2)cc1 15513822 UBJYYWAEQBURCU-FYJGNVAPSA-N 433.921 3.867 0 40 IHAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 15967967 IVFPMSTYJNTMRL-UHFFFAOYSA-N 440.503 3.713 0 40 IHAB COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccc(OC)cc2)cc1 18143207 YXULWJUBTNSZEX-VABKMULXSA-N 430.460 3.755 0 40 IHAB Cc1ccc(-c2nnc([C@H]3CCCN3C(=O)Cn3nc(C(F)(F)F)cc3C)o2)s1 19217694 FXMFCUJYUGYFEK-GFCCVEGCSA-N 425.436 3.994 0 40 IHAB COc1cc(NC(=O)c2cc(C3CCN(C(=O)C4CCCC4)CC3)no2)cc(OC)c1 19595170 RVTHDFTZPCRWBE-UHFFFAOYSA-N 427.501 3.840 0 40 IHAB CC(C)Nc1n[nH]c2nc(C3CCN(C(=O)[C@@H]4CCCO4)CC3)cc(C(F)(F)F)c12 19745037 WYDDTLPQVWQRCD-HNNXBMFYSA-N 425.455 3.682 0 40 IHAB COc1ccc(NC(=O)c2cnc(C)nc2CC2CCN(C(=O)c3ccccn3)CC2)cc1 19757150 DKCWQLQOQFVZTM-UHFFFAOYSA-N 445.523 3.536 0 40 IHAB CCOC(=O)[C@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@@H]1c1c[nH]c2ccccc12 19818568 XFKCUYFCTOASHV-FGZHOGPDSA-N 446.507 3.669 0 40 IHAB O=C(CN1c2ccccc2-c2ccccc2S1(=O)=O)NCCSCc1ccccc1 20063004 FUYKBMOGZMNHAT-UHFFFAOYSA-N 438.574 3.912 0 40 IHAB CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1ccc(SC)cc1 20802151 ZNFWSEIEMBPUIN-PMACEKPBSA-N 439.537 3.520 0 40 IHAB CS(=O)(=O)N1CCC(C(=O)N[C@@H](c2ccc3c(c2)CCCC3)c2cccs2)CC1 22137061 MYMHDYQECAMBCK-NRFANRHFSA-N 432.611 3.504 0 40 IHAB CCN(CC(=O)N[C@@H](C)c1cc(C)c(C)cc1C)S(=O)(=O)c1cc(C)ccc1OC 22536325 GSXKTKWIBCCEPE-IBGZPJMESA-N 432.586 3.817 0 40 IHAB O[C@@H](COc1ccc2c(c1)OCO2)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 22796726 FJBCZMFEXMPRHS-HSZRJFAPSA-N 446.547 3.562 0 40 IHAB C[C@@H](NC(=O)CN1CCN(Cc2nc3ccccc3s2)CC1)c1ccccc1Cl 22917231 PUEYBDCKSFEVPA-MRXNPFEDSA-N 428.989 3.945 0 40 IHAB CCc1cccc(CC)c1NS(=O)(=O)c1ccc(SC)c(C(=O)N2CCOCC2)c1 26117559 LUTZEVQHGUTAMC-UHFFFAOYSA-N 448.610 3.807 0 40 IHAB CSc1ccc(S(=O)(=O)NCCCOC(C)C)cc1C(=O)N1CCCCCC1 26120452 SKBDUFRHSYRTJC-UHFFFAOYSA-N 428.620 3.518 0 40 IHAB Cc1ccc(SCCNC(=O)CN2C(=O)[C@H](C)N(c3ccc(Cl)cc3)C2=O)cc1 26396597 GTJGMEGGYGZOBF-HNNXBMFYSA-N 431.945 3.714 0 40 IHAB Cc1cccc2c(=O)n(CCC(=O)N3CCN(Cc4ccc(C(C)C)cc4)CC3)cnc12 28322697 RLXLVIKOSPTFQL-UHFFFAOYSA-N 432.568 3.563 0 40 IHAB O=C(Cn1nnc(-c2cccc(Cl)c2)n1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 32719095 ODALIEIGEHYTST-SFHVURJKSA-N 439.903 3.519 0 40 IHAB NC(=O)Nc1ccc(NC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 32901867 UTMYWIGAANXYHX-UHFFFAOYSA-N 434.418 3.687 0 40 IHAB CCOC(=O)c1cnn(-c2ccc(NC(=O)c3cc(C)nc4c3c(C)nn4C)cc2)c1C 32922908 UMXGZPRXYCEPEU-UHFFFAOYSA-N 432.484 3.508 0 40 IHAB COC(=O)c1ccc(C)c(S(=O)(=O)NC[C@@H](C)c2nc3ccccc3n2C(F)F)c1 32927616 JRYITQCBIZZAON-CYBMUJFWSA-N 437.468 3.608 0 40 IHAB COc1ccc([C@@H](C)NC(=O)Cn2c(=O)nc(-c3ccccc3)c3ccccc32)cc1OC 33048960 CBTUXVSUOHZVHR-QGZVFWFLSA-N 443.503 3.958 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCCCCC1)Cc1ccccc1 33714726 LJEKKNHZIPLIKV-UHFFFAOYSA-N 430.570 3.597 0 40 IHAB O=C(Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1)[C@@H]1CC(=O)N(C2CC2)C1 36396745 CZFJFWJLWMZFBG-GFCCVEGCSA-N 425.432 3.582 0 40 IHAB COc1cc(OC)c(C(=O)Nc2ccc(I)cc2C)cc1OC 36684576 PTSRIIQIJHMORG-UHFFFAOYSA-N 427.238 3.878 0 40 IHAB COCc1nn2c(C)c(C(=O)N3CCN(c4ccccc4)CC3)cnc2c1-c1ccccc1 38829728 KIIVMKPFKQITQP-UHFFFAOYSA-N 441.535 3.814 0 40 IHAB CCN(CC)CCNC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 39484456 NUDAMDJQFYVFHF-UHFFFAOYSA-N 444.384 3.866 0 40 IHAB CN(C)[C@H](CNC(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)c1ccsc1 40120908 PATDIKZLVLUMPJ-FUHWJXTLSA-N 439.503 3.535 0 40 IHAB O=C(NC[C@H](c1cccs1)N1CCOCC1)Nc1ccc2c(c1)OC1(CCCC1)O2 48325062 BJOWECKVWFENQK-QGZVFWFLSA-N 429.542 3.985 0 40 IHAB CCc1ccc(NC(=O)Cn2nc3cc(C)nc(Nc4ccc(F)c(C)c4)n3c2=O)cc1 49410735 DGFBUHBRHOJHKD-UHFFFAOYSA-N 434.475 3.592 0 40 IHAB Cc1cccc(NC(=O)Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3ccccc32)c1C 51357870 RDRKGIKFAMHSNP-UHFFFAOYSA-N 431.467 3.606 0 40 IHAB C[C@H](N[C@@H](C)c1ccc(F)c(F)c1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 57381168 FVLLPSGGVACGMG-RYUDHWBXSA-N 445.919 3.546 0 40 IHAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3NC(=O)C(C)C)c(O)n2)cc1 64774576 XMIBVVHTEMRXAJ-UHFFFAOYSA-N 437.525 3.878 0 40 IHAB COC(=O)c1ccccc1NC(=O)Cn1cc(-c2ccccc2)c2ncn(C3CC3)c(=O)c21 65113432 QHKVZDZKGXKLOM-UHFFFAOYSA-N 442.475 3.625 0 40 IHAB COc1cc(OC)c(NC(=O)N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)cc1Cl 65566509 SMNAMPKCTASXSY-HUUCEWRRSA-N 425.957 3.710 0 40 IHAB CC(C)c1ccc(-c2cc3c4nn(Cc5ccc6c(c5)OCO6)c(=O)n4ccn3n2)cc1 67260569 FVSJPBQYDOXXLV-UHFFFAOYSA-N 427.464 3.711 0 40 IHAB CCOc1ccccc1CNC(=O)c1cn(-c2ccc(-c3nc(C4CC4)no3)cn2)cn1 71768268 DFYUENMRIOTQLW-UHFFFAOYSA-N 430.468 3.523 0 40 IHAB Cn1cc(C(=O)NC2CCCC2)c(CC2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)n1 72352145 AHHFVWDEBPJEHZ-UHFFFAOYSA-N 447.583 3.598 0 40 IHAB CN(C)C(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCCN(C(=O)Cc2ccccc2F)C1 72396022 KTTQSQRYBKKASV-SANMLTNESA-N 449.526 3.963 0 40 IHAB CCS(=O)(=O)[C@](Cl)(I)[C@@H](O)c1ccc(Cl)cc1Cl 96520179 MEDCRHZSDHPSSG-VHSXEESVSA-N 443.517 3.789 0 40 IHAB COc1ccccc1N1C(=O)C[C@H](c2c(C)nn(-c3nc4ccccc4s3)c2O)C1=O 100068888 IULITLOHKGRDSJ-CYBMUJFWSA-N 434.477 3.552 0 40 IHAB CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)sc2cc(Cl)ccc21 100821117 DIRVPGFKBOKYIU-XDOYNYLZSA-N 449.985 3.902 0 40 IHAB Cc1c(O[C@H](C)C(=O)NC[C@H]2CC[C@H](C(=O)O)CC2)ccc2c3c(c(=O)oc12)CCCC3 101240819 KKIRUQQQAGIULB-ZACQAIPSSA-N 441.524 3.755 0 40 IHAB CC(=O)C1=NN(c2cccc(Cl)c2C)[C@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]12 101406781 YBRGBAURKIDORR-PKOBYXMFSA-N 430.291 3.933 0 40 IHAB COc1ccccc1NC(=O)C(=O)[C@@H](C(=O)c1ccccc1F)[C@H]1OC(=O)c2ccccc21 102967258 BWLOABWQSKIOGH-OFNKIYASSA-N 447.418 3.753 0 40 IHAB Cc1cccc(N([C@@H](C)C(=O)NCCSCc2cccc(Cl)c2)S(C)(=O)=O)c1 220122433 NXQUUQBYVCXPLX-INIZCTEOSA-N 441.018 3.853 0 40 IHAB CC[C@H](C(=O)N1CCC(Cc2ccccc2)CC1)N(c1ccccc1F)S(C)(=O)=O 220592044 IIGBHUBUWFJCON-OAQYLSRUSA-N 432.561 3.852 0 40 IHAB CC[C@@H](NC(=O)c1cccc(N2CCCCS2(=O)=O)c1)c1ccc(OC)c(OC)c1 222562953 CUPUIWMOYBZBAL-LJQANCHMSA-N 432.542 3.515 0 40 IHAB Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(N3CCCCS3(=O)=O)cc1)CC(C)(C)O2 222590756 SKJGRCYMWDWPDA-HXUWFJFHSA-N 428.554 3.957 0 40 IHAB O=C(COc1ccc(S(=O)(=O)N2CCCCCC2)cc1)Nc1ccc2sncc2c1 222749586 VZDGYWSECYGXIX-UHFFFAOYSA-N 445.566 3.879 0 40 IHAB CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1cc(C)c(Br)c(C)c1 222905732 XNRLYEUJDRGJNS-KRWDZBQOSA-N 447.373 3.651 0 40 IHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN1C(=O)c2cccc3cccc1c23 223572236 METHPYPBDOYVES-GOSISDBHSA-N 429.520 3.662 0 40 IHAB OCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Br)cc1 223587555 UGSNQDRTWKMBRY-RBUKOAKNSA-N 443.370 3.600 0 40 IHAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(OC)cc1 224023642 IVBDDRTXENERGI-HSZRJFAPSA-N 426.557 3.970 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)NCCCOC3CCCC3)c2)cc1 224263698 CCMDMYBLWTWWRN-UHFFFAOYSA-N 430.570 3.899 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCCOc1ccc(Cl)cc1)c1ccc(Cl)cc1 224632117 GULJFJRQSQYVFF-UHFFFAOYSA-N 445.368 3.735 0 40 IHAB CCOC(=O)c1ccc(N(CC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1Cl 224816134 FXCRZHKTTJYTRB-UHFFFAOYSA-N 427.906 3.749 0 40 IHAB COC(=O)c1cc(NS(=O)(=O)c2cc(Br)ccc2OC)ccc1Cl 224921370 AVSUZUWGZZENBH-UHFFFAOYSA-N 434.695 3.699 0 40 IHAB CCCSc1nnc(NC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)s1 225040920 DSEKDJLZQPSTEK-UHFFFAOYSA-N 440.616 3.608 0 40 IHAB Cc1ccc(-c2nnc(NC(=O)c3cccc(N4CCCCS4(=O)=O)c3)s2)cc1 225412337 LFFSLEZGNJVSBL-UHFFFAOYSA-N 428.539 3.696 0 40 IHAB COc1ccc(Br)c(C(=O)NC2CCN(c3cc4c(nn3)CCCC4)CC2)c1 225792828 DGGMWHQADQTCTA-UHFFFAOYSA-N 445.361 3.525 0 40 IHAB Cc1nc(-c2cccc(NC(=O)COc3ccc(S(=O)(=O)N(C)C)cc3C)c2)cs1 226053375 XKQWWGQINZKGSH-UHFFFAOYSA-N 445.566 3.695 0 40 IHAB CCc1ccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)C(=O)c2ccccc2)cc1 226389705 NSUNHNZFLSVMNS-JEYZWYLSSA-N 426.516 3.906 0 40 IHAB Cc1nc([C@H]2CCN(C(=O)CCc3ccccc3)C2)nc(C)c1CC(=O)NC1CCCC1 257236756 HDQCHQWWNYWNDK-NRFANRHFSA-N 434.584 3.643 0 40 IHAB Cc1nnsc1C(=O)NC[C@H]1CC[C@H](c2c(C(=O)N(C)C)sc3ncccc32)CC1 257249479 JIOILJXYESHCRE-HDJSIYSDSA-N 443.598 3.862 0 40 IHAB C[C@@H]1CC[C@](C)(CNC(=O)CCCc2cn[nH]c2)C[C@H](c2ccccc2)[C@@H](O)[C@@H](O)C1 257337358 YSMHPEARMGENGJ-YJYCTBIZSA-N 427.589 3.571 0 40 IHAB CCOc1ccc(N([C@H](CC)C(=O)N[C@H](C)c2ccccc2OC)S(C)(=O)=O)cc1 260741090 FOTPKVUCNYESQP-OXQOHEQNSA-N 434.558 3.516 0 40 IHAB CCOc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)N(CC)CC)cc1Br 408602509 CATHBDOHVREPFX-MRXNPFEDSA-N 426.380 3.509 0 40 IHAB Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)c(C)c1 408666817 SSRISNAASUMTRS-WOJBJXKFSA-N 432.476 3.555 0 40 IHAB COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)c1 408910816 LJZFQPVCZVJNTM-UHFFFAOYSA-N 426.494 3.686 0 40 IHAB COc1ccccc1N1CCN(Cc2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2)CC1 409185797 QGGQMEKYRFUDDA-UHFFFAOYSA-N 445.519 3.998 0 40 IHAB CCC(=O)N1CC[C@H]2CCC[C@@H](CN(C3CCC3)Cc3ccccc31)N2C(=O)COC 643580503 YPUXKUQOUBFANW-YADHBBJMSA-N 427.589 3.584 0 40 IHAB COc1ccc2c(c1)O[C@](C)(CCC(=O)O)[C@H]1CC3(CO[C@H]21)CN(C(=O)CC1CCC1)C3 2037875261 MYHYISACDXYUIS-WUMKDDEVSA-N 443.540 3.808 0 40 IHAB CCn1c(CSc2nc(C)cc(C)n2)nnc1SCC(=O)c1ccc(OC)cc1 903442 GQQFOUIZGAHKDB-UHFFFAOYSA-N 429.571 3.981 0 40 IHAB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1O 1177966 MKICUHJJUNSXBN-MOSHPQCFSA-N 444.443 3.646 0 40 IHAB Cc1cccc(NC(=O)C[C@@H]2C(=O)N[C@H]3CCCC[C@H]3N2C(=O)c2ccccc2Cl)c1 2325444 ADMBSTHGQDPLIL-PWRODBHTSA-N 439.943 3.929 0 40 IHAB C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(F)cc3)o2)cc1 2456869 WHQABGONZMDYLC-CQSZACIVSA-N 444.488 3.691 0 40 IHAB COc1ccc(/C=C/C(=O)OCC(=O)c2cc(C)n(C[C@H]3CCCO3)c2C)cc1OC 3314013 LTISTSVWDJZFKG-LHUXKHBRSA-N 427.497 3.740 0 40 IHAB COc1cc2c(c(OC[C@@H](O)CNC(C)C)c1)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2 8917697 LMFGSZBVOQSYSJ-MNVLBWLKSA-N 447.572 3.915 0 40 IHAB CC(C)CSc1nc2c(c(=O)n(Cc3ccccc3)c(=O)n2C)n1Cc1ccccc1 8934504 WPGNFJLMGABLPZ-UHFFFAOYSA-N 434.565 3.741 0 40 IHAB biogenic Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCC2=CCCCC2)cc1 9094836 LBZCPWBIWWSOMQ-QHCPKHFHSA-N 426.582 3.891 0 40 IHAB CCCCN1C(=O)C[C@@H](C(=O)Nc2cccc(C(=O)NC3CC3)c2)[C@@H]1c1ccc(OC)cc1 9217510 ZJRZDRBOXOMUOS-VWNXMTODSA-N 449.551 3.916 0 40 IHAB C[C@H](C1CC1)N(CC(F)(F)F)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 9222875 WEBYSRLDRHJCFZ-WBMJQRKESA-N 438.899 3.683 0 40 IHAB COc1ccc([C@H]2Nn3c(nnc3-c3ccccc3)S[C@H]2C(=O)N2CCCCC2)cc1 9236506 KRRJQOYLQRUYDF-WOJBJXKFSA-N 435.553 3.725 0 40 IHAB Cc1ccc(-n2c(SCc3ccc(-n4cccn4)cc3)nnc2N2CCOCC2)cc1 9339165 KPCSDAQIDISVMM-UHFFFAOYSA-N 432.553 3.890 0 40 IHAB CNS(=O)(=O)c1cc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)ccc1C 9642847 ZNBHYTVLDDAHQW-UHFFFAOYSA-N 432.505 3.766 0 40 IHAB O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1nc(-c2ccc(F)cc2)no1 9765030 DUGZMJWTHUSXJH-UHFFFAOYSA-N 428.423 3.871 0 40 IHAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CCc1nc(-c2ccc(F)cc2)no1 9869633 WILASVNWAQWWPZ-UHFFFAOYSA-N 433.487 3.986 0 40 IHAB Cn1cc(C(=O)N2CCc3[nH]c4ccccc4c3C2)c(-c2ccc3c(c2)OCCCO3)n1 9902379 RGRQUEISQWASAY-UHFFFAOYSA-N 428.492 3.928 0 40 IHAB CCOC(=O)c1cc(NC(=O)COc2ccc(Cl)c(C)c2)ccc1N1CCOCC1 9907787 MNHMVNNIRMZOQZ-UHFFFAOYSA-N 432.904 3.679 0 40 IHAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)cc1 10864215 XQTNUFJCGIVCRL-AWEZNQCLSA-N 440.459 3.666 0 40 IHAB CC(=O)N1CCc2cc(C(=O)[C@@H](C)Sc3nncn3CCc3cccs3)ccc21 11107541 JLUFMYZKKDSSHH-CQSZACIVSA-N 426.567 3.855 0 40 IHAB Cc1ccc(-c2cc(C(=O)OCc3cc(=O)n4ccsc4n3)c3c(C)noc3n2)s1 11959065 FXDBIVMBXJTWOR-UHFFFAOYSA-N 438.490 3.995 0 40 IHAB CC(C)(C)c1cc(C(F)(F)F)n2nc(C3CCN(C(=O)c4cncnc4)CC3)cc2n1 12160330 STKHDNCMVSOXEZ-UHFFFAOYSA-N 432.450 3.855 0 40 IHAB O=S(=O)(Nc1cccc(-c2ccc3nnc(-c4ccncc4)n3n2)c1)c1cccs1 12237574 WLRUOAGPMRBFLG-UHFFFAOYSA-N 434.506 3.716 0 40 IHAB CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1cn(C)nc1OC 12422650 LDCZOASYXAYDNW-UHFFFAOYSA-N 441.344 3.745 0 40 IHAB CCOC(=O)c1c(NC(=O)CN2CCSc3ccccc32)sc(C(=O)OC)c1C 12608826 GFDPBDPCHJNTOU-UHFFFAOYSA-N 434.539 3.571 0 40 IHAB O=C1[C@@H]2[C@@H](c3ccc(O)cc3)c3sc(=O)[nH]c3S[C@H]2C(=O)N1c1ccc(Cl)cc1 13016622 SSAHOWUXRDKWJH-IIAWOOMASA-N 444.921 3.591 0 40 IHAB COc1ccc(OC)c(NC(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccc(Cl)cc34)C2)c1 13944759 IGDIUGHACSWLCK-OAHLLOKOSA-N 441.915 3.868 0 40 IHAB CC(C)(C)c1ccc(OC[C@H](O)CN2C(=O)N[C@@]3(CCCc4sccc43)C2=O)cc1 14167102 AIFCLJHNHTWDOG-WAIKUNEKSA-N 428.554 3.569 0 40 IHAB Cc1cc(C(F)(F)F)n2nc([C@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)cc2n1 19116946 ZNVCIGDDBCBRGY-OAHLLOKOSA-N 428.411 3.721 0 40 IHAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCCN3C(=O)c3ccn(C)c(=O)c3)cc2N1 19520628 AVLBUZQJKMFJBX-DJIMGWMZSA-N 437.466 3.647 0 40 IHAB CCN(CC)C(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)[C@H]2CCCO2)C1 19526175 VPLJGNVLHMKKIV-BVAGGSTKSA-N 435.568 3.557 0 40 IHAB COc1ccc(CC(=O)N2CCCC[C@@H]2c2nc(-c3ccsc3)cc(=O)[nH]2)cc1OC 19560476 XJXHNTHWWQLJQG-GOSISDBHSA-N 439.537 3.812 0 40 IHAB COc1ccccc1CC(=O)N1CCNC(=O)[C@@H](Cc2cccc(-c3ccc(F)cc3)c2)C1 19569661 PCRXSXPCJRFPBA-QHCPKHFHSA-N 446.522 3.861 0 40 IHAB Cc1cc(C)n(-c2cccc(C(=O)N3C[C@@H](c4cccnc4)[C@@]4(CCCCC(=O)N4)C3)c2)n1 19574729 ITLQXDDKSMHDFW-JYFHCDHNSA-N 443.551 3.553 0 40 IHAB Cc1nc2ccc(C(=O)N3CCC(c4ccc(C(=O)NC5CCCC5)cn4)CC3)cc2[nH]1 19705813 DNCGCOWTABTKMG-UHFFFAOYSA-N 431.540 3.959 0 40 IHAB Cc1ccc(CN2C(=O)CCc3c(C)nc(C4CCN(Cc5ncc[nH]5)CC4)nc32)cc1 19739265 GTJQBUXCISSRME-UHFFFAOYSA-N 430.556 3.676 0 40 IHAB Cc1nc(C2CCN(C(=O)COc3ccccc3)CC2)nc2c1CCC(=O)N2CC(C)C 19740125 YQRGOBORBZNCQB-UHFFFAOYSA-N 436.556 3.505 0 40 IHAB O=C(Cn1cc(NC(=O)c2ccc(F)cc2)cn1)Nc1cc(F)ccc1N1CCCC1 19749843 MTSKJIPWVYESRK-UHFFFAOYSA-N 425.439 3.653 0 40 IHAB CNc1cc(CN(C)Cc2c(C)cc(OC)c(C)c2C)nc([C@H]2CCCN2C(C)=O)n1 19759986 ZMHWFUAWDDRSSZ-OAQYLSRUSA-N 425.577 3.768 0 40 IHAB CCOC(=O)c1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)ccc1Cl 19934433 YRZQTMPNWCPYIG-UHFFFAOYSA-N 431.297 3.794 0 40 IHAB O=C(NCc1ccccc1-n1ccnc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 20104653 PJGMZCPFLIMDKS-UHFFFAOYSA-N 432.505 3.603 0 40 IHAB C[C@@H](NC(=O)CN1C(=O)[C@@H](C)N(c2ccc(F)cc2)C1=O)c1ccc(Br)cc1 21268534 SILRDHYVZKQFAU-CHWSQXEVSA-N 448.292 3.623 0 40 IHAB O=C(CN(c1ccccc1F)S(=O)(=O)c1cccs1)NCCCc1ccccc1 22394341 CVORHWUYHDFYGQ-UHFFFAOYSA-N 432.542 3.832 0 40 IHAB Cc1ccc(NC(=O)CN2CCN(CCC(=O)Nc3cc(Cl)ccc3Cl)CC2)cc1 22930918 HWDLVQHBXBJQGE-UHFFFAOYSA-N 449.382 3.887 0 40 IHAB COc1ccc(OCCN2CCN(Cc3nc(-c4ccccc4Cl)no3)CC2)cc1 22945887 ZWLVMVSLCCYKAJ-UHFFFAOYSA-N 428.920 3.595 0 40 IHAB O=C(c1ccccc1NS(=O)(=O)c1cccs1)N1CCN(Cc2ccccc2)CC1 24755757 WAPAQGJQEMGDNI-UHFFFAOYSA-N 441.578 3.507 0 40 IHAB CCCn1ccnc1SCC1=C(C(=O)OC)[C@H](c2ccccc2)NC(=O)N1C1CC1 25460356 DHLLBONLOMZJGC-IBGZPJMESA-N 426.542 3.741 0 40 IHAB O=C(NC1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)c1ccc(F)cc1 28052532 WQAWOAKCHJWZOY-UHFFFAOYSA-N 431.316 3.716 0 40 IHAB CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 32674832 DWTGYUIJOCFICN-VOJVFWIESA-N 437.628 3.734 0 40 IHAB O=C(Nc1ccc2oc(C3CC3)nc2c1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 32818726 NVUZRWYLOQGFMG-OAHLLOKOSA-N 443.500 3.884 0 40 IHAB Cc1cccc(-c2noc(Cn3cnc4c(cnn4-c4ccc(C)c(Cl)c4)c3=O)n2)c1 33293070 VWWMSIHRJZQZAL-UHFFFAOYSA-N 432.871 3.951 0 40 IHAB COCCN(Cc1cc2cc3c(cc2nc1Cl)OCO3)C(=O)c1ccccc1OC 35292109 KDUOOZTYWJBPEK-UHFFFAOYSA-N 428.872 3.914 0 40 IHAB Cc1n[nH]c(=O)c2c(NC(=O)CN3CCc4sccc4[C@H]3c3cccs3)oc(C)c12 36380059 PTHFDCZYHYFRFA-IBGZPJMESA-N 440.550 3.842 0 40 IHAB Cc1ccc(SCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)cc1 36391523 QXGNOSFNYFWMGG-KRWDZBQOSA-N 438.640 3.674 0 40 IHAB CCn1c(Cc2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1cccc(C)c1 39763119 YDLDXARREQNKJK-UHFFFAOYSA-N 426.542 3.945 0 40 IHAB CCOC(=O)N1CCC(NC(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)CC1 40144699 DEUWJCWCCQUFSI-UHFFFAOYSA-N 429.565 3.969 0 40 IHAB COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)Oc3ccccc32)cc1 41158175 SZOILHLSZDUPLU-MRXNPFEDSA-N 438.505 3.924 0 40 IHAB CC(=O)Nc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2CC(C)C)cc1 57426291 JVDJKOGPPVSNGA-UHFFFAOYSA-N 430.555 3.803 0 40 IHAB Cc1cccc(NC(=O)[C@@H]2CCCN(c3ccc(S(=O)(=O)C(F)(F)F)cc3)C2)n1 58406637 UQTSMGBNLCGLMP-CQSZACIVSA-N 427.448 3.539 0 40 IHAB CN(C(=O)OC(C)(C)C)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 72203289 FKLWZVWOFYZBMR-NSHDSACASA-N 439.397 3.531 0 40 IHAB O=C(NC1CC1)c1ccc(CN(Cc2ccco2)C(=O)c2ccc(NC3CC3)nc2)cc1 72309909 PNPSQJMCYGCJQS-UHFFFAOYSA-N 430.508 3.984 0 40 IHAB O=C(CCn1cccn1)N1CC[C@@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1 72371519 RRFYKFLJMJJKNO-MRXNPFEDSA-N 447.461 3.653 0 40 IHAB O=C(CCc1ccc(C(F)(F)F)cc1)N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1 96104429 YHUZRSQPPRUNOF-UHFFFAOYSA-N 431.863 3.976 0 40 IHAB COc1cccc(OC)c1CN[C@@H](c1cc(O)n2nc(C3CCOCC3)cc2n1)C(C)C 100730061 KVVNFUYAAZRURW-XMMPIXPASA-N 440.544 3.833 0 40 IHAB Cc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3N2[C@H](C)C(=O)NC2CCCC2)c(C)c1 102423280 RYBNBHFZBHMLIX-WZONZLPQSA-N 448.567 3.907 0 40 IHAB N=C1C(c2nc(-c3ccc(Cl)cc3)cs2)=C(O)CN1c1ccc(S(N)(=O)=O)cc1 102719282 JOOIVHWZORYKCM-UHFFFAOYSA-N 446.941 3.877 0 40 IHAB Cc1cc(C)cc(N(CCCC(=O)NCc2ccc(OC(C)C)cc2)S(C)(=O)=O)c1 113968460 JPROVBUYZBUDID-UHFFFAOYSA-N 432.586 3.953 0 40 IHAB COc1ccc(OC)c([C@H](C)NC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c1 222702011 SOXIAPIPZRVAQN-INIZCTEOSA-N 448.585 3.645 0 40 IHAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccc2ccccc2c1 222818983 IPGBAZPMPXQLKO-JOCHJYFZSA-N 426.538 3.709 0 40 IHAB CCOc1ccc(CCC(=O)N(Cc2ccccc2)[C@@H](CC)C(=O)NC)cc1OCC 222957476 FWBQTNYPTFNFSZ-NRFANRHFSA-N 426.557 3.970 0 40 IHAB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(F)c1 223731439 GAFOMYVCDSFINH-FGZHOGPDSA-N 438.528 3.937 0 40 IHAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1F)C(=O)CCc1ccc2c(c1)OCO2 224700150 NHHOUXGLIPDWLL-QGZVFWFLSA-N 440.515 3.963 0 40 IHAB CCN(CC(=O)N1CCC(Cc2ccccc2)CC1)S(=O)(=O)c1cc(C)ccc1C 225934440 LBLNENXASNSHPP-UHFFFAOYSA-N 428.598 3.795 0 40 IHAB C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@H](CC[C@H]3[C@H]1C[C@@H]1[C@@H]3CC(=O)[C@H]3C[C@@H](O)CC[C@@]31C)[C@]2(C)O 247643289 IQDIERHFZVCNRZ-ZULGVJILSA-N 429.645 3.886 0 40 IHAB CC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N(C)C(=O)c2cccc3cccnc23)CC1 257233291 GOQLMGMZGZNBLS-FKCDAAJZSA-N 445.563 3.684 0 40 IHAB CCn1nc(C(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(=O)N3CCCCC3)C2)cc1C 257289490 PYWQGAOZDHPLME-REWPJTCUSA-N 438.572 3.524 0 40 IHAB O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1CN(Cc3ccc(Cl)cc3)C[C@H]1C2 306129498 IFAKMTXMZBOARO-HZPDHXFCSA-N 425.895 3.627 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CSc2n[nH]c(-c3ccccc3OCC)n2)cc1 408527085 KILSBFRFDAHKJX-UHFFFAOYSA-N 426.498 3.778 0 40 IHAB CCc1ccccc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 408659763 MXGGTANOFHKKSG-ZRGHVXQMSA-N 446.503 3.580 0 40 IHAB CCc1cccc(CC)c1N1C[C@H](C(=O)OCC(=O)Nc2cccc(C(C)=O)c2)CC1=O 408660233 NBDYTXFMPYVERR-HXUWFJFHSA-N 436.508 3.549 0 40 IHAB COc1ccc(NC(=O)COC(=O)CCC(=O)Nc2cccc3ccccc23)c(OC)c1 408661195 DVNDNAXKBWKXPU-UHFFFAOYSA-N 436.464 3.758 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)cc1NC(=O)CC 408699063 UJUFIBMVRIXSST-UHFFFAOYSA-N 445.585 3.562 0 40 IHAB Cc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccc(F)cc3)[C@H]2c2ccc(Cl)cc2)cc1 409062167 OVSWFDDZCNFDSA-VTPLCQIWSA-O 436.894 3.804 0 40 IHAB CCn1c(SCC(=O)Nc2ncc(C)s2)nnc1[C@H](C)NC(=O)c1cccc(C)c1 409144981 OVKKCVPGHNSVCA-AWEZNQCLSA-N 444.586 3.593 0 40 IHAB Cc1cccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3cccc(F)c3C)n2C)c1 409148802 RYHZSZKBFZWPPV-OAHLLOKOSA-N 441.532 3.793 0 40 IHAB CCOc1cc(/C=C2/NC(=O)N(C)C2=O)cc(Br)c1OCc1ccccc1 409192188 BGWHZYZXDGTYBL-MHWRWJLKSA-N 431.286 3.949 0 40 IHAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)NCC(C)C)C2=O)ccc1OCC(C)C 409208386 BHWQXEFJHDYANK-GRSHGNNSSA-N 434.558 3.929 0 40 IHAB O=C(CN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O)Nc1ccc(F)c(Cl)c1 409226728 SAAXYMGAZFSINO-OMCISZLKSA-N 434.832 3.883 0 40 IHAB COC(=O)c1cc(NC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)ccc1Cl 409412580 XXYPMKYXJCCYQH-LLVKDONJSA-N 445.324 3.573 0 40 IHAB O=C(CCCc1ccc2nc(O)[nH]c2c1)N1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 539874162 LLZAGIRFNNQTKG-QFBILLFUSA-N 433.430 3.945 0 40 IHAB O=C(NCCc1ccccc1)c1ccc(NC(=O)N2CC[C@@H](n3cc(Cl)cn3)C2)cc1 576388601 SERKSHKTGPTFGJ-OAQYLSRUSA-N 437.931 3.988 0 40 IHAB Cc1cc2n(n1)C1(CCN(Cc3ccc(OC(F)F)cc3)CC1)CC(=O)N2CC1CC1 1772596454 IPSQRAQZZLDLBI-UHFFFAOYSA-N 430.499 3.931 0 40 IHAB Cn1cc(-c2noc(-c3cccc(Cl)c3)n2)c(=O)c2cc(F)c(N3CCOCC3)cc21 1775966962 XAUPMUNSROMOBS-UHFFFAOYSA-N 440.862 3.885 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N1[C@H]2CC[C@H]1CC(n1cc(Br)cn1)C2 1775974827 SGXUIWPSDAGTGE-GJZGRUSLSA-N 440.363 3.519 0 40 IHAB Cc1cccc(Nc2nnc(-c3ccc(C)c(S(=O)(=O)NCCO)c3)c3ccccc23)c1 2299324 OWBAVEVZISICKR-UHFFFAOYSA-N 448.548 3.928 0 40 IHAB Cc1c(Cl)c(C(F)F)nn1CC(=O)Nn1c(C)nc2sc3c(c2c1=O)CCCC3 2779215 SJBNYMXIZAISDO-UHFFFAOYSA-N 441.891 3.511 0 40 IHAB COC[C@@H](C)n1c(SCC(=O)Nc2cc(Cl)ccc2OC)nc2ccccc2c1=O 3403478 MBWYCTGKBRNFJE-CYBMUJFWSA-N 447.944 3.997 0 40 IHAB CCn1c(CC(=O)Nc2ccccc2C)nnc1SCC(=O)N[C@@H]1CCCC[C@H]1C 4816160 HDEGFTGIXYLFDK-SJLPKXTDSA-N 429.590 3.575 0 40 IHAB CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2OC)cc(Cl)c1O 6600360 ZQTUCQRSOJZRKX-SFHVURJKSA-N 431.876 3.720 0 40 IHAB CCOC(=O)C1=C(C)N=c2s/c(=C\C=C\c3ccccc3)c(=O)n2[C@@H]1c1cccs1 8779640 TVELGFXONBTXQH-PETXIRHFSA-N 436.558 3.525 0 40 IHAB Cc1sc2ncn(CC(=O)c3ccc4c(c3)N(C)C(=O)CO4)c(=O)c2c1-c1ccccc1 9043976 USFFEWHBBVLFEB-UHFFFAOYSA-N 445.500 3.672 0 40 IHAB COCCCNC(=O)c1ccccc1NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1 9063355 DFJWLDALTAAZOK-UHFFFAOYSA-N 443.975 3.957 0 40 IHAB O=S(=O)(c1ccc(O)c(Nc2ncnc3sc4c(c23)CCCC4)c1)N1CCCC1 9120593 KOYJVTNAAWFCFB-UHFFFAOYSA-N 430.555 3.804 0 40 IHAB Cc1ccc(S(=O)(=O)NCc2nnc3c4ccccc4c(-c4ccccc4)nn23)cc1 9448449 WNPTXPVUJQHDGH-UHFFFAOYSA-N 429.505 3.731 0 40 IHAB COc1cccc(N2C[C@@H](C(=O)Nc3nnc(SCc4ccccc4)s3)CC2=O)c1 9517948 LEMSRYJEAQEVPL-HNNXBMFYSA-N 440.550 3.831 0 40 IHAB COc1cc(OC)cc(C(=O)N[C@H](C(=O)OCc2nc3ccccc3s2)C(C)C)c1 9561809 QDSYMRQELIWOMR-FQEVSTJZSA-N 428.510 3.811 0 40 IHAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CCc3ccccc3F)cc2)n1 9672339 FARWLDDGXMLMQL-UHFFFAOYSA-N 428.489 3.605 0 40 IHAB Cc1cc(C2=NN=C(NCc3ccc4c(c3)OCO4)SC2)c(C)n1C[C@@H]1CCCO1 9715876 MQOYOIRTUFJJRR-KRWDZBQOSA-N 426.542 3.609 0 40 IHAB CC[C@H](C)n1c(C)cn2c3c(=O)n(Cc4c(Cl)cccc4Cl)c(=O)n(C)c3nc12 10103916 DNKBKXRBRPEYRY-NSHDSACASA-N 434.327 3.784 0 40 IHAB Cc1nc(-c2ccc(CCNC(=O)CCn3cnc4sccc4c3=O)s2)cs1 10202857 MEJXJFNIUPWOLH-UHFFFAOYSA-N 430.580 3.700 0 40 IHAB COC(=O)c1cccc(NC(=O)[C@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)c1C 10359674 AOTKVHKINLIODQ-AWEZNQCLSA-N 438.933 3.537 0 40 IHAB COc1cc(C(=O)NCCn2c(C)nc3ccccc32)ccc1OCc1c(C)noc1C 10737127 KQFOWVRLDNOKRX-UHFFFAOYSA-N 434.496 3.967 0 40 IHAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)CC(=O)Nc1c(Cl)cccc1Cl 11068782 IVISGKLXRRGQBI-ZDUSSCGKSA-N 449.338 3.628 0 40 IHAB CCCn1c(N2CCN(C(=O)c3cccs3)CC2)nc2sc3c(c2c1=O)CCCC3 12409567 LVCWKSKODFRTKM-UHFFFAOYSA-N 442.610 3.771 0 40 IHAB O=C(CSc1nc(-c2ccccc2Br)n[nH]1)Nc1ccc2c(c1)OCCO2 12537630 VSIBLUMROKGVCS-UHFFFAOYSA-N 447.314 3.736 0 40 IHAB C[C@H](SCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C(=O)N[C@H](C)c1ccccn1 12565479 SFSDHRHDDYGDJP-OLZOCXBDSA-N 428.583 3.758 0 40 IHAB COc1ccc(N(C(=O)c2csnn2)[C@H](C(=O)NC(C)(C)C)c2ccc(F)cc2)cc1 12637805 ZJEYXUKTBHEEGN-IBGZPJMESA-N 442.516 3.989 0 40 IHAB CC[C@@H]1c2ccsc2CCN1C(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 12767419 JZIOPSVDSNZGAS-LJQANCHMSA-N 436.574 3.824 0 40 IHAB CCN(CC(=O)Nc1ccccc1OC)C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O 12797170 JMCQUAWJSMUOQT-SFHVURJKSA-N 447.944 3.639 0 40 IHAB COc1ccc(CCN2C(=O)CC(=O)N=C2SCc2ccc(Cl)cc2)cc1OC 12949276 WPIXKIWIDFNRSB-UHFFFAOYSA-N 432.929 3.948 0 40 IHAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 13004150 MKGSAGVKUAVVNO-IBGZPJMESA-N 443.975 3.815 0 40 IHAB CCOC(=O)c1cc(NC(=O)CN[C@H](C)c2ccccc2Cl)cc(C(=O)OCC)c1 13039922 WCLFOUGZLAYJDC-CQSZACIVSA-N 432.904 3.983 0 40 IHAB Cc1ccc(-c2ccsc2C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 13164568 SGMANIULPDUZSL-UHFFFAOYSA-N 442.562 3.997 0 40 IHAB Cc1c(Cl)cccc1NC(=O)CSC(=S)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 13572328 JAKZODKKELKSIE-CABCVRRESA-N 448.013 3.886 0 40 IHAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)c1C 13668821 MYVLLORADSIEJQ-QGZVFWFLSA-N 432.542 3.582 0 40 IHAB Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1CCC(=O)NCCN1CCCC1 13945778 NZUKYKIXPWAZRO-RUZDIDTESA-N 430.552 3.624 0 40 IHAB Cn1ccnc1[C@@H](NC(=O)CCC(=O)c1ccc2c(c1)OCCCO2)c1ccc(F)cc1 14404775 AXGABAZLMSIZQD-QHCPKHFHSA-N 437.471 3.589 0 40 IHAB COc1ccccc1CNC(=O)[C@@H](C)OC(=O)c1c(C)nn(Cc2ccccc2)c1Cl 16822428 LCFLZAIGRDMCRO-MRXNPFEDSA-N 441.915 3.764 0 40 IHAB COc1ccc(C(NC(=O)CN2CCN(c3ccccc3)CC2)c2ccc(OC)cc2)cc1 17283304 AIUROYPPHVUYDM-UHFFFAOYSA-N 445.563 3.732 0 40 IHAB COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]32)cc1 18082419 OHNHTPFJJGKPLR-JZXOWHBKSA-N 438.530 3.549 0 40 IHAB Cc1ccc(CN2CCC[C@H]2c2c(-c3ccnc(N4CCCC4)n3)cnn2CCO)cc1C 19213975 TYVZSVMCQIQEAD-DEOSSOPVSA-N 446.599 3.887 0 40 IHAB C[C@@H](C(=O)N1CCC[C@@H]1c1nn(C)cc1-c1ccnc(N2CCCC2)n1)c1ccccc1 19459227 FUHWDVUZORAYFX-XMSQKQJNSA-N 430.556 3.945 0 40 IHAB CC1CCN(CC(=O)N[C@H](Cc2cc(O)nc(-c3ccncc3)n2)c2ccc(F)cc2)CC1 19496880 VZFCHFPMDJGMKX-JOCHJYFZSA-N 449.530 3.515 0 40 IHAB Cc1cc(C)cc(O[C@@H](C)C(=O)N2CCC[C@@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)c1 19569695 FBAAOHBZMNOHEU-OGWHTMIXSA-N 433.503 3.591 0 40 IHAB COc1cc(CN2CCC[C@H](c3[nH]ncc3-c3ccnc(N4CCCC4)n3)C2)cc(OC)c1 19595100 UTRJYKDWDFDSKO-IBGZPJMESA-N 448.571 3.864 0 40 IHAB Cc1nc([C@@H]2CCCN(C3CCOCC3)C2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 19741345 NCISMQHFZDIXAY-LJQANCHMSA-N 438.547 3.762 0 40 IHAB COc1ccc([C@H](CC(=O)N2CCCCCC2)N(C)S(=O)(=O)c2ccccc2)cc1 19936143 RATSXENUGRYHCG-QFIPXVFZSA-N 430.570 3.850 0 40 IHAB COc1ccc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3)n2C)cc1OC 22007697 CCGNSANPTFAMFH-UHFFFAOYSA-N 448.932 3.796 0 40 IHAB CCN(CC)CCCn1c(SCc2nc3ccccc3c(=O)[nH]2)nc2ccccc2c1=O 22280760 ACNAGXLHUAKDLC-UHFFFAOYSA-N 449.580 3.657 0 40 IHAB Cc1[nH]c(C(=O)Nc2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)c(C)c1C(=O)OC(C)C 22301151 GBJYBKTUHXJQLO-CHWSQXEVSA-N 434.562 3.515 0 40 IHAB CCc1ccccc1NC(=O)CN1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 22849062 XUOZPXWBJMDFLB-UHFFFAOYSA-N 439.947 3.709 0 40 IHAB O=C(CSc1ccc(F)cc1)N(CCN1CCOCC1)c1nc2ccccc2s1 22998177 RAZLZJMOCYKRGM-UHFFFAOYSA-N 431.558 3.893 0 40 IHAB CC(C)C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O)c1ccccc1 23290705 RTTYAGJXRBDKLW-BKMJKUGQSA-N 433.552 3.846 0 40 IHAB CCCS(=O)(=O)c1ncc(Br)c(C(=O)Nc2cccc3ccccc23)n1 27794743 IMWNXCBMRPSUOE-UHFFFAOYSA-N 434.315 3.828 0 40 IHAB Cn1ccc(S(=O)(=O)N2CCC(C(=O)N(Cc3ccccc3)c3ccccc3)CC2)c1 28000758 XGVGZOICARRJCI-UHFFFAOYSA-N 437.565 3.659 0 40 IHAB CN(C)C(=O)COc1ccc(NC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)cc1 29231077 BMGSZFUAURIIIV-HSZRJFAPSA-N 444.487 3.860 0 40 IHAB Cc1ccc(C(=O)Nc2ccccc2C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NS(C)(=O)=O 29418171 MROHWGGXHUKHRO-HOTGVXAUSA-N 443.569 3.737 0 40 IHAB O=C(NCCSCc1ccco1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 31252518 VTRIMOJLKGFOSM-UHFFFAOYSA-N 442.990 3.771 0 40 IHAB COc1ccc(OC)c(NC(=O)c2ccc3c(=O)n(-c4ccccc4OC)cnc3c2)c1 32087433 QHXZWQGMOGYHDB-UHFFFAOYSA-N 431.448 3.664 0 40 IHAB COc1ccc(C)cc1[C@H](C)NC(=O)c1sc(-c2c(C)c(C)nn(C)c2=O)nc1C 32714911 CIWYJPFFQLRGAN-AWEZNQCLSA-N 426.542 3.637 0 40 IHAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NCCc1cc(Cl)c2c(c1)OCCO2 32854771 RXQXFKKVFKDTTF-HXUWFJFHSA-N 426.900 3.734 0 40 IHAB CSCC[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)Nc1ccc(C(C)C)cc1 35877034 MKQCTEQDNIYCNA-YADHBBJMSA-N 425.598 3.701 0 40 IHAB CCN(CC)CCOc1ccccc1NC(=O)N1CCN(c2ccccc2OC)CC1 40104524 CGBCVZZQSQDJHM-UHFFFAOYSA-N 426.561 3.770 0 40 IHAB CC[C@@H](C)NS(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)N[C@H](C)CC)cc2)cc1 41096899 FCZSFJMHFZYKDX-HZPDHXFCSA-N 440.587 3.633 0 40 IHAB COc1ccc(-c2cc3c4nnc(CCC(=O)NCc5ccc(C)cc5)n4ccn3n2)cc1 49421728 TYKZQYNDXMCWNR-UHFFFAOYSA-N 440.507 3.610 0 40 IHAB CCCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(Br)cc2)c1=O 51357708 GTIKJNFYJOTJFW-UHFFFAOYSA-N 444.329 3.755 0 40 IHAB COC(=O)c1ccc(N2CCOCC2)c(NC(=S)NC(=O)c2ccc(C(C)C)cc2)c1 57327952 ZQFZIZWXLPGLAX-UHFFFAOYSA-N 441.553 3.560 0 40 IHAB Cc1cc(C)n(-c2ccc(N3CCC(C(=O)Nc4cnc5ccccc5c4)CC3)nn2)n1 62163536 XRWZRLRZGCPZIU-UHFFFAOYSA-N 427.512 3.682 0 40 IHAB Cc1c(-c2nc(-c3ccncc3)no2)oc2ccc(S(=O)(=O)N3CCSCC3)cc12 71761920 ZXCMWAYRPGPMQW-UHFFFAOYSA-N 442.522 3.591 0 40 IHAB O=C1CS[C@@H](c2cc(Cl)c3c(c2)OCO3)c2c(O)nn(C3CCSCC3)c2N1 96118339 IEZWZHNIAUIPHV-INIZCTEOSA-N 439.946 3.814 0 40 IHAB COc1ccc(CN2C[C@H]3CN(Cc4ccc(OC(F)(F)F)cc4)CCN3C2=O)cc1 96269119 JESOYVHYZRHHIM-GOSISDBHSA-N 435.446 3.716 0 40 IHAB biogenic,in-vitro CNC(=O)c1cc([C@H]2CC[C@H](CNC(=O)CCCn3ccnc3C)CC2)nc2ccccc12 100658010 YOVHPJQDCQFVPK-BGYRXZFFSA-N 447.583 3.970 0 40 IHAB C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 102260285 PHDMAZLTMAJHEY-RWTJRTBCSA-N 438.593 3.988 0 40 IHAB CC1(C)C[C@H](NC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)c2ccccc2O1 219966297 UMCIHCHCXOPUSD-FQEVSTJZSA-N 428.554 3.644 0 40 IHAB CC[C@@H](C(=O)NCCCc1ccc(Cl)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O 220652725 JVUMVPSOCLSECK-FQEVSTJZSA-N 438.977 3.642 0 40 IHAB CCOc1ccccc1CNC(=O)[C@H](CC)N(c1cc(Cl)ccc1C)S(C)(=O)=O 220722428 PJSYVAJCHQTNPV-SFHVURJKSA-N 438.977 3.908 0 40 IHAB CCCOc1ccc(N(CC(=O)NCc2ccc3ccccc3c2)S(C)(=O)=O)cc1 222791114 RQIJHHZITZMWQY-UHFFFAOYSA-N 426.538 3.711 0 40 IHAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 223024440 IZVKWMWJCNFDIR-FQEVSTJZSA-N 436.961 3.645 0 40 IHAB CC(C)CNS(=O)(=O)Cc1cccc(NC(=O)c2ccc3c(c2)C(C)(C)CC(=O)N3)c1 223234561 MMVZJUJGHQHAFE-UHFFFAOYSA-N 443.569 3.634 0 40 IHAB COc1ccc(OC)c([C@@H](C)NC(=O)c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)c1 223287370 QTGFTOOKNVEFTO-QGZVFWFLSA-N 446.569 3.615 0 40 IHAB CCc1ccc(N(CCCC(=O)Nc2nnc(SC(C)C)s2)S(C)(=O)=O)cc1 223339619 BFEOCRBZXXMQHE-UHFFFAOYSA-N 442.632 3.786 0 40 IHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1cc(C)c(Br)c(C)c1 223534723 DEGNLJQVJBZNDF-QGZVFWFLSA-N 447.373 3.998 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccccc3F)cc2C)cc1 224091548 KIYBZLBZPTYQSG-UHFFFAOYSA-N 428.485 3.874 0 40 IHAB CCOc1ccc(N(CCCC(=O)NCCc2ccc(Cl)cc2)S(C)(=O)=O)cc1 224701975 GMGNHMWPJJPWKT-UHFFFAOYSA-N 438.977 3.644 0 40 IHAB COc1ccc(N(CCCC(=O)NC(C)(C)CC(C)(C)C)S(C)(=O)=O)c(OC)c1 224709995 ZDEMBBXFCQOZRO-UHFFFAOYSA-N 428.595 3.581 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccc(OC(F)(F)F)cc1 224872992 IQPWZLVHAFPRMX-UHFFFAOYSA-N 444.431 3.631 0 40 IHAB CN(C(=O)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)c1ccccc1 226073576 OTVDURFCOAGAJW-UHFFFAOYSA-N 437.359 3.513 0 40 IHAB COc1ccc([C@@H]2CN(C(=O)C3(Cc4ccccc4F)CCOCC3)CCN2C)cc1 257243391 IGSWVYMOFSQLIM-QHCPKHFHSA-N 426.532 3.689 0 40 IHAB COc1ccc(C(C)(C)C(=O)N2CCC(c3cncc(Nc4cnccn4)n3)CC2)cc1 257260302 LCGAUKJVVXYBRL-UHFFFAOYSA-N 432.528 3.703 0 40 IHAB O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 408543443 DLFFPMOXLWCRMK-UHFFFAOYSA-N 449.532 3.976 0 40 IHAB COc1cccc(C(=S)NCCN2CCOCC2)c1OCc1c(F)cccc1Cl 408577464 SQADKQZLDRFDNQ-UHFFFAOYSA-N 438.952 3.664 0 40 IHAB COc1ccc(Cl)cc1NC(=O)CCCC(=O)OCC(=O)N[C@@H](C)c1ccccc1 408643838 CIBQHHXVYJOZDE-HNNXBMFYSA-N 432.904 3.878 0 40 IHAB COc1cc(OC)c(OC)cc1C[C@H]1SC(=O)N(CCOc2ccc(C)cc2)C1=O 409142892 DVFZRKQTDUXGNG-HXUWFJFHSA-N 431.510 3.706 0 40 IHAB Cc1nc(C(=O)N[C@@H]2C[C@@H]3CCC(C)(C)c4cccc2c43)nn1-c1n[nH]c(C(F)(F)F)n1 540714602 YMFORQWFTTZDBP-SMDDNHRTSA-N 445.449 3.742 0 40 IHAB Cc1nn(C)c(C)c1[C@@H](NC(=O)N[C@H](c1c(C)nn(C)c1C)C(F)(F)F)C(F)(F)F 541806667 RKKZSFUNDMPMHY-ZIAGYGMSSA-N 440.392 3.593 0 40 IHAB Cn1ccnc1CN1CCC(N2C(=O)NCCc3ccccc3[C@H]2c2ccccc2)CC1 1615529654 LFLAXBUUMGYDRD-RUZDIDTESA-N 429.568 3.742 0 40 IHAB O=C(CN1CCC[C@H](C(=O)N2CCC(F)(F)CC2)C1)Nc1cccc(C(F)(F)F)c1 2298126608 GMNJZWARZJNKSB-AWEZNQCLSA-N 433.421 3.614 0 40 IHAB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)Nc2c(C)cccc2C)cc1 639924 RHMUGLJEFKTNFG-JOCHJYFZSA-N 437.496 3.512 0 40 IHAB O=C(CCC(=O)N1CCN(c2ccccc2)CC1)Nc1nnc(C2CCCCC2)s1 2434169 ZSKFQBBGMQWKMR-UHFFFAOYSA-N 427.574 3.653 0 40 IHAB CCOc1ccccc1NC(=O)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12 3015431 SPYBHPCONYBHMR-UHFFFAOYSA-N 433.508 3.874 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(C(=O)OCc2cc(C(C)=O)ccc2OC)ccc1C 3426455 BCNLFGHMGAUROT-UHFFFAOYSA-N 433.526 3.594 0 40 IHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Oc2ccc(C(=O)OC)cc2)cc1 3560777 DXNYTWIHBAXICZ-UHFFFAOYSA-N 439.489 3.908 0 40 IHAB O=C(CSc1nnc(N2CCCCC2)n1-c1ccccc1)N1CCc2ccccc2C1 8710478 NUYONWNCWVMJRD-UHFFFAOYSA-N 433.581 3.935 0 40 IHAB Cc1ccc(-c2csc3ncn(CC(=O)NCCc4ccc(F)cc4)c(=O)c23)s1 8862073 SUJFBIMNEKOUER-UHFFFAOYSA-N 427.526 3.993 0 40 IHAB O=C(Nc1cccc(Br)c1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 9069169 PZTBAQLAYRJESV-INIZCTEOSA-N 443.750 3.894 0 40 IHAB Cc1cccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(Cc3ccc(Cl)cc3)c(=O)n2C)c1 9109561 TZQNHLISEPTYMI-INIZCTEOSA-N 449.942 3.695 0 40 IHAB COc1cccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NCCCn4ccnc4)cc3N2)c1 9410673 TZBVTOJRWCGAKK-AEFFLSMTSA-N 448.449 3.569 0 40 IHAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@H](C)c3ccc(CC(C)C)cc3)C2=O)cc1 9506766 AEKMCKSHNCSSOE-NSYGIPOTSA-N 437.540 3.538 0 40 IHAB COc1cc(OC)c(N2C[C@H](C(=O)N[C@@H](C)c3ccc(F)c(F)c3)CC2=O)cc1Cl 9671229 NDWLVKBUCGFKSD-WCQYABFASA-N 438.858 3.866 0 40 IHAB COC(=O)c1sc(N)c(C(=O)OC)c1COC(=O)Cc1coc2cc(C)c(C)cc12 9703877 CTRSGELSVUQACM-UHFFFAOYSA-N 431.466 3.552 0 40 IHAB O=C(NC[C@H](c1cccc2ccccc12)N1CCCC1)C(=O)Nc1ccc2c(c1)OCCO2 10333969 DXADYWSKXNZYRH-JOCHJYFZSA-N 445.519 3.503 0 40 IHAB COCCCn1c(SCC(=O)N2CCC[C@H]2c2cccs2)nc2ccccc2c1=O 11551451 MYTRILQVZWIFMU-SFHVURJKSA-N 443.594 3.950 0 40 IHAB COc1ccc([C@H]2c3cccn3CCN2S(=O)(=O)c2cccc(Cl)c2)cc1OC 12361688 NNSQKIBBXDCUQF-NRFANRHFSA-N 432.929 3.953 0 40 IHAB COCCn1c(SCc2ccc(C)cc2)nc2cc(C(=O)NC(C)C)ccc2c1=O 12415117 CWRLTNZBABGGOQ-UHFFFAOYSA-N 425.554 3.782 0 40 IHAB CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccccc2F)CC1 12852211 XRBOHEJCAXBAOG-QZTJIDSGSA-N 447.576 3.673 0 40 IHAB COC(=O)C1=C(C)N(c2ccc3c(c2)OCO3)C(=O)N[C@@H]1c1ccc(OC(F)F)cc1 13001904 RGSXUHJEJMJRNO-GOSISDBHSA-N 432.379 3.735 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc4ncccc34)CC2)cc1 13016439 NUZMRFCICUYEBP-UHFFFAOYSA-N 439.537 3.673 0 40 IHAB COCCCNC(=S)NC[C@H](c1cccc(OC)c1OC)c1c[nH]c2ccccc12 13041993 HFFCOBJPSJDCAA-LJQANCHMSA-N 427.570 3.818 0 40 IHAB CC(C)CNC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Br)cc1 13583369 BFVDKLVPMCGCMR-UHFFFAOYSA-N 437.359 3.586 0 40 IHAB O=S(=O)(Nc1ccc(Cl)c(Cl)c1)c1ccn(S(=O)(=O)c2ccccc2)c1 13585732 HTPUCRWGVJKPNK-UHFFFAOYSA-N 431.322 3.833 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)N2CCC[C@H](C)C2)c2cccc(Cl)c2)cc1 13676692 ZKWKDTNNRDNUCZ-INIZCTEOSA-N 436.961 3.802 0 40 IHAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c(Br)c1 15315730 QNUHCJBJLSJNHP-ZDUSSCGKSA-N 431.286 3.520 0 40 IHAB C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1 15621256 XMTSZRIKXQCDQS-LBPRGKRZSA-N 445.766 3.600 0 40 IHAB COc1ccc(C(=O)N[C@@H](SC2=NCCS2)C(Cl)(Cl)Cl)cc1OC 15777233 VWKVYERQVJRACN-LBPRGKRZSA-N 429.778 3.966 0 40 IHAB O=c1c2ccccc2nc(CSC2=N[C@@H]3C=Cc4nsnc4[C@@H]3N2)n1-c1ccccc1 16523707 BUXPXDMKAZUHKZ-VQIMIIECSA-N 444.545 3.566 0 40 IHAB Cc1ccccc1N1C(=S)N(c2cccc(Br)c2)[C@H]2CS(=O)(=O)C[C@H]21 16740622 YFFLHTQEMBOLBK-DLBZAZTESA-N 437.384 3.535 0 40 IHAB CCOc1ccc(-c2cc3c(=O)n(Cc4nc(-c5cccc(C)c5)no4)ccn3n2)cc1 16842031 LRQSWUWDZLKMJF-UHFFFAOYSA-N 427.464 3.968 0 40 IHAB Cc1cc(-c2cnc(N(C)C)nc2[C@H]2CCCN2C(=O)CSc2nc(C)c(C)o2)on1 19122333 ZXESWNWMHUOFFA-MRXNPFEDSA-N 442.545 3.567 0 40 IHAB CC(C)NC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)[C@@H]2C[C@@H]2C)CCO1 19463491 FTMYFZDPROOUPC-IQOKHDRSSA-N 426.582 3.736 0 40 IHAB COc1ccccc1CCC(=O)N(C)Cc1nc(N2CCCC2)ncc1-c1ccncc1 19586340 ALJPGUZLVGANOW-UHFFFAOYSA-N 431.540 3.739 0 40 IHAB CN(C)c1ncc(-c2cnn(C)c2)c([C@H]2CCCCN2C(=O)CCc2ccc(F)cc2)n1 19694882 MBQVMVOHJNATAY-OAQYLSRUSA-N 436.535 3.769 0 40 IHAB CC(=O)N1CCC[C@@]1(Cc1cc(-c2ccccc2)no1)C(=O)NCCc1ccc(F)cc1 19696593 XFMWSYXUVGYNGJ-RUZDIDTESA-N 435.499 3.763 0 40 IHAB COc1ccc(-c2cnc(NC(=O)c3cccc([C@H]4CCc5nnc(C)n5C4)c3)n2C)cc1 19698212 IGZDIVLLRYSXTN-FQEVSTJZSA-N 442.523 3.978 0 40 IHAB COCc1ccc(C(=O)N(C)Cc2nc(C)c3c(n2)N(Cc2ccccc2)C(=O)CC3)cc1 19698601 VOJMZOVCLBZDLK-UHFFFAOYSA-N 444.535 3.683 0 40 IHAB Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cc(F)ccc2F)cc1 19930901 NUHWSYZDQRZRBA-NRFANRHFSA-N 430.476 3.802 0 40 IHAB COc1ccc([C@H](C)NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 19933941 PHORBVOKLYPBRU-LBPRGKRZSA-N 431.341 3.645 0 40 IHAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 20245500 WQXMUGPGCYZYRS-UHFFFAOYSA-N 437.565 3.772 0 40 IHAB CCNc1nc(N2CCN(c3ccccn3)CC2)nc2c1C(=O)C[C@H](c1ccccc1)C2 20801848 IMFGZQKIWJKGRI-LJQANCHMSA-N 428.540 3.543 0 40 IHAB Cc1nn2c(=O)cc(COc3cccc(NC(=O)CSc4ccccc4)c3)nc2s1 20859138 YVUZQSRDJKEVSZ-UHFFFAOYSA-N 438.534 3.769 0 40 IHAB O=C(c1cc(=O)c(OCc2ccc(Cl)cc2)co1)N1CCN(Cc2ccccc2)CC1 21196781 UQYULGFHPJKRIJ-UHFFFAOYSA-N 438.911 3.830 0 40 IHAB CCc1ccc(NC(=O)COc2cc(C)nc(N3CCN(c4ccccc4)CC3)n2)cc1 21360893 CRVDOURJLNWLGU-UHFFFAOYSA-N 431.540 3.692 0 40 IHAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CCN(Cc2cccc3ccccc23)CC1 22919005 HFJCJAQVBAABFY-FQEVSTJZSA-N 442.563 3.721 0 40 IHAB Cc1ccc(NC(=O)NC(=O)[C@H](C)Sc2nnnn2-c2ccc(Cl)cc2)c(C)c1 24978213 PAUGQQWAQPMXFT-ZDUSSCGKSA-N 430.921 3.761 0 40 IHAB CCCCN1C(=O)C[C@H](C(=O)NCCCn2cnc3ccccc32)[C@@H]1c1ccc(OC)cc1 25400307 JAAXHYGPVIVLLD-OFVILXPXSA-N 448.567 3.941 0 40 IHAB Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)NCc3ccc(Cn4cncn4)cc3)c12 32752692 KURZHEXBVHOAOT-UHFFFAOYSA-N 443.536 3.575 0 40 IHAB COc1ccc(C(=O)Nc2ccncc2Cl)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C 32845143 DANJKKQBRZGUFL-XJKSGUPXSA-N 437.949 3.853 0 40 IHAB CCn1cc(-c2nc(-c3cccc(F)c3)no2)c(=O)c2cc(F)c(N3CCOCC3)cc21 33255995 OJPNICVMFMJCDH-UHFFFAOYSA-N 438.434 3.853 0 40 IHAB COc1ccc(NC(=O)[C@H]2C[C@H](Cc3ccccc3)N[C@]23C(=O)Nc2ccccc23)cc1 35365933 GAPVBHBNQIVAFM-WSNOQYBDSA-N 427.504 3.702 0 40 IHAB biogenic COc1cc(NC(=O)c2cc(Br)ccc2F)c(C(=O)N(C)C)cc1OC 40082434 VIXQVENGNGGAJV-UHFFFAOYSA-N 425.254 3.560 0 40 IHAB COC(=O)C[C@@H](NC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)c1ccccc1 40141730 OFGNOFCUUVLETP-LJQANCHMSA-N 425.435 3.673 0 40 IHAB Cc1ccc(N(CC(=O)NCCSCc2ccccc2Cl)S(C)(=O)=O)c(C)c1 44791188 FMTRHUCALLQYCM-UHFFFAOYSA-N 441.018 3.772 0 40 IHAB Cc1ccc(-n2ncc(C(=O)NCCOc3ccc4c(c3)OCO4)c2C(F)(F)F)cc1 48278669 XUHXIQJCIDOSOL-UHFFFAOYSA-N 433.386 3.737 0 40 IHAB C[C@H]1C[C@@H](C(F)(F)F)n2nc(C(=O)OCC(=O)c3ccc(Br)cc3)cc2N1 51353940 BGNRPFRTLBYQIS-XPTSAGLGSA-N 446.223 3.993 0 40 IHAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1c1nc(N)ncc1-c1ccc(Cl)cc1 72354922 ZLRMUJLSDRXUNU-MRXNPFEDSA-N 433.921 3.510 0 40 IHAB COc1cc(CN2CCC(c3cc(O)nc(-c4ccncc4)n3)CC2)cc(OC)c1OC 72392705 ARMVCWXWJCFJDY-UHFFFAOYSA-N 436.512 3.650 0 40 IHAB Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N(C)[C@H]1CCC[C@H]1S(C)(=O)=O 78879496 HPMBFDPHFLZFPM-JKSUJKDBSA-N 442.990 3.722 0 40 IHAB CC(C)c1nc(-c2ccc(N3CCN(C(=O)c4cc(-c5ccccc5)n[nH]4)CC3)nc2)no1 90558858 KWWCKELEBJBYBB-UHFFFAOYSA-N 443.511 3.608 0 40 IHAB COc1cc(-n2cc(C(=O)Nc3ccccc3O)c3ccccc3c2=O)cc(OC)c1OC 95476134 VVBVVRHZMXXNNK-UHFFFAOYSA-N 446.459 3.974 0 40 IHAB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1)c1ccc(Cl)cc1 100560961 YMZWCGXHMJOYJY-SNHGZMDHSA-N 435.863 3.691 0 40 IHAB COc1ccc(OC)c([C@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)c1 102736661 QODSFRKLSWYKOD-TZRRMPRUSA-N 444.487 3.751 0 40 IHAB Cc1cccc(C)c1NC(=O)CSc1nnc([C@@H](C)NC(=O)c2ccccc2F)n1C 108924192 RIKSHAWIWQXXQV-OAHLLOKOSA-N 441.532 3.793 0 40 IHAB CCOc1ccc(CNC(=O)CCCN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1 113965200 GBXZEMRDGVNGSP-UHFFFAOYSA-N 438.977 3.910 0 40 IHAB Cc1cccc(C)c1NC(=O)CCC(=O)OCC(=O)Nc1ccc(Br)cc1 139118275 SZQDQWSVHRRASE-UHFFFAOYSA-N 433.302 3.967 0 40 IHAB CCN1c2ccccc2C(c2ccccc2)=C(C(=O)NCc2ccccc2OC)S1(=O)=O 219184787 LJGBLNTUKWKUNH-UHFFFAOYSA-N 448.544 3.941 0 40 IHAB CC[C@H](Oc1cccc(OC)c1)C(=O)NCc1nc(-c2cccc(Br)c2)no1 219363015 RJXBQCJTSTXOOI-KRWDZBQOSA-N 446.301 3.982 0 40 IHAB COC(=O)c1cccc(NC(=O)[C@H](C)N(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c1 220436669 MCERNWWTWICHNS-NSHDSACASA-N 445.324 3.573 0 40 IHAB CCOC(=O)c1cc(NC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)ccc1Cl 222504529 GAWUCFZEJVQRMN-UHFFFAOYSA-N 445.324 3.818 0 40 IHAB CS(=O)(=O)N(CC(=O)NCc1ccc2ccccc2c1)c1ccc(Br)cc1 222759840 PJZJUNGEOJAPJQ-UHFFFAOYSA-N 447.354 3.685 0 40 IHAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)N[C@@H](C)c3ccc(C)cc3C)s2)c1 222983138 QUZXIFSUOVIJEN-HNNXBMFYSA-N 430.555 3.755 0 40 IHAB CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(Br)c(C)c1 223669679 NUWCHAHXSFOQLI-QGZVFWFLSA-N 447.373 3.998 0 40 IHAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)o1 225444435 CKIXWMSKUBNAAJ-PMACEKPBSA-N 442.566 3.840 0 40 IHAB CCOc1ccc(CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1 225525447 KNXREMSXXJYLIL-OAQYLSRUSA-N 444.597 3.543 0 40 IHAB CCOc1cc(CNC(=O)CCCN(c2cc(C)cc(C)c2)S(C)(=O)=O)ccc1OC 225526785 GRNVLYOETDJUSK-UHFFFAOYSA-N 448.585 3.573 0 40 IHAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(-c3csc(C)n3)c2)cc1C 226057286 XYXHMWATUIRRRB-UHFFFAOYSA-N 445.566 3.695 0 40 IHAB CCN1CCN(C(=O)c2ccc(O)nc2)C[C@@H](Cc2ccccc2-c2ccc(C)cc2)C1=O 257342586 ZPHUYVJQXWVBNU-HSZRJFAPSA-N 443.547 3.926 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(C)ccc3OC)C2)cc1C 408556445 CPUVLMHRPZPAET-GOSISDBHSA-N 446.569 3.750 0 40 IHAB NC(=O)COc1ccc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1Br 408559963 XKMAVBVVVXOANH-KRWDZBQOSA-N 441.734 3.745 0 40 IHAB CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 408589866 FXMMISVDCRCXCL-IBGZPJMESA-N 438.549 3.591 0 40 IHAB COc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1 408664502 CDCZYICRMFNILW-GFCCVEGCSA-N 437.279 3.537 0 40 IHAB COc1cc(/C=C2/NC(=O)NC2=O)c(Br)cc1OCc1ccccc1Cl 409058857 UECLOFNQPIKYMM-MKMNVTDBSA-N 437.677 3.870 0 40 IHAB C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(F)c2)cc1)c1ccccc1 409149464 GYZODWUYZWSVCU-MRXNPFEDSA-N 428.485 3.883 0 40 IHAB O=C(Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1)c1cc(F)cc2nn[nH]c12 503630885 GBERHUSYEQJWBT-UHFFFAOYSA-N 446.410 3.601 0 40 IHAB CC1CCN(C(=O)c2ccc(NS(=O)(=O)c3cc4c(cc3Cl)NC(=O)C4)cc2)CC1 590262817 BKJALCNEUSXQNY-UHFFFAOYSA-N 447.944 3.508 0 40 IHAB Cn1cc(CC(=O)N2CCC(n3nc(-c4ccccc4)ccc3=O)CC2)c2ccccc21 1775971171 HVODATHODYDTFD-UHFFFAOYSA-N 426.520 3.808 0 40 IHAB Cn1cc(CC(=O)N2C[C@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@@H]3C2)c2ccccc21 1888910712 XCSIBDZGMIJWAC-IAGOWNOFSA-N 428.458 3.729 0 40 IHAB CC(C)Oc1ccc(CN2C[C@@H]3NC(=O)COc4ccccc4CCCCO[C@@H]3C2)cc1 2037985221 BSOAQPSRENMXTB-UKILVPOCSA-N 438.568 3.575 0 40 IHAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3COc4ccccc4O3)cc2)c(C)c1 916472 PKTSOFVQKGXPJT-JOCHJYFZSA-N 438.505 3.883 0 40 IHAB O=C(Nc1cccc(F)c1)c1ccc(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1 1423444 FIHQDOQWQSFYDV-UHFFFAOYSA-N 438.436 3.985 0 40 IHAB Cc1c(N[C@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl)c(=O)n(-c2ccccc2)n1C 2666962 OUTODQSSWVJHSQ-KRWDZBQOSA-N 433.767 3.755 0 40 IHAB COCCn1c(SCC(=O)N2[C@@H](C)CCC[C@@H]2C)nc2sc3c(c2c1=O)CCCC3 3326935 GEBXDXYHWRRRJJ-GJZGRUSLSA-N 449.642 3.865 0 40 IHAB Cc1ccc(N2C(=O)N(CC(=O)Nc3ccc(Br)c(C)c3)C(=O)[C@@H]2C)cc1 3343902 PVWMYNUGFUTHRH-AWEZNQCLSA-N 430.302 3.862 0 40 IHAB COC(=O)c1cccc(NC(=O)CSc2nnc(CSCc3ccccc3)n2C)c1 8400903 ZFUCIMSAXNLKRA-UHFFFAOYSA-N 442.566 3.766 0 40 IHAB O=C(CSc1nnnn1-c1cccc(Cl)c1)N1CCS[C@H]1c1ccccc1F 8728053 GUNTWNKDSAJUTO-KRWDZBQOSA-N 435.937 3.821 0 40 IHAB CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)/C=C/c1ccc2c(c1)OCCCO2 8748567 YXUNNEZRWCDVQV-CSKARUKUSA-N 434.414 3.977 0 40 IHAB Cc1cccc2c(=O)n(CCC(=O)Nc3ccc(-c4nnc5n4CCCCC5)cc3)cnc12 8762330 ZQAKZNFRROQYER-UHFFFAOYSA-N 442.523 3.719 0 40 IHAB Cc1c(CC(=O)N[C@H](C(=O)O)C(C)C)c(=O)oc2cc3c(cc12)CCC1(CCCCC1)O3 8880021 XXDQWHTWMFHMTN-QFIPXVFZSA-N 441.524 3.897 0 40 IHAB biogenic Cc1ccc(-n2ncc3c(=O)n(CC(=O)Nc4ccc(C(F)(F)F)cc4)cnc32)cc1 9416333 TYAXMROLNQOZCZ-UHFFFAOYSA-N 427.386 3.548 0 40 IHAB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)O[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C 9466419 YAOXMLAHRDMURR-GXZWQRSESA-N 444.478 3.629 0 40 IHAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)Cn2nnc(-c3cccs3)n2)cc1 9512644 NUWWFNJNFUWUFA-HXUWFJFHSA-N 444.520 3.788 0 40 IHAB CCN(CC(=O)Nc1ccc(N2CCCCCC2)cc1)Cc1nc2ccccc2c(=O)[nH]1 9595445 XYXRPOZRFYHFTN-UHFFFAOYSA-N 433.556 3.764 0 40 IHAB O=C(CNc1cccc(S(=O)(=O)N2CCCC2)c1)NC(c1ccccc1)c1ccccc1 9782229 WWZANLKWEPWHCL-UHFFFAOYSA-N 449.576 3.789 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2nc(-c3ccncc3)cs2)ccc1F 9868978 BMRASIFTVLFNRN-UHFFFAOYSA-N 434.518 3.627 0 40 IHAB CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 10039836 JYNZSXGZCQXSHB-ILGMOKPNSA-N 441.572 3.862 0 40 IHAB Cc1ccc(NC(=O)COC(=O)C2(S(=O)(=O)c3ccc(C)c(C)c3)CCCC2)cc1 10938492 UJXLDKATEOHNQN-UHFFFAOYSA-N 429.538 3.880 0 40 IHAB COc1ccc(S(=O)(=O)Nc2cccc(-c3csc4nc(C)cc(=O)n34)c2)cc1C 11696301 OXQYBMXXRDYYAU-UHFFFAOYSA-N 441.534 3.849 0 40 IHAB COc1ccc(Cl)cc1NC(=O)CSc1ncnc2c1nnn2-c1ccc(F)cc1 11758607 WAELAUDMHIMNJZ-UHFFFAOYSA-N 444.879 3.742 0 40 IHAB COc1ccccc1O[C@@H](C)C(=O)N1CCC[C@@H](c2nc3ccccc3cc2C(N)=O)C1 12219713 KQLROBGJWUHMCV-FUHWJXTLSA-N 433.508 3.516 0 40 IHAB Cc1ccc([C@@H](NCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)c2ccccc2)cc1 12567546 HCFZGPZUQGNCMC-ZCYQVOJMSA-N 440.609 3.632 0 40 IHAB O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 12677175 JPOFTSREOCCZFK-UHFFFAOYSA-N 446.475 3.762 0 40 IHAB Cc1cc(C)c(NC(=O)CN(C)C(=O)C2CCN(C(=O)c3ccccc3C)CC2)c(C)c1 12763729 NVIKUNVRPFOPCA-UHFFFAOYSA-N 435.568 3.870 0 40 IHAB O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)Nc1ccc(Br)cc1 12776679 CDUUSOUVNHEUNR-UHFFFAOYSA-N 437.359 3.635 0 40 IHAB CNC(=O)[C@@H]1Cc2ccccc2CN1Cn1nc(-c2cccs2)n(C2CC2)c1=S 12809132 CIMPRMJDMFROSV-KRWDZBQOSA-N 425.583 3.608 0 40 IHAB CNS(=O)(=O)c1ccc(/C=C/C(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 12821095 ONTXOIPSIPUSCP-HGZMWJMZSA-N 427.551 3.581 0 40 IHAB Cn1cc(C(=O)OCC(=O)Nc2cc(-c3ccc4c(c3)CCC4)nn2-c2ccccc2)cn1 12851869 JUUAIABLYUPPLQ-UHFFFAOYSA-N 441.491 3.557 0 40 IHAB O=C(CSc1ncc(-c2ccc(F)cc2)o1)NCC1(N2CCOCC2)CCCCC1 12950813 SPVKKKZPFCENQR-UHFFFAOYSA-N 433.549 3.724 0 40 IHAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)[C@H](C)Oc2cccc(Cl)c2)CC1 13006474 RCCOPHGYTOPUTF-SFHVURJKSA-N 429.948 3.507 0 40 IHAB CCCc1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3OC)cc2)s1 13101918 FSRYUVCECKWRTQ-UHFFFAOYSA-N 446.554 3.577 0 40 IHAB Cc1nc2ccc(NC(=O)Cc3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2s1 13129121 RXPBRIXBNQEOCT-UHFFFAOYSA-N 429.567 3.961 0 40 IHAB Cc1cccc(C(=O)O)c1NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1 13432739 DZDFODGGUIYFSH-HUUCEWRRSA-N 430.526 3.612 0 40 IHAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=S)NC[C@@H]3CCCO3)cc2c1 13555577 NVBYWZMIHUOFHE-IBGZPJMESA-N 425.554 3.739 0 40 IHAB COc1ccc2nc(-c3ccc(OC)c(NC(=O)[C@@H](C)Oc4ccccc4F)c3)cn2n1 13710487 WAFSCPHRMJNKTG-CQSZACIVSA-N 436.443 3.959 0 40 IHAB CC[C@H](C(=O)NCCSc1ccccc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714302 AVVXIQWFXVICIF-GOSISDBHSA-N 426.991 3.793 0 40 IHAB Cc1cccc(NC(=O)CNC(=O)[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)c1C 14235729 LQKWDJDJMYZWFJ-MCADVSAISA-N 439.600 3.715 0 40 IHAB CC(C)(C)NC(=O)c1ccccc1NC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 14396876 LMHNFEWENVSLJG-UHFFFAOYSA-N 449.548 3.539 0 40 IHAB COc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc1OC 15012368 PNRHRMOHYWBURS-UHFFFAOYSA-N 426.494 3.781 0 40 IHAB COc1ccc(Cl)cc1N(CC(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)cc1 16309613 JMEJIFMJFFXOMQ-UHFFFAOYSA-N 436.961 3.911 0 40 IHAB CCCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCO)cc1OCC 16753389 LPAYPRQVAWJRPF-QFIPXVFZSA-N 437.492 3.908 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@H](C(F)(F)F)C3)CC2)c(C)c1 16962419 GTFOOFWMFDHBCS-QGZVFWFLSA-N 432.508 3.505 0 40 IHAB CCOc1ccc(C(=O)Nc2ccc3c(c2)CCCN3S(=O)(=O)CC)cc1OCC 17315531 BGUHTXKKNDVQLS-UHFFFAOYSA-N 432.542 3.839 0 40 IHAB CC(C)NC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCCN(C(=O)c2cnccn2)C1 19448903 ZVAJRXDDSJJEPJ-AREMUKBSSA-N 443.551 3.528 0 40 IHAB CC(C)NC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)[C@@H]2CCCO2)C1 19449209 GPFYJVKPAXVADK-RDPSFJRHSA-N 426.582 3.880 0 40 IHAB CC(C)NC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)Cn2cccn2)C1 19449287 GRBCHCXBAAJPSJ-XMMPIXPASA-N 436.581 3.598 0 40 IHAB CCCn1cc(C(=O)N2CC[C@@](Cc3cccc(-c4ccccc4)c3)(C(=O)NC)C2)cn1 19526078 QJGCAMKRKGDKAC-SANMLTNESA-N 430.552 3.781 0 40 IHAB COc1ccc(CNC(=O)C2(C[C@@H]3CC(c4cccc(F)c4)=NO3)CCOCC2)cc1 19555706 NBKHXTVQHLSGTH-NRFANRHFSA-N 426.488 3.831 0 40 IHAB C=Cn1cc(CN2CCC(C[C@H]3CC(c4ccccc4F)=NO3)(C(=O)O)CC2)c(C)n1 19584174 LTIWSMMCJHLMDI-GOSISDBHSA-N 426.492 3.681 0 40 IHAB COc1cccc(CNC(=O)c2cnc([C@H]3CCN(Cc4cccc(F)c4)C3)nc2C)c1 19758290 HXKBNHXFCZSAPY-FQEVSTJZSA-N 434.515 3.852 0 40 IHAB COc1ccccc1NC(=O)c1cnc([C@H]2CCN(C(=O)Cc3ccc(F)cc3)C2)nc1C 19766113 QDAKNJSZKYTYFF-SFHVURJKSA-N 448.498 3.744 0 40 IHAB CC1(C)Cc2c(c(N3CCCC3)nc3sc4c(N5CCOCC5)ncnc4c23)CO1 20026874 FTSIXELMUPDXDJ-UHFFFAOYSA-N 425.558 3.528 0 40 IHAB Nn1c(SCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)nnc1C1CC1 20817605 YKRCJZHEUGEFLO-MRXNPFEDSA-N 442.932 3.586 0 40 IHAB CCc1cccc(NC(=O)COc2cc(C)nc(N3CCN(c4ccccc4)CC3)n2)c1 21360886 XBEOXXFGUBSNIZ-UHFFFAOYSA-N 431.540 3.692 0 40 IHAB O=C(c1cc(-c2ccc(F)cc2)nc2ccccc12)N1CCN(CCN2CCCC2)CC1 23257870 JPCWHLBSPLRBNQ-UHFFFAOYSA-N 432.543 3.895 0 40 IHAB CC1(C)Cc2cccc(OCC(=O)N3CCN(Cc4nc5ccccc5s4)CC3)c2O1 23882984 CCGBQUIGHBGCAW-UHFFFAOYSA-N 437.565 3.733 0 40 IHAB COC(=O)c1ccc(NC(=O)CSc2nnc(COc3ccccc3Cl)n2C)cc1 24633914 IZWYAUQMODLOEC-UHFFFAOYSA-N 446.916 3.565 0 40 IHAB CCN(CC)C(=O)[C@H](OC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3)c1ccccc1 24843527 CJKWHFODQDUEMY-HSZRJFAPSA-N 447.535 3.889 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)oc4cc(C)c(C)cc34)CC2)cc1C 25703262 IWNUSUHAMMWPKR-UHFFFAOYSA-N 440.565 3.533 0 40 IHAB CCCc1nnc(SCC(=O)Nc2ccc(Br)cc2F)n1-n1cccc1 27526549 SQQPMCRMZXJBAM-UHFFFAOYSA-N 438.326 3.976 0 40 IHAB COc1c(Br)cc(Cl)cc1NC(=O)c1cccc(NS(C)(=O)=O)c1 27827811 QBWVKIODQLOUMI-UHFFFAOYSA-N 433.711 3.735 0 40 IHAB O=C(NCc1cccc(NC(=O)c2ccco2)c1)NCc1ccccc1Cn1cccn1 28408689 WBTVCKHVMKULEF-UHFFFAOYSA-N 429.480 3.776 0 40 IHAB Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)c1C 29763604 VLHLLVRELGHIBO-KNQAVFIVSA-N 442.943 3.907 0 40 IHAB CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)/C=C/c2ccc(Cl)cc2)CC1 32666363 CQYVPXRBQBEHRA-IZZDOVSWSA-N 427.932 3.920 0 40 IHAB CN(CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1)S(=O)(=O)c1cccs1 32738121 FDAZJRQNPDRKDM-UHFFFAOYSA-N 447.504 3.626 0 40 IHAB CN1C(=O)[C@]2(Nc3ccccc3C(=O)N2C[C@H](c2cccs2)N(C)C)c2ccccc21 36358065 CJWHWJASGPDMJK-YKSBVNFPSA-N 432.549 3.748 0 40 IHAB COc1ccccc1CN(C)C(=O)[C@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 38754885 IZXQREOGSGBJSP-ZDUSSCGKSA-N 445.368 3.815 0 40 IHAB Cc1ccc(C(=O)Nc2ccccc2OCc2cc(=O)n3c(ncn3CC(C)C)n2)cc1 41076913 NGVFLRCRLXZUJM-UHFFFAOYSA-N 431.496 3.687 0 40 IHAB O=C(c1cnn(-c2ccccc2)n1)N1CCC[C@H](c2nnc(-c3ccccc3F)s2)C1 42380109 JVKRRHWKOBXGNT-HNNXBMFYSA-N 434.500 3.945 0 40 IHAB Cc1c(C)c2cc(Cl)c(OCC(=O)NC[C@@H]3CCCN4CCCC[C@@H]34)cc2oc1=O 43746938 SMAAEEZQLDVJIR-LPHOPBHVSA-N 432.948 3.823 0 40 IHAB biogenic CCN(C(=O)Cn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2sccc21)c1ccccc1 57491721 HVNBMNIATRODJM-UHFFFAOYSA-N 439.924 3.920 0 40 IHAB CCN(C(=O)[C@@H](C)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)[C@H]1CCS(=O)(=O)C1 57739586 CMUZUWNRSRAHOS-SYGKUVGHSA-N 444.641 3.990 0 40 IHAB COc1ccc(-c2cc(C(=O)NCCNc3ccc(C)nn3)c3ccccc3n2)cc1OC 58307492 MALLWTMSJFPQHO-UHFFFAOYSA-N 443.507 3.859 0 40 IHAB O=S(=O)(c1cccnc1)N1CCC2(CC1)C[C@@H]2c1nc(-c2cccc(Cl)c2)no1 69697301 WFAHKSYLLTVCOP-QGZVFWFLSA-N 430.917 3.743 0 40 IHAB Cc1ccc(Cl)cc1NC(=O)c1nnn(CC(=O)NCc2ccccc2Cl)c1C 71327096 BOUMOFLMIDPYTL-UHFFFAOYSA-N 432.311 3.770 0 40 IHAB CCOc1ccc(CNC(=O)c2cnn(-c3ccc(-c4nc(C5CC5)no4)cn3)c2C)cc1 71768666 DMBOSYHRGXSOJE-UHFFFAOYSA-N 444.495 3.832 0 40 IHAB COc1ccc(F)cc1S(=O)(=O)N1CC(Oc2nc3c(Cl)cccc3s2)C1 77101050 VZLKBUKFRVKKKO-UHFFFAOYSA-N 428.894 3.549 0 40 IHAB COc1cc(-c2noc(-c3sc4nc(C)cc(C)c4c3N)n2)c(OC)c2c1OCO2 78549381 COROWOUTDZUCTK-UHFFFAOYSA-N 426.454 3.958 0 40 IHAB Cc1ccc(-n2nc(C(=O)N3C[C@H]4CN(Cc5ccccc5)C[C@@H]4C3)c3c2CCC3)cc1 79049306 COZINAYGNSPPSM-FGZHOGPDSA-N 426.564 3.873 0 40 IHAB COC(=O)[C@H](c1cc(F)c(F)c(F)c1)N(C)CC(=O)N[C@@H](c1ccc(C)cc1)C1CC1 84148655 IHNUACMOVHBJPK-VXKWHMMOSA-N 434.458 3.826 0 40 IHAB O=C1CCc2cc(OCC(=O)NC3(c4cccc(Br)c4)CCC3)ccc2N1 84363367 UKNVVKHOIOYGAN-UHFFFAOYSA-N 429.314 3.908 0 40 IHAB O=C(NCCn1ccc2ccc(F)cc21)c1ccc(N2CCCCS2(=O)=O)cc1Cl 95474763 GSGXGGYKFFOEOM-UHFFFAOYSA-N 449.935 3.794 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)[C@@H]1CSCN1C(=O)c1ccccc1 95947784 ZOLZPFPBFKWJTL-QFIPXVFZSA-N 434.565 3.663 0 40 IHAB O=C([C@@H]1CSCN1C(=O)/C=C/c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1 97124303 CEEZVAAMSGPRLT-GLCJEOIMSA-N 441.984 3.604 0 40 IHAB CCn1c(S)nc2cc(C(=O)N[C@H](C)c3ccccc3Br)ccc2c1=O 102170392 SQBRLCHIGGSESX-LLVKDONJSA-N 432.343 3.959 0 40 IHAB COC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4C)[C@H]3c3ccc(C)o3)C2=O)cc1 102914497 OCZMTJMEJFNJHE-FDFHNCONSA-N 446.459 3.734 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccccc2SC)CC1 106378879 PISHRJYESYSWNO-UHFFFAOYSA-N 434.583 3.765 0 40 IHAB COc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3ccccc3C(C)C)n2)c(OC)c1 219300314 ABNGCJABKQQLHB-OAHLLOKOSA-N 425.485 3.961 0 40 IHAB CC[C@@H](C(=O)Nc1cc(C)ccc1OC)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O 222503182 MGWRVOTUMJZICN-KRWDZBQOSA-N 428.913 3.979 0 40 IHAB CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)COc1cccc(C)c1 223030491 RCZHOWVUVITHJO-INIZCTEOSA-N 433.346 3.690 0 40 IHAB CN(Cc1nc(-c2ccc(C(C)(C)C)cc2)no1)S(=O)(=O)c1ccc2c(c1)OCCO2 223583920 BUKWEQCWAGJGAP-UHFFFAOYSA-N 443.525 3.626 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NCc3ccc(F)cc3)cc2)cc1 224427190 VQDOOMFEPOYMLW-UHFFFAOYSA-N 426.513 3.885 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2cc(C(F)(F)F)ccc2Cl)cc1C 224652405 PWZIJQUSZHZDQB-UHFFFAOYSA-N 437.823 3.956 0 40 IHAB Cc1cc(S(=O)(=O)NCc2ccccc2CN2CCCCC2)ccc1N1CCCC1=O 224833966 ACPKOZAKODJIIJ-UHFFFAOYSA-N 441.597 3.586 0 40 IHAB CCn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(NC(=O)COC)cc1 225229074 IAGAUXOMGUNREF-VXKWHMMOSA-N 435.553 3.665 0 40 IHAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCc1c(Cl)cccc1Cl 225358395 ZYFVMSSLOAZDOV-UHFFFAOYSA-N 427.353 3.766 0 40 IHAB CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccc(Br)cc1 225400726 COZZJCHYWKFWGS-ZDUSSCGKSA-N 439.737 3.645 0 40 IHAB CC[C@@H](NC(=S)Nc1cc(C(=O)OC)ccc1Cl)c1ccc(S(C)(=O)=O)cc1 225724552 FGJAJBVZLWBAEF-MRXNPFEDSA-N 440.974 3.968 0 40 IHAB COCCCNC(=S)Nc1nc(N2CCCCCC2)cc(N2C[C@H](C)C[C@@H](C)C2)n1 225901548 XBSIHBRPQGFXAG-QZTJIDSGSA-N 434.654 3.662 0 40 IHAB CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H]5ON=C(c6ccc(Cl)cc6)[C@@H]45)[C@H]3C2=O)cc1 248378529 JUKXLVWUIODHES-MWDFQMAHSA-N 434.879 3.717 0 40 IHAB CCC[C@](C)(O)[C@@H]1C[C@@]23C=C[C@@]1(OC)[C@@]1(C)Oc4c(O)ccc5c4[C@@]12CCN(C)[C@H]3C5 253504480 GGSNWFNWEAZKML-KNIPHJGLSA-N 425.569 3.554 0 40 IHAB biogenic,in-vitro Cc1ccc(=O)n(CC(=O)N2CCCC[C@H]2c2ncc(Cc3ccccc3Cl)o2)n1 257219177 DFWTXTVGSPLHOI-IBGZPJMESA-N 426.904 3.538 0 40 IHAB COc1cccc2c1OC(C)(C)[C@H]1C[C@@H]3[C@H](CCN3C(=O)CCCc3cn[nH]c3)O[C@H]21 257277042 NWFUXVWTYAVEPK-LMVRJCEZSA-N 425.529 3.659 0 40 IHAB CN1C[C@H](C(=O)N(C)Cc2ccccc2)OC2(CCN(Cc3ccc(Cl)cc3)CC2)C1 306126539 DYTIVWMIHYDEMQ-HSZRJFAPSA-N 442.003 3.664 0 40 IHAB Cc1nc(CN2CC[C@]3(CN(C(=O)CC(C)C)C[C@H]3c3cn(C(C)C)cn3)C2=O)cs1 306143912 YQPAWPGVGKSCJE-WMZHIEFXSA-N 443.617 3.620 0 40 IHAB COc1ccc(C)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)cc(C)cc2C)C1 408558266 IXZSPAJUQQJSGW-IBGZPJMESA-N 430.570 3.968 0 40 IHAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccco3)cc2)cc1Cl 408606904 PHWLBEZUGPELIH-UHFFFAOYSA-N 434.901 3.737 0 40 IHAB CCOc1ccccc1N1C[C@@H](C(=O)OCC(=O)c2ccc(Br)cc2)CC1=O 408664961 ZAAGLSUMICZVJQ-HNNXBMFYSA-N 446.297 3.627 0 40 IHAB O=C(Oc1ccc(N2C(=O)CCC2=O)cc1)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 408672603 VNUBANBYGCMYDR-LBPRGKRZSA-N 447.274 3.605 0 40 IHAB CCc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCc2ccccc2C)cc1 408709486 BKJBISJMMKNSLU-UHFFFAOYSA-N 429.520 3.742 0 40 IHAB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)cc(OC)c1O 409152880 GNPCLFOBAFDYRV-LICLKQGHSA-N 442.493 3.701 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CSc2nnc(COc3ccccc3F)o2)cc1 409387004 YNNUQWRDHXFGJC-UHFFFAOYSA-N 431.445 3.695 0 40 IHAB O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 556826227 SOOZAQFLUOXIQJ-QYZOEREBSA-N 427.444 3.778 0 40 IHAB COCC(=O)N1CCCN(CC(C)C)CCCN(C(=O)CC(C)C)Cc2cc(F)ccc21 643572195 AYDFKMPIFDNBPO-UHFFFAOYSA-N 449.611 3.932 0 40 IHAB Cc1ccc(C(=O)N2CCC3(CC2)[C@@H](C(=O)N(C)C)c2ccccc2C(=O)N3C(C)C)cc1 1549167941 RZQGLJNDCUUTJR-HSZRJFAPSA-N 447.579 3.706 0 40 IHAB O=C(COc1cc(F)ccc1F)N1CCC2(CC1)CC(=O)N(Cc1cccc(F)c1)C2 2055795685 DNGHNTZXLIPGLU-UHFFFAOYSA-N 432.442 3.524 0 40 IHAB CC(C)(C)c1cc2oc(=O)c(I)c(O)c2c(=O)n1-c1ccccc1 704374 VUDJPWWRTACYSY-UHFFFAOYSA-N 437.233 3.552 0 40 IHAB Cn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1cc2ccccc2cc1O 896679 FNSCFDNWEFGTTE-UHFFFAOYSA-N 448.504 3.843 0 40 IHAB Cc1ccc2c(c1)c1c3n2CCN(C(=O)Cn2c(-c4ccccc4)noc2=O)[C@H]3CCC1 1332560 LSQQUPRKNYRRBN-NRFANRHFSA-N 428.492 3.686 0 40 IHAB aggregator Nc1c(C(=O)NCc2ccc3c(c2)OCO3)c2nc3ccccc3nc2n1-c1ccccc1 2290218 HBZYSMQUVQCZDO-UHFFFAOYSA-N 437.459 3.815 0 40 IHAB Cc1cc(C(=O)CSc2nnnn2-c2ccc(O)cc2)c(C)n1Cc1cccs1 2646458 JZZBXONPJXILMZ-UHFFFAOYSA-N 425.539 3.871 0 40 IHAB CCCCn1c(=O)c2ccccc2n2c(SCC(=O)NC3CCCCCC3)nnc12 4500867 QRRILHOTEOVCKP-UHFFFAOYSA-N 427.574 3.775 0 40 IHAB Cc1cccc2cc([C@H](c3nnnn3Cc3ccccc3)N3CCCCCC3)c(=O)[nH]c12 6444139 ODMPQAOMWNMVLW-HSZRJFAPSA-N 428.540 3.837 0 40 IHAB CCOC(=O)CN(C(=O)CSc1nnc(-c2cccc(OC)c2)o1)c1ccc(F)cc1 6552290 ZWUDKHJUAKYIJY-UHFFFAOYSA-N 445.472 3.573 0 40 IHAB COCCCn1c(SCC(=O)Nc2cc(Cl)ccc2OC)nc2ccccc2c1=O 6904664 WZAALRYYQOUSJF-UHFFFAOYSA-N 447.944 3.826 0 40 IHAB CC(C)C(=O)N1C(=O)[C@@]2(c3ccccc31)c1[nH]c3ccccc3c1CCN2C(=O)C(C)C 8878030 QJSDQZVKVDCCOI-AREMUKBSSA-N 429.520 3.981 0 40 IHAB biogenic Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2N2CCN(C(=O)C(C)C)CC2)cc1 8904421 CTSKGVVCSBAMRT-UHFFFAOYSA-N 435.977 3.754 0 40 IHAB COc1cc(OC)cc(C(=O)N(C(=O)c2cc(OC)cc(OC)c2)c2cccc(C)n2)c1 8931590 QXHQKTXXLUTOHS-UHFFFAOYSA-N 436.464 3.912 0 40 IHAB COc1ccccc1-n1nnnc1SCC(=O)NC(c1ccccc1)c1ccccc1 9496302 NFOIOTAWRYMHEY-UHFFFAOYSA-N 431.521 3.669 0 40 IHAB COc1ccc(N2C[C@H](NC(=O)NC(c3ccccc3)c3ccccc3)CC2=O)cc1OC 9568829 DPOGODRNJYNOIH-HXUWFJFHSA-N 445.519 3.898 0 40 IHAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCN(c2ccncc2)CC1 9789311 LZVSAJHTMFDNCO-CMDGGOBGSA-N 436.519 3.691 0 40 IHAB CC(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1 10253577 ZOOAUJSMHMNRKF-UHFFFAOYSA-N 430.507 3.973 0 40 IHAB CCOC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)c(C)c1 10447293 AJWLJMNAAVXGMJ-UHFFFAOYSA-N 430.526 3.517 0 40 IHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1 10815214 NKIPNRURUFRWJI-UHFFFAOYSA-N 443.613 3.941 0 40 IHAB O=C(CNc1ccc(OC(F)F)c(Cl)c1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 11267007 TWUKTNOCNZSYCP-OAHLLOKOSA-N 444.887 3.574 0 40 IHAB Cc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)n(C(C)C)n1 11695187 CAWWUCICJNNSSG-UHFFFAOYSA-N 426.542 3.845 0 40 IHAB O=C(Cn1c(=O)n(Cc2cccs2)c2ncccc21)N1CCC[C@H](c2ccccc2)C1 12117484 FPNWSEBEUYYDSV-IBGZPJMESA-N 432.549 3.714 0 40 IHAB CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)c4cc(C5CC5)n[nH]4)C3)cc2n1 12221275 SVBAFBTYYJOYJO-CYBMUJFWSA-N 432.450 3.931 0 40 IHAB Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3C)oc2NCCN2CCOCC2)cc1 12419187 GEVWZLYKTTXMQC-UHFFFAOYSA-N 441.553 3.535 0 40 IHAB COc1cc(OC)cc([C@@H](NC(=O)Cc2cccc(C(F)(F)F)c2)c2nccn2C)c1 12550931 KMELXHBRRMEQLK-HXUWFJFHSA-N 433.430 3.904 0 40 IHAB O=C(c1ccccc1Oc1ccccc1)N1CCN(S(=O)(=O)c2cccs2)CC1 12683427 MCLFSEXEYOJGPM-UHFFFAOYSA-N 428.535 3.687 0 40 IHAB O=C(CCCn1c(=O)oc2ccccc21)NCCNc1ncc(C(F)(F)F)cc1Cl 12849595 SWUPANIUMKYAME-UHFFFAOYSA-N 442.825 3.670 0 40 IHAB COc1ccc(/C=C/C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)cc1 13149548 CKPCOHGWSQIBHD-MDWZMJQESA-N 430.526 3.530 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)N(C)c2ccccc2)c2ccccc2OC)cc1 13673608 KNGQXKRRIAWXMF-UHFFFAOYSA-N 440.521 3.562 0 40 IHAB COc1cccc(CN(CCCN2CCOCC2)C(=S)Nc2ccccc2)c1OC 13727534 WHGCSWKFBSDNPS-UHFFFAOYSA-N 429.586 3.625 0 40 IHAB CCCc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 13948159 BMEPNOPJTZXUNL-UHFFFAOYSA-N 437.568 3.697 0 40 IHAB O=C(CN[C@H](c1ccccc1)c1cccs1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 14197846 BABRYUNQKRUTIO-NFBKMPQASA-N 440.590 3.647 0 40 IHAB Cc1nn(CCCNS(=O)(=O)c2cc(Cl)ccc2Cl)c(C)c1Br 14247444 XJOSGVQHECRUOA-UHFFFAOYSA-N 441.178 3.938 0 40 IHAB COc1cccc(-c2nnc(SCC(=O)N(CCC#N)c3ccc(F)cc3)n2C)c1 15517136 BASBGPXPYLOCEL-UHFFFAOYSA-N 425.489 3.669 0 40 IHAB COc1ccc(S(=O)(=O)[C@@H](CNC(=O)c2c(F)cccc2F)c2cccs2)cc1 15780807 IAUPAJNNMRHPPH-SFHVURJKSA-N 437.489 3.980 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)NCCc2csc3nc(-c4cccc(F)c4)nn23)c1 15784005 GETLTCUUXNZSRB-UHFFFAOYSA-N 430.530 3.735 0 40 IHAB CC(C)OC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccc(Br)cc1 15944888 NCKMGIIRMQIDBY-SXGWCWSVSA-N 432.270 3.900 0 40 IHAB CN(CCOc1ccccc1F)C(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 16112840 OOXKJFMIDVWGAK-UHFFFAOYSA-N 448.560 3.930 0 40 IHAB O=C(CN1CCC(c2n[nH]c(-c3ccc(Cl)cc3)n2)CC1)Nc1ccc2c(c1)OCO2 19336932 JYXFCNJXJGEUBJ-UHFFFAOYSA-N 439.903 3.672 0 40 IHAB CCOc1ccccc1C(=O)N1CC[C@@](Cc2ccccc2-c2cccnc2)(C(N)=O)C1 19520021 CJPJXRUIDYZKAY-SANMLTNESA-N 429.520 3.708 0 40 IHAB CN1CCC(c2nc(O)cc([C@H]3CCCN(C(=O)c4csc5c4CCCC5)C3)n2)CC1 19588226 DCFLIJCRVQOHIW-KRWDZBQOSA-N 440.613 3.952 0 40 IHAB CNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)c2cccc(OC)c2)C1 19591194 REYZAGRKVVNXSN-HHHXNRCGSA-N 443.547 3.968 0 40 IHAB CNC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCCN(Cc2ccccc2OC)C1 19591315 AJKIDCOKPCKVQC-SANMLTNESA-N 430.552 3.723 0 40 IHAB Cc1nonc1CC(=O)N1CCCC[C@H]1c1nc(N(C)C)ncc1-c1cccc(Cl)c1 19694379 KXAYOSVOPUGDCM-IBGZPJMESA-N 440.935 3.851 0 40 IHAB Cc1nc([C@@H]2CCCCN2Cc2cccnc2)nc2c1CCC(=O)N2Cc1ccccn1 19695800 FEXHTFLUDUYSSF-QFIPXVFZSA-N 428.540 3.782 0 40 IHAB CCOC(=O)[C@@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@H]1c1ccc(CC)cc1 19818368 JYFICJGJWVHNNI-VXKWHMMOSA-N 435.524 3.751 0 40 IHAB O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 19857139 RZUJQKSVIHGNNF-MRXNPFEDSA-N 426.460 3.886 0 40 IHAB Cc1cccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(F)cc2)c1C 20007730 SGOQBRQNDYBOMO-JOCHJYFZSA-N 426.513 3.971 0 40 IHAB COc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(O)c(OC)c2)N(c2ccccn2)C3=O)cc1 20730069 YLDGTXWPZIIWID-HSZRJFAPSA-N 428.448 3.944 0 40 IHAB Cc1ccc(-c2csc3ncc(C(=O)N4CCN(c5ccc(F)cc5)CC4)c(=O)n23)cc1 20768198 YRWNGEYVZQDQJS-UHFFFAOYSA-N 448.523 3.833 0 40 IHAB CC[C@H](C)Oc1cccc(C(=O)NC(=S)Nc2ccc(CN3CCOCC3)cc2)c1 22485799 LLVHXOMAJVIRAN-KRWDZBQOSA-N 427.570 3.823 0 40 IHAB O=C(CSCc1cc(=O)n2ccsc2n1)N(Cc1c(F)cccc1Cl)C1CC1 26939648 WJQRNZYUKJTLFI-UHFFFAOYSA-N 437.949 3.973 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1nc(CN2CCC[C@H](C)C2)cs1 28677935 LGAZXYAGAFCMSK-HNNXBMFYSA-N 437.569 3.999 0 40 IHAB CS(=O)(=O)N1CCCc2cc(C(=O)CSc3ccc(C(F)(F)F)cn3)ccc21 31743336 KFDZHZQJMPFVRI-UHFFFAOYSA-N 430.473 3.788 0 40 IHAB O=C(CSc1nccc(C(F)(F)F)n1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 32903201 MDYTUXFFXLCJMZ-ZDUSSCGKSA-N 425.432 3.722 0 40 IHAB CCCCc1ccc(N2C[C@H](C(=O)Nc3ccc(N4CCC(O)CC4)cc3)CC2=O)cc1 32913506 RVXKHJFZSRNAJN-HXUWFJFHSA-N 435.568 3.982 0 40 IHAB CCOC(=O)c1cc(NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)ccc1Cl 38754286 OSPCSRNUXVVAOM-UHFFFAOYSA-N 438.933 3.538 0 40 IHAB COCc1nn2c(nnc3c(=O)n(CCc4ccccc4OC)ccc32)c1-c1ccccc1 40391159 NKYOKARRFQOTMF-UHFFFAOYSA-N 441.491 3.504 0 40 IHAB Cc1cc(Br)ccc1NC(=O)Cn1c(=O)n(CC(C)C)c(=O)c2ccccc21 40478623 VOEOEWRRSPKVGU-UHFFFAOYSA-N 444.329 3.529 0 40 IHAB Cc1c(NC(=O)c2cc3sccc3n2Cc2ccc(Cl)cc2)c(C(N)=O)nn1C 44890316 CQRMQYPVLKVVGO-UHFFFAOYSA-N 427.917 3.798 0 40 IHAB O=C(CN1CN(c2cccc(F)c2)c2ncccc2S1(=O)=O)Nc1cccc(Cl)c1 49411524 BEYCDFWYSZVBDV-UHFFFAOYSA-N 446.891 3.613 0 40 IHAB O=C(Cn1cccc1-c1nc(-c2ccc3c(c2)OCO3)no1)NCc1ccc(F)cc1F 57487110 MJLJBQXHZIXQOR-UHFFFAOYSA-N 438.390 3.528 0 40 IHAB CCCc1nc2c3cc(OC)c(OC)cc3n(CC(=O)c3ccc(Cl)cc3)c(=O)n2n1 65535073 ZXKKWZUMHHWKGU-UHFFFAOYSA-N 440.887 3.550 0 40 IHAB CC(=O)NCCCCCC(=O)Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1 71913699 JARJJEDNMXVTMB-UHFFFAOYSA-N 430.932 3.914 0 40 IHAB CCN1CCN(C(=O)Cc2ccccc2OC)[C@H](Cc2cccc(-c3ccncc3)c2)C1=O 72351689 FVOMXYREZOXMCZ-XMMPIXPASA-N 443.547 3.602 0 40 IHAB COC(=O)c1nc(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)sc1CC(C)C 72401906 NFADQHVWSRLXNQ-UHFFFAOYSA-N 430.482 3.561 0 40 IHAB biogenic COc1ccccc1NC(=O)c1c(NS(=O)(=O)c2cccc(Cl)c2C)n[nH]c1C 84041182 YKCYTXDOELISPB-UHFFFAOYSA-N 434.905 3.742 0 40 IHAB Cc1c(COC(C)C)cccc1NC(=O)N1CCN(C)C[C@@H]1CNC(=O)OC(C)(C)C 84041334 VJJOQNLYGILKBW-IBGZPJMESA-N 434.581 3.593 0 40 IHAB CNC(=O)Cn1c(=O)n(C2CCN([C@@H]3Cc4cccc5cccc3c45)CC2)c2ccccc21 84741563 PJANMOWVUZBDQF-XMMPIXPASA-N 440.547 3.637 0 40 IHAB O=C(NC[C@@H]1CCCN2CCCC[C@H]12)c1ccc(NC(=O)c2ccc(Cl)nc2)cc1 85879480 YHYBAOJYCJJWPR-FXAWDEMLSA-N 426.948 3.982 0 40 IHAB biogenic COC(=O)c1ccc(CCC(=O)Nc2c(C)cnn2[C@@H]2CCN(Cc3ccccc3)C2)cc1 89702554 OBIXQJJAHHPBNQ-HSZRJFAPSA-N 446.551 3.996 0 40 IHAB Cc1nc2c3ccc(Br)cc3nn2c(C)c1CC(=O)NCCc1ccccn1 95477078 AQZLAVVPLPTEFY-UHFFFAOYSA-N 438.329 3.558 0 40 IHAB CCN(CC)C(=O)c1cnc(C(C)C)nc1[C@H]1CC[C@H](CNC(=O)[C@H]2CCCO2)CC1 100205693 HEIBZSSQUYWOID-WSTZPKSXSA-N 430.593 3.651 0 40 IHAB Cc1noc(C)c1C(=O)NC[C@H]1CC[C@H]([C@@H](NC(=O)C2CCC2)c2nccs2)CC1 100223466 HMQJJKWCMHFEMQ-JTDSTZFVSA-N 430.574 3.942 0 40 IHAB COc1ccc2c(c1)[C@@H]1C[C@@](C)(O2)N(C)C(=O)[C@H]1S(=O)(=O)c1ccc(C(C)(C)C)cc1 100893742 OIZIOMXXIWTNIG-ZCVJKFOLSA-N 443.565 3.890 0 40 IHAB Cc1cc2c(c(O)c1-c1c(C)cc3c(c1O)C(=O)[C@H](O)[C@@H]3C(C)C)C(=O)[C@H](O)[C@H]2C(C)C 101224491 QNSJPNOLAYAJEG-XKFBCCIWSA-N 438.520 3.975 0 40 IHAB CCOc1ccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)C(=O)c2ccccc2)cc1 102091545 JAYOWXMHJKMQHD-SJUWYAIISA-N 442.515 3.743 0 40 IHAB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3CC4)c2C(N)=O)C1 102335172 WMSULPLDRZCYDX-HNKZQRQQSA-N 430.570 3.850 0 40 IHAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]3CC[C@]2(O)[C@@H](C)OC(C)=O)C1 123406757 YSWRIYFDFKLCHS-XDPIBSDWSA-N 436.589 3.614 0 40 IHAB CCC(=O)Nc1ccc(S(=O)(=O)NCc2ccc([C@H](O)c3ccco3)s2)c(C)c1 206686437 ALKHOIMNVKABLV-HXUWFJFHSA-N 434.539 3.558 0 40 IHAB CCOc1ccccc1CCCNC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 219703479 XPFFVZDNQPSCDK-UHFFFAOYSA-N 440.565 3.608 0 40 IHAB CCOc1ccc(CNC(=O)[C@H](C)N(c2ccc(CC)cc2)S(C)(=O)=O)cc1OCC 220281955 PQGBDFGVOLQIRX-KRWDZBQOSA-N 448.585 3.517 0 40 IHAB CC[C@@H](C(=O)NCCCc1ccc(F)cc1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O 222509546 SOBQBPIDRQQYJJ-IBGZPJMESA-N 444.931 3.912 0 40 IHAB CCOc1cccc(CNC(=O)[C@@H](CC)N(c2ccc(F)c(Cl)c2)S(C)(=O)=O)c1 222510951 OIHOOTXMPFTFDR-LJQANCHMSA-N 442.940 3.739 0 40 IHAB CC[C@@H](C(=O)NCc1cccc2ccccc12)N(c1cccc(OC)c1)S(C)(=O)=O 222884561 OROODOIYYHLINT-QFIPXVFZSA-N 426.538 3.709 0 40 IHAB CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2C(=O)O)o1 223284421 MPMFQGWCYIWSGU-RTWAWAEBSA-N 436.537 3.574 0 40 IHAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccccc1OC 223284437 WCLWXQNMWKQLTN-KRWDZBQOSA-N 439.339 3.934 0 40 IHAB O=C(NCCCSCc1ccccc1F)c1cccc(N2CCCCS2(=O)=O)c1 224390758 PJHUUTMAPDTWGX-UHFFFAOYSA-N 436.574 3.809 0 40 IHAB Cc1ccccc1OCCNC(=O)CCCN(c1ccc(C(C)C)cc1)S(C)(=O)=O 224664757 AMNNVAKARKMUPT-UHFFFAOYSA-N 432.586 3.860 0 40 IHAB Cc1ccc(N(CCCC(=O)Nc2nnc(SCC(C)C)s2)S(C)(=O)=O)cc1 224669315 FYFDSXCEMCATDD-UHFFFAOYSA-N 442.632 3.780 0 40 IHAB COc1ccc(OCC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC2CCCCC2)cc1 224978839 DZHJCKSQVCGJEV-FQEVSTJZSA-N 438.568 3.983 0 40 IHAB CC[C@@H](NC(=O)CCc1cc(S(=O)(=O)N2CCCC2)ccc1OC)c1ccccc1C 225419554 NPIAOVUZPUHOLO-JOCHJYFZSA-N 444.597 3.988 0 40 IHAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)n1C 225609151 LKKJMNYAQUGYEW-VXKWHMMOSA-N 437.544 3.869 0 40 IHAB CS(=O)(=O)N[C@@H](CC(=O)Nc1ccc(Br)cc1)c1ccc(Cl)cc1 225950964 LHJLKQRZCMWXFX-HNNXBMFYSA-N 431.739 3.722 0 40 IHAB Cc1cc(C)n(CC(=O)N2CCCC[C@@H]2c2ncc(Cc3ccc(Cl)cc3)o2)c(=O)n1 257215407 CPZBQKHSPSESPD-HXUWFJFHSA-N 440.931 3.846 0 40 IHAB CC[C@H](Oc1cccc(OC)c1)C(=O)N1CCC(c2cncc(Nc3cnccn3)n2)CC1 257234200 GSOBZNUQDDVROF-NRFANRHFSA-N 448.527 3.582 0 40 IHAB COCCOc1ccc(CN2CCC[C@H](c3n[nH]cc3C(=O)N3CCCCCC3)C2)cc1 257241228 HXFKGXAJRHGRLT-NRFANRHFSA-N 440.588 3.831 0 40 IHAB COc1ccc(CNC(=O)CN2CCC[C@@](COc3ccc(C)cc3)(OC)CC2)cc1 257241310 HXPIMUKOYVIORS-RUZDIDTESA-N 426.557 3.570 0 40 IHAB Cc1ccccc1-c1ccccc1CC1(C(N)=O)CCN(C(=O)Cc2cccnc2)CC1 257292144 QKERASYPIGUWIB-UHFFFAOYSA-N 427.548 3.936 0 40 IHAB O=C(CCc1nc2ccccc2[nH]1)N1CCO[C@H](c2cncc(-c3cccc(F)c3)n2)C1 257327768 XCPUACOROIAUKX-QFIPXVFZSA-N 431.471 3.692 0 40 IHAB COC[C@H](C)NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 408602963 DKSHYMRDPAVZRH-AWEZNQCLSA-N 445.368 3.648 0 40 IHAB COc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(C(C)C)ccc3OC)C2)c1 408701354 WPTCDTBRDDCXMG-GOSISDBHSA-N 446.569 3.867 0 40 IHAB CC(C)(C)NS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(Cl)cc2Cl)cc1 409191914 QGBXSVBOGCRLRT-UHFFFAOYSA-N 445.368 3.765 0 40 IHAB O=c1c2sccc2nc(SCc2ccncc2Cl)n1CCCN1CCOCC1 505525548 FKUCVCNDQMXJJM-UHFFFAOYSA-N 436.990 3.521 0 40 IHAB O=C(CCC(=O)N1CC[C@@H](Oc2ncc(Br)cn2)C1)c1ccc(Cl)cc1 585147187 WGGCHMAHUOALMO-OAHLLOKOSA-N 438.709 3.535 0 40 IHAB C=CC(=O)Nc1ccc(C(=O)N2CCN(C(=O)Nc3ccc(C)c(Cl)c3)CC2)cc1 1291624256 LGAIBXMNQCJOQQ-UHFFFAOYSA-N 426.904 3.763 0 40 IHAB C[C@H](NC(=O)C[C@@H](NC(N)=O)c1cccs1)c1nc2cc(Cl)c(Cl)cc2[nH]1 1641158662 UOHBDHDWTSMTAB-ISVAXAHUSA-N 426.329 3.908 0 40 IHAB CCc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 957184 JVWIQILKGJETDP-UHFFFAOYSA-N 428.444 3.845 0 40 IHAB O=C(CSc1nc2c(c(=O)n1-c1ccc(F)cc1)SCC2)Nc1cccc(F)c1 2459493 BNRGPMMWDPGNBT-UHFFFAOYSA-N 431.489 3.890 0 40 IHAB CCOC(=O)c1c(NC(=O)COC(=O)c2cc(Cl)c(N)cc2OC)sc(C)c1C 3250021 NKMLONLEMPVWOB-UHFFFAOYSA-N 440.905 3.581 0 40 IHAB CN(C)C(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)cc1 3356837 SIOCSIZTFBYQOE-UHFFFAOYSA-N 429.933 3.568 0 40 IHAB COc1cccc(C(=O)Nc2c3c(nn2-c2cccc(C)c2C)C[S@@](=O)C3)c1OC 4211051 XUOYDNCHZBPNIY-SSEXGKCCSA-N 425.510 3.521 0 40 IHAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)COC(=O)C2CCC(C(C)(C)C)CC2)c1 8680887 KZCQGVGHKOBEKS-UHFFFAOYSA-N 433.501 3.594 0 40 IHAB aggregator O=S(=O)(c1ccc(SCc2cc(Cl)c3c(c2)OCCO3)nc1)N1CCCCC1 8724615 XCSXPAJOHBAZQR-UHFFFAOYSA-N 440.974 3.973 0 40 IHAB CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CC(C)C)cc1 8840871 INEQUKSQOGONKK-UHFFFAOYSA-N 429.542 3.771 0 40 IHAB Cc1nc(N2CCN(c3ccc(F)cc3)CC2)nc2c1C(=O)C[C@@H](c1ccccc1O)C2 8990489 IHZZXHYFQVOWGJ-KRWDZBQOSA-N 432.499 3.869 0 40 IHAB Cc1cccc(Cn2c(=O)c3c(nc4n3C[C@H](C)CN4c3cc(C)cc(C)c3)n(C)c2=O)c1 9087930 XNAAGRPQCDRYPP-LJQANCHMSA-N 443.551 3.658 0 40 IHAB CCn1c(SCC(=O)N2c3ccccc3C[C@@H]2C)nnc1-c1ccc2c(c1)OCCO2 9096216 DMNXFLGBSWKGJU-HNNXBMFYSA-N 436.537 3.806 0 40 IHAB C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)Nc2ccc3cn[nH]c3c2)c1 9097180 IDHICFIQNVLSLS-OAHLLOKOSA-N 432.505 3.955 0 40 IHAB CCOc1ccc([C@@H]2Nn3c(CC)nnc3S[C@H]2C(=O)Nc2ccc(OC)cc2)cc1 9197690 WYMFHUAREPBESY-VQTJNVASSA-N 439.541 3.646 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)CSc1nnc(COc2ccccc2C)o1 9198565 GSTQKELEYCZTEW-UHFFFAOYSA-N 427.482 3.865 0 40 IHAB COc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2ccccc2C)cc1Cl 9238580 MEXPRQYKFDUCBR-ZWKOTPCHSA-N 429.933 3.955 0 40 IHAB Cc1ccc(C(=O)[C@@H](C)OC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 9590942 RRJVFNWSEJPLLR-ZBFHGGJFSA-N 430.298 3.925 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1NC(=O)Cc1ccccc1F 9591008 BIYANJOYTNMUQP-UHFFFAOYSA-N 444.484 3.825 0 40 IHAB C[C@H](OC(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 9837973 SJDMITYVZYZKBT-JTQLQIEISA-N 449.834 3.946 0 40 IHAB COc1ccc(C)cc1CN(C)C(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12 9918563 OIIPYPMJHGARQJ-UHFFFAOYSA-N 441.553 3.757 0 40 IHAB COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)N2C2CCCC2)cc1 9933987 CJOWKHNQQVQTSV-OAQYLSRUSA-N 437.496 3.812 0 40 IHAB CN(C)[C@@H](CNC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O)c1ccccc1 9954329 URURFWHGSHRFQT-KRWDZBQOSA-N 438.578 3.606 0 40 IHAB Cc1nn(Cc2ccc(Br)cc2)c(C)c1S(=O)(=O)N1CCC(C)CC1 9954784 MSAILFHETYVHEV-UHFFFAOYSA-N 426.380 3.731 0 40 IHAB C[C@@H]1CCc2sc(-c3nnc(SCC(=O)Nc4sccc4C(N)=O)o3)cc2C1 10029179 LILXTGCJKYEBFE-SECBINFHSA-N 434.568 3.814 0 40 IHAB COc1ccc(-c2noc(-c3nnn(-c4cc(Cl)ccc4OC)c3C)n2)cc1OC 10273831 CNPHPYIZXUQAKO-UHFFFAOYSA-N 427.848 3.972 0 40 IHAB C[C@@H]1Cc2cc(C(=O)Nc3ccc(Br)cc3F)ccc2N1S(C)(=O)=O 10324224 JRBUWZMCSUGVSA-SNVBAGLBSA-N 427.295 3.551 0 40 IHAB CCOC(=O)c1ccc(C)c(NC(=O)CCCN(c2cc(C)ccc2C)S(C)(=O)=O)c1 10446008 PPXBYSKCQVNBPV-UHFFFAOYSA-N 446.569 3.973 0 40 IHAB CSc1nc2nc(C)c(CCC(=O)NCc3csc(-c4ccccc4)n3)c(C)n2n1 10893935 JONOZARPSHTTJU-UHFFFAOYSA-N 438.582 3.836 0 40 IHAB COc1ccc(OC)c(NC(=O)CSc2ccc(-c3ccc(OC)c(OC)c3)nn2)c1 12140446 XTUQPSBRIAVZMZ-UHFFFAOYSA-N 441.509 3.909 0 40 IHAB Cn1nc(C2CCCCC2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2CNS(=O)(=O)c1ccccc1 12602057 WAPXJQYBSOJVTR-VWPQPMDRSA-N 442.629 3.624 0 40 IHAB biogenic,in-vitro O=C(Cn1nc(-c2ccc3c(c2)OCCO3)ccc1=O)Nc1ccccc1-c1ccccc1 12881465 HDJLULLNPFMDQY-UHFFFAOYSA-N 439.471 3.987 0 40 IHAB Nn1c(COc2ccccc2F)nnc1S[C@@H](C(=O)N1CCCCC1)c1ccccc1 14093490 PGSVDWMTYQKJPJ-HXUWFJFHSA-N 441.532 3.556 0 40 IHAB CN(CC(=O)Nc1ccccc1Br)C(=O)CSc1cc(F)ccc1F 14198461 YSWUJNUFRODEQC-UHFFFAOYSA-N 429.286 3.917 0 40 IHAB COc1ccc(OC)c([C@@H]2CCCN2CC(=O)Nc2cc(Cl)ccc2-n2cncn2)c1 15518421 HUFHEAFSAFLGMA-IBGZPJMESA-N 441.919 3.714 0 40 IHAB COCCn1ccc2c(OCC(=O)Nc3ccc(OC(F)(F)F)cc3)cccc2c1=O 16689941 WJMMVIIIXFCJPS-UHFFFAOYSA-N 436.386 3.564 0 40 IHAB Cc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)NC(c3ccccc3)c3ccccc3)c2C)n1 16849663 MVOZZDLERUOKFT-UHFFFAOYSA-N 441.535 3.719 0 40 IHAB COC(=O)[C@]1(c2ccccc2)N[C@H](c2ccccc2C)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 19237024 SVOQZGUANHTOFH-IILZIBOQSA-N 440.499 3.514 0 40 IHAB CNc1cc([C@@H]2CCCN(C(=O)c3cc(OC)ccc3OC)C2)nc(-c2cccnc2)n1 19592179 VCNKMRSOWNTTFG-QGZVFWFLSA-N 433.512 3.617 0 40 IHAB CN(C)c1ncc(-c2ccc(F)cc2)c([C@@H]2CCCCN2CC(=O)NCc2ccccn2)n1 19694329 QPXRKWREDVUTGY-QFIPXVFZSA-N 448.546 3.587 0 40 IHAB Cc1nc([C@H]2CCCCN2Cc2ccc(OCc3c(C)noc3C)cc2)ncc1C(N)=O 19764489 RRPQNGHIEZMLJE-JOCHJYFZSA-N 435.528 3.795 0 40 IHAB COC(=O)c1c(C)nc2ccn(-c3ccc4c(c3)OCCO4)c(=O)c2c1-c1ccccc1 19962832 OBGUAUJIQVSRBD-UHFFFAOYSA-N 428.444 3.919 0 40 IHAB COc1ccccc1[C@H](C)NC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1 20018761 MXWNRZSYERIKJX-KRWDZBQOSA-N 446.569 3.562 0 40 IHAB Cc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1S(=O)(=O)N1CCCCCC1 20970499 BIEBUDGWBRPZNS-UHFFFAOYSA-N 430.526 3.583 0 40 IHAB C[C@H](NC(=O)CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O)c1ccccc1Cl 21329076 UDZFRTMLKIWKMH-NPMXOYFQSA-N 425.916 3.691 0 40 IHAB O=C(CCn1cnc2sccc2c1=O)N(Cc1ccc2c(c1)OCO2)C1CCCC1 21440852 XKFLBSKQFWTOLB-UHFFFAOYSA-N 425.510 3.548 0 40 IHAB COCc1nnc(NC(=O)COc2ccccc2-c2nc(-c3ccccc3C)no2)s1 21524748 JIJWGFKQRFXIPE-UHFFFAOYSA-N 437.481 3.727 0 40 IHAB CCC[C@@H](C)NC(=O)c1cc(OC)c(OC)cc1N(Cc1ccccc1)S(C)(=O)=O 22253683 PXCFVDZJGNFUBA-MRXNPFEDSA-N 434.558 3.588 0 40 IHAB CCOc1ccccc1N(CC(=O)N[C@@H]1CC(C)(C)Oc2ccc(C)cc21)S(C)(=O)=O 22333035 QNSAQJAWDYOJNB-GOSISDBHSA-N 446.569 3.578 0 40 IHAB COc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)N2CCc3ccccc3C2)cc1F 22767495 ZIHLYGQBHAAIMR-NRFANRHFSA-N 446.569 3.974 0 40 IHAB CCCNC(=O)Cn1nc2c(c1NC(=O)C(c1ccccc1)c1ccccc1)CSC2 23138775 UZSKMQWIULWXJR-UHFFFAOYSA-N 434.565 3.927 0 40 IHAB COc1ccc(OC[C@H](O)CN(C(=O)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 28403790 CHOZKLUTVJBLLF-HXUWFJFHSA-N 437.492 3.799 0 40 IHAB Cc1ccc2c(c1)C(=O)N(CCCC(=O)N1CCC[C@@H]1c1ccc3c(c1)OCCCO3)C2=O 29797644 OAVNRKQOPIAETF-OAQYLSRUSA-N 448.519 3.896 0 40 IHAB Cc1ccc(-c2noc(CN3CCN(C(=O)c4ccccc4OC(F)F)CC3)n2)cc1 30265137 SEMLZKAPJINWQM-UHFFFAOYSA-N 428.439 3.604 0 40 IHAB COC(=O)c1ccc(C)c(S(=O)(=O)NCc2ccc(COCc3ccccc3)cc2)c1 32441808 XYVFTRFCIUDDPR-UHFFFAOYSA-N 439.533 3.977 0 40 IHAB COc1ccc(CNC(=O)N(Cc2ccc(Cl)cc2)S(=O)(=O)c2cccnc2)cc1 32616651 TZFPKFFHBZDBBS-UHFFFAOYSA-N 445.928 3.844 0 40 IHAB Cc1c(C(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)cnn1-c1ccc(O)nn1 32754686 YHWGFTVDAAHAHD-HXUWFJFHSA-N 438.491 3.720 0 40 IHAB COc1ccc(NC(=O)[C@H](NC2CCN(C(=O)c3ccco3)CC2)c2ccccc2)cc1 32899565 RKMHQEGGEDDRMP-HSZRJFAPSA-N 433.508 3.862 0 40 IHAB CCOc1ccc(NC(=O)c2cc(-c3cccs3)n([C@H]3CCS(=O)(=O)C3)n2)cc1 33325460 SNTSMQGCBIHEPS-HNNXBMFYSA-N 431.539 3.622 0 40 IHAB CCN(CC(=O)N1CCc2ccccc2C1)S(=O)(=O)c1cc(Cl)ccc1Cl 39985442 WOCUXWYXWWNTQI-UHFFFAOYSA-N 427.353 3.589 0 40 IHAB O=C(N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)c1cc(=O)c2ccccc2o1 40107818 FLJVMOZLQOASQK-KRWDZBQOSA-N 444.409 3.905 0 40 IHAB O=C(CN1CCN(c2nccs2)CC1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 57292108 WRZBQTAFQBLYFO-UHFFFAOYSA-N 438.397 3.941 0 40 IHAB CC(=O)c1ccc(NC(=O)Cn2c(=O)n(-c3cc(C)ccc3C)c(=O)c3sccc32)cc1 57492695 TVBMZDBEIPDNEB-UHFFFAOYSA-N 447.516 3.672 0 40 IHAB C[C@H](CN(C)c1ccccc1)NC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O 57984692 KBMPILOGGDUZDQ-OAHLLOKOSA-N 438.578 3.828 0 40 IHAB O=C(CCn1c(=O)oc2ccccc21)NCc1cccc(NC(=O)Nc2ccccc2)c1 58230461 GLMHXUUSWYSUQK-UHFFFAOYSA-N 430.464 3.945 0 40 IHAB Cc1nc(NC(=O)CC(=O)Nc2ccc(Br)c(C)n2)ccc1Br 62701863 QPCGOHZGUJBQKQ-UHFFFAOYSA-N 442.111 3.586 0 40 IHAB CC(=O)c1cccc(NC(=O)Cn2ncn3nc(-c4cccc5ccccc45)cc3c2=O)c1 67208537 IYSVYTZCPOYIAY-UHFFFAOYSA-N 437.459 3.553 0 40 IHAB COc1cccc(-c2cc3c(N4CCC(C(=O)NCc5cccs5)CC4)nccn3n2)c1 67263431 UYFOHXJJBORQOO-UHFFFAOYSA-N 447.564 3.999 0 40 IHAB COc1ccc2c(c1)OC1(CCN(C(=O)c3cccc(C(F)(F)F)c3)CC1)CNC2=O 72393329 YZJSOXNTHBGLOL-UHFFFAOYSA-N 434.414 3.511 0 40 IHAB Cc1cc(=O)c(C(=O)N2c3ccccc3C[C@@H]2C(=O)OC(C)(C)C)nn1-c1ccccc1F 84072161 FPYBGTPWDCMIAN-HXUWFJFHSA-N 449.482 3.593 0 40 IHAB COc1ccc(OCC(=O)NC[C@H]2CC[C@H](c3nn(C)cc3-c3cc(C)no3)CC2)cc1 100744052 YGHAPYTZKAJGMT-HDICACEKSA-N 438.528 3.861 0 40 IHAB CCCCCOc1ccc(NC(=O)[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]32)cc1 103137734 KOTQDXOXUNHJPR-WXRGLTTHSA-N 435.517 3.591 0 40 IHAB O=C(C[C@@H]1CSc2nc3c(c(=O)n21)CCC3)N1CCCC[C@H](c2ccc(F)cc2)C1 206670431 ICXCTIACGSAUFO-FUHWJXTLSA-N 427.545 3.704 0 40 IHAB O=C1CCc2cc(S(=O)(=O)N3CCS[C@H](c4ccccc4F)CC3)cc3c2N1CC3 219165971 REHYUJBSAJWQHU-FQEVSTJZSA-N 446.569 3.530 0 40 IHAB CC[C@H](NC(=O)[C@@H](CC)N(c1cccc(C)c1)S(C)(=O)=O)c1ccc(OC)c(OC)c1 220526455 CHENSKWSQKGLIA-VQTJNVASSA-N 448.585 3.824 0 40 IHAB Cc1ccc(OCCNC(=O)CCCN(c2cc(C)ccc2C)S(C)(=O)=O)c(C)c1 224150844 ZDRUQNLWIWAPOF-UHFFFAOYSA-N 432.586 3.662 0 40 IHAB CC(C)c1ccc(N(CC(=O)Nc2nnc(-c3ccccc3)s2)S(C)(=O)=O)cc1 225030810 PLDGAAUAVOFCEV-UHFFFAOYSA-N 430.555 3.733 0 40 IHAB COc1ccc(N(C)C(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 225999087 SOXRSDXAHYJNMP-UHFFFAOYSA-N 438.549 3.858 0 40 IHAB CN(C)C(=O)C1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)c2cccnc2)CC1 257204822 AWKVAKAOUCWVSJ-UHFFFAOYSA-N 428.536 3.697 0 40 IHAB CCCc1cc(C(=O)NC[C@H]2CC[C@H](c3ccnc4nc(C(F)(F)F)nn43)CC2)no1 257246906 IWKLOXAFXFOTDL-JOCQHMNTSA-N 436.438 3.787 0 40 IHAB CCc1nnc(Nc2cccc([C@@H]3CCCN(C(=O)Cc4csc(C)n4)C3)n2)s1 257329178 XIVFFUGNLGQHRV-CQSZACIVSA-N 428.587 3.953 0 40 IHAB CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 408559868 WVEQDMYTDNQZRD-UHFFFAOYSA-N 430.448 3.801 0 40 IHAB CCN(CC)C(=O)c1ccccc1NC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 408613919 YTYPDQBKLQEIIG-UHFFFAOYSA-N 445.585 3.697 0 40 IHAB Cc1cc(NC(=O)COC(=O)c2ccccc2C(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)no1 408665990 NAUDPJYONUHYNP-OXFYSEKESA-N 442.512 4.396 0 40 IHAB CCc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCc2ccc(F)cc2)cc1 408709512 CCEPDSGLHVYAAV-UHFFFAOYSA-N 433.483 3.573 0 40 IHAB COc1ccc(C(=O)CCC(=O)Nc2ccc(I)cc2)c(OC)c1 408834338 VYQVQILOAAAXKN-UHFFFAOYSA-N 439.249 3.910 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCc2ccccc2)Cc2cccc(C)c2)cc1 409073885 UHHUVSJPPSXLGZ-UHFFFAOYSA-N 436.577 3.853 0 40 IHAB COc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)c1OC 409173397 MCEJAHJLNAMCRU-WOJGMQOQSA-N 426.494 3.996 0 40 IHAB CN(CCCN(C)C(=O)[C@@H]1CCC(=O)c2ccccc21)C(=O)[C@H]1CCC(=O)c2ccccc21 559547897 SHDRLLJRDSHEPV-ZRZAMGCNSA-N 446.547 3.814 0 40 IHAB O=C(NCc1cccnc1)[C@@H]1OC2(CCN(C(=O)c3ccccc3)CC2)c2ccccc21 585109756 PPGMINIEUSHFLQ-HSZRJFAPSA-N 427.504 3.601 0 40 IHAB Cc1nccn1CCOc1ccc(CN2CCC(O)(COc3ccc(F)cc3)CC2)cc1 585272101 FPBQTLOCZJBLGP-UHFFFAOYSA-N 439.531 3.816 0 40 IHAB Cc1cnn(CCOc2cccc(CN3CCC(O)(COc4ccccc4F)CC3)c2)c1 585272218 QYIHFIOYDXBYOK-UHFFFAOYSA-N 439.531 3.816 0 40 IHAB Cn1cc(CCNC(=O)c2ccc(N3CCCCS3(=O)=O)cc2Cl)c2ccccc21 604418578 ZKLXUBSDVIRBAB-UHFFFAOYSA-N 445.972 3.734 0 40 IHAB O=C(NCC12CC(C(=O)O)(C1)C1(CCOCC1)O2)OCC1c2ccccc2-c2ccccc21 1536221856 MASQDFZOCRZBSS-UHFFFAOYSA-N 449.503 3.708 0 40 IHAB COCCn1cc2c3c(cccc31)N=C1CN(C(C)=O)C(O)=C1[C@H]2c1ccc2c(c1)OCO2 1547212325 BZNSNNBWPYALOG-QFIPXVFZSA-N 445.475 3.866 0 40 IHAB O=C(CC1(N2Cc3ccccc3C2=O)CCCCC1)NCCc1nc(-c2ccncc2)no1 1548348267 JMCGVCZFLLPWNM-UHFFFAOYSA-N 445.523 3.539 0 40 IHAB COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N3CCCc4ccccc43)cc2c1 782638 DEVOPLIBZCXUMZ-QFIPXVFZSA-N 444.539 3.820 0 40 IHAB O=C(CNC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)OCc1ccccc1Cl 993110 GUZMUKDXUXEDBF-UHFFFAOYSA-N 448.862 3.614 0 40 IHAB COc1ccccc1C(=O)Nc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cn1 1353257 XWGCMKXEGUPRPC-UHFFFAOYSA-N 437.452 3.621 0 40 IHAB Cc1ccc2c(c1)cc(CN(Cc1ccc3c(c1)OCO3)C(=O)c1ccco1)c1nnnn12 1376982 RHCHFQCPGQAOEQ-UHFFFAOYSA-N 441.447 3.750 0 40 IHAB Cc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(Cc3ccco3)CC(=O)N21 2115922 WKXAEZOMOOQBKK-DHLKQENFSA-N 425.488 3.954 0 40 IHAB biogenic Cc1ccc(CNC(=O)CN2C(=O)NC(c3ccc(C)cc3)(c3ccc(C)cc3)C2=O)cc1 2626882 QYBPSILBLZAAPK-UHFFFAOYSA-N 441.531 3.724 0 40 IHAB O=C(CSc1nnc2c(Cl)cc(Cl)cn12)N1CCN(c2ccc(F)cc2)CC1 3356841 DDFVRBBOCVRZKC-UHFFFAOYSA-N 440.331 3.616 0 40 IHAB COc1ccc(CCN2C[C@@H](C(=O)Nc3nc4ccc(C)cc4s3)CC2=O)cc1OC 3447621 ULSGLXIIAIBIHR-INIZCTEOSA-N 439.537 3.652 0 40 IHAB CCCCn1c(SCC(=O)Nc2ccccc2C)nc2cc(S(N)(=O)=O)ccc21 6131918 ZJWGOWYXXUFARX-UHFFFAOYSA-N 432.571 3.523 0 40 IHAB COc1ccc(N(CC(=O)NCc2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 8918807 BLJRAPOKVZHSLJ-UHFFFAOYSA-N 442.512 3.654 0 40 IHAB Cc1ccc(-c2csc3ncn(CC(=O)NC(=O)NC4CCCCC4)c(=O)c23)s1 8938475 HXHRDYBMKFNJMK-UHFFFAOYSA-N 430.555 3.653 0 40 IHAB Cc1cc(C)cc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(CCc3ccccc3)c(=O)n2C)c1 9158227 MCPOZCBEAILDNA-IBGZPJMESA-N 443.551 3.544 0 40 IHAB COc1ccc(C(=O)Nc2c3c(nn2-c2cccc(C)c2C)C[S@](=O)C3)cc1OC 9413962 SYIAHCAEDNQCJD-PMERELPUSA-N 425.510 3.521 0 40 IHAB C[C@H](CCc1ccccc1)N1C(=O)NC(=O)[C@@]2(Cc3c(ccc4ccccc34)N(C)C2)C1=O 9429911 KRCJJHLFCUIPFY-CLYVBNDRSA-N 441.531 3.918 0 40 IHAB O=C(N[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C1c2ccccc2Oc2ccccc21 9630574 ZIGOEUXUOPGGSO-INIZCTEOSA-N 442.471 3.617 0 40 IHAB O=c1c(Cl)c(N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cnn1-c1nc2ccccc2[nH]1 9672287 IWGRYUUXVFQIIX-QGZVFWFLSA-N 449.898 3.875 0 40 IHAB CC(=O)Nc1cccc(NC(=O)CSc2nnc(NC(=O)NC3CCCCC3)s2)c1 9743894 YQSNAVSRMQVXDZ-UHFFFAOYSA-N 448.574 3.682 0 40 IHAB COc1cc(C)ccc1NC(=O)Cc1csc(NS(=O)(=O)c2ccc(C)cc2)n1 9828605 AOJRRGDSBLTGPD-UHFFFAOYSA-N 431.539 3.751 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(F)c(Cl)c3)C2)cc1 9974471 SWIFKRXPCXHFOY-CYBMUJFWSA-N 426.897 3.527 0 40 IHAB 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TYMPSUXZPGLRJQ-UHFFFAOYSA-N 441.937 3.731 0 40 IHAB CCOc1ccc(CCNC(=O)CSCC(=O)Nc2ccc(OC)cc2)cc1OCC 9004828 QHSOOFNMHURXQO-UHFFFAOYSA-N 446.569 3.523 0 40 IHAB C[C@H]1CCc2nc(NC(=O)C3CCN(S(=O)(=O)/C=C/c4ccccc4)CC3)sc2C1 9245331 OJBKYRQNLZKIRJ-UKYUDJEDSA-N 445.610 3.919 0 40 IHAB COc1ccccc1OCCOc1ccc(/C=c2/sc3nc4ccccc4n3c2=O)cc1 9310165 BBMJMJKTUOMMGH-XQNSMLJCSA-N 444.512 3.923 0 40 IHAB CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nc(-c4ccccn4)cs3)cc2)CC1 9445375 SOGAAWREKIKJKW-UHFFFAOYSA-N 442.566 3.878 0 40 IHAB C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N[C@H]2CCSc3ccccc32)C1=O 9460346 YEOCKYFVDYLCAW-CPJSRVTESA-N 445.544 3.960 0 40 IHAB CN(C)S(=O)(=O)c1ccc2nc(NC(=O)c3ccccc3Br)sc2c1 9472136 CXMPTBIIZWOCEZ-UHFFFAOYSA-N 440.344 3.561 0 40 IHAB CCOc1ccc(C(=O)C[C@]2(O)C(=O)N(CCOc3ccccc3)c3ccccc32)cc1 9547850 NQDGRZCQADZYQO-AREMUKBSSA-N 431.488 3.972 0 40 IHAB O=C(NC1CCCCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 9559466 LEFCQZUWTGDARH-ZDUSSCGKSA-N 449.436 3.750 0 40 IHAB COc1ccc(-n2nnnc2SCC(=O)N2CC[C@@H](C)Sc3ccccc32)cc1 9728768 RXLNXKYCUHTFRS-CQSZACIVSA-N 427.555 3.681 0 40 IHAB O=C(CCc1c[nH]c2ccccc12)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 9782005 BFWLQCJHNLRHPN-UHFFFAOYSA-N 438.487 3.627 0 40 IHAB C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)Nc2ccc(F)c(F)c2F)C1=O 9963971 SLWPUUHPOKVEHN-GOSISDBHSA-N 446.212 3.816 0 40 IHAB CCCn1c(=O)c2sccc2n2c(CCCC(=O)Nc3ccc(F)c(F)c3)nnc12 10272411 GLJFEUWKAJWBAU-UHFFFAOYSA-N 431.468 3.755 0 40 IHAB CCOc1cccc(NC(=O)[C@@H](C)N(c2cc(Cl)ccc2OC)S(C)(=O)=O)c1 10294873 DGCLCMOIUFSHGW-CYBMUJFWSA-N 426.922 3.541 0 40 IHAB COc1ccc2nc(-c3ccc(OC)c(NS(=O)(=O)c4ccccc4Cl)c3)cn2n1 11027384 NUXXNYJUPVXACB-UHFFFAOYSA-N 444.900 3.868 0 40 IHAB COCCn1c(C)c(C)c(S(=O)(=O)c2ccc(OC)cc2)c1NC(=O)c1cccs1 12406761 CALDYLDLQGLHND-UHFFFAOYSA-N 448.566 3.907 0 40 IHAB CCc1ccc2c(c1)OCCOCCOc1ccc(C(C)=O)cc1OCCOCCO2 12413477 XAPBERDWCCGPPX-UHFFFAOYSA-N 430.497 3.714 0 40 IHAB Cc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)cc1NS(C)(=O)=O 12521267 YUFRNVWDTCHPAM-IBGZPJMESA-N 435.615 3.631 0 40 IHAB Cc1ccc(NC(=O)CN(Cc2ccccc2)c2ccccc2)cc1S(=O)(=O)N(C)C 12638507 USGQJTQDMNFSMB-UHFFFAOYSA-N 437.565 3.891 0 40 IHAB O=C(Nc1ccc(N2CCOCC2)cc1)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 12809321 RZDKLNYCXVKROI-KROKWJMESA-N 437.584 3.669 0 40 IHAB O=C(CN(Cc1ccco1)C(=O)/C=C/c1ccc(C(=O)NC2CC2)cc1)Nc1ccccc1 13005057 GVKBMOOCJUGAFG-XNTDXEJSSA-N 443.503 3.853 0 40 IHAB O=S(=O)(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccccc1Cl 13059099 IRHJTTOTMLDWDB-UHFFFAOYSA-N 428.963 3.706 0 40 IHAB COc1ccc([C@H](c2nnnn2C(C)(C)C)N2CCN(c3cc(C)ccc3C)CC2)cc1 13503986 XWFOZOUNAPHUPQ-HSZRJFAPSA-N 434.588 3.965 0 40 IHAB Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1NC(=O)[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)O 17101916 AERZNFQRFULWTE-HZMVEIRTSA-N 438.311 3.672 0 40 IHAB C[C@H](Sc1cc(C(=O)NC2CC2)c2ccccc2n1)C(=O)N1CC(=O)Nc2ccccc21 17276220 ZZBFLAIVIINXRD-AWEZNQCLSA-N 446.532 3.593 0 40 IHAB COc1ccc(CC(=O)N2CCCC[C@H]2c2nc(N(C)C)ncc2-c2cc(C)no2)cc1 19121846 JMBSMJXSVWUUFI-FQEVSTJZSA-N 435.528 3.811 0 40 IHAB CCc1nn(C)c(C(=O)NCCNc2nc(-c3ccc(OC)cc3)cc3ncccc23)c1C 19521057 MEWQDAWSACMXEQ-UHFFFAOYSA-N 444.539 3.752 0 40 IHAB COc1cc(CC(=O)N2CCC[C@H](c3ccnc(-c4cccnc4)n3)C2)cc(OC)c1OC 19549632 YVICIPOVCDHLJP-IBGZPJMESA-N 448.523 3.513 0 40 IHAB Cc1noc2nc([C@@H]3CCCN(C(=O)[C@@H]4CC(=O)N(C(C)C)C4)C3)cc(C(F)(F)F)c12 19563744 LKFGIYBIPFLGJT-ZIAGYGMSSA-N 438.450 3.513 0 40 IHAB COc1c(CN2CCC[C@](Cc3ccc(-c4ccccc4)cc3)(C(N)=O)C2)c(C)nn1C 19577953 WONMOBFJAGAMQU-AREMUKBSSA-N 432.568 3.714 0 40 IHAB CN(C)C(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)c2ccccn2)C1 19579327 JCAQOUXEQKGSLU-AREMUKBSSA-N 428.536 3.697 0 40 IHAB Cc1nnc(NC(=O)[C@@H](C)Sc2ccc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)O)cc2)s1 19644912 LFKPGRILDNNERB-LYRGGWFBSA-N 446.554 3.571 0 40 IHAB CN(C)c1ncc(-c2ccc(F)cc2)c([C@@H]2CCCCN2C(=O)c2n[nH]c3c2CCC3)n1 19694293 YNEUEXMJIHSJJG-FQEVSTJZSA-N 434.519 3.928 0 40 IHAB Cc1nc(CN(C)C(=O)C(C)(C)C)nc2c1CCC(=O)N2CCc1c[nH]c2ccccc12 19698425 JMBCGUMDMPCGPH-UHFFFAOYSA-N 433.556 3.793 0 40 IHAB CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CN(C(=O)c2cc3ccccc3o2)CCO1 19703126 XZWJPJBMLGRWHP-SFHVURJKSA-N 435.505 3.958 0 40 IHAB Cc1cc(NC(=O)CN2CCC([C@@H]3CCCCN(CCc4ccccc4)C3=O)CC2)no1 19743992 RAAZVHZAJZWEOJ-QFIPXVFZSA-N 438.572 3.505 0 40 IHAB COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)cc1Cl 20006064 MRAARUNHRGVCIU-FQEVSTJZSA-N 444.940 3.877 0 40 IHAB CCCn1c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)nc2ccccc21 22691001 DNKCCNAGIQSPSQ-INIZCTEOSA-N 446.598 3.856 0 40 IHAB CCc1nc2sc([C@@H](c3ccccc3)N3CCN(Cc4ccccc4)CC3)c(O)n2n1 22854689 WSHGICQRJHTJQN-OAQYLSRUSA-N 433.581 3.966 0 40 IHAB O=S(=O)(Nc1ccc(I)cc1)c1ccc(F)c2ncccc12 24578701 FGRPQQJTSKDLTI-UHFFFAOYSA-N 428.226 3.779 0 40 IHAB O=C(CSCc1cccc(Cl)c1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 30754821 NAEKFWPNGLIAGD-UHFFFAOYSA-N 448.957 3.803 0 40 IHAB O=C(c1ccccc1CCc1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 30915855 PPJQMPUHIISYTB-UHFFFAOYSA-N 434.561 3.619 0 40 IHAB COc1cc2c(cc1OC)-c1c(c(C(=O)NC[C@@H]3CCCO3)nn1-c1ccccc1F)C2 32074711 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O=C(CSc1nc2ccsc2c(=O)n1Cc1ccc(F)cc1)NCc1ccco1 57416947 FCWPAGZFPQVUFA-UHFFFAOYSA-N 429.498 3.647 0 40 IHAB Cc1c(C(=O)NC2CCCC2)nnn1-c1cccc2c1CCN(Cc1ccccc1F)C2 69656341 KFYJXPQJAHBYHM-UHFFFAOYSA-N 433.531 3.946 0 40 IHAB Cc1ccc2c(c1)C(=O)C[C@@]1(CCC(=O)N([C@H](C)C(=O)NC3CCC(C)CC3)CC1)O2 72328066 WZSFLVCHJWDJJY-HCPYBXDCSA-N 426.557 3.795 0 40 IHAB COc1ccc(C(=O)N2CCC[C@H]2c2nc(N(C)C)ncc2-c2ccncc2C)c(OC)c1 72341476 COOYIXSYOYPIGG-NRFANRHFSA-N 447.539 3.908 0 40 IHAB COc1cccc(C(=O)N2CCN(C)C(=O)[C@@H]2Cc2ccccc2-c2ccccc2OC)c1 72351474 BZLHWDPNQGFQOJ-DEOSSOPVSA-N 444.531 3.896 0 40 IHAB O=C(NCCN1CCC(c2cccs2)CC1)C(=O)Nc1ccccc1C(F)(F)F 77104317 JDKQZRBNMNIYCM-UHFFFAOYSA-N 425.476 3.701 0 40 IHAB CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(Cl)c(N2CCNC2=O)c1 95418679 WMSMQOYMCAPENW-GOSISDBHSA-N 443.931 3.552 0 40 IHAB C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3ccc(F)c(Cl)c3F)cc2)C[C@@H](C)O1 95986357 XOYSQKOOTCOMOP-TXEJJXNPSA-N 444.887 3.668 0 40 IHAB CCOC(=O)c1sc2[nH]c(/C(=C\c3ccccc3F)SCC(=O)O)nc(=O)c2c1C 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Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN(C)C)c(C)n1Cc1cccnc1 223214413 KSJOLIBERDZLRV-DNQXCXABSA-N 448.640 3.867 0 40 IHAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(F)cc1 223627440 WSYICPCWNFWYJI-NRFANRHFSA-N 430.520 3.935 0 40 IHAB CCOc1ccc(CNC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3F)c2)cc1 224159270 LMRATNJEWRFCBW-UHFFFAOYSA-N 442.512 3.980 0 40 IHAB CN(c1ccc(C(=O)NCCOc2ccccc2Cl)cc1)S(=O)(=O)c1ccccc1 224180874 PSBCKGXNCMAHKA-UHFFFAOYSA-N 444.940 3.974 0 40 IHAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC 224240850 XDKFKBJBIDAKHR-NRFANRHFSA-N 425.481 3.935 0 40 IHAB CSc1ccc(S(=O)(=O)NCCOc2cccc(C)c2)cc1C(=O)N1CCCCC1 224320912 QZGRSAPCXVJWRA-UHFFFAOYSA-N 448.610 3.700 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(Br)c(Cl)c2)cc1C 224654261 RWNQIDQZFSPEED-UHFFFAOYSA-N 448.722 3.699 0 40 IHAB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(C)c2C)cc1 225211907 VTJRKWUVVVKDMA-PKTZIBPZSA-N 449.580 3.799 0 40 IHAB COc1ccccc1NC(=O)CCc1nc(-c2ccc(I)cc2)no1 225838824 CEGLMCPBXFKUAF-UHFFFAOYSA-N 449.248 3.921 0 40 IHAB C[C@@H]1CC[C@@H]2N(C[C@@H]3[C@H](CC[C@H]4[C@@H]5CC(=O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]43)[C@]2(C)O)C1 247643281 IQDIERHFZVCNRZ-JQPZYHRRSA-N 429.645 3.886 0 40 IHAB biogenic CCOC[C@]1(C(N)=S)[C@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 252516476 SSTZKBZTJDEKRK-LMMKCTJWSA-N 427.950 3.728 0 40 IHAB CC(C)(NC(=O)COc1ccccc1)C(=O)N1CCC[C@@H]1c1ccnc(-c2ccccc2)n1 257216219 CTPIKHALOIGNQT-JOCHJYFZSA-N 444.535 3.781 0 40 IHAB COc1ccc(Nc2cc(C)nc([C@H]3CCN(S(=O)(=O)c4c(C)n[nH]c4C)C3)c2)cc1 257265302 LYCLMTJOWAHYAI-KRWDZBQOSA-N 441.557 3.660 0 40 IHAB CCc1nnc(Nc2cc(C)nc([C@H]3CN(C(=O)c4scnc4C)CCO3)c2)s1 257321663 WCQGAJSGMLPCKU-OAHLLOKOSA-N 430.559 3.526 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)NC[C@H](C)c2ccccc2)c2ccccc2)cc1 260796169 YCNHXRRDJBXYCP-IBGZPJMESA-N 438.549 3.810 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](C)COc3ccc(C)c(C)c3)C2)cc1 260890377 CVUBMZYKFVHIFE-NHCUHLMSSA-N 444.597 3.596 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2)Cc2ccccc2)cc1 408625769 WYOXXDCTYSREIA-UHFFFAOYSA-N 438.549 3.593 0 40 IHAB CCOC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccccc2Cl)cc1 408664741 JVZJKQIOEZNXQG-UHFFFAOYSA-N 446.887 3.807 0 40 IHAB O=C(Nc1ccc(Cl)c(Br)c1)[C@@H]1C[C@H](O)CN1C(=O)Oc1ccccc1 408996868 BFBFDNIQARZYBH-LRDDRELGSA-N 439.693 3.675 0 40 IHAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(CNC(=O)c2ccccc2C)n1C 409054976 OTGUMWIXYGFSMY-UHFFFAOYSA-N 443.960 3.746 0 40 IHAB Cc1cc(C)cc(OC[C@@]2(O)CN(C[C@]3(O)CC[C@@H](c4ccccc4)CC3)CC[C@@H]2O)c1 585287649 PZGZHVSJZPZPCA-HDLKCZAISA-N 439.596 3.569 0 40 IHAB C[C@@]1(c2cccc(C(=O)Nc3ccc(Cl)cc3[C@H](O)c3ccccc3)c2)NC(=O)NC1=O 1627842307 KQBTUYBSTKKUGR-YKSBVNFPSA-N 449.894 3.729 0 40 IHAB CC(C)c1nc(S(=O)(=O)N2CCC(c3ccc4cc(C5CC5)cnc4n3)CC2)cn1C 1891010575 TWIBKBWCGPARTO-UHFFFAOYSA-N 439.585 3.932 0 40 IHAB CCOC(=O)c1c(C)nn(S(=O)(=O)c2ccc(Cl)cc2)c1NCc1ccccc1 633566 JKNBGXDVTOJVEU-UHFFFAOYSA-N 433.917 3.871 0 40 IHAB CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C)CC3)cc2)cc1 2178063 WMBORGFPEMDKDX-UHFFFAOYSA-N 426.586 3.744 0 40 IHAB CC(C)Cn1nnc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)n1 2217616 ASAYQFKCAQBPTO-CSKARUKUSA-N 430.921 3.769 0 40 IHAB COC(=O)[C@@](NNc1ccccc1)(NC(=O)c1ccc(Cl)cc1Cl)C(F)(F)F 2347376 WGVRURCMVDPVDG-INIZCTEOSA-N 436.217 3.772 0 40 IHAB COc1cccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](O)C(=O)O)c1 8700645 PCSLZQDFFWPZQG-DHIUTWEWSA-N 433.460 3.721 0 40 IHAB CCc1ccccc1NC(=O)Cc1nnc(SCC(=O)N2CCc3ccccc32)n1CC 9263714 ZEGSUNUIEZAHLI-UHFFFAOYSA-N 449.580 3.723 0 40 IHAB O=C(NC1CC1)[C@@H](Sc1nnnn1-c1ccc(OC(F)(F)F)cc1)c1ccccc1 9644659 ZBFCCXBAQZTFFN-INIZCTEOSA-N 435.431 3.673 0 40 IHAB CCOc1ccc2ccccc2c1C(=O)Nn1cnc2c(cnn2-c2ccc(C)cc2)c1=O 10251537 ZIRHADJIIKHYBD-UHFFFAOYSA-N 439.475 3.826 0 40 IHAB CCCCOc1ccc(C(=O)OCC(=O)c2cc(C)n([C@@H]3CCS(=O)(=O)C3)c2C)cc1 10285024 NBYSTQYNYZXNBQ-LJQANCHMSA-N 447.553 3.683 0 40 IHAB COc1ccc(N(CC(=O)Nc2cc(F)cc(F)c2)S(=O)(=O)c2ccccc2)cc1 10849298 RJEZLDSBMGFXFT-UHFFFAOYSA-N 432.448 3.807 0 40 IHAB COc1cc(OC)cc(C(=O)N[C@H](C(=O)OCc2cc(Cl)c3c(c2)OCO3)C(C)C)c1 11320771 VBFHJZFVYGIBAP-IBGZPJMESA-N 449.887 3.584 0 40 IHAB CCC(=O)N1CCc2cc([C@H](O)CN3CCC[C@@](O)(c4ccc(F)cc4)CC3)ccc21 12188764 IKSYYFFPOGVAQM-NOZRDPDXSA-N 426.532 3.532 0 40 IHAB CC[C@@H]1C(=O)N(c2ccc(OC)cc2)C(=O)[C@H]2C(=O)Oc3ccc(Br)cc3[C@@H]12 12419115 GJLOQGZEOGPFMP-QGTPRVQTSA-N 444.281 3.676 0 40 IHAB O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1nn(-c2ccccc2)c(=O)c2ccccc12 12786469 VWAAUBLWJBMPOR-DEOSSOPVSA-N 438.531 3.953 0 40 IHAB COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2CCN(c3ncccn3)CC2)cc1 13114586 GKQHJURIEKCKHN-UHFFFAOYSA-N 441.535 3.915 0 40 IHAB COc1ccccc1N1CCN([C@H](c2ccc(C)cc2)c2nnnn2Cc2ccco2)CC1 13505046 BKLUUOYELRJBFW-XMMPIXPASA-N 444.539 3.543 0 40 IHAB CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)c1ccc(OC)c(OC)c1 13568138 PLZLTSAWTVNAKI-UHFFFAOYSA-N 427.526 3.890 0 40 IHAB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)c1 13671642 FELKLYFCGPKZCZ-QGZVFWFLSA-N 432.542 3.582 0 40 IHAB O=C(CSc1nnnn1-c1cccc(Cl)c1)N1CCS[C@@H]1c1ccccc1F 14077872 GUNTWNKDSAJUTO-QGZVFWFLSA-N 435.937 3.821 0 40 IHAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 14247063 MMHOCJKWLDWJAV-NRFANRHFSA-N 441.553 3.666 0 40 IHAB O=C(CCc1nc2ccccc2s1)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 15099499 LYWNNMODVRKARD-UHFFFAOYSA-N 443.472 3.708 0 40 IHAB O=C(NCc1ccccc1)[C@@H](c1ccccc1F)N(C[C@@H]1CCCO1)C(=O)c1ccccn1 15935960 OCUNOQAXCJBEFB-GBXCKJPGSA-N 447.510 3.900 0 40 IHAB Cc1cc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c2ccccc2n1 16268861 MRZBXMBKPNDTKA-UHFFFAOYSA-N 446.370 3.817 0 40 IHAB COc1cccc(O[C@@H](C)C(=O)N2CC[C@H](c3cc4nc(C)cc(C(F)(F)F)n4n3)C2)c1 19116961 BQMFMQFYSRLLJQ-GJZGRUSLSA-N 448.445 3.849 0 40 IHAB CN(C)c1cc([C@H](Cc2ccccc2)NC(=O)Cc2cccnc2)nc(-c2cccnc2)n1 19584350 VTXOVMZNLMIMLF-QFIPXVFZSA-N 438.535 3.642 0 40 IHAB COc1cc(C)c(CN2CCO[C@@H](c3nccnc3-c3ccc(C(N)=O)cc3)C2)c(C)c1C 19693286 HKUZWNPOYSJKSR-HSZRJFAPSA-N 446.551 3.750 0 40 IHAB Cc1nc([C@H]2CCCCN2C(=O)c2cnn(C)c2)nc2c1CCCN2Cc1ccccc1 19706131 DVWFFZDRWIFINZ-JOCHJYFZSA-N 430.556 3.839 0 40 IHAB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)OCCOc2ccc(F)cc2)cc1 20817506 SNFPSZVQBYNNBP-UHFFFAOYSA-N 429.469 3.887 0 40 IHAB Cc1ccc(Cl)cc1N(CC(=O)NCCCc1ccccc1Cl)S(C)(=O)=O 22336869 JNQCJXSNYRXKGA-UHFFFAOYSA-N 429.369 3.817 0 40 IHAB COc1cc(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)c(OC)cc1NC(=O)c1ccccc1 23123572 RGLCVXDCMXQNBU-JOCHJYFZSA-N 446.459 3.676 0 40 IHAB O=C(Nc1cnc2ccccc2c1)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 23353601 BDUIHKHFCJCPIO-UHFFFAOYSA-N 441.417 3.546 0 40 IHAB O=C(Nc1ccc(Cl)cn1)c1cc(S(=O)(=O)N2CCCC2)ccc1Br 26859949 ULEJZGSDXWVDOO-UHFFFAOYSA-N 444.738 3.534 0 40 IHAB Cc1c(Br)c(C(F)(F)F)nn1[C@@H](C)C(=O)N1CCN(c2ccccc2)CC1 27936491 AEZSSDHMTLCIIM-ZDUSSCGKSA-N 445.283 3.883 0 40 IHAB Cc1ccccc1-c1noc(CN2CCN(Cn3nc(-c4ccccc4)[nH]c3=S)CC2)n1 31784110 HXKAYDORIJKOTF-UHFFFAOYSA-N 447.568 3.741 0 40 IHAB Cc1cc(C)c(S(=O)(=O)N2CCN(Cc3ccc(Br)cc3)CC2)c(C)c1 32652428 UUACVICJUIDUTL-UHFFFAOYSA-N 437.403 3.881 0 40 IHAB CN1C(=O)c2ccc(C(=O)NCc3cn(-c4ccccc4)nc3-c3ccccc3)cc2C1=O 32738434 BHSSWWONZGLBMQ-UHFFFAOYSA-N 436.471 3.695 0 40 IHAB CCOc1cc2c(cc1CSc1nnc(-c3cccs3)n1CC(N)=O)O[C@H](C)C2 32905722 ZMGOAZSUQCHMNY-GFCCVEGCSA-N 430.555 3.506 0 40 IHAB CC[C@H](C)Oc1ccc(Cl)cc1/C=C1\NC(=O)N(Cc2ccc(C(=O)OC)o2)C1=O 33529796 SBXLAPUJJLAENZ-KPENOIPVSA-N 432.860 3.990 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)cc1 33733197 CDQDQMNVLXDKNH-UHFFFAOYSA-N 426.494 3.822 0 40 IHAB Cc1sc(NC(=O)CN(Cc2ccccc2)C(=O)c2cccc(F)c2)c(C(N)=O)c1C 35312680 WUAAJKJYIVWDJG-UHFFFAOYSA-N 439.512 3.884 0 40 IHAB CC(C)S(=O)(=O)c1ccc(CC(=O)N2CCC(Cn3cnc4ccccc43)CC2)cc1 36708692 XEMUNBNJMHUKHI-UHFFFAOYSA-N 439.581 3.700 0 40 IHAB CCc1cc(O)nc(-n2nc(-c3ccccc3)cc2NC(=O)Nc2ccc3c(c2)OCO3)n1 44389372 WJRGPYNPFGAEOB-UHFFFAOYSA-N 444.451 3.970 0 40 IHAB CCN(C(=O)Cn1c(=O)n(CCc2ccccc2)c(=O)c2ccccc21)c1cccc(C)c1 44839465 HKUIFTDXUHSYRU-UHFFFAOYSA-N 441.531 3.767 0 40 IHAB C[C@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc(S(C)(=O)=O)cc1 44857069 ZCLAYDYXWMPHNT-QFBILLFUSA-N 434.989 3.833 0 40 IHAB CC1(C)NC(=O)N(Cc2ccc(CNC(=O)CCCCC(=O)c3ccccc3)cc2)C1=O 48285993 BDPLJUGCVGDQAC-UHFFFAOYSA-N 435.524 3.577 0 40 IHAB Cc1nn2c(=O)cc(CSc3nnc(-c4ccc(C(C)(C)C)cc4)n3C)nc2s1 48344479 TVTRABZEXZPTHQ-UHFFFAOYSA-N 426.571 3.845 0 40 IHAB CCOc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccc(C)c(C)c5)no4)ncn3n2)cc1 48986233 OHOMRGRIPYGGGF-UHFFFAOYSA-N 442.479 3.672 0 40 IHAB CCOc1ccc(NS(=O)(=O)c2n[nH]c(C)c2C(=O)Nc2ccc(CC)cc2)cc1 49003385 KBTVPMFLCHDZJT-UHFFFAOYSA-N 428.514 3.732 0 40 IHAB CCc1nnc2c(S(=O)(=O)N(Cc3ccccc3F)c3ccc(F)cc3)cccn12 49404937 MNZLDNRBDMHNRR-UHFFFAOYSA-N 428.464 3.965 0 40 IHAB O=C(NC[C@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1)c1c(F)cccc1F 56945493 HNZVIRXUGXIGKZ-HXUWFJFHSA-N 429.442 3.990 0 40 IHAB O=C(c1cccc(NCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1)N1CCCC1 57758796 WVWUCYYIIUNSER-QFIPXVFZSA-N 449.551 3.860 0 40 IHAB O=C(CNC(=O)c1ccccc1F)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 58176732 VTRLABFOQZZKBQ-UHFFFAOYSA-N 446.526 3.516 0 40 IHAB COC(=O)c1cccn1C1CCN(C(=O)/C=C/c2c(C)nn(CC(C)C)c2Cl)CC1 58325721 IIACGBQFCRVFDK-BQYQJAHWSA-N 432.952 3.966 0 40 IHAB Cc1cc(NC(=O)CSc2nc3ccsc3c(=O)n2CCc2cccs2)[nH]n1 72328296 VZCBEPPJZMWZIE-UHFFFAOYSA-N 431.568 3.525 0 40 IHAB CCOC(=O)[C@]12CCCN(Cc3ccc(F)cc3)C[C@H]1CN(Cc1cccc(C)n1)C2 96056081 VPDBVYNEWSZUHS-OFVILXPXSA-N 425.548 3.806 0 40 IHAB CC(C)CN1Cc2c(C(=O)Nc3cccc(Cl)c3)ncn2-c2ccccc2S1(=O)=O 96147365 CNYQOGBRHJVJRK-UHFFFAOYSA-N 444.944 3.938 0 40 IHAB CC(=O)c1cccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)C(=O)c2ccccc2)c1 100395596 MTRDJRREEWGBFT-QALHXSLCSA-N 440.499 3.547 0 40 IHAB CCOc1cc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccccc2)ccc1O 101144878 OSVXOABBDNRLRR-VXNXHJTFSA-N 444.487 3.838 0 40 IHAB CC(C)(C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C=Cc3ccccc3N1[C@@H]2C(=O)Nc1ccc(Cl)cc1 102797178 BMQUXFUCWHHGEN-CGXNFDGLSA-N 449.938 3.962 0 40 IHAB Cc1cn2nc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2c(N2CCSCC2)n1 169768669 VGXVZTMGYMIQTN-UHFFFAOYSA-N 437.447 3.742 0 40 IHAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H](C)N(c1cccc(F)c1)S(C)(=O)=O 220489031 FUMBSPRLRJMKAY-BEFAXECRSA-N 434.533 3.707 0 40 IHAB CC[C@@H](C(=O)Nc1ccc(OC)c(OC)c1)N(c1cc(Cl)ccc1C)S(C)(=O)=O 220710509 QWAUREZJOVCMBM-INIZCTEOSA-N 440.949 3.849 0 40 IHAB CC[C@H](C(=O)Nc1ccc(F)c(F)c1)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 220750543 QGTJXHIRLSGEDQ-MRXNPFEDSA-N 432.876 3.810 0 40 IHAB Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)N2CCOc3ccccc32)cc1 222684125 JAXJRSWVYCNKOW-UHFFFAOYSA-N 438.505 3.600 0 40 IHAB CC[C@H](C(=O)NCc1ccc2ccccc2c1)N(c1ccc(OC)cc1)S(C)(=O)=O 222808600 QGAQCBZZWZRFFJ-JOCHJYFZSA-N 426.538 3.709 0 40 IHAB CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc(C(=O)O)c2)o1 223284693 FSAVXTXNYWPRMQ-RTWAWAEBSA-N 436.537 3.574 0 40 IHAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1ccc(F)cc1 223986846 BCPRJZBTMCPZDG-JOCHJYFZSA-N 430.520 3.937 0 40 IHAB COc1ccccc1CN(C)C(=O)c1ccc(CN(C)S(=O)(=O)c2ccccc2)cc1 224415088 HRUGKPKWRQAWQM-UHFFFAOYSA-N 438.549 3.788 0 40 IHAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccccc1C(F)(F)F 225689326 LTCOIZLMABTGFE-KRWDZBQOSA-N 430.448 3.897 0 40 IHAB Cc1cc(Nc2ncccc2C)cc([C@H]2CN(CC(=O)Nc3ccc(F)cc3)CCO2)n1 257227195 FOBGYTOJLZOBKA-JOCHJYFZSA-N 435.503 3.988 0 40 IHAB COc1ccc2c(c1)c(CN1CCO[C@H](c3cccc(-c4cnc(N)nc4)n3)C1)c(C)n2C 257238341 HKNIKTOOGVXGLP-DEOSSOPVSA-N 444.539 3.503 0 40 IHAB COc1ccc(F)cc1C(=O)N1CCC2(CC1)CO[C@H]([C@@]1(C)CC[C@@H](C(C)(C)O)O1)C2 257259600 KZBNYUQZURWLCG-SXWKCWPCSA-N 435.536 3.554 0 40 IHAB Cc1nc([C@@H]2CCCN(C(=O)C3CCC3)C2)nc(C)c1CC(=O)NCc1ccc(F)cc1 257327644 XCEMZWQOOKVZBG-HXUWFJFHSA-N 438.547 3.598 0 40 IHAB CC(=O)c1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)c1 408645544 LYHQXDZNTKUWKG-AWEZNQCLSA-N 449.290 3.731 0 40 IHAB COc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1ccc(Br)cc1 408661157 BFVKJAWMEUYUSN-UHFFFAOYSA-N 449.301 3.748 0 40 IHAB Cc1cccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@@H](C)C=CC[C@H]4C3=O)cc2)c1C 408670034 WWVJAAMRJBGGPV-YBVWCTEOSA-N 446.503 3.801 0 40 IHAB O=C(NCc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 408709472 AYMBDUYRVSOEOM-UHFFFAOYSA-N 435.911 3.567 0 40 IHAB CCOc1cc(C(=S)N2CCOCC2)ccc1OCC(=O)Nc1ccccc1Cl 409226970 OCQLLNJWVFOPPG-UHFFFAOYSA-N 434.945 3.764 0 40 IHAB COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)NCc2ccco2)c(OC)c1OC 409408692 KTHDHDCGKGTBGB-ACCUITESSA-N 436.464 3.887 0 40 IHAB COc1ccc(CCNC(=O)[C@H]2CN(C)C[C@H]2c2cccc(CNC3CCCC3)c2)cc1 585262567 SYYHQKQUDAAKHR-UIOOFZCWSA-N 435.612 3.732 0 40 IHAB O=C(CN1CCC[C@H](COc2cnccn2)C1)Nc1cc(C(F)(F)F)ccc1Cl 2298130040 QJWSILLPQSEDKA-ZDUSSCGKSA-N 428.842 3.878 0 40 IHAB CCc1ccc(OCc2nnc(SCC(=O)N3CCN(c4ccccc4)CC3)o2)cc1 667463 CTQYCQLRUZDLOL-UHFFFAOYSA-N 438.553 3.652 0 40 IHAB O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CC(=O)N(c2ccc(OCc3ccccc3)cc2)C1 794306 MGDZOUYYPKUFCI-HXUWFJFHSA-N 444.487 3.664 0 40 IHAB O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O)Nc1ccccc1 950541 ZAMCZOPURUBFEC-UHFFFAOYSA-N 434.835 3.936 0 40 IHAB CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2C2CC2)cc1 1441723 KRRCNUCYJMOLBV-LJQANCHMSA-N 427.501 3.718 0 40 IHAB O=c1c(S(=O)(=O)c2ccc(F)cc2)cn(Cc2ccccc2)c2cc3c(cc12)OCO3 2691978 AHTMVXCORQPNDE-UHFFFAOYSA-N 437.448 3.750 0 40 IHAB O=C(Nc1c(F)cccc1F)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 3312948 KKLDUCLMAUAPAR-KRWDZBQOSA-N 434.489 3.781 0 40 IHAB COc1ccc(-n2nnnc2SCC(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc1 3500795 YWFPBDREUVNOAD-UHFFFAOYSA-N 438.538 3.834 0 40 IHAB O=C(COC(=O)C1CCC(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)CC1)c1ccc(Cl)cc1 8432850 PWBWMZUUULZMEX-UOVSXCDZSA-N 443.927 3.656 0 40 IHAB C[C@H]1Cc2nc(SCC(=O)NCc3ccccc3)n(Cc3ccccc3)c(=O)c2S1 8623137 PPLFMMHOSDTEFR-INIZCTEOSA-N 437.590 3.737 0 40 IHAB COc1ccccc1N(C[C@@H](O)CN1[C@@H](C)CCC[C@@H]1C)S(=O)(=O)c1ccccc1 8754140 KEEHFUFQYWCYRH-UFYCRDLUSA-N 432.586 3.514 0 40 IHAB CCOC(=O)C(=O)Nc1c(C(=O)OC)sc2nc(-c3ccccc3Cl)nc(C)c12 9050456 FLQUOEQVOMNXOK-UHFFFAOYSA-N 433.873 3.608 0 40 IHAB CCc1cc2c(=O)n(CC)c(S[C@H](C)C(=O)Nc3ccc4c(c3)OCCO4)nc2s1 9284190 RKQFSEHHLUTYAZ-GFCCVEGCSA-N 445.566 3.931 0 40 IHAB O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1cc(Cl)cc(Cl)c1 9425350 AWTQLNIWUFDSID-UHFFFAOYSA-N 449.743 3.920 0 40 IHAB CCOC(=O)CSCC(=O)N1N=C(c2cccs2)C[C@H]1c1cccc(OC)c1OC 9444053 LEVNCMDMGSBDJC-INIZCTEOSA-N 448.566 3.739 0 40 IHAB O=C(COc1ccc(C(=O)c2ccc(F)cc2)cc1)Nc1ccc(N2CCOCC2)cc1 9584141 DNLOIOSEMOCZTC-UHFFFAOYSA-N 434.467 3.911 0 40 IHAB O=C(Nc1ccc(Br)cc1F)c1ccc(S(=O)(=O)N2CCCC2)cc1 9662035 GXIOTUBCDAWRCU-UHFFFAOYSA-N 427.295 3.625 0 40 IHAB Cc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)Nc4ccc(F)cc4F)CC3)CC2=O)cc1 9668534 QEVTVEMSZGNDKY-KRWDZBQOSA-N 441.478 3.503 0 40 IHAB COc1ccc(C(=O)NC[C@H](c2cccs2)S(=O)(=O)c2ccccc2)cc1OC 9741341 CQDBVZIEQVKTNW-HXUWFJFHSA-N 431.535 3.710 0 40 IHAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 9862917 YPNFWEDYDCKPNH-LSDHHAIUSA-N 437.521 3.640 0 40 IHAB CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2C(C)C)cc1 9934034 NYBJNUTVCTZWTA-FQEVSTJZSA-N 437.496 3.746 0 40 IHAB O=C(Nc1ccc(-c2ccc(N3CCOCC3)nn2)cc1)c1ccccc1Br 10186643 WTIUOOFGOSGFOC-UHFFFAOYSA-N 439.313 3.995 0 40 IHAB O=C(Nc1nc2c(F)cc(F)cc2s1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 10756897 PUYZTODPPZWBAS-SNVBAGLBSA-N 443.522 3.675 0 40 IHAB CC(=O)c1cccc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(Cl)s2)c1 10812448 FVIWAODBVQPRFA-OAHLLOKOSA-N 426.947 3.786 0 40 IHAB Cc1ccc([C@H](NCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)c2ccccc2)cc1 12567545 HCFZGPZUQGNCMC-ILBGXUMGSA-N 440.609 3.632 0 40 IHAB CCn1c(/C(Cl)=C/c2ccccc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 12602348 XIPRTXSQKRUYMA-JXAWBTAJSA-N 431.945 3.814 0 40 IHAB CCOC(=O)N1CCN(C(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)CC1 12745137 XRXRDXZAKVZMSM-UHFFFAOYSA-N 428.876 3.700 0 40 IHAB CC(=O)c1ccc(OCC(=O)Nc2ccnn2Cc2cc(Br)cs2)cc1 12807685 ZTLHKYWPBOLGID-UHFFFAOYSA-N 434.315 3.976 0 40 IHAB Cc1nn(C)c(C)c1NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 12869319 GKWVSVDDULQARO-UHFFFAOYSA-N 446.960 3.520 0 40 IHAB O=C1NC2=C(C(=O)N(Cc3ccccc3)C2)[C@@H](c2ccc(OCc3ccccc3)cc2)N1 12879315 SACYVVOPGSHRJK-XMMPIXPASA-N 425.488 3.916 0 40 IHAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12915068 VBESFNXKBGPPER-KRWDZBQOSA-N 444.572 3.935 0 40 IHAB CC(C)[C@H](CNC(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1)N1CCOCC1 12998713 GPMXPDUZMTWNEF-DEOSSOPVSA-N 432.568 3.685 0 40 IHAB CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C2c3ccccc3Oc3ccccc32)C1=O 13114221 ILXKMEWPKVLLRJ-RUZDIDTESA-N 427.460 3.813 0 40 IHAB Cc1ccc(S(=O)(=O)N[C@H](CCOC(=O)c2ccc(O)cc2)c2ccccc2)cc1 13129405 YPBPWPPEAWOCPY-JOCHJYFZSA-N 425.506 3.967 0 40 IHAB COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccc(OC)cc2)cc1 13552988 FBYKKEJUYQCEDB-ZLNRFVROSA-N 448.450 3.894 0 40 IHAB CCOc1ccc(NC(=O)/C(=C\c2cccnc2)NC(=O)c2ccc(OC)c(OC)c2)cc1 13601740 IJKCLOPMQZIVMC-KGENOOAVSA-N 447.491 3.907 0 40 IHAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCCN3CCCC3)ccc2Cl)c1 13669083 XKUKWFFQBMQUSG-UHFFFAOYSA-N 435.977 3.665 0 40 IHAB CCOc1c(Br)cc(C(=O)Nc2ccc(CN3CCOCC3)cc2)cc1OC 14121398 AKYYHRLHLFAOKG-UHFFFAOYSA-N 449.345 3.941 0 40 IHAB Cc1ccc(Cn2ncc3c(C(=O)NCCc4ccc5c(c4)OCCO5)cc(C)nc32)cc1 14129633 YLOFUWRQJJNJOO-UHFFFAOYSA-N 442.519 3.840 0 40 IHAB CC1(C)CS(=O)(=O)N(c2cccc(C(=O)Nc3ccc(N4CCCCC4)cc3)c2)C1=O 15858677 JSCDCZJZWCRNHR-UHFFFAOYSA-N 441.553 3.632 0 40 IHAB CC(=O)Nc1ccc(NC(=O)c2ccc(N3C(=O)[C@@H]4CC(C)=C[C@H](C)[C@H]4C3=O)cc2)cc1 16034858 PADVOKDFVJTERK-ITEAAPOESA-N 431.492 3.989 0 40 IHAB CC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 16320885 BCRWYSYNMUYWJF-UHFFFAOYSA-N 428.583 3.944 0 40 IHAB CCN1CCN(c2ccc(NC(=S)NC(=O)c3ccc(OC)cc3)cc2Cl)CC1 16681572 GASCXLZTMMLDEC-UHFFFAOYSA-N 432.977 3.617 0 40 IHAB O=S(=O)(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1)c1ccccc1 17191382 FNKQEONVVNDUQP-UHFFFAOYSA-N 428.535 3.629 0 40 IHAB CC(=O)Oc1ccc(CN2CCC[C@H](c3cc(N)n4nc(-c5ccco5)cc4n3)C2)cc1 19023064 TXBFYCSYVOZTJO-SFHVURJKSA-N 431.496 3.876 0 40 IHAB CN(C)C(=O)[C@@]1(Cc2cccc(-c3cccs3)c2)CCCN(C(=O)c2cnccn2)C1 19579461 VUNDHCFUIBXSJT-XMMPIXPASA-N 434.565 3.758 0 40 IHAB COc1cc(NC(=S)NC(=O)c2ccc(C)cc2)ccc1N1C(=O)c2ccccc2C1=O 19643415 MHEVVZQFBRNOEL-UHFFFAOYSA-N 445.500 3.931 0 40 IHAB Cc1nn(C)cc1C(=O)N1CCC[C@H](c2nc(N(C)C)ncc2-c2ccc(Cl)cc2)C1 19694060 OZIHIISXGIWLKH-KRWDZBQOSA-N 438.963 3.925 0 40 IHAB CN(C)C(=O)[C@]1(Cc2cc(C3CCCCC3)no2)CCN(C(=O)Cc2ccccc2F)C1 19739067 VWDQVZIRISBVGC-VWLOTQADSA-N 441.547 3.954 0 40 IHAB O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1Cl)NCc1ccc(F)cc1 20023112 CEWOMZVETVJENC-UHFFFAOYSA-N 448.903 3.975 0 40 IHAB CS(=O)(=O)N1C[C@H](C(=O)Nc2ccccc2C(F)(F)F)Oc2ccc(Cl)cc21 20039061 SEKLFVFGQHSFCX-OAHLLOKOSA-N 434.823 3.525 0 40 IHAB COC(=O)c1ccc(NC(=O)C2=C(c3ccccc3)c3ccccc3N(C)S2(=O)=O)cc1 20063421 URLQYVUJQYKJHH-UHFFFAOYSA-N 448.500 3.651 0 40 IHAB Oc1c([C@H](c2cccc(F)c2)N2CCN(c3ccc(F)cc3)CC2)sc2ncnn12 22609600 JCXYSPQGUMALGI-SFHVURJKSA-N 427.480 3.686 0 40 IHAB COc1cc(CN(CCN2CCOCC2)Cc2cccnc2)ccc1OC1CCCC1 22931485 QAUJPUUFYVYVNT-UHFFFAOYSA-N 425.573 3.746 0 40 IHAB Cc1cc(NC(=O)[C@H](c2ccccc2)N2CCC(C(=O)Nc3ccccc3O)CC2)no1 27373853 BWIYKHDPKCWYDV-QFIPXVFZSA-N 434.496 3.719 0 40 IHAB CCCCN(C)C(=O)Cn1c([C@@H]2CC(=O)N(c3ccccc3OC)C2)nc2ccccc21 27792616 VIEAFRCCDMGIIE-GOSISDBHSA-N 434.540 3.824 0 40 IHAB COc1ccccc1N1CCN(C(=O)c2ccc(Cn3nc(C)c(Cl)c3C)o2)CC1 27981132 LFZDATZIQHAHFS-UHFFFAOYSA-N 428.920 3.766 0 40 IHAB CC(=O)Nc1ccc(F)c(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)c1 30214930 ACMWNYVONAFDDZ-GFCCVEGCSA-N 434.265 3.538 0 40 IHAB O=C(NCC(F)(F)F)c1ccc(CN(C(=O)CCc2ccc3c(c2)OCO3)C2CC2)cc1 31247609 SOPDPKIPIPQAEJ-UHFFFAOYSA-N 448.441 3.831 0 40 IHAB Cc1ccc(Oc2ccc(NC(=O)c3cc(C4CC4)nc4c3c(=O)[nH]c(=O)n4C)cc2)cc1 32061113 MJJOKNQQYZSZBQ-UHFFFAOYSA-N 442.475 3.852 0 40 IHAB CCN(CCCNC(=O)C[C@@H](NC(N)=O)c1cccc(Br)c1)c1ccccc1 32425712 XBPSWURZVCBQFP-LJQANCHMSA-N 447.377 3.581 0 40 IHAB COc1ccc(-c2cc(C(=O)N[C@H](C)Cn3nc(C)cc3C)c3c(C)nn(C)c3n2)cc1 36613342 BVQWWSQXPYNXHU-OAHLLOKOSA-N 432.528 3.584 0 40 IHAB CS(=O)(=O)Nc1nc(CC(=O)N[C@H](CCCc2ccccc2)c2ccccc2)cs1 40047354 MEVAWVVFRCHHIX-HXUWFJFHSA-N 443.594 3.938 0 40 IHAB CCc1cc(=O)[nH]c(-c2cccc(NC(=O)C3CCN(C(=O)c4ccc(F)cc4)CC3)c2)n1 40145471 JIWPAJJUUDLACD-UHFFFAOYSA-N 448.498 3.629 0 40 IHAB O=C(NCc1ccccn1)c1cccc(NC(=O)N(Cc2cccnc2)C[C@H]2CCCO2)c1 48235245 DTUKSCUQKUAQLD-HSZRJFAPSA-N 445.523 3.620 0 40 IHAB COc1ccc(N(Cc2cccc(F)c2)S(=O)(=O)c2ccc3nnc(C)n3c2)cc1 49408338 DAMWWDPJUPBWAS-UHFFFAOYSA-N 426.473 3.581 0 40 IHAB COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)[C@@H](C)N1CCN(c2ccc(F)cc2)CC1 57054107 ORYGXCSBPGCFBA-MRXNPFEDSA-N 438.503 3.551 0 40 IHAB O=C(CNC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CC2)NCc1ccco1 58099631 AYUKINRCAXOJTK-SSZFMOIBSA-N 427.460 3.954 0 40 IHAB O=C(O)[C@H]1CC(=O)N(c2ccc3nc(-c4cccc(I)c4)oc3c2)C1 70461344 WHLZPINDTCHDOT-NSHDSACASA-N 448.216 3.537 0 40 IHAB COc1ccc(C2(C(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)CCOCC2)cc1 71287818 GUDQHOBYZZFNFK-UHFFFAOYSA-N 429.944 3.907 0 40 IHAB COc1ccc(OC)c(CC(=O)N2CCC(c3nc(C)ncc3-c3cc(C)no3)CC2)c1 72334656 IVSIOIUJEIYQNM-UHFFFAOYSA-N 436.512 3.714 0 40 IHAB Cc1nn([C@H](C)CC(=O)N2CCNC(=O)[C@@H]2Cc2cccc(-c3ccccc3)c2)c(C)c1C 72351790 GGVQWOPNAZTIOC-CJAUYULYSA-N 444.579 3.996 0 40 IHAB COc1ccc(NC(=O)CN2CCC[C@@H](c3cc(Nc4ncccn4)cc(C)n3)C2)cc1 72374847 XSNSVZCPHUUHQQ-GOSISDBHSA-N 432.528 3.750 0 40 IHAB O=C(Nc1ccc(O)cc1)C1CCN(c2ccccc2S(=O)(=O)C(F)(F)F)CC1 89814093 CZGFPVYMIJASGG-UHFFFAOYSA-N 428.432 3.541 0 40 IHAB Cc1nc(-c2cccs2)sc1CNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 90592639 FYXPYHXNAUIOOZ-UHFFFAOYSA-N 447.607 3.895 0 40 IHAB COCCn1/c(=N/C(=O)c2ccccc2Br)sc2cc(C(=O)OC)ccc21 100872413 RMZUKDNXTXGBFH-VZCXRCSSSA-N 449.326 3.639 0 40 IHAB Cc1ccc(-c2nnc(SCC(=O)N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)n2CCC(=O)O)cc1 104024946 RESAWRCJTNQCED-NEPXVJNWSA-N 442.585 3.761 0 40 IHAB COC(=O)c1ccc(NC(=O)CSc2nnc(COc3cc(C)cc(C)c3)o2)cc1 216060028 VXOMLMQGUIIXIK-UHFFFAOYSA-N 427.482 3.783 0 40 IHAB COC[C@]1(CN)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Br)cc1 218240246 DTPFLKOMZAQSHM-BZSNNMDCSA-N 444.778 3.634 0 40 IHAB COc1ccc(N([C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1OC 220227492 XMOJQKQPMXWWDM-LBPRGKRZSA-N 446.447 3.516 0 40 IHAB CC[C@@H](NC(=O)[C@@H](CC)N(c1cccc(OC)c1)S(C)(=O)=O)c1ccc(OC)cc1 220632103 VOXREMJEYDARDF-NHCUHLMSSA-N 434.558 3.516 0 40 IHAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(OC)cc1 222483588 GETFYQYCTLBFRG-MBSDFSHPSA-N 426.557 3.968 0 40 IHAB COC(=O)c1cn(C(=O)[C@H](C)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)c2ccccc12 222632499 KISVIPBNFBVLOS-AWEZNQCLSA-N 448.928 3.885 0 40 IHAB COc1ccccc1N(CCCC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)S(C)(=O)=O 222989066 SJZBDBZCYPXXSH-SFHVURJKSA-N 444.597 3.998 0 40 IHAB CCOc1ccc(C(=O)N2c3ccc(S(=O)(=O)Nc4nccs4)cc3C[C@H]2C)cc1 223378505 SENPFVQNQFQAIU-CQSZACIVSA-N 443.550 3.934 0 40 IHAB Cc1cccc(N(CC(=O)NCCOc2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1 223463859 NXGWMAKITAPNSB-UHFFFAOYSA-N 442.512 3.525 0 40 IHAB OCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Br)cc1 223587449 UGSNQDRTWKMBRY-OALUTQOASA-N 443.370 3.600 0 40 IHAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NC(c1ccccc1)c1ccccc1 223823326 KZEXZPGGOOKGCZ-SFHVURJKSA-N 438.549 3.756 0 40 IHAB CCc1ccc(OCCNC(=O)[C@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 224045513 RIFUIWDGRATISP-INIZCTEOSA-N 438.977 3.561 0 40 IHAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCc1ccc2c(c1)OCO2 225376965 ZQVYHQKBCYSMDX-MSOLQXFVSA-N 440.540 3.689 0 40 IHAB O=C(NCCCc1cccc2ccccc12)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 225514667 JZPNPRGLODVRRE-JOCHJYFZSA-N 436.577 3.990 0 40 IHAB O=C(Nc1ccccc1CCc1ccccn1)c1cn(C[C@H](O)c2ccccc2F)nn1 225581086 IHWCJOYFXHIKAA-QHCPKHFHSA-N 431.471 3.583 0 40 IHAB COc1ccc(CN(C)C(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(F)cc2)cc1 226008151 RUKYJVVSOXLURT-UHFFFAOYSA-N 448.560 3.816 0 40 IHAB C[C@H](Oc1nn(-c2ccccc2)cc1Cl)C(=O)Nc1ccc(N2CCOCC2)cc1 227152847 GFHQYCAGSZAHNX-INIZCTEOSA-N 426.904 3.768 0 40 IHAB Cc1cc(C)n(CC(=O)N2CCCC[C@H]2c2ncc(Cc3ccc(Cl)cc3)o2)c(=O)n1 257215406 CPZBQKHSPSESPD-FQEVSTJZSA-N 440.931 3.846 0 40 IHAB CNc1cc(C)nc([C@@]2(C)CCCN(C(=O)C3(C)CCN(C(=O)c4ccccc4)CC3)C2)n1 257267534 MHRNVPHCYDZUGJ-SANMLTNESA-N 449.599 3.649 0 40 IHAB Cc1nc([C@H]2CCN(C(=O)C3CCCC3)C2)nc2c1CC(=O)N2CCc1ccc(F)cc1 257290627 QDRGMXVIARIWTM-IBGZPJMESA-N 436.531 3.562 0 40 IHAB COc1cccc(Cc2cc(C)nc([C@@H]3CN(C(=O)c4n[nH]c5c4CCCC5)CCO3)c2)c1 257309403 UAUVHKWNTKBGIZ-DEOSSOPVSA-N 446.551 3.805 0 40 IHAB CN1CCC(C(=O)N2CC[C@@]3(C)[C@@H]2CCC(=O)N3Cc2ccc(C(F)(F)F)cc2)CC1 257315081 UZVIXGPBQBEWPB-UGKGYDQZSA-N 437.506 3.529 0 40 IHAB COCCc1ncc(CN2CCO[C@H](c3cc(Cc4ccccc4C)cc(C)n3)C2)cn1 257322775 WHIPBOALCUZSOH-VWLOTQADSA-N 432.568 3.842 0 40 IHAB COc1ccc(N([C@H](C)C(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)S(C)(=O)=O)cc1 260453004 BPOWJWJEIDBVMP-UZLBHIALSA-N 446.569 3.577 0 40 IHAB COc1ccc(NC(=O)[C@]23C[C@H]2CN(c2ccc(Cl)cc2)S3(=O)=O)cc1Cl 260828760 CWMSAISFZHDKBR-VOJFVSQTSA-N 427.309 3.549 0 40 IHAB COC[C@H](C)NS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(Cl)cc2Cl)c1 408594783 PGMHJDNQZHLSTH-NSHDSACASA-N 447.340 3.568 0 40 IHAB Cc1cccc(C)c1N1C[C@@H](C(=O)Nc2ccc(I)cc2)CC1=O 408643293 RCKIYFYVSXEZQG-AWEZNQCLSA-N 434.277 3.900 0 40 IHAB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(C(=O)OC)cc3C)o2)C1=O 408916783 HIPZDTGVZHCZDW-LICLKQGHSA-N 429.450 3.641 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)NCCC2=CCCCC2)c2ccccc2)cc1 409025366 PYIPBIXWMOHEKM-UHFFFAOYSA-N 428.554 3.897 0 40 IHAB COC(=O)Cn1cc(/C=C2\SC(=O)N(CC(=O)c3ccccc3)C2=O)c2ccccc21 409142301 XYQIQIMKKGCSDS-JAIQZWGSSA-N 434.473 3.734 0 40 IHAB CC(C)n1cnc([C@@H]2CN(C(=O)c3cccc(F)c3)C[C@]23CCCN(CC2CC2)C3=O)c1 585106566 BIWNEEJZKOZMRZ-SQJMNOBHSA-N 438.547 3.862 0 40 IHAB COc1ccccc1CNC(=O)CN1CCC[C@@](O)(COc2cc(C)ccc2Cl)CC1 585273650 QIQBATICDHVJPO-DEOSSOPVSA-N 446.975 3.569 0 40 IHAB CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(O[C@H]2CCOC2)cc1 606827093 SMPVLKQWJGAJAR-INIZCTEOSA-N 442.331 3.816 0 40 IHAB CC(C)c1cnn2c(NCc3ccccc3-n3cccn3)cc(O[C@@H]3CCCNC3)nc12 618255070 HVAAPDXGNXLSNO-LJQANCHMSA-N 431.544 3.781 0 40 IHAB O=C(Nc1cccc(S(=O)(=O)N2CCC[C@H]2Cc2ccc(F)cc2)c1)C(F)(F)F 1653721289 YARSZIOUUHQJHV-INIZCTEOSA-N 430.423 3.722 0 40 IHAB NS(=O)(=O)c1cc(CNC(=O)N[C@@H]2CCc3ccc(-c4ccccc4)cc32)ccc1F 1681654436 AXTKUCDJTCEDSZ-OAQYLSRUSA-N 439.512 3.627 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCC(=O)c3ccccc3)o2)cc1 922271 QWYMNVCHVWGWIV-UHFFFAOYSA-N 431.539 3.742 0 40 IHAB COc1ccc(CCNC(=O)CSc2nc3cc4c(cc3cc2C)OCO4)cc1OC 930032 KASXCNUNKLHJRW-UHFFFAOYSA-N 440.521 3.740 0 40 IHAB CCOC(=O)CNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1 2422391 FKTRRDHYXLAZJL-UHFFFAOYSA-N 444.944 3.668 0 40 IHAB O=C(NC1CCCC1)c1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1Cl 2658262 LCBPZLZFFJYCMR-UHFFFAOYSA-N 447.988 3.523 0 40 IHAB CN(C)S(=O)(=O)c1ccc(NCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 3261728 XAVRWEOIPDGLME-UHFFFAOYSA-N 425.510 3.780 0 40 IHAB O=C(Cc1ccc(Cl)c(Cl)c1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 3346375 GNFZDYWIAHMXPL-UHFFFAOYSA-N 437.308 3.765 0 40 IHAB COc1ccc(-n2c(SCC(=O)N3CCCC3=O)nnc2-c2ccccc2Cl)cc1 3408673 JZDNKCDAGGZXPW-UHFFFAOYSA-N 442.928 3.837 0 40 IHAB CCOc1cccc2sc(NC(=O)c3ccc(S(=O)(=O)N(CC)CC)cc3)nc12 3987261 NOPQLMWBKWAFCU-UHFFFAOYSA-N 433.555 3.978 0 40 IHAB O=C(CCC1CCCCC1)N[C@]1(C(F)(F)F)NC(=O)N(CCc2ccccc2)C1=O 4581041 CMIWKMVPBRZSGS-FQEVSTJZSA-N 425.451 3.516 0 40 IHAB Cc1ccc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)N3CCCCC3)c(=O)[nH]c2c1 6410087 ZEOHTJOXWBTQDP-JOCHJYFZSA-N 432.503 3.586 0 40 IHAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCC(=O)NC(=O)NCc1ccccc1 8825751 DHXOAIZRVIWRPL-UHFFFAOYSA-N 445.834 3.625 0 40 IHAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)N[C@@H](CCSC)C(=O)O)CC2 8878347 YNXOANUOEUPDPD-RXVVDRJESA-N 444.553 3.567 0 40 IHAB biogenic C[C@@H](Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)C(=O)N(C)Cc1ccccc1 8901445 PJAYTMNTVQIEIO-MJGOQNOKSA-N 437.565 3.715 0 40 IHAB Cc1c(C)c2ccc(OCC(=O)NC3CCN(Cc4ccccc4)CC3)c(C)c2oc1=O 8970951 VRLLXNGICVPSCU-UHFFFAOYSA-N 434.536 3.878 0 40 IHAB O=C(Nc1ccccc1N1CCOCC1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 9127110 UNIDWHJKAKOQNR-SFHVURJKSA-N 427.932 3.668 0 40 IHAB Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)c(Cl)cc21 9187827 SIDZPXAKBURMFF-UHFFFAOYSA-N 436.873 3.627 0 40 IHAB COc1ccc(-c2noc(-c3cccc(N4C(=O)[C@H]5[C@H]6CC[C@H](C6)[C@@H]5C4=O)c3)n2)cc1OC 9216192 PPTLNUMESRNWKF-ZVLVQXPOSA-N 445.475 3.956 0 40 IHAB COc1cccc([C@H](Nc2ncnc3c2cnn3-c2ccc(F)cc2)c2nccn2C)c1 9318841 VWVPERJCASCFHT-FQEVSTJZSA-N 429.459 3.898 0 40 IHAB Cc1cc(O)c2c(C)c(CC(=O)N3CCN(c4cccc(Cl)c4)CC3)c(=O)oc2c1 9344264 ODZJJHDEEURDSU-UHFFFAOYSA-N 426.900 3.660 0 40 IHAB Cc1cccc(NC(=O)CSc2nnc(NC(=O)COc3ccccc3)s2)c1C 9364755 OWMSZNSGDZAGHD-UHFFFAOYSA-N 428.539 3.903 0 40 IHAB COc1ccc(NC(=O)CSc2ccc3nnc(-c4ccc(F)cc4)n3n2)cc1OC 9414952 OTQDUMWRYHKQCL-UHFFFAOYSA-N 439.472 3.678 0 40 IHAB Cc1cc(Nc2ccc(N3CCN(C(=O)C(C)C)CC3)cc2)n2nc(-c3ccco3)nc2n1 9561478 AAOSSVMYIBDCKT-UHFFFAOYSA-N 445.527 3.741 0 40 IHAB CCOc1ccccc1Nc1nnc(SCC(=O)Nc2sccc2C(N)=O)s1 9632750 VQIHQYSYPNPABE-UHFFFAOYSA-N 435.556 3.572 0 40 IHAB O=C(OCc1nnc(-c2ccccc2)o1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 9669396 NEXHSTJRIXALME-UHFFFAOYSA-N 435.461 3.894 0 40 IHAB CCN(CCCNC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)c1ccccc1 9920016 CCBWBSHJXRKWFR-UHFFFAOYSA-N 431.492 3.722 0 40 IHAB COc1cccc(NC(=O)CCc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)c1 10077613 PNMJLLSKVLFYOP-UHFFFAOYSA-N 438.549 3.788 0 40 IHAB CCc1cccc(C)c1NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 10084187 WWJUZOOOCOKKHV-UHFFFAOYSA-N 432.450 3.869 0 40 IHAB Cc1ccc(CCCNC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 10110477 KVJGUFHCWDZFQJ-UHFFFAOYSA-N 429.369 3.817 0 40 IHAB O=C(CSc1ccc2ccccc2n1)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 10140083 GEEJBYXUEJPYDT-MRXNPFEDSA-N 432.592 3.604 0 40 IHAB O=C(Nc1nc2c(s1)CCCC2)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 10186888 HXGWDDQZNDQMSM-UHFFFAOYSA-N 446.019 3.776 0 40 IHAB O=C(Nc1ccc(C(=O)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1)c1ccco1 11547075 DEMDSYJKEWKNGC-GOSISDBHSA-N 433.512 3.870 0 40 IHAB CC(C)c1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)c2ccc(F)cc2F)n1 12007993 XGDYCWNAOPMQKM-UHFFFAOYSA-N 425.395 3.870 0 40 IHAB Cc1ccccc1-n1ncc2c(C(C)C)nn(CC(=O)NCc3ccccc3Cl)c(=O)c21 12229123 TVIJBUYKKQHGIU-UHFFFAOYSA-N 449.942 3.984 0 40 IHAB C[C@H]1Cc2cc(CC(=O)N[C@H]3CC(C)(C)Cc4nc(-c5cnccn5)ncc43)ccc2O1 12241336 MYBLTUFPOICBFS-KXBFYZLASA-N 429.524 3.629 0 40 IHAB O=C(NCc1ccc(F)cc1)[C@H](c1ccco1)N(C(=O)c1csnn1)c1ccccc1 12472067 IXBVUZGNARNIMO-FQEVSTJZSA-N 436.468 3.975 0 40 IHAB Cc1ccc(CCC2CCN(CC(=O)Nc3cc(S(N)(=O)=O)cc(C)c3C)CC2)cc1 12757661 SOBTWPBPUBLSPT-UHFFFAOYSA-N 443.613 3.543 0 40 IHAB Cc1cc(=O)c(C(=O)N2CCN(Cc3ccc(C(C)C)cc3)CC2)nn1-c1ccccc1F 12783976 UAGVILRYOHZHAR-UHFFFAOYSA-N 448.542 3.761 0 40 IHAB CC(=O)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3[C@@H](C)CCC[C@@H]3C)cc2)cc1 12787761 ZRSLRBZNJSPRKV-IRXDYDNUSA-N 444.553 3.858 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@H](CC(C)C)N[C@]23C(=O)Nc2ccc(C)cc23)cc1 12889998 VORDSJCBYIFJSS-UTAZYMRLSA-N 449.551 3.982 0 40 IHAB biogenic C[C@H]1CCc2c(sc3nc([C@H](C)Sc4nnc(-c5cccs5)n4N)[nH]c(=O)c23)C1 13101248 LRLQYAFLSVFQIY-UWVGGRQHSA-N 444.611 3.997 0 40 IHAB Cc1cc(C)c2[nH]c(=O)c(CN(C[C@@H]3COCCO3)C(=O)Nc3ccccc3F)cc2c1 13512878 AZZJRDLSBXQRON-LJQANCHMSA-N 439.487 3.734 0 40 IHAB COc1cccc([C@@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccccc2)n3C)c1OC 13567461 DQFGWVKSDARKEK-INIZCTEOSA-N 437.521 3.564 0 40 IHAB Cc1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)N2CC(=O)Nc3ccccc32)c1 13569575 SXZFLARHDQHECP-NRFANRHFSA-N 428.492 3.713 0 40 IHAB CC[C@H](C)[C@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccc(F)cc1)C(=O)O 13610123 CAMGOSGJNOVRHC-RWGOJESNSA-N 444.503 3.999 0 40 IHAB O=C(NCCOc1ccc2nnc(-c3cccc(F)c3)n2n1)Nc1ccc(F)c(Cl)c1 13706081 AUPFJECBUXRXJM-UHFFFAOYSA-N 444.829 3.923 0 40 IHAB CCS(=O)(=O)N(CC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCO2 14397908 SIEXNYFQKOHGFE-UHFFFAOYSA-N 431.297 3.517 0 40 IHAB Cc1ccc(-n2ccnc2SCc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1C 14800615 LPPLCRMCOQLHBM-UHFFFAOYSA-N 443.594 3.802 0 40 IHAB CC(C)c1nn2c(=O)cc(COC(=O)c3ccccc3NC(=O)c3ccccc3)nc2s1 15771565 VCAKHURZZZPVBF-UHFFFAOYSA-N 448.504 3.884 0 40 IHAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cc(=O)c2ccc(Br)cc2o1 15859899 GMRGJDFXBWECFD-HNNXBMFYSA-N 431.286 3.715 0 40 IHAB CCOc1ccc(CN(C(=O)c2ccc(OC(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 16742130 IARSIGCNZQEYRO-HXUWFJFHSA-N 431.554 3.702 0 40 IHAB O=C(c1cc2c(s1)CCCCCC2)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 17846089 OVYFXQJCDUDFLL-UHFFFAOYSA-N 432.611 3.695 0 40 IHAB Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)Oc2ccccc2F)cc(=O)[nH]1 19240954 QHJAKFNDJCZVOM-XOBRGWDASA-N 434.471 3.566 0 40 IHAB O=C1CC[C@]2(CCCN(C(=O)c3cn4cc(Cl)ccc4n3)[C@@H]2c2ccc(F)cc2)N1 19336256 AMHAKSULJOBUJZ-IRLDBZIGSA-N 426.879 3.753 0 40 IHAB COc1cccc(-c2cc(-c3cccnc3)nn2CCNC(=O)c2cc(C(C)C)n[nH]2)c1 19451961 XXZYJYDEULXQLN-UHFFFAOYSA-N 430.512 3.897 0 40 IHAB Cc1c(C(=O)N[C@H](C)C(C)C)sc2nc3n(c(=O)c12)CCN(Cc1ccccc1)CC3 19565163 UVGFHSVZODSBIO-QGZVFWFLSA-N 438.597 3.599 0 40 IHAB CN(C)c1ncc(-c2cccc(Cl)c2)c(C2CCN(C(=O)c3ccc(N)nc3)CC2)n1 19695232 FDNDHKIPVMGTAB-UHFFFAOYSA-N 436.947 3.860 0 40 IHAB Cc1ccc2oc(C(=O)N3CC[C@H](c4cc(C(=O)NCCO)c5ccccc5n4)C3)cc2c1 19761459 BZWJINCYOLFEQR-KRWDZBQOSA-N 443.503 3.641 0 40 IHAB CCOC(=O)[C@@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@@H]1c1sccc1C 19818565 CYCFMHGXUBTEHK-ROUUACIJSA-N 427.526 3.558 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2cc(F)ccc2F)cc1Cl 20015849 XUAVLGXQEMPVRA-UHFFFAOYSA-N 432.876 3.666 0 40 IHAB CCOC(=O)CNC(=O)[C@@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(C)C 20116198 ZFQVVPCSPAYJIL-MHLWUJJFSA-N 440.584 3.588 0 40 IHAB O=C(c1cccc(Cl)c1)N1CCCc2cc(S(=O)(=O)NCc3cccnc3)ccc21 20767103 GUKBDGAPSXUQKB-UHFFFAOYSA-N 441.940 3.807 0 40 IHAB COc1cc(CNn2c(C)n[nH]c2=S)cc(Br)c1OCc1cccnc1 22111471 JMPZKUPYPZAHEH-UHFFFAOYSA-N 436.335 3.738 0 40 IHAB O=C(Nc1cccc2cccnc12)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 22415722 YDPHAMRKIWVBPK-INIZCTEOSA-N 429.929 3.928 0 40 IHAB C[C@H](OC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2)c1nnc(-c2ccccc2)o1 26054830 WPKMTYHQQFTNOD-KSKOPSKJSA-N 438.528 3.999 0 40 IHAB NC(=O)c1cc(Cl)ccc1OCC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 27566191 BLMPZWMRFNDEIA-HNNXBMFYSA-N 429.885 3.850 0 40 IHAB C[C@H](c1nc2ccccc2s1)N1CCN(C(=O)CCc2nc(-c3ccco3)no2)CC1 29983393 DHESFAPRIWOADX-OAHLLOKOSA-N 437.525 3.777 0 40 IHAB Cc1noc(C)c1COc1ccccc1C(=O)N1CCN(C(=O)CC2CCCC2)CC1 31197376 XKIDACFLIHFHJK-UHFFFAOYSA-N 425.529 3.735 0 40 IHAB COc1cc([C@@H]2OC[C@@H]3[C@H](c4cc(OC)c(OC)c(OC)c4)OC[C@H]23)cc(OC)c1OC 31477287 HRLFUIXSXUASEX-QDGJQWLKSA-N 446.496 3.813 0 40 IHAB biogenic,in-vitro CCOC(=O)c1c(-c2ccco2)csc1NC(=O)Cn1cnc2ccsc2c1=O 32850503 XAJBZNNRFGLVHL-UHFFFAOYSA-N 429.479 3.595 0 40 IHAB O=C(CCn1cnc2ccccc2c1=O)OCc1csc(COc2ccc(F)cc2)n1 32850584 VHTYKSMYHASRRU-UHFFFAOYSA-N 439.468 3.705 0 40 IHAB COc1ccc(-c2noc(-c3ccc(=O)n(CC(=O)Nc4ccc(C)cc4C)c3)n2)cc1 33293138 PAHWAKKMGNAMND-UHFFFAOYSA-N 430.464 3.829 0 40 IHAB COc1ccc(NC(=O)Cn2cc(-c3nc(-c4ccc(Cl)cc4)no3)ccc2=O)cc1 33293192 SHLKLXGHQWWILA-UHFFFAOYSA-N 436.855 3.866 0 40 IHAB CC(C)C(=O)Nc1ccc2c([C@H](C(=O)O)N3CCN(Cc4ccccc4)CC3)c[nH]c2c1 36353194 IFCKELSMEIWCOS-HSZRJFAPSA-N 434.540 3.706 0 40 IHAB COC(=O)[C@]1(Cc2ccc(O)c(CC=C(C)C)c2)OC(=O)C(OC)=C1c1ccc(O)cc1 36378994 FCSKUNOKIVAIKK-RUZDIDTESA-N 438.476 3.675 0 40 IHAB biogenic,in-vitro COc1ccc(Cl)cc1N([C@H](C)C(=O)N[C@@H](C)c1ccc(C)cc1C)S(C)(=O)=O 38772446 DVWAOGBGFXRXFG-JKSUJKDBSA-N 438.977 3.997 0 40 IHAB CCCCN(C)C(=O)C1CCN(C(=O)c2cc(C)nc3c2nc2n3CCCCC2)CC1 40155964 IKVJWDVQFKXDBS-UHFFFAOYSA-N 425.577 3.577 0 40 IHAB O=C(COc1ccc(Cl)cc1Cl)NCCN1CCN(c2ccc(Cl)cc2)CC1 56997377 DVYPXJZDHRUOFU-UHFFFAOYSA-N 442.774 3.964 0 40 IHAB CC[C@H]1CCCCN1C(=O)Cn1c(=O)n(Cc2ccccc2Cl)c(=O)c2sccc21 57427958 IGUDCECNOUKYEX-INIZCTEOSA-N 445.972 3.718 0 40 IHAB CCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1=O 57477605 OXQGWSOBKSXBRY-UHFFFAOYSA-N 439.821 3.884 0 40 IHAB O=C(NCc1ccc(N2CCCC[C@H]2CCO)nc1)c1cc(-c2ccccc2Cl)[nH]n1 57996054 OQQWNBZCIFTTQB-KRWDZBQOSA-N 439.947 3.796 0 40 IHAB COc1cc(-c2nc(C(=O)N[C@@H](C)C(=O)O)cc3c2[nH]c2ccccc23)cc(OC)c1OC 61999345 YNFFSUPULUSMKT-LBPRGKRZSA-N 449.463 3.612 0 40 IHAB biogenic CCS(=O)(=O)N1CCCC[C@@H]1c1nnc(C2CCN(Cc3cccc(C)c3)CC2)o1 72344903 GVZDQQIIFMPCQH-HXUWFJFHSA-N 432.590 3.634 0 40 IHAB CCCN1CCN(C(=O)c2cnc(C)cn2)[C@H](Cc2ccc(-c3cccs3)cc2)C1=O 72351501 VIYAPIYFIMPOAJ-OAQYLSRUSA-N 434.565 3.819 0 40 IHAB CC[C@H](Oc1cccc(OC)c1)C(=O)N1CCC[C@H](c2cc(C(F)F)n3ncnc3n2)C1 72395343 DRWNMDAJUDDHAY-LIRRHRJNSA-N 445.470 3.634 0 40 IHAB CCOc1ccc(CCC(=O)N2CCC[C@H](c3cc(C(F)F)n4ncnc4n3)C2)cc1 72395361 OKNHFVHCGVJBMM-INIZCTEOSA-N 429.471 3.799 0 40 IHAB Cc1nc2cc([C@@H]3CCCN(C(=O)c4ccc(OC5CSC5)cc4)C3)nn2c(O)c1C 100137679 YATNVCTYVMOLDA-QGZVFWFLSA-N 438.553 3.566 0 40 IHAB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1)c1ccc(Cl)cc1 101145850 QRAHNFQZHBZFJQ-LVNJIZSUSA-N 437.879 3.915 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C)c2ccccc2OC)cc1 113937965 SHPAELHMWLJBRI-UHFFFAOYSA-N 440.521 3.846 0 40 IHAB CCc1ccc(CC)c(CNC(=O)[C@H](CC)N(c2cccc(OC)c2)S(C)(=O)=O)c1 223741307 CGCCYGWCKMCRAD-QFIPXVFZSA-N 432.586 3.681 0 40 IHAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)cc1Cl 223847774 RLSFMIOJTLXMRF-UHFFFAOYSA-N 436.917 3.617 0 40 IHAB Cc1cc(C)cc(OCCNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c1 224056705 XFISJSVVNZPXLO-UHFFFAOYSA-N 438.549 3.694 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCC3CCN(C)CC3)cc2C)cc1 224213353 ZYHHUXYDSOTCPE-UHFFFAOYSA-N 443.613 3.590 0 40 IHAB COc1ccccc1[C@H](C)NC(=O)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 224519858 YLQIHNRLCROZGJ-IBGZPJMESA-N 444.597 3.547 0 40 IHAB CCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(Cl)c(C)c1 224583871 WLMVHBWUIYHVIK-OAQYLSRUSA-N 432.948 3.979 0 40 IHAB CSc1ccc(S(=O)(=O)NCc2cccc(CN3CCCCC3)c2)cc1NC(C)=O 224702221 FCKDBNXMMYUYCQ-UHFFFAOYSA-N 447.626 3.831 0 40 IHAB CCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CCc1ccc2c(c1)OCO2 225386561 KJTCOIJPDWLHTG-NRFANRHFSA-N 440.540 3.690 0 40 IHAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC(Oc2cc(C)n(C)c(=O)c2)CC1 238894242 QWYURLBPZGOULW-UHFFFAOYSA-N 441.915 3.994 0 40 IHAB Cc1ccc2nc(C(=O)N3CCC[C@H](CC(=O)NCc4ccc5c(c4)CCCO5)C3)cn2c1 257211697 BZYXZIDIQDYXPU-HXUWFJFHSA-N 446.551 3.526 0 40 IHAB CN(C)C(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(C(=O)c2ccccn2)CC1 257213307 CHAHQVJYRZEAGO-UHFFFAOYSA-N 428.536 3.697 0 40 IHAB C[C@H]1C[C@@H](C)CN(c2cc(N3CCCCCC3)nc(NC(=S)NC[C@H]3CCCO3)n2)C1 260717844 PWGYKLXRLMPZPO-CEXWTWQISA-N 446.665 3.805 0 40 IHAB CCOc1ccc(N([C@H](CC)C(=O)N[C@@H](C)c2ccccc2OC)S(C)(=O)=O)cc1 260741088 FOTPKVUCNYESQP-OXJNMPFZSA-N 434.558 3.516 0 40 IHAB Cn1c(COc2cccc3ccccc23)nnc1SCC(=O)Nc1cccc(C(=O)O)c1 408595812 OPZYFDJXHSQGLW-UHFFFAOYSA-N 448.504 3.976 0 40 IHAB CC(C)Oc1ccc(NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc1 408615287 OJHUHPXBCLLBBJ-UHFFFAOYSA-N 441.347 3.641 0 40 IHAB CCOC(=O)c1ccc(NC(=O)c2cccc(N3C(=O)[C@H]4CC(C)=CC[C@H]4C3=O)c2)cc1 408685705 RAXSXCGJXRLFBB-RTWAWAEBSA-N 432.476 3.961 0 40 IHAB Cc1cccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3cccc(C)c3C)n2C)c1 409141769 KALJBUUYUGMFIK-QGZVFWFLSA-N 437.569 3.962 0 40 IHAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)ccc1OCc1cccc(F)c1 409144789 PXLMFDYTSBXWMI-VCHYOVAHSA-N 431.441 3.924 0 40 IHAB COCCNC(=O)CN1C(=O)S/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O 409209297 IQCOYOQKUHDQFI-ATVHPVEESA-N 448.585 3.786 0 40 IHAB O=C(NCCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1cc2c(ccc3ccccc32)[nH]1 614036562 LKBTULVZAJJKEU-UHFFFAOYSA-N 444.510 3.929 0 40 IHAB CCN1CCCCCN(C(=O)c2cccc(N)n2)[C@@H](C(C)C)COc2ccccc2C1=O 643583471 VWHIQVCIPSGFMQ-OAQYLSRUSA-N 438.572 3.856 0 40 IHAB Cc1sc(Br)cc1S(=O)(=O)NC[C@@H](O)c1cccc2ccccc12 1192396443 MUHKRGSGCWYVFD-OAHLLOKOSA-N 426.357 3.984 0 40 IHAB O=C([C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)N1CCC(Cc2ccccc2)CC1 1458442 WCEFTKHJYSWKKN-QFIPXVFZSA-N 426.582 3.569 0 40 IHAB COc1ccc(CCNC(=O)COC(=O)C(c2ccccc2)c2ccccc2)cc1OC 1939368 CEPCIWIWWPIJSD-UHFFFAOYSA-N 433.504 3.738 0 40 IHAB COc1ccc2c(CN3C(=O)NC(c4ccccc4)(c4ccccc4)C3=O)cc(=O)oc2c1 3399414 SDSJYZAGQLUVJL-UHFFFAOYSA-N 440.455 3.797 0 40 IHAB CCCCn1c(SCC(=O)Nc2cc(OC)ccc2OC)nc2ccccc2c1=O 3492772 ZKLUWKWXWJMIPU-UHFFFAOYSA-N 427.526 3.945 0 40 IHAB COc1ccccc1[C@H](C(=O)NC1CCCC1)N(C(=O)c1csnn1)c1ccccc1 6298665 XVAMHAAEAOHQGR-OAQYLSRUSA-N 436.537 3.994 0 40 IHAB CC(C)(C)c1ccc(CCC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 8096325 FDSUESMJCPJWJR-UHFFFAOYSA-N 428.598 3.591 0 40 IHAB CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1nnc(NC(=O)c2cccc(F)c2)s1 8588122 MWZMTNQOGFGLQQ-UHFFFAOYSA-N 434.518 3.762 0 40 IHAB C[C@@H]1CCCC[C@]12NC(=O)N(Cc1nnc(-c3ccc(Br)s3)o1)C2=O 8734658 HSONPRXCZZXMOQ-ABKXIKBNSA-N 425.308 3.561 0 40 IHAB Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(C)c(C)c3)nc2N)cc1 9152146 KTLVFYHWKKOIHO-UHFFFAOYSA-N 442.566 3.548 0 40 IHAB COc1cccc(/C=C2/SC(=O)N(CCC(=O)NCCc3c[nH]c4ccccc34)C2=O)c1 9216162 HXPVBAIURGYNQN-KGENOOAVSA-N 449.532 3.962 0 40 IHAB COc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccc(OC)c(OC)c3)n2C)cc1 9304149 FXBGNFZJYZOWKA-CYBMUJFWSA-N 428.514 3.627 0 40 IHAB CS(=O)(=O)Nc1cccc(C2=NN(C(=O)c3cccc(F)c3)[C@H](c3ccco3)C2)c1 9392198 KQZVXXKRXKHSEI-IBGZPJMESA-N 427.457 3.782 0 40 IHAB CCOc1ccc(N(C(=O)c2cccc(Br)c2)[C@@H]2C=CS(=O)(=O)C2)cc1 9415837 FIWHGXRWTYIEEZ-QGZVFWFLSA-N 436.327 3.805 0 40 IHAB Cc1cccc(Nc2nnc(SCC(=O)Nc3sc4c(c3C(N)=O)CCC4)s2)c1 9616774 GXEPLPGCBNEINN-UHFFFAOYSA-N 445.595 3.970 0 40 IHAB Cc1ccccc1-c1noc(Cn2nc(C)c(S(=O)(=O)N3CCc4ccccc43)c2C)n1 9721745 SFRWOPGKFFAYDX-UHFFFAOYSA-N 449.536 3.658 0 40 IHAB O=S(=O)(NC[C@H](c1cccs1)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 9741671 KCQXWKJGXIFTCY-GOSISDBHSA-N 441.983 3.895 0 40 IHAB O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1cccc(N2CCCC2=O)c1)c1cccs1 9743831 KQQAGVNMYKECCV-FQEVSTJZSA-N 433.533 3.855 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)Cc1cc(C)ccc1OC 9747915 XWUCYIFFAPLKPQ-UHFFFAOYSA-N 430.570 3.556 0 40 IHAB O=C(CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)N1CC[C@H]2CCCC[C@@H]2C1 9764400 WGIFTAYATGWLIM-CHWSQXEVSA-N 438.899 3.676 0 40 IHAB O=C([C@H]1CN(C(=O)/C=C/c2ccc3c(c2)OCCCO3)c2ccccc2O1)N1CCCCC1 9869879 TZVCXGKCOPADGA-IYNHSRRRSA-N 448.519 3.668 0 40 IHAB COc1ccc(Nc2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccsc23)cc1 9971127 OLPVTCVPOXLNPA-UHFFFAOYSA-N 437.506 3.924 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc1 11072706 AMBMLOIRAVGZGA-DEOSSOPVSA-N 449.576 3.945 0 40 IHAB COc1ccc(O[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 11656667 PDHUWJCWYIKSDX-KRWDZBQOSA-N 432.542 3.666 0 40 IHAB O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCCCC3)ccc21)c1ccc(Cl)cc1 11689600 NDFCKXWDISFBPY-UHFFFAOYSA-N 448.928 3.696 0 40 IHAB C[C@@H](c1nccs1)N1C(=O)c2cccc(N3CCN(Cc4cccs4)CC3)c2C1=O 11785421 RBOOIAYGYUALPP-HNNXBMFYSA-N 438.578 3.884 0 40 IHAB Cc1ccc(-c2cc(C(=O)N(Cc3sccc3C)[C@H]3CCS(=O)(=O)C3)no2)cc1 11917541 XONWNTYPRZQFSC-KRWDZBQOSA-N 430.551 3.849 0 40 IHAB CCOC(=O)c1c(NC(=O)c2nn(-c3ccc(C)cc3)ccc2=O)sc(C(C)=O)c1C 12111344 AHJXZLVWSWZITG-UHFFFAOYSA-N 439.493 3.542 0 40 IHAB CC(C)[C@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)NCc1ccncc1 12324909 FTXPQSAXUOQNQT-FQEVSTJZSA-N 433.537 3.553 0 40 IHAB COc1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(C)C(=O)[C@@H]1S(=O)(=O)c1ccc(C(C)(C)C)cc1 12438005 OIZIOMXXIWTNIG-ZILOHOTNSA-N 443.565 3.890 0 40 IHAB COc1cc(C(=O)OCc2nc(N)nc(Nc3ccccc3)n2)ccc1OCCC(C)C 12632694 KGIRNEZVAXTCJU-UHFFFAOYSA-N 437.500 3.988 0 40 IHAB C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)c1ccccc1Cl 12755620 OCOIMTNXWJMRQU-GFCCVEGCSA-N 448.397 3.832 0 40 IHAB Cc1ccccc1CN(C)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12913946 RLYYVTBQDAJEEY-UHFFFAOYSA-N 426.582 3.543 0 40 IHAB COc1ccc(CN2CCN(C(=O)c3ccccc3C(=O)c3ccccc3)CC2)cc1OC 13110186 PQACDNYJCBXVEM-UHFFFAOYSA-N 444.531 3.893 0 40 IHAB O=C(CSc1nnc(C2CCCCC2)o1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 13398366 SBDMFNLBQNDDBF-KRWDZBQOSA-N 428.514 3.503 0 40 IHAB COc1ccc(S(=O)(=O)[C@H](CNC(=O)Cc2ccc(F)cc2)c2cccs2)cc1 15780814 SXLDMUIGAHTICL-HXUWFJFHSA-N 433.526 3.770 0 40 IHAB COc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)cc1 15985682 ZDYRIQAEUWIQMI-UHFFFAOYSA-N 428.485 3.907 0 40 IHAB COc1ccc([C@@H](NC(=O)Cn2c(CSC)nc3ccccc32)c2nccn2C)cc1 16476675 NSFYDNYKXUYFLX-JOCHJYFZSA-N 435.553 3.547 0 40 IHAB CCOC(=O)c1ccc(N(Cc2cccnc2)C(=S)NC(=O)Cc2ccccc2)cc1 17098484 APDIUQHSMFTWIV-UHFFFAOYSA-N 433.533 3.909 0 40 IHAB C[C@@H](NC(=O)c1ccccc1NC(=O)Cc1csc(N2CCCC2=O)n1)c1ccccc1 18083863 ZDRCBZPAAYSZIP-MRXNPFEDSA-N 448.548 3.942 0 40 IHAB Cc1noc(C)c1COc1ccc(C(=O)OCC(=O)Nc2cccc3nsnc23)cc1 19078118 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COc1cccc(N2CCN([C@@H](C(=O)O)c3c[nH]c4ccc(Br)cc34)CC2)c1 20744612 ZQOZRONDLAUCRW-HXUWFJFHSA-N 444.329 3.887 0 40 IHAB CCC[C@H](C)NC(=O)COC(=O)c1ccc(OS(=O)(=O)c2cc(C)ccc2C)cc1 21233356 GJFRJFACRZDDLQ-KRWDZBQOSA-N 433.526 3.533 0 40 IHAB COc1ccc([C@H](NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)c2nccn2C)cc1 22471131 KKEJFLZLDFBMFG-KNQAVFIVSA-N 447.539 3.578 0 40 IHAB Cc1cc(I)ccc1NC(=O)c1cccc(CN2CCOCC2)c1 22534113 JWRGPFYNGJXNNE-UHFFFAOYSA-N 436.293 3.684 0 40 IHAB O=C(CN1CCN(Cc2cccs2)CC1)Nc1ccc2c(c1)OC1(CCCCC1)O2 22786829 HAMJEYLSRKUYPP-UHFFFAOYSA-N 427.570 3.936 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc2[nH]c(CSc3ccc4c(c3)OCCO4)nc2c1 22827285 BCZACGYYCNTECV-UHFFFAOYSA-N 433.555 3.657 0 40 IHAB O=C(NCCCc1ccccc1)C(=O)NC[C@H](c1cccs1)N1CCc2ccccc2C1 22908051 PPUWCLPQXAHUJJ-HSZRJFAPSA-N 447.604 3.713 0 40 IHAB CC(C)Oc1ccc(C(=O)Nc2c3c(nn2CC(=O)NCc2ccco2)CSC3)cc1 23139365 ZPIYPTIXLAVAMX-UHFFFAOYSA-N 440.525 3.579 0 40 IHAB C[C@]1(C2CC2)NC(=O)N(CC(=O)N[C@H](c2ccc3c(c2)CCCC3)c2cccs2)C1=O 24277819 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CCOC(=O)Cc1nnc(S[C@H](C)C(=O)c2ccc(F)cc2)n1Cc1ccccc1 32829322 IWOCUKCYITUNGR-OAHLLOKOSA-N 427.501 3.935 0 40 IHAB CCOc1ccc([C@@H](c2nnnn2C(C)(C)C)N2CCN(Cc3ccccc3)CC2)cc1 35291373 FMTLAURJUYWTHV-QHCPKHFHSA-N 434.588 3.734 0 40 IHAB CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1[C@@H](C)Oc1ccccc1 36631395 PYPIPRXAGLEMRV-CQSZACIVSA-N 426.498 3.898 0 40 IHAB O=C(C1CC1)N1CCc2cc([C@@H](O)CN3CCC[C@](O)(c4ccc(F)cc4)CC3)ccc21 36719286 IWAYUNFKXVQRMW-AZGAKELHSA-N 438.543 3.532 0 40 IHAB Clc1cccc(-c2cnc(CN3CCN(Cc4nnc5n4CCCCC5)CC3)o2)c1 40105784 LZKDGHIOGMVZHJ-UHFFFAOYSA-N 426.952 3.631 0 40 IHAB O=C1COc2cc(S(=O)(=O)N[C@@H](c3ccccc3)c3cccs3)c(Cl)cc2N1 43774518 SXDJUUKXJZGXEZ-IBGZPJMESA-N 434.926 3.800 0 40 IHAB COc1ccc(N(CC(=O)Nc2ccccc2F)S(=O)(=O)c2ccccc2)c(OC)c1 44792380 CFAJLPYOYYZPCL-UHFFFAOYSA-N 444.484 3.677 0 40 IHAB CCC(=O)Nc1c(-c2ccccn2)nsc1C(=O)N1CCN(c2ccccc2C)CC1 49007887 YOBSKDZUTSOIFE-UHFFFAOYSA-N 435.553 3.824 0 40 IHAB COc1ccc(-c2noc(C3CCN(CC(=O)Nc4cccc(C(C)=O)c4)CC3)n2)cc1 49403468 JSUQVHVDJIFVGV-UHFFFAOYSA-N 434.496 3.766 0 40 IHAB Cc1ccccc1NC(=O)Cn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2sccc21 57491818 BGTBIUYAAZOGMP-UHFFFAOYSA-N 425.897 3.814 0 40 IHAB Cc1sc(=O)n(CC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)c1-c1ccc(F)cc1 58292311 TWKYYBJIYUPBKM-UHFFFAOYSA-N 449.548 3.540 0 40 IHAB COc1ccc(NC(=O)Cn2c(=O)cc(-c3nc(C4CC4)no3)c3ccccc32)c(OC)c1 67317868 ZPTPOAHSNGUNGF-UHFFFAOYSA-N 446.463 3.585 0 40 IHAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC2CCN(c3ncccn3)CC2)o1 69349418 OFLHTEHDBFEDFP-UHFFFAOYSA-N 428.496 3.630 0 40 IHAB COCCn1ccc2c(NC(=O)Cn3nc(-c4ccc(Cl)cc4)ccc3=O)cccc21 71284788 JHGHAMNZQCZDTE-UHFFFAOYSA-N 436.899 3.804 0 40 IHAB Cc1cc2nc([C@@H]3CCCN(S(=O)(=O)c4cccc(F)c4)C3)cc(C(F)(F)F)n2n1 72340906 XRDHUTBSGQPOTI-CYBMUJFWSA-N 442.438 3.764 0 40 IHAB CNc1cc([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc(CN(C)Cc2cccc(OC)c2)n1 72391882 FPPJIMUGQBXDTE-OAQYLSRUSA-N 445.567 3.675 0 40 IHAB CCOC(=O)[C@@]1(Cc2cc(-c3ccc(F)cc3)no2)CCCN(C(=O)[C@]2(C)CCCO2)C1 72394117 ZEDJNXJVGOYVAK-BJKOFHAPSA-N 444.503 3.764 0 40 IHAB CN(C)[C@@H](CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1cn(C)c2ccccc12 77171696 WGVMRPOIJFCWOK-IBGZPJMESA-N 441.475 3.658 0 40 IHAB CCCCN(C)c1ncc(Cl)c(C(=O)N2CCC[C@H]2CN(C)C(=O)OC(C)(C)C)n1 78935118 XFVBHBNJKUILBU-HNNXBMFYSA-N 439.988 3.838 0 40 IHAB CC(C)[C@@H](NC(=O)CS(=O)(=O)c1ccccc1Cl)c1ccc2c(c1)OCCCO2 79111575 OXZGJRIJGROQDN-OAQYLSRUSA-N 437.945 3.789 0 40 IHAB Cc1nc(CNC(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)ccc1[C@@H](C)O 95456475 PPJMDNRUWFSHDS-CQSZACIVSA-N 437.500 3.822 0 40 IHAB O=C(Nc1ccc(Cn2cncn2)cc1)c1cc(-c2ccc(Br)s2)[nH]n1 95475456 ISTQUCYMGIHCBY-UHFFFAOYSA-N 429.303 3.793 0 40 IHAB O=S(=O)(c1ccc2ccccc2n1)C(Br)(Br)Br 95869667 RJEZJMMMHHDWFQ-UHFFFAOYSA-N 443.942 3.805 0 40 IHAB Cc1cc(F)ccc1-n1cc(C(=O)Nc2ncnc3c2c(C)c(C)n3C[C@H]2CCCO2)nn1 96011132 PXNWOHRJWVZKNJ-QGZVFWFLSA-N 449.490 3.508 0 40 IHAB CCOc1ccc(C(=O)N2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)cc1OCC 96374080 JSMSEYVXXPGLCS-UHFFFAOYSA-N 435.517 3.702 0 40 IHAB COc1ccc(NC(=O)c2ccccc2N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c(OC)c1 100843470 DBNVSRVFBCRPDT-ZVBJQKONSA-N 444.487 3.514 0 40 IHAB CCCN1C(=O)[C@H](Cc2nc3ccccc3c(=O)n2C)c2cc(Br)ccc21 101415027 FNDWLTXJNAELBY-MRXNPFEDSA-N 426.314 3.779 0 40 IHAB CN1O[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@@H]1c1coc2ccccc2c1=O 106344409 ADZJARQMKWNYLU-AOIWGVFYSA-N 445.258 3.576 0 40 IHAB COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)cc1 111882553 VZLOVUYLZRPHQX-LBPRGKRZSA-N 437.279 3.537 0 40 IHAB CCc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1ccc(OC)cc1OC 138706433 LVGFVYOXZDPUDU-UHFFFAOYSA-N 428.485 3.557 0 40 IHAB CC(C)(C)OC(=O)N[C@]1(CN)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 218059022 WAPZTEYKJAHIHL-WFXMLNOXSA-N 436.961 3.502 0 40 IHAB COc1ccc(OC)c(N([C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c1 220217237 FOHKROBTGBLPCO-NSHDSACASA-N 447.340 3.804 0 40 IHAB CCOc1ccc(N([C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)cc1 223171339 LNVXDPYWWUBMRX-IRXDYDNUSA-N 430.570 3.606 0 40 IHAB CCCC(=O)N(Cc1ccc(OC)cc1)[C@H](Cc1ccccc1)C(=O)NC[C@@H]1CCCO1 223268850 MQHBWFCSEWBAMA-BJKOFHAPSA-N 438.568 3.730 0 40 IHAB COC(=O)c1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc2)c1 223984816 RAWHQUKLVXRWDM-UHFFFAOYSA-N 440.477 3.535 0 40 IHAB CC[C@@H]1CCCCN1CCCNC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1 224185282 BPMPBPAQNQDSFA-LJQANCHMSA-N 449.642 3.958 0 40 IHAB CCN(c1ccc(C(=O)Nc2ccc(C(=O)OC)cc2)cc1)S(=O)(=O)c1ccccc1 224355677 JJUHAHQNJXZIGA-UHFFFAOYSA-N 438.505 3.941 0 40 IHAB O=C(CCc1nc(-c2ccc(I)cc2)no1)NC1CCCCC1 225837419 XJILNZRZMNTLQI-UHFFFAOYSA-N 425.270 3.723 0 40 IHAB CC(=O)Nc1ccc(NC(=O)Cc2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1 225981431 XOWUXNXKTOWMCZ-UHFFFAOYSA-N 437.521 3.651 0 40 IHAB CCc1nccn1-c1cccc([C@@H]2CCCN2C(=O)c2ccc(CN3CCOCC3)cc2)n1 257286146 PKMFYQUNNJLXFX-QHCPKHFHSA-N 445.567 3.639 0 40 IHAB CCc1nc2ccccc2n1CC(=O)N1C[C@@H](c2ccccc2)[C@@]2(CCCCC(=O)N2C)C1 257294799 QVUCUFPFXGFNOV-KDYSTLNUSA-N 444.579 3.996 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC3CCCCC3)c2)c(OC)c1 408558318 QMOGIFJQMXCIQS-UHFFFAOYSA-N 432.542 3.876 0 40 IHAB C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCC(Cc2ccccc2)CC1 408591625 JTGSAEPQZJPTLY-LJQANCHMSA-N 436.577 3.988 0 40 IHAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 408592185 KLDOTKGMYOAEMP-JTQLQIEISA-N 436.839 3.673 0 40 IHAB COc1ccc(N2C[C@@H](C(=O)O[C@H](C)C(=O)c3ccc(Cl)cc3)CC2=O)c(OC)c1 408663971 YLJZXOJWNUFTJP-HIFRSBDPSA-N 431.872 3.525 0 40 IHAB Cc1cc(F)cc2c1CN(CC(=O)N1c3ccccc3NC(=O)C[C@H]1C(F)(F)F)CC2 502930549 KPFOLFLXDLLMFS-IBGZPJMESA-N 435.421 3.799 0 40 IHAB Cn1cc(-c2cc(F)ccc2NC(=O)N[C@H](Cn2ccccc2=O)c2ccccc2)cn1 504829708 ATPYKXOONQXZEA-JOCHJYFZSA-N 431.471 3.951 0 40 IHAB Cc1ccc(-c2noc(CCC(=O)Nc3ccc(N4C[C@@H](C)O[C@H](C)C4)nc3)n2)cc1F 526031344 WJDNSDYMHJHQRW-HZPDHXFCSA-N 439.491 3.764 0 40 IHAB O=C(Cc1cccc(F)c1)N[C@H]1CC2(CCN(c3ncccn3)CC2)Oc2ccccc21 585105949 UDJKBRMLQBDJIS-NRFANRHFSA-N 432.499 3.837 0 40 IHAB CC(C)C(=O)N1CCCCCCCNCc2cc(C(=O)NCC3CCN(C)CC3)ccc21 643584100 SAFNRUFANPFYFU-UHFFFAOYSA-N 442.648 3.801 0 40 IHAB CC(=O)N1CCC(N2CC[C@H]3CC(=O)Nc4cc(C(C)C)ccc4OCC[C@H]3C2)CC1 1534646381 ISNOUMMCOGDITJ-SFTDATJTSA-N 427.589 3.870 0 40 IHAB COCCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@H]1c1ccc(Cl)cc1Cl 2257802 PTMJCYVJVQEGHS-BONVTDFDSA-N 429.325 3.832 0 40 IHAB O=C1CCCN1CCCn1c(SCc2c(F)cccc2F)nc2ccccc2c1=O 2970692 KHQUYTXDSIXNAG-UHFFFAOYSA-N 429.492 3.980 0 40 IHAB O=C(CCS(=O)(=O)c1ccccc1)Nc1nnc(SCc2ccc(F)cc2)s1 3357124 ZOLQYVMHGXDMLD-UHFFFAOYSA-N 437.543 3.772 0 40 IHAB CCC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@](CC)(c3ccc(Cl)cc3)C2=O)cc1 3446835 DPYYEHHIYPIEDT-JOCHJYFZSA-N 427.888 3.729 0 40 IHAB CC(C)CCN(C(=O)CNC(=O)c1ccco1)[C@H](C(=O)NC1CCCCC1)c1ccco1 6551824 OZIXDHYJCJXQRC-QFIPXVFZSA-N 443.544 3.667 0 40 IHAB Cc1ccc(C)c(N2CCN([C@H]3CCCC[C@@H]3NS(=O)(=O)c3ccccc3)CC2)c1 6804176 SIZFHFYOXGTUOV-GOTSBHOMSA-N 427.614 3.715 0 40 IHAB COc1ccc(-c2coc3cc(OCC(=O)NC[C@@H](O)c4ccccc4)ccc3c2=O)cc1 8764934 QMHQFGDTVXGHDM-HSZRJFAPSA-N 445.471 3.697 0 40 IHAB biogenic Cc1c(CCC(=O)N(C)CC(=O)N(C)C)c(=O)oc2cc3occ(-c4ccccc4)c3cc12 8879921 VGBKVMZHEQPKKJ-UHFFFAOYSA-N 446.503 3.994 0 40 IHAB biogenic COc1ccc(CN2C(=O)[C@](O)(CC(=O)c3ccccc3OC)c3ccccc32)cc1OC 8919133 UUXDWZYXDPGYAA-SANMLTNESA-N 447.487 3.720 0 40 IHAB CC(C)COC(=O)c1cccc(NC(=O)CCC(=O)OCC(=O)c2ccc(F)cc2)c1 9094741 SVFCBLGUXYTFOC-UHFFFAOYSA-N 429.444 3.783 0 40 IHAB Cc1ccc(N[C@@H](C(=O)N(C)C)c2ccccc2)cc1S(=O)(=O)N1CCCCCC1 9339207 RVMCUDXLESTZCT-JOCHJYFZSA-N 429.586 3.801 0 40 IHAB COc1ccc(CN(C(=O)c2oc3cc(C)ccc3c2C)[C@H]2CCS(=O)(=O)C2)cc1 9345196 FKSUJFOKSWIKOM-SFHVURJKSA-N 427.522 3.888 0 40 IHAB Cc1cc(=O)oc2c(C)c(OCC(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc12 9348091 ZRTOOMXGFWKKKE-UHFFFAOYSA-N 426.900 3.791 0 40 IHAB CC(=O)Nc1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(F)cc2)cc1 9517651 OWUGYQFYBTUPGW-UHFFFAOYSA-N 436.472 3.644 0 40 IHAB COc1cc(OC)c(NC(=O)[C@H]2CS[C@]3(c4cccs4)CCC(=O)N23)cc1Cl 9544901 JISGBUZOVZWBOK-YJYMSZOUSA-N 438.958 3.948 0 40 IHAB COc1ccc(S(=O)(=O)NCCc2sc(-c3ccc(F)cc3)nc2C)cc1OC 9578789 NKRYEOJZOWBFHH-UHFFFAOYSA-N 436.530 3.796 0 40 IHAB O=C(CSc1nnc(NC(=O)COc2ccccc2)s1)Nc1ccc(Cl)cc1 9599943 FJPRIAWMKMPCHY-UHFFFAOYSA-N 434.930 3.940 0 40 IHAB CCOc1ccc(C(=O)NCCn2nc(-c3ccc(Cl)cc3)ccc2=O)cc1OCC 9844228 WTSMPPMMERMDLL-UHFFFAOYSA-N 441.915 3.791 0 40 IHAB COC(=O)c1cccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)c1 10296113 GTGQIWWPTVUTMP-UHFFFAOYSA-N 438.505 3.859 0 40 IHAB O=C(c1ccc2c(c1)OCO2)N1CCC2(CC1)C[C@@]1(CO2)Nc2ccccc2-n2cccc21 12086204 QUOBKBFRUNFIDA-SANMLTNESA-N 443.503 3.922 0 40 IHAB O=S(=O)(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1)c1ccc(F)cc1 12180416 QBKXSOYVEWCMCJ-UHFFFAOYSA-N 446.525 3.768 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc(OC)cc3OC)cc2)cc1 12548530 DXGHCXCLKCDKGN-UHFFFAOYSA-N 442.493 3.766 0 40 IHAB Cc1nc(-c2ccc3c(c2)CCN3CC(=O)Nc2ccccc2SCC(N)=O)cs1 12562448 SLAMMAFTTLENQI-UHFFFAOYSA-N 438.578 3.697 0 40 IHAB Cn1ccnc1[C@@H](NC(=O)c1ccccc1I)c1ccccc1F 12630021 SEWHRZVZMIZXHE-INIZCTEOSA-N 435.240 3.683 0 40 IHAB C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1CCN(C(=O)c2ccco2)CC1 12697586 HESXKDBBDJJRSK-LJQANCHMSA-N 433.508 3.644 0 40 IHAB COc1cc(/C=C/C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)cc(Cl)c1OC 12798002 SEPSCWLSYLIPAA-CMDGGOBGSA-N 442.943 3.925 0 40 IHAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CN1C(=O)[C@H]3CCCC[C@H]3C1=O)CC2 13062045 VMFRXLRGUXWEOY-ROKPMTFOSA-N 434.536 3.784 0 40 IHAB COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1 13102233 TZCZHTHGQCLELK-UHFFFAOYSA-N 442.475 3.913 0 40 IHAB Cc1cc(S(=O)(=O)N[C@@H](C)CCc2ccccc2)c(C)n1S(=O)(=O)c1ccccc1 13586036 OWCBZVINXQUUIL-KRWDZBQOSA-N 446.594 3.642 0 40 IHAB O=C(CSc1nc(CC(=O)N2CCc3ccccc32)cs1)c1ccc2c(c1)OCO2 13654671 SRUNVXDHDFUZRY-UHFFFAOYSA-N 438.530 3.979 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 13671277 YNOOSOAHXWPLQN-SFHVURJKSA-N 444.597 3.804 0 40 IHAB Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)cc1 14104774 WXVJTQABXRHJBF-OAHLLOKOSA-N 437.359 3.797 0 40 IHAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N3CCN(C(=O)C(C)C)CC3)cc12 14187598 MTYJWAGWSXMOQL-UHFFFAOYSA-N 428.533 3.534 0 40 IHAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)C1CCN(c2nc3ccccc3o2)CC1 14526287 ZIVSZBLOTJYDDX-KRWDZBQOSA-N 430.512 3.845 0 40 IHAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 14817794 RAODIEMNSFXBFK-UHFFFAOYSA-N 436.533 3.556 0 40 IHAB COc1ccc(CCNC(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)cc1OC 15721630 PWGLAISJYBTLDJ-UHFFFAOYSA-N 430.302 3.829 0 40 IHAB biogenic Cc1cc(=O)oc2cc(NC(=O)c3cc(S(=O)(=O)N4CCCC4)ccc3Cl)ccc12 15951178 XCPYSSCOAKADBQ-UHFFFAOYSA-N 446.912 3.792 0 40 IHAB COc1ccc(-c2noc(Cn3ccn4nc(-c5ccc(C)cc5)cc4c3=O)n2)c(OC)c1 16841969 WDVDQKOENTVDEJ-UHFFFAOYSA-N 443.463 3.587 0 40 IHAB COc1ccccc1N1CCN(C(=O)Cc2csc(Nc3ccc(F)cc3)n2)CC1 16850163 HDKAGMFAOCTMMA-UHFFFAOYSA-N 426.517 3.926 0 40 IHAB CCOC(=O)c1c(CNCCN(CC)CC)n(C)c2cc(Br)c(OC)cc12 19367081 MODPIKSCMXTCPZ-UHFFFAOYSA-N 440.382 3.558 0 40 IHAB Cc1ncccc1C(=O)N1CCC[C@@H]1c1nc(O)c2c(n1)CCN(Cc1ccccc1F)C2 19582889 LHXSUUVCWZALTJ-JOCHJYFZSA-N 447.514 3.560 0 40 IHAB Cc1nc([C@@H]2CCCN(C(=O)c3n[nH]c4c3CCCC4)C2)nc2c1CCCN2CC1CC1 19706996 ORLMGQUPZGMDSB-GOSISDBHSA-N 434.588 3.569 0 40 IHAB Cc1ncc(C(=O)Nc2ccccc2)c([C@H]2CCCCN2S(=O)(=O)c2ccccc2)n1 19766494 YGNAYWAVDNCGQG-OAQYLSRUSA-N 436.537 3.953 0 40 IHAB Cc1ccc2c(COC(=O)C[C@H](NC(N)=O)c3ccc(Cl)cc3)cc(=O)oc2c1C 20921592 JIGDQRTXEHYKOQ-SFHVURJKSA-N 428.872 3.906 0 40 IHAB Cc1ccc(C(=O)N[C@@H](CC(C)C)c2ccccc2)cc1S(=O)(=O)N1CCOCC1 22533998 HBHWMOQGULAPTN-NRFANRHFSA-N 430.570 3.533 0 40 IHAB COc1ccccc1NC(=O)C(=O)NC[C@H](c1cccs1)N1CCc2ccccc2C1 22908218 KBPHIQCOYBMOTR-HXUWFJFHSA-N 435.549 3.611 0 40 IHAB CC(C)c1noc(CN2CCN(CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)n1 22932945 XSGHNXILPAXUSQ-UHFFFAOYSA-N 445.873 3.622 0 40 IHAB Cc1c(O)ccc2c(CSc3nnc([C@H]4COc5ccccc5O4)n3C)cc(=O)oc12 23524359 HPWQCOTWBAXWJE-GOSISDBHSA-N 437.477 3.740 0 40 IHAB Cc1ccc(C)c(-n2cnnc2SCC(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 32745315 QABRYHRBAPZYRC-UHFFFAOYSA-N 441.988 3.978 0 40 IHAB COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)cc1OC 33330058 USDSTFUAZQDQDO-YBFXNURJSA-N 426.494 3.996 0 40 IHAB CN1C(=O)[C@@]2(Nc3ccccc3C(=O)N2C[C@H](c2cccs2)N(C)C)c2ccccc21 36358064 CJWHWJASGPDMJK-HYBUGGRVSA-N 432.549 3.748 0 40 IHAB CCn1ncc(CN(C)C(=O)c2cc(-c3ccc(OC)cc3)nc3c2c(C)nn3C)c1C 36613473 XWCMMSHOTJQLPF-UHFFFAOYSA-N 432.528 3.749 0 40 IHAB CCN(CC(=O)Nc1ccc(OC)c(OC)c1)S(=O)(=O)c1cc(Cl)ccc1Cl 39985433 NRSLMQBVUUDERF-UHFFFAOYSA-N 447.340 3.660 0 40 IHAB CCOC(=O)Cc1ncccc1C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 40081556 FOTRXEOIMQUFEJ-QWRGUYRKSA-N 426.357 3.827 0 40 IHAB Cc1ccc(C(=O)NCc2ccc(CN3CCC[C@H](C)C3)cc2)cc1NS(C)(=O)=O 40107928 OPJHEPXXXFAXDM-KRWDZBQOSA-N 429.586 3.528 0 40 IHAB COc1ccccc1-c1cc(C(=O)NCCCC(=O)Nc2cccc3cccnc23)[nH]n1 49030728 RBJYTNNJLFQCJD-UHFFFAOYSA-N 429.480 3.782 0 40 IHAB CCc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@H]3CC(c4ccc(Cl)s4)=NO3)c2)n1 58414427 ALDBEZULMYILQT-OAHLLOKOSA-N 428.901 3.846 0 40 IHAB COc1ccc(NC(=O)Cn2cc(-c3nc(-c4cccc(C)c4)no3)ccc2=O)cc1OC 67289543 ODMGZMGYQHNGSK-UHFFFAOYSA-N 446.463 3.530 0 40 IHAB O=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccc(F)cc2)cc1)c1cccs1 67896581 ZXQVSSNZQWTEII-DENIHFKCSA-N 440.496 3.601 0 40 IHAB biogenic,in-vitro COC(=O)c1cc(NC(=S)Nc2cccc(OC(F)(F)F)c2)cc(C(=O)OC)c1 71760846 YIOLYYKMJHFEOD-UHFFFAOYSA-N 428.388 3.967 0 40 IHAB COc1ccccc1N1CCN(C(=O)c2cn[nH]c2-c2cccc(Br)c2)CC1 72328689 DURLOZPPCWDMJL-UHFFFAOYSA-N 441.329 3.810 0 40 IHAB CCCN1CCN(C(=O)c2cnc(C)cn2)[C@@H](Cc2ccccc2-c2ccccc2)C1=O 72351602 ACCMCNUSSZCOFE-DEOSSOPVSA-N 428.536 3.758 0 40 IHAB Cc1cc(Nc2cnccn2)cc([C@@H]2CCCN(S(=O)(=O)c3ccc(F)c(C)c3)C2)n1 72375026 JSIRJSLMPYOGNZ-QGZVFWFLSA-N 441.532 3.939 0 40 IHAB CCC(=O)Nc1ccc(S(=O)(=O)NCCN2CCC(c3cccs3)CC2)c(C)c1 77104221 NCYGLNHMNOLBAI-UHFFFAOYSA-N 435.615 3.563 0 40 IHAB COc1cccc(-c2c[nH]c([C@H]3CCCN3C(=O)c3cc(OC)c4c(c3)OCCO4)n2)c1 79054505 CAISNIQMAOCXDP-LJQANCHMSA-N 435.480 3.842 0 40 IHAB COc1ccc(/C=C/C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c(OC)c1 89432869 ZNVJVPAEKWOUJF-ZRDIBKRKSA-N 430.526 3.530 0 40 IHAB COc1ccc(CCNC(=O)CSCC(=O)N2C[C@H](c3ccc(F)cc3)C[C@H]2C)cc1 89920279 PNLVMZQNBSNBDQ-YLJYHZDGSA-N 444.572 3.631 0 40 IHAB CN(C(=O)CCNC(=O)C(C)(C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1 95453989 OAYWSXSBHQCRQU-GOSISDBHSA-N 431.577 3.829 0 40 IHAB Nc1c(Cl)cc(S(=O)(=O)NCCSCc2ccnc(Cl)c2)cc1Cl 95458397 WBMGWQVQXPZQIS-UHFFFAOYSA-N 426.778 3.836 0 40 IHAB COc1cccc(C(=O)N(CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)c2ccc(C)cc2)c1 100396740 QJZWTKQQZUCRIR-QALHXSLCSA-N 442.515 3.661 0 40 IHAB CCc1cc(=O)oc2cc(O[C@@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)c(Cl)cc12 100767801 PRJMUHABANULGT-KCQAQPDRSA-N 435.904 3.783 0 40 IHAB CCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=Cc3ccccc3N1[C@H]2C(=O)Nc1ccc(Cl)cc1 102800432 WZBOSIJWIIQYLD-CLAROIROSA-N 449.938 3.964 0 40 IHAB CCCOc1ccc(/C=C2\SC(=O)N(CC(=O)OCC)C2=O)cc1Br 106742319 NYPMBTQQMXDIJF-ZROIWOOFSA-N 428.304 3.837 0 40 IHAB CCN(CC)C(=O)COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 107754773 ONHCLDJMSHRKHZ-UHFFFAOYSA-N 430.448 3.753 0 40 IHAB C[C@H]1CC[C@@H]2N(C1)C[C@@H]1[C@H](CC[C@H]3[C@@H]4CC(=O)[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4C[C@H]31)[C@]2(C)O 137831036 IQDIERHFZVCNRZ-BJAKPFDMSA-N 429.645 3.886 0 40 IHAB COc1cc(=O)n(-c2ccccc2)nc1C(=O)Nc1ccccc1-c1cn2ccccc2n1 206900419 TZSNIYJSSHCKOI-UHFFFAOYSA-N 437.459 3.808 0 40 IHAB COc1ccc(-c2noc(CN(C)C(=O)C3CCN(Cc4ccc(C)cc4)CC3)n2)cc1 219409209 ZNCCKFUCJYRKAX-UHFFFAOYSA-N 434.540 3.924 0 40 IHAB CC[C@@H](C(=O)NCc1ccc(OC)cc1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 220693804 PPEPCALUPZZAGR-SFHVURJKSA-N 445.368 3.863 0 40 IHAB Cc1ccccc1CSCCNC(=O)c1ccc(C)c(N2CCCCS2(=O)=O)c1 222567273 PFVMOFCQGIKPQZ-UHFFFAOYSA-N 432.611 3.897 0 40 IHAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccn(C3CCCC3)c2)N1CCCN1CCOCC1 223205558 XKEQTNODISKDMT-GOTSBHOMSA-N 439.629 3.693 0 40 IHAB CCOc1ccc(N(CCCC(=O)NC(C)(C)Cc2ccccc2)S(C)(=O)=O)cc1 224201726 FVWHEBAWVBYWMS-UHFFFAOYSA-N 432.586 3.769 0 40 IHAB COc1ccc(Cl)cc1NS(=O)(=O)c1nnc(NC(=O)c2ccc(C)cc2)s1 224739152 BVIUFWPNJYZUBV-UHFFFAOYSA-N 438.918 3.562 0 40 IHAB 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CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)COc1ccccc1C(N)=O 12875674 HJVJMZOCNNPFSQ-UHFFFAOYSA-N 443.297 3.845 0 40 IHAB CCOc1ccc(C(=O)CCC(=O)N(CC)CC(=O)NCc2ccc(Cl)cc2)cc1 12934219 HZLOPIKHRMROQR-UHFFFAOYSA-N 430.932 3.867 0 40 IHAB Cc1sc2ncn(CC(=O)Nc3ccc4c(c3)OCCO4)c(=O)c2c1-c1ccccc1 13113256 LJMWVPKHWUUMMA-UHFFFAOYSA-N 433.489 3.843 0 40 IHAB COc1ccc(OC)c([C@@H]2CC(=O)Nc3nc(SCc4ccc(C)cc4)[nH]c(=O)c32)c1 13567273 HDIUXVJEIXDJMS-KRWDZBQOSA-N 437.521 3.862 0 40 IHAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1 14231513 YMSYZINMNPTWTR-AUSIDOKSSA-N 430.552 3.774 0 40 IHAB Cc1c(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)ccc(Br)c1Cl 15946615 BYUPTSUDIBDNOR-VOAKKNSGSA-N 439.737 3.769 0 40 IHAB COc1cc(OC)c(NC(=O)CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1Cl 15949213 YNGZNPGICQGQBP-UHFFFAOYSA-N 443.670 3.899 0 40 IHAB Cc1ccc(C(C)C)c(OCC(=O)N(Cc2ccc(F)cc2)[C@H]2CCS(=O)(=O)C2)c1 16742195 GAEXQPAVMQMABH-FQEVSTJZSA-N 433.545 3.852 0 40 IHAB O=C(CCc1csc(NS(=O)(=O)c2ccc(F)cc2)n1)NCC1CCCCC1 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CCOc1cccc(C(=O)NC(=S)Nc2cc(-c3ccc(CO)o3)ccc2OC)c1 20152660 AJSHWHHQSMIVPE-UHFFFAOYSA-N 426.494 3.973 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)N(C)Cc1ccc(C)cc1 20488245 JTLXBQXAQXJLRN-UHFFFAOYSA-N 430.570 3.696 0 40 IHAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c1 20492668 OGSKUBICYBMNLB-QGZVFWFLSA-N 425.510 3.905 0 40 IHAB COc1ccc(N2C(=O)/C(=C\NC[C@@H](c3ccco3)N(C)C)c3ccccc3C2=O)cc1 20663692 MGJWVFPJOAXKIJ-GYZZIOIESA-N 431.492 3.709 0 40 IHAB COc1ccc(N2CCCS2(=O)=O)cc1NC(=O)NCc1cccc2ccccc12 22506240 KFBUAWVSZCQTKF-UHFFFAOYSA-N 425.510 3.710 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1 22536150 AUIYJWNBBVVWNL-IBGZPJMESA-N 432.586 3.899 0 40 IHAB COCCn1c(C)cc(O)c([C@H](c2ccncc2)N2CCC(Cc3ccccc3)CC2)c1=O 22697897 GAUASNBQAGVTGD-SANMLTNESA-N 447.579 3.948 0 40 IHAB CCc1ccccc1NC(=O)CN1CCN([C@H](C)c2nnc(-c3cccc(C)c3)o2)CC1 22930980 LPBQTLDXHSDDSK-LJQANCHMSA-N 433.556 3.925 0 40 IHAB C/C=C/c1ccc(OC[C@@H](O)CN2C(=O)N/C(=C\c3c[nH]c4ccccc34)C2=O)c(OC)c1 24832495 HXLJCUZJKVQOBQ-IRFDXSLISA-N 447.491 3.542 0 40 IHAB O=C(COCc1nc2ccccc2c(=O)[nH]1)Nc1nc(-c2ccc3c(c2)CCC3)cs1 24923673 YFQHCWDHXRGJCV-UHFFFAOYSA-N 432.505 3.691 0 40 IHAB CC(C)CNC(=O)CN1CCN(Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC1 25175617 GMQXFBDYKIADRG-UHFFFAOYSA-N 440.535 3.719 0 40 IHAB O=C(CCCNC(=O)c1cccs1)Nc1ccnn1Cc1ccc(Br)cc1 26790951 AZWQWSYCCHHUFG-UHFFFAOYSA-N 447.358 3.904 0 40 IHAB NS(=O)(=O)c1cccc(NC(=O)c2cc(-c3cccs3)n(-c3ccc(F)cc3)n2)c1 27398698 IXCGWQDKRAJQMA-UHFFFAOYSA-N 442.497 3.640 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 27976996 DWNZDXIUVLSLHL-UHFFFAOYSA-N 426.523 3.755 0 40 IHAB COc1ccc(NC(=O)c2nnc(CSc3nccc(C(F)(F)F)n3)s2)cc1 28190424 ZCFAKAJXJDFVFZ-UHFFFAOYSA-N 427.433 3.900 0 40 IHAB COCCCNC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccc(F)cc3)ccc2s1 28209045 NSILPFUUDYYUOF-UHFFFAOYSA-N 436.530 3.632 0 40 IHAB COc1ccc(Nc2nnc(SCc3cccc(OC)c3)n(-n3cccc3)c2=O)cc1 28534965 BEHALDWMUKVPNQ-UHFFFAOYSA-N 435.509 3.804 0 40 IHAB O=C(Nc1cccc(N2CCOC2=O)c1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 32816844 CDBRWVUVMBLBNS-UHFFFAOYSA-N 434.418 3.912 0 40 IHAB COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H](C(=O)O)[C@@H]2C(=O)c2ccc(F)cc2)cc1 35053051 LZNDVARHFAXPRW-RLFYNMQTSA-N 445.493 3.774 0 40 IHAB COc1ccccc1Oc1ccc(NC(=O)c2cnn([C@@H]3CCS(=O)(=O)C3)c2C)cc1 40141655 BKQTWJUFQZWRCL-QGZVFWFLSA-N 441.509 3.604 0 40 IHAB COc1ccccc1Nc1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccc(C(C)C)cc1)CC(=O)N2 40400063 KODUIRCHXYUSDA-INIZCTEOSA-N 447.495 3.710 0 40 IHAB C[C@H]1C[C@@H]1c1ccc(CN(C)C(=O)CCCCCNC2=NS(=O)(=O)c3ccccc32)o1 48262263 BMCZFZCTOFICFN-LPHOPBHVSA-N 443.569 3.661 0 40 IHAB CCOC(=O)c1ccc(Oc2coc3c4c(ccc3c2=O)OCN(CCCOC)C4)cc1 57172805 MQKXYIONAVLCDN-UHFFFAOYSA-N 439.464 3.950 0 40 IHAB biogenic O=C(Cn1c(=O)n(CCc2cccs2)c(=O)c2sccc21)NCCC1=CCCCC1 57493773 QLKVABGGBMMNCS-UHFFFAOYSA-N 443.594 3.536 0 40 IHAB CCOC(=O)[C@@H](c1ccc(F)c(F)c1)N(C)CC(=O)Nc1ccccc1Br 58268046 YUWUBEAYVGHNAM-GOSISDBHSA-N 441.272 3.902 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)Nc3c4c(nn3C)CCC4)cc2)c1 65568129 CDNUQKIQUPUTQS-UHFFFAOYSA-N 425.510 3.546 0 40 IHAB O=C(COC(=O)c1ccc(Br)cc1)NCc1cccc(Br)c1 67197446 QEJBMQHCFWSCNE-UHFFFAOYSA-N 427.092 3.685 0 40 IHAB O=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccccc2)cc1)c1ccc(F)cc1 67896396 AMPOANQERRYEHB-ISKFKSNPSA-N 434.467 3.539 0 40 IHAB biogenic,in-vitro CC1CCN(Cc2ccc(CNC(=O)CCCn3nnc(-c4ccccc4)n3)cc2)CC1 69927009 FAHDLOODPKSTLR-UHFFFAOYSA-N 432.572 3.669 0 40 IHAB Cc1c(C(=O)Nc2ccc(F)cc2)nnn1-c1cccc2c1CCN(Cc1ccncc1)C2 69947899 HVDUDIFWNPTVIP-UHFFFAOYSA-N 442.498 3.920 0 40 IHAB CCC(CC)C(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3ccc(F)cc3)[C@@H]2CO)cc1 72321397 GUIAHZJCCWQCFD-FYYLOGMGSA-N 428.504 3.661 0 40 IHAB biogenic,in-vitro Cc1cc(C)n(-c2ccc(C(=O)N3C[C@H]4CC[C@]5(NC(=O)c6ccccc6N5)[C@H]4C3)cc2)n1 72326887 HNEWCTNVESESFY-GSPPDTAYSA-N 441.535 3.523 0 40 IHAB COCCNC(=O)c1sc2ccccc2c1[C@@H]1CN(Cc2ccc(F)cc2)CCO1 72352516 PRYLMMBIKBEAHN-IBGZPJMESA-N 428.529 3.990 0 40 IHAB CC(C)(C)OC(=O)C1CCC(NC(=O)c2cccc(I)c2)CC1 95455587 JWHTUQHXDOCALH-UHFFFAOYSA-N 429.298 3.922 0 40 IHAB CN(C(=O)c1ccccc1)C1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(N2CCOC2=O)c1 95464382 MPVUSTFOAFOUCU-CBQGHPETSA-N 433.508 3.551 0 40 IHAB COc1cc(-n2cc(C(=O)Nc3cccnc3)c3ccccc3c2=O)cc(OC)c1OC 95479876 JHBLTSONGPZTAM-UHFFFAOYSA-N 431.448 3.664 0 40 IHAB O=C(c1ccccc1)N1CCCc2ccc(NS(=O)(=O)c3ccc4oc(=O)[nH]c4c3)cc21 96025627 NWOMXAVZEIHBNE-UHFFFAOYSA-N 449.488 3.515 0 40 IHAB COc1ccc(S(=O)(=O)C2CCN(C(=O)CCCC(=O)c3ccccc3)CC2)cc1 96104170 BAIARXCNDRBITR-UHFFFAOYSA-N 429.538 3.513 0 40 IHAB Cc1cc(=O)oc2c3c(cc(OCC(=O)NCC(=O)c4ccccc4)c12)OC(C)(C)CC3 96113781 YYUCTKYNHNFZLJ-UHFFFAOYSA-N 435.476 3.583 0 40 IHAB biogenic Cc1ccc(NC(=O)[C@@H]2C[C@]3(CO2)CN(C(=O)c2ccc(F)cc2)c2ccccc23)cn1 96143975 YYTYLIZUKACTGN-WIOPSUGQSA-N 431.467 3.855 0 40 IHAB CCC(CC)NC(=O)c1ccc2c(c1)[C@H](c1ncn(C(C)C)n1)CN2C(=O)c1ccccn1 96267764 FQPBKXZAPSJPIE-HXUWFJFHSA-N 446.555 3.965 0 40 IHAB CNC(=O)c1sc2ccccc2c1[C@H]1CC[C@H](CNC(=O)c2cnc(NC)nc2)CC1 100657930 YBCPXAJLKYKVFA-GASCZTMLSA-N 437.569 3.796 0 40 IHAB O=C(COC(=O)C[C@H]1C[C@@H]2CC[C@@H]1C2)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 102169037 RTUYVXZGDBSPCZ-BZUAXINKSA-N 440.462 3.850 0 40 IHAB CCOC(=O)CN(c1ccccc1Br)S(=O)(=O)c1ccc(Cl)cc1 113877605 YEJIKGXVAKGCOO-UHFFFAOYSA-N 432.723 3.861 0 40 IHAB CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCCN1C(=O)c2cccc3cccc1c23 222911235 UWRAPRDCMTXCFG-IBGZPJMESA-N 443.547 3.786 0 40 IHAB CC[C@@H](NC(=O)CN(c1ccccc1OC)S(C)(=O)=O)c1ccc2c(c1)CCCC2 223047292 HDESAGAGHHIBPX-HXUWFJFHSA-N 430.570 3.608 0 40 IHAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N(C)Cc3ccccc3F)cc2)cc1 224493423 CAPIXEXWPRBOTQ-UHFFFAOYSA-N 442.512 3.932 0 40 IHAB CC(C)C(=O)Nc1nnc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)s1 224578526 ICRPPRSKCVOCMO-UHFFFAOYSA-N 432.527 3.512 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)N4CCOc5ccccc54)ccc32)cc1 225846157 QTIDAYYGANXYHZ-UHFFFAOYSA-N 434.517 3.786 0 40 IHAB COc1cccc(N(C)C(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)c1 225997512 CHXQKYCXKUSZOY-UHFFFAOYSA-N 438.549 3.592 0 40 IHAB CCN1CCN(C(=O)c2cc(C(C)(C)C)n[nH]2)[C@H](Cc2cccc(-c3cccnc3)c2)C1=O 257221393 DOWNUXRIRZRKFZ-JOCHJYFZSA-N 445.567 3.685 0 40 IHAB Cc1cc(Nc2cnccn2)cc(C2CCN(S(=O)(=O)c3ccc(C)c(F)c3)CC2)n1 257288275 PTOVAMPNCTWXNA-UHFFFAOYSA-N 441.532 3.939 0 40 IHAB Cc1cc(C)cc(C2(C(=O)N3CCOC[C@@H](Cc4cccn5nccc45)C3)CCOCC2)c1 257332372 XWZKZMQTLQKXJK-QFIPXVFZSA-N 447.579 3.717 0 40 IHAB Cc1nc([C@H]2CCN(C(=O)CC(C)(C)C)C2)nc(C)c1CC(=O)NCc1ccc(F)cc1 257332381 XXCBSYKOIWJOKZ-IBGZPJMESA-N 440.563 3.844 0 40 IHAB C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](CC(=O)[C@H]5C[C@H](O)CC[C@@]54C)[C@@H]3CC[C@H]1[C@]2(C)O 299817559 IQDIERHFZVCNRZ-MWNPEGAOSA-N 429.645 3.886 0 40 IHAB biogenic,in-vitro Cc1ccc(N(CC(=O)NCCCOC(C)C)S(=O)(=O)c2ccc(Cl)cc2)cc1 408544357 HBJVVYZCXFNWCT-UHFFFAOYSA-N 438.977 3.775 0 40 IHAB CCCc1nc(S/C(=C\c2ccc(OC)c(I)c2)C(=O)O)n[nH]1 408632484 QMUHGMCVTPQUDO-WQLSENKSSA-N 445.282 3.588 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCc1ccccc1)c1ccc(C)cc1 409390749 VTJYUHUPBBIIBJ-UHFFFAOYSA-N 438.549 3.824 0 40 IHAB O=S(=O)(CCCc1ccccc1)N1CCO[C@H](c2cccc(Nc3nccs3)n2)C1 643550611 LDFQJPUCVUYUCY-IBGZPJMESA-N 444.582 3.618 0 40 IHAB O=C(Nc1ccc(C(=O)N2CCC[C@]3(CCN3c3ncnc4ccccc34)C2)cc1)C1CC1 2056226030 IBDHPXJUBHXXIG-SANMLTNESA-N 441.535 3.863 0 40 IHAB O=C(NC(=S)Nc1ccc(NC(=S)NC(=O)c2ccccc2)cc1)c1ccccc1 1687245 ZEEPAKPPABEUSU-UHFFFAOYSA-N 434.546 3.940 0 40 IHAB CN1CCC(NC(=O)c2nn3c(C(F)(F)F)cc(-c4cccs4)nc3c2Cl)CC1 2791359 ATHFOEZYZXJXSH-UHFFFAOYSA-N 443.882 3.954 0 40 IHAB O=C(CCCn1c(=O)[nH]c2ccccc2c1=O)N(Cc1ccccc1)Cc1ccccc1 2952529 MDCKQWKBBXJZSD-UHFFFAOYSA-N 427.504 3.699 0 40 IHAB COc1cc([C@@H]2C(C(=O)OC(C)C)=C(C)Nc3nnnn32)ccc1OCc1ccc(C)cc1 8717604 UBKLRCHURPEVAW-JOCHJYFZSA-N 449.511 3.810 0 40 IHAB O=S(=O)(c1ccc(I)cc1)N1CCS[C@H]1c1ccccc1 8833857 PMMCUNXLKJUCMK-HNNXBMFYSA-N 431.320 3.728 0 40 IHAB O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccccc1)c1ccccc1 8924249 IHROCGWNSSRTKQ-UHFFFAOYSA-N 438.505 3.752 0 40 IHAB COc1ccc([C@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)c2ccccc2)cc1 8935674 INAVBOBNVMFKSI-HSZRJFAPSA-N 425.506 3.924 0 40 IHAB O=C(Nc1ccccc1N1CCOCC1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 9127109 UNIDWHJKAKOQNR-GOSISDBHSA-N 427.932 3.668 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)c2c(C)noc2C)c1 9222180 IETYQHSQNBUCTC-UHFFFAOYSA-N 434.562 3.565 0 40 IHAB COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)c(OC)c1 9259457 WGYSQQDKSRCQOG-VXLYETTFSA-N 426.494 3.996 0 40 IHAB C[C@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)C(=O)NC[C@H](O)c1ccccc1 9449825 BABOHPLXPKWQIW-XOBRGWDASA-N 441.911 3.942 0 40 IHAB CCOC(=O)c1ccc(N2CCN(CC)CC2)c(NC(=O)COc2ccc(CC)cc2)c1 9908035 JREAICCCPNGHJW-UHFFFAOYSA-N 439.556 3.585 0 40 IHAB COc1cc(C(=O)NC(=S)Nc2ccccc2N2CCCCC2)cc(OC)c1OC 9975301 RPJQMFUICHCAPO-UHFFFAOYSA-N 429.542 3.830 0 40 IHAB COc1ccc(C)c2sc(N(CCCN(C)C)C(=O)c3ccc4c(c3)OCCO4)nc12 10068650 GNERZWOWHNEPQY-UHFFFAOYSA-N 441.553 3.983 0 40 IHAB O=C(N[C@@H](c1ccc(F)cc1)c1cccs1)c1cccc(S(=O)(=O)NC2CC2)c1 10291315 BKYRGFYTVSWCND-FQEVSTJZSA-N 430.526 3.847 0 40 IHAB COc1ccc(-n2nnc3c(SCC(=O)Nc4cccc(Cl)c4)ncnc32)cc1 11758658 RPRBNJACJZQVHZ-UHFFFAOYSA-N 426.889 3.603 0 40 IHAB Cc1cc(-c2cnc(NCc3ccc(C)o3)nc2-c2ccc(N3CCOCC3)nc2)on1 12154972 SZSAOEVUUZLGOE-UHFFFAOYSA-N 432.484 3.852 0 40 IHAB Cc1sc2nc(C3CC3)n(C3CCN(CC(=O)N4CCCC[C@H]4C)CC3)c(=O)c2c1C 12184952 FVENAQXOAAPLTB-OAHLLOKOSA-N 442.629 3.990 0 40 IHAB COc1ccc(NC(=O)Cn2cc(OCc3ccccc3F)c(=O)cc2C)c(OC)c1 12230371 CDAPBZNQNXNQLN-UHFFFAOYSA-N 426.444 3.531 0 40 IHAB O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1cccc(Cl)c1N1CCOCC1 12534843 OADYNKSGYFHIPW-UHFFFAOYSA-N 445.991 3.838 0 40 IHAB Cc1ccc([C@H](C(=O)NC2CCCC2)N(CCc2ccccc2)C(=O)c2csnn2)o1 12638580 AEGMKUIMEBRGEK-OAQYLSRUSA-N 438.553 3.925 0 40 IHAB C[C@H]1CN(C(=O)COC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)C[C@@H](C)O1 12650773 ZJRZDWFDSHAJRB-OKILXGFUSA-N 437.418 3.637 0 40 IHAB CCc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)cc1 12808078 BOWUPNWPWMRZNS-SFHVURJKSA-N 438.553 3.791 0 40 IHAB CCCCCCn1nc(C(=O)OCC(=O)NCCc2cccs2)c2ccccc2c1=O 12853503 BIUNHDIOIHKCHX-UHFFFAOYSA-N 441.553 3.554 0 40 IHAB O=C(NCc1ccc(F)cc1)[C@@H](c1ccc(Cl)cc1)N(C(=O)c1csnn1)C1CC1 12873026 CCIDBWVNSZDSTG-LJQANCHMSA-N 444.919 3.993 0 40 IHAB CCOc1ccc(NC(=O)c2cc(C)n(Cc3ccco3)c2C)cc1S(=O)(=O)N(C)C 12935033 RNKXLDVXXMISEF-UHFFFAOYSA-N 445.541 3.648 0 40 IHAB CC(=O)N1CCCc2cc(S(=O)(=O)N(C)Cc3ccc(Br)cc3)ccc21 12976469 RIOVPIOKVAXJMH-UHFFFAOYSA-N 437.359 3.569 0 40 IHAB COc1ccccc1CCNC(=O)CSc1nnc([C@@H](C)Oc2ccc(F)cc2)o1 12982472 OWFQHMMBCLBNDY-CQSZACIVSA-N 431.489 3.808 0 40 IHAB CCn1/c(=N\C(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)sc2ccccc21 13037163 XNURJGJLZAEIHH-GHVJWSGMSA-N 443.594 3.559 0 40 IHAB CCC(C)(C)n1nnnc1[C@H](C(C)C)N(CCCO)Cc1cc2ccc(C)cc2[nH]c1=O 13498570 YOHFRXJDDDOEQW-NRFANRHFSA-N 440.592 3.550 0 40 IHAB CCOC(=O)c1ccc(C)c(NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)c1 13667705 WNCQRTZFAWDABE-UHFFFAOYSA-N 438.933 3.538 0 40 IHAB Cc1ccc(Cl)cc1N(CC(=O)NCCSCc1ccccc1F)S(C)(=O)=O 13669551 SDZMNJWMWKXJCY-UHFFFAOYSA-N 444.981 3.603 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CCCNC(=O)NC1CCCCC1 14160806 UFUNWYWNKMPDME-UHFFFAOYSA-N 425.577 3.860 0 40 IHAB O=C(COc1cc(Cl)c(Cl)cc1Cl)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 14241421 IQMQBVZKYWWVON-GFCCVEGCSA-N 440.776 3.984 0 40 IHAB CC(=O)N[C@@H](CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1cccs1 14368363 XNPPLUSZUPAKOZ-IBGZPJMESA-N 449.598 3.519 0 40 IHAB O=C(CSc1nnc(NC(=O)c2ccco2)s1)Nc1ccccc1Br 15935694 QPXGSPWGLNZZMM-UHFFFAOYSA-N 439.316 3.877 0 40 IHAB CCCCOc1ccc(C(=O)N(Cc2cccc(OC)c2)[C@@H]2CCS(=O)(=O)C2)cc1 16752804 WPLHFPSWZGSZGW-HXUWFJFHSA-N 431.554 3.704 0 40 IHAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O 17162243 SVCYQULFGCRADS-HIFRSBDPSA-N 440.521 3.615 0 40 IHAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2cccc(S(=O)(=O)N(C)C)c2)cs1 18235525 JCRBFTJLIFEUMV-UHFFFAOYSA-N 427.551 3.572 0 40 IHAB COc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(C)c(C)cc2O3)cc1OC 19125163 DEMQNPMNPGBYCA-RTWAWAEBSA-N 427.541 3.705 0 40 IHAB CCOc1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4)NN(Cc4ccccc4)[C@@H]3C2=O)cc1 19171376 SOIABYWLHAPPRM-VXNXHJTFSA-N 427.504 3.705 0 40 IHAB Cc1cc(C(=O)N2CCC[C@@H](c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)C2)c(=O)[nH]c1C 19566752 WTLNZGIUXYTSQC-SUYBPPKGSA-N 437.466 3.516 0 40 IHAB Cc1nc([C@@H]2CCCN(C(=O)c3cnn(C)c3)C2)nc2c1CCCN2CCc1ccccc1 19707030 IWNBKGVVCCLCQF-OAQYLSRUSA-N 444.583 3.534 0 40 IHAB CCn1cc(CN2CCC[C@@H]2c2nc(C)c3c(n2)N(Cc2ccc(F)cc2)C(=O)CC3)cn1 19741741 ULSBOLLDLXTDPK-JOCHJYFZSA-N 448.546 3.957 0 40 IHAB CN(C[C@@H]1COc2ccccc2O1)C(=O)CC1CCN(C(=O)CC2CCCCC2)CC1 19748736 PRZXPXQATRFIEK-OAQYLSRUSA-N 428.573 3.884 0 40 IHAB Cc1nc(CC(=O)N2CC[C@@H](c3cc(C(=O)NCC(C)C)c4ccccc4n3)C2)cs1 19762717 DKGLWOWQJHGYIT-QGZVFWFLSA-N 436.581 3.944 0 40 IHAB CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc(N2CCOCC2)c(N)c1 20154157 VLBXFCPPOOBTAY-UHFFFAOYSA-N 434.334 3.664 0 40 IHAB Cc1ccc(CCCNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3C)CC2)cc1 20450337 DXKIQVPXKAUKML-UHFFFAOYSA-N 428.598 3.594 0 40 IHAB COc1ccccc1-n1nnnc1SCC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C 21331543 UEKMSZSTPPPLML-UHFFFAOYSA-N 449.540 3.513 0 40 IHAB CN(Cc1ccccc1)C(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1 22350755 YKHMGWKISAWDSF-UHFFFAOYSA-N 426.513 3.675 0 40 IHAB COc1ccc([C@H](C)NC(=O)CN(c2ccccc2F)S(=O)(=O)c2cccs2)cc1 22397370 FARRBFVVAXUJPU-HNNXBMFYSA-N 448.541 3.969 0 40 IHAB Cn1nc(CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)c2ccccc2c1=O 22906586 VDHPLAPBEJSIOF-UHFFFAOYSA-N 440.219 3.896 0 40 IHAB Cc1cccc(OCCSc2nc3ccccc3c(=O)n2CCCN2CCOCC2)c1 23138384 AOJOLBCWEHDXPQ-UHFFFAOYSA-N 439.581 3.598 0 40 IHAB COc1cc([C@H](c2sc3nc(C)nn3c2O)N2C[C@@H](C)C[C@@H](C)C2)cc(OC)c1OC 23157991 IAPCCGCKECZCOG-FHSNZYRGSA-N 446.573 3.898 0 40 IHAB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2nc3c(s2)CCC3)c1 25768640 CMTVIAYKUADMER-UHFFFAOYSA-N 429.523 3.694 0 40 IHAB C[C@@H](NC(=O)CN1CCC(NC(=O)c2ccc(F)cc2)CC1)c1ccc2c(c1)CCCC2 27438972 KFWKDSOXXCZYKP-GOSISDBHSA-N 437.559 3.776 0 40 IHAB COc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2C)cc1OC 30753513 TUISVLLTUNBPHF-UHFFFAOYSA-N 446.569 3.507 0 40 IHAB CCOC(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2)C2CC2)c(Br)c1 32770762 PLSCGGVGEWIXOC-UHFFFAOYSA-N 438.343 3.979 0 40 IHAB CNC(=S)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1cc2c(C)ccc(C)c2[nH]c1=O 35313559 MPPVOXJOBZLTTJ-JOCHJYFZSA-N 437.565 3.614 0 40 IHAB O=C(CN1CCN(C(=O)CCCc2c[nH]c3ccccc23)CC1)Nc1ccccc1Cl 36386926 PYIULOKYNLTLGK-UHFFFAOYSA-N 438.959 3.927 0 40 IHAB Cc1cccc(N2CCN(C(=O)CCn3nc(-c4ccc(Cl)cc4)ccc3=O)CC2)c1 41252155 BSOPHTXKMDIQII-UHFFFAOYSA-N 436.943 3.611 0 40 IHAB CSc1ncccc1C(=O)N1CCC(CNS(=O)(=O)c2cc(C)c(C)cc2C)CC1 43960199 UTPJBFDPHIVMRR-UHFFFAOYSA-N 447.626 3.559 0 40 IHAB CCCN(CCC)C(=O)Cn1c(=O)n(Cc2ccc(C)c(C)c2)c(=O)c2sccc21 57426967 FWLWJTBVGGLYKU-UHFFFAOYSA-N 427.570 3.538 0 40 IHAB CC(C)Cn1c(=O)c2sccc2n(CC(=O)Nc2cccc(C(F)(F)F)c2)c1=O 57486012 SVBNRTSXIANICK-UHFFFAOYSA-N 425.432 3.538 0 40 IHAB Cc1ccc(NC(=O)Cn2c(=O)n(-c3ccc(F)c(C)c3)c(=O)c3sccc32)cc1C 57494674 FMCNBHZBNRGNEU-UHFFFAOYSA-N 437.496 3.917 0 40 IHAB CCOC(=O)c1cccc(N(CC)Cc2nnc(C(=O)NCc3ccc(F)cc3)s2)c1 58129941 BKGOOQCGVBXCAQ-UHFFFAOYSA-N 442.516 3.810 0 40 IHAB O=C(Nc1nccs1)[C@@H]1CCCN(C(=O)NCc2ccnc(Oc3ccccc3)c2)C1 58196039 TWIGZEUJAAEPGJ-QGZVFWFLSA-N 437.525 3.891 0 40 IHAB Cc1ccc(C(=O)Nc2ccc([C@@H](O)[C@H]3COCC(=O)N3Cc3ccccc3)cc2)cc1 67896419 FSXXPYPKEBLCJD-ILBGXUMGSA-N 430.504 3.708 0 40 IHAB biogenic,in-vitro COc1ccc(CN2C(=O)CO[C@H](c3ccc(NC(=O)CC(C)(C)C)cc3)[C@H]2CO)cc1 72321325 BDLOZNOYDXQPIA-ZJSXRUAMSA-N 440.540 3.531 0 40 IHAB biogenic,in-vitro COc1cccc(-c2noc([C@H]3CCN(Cc4ccc(OC)c(OC)c4OC)C3)n2)c1 72369912 ZNXDPSAWPMPMEV-KRWDZBQOSA-N 425.485 3.761 0 40 IHAB Cc1cc(S(=O)(=O)Nc2cccnc2N2C(=O)O[C@H](C(F)(F)F)[C@@H]2C)c(C)s1 89582497 DYMFRZIWAMUSBM-ZANVPECISA-N 435.449 3.837 0 40 IHAB COc1cccc(N2CCN(C(=O)c3ccc(CNC(=O)OC(C)(C)C)o3)C[C@H]2C)c1 89939379 RMFOYXQAWHQRJP-MRXNPFEDSA-N 429.517 3.664 0 40 IHAB O=C(CCS(=O)(=O)C1CCCC1)NC1(c2nc(-c3cccs3)no2)CCCCC1 95450509 WTVALHOIRXVPMV-UHFFFAOYSA-N 437.587 3.821 0 40 IHAB COc1cc2ncn(CCCC(=O)O[C@@H](C)c3nc4ccccc4o3)c(=O)c2cc1OC 95462440 FDXYABYHEHJZRU-AWEZNQCLSA-N 437.452 3.640 0 40 IHAB COc1ccc(Cl)cc1NC(=O)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1 96791827 NFMGDDGTNFLPOL-UHFFFAOYSA-N 428.842 3.523 0 40 IHAB COc1ccc2c(c1)OCC(/C=C1/N=C(c3ccc(OC(F)F)c(OC)c3)OC1=O)=C2 96939638 YBJNUGSRJJPHBA-LZYBPNLTSA-N 429.375 3.969 0 40 IHAB Cc1cccc2s/c(=N/C(=O)c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)n(C)c12 100821271 PMYNTDPDDUDLRM-RTDLDRDPSA-N 443.594 3.710 0 40 IHAB CCOc1ccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@H]6C[C@H]56)[C@H]4C3=O)c2)cc1 102085964 CIWFEOSWQPEVPL-RCQJKQRMSA-N 428.488 3.895 0 40 IHAB O=C(Nc1ccccc1C(=O)c1ccccc1)c1cccc(S(=O)(=O)N2CCCC2)c1 219977587 KJBKAQYTOBJMDQ-UHFFFAOYSA-N 434.517 3.954 0 40 IHAB Cc1ccc(CCCNC(=O)[C@H](C)N(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 220201174 KBKCUYBUXGFYMG-INIZCTEOSA-N 442.503 3.917 0 40 IHAB COc1ccccc1N(CCCC(=O)Nc1cccc(Br)c1)S(C)(=O)=O 222576736 JURMKKCPOBYUSH-UHFFFAOYSA-N 441.347 3.643 0 40 IHAB CC[C@H](NC(=O)CN(Cc1ccc(C)cc1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 223136861 MTAMEXPNZQCOMZ-QHCPKHFHSA-N 428.598 3.903 0 40 IHAB O=C(Nc1nnc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)s1)c1ccccc1 223279791 AANKBVGYAPICAU-UHFFFAOYSA-N 429.310 3.898 0 40 IHAB Cc1ccc(C)c(N(CC(=O)NCCOc2ccccc2)S(=O)(=O)c2ccccc2)c1 223466909 QXSSDAMGOKHSHT-UHFFFAOYSA-N 438.549 3.694 0 40 IHAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2C[C@@H]2CCCO2)N1c1ccc2c(c1)OCO2 224008218 QEKBBRJTRDFBFL-IMRHEYAYSA-N 448.548 3.968 0 40 IHAB O=C(NCC1=CCCCC1)[C@H]1CN(S(=O)(=O)c2ccccc2)c2cc(Cl)ccc2O1 224500852 BPTHWPIZQQYPBU-OAQYLSRUSA-N 446.956 3.913 0 40 IHAB CN(Cc1ccccc1F)C(=O)c1ccc(CN(C)S(=O)(=O)c2ccccc2)cc1 224517991 MJSPHLHOTBZZMC-UHFFFAOYSA-N 426.513 3.919 0 40 IHAB CSc1nnc(NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)s1 225314171 SSMQFLNKLODJJF-UHFFFAOYSA-N 448.595 3.787 0 40 IHAB CC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)c1ccccc1C 225501528 ANWDNSUWMKTNCL-QFIPXVFZSA-N 430.570 3.672 0 40 IHAB O=C(c1cccc(C(F)(F)F)c1)N1CCC(Cc2n[nH]c(=O)n2-c2ccccc2F)CC1 225543867 CTIYXFAGSZRBTI-UHFFFAOYSA-N 448.420 3.813 0 40 IHAB CSc1ncccc1C(=O)N1CCC(c2cc(C(=O)Nc3ccccc3F)[nH]n2)CC1 225562741 SNYUKKKSITTXMS-UHFFFAOYSA-N 439.516 3.938 0 40 IHAB Cc1nc(N2CCC(NC(=O)C3(c4ccccc4)CCOCC3)CC2)cc(C(F)(F)F)n1 244950799 FMHKWIZTMSOKIX-UHFFFAOYSA-N 448.489 3.637 0 40 IHAB Cc1ccc(=O)n(CC(=O)N2CCCC[C@@H]2c2ncc(Cc3ccccc3Cl)o2)n1 257219178 DFWTXTVGSPLHOI-LJQANCHMSA-N 426.904 3.538 0 40 IHAB Cn1ccc(NC(=O)CN2CCCC[C@@H]2c2n[nH]cc2-c2ccc(C(F)(F)F)cc2)n1 257316196 VEOGMUKNXGINQT-QGZVFWFLSA-N 432.450 3.995 0 40 IHAB CN1CCN(C(=O)C2(c3ccccc3)CCOCC2)C[C@@H](Cc2cnc3ccccc3c2)C1 257326386 WXAOOEYNCWZTHU-QHCPKHFHSA-N 443.591 3.916 0 40 IHAB Cc1ccccc1C(=O)N1C[C@@H](c2ccnn2C)[C@@]2(CCCN(Cc3ccccc3)C2=O)C1 306138941 SLFDCQVZRHNPIS-WNCULLNHSA-N 442.563 3.777 0 40 IHAB CCNC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cc(C)ccc1OC 408588502 GMBLHJBKJSYDEB-UHFFFAOYSA-N 431.341 3.642 0 40 IHAB Cc1cccc(N(CCCC(=O)N2CCN(c3cccc(C)c3C)CC2)S(C)(=O)=O)c1 408694910 NUIXIOWXGUHGJP-UHFFFAOYSA-N 443.613 3.507 0 40 IHAB COc1c(Cl)cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1Cl 409022920 WFEUAXNLINNDPG-CXUHLZMHSA-N 434.279 3.842 0 40 IHAB O=C(COc1ccccc1/C=C1/NC(=O)N(Cc2ccccc2)C1=O)Nc1ccc(F)cc1 409238205 CRPQLGKTAGDZHK-KGENOOAVSA-N 445.450 3.936 0 40 IHAB CC(C)OCCCNC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1 409267677 VRHXZEGREIPGDW-UHFFFAOYSA-N 438.977 3.851 0 40 IHAB CCc1ccc(N(CC(=O)Nc2ccc(Br)cc2F)S(C)(=O)=O)cc1 409309044 AKBGIEGGSLIZAC-UHFFFAOYSA-N 429.311 3.555 0 40 IHAB CCC[C@@H](C)NC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 409321102 DNAIVUBAJKJTRM-QGZVFWFLSA-N 434.558 3.512 0 40 IHAB C[C@@H]1Oc2c(cccc2C(=O)N[C@@H](Cc2ccc(O)cc2)c2nc3ccccc3[nH]2)NC1=O 520571313 MVVFLWFQBJSOHT-QKKBWIMNSA-N 442.475 3.702 0 40 IHAB Cc1coc2cc3oc(=O)c(CC(=O)N4C[C@@H]5C[C@H](C4)CN4C(=O)CCC[C@H]54)c(C)c3cc12 524730930 CRWBKSFEXIYZNQ-LLGFUMIMSA-N 448.519 3.558 0 40 IHAB biogenic Cc1nc(Nc2nnc(C)s2)cc([C@H]2CCCCN2C(=O)/C=C/c2csc(C)n2)n1 585291360 OCURPFZYLXTUJS-IWAYRVGRSA-N 441.586 4.220 0 40 IHAB C[C@H](C(=O)Nc1ccc(-c2ccc(N3CCCCC3)nn2)cc1)n1nc(C2CC2)ccc1=O 585411878 OWTQDOAQRREOBF-QGZVFWFLSA-N 444.539 3.768 0 40 IHAB C[C@H]1C[C@H](C)CN(Cc2ccccc2CNC(=O)CNC(=O)c2ccc3c(c2)CCC3)C1 589688079 CPKWAAQJQZOERZ-PMACEKPBSA-N 433.596 3.699 0 40 IHAB O=C(NCc1cccc2ccccc12)N1CC[C@@H](Oc2ncc(Br)cn2)C1 606440850 JOVKVLXWTSTSAW-QGZVFWFLSA-N 427.302 3.755 0 40 IHAB Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)N3CC[C@@H](CC(N)=O)C3)c12 673415477 WMJNIDXHKUJLOS-LBPRGKRZSA-N 432.402 3.555 0 40 IHAB O=C1O[C@@]2(CCN(C(=O)c3ccccc3CN3CCCC3)C2)CN1CCc1ccccc1 1848352752 PAPOSVLLNVHRMY-AREMUKBSSA-N 433.552 3.562 0 40 IHAB CCn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1ccc(Cl)cc1 642340 WYXCSLSMNAQWDA-UHFFFAOYSA-N 447.923 3.751 0 40 IHAB CC[C@H](C)[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)OC 2132504 BTYHVYXEVYVEEP-NXHTTZLHSA-N 437.492 3.931 0 40 IHAB biogenic O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)Nc1ncc(Cl)cc1Cl 3250071 KVVXQKPHYVBPEO-UHFFFAOYSA-N 425.253 3.898 0 40 IHAB CN(CC(=O)OCc1csc(-c2ccccc2)n1)S(=O)(=O)c1ccc(Cl)cc1 3370171 SQCMIMSANNMGSR-UHFFFAOYSA-N 436.942 3.827 0 40 IHAB Cc1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)c(Cc2ccccc2)c(Cl)n1 3848747 LKXHPDNKMJOJPC-UHFFFAOYSA-N 430.917 3.848 0 40 IHAB biogenic O=C(COc1ccc(F)cc1)Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCCC2 8779064 ISEAVOAVVCFVLX-MRXNPFEDSA-N 432.517 3.692 0 40 IHAB COc1ccc(-c2cc(=O)oc3cc(O[C@@H](C)C(=O)NCc4ccccn4)ccc23)cc1 8792022 YPBINYWGYJDKCF-INIZCTEOSA-N 430.460 3.947 0 40 IHAB biogenic CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)c(OCC)c2)cc1 8901285 DUXNWTLRQRGAIG-UHFFFAOYSA-N 428.304 3.825 0 40 IHAB CC(=O)Nc1ccc(SCC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cc1 9053825 LMBQHWJAZZHVGD-UHFFFAOYSA-N 435.431 3.975 0 40 IHAB CCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3C)cc1 9165810 XGFCNFNOKTVMOX-UHFFFAOYSA-N 445.541 3.607 0 40 IHAB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)OCC(=O)NCCc1ccc(Cl)cc1Cl 9169885 PTXLFZOZPNIKKS-MRXNPFEDSA-N 445.343 3.595 0 40 IHAB Cc1cc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2)ccc1F 9352296 JAIMUWWRRPDDBD-UHFFFAOYSA-N 428.441 3.916 0 40 IHAB CCOC(=O)[C@H](Sc1nc(SC)nc2sc3c(c12)CC(C)(C)OC3)C(C)=O 9487880 DQYSRQZLDZRNDJ-CYBMUJFWSA-N 426.585 3.877 0 40 IHAB Cc1ccc(-c2nnc(-c3ccc(C(=O)N4CCN(C(=O)c5ccco5)CC4)cc3)o2)cc1 9642620 XRARWVAZFNISAT-UHFFFAOYSA-N 442.475 3.903 0 40 IHAB Cc1cccc(N2C[C@H](C(=O)Nc3cc(C(F)(F)F)ccc3-n3cncn3)CC2=O)c1C 9670229 QROMCLXHEFWQSN-OAHLLOKOSA-N 443.429 3.895 0 40 IHAB COc1ccc(C(=O)Oc2coc(CSc3nc(C)cc(C)n3)cc2=O)cc1OC 9829216 PEIIXIRCLNQAIU-UHFFFAOYSA-N 428.466 3.575 0 40 IHAB COc1ccc(CNC(=O)C(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccs2)cc1 10220736 IIIDJHXECNBFNA-UHFFFAOYSA-N 449.532 3.605 0 40 IHAB CS(=O)(=O)N(CC(=O)N1CC=C(c2c[nH]c3ccccc23)CC1)c1cccc(Cl)c1 11074796 WKMKSNPRFYZPSL-UHFFFAOYSA-N 443.956 3.903 0 40 IHAB Clc1ccc(CSc2nnc(N3CCOCC3)n2C[C@H]2CCCO2)c(Cl)c1 11762238 QNVZIBZJHKXIHE-OAHLLOKOSA-N 429.373 3.893 0 40 IHAB Cn1c(SCC(=O)N2CCCCC2)nnc1-c1ccc(NC(=O)c2ccccc2)cc1 12496481 FXUGDFHLSWYCGS-UHFFFAOYSA-N 435.553 3.839 0 40 IHAB CC(C)n1ncc2c(C(=O)N3CCc4c(sc5ncnc(N)c45)C3)cc(C3CC3)nc21 12608333 AIDAIUOJVMHOPB-UHFFFAOYSA-N 433.541 3.675 0 40 IHAB Cc1cccc(-n2ccnc2S[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c1 12627294 XGIIHDVXWVVIRL-INIZCTEOSA-N 444.582 3.550 0 40 IHAB CN(Cc1cccs1)C(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 12798387 GCMGQZDMCHJPCX-UHFFFAOYSA-N 446.516 3.826 0 40 IHAB COc1cc(C(=O)Nc2nc(CN3C[C@H](C)O[C@H](C)C3)cs2)ccc1OC(F)F 12887700 AXLHMVZGTVXUFX-TXEJJXNPSA-N 427.473 3.615 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc3c(cc2Cl)OCCO3)ccc1C 12924147 YRUJMGXXYRVLBH-UHFFFAOYSA-N 438.933 3.702 0 40 IHAB Cc1ccc2oc(C(=O)N(C)CC(=O)Nc3ccc(Br)cc3C)cc(=O)c2c1 12980740 VWUJYAIPXSCLFC-UHFFFAOYSA-N 443.297 3.883 0 40 IHAB COC(=O)c1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1 13678801 SLXWSNKVXKXPIX-UHFFFAOYSA-N 430.507 3.612 0 40 IHAB O=C(NCc1ccncc1)c1ccc2nc(NS(=O)(=O)c3ccc(F)cc3)sc2c1 13731182 LDSIAOJHWSBTOK-UHFFFAOYSA-N 442.497 3.561 0 40 IHAB CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 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IHAB O=C(CCC1CCCC1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(Cc1ccncc1)C2 19405370 UQHHVPUNDQGISI-QHCPKHFHSA-N 449.599 3.747 0 40 IHAB COc1cccc(CN2CCC[C@H](c3cc(N)n4nc(-c5ccco5)cc4n3)C2)c1OC 19567780 PMNCYIUJZCJHSQ-INIZCTEOSA-N 433.512 3.968 0 40 IHAB Cc1noc(C)c1CCC(=O)N1CCNC(=O)[C@@H](Cc2cccc(-c3ccccc3)c2)C1 19580744 CIAKXPLDFJGZDC-QHCPKHFHSA-N 431.536 3.708 0 40 IHAB CCn1ccnc1CN1CCC(c2ncc(C(=O)Nc3ccc(OC)cc3)c(C)n2)CC1 19763847 ZPMGBPMIHFGYAT-UHFFFAOYSA-N 434.544 3.642 0 40 IHAB CCOC(=O)[C@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@H]1c1ccc(Cl)cc1 19818324 PKJJSRDTLWBESI-UXHICEINSA-N 441.915 3.842 0 40 IHAB Cc1ccc(C)c(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(F)cc2)c1 20007744 MTCHJJYOEUGAOP-QFIPXVFZSA-N 426.513 3.971 0 40 IHAB CS(=O)(=O)N1C[C@H](C(=O)Nc2cc(Cl)ccc2Cl)Oc2ccc(Cl)cc21 20107386 JZDSAPFXCHWRMW-OAHLLOKOSA-N 435.716 3.813 0 40 IHAB CC(C)CCNC(=O)COc1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 22232317 UMACSSRGILQBGD-UHFFFAOYSA-N 438.977 3.847 0 40 IHAB COc1ccc(C)c2sc(N(CCN3CCOCC3)C(=O)c3cccc(C)c3)nc12 22998675 SVDXBCIQZLMQEV-UHFFFAOYSA-N 425.554 3.901 0 40 IHAB CCc1cccc(NC(=O)Cn2nc(-c3ccco3)c3sc(N4CCCC4)nc3c2=O)c1 23109039 NSNLCDQGDJHLCX-UHFFFAOYSA-N 449.536 3.914 0 40 IHAB COc1cccc(CSc2nc(O)cc(CC(=O)NCCc3c[nH]c4ccccc34)n2)c1 23138097 QCCBNBFXOKJXKN-UHFFFAOYSA-N 448.548 3.866 0 40 IHAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)Nc3cccc(OC(C)C)c3)CC2)cc1 24609022 HBHUSMSDVSTPDN-UHFFFAOYSA-N 430.570 3.963 0 40 IHAB O=C(c1csc(-c2ccsc2)n1)N1CCC(NS(=O)(=O)c2cccs2)CC1 26113879 ZGZZSILVQAMAQW-UHFFFAOYSA-N 439.609 3.516 0 40 IHAB CC(C)(C)c1cc(NC(=O)c2ccc(Br)s2)n([C@@H]2CCS(=O)(=O)C2)n1 26492841 MTEGISDUBFIYQO-SNVBAGLBSA-N 446.392 3.617 0 40 IHAB CN(CCCNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccccc1 27144724 CMKPIIJUCCWWAK-UHFFFAOYSA-N 429.567 3.805 0 40 IHAB O=C(c1ccc(S(=O)(=O)NC2CC2)cc1)N1CCc2sccc2[C@H]1c1ccccc1 29280151 WDMOYPNWHPIOBW-JOCHJYFZSA-N 438.574 3.977 0 40 IHAB CCN1CCN(c2ccc(NC(=O)[C@H]3CC(=O)N(c4cccc(C)c4C)C3)c(C)c2)CC1 29374104 WIQWTLZQEMYJFS-NRFANRHFSA-N 434.584 3.745 0 40 IHAB CCCCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1[C@@H](CC)N(C)C 29595248 FVADWLRHRSTPDZ-MRXNPFEDSA-N 433.578 3.593 0 40 IHAB COc1cc(NC(=O)NCc2ccc(NC(=O)c3ccco3)cc2)ccc1N1CCCC1=O 31028573 SSXBLPGGQRJDOG-UHFFFAOYSA-N 448.479 3.989 0 40 IHAB CCN1CCN(Cc2ccccc2CNS(=O)(=O)/C=C/c2ccc(Cl)cc2)CC1 32916505 SPSYTVMLPXQKDU-LFIBNONCSA-N 434.005 3.568 0 40 IHAB CN(C)C(=O)Nc1cc(CNc2ccccc2C(=O)Nc2ccc3cn(C)nc3c2)ccn1 35801483 KYNHWVSHYKPILI-UHFFFAOYSA-N 443.511 3.926 0 40 IHAB Cn1ncc(C2CC2)c1NC(=O)CCn1c(=O)cc(C(F)F)c2cn(C3CCCC3)nc21 36621279 VLNGPXGSJCXDAE-UHFFFAOYSA-N 444.486 3.890 0 40 IHAB CCn1ncc2c(C(=O)N(C)CC(=O)Nc3ccc(OC)cc3)cc(-c3ccccc3)nc21 36727065 FDCNFNUWBNRPDR-UHFFFAOYSA-N 443.507 3.838 0 40 IHAB CCOc1ccc(NC(=O)COc2cc(C)nc(N3CCN(c4ccccc4)CC3)n2)cc1 48985713 FAFQONJDBDKLAZ-UHFFFAOYSA-N 447.539 3.528 0 40 IHAB CN(CC(=O)NCCN1C(=O)S/C(=C/c2ccccc2)C1=O)[C@H]1CCCc2ccccc21 49573726 RZOXPHAJAHPADT-IFRHDIGASA-N 449.576 3.849 0 40 IHAB Cc1ccccc1-n1c(=O)c2sccc2n(CC(=O)Nc2ccc(Cl)cc2F)c1=O 57489739 XQCATNISJSWHCL-UHFFFAOYSA-N 443.887 3.954 0 40 IHAB Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)Nc3cc(F)ccc3F)c2=O)cc1C 57491203 UHWUCMOXSWQOLZ-UHFFFAOYSA-N 441.459 3.748 0 40 IHAB CC(C)(NC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1ccc2c(c1)OCO2 58420606 AEBWFXMLLJFACG-ZDUSSCGKSA-N 434.414 3.839 0 40 IHAB CC[C@@H](C)n1c(SCC(=O)Nc2ccc(NC(C)=O)cc2)nc2cc(C)[nH]c2c1=O 67239175 LGAFTNQROQLFHN-CYBMUJFWSA-N 427.530 3.693 0 40 IHAB COc1ccccc1[C@H](CNC(=O)c1cccc(NC(=O)c2cccnc2)c1)N1CCCC1 70010993 WHRGSGGJWIGBGC-QHCPKHFHSA-N 444.535 3.909 0 40 IHAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](c2ccc(Nc3ccccn3)cn2)C1 72353427 WJGMPADJHMLFPZ-MRXNPFEDSA-N 442.516 3.936 0 40 IHAB COc1ccc2[nH]c(=O)c(CNc3ccc(N4CCOCC4)cc3)cc2c1Br 72396183 BZWVGTLFPDZUAH-UHFFFAOYSA-N 444.329 3.748 0 40 IHAB C[C@H](C(=O)Nc1ccc(Br)cc1Br)N1CCC[C@H](CC(=O)O)C1 89553035 RYNIUVHBZYNNGX-GHMZBOCLSA-N 448.155 3.725 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c(C)c1 89614453 JZHGOIKTLIGOMI-UHFFFAOYSA-N 430.551 3.929 0 40 IHAB CCOc1ccc(NC(=O)[C@@H](C)N(c2cc(Cl)ccc2OC)S(C)(=O)=O)cc1 113940570 PYNTXIDLEQAREP-CYBMUJFWSA-N 426.922 3.541 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(F)c3)C2)cc1Cl 138951507 WUNWYLJFVXXTLP-ZDUSSCGKSA-N 426.897 3.527 0 40 IHAB COc1cccc(-c2noc(CNC(=O)[C@@H](C)Oc3ccc(Br)cc3)n2)c1 219691094 ATFXDDRTHLKYAU-GFCCVEGCSA-N 432.274 3.591 0 40 IHAB Cc1ccc2c(c1)[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)CC(C)(C)O2 219698470 VLFZCSAJMIXFFG-GOSISDBHSA-N 436.961 3.688 0 40 IHAB CC[C@@H](C(=O)NCc1ccc(Cl)cc1)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 220746698 LMJJYLPJKQNKFT-KRWDZBQOSA-N 445.368 3.863 0 40 IHAB CCOc1ccccc1N(CCCC(=O)Nc1cc(Cl)ccc1OC)S(C)(=O)=O 222610275 GBKZSDNIFBGBOR-UHFFFAOYSA-N 440.949 3.932 0 40 IHAB Cc1ccc(Cl)cc1NC(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 222670812 SHIRDACNDAKEFT-UHFFFAOYSA-N 438.933 3.605 0 40 IHAB CCOc1ccccc1CNC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)cc2)cc1 223985170 LNZGIWULGHVVQA-UHFFFAOYSA-N 440.521 3.825 0 40 IHAB Cc1ccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c(C)c1 224021816 CTPGCDCTLDWYSI-UHFFFAOYSA-N 430.570 3.595 0 40 IHAB Cc1ccc(OCCNC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1Cl 224138533 GOOPXRPHCMHPGI-CQSZACIVSA-N 445.368 3.652 0 40 IHAB CCC(=O)Nc1nnc(S(=O)(=O)N[C@H](c2ccccc2)c2ccc(C)cc2C)s1 224569046 VRDAWNFGZUHKOY-GOSISDBHSA-N 430.555 3.571 0 40 IHAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)s2)c1 224807609 FWGNMCUUWWEVTR-UHFFFAOYSA-N 426.882 3.692 0 40 IHAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc2c(c1)OCCO2 225242072 RAFFXYNWBAEXJX-ROUUACIJSA-N 442.531 3.862 0 40 IHAB COc1ccc(N2C(=O)CS[C@]23C(=O)N(CN2CCC(C)CC2)c2ccccc23)cc1 226762651 LBJPKDMUEIGHAZ-XMMPIXPASA-N 437.565 3.664 0 40 IHAB Cc1cccnc1Nc1cncc([C@@H]2CCCN2C(=O)CCn2c(=O)oc3ccccc32)n1 257237049 HEYCWPLGFFBMSW-SFHVURJKSA-N 444.495 3.585 0 40 IHAB Cc1ccc(OC(C)(C)C(=O)N2CC[C@@H](c3ncncc3-c3ccnc(N)c3)C2)cc1C 257249813 JJWBCBJITSVNIN-LJQANCHMSA-N 431.540 3.911 0 40 IHAB Cc1noc(C)c1S(=O)(=O)N1CC[C@@H](c2c(C(=O)NC(C)C)sc3ccccc23)C1 257261230 LGGTXRHCUZGKLN-OAHLLOKOSA-N 447.582 3.823 0 40 IHAB CC(=O)NCc1ccc([C@H]2CCCN2C(=O)C2(Cc3ccccc3F)CCOCC2)nc1 257279817 OIIAAHDOIKSTDY-HSZRJFAPSA-N 439.531 3.560 0 40 IHAB CC(C)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)cc1 408590054 IVBVTQOUBLMGIU-ZDUSSCGKSA-N 445.368 3.764 0 40 IHAB O=C1[C@@H]2[C@@H](C(=O)N1C[C@@H]1CCCO1)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408649485 DRPRLNNGIYDTSZ-IERYTOKVSA-N 428.315 3.759 0 40 IHAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(F)c(Cl)c2)C1 408713527 FYSZROLBAWDIBF-LBPRGKRZSA-N 444.887 3.666 0 40 IHAB COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)c(OC)c1 409179842 NWGQBCKVYXOSQY-VXLYETTFSA-N 426.494 3.996 0 40 IHAB CCOc1ccc(/C=C2\SC(=O)N(CC(=O)NCc3ccc(C)cc3)C2=O)cc1OC 409202394 SGXDQSLPFWHPCI-NDENLUEZSA-N 440.521 3.755 0 40 IHAB O=C(CCSc1ccc2nncn2n1)Nc1nc2ccc(OC(F)(F)F)cc2s1 524733748 MSSURFUADCVVQQ-UHFFFAOYSA-N 440.432 3.754 0 40 IHAB CN1Cc2ccccc2[C@H](NC(=O)N2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)C1 533849990 QKJGIRNWVDEJLX-VGOFRKELSA-N 439.535 3.556 0 40 IHAB O=C(N[C@@H]1CCc2ccc(-c3ccccc3)cc21)c1cnc2c(c1)c(O)nc(=O)n2C1CC1 548643394 AWAUMJLFPZISEU-JOCHJYFZSA-N 438.487 3.916 0 40 IHAB CCN1CCN(C(=O)CCCn2ccnc2C)[C@H](Cc2ccc(-c3ccccc3)cc2)C1=O 585168864 SVEFJUHVJUCZOR-RUZDIDTESA-N 444.579 3.941 0 40 IHAB NC(=O)[C@@H]1CCCN(CCCNC(=O)c2cc(Cl)ccc2Oc2ccc(F)cc2)C1 590315686 BXZHGGXJTIEARJ-OAHLLOKOSA-N 433.911 3.589 0 40 IHAB CCN1CCCCCCN(C(=O)CN(C)C)[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643581810 BDWSUETUJFOMDL-GGAORHGYSA-N 429.605 3.803 0 40 IHAB O=C(NCCN1CCCc2ccccc21)c1nccnc1C(=O)Nc1ccc(Cl)cc1 673641714 VMWCIQRQIZIJIQ-UHFFFAOYSA-N 435.915 3.565 0 40 IHAB C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]2c2cccc(F)c2)n1C[C@H]1CC[C@@H](C)C1 1693618349 YBVZUBLFDZUWKL-NHAYFPRASA-N 449.596 3.805 0 40 IHAB Cc1cc2ncn(S(=O)(=O)c3ccc(S(=O)(=O)NC4CCCCC4)cc3)c2cc1C 1330456 WFWXHMMJUYALTN-UHFFFAOYSA-N 447.582 3.501 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)c2c(N)n(C[C@H]3CCCO3)c3nc4ccccc4nc23)c1 2415683 JFHYOTANLREDCT-MRXNPFEDSA-N 436.537 3.795 0 40 IHAB CSc1nc2ccc3nc(NC(=O)CN4C(=O)c5ccccc5C4=O)sc3c2s1 2483592 PAZUZFDMJMRQTF-UHFFFAOYSA-N 440.531 3.863 0 40 IHAB CC1CCN(C(=O)CS(=O)(=O)c2cn(Cc3ccc(F)cc3)c3ccccc23)CC1 2722238 ZGQPWONVWGCFNP-UHFFFAOYSA-N 428.529 3.861 0 40 IHAB O=C(OCC(=O)c1ccc(Cl)s1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 3253563 UGSXVWCPOFQFCJ-UHFFFAOYSA-N 448.349 3.879 0 40 IHAB O=C1c2ccccc2C(=O)N1CCSc1nnc(-c2ccccc2)n1Cc1ccco1 3536115 HJGLCQBXBLWQDV-UHFFFAOYSA-N 430.489 3.975 0 40 IHAB Cc1c(NC(=S)Nc2ccc(-c3nnc(S)o3)cc2)c(=O)n(-c2ccccc2)n1C 3670770 LQVIRIHZPNCJNP-UHFFFAOYSA-N 438.538 3.632 0 40 IHAB Cc1ccc(S(=O)(=O)CCC(=O)OCCOc2cccc(Br)c2)cc1 8626047 MOGQSRYBLHOYJK-UHFFFAOYSA-N 427.316 3.544 0 40 IHAB COc1ccc(NC(=O)Cc2ccc3c(c2)CCC3)cc1S(=O)(=O)N1CCCCC1 8825792 UFSVTJWTPZFGFH-UHFFFAOYSA-N 428.554 3.540 0 40 IHAB COc1ccc(-c2nc(NC(=O)c3ccc4c(c3)CCN4S(C)(=O)=O)sc2C)cc1 8861581 GCOHXTCBLHAOIM-UHFFFAOYSA-N 443.550 3.702 0 40 IHAB Cn1c(Cc2nc(-c3ccc4c(c3)CCCN4S(C)(=O)=O)cs2)nc2ccccc21 9199023 GBQTWYCNWBWTBQ-UHFFFAOYSA-N 438.578 4.000 0 40 IHAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)C1=CC=CN2CCS(=O)(=O)N=C12 9498850 BJDSXVNXGDHOGW-UHFFFAOYSA-N 429.885 3.568 0 40 IHAB O=C(Nc1cccc2cccnc12)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 10021219 CWYTUDXTKYKVAQ-UHFFFAOYSA-N 431.464 3.552 0 40 IHAB COc1ccc(-c2noc(-c3nnn(-c4cc(Cl)c(OC)cc4OC)c3C)n2)cc1 10273826 BUSABUCZSQZCEA-UHFFFAOYSA-N 427.848 3.972 0 40 IHAB O=C(Nc1ccc(I)cc1)[C@@H]1CCCN1c1ncnc2ccccc12 11247084 VWHITTZYOQJAIZ-KRWDZBQOSA-N 444.276 3.842 0 40 IHAB Cc1cc(=O)n2c(-c3ccc(NS(=O)(=O)c4cc(F)ccc4F)cc3)csc2n1 11696405 WNCUZESKTLQNSA-UHFFFAOYSA-N 433.461 3.810 0 40 IHAB COc1cccc(COc2coc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)cc2=O)c1 11963415 UXDPJOGCDNWBCN-UHFFFAOYSA-N 441.436 3.506 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1N[C@@H](C)C(=O)NC1CCCCC1 12766043 UJOCZYNKRCGTHJ-KRWDZBQOSA-N 437.606 3.509 0 40 IHAB CCN(CC)C(=O)[C@@H](c1ccccc1)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 12934925 WHWQVFDSPNBWKN-XMMPIXPASA-N 436.552 3.962 0 40 IHAB O=C1[C@H]2Sc3[nH]c(=O)sc3[C@@H](c3ccc(O)cc3)[C@H]2C(=O)N1c1ccc(Cl)cc1 13016624 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CC(C)N1CCC(CN(C)C(=O)c2cc(-c3ccncc3)c(N3CCOCC3)s2)CC1 19447800 CISDFRUPQQXCQD-UHFFFAOYSA-N 442.629 3.839 0 40 IHAB CCN1CCN(C(=O)c2ccccc2OC)C[C@@H](Cc2cccc(-c3cccnc3)c2)C1=O 19527560 XQPBOXXLYUFTER-HSZRJFAPSA-N 443.547 3.920 0 40 IHAB CCOC(=O)[C@]1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCCN(Cc2cncn2CC)C1 19578622 OHAJZVVXTJCKQX-URXFXBBRSA-N 442.535 3.771 0 40 IHAB CNC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)CCc2c(C)n[nH]c2C)C1 19578863 FHUMOJUNXRAKKU-HHHXNRCGSA-N 444.579 3.834 0 40 IHAB Cc1cccc(CN2CCC(c3nc(N(C)C)ncc3-c3cccc(C(N)=O)c3)CC2)c1 19687669 FFMPCYYKJFSDRU-UHFFFAOYSA-N 429.568 3.997 0 40 IHAB CN1CCO[C@H](c2c(C(=O)NCc3nc(Cc4ccccc4)no3)sc3ccccc23)C1 19696681 SDWWRVKFVOWDEY-SFHVURJKSA-N 448.548 3.808 0 40 IHAB Nc1nc(-c2ccccc2)nc2nc([C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)ccc12 19743286 RUODDYOQFVXFND-SFHVURJKSA-N 445.548 3.842 0 40 IHAB O=C(Nc1ccc(F)c(C(F)(F)F)c1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 20016916 BVZOLSJAHMPMJI-ZDUSSCGKSA-N 430.423 3.884 0 40 IHAB COc1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1S(=O)(=O)N1CCCCC1 20024962 SGNCBTORXOAOMS-FQEVSTJZSA-N 428.554 3.677 0 40 IHAB CCCCSc1nc(N2CCN(CCO)CC2)c2c3c(sc2n1)COC(C)(C)C3 20441586 VSPPHGVHGNJVOO-UHFFFAOYSA-N 436.647 3.549 0 40 IHAB Cc1csc2nc(COC(=O)c3ccccc3NC(=O)c3cccs3)cc(=O)n12 21633134 INASKYURZFRIBV-UHFFFAOYSA-N 425.491 3.735 0 40 IHAB Cc1cc(=O)c(C(=O)N2CCC[C@H](C(F)(F)F)C2)nn1-c1ccccc1C(F)(F)F 21961224 HLKWIKGIPQWUCV-LBPRGKRZSA-N 433.352 3.974 0 40 IHAB CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(OCC(=O)NC2CCCC2)cc1 22232014 DRPUTSIEBRKRIY-UHFFFAOYSA-N 436.961 3.744 0 40 IHAB CCOc1cccc(N(CC(=O)Nc2ccc(OC3CCCC3)cc2)S(C)(=O)=O)c1 22401552 WMTFVFQXEPBNSG-UHFFFAOYSA-N 432.542 3.811 0 40 IHAB O=C(CCn1nc(O)c2ccccc2c1=O)N1CCC(c2nc3ccccc3s2)CC1 22977098 WRCUGYZAYRGJPT-UHFFFAOYSA-N 434.521 3.508 0 40 IHAB C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1ccc2c(c1)CCCC2 24275873 KXALJCWRDZUORZ-JXFKEZNVSA-N 432.611 3.905 0 40 IHAB CC[C@H](Oc1ccc(F)cc1)C(=O)N(Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 28228508 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CCCCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(C)c(F)c1 40059934 JMAAZKWZZTZDTB-UHFFFAOYSA-N 449.548 3.619 0 40 IHAB CSc1ncccc1C(=O)N1CCC(CNC(=O)c2ccccc2Br)CC1 44001582 VGSRPGLOMRYNTM-UHFFFAOYSA-N 448.386 3.848 0 40 IHAB COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2ccc(OCC(C)C)cc2)c1 59294580 SBNBNMQPJWVZEK-UHFFFAOYSA-N 425.529 3.512 0 40 IHAB COc1ccccc1Cn1c(=O)c2sccc2n2c(=O)n(Cc3cc(C)ccc3C)nc12 64946407 RCDQGIQBHSISNQ-UHFFFAOYSA-N 446.532 3.594 0 40 IHAB CCOc1ccc(-c2noc(-c3ccc4c(=O)n(Cc5ccccc5)c(=O)[nH]c4c3)n2)cc1 67341497 ONBCSMDBZFFNAR-UHFFFAOYSA-N 440.459 3.854 0 40 IHAB Cc1csc([C@](O)(CC(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)C(F)(F)F)n1 84268115 CDNCBYVBOXVLNC-RHSMWYFYSA-N 434.867 3.845 0 40 IHAB COC(=O)[C@@H]1Oc2cc(C)oc(=O)c2[C@@H]1c1cccc(OC)c1OCc1ccccc1F 85413595 GXQQVEWWWFSXQW-SIKLNZKXSA-N 440.423 3.741 0 40 IHAB O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)N(C[C@H]1CCCO1)C[C@H]1CCCO1 89781040 PHTGNKBIXLQHLA-FGZHOGPDSA-N 429.561 3.895 0 40 IHAB CCOC(=O)c1c(NC(=O)CCN[C@H](C(N)=O)[C@H](C)CC)sc(C)c1-c1ccccc1 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O=C(O)c1ccc(CN(Cc2ccccc2)C(=O)c2ncn(-c3cccc(F)c3)n2)cc1 585091752 IZPFUMZPWRICQK-UHFFFAOYSA-N 430.439 3.947 0 40 IHAB CN1CCC(N2CC[C@H]3CC(=O)Nc4cc(-c5cccnc5)ccc4OCC[C@H]3C2)CC1 1534646085 BDKHXHOLAKNNPW-UNMCSNQZSA-N 434.584 3.892 0 40 IHAB C[C@H]1CC[C@H](C(=O)N2CCO[C@@]3(C2)C(=O)N(Cc2cccnc2)C[C@@H]3c2ccccc2)CC1 2055793411 ZAUHGGYERGYKFO-ZCIWVVNKSA-N 447.579 3.632 0 40 IHAB CC(=O)N1[C@H](C(=O)N2CCN(c3ccccc3)CC2)CS[C@@H]1c1ccc(Cl)cc1 821706 LXSHMVZWNQKNGG-RBBKRZOGSA-N 429.973 3.651 0 40 IHAB O=C(NC[C@H]1CCCO1)[C@@H]1CC(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C1 1089445 VDVUKNXOFXNYSI-YLJYHZDGSA-N 428.916 3.567 0 40 IHAB O=C(OCc1ccccc1)[C@H]1[C@H]2C=C[C@]3(CN(c4cccc(C(F)(F)F)c4)C(=O)[C@H]13)O2 1425706 VYTHPKMZKZLIDA-MDPIYQRISA-N 429.394 3.735 0 40 IHAB CC1(C)[C@H]2CC[C@@]13CS(=O)(=O)N(C(=O)c1cc(Cl)c(Cl)cc1C(=O)O)[C@@H]3C2 2529184 RFABDSDXSYNRJG-CJHVETNYSA-N 432.325 3.672 0 40 IHAB COc1ccc(C)cc1NC(=O)[C@@H](Sc1nnc(-c2cccnc2)n1N)c1ccccc1 2629854 ZAZHRZWLAVQTGA-FQEVSTJZSA-N 446.536 3.843 0 40 IHAB 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Cc1ccn2c(=O)cc(COC(=O)c3ccc(-c4ccc5c(c4)OCCO5)s3)nc2c1 10021953 KDNIBGPYZVLNGY-UHFFFAOYSA-N 434.473 3.860 0 40 IHAB COc1cc(CCC2CCN(C(=O)c3ccc(CS(C)(=O)=O)cc3)CC2)cc(OC)c1 10028916 CPTJVBOMYFMCNS-UHFFFAOYSA-N 445.581 3.733 0 40 IHAB Cc1ccc(Cl)cc1NC(=O)COC(=O)CCS(=O)(=O)c1ccc(Cl)cc1 10317642 FLFDVXWKWMTACT-UHFFFAOYSA-N 430.309 3.648 0 40 IHAB Fc1ccc(-c2noc(CSc3nnc(N4CCCC4)n3C[C@H]3CCCO3)n2)cc1 10873228 USLVYUXJWWGKSV-MRXNPFEDSA-N 430.509 3.539 0 40 IHAB Cc1ccc(Oc2cc(N3CCN(S(=O)(=O)c4cccc(F)c4)CC3)nc(C)n2)cc1 12225153 KXEKHRZQBKNVAX-UHFFFAOYSA-N 442.516 3.536 0 40 IHAB COC(=O)c1cccc(NC(=O)CSc2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)c1 12494163 AFATUSHZTLQYHW-LLVKDONJSA-N 443.550 3.627 0 40 IHAB CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 12857962 HJWBWMYQMUDNQF-QFIPXVFZSA-N 446.334 3.951 0 40 IHAB COc1cc(CCC2CCN(CN3C(=O)N[C@@]4(CCCC[C@@H]4C)C3=O)CC2)cc(OC)c1 12943495 YDQOHLCNNABMOB-AVRWGWEMSA-N 443.588 3.807 0 40 IHAB Cc1nn(-c2ccccc2)c2sc(C(=O)OCC(=O)NC(=O)NCc3ccccc3)cc12 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Cc1ccc(C)c(N2CCN([C@@H](c3ccncc3)c3nnnn3Cc3ccccc3)CC2)c1 26438934 NZQGUKZJPGMDTA-VWLOTQADSA-N 439.567 3.645 0 40 IHAB CCOc1ccc(NCC(=O)Nc2ccccc2C(C)(C)C)cc1S(=O)(=O)N(C)C 29933608 CWPZNSJOVZABCN-UHFFFAOYSA-N 433.574 3.684 0 40 IHAB O=C(c1ccc(Cl)cc1)c1ccccc1C(=O)N1CCN(C(=O)N2CCCCC2)CC1 32905471 DXUQNXUKOFMCFO-UHFFFAOYSA-N 439.943 3.935 0 40 IHAB CCN(CC(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1ccc(Br)cc1 39985181 LVJWTYQXCDWMPI-UHFFFAOYSA-N 425.348 3.715 0 40 IHAB Cc1c(C(=O)N(C)C)sc2[nH]c(=O)c(C(=O)Nc3ccc(Cl)cc3Cl)c(O)c12 49008055 BZBHIEIRIGOVNG-UHFFFAOYSA-N 440.308 3.865 0 40 IHAB Cc1ccc(Cn2ccs/c2=N/C(=O)CSc2nnc3[nH]c4ccccc4n23)cc1 50634581 ZIDMZKNIIWRASL-BSYVCWPDSA-N 434.550 3.650 0 40 IHAB CN(C[C@H]1CCCN(C(=O)NC[C@@H](c2ccco2)N2CCCC2)C1)C(=O)OC(C)(C)C 58080042 PFLAUIRUKZRSSJ-MOPGFXCFSA-N 434.581 3.705 0 40 IHAB O=C(CSCC(=O)Nc1ccc(I)cc1)Nc1ccccc1 59267932 ALLDHKDYGXXXRP-UHFFFAOYSA-N 426.279 3.602 0 40 IHAB Cc1ccc(-c2ncc(C(=O)NCCC(=O)N3CCN(c4ccccc4)CC3)s2)c(C)c1 60275897 XJJZPBKTQOBOFV-UHFFFAOYSA-N 448.592 3.896 0 40 IHAB CCOc1ccc(-n2ccn3c(SCC(=O)Nc4ccc(C)c(C)c4)nnc3c2=O)cc1 64593932 KFYIXPKQQROIKZ-UHFFFAOYSA-N 449.536 3.627 0 40 IHAB CC(=O)N(Cc1ccc(F)cc1)c1nc2ccccc2n(CC(=O)Nc2ccccc2)c1=O 64791409 BERYOVQWIGJNTC-UHFFFAOYSA-N 444.466 3.727 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2[C@@H](C)CC)cc1 67238709 DSBJACXGHKWMIS-AWEZNQCLSA-N 442.541 3.912 0 40 IHAB O=C(c1ccc2c(=O)[nH]c(S)nc2c1)N1CCC[C@@H]1c1cccc(Br)c1 69598391 SUOXPADYKWUDFP-MRXNPFEDSA-N 430.327 3.952 0 40 IHAB CNC(=O)c1ccc(-c2cc(C)nc([C@H]3CCCN(C(=O)c4sc(C)nc4C)C3)c2)cn1 72353648 KXBOJKOCOIBBDL-SFHVURJKSA-N 449.580 3.905 0 40 IHAB CC(C)c1cc(C(F)(F)F)c2c([C@H]3CCCN(C(=O)[C@@H](C)n4cncn4)C3)noc2n1 72390252 BOXPSPKIXWZYSH-OLZOCXBDSA-N 436.438 3.924 0 40 IHAB CNC(=O)[C@]1(Cc2ccc(-c3ccccc3)cc2)CCCN(Cc2c(C)nn(C)c2OC)C1 72391309 GLOGUGHLVIQDRN-MHZLTWQESA-N 446.595 3.975 0 40 IHAB O=C(O)/C(=C/c1ccc2ccccc2c1)c1ccc(S(=O)(=O)N2CCOCC2)s1 96766893 ZWMGSPYGWVWDPX-NBVRZTHBSA-N 429.519 3.547 0 40 IHAB 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CCCc1cc(C(=O)N2CCN(CCC)C(=O)[C@H]2Cc2ccc(-c3cccnc3)cc2)no1 257259743 KZTNAHGAOMJTLR-XMMPIXPASA-N 446.551 3.995 0 40 IHAB Cc1cc(OC[C@]2(CC(N)=O)CCCN(C(=O)c3cccnc3Cl)C2)ccc1Cl 257301819 SABDMQWKPVWPOH-NRFANRHFSA-N 436.339 3.874 0 40 IHAB CN(C)c1nc2ccccc2cc1CN1CCO[C@@H](c2cccc(-c3cncnc3)n2)C1 257312772 UPLJCYQSPWTLDY-XMMPIXPASA-N 426.524 3.726 0 40 IHAB COc1cccc(OC)c1C(=O)N1CCNC(=O)[C@@H]1Cc1ccccc1-c1ccc(F)cc1 257325978 WVGMHVKCDSUWAS-NRFANRHFSA-N 448.494 3.693 0 40 IHAB O=C1N(Cc2ccncc2)CCO[C@@]12CN(Cc1cccc(Cl)c1)C[C@@H]2c1cccnc1 306144106 YWGVFYYMHKYUED-ILBGXUMGSA-N 448.954 3.527 0 40 IHAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccncc3)cc2)cc1Cl 408612923 ZPJSJMKAHMPKNQ-UHFFFAOYSA-N 445.928 3.539 0 40 IHAB COCCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)ccc1C 408619737 ITKVBOLGTGVFDI-UHFFFAOYSA-N 440.521 3.964 0 40 IHAB Cc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)[C@H]5CCCC[C@H]5C4=O)cc3)CC2=O)cc1 408638639 CVLAHZYLUAOREN-YHYVQYDKSA-N 446.503 3.633 0 40 IHAB CCc1cccc(CC)c1NC(=O)COC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 408654168 JYQYLWUIPKBBOD-KRWDZBQOSA-N 428.916 4.000 0 40 IHAB Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4C3=O)cc2)cc1C 408659022 LRSMFKDJLPAVOO-PTRHGPIFSA-N 446.503 3.634 0 40 IHAB Cc1cccc(C)c1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(Br)cc2)CC1=O 408673164 ZDIMKFRAJBFZDB-HNNXBMFYSA-N 445.313 3.601 0 40 IHAB Cc1noc(C)c1C(=O)N1CCC2(CCCCCOc3ccccc3C(=O)NC2)CC1 643558083 IIAWZOZIHGTZIL-UHFFFAOYSA-N 425.529 3.897 0 40 IHAB CC(C)C(=O)N1CCCCCCCNCc2cc(C(=O)N3CCC[C@@H](CO)C3)ccc21 643584298 ZCQFAMNXAXDWSZ-HXUWFJFHSA-N 429.605 3.574 0 40 IHAB C[C@]1(c2cccc(CNC(=O)N[C@@H]3CC[C@H](c4cccc(Cl)c4)C3)c2)NC(=O)NC1=O 1683703662 GMCICBCQNIPMSK-XKDCRVNJSA-N 440.931 3.530 0 40 IHAB COc1ccccc1S(=O)(=O)N1CCC[C@@H](COc2ncccc2C(F)(F)F)C1 1775969707 HGLXDAXHWZACQV-CQSZACIVSA-N 430.448 3.589 0 40 IHAB CC(=O)N1CCCC[C@@]2(CCCN2Cc2ccc(C)o2)C(=O)Nc2ccccc2OCC1 2037981002 QDPPYYBLYVTEGJ-RUZDIDTESA-N 439.556 3.973 0 40 IHAB CCC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2C)cc1 906582 HJGSHBPQLGGFIX-UHFFFAOYSA-N 425.514 3.570 0 40 IHAB O=S(=O)(NC1CCCC1)c1ccc(S(=O)(=O)N2CCCC3(CCCCC3)C2)cc1 1325835 CATPBXKENSHHOX-UHFFFAOYSA-N 440.631 3.643 0 40 IHAB COc1ccc(CCN(C(=O)c2cccc(F)c2)[C@@H]2CC(=O)N(c3ccccc3)C2=O)cc1 2328884 NSDKZJIDRCJDJY-HSZRJFAPSA-N 446.478 3.851 0 40 IHAB COc1cccc(C(=O)COC(=O)c2cc3cc(Br)cc(OC)c3oc2=O)c1 2707920 PLZNDQVUKFQDLS-UHFFFAOYSA-N 447.237 3.612 0 40 IHAB COCCNc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(Br)cc1 2710489 GWQYBVZWCYVOQU-UHFFFAOYSA-N 427.276 3.588 0 40 IHAB CCOC(=O)c1sc2ncn3nc(-c4ccc(Cn5cc(Cl)cn5)o4)nc3c2c1C 2791301 OKFXHBSBXLWLIC-UHFFFAOYSA-N 442.888 3.982 0 40 IHAB Cc1c(Cl)cccc1NC(=O)CSc1nc(=O)n(Cc2ccncc2)c2c1CCC2 8601763 QLNXOWFUYRMNEN-UHFFFAOYSA-N 440.956 3.868 0 40 IHAB Cc1cccc(C)c1NC(=O)CNC(=O)CSc1nnc(Nc2ccc(F)cc2)s1 8753059 FWKXVOLZDPNKHZ-UHFFFAOYSA-N 445.545 3.885 0 40 IHAB CCOc1ccccc1-n1c(SCC(=O)NCc2ccco2)nnc1-c1cccnc1 8809052 XEVYAJICXLBIKW-UHFFFAOYSA-N 435.509 3.730 0 40 IHAB O=S(=O)(NC[C@H](c1ccccc1)S(=O)(=O)c1cccs1)c1ccc(Cl)cc1 9106815 VIGXOXYZVMLMBC-QGZVFWFLSA-N 441.983 3.895 0 40 IHAB Cc1noc(C)c1COc1ccc(CC(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)cc1 9216893 HIAYQSKLCDOACS-INIZCTEOSA-N 431.496 3.871 0 40 IHAB N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(N2CCC(Cc3ccccc3)CC2)cc1 9236393 GUNDCJVNWMXBOG-VXKWHMMOSA-N 441.622 3.799 0 40 IHAB CCn1c(CC(=O)Nc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1nc(C)c(C)s1 9303413 UBETXHQNPQAHJM-AWEZNQCLSA-N 444.586 3.672 0 40 IHAB COc1ccc2[nH]cc(CCNC(=O)CN3C(=O)S/C(=C\c4cccs4)C3=O)c2c1 9429810 NPUWVLXHMLRJNO-ZDLGFXPLSA-N 441.534 3.633 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)c2cc(Cl)ccn2)c1 9469918 DSRIDOJNFUSKFT-UHFFFAOYSA-N 436.965 3.618 0 40 IHAB COc1ccc(CNC(=O)CSc2nnc3c(Cl)cc(C(F)(F)F)cn23)cc1 9584295 RQMCFFLWNNBSLP-UHFFFAOYSA-N 430.839 3.819 0 40 IHAB Cn1ccnc1[C@@H](NC(=O)COc1ccc(C(=O)c2ccccc2)cc1)c1ccccc1 9637881 RJQKJWGYAAWRHL-DEOSSOPVSA-N 425.488 3.936 0 40 IHAB O=C(NCc1ccco1)c1cn(Cc2ccc(F)cc2)cc2c(=O)n(-c3ccccc3)nc1-2 9663761 GASORTPXGDEGKK-UHFFFAOYSA-N 442.450 3.849 0 40 IHAB CC[C@@H](Sc1ncc(-c2ccccc2)nn1)C(=O)Nc1nnc(C(F)(F)F)s1 9667834 VLPVHGWNBMWQGU-LLVKDONJSA-N 426.449 3.918 0 40 IHAB O=C(CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)N1CC[C@@H]2CCCC[C@H]2C1 9764402 WGIFTAYATGWLIM-STQMWFEESA-N 438.899 3.676 0 40 IHAB C[C@H](NC(=O)CCc1ncc(-c2c(F)cccc2F)o1)c1ccc(S(C)(=O)=O)cc1 10309976 ALTRABVNGMLOPI-ZDUSSCGKSA-N 434.464 3.833 0 40 IHAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)COc1ccc(Br)cc1F 11082736 NAUKZQKWMRAYDR-UHFFFAOYSA-N 432.293 3.870 0 40 IHAB Cc1nc2cc([C@H]3CCCN(C(=O)c4nsc(Cl)c4Cl)C3)nn2c(O)c1C 12134271 CXEGVZRYNNXKFL-JTQLQIEISA-N 426.329 3.835 0 40 IHAB COc1ccccc1CC(=O)N1CCC[C@H]([C@@H]2C[C@H](C(F)(F)F)n3nc(C)cc3N2)C1 12181617 RIUYZAUZDYEZGH-JENIJYKNSA-N 436.478 3.969 0 40 IHAB Cc1cc2oc(=O)cc(CSc3ccc(S(=O)(=O)N4CCCC4)cn3)c2cc1C 12554197 HWWOYOZQFWFDEW-UHFFFAOYSA-N 430.551 3.882 0 40 IHAB NC(=O)c1ccccc1NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 12742149 CVQBMMMCQWGCJV-UHFFFAOYSA-N 432.509 3.591 0 40 IHAB COc1ccc([C@@H](CNC(=O)CCc2c(C)nc3c(c(C)nn3C)c2C)N2CCCC2)cc1 12820116 SYALNVZTWHTDFU-HSZRJFAPSA-N 449.599 3.788 0 40 IHAB CCCCn1c(N)c(N(CCC)C(=O)CCc2ccc(Cl)cc2Cl)c(=O)[nH]c1=O 12882838 OHLVAKBKRRTCNY-UHFFFAOYSA-N 441.359 3.602 0 40 IHAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1csc(-c2ccc(C)cc2)n1 12883834 ZIDWJLSEUPFFAP-UHFFFAOYSA-N 448.548 3.573 0 40 IHAB C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C1=O 12886541 SZWUNMMTVDOSIP-XMMPIXPASA-N 449.507 3.610 0 40 IHAB COc1cccc(CNC(=O)COCC(=O)Nc2ccc(OCc3ccccc3)cc2)c1 14011030 JBVMZZGLWDNFCD-UHFFFAOYSA-N 434.492 3.546 0 40 IHAB O=C(CSc1nnnn1-c1ccc(OC(F)(F)F)cc1)Nc1cccc2ncccc12 14070229 SWOUSLRBLPAIOF-UHFFFAOYSA-N 446.414 3.840 0 40 IHAB CCc1ccc(NC(=O)Cc2nc(-c3ccc(N(C)S(C)(=O)=O)cc3)cs2)cc1 14226501 NVBORCKQABUVBK-UHFFFAOYSA-N 429.567 3.950 0 40 IHAB C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)N3c4ccccc4C[C@H]3C)ccc2Cl)C[C@@H](C)O1 15584356 JTAKMCCVLUGHHX-BZUAXINKSA-N 448.972 3.729 0 40 IHAB COc1ccc(OC)c(NC(=O)c2cc3cccnc3n(Cc3ccc(F)cc3)c2=O)c1 15883361 IIYBZZWDAHJRMR-UHFFFAOYSA-N 433.439 3.853 0 40 IHAB Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)Nc2ccc(Br)cc2)c(C)c1 16267501 ZYFUDZYMMWUZGO-UHFFFAOYSA-N 425.348 3.634 0 40 IHAB COc1ccc([C@@H](C(=O)Nc2ccc(C(C)C)cc2)N(C)C(=O)c2ccc(=O)[nH]c2)cc1 18254294 MNUQIVBNPSXMPK-QHCPKHFHSA-N 433.508 3.959 0 40 IHAB CCNC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)Cc2c(C)n[nH]c2C)C1 19528893 NLIBHNCJAUZEIQ-MHZLTWQESA-N 444.579 3.834 0 40 IHAB COc1cc2cc(N)c([C@@H]3CCCN(C(=O)[C@@H]4CCC[C@H](OC)C4)C3)nc2cc1OC 19550962 AESDUXIGKNVNSE-NUJGCVRESA-N 427.545 3.745 0 40 IHAB CN(C)c1ncc(-c2ccccc2F)c([C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)n1 19694504 HWFKQWAMERDZDV-KRWDZBQOSA-N 440.544 3.917 0 40 IHAB Cc1cnc(C(=O)N2CC[C@@H]3[C@H]2CCCC(=O)N3Cc2ccccc2C(F)(F)F)cn1 19713278 DFNZVWTWPAOEKA-RTBURBONSA-N 432.446 3.600 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1 20013930 CABFUGNRUVFXMK-UHFFFAOYSA-N 448.438 3.893 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccc(SC)cc2)cc1 20021220 YDGSDELTNQURLI-INIZCTEOSA-N 436.599 3.695 0 40 IHAB Cc1ccc(N(CC(=O)NCc2cccnc2)S(=O)(=O)c2ccccc2)cc1Cl 20234723 ASUSNASBLVRHOQ-UHFFFAOYSA-N 429.929 3.555 0 40 IHAB O=C(NCCOc1ccc(Cl)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 20530120 MVRSIVVLGHBCBH-UHFFFAOYSA-N 430.913 3.950 0 40 IHAB CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)N1CCN(Cc2ccccc2)CC1 21329461 VAFLSOUPYREWKE-FQEVSTJZSA-N 449.624 3.714 0 40 IHAB CC(=O)Nc1ccc(C)cc1-c1nnc(S[C@@H](C)C(=O)Nc2ccccc2C)nc1O 21882661 LIWYLEIPZLLROY-AWEZNQCLSA-N 437.525 3.939 0 40 IHAB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1)NCCCc1ccccc1 22394337 OGAQEMAIHOAAKQ-UHFFFAOYSA-N 444.503 3.909 0 40 IHAB O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)N(Cc1ccccc1F)C1CC1 23955387 IAYKSQCYGBJDRJ-UHFFFAOYSA-N 430.545 3.734 0 40 IHAB O=C(OCc1nc2ccccc2s1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 24362599 VSGWTQVXAUFLLT-LBPRGKRZSA-N 442.971 3.908 0 40 IHAB Cc1ccc(C(=O)[C@@H](OC(=O)Cn2nc3n(c2=O)CCCCC3)c2ccc(C)cc2)cc1 25054312 GLFKUYANOZCWQC-DEOSSOPVSA-N 433.508 3.555 0 40 IHAB Cc1cc(=O)n2nc(CSc3nc4ccc(Cl)cc4c(=O)n3CC(C)C)sc2n1 25726235 ZDTTVWYSAQILFL-UHFFFAOYSA-N 447.973 3.771 0 40 IHAB CCCn1c(CSc2ncnc3ccsc23)nc2cc(S(=O)(=O)N(C)C)ccc21 26960618 NWILWARMDFEDIR-UHFFFAOYSA-N 447.611 3.994 0 40 IHAB COc1ccccc1NC(=O)Cn1c(C)nc2ccc(NC(=O)c3ccccc3)cc2c1=O 35288567 AAEMSPSHCTXNLO-UHFFFAOYSA-N 442.475 3.605 0 40 IHAB O=C(C1=C(c2ccccc2)S(=O)(=O)CCO1)N(Cc1ccccc1F)c1ccccn1 35673185 QVIYMQRZZRPWHR-UHFFFAOYSA-N 438.480 3.568 0 40 IHAB CS(=O)(=O)Nc1cccc(CNC(=O)c2nc(-c3ccccc3)n3c2CCCCC3)c1 36762560 JPIUAGHLOIWSOG-UHFFFAOYSA-N 438.553 3.578 0 40 IHAB O=C(N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)[C@@H]1COc2ccccc2C1 40107842 GBNHMKCFOIQMPK-PKOBYXMFSA-N 432.442 3.736 0 40 IHAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CSCc1cccc(Cl)c1 44900149 GIPXTCJZUYEWEG-UHFFFAOYSA-N 442.990 3.907 0 40 IHAB CC[C@H](NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1)c1ccc(C)cc1 44935992 CPDODKYCBWKWJJ-PXNSSMCTSA-N 436.961 3.833 0 40 IHAB CCN1CCN(C(=O)N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)CC1 56964071 LYEVAMCUULCOPU-UHFFFAOYSA-N 435.977 3.597 0 40 IHAB Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc(F)cc3C)c2=O)c(C)c1 57493160 FFYZSKVBKUPLRM-UHFFFAOYSA-N 437.496 3.917 0 40 IHAB Cc1cc(C)cc(N2C[C@@H](C(=O)Nc3ccc(I)cc3)CC2=O)c1 59227329 UXGPPXZFMGYBPN-AWEZNQCLSA-N 434.277 3.900 0 40 IHAB COC(=O)CC1=CC(SCC(=O)Nc2cc(OC)cc(OC)c2)=Nc2ccccc2N1 64869479 SYBYHDKWJYLOHW-UHFFFAOYSA-N 441.509 3.978 0 40 IHAB O=C(CCn1ccn2nc(-c3ccc(F)cc3)cc2c1=O)NCCc1ccc(Cl)cc1 67261135 YNNPLVVQFONVBP-UHFFFAOYSA-N 438.890 3.705 0 40 IHAB O=C(Nc1ccc(C(=O)N2CCN(C(=O)NC3CCCCC3)CC2)cc1)c1ccccc1 69946675 NIAIHANEVZRFMN-UHFFFAOYSA-N 434.540 3.739 0 40 IHAB CCOC(=O)C[C@@H](OC(=O)c1ccc(NC(N)=O)cc1)c1cccc(Br)c1 72289695 YMGOWFVOAGEOTC-MRXNPFEDSA-N 435.274 3.791 0 40 IHAB Cn1cnc(S(=O)(=O)N2CCC[C@H](c3cccc(Cc4ccc(Cl)cc4)n3)C2)c1 72350356 LAAFCUBFAQTVQR-KRWDZBQOSA-N 430.961 3.628 0 40 IHAB CCOC(=O)[C@@]1(Cc2cc(-c3ccccc3F)no2)CCCN(C(=O)c2ccccn2)C1 72394099 GFBOQHPQKPOXEO-XMMPIXPASA-N 437.471 3.904 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N[C@H]1CCC[C@H](OC(=O)Nc2ccc(F)cc2)C1 77200408 UONXDFATPMSJPD-ROUUACIJSA-N 436.505 3.981 0 40 IHAB CCN1CCN(C(=O)Cc2ccc(NC(=O)Cc3cccc(C(F)(F)F)c3)cc2)CC1 79025415 UQSNHKRIRJKIPQ-UHFFFAOYSA-N 433.474 3.593 0 40 IHAB CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H](C)c1nc(C)cs1 96013914 JCNOYVJNLKTYQD-MLGOLLRUSA-N 426.007 3.876 0 40 IHAB O=S(=O)(c1ccccc1)C1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)Cc1ccccc1Cl 96376045 YYINOTNPSVWKDX-JJTKIYQPSA-N 439.986 3.639 0 40 IHAB CCCN(Cc1ccc(OCC)c(OCC)c1)C(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O 96437976 YQBUSTJGURRCHS-BGYRXZFFSA-N 444.572 3.788 0 40 IHAB COc1ccc([C@@H]2Cn3cnc(-c4nc(-c5ccc(OC)c(OC)c5)no4)c3CO2)cc1 97077620 PPTLFXCXCWSUQU-FQEVSTJZSA-N 434.452 3.897 0 40 IHAB CCOc1ccccc1N(CC(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2)S(=O)(=O)c1ccccc1 100219354 LACZLXZXBOIKAD-GGPKGHCWSA-N 428.554 3.585 0 40 IHAB Cc1ccc(Cn2ccs/c2=N/C(=O)/C=C/c2cc3cnn(C(C)C)c3[nH]c2=O)cc1 102841398 ZWWDHZBBSAHPGE-DMOCWITKSA-N 433.537 3.666 0 40 IHAB CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@]5(CC[C@]4(C)[C@H]3C(=O)C[C@]12C)N[C@H](C(=O)O)CS5 118936371 PCUNKKKWXLSSHX-OFDFYJNSSA-N 433.614 3.899 0 40 IHAB CCOc1ccc([C@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)cc1 216331410 HRHVIJMDYRHPCF-KRWDZBQOSA-N 448.560 3.644 0 40 IHAB CC(C)(C)OC(=O)N[C@@]1(CN)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 218634008 OFWVXHUKENCCBU-BBTUJRGHSA-N 436.961 3.502 0 40 IHAB CC[C@@H](C(=O)Nc1cc(C)ccc1OC)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 220757373 PTKFZRPSNHFJRO-INIZCTEOSA-N 440.949 3.849 0 40 IHAB CCC(=O)N1CCc2cc(S(=O)(=O)Nc3nnc(-c4ccc(C)cc4)s3)ccc21 222904528 WLLPDXIBBZIDKD-UHFFFAOYSA-N 428.539 3.613 0 40 IHAB CCOCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CC 223265223 LHFSRSCXZUWCNU-QHCPKHFHSA-N 426.557 3.588 0 40 IHAB C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 224972277 DCTDIDQQKYFTCN-HNNXBMFYSA-N 437.512 3.748 0 40 IHAB CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1cc(OC)cc(OC)c1 225185625 PJUUADQWBGRGGZ-QHCPKHFHSA-N 442.556 3.725 0 40 IHAB CC[C@@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C(C)C 225707605 YLGXGWKBKKFZIG-CQSZACIVSA-N 447.582 3.973 0 40 IHAB CCOCCCNC(=O)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(Cl)cc1 225865229 AHOQFPBRZWBBHE-UHFFFAOYSA-N 436.961 3.638 0 40 IHAB COc1cccc2c(O)c(C(=O)N3CCCC4=C[C@H]5C[C@H](CN6CCCC[C@H]56)[C@H]43)cnc12 257198871 KLBWCGJSKVOXMZ-WQNDALKBSA-N 433.552 3.984 0 40 IHAB Cc1cc(Nc2cccc([C@@H]3CN(C(=O)CCCc4ccc(F)cc4)CCO3)n2)nn1C 257299457 RQDBZROGJUUYNN-NRFANRHFSA-N 437.519 3.929 0 40 IHAB Cc1ccc(C)c(N([C@H](C)C(=O)NCCOc2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c1 260853112 VDTFDOHTPSBOPI-LJQANCHMSA-N 446.613 3.951 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1C(=O)NCC(C)C 408584926 WQPSPMIDCDKNBK-UHFFFAOYSA-N 425.348 3.944 0 40 IHAB CCN(CC)C(=O)c1ccccc1NC(=O)[C@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 408607515 MRHZTUZYZDWLMT-SFHVURJKSA-N 445.585 3.579 0 40 IHAB CCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(Cl)cc2)cc1 408666498 ZYGMVFDVDLNILK-UHFFFAOYSA-N 446.887 3.807 0 40 IHAB CCOc1ccc(C(=O)Nc2ccc(Br)cc2)cc1S(=O)(=O)NC(C)C 408700725 KXEGCKHKHQMWLS-UHFFFAOYSA-N 441.347 3.787 0 40 IHAB COC(=O)c1ccc(C)c(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)c1 409344804 HHFICOJCHCSQFZ-UHFFFAOYSA-N 438.505 3.859 0 40 IHAB CC(=O)O[C@H]1C[C@@]2(C)[C@@H](CC[C@H]2C(C)=O)[C@@H]2CC[C@H]3CC4(CC(=O)[C@]3(C)[C@@H]12)OCCO4 1857622319 RUQBPCMPFRJFIH-GNBONBISSA-N 432.557 3.698 0 40 IHAB CCCOC(=O)c1ccc(N2C[C@H](C(=O)O[C@@H](CC)C(=O)c3ccccc3)CC2=O)cc1 8383860 BKQMFWSCFAJACA-CTNGQTDRSA-N 437.492 3.811 0 40 IHAB O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)NC2CCCCC2)C1)c1ccccc1 4236327 ASTHXYYAGSNBHD-PKOBYXMFSA-N 434.540 3.562 0 40 IHAB biogenic,in-vitro Cc1ccc([C@@H](c2nnnn2CS(=O)(=O)c2ccc(C)cc2)N2CCC(C)CC2)cc1 6197555 YVMDRENMXBNNGB-QFIPXVFZSA-N 439.585 3.543 0 40 IHAB O=C(CN1CCc2ccccc21)N(Cc1cccnc1)S(=O)(=O)c1ccc(Cl)cc1 32642698 OTPUKEYTRYVJDQ-UHFFFAOYSA-N 441.940 3.515 0 40 IHAB COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)ccc1OC(=O)c1ccccc1 105793591 AHTWAAWXFRYMHI-STZFKDTASA-N 428.469 3.685 0 40 IHAB Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1NS(C)(=O)=O 10112899 VALUZHMGURGYRC-UHFFFAOYSA-N 429.542 3.635 0 40 IHAB COc1ccc(NC(=O)CCCN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)cc1 10331150 YKJHPKIDHQAJOO-UHFFFAOYSA-N 426.922 3.542 0 40 IHAB Cc1ccc(C)c(N([C@@H](C)C(=O)Nc2ccccc2Br)S(C)(=O)=O)c1 10333447 CSZBRFKWNJVTOQ-AWEZNQCLSA-N 425.348 3.859 0 40 IHAB CCN(CC)S(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)c2c(C)[nH]c3ccccc23)c1 10928751 QHDYZQGMRCNQPM-MRXNPFEDSA-N 442.537 3.935 0 40 IHAB CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)N(Cc2ccco2)c2ccccc2)c1 32915904 SQFLBOMZHPMQBK-UHFFFAOYSA-N 425.915 3.732 0 40 IHAB O=C(Cn1c(COc2ccccc2)nc2ccccc21)NC[C@H]1COc2ccccc2O1 29900418 UBJQQCOXLZRTHA-IBGZPJMESA-N 429.476 3.572 0 40 IHAB CCc1nnc2sc(-c3cccc(NC(=S)NC(=O)/C=C/c4ccccc4)c3)nn12 57316471 ILIGMBDTSCOTKB-VAWYXSNFSA-N 434.550 3.942 0 40 IHAB CC(=O)O[C@H]1C[C@]2(C)[C@@H](C(C)=O)CC[C@H]2[C@@H]2CC[C@H]3CC4(CC(=O)[C@]3(C)[C@@H]12)OCCO4 118917247 RUQBPCMPFRJFIH-MTMPWEDDSA-N 432.557 3.698 0 40 IHAB COc1ccc(N(CC(=O)Nc2cccc(C(C)=O)c2)S(=O)(=O)c2ccccc2)cc1 3071481 PGGNUSUMPKMIKP-UHFFFAOYSA-N 438.505 3.732 0 40 IHAB CCOC(=O)c1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)cc1 12552434 NYVNOTQWEYRPDG-UHFFFAOYSA-N 439.415 3.869 0 40 IHAB CCOC(=O)c1sc(NC(=O)N2CCN(c3ccccc3)CC2)c(C(=O)OCC)c1C 24562474 AZTQIWPGHXRYFN-UHFFFAOYSA-N 445.541 3.764 0 40 IHAB C[C@@H](NC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1)c1ccc(C(C)(C)C)cc1 30750882 PFCFPPVRYXNZAU-GOSISDBHSA-N 444.597 3.637 0 40 IHAB Cc1cccc(C(N)=O)c1NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 26539211 XELRAPWZMMATOH-UHFFFAOYSA-N 426.338 3.932 0 40 IHAB COc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(Cc3ccco3)CC(=O)N21 2116805 WWFBZEVRTRVXLX-SQJMNOBHSA-N 441.487 3.655 0 40 IHAB biogenic COc1ccccc1C(=O)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCS(=O)(=O)C1 27745685 DXINLJMUFNLEBV-HNNXBMFYSA-N 428.337 3.832 0 40 IHAB COc1cc(-c2nnc(S[C@@H]3CCOC3=O)n2C2CCCCC2)cc(OC)c1OC 8645566 MKPNODKNZUPOFQ-QGZVFWFLSA-N 433.530 3.884 0 40 IHAB O=C(CCS(=O)(=O)c1ccc(Cl)cc1)NCC(=O)Nc1cc(Cl)ccc1Cl 12770348 RDKBWDLKJXWKRC-UHFFFAOYSA-N 449.743 3.566 0 40 IHAB CCCn1nc(C(=O)N(c2cnn(C)c2)[C@H](C)c2cccc(OC)c2)c2ccccc2c1=O 48309226 NXGGSGSXIZYGHZ-QGZVFWFLSA-N 445.523 3.957 0 40 IHAB Cc1ccc(C)c(NC(=O)[C@@H]2[C@@H]3C(=O)N(CCc4c[nH]c5ccccc45)C[C@]34C=C[C@H]2O4)c1 12896345 SAAFBYYGEPQXBF-JPYYHWIRSA-N 441.531 3.748 0 40 IHAB biogenic O=C(Nc1ccc(OC(F)F)cc1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 12803002 LXGBRHSSYYVUJJ-MRXNPFEDSA-N 430.860 3.733 0 40 IHAB CCN1C(=O)S/C(=C\c2cc(Br)c(I)o2)C1=O 408956030 ZPFBMJIUJAMHGL-DAXSKMNVSA-N 428.045 3.703 0 40 IHAB O=C(COC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)Nc1ccc(Cl)cc1 8668523 MKZULKMUQAIKTO-UHFFFAOYSA-N 433.851 3.835 0 40 IHAB CCOC(=O)c1ccc(S(=O)(=O)Oc2cccc(C(C)=O)c2)c(Br)c1 13009437 SQLQRICTDSPSQW-UHFFFAOYSA-N 427.272 3.596 0 40 IHAB COc1ccc(OCCN2CCN(C(=O)c3ccc(C(=O)c4ccccc4)cc3)CC2)cc1 13164587 CAYVFAVLKBLWNG-UHFFFAOYSA-N 444.531 3.763 0 40 IHAB COc1cccc(-c2csc(N3C[C@@H](C(=O)OCC(=O)c4ccccc4)CC3=O)n2)c1 8715726 VJPBGAZNGNXEGL-KRWDZBQOSA-N 436.489 3.598 0 40 IHAB COC(=O)c1ccc(OCC(=O)Nc2ccc(N3CCCC3)cc2)c(Br)c1 23200079 HJACBEKIDOIVSD-UHFFFAOYSA-N 433.302 3.853 0 40 IHAB COc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)c1 14249845 NKVZMUQJAZGDLR-UHFFFAOYSA-N 442.459 3.753 0 40 IHAB Cc1nc2cc(C(=O)N(C)Cc3nc4ccsc4c(=O)[nH]3)ccc2n1-c1ccccc1 14370894 QSFGMVHOQQALQK-UHFFFAOYSA-N 429.505 3.904 0 40 IHAB O=C1N(Cc2ccsc2)CCO[C@@]12CN(Cc1cccc(F)c1)C[C@H]2c1cccnc1 306128352 GYLONOFBTDSHJC-LADGPHEKSA-N 437.540 3.679 0 40 IHAB CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@@H](C)N1CCN(C2CCCCC2)CC1 19371815 PUEALRCJWWDPME-MRXNPFEDSA-N 444.551 3.761 0 40 IHAB CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@H](C)N1CCN(C2CCCCC2)CC1 19371817 PUEALRCJWWDPME-INIZCTEOSA-N 444.551 3.761 0 40 IHAB CCCCCCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccc(OCC)cc2)n(C)c1=O 9015144 DSJHQBHYKPYCGN-QGZVFWFLSA-N 439.560 3.664 0 40 IHAB Cc1cccc(C)c1NC(=O)COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 9055693 DTESJRFKWTVYEF-UHFFFAOYSA-N 428.444 3.900 0 40 IHAB COc1ccc(-c2cc(C(=O)Nc3ccccc3)n[nH]2)cc1S(=O)(=O)N1CCCCC1 15860839 SFXYZAJZGXLCKO-UHFFFAOYSA-N 440.525 3.512 0 40 IHAB CC(C)OC(=O)c1ccc(NC(=O)Cn2nc(-c3ccccc3Cl)ccc2=O)cc1 71279146 DHRFHAHKKGAIGM-UHFFFAOYSA-N 425.872 3.768 0 40 IHAB O=C(CCc1nc2cc(Cl)ccc2n(Cc2ccccc2)c1=O)NCCc1ccccn1 9128044 LFTLKIKSFPYFNY-UHFFFAOYSA-N 446.938 3.785 0 40 IHAB CCOc1cc(/C=C2\SC(=O)N(CC)C2=O)cc(I)c1OC 9295856 UGSPBDRIUJJJLN-WQLSENKSSA-N 433.267 3.755 0 40 IHAB COc1ccc(CNc2nc(-c3cccnc3)nn2C(=O)c2ccc(F)cc2)cc1OC 9288879 BCGWOSLQAWUKOD-UHFFFAOYSA-N 433.443 3.797 0 40 IHAB CCN(CC)c1ccc(-n2cc3c(c2-c2ccc(OC)cc2)c(=O)n(C)c(=O)n3C)cc1 9282595 FOJSYHRCLCQEGN-UHFFFAOYSA-N 432.524 3.550 0 40 IHAB Cc1ccc(Cn2nc(C)c(/C=C/C(=O)N3CCN(C[C@@H]4CCCO4)CC3)c2Cl)cc1 69291912 FOOKOKOSCFVGFU-GLCJEOIMSA-N 442.991 3.538 0 40 IHAB C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NCCCSc2ccccc2)C1=O 9593724 DNLAVHGLLDIRQN-RUZDIDTESA-N 447.560 3.905 0 40 IHAB COc1ccc2cc([C@@]3(C)NC(=O)N(Cc4nc(-c5ccsc5)no4)C3=O)ccc2c1 9516376 AOJBMZOCNYOZGJ-JOCHJYFZSA-N 434.477 3.927 0 40 IHAB O=C(Nc1ccccc1N1CCCC1=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 9846719 HGPJOHWFHPPULV-QGZVFWFLSA-N 425.916 3.958 0 40 IHAB O=c1c(Cl)c(NC[C@@H](c2ccco2)N2CCCCC2)cnn1-c1nc2ccccc2[nH]1 9884181 CZDSOLWWTXWHIA-SFHVURJKSA-N 438.919 3.994 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1C(=O)N1CCCCC1 408693255 LNRJYPZQFUJGBF-UHFFFAOYSA-N 426.897 3.915 0 40 IHAB O=C(CN1CC[C@](O)(C(F)(F)F)C1)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 72308484 IMMFLRXSCZYAOX-QGZVFWFLSA-N 439.400 3.633 0 40 IHAB Cc1nn(C(F)F)c(C)c1CC(=O)N[C@@H](CC(=O)O)c1ccc(Br)cc1 95424434 OBWSIXCTWRJDRU-AWEZNQCLSA-N 430.249 3.532 0 40 IHAB O=C(CSc1nnnn1Cc1cccs1)Nc1nc(-c2ccc(F)cc2)cs1 29744037 ILSHESOGVCYWSL-UHFFFAOYSA-N 432.531 3.776 0 40 IHAB O=C(Nc1ccccc1)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 20486536 QQCZRHLTOHXSJO-UHFFFAOYSA-N 437.359 3.630 0 40 IHAB COc1ccc(OCC(=O)Nc2cccc(OCc3cc(=O)n4ccc(C)cc4n3)c2)cc1 33268620 NMPFLPILWXZSQV-UHFFFAOYSA-N 445.475 3.608 0 40 IHAB Cc1nc([C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)nc2c1CCC(=O)N2CC1CC1 72371128 WYCXTQAYIZYFAV-IBGZPJMESA-N 436.531 3.562 0 40 IHAB COc1cc(C(=O)NCc2ccccc2CN2CCCC2)cc(OC)c1Br 21639870 SJKUHIHRRNHXLQ-UHFFFAOYSA-N 433.346 3.992 0 40 IHAB C[C@@H](NC(=O)Cn1c(S(C)(=O)=O)nc2ccccc21)c1ccc(Cl)cc1Cl 29591803 NHDPADXWYMXWPZ-LLVKDONJSA-N 426.325 3.624 0 40 IHAB CC(=O)O[C@H]1C[C@H]2[C@@H]3C[C@H](OC(C)=O)[C@H]4CC(=O)CC[C@]4(C)[C@H]3[C@H](OC(C)=O)C[C@]2(C)C1 123379537 QWVDWZWSHZMUAY-ZLDJZLCZSA-N 448.556 3.613 0 40 IHAB COC[C@H](C)NS(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1 408636280 NIZGICGESWRUBB-ZDUSSCGKSA-N 430.448 3.579 0 40 IHAB O=C(O[C@@H]1C(=O)N(c2ccccc2Cl)C(=O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 409277659 BNSJBFOILIRLPK-BGYRXZFFSA-N 449.846 3.664 0 40 IHAB CC(C)Oc1cccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)c1 30940451 KYEMQDTVHPEWSI-NRFANRHFSA-N 446.569 3.937 0 40 IHAB CSCC[C@H](NC(=O)CC1(n2cccc2)CCOCC1)c1nc2ccccc2n1C 524732541 OMZFFSMGPGPPEQ-IBGZPJMESA-N 426.586 3.881 0 40 IHAB CCOCc1ccc(C(=O)N2CCC([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)CC2)cc1 72395619 YXEKDHMYLAIIMO-ZWKOTPCHSA-N 437.466 3.655 0 40 IHAB CC[C@@H](C(=O)N[C@H](C)COc1ccccc1C)N(c1cccc(Cl)c1)S(C)(=O)=O 219094048 QSAQJVOVDAXIBH-APWZRJJASA-N 438.977 3.777 0 40 IHAB O=C(Cc1c[nH]c2ccccc12)N1CCN(c2ccccc2)C[C@H](Cc2cnccn2)C1 72353564 SZFSHBDFVWVLPI-FQEVSTJZSA-N 425.536 3.708 0 40 IHAB C[C@H](Oc1ccccc1)c1nnc(SCC(=O)Nc2ccc3c(c2)OCCCO3)n1C 32610692 WWGRWRLJVSSDBI-HNNXBMFYSA-N 440.525 3.847 0 40 IHAB Clc1ccc(CN2CCC[C@H]2c2nc(-c3ccc(N4CCOCC4)nc3)no2)cc1 35425270 VFBFKDZAUFXVHS-IBGZPJMESA-N 425.920 3.959 0 40 IHAB biogenic,in-vitro O=C(NCCCOC1CCCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 32895957 NGRUIEYCOUDHKN-QGZVFWFLSA-N 443.009 3.596 0 40 IHAB O=C(c1ccccc1I)N1CCN(c2ccc(Cl)cc2)CC1 72257887 NUTAXJNFLMAFMJ-UHFFFAOYSA-N 426.685 3.907 0 40 IHAB C[C@H](C(=O)NCc1ccc(Cl)cc1Cl)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220446601 NKWZSDJEOLHIRL-SNVBAGLBSA-N 437.295 3.743 0 40 IHAB COC(=O)c1cccc(NC(=S)NCc2ccc(OC3CCN(C)CC3)cc2)c1C 225772838 QJTQFFLJSNGFIF-UHFFFAOYSA-N 427.570 3.741 0 40 IHAB CCOc1ccccc1N(CCCC(=O)N[C@@H](C)COc1ccc(C)cc1)S(C)(=O)=O 222615530 VVDXWJAKEFTXTF-IBGZPJMESA-N 448.585 3.524 0 40 IHAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCc1nc(-c2ccc(OC)cc2OC)no1 223002327 ZZFOLKOMDFLAHN-LJQANCHMSA-N 425.485 3.844 0 40 IHAB CC[C@H](C(=O)NCc1ccc(F)cc1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 220697472 DMJFVBRZXDKSKC-QGZVFWFLSA-N 433.332 3.994 0 40 IHAB CS(=O)(=O)N(CCCC(=O)Nc1ccc2ccccc2c1)c1ccc2c(c1)OCCO2 223186366 BPVHGYDPNOEXSR-UHFFFAOYSA-N 440.521 3.796 0 40 IHAB CC[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O 224889526 ANHZVTPCISZFTB-QGZVFWFLSA-N 446.447 3.777 0 40 IHAB CC[C@H](NC(=O)CN(c1c(C)cc(C)cc1C)S(C)(=O)=O)c1ccc(OC)c(C)c1 223727729 AUSQDCKEXGVJGK-FQEVSTJZSA-N 432.586 3.962 0 40 IHAB C[C@@H]1C[C@@H](C)CN(c2cc3c(cc2F)c(=O)c(S(=O)(=O)c2ccccc2)cn3C)C1 49421541 JXJWNUYMBBNJTQ-HZPDHXFCSA-N 428.529 3.993 0 40 IHAB CCN(CCCNC(=O)c1ccc(N2CCCCS2(=O)=O)cc1)c1ccc(C)cc1 224384231 OHUKKCWSKPZZAE-UHFFFAOYSA-N 429.586 3.571 0 40 IHAB CNc1nc(C)c(C(=O)N2CCO[C@@H](c3cc(Nc4nc(C)cs4)cc(C)n3)C2)s1 257242918 IESLRTNHOTZKDJ-MRXNPFEDSA-N 444.586 3.919 0 40 IHAB COCCOc1cccc(CN2CCO[C@@H](c3ccc(Nc4nc(C)cc(C)n4)cn3)C2)c1 257274937 NNGUCSFJIGOMBZ-XMMPIXPASA-N 449.555 3.831 0 40 IHAB O=C1CCCC[C@]2(CN(C(=O)C3(c4ccccc4)CCOCC3)C[C@H]2c2ccccc2)N1 257286276 PKZOQQMDBJGOMQ-WNCULLNHSA-N 432.564 3.790 0 40 IHAB CCCC(=O)N1CCC[C@H](c2nc(C)c(CC(=O)NCc3ccc(F)cc3)c(C)n2)C1 257240158 HSHHUPSJKRLDSE-IBGZPJMESA-N 426.536 3.598 0 40 IHAB CCn1cc(CN2CCO[C@H](c3cc(CCOc4cccc(Cl)c4)[nH]n3)C2)c(C)n1 257321706 WCVNRUSLFSBSLY-QFIPXVFZSA-N 429.952 3.783 0 40 IHAB Cc1nonc1CC(=O)N1CCO[C@@H](c2cccc(Cc3ccccc3C(F)(F)F)n2)C1 257206988 BFSRVIJDILASKX-HXUWFJFHSA-N 446.429 3.525 0 40 IHAB COCc1cc(CN2CCO[C@H](c3cccc(-c4cnc(N)nc4)n3)C2)ccc1OC(C)C 257286521 PLXAPDFGICSFJK-DEOSSOPVSA-N 449.555 3.628 0 40 IHAB Cc1cc(Nc2nc(C)cs2)cc([C@H]2CN(C(=O)CC3(O)CCCCC3)CCO2)n1 257225750 FHOXFIWSWLRXGT-LJQANCHMSA-N 430.574 3.884 0 40 IHAB CCN(CC)C(=O)CN1CCO[C@@H](c2cccc(Cc3ccccc3C(F)(F)F)n2)C1 257225158 FFCNSLXHEQYDBX-OAQYLSRUSA-N 435.490 3.933 0 40 IHAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)N3c4ccccc4C[C@H]3C)C2)c(C)c1 260736978 JNRMHUSGYJCYDF-CTNGQTDRSA-N 426.582 3.990 0 40 IHAB Cc1ccc2occ(CN3CCC[C@H](c4cc(=O)[nH]c(-c5cccnc5)n4)C3)c(=O)c2c1 72393090 OPUVHVYVHONELJ-SFHVURJKSA-N 428.492 3.626 0 40 IHAB COCCOC(=O)c1sc2nc(CN[C@@H](C)c3cccc(Cl)c3)[nH]c(=O)c2c1C 13040171 NRESIBKDHAGTHT-LBPRGKRZSA-N 435.933 3.600 0 40 IHAB CCC(C)(C)n1nnnc1[C@@H](c1ccc(F)cc1)N1CCN(c2cccc(OC)c2)CC1 13504104 JSVCLWXLXKIJCV-JOCHJYFZSA-N 438.551 3.878 0 40 IHAB COc1cccc(C[C@@H](CC(=O)O)C(=O)Nc2ccccc2I)c1 13562785 RGLWXRHYFGHMGY-ZDUSSCGKSA-N 439.249 3.572 0 40 IHAB COc1ccc(OC)c([C@H]2CC(=O)Nc3nc(SCc4ccccc4F)[nH]c(=O)c32)c1 13567404 YMEJGAHBMDMIIO-OAHLLOKOSA-N 441.484 3.693 0 40 IHAB COc1ccc(C)cc1NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCCCC2)c1 13581621 CYRBMXFBIWIBJC-UHFFFAOYSA-N 432.542 3.829 0 40 IHAB COc1ccc(S(=O)(=O)NCCCc2cccc(C)c2)cc1I 13649768 KNVOSNUZMCQFEM-UHFFFAOYSA-N 445.322 3.519 0 40 IHAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N(C)CC(=O)Nc2cccc(F)c2)cc1 14182635 NQNJBVNLFXFWIY-UHFFFAOYSA-N 444.466 3.544 0 40 IHAB COc1ccc(COC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)cc1 14705980 SFXKHGKIOLKMMP-UHFFFAOYSA-N 431.554 3.963 0 40 IHAB COC(=O)[C@@H]1C(=O)[C@@]2(Cc3c(ccc4ccccc34)N(COC(C)C)C2)C(=O)CC1(C)C 14945138 AEABKFZWZJSDJK-BKMJKUGQSA-N 437.536 3.929 0 40 IHAB COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1sc2c(c1C(N)=O)CCC2 16194608 LHXAQYPWYIBJHZ-UHFFFAOYSA-N 444.365 3.778 0 40 IHAB O=C(NC1CCCC1)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCC2 17096062 NREUYICLZRUXEU-QISBLDNZSA-N 428.554 3.761 0 40 IHAB CC(C)c1cc(C(=O)N2CCO[C@](Cc3ccc(-c4cccnc4)cc3)(C(N)=O)C2)cs1 19452202 YAECKXJDUMOZDW-VWLOTQADSA-N 449.576 3.873 0 40 IHAB CCNC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CCCN(C(=O)Cc2ccccn2)C1 19528545 UBJATIBRAHLLSA-MHZLTWQESA-N 442.563 3.674 0 40 IHAB CCc1nccn1CC(=O)N1CCC[C@@H](c2nc(N(C)C)ncc2-c2ccccc2F)C1 19694195 XKBUZVIGOXCLIP-QGZVFWFLSA-N 436.535 3.514 0 40 IHAB O=C1N(CCc2ccccc2)CC=CC[C@@]12CN(Cc1c[nH]nc1-c1ccccc1)CCO2 19704401 DJNMVSSXCFIPQW-HHHXNRCGSA-N 442.563 3.679 0 40 IHAB O=C(c1n[nH]c2c1CCC2)N1CCC([C@H]2CCCCN(CCc3ccccc3)C2=O)CC1 19744057 YQEYSULZPUMKBA-OAQYLSRUSA-N 434.584 3.622 0 40 IHAB Cc1noc(C)c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccccc2F)CC1 19746618 QTGSAWOCOPDADM-NRFANRHFSA-N 427.520 3.907 0 40 IHAB CCOC(=O)c1ccc(N2C(=O)C[C@@H](Nc3ccc(OC(F)(F)Cl)cc3)C2=O)cc1 710442 OVBWAYNHSDJTBX-MRXNPFEDSA-N 438.814 3.775 0 40 IHAB O=C(CSc1nnc2ccc(-c3cccnc3)nn12)Nc1cccc(C(F)(F)F)c1 9241417 OTOXXJYCOZJZHX-UHFFFAOYSA-N 430.415 3.936 0 40 IHAB O=C(NC1CCCC1)c1ccc2c(c1)[C@@H](C1CCN(C(=O)CCc3ccc[nH]3)CC1)C(=O)N2 2055771940 LGEGSRVYNLUOBE-XMMPIXPASA-N 448.567 3.594 0 40 IHAB COc1ccc(-c2noc(Cn3ccn4nc(-c5ccccc5C)cc4c3=O)n2)c(OC)c1 38652031 ZSXRKEHDFOLEKD-UHFFFAOYSA-N 443.463 3.587 0 40 IHAB COc1cc(=O)n(-c2ccccc2)nc1C(=O)Nc1ccccc1-c1cn2c(n1)CCCC2 585150262 ILCZFOYMVRBRAA-UHFFFAOYSA-N 441.491 3.693 0 40 IHAB Cc1nnc(NC(=O)[C@@H](C)Sc2ccc(NC(=O)c3ccccc3C(=O)O)cc2)s1 19636165 MNHFKVMKXGDERD-LLVKDONJSA-N 442.522 3.916 0 40 IHAB COc1ccc(-c2noc(CN3C(=O)N[C@](C)(c4cccc5ccccc45)C3=O)n2)cc1 23982539 GCHFXUKXJBSKFV-XMMPIXPASA-N 428.448 3.866 0 40 IHAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccc(NC(=O)Nc3ccccc3)cc1)C2=O 31265412 PATAWKYVFJQXLY-GYCJOSAFSA-N 449.511 3.770 0 40 IHAB CCOC(=O)Nc1ccc2c(COC(=O)COc3ccc(OCC)cc3)cc(=O)oc2c1 3452581 UJPJVOALNQZDPW-UHFFFAOYSA-N 441.436 3.882 0 40 IHAB O=C(COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)NCc1ccccc1Cl 3482474 JPPMKCAOEUJJKU-UHFFFAOYSA-N 448.862 3.614 0 40 IHAB C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)NC2CCCCCCC2)C1=O 3563642 RXGONSFLDQSEMC-HXUWFJFHSA-N 426.344 3.990 0 40 IHAB CC(C)(C)NC(=O)[C@H](c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1ccc(F)cc1 6075071 INIMQDIWKDVHQU-QFIPXVFZSA-N 449.486 3.853 0 40 IHAB C[C@@H](Nc1ccc2c(c1)OCO2)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 8718362 HDXYGUITIDVAGU-CYBMUJFWSA-N 437.418 3.710 0 40 IHAB COc1ccc(C(=O)Oc2ccc([C@@H]3NC(=O)c4c(sc5c4CCN(C)C5)N3)cc2)cc1 8771735 HZXSBYXYXOBLLH-OAQYLSRUSA-N 449.532 3.818 0 40 IHAB CCc1ccc2occ(CC(=O)N(Cc3ccc(F)cc3)[C@@H]3CCS(=O)(=O)C3)c2c1 8869309 KZKVYOMONWRLPF-HXUWFJFHSA-N 429.513 3.893 0 40 IHAB O=C(Nc1nc2c(s1)CC[C@@H]2C(=O)NCc1ccc2c(c1)OCO2)c1ccc(F)cc1 9131526 YAHGMWGYLKHTLX-HNNXBMFYSA-N 439.468 3.609 0 40 IHAB COc1ccc(NC(=O)COC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1Cl 9245674 VGMAJEULEUMSDH-UHFFFAOYSA-N 445.903 3.774 0 40 IHAB O=C(CN(Cc1ccccc1Cl)S(=O)(=O)/C=C/c1ccccc1)NCC(F)(F)F 9441923 HKQIZWAREFJWAF-ZHACJKMWSA-N 446.878 3.821 0 40 IHAB Nc1c(C(=O)NC2CCCC2)c2nc3ccccc3nc2n1Cc1ccc2c(c1)OCO2 9462187 RQAQPYJPIKYFBE-UHFFFAOYSA-N 429.480 3.616 0 40 IHAB O=C(Nc1nc(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)cs1)c1ccccc1 9573698 LNQQUYVTAKVUBM-UHFFFAOYSA-N 440.956 3.940 0 40 IHAB O=C1CN(C(=O)COC(=O)c2c3c(nc4ccccc24)CCCCC3)c2ccccc2N1 9666657 MIHUMXODOXTIFW-UHFFFAOYSA-N 429.476 3.646 0 40 IHAB Cc1c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCC(c1ccccc1)c1ccccc1 9713461 BLWPFZIMGTXXNH-UHFFFAOYSA-N 441.535 3.525 0 40 IHAB Cn1c(Cl)cnc1CSc1nnc(-c2ccc3c(=O)n4c(nc3c2)CCCCC4)o1 9960392 YHWPAEZNKCBKAU-UHFFFAOYSA-N 442.932 3.852 0 40 IHAB COc1ccccc1/C=C/C(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 10001869 HEASFOTXCKHELO-LFIBNONCSA-N 436.533 3.868 0 40 IHAB COc1cccc(-c2nnc(O)c3c2[C@@H](c2ccc(Cl)cc2Cl)n2nnnc2N3)c1 10296995 JLAUMEMESRFMIR-QGZVFWFLSA-N 442.266 3.846 0 40 IHAB O=S(=O)(c1ccccc1C(F)(F)F)N1CCN(c2ccc(-c3ccccc3)nn2)CC1 11695331 RLOHZWJFXIUWRK-UHFFFAOYSA-N 448.470 3.673 0 40 IHAB CCCCSc1nnc(NC(=O)c2nn(-c3ccc(OCC)cc3)ccc2=O)s1 11917034 BYPCSKUHAILWNE-UHFFFAOYSA-N 431.543 3.627 0 40 IHAB COc1ccc2c(c1)N[C@]1(COC3(CCN(C(=O)c4ccc(C)nc4)CC3)C1)c1cccn1-2 12086239 HXIHAFZCOULXPV-AREMUKBSSA-N 444.535 3.905 0 40 IHAB CN1CCN(c2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)[C@@H](c2ccccc2)C1 12554535 RPZVXLDOMUCXRK-QGZVFWFLSA-N 449.864 3.793 0 40 IHAB COc1ccc(-c2noc(CNC(=O)COc3ccc(Cl)cc3Cl)n2)cc1OC 12654558 CBBSUZIRYWZEFH-UHFFFAOYSA-N 438.267 3.756 0 40 IHAB O=C(c1ccc(Cl)cc1)N1CCCC[C@@H](Sc2nnnn2Cc2cccs2)C1=O 12679603 PPJPGHUBHQINMK-MRXNPFEDSA-N 447.973 3.750 0 40 IHAB CCOc1ccc([C@@H](CNC(=O)c2cc(Cl)ccc2F)N2CCOCC2)cc1OC 12816115 MCVJVXLBAFNLJW-LJQANCHMSA-N 436.911 3.690 0 40 IHAB COc1cc(OC)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)cc1Cl 12822442 ZAMSEKOGOICZAV-UHFFFAOYSA-N 433.313 3.513 0 40 IHAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CCC(=O)Nc1cc(C)cc(C)c1)n2CC(C)C 13134478 UGYNQLRVAJBELQ-UHFFFAOYSA-N 439.560 3.531 0 40 IHAB Cc1ccc([C@H]2OCC(C)(C)n3c(-c4ccccc4)c4c(=O)n(C)c(=O)n(C)c4c32)c(O)c1 13573690 ZUZPDZMMJDWLFM-HSZRJFAPSA-N 445.519 3.574 0 40 IHAB COCCCNC(=O)c1cc2cc(N(Cc3ccc(C)cc3)S(C)(=O)=O)ccc2s1 13584119 NTLFDQGLMNDALU-UHFFFAOYSA-N 446.594 3.942 0 40 IHAB COc1ccc(S(=O)(=O)Nc2nc(CC(=O)Nc3ccc4[nH]ccc4c3)cs2)cc1 13733776 NITBSHXSLIBEHD-UHFFFAOYSA-N 442.522 3.615 0 40 IHAB Cc1nc(S[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)n(C2CCCCC2)c1C 14085441 KDRJWNOXFZETGM-HNNXBMFYSA-N 436.603 3.772 0 40 IHAB CC(=O)Nc1ccc(OC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 14628038 XQQSKRJUFGSHMC-UHFFFAOYSA-N 438.505 3.998 0 40 IHAB COc1cc(/C=C/C(=O)NCc2nnc3ccc(C(F)(F)F)cn23)ccc1OC(F)F 14678671 IIQUXIBRIHSMMU-XVNBXDOJSA-N 442.344 3.688 0 40 IHAB COc1ccccc1NS(=O)(=O)c1cccc(-n2c(=S)[nH]c3ccccc3c2=O)c1 15251627 JTWVQUXHKMTRQR-UHFFFAOYSA-N 439.518 3.858 0 40 IHAB O=C(COc1ccc(Cl)cc1)NC(=S)Nc1ccc(Br)cc1C(=O)O 16428785 QOVQBGKDBXZXTM-UHFFFAOYSA-N 443.706 3.693 0 40 IHAB CC(C)C[C@H](NC(=O)Nc1cccc(C(F)(F)F)c1)C(=O)N[C@H](CC(C)C)C(=O)O 16575050 KFSFYAHTWGOIFD-JKSUJKDBSA-N 431.455 3.857 0 40 IHAB CCCOc1ccccc1/C=c1\sc2nc(/C=C/c3ccc(OC)c(OC)c3)nn2c1=O 16742143 LGAALKICZLIESE-VEYSXCRSSA-N 449.532 3.675 0 40 IHAB Cc1cc(C)c(NC(=O)CSc2ncc(S(=O)(=O)c3cccs3)c(N)n2)c(C)c1 16842186 MZYDJHUFASXQEP-UHFFFAOYSA-N 448.595 3.609 0 40 IHAB CCOc1cc(C(=O)NCc2nnc(S)n2-c2ccccc2)cc(OCC)c1OCC 17307085 NVTBOIYRIJYYEI-UHFFFAOYSA-N 442.541 3.682 0 40 IHAB CN1CCCN(C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)c2nc3ccccc3nc21 18084454 XVZIBXKRAWJRLN-UHFFFAOYSA-N 435.915 3.897 0 40 IHAB CC(=O)Nc1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(Cl)c(C)cc2O3)cc1 19125667 UQAUMGXHIRLYEN-FCHUYYIVSA-N 444.959 3.991 0 40 IHAB COc1ccc(-c2noc([C@H]3CN(C(=O)CCOc4ccc(Cl)cc4)CCO3)n2)cc1 19558485 DVCMLOMATASFQO-LJQANCHMSA-N 443.887 3.768 0 40 IHAB COc1cccc(CN2CCC[C@H]([C@@H]3C[C@@H](C(=O)Nc4ccccc4OC)CN3C)C2)c1 19587541 NCDNKBWKCYFGNK-IMSXRSKXSA-N 437.584 3.875 0 40 IHAB CCc1nnsc1C(=O)N1CCC[C@@H]1c1nc(N(C)C)ncc1-c1cccc(OC)c1 19689836 OISLGCRVJBWLQF-GOSISDBHSA-N 438.557 3.609 0 40 IHAB Cc1ccc(CN2C(=O)CCc3c(C)nc([C@@H]4CCCN4C(=O)c4ccccn4)nc32)cc1 19740367 HHENEJSILGYLIK-QFIPXVFZSA-N 441.535 3.945 0 40 IHAB Cc1nc([C@H]2CCCCN2Cc2cccnc2N(C)C)nc2c1CCC(=O)N2CC1CC1 19741077 GBNQVFROMKBYFJ-OAQYLSRUSA-N 434.588 3.662 0 40 IHAB Cc1ncc(C(=O)N2CC[C@H](c3nc(C)c4c(n3)N(Cc3ccccc3)CCC4)C2)c(C)n1 19752652 URRKGFLESONSMJ-NRFANRHFSA-N 442.567 3.774 0 40 IHAB CC(C)NC(=O)c1cc([C@@H]2CCN(C(=O)CCc3nc(C(C)C)no3)C2)nc2ccccc12 19761147 ZRIRNAXVIUTPHX-QGZVFWFLSA-N 449.555 3.828 0 40 IHAB CCOc1ccc(-c2cc(C(=O)N(Cc3ccccc3)[C@H]3CCS(=O)(=O)C3)no2)cc1 21786684 FSGNOYBSCFHEEL-IBGZPJMESA-N 440.521 3.570 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccc(F)cc1F 22248693 DQJHJKGCVPVQLK-UHFFFAOYSA-N 432.876 3.666 0 40 IHAB Cc1ccc(C)c([C@@H](C)NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)c1 22339243 BHBPQBBNCQJZCP-OAHLLOKOSA-N 439.375 3.709 0 40 IHAB CCCOc1ccc(N(CC(=O)Nc2ccccc2C(F)(F)F)S(C)(=O)=O)cc1 22387373 ZXCJCORGJMQEKN-UHFFFAOYSA-N 430.448 3.899 0 40 IHAB C[C@H](NC(=O)CN1CCN(Cc2ccc(Br)s2)CC1)c1ccc(F)cc1 22912342 ZDDCDWMAKPFSRQ-AWEZNQCLSA-N 440.382 3.645 0 40 IHAB CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)c2nc3nccc(C)n3n2)c1 23192829 RKUWFAZZYWGMQU-KRWDZBQOSA-N 428.496 3.795 0 40 IHAB CCOc1ccccc1/C=C/C(=O)N1CCN(Cc2nc(-c3ccc(C)cc3)no2)CC1 24831046 KKDDHIDEWPUEEF-OUKQBFOZSA-N 432.524 3.801 0 40 IHAB COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc[nH]c3=S)ccc2OC)cc1 24926359 FJJLTGUZEBNPMW-UHFFFAOYSA-N 445.522 3.814 0 40 IHAB Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N3CCN(C(=O)c4ccccc4)CC3)c12 25611775 CRDLMVZCRCQWFD-UHFFFAOYSA-N 445.548 3.603 0 40 IHAB CCOC(=O)c1cc(CC)sc1NC(=O)c1nn(-c2ccccc2F)c(C)cc1=O 29475493 AQNRBRBDCPUOQR-UHFFFAOYSA-N 429.473 3.733 0 40 IHAB O=C(c1cccc(C(=O)N2CCC[C@H]2c2cccnc2)n1)N1CCC[C@H]1c1cccnc1 30646681 QILREJBPLBYXMH-GOTSBHOMSA-N 427.508 3.826 0 40 IHAB CCOc1ccc([C@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)cc1 30815523 UMHGHKKTYHOSSG-WMZOPIPTSA-N 436.599 3.733 0 40 IHAB CNS(=O)(=O)c1ccc(CCC(=O)Nc2cc(Cl)ccc2N2CCCCC2)cc1 31487021 RJLSIXVWBLRVEE-UHFFFAOYSA-N 435.977 3.810 0 40 IHAB O=C(Cn1cnc2c(oc3nc(-c4ccccc4)c4c(c32)CCC4)c1=O)Nc1nccs1 32094736 NXWYSBUZZZBBGY-UHFFFAOYSA-N 443.488 3.789 0 40 IHAB COc1cc2c(cc1OC)-n1c(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cnc1C2 32611956 ZUAWACZUSLFOMT-UHFFFAOYSA-N 440.308 3.901 0 40 IHAB Cc1ccc(OCc2nc(CC(=O)N3CCC[C@H]3c3nnc4ccccn34)cs2)cc1 32841801 NWRMZFIQZMAVMJ-IBGZPJMESA-N 433.537 3.979 0 40 IHAB COC[C@H](C)n1c(C)cc(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3Cl)C2=O)c1C 32859549 RCQQBJFIHTXGEI-FPTDNZKUSA-N 431.920 3.616 0 40 IHAB COc1ccc(CNC(=O)C2CCN(c3cc(Oc4ccccc4)ncn3)CC2)cc1OC 33311953 OQXRREHMFUCPRD-UHFFFAOYSA-N 448.523 3.819 0 40 IHAB C[C@@H](c1nc2ccccc2s1)N1CCN(C(=O)CN2CCc3sccc3C2)CC1 40158117 OLBIODJTQJRZNR-INIZCTEOSA-N 426.611 3.621 0 40 IHAB CCc1nnc2ccc(S(=O)(=O)N(Cc3ccc(F)cc3)c3ccc(OC)cc3)cn12 49408351 WLPNMSKQVAPLJN-UHFFFAOYSA-N 440.500 3.835 0 40 IHAB O=C(Nc1cccc(Br)c1)c1nc(-c2cn(Cc3ccc(F)cc3)nn2)no1 49410331 KWCZKVWARVOWAV-UHFFFAOYSA-N 443.236 3.530 0 40 IHAB CCC[C@H](C)NC(=O)[C@H]1CCCN(Cc2cc3c(cc2Br)OCCO3)C1 58312352 WCDUNZXTKJKEQM-GJZGRUSLSA-N 425.367 3.737 0 40 IHAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCc3ccccc3)Oc3ccc(C)cc32)cc1 64985784 KFMAEKKGCZMLKI-HSZRJFAPSA-N 436.533 3.576 0 40 IHAB Cc1cccc(-c2noc(-c3ccc(=O)n(CC(=O)NCCc4ccc(Cl)cc4)c3)n2)c1 67289568 AOBTWDUBYSWPBM-UHFFFAOYSA-N 448.910 3.886 0 40 IHAB C[C@H](Sc1nncn1C)C(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 70005919 BNADWCOCUVQJGL-AWEZNQCLSA-N 442.416 3.727 0 40 IHAB O=C(Cc1csc(COc2ccc(Cl)cc2)n1)N[C@H]1CS(=O)(=O)c2ccccc21 72288217 DXYDDLPHZSRINU-KRWDZBQOSA-N 448.953 3.563 0 40 IHAB CC(C)Nc1n[nH]c2nc([C@H]3CCCN3C(=O)c3cccc(CN4CCCC4=O)c3)ccc12 72374562 MZOMUIKTEDFVKT-OAQYLSRUSA-N 446.555 3.878 0 40 IHAB Cc1nnc(Nc2cccc(C3CCN(CC(=O)N(C)C4CCCCC4)CC3)n2)s1 72376137 RVDDBSNYTWBPHK-UHFFFAOYSA-N 428.606 3.956 0 40 IHAB COc1cccc(Cn2c(=O)[nH]c3cc(-c4nc(-c5ccc(C)cc5)no4)ccc3c2=O)c1 85601862 YIEXNQNLEXBUMX-UHFFFAOYSA-N 440.459 3.772 0 40 IHAB CCOC(=O)c1cc(C)cc(Br)c1NS(=O)(=O)c1cn([C@H](C)CC)cn1 95965990 OMBNFLHEIOSMTN-GFCCVEGCSA-N 444.351 3.903 0 40 IHAB COCCN(CCOc1ccc(F)cc1)C(=O)[C@@H]1CCn2c(cnc2-c2ccccc2)C1 95993197 MVOHUPVGJJZNKB-HXUWFJFHSA-N 437.515 3.806 0 40 IHAB CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccncc4)[C@H]3C2=O)cc1 101123764 ZZEGYUHGFNNAND-VJBWXMMDSA-N 429.476 3.922 0 40 IHAB COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccccc2)ccc1O 102712683 KGEQGIAXPBGPBH-YPAWHYETSA-N 434.423 3.591 0 40 IHAB Cc1ccc(N([C@H](C)C(=O)NCCCc2ccc(F)cc2)S(C)(=O)=O)cc1Cl 220368127 VXLBXPVMPYRIIC-OAHLLOKOSA-N 426.941 3.691 0 40 IHAB CC[C@H](C(=O)NCCSCc1ccccc1F)N(c1cccc(C)c1)S(C)(=O)=O 220516997 FLJUJLADAQMYKX-HXUWFJFHSA-N 438.590 3.728 0 40 IHAB CC[C@H](C(=O)N[C@@H](C)COc1ccc(C)cc1)N(c1cc(C)ccc1C)S(C)(=O)=O 220555388 HDSLQNYAQFNAAA-PZJWPPBQSA-N 432.586 3.740 0 40 IHAB CC[C@H](C(=O)NCCOc1cccc(C)c1C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 223939136 STOJAQBCOSUYQM-OAQYLSRUSA-N 432.586 3.660 0 40 IHAB Cc1cccc(OCCNC(=O)CCCN(c2cc(Cl)ccc2C)S(C)(=O)=O)c1 224049563 BEEIQUUFTUGZJO-UHFFFAOYSA-N 438.977 3.698 0 40 IHAB CCCc1ccc(OCCNC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1 224057281 SENPUMXRMZQMOB-UHFFFAOYSA-N 446.613 3.898 0 40 IHAB O=C(NCCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 224218532 MSHDWBIASHEMRL-UHFFFAOYSA-N 449.016 3.673 0 40 IHAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-n1cnnc1 224425203 FVYZIBONSFVYBK-SFTDATJTSA-N 433.516 3.719 0 40 IHAB COc1ccc(N(Cc2ccc(C(=O)NCC3CCCCC3)cc2)S(C)(=O)=O)cc1 224697908 WXZTZKYSKCPDHK-UHFFFAOYSA-N 430.570 3.972 0 40 IHAB Cc1cc(OCC(=O)NCc2cccc(CN3CCOCC3)c2)cc(C)c1Br 224732520 MYJYMUKKGJNBIA-UHFFFAOYSA-N 447.373 3.593 0 40 IHAB CC(C)n1c(=O)sc2cc(S(=O)(=O)Nc3ccccc3C(=O)NC(C)(C)C)ccc21 225714257 FPZJXZBEUYQPEU-UHFFFAOYSA-N 447.582 3.973 0 40 IHAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1ccc(OC)cc1 225750008 VEVWKLGTBVEWFQ-FDDCHVKYSA-N 442.556 3.805 0 40 IHAB CCC1(CC)C[C@@H](NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)c2ccccc2O1 225781077 SLRKTBXVPYOIAI-LJQANCHMSA-N 434.533 3.791 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCC(C)(C)C)cc2)cc1Cl 226083405 KOXMULHVALUEOL-UHFFFAOYSA-N 440.949 3.691 0 40 IHAB Cc1cnn(C(=O)c2ccc(F)cc2F)c1[C@H]1COCCN1C(=O)c1ccc(F)cc1F 257208037 BKJWDLUGHHCJFB-LJQANCHMSA-N 447.388 3.650 0 40 IHAB Cc1cccnc1Nc1ccc([C@H]2CN(CC(=O)Nc3cccc(F)c3C)CCO2)nc1 257319419 VSLGYTZMGKUXJQ-JOCHJYFZSA-N 435.503 3.988 0 40 IHAB COC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(OC)c(Br)c2)c1 324559672 PINRYVNPJGZOIW-UHFFFAOYSA-N 434.695 3.699 0 40 IHAB C[C@@H](NC(=O)CSc1n[nH]c(-c2cc(Br)ccc2O)n1)c1ccccc1 408544287 VBEVAYBSDGPWSW-LLVKDONJSA-N 433.331 3.909 0 40 IHAB COc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cc(Cl)cc(Cl)c3)CC2=O)cc1 409128130 HNSUFBGRMUNAKJ-GFCCVEGCSA-N 437.279 3.537 0 40 IHAB Cc1ccc(C(=O)N[C@H](c2nnc(SCC(=O)Nc3ccccc3)n2C)C(C)C)cc1 409152005 JBTVKCBRMCNFBX-FQEVSTJZSA-N 437.569 3.981 0 40 IHAB CCn1c(C(=O)N2CCNC(=O)[C@@H]2c2ccccc2Br)cc2ccccc21 503806653 VAOHMWFLECTNQN-IBGZPJMESA-N 426.314 3.737 0 40 IHAB Cc1c(C(=O)N2CC[C@H](c3ccccc3Cl)S(=O)(=O)CC2)cnn1-c1ccccc1 575414568 BNPPOCJPEVSYNN-OAQYLSRUSA-N 443.956 3.836 0 40 IHAB Cc1cc(C)c(-n2nnnc2C2(NCCc3c[nH]c4ccccc34)CCN(C)CC2)c(C)c1 575443588 DISFMZYVMFTJPQ-UHFFFAOYSA-N 443.599 3.822 0 40 IHAB in-vitro Cc1nc(Nc2nc(C)c(C)s2)cc([C@H]2CCCN(C(=O)/C=C/c3ccnn3C)C2)n1 585291328 BAVDOBCXNZUASX-OZSKJFCKSA-N 437.573 3.755 0 40 IHAB O=C(Cc1ccccc1)N1CCO[C@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1 607855390 SGIBSXYKGKDOAB-QFIPXVFZSA-N 425.916 3.827 0 40 IHAB Cc1cccc2cc(CN(Cc3nnnn3Cc3ccccc3)C3CCCC3)c(=O)[nH]c12 926393 GKUQGTGAOFCZFJ-UHFFFAOYSA-N 428.540 3.816 0 40 IHAB O=S(=O)(c1ccc(-c2cs/c(=N\c3ccccc3)n2CCO)cc1)N1CCCCC1 1060611 ZBFUVRLGRUOYLJ-FCQUAONHSA-N 443.594 3.616 0 40 IHAB COc1ccc(OC)c([C@@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)NC2CCCCC2)c1 5217528 KPUTUTOASGKPLY-SDUSCBPUSA-N 430.589 3.821 0 40 IHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(Sc2nnnn2C2CCCC2)nc1 8710750 ICWAYNNIVSBDSK-UHFFFAOYSA-N 430.559 3.550 0 40 IHAB CCCN1C(=O)C(C)(C)COc2cc(NS(=O)(=O)c3ccc(OC)c(C)c3)ccc21 9167563 GZSDFSJMXCWVNK-UHFFFAOYSA-N 432.542 3.966 0 40 IHAB CCN(CC)CCCNC(=O)CN1C(=O)c2ccccc2[C@H]1c1cn(C)c2ccccc12 9289188 PIMWFPVRDXQRQB-VWLOTQADSA-N 432.568 3.572 0 40 IHAB Cc1ccc2c(c1)[C@H]1CC(c3ccccc3Cl)=NN1C1(CCN(S(C)(=O)=O)CC1)O2 9359805 CEINMDKSSZGRPD-HXUWFJFHSA-N 445.972 3.944 0 40 IHAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1 9365016 JGRFKVYMQHPVDN-INIZCTEOSA-N 441.487 3.956 0 40 IHAB CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)c1cccc3ccccc13)n2CCC 9520640 HYDBJTLZMLHQFA-UHFFFAOYSA-N 434.496 3.607 0 40 IHAB O=C(CCS(=O)(=O)c1ccccc1)Nc1nc2c(Br)cccc2s1 9599659 PINSOQCYYRKILN-UHFFFAOYSA-N 425.329 3.861 0 40 IHAB O=C(CSc1ccc2nnc(-c3ccncc3)n2n1)Nc1cccc(C(F)(F)F)c1 9599845 VMOHVXJLAIKYEZ-UHFFFAOYSA-N 430.415 3.936 0 40 IHAB CCCCn1c(=O)c(CCC(=O)OCc2nc(-c3ccccc3)no2)nc2ccccc21 9604727 UUSCKLPTVPSRAJ-UHFFFAOYSA-N 432.480 3.923 0 40 IHAB Cc1c(NC(=O)COC(=O)Cc2ccc(Cl)cc2Cl)c(=O)n(-c2ccccc2)n1C 9632902 MAGBNWKRRLMNQI-UHFFFAOYSA-N 448.306 3.516 0 40 IHAB COc1cc(C)ccc1NC(=O)Cc1csc(NC(=O)c2ccc3c(c2)OCO3)n1 9659345 XHTJWVAKLUBRRX-UHFFFAOYSA-N 425.466 3.622 0 40 IHAB Cc1ccc(S(=O)(=O)c2nnn3c2nc(N2CCCC2)c2cc(Cl)ccc23)cc1C 9830018 VZLKRRUMFAIFMX-UHFFFAOYSA-N 441.944 3.981 0 40 IHAB Cc1ccc(NC(SCc2ccc([N+](=O)[O-])cc2)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 9973829 TZDCURFEXBMITL-UHFFFAOYSA-N 440.481 3.511 0 40 IHAB COc1cccc(N(CC(=O)NCCCc2ccccc2)S(=O)(=O)c2ccccc2)c1 10110188 DDKWYRHXCGKXQH-UHFFFAOYSA-N 438.549 3.640 0 40 IHAB O=C(CSc1nnc(Nc2ccc(F)cc2)s1)NCCc1ccc2c(c1)OCCO2 10422707 SUAMYCHBXBHCMJ-UHFFFAOYSA-N 446.529 3.643 0 40 IHAB Cc1cc(N2CCN([C@H]3CC(=O)N(c4ccc5ccccc5c4)C3=O)CC2)nc(C(C)C)n1 11267217 ALWSGGPNEVISMC-QFIPXVFZSA-N 443.551 3.516 0 40 IHAB O=C(C[C@@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21)Nc1ccc(Cl)cc1 12233131 XTKQFWDAOBAVAH-MRXNPFEDSA-N 437.912 3.911 0 40 IHAB Cc1ccccc1OCCN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 12856281 FIEANNWGHMXLTM-UHFFFAOYSA-N 436.961 3.584 0 40 IHAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)c1 12995636 FNQWYRZTXHSCPZ-UHFFFAOYSA-N 430.309 3.739 0 40 IHAB CCOc1cc(/C=C/C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)cc(Cl)c1OC 13008468 JAZUNILKIUDHAF-MDZDMXLPSA-N 427.888 3.656 0 40 IHAB C[C@H](NCC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccc(F)cc1F 13011613 TZVHDBSOZUODAO-NSHDSACASA-N 425.361 3.854 0 40 IHAB COCCOC(=O)c1sc2nc(CN[C@H](C)c3cccc(Cl)c3)[nH]c(=O)c2c1C 13040172 NRESIBKDHAGTHT-GFCCVEGCSA-N 435.933 3.600 0 40 IHAB CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)COc1ccc(C(=O)CC)cc1 13070711 CBAQPYHRLJPHIF-UHFFFAOYSA-N 441.915 3.987 0 40 IHAB COc1ccc(C[C@@H](NC(=O)c2ccc(-c3nnn[nH]3)cc2)c2ccc(OC)cc2)cc1 14168408 JTFUFRRGUWUURQ-JOCHJYFZSA-N 429.480 3.598 0 40 IHAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 14245029 VAMUULYQXAVBBO-HXUWFJFHSA-N 444.457 3.713 0 40 IHAB C[C@@H](CCc1ccccc1)NC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 14255553 DFSGNGXIIXKUGB-UETJRYKRSA-N 426.582 3.837 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(Cl)c(Cl)c1 14426201 MYBVAEKTHMSRMM-UHFFFAOYSA-N 429.325 3.575 0 40 IHAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Cn1c(C(F)(F)F)nc2ccccc21 15095865 IPWNRQFQDQDYKR-CQSZACIVSA-N 428.418 3.855 0 40 IHAB COc1ccc(Cn2nnnc2S[C@@H](C)C(=O)c2ccc(Br)cc2)cc1 16368949 RYJQEQXWICXQMM-LBPRGKRZSA-N 433.331 3.856 0 40 IHAB CC[C@@H]1CCc2c(sc(NC(=O)COCC(=O)O)c2C(=O)Nc2ccccc2C)C1 17097010 BQBAMIKSJLQGJM-CQSZACIVSA-N 430.526 3.863 0 40 IHAB CCc1ccc(C(=O)NC(=S)NCc2ccc(-c3nn4c(C)nnc4s3)cc2)cc1 17100586 UYGOUPAYNFDWRN-UHFFFAOYSA-N 436.566 3.528 0 40 IHAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)[C@@H](O)[C@@H](O)C(=O)O[C@H]1C[C@H](C)CC[C@H]1C(C)C 18145983 HSENALUPARAQJF-PAJIKSTKSA-N 426.594 3.716 0 40 IHAB COc1ccc(-c2cc3nc([C@@H](C)NC(=O)[C@H](C)Oc4cccc(F)c4)nn3cn2)cc1 19575499 XSQWAQGZUZRCDL-CABCVRRESA-N 435.459 3.584 0 40 IHAB CN(C)C(=O)c1sc2ncccc2c1[C@H]1CN(C(=O)c2ccc3ncccc3c2)CCO1 19702981 JQAYAMMEVIPPAK-LJQANCHMSA-N 446.532 3.760 0 40 IHAB CC(=O)N(C)Cc1cc(N(C)C)nc([C@H]2CCCCN2C(=O)c2oc3ccccc3c2C)n1 19709927 PRAULCLEGMVUNP-HXUWFJFHSA-N 449.555 3.943 0 40 IHAB Cc1cnc2c(C(=O)N3CCC([C@H]4CCCCN(Cc5ccccc5)C4=O)CC3)cnn2c1 19743945 KVTSMRNCMIMCRJ-JOCHJYFZSA-N 445.567 3.719 0 40 IHAB O=C(NCc1ccc(Cl)cc1Cl)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 19867548 ILQWMHWOCPPLIB-UHFFFAOYSA-N 441.380 3.852 0 40 IHAB O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)NC(c1ccccc1)c1ccccc1 19930754 GSOKAWGSULCHME-UHFFFAOYSA-N 434.561 3.966 0 40 IHAB CCn1cc([C@@H]2NC(=O)Nc3c2c(=O)[nH]c2c3sc3nc(C(F)(F)F)cc(C)c32)cn1 20607323 MKLPWBCJMHDFSG-LBPRGKRZSA-N 448.430 3.906 0 40 IHAB Cn1ccnc1[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1)c1ccc(Cl)cc1 21601019 HDHSCMKRZHAYEY-QRWLVFNGSA-N 443.334 3.986 0 40 IHAB COc1ccc([C@@H](C)NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2cccs2)cc1 22397373 ORAKBGQTQJHYPT-OAHLLOKOSA-N 448.541 3.969 0 40 IHAB COc1ccc2cc(COC(=O)COc3ccc4c(c3)CCC(=O)N4)c(Cl)nc2c1 22520460 DVZHUQKHAFBSSA-UHFFFAOYSA-N 426.856 3.904 0 40 IHAB O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)c1cc(-c2cccnc2)nc2ccccc12 23074908 TWTDGGQRVALANW-JOCHJYFZSA-N 438.531 3.928 0 40 IHAB CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1 24302859 SFFKJUHNVMAVAY-UHFFFAOYSA-N 437.540 3.927 0 40 IHAB CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCc1ccc(Cn2ccnc2)cc1 24748997 ZCMFUKFTIJDTLY-MCSIRMTHSA-N 448.611 3.905 0 40 IHAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1 30943936 ZEMSJMNFFRLGPJ-JTSKRJEESA-N 444.597 3.649 0 40 IHAB Cc1ccc([C@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CCCN2CCOCC2)cc1 32622248 VUUGVPXPTUOVTD-DEOSSOPVSA-N 446.547 3.986 0 40 IHAB CNC(=O)c1ccc(/C=C2/C(=O)N(Cc3ccc(OC)cc3)C(=O)c3ccccc32)cc1 32760954 YMQJHFJQIACBQO-HZHRSRAPSA-N 426.472 3.778 0 40 IHAB Cc1ccc(Cn2ncc3c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc(C)nc32)cc1 32898813 PZONMUGUTXBCJS-UHFFFAOYSA-N 449.555 3.789 0 40 IHAB CN(C)c1ccc(NC(=O)CSc2nnc(NC(=O)c3ccc(F)cc3F)s2)cc1 35314368 RMXZRYQSKWXEAR-UHFFFAOYSA-N 449.508 3.865 0 40 IHAB CCCCn1c(=O)c2sccc2n2c(CCC(=O)NCc3ccc(Cl)cc3)nnc12 35528738 HJUHEKUJHZBVDG-UHFFFAOYSA-N 443.960 3.808 0 40 IHAB C[C@@H]1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CCN1C(=O)OC(C)(C)C 35636617 UJHJOJIPEYCXDP-CYBMUJFWSA-N 445.491 3.619 0 40 IHAB in-vitro COc1cc(NC(=O)c2ccc(Cn3cnc4ccccc4c3=O)cc2)cc(OC)c1OC 36357253 CJNBVTRCJSEZSU-UHFFFAOYSA-N 445.475 3.723 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(c3nnc(-c4ccc(F)cc4)o3)CC2)cc1C 38519087 NSEXDUUGAJVOQC-UHFFFAOYSA-N 431.489 3.761 0 40 IHAB COC(=O)c1cc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc(C(=O)OC)c1 38773068 MCEQMXRMUNQLRU-UHFFFAOYSA-N 441.461 3.853 0 40 IHAB CCc1sc2nc(Sc3ccc4nnnn4n3)n(Cc3ccc(C)cc3)c(=O)c2c1C 40025161 LBVZEAGKXQRTSZ-UHFFFAOYSA-N 449.565 3.669 0 40 IHAB COCc1nn2c(C)c(C(=O)Nc3cc(C)ccc3OC)nnc2c1-c1ccc(OC)cc1 40372592 LHXVNOUAQWSBNZ-UHFFFAOYSA-N 447.495 3.824 0 40 IHAB COc1ccc(NC(=O)NCc2ccc(-n3nc(C)cc3C)nc2)cc1N1CCCCC1=O 48253737 WFCQKVCWJSLJIO-UHFFFAOYSA-N 448.527 3.731 0 40 IHAB COc1ccc(OC)c(N2CCN(CC(=O)N(Cc3ccccc3)c3ccccn3)C2=O)c1 49391721 OFFGMHXDAJIDLM-UHFFFAOYSA-N 446.507 3.574 0 40 IHAB Cc1ccc2nc3c(cc2c1)C[C@@]1(C(=O)NC(=O)N(C2CCCCC2)C1=O)[C@H]1CCCCN31 49749970 HNRZMLRLNGETIV-RLWLMLJZSA-N 446.551 3.856 0 40 IHAB CCN(C(=O)Cn1c(=O)n(CCc2cccs2)c(=O)c2sccc21)c1ccccc1 57493757 RZQUCDDOTOYEKN-UHFFFAOYSA-N 439.562 3.582 0 40 IHAB CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1ccnc(OCC(F)(F)F)c1 58218327 RBXHXPSVXAVVTP-DNVCBOLYSA-N 449.473 3.639 0 40 IHAB COc1c(Br)cc(Cl)cc1S(=O)(=O)Nc1ccc(F)cc1C(=O)O 58377811 HJHYGYMZFIUGGI-UHFFFAOYSA-N 438.658 3.749 0 40 IHAB O=C(N[C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1)c1ccc(-n2ccnc2)nc1 58377969 XFGQCVWIKULXEG-IBGZPJMESA-N 439.475 3.595 0 40 IHAB CCOc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccc(F)c(Cl)c2)c1C 67323143 MIQJDJDFHLERHA-UHFFFAOYSA-N 431.855 3.669 0 40 IHAB COc1ccc(-n2c(=O)[nH]c3cc(-c4nc(-c5ccc(C)cc5)no4)ccc3c2=O)cc1 67341525 VZWKAOSYDCUDFT-UHFFFAOYSA-N 426.432 3.713 0 40 IHAB O=S1(=O)N[C@H](C2CCN(Cc3[nH]c4ccccc4c3Cl)CC2)Nc2ccccc21 72338952 SHZNTROASFPKNO-OAQYLSRUSA-N 430.961 3.763 0 40 IHAB COc1ccccc1CNC(=O)c1cnc([C@H]2CCCN2C(=O)CC2CCCC2)nc1C 72345392 UHBJSQUUWAVXBX-OAQYLSRUSA-N 436.556 3.967 0 40 IHAB CCN1CCN(C(=O)c2cc(C(C)(C)C)n[nH]2)[C@@H](Cc2ccccc2-c2ccncc2)C1=O 72351340 YHMLYMXPAJWPQF-QFIPXVFZSA-N 445.567 3.685 0 40 IHAB COCc1cc(C)nc2sc(-c3nc4ccc(Br)cc4c(=O)[nH]3)c(N)c12 78547019 BDBPBNCTIJKUFR-UHFFFAOYSA-N 431.315 3.999 0 40 IHAB Cc1noc([C@@H]2CCCN(C(=O)c3cc(-c4ccccc4)c(N4CCOCC4)s3)C2)n1 84286587 AYBDMBDWYYOMLD-GOSISDBHSA-N 438.553 3.963 0 40 IHAB COc1cnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(CC(C)C)cc3)cc2)nc1 95440788 YUNBJLDGLAQOMZ-UHFFFAOYSA-N 440.525 3.737 0 40 IHAB COc1ccc([C@H]2c3c(cc(C)oc3=O)O[C@@H]2C(=O)Nc2ccc(Cl)cc2)cc1O 96336019 ZALLGLVRKPITCR-ICSRJNTNSA-N 427.840 3.847 0 40 IHAB COc1ccccc1N1C(=O)C[C@@H](c2c(C)nn(-c3nc4ccccc4s3)c2O)C1=O 100068885 IULITLOHKGRDSJ-ZDUSSCGKSA-N 434.477 3.552 0 40 IHAB Cc1ccccc1CSCCNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 219982140 VNTPOOLWPBMPAK-UHFFFAOYSA-N 432.611 3.833 0 40 IHAB COc1ccc(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NCCC(C)C)cc1OC 222886565 IZUBXLIRNMIAFD-GOSISDBHSA-N 444.547 3.965 0 40 IHAB COc1ccc(OCC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC2CCCC2)cc1 223867049 ACSHINUPQIKQRP-QGZVFWFLSA-N 428.504 3.689 0 40 IHAB CCOC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc2c(c1)OCCO2 224841634 LFGWVYGFXGPCBB-UHFFFAOYSA-N 446.308 3.523 0 40 IHAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc2c(c1)OCCO2 224844197 ANMHJCSPPSJFDS-KRWDZBQOSA-N 444.959 3.987 0 40 IHAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1cccc(Br)c1 225374600 JSWGWUCGXMIECD-KRWDZBQOSA-N 441.347 3.641 0 40 IHAB CC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)c1ccc(C)c(C)c1 225500728 UCVVTZFNZCEBMY-QHCPKHFHSA-N 444.597 3.980 0 40 IHAB CCCn1c(=O)sc2cc(S(=O)(=O)NCCCc3ccc(OCC)cc3)ccc21 225732740 WCLUCSIIKNERPJ-UHFFFAOYSA-N 434.583 3.783 0 40 IHAB COC(=O)c1ccccc1NC(=O)CCc1nc(-c2ccc(Br)cc2)no1 225819777 NPAFVYLZBUBUKZ-UHFFFAOYSA-N 430.258 3.857 0 40 IHAB CN(C(=O)c1cccc(F)c1)[C@H]1CC[C@@]2(CCO)C[C@H](c3ccccc3)C[C@](C)(O2)[C@@H]1O 257212036 CBQUGDRGUYDWBB-BKJGCJBKSA-N 441.543 3.895 0 40 IHAB CN(C)C(=O)C1(Cc2cccc(-c3cncnc3)c2)CCN(C(=O)Cc2ccccc2)CC1 257221737 DQHSHZMLDMMMCO-UHFFFAOYSA-N 442.563 3.626 0 40 IHAB COc1ccc(C(=O)N2CCC3(CC2)C[C@@H](Cc2ccccc2)N(CC(C)C)C3=O)cn1 257256149 KKGSYJGSGNXKPC-JOCHJYFZSA-N 435.568 3.812 0 40 IHAB CC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N(C)C(=O)Cc2ccc(F)cc2C)CC1 257278329 OBVLBNVBVZBQHH-DGWZTRNLSA-N 440.559 3.513 0 40 IHAB COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)NCc2cccnc2)c(OC)c1OC 408563111 IPXQKPRTJYJMBA-ACCUITESSA-N 447.491 3.689 0 40 IHAB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)CCCC1=O)c1ccc(F)cc1 408640094 AHHGPQKBKJINBK-UHFFFAOYSA-N 437.254 3.912 0 40 IHAB Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Br)cc2)cc1C 408661164 DPVWKEHWOYLOGR-UHFFFAOYSA-N 433.302 3.967 0 40 IHAB COC(=O)c1ccc(C)c(NC(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)c1 408704529 PBOFJFRNRLZBIY-UHFFFAOYSA-N 438.505 3.862 0 40 IHAB COc1cc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)cc(OC)c1OC 409054689 VNCGWXLTDREGJY-PDGQHHTCSA-N 433.457 3.967 0 40 IHAB CC(C)c1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2)cc1 409058813 LJMYQGFEORIDKY-CCFRHWNESA-O 430.503 3.965 0 40 IHAB CS(=O)(=O)N(CC(=O)Nc1ccc(Br)cc1)c1ccc(F)c(Cl)c1 409383951 QZWCNNRBLOILTJ-UHFFFAOYSA-N 435.702 3.646 0 40 IHAB CCc1c(C(=O)N2CCC[C@H](CNC(=O)c3ccco3)C2)cnn1-c1ccccc1Cl 514224959 JLPNSZAAQMOBRW-MRXNPFEDSA-N 440.931 3.963 0 40 IHAB CN1CCN(CCC(=O)N2CC3(CCOCC3)c3cc(-c4ccc(F)cc4)ccc32)CC1 585105920 ZCPDAZXMINCIMA-UHFFFAOYSA-N 437.559 3.525 0 40 IHAB Cc1cccc(Nc2cc(C[C@H]3CCCN(C(=O)/C=C/c4c(C)nn(C)c4C)C3)ncn2)n1 585291277 ANIDAKDBCNKOOY-CTDFXDFQSA-N 445.571 3.768 0 40 IHAB C[C@@]1(OC(=O)C2CC2)CCN(C(=O)C2CC2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CCCC1 604382209 KUYPBJQSMIDISI-AOJNWGRGSA-N 438.568 3.757 0 40 IHAB biogenic,in-vitro COCc1nn2c(-c3ccccc3)c(S(C)(=O)=O)nnc2c1-c1ccc(Cl)cc1 1548338250 RORINLSLHWOJQX-UHFFFAOYSA-N 428.901 3.662 0 40 IHAB O=C(c1cc(C2CC2)on1)N1CC[C@@]2(CCc3nc(-c4ccccc4)cc(=O)n3CC2)C1 1565556474 JUGVEABGBZXPQS-RUZDIDTESA-N 430.508 3.645 0 40 IHAB Cn1c2ccccc2c2cc(C=C(NC(=O)c3ccccc3)C(=O)N3CCOCC3)ccc21 2049243876 WOODERVCXQCPRD-UHFFFAOYSA-N 439.515 3.961 0 40 IHAB COc1cccc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c1OCC(=O)Nc1ccccc1 660542 XYFCRHGYVKDBRQ-HMMYKYKNSA-N 443.459 3.810 0 40 IHAB CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1cc(OC)ccc1OC 908372 COXHGGAEAWBMTM-UHFFFAOYSA-N 442.541 3.933 0 40 IHAB COc1ccc2cc([C@H](c3nnnn3C3CCCC3)N3CCc4ccccc43)c(=O)[nH]c2c1 1224830 PDIRMJHTRKKXSO-HSZRJFAPSA-N 442.523 3.790 0 40 IHAB NC12C3(Cl)[C@@]4(Cl)C5(Cl)C(Cl)(Cl)C(Cl)([C@@]1(Cl)[C@@]53Cl)[C@@]24Cl 1680135 KCRHNURXNCHJNT-VYAWAXJZSA-N 443.199 3.769 0 40 IHAB CCOC(=O)Cc1csc(NC(=O)/C=C/c2ccc(OC)c(Br)c2)n1 1904823 YYEJZNXSUGDBQO-FNORWQNLSA-N 425.304 3.672 0 40 IHAB Cc1ccc(S(=O)(=O)NCCCCCC(=O)Oc2ccc3ccc(=O)oc3c2)cc1 2346668 RNGNBLFXOVPAKJ-UHFFFAOYSA-N 429.494 3.546 0 40 IHAB O=C(COC(=O)CCCCCN1C(=O)c2ccccc2C1=O)Nc1cccc(Cl)c1 2613675 HGJONRZJOIHMLR-UHFFFAOYSA-N 428.872 3.678 0 40 IHAB O=C(COc1ccc2c(c1)OCO2)Nc1ccc(Br)cc1Br 2663289 VQCNHQCKEHMGOZ-UHFFFAOYSA-N 429.064 3.958 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCC(Cc3ccccc3)CC2)cc1 3170705 XUTQPDXSBGBOOT-HSZRJFAPSA-N 426.582 3.629 0 40 IHAB CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2nc3ccc(F)cc3s2)c1 3410156 ZZXOSCMOPBHOGQ-UHFFFAOYSA-N 448.545 3.538 0 40 IHAB CCC(C)(C)NC(=O)c1ccc2c(c1)N(CC(=O)NC1CCCCC1)C(=O)C(C)(C)O2 4965837 LFKYVVKWZWHAOT-UHFFFAOYSA-N 429.561 3.558 0 40 IHAB CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(N3CCN(C)CC3)cc2)c1 5946314 WGFPGDIUWMRJOL-UHFFFAOYSA-N 426.586 3.744 0 40 IHAB C[C@@H](C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)N1CCCCCC1 7378153 BTAZIMOYRQMMTR-INIZCTEOSA-N 427.998 3.718 0 40 IHAB COc1ccc(-c2cc(=O)oc3cc(O[C@@H](C)C(=O)NCc4cccnc4)ccc23)cc1 8792018 SZVUOLQBVMJPHP-INIZCTEOSA-N 430.460 3.947 0 40 IHAB biogenic COc1ccc(-c2nnc(SCC(=O)N(C)CC(=O)Nc3ccccc3Cl)o2)cc1 8988535 LIFRBWNJQFYJGK-UHFFFAOYSA-N 446.916 3.588 0 40 IHAB NC(=O)c1c(NC(=O)COC(=O)/C=C/c2cccc(C(F)(F)F)c2)sc2c1CCC2 9124787 BLUMECJRMJXFJP-BQYQJAHWSA-N 438.427 3.550 0 40 IHAB COc1ccc(NC(=O)[C@H]2CC(=O)N(CCc3c[nH]c4ccc(Cl)cc34)C2)c(OC)c1 9198955 QEYQJFIAVHVCQV-HNNXBMFYSA-N 441.915 3.868 0 40 IHAB CCn1c(CC(=O)Nc2ccc(C)cc2C)nnc1S[C@@H](C)C(=O)Nc1nccs1 9264083 PMLRZKPHVGJFMS-AWEZNQCLSA-N 444.586 3.672 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C)cc1 9382281 NVQXYVDZAAOPTK-UHFFFAOYSA-N 435.509 3.871 0 40 IHAB Cc1sc2nc([C@@H](C)OC(=O)CNC(=O)c3ccc(C(C)(C)C)cc3)[nH]c(=O)c2c1C 9389737 XWSBOGLQKHOVGB-CYBMUJFWSA-N 441.553 3.933 0 40 IHAB CCS(=O)(=O)N(Cc1c(F)cccc1Cl)c1c(C)n(C)n(-c2ccccc2)c1=O 9426080 UHOPSFYAQCUGOZ-UHFFFAOYSA-N 437.924 3.633 0 40 IHAB O=C1CCc2cc(-c3csc(NC(=O)c4ccc5c(c4)NC(=O)CS5)n3)ccc2N1 9514466 UWRUVNFLKBDXNV-UHFFFAOYSA-N 436.518 3.991 0 40 IHAB CCOC(=O)c1sc(NC(=O)Cc2ccc(S(C)(=O)=O)cc2)nc1-c1ccccc1 9596916 HFPDUXMJZVSVTO-UHFFFAOYSA-N 444.534 3.572 0 40 IHAB CC(C)NC(=O)NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1 9632987 BTEAJPDRGNJBQV-UHFFFAOYSA-N 443.960 3.973 0 40 IHAB COc1ccc(C(=O)CN2C(=O)N[C@](C)(c3ccc(Cl)cc3Cl)C2=O)c(OC)c1 9666104 JVVUIYYWSKJOGV-HXUWFJFHSA-N 437.279 3.661 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)Cc2ccccc2)cc1 10013995 CNRXMTRKFBMXIE-UHFFFAOYSA-N 438.505 3.553 0 40 IHAB C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@@H](c2nc3ccc(F)cc3cc2C(N)=O)C1 12219693 AVEWNHAOVKSIOU-HUUCEWRRSA-N 439.462 3.785 0 40 IHAB O=C(N[C@@]1(C(F)(F)F)N=C(c2ccccc2)N(Cc2ccccc2)C1=O)c1ccco1 12376391 QHGANCFOFXAOAZ-NRFANRHFSA-N 427.382 3.757 0 40 IHAB COc1cc(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)ccc1N1CCCC1=O 12763255 UYOZMAFHBYPAQO-UHFFFAOYSA-N 446.507 3.511 0 40 IHAB CS(=O)(=O)c1cccc(NC(=O)CN2CCc3sccc3[C@@H]2c2ccccc2)c1 12929857 GPZOBYDGEWGJHC-QFIPXVFZSA-N 426.563 3.738 0 40 IHAB O=C(CSc1nnc(C2CCCCC2)o1)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 13398361 SBDMFNLBQNDDBF-QGZVFWFLSA-N 428.514 3.503 0 40 IHAB COc1ccc(C(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1Br 13483115 WQRSWQUEWIYYKQ-HNNXBMFYSA-N 446.297 3.545 0 40 IHAB CCOc1ccc2nc(NC(=O)CCC(=O)OCC(=O)c3cccc(OC)c3)sc2c1 13857238 SQMQBIVEWQVYDM-UHFFFAOYSA-N 442.493 3.848 0 40 IHAB Cc1cccc(C)c1OCC(=O)N1CCC[C@@H]1c1nc(N(C)C)ncc1-c1ccncc1 19236047 XZTXMHHIRQLTIJ-OAQYLSRUSA-N 431.540 3.964 0 40 IHAB CC(C)NC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)[C@H]2CCCCO2)C1 19448749 JZDBTRBRGKZLAN-SQHAQQRYSA-N 449.595 3.994 0 40 IHAB CCOc1ncc(C2(O)CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c(OCC)n1 19531725 IDMUQTJMINLRGJ-UHFFFAOYSA-N 425.451 3.776 0 40 IHAB CCOc1ccc(O[C@H](C)C(=O)N2CCC(c3cc(C(F)F)n4ncnc4n3)CC2)cc1 19533572 WQHAJCHBYCFEDH-CQSZACIVSA-N 445.470 3.634 0 40 IHAB CN(C)c1cc([C@@H](Cc2ccccc2)NC(=O)Cc2ccccn2)nc(-c2cccnc2)n1 19584344 SSUVIRWIGUQLMW-JOCHJYFZSA-N 438.535 3.642 0 40 IHAB CC(=O)N[C@H]1C[C@@H](c2cccc(NC(=O)c3cnn4c(C)cc(C)nc34)c2)O[C@@H](C(C)C)C1 19712221 RGMHAYHOYNTPKA-MZYLBHOOSA-N 449.555 3.979 0 40 IHAB Cc1ncsc1C(=O)N1CCO[C@@H](c2cc(C(=O)NCC(C)C)c3ccccc3n2)C1 19759781 GRNXIINMXPBSKR-HXUWFJFHSA-N 438.553 3.599 0 40 IHAB Cc1ncc(C(=O)NC2CC2)c([C@H]2CCCN2C(=O)C(C)(C)Oc2ccc(C)c(C)c2)n1 19766829 QXHAYKRZDQJSPF-OAQYLSRUSA-N 436.556 3.815 0 40 IHAB COc1ccc(CC(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccnc2)cc1OC 19819107 IKIHEXDATHLESH-UHFFFAOYSA-N 431.492 3.873 0 40 IHAB Cc1cccc(CCCNC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3)C2)c1 19866655 YZWCPTGGWQUWDC-NRFANRHFSA-N 449.016 3.939 0 40 IHAB CCN(CCO)c1ncnc2c1sc1nc(N3CCCC3)c3c(c12)CC(C)(C)OC3 20390535 HPDQPTLWRPEFPT-UHFFFAOYSA-N 427.574 3.510 0 40 IHAB COC(=O)c1ccccc1NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(F)c(F)c1F 20723368 KDYMEOQJWUJJFT-LJQANCHMSA-N 430.386 3.793 0 40 IHAB O=C1CCN(c2ccccc2C(=O)N2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)C(=O)N1 20778126 HJMUNUGLXZUMEW-INIZCTEOSA-N 439.899 3.521 0 40 IHAB CCOc1ccc(C2=N/C(=C/c3cc(OC)c4c(c3)OCCO4)C(=O)O2)cc1OCC 22751665 QJRAJCTXZUOMTK-MHWRWJLKSA-N 425.437 3.608 0 40 IHAB COc1ccccc1[C@H](c1nnnn1CCc1ccccc1)N1CCN(C2CCCC2)CC1 22929928 NNSGPIQMVXEMJN-RUZDIDTESA-N 446.599 3.574 0 40 IHAB CCOc1ccc(C(=O)NC(=S)Nc2nc3ccc(N4CCOCC4)cc3s2)cc1 32127903 SPZPBHROZPEGEF-UHFFFAOYSA-N 442.566 3.658 0 40 IHAB O=C(CN1CCN(C(=O)c2csc(-c3ccsc3)n2)CC1)Nc1ccccc1Cl 32768727 MNJLIYOJJCFDOU-UHFFFAOYSA-N 446.985 3.922 0 40 IHAB Cc1cccc([C@H](CC(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2Cl)NC(N)=O)c1 32796550 KDKJWIOCOXCRQA-VQTJNVASSA-N 445.947 3.947 0 40 IHAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3cccc(/C=C/c4ccccn4)c3)C2=O)cc1 32976407 SMHSUPNBBNKCDL-LECAJKHHSA-N 440.503 3.966 0 40 IHAB CN(c1ccccc1C(=O)Nc1ccc(N2CCCC2=O)cc1)S(=O)(=O)c1ccccc1 44842642 JRPAVCNGAJIWEO-UHFFFAOYSA-N 449.532 3.891 0 40 IHAB CC[C@H](NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1)c1ccccc1 44901017 PZVXFGGUASCHCB-REWPJTCUSA-N 436.533 3.910 0 40 IHAB CC(C)[C@@H](CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cnn(C)c1)N(C)C 48309434 RSTMJSFSHLABPE-GOSISDBHSA-N 433.405 3.504 0 40 IHAB CCOc1ccc(-n2c(=O)c3sccc3n(Cc3nc(-c4ccccc4)no3)c2=O)cc1 48986393 SDOZXZFDQNRWQA-UHFFFAOYSA-N 446.488 3.711 0 40 IHAB Cc1ccc2c(=O)c(C(=O)N3CCC(C)CC3)cn(CC(=O)Nc3c(C)cccc3C)c2n1 49002238 NMAFILFRTRUMLS-UHFFFAOYSA-N 446.551 3.833 0 40 IHAB O=C(CSc1ccc(-c2nc(-c3ccccc3)no2)cn1)NCc1ccc2c(c1)OCO2 49405628 QTEKBLLMFRDELN-UHFFFAOYSA-N 446.488 3.936 0 40 IHAB Cc1ccc(Cn2c(=O)c3sccc3n(CC(=O)Nc3ccc(F)cc3)c2=O)cc1C 57426986 ZDOCLAMVBXXSCI-UHFFFAOYSA-N 437.496 3.668 0 40 IHAB CCOc1ncc([C@]2(O)CC[C@@H]3CN(Cc4cccc(OC(C)C)c4)C[C@@H]32)c(OCC)n1 57773891 GDZNPJKSHQYXBX-RZTXVSJASA-N 441.572 3.791 0 40 IHAB CCOc1cc([C@H]2C(C(=O)OC)=C(c3ccc(Cl)cc3)Nc3ncnn32)ccc1OC 59227872 CZJKCFSKRGLNCA-FQEVSTJZSA-N 440.887 3.938 0 40 IHAB CCN(CC)c1ccc(NC(=O)Cn2c(-c3ccccc3)nc(C)c(CCO)c2=O)c(C)c1 67300433 BMWLDUZQCUCFOU-UHFFFAOYSA-N 448.567 3.547 0 40 IHAB COc1ccccc1CNC(=O)c1cnc([C@@H]2CCCN2C(=O)c2ccc(F)cc2)nc1C 72346281 DVOWRQBHTQOJST-NRFANRHFSA-N 448.498 3.840 0 40 IHAB COc1ccc(-c2ccc(=O)n(CC3(O)C[C@@H]4CC[C@H](C3)N4Cc3cccs3)n2)cc1 72394323 GKXCBISZZQVZJW-QRQCMCJISA-N 437.565 3.539 0 40 IHAB CCOc1ccc(CCC(=O)N2CCC([C@@H]3C[C@H](C(F)F)n4ncnc4N3)CC2)cc1 72395659 HWAGQNCZPRYXAP-RBUKOAKNSA-N 433.503 3.539 0 40 IHAB O=C(CCS(=O)(=O)c1ccccc1)N[C@@H]1CCC[C@@H](OC(=O)Nc2ccccc2)C1 77200209 ADMDZWIYLYWXLJ-RTBURBONSA-N 430.526 3.527 0 40 IHAB O=C(c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)N1CCOc2cccc(F)c21 79104306 YIACPSFCEIMHEU-UHFFFAOYSA-N 438.908 3.693 0 40 IHAB CCC(=O)N1CCCC[C@@H]1c1cc2nc3c(c(O)n2n1)CN(Cc1cccs1)CC3 100233810 CCALBUSVVTWLNO-LJQANCHMSA-N 425.558 3.518 0 40 IHAB Cc1cc(C)cc(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1 102086873 ASTRUYYSBFGSSS-BXWIXXPZSA-N 440.543 3.906 0 40 IHAB O=C1[C@H]2[C@H](C(=O)N1c1ccccc1Br)N1CCCN1[C@H]2c1ccc(Cl)cc1 102682968 QJCURQTXLXBLPY-FGTMMUONSA-N 446.732 3.638 0 40 IHAB CCC[C@@H](C)NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1cc(C)ccc1OC 107583400 BHKJRSZIWMFVME-QGZVFWFLSA-N 434.558 3.512 0 40 IHAB CC[C@@H]1CCCCN1c1nc(=O)c2c([nH]1)NC(=O)C[C@H]2C(=O)Nc1cc(Cl)ccc1C 139118995 PIXGVSSCVNFDEZ-HUUCEWRRSA-N 443.935 3.565 0 40 IHAB CC[C@H](NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCC(C)CC2)c1)c1ccccc1 216461228 MCDMWFRAHBKAOR-NRFANRHFSA-N 430.570 3.997 0 40 IHAB 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CC[C@H](C)[C@@H]1NC(=O)C2(CCCCOCCCNC1=O)CCN(Cc1ccccc1)CC2 643581627 MLEKSYBBJYSOJQ-GMAHTHKFSA-N 443.632 3.507 0 40 IHAB Cc1cc2n(n1)C1(CCN(C(=O)Nc3ccc(F)cc3)CC1)CC(=O)N2Cc1ccncc1 1772596508 NSHBBPGDMCWZLA-UHFFFAOYSA-N 448.502 3.686 0 40 IHAB O=C(CC1(COc2ccccc2)CCN(C(=O)c2cncs2)CC1)N1CCCCC1 2037905497 QNDXZUSOZRVOSA-UHFFFAOYSA-N 427.570 3.847 0 40 IHAB CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)COc2ccc(OC)cc2)cc1 702256 XISOCZAHLQJLEH-GOSISDBHSA-N 432.542 3.666 0 40 IHAB CCC(=O)NC(=S)Nc1ccc(NC(=O)c2ccc(OC)c(Br)c2)cc1 1265623 YDCFVPYUZAAXAM-UHFFFAOYSA-N 436.331 3.933 0 40 IHAB Fc1ccc(Cn2nnnc2[C@H](c2cccs2)N2CCN(C3CCCCC3)CC2)cc1 1328008 BCZOUNIDJGNHQT-QFIPXVFZSA-N 440.592 3.962 0 40 IHAB COc1ccc2c(c1)c([C@H](O)CN1CCC3(CC1)OCCO3)c(C)n2Cc1ccccc1 2438183 DTKFWHIMNBUWEN-XMMPIXPASA-N 436.552 3.879 0 40 IHAB COC(=O)c1ccc(COC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc1 2617202 RWFLPHWMKDSKNO-UHFFFAOYSA-N 439.489 3.655 0 40 IHAB COc1ccc(NC(=O)c2ccc(Cl)nc2)cc1NS(=O)(=O)c1ccc(F)cc1 2621540 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14235224 CPFJPEPWSQPBBJ-UHFFFAOYSA-N 431.964 3.722 0 40 IHAB CCCNS(=O)(=O)c1cc(C(=O)NC(c2ccccc2)c2ccccc2)ccc1OC 14291976 QYLJYRHOBRTKFU-UHFFFAOYSA-N 438.549 3.903 0 40 IHAB O=C(CCn1cnc2ccccc2c1=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl 14683020 ZNYDVLWFPHYFMS-UHFFFAOYSA-N 442.306 3.977 0 40 IHAB COC(=O)c1ccccc1NC(=O)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O 15883358 OYTUGGIXKMMOBD-UHFFFAOYSA-N 431.423 3.623 0 40 IHAB C[C@H]1CCc2c(sc(NC(=O)CN3CCOCC3)c2C(=O)Nc2ccccc2F)C1 15946897 RDFUJFZQJJXFDF-AWEZNQCLSA-N 431.533 3.535 0 40 IHAB C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)o1 16234070 OYXLBXBTMWZMHT-REQWGJQJSA-N 427.932 3.853 0 40 IHAB Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)[nH]c2SCC(=O)N2CCCC2)cc1 16847768 XCJCBKDBAOZDEC-UHFFFAOYSA-N 441.578 3.932 0 40 IHAB CCn1c(COc2ccc(F)cc2F)nnc1SCC(=O)Nc1ccc(OC)cc1 17098787 ADCBMEJXOLEZNU-UHFFFAOYSA-N 434.468 3.895 0 40 IHAB CCc1nnc2sc(-c3ccc(CNC(=S)NC(=O)c4ccc(C)cc4)cc3)nn12 17100573 LQMMVYXTVYWXKO-UHFFFAOYSA-N 436.566 3.528 0 40 IHAB CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)[C@H]2CCCO2)C1 19449211 GPFYJVKPAXVADK-HYBUGGRVSA-N 426.582 3.880 0 40 IHAB CCOC(=O)[C@@]1(Cc2cc(-c3cccc(C)c3)no2)CCCN(C(=O)[C@@H]2CCCO2)C1 19529902 BQVHLZUDNSJLSD-XUZZJYLKSA-N 426.513 3.543 0 40 IHAB COc1ccc(-c2noc([C@@H]3[C@H]4CC[C@H](C4)N3S(=O)(=O)c3ccccc3)n2)cc1OC 19561594 PJIMSUVWZFDBET-NBQZKYEYSA-N 441.509 3.668 0 40 IHAB COc1ccc(F)cc1-c1ccccc1CC1(C(=O)N2CC[C@@H](CO)C2)CCOCC1 19561773 MFPMTRYNQFIVDC-GOSISDBHSA-N 427.516 3.681 0 40 IHAB Cc1cccc(CS(=O)(=O)N2CCC[C@H]2c2cc(C(F)(F)F)c3c(N)n[nH]c3n2)c1 19742382 SMSOPPZAAUWYCZ-HNNXBMFYSA-N 439.463 3.534 0 40 IHAB COc1ccc([C@H]2CCCN2C(=O)Cn2cc(NC(=O)Cc3ccccc3F)cn2)cc1 19749459 UTFOSLSKNSHUQS-JOCHJYFZSA-N 436.487 3.576 0 40 IHAB NC(=O)c1cc([C@@H]2CN(C(=O)C3(c4ccccc4F)CCCC3)CCO2)nc2ccccc12 19759537 ZQBLWHMOTPKNHD-QHCPKHFHSA-N 447.510 3.885 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCc1ccc(OC(C)C)cc1 20047325 MQXSVXRNMRVOOV-UHFFFAOYSA-N 446.569 3.587 0 40 IHAB COc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2ccc(F)cc2)cc1Cl 20068887 ZZGPAPHKRUNMKG-DLBZAZTESA-N 433.896 3.785 0 40 IHAB CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1 20452485 PLLSJLHHCBGSHE-IBGZPJMESA-N 440.525 3.690 0 40 IHAB O=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)C1=C(c2ccccc2)SCCO1 20738252 RKFYGOHYQOXFET-FQEVSTJZSA-N 444.984 3.962 0 40 IHAB Cc1cc(C(=O)COC(=O)c2ccccc2NCCO)c(C)n1CCc1cccs1 21989278 APLQNFKVAKEODY-UHFFFAOYSA-N 426.538 3.853 0 40 IHAB O=C(CSc1nnc(NCCc2cccs2)s1)N[C@H]1CCOc2ccccc21 22019960 KVHSVRRWYWNXFI-HNNXBMFYSA-N 432.596 3.986 0 40 IHAB COc1ccc(C(=O)NCCc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1C 22227207 OEAMVVSOHRHXNP-UHFFFAOYSA-N 430.570 3.587 0 40 IHAB CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)Nc1ccccc1C(F)(F)F 22252745 ITIZZKFMHNELDK-UHFFFAOYSA-N 446.447 3.761 0 40 IHAB CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Nc1ccc(NC(=O)CN2CCOCC2)cc1 22421290 SBKNQBVGMFPASY-RBUKOAKNSA-N 438.572 3.910 0 40 IHAB CC(C)(C)c1cc(NC(=O)Cc2cccc3ccccc23)n([C@H]2CCS(=O)(=O)C2)n1 22503508 RFVZWFZWGHQAEJ-SFHVURJKSA-N 425.554 3.875 0 40 IHAB O=C(NCCOc1ccc(Cl)cc1)c1cccc(NS(=O)(=O)c2ccccc2)c1 22655756 DJZKEBZSSUWAHS-UHFFFAOYSA-N 430.913 3.950 0 40 IHAB CC(C)c1ccc(-c2noc(CN3C(=O)N[C@@](C)(c4ccc5c(c4)OCO5)C3=O)n2)cc1 22715400 KBVHIGWGGHSSAL-QHCPKHFHSA-N 434.452 3.556 0 40 IHAB CCN(C(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1)C12CC3CC(CC(C3)C1)C2 22989157 LWMQOMWBCNMMKF-UHFFFAOYSA-N 431.023 3.839 0 40 IHAB COc1cc([C@H](c2sc3nc(C)nn3c2O)N2CCC[C@@H](C)C2)cc(OC)c1OC 23157950 LLIIRNMRYDHBER-SJKOYZFVSA-N 432.546 3.652 0 40 IHAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)N[C@@H](c2ccc3c(c2)CCCC3)c2cccs2)C1=O 24277794 PCEAAAHNZWMTKB-URXFXBBRSA-N 437.565 3.553 0 40 IHAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCCSc3ccc(C)cc3)CC2)cc1 24609206 KBHJXDIGFCHHCO-UHFFFAOYSA-N 446.638 3.754 0 40 IHAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)N[C@H](C)CCc3ccccc3)CC2)c1 24611893 TWXZFAGXVFGPEZ-HXUWFJFHSA-N 428.598 3.674 0 40 IHAB CC(C)(CNC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)N1CCc2ccccc2C1 25897831 MTTUMWRCNMOENN-UHFFFAOYSA-N 434.584 3.884 0 40 IHAB O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)N1CCn2c1nc1ccccc12 29376129 KRTQTFOBPMVGOP-UHFFFAOYSA-N 433.518 3.583 0 40 IHAB CC(=O)c1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)cc(C)cc3C)C2)c1 33685510 XEQXBHFZNARJCK-HXUWFJFHSA-N 428.554 3.854 0 40 IHAB CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N[C@H](c1ccccc1)[C@H](N)c1ccccc1)C(=O)C2 35567327 ITNLZZDQOMWQDT-VDEHWKIFSA-N 426.582 3.743 0 40 IHAB CCn1ccc([C@H](C)NC(=O)c2cc(C3CC3)nc3onc(-c4cnn(CC)c4C)c23)n1 36619086 ZEBGUSYGEUUDJD-ZDUSSCGKSA-N 433.516 3.999 0 40 IHAB COc1cccc(C(=O)CSc2nc3scc(-c4ccc(F)cc4)c3c(=O)n2N)c1 36646121 URFCQACGMMGRQW-UHFFFAOYSA-N 441.509 3.962 0 40 IHAB CCN(CC(=O)NC(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(F)cc1 39985924 IIPKIFWXOHKNKP-UHFFFAOYSA-N 426.513 3.742 0 40 IHAB Cc1cc(C)cc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4cccc(Cl)c4)[nH]c(=O)c32)c1 40399347 UBFZKUCGZLEFSU-MRXNPFEDSA-N 437.887 3.848 0 40 IHAB Cc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)N1CCC(C(=O)Nc2ccccn2)CC1 48333396 GQSJCVSPGZQGBR-UHFFFAOYSA-N 439.466 3.653 0 40 IHAB CCN(C(=O)Cn1c(=O)n(-c2cc(F)cc(F)c2)c(=O)c2sccc21)c1ccccc1 57428984 CGPMCBHKDSBQLH-UHFFFAOYSA-N 441.459 3.545 0 40 IHAB O=C(CCCNC(=O)OCc1ccccc1)N[C@H]1c2ccccc2CC[C@@H]1n1ccnc1 78975695 JCBBBJPSOBWUPY-UPVQGACJSA-N 432.524 3.935 0 40 IHAB Cc1nc(-c2ccccc2Cl)sc1CNC(=O)C[C@@H]1CSc2ncc(C)c(=O)n21 90593255 OYELRCJCFHWUFA-CYBMUJFWSA-N 446.985 3.990 0 40 IHAB O=C(N[C@@H]1CC(=O)N(CC(F)(F)F)C1)[C@H]1CCCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 95465236 WNJGZCJKPUKVNI-MCIONIFRSA-N 442.869 3.770 0 40 IHAB CN1[C@H]2CC[C@H]1CC(NC(=O)c1cc3nc(-c4ccccc4)cc(C(F)(F)F)n3n1)C2 102005030 HPUNQYQNIBZPNU-HOTGVXAUSA-N 429.446 3.770 0 40 IHAB CCn1c(SCC(=O)N[C@@H]2CCCC[C@H]2C)nnc1[C@H](C)NC(=O)c1cccc(C)c1 103143577 YOFUAKMQUDFWNX-ZIFCJYIRSA-N 443.617 3.884 0 40 IHAB Cc1ccc(OC[C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1 116016432 LYQGESIXIXQZEU-IBGZPJMESA-N 430.570 3.675 0 40 IHAB Cc1cccc(N(CCCC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)c1 219621219 JMRRGSOMNWOYKY-HXUWFJFHSA-N 430.570 3.960 0 40 IHAB CCOC(=O)c1cc(NC(=O)[C@H](C)N(c2cccc(C)c2)S(C)(=O)=O)ccc1Cl 220148542 IDUJUSJYAZPKSR-AWEZNQCLSA-N 438.933 3.618 0 40 IHAB CCOc1ccc(N([C@H](CC)C(=O)NCCCc2ccc(F)cc2)S(C)(=O)=O)cc1 220676328 PEZCZUUPCJCKAK-OAQYLSRUSA-N 436.549 3.518 0 40 IHAB CC[C@H](C(=O)n1cc(C(=O)OC)c2ccccc21)N(c1cccc(Cl)c1)S(C)(=O)=O 222612609 ZIQIGMCQRLSISJ-GOSISDBHSA-N 448.928 3.966 0 40 IHAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1C 222837632 SXUVBHQOVWMEKJ-DEOSSOPVSA-N 446.547 3.769 0 40 IHAB CCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1 223570797 WYHZTQLPSUCKFH-VWLOTQADSA-N 432.520 3.980 0 40 IHAB Cc1cccc(-c2noc(CN(C)S(=O)(=O)Cc3ccc(Br)cc3)n2)c1 223653284 GGGSLRLXOKAXDC-UHFFFAOYSA-N 436.331 3.769 0 40 IHAB CC[C@H](C(=O)NCCOc1cccc(C)c1C)N(c1cc(C)ccc1C)S(C)(=O)=O 223955348 DZZBNSKZDPCZFC-HXUWFJFHSA-N 432.586 3.660 0 40 IHAB Cc1cccc(CN(C(=O)CCc2ccc3c(c2)OCCO3)[C@@H](C)C(=O)NCC(C)C)c1 224171237 ZLMUSECJXYHOAC-FQEVSTJZSA-N 438.568 3.888 0 40 IHAB O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 224243989 BBCQKSFBZYLJHE-UHFFFAOYSA-N 442.566 3.773 0 40 IHAB CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(C)c1 225560616 DVKUDOHQGWDAIV-GOTSBHOMSA-N 433.581 3.984 0 40 IHAB CC(C)CSc1nnc(NC(=O)COc2ccc(I)cc2)s1 225666784 LELDFJBFQPPIOC-UHFFFAOYSA-N 449.339 3.908 0 40 IHAB C[C@H]1CCCN(c2cc(N3CCOCC3)nc(NC(=S)NC3CCCCCC3)n2)C1 226010105 GPIKKVZWKYKSTJ-KRWDZBQOSA-N 432.638 3.559 0 40 IHAB COc1ccc(C(C)(C)C(=O)N2CCC(c3cncc(Nc4ncccn4)n3)CC2)cc1 257214718 CNELJIHWQDVPBZ-UHFFFAOYSA-N 432.528 3.703 0 40 IHAB O=C(O)CN(Cc1ccc(F)cc1)C(=O)c1cccc2c1C(=O)N(Cc1ccccc1)C2 257255263 KGUUUBWYDGQFJE-UHFFFAOYSA-N 432.451 3.709 0 40 IHAB CCCc1cc(C(=O)N2CCN(CCC)C(=O)[C@@H]2Cc2ccc(-c3cccnc3)cc2)no1 257259742 KZTNAHGAOMJTLR-DEOSSOPVSA-N 446.551 3.995 0 40 IHAB CCOc1ccc(N([C@H](C)C(=O)N[C@@H](CC)c2ccc(OC)c(C)c2)S(C)(=O)=O)cc1 260790547 GPSFYSKEVZCMCG-UTKZUKDTSA-N 448.585 3.824 0 40 IHAB COc1ccc(N(CC(=O)Nc2ccccc2)S(=O)(=O)c2cc(C)ccc2OC)cc1 408586059 KTGIKAFIDSMGHR-UHFFFAOYSA-N 440.521 3.846 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)CN(c2ccc(CC)cc2)S(C)(=O)=O)cc1 408619880 OECNAXQEOQUOPN-UHFFFAOYSA-N 432.542 3.611 0 40 IHAB O=C1[C@@H]2[C@@H](C(=O)N1C[C@H]1CCCO1)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408649686 DRPRLNNGIYDTSZ-LLOZPUPGSA-N 428.315 3.759 0 40 IHAB Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@H]4C3=O)cc2)cc1 408664901 PSRISCZRLDSXFT-MAODMQOUSA-N 434.492 3.716 0 40 IHAB O=C(CN1C(=O)S/C(=C\c2ccc(Br)o2)C1=O)Nc1ccc(F)cc1 408866967 IPGAFLVEYHEMPX-GHXNOFRVSA-N 425.235 3.856 0 40 IHAB Cc1cccc(N(CC(=O)NCCSCc2c(F)cccc2Cl)S(C)(=O)=O)c1 409027473 DORFRSDOFFVVCQ-UHFFFAOYSA-N 444.981 3.603 0 40 IHAB O=C(c1ccsc1)N1CCO[C@]2(C1)C(=O)N(Cc1cccs1)C[C@@H]2c1ccccc1 585106851 JOKPIFALWWXHKC-OFNKIYASSA-N 438.574 3.847 0 40 IHAB Cc1cccc(Nc2cc(CC3CCN(C(=O)/C=C/c4c(C)nn(C)c4C)CC3)ncn2)n1 585292468 NDPOKQDYVSSSAD-CMDGGOBGSA-N 445.571 3.768 0 40 IHAB COc1ccc(NC(=O)c2cc(Br)c(O)c(Br)c2)c(OC)n1 677873278 WFGFELLCNYWSLQ-UHFFFAOYSA-N 432.068 3.582 0 40 IHAB Cc1ccc2[nH]nc(C(=O)N3CCO[C@@H](c4cc(Nc5ncc(C)s5)nc(C)n4)C3)c2c1 2037836268 WTYPVXWWBKDVIZ-GOSISDBHSA-N 449.540 3.692 0 40 IHAB Cc1cc(C)cc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)c1 810542 KCSIVNDGKSYZDO-UHFFFAOYSA-N 440.525 3.529 0 40 IHAB COc1ccc(Cl)cc1N1C[C@H](C(=O)OCC(=O)Nc2ccc(C)cc2C)CC1=O 1289838 YDKZBFXDGDUUJC-OAHLLOKOSA-N 430.888 3.500 0 40 IHAB CC(=O)Nc1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(C)cc2)cc1 2443081 XUOGPEVDNSIOMY-UHFFFAOYSA-N 432.509 3.813 0 40 IHAB O=C(c1ccc2ccccc2n1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 2657002 URRJGJXWEBJZBA-UHFFFAOYSA-N 431.517 3.535 0 40 IHAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)Oc2ccccc2C(=O)NCc2ccccc2)cc1 3341675 PDEJTUOQCLBXHK-QGZVFWFLSA-N 431.492 3.981 0 40 IHAB COc1ccc(CNC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)cc1OC 3485722 RHNVHKRUFWGLGN-UHFFFAOYSA-N 432.933 3.561 0 40 IHAB Cc1nc2c(ccc3nc(NC(=O)c4ccc(S(=O)(=O)N(C)C)cc4)sc32)s1 3959833 RXXFSWFKNAVPSA-UHFFFAOYSA-N 432.552 3.717 0 40 IHAB Cc1cccc(N2C[C@@H](C(=O)Nc3nnc(SCc4cccnc4)s3)CC2=O)c1 8824635 GPJCQYLUHWLIQN-HNNXBMFYSA-N 425.539 3.525 0 40 IHAB CC(C)c1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2[C@@H]2CCS(=O)(=O)C2)cc1 8917049 WNKOOTZLXXNYMW-DYESRHJHSA-N 437.517 3.649 0 40 IHAB O=C(CCSc1ccc(F)cc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 9285159 SAKMECASXFSNBM-UHFFFAOYSA-N 432.502 3.537 0 40 IHAB Cc1cc(C(=O)CSc2nnc(COc3ccc(Cl)cc3)o2)c(C)n1-c1nnc[nH]1 9336613 AWCPSXCKJJMLPW-UHFFFAOYSA-N 444.904 3.803 0 40 IHAB COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1 9540081 GSETXZBHMUVCIC-GOSISDBHSA-N 435.402 3.989 0 40 IHAB C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N[C@@H]2CCCc3ccccc32)C1=O 9602503 ZUMXEDNOIQXZHY-GJZUVCINSA-N 427.504 3.801 0 40 IHAB CCOC(=O)c1sc(-c2ccc(F)cc2)cc1NC(=O)COC(=O)c1ccccn1 9634779 SQRHEMKNYSZEPC-UHFFFAOYSA-N 428.441 3.921 0 40 IHAB Nc1nc(N)nc(CSc2nc(-c3ccc(Br)cc3)nc3ccccc23)n1 9646592 GDRFIHBDAXKBGO-UHFFFAOYSA-N 440.330 3.701 0 40 IHAB O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1ccc(OC[C@@H]2CCCO2)cc1 9671447 JLSHVZAYMKMYAP-IBGZPJMESA-N 439.537 3.943 0 40 IHAB Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccccc2Cl)cc1 10128249 MHICZSHPFZTYRY-JOCHJYFZSA-N 442.968 3.854 0 40 IHAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)C1=O 10216259 BEOBPJAKMHNDBA-PUAOIOHZSA-N 437.515 3.739 0 40 IHAB COC(=O)C1=C(C(=O)c2ccc(Cl)cc2)[C@H](c2ccc(C(C)C)cc2)n2nnnc2N1 10231948 XYLYHOBODXMPBN-IBGZPJMESA-N 437.887 3.775 0 40 IHAB O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(=O)c(OCc2ccc(F)cc2)co1 11856890 MBMASPLQENPFHD-UHFFFAOYSA-N 436.483 3.752 0 40 IHAB COc1ccc2[nH]cc(CCNC(=O)[C@@H]3CCCN(c4nc5ccccc5n4C)C3)c2c1 12116452 LOBINIGLGZMSOM-GOSISDBHSA-N 431.540 3.639 0 40 IHAB Brc1ccc(-c2nnc3n2N=C(c2ccc4c(c2)OCCO4)CS3)cc1 12374760 VPULZRLDWSXYOL-UHFFFAOYSA-N 429.299 3.837 0 40 IHAB CC(C)(C)OC(=O)N1CCN([C@H](C(=O)O)c2c[nH]c3cc(Br)ccc23)CC1 12409762 GSJHWSKIPKYSOE-INIZCTEOSA-N 438.322 3.609 0 40 IHAB CN(Cc1nc2ccccc2n1C(F)F)C(=O)CNC(=O)Cc1cccc2ccccc12 12535323 UYLRUQUXKOVWBK-UHFFFAOYSA-N 436.462 3.902 0 40 IHAB COCCN[C@H]1C[C@@H](c2ccccc2)N2[C@H](C(=O)OC)Cc3c([nH]c4ccccc34)[C@H]2C1 12603068 ZAHIGXYCXFKMQQ-ABQRKTDGSA-N 433.552 3.748 0 40 IHAB biogenic,in-vitro COc1cc(Br)c(S(=O)(=O)N[C@H]2CCSc3ccccc32)cc1OC 12799317 OMZSYHCXUBRWFX-ZDUSSCGKSA-N 444.372 3.982 0 40 IHAB CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C[C@H](O)COc1ccc(CC)cc1 12883982 JVEMXVMIDQKCAX-SFHVURJKSA-N 429.948 3.791 0 40 IHAB CCOC(=O)c1sc2nc(C)n(CC(=O)N[C@@H](C)c3cccc(Cl)c3)c(=O)c2c1C 13009658 SDTGUJQFVGFDAX-LBPRGKRZSA-N 447.944 3.782 0 40 IHAB CNS(=O)(=O)c1cc(C(=O)N[C@H](c2ccccc2)c2ccc(C)c(C)c2)ccc1OC 13015102 IYSSIFNFBRGCKJ-HSZRJFAPSA-N 438.549 3.740 0 40 IHAB O=C(CCCc1c[nH]c2ccccc12)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1 13037768 PXPVTGQTQBIJGN-IBGZPJMESA-N 444.535 3.935 0 40 IHAB CC[C@H](C(=O)N1CCC(Cc2ccccc2)CC1)N(c1ccc(F)cc1)S(C)(=O)=O 13715501 VBSYRHQCFVTAFV-JOCHJYFZSA-N 432.561 3.852 0 40 IHAB COc1cc(C(C)=O)ccc1OCC(=O)Nc1cccc(I)c1 15305086 QWZFPIYUAUUZDU-UHFFFAOYSA-N 425.222 3.520 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc2c(c1)OCCCO2 15618910 DXACDYLAZKYDBW-UHFFFAOYSA-N 430.526 3.583 0 40 IHAB Cc1ccc(Cl)cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 15796494 ZLAFPHHCDADHOJ-UHFFFAOYSA-N 429.325 3.575 0 40 IHAB CC(C)OCCCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccccc2)C1=O 16042575 AXJBIEODLJXQSU-RCZVLFRGSA-N 431.536 3.668 0 40 IHAB biogenic C[C@@H](NC(=O)CCC(=O)c1ccc(Br)cc1)c1ccc(S(C)(=O)=O)cc1 16108745 BUDDYFGUDOLLTH-CYBMUJFWSA-N 438.343 3.693 0 40 IHAB Cc1ccc(OCc2nc(CC(=O)OCc3cc(=O)n4cc(C)ccc4n3)cs2)cc1 16167312 DYVQAORKGIVHTB-UHFFFAOYSA-N 435.505 3.633 0 40 IHAB CC1CCN(S(=O)(=O)c2ccc(NC(=S)Nc3cccc([C@H](C)O)c3)cc2)CC1 17098611 ZWNITZYSIVPGNY-INIZCTEOSA-N 433.599 3.969 0 40 IHAB COc1cc(OC)c(N2C[C@@H](C(=O)NCCc3c[nH]c4ccccc34)CC2=O)cc1Cl 17295399 KGXWSOPIAGETEE-HNNXBMFYSA-N 441.915 3.550 0 40 IHAB O=C(NC1CC1)[C@H](Sc1nnc(CN2CCCC2)n1-c1ccccc1)c1ccccc1 17718309 NISJYUMLDOJTPR-JOCHJYFZSA-N 433.581 3.975 0 40 IHAB Cc1cc(-c2cnc(NC(C)C)nc2C2CCN(C(=O)c3n[nH]c4c3CCCC4)CC2)on1 19122963 XSARHMOSUJMKHE-UHFFFAOYSA-N 449.559 3.882 0 40 IHAB Cc1ccsc1CN1CCc2nc([C@@H]3CCCN3C(=O)CC3CCCC3)[nH]c(=O)c2C1 19238677 DSKMGXOLGQEFCO-FQEVSTJZSA-N 440.613 3.942 0 40 IHAB NC(=O)[C@@]1(Cc2ccc(-c3ccccc3F)cc2)CCCN(C(=O)Cc2cccnc2)C1 19368367 PAHYINRUJGYXEA-AREMUKBSSA-N 431.511 3.767 0 40 IHAB CCNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)c2cccnc2)C1 19528675 CMTNHTPJBYZSKG-SANMLTNESA-N 428.536 3.745 0 40 IHAB CSCC[C@H](NC(=O)c1c(C)oc2c1CCCC2)c1cc(=O)[nH]c(-c2cccnc2)n1 19581331 DGGXMAKZNCFKSS-KRWDZBQOSA-N 438.553 3.836 0 40 IHAB CNC(=O)c1ccc(-c2ccc(C3CCN(C(=O)Cc4ccc(F)cc4)CC3)nc2)cn1 19688998 AQXBYLWDPAZPIY-UHFFFAOYSA-N 432.499 3.591 0 40 IHAB CC(C)N1CCC(C(=O)N2CCC[C@H](c3ccc(-c4cccc(C(N)=O)c4)cn3)C2)CC1 19689146 OVKHQQMZXKREDJ-QHCPKHFHSA-N 434.584 3.674 0 40 IHAB CNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCN(C(=O)Cc2c[nH]c3ccccc23)C1 19695995 QFEBNONOWLSGRO-SANMLTNESA-N 442.519 3.573 0 40 IHAB CNc1cc([C@H]2CC(=O)N(C)C2)nc(C2CCN(C(=O)c3cc4cc(C)ccc4o3)CC2)n1 19697316 QBTYLDXCLLVKER-SFHVURJKSA-N 447.539 3.538 0 40 IHAB COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3C)C2)cc1Cl 19857994 SGYOMQANTITDJJ-INIZCTEOSA-N 436.961 3.838 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(F)ccc2F)C1 20017450 LPOSGAJCJWFXOQ-GFCCVEGCSA-N 444.887 3.666 0 40 IHAB COc1ccc(NC(=O)COC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 21763124 ZPCPXIGYEXQMFR-UHFFFAOYSA-N 437.418 3.507 0 40 IHAB CC(=O)Nc1ccc2c(c1)C(=O)N(CN(C(=O)c1ccccc1)c1cccc(F)c1)C2=O 22002653 GDEKPVKJPJGHQD-UHFFFAOYSA-N 431.423 3.685 0 40 IHAB CCOc1cccc(N(CC(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)S(C)(=O)=O)c1 22426640 NKZXOTBELKYJQZ-FQEVSTJZSA-N 446.569 3.578 0 40 IHAB C[C@@H](NC(=O)COC(=O)COc1ccc2c(c1)CCC(=O)N2)c1cccc2ccccc12 22520543 DORIPQSESDFUCG-MRXNPFEDSA-N 432.476 3.524 0 40 IHAB O=C(CCN1CCN(Cc2cccs2)CC1)Nc1ccc(Br)cc1F 22932094 SPWTWAOFXWCHAZ-UHFFFAOYSA-N 426.355 3.796 0 40 IHAB Cc1nc(COc2ccccc2C(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)no1 23073685 OLFHFDOAMMOGNV-UHFFFAOYSA-N 434.374 3.501 0 40 IHAB O=C(CSc1nc2ccccc2s1)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 23156391 MFFMVQMIUHZYBO-SFHVURJKSA-N 431.558 3.717 0 40 IHAB CCNC(=O)[C@H](C)OC(=O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1 24107486 DLIODOSVICVPCO-AWEZNQCLSA-N 431.945 3.898 0 40 IHAB CCOCCCNC(=O)c1c(NC(=O)[C@H]2COc3ccccc3O2)sc2c1CCCC2 27663495 SEMXQLUANSRNGD-GOSISDBHSA-N 444.553 3.562 0 40 IHAB COc1ccccc1Nc1nc(N)nc(CSCc2nc(-c3ccccc3C)no2)n1 31423321 OVXRIWASXFMVAP-UHFFFAOYSA-N 435.513 3.998 0 40 IHAB CC(C)CCNC(=O)CSc1nc(CN2CCOCC2)nc2sc3c(c12)CCCC3 32670219 GQBZJAPUHDJIKS-UHFFFAOYSA-N 448.658 3.657 0 40 IHAB Cn1ccnc1[C@H](NC(=O)C1CCN(C(=O)c2cccs2)CC1)c1ccc(Cl)cc1 32772775 YVUHCDCSERSEEO-LJQANCHMSA-N 442.972 3.893 0 40 IHAB O=C(NCc1ccc(N2CCCC2=O)cc1)[C@@H]1CCCC[C@H]1C(=O)N1CCc2ccccc21 32781143 NMWXMXUOWWLVQB-DHIUTWEWSA-N 445.563 3.825 0 40 IHAB O=C(c1cc(-c2ccncc2)nc2ccccc12)N1CCN(Cc2cn3ccccc3n2)CC1 32836123 KVZXXRZHWNLNIR-UHFFFAOYSA-N 448.530 3.903 0 40 IHAB CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)N(C)Cc1ccc(SC)cc1 32966514 XSWHJSXIRAWQPM-HXUWFJFHSA-N 432.611 3.684 0 40 IHAB CC(C)n1cnc2nc(COc3ccccc3NC(=O)c3ccc(Cl)cc3)cc(=O)n21 41077148 UGXIOHHOQCDSPF-UHFFFAOYSA-N 437.887 3.957 0 40 IHAB COc1ccc(-c2noc(-c3ccc(=O)n(Cc4cc(F)cc(F)c4)c3)n2)cc1OC 49007454 VIWRUBPBOWBPGS-UHFFFAOYSA-N 425.391 3.909 0 40 IHAB COc1ccc(C(=O)NC[C@H](c2ccco2)N2CCN(c3ccccc3)CC2)cc1OC 56945365 CGAXCVOIPSEPOL-OAQYLSRUSA-N 435.524 3.590 0 40 IHAB COc1ccccc1Cn1c(SCC(=O)Nc2cc(C)on2)nc2ccsc2c1=O 57425572 OWBAWTVDDLBKMV-UHFFFAOYSA-N 442.522 3.542 0 40 IHAB COc1ccc(S(=O)(=O)N2C[C@H](C(=O)Nc3ccccc3C)Oc3ccccc32)cc1 64986227 GDMRKYUHYABUQW-JOCHJYFZSA-N 438.505 3.599 0 40 IHAB Cc1c(C(=O)NCC(F)(F)F)nnn1-c1cccc2c1CCN(Cc1cccc(F)c1)C2 69656279 WAVVXVSYYPEHOG-UHFFFAOYSA-N 447.436 3.565 0 40 IHAB CCOc1ccccc1C(=O)N1CCN(C)C(=O)[C@H]1Cc1cccc(-c2cccnc2)c1 72351732 TUHMKLLONPNMAZ-HSZRJFAPSA-N 429.520 3.673 0 40 IHAB COCCOc1cccc(CN2CCC([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)CC2)c1 72395705 BGGFHBRFYOXXPO-RBUKOAKNSA-N 439.482 3.503 0 40 IHAB O=C(c1cc2ccccc2o1)N1CCC(CNS(=O)(=O)Cc2cc(F)cc(F)c2)CC1 77200913 NNRFMSSRIXDDJS-UHFFFAOYSA-N 448.491 3.683 0 40 IHAB COc1cccc2cc(C(=O)N3CCC[C@@H](c4nnc(-c5ccsc5)o4)C3)c(=O)oc12 96119085 OWZWVWSRAVVNAR-CQSZACIVSA-N 437.477 3.933 0 40 IHAB C[C@@H]1C[C@@H](C)CN([C@H](C)C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)C1 102253922 DKTDSSVMVIQESN-BRWVUGGUSA-N 442.025 3.820 0 40 IHAB CCOC(=O)c1cccc(NC(=O)CCCN(c2cccc(C)c2)S(C)(=O)=O)c1C 219620344 VWLUJGCWNJBEOB-UHFFFAOYSA-N 432.542 3.665 0 40 IHAB CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccc(F)cc1 223080382 VNCDRSJPEKWNOD-CQSZACIVSA-N 437.309 3.520 0 40 IHAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(OC)c(OC)c1 223187055 IFUQRTNMXLESEG-IBGZPJMESA-N 432.948 3.843 0 40 IHAB COc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN(C)C)cc1 223237875 LUSACEARKGVBFH-GOTSBHOMSA-N 435.597 3.805 0 40 IHAB CSc1cccc(N(CC(=O)NCCOc2cccc3ccccc23)S(C)(=O)=O)c1 223561157 JJVWFKSFFAKJIX-UHFFFAOYSA-N 444.578 3.523 0 40 IHAB CC1(C)CCc2cc(S(=O)(=O)NCc3nc(-c4cccc(Cl)c4)no3)ccc2O1 223603478 ACURNACYIOEGNU-UHFFFAOYSA-N 433.917 3.972 0 40 IHAB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(F)cc1 223731560 BHRLTMSYQMETJB-YADHBBJMSA-N 438.528 3.937 0 40 IHAB CC[C@H](C(=O)NCc1cccc(CN2CCCCC2)c1)N(c1ccccc1)S(C)(=O)=O 224677182 YWAKGQFBFBZSJF-HSZRJFAPSA-N 443.613 3.534 0 40 IHAB COCc1cccc(NC(=O)CCc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)c1 225187420 SJAOKSQUDYAQII-UHFFFAOYSA-N 446.569 3.588 0 40 IHAB CC[C@]1(C)c2sc(=O)[nH]c2S[C@H]2[C@H]3C[C@@H]([C@@H]4C(=O)N(c5ccc(F)cc5)C(=O)[C@H]34)[C@@H]21 238900202 HYDGNKXEKCMXEV-UUTKZHAESA-N 444.553 3.789 0 40 IHAB COc1ccc(-c2cc(C)nc([C@H]3CCCN(S(=O)(=O)c4c(C)n[nH]c4C)C3)c2)cc1 257252903 JWPJGNKADYJJSR-IBGZPJMESA-N 440.569 3.974 0 40 IHAB Cc1cccc(-c2ccccc2C[C@@H]2C(=O)NCCN2C(=O)CCCn2nc(C)cc2C)c1 257310077 UDPFNASTDWMWBF-RUZDIDTESA-N 444.579 3.825 0 40 IHAB Cc1cc(C)nc(Nc2ccc([C@H]3CN(C(=O)CCCc4ccccn4)CCO3)nc2)n1 257322517 WGHGHXQCTQYGSU-JOCHJYFZSA-N 432.528 3.550 0 40 IHAB COc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(C)ccc3C)C2)cc1 260822815 AUPQYEFIDVZDOR-QUCCMNQESA-N 430.570 3.590 0 40 IHAB COc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)c1 408662770 XXIZGKKFDBVHST-LBPRGKRZSA-N 437.279 3.537 0 40 IHAB Cc1cccc(C)c1NC(=O)COC(=O)c1ccc(N2C(=O)[C@@H]3CC=C[C@@H](C)[C@H]3C2=O)cc1 408668665 VJHFYPOUNAVPBX-RBQRDFNRSA-N 446.503 3.801 0 40 IHAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1S(=O)(=O)NC(C)C 408700172 BNKLDZQOOACXGS-UHFFFAOYSA-N 426.922 3.686 0 40 IHAB CCOc1ccc(S(=O)(=O)Nc2ccc3sc(C(=O)N4CCOCC4)cc3c2)cc1 408713397 WRQXSFFSQUGCIV-UHFFFAOYSA-N 446.550 3.573 0 40 IHAB COc1cc(C(=S)N2C[C@@H](C)O[C@H](C)C2)ccc1OCC(=O)Nc1ccc(C)cc1 409236786 HNPQUGAPJWRFDB-IAGOWNOFSA-N 428.554 3.806 0 40 IHAB CCc1ccccc1N1C(=O)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)C1=O 409299968 WKDXIXKNGFMCFS-VXKWHMMOSA-N 443.455 3.573 0 40 IHAB CC1(C)CC(=O)c2cc(NC(=O)[C@H]3CCCN(C(=O)c4ccc5n[nH]cc5c4)C3)ccc2O1 561037285 BGIOKCGUNCBEJD-INIZCTEOSA-N 446.507 3.798 0 40 IHAB CC(C)n1cnc([C@H]2CN(C(=O)c3cccc(F)c3)C[C@]23CCCN(CC2CC2)C3=O)c1 585106565 BIWNEEJZKOZMRZ-PXDATVDWSA-N 438.547 3.862 0 40 IHAB CCCc1cc(C(=O)N2CCN(C(C)C)CCCN(C(C)=O)c3cc(F)ccc3C2)no1 643557988 DHHBBESZDQHVES-UHFFFAOYSA-N 444.551 3.876 0 40 IHAB CCOC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@]12C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O 1547208465 FPDXMWHJGOCDQJ-HVSZCSHGSA-N 436.633 3.927 0 40 IHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 795302 FJATYXIIJZBJBT-UHFFFAOYSA-N 446.916 3.727 0 40 IHAB CCOC(=O)c1cnc(SCC(=O)N2c3ccccc3CCc3ccccc32)nc1N 903398 OJISCHJKKJMKIB-UHFFFAOYSA-N 434.521 3.791 0 40 IHAB CCOC(=O)C1=NN(c2ccccc2)C2=NC(C)=C(C(=O)OC)[C@@H](c3ccc(C)cc3)N12 2181277 NIFUNNWDNTYYMG-HXUWFJFHSA-N 432.480 3.552 0 40 IHAB CCOC(=O)CNC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(Cl)cc1 2443418 YZOONKJVIJUCRT-UHFFFAOYSA-N 444.944 3.668 0 40 IHAB CCn1c(SCC(=O)NCCc2ccc(F)cc2)nc2sc3c(c2c1=O)CCCC3 2643512 PBESTRZLAACKOP-UHFFFAOYSA-N 445.585 3.947 0 40 IHAB CCOC(=O)c1c(NS(=O)(=O)c2ccc(NC(=O)OC)cc2)sc2c1CCCC2 3127929 CBUBFXNBDMVMOP-UHFFFAOYSA-N 438.527 3.783 0 40 IHAB COc1ccc(NC(=O)c2cc(F)c(F)c(F)c2F)c(S(=O)(=O)N2CCCCC2)c1 3288349 OLHWWGKDURIRSD-UHFFFAOYSA-N 446.422 3.679 0 40 IHAB O=C(Cc1ccccc1)Nc1ccccc1C(=O)OCC(=O)N1CCc2ccccc2C1 3410945 NISLMMVFPYNNQY-UHFFFAOYSA-N 428.488 3.610 0 40 IHAB Cc1ccccc1N1C(=O)c2ccc(C(=O)OCC(=O)N3[C@@H](C)CCC[C@@H]3C)cc2C1=O 3475618 OQJHUWATHGEELM-IRXDYDNUSA-N 434.492 3.742 0 40 IHAB Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)N3CCCCC3)cc2c1 6409292 AKITZGVZYRAHAY-JOCHJYFZSA-N 432.503 3.586 0 40 IHAB O=C(CN1C(=O)NC2(CCCCCC2)C1=O)N(CCc1ccccc1)Cc1cccs1 8879666 VXQGHQRTMLUYOU-UHFFFAOYSA-N 439.581 3.964 0 40 IHAB Cc1ccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(Cc3ccccc3C)c(=O)n2C)cc1C 9013209 QOUNNMWENSZQSZ-INIZCTEOSA-N 443.551 3.658 0 40 IHAB CCc1ccccc1NC(=O)Cc1nnc(SCC(=O)Nc2ccc(F)c(F)c2)n1C 9026463 WMFNJILRHZTKNM-UHFFFAOYSA-N 445.495 3.568 0 40 IHAB C[C@@H](NC(=O)CSc1nnc(-c2cccc(F)c2)n1N)c1ccc2c(c1)CCCC2 9056266 XFUCPRGRXSBKJA-CQSZACIVSA-N 425.533 3.646 0 40 IHAB O=C(C[C@@]1(O)C(=O)N(Cc2ccc(F)cc2)c2ccccc21)c1ccc2c(c1)OCCO2 9128804 VWIZDZVENXYUEH-VWLOTQADSA-N 433.435 3.604 0 40 IHAB COc1ccc(CCNC(=O)[C@@H]2CCc3sc(NC(=O)c4ccc(F)cc4)nc32)cc1 9131545 IESVLNKTSLGBTI-GOSISDBHSA-N 439.512 3.932 0 40 IHAB COc1ccc(OC)c([C@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)NCc2ccccc2)c1 9159749 KCWWJCGIVTXAJS-RZFJZAQRSA-N 438.568 3.688 0 40 IHAB Cc1c(CCC(=O)N[C@@H]2C=CS(=O)(=O)C2)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 9418925 FSAXGFIZGYXAEO-CQSZACIVSA-N 443.521 3.505 0 40 IHAB O=C(COc1ccc(Cl)cc1Cl)Nc1cccc(S(=O)(=O)N2CCCC2)c1 9508350 WXJQSJRHGMQCGL-UHFFFAOYSA-N 429.325 3.795 0 40 IHAB Cc1cccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(Cc3cccc(Cl)c3)c(=O)n2C)c1 9518987 LXVBKKILMGECGM-INIZCTEOSA-N 449.942 3.695 0 40 IHAB COc1ccccc1CN(C)C(=O)/C=C/c1ccc(S(=O)(=O)N2CCCCCC2)cc1 9583556 CNPGDQYZSKQSQM-DTQAZKPQSA-N 442.581 3.932 0 40 IHAB COc1ccc(-c2cc(C(=O)OCC(=O)N3C[C@@H](C)O[C@H](C)C3)c3ccccc3n2)cc1 9631320 AQSIBRHNUHZHTC-IAGOWNOFSA-N 434.492 3.703 0 40 IHAB COc1ccc(SCCCC(=O)Nc2nnc(Cc3ccc4c(c3)OCO4)o2)cc1 9702082 LREITTHEQUYAFI-UHFFFAOYSA-N 427.482 3.909 0 40 IHAB COc1cc(CNS(=O)(=O)Cc2ccc(Br)cc2)ccc1OC(C)C 10543768 WCCMDFNPULJMLU-UHFFFAOYSA-N 428.348 3.865 0 40 IHAB O=C(Nc1nc(CCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cs1)c1ccco1 11796785 YSXVQLYWIUAGHM-UHFFFAOYSA-N 444.944 3.923 0 40 IHAB CCN1CCN(c2ccc(NC(=O)CCCNC(=O)c3ccc(Cl)cc3)cc2)CC1 11947859 HVZKPVYZGTWZLM-UHFFFAOYSA-N 428.964 3.631 0 40 IHAB CCCOc1c(Cl)cc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc1OC 12256718 RCRDUCWXUVKATF-UHFFFAOYSA-N 438.933 3.930 0 40 IHAB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NCc1nccc2ccccc12 12558060 SLWKFNJNYZPJLX-UHFFFAOYSA-N 445.544 3.742 0 40 IHAB Cc1ccc(CN(C(=O)c2csnn2)[C@H](C(=O)NC2CCCC2)c2cccnc2)cc1 12872412 ZZVGVGFRTLELLD-NRFANRHFSA-N 435.553 3.684 0 40 IHAB COc1ccc(-c2csc(NC(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)n2)cc1OC 12972950 ZJZOHEMEAYQNMS-KRWDZBQOSA-N 437.521 3.815 0 40 IHAB COc1ccccc1-c1noc(COC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)n1 13006001 DMUKQHSGHNEXFF-UHFFFAOYSA-N 436.468 3.733 0 40 IHAB O=C(CSc1nnc(NC2CCCCC2)s1)OCC(=O)N1CCCc2ccccc21 13059170 VUPPAJSLFNUSKT-UHFFFAOYSA-N 446.598 3.897 0 40 IHAB O=C1OC(c2ccccc2Br)=N/C1=C\c1ccc(I)o1 13574935 SKWVYGIGLLZYLW-XFFZJAGNSA-N 444.022 3.991 0 40 IHAB COCc1nn2c3c(nnc2c1-c1ccccc1)C(=O)C[C@H](c1ccc(OC)c(OC)c1)C3 13639353 CTGRSTZXFSMFMV-QGZVFWFLSA-N 444.491 3.868 0 40 IHAB COc1ccc(NC(=O)CCCOc2ccccc2)cc1S(=O)(=O)N1CCCCC1 14076091 NFEGQQSKIFFNEH-UHFFFAOYSA-N 432.542 3.668 0 40 IHAB C[C@H](OC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1)C(=O)NC1CCCC1 14753587 UCTUZDRXYNTOJG-INIZCTEOSA-N 428.554 3.856 0 40 IHAB COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)COc2ccccc2C)cc1 15437607 NFCKFVZILITPAZ-UHFFFAOYSA-N 426.494 3.822 0 40 IHAB CCOc1cc(Cl)c(/C=C2\NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1OC 16688158 HNBHZAYGGBKTIL-MFOYZWKCSA-N 443.887 3.587 0 40 IHAB Cc1nc(O)cc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)Cn2nc(C(F)F)cc2C)n1 19119220 NSIDLURKMVCIDZ-QGZVFWFLSA-N 440.454 3.515 0 40 IHAB Cc1cc2cc(C(=O)N3CCC[C@H](c4cc(=O)[nH]c(C5CCN(C)CC5)n4)C3)ccc2o1 19126363 VSEPKKOQGZPHMP-IBGZPJMESA-N 434.540 3.654 0 40 IHAB COc1ccccc1CN1CCN([C@@H](CC(C)C)c2nnnn2Cc2cccs2)CC1 19446925 HWJWGPVXFJWHEX-NRFANRHFSA-N 440.617 3.697 0 40 IHAB CN(C)c1ncc(-c2cccc(F)c2)c([C@@H]2CN(C(=O)Cc3ccc(F)cc3)CCO2)n1 19692750 YGBOWAMQFITYPA-NRFANRHFSA-N 438.478 3.630 0 40 IHAB Cc1ncsc1C(=O)N1CCC(c2nc(C)c3c(n2)N(C2CCCC2)C(=O)CC3)CC1 19739478 DCJIBBCQGPAWBQ-UHFFFAOYSA-N 439.585 3.792 0 40 IHAB Cc1nc([C@@H]2CCCN(C(=O)CCCc3c[nH]c4ccccc34)C2)nc2c1CCC(=O)N2C 19741308 AQSAOJBFPMAKGQ-LJQANCHMSA-N 445.567 3.904 0 40 IHAB CC1CCN(C(=O)CN2CCC[C@@H](c3ccc4c(N)nc(-c5ccccc5)nc4n3)C2)CC1 19743322 XMCMBVIXMXCWKV-HXUWFJFHSA-N 444.583 3.712 0 40 IHAB Cc1nc([C@H]2CCCCN2Cc2ccc(Oc3ncccn3)cc2)ncc1C(=O)N(C)C 19764999 IFUHAORVWIJULQ-OAQYLSRUSA-N 432.528 3.796 0 40 IHAB Cc1ccc(C(=O)Nc2ccc(C)c(OCc3cc(=O)n4c(ncn4C(C)C)n3)c2)cc1 21797066 BMAATCWOGPHXDE-UHFFFAOYSA-N 431.496 3.920 0 40 IHAB CCOc1ccc(NC(=O)Cc2c(Cl)cccc2Cl)cc1S(=O)(=O)N(C)C 22383894 CEOUCCCTVKLISQ-UHFFFAOYSA-N 431.341 3.824 0 40 IHAB O=C(NCc1ccc(NC(=O)c2ccco2)cc1)c1ccc(CSc2ncn[nH]2)cc1 22384789 QNONOEBFUWGBQG-UHFFFAOYSA-N 433.493 3.872 0 40 IHAB COc1cccc(NC(=O)C[C@H]2C(=O)N(Cc3ccccn3)c3nc4ccccc4n32)c1 23382402 QPDAFCDHOGAEEB-NRFANRHFSA-N 427.464 3.557 0 40 IHAB CC(C)Oc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)cc1 24612967 MKHDJWOSPONLBL-UHFFFAOYSA-N 434.533 3.793 0 40 IHAB O=C(OCc1coc(-c2cccs2)n1)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O 24890086 JEJUSIPWGRMAOF-HNNXBMFYSA-N 438.461 3.535 0 40 IHAB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 27242361 AADRAPCDFBEHLE-KKSFZXQISA-N 443.494 3.597 0 40 IHAB CC(C)OCCCNC(=O)CCc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 28208827 SKQXYKBHBUOCQH-UHFFFAOYSA-N 444.597 3.692 0 40 IHAB O=C(c1cccc(CN2C(=O)CSC2=O)c1)N1CCC(c2nc3ccccc3[nH]2)CC1 29268932 AOGNBOYPDBHAGH-UHFFFAOYSA-N 434.521 3.778 0 40 IHAB COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OC)cc1OC 30713700 YWZDZOHVLOTWLN-YVLHZVERSA-N 446.912 3.505 0 40 IHAB C[C@H](NC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C)c1ccc(C(C)(C)C)cc1 30854917 DVTMJTLVXROULO-INIZCTEOSA-N 435.565 3.613 0 40 IHAB CCNC(=O)N[C@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NCc3cccs3)[C@H](O)[C@H]2[C@@H]1C 30884179 LZQHVUJJOZYPFY-HKOCDWSSSA-N 435.634 3.511 0 40 IHAB biogenic,in-vitro Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@H](c1ccccc1C(F)(F)F)SCC(=O)N2 31812022 WDTFLXNRSWSCJC-HNNXBMFYSA-N 445.430 3.641 0 40 IHAB CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc3c(c2)OCO3)cc1OC 32126398 WYSLKWUJODZUTA-UHFFFAOYSA-N 429.498 3.679 0 40 IHAB O=S1(=O)C[C@H]2N=C(SCc3cccc(Cl)c3)N(c3ccc(F)cc3F)[C@@H]2C1 32640967 WFEXRLQTKGMXNJ-NVXWUHKLSA-N 428.913 3.893 0 40 IHAB CCCCn1c(N)c(N(Cc2ccccc2)C(=O)[C@@H]2CCCc3ccccc32)c(=O)[nH]c1=O 32759936 CZZCVEPQGNXZID-OAQYLSRUSA-N 446.551 3.572 0 40 IHAB COc1ccc(-c2nc(Cn3nnc(C(=O)Nc4cccc(Cl)c4)c3N)c(C)o2)cc1 33291789 ITLPLQYEFPPJOT-UHFFFAOYSA-N 438.875 3.786 0 40 IHAB O=C(CSc1nnc(-c2ccccn2)n1Cc1ccccc1)NCCc1ccccc1 35289137 NGQAWORCUSQLJN-UHFFFAOYSA-N 429.549 3.839 0 40 IHAB O=C(CCCCCn1c(=S)[nH]c2ccccc2c1=O)Nc1cnn(C[C@@H]2CCCO2)c1 40139427 PTSCXDHKVXTJAD-KRWDZBQOSA-N 441.557 3.634 0 40 IHAB Cc1ccc(C(=O)Nc2cc(C)ccc2OCc2cc(=O)n3c(ncn3C(C)C)n2)cc1 41089798 MBTJPGXRZSCWTM-UHFFFAOYSA-N 431.496 3.920 0 40 IHAB COc1ccc(NC(=O)CN2CCC(c3nc(-c4cccc(C)c4)no3)CC2)cc1OC 49403207 OKAFTQGZSHLHCQ-UHFFFAOYSA-N 436.512 3.880 0 40 IHAB COc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccc4c(c3)OCO4)no2)cc1OC 57487033 QZAQXGMHGPQICP-UHFFFAOYSA-N 448.435 3.590 0 40 IHAB CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)N1CCN(c2cccc(Cl)c2)CC1 57670906 CJNCXPPEFXCMAS-NRFANRHFSA-N 426.952 3.657 0 40 IHAB Cc1ccc(C)c(N2CCN(C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@H](O)[C@@H]43)CC2)c1 59415231 LSGWJALQGUMIRM-QWJNTRFUSA-N 438.612 3.710 0 40 IHAB biogenic Cc1nc(S(=O)(=O)CC(=O)N[C@H]2CCCc3ccccc32)n(C2CCCCC2)c1C 65575353 WTTDBCFQJHHORB-NRFANRHFSA-N 429.586 3.973 0 40 IHAB Cc1cccc(Cc2cc(C)nc([C@H]3CCCN(C(=O)Cn4nc(C)ccc4=O)C3)c2)c1 72354135 OMOJUVSOBHRIRX-QHCPKHFHSA-N 430.552 3.561 0 40 IHAB CC(=O)N(c1nc(COc2cccc(F)c2I)cs1)C1CC1 89930394 YIXBXKRZDWVZDF-UHFFFAOYSA-N 432.258 3.981 0 40 IHAB CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)CCc2c(C)nn(CC(C)C)c2C)c1 95444843 MTGAZERGVWTLIG-KRWDZBQOSA-N 448.633 3.945 0 40 IHAB C[C@@H](NC(=O)C1CCN(C(=O)CCc2ccccc2)CC1)[C@H](O)c1ccc(Cl)cc1 95972134 BOPIVHZRDNIXGN-HXOBKFHXSA-N 428.960 3.750 0 40 IHAB CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H](C)c1nc(C)cs1 96013916 JCNOYVJNLKTYQD-WBMJQRKESA-N 426.007 3.876 0 40 IHAB O=C1[C@@H]2[C@@H](c3ccccc3)N3CCCN3[C@]2(c2ccccc2)C(=O)N1c1ccc(F)cc1 103014760 ORAGLOOZRWYGIC-ZEVJAHDQSA-N 427.479 3.888 0 40 IHAB COc1ccc(Br)cc1/C=C1\SC(=O)N(CC(=O)N2CCCCC2)C1=O 106763169 MLTLPTZOQQDFDF-GDNBJRDFSA-N 439.331 3.507 0 40 IHAB C[C@@](O)(CNC(=O)c1ccccc1S(=O)(=O)C(F)F)c1ccc(-c2ccccc2)cc1 206702471 VLYWYMAXKIMJQE-HSZRJFAPSA-N 445.487 3.987 0 40 IHAB CCc1ccccc1N(CC(=O)N[C@H](CC(C)C)c1ccc(OC)cc1)S(C)(=O)=O 216290370 JKHWRTLWRLOSNZ-OAQYLSRUSA-N 432.586 3.927 0 40 IHAB COc1ccc(S(=O)(=O)Nc2cc(C(=O)NCc3ccccc3OC)ccc2C)cc1 224058622 GOLZHRPWZADSKR-UHFFFAOYSA-N 440.521 3.743 0 40 IHAB Cc1ccc(OC[C@H](C)NC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)cc1C 224402527 FRFBGNQYBKOAOP-IBGZPJMESA-N 430.570 3.739 0 40 IHAB O=C(NCCCc1cccc2ccccc12)C1CCN(S(=O)(=O)c2ccccc2)CC1 225474513 AFNLEJORUWFKMM-UHFFFAOYSA-N 436.577 3.990 0 40 IHAB CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccc(C)cc1C 225495198 IGBBNJXCHVZFNG-INIZCTEOSA-N 433.346 3.608 0 40 IHAB COc1ccc(CC(=O)NC2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)cc1Cl 225726887 LLLWTDHXKLRUPA-UHFFFAOYSA-N 442.869 3.794 0 40 IHAB CC[C@H](C(=O)NCc1cccc(C(F)(F)F)c1)N(c1ccc(F)cc1)S(C)(=O)=O 225843795 DKKNDJCIZZHUKO-QGZVFWFLSA-N 432.439 3.706 0 40 IHAB Cc1nc([C@H]2CCCN(C(=O)CCc3ccccc3)C2)nc(C)c1CC(=O)N1CCCC1 257269864 MRRSUEXABCKFET-QFIPXVFZSA-N 434.584 3.597 0 40 IHAB Cc1cc(Nc2ccccn2)cc([C@H]2CN(C(=O)CCc3[nH]nc4c3CCCC4)CCO2)n1 257320023 VVAMMQPGQFINHO-HSZRJFAPSA-N 446.555 3.663 0 40 IHAB CCOC(=O)[C@@H](c1cccc(Nc2ccn[nH]2)n1)C1CCN(C(=O)OC(C)(C)C)CC1 257321203 WAOWQQZUDZFHOA-LJQANCHMSA-N 429.521 3.842 0 40 IHAB Cc1nc2cc([C@H]3CCN(Cc4ccccn4)C3)nn2c(C)c1CCC(=O)NC(C)(C)C 257327054 WZSDXGLUIQKFQZ-IBGZPJMESA-N 434.588 3.578 0 40 IHAB Cc1ncoc1C(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N(C)Cc2ccccc2)C1 257336281 YNTSCHKWDPAIHQ-GMAHTHKFSA-N 447.535 3.941 0 40 IHAB CC(C)(C)NC(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1Cl 408563716 WWDFSVRKNHFWOD-UHFFFAOYSA-N 436.961 3.775 0 40 IHAB COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)NC3CCCCCC3)cc2)c1 408590561 JTSUZBIFCRKFAS-UHFFFAOYSA-N 432.542 3.714 0 40 IHAB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)cc(OC)c1O 409154038 NIVIDZAPPBYCJP-VCHYOVAHSA-N 442.493 3.701 0 40 IHAB O=C1[C@@H]2C3c4ccccc4C(Br)(c4ccccc43)[C@H]2C(=O)N1C[C@H]1CCCO1 409197846 QACYZEKEIIYUII-WKGYJSJESA-N 438.321 3.564 0 40 IHAB CS(=O)(=O)N(CC(=O)Nc1ccc(Br)c(Cl)c1)c1ccccc1F 409265074 SECBZANZHXJFAC-UHFFFAOYSA-N 435.702 3.646 0 40 IHAB O=C(Nc1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 523541324 NKXDVVXAMODHCD-UHFFFAOYSA-N 430.423 3.884 0 40 IHAB CCCc1nc(N2CCc3ccccc3C2)ncc1C(=O)N(CC(=O)O)Cc1ccccc1 585267704 PQQWXIBCOMEBEZ-UHFFFAOYSA-N 444.535 3.719 0 40 IHAB O=C(c1ccccc1C(F)(F)F)N1CCC(Cn2nc(-c3ccncc3)ccc2=O)CC1 585502716 JFURMYYVSUGJKS-UHFFFAOYSA-N 442.441 3.877 0 40 IHAB COc1ccc(CN2CCC3(CC2)[C@H](C(=O)N(C)C)c2ccccc2C(=O)N3C(C)C)cc1 1549167829 RTHONIHKKSSCBH-DEOSSOPVSA-N 449.595 3.766 0 40 IHAB Cc1cc(S(=O)(=O)Nc2nnc3c4scc(C)c4ncn23)c(S)cc1Cl 1650671 RMRQBGAYOVPHPI-UHFFFAOYSA-N 425.948 3.699 0 40 IHAB O=C(COc1cccc2c1CCN(Cc1ccccc1)C2=O)Nc1ccc2c(c1)OCO2 2716350 NXCRXHKOFPPGPN-UHFFFAOYSA-N 430.460 3.631 0 40 IHAB C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NCc1ccc(Cl)cc1Cl)C2=O 3404464 ISZLALJRMDNLJN-YUNKPMOVSA-N 426.344 3.746 0 40 IHAB CCc1ccccc1Nc1nc(N)nc(CSc2nnc(-c3ccc4c(c3)OCO4)o2)n1 3445459 ISOPKRJDNBYMMP-UHFFFAOYSA-N 449.496 3.831 0 40 IHAB C[C@H](NC(=O)c1ccccc1NC(=O)Cn1cc(C(F)(F)F)ccc1=O)c1ccccc1 3451881 UORFAIUHCJEZGZ-HNNXBMFYSA-N 443.425 3.997 0 40 IHAB Cc1ccc(NC(=O)CSc2nnc(Cn3cnc4ccccc43)n2C)cc1Cl 6280515 FYZISZPZZNPWNP-UHFFFAOYSA-N 426.933 3.906 0 40 IHAB COc1ccccc1NC(=O)c1nc(S(=O)(=O)Cc2cccc(C)c2)ncc1Cl 8917453 WRJHMGKRXDPYPW-UHFFFAOYSA-N 431.901 3.673 0 40 IHAB O=C(CSc1nc2sc3c(c2c(=O)n1C[C@H]1CCCO1)CCCC3)N1CCCCC1 9256914 HILFLEFWLUSRFF-OAHLLOKOSA-N 447.626 3.620 0 40 IHAB CCOc1ccc([C@@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2C(=O)C(C)C)cc1 9378561 PISAFNRCYRUHPP-NRFANRHFSA-N 429.542 3.791 0 40 IHAB COc1ccccc1CNC(=O)COC(=O)c1c(C)nn(Cc2ccc(C)cc2)c1Cl 9461258 GWITURFRODZUER-UHFFFAOYSA-N 441.915 3.683 0 40 IHAB CCn1c(SCC(=O)c2cccc(OC)c2)nnc1[C@H](C)NC(=O)c1ccccc1F 9582717 VYXULNFLNJSJBY-AWEZNQCLSA-N 442.516 3.912 0 40 IHAB CCCCn1c(N)c(N(C)C(=S)Nc2ccc(Oc3ccccc3)cc2)c(=O)[nH]c1=O 9585813 SMPIQJUKLXNBQL-UHFFFAOYSA-N 439.541 3.544 0 40 IHAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCC(=O)c3ccc(F)cc3)cc2)C1 9587018 OMLKZIRMEGBRCL-HZPDHXFCSA-N 433.501 3.532 0 40 IHAB O=C1CN(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)c2ccccc2N1 9780532 OBHRWSJJHFQBSC-UHFFFAOYSA-N 444.520 3.839 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2nc(CC(=O)N3c4ccccc4C[C@@H]3C)cs2)cc1 9828578 VHCPSVAUYCRCBY-HNNXBMFYSA-N 427.551 3.773 0 40 IHAB COc1cc(C(=O)NC(=S)Nc2cc(Cl)c(O)c(Cl)c2)cc(OC)c1OC 10127989 YTVUFGSBZBFGMM-UHFFFAOYSA-N 431.297 3.852 0 40 IHAB CCCn1ccnc1S[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)N(CC)CC)c1 11234791 SKVPJCSOWLNNRV-INIZCTEOSA-N 438.619 3.751 0 40 IHAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCn2cccc2[C@@H]1c1ccc(Cl)cc1 12361403 LXUATKIUWBYTSI-NRFANRHFSA-N 430.913 3.707 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2sc3c(c2C(=O)N2CCOCC2)CCCC3)cc1C 12544788 XETQDJDRQVRDMF-UHFFFAOYSA-N 434.583 3.517 0 40 IHAB C[C@@H]1Cc2cc(C3=NN=C(Nc4ccc(Cl)cc4)SC3)ccc2N1S(C)(=O)=O 12797677 KQWHBKTVLJVVFI-GFCCVEGCSA-N 434.974 3.970 0 40 IHAB NC(=O)CCN(C(=O)CN1CCc2sccc2[C@H]1c1cccs1)c1ccccc1 12818536 LZXIZRJJFOTKSZ-QFIPXVFZSA-N 425.579 3.666 0 40 IHAB CNS(=O)(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 12821089 ONTXOIPSIPUSCP-LVMGUKCRSA-N 427.551 3.581 0 40 IHAB O=C(CN1C(=O)NC2(CCCCCC2)C1=O)c1ccc(OC(F)F)cc1OC(F)F 12920705 XZDHCOHFNFVHAX-UHFFFAOYSA-N 432.370 3.717 0 40 IHAB O=C(CCn1c(=O)oc2ccccc21)Nc1ccnn1Cc1cc(Br)cs1 13013001 FHVKQGOXSSYWOA-UHFFFAOYSA-N 447.314 3.692 0 40 IHAB Cc1ccccc1[C@H](C)NC(=O)COC(=O)c1ccccc1SCC(=O)NC(C)C 13038920 FKSBCNYXUWZNET-KRWDZBQOSA-N 428.554 3.646 0 40 IHAB CC(=O)Nc1cccc(NC(=O)[C@H]2CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)c1 13655991 HMZSGZQGLXOMFR-IBGZPJMESA-N 432.524 3.936 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)c(C)c1 13671964 OIDVXRAWYSEKLX-KRWDZBQOSA-N 432.542 3.582 0 40 IHAB CC[C@H](C(=O)Nc1ccccc1Br)N(c1ccc(F)cc1)S(C)(=O)=O 13715271 HBDVCOGFZXQMDC-MRXNPFEDSA-N 429.311 3.772 0 40 IHAB NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OCc1ccc(-c2ccccc2)cc1 14241929 IJPMSIXHCZVUCK-UHFFFAOYSA-N 436.533 3.816 0 40 IHAB Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)NCC(=O)Nc1ccc(F)c(F)c1F 14244145 JHWWICAUDQEWBT-UHFFFAOYSA-N 447.461 3.734 0 40 IHAB O=C(Nc1cc(Cl)ccc1Cl)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 14427193 SSFBIUCPIHIRFD-UHFFFAOYSA-N 449.743 3.920 0 40 IHAB O=C(CSc1nnc(-c2ccccc2)[nH]1)NC(C(=O)O)(c1ccccc1)c1ccccc1 15307545 CYZOFCINVTVXJD-UHFFFAOYSA-N 444.516 3.708 0 40 IHAB COc1ccccc1CNC(=O)C[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 15391044 YDIQHWQVGWDLFW-GOSISDBHSA-N 436.961 3.598 0 40 IHAB Cc1ccc2oc(C(=O)N(Cc3ccccc3Cl)[C@H]3CCS(=O)(=O)C3)cc(=O)c2c1 15831140 YNGMKMHCGSJCLY-INIZCTEOSA-N 445.924 3.584 0 40 IHAB CCCCOc1cccc(C(=O)N(Cc2cccc(OC)c2)[C@@H]2CCS(=O)(=O)C2)c1 16752818 UEOPAZRXPIIFIG-HXUWFJFHSA-N 431.554 3.704 0 40 IHAB O=S(=O)(NC[C@@H](c1ccco1)N1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1 17190440 CKEIVNRRGDFCOS-NRFANRHFSA-N 445.972 3.775 0 40 IHAB CCOc1ccccc1NC(=O)C(=O)NCCc1sc(-c2ccc(F)cc2)nc1C 17315940 VLPPVOFLWASZOT-UHFFFAOYSA-N 427.501 3.954 0 40 IHAB CC(=O)Nc1ccc(C(=O)N(C)C2CCC3(CC2)CN(C(C)=O)Cc2ccccc2O3)cc1 19022273 XCNCYEANUMTCDG-UHFFFAOYSA-N 449.551 3.840 0 40 IHAB COc1ccc(C)cc1C(=O)CCC(=O)N1CCC[C@@H](c2nc(-c3cccnc3)no2)C1 19131983 HRECZDNFGNOZKS-GOSISDBHSA-N 434.496 3.818 0 40 IHAB O=C(C[C@H]1NC(=O)c2ccccc21)N[C@H]1CCCc2c1cnn2Cc1ccc(Cl)cc1 19375059 DNGQZEUODYOZQS-LEWJYISDSA-N 434.927 3.953 0 40 IHAB CC1CCC(N2CCc3nc([C@@H]4CCCN(C(=O)c5cccnc5)C4)nc(O)c3C2)CC1 19495965 AFLFRPOTURDVCM-SKINQDTJSA-N 435.572 3.534 0 40 IHAB C[C@@H]1CCCCN1CCC(=O)NCc1ccc(-c2ccnc3nc(C(F)(F)F)nn23)cc1 19496369 ALNVTPUTLPULEU-OAHLLOKOSA-N 446.477 3.691 0 40 IHAB CNC(=O)[C@@]1(Cc2ccc(-c3ccccc3OC)cc2)CCN(C(=O)c2ccccn2)C1 19591610 DIFDGCVGBVCKDD-AREMUKBSSA-N 429.520 3.578 0 40 IHAB COc1cccc(CC(=O)N2CC[C@H](c3ccc4c(NCc5ccccn5)n[nH]c4n3)C2)c1 19704941 WMQNYCAWJRJUMU-SFHVURJKSA-N 442.523 3.532 0 40 IHAB CCc1nnc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3C)o2)s1 19929312 YVIREBYFWMYGDA-UHFFFAOYSA-N 425.923 3.755 0 40 IHAB Cc1cc(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)c(C)c1 19931464 YWSIQEFETPTZNN-UHFFFAOYSA-N 431.539 3.608 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccc(Cl)cc2)c(C)c1 20022691 NZILRDWIGNDFSK-INIZCTEOSA-N 438.977 3.935 0 40 IHAB CC(C)Cn1cnc2c1c(=O)n(Cc1cccc3cccnc13)c(=O)n2Cc1ccccc1 25832300 UCWTYCZGEBOLRJ-UHFFFAOYSA-N 439.519 3.661 0 40 IHAB COCCn1c(S[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)nc2cc(Cl)ccc21 27073020 YYHIBUDCTDDLOY-CYBMUJFWSA-N 444.944 3.802 0 40 IHAB C[C@H](C(=O)Nc1ccc(F)cc1F)N(C)Cc1ccc(C(=O)NCC(F)(F)F)cc1 27303239 PHUUXOIGXQDDLY-GFCCVEGCSA-N 429.389 3.716 0 40 IHAB CN(C)S(=O)(=O)c1cc(C(=O)NCC2(N3CCCCC3)CCCCC2)ccc1Cl 32960866 BQYFEWGBXIJVAP-UHFFFAOYSA-N 442.025 3.509 0 40 IHAB Cc1ccc(C)c(N(C(=O)c2csnn2)[C@H](C(=O)NC2CCCC2)c2ccccn2)c1 35311706 JAFKPOSZEBNRLC-NRFANRHFSA-N 435.553 3.997 0 40 IHAB COc1ccc([C@H](C)NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc1OC 38754848 HBMGGLOMWATYEB-INIZCTEOSA-N 442.537 3.500 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)N(c2ccccc2)S(C)(=O)=O)cc1Cl 38772953 ATTMQFCHWUMNPK-GOSISDBHSA-N 438.933 3.700 0 40 IHAB COc1cc(OC)c(C(=O)N(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)cc1OC 40135111 DYVMJMMOHNNFDX-UHFFFAOYSA-N 427.476 3.946 0 40 IHAB NC(=O)CN1CCCN(c2nc(/C=C/c3ccccc3)nc3sc4c(c23)CCCC4)CC1 40155537 SSIXZQGDCKVEJS-VAWYXSNFSA-N 447.608 3.738 0 40 IHAB Cc1ccc(Nc2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccc(C)cc2Cl)CC(=O)N3)cc1 40400533 GUTCKXYJKFUDCY-CQSZACIVSA-N 437.887 3.848 0 40 IHAB CC(C)Oc1ccc(CNC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 44846027 LTAFWQVPUDWZHB-UHFFFAOYSA-N 444.475 3.575 0 40 IHAB Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)NCCN(C(C)C)C(C)C 48287466 SCXZZRCRKQRRMB-UHFFFAOYSA-N 425.499 3.680 0 40 IHAB O=C(CCn1nc(-c2ccc(Br)cc2)ccc1=O)NCCCc1ccccc1 67261678 UBXZGEJTYGHLJA-UHFFFAOYSA-N 440.341 3.812 0 40 IHAB O=C(Cn1cc(OCc2cccc(Cl)c2)c(=O)cc1CO)Nc1ccc2[nH]ccc2c1 71284485 ZSHPHYGMNYUGMS-UHFFFAOYSA-N 437.883 3.693 0 40 IHAB CNC(=O)c1ccc(-c2cc(C)nc([C@@H]3CCCN(C(=O)Cc4ccc(F)cc4)C3)c2)cn1 72353639 XMHRCGTVWVIKKD-HXUWFJFHSA-N 446.526 3.899 0 40 IHAB CN1CCC(Nc2n[nH]c3nc([C@@H]4CCCN4C(=O)Cc4ccc(F)cc4)ccc23)CC1 72374523 GDADMPQISJLPDM-NRFANRHFSA-N 436.535 3.509 0 40 IHAB Cc1cc(C)n(CCCNC(=O)C2(Cc3cc(-c4ccccc4F)no3)CCOCC2)n1 72393546 AOKUKZNKFZFIDC-UHFFFAOYSA-N 440.519 3.840 0 40 IHAB Cn1c(-c2cccc(OC(=O)CCN3C(=O)c4ccccc4C3=O)c2)nc2cc(F)ccc21 84311190 SFNBBYIZHPHMTK-UHFFFAOYSA-N 443.434 3.971 0 40 IHAB Cc1cccc(NC(=O)N2CCC(C(=O)NCc3ccc(CN(C)C)c(F)c3)CC2)c1 89672813 MXCOPMGROWYBNX-UHFFFAOYSA-N 426.536 3.756 0 40 IHAB CN(C)c1cccc(C(=O)N2Cc3ccccc3C3(CCN(c4cnccn4)CC3)C2)c1 96242552 VBGCJTYKBVPGBS-UHFFFAOYSA-N 427.552 3.737 0 40 IHAB COc1cccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@H]4C[C@H](C)CC[C@H]4C3=O)cc2)c1 102081108 NTYHAIHECWWSLF-LPTQZCDUSA-N 435.476 3.661 0 40 IHAB C[C@H](Sc1nnc(N2CCCC2)n1Cc1ccco1)C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 106859628 XGGYIMPWPBHKIG-VKESLTNKSA-N 443.617 3.941 0 40 IHAB CC(=O)O[C@H]1C[C@H]2[C@@H]3C[C@@H](OC(C)=O)C[C@@]3(C)C[C@@H](OC(C)=O)[C@@H]2[C@@]2(C)CCC(=O)C[C@H]12 123379309 QWVDWZWSHZMUAY-DEISRZGXSA-N 448.556 3.613 0 40 IHAB CN(CCCC(=O)NCCSc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 219710606 XHZSOTPKJWLFRV-UHFFFAOYSA-N 426.991 3.649 0 40 IHAB COc1ccc2c(c1)[C@H](NC(=O)c1cccc(S(=O)(=O)N3CCCC3)c1)CC(C)(C)O2 219979180 CEWGTYJLXXKBFD-HXUWFJFHSA-N 444.553 3.512 0 40 IHAB CC[C@@H](NC(=O)[C@@H](C)N(c1ccc(OC)c(OC)c1)S(C)(=O)=O)c1ccc(C)cc1C 220242785 WCVUOJRMBONLCU-YLJYHZDGSA-N 448.585 3.743 0 40 IHAB COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1cc(Cl)ccc1SC 223440059 UVGRTDPCRAETGE-UHFFFAOYSA-N 431.919 3.667 0 40 IHAB CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc(OC)c(OC)c1 223880074 IWAXHLUYLDPBQG-KRWDZBQOSA-N 430.520 3.719 0 40 IHAB COC(=O)CN(c1ccc(OC2CCCC2)cc1)S(=O)(=O)c1ccc(OC)c(F)c1 225119426 ALGVEBNZEBQOCZ-UHFFFAOYSA-N 437.489 3.524 0 40 IHAB CCOC(=O)c1ccc(C)c(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1 225478167 PYOJPNPHAGSAID-UHFFFAOYSA-N 444.553 3.520 0 40 IHAB CCOC(=O)c1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)c1C 225520772 LESWHPRRDMBPOB-GOSISDBHSA-N 444.553 3.520 0 40 IHAB COc1cccc(OC)c1C(=O)N1CCO[C@@H](c2cccc(Nc3nc(C)cs3)n2)C1 257206334 BCXHPSAOMYZCPS-GOSISDBHSA-N 440.525 3.821 0 40 IHAB CN(CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C)[C@H]2Cc1ccccc1)Cc1cccnc1 257229362 FXUDAOOPSYXWTH-GAYSTUHSSA-N 432.612 3.598 0 40 IHAB CN(CCC(=O)N1CCO[C@H](c2cncc(-c3cccc(F)c3)n2)C1)c1cccc(F)c1 257252943 JWVUNPVDMXIANH-QHCPKHFHSA-N 438.478 3.848 0 40 IHAB Cc1cc(Nc2cc(CC3CCN(C(=O)c4cccc(Cl)c4F)CC3)nc(N)n2)[nH]n1 257260835 LEPQYESUMCFSHY-UHFFFAOYSA-N 443.914 3.721 0 40 IHAB CC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N(C)C(=O)c2nccc3ccccc23)CC1 257301546 RYXLDBYSFMUCTH-FKCDAAJZSA-N 445.563 3.684 0 40 IHAB COc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)cc(C)cc3C)C2)cc1 260619503 NDNQHKGFZAUADP-CTNGQTDRSA-N 444.597 3.899 0 40 IHAB CCOC(=O)COc1ccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)cc1 408584916 WNIFQWAPRABEBO-UHFFFAOYSA-N 425.506 3.696 0 40 IHAB CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1cccc(NC(C)=O)c1 408637506 LNCSVVQBDKGDGU-UHFFFAOYSA-N 425.514 3.663 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CSc2nnc(COc3ccc(OC)cc3)o2)cc1 408637709 NNTGKBWWFOZLDS-UHFFFAOYSA-N 443.481 3.565 0 40 IHAB C[C@H](NC(=O)COC(=O)CCC(=O)Nc1ccc(Br)cc1)c1ccccc1 408665074 SXRPYNOTIXNAOV-AWEZNQCLSA-N 433.302 3.588 0 40 IHAB CCOC(=O)C1CCN(C(=O)C(=O)c2c(-c3ccc(OC)cc3)cc3ccccn23)CC1 408675616 JRIIPMIYTYPQIN-UHFFFAOYSA-N 434.492 3.599 0 40 IHAB CCCCNC(=O)CSc1nc2ccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cc2s1 408992105 ZOVLBYFTFOXIIH-OYUDYFSCSA-N 441.578 3.616 0 40 IHAB CC(=O)NCCCOc1ccc(CN2CCC[C@@](O)(COc3ccccc3F)CC2)cc1 585281123 WJBHIVOMHHYCHX-VWLOTQADSA-N 444.547 3.527 0 40 IHAB Cc1cccnc1Nc1cc(C[C@H]2CCCN(C(=O)/C=C/c3c(C)nn(C)c3C)C2)ncn1 585293302 ZHCFWQYKQIJEMD-SQUSKLHYSA-N 445.571 3.768 0 40 IHAB C[C@@H]1Oc2ccc(C(=O)C3CCN(C(=O)N[C@H]4c5ccccc5C[C@H]4C)CC3)cc2NC1=O 600920510 UPQQELQUJKPHPQ-VBURHUQHSA-N 447.535 3.944 0 40 IHAB Cn1cc(CCNC(=O)c2ccc(Cl)c(N3CCCCS3(=O)=O)c2)c2ccccc21 604418946 UVLQCSQQLVVDBG-UHFFFAOYSA-N 445.972 3.734 0 40 IHAB O=C(Nc1cccc(Oc2ccccc2)n1)N[C@H]1CCc2ncc(Br)n2C1 1673706856 GGWPILMNZPQGHK-ZDUSSCGKSA-N 428.290 3.969 0 40 IHAB O=C1OCc2cc(Nc3nc4ccccc4nc3NS(=O)(=O)c3ccccc3)ccc21 2259787 TYPVGZFHAZUVFH-UHFFFAOYSA-N 432.461 3.845 0 40 IHAB O=C(O)CCC(=O)NCc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 2628647 OOGBMEHVNGEWCG-UHFFFAOYSA-N 428.286 3.783 0 40 IHAB COc1cc(Cl)c(C)cc1NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 2656715 BTTFVOVPRVUFOA-UHFFFAOYSA-N 438.933 3.702 0 40 IHAB Cc1cc2c(=O)n(NC(=O)[C@H](C)n3nc(C(F)(F)F)c(Cl)c3C)c(C)nc2s1 2778063 FXVZKJGOBPLLRL-QMMMGPOBSA-N 433.843 3.583 0 40 IHAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 3224122 MJMCYCRURMKAOI-XXBNENTESA-N 442.515 3.549 0 40 IHAB O=C(COC(=O)c1cc(Br)ccc1O)Nc1ccc(OC(F)(F)F)cc1 3233139 KOXYTBJIPQVGEF-UHFFFAOYSA-N 434.164 3.849 0 40 IHAB COC[C@H](C)n1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nc2ccccc2c1=O 3259531 GDKKEMQJTPUCNA-AWEZNQCLSA-N 425.510 3.537 0 40 IHAB C[C@H](Sc1nnc(Nc2ccccc2F)s1)C(=O)NCc1ccc2c(c1)OCO2 3357384 SPTXSBRNLOHYBL-NSHDSACASA-N 432.502 3.947 0 40 IHAB CCOc1cc(C(=O)Nc2ccc(S(=O)(=O)N(CC)CC)cc2)cc(Cl)c1O 3441048 WULYVDXEESDJKI-UHFFFAOYSA-N 426.922 3.727 0 40 IHAB Cc1sc2nc(SCCCC(=O)N3CCOCC3)n(-c3ccccc3)c(=O)c2c1C 3449745 QNMZGASSSPVKQL-UHFFFAOYSA-N 443.594 3.795 0 40 IHAB CCCOc1ccc(/C=C/C(=O)N(CCc2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 4749877 KIWMMVXCIURYLQ-FLSMSTFGSA-N 427.566 3.747 0 40 IHAB Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 5411141 LFBZXRHYVFESHI-SELNLUPBSA-N 426.582 3.615 0 40 IHAB O=C(O)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)cc1 6198749 NNZWJMTXZLOBAE-UHFFFAOYSA-N 436.917 3.855 0 40 IHAB aggregator CCc1cccc(N(C(=O)c2csnn2)[C@H](C(=O)NC2CCCC2)c2ccccn2)c1 6284345 XLYXBARCXOQFMJ-NRFANRHFSA-N 435.553 3.942 0 40 IHAB Cc1ccc2cc([C@@H](c3nnnn3Cc3ccccc3)N3CCC[C@H](C)C3)c(=O)[nH]c2c1 6409933 MBKRWMDBOTTZSD-MBSDFSHPSA-N 428.540 3.693 0 40 IHAB COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(C(F)(F)F)cc1 8591125 QOZYLRMIRGWGKN-KRWDZBQOSA-N 430.390 3.628 0 40 IHAB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2ccccc2N2CCCC2=O)c1 8901834 TUCGHPBTUBLPRW-UHFFFAOYSA-N 449.532 3.891 0 40 IHAB CN(Cc1ccccc1)C(=O)CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1 9054089 FQFNDQQYIKQVMU-QGZVFWFLSA-N 428.583 3.936 0 40 IHAB Cc1cc(C(=O)Cn2cnc3cc(F)ccc3c2=O)c(C)n1Cc1ccc2c(c1)OCO2 9416540 KICVYYWYDFFOHD-UHFFFAOYSA-N 433.439 3.614 0 40 IHAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)CS(=O)(=O)c2ccc(C)cc2)cc1 9426519 PLQBIMDXIWVBPK-UHFFFAOYSA-N 436.533 3.646 0 40 IHAB O=C(Cc1csc(-c2ccccn2)n1)Nc1cc2c(cc1Br)OCCO2 9442603 TYCPUHOMYUBZHQ-UHFFFAOYSA-N 432.299 3.920 0 40 IHAB CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)Cc3ccc(C)o3)cc2)cc1 9468014 VTHAAQJJLVJTEU-UHFFFAOYSA-N 426.494 3.864 0 40 IHAB O=c1[nH]c(CSc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)nc2ccsc12 9535952 QYEIUNRYPFWIGO-AWEZNQCLSA-N 443.529 3.854 0 40 IHAB CCc1ccc(NC(=O)C(=O)NCCc2csc3nc(-c4ccc(C)cc4)nn23)cc1 9568973 CHTCEJQDEKIJRU-UHFFFAOYSA-N 433.537 3.626 0 40 IHAB COc1ccc(OC)c(S(=O)(=O)NC[C@@H](c2cccs2)N2CCc3ccccc32)c1 9708258 LETHIHQHJSVABE-IBGZPJMESA-N 444.578 3.848 0 40 IHAB CC(=O)N1CCC(C(=O)NC[C@H](c2ccc(N(C)C)cc2)c2c[nH]c3ccccc23)CC1 9711945 VAZBSAHLIFYAOR-HSZRJFAPSA-N 432.568 3.741 0 40 IHAB C[C@@H](Sc1nc2ccccc2o1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 9792816 NGUBQOXKENYZFP-CQSZACIVSA-N 431.539 3.732 0 40 IHAB COc1cn(CC(=O)Nc2c(C)cc(C)cc2C)c(CSc2nccc(C)n2)cc1=O 9815272 ASYOTAGJYIJQBL-UHFFFAOYSA-N 438.553 3.812 0 40 IHAB CCOc1ccc(-c2ccc(=O)n(CCNC(=O)c3ccc(Br)cc3)n2)cc1 9844309 MMNNKRUINLEKBD-UHFFFAOYSA-N 442.313 3.502 0 40 IHAB COc1ccc([C@H]2N(C(=O)Nc3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1 9972166 LQWWXTBVPMVHDW-QFIPXVFZSA-N 437.521 3.932 0 40 IHAB Cc1cn2c3c(=O)n(CCC(C)C)c(=O)n(C)c3nc2n1-c1ccc(C(F)(F)F)cc1 10271856 IDBUKNJIQOKPIG-UHFFFAOYSA-N 433.434 3.512 0 40 IHAB COc1ccc(C(=O)N2CCN(c3cc(Oc4ccc(C)cc4)nc(C)n3)CC2)cc1OC 12223878 BIRQEZWEYKHIGG-UHFFFAOYSA-N 448.523 3.865 0 40 IHAB COc1cc(C(=O)N2CCC[C@@H]([C@H]3CC(=O)c4ccccc4O3)C2)cc(OC)c1OC 12327705 PHKVCCDZDCESJZ-FOIQADDNSA-N 425.481 3.599 0 40 IHAB Cc1ccc([C@@H](CNC(=O)c2ccc(NC(=O)c3cccs3)cc2)N2CCOCC2)o1 12623025 DTOIDPFBUZWQOT-LJQANCHMSA-N 439.537 3.705 0 40 IHAB Cc1ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1 12782878 JRDHZEQHJNKQSP-NQIIRXRSSA-N 439.556 3.858 0 40 IHAB O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)NCC12CC3CC(CC(C3)C1)C2 12793208 SKRYDBBWSBCEQQ-UHFFFAOYSA-N 436.643 3.798 0 40 IHAB CNS(=O)(=O)c1cc(NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)ccc1C 12895887 UAJZJVWAGVOBSO-UHFFFAOYSA-N 436.493 3.601 0 40 IHAB Cc1ccc(NC(=O)CN[C@H](c2ccccc2)c2cccs2)cc1S(=O)(=O)N(C)C 12978690 QFQJSPRBBHFOON-JOCHJYFZSA-N 443.594 3.625 0 40 IHAB Cc1ccc(-c2nc(C(=O)N3CCN(CC(=O)Nc4cccc(F)c4)CC3)cs2)cc1 13007782 DJDOEVWCTAXKLY-UHFFFAOYSA-N 438.528 3.654 0 40 IHAB O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(F)(F)F)[C@@H]1CC=CCC1 13029923 NKTDGLNFGJEYTE-CQSZACIVSA-N 432.464 3.707 0 40 IHAB Cc1cc(S(=O)(=O)N[C@H](CC(=O)O)c2ccc(Cl)cc2)ccc1Br 13349324 KXQHNZFVDWMWMI-OAHLLOKOSA-N 432.723 3.905 0 40 IHAB CCOC(=O)[C@@H]1CCCN(c2ccc(NCc3cc4cc(OC)ccc4[nH]c3=O)cc2)C1 13563100 QFUTVYJCFSXXBZ-QGZVFWFLSA-N 435.524 3.928 0 40 IHAB CCCCc1nnc(NC(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccc(F)cc34)C2)s1 13944951 VHRFQQFZRLWVAY-CQSZACIVSA-N 429.521 3.531 0 40 IHAB Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)oc2ccc(F)cc12 14160564 YXCURGUSPWSBEZ-UHFFFAOYSA-N 436.892 3.680 0 40 IHAB CC(=O)N[C@H](C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1)C(C)C 15705043 UQVHAUSXEQAKRN-IBGZPJMESA-N 437.949 3.548 0 40 IHAB O=C(CN(C(=O)c1csnn1)c1cccc(C(F)(F)F)c1)NCc1ccc(F)cc1 15935682 CDRQCEYMYNBPNN-UHFFFAOYSA-N 438.406 3.659 0 40 IHAB O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1cccc(F)c1 16399106 KAEHOVGHJNTQDU-UHFFFAOYSA-N 427.423 3.808 0 40 IHAB CCOc1cc(C(=O)OCC(=O)Nc2cccc3nsnc23)cc(OCC)c1OCC 19077672 SVRLVIWXCZTPCO-UHFFFAOYSA-N 445.497 3.683 0 40 IHAB O=C(c1cccs1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(CC1CCCCC1)CC2 19342674 GQLACPRGARQOAZ-LJQANCHMSA-N 426.586 3.747 0 40 IHAB CCOc1ncccc1C(=O)N1CCC[C@H]([C@@H]2C[C@H](C(F)(F)F)n3nc(C)cc3N2)C1 19531473 QAGADELTWCVKDV-BHYGNILZSA-N 437.466 3.825 0 40 IHAB COc1cc(CN2CCC(c3nnc(-c4scnc4C)o3)CC2)cc(OC)c1OC 19563176 IJYWCKMLEWAKSV-UHFFFAOYSA-N 430.530 3.907 0 40 IHAB CN(CCCN1CCCCC1)C(=O)c1cc(-c2ccccn2)c(N2CCOCC2)s1 19586086 CFANZTRSOGDQMQ-UHFFFAOYSA-N 428.602 3.595 0 40 IHAB CNC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2cc(OC)cc(OC)c2)C1 19591669 PQEDZIGWGWJKLR-MHZLTWQESA-N 445.563 3.947 0 40 IHAB COc1c(C)cccc1CN1CCO[C@H](c2c(C(=O)NCCO)sc3ccccc23)C1 19697581 DMVUMDSANNKXDE-IBGZPJMESA-N 440.565 3.514 0 40 IHAB O=S(=O)(Cc1ccccc1)N1CCC[C@H]1c1cc(CCOc2ccccc2F)[nH]n1 19703649 MQSRVTOOXPBAOH-NRFANRHFSA-N 429.517 3.837 0 40 IHAB CNc1nc([C@H]2CCCN2C)nc2c1CCN(C(=O)C(C)(C)Oc1cccc(C)c1C)C2 19707434 PNISREPJYVQDCJ-HXUWFJFHSA-N 437.588 3.644 0 40 IHAB Cc1ccc([C@@H]2CCCN2C(=O)c2cccn(CC(=O)NCc3ccccc3)c2=O)cc1C 19750029 BJLKXOVOFMIERT-DEOSSOPVSA-N 443.547 3.759 0 40 IHAB Cc1nc([C@@H]2CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)ncc1C(=O)N1CCCCC1 19763165 VAUINKDGMVVSGD-LJQANCHMSA-N 445.567 3.841 0 40 IHAB COc1ccc(OC)c(-n2ccc3c(nnc4c(-c5ccc(F)cc5)c(C)nn43)c2=O)c1 19962711 AGRGAECPHJVMNN-UHFFFAOYSA-N 431.427 3.560 0 40 IHAB CCCOc1ccc(N2C(=O)C[C@H](N3CCN(Cc4ccc(Cl)cc4)CC3)C2=O)cc1 20057626 HXFHNYJDUMJNIG-QFIPXVFZSA-N 441.959 3.579 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccc(F)c(F)c1 22249147 UYRVAIMYIXUPLK-UHFFFAOYSA-N 432.876 3.666 0 40 IHAB O=C(Nc1ccc(F)cc1F)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 24613555 BYMXWRBZGOQZOH-UHFFFAOYSA-N 446.878 3.938 0 40 IHAB CCCCn1c(N)c(N(CC)C(=O)c2sc3cccc(C)c3c2Cl)c(=O)[nH]c1=O 25046529 POMYJKKHCZRQCD-UHFFFAOYSA-N 434.949 3.762 0 40 IHAB COc1ccc(C(=O)C2CCN(C(=O)[C@H]3CCCN(C(=O)c4cccs4)C3)CC2)cc1 25917749 UXVHMBVLKGEPRH-IBGZPJMESA-N 440.565 3.730 0 40 IHAB Cc1ccc([C@@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CCCN2CCOCC2)cc1 32622250 VUUGVPXPTUOVTD-XMMPIXPASA-N 446.547 3.986 0 40 IHAB CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCCCOc1ccc(F)cc1 32910736 UKZFPFYXKXPSQE-LJQANCHMSA-N 443.924 3.794 0 40 IHAB Cc1cccc(CN2CCC(C(=O)Nc3ccccc3C(=O)NC[C@@H]3CCCO3)CC2)c1 39761382 QALDTJSCAYDJRZ-QFIPXVFZSA-N 435.568 3.755 0 40 IHAB O=C(c1cn(-c2ccccc2Br)nn1)n1cccc/c1=N\C1CCCCC1 40073960 HJXCSQFBENNNQT-ZBJSNUHESA-N 426.318 3.753 0 40 IHAB COc1ccc(-c2noc(-c3cccn3CC(=O)NCc3ccc(F)cc3)n2)cc1OC 57487214 RLWRYTJBHQTZQP-UHFFFAOYSA-N 436.443 3.678 0 40 IHAB Cc1cc(C)c2c(C)c(C(=O)N[C@H](C(N)=O)c3cccc(Br)c3)sc2n1 58750714 LJUMWTBXXJQNLY-HNNXBMFYSA-N 432.343 3.940 0 40 IHAB Cc1ncc(CN(C)C(=O)Nc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)s1 69521605 JCRPPQQUNHDLLT-UHFFFAOYSA-N 427.496 3.886 0 40 IHAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccc3[nH]c(-c4cccc(F)c4)nc3c1)C2=O 69980516 VHKNOSQZLCKARV-BSEYFRJRSA-N 449.486 3.808 0 40 IHAB Cc1cc(C(=O)N2C[C@@H]3[C@@H](CCC[C@]3(O)c3cccc(C(F)(F)F)c3)C2)c(=O)[nH]c1C 72340396 LXJUMJLZGJYJEE-LYLBAIIYSA-N 434.458 3.770 0 40 IHAB CCN1CCN(C(=O)CCc2cc(OC)no2)[C@H](Cc2ccc(-c3ccccc3)cc2)C1=O 72351397 JJQZFMCEVXWSSE-HSZRJFAPSA-N 447.535 3.585 0 40 IHAB CCCC(=O)N1CCc2nc(C3CCN(Cc4ccc(CCC)s4)CC3)[nH]c(=O)c2C1 72398997 IVKVTJGIGGLSHO-UHFFFAOYSA-N 442.629 3.848 0 40 IHAB CCC(=O)N1CCc2nc3cc([C@H]4CCCCN4Cc4sccc4C)nn3c(O)c2C1 100233984 OQFWLPVLTIQOCD-LJQANCHMSA-N 439.585 3.827 0 40 IHAB COc1ccc(CN2[C@H]3CC[C@H]2CC(NC(=O)c2cc(OC)c(OC)c(OC)c2)C3)cc1 100423560 RBTQOQLJMOZXDS-PMACEKPBSA-N 440.540 3.646 0 40 IHAB CCOc1ccc(N(CC(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)S(=O)(=O)c2ccc(C)cc2)cc1 100625659 LKKKXZITSOMFOR-DNVFCKCGSA-N 442.581 3.894 0 40 IHAB COc1ccc(Br)c(CN2N=N[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]32)c1 101168134 RMSJMRZAIHEIGJ-JKSUJKDBSA-N 449.692 3.605 0 40 IHAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)ccc1O 110219667 QCNWSZNTHGGHPO-CAOOACKPSA-N 434.420 3.744 0 40 IHAB O=C(N[C@@H]1C[C@@H]2CC[C@@H]1C2)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 113639291 SBIRLPHORIIKDG-ZXYWRSMDSA-N 445.412 3.840 0 40 IHAB COc1ccc2c(c1)[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl)CC(C)(C)O2 219284223 FCRZKQNULIKRSW-QGZVFWFLSA-N 438.933 3.752 0 40 IHAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCc1nc(-c2ccc(OC)cc2OC)no1 219381188 RRVBGGIKANVJMQ-SFHVURJKSA-N 425.485 3.844 0 40 IHAB CC[C@H](NC(=O)[C@@H](CC)N(c1ccc(OC)cc1)S(C)(=O)=O)c1ccc(OC)cc1 220658459 WYGQPLLWOYPSIO-LEWJYISDSA-N 434.558 3.516 0 40 IHAB CC[C@@H](C(=O)N[C@@H](C)c1ccc(F)cc1)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 220752610 SWKLBJYSAKSCHX-UGSOOPFHSA-N 442.940 3.910 0 40 IHAB CCOc1ccc(S(=O)(=O)NCCSc2nc(-c3ccccc3)n[nH]2)cc1Cl 223009429 UVYOSINEHRKZMX-UHFFFAOYSA-N 438.962 3.594 0 40 IHAB 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CCOC(=O)c1csc(N2N=C(/C=C/c3ccc(OC)cc3)C[C@]2(O)C(F)(F)F)n1 1415775 HRVVNVVFUDMUHY-UKTKYZJWSA-N 441.431 3.859 0 40 IHAB CC(C)C[C@H](C(=O)OCC(=O)Nc1ccccc1Cl)N1C(=O)c2ccccc2C1=O 1916993 POVHEEFITRQMCN-GOSISDBHSA-N 428.872 3.533 0 40 IHAB COc1ccccc1NS(=O)(=O)c1cc(-c2nn(C)c(=O)c3ccccc23)ccc1C 2231552 RIBRSRUCDXMYTK-UHFFFAOYSA-N 435.505 3.718 0 40 IHAB COc1ccc(-n2c(SCC(=O)N3CCCCC3)nc3c([nH]c4ccccc43)c2=O)cc1 2720756 UAKZUPSSROSQSA-UHFFFAOYSA-N 448.548 3.980 0 40 IHAB Cc1ccn([C@H](C)c2nnc(SCC(=O)Nc3ccc(Br)cc3F)o2)n1 2732844 YLAOBCXCBUZZEA-SNVBAGLBSA-N 440.298 3.816 0 40 IHAB COc1ccc(Cn2c(SCC(=O)Nc3cc(C)on3)nc3ccsc3c2=O)cc1 2909025 XYLMFDZAETUWFB-UHFFFAOYSA-N 442.522 3.542 0 40 IHAB O=C(COC(=O)c1cccc(I)c1)Nc1ccc(OC(F)F)cc1 3271862 CZUHXDKEWPQZQU-UHFFFAOYSA-N 447.175 3.688 0 40 IHAB C[C@@H]1CCc2c(sc3nc(COC(=O)CCC(=O)c4ccc(F)cc4)[nH]c(=O)c23)C1 3319839 XYPWGEDLIKWOJN-GFCCVEGCSA-N 428.485 3.955 0 40 IHAB Cc1ccc(CS(=O)(=O)NC(=O)N(Cc2ccc(Cl)cc2)c2cnccn2)cc1 4105078 ZXPDUUGCLCZTRA-UHFFFAOYSA-N 430.917 3.685 0 40 IHAB COC(=O)C1=C(C)N=c2s/c(=C/c3cccs3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 6237871 GKTLXYHFVCTQGI-YWFITGJYSA-N 438.574 3.593 0 40 IHAB O=C(N[C@H]1C[C@H]2C(=O)Nc3ccc(-c4ccc(Cl)cc4)cc3C(=O)N2C1)c1ccccc1 8299407 QVENKRCJGNSAFT-UGKGYDQZSA-N 445.906 3.972 0 40 IHAB biogenic,in-vitro CC[C@@H](C)N1C(=O)S/C(=C/c2cc(Br)ccc2OCC(=O)OC)C1=O 8400709 JWHPUQQRKMSYBX-WWNSAXIVSA-N 428.304 3.836 0 40 IHAB O=C(COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)NCC(=O)Nc1ccc(F)cc1 8709154 VDNZWLBRNHOQAN-UHFFFAOYSA-N 440.858 3.844 0 40 IHAB C[C@H](Oc1ccccc1C(=O)NCc1ccccc1)C(=O)Nc1ccc2c(c1)OCCO2 8757365 LPBZMSWRZHLHHI-KRWDZBQOSA-N 432.476 3.794 0 40 IHAB CCOc1ccc(N[C@H](C)C(=O)Nc2ccc(F)cc2)cc1S(=O)(=O)N1CCCCC1 9157449 AIUWNVASBYKBNO-MRXNPFEDSA-N 449.548 3.838 0 40 IHAB CC(=O)c1cccc(NC(=O)[C@@H](C)N(C)CC(=O)Nc2ccc(Br)cc2C)c1 9172591 VFCIJRXVSYNZJV-CQSZACIVSA-N 446.345 3.858 0 40 IHAB Cn1c(=O)n(Cc2cccc3ccccc23)c(=O)c2c1nc1n2CCCN1C1CCCCC1 9291969 IFHCCTPTLYEFLI-UHFFFAOYSA-N 443.551 3.641 0 40 IHAB COc1ccc(N2C[C@H](c3nc(-c4ccc(OC)c(OC)c4)no3)CC2=O)cc1Cl 9318489 GTHFJDDJKRZPII-CYBMUJFWSA-N 429.860 3.936 0 40 IHAB Nc1nc(COc2ccccc2C(=O)NCc2ccccc2)nc(Nc2ccccc2)n1 9336570 RMJZTGPBWCAMJV-UHFFFAOYSA-N 426.480 3.706 0 40 IHAB Cc1cc(C)c(NC(=O)CNC(=O)CN(C)Cc2ccc(Br)s2)c(C)c1 9468063 ZCBRGRUOUVKMQJ-UHFFFAOYSA-N 438.391 3.623 0 40 IHAB C[C@@H]1CCCC[C@@H]1NC(=O)CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1=O 9486135 PYGZMVITHVEOHU-WNYOCNMUSA-N 444.963 3.759 0 40 IHAB O=C(CSc1ccc2nnc(-c3cccnc3)n2n1)Nc1ccccc1C(F)(F)F 9599822 QPBIFQBCOGWBTB-UHFFFAOYSA-N 430.415 3.936 0 40 IHAB CC(C)OCCCNC(=O)c1cn(Cc2ccccc2)cc2c(=O)n(-c3ccccc3)nc1-2 9661620 ZISFZCGPCLUYDW-UHFFFAOYSA-N 444.535 3.732 0 40 IHAB CC(=O)N/C(=C\c1ccccc1)C(=O)OCC(=O)Nc1ccccc1C(=O)c1ccccc1 9670271 ROKZNMWNVPZPAQ-KQWNVCNZSA-N 442.471 3.577 0 40 IHAB C[C@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)N2CCC(Cc3ccccc3)CC2)C1=O 9780991 ZBXJOAKMPOHIFO-AREMUKBSSA-N 445.519 3.681 0 40 IHAB CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)C1=O 9790564 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COc1ccc(Cl)cc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2cc(C)ccc2C)C1 13566849 ICNIYYOILRQFNC-HNNXBMFYSA-N 430.888 3.500 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N2CCC(Cc3ccccc3)CC2)cc1 13633344 URNRVSJWALZICV-UHFFFAOYSA-N 444.597 3.577 0 40 IHAB COc1ccccc1NC(=O)Cn1cnc2c(oc3nc(C(C)C)c4c(c32)CCC4)c1=O 13729360 WNLBANBSSNGGSN-UHFFFAOYSA-N 432.480 3.797 0 40 IHAB C[C@H](O)CN(C[C@@H](C)O)c1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCC3 13778695 MAQSNTSHXVZYDY-GASCZTMLSA-N 434.565 3.963 0 40 IHAB CCOC(=O)c1c(NC(=O)CSc2nnc(-c3ccccn3)[nH]2)sc2c1CCCC2 14162122 CNMGUDLHPRURPY-UHFFFAOYSA-N 443.554 3.715 0 40 IHAB CCN(CC)C(=O)c1ccc(NC(=O)CSc2nnc(C)n2Cc2ccccc2)cc1 15516984 BCVIBLPMSNYAMA-UHFFFAOYSA-N 437.569 3.848 0 40 IHAB COc1ccc(/C=C2/N=C(c3cc(I)ccc3Cl)NC2=O)cc1 16215832 CEGPJNLDKMBSJY-OVCLIPMQSA-N 438.652 3.871 0 40 IHAB C[C@H](SC12CC3CC(CC(C3)C1)C2)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 18759528 NBHOSQHFOCXAKK-JLEDNIFVSA-N 448.654 3.610 0 40 IHAB Cc1ccc2oc(C(=O)N3CCC[C@@H]3c3nc4c(c(=O)[nH]3)CCN(C(C)C)C4)c(C)c2c1 19220394 OUWWXDZVPLXEGN-HXUWFJFHSA-N 434.540 3.877 0 40 IHAB COc1ccc(CC(=O)N[C@H](c2cc(O)n3nc(-c4ccccn4)cc3n2)C(C)C)cc1 19445432 YMPWYZDLLKDPEY-DEOSSOPVSA-N 431.496 3.562 0 40 IHAB CN(C)c1ncc(-c2ccc(N)nc2)c(C2CCN(CCOc3ccc(F)cc3)CC2)n1 19694870 DQRDSBYNQXKEST-UHFFFAOYSA-N 436.535 3.584 0 40 IHAB O=C(CN1CCCC1)N1CCC(c2ccc3c(NCc4ccccc4F)n[nH]c3n2)CC1 19745124 SBSHVZHSMKDKIR-UHFFFAOYSA-N 436.535 3.511 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(F)ccc3F)CC2)cc1Cl 20016663 CSIMKHGEDNMYSZ-UHFFFAOYSA-N 444.887 3.666 0 40 IHAB CCOc1ccccc1CNC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1C 20105222 MDPUVGCUWBPMGC-UHFFFAOYSA-N 430.570 3.888 0 40 IHAB COc1ccc([C@@H](c2nnnn2C2CCCC2)N2CCN(c3ccc(F)cc3)CC2)cc1 20121813 DYHLKKSVQKIBJJ-QHCPKHFHSA-N 436.535 3.848 0 40 IHAB COc1ccc(N(CC(=O)N[C@@H](c2ccccc2)c2ccccc2C)S(C)(=O)=O)cc1 20457021 PKIWSDJTHZPFPW-DEOSSOPVSA-N 438.549 3.675 0 40 IHAB CCOc1ccccc1OCCCC(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 21600677 WMEKLFBIOUIIAG-GOSISDBHSA-N 426.513 3.792 0 40 IHAB CC1CCN(c2nnc(S[C@@H](C)C(=O)N3CCc4ccccc4C3)n2C2CC2)CC1 21699266 OGSBADSTDZADOI-KRWDZBQOSA-N 425.602 3.915 0 40 IHAB COc1ccc(-n2c(C)nc3ccc(NC(=O)c4cccc(OC)c4OC)cc3c2=O)cc1 22498672 DJYTYCJKGJWVTA-UHFFFAOYSA-N 445.475 3.972 0 40 IHAB O=C(NCCSc1ccc(Cl)cc1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 24606776 DHLKQKALQTXVNV-AWEZNQCLSA-N 445.031 3.711 0 40 IHAB CC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1 25110012 DWAZBURZRCMOBW-LJQANCHMSA-N 430.460 3.577 0 40 IHAB O=C(Nc1cccnc1)[C@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 26110526 YWYJUIBAMNXHRK-ZDUSSCGKSA-N 428.341 3.569 0 40 IHAB O=C(COc1ccccc1)Nc1ccccc1C(=O)OCC(=O)c1cccc2c1OCCO2 26779955 KUQDINBZXGZTSH-UHFFFAOYSA-N 447.443 3.515 0 40 IHAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N1CCC[C@H]1c1nnc2ccccn12 29078733 GFOJGABXQVMWFX-NRFANRHFSA-N 439.523 3.838 0 40 IHAB O=C(COc1ccc2oc3ccccc3c2c1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 29360605 RSYAHVQEDHZWPO-QGZVFWFLSA-N 427.522 3.923 0 40 IHAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@H](c1c(Cl)cccc1Cl)SCC(=O)N2 31806891 LGIBXGQIUMFDFS-OAHLLOKOSA-N 446.323 3.929 0 40 IHAB CCCn1c(=O)n(CCC(=O)N2CCC[C@H]2c2ccc(OC)c(OC)c2)c2ccccc21 32901626 AOXGCRSKOUULTB-IBGZPJMESA-N 437.540 3.984 0 40 IHAB COc1ccccc1CN(C)C(=O)c1cc(CN2C(=O)c3ccccc3C2=O)cc(C)c1O 32999772 KQQLRBHMGZZDPS-UHFFFAOYSA-N 444.487 3.778 0 40 IHAB CCOc1ccc(NC(=O)c2cc(I)c(OC)c(OC)c2)cc1 33411922 QAEWQEYKCCLTRL-UHFFFAOYSA-N 427.238 3.959 0 40 IHAB O=C(c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1)N1CCc2ccccc2C1 33462928 UYSIKKVWCDOBAF-UHFFFAOYSA-N 432.545 3.632 0 40 IHAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 33741260 ZCIPVAKEIYYMCD-JTQLQIEISA-N 436.839 3.673 0 40 IHAB Cc1ccc(-n2ccn3c(SCC(=O)c4c[nH]c5ccccc45)nnc3c2=O)cc1C 35447921 SJDBGEKSZQRWPV-UHFFFAOYSA-N 429.505 3.953 0 40 IHAB Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)NC[C@H](C)Cn3cc(Cl)cn3)c12 36616500 KTVZFWITPFKPHS-LBPRGKRZSA-N 428.949 3.921 0 40 IHAB CC[C@@H](C(=O)NCc1ccc(OC(C)C)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 38756616 IWWDRLALQRGHSC-FQEVSTJZSA-N 438.977 3.988 0 40 IHAB CCCS(=O)(=O)N1CCc2ccc(NC(=O)c3cc4cccc(OC)c4o3)cc2C1 38944986 HHPMNYKQLUQIOD-UHFFFAOYSA-N 428.510 3.792 0 40 IHAB CCC(CC)C(=O)N1CCC(NC(=O)Nc2ccccc2N2C[C@@H](C)O[C@H](C)C2)CC1 48333835 WGSHRRMSLORYPL-QZTJIDSGSA-N 430.593 3.849 0 40 IHAB COCCN(Cc1cccs1)C(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 48344546 TWTHFYIPGJKFIH-UHFFFAOYSA-N 434.517 3.833 0 40 IHAB Cc1ccc2c(=O)c(C(=O)Nc3ccccc3)cn(CC(=O)Nc3ccccc3F)c2n1 49002007 YWFRWNGQJQYIKM-UHFFFAOYSA-N 430.439 3.735 0 40 IHAB COc1cccc([C@H](C)NC(=O)Cn2cccc2-c2nc(-c3ccc4c(c3)OCO4)no2)c1 57487103 LLOGTSJAWBPKEW-HNNXBMFYSA-N 446.463 3.820 0 40 IHAB O=C(Nc1ccccc1)c1cccc(CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)c1 59421139 HYRBFAWHQTVQBA-RUZDIDTESA-N 427.460 3.669 0 40 IHAB COc1ccccc1Cn1c(=O)c2sccc2n(CC(=O)Nc2cccc(C)c2C)c1=O 67205608 ZBMATMXYYSZLDD-UHFFFAOYSA-N 449.532 3.537 0 40 IHAB Cc1ccccc1NC(=O)CN1CCC2(CC1)NC(c1ccc(OC(F)(F)F)cc1)=NO2 67317523 HMRHTCRGOGLBIX-UHFFFAOYSA-N 448.445 3.606 0 40 IHAB COc1cc(C(=O)N2CCC[C@H](c3ccnc(-c4cccnc4)n3)C2)cc(OC)c1OC 72389624 FVCPYQMTWUPKGK-KRWDZBQOSA-N 434.496 3.584 0 40 IHAB COc1ccc2cc(C(=O)N3CCC[C@@H](c4cc(C(F)(F)F)n5ncnc5n4)C3)[nH]c2c1 72393654 HKPGTMMTPBHION-CYBMUJFWSA-N 444.417 3.653 0 40 IHAB COc1ccc(OC)c2c1cc(C(=O)N1CCC(O)(c3ccc(Cl)cc3)CC1)n2C 72401430 XSEMRWLOIVSEHH-UHFFFAOYSA-N 428.916 3.973 0 40 IHAB CCC[C@@H](O)c1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 77300650 MGRMJQDIUBITKP-LJQANCHMSA-N 438.919 3.758 0 40 IHAB in-vitro CC[C@H](NCC(=O)N(Cc1ccccc1)c1ccccc1)c1cccc(S(N)(=O)=O)c1 95462597 RIOCCWZQNOPFOE-QHCPKHFHSA-N 437.565 3.608 0 40 IHAB S=C(NCc1cccc(CNC(=S)N[C@@H]2C[C@@H]3CC[C@@H]2C3)c1)N[C@@H]1C[C@@H]2CC[C@@H]1C2 100999099 SWUWBRFMBUQOLC-JYXLIDJPSA-N 442.698 3.992 0 40 IHAB COc1ccc(NC(=O)c2cccc(N3C(=O)[C@@H]4[C@@H]5C=C[C@H]([C@H]6C[C@@H]65)[C@H]4C3=O)c2)c(OC)c1 102080675 XBURRTUYWLXGOK-VMOSYGLWSA-N 444.487 3.514 0 40 IHAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)ccc1OC(F)F 106755718 RZLOZZHMJVMUSE-WJDWOHSUSA-N 440.468 3.736 0 40 IHAB Cc1cc(Br)ccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccccc2C)C1 166273929 FIFASUWBWJBTOS-OAHLLOKOSA-N 445.313 3.601 0 40 IHAB CC(C)(C)OC(=O)N[C@]1(CN)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(Cl)c1 218631994 UGWFIKWKIQAQFF-WFXMLNOXSA-N 436.961 3.502 0 40 IHAB CC[C@H](C(=O)NCCCc1ccc(OC)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 219106928 MKMMJXGPVGXBAB-HXUWFJFHSA-N 438.977 3.642 0 40 IHAB CC[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N(c1ccc(OC)cc1)S(C)(=O)=O 220643936 YDMYFZLUOWPWCV-KRWDZBQOSA-N 430.448 3.897 0 40 IHAB Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)c3cc(=O)[nH]c4ccccc34)C2)n1 220815536 ICOJWKPORJIKHI-QGZVFWFLSA-N 428.492 3.981 0 40 IHAB COC(=O)c1cn(C(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)c2ccccc12 222599382 KHVSKBLHXARFLK-MRXNPFEDSA-N 428.510 3.540 0 40 IHAB CCOc1ccccc1NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1 222641409 VEBWFRYDESHWFG-UHFFFAOYSA-N 438.918 3.643 0 40 IHAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(C(=O)O)cc2C)o1 223030352 CQNGYFFTBUQYCN-LEWJYISDSA-N 437.521 3.967 0 40 IHAB C[C@@H](NC(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O)c1ccc2c(c1)CCC2 223240016 HEZPHEAFXVCEFO-OAHLLOKOSA-N 436.524 3.877 0 40 IHAB CCCC[C@H](CC)CNC(=O)CCCN(c1ccc(OC)cc1OC)S(C)(=O)=O 224710263 STSNOKNALAGATP-KRWDZBQOSA-N 428.595 3.583 0 40 IHAB C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 224888831 ACOJHUMJNQREOR-SNVBAGLBSA-N 438.374 3.657 0 40 IHAB O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)NCCSC1CCCC1 225524310 XONCPUVGGRSDDU-UHFFFAOYSA-N 436.574 3.813 0 40 IHAB CCNC(=O)C1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)[C@H]2CCCO2)CC1 257212049 CBRYTJJTCOFYJA-HXUWFJFHSA-N 426.582 3.882 0 40 IHAB Cc1ccc(C(=O)N2CCC(c3n[nH]cc3C(=O)N3CCc4ccccc4C3)CC2)s1 257289871 QANLVLUFXGLRTF-UHFFFAOYSA-N 434.565 3.998 0 40 IHAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 260890425 DCMZJWFREQOORL-GHTZIAJQSA-N 442.581 3.814 0 40 IHAB CCCOc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(C)c(Cl)c3)CC2=O)cc1 409171055 YXRYEKKCWJNMOX-INIZCTEOSA-N 444.915 3.972 0 40 IHAB CCC[C@H](C)NC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 409255255 LCPUHIRSIDHTSP-KRWDZBQOSA-N 434.558 3.512 0 40 IHAB Cc1cc(NC(=O)NCc2noc(-c3ccccc3)n2)n(-c2ccc(C(F)(F)F)cn2)n1 621693379 VGSCUWHPIJYNDW-UHFFFAOYSA-N 443.389 3.966 0 40 IHAB C[C@H](C(=O)N1CCC(O)(Cc2nc(C(C)(C)C)cs2)CC1)N1CCc2ccccc2C1 1557961842 DEVQBVRFVHCSKU-GOSISDBHSA-N 441.641 3.783 0 40 IHAB CC(C)c1cc(C(C)C)c(S(=O)(=O)NC2CCC3(CC2)NC(=O)NC3=O)c(C(C)C)c1 1663248062 UGMPFEVXFIOKNA-UHFFFAOYSA-N 449.617 3.856 0 40 IHAB COc1ccc2cc(CN(Cc3ccco3)S(=O)(=O)c3ccc(C)cc3)c(=O)[nH]c2c1 891899 GJUICPSTXMUNEO-UHFFFAOYSA-N 438.505 3.829 0 40 IHAB CCCCc1ccc(NC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2N)cc1 2391514 QCPSQQKHGREMRD-UHFFFAOYSA-N 441.557 3.750 0 40 IHAB Cc1cc(C(=O)COC(=O)c2ccc3c(c2)OCO3)c(C)n1C[C@@H]1COc2ccccc2O1 2636283 DUHSZVWCRZJNEI-GOSISDBHSA-N 449.459 3.713 0 40 IHAB Cc1cc(C(F)(F)F)nn1C[C@H](C)c1nc2c3cnn(-c4ccccc4)c3ncn2n1 2804460 ZTKWQFSILYUOLC-LBPRGKRZSA-N 426.406 3.791 0 40 IHAB COc1ccc(-c2csc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)n2)cc1OC 3186025 SESVZRBQAJWIIK-UHFFFAOYSA-N 437.477 3.733 0 40 IHAB COc1cc(OC)cc(C(=O)N(CN2C(=O)c3ccccc3C2=O)c2cccc(F)c2)c1 3194725 JCABPPACFSUEKY-UHFFFAOYSA-N 434.423 3.743 0 40 IHAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)N3CCN(C(=O)c4ccco4)CC3)c2n1 3336798 MRPUNZWKWBWTGT-UHFFFAOYSA-N 448.306 3.806 0 40 IHAB CCOC(=O)c1sc2nc(COC(=O)c3cc(C)nc4ccccc34)[nH]c(=O)c2c1C 8569160 GNBQZKYJMZDJJP-UHFFFAOYSA-N 437.477 3.683 0 40 IHAB CCC(CC)C(=O)Nc1ccc(C(=O)OCc2cc(=O)n3nc(C4CC4)sc3n2)cc1 8607035 VZOTYBGNSCNNNG-UHFFFAOYSA-N 440.525 3.760 0 40 IHAB C[C@H](NC(=O)CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)c1ccc(F)cc1 8762655 OUNRJQDZXQTPBJ-MAUKXSAKSA-N 441.528 3.684 0 40 IHAB CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 8878074 MOUXCHDFJJVLRM-GFCCVEGCSA-N 445.869 3.547 0 40 IHAB CCCCn1c(C)cn2c3c(=O)n(Cc4ccc(Cl)c(Cl)c4)c(=O)n(C)c3nc12 9150084 FBTJLZPIRSGCMW-UHFFFAOYSA-N 434.327 3.613 0 40 IHAB CCOC(=O)N1CCN(C(=O)c2ccccc2NC(=O)Cc2c(F)cccc2Cl)CC1 9190858 FJLCELTWXKDCQO-UHFFFAOYSA-N 447.894 3.575 0 40 IHAB CCc1cccc2c(C(=O)[C@@H](Sc3nnc(CCC(N)=O)n3C)c3ccccc3)c[nH]c12 9219109 UKWSNWQIIKBICX-QHCPKHFHSA-N 447.564 3.993 0 40 IHAB COc1cc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(F)cc2)ccc1OC(F)F 9425406 XSQDMVFLYOEZLU-QGZVFWFLSA-N 437.443 3.867 0 40 IHAB O=C(Cc1nc2ccccc2n1CC(=O)Nc1ccc(F)c(F)c1)NCc1ccccc1 9492583 WZYBKMYKOUPHHY-UHFFFAOYSA-N 434.446 3.812 0 40 IHAB CCc1cc(=O)oc2cc(O[C@@H](C)C(=O)NC3CCN(Cc4ccccc4)CC3)ccc12 9510495 XMAVRFPIJCTQJU-SFHVURJKSA-N 434.536 3.904 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)N(CC(=O)N(C)Cc2ccccc2)Cc2ccco2)c1 9539899 IIPPOBXTGFVENC-UHFFFAOYSA-N 426.538 3.746 0 40 IHAB COc1cc(OC)cc(C(=O)Nc2nc(CC(=O)N[C@@H](C)c3ccccc3)cs2)c1 9659214 FASTVIVQTQRZEL-AWEZNQCLSA-N 425.510 3.833 0 40 IHAB NC(=O)c1c(NC(=O)CSc2nnc(Nc3ccc(F)cc3)s2)sc2c1CCC2 9666281 BLPZQZVZUCPVKJ-UHFFFAOYSA-N 449.558 3.801 0 40 IHAB CCCNC(=O)c1cnn2c1N[C@@H](c1cc(OC)c(OC)c(OC)c1)C[C@@H]2C(F)(F)F 9780775 DMNOZQIAOFFZJZ-CZUORRHYSA-N 442.438 3.709 0 40 IHAB COc1ccc(N(CC(=O)N2CCc3ccccc32)S(=O)(=O)c2ccc(C)cc2)cc1 10449099 BCIXEIUZCMHHLR-UHFFFAOYSA-N 436.533 3.788 0 40 IHAB CCOC(=O)Cc1csc(SCC(=O)NCc2ccccc2OC(F)(F)F)n1 11646111 DOPMPZXLHQIQSX-UHFFFAOYSA-N 434.461 3.556 0 40 IHAB COc1ccc(-c2cc(C(=O)Nc3cc(C)cc(C)c3)nn2[C@H]2CCS(=O)(=O)C2)cc1 11996849 FGDJVSZHJWYCJN-IBGZPJMESA-N 439.537 3.787 0 40 IHAB CCC(C)(C)NC(=O)[C@@H](c1ccccn1)N(Cc1ccccc1F)C(=O)c1csnn1 12871904 CPOWDXGAHKLTEX-LJQANCHMSA-N 441.532 3.761 0 40 IHAB CCOc1ccccc1-n1nnnc1SCC(=O)c1c(C)cc(C)c(NC(C)=O)c1C 12943256 HLSYRPPELUEZEY-UHFFFAOYSA-N 439.541 3.920 0 40 IHAB Cc1cc(C)c(NC(=O)CN(C)CC(=O)Nc2cc3c(cc2Cl)OCCCO3)c(C)c1 12995061 YPMDKGCQKKMCGK-UHFFFAOYSA-N 445.947 3.936 0 40 IHAB COc1ccc(CNC(=O)COC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)cc1OC 13005223 BHXVOUBPZHJJGV-HNNXBMFYSA-N 436.508 3.783 0 40 IHAB CCc1ccccc1N(C(C)=O)c1nc(COC(=O)C2CCN(C(C)=O)CC2)cs1 13113262 WFARNJUDIYSNDS-UHFFFAOYSA-N 429.542 3.692 0 40 IHAB CCOc1ccc(CCNC(=O)COC(=O)c2ccc(OC(C)C)cc2)cc1OCC 13155532 MURGXVBZXBQSST-UHFFFAOYSA-N 429.513 3.787 0 40 IHAB O=C(/C=C/c1ccccc1)N(Cc1ccc2c(c1)OCO2)Cc1nc2ccccc2c(=O)[nH]1 13511337 YVOWXOKKCMSLAC-ACCUITESSA-N 439.471 3.894 0 40 IHAB C[C@H](c1nnnn1CCc1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 13565075 PCYHFXJOLLQZEC-QGZVFWFLSA-N 430.478 3.818 0 40 IHAB CSCC[C@@H](C(=O)N[C@H]1CCSc2ccc(F)cc21)N1C(=O)c2ccccc2C1=O 14226984 UIZTUEKYJJUPJD-ROUUACIJSA-N 444.553 3.897 0 40 IHAB Cc1ccc(N2C(=O)C(=O)N(CC(=O)c3cc(C)n(CCc4cccs4)c3C)C2=O)cc1 14241961 SAOZZCCFRGNHKW-UHFFFAOYSA-N 449.532 3.896 0 40 IHAB O=C(Nc1ccc(OC(F)(F)F)cc1)C1CCN(S(=O)(=O)c2ccccc2F)CC1 14906168 YNPTXCKMPBDNLO-UHFFFAOYSA-N 446.422 3.764 0 40 IHAB CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)Cc1ccc(C(F)(F)F)cc1 16469304 OEQXMIKDJNSMTO-UHFFFAOYSA-N 449.473 3.572 0 40 IHAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc(OCc3ccccc3)c2)N1CCO 16753369 BKSAUHVKSCNPOB-HSZRJFAPSA-N 427.456 3.910 0 40 IHAB CN(CC(=O)Nc1sccc1C(N)=O)Cc1ccc(-c2ccc(Br)cc2)o1 18939386 WMHTZHPBUPSNTG-UHFFFAOYSA-N 448.342 3.940 0 40 IHAB COc1ccc(CC(=O)N2CCC(c3nc(NC4CC4)ncc3-c3cc(C)no3)CC2)cc1 19122856 WJVOQRVCBPEXMX-UHFFFAOYSA-N 447.539 3.972 0 40 IHAB Cc1ccc(-c2cccc(C[C@]3(C(=O)N(C)C)CCN(C(=O)c4ccn(C)n4)C3)c2)cc1 19212600 GQFQLXJNVQSTAH-AREMUKBSSA-N 430.552 3.559 0 40 IHAB CCCN1CCN(C(=O)c2c[nH]nc2C)C[C@@H](Cc2cccc(-c3ccccc3)c2)C1=O 19502991 PVVCLWDGERIBMW-HSZRJFAPSA-N 430.552 3.938 0 40 IHAB Cc1nc([C@H]2CCN(C(=O)C3(c4ccc(Cl)cc4)CCCCC3)C2)ncc1C(N)=O 19758179 AFLLSCIXUBHFAQ-INIZCTEOSA-N 426.948 3.755 0 40 IHAB Cc1ccc2oc(C(=O)N3CCCC[C@@H]3c3ncc(C(=O)N4CCOCC4)c(C)n3)cc2c1 19765663 RQSBDSZLRMLIHF-HXUWFJFHSA-N 448.523 3.679 0 40 IHAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(F)cc3)cc2)c1 20020167 RPJPYLLFGRTGOI-UHFFFAOYSA-N 442.512 3.939 0 40 IHAB COc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)c1cccc(C)c1OC 20153392 KCLABAHWCOWMOU-UHFFFAOYSA-N 426.494 3.891 0 40 IHAB Cc1nc(SCC(=O)Nc2cccc(N3CCCC3=O)c2)n(C[C@@H]2CCCO2)c1C 22131518 XJRRFZHXSLZNSZ-IBGZPJMESA-N 428.558 3.537 0 40 IHAB CCOc1ccc(CCCNC(=O)CN(c2c(C)cc(C)cc2C)S(C)(=O)=O)cc1 22425244 DBTDAJUKVRAIFB-UHFFFAOYSA-N 432.586 3.526 0 40 IHAB C[C@@H]1CCCN(C(=O)C2CCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)CC2)C1 22512566 FDRCOEJBMMQECU-CQSZACIVSA-N 433.401 3.794 0 40 IHAB Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccncc3)CC2)cc1NC(=O)c1ccco1 24701897 BBQPJAFYWXZFNH-UHFFFAOYSA-N 432.480 3.726 0 40 IHAB CNC(=O)c1ccc(/C=C/C(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2Cl)cc1 24832647 UPDSSKQIWWRGJK-YPNIWSFNSA-N 428.916 3.912 0 40 IHAB C[C@H](Sc1cc(C(N)=O)c2ccccc2n1)C(=O)N1c2ccccc2NC(=O)C1(C)C 25914319 ULTAVLCEOFTYIO-ZDUSSCGKSA-N 434.521 3.578 0 40 IHAB CN(CCCC(=O)N1CCC[C@H](c2nc3ccccc3o2)C1)S(=O)(=O)c1cccs1 31126931 IFGLFZWCSIOOFN-INIZCTEOSA-N 447.582 3.696 0 40 IHAB COc1ccc(-c2nc(C(=O)Nc3ccccc3N3CCN(C)CC3)cs2)cc1OC 32778019 NDYZOTQHTCSOIX-UHFFFAOYSA-N 438.553 3.831 0 40 IHAB COc1ccc(OCc2noc(CN3CCN(Cc4c(F)cccc4Cl)CC3)n2)cc1 32868793 PBCARSMOKYYUBQ-UHFFFAOYSA-N 446.910 3.768 0 40 IHAB CCOC(=O)C1=C(C(=O)OCC)N(c2ccc(Cl)cc2)C(=O)N[C@H]1c1ccccc1 32936428 CFGQPMVMOGJPNB-SFHVURJKSA-N 428.872 3.991 0 40 IHAB CC[C@@H](Sc1nnc(-c2ccccc2NC(C)=O)c(O)n1)C(=O)Nc1ccc(F)cc1 35377887 ZTTFNFXBCYDMDU-QGZVFWFLSA-N 441.488 3.851 0 40 IHAB Cc1cc(N2C[C@H](C(=O)N3CCC[C@H]3c3ccncc3)CC2=O)ccc1Br 36394293 SCCOPEOHSFIWMZ-APWZRJJASA-N 428.330 3.869 0 40 IHAB CCN(CC)C(=O)c1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2ccco2)cc1 36695036 OHZPOFBJAZNIIE-QFIPXVFZSA-N 445.519 3.967 0 40 IHAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)NCc2ccccc2OC(F)F)c1 40096789 BGUYEWMGDPOLLD-UHFFFAOYSA-N 427.473 3.640 0 40 IHAB CCCS(=O)(=O)N1CCC[C@H](C(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)C1 40129576 JAUUMRATOALHPZ-HNNXBMFYSA-N 425.551 3.648 0 40 IHAB COc1cccc2cc(C(=O)N3CCC(c4nnc(-c5ccco5)s4)CC3)c(=O)oc12 49363111 DCPKMQUUVNBCNI-UHFFFAOYSA-N 437.477 3.933 0 40 IHAB CC1CCC(NC(=O)Cn2nc3c(SCc4ccc(Cl)cc4)nccn3c2=O)CC1 67255524 VSYQNCAHXCJHDP-UHFFFAOYSA-N 445.976 3.532 0 40 IHAB Cc1nc(-c2ccccc2)n(CC(=O)Nc2cc(Cl)cc(Cl)c2)c(=O)c1CCO 67300360 ZADIUBBXJVHPDZ-UHFFFAOYSA-N 432.307 3.699 0 40 IHAB O=C(CCCOc1cccc(F)c1)N1CCC[C@H](c2cc(C(F)F)n3ncnc3n2)C1 72395391 NWVXWZFNGCIOME-AWEZNQCLSA-N 433.434 3.766 0 40 IHAB C1CCc2c(sc3nc(CN4CCOCC4)nc(NC[C@H]4CSCCS4)c23)C1 79061598 KQMBYXXUMZCFEO-AWEZNQCLSA-N 436.672 3.663 0 40 IHAB C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[S@@](=O)Cc1csc(Br)c1 83967124 BVNLKEHEZQEKCT-NXHNLGHQSA-N 428.373 3.788 0 40 IHAB O=C(c1cc(S(=O)(=O)N2CCSc3ccc(C(F)(F)F)cc32)c[nH]1)N1CCCC1 84452269 RPEBTEOVENPPCP-UHFFFAOYSA-N 445.488 3.571 0 40 IHAB CC1=C[C@H]([C@H]2CC(=O)N(c3ccc(C)cc3)C2=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]12 100543210 CPQIYYIWZOCUGT-UCIDMZFESA-N 442.515 3.955 0 40 IHAB N[C@H](Cc1ccc(F)cc1)C(=O)NC[C@H]1CC[C@H](c2ccnc(Nc3ccccn3)n2)CC1 100708847 BBVQRJGUBKOXEV-SVFBPWRDSA-N 448.546 3.714 0 40 IHAB CCNC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCCN(C(=O)C2[C@H]3CCCC[C@H]23)C1 100721592 HPHPOBVJVGHUAR-WCYRKSIYSA-N 446.595 3.867 0 40 IHAB COc1ccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H]([C@H]6C[C@H]56)[C@H]4C3=O)c2)c(OC)c1 100877978 XBURRTUYWLXGOK-IBEPOWJWSA-N 444.487 3.514 0 40 IHAB O=C(O)c1ccccc1[C@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2ON1c1ccccc1 102740767 VARXRXVMXBPTGE-ACRUOGEOSA-N 432.407 3.575 0 40 IHAB CC[C@H](C(=O)N[C@H](C)COc1ccccc1C)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220582929 XMMUPNBLFXBZRM-TZIWHRDSSA-N 432.586 3.740 0 40 IHAB CC[C@H](C(=O)NCCSc1ccc(Cl)cc1)N(c1ccccc1F)S(C)(=O)=O 220589127 FAEOCEIFJWBSGC-QGZVFWFLSA-N 444.981 3.932 0 40 IHAB CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(Br)c(C)c1 222475439 YPXJTRUEGQZMAH-MRXNPFEDSA-N 433.346 3.608 0 40 IHAB CCOC(=O)c1cccc(NC(=O)CCCN(c2ccc(CC)cc2)S(C)(=O)=O)c1 222647684 FXLZSRTZTPYGLN-UHFFFAOYSA-N 432.542 3.611 0 40 IHAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc2c(c1)OCCO2 222651617 PGEPYGKXYUQJQE-OAQYLSRUSA-N 442.531 3.862 0 40 IHAB CS(=O)(=O)N(CCCC(=O)Nc1ccc(Br)cc1F)c1ccccc1F 222656336 FRADJECOQGXBOP-UHFFFAOYSA-N 447.301 3.912 0 40 IHAB CCc1ccc(CC)c(CNC(=O)CCCN(c2cccc(OC)c2)S(C)(=O)=O)c1 222836693 ZMTVVSMWQROPFY-UHFFFAOYSA-N 432.586 3.683 0 40 IHAB COc1cc(C)c([C@@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1C(C)C 223331345 STHQWHWHMKPMKV-GOSISDBHSA-N 432.586 3.933 0 40 IHAB CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)COc1ccc(Cl)cc1Cl 223372176 FBWMHHNUDRFNDH-SFHVURJKSA-N 439.339 3.934 0 40 IHAB COc1ccc(S(=O)(=O)NCCOc2cccc3ccccc23)cc1Br 223530303 WSLFEKRYHAXMJY-UHFFFAOYSA-N 436.327 3.968 0 40 IHAB Cc1cc(C)c(N(CC(=O)NCCOc2ccccc2C(C)(C)C)S(C)(=O)=O)c(C)c1 223708673 QUUAJGLUXIWSDD-UHFFFAOYSA-N 446.613 3.871 0 40 IHAB COC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3C)c2)cc1 224115760 LZZVFWFVIDJIBC-UHFFFAOYSA-N 438.505 3.859 0 40 IHAB CC(C)[C@H](C)NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 225187178 LKVDGGKYRZWLHG-HNNXBMFYSA-N 439.375 3.805 0 40 IHAB O=C(c1ccc(-n2cccn2)nc1)N1CCC[C@H]1c1cncc(Cc2cccc(F)c2)n1 257279218 OFONUCKJVHPMFZ-QFIPXVFZSA-N 428.471 3.765 0 40 IHAB O=C1NCCN(C(=O)c2[nH]nc3c2CCCCC3)[C@@H]1Cc1ccccc1-c1ccc(F)cc1 257294883 QWDGHVSBYVNQBJ-HSZRJFAPSA-N 446.526 3.668 0 40 IHAB CC(C)(C)C(=O)N1CCC(c2nnc([C@H]3CCCCN3C(=O)C[C@H]3CCCCO3)o2)CC1 257337750 YUEPTSFTEQXHNP-RTBURBONSA-N 446.592 3.835 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3c4ccccc4C[C@@H]3C)C2)cc1Cl 260743116 NUGDSUAJDPJWHJ-RDJZCZTQSA-N 448.972 3.727 0 40 IHAB O=C(COC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1)c1ccccc1 408640414 HWIQKEKBBPZSBD-FQEVSTJZSA-N 442.471 3.718 0 40 IHAB Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@@H](C)C=CC[C@H]4C3=O)cc2)c(C)c1 408661191 MDWBWWMRURTTOJ-YBVWCTEOSA-N 446.503 3.801 0 40 IHAB COc1ccc(CCNC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1OC 408708684 KQZGOYDQIZLKGW-UHFFFAOYSA-N 430.810 3.673 0 40 IHAB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)NCCSCc1ccco1 408920411 GOTHWTRIZWQTJV-UHFFFAOYSA-N 448.541 3.664 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCCCC1)c1cc(C)cc(C)c1 409393934 ZKAJPGSIFUTQNG-UHFFFAOYSA-N 430.570 3.828 0 40 IHAB CN1CCC([C@@H]2CCN(C(=O)Nc3ccc(C(=O)NCCc4ccccc4)cc3)C2)CC1 535217276 XGVXMCFWEKSHBR-HSZRJFAPSA-N 434.584 3.855 0 40 IHAB C[C@H]1Oc2ccc(C(=O)C3CCN(C(=O)[C@H]4CCC(=O)c5ccccc54)CC3)cc2NC1=O 559563020 DKNJLIIUNNRRDN-QRWLVFNGSA-N 446.503 3.588 0 40 IHAB C[C@H](c1ccc(Cl)cc1)n1nnc2c1NC(=O)C[C@@]21C(=O)Nc2ccc(Cl)cc21 575447823 FSGQWMSAZZYMLE-SBKAZYGRSA-N 428.279 3.775 0 40 IHAB Cc1cc(OC[C@]2(O)CCCN(C(=O)c3n[nH]c4c3CCCC4)CC2)cc(C)c1Cl 2037912683 UPZJGNDVFGZCPX-QHCPKHFHSA-N 431.964 3.995 0 40 IHAB CSC[C@H](NC(=O)CCc1c(C)c2cc3c4c(oc3cc2oc1=O)CCCC4)C(=O)O 2138702 KDMARFWNPXDZSG-KRWDZBQOSA-N 443.521 3.591 0 40 IHAB biogenic COc1ccc(O[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)[C@@H]2c2ccc3c(c2)OCO3)cc1 3653550 KZJKNUIKFKVUTB-DNQXCXABSA-N 447.443 3.684 0 40 IHAB CCOC(=O)CN(C(=O)CSc1nnc(CNc2ccc(F)cc2)o1)c1ccccc1 4411354 RKUQOEXKHUWNDS-UHFFFAOYSA-N 444.488 3.509 0 40 IHAB Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)N3CCCCC3)cc12 6405755 MMMDDKWUUVCDEK-HSZRJFAPSA-N 446.530 3.894 0 40 IHAB CC(=O)Oc1c(SCC(=O)O)cc(NS(=O)(=O)c2ccc(F)cc2)c2ccccc12 8439342 XXWGOUBBDOVCOB-UHFFFAOYSA-N 449.481 3.882 0 40 IHAB C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(C(=O)OCc2cc(=O)n3ccsc3n2)cc1 8607682 PXXFOYMHNDPVKJ-OAHLLOKOSA-N 449.488 3.519 0 40 IHAB CCC(C)(C)NC(=O)CN(C(=O)CCC(=O)Nc1ccccn1)c1ccc(F)c(Cl)c1 8671415 DIPOVBCSEQGZEG-UHFFFAOYSA-N 448.926 3.931 0 40 IHAB C[C@@H](N[C@H](C)c1cc2ccccc2o1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 8734779 HRTKOYMCWMHMPW-IAGOWNOFSA-N 441.553 3.895 0 40 IHAB C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N(Cc2ccco2)C2=CCCCC2)C1=O 8746012 VXDIQXNMUPIPMN-QHCPKHFHSA-N 425.460 3.672 0 40 IHAB CCCCN1C(SCC(=O)NCCCc2ccccc2)=NS(=O)(=O)c2ccccc21 8757091 KATLTUABKBVELN-UHFFFAOYSA-N 445.610 3.834 0 40 IHAB COc1cc(/C=N/NCc2ccccc2Cl)cc(Br)c1OCC(=O)O 8811876 ZCFMDIKDZRTBMZ-DNTJNYDQSA-N 427.682 3.698 0 40 IHAB Cc1cc(O[C@@H](C)C(=O)N(Cc2cccc(F)c2)[C@H]2CCS(=O)(=O)C2)ccc1Cl 8916489 SWVIPWUAHLAHIC-YJBOKZPZSA-N 439.936 3.771 0 40 IHAB CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(CC)C(=S)N2Cc2ccc(F)cc2)cc1 9067992 WJMUDBKUXRUHOW-LJQANCHMSA-N 429.517 3.571 0 40 IHAB COc1ccccc1C(=O)N1[C@@H](CC(=O)Nc2ccc(C)c(C)c2)C(=O)N[C@H]2CCCC[C@@H]21 9123888 PTBCTVVKUYENGB-FKBYEOEOSA-N 449.551 3.593 0 40 IHAB COc1cccc(NC(=O)[C@H]2Sc3nnc(C)n3N[C@H]2c2ccc(OC)c(Cl)c2)c1 9238622 RYPNDJFWVHOCEQ-ROUUACIJSA-N 445.932 3.655 0 40 IHAB CCOC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2C=Cc3c(ccc4ccccc34)N12 9309845 YUYLVTDMEBCBMG-YCAMKHIRSA-N 438.483 3.793 0 40 IHAB O=C(CSc1nnc(-c2ccccc2Br)o1)NC(=O)NCc1ccccc1 9508227 TUHUVSRPJCXFQR-UHFFFAOYSA-N 447.314 3.617 0 40 IHAB O=C(N[C@H]1CCSc2ccc(F)cc21)c1ccc(S(=O)(=O)NCc2ccco2)cc1 9647876 GNVVNAHIZJKBRW-IBGZPJMESA-N 446.525 3.864 0 40 IHAB O=C(NCCc1ccc(Cl)cc1)C(=O)NC[C@H](c1ccco1)N1CCc2ccccc21 9708128 ZZQZMIOVOSRIQP-OAQYLSRUSA-N 437.927 3.512 0 40 IHAB O=C(NCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccc(-c2ccccc2)cc1 9712049 DOCSIOPMHUCVHB-UHFFFAOYSA-N 441.531 3.961 0 40 IHAB COc1ccc(/C=C2/N=C(c3ccccc3)N(NC(=O)c3ccccc3)C2=O)cc1OC 9730536 ZLFROMMISZDMHA-HMMYKYKNSA-N 427.460 3.679 0 40 IHAB Cc1ccc(C(=O)N2[C@@H](CC(=O)Nc3ccc(Cl)cc3)C(=O)N[C@@H]3CCCC[C@@H]32)cc1 10035266 NECZLXZYJJPSMS-HKBOAZHASA-N 439.943 3.929 0 40 IHAB COc1ccc(NC(=O)COC(=O)c2ccccc2I)cc1Cl 11439339 PXMSQKVWJQETIG-UHFFFAOYSA-N 445.640 3.749 0 40 IHAB CS(=O)(=O)NC1CCN(C(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)CC1 11449460 NIGHYAMBTFBRCG-UHFFFAOYSA-N 439.002 3.786 0 40 IHAB CCCCN(C)C(=O)Cn1c([C@H]2CC(=O)N(c3ccc(OC)cc3)C2)nc2ccccc21 12062089 QSCGUBZRZASQRK-SFHVURJKSA-N 434.540 3.824 0 40 IHAB CC1(C)Cc2nc(-c3cnccn3)ncc2[C@H](NC(=O)c2cccc(N3CCCC3=O)c2)C1 12239139 ASLZSNODCUVYIF-HXUWFJFHSA-N 442.523 3.504 0 40 IHAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1nc2ccc(Oc3ccccc3)cc2s1 12532829 CFWORMHLUNYBFJ-IAGOWNOFSA-N 433.489 3.978 0 40 IHAB CC[C@@H](NC(=O)c1ccc(=O)n(Cc2ccccc2)n1)c1ccc(Br)cc1 12760402 WGWMTEYVIIIYMA-GOSISDBHSA-N 426.314 3.935 0 40 IHAB Cc1ccc(S(=O)(=O)CCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 12794858 OVOHQEXYOAMONI-HXUWFJFHSA-N 429.538 3.684 0 40 IHAB C[C@@H]1C[C@@H](C)CN(C(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)C1 12815651 BOKBCNPWKGMGPN-HUUCEWRRSA-N 432.508 3.611 0 40 IHAB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)OCC(=O)N(C1CCCCC1)C1CCCCC1 13039066 VSOLFFLYFKYGJG-SFTDATJTSA-N 446.588 3.589 0 40 IHAB CC(=O)NCCc1ccc(-c2csc(NC(=O)COc3ccc(C(C)=O)cc3)n2)cc1 13042543 UCDNHQZLKIKBNW-UHFFFAOYSA-N 437.521 3.709 0 40 IHAB CC[C@H](c1nnnn1CCOC)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1 13065002 HQYXUNQPFRDGKO-JOCHJYFZSA-N 438.576 3.674 0 40 IHAB CC(=O)N/C(=C\c1ccccc1)C(=O)O[C@@H](C)C(=O)Nc1nc(-c2ccccc2)cs1 13068320 JWHWLEDZXWALHO-CCNLRRDASA-N 435.505 3.858 0 40 IHAB CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCN(c2ccccc2)CC1 13073484 IFLYROVHYVMMIN-FQEVSTJZSA-N 431.989 3.540 0 40 IHAB CN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 13102735 GFQIGNBJDPSVCZ-GOSISDBHSA-N 426.460 3.677 0 40 IHAB Cc1ccc(OCc2nnc(S[C@@H](C(=O)N3CCCC3)c3ccccc3)n2N)c(C)c1 13113363 MYJTZQRXPSWDDW-OAQYLSRUSA-N 437.569 3.644 0 40 IHAB CC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)N[C@](Cc3ccccc3)(c3ccccc3)C2=O)c1C 13128894 UILZRRKVQVQOHM-AREMUKBSSA-N 443.503 3.707 0 40 IHAB CC(C)(C)[C@H]1CCc2c(sc3nc(CN4CCN(C(=O)C5CCC5)CC4)[nH]c(=O)c23)C1 13513533 OBLYGDYMDCRZLP-INIZCTEOSA-N 442.629 3.580 0 40 IHAB CCOC(=O)N1CCN(Cn2nc(Cc3ccccc3)n(-c3ccccc3)c2=S)CC1 14203057 MZGVHBXFFRWBKP-UHFFFAOYSA-N 437.569 3.726 0 40 IHAB COc1ccc(NC(=O)CSCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)c(OC)c1 14241462 FLHGVDSVAYHZPE-UHFFFAOYSA-N 445.566 3.753 0 40 IHAB O=C(CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)NCc1ccccc1F 14247937 CJXXHSURAHUDAJ-HNNXBMFYSA-N 432.546 3.733 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C1(c2ccccc2)CC1 16044795 UKVBFUGIBIVILD-UHFFFAOYSA-N 428.554 3.930 0 40 IHAB COc1ccc(Cn2nnnc2S[C@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)cc1 16369520 VOPHDXLGOLNWIA-CYBMUJFWSA-N 447.948 3.820 0 40 IHAB CSc1ncc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)n1 16742638 SOSKQHJJFXTJOC-UHFFFAOYSA-N 448.957 3.929 0 40 IHAB Cc1ccc(CN2C(=O)NC3(CCN(C(=O)Nc4ccc(Cl)cc4)CC3)C2=O)cc1 17041265 MEIBJEZAGKNZFL-UHFFFAOYSA-N 426.904 3.767 0 40 IHAB O=C(Nc1ccc2c(c1)OCCO2)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 17304752 REXXKDHEYIMURE-UHFFFAOYSA-N 428.441 3.650 0 40 IHAB COc1ccc(-c2nc(C(=O)N3CCN(Cc4ccccc4F)CC3)cs2)cc1OC 17844952 IIKVEKUFWFQBLN-UHFFFAOYSA-N 441.528 3.924 0 40 IHAB C[C@@H]1CCC[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)[C@@H]1C 19006056 JOZXKDYVUVLYIZ-LPMFXHHGSA-N 430.973 3.821 0 40 IHAB CCc1nn(C)c(C(=O)N2CCNC(=O)[C@@H](Cc3ccc(-c4cccc(C)c4)cc3)C2)c1C 19521026 KQCLUNICSNWCSK-QHCPKHFHSA-N 444.579 3.697 0 40 IHAB CCn1ncc(CN2CCC[C@H]([C@@H](NC(=O)c3ccccc3OC)c3ccccn3)C2)c1C 19523937 ZMWMGFAFRVEDCI-NBGIEHNGSA-N 447.583 3.998 0 40 IHAB COc1ccc(-c2cc3nc([C@H](C)NC(=O)C4(c5cccc(F)c5)CC4)nn3cn2)cc1 19574358 SUZGTAIDIHTYQV-HNNXBMFYSA-N 431.471 3.848 0 40 IHAB Cc1nc([C@H]2CCCN(C(=O)c3cc(-c4ccccc4F)no3)C2)nc2c1CCCN2C 19707021 YMGRCEXAZZXBEA-INIZCTEOSA-N 435.503 3.981 0 40 IHAB Cc1nn2c(nnc3c(=O)n(-c4ccc5c(c4)OCCO5)ccc32)c1-c1ccc(Cl)cc1 19821548 YEELFEWMVGNASC-UHFFFAOYSA-N 445.866 3.828 0 40 IHAB CCCCN1C(=O)[C@@H](C(=O)OCC)[C@H](c2ccc(OC)c(O)c2)n2c1nc1ccccc12 20675914 DYSGZBWSUQPSFT-SFTDATJTSA-N 437.496 3.666 0 40 IHAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)NCCCCCc1nc(-c2cccs2)no1 21639959 MNCHJVNZVUXTFF-SFHVURJKSA-N 430.530 3.675 0 40 IHAB O=C(CSc1nnc2nc(O)c(-c3ccc(Cl)cc3)nn12)Nc1cccc(Cl)c1 22720373 AKEUNOXEVOGYLB-UHFFFAOYSA-N 447.307 3.930 0 40 IHAB O=C(CN1CCN(Cc2ccsc2)CC1)Nc1ccc(Br)cc1Cl 22932830 JSLCUVDJPGOPFZ-UHFFFAOYSA-N 428.783 3.920 0 40 IHAB Cc1ccc(C(=O)NCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)s1 23409405 HTGZAENAIAUTBB-UHFFFAOYSA-N 433.577 3.720 0 40 IHAB COc1ccc(OC)c([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)c1 23952481 MKDKFMDRFFSZFV-QGZVFWFLSA-N 446.569 3.678 0 40 IHAB CCn1c(SCc2ccc(OC)cc2)nnc(Nc2ccc(OC)c(OC)c2)c1=O 28538934 HOJUJVVLYKDNAH-UHFFFAOYSA-N 428.514 3.720 0 40 IHAB O=C(NCCSCc1ccc(Cl)cc1)c1cccc(S(=O)(=O)N2CCCC2)c1 32341484 XAMBAJGJRCJMBR-UHFFFAOYSA-N 439.002 3.788 0 40 IHAB Cc1ccc2c(c1C)NC(=O)[C@@]21[C@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2[C@H]2CCCN21 34688894 UOUDTJKJGXFWJA-YASKCIBGSA-N 449.938 3.696 0 40 IHAB Cn1c(SCC(=O)NCc2ccc3c(c2)OCCCO3)nnc1-c1c[nH]c2ccccc12 35453976 BJJWEMJZJSWRGN-UHFFFAOYSA-N 449.536 3.533 0 40 IHAB CCn1ncc(Cl)c1CNC(=O)c1cc(C)nc2c1c(C)nn2-c1ccc(OC)cc1 36616289 UACVTGQDTSDCFN-UHFFFAOYSA-N 438.919 3.846 0 40 IHAB Cc1cc2nc(COC(=O)c3cccc(NC(=O)c4ccc(C)c(F)c4)c3C)cc(=O)n2o1 41089636 GJBRDBWAZYOBSD-UHFFFAOYSA-N 449.438 3.961 0 40 IHAB Cc1c(Cl)cccc1NC(=O)Cn1nc2c(SCc3ccccc3)nccn2c1=O 49009244 LOKCFPAELBYJGK-UHFFFAOYSA-N 439.928 3.784 0 40 IHAB CCOc1ccc(-n2c(SCC(=O)Nc3ccc(CC)cc3)nc3[nH]ncc3c2=O)cc1 51316432 COFDWEGBIWKZQN-UHFFFAOYSA-N 449.536 3.801 0 40 IHAB CCN(C(=O)Cn1c(=O)n(-c2ccc(F)c(C)c2)c(=O)c2sccc21)c1ccccc1 57494308 WWXLTNFMKGANER-UHFFFAOYSA-N 437.496 3.715 0 40 IHAB CCOc1ccc(Cl)c(C(=O)Nc2cc(S(=O)(=O)C(F)(F)F)ccc2OC)n1 60351381 FHUGRGWCAWGTFL-UHFFFAOYSA-N 438.811 3.688 0 40 IHAB CCN1CCc2nc(-c3ccccc3)n(CC(=O)Nc3cccc(Cl)c3C)c(=O)c2C1 62007144 DQGGHZOPKBWSFK-UHFFFAOYSA-N 436.943 3.889 0 40 IHAB Cc1cccc(Cn2cccc(C(=O)NCc3cccc(NC(=O)C4CCC4)c3)c2=O)c1 63727543 METXQBRDKTYYJT-UHFFFAOYSA-N 429.520 3.874 0 40 IHAB O=C(NCc1ccccc1)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2cc(Cl)ccc2O1 64985649 AWYRLMNQGWKXRB-NRFANRHFSA-N 442.924 3.613 0 40 IHAB CCOc1ccccc1NC(=O)CSc1nc2cc(C)[nH]c2c(=O)n1Cc1ccco1 67236339 WWSCPKQCBJZQCM-UHFFFAOYSA-N 438.509 3.804 0 40 IHAB Cc1cccc(NC(=O)c2nnn(CC(=O)Nc3ccc(Br)cc3)c2C)c1C 67322623 WJCMICYKVIPSBD-UHFFFAOYSA-N 442.317 3.857 0 40 IHAB CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@@H]1CCCN(Cc2cccnc2N(C)C)C1 72344834 UEJDKDHDLJSMAT-HXUWFJFHSA-N 432.572 3.523 0 40 IHAB Cc1nn(C)cc1S(=O)(=O)N1CCC[C@@H](c2cccc(Cc3ccccc3Cl)n2)C1 72350163 UCPTUANTYXENNV-GOSISDBHSA-N 444.988 3.936 0 40 IHAB CCc1nccn1CC(=O)N1CCC[C@@H]1c1nc(N(C)C)ncc1-c1cccc(Cl)c1 72376635 DPIDWBBTETZYKN-LJQANCHMSA-N 438.963 3.986 0 40 IHAB CCOc1cc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4cccnc4)n3)C2)c(C)cc1OC 72393170 PQMISJGFYMHCAB-IBGZPJMESA-N 434.540 3.927 0 40 IHAB CCN(CC)C[C@@H]1CCCC[C@H]1NCc1nnc(C(=O)NCc2ccc(C)cc2)s1 95946107 AMJMOUZGVXPIDZ-VQTJNVASSA-N 429.634 3.767 0 40 IHAB CC(=O)c1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccc4c(c3)OCO4)no2)cc1 98211512 IERZUUNWRVKGJA-UHFFFAOYSA-N 430.420 3.775 0 40 IHAB CO[C@H]1CC[C@H](C(=O)N[C@H](Cc2c[nH]c3ccccc23)c2cc(N(C)C)nc(C)n2)CC1 100158551 PEALZLCONXYOIN-ZWCUEREDSA-N 435.572 3.938 0 40 IHAB CNC(=O)NC(=O)[C@@H](C)OC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2 102050300 VMZBZFJGHWKWHN-JNINTMOKSA-N 433.464 3.706 0 40 IHAB CCc1ccc([C@@H](C)NC(=O)CN2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1 195529362 LHKGYABLQQHGOD-VQIMIIECSA-N 428.964 3.825 0 40 IHAB CC(C)Oc1ccc(CCCNC(=O)[C@H](C)N(c2cccc(F)c2)S(C)(=O)=O)cc1 220485478 FFFPXXMAWXGWFM-KRWDZBQOSA-N 436.549 3.516 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCc1ccc2ccccc2c1)c1ccc(F)c(F)c1 222811562 RVSADRFCADHDLL-UHFFFAOYSA-N 432.492 3.981 0 40 IHAB CCc1ccc(OCCNS(=O)(=O)c2ccc(SC)c(C(=O)N3CCCC3)c2)cc1 224319534 SMZGTEDQWSXABY-UHFFFAOYSA-N 448.610 3.564 0 40 IHAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1cccc(C(F)(F)F)c1 225060266 LDPMVCQGELYWHP-GOSISDBHSA-N 444.475 3.575 0 40 IHAB CC[C@H](NC(=S)Nc1cccc(N2CCCC2=O)c1)c1ccc(S(C)(=O)=O)cc1 225725560 REQSROQGUUENAL-IBGZPJMESA-N 431.583 3.655 0 40 IHAB CCOc1ccc(-c2noc(CNC(=S)Nc3ccc(N4CCCC4=O)cc3)n2)cc1 225831874 JGFUOKTXXCAYCK-UHFFFAOYSA-N 437.525 3.749 0 40 IHAB CCN(c1ccc2sc(C(=O)NCCOC)cc2c1)S(=O)(=O)c1ccc(OC)cc1 225856788 NXSTVHYZAAGUNQ-UHFFFAOYSA-N 448.566 3.501 0 40 IHAB O=C(c1ccccc1CN1CCOCC1)N1CCC[C@@H](Cc2cccn3ccnc23)CC1 257277951 OADFBQYJVMFBPK-OAQYLSRUSA-N 432.568 3.652 0 40 IHAB Cc1ccc2[nH]nc(C(=O)N3CCO[C@H](c4cc(CCOc5cccc(F)c5)[nH]n4)C3)c2c1 257330046 XMOCJZGQVCULDG-QFIPXVFZSA-N 449.486 3.569 0 40 IHAB Cc1cc(C)nc(NCCC(=O)N2CCO[C@@H](c3cccc(Cc4ccccc4C)n3)C2)n1 257337690 YTZISSXXDMVLIY-XMMPIXPASA-N 445.567 3.790 0 40 IHAB C[C@@H]1CCCN(c2cc(N3CCCC[C@H]3C)nc(NC(=S)NC[C@@H]3CCCO3)n2)C1 260712792 KDTJUBCYDWUYBH-KURKYZTESA-N 432.638 3.557 0 40 IHAB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(SC)c2)c(Cl)c1 408556783 JSKOYSCTSODXCI-UHFFFAOYSA-N 428.963 3.768 0 40 IHAB CS(=O)(=O)N(CC(=O)N(Cc1ccccc1)Cc1ccccc1)Cc1ccc(F)cc1 408604666 FGKYYGPGNRHAMN-UHFFFAOYSA-N 440.540 3.816 0 40 IHAB CCCC[C@@H](C(=O)OCC(=O)Nc1ccccc1Cl)N1C(=O)c2ccccc2C1=O 408654272 BCONGMRTBKTXJI-SFHVURJKSA-N 428.872 3.677 0 40 IHAB Cc1ccc(C)c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC=C[C@H](C)[C@H]4C3=O)cc2)c1 408669359 WFCJDOVVKOOVHZ-XTQVGHSUSA-N 446.503 3.801 0 40 IHAB CCOc1ccc(NC(=O)COc2ccc(C(=S)N3C[C@H](C)O[C@H](C)C3)cc2)cc1 409231139 IFUKYACTQJUFRQ-CALCHBBNSA-N 428.554 3.888 0 40 IHAB Cc1c(Cl)cccc1N(CC(=O)NCCCOC(C)C)S(=O)(=O)c1ccccc1 409253577 XEAKQXILSDSROH-UHFFFAOYSA-N 438.977 3.775 0 40 IHAB Cc1ccccc1N(CC(=O)NCc1ccccn1)S(=O)(=O)c1ccc(Cl)cc1 409407821 IESKVVBYKHSOPS-UHFFFAOYSA-N 429.929 3.555 0 40 IHAB C[C@H](NC(=O)c1cccc(NC(=O)c2ccc3nc[nH]c3c2)c1)c1nnc2n1CCCCC2 518627877 PDJDNZIVEIVKCK-HNNXBMFYSA-N 443.511 3.624 0 40 IHAB Cc1cc(C)n(-c2ccc(CC(=O)Nc3ccc(I)cn3)cc2)n1 525567724 DQTVLRHWRUTVTH-UHFFFAOYSA-N 432.265 3.670 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(c3cncc(Nc4ncccc4C)n3)CC2)cc1C 585176630 JCJKXXDIKGJTCN-UHFFFAOYSA-N 437.569 4.109 0 40 IHAB C[C@@]1(O)CCN(Cc2nccs2)[C@@H](c2ccccc2)[C@@H]1NC(=O)c1ccc(F)cc1 604383293 SWTVRZRVGSYMJT-QNWVGRARSA-N 425.529 3.779 0 40 IHAB biogenic,in-vitro C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)C(=O)NCC2 644605366 IAXSLRGFVZHSOM-HBGVWJBISA-N 431.536 3.695 0 40 IHAB CN(C)C(=O)[C@@H]1CCN(C(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccc(F)cc23)C1 1528855467 JAIJMLATNUJOCS-MRXNPFEDSA-N 425.479 3.982 0 40 IHAB COc1ccc(Cl)cc1NC(=O)CSc1nnc(CNc2ccc(F)cc2)n1C 873174 AQEMCCBCQNAXJC-UHFFFAOYSA-N 435.912 3.959 0 40 IHAB COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CCn1nnc2ccccc21 1324378 IXOKTQZHDDVWCO-UHFFFAOYSA-N 445.479 3.730 0 40 IHAB CCOC(=O)C1=NN(c2ccc(C)cc2)C2=NC(C)=C(C(=O)OCC)[C@@H](c3ccccc3)N12 2181272 CPAJPJGFKGKVHJ-OAQYLSRUSA-N 446.507 3.942 0 40 IHAB Cc1ccc(-c2nnc(Nc3ccc4c(c3)OCO4)c3ccccc23)cc1S(N)(=O)=O 2314534 ONSWFCUAGPGBRU-UHFFFAOYSA-N 434.477 3.725 0 40 IHAB CCOC(=O)c1c(NC(=O)COC(=O)c2ccc3ncsc3c2)sc(C(C)=O)c1C 2644682 AHWYARTWSFPKLB-UHFFFAOYSA-N 446.506 3.841 0 40 IHAB Cc1c(N[C@@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl)c(=O)n(-c2ccccc2)n1C 2666963 OUTODQSSWVJHSQ-QGZVFWFLSA-N 433.767 3.755 0 40 IHAB CCOC(=O)[C@H](C)Oc1cccc2c(=O)n(CC(=O)Nc3ccc(Cl)cc3)ccc12 2712299 FOCLRPUVTPCPLO-AWEZNQCLSA-N 428.872 3.624 0 40 IHAB CCOc1ncccc1C(=O)OCC(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCC2 3345239 FTBYXSHAUWXGTR-UHFFFAOYSA-N 446.525 3.781 0 40 IHAB COc1cc(OC)cc(C(=O)N[C@H](C(=O)Nc2nc3ccc(F)cc3s2)C(C)C)c1 3393782 VMMLVQSLARRBMU-SFHVURJKSA-N 431.489 3.846 0 40 IHAB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)c3ccccc3)o2)c1 3427752 IUYRDWMUWXDAGK-UHFFFAOYSA-N 431.539 3.742 0 40 IHAB COc1ccc2cc([C@@]3(C)NC(=O)N(CC(=O)Nc4cc(C)ccc4C)C3=O)ccc2c1 3450979 QVNWHGVTYCLLKK-RUZDIDTESA-N 431.492 3.871 0 40 IHAB O=C(Nc1cccc2ccccc12)O[C@@H]1CO[C@@H]2[C@@H](NC(=S)Nc3ccccc3)CO[C@H]12 3841735 AXRJHRUJWPUKLV-DXBBTUNJSA-N 449.532 3.910 0 40 IHAB biogenic,in-vitro CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccncc3)cs2)cc1 8663756 IIDCHNVUVBOBQB-UHFFFAOYSA-N 430.555 3.878 0 40 IHAB COCCn1c(SCC(=O)N[C@@H](C)c2ccc(F)cc2)nc2sc(C)c(C)c2c1=O 8769421 FVFZUPKIIBQKSZ-ZDUSSCGKSA-N 449.573 3.830 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCc3ccc(NS(=O)(=O)c4cccs4)cc3C2)cc1 8839963 BGQQSEUGJCIQAG-UHFFFAOYSA-N 448.591 3.604 0 40 IHAB COCCOC(=O)c1c(C)oc2cc(C)c(NS(=O)(=O)c3ccc(OC)cc3)cc12 8870355 BZZWUEFFCPNSNK-UHFFFAOYSA-N 433.482 3.662 0 40 IHAB O=C(COC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)c1ccc(OC(=O)c2ccccc2)cc1 8923276 VYSFZDAABXETQI-FQEVSTJZSA-N 443.455 3.685 0 40 IHAB CCc1ccc(-c2nn(CC(=O)N3CCc4ccccc43)c(=O)c3nc(C)sc23)cc1 8956078 YBXNCAUBBHJGPE-UHFFFAOYSA-N 430.533 3.980 0 40 IHAB CSc1ccccc1NC(=O)CSc1nnc(CC(=O)Nc2ccc(C)cc2)n1C 9263242 SOMSFTLYQUQUIY-UHFFFAOYSA-N 441.582 3.757 0 40 IHAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc(OCc2cn3ccccc3n2)cc1 9319504 PVEAQXKARYMYHJ-OAQYLSRUSA-N 429.476 3.825 0 40 IHAB Cc1ccc(C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c(C)c1 9440030 JCRUKKNAQWKYCG-UHFFFAOYSA-N 436.430 3.954 0 40 IHAB C[C@@]1(c2ccccc2Cl)NC(=O)N(CC(=O)N2CCC(Cc3ccccc3)CC2)C1=O 9545006 NBWMDJKQPSAQIU-DEOSSOPVSA-N 439.943 3.588 0 40 IHAB COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)Cn2nnc3ccccc32)cc1OC 9591162 CJEXNHLWRZQLKH-LJQANCHMSA-N 447.520 3.888 0 40 IHAB COc1cccc(-n2c(SCC(=O)Nc3ccccc3)nc3c(c2=O)SCC3)c1 9602944 NFGGHYMKUSDNLM-UHFFFAOYSA-N 425.535 3.620 0 40 IHAB Cc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2OCC(F)(F)F)cc1 9632226 KJUFZKTXIPSXTJ-UHFFFAOYSA-N 442.459 3.973 0 40 IHAB C[C@@H]1CCN(C(=O)CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c2ccccc2S1 9836728 BDDUEQVGNHQPNM-DNVCBOLYSA-N 448.548 3.548 0 40 IHAB Cc1c(Cl)cccc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Br)cc1 10127256 SWMIVGRCKPHCQK-LLVKDONJSA-N 431.739 3.716 0 40 IHAB COc1ccc(Cl)cc1NC(=O)Cn1nc(-c2ccc(Br)cc2)ccc1=O 10131952 PMJBTTQGKPVSFG-UHFFFAOYSA-N 448.704 3.974 0 40 IHAB C[C@@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)c1cccc(S(C)(=O)=O)c1)OCCO3 10366793 XUEMRKISLRKQMY-MRXNPFEDSA-N 441.549 3.890 0 40 IHAB CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2ncnc3c2cnn3C)sc2c1CCCC2 11678046 ZZWIVLZKIWBINX-LLVKDONJSA-N 445.570 3.600 0 40 IHAB Cc1cccc(-n2ncc3c(O)nc(-n4nc(C)cc4NC(=O)c4cccs4)nc32)c1 11695407 IICYOGMYAOWTHF-UHFFFAOYSA-N 431.481 3.637 0 40 IHAB COc1cc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)ccc1N1CCCC1=O 12077563 UZGJKYWDIRVEBI-UHFFFAOYSA-N 434.471 3.888 0 40 IHAB CCCOc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 12605336 KSOBDRLDQDGIOW-UHFFFAOYSA-N 447.538 3.750 0 40 IHAB C[C@H]1Sc2ccc(C(=O)Nc3ccc4nc(N5CCOCC5)sc4c3)cc2NC1=O 12688929 AIJBBEJGFGTUCW-GFCCVEGCSA-N 440.550 3.818 0 40 IHAB O=C(CSc1nnc(-c2cccs2)o1)N1CCN(Cc2ccc(Cl)s2)CC1 12766017 VMUXBKLXMHWDEB-UHFFFAOYSA-N 441.003 3.950 0 40 IHAB O=C(OCc1nnc(-c2ccccc2)o1)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 12789058 DMPIDAZCWYSIOX-JQZCCEMDSA-N 435.524 3.987 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](C)c3cccc(Cl)c3)C2)s1 12982280 JSRYQVQCNDXVJJ-ZBFHGGJFSA-N 426.991 3.988 0 40 IHAB COCc1nn2c3c(nnc2c1-c1ccccc1OC)C(=O)C[C@H](c1ccccc1OC)C3 13639392 MCHSKQHTZYUJQF-OAHLLOKOSA-N 444.491 3.868 0 40 IHAB CC1CCN(C(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)CC1 13898412 POOBYNKTFXIJKV-UHFFFAOYSA-N 438.952 3.929 0 40 IHAB O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CCC(c2nnc3ccccn23)CC1 14018563 SQAWBWXGYKHGCU-UHFFFAOYSA-N 444.866 3.970 0 40 IHAB COc1cc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc(OC)c1Br 14876940 MUTRBGJZIJYCAB-UHFFFAOYSA-N 446.301 3.516 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)Cc2cc(C(C)=O)ccc2OC)c1 15179759 DDQUZRZBHPGXLS-UHFFFAOYSA-N 446.569 3.726 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)Cc2ccccc2OC)c1 15962050 AXERKCSJIMADMN-UHFFFAOYSA-N 445.585 3.507 0 40 IHAB COCCn1c(SCC(=O)N2[C@@H](C)CCC[C@H]2C)nc2sc3c(c2c1=O)CCCC3 16035547 GEBXDXYHWRRRJJ-GASCZTMLSA-N 449.642 3.865 0 40 IHAB CCCCCCOCCOCCOCCOC[C@H](O)COCCOCCCCCC 16638239 HBKCZGYFJAFFIT-HSZRJFAPSA-N 436.630 3.608 0 40 IHAB C[C@@H](Sc1cc(C(=O)NC2CC2)c2ccccc2n1)C(=O)N1CC(=O)Nc2ccccc21 17276217 ZZBFLAIVIINXRD-CQSZACIVSA-N 446.532 3.593 0 40 IHAB CCOc1cc(CN2C[C@@H](c3cc(=O)[nH]c(C)n3)[C@H](c3ccc(OC)cc3)C2)ccc1OC 19532127 RKMSAJMBKJDSBQ-FCHUYYIVSA-N 449.551 3.877 0 40 IHAB COc1ncc([C@]2(O)CCC[C@@H]3CN(Cc4ccccc4C(F)(F)F)C[C@@H]32)c(OC)n1 19594836 XSBMWMRBOQHPKG-FYINFDKHSA-N 437.462 3.632 0 40 IHAB Cc1c(C(=O)N2CCO[C@H](c3ccc(Cc4cccc(C(F)(F)F)c4)cn3)C2)cnn1C 19692354 OIJHMSRAXVPERH-NRFANRHFSA-N 444.457 3.947 0 40 IHAB Cc1nn(C)cc1C(=O)N1CCC(c2nc(N(C)C)ncc2-c2cccc(Cl)c2)CC1 19695149 NKDOVUOBBWDZFV-UHFFFAOYSA-N 438.963 3.925 0 40 IHAB Cc1cc(C)cc(N2C(=O)N(Cc3cccc(C(F)(F)F)c3)[C@@H]3CS(=O)(=O)C[C@H]32)c1 20581579 RPAQFZZWAXYVRF-RTBURBONSA-N 438.471 3.930 0 40 IHAB Cc1nc(SCC(=O)Nc2cc(Cl)ccc2-n2cncn2)n(C[C@@H]2CCCO2)c1C 21569264 ZJJHXYUWVVTOLV-INIZCTEOSA-N 446.964 3.644 0 40 IHAB Cc1ccc([C@H](C)NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1C 22334739 WISOJRXVIJIPSC-HNNXBMFYSA-N 428.476 3.966 0 40 IHAB O=C(CN1CCN(Cc2csc(-c3ccccc3)n2)CC1)Nc1ccc(F)c(F)c1 22834129 HJEGBZJCNJGFEP-UHFFFAOYSA-N 428.508 3.845 0 40 IHAB Cc1nc2ccc(NC(=O)[C@H](C)Oc3ccc4c(c3)OCO4)cc2c(=O)n1-c1ccccc1 23143731 LGVRDLRAHMKRFZ-HNNXBMFYSA-N 443.459 3.829 0 40 IHAB CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)c2nc3nccc(C)n3n2)c1 23192825 RKUWFAZZYWGMQU-QGZVFWFLSA-N 428.496 3.795 0 40 IHAB C[C@@H](Sc1nccc(C(F)(F)F)n1)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 26480905 GJRJYKCLNHHVNY-VALILCMLSA-N 428.480 3.771 0 40 IHAB O=C(NC[C@@H](c1ccccc1)N1CCOCC1)c1cc(-c2ccco2)nn1-c1ccccc1 30704275 HGEXBQRQHMLIPT-DEOSSOPVSA-N 442.519 3.936 0 40 IHAB O=C(c1ccccc1Cc1ccccc1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 30958411 YTGCLMOOUVLCHH-UHFFFAOYSA-N 438.524 3.563 0 40 IHAB COc1ccc2[nH]cc([C@@H](C(=O)O)N3CCCN(c4ccc(C(F)(F)F)cn4)CC3)c2c1 32103741 GHEYURZWGWGAAM-FQEVSTJZSA-N 448.445 3.928 0 40 IHAB Cc1nc(-c2ccccc2)ccc1C(=O)O[C@@H](C)C(=O)c1ccc(NS(C)(=O)=O)cc1 32842844 NIZQQPDDXXMLTC-INIZCTEOSA-N 438.505 3.857 0 40 IHAB Cc1cccc(C)c1OCc1nnc(SCC(=O)N2CCN(c3ccccc3)CC2)o1 33626417 PKFQEWPZVVGRLW-UHFFFAOYSA-N 438.553 3.706 0 40 IHAB CSc1ccc(/C=C2/SC(=O)N(CCNC(=O)c3ccc(N(C)C)cc3)C2=O)cc1 34896296 SKIVBWAMWXPMFM-XMHGGMMESA-N 441.578 3.941 0 40 IHAB Cn1c(C(F)(F)F)nc2cc(NC(=O)C(=O)NCCc3c[nH]c4ccc(F)cc34)ccc21 36359816 VYKPHDJARRRJEV-UHFFFAOYSA-N 447.392 3.510 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)Cc3ccc(Cl)s3)C2)s1 40047638 KYKOMXCTEPZRCJ-ZDUSSCGKSA-N 433.020 3.831 0 40 IHAB CC(C)NS(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCC2)cc1 40114392 NKFDTUOWJDAWBL-UHFFFAOYSA-N 449.960 3.515 0 40 IHAB CSc1ccc(-c2noc(Cn3ncn4nc(-c5ccc(F)cc5)cc4c3=O)n2)cc1 44170485 UOJKIKZPMWGRML-UHFFFAOYSA-N 434.456 3.517 0 40 IHAB CN(c1cccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c1)S(C)(=O)=O 44886577 ZSYKSJHRBQOIKU-UHFFFAOYSA-N 432.523 3.676 0 40 IHAB COCCCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3ccc(F)cc3)c2c1=O 48989153 UBRJTRIWPNTUGI-UHFFFAOYSA-N 434.471 3.679 0 40 IHAB CC(C)c1ccc(NC(=O)Cn2cnc3nc(N4CCC[C@H](C)C4)sc3c2=O)cc1 67226127 MNTNGEZZTZNTRO-HNNXBMFYSA-N 425.558 3.851 0 40 IHAB Cc1ccc(Sc2nccn3c(=O)n(CC(=O)N[C@@H](C)c4ccccc4)nc23)c(C)c1 67319615 XZRNVGVRQMKGKP-KRWDZBQOSA-N 433.537 3.536 0 40 IHAB COc1ccccc1OCCN1C(=O)[C@@](O)(CC(=O)c2ccc(C)s2)c2ccccc21 68713451 NNZOLOOPVAFVPH-XMMPIXPASA-N 437.517 3.951 0 40 IHAB Cc1nc(=O)c2ccccc2n1C1=CCN(C(=O)c2ccc(Cn3cc(Cl)cn3)o2)CC1 72348226 NODMUTPZPCEZDO-UHFFFAOYSA-N 449.898 3.583 0 40 IHAB CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)c1cccc2c1O[C@H](C)C(=O)N2 79022724 TVJOCIDVNVBXQE-OAHLLOKOSA-N 437.496 3.683 0 40 IHAB CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc(OC)c(OC)c(OC)c1 89977225 AXPCQQSIPRHGRX-LJQANCHMSA-N 428.529 3.545 0 40 IHAB CC[C@@H](C)n1cnc(S(=O)(=O)N(Cc2ccccc2)C[C@H](O)c2cccc(OC)c2)c1 95462019 AKUXIFWXCWERAH-GCJKJVERSA-N 443.569 3.787 0 40 IHAB COc1cccc(-c2ccc3nc(C4CCN(S(=O)(=O)c5ccccc5)CC4)nn3c2)c1 96155775 DCJXQOQHBZPPFV-UHFFFAOYSA-N 448.548 3.973 0 40 IHAB Cc1c(C)c2cc(Cl)c(O[C@@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)cc2oc1=O 100765557 OUONAQFJFXQPST-SOUVJXGZSA-N 435.904 3.838 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)Nc1ccccc1[S@](C)=O 107059275 PPRYZZXXSPCNCJ-WVDZOPJMSA-N 434.583 3.548 0 40 IHAB CCn1c(CNC(=O)c2ccccc2Cl)nnc1SCC(=O)c1ccc(OC)cc1 108060858 GQMCPCRLNGQCJB-UHFFFAOYSA-N 444.944 3.865 0 40 IHAB COC(=O)c1nc(Br)cnc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 114232610 FLEMZRIEIHNVLL-UHFFFAOYSA-N 432.271 3.702 0 40 IHAB CC(=O)OC[C@]12CC[C@H]3[C@@H](C(=O)C[C@H]4C[C@H](OC(C)=O)CC[C@]34C)[C@@H]1C[C@@H](OC(C)=O)C2 123378097 SUMWMGNUBMBBTF-YADPSDQBSA-N 448.556 3.615 0 40 IHAB CC[C@@H]1CCCCN1c1nc(=O)c2c([nH]1)NC(=O)C[C@H]2C(=O)Nc1cccc(Cl)c1C 139120042 GQLWKRQMKWZYLG-ZIAGYGMSSA-N 443.935 3.565 0 40 IHAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CCCOc1ccc(Cl)cc1 216378133 UOLZETWVSDIIOJ-UHFFFAOYSA-N 440.949 3.833 0 40 IHAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1 219967182 NSUGUUAUHMXMBK-NRFANRHFSA-N 442.581 3.953 0 40 IHAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccc(OC)cc1 223968612 RCSWCVUZFLTOBU-MRXNPFEDSA-N 447.373 3.944 0 40 IHAB Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)NCCN(C)c3ccccc3)c2)c1 224142115 VWPLCRQTEKPNMG-UHFFFAOYSA-N 437.565 3.686 0 40 IHAB CC(C)n1c(=O)sc2cc(S(=O)(=O)NCc3ccc(CN4CCCC4)cc3)ccc21 224520757 IOCUFADFFPUPBV-UHFFFAOYSA-N 445.610 3.718 0 40 IHAB COC(=O)c1cc(S(=O)(=O)NCc2ccc(CN3CCCCC3)cc2)ccc1Cl 224535847 YOTHNOXRBHTMJA-UHFFFAOYSA-N 436.961 3.591 0 40 IHAB COC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224613094 PVPXHRBWKVTRHU-UHFFFAOYSA-N 432.325 3.987 0 40 IHAB Cc1ccc(CNC(=S)Nc2nc(Sc3ncccn3)cc(C(F)(F)F)n2)o1 225916578 AMHHBCRLLRSTKO-UHFFFAOYSA-N 426.449 3.825 0 40 IHAB Cc1cc(N2CCC(CNS(=O)(=O)Cc3ccc(C(F)(F)F)cc3)CC2)ccn1 245060731 PYQLZSBHUBTGNC-UHFFFAOYSA-N 427.492 3.745 0 40 IHAB c1ccc(COc2ccccc2CN2CCOC[C@@H](Cc3cn4ccnc4cn3)C2)cc1 257231246 GFXLOLKBROCMOA-QFIPXVFZSA-N 428.536 3.999 0 40 IHAB CC(=O)N1[C@@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)c1sc(N)nc1C 257270060 MSPUCAAYZZDKMT-BPJSAFFHSA-N 438.597 3.649 0 40 IHAB CN(Cc1ccc(OCCF)cc1)C[C@H](O)Cn1c(C(F)(F)F)nc2ccccc21 257296289 RCBSJURUGAFUIU-INIZCTEOSA-N 425.426 3.896 0 40 IHAB O=C(c1ccc(OCCN2CCCC2)cc1)N1CCC[C@@H]1c1cccc(-n2ccnc2)n1 257342783 ZQDQGYIVRQYIAR-HSZRJFAPSA-N 431.540 3.719 0 40 IHAB O=C(NCCCn1ccnc1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 408612171 ULQXZIAPKQWVOI-DEOSSOPVSA-N 434.565 3.520 0 40 IHAB COc1cccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Br)cc2C)c1 408644391 FHSDDHPYBGSETL-UHFFFAOYSA-N 449.301 3.667 0 40 IHAB CCc1ccc(CNC(=O)C(=O)Nc2ccccc2C(=O)NCc2ccc(CC)cc2)cc1 408710103 OTBNBNSOJYJEHN-UHFFFAOYSA-N 443.547 3.996 0 40 IHAB COc1cccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCCC2=CCCCC2)c1 408710178 RHXDZYUAWMLPIH-UHFFFAOYSA-N 435.524 3.570 0 40 IHAB CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=C2/NC(=S)NC2=O)c1Cl 408815809 VBTIPKVUZZEMBX-JXMROGBWSA-N 426.281 3.852 0 40 IHAB COc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)c1OC 409360538 QCJBJKTYKAWGDS-WOJGMQOQSA-N 426.494 3.996 0 40 IHAB Cc1nc2ccccc2n1[C@H]1CCN(C(=O)Cc2ccc(S(=O)(=O)C(C)C)cc2)C1 575414588 MRTWUYYZDMDBJK-IBGZPJMESA-N 425.554 3.543 0 40 IHAB CCCc1cc(C(=O)N2CCN(C)CCCN(C(=O)CC(C)C)c3ccccc3C2)no1 643554058 AABVWLPKWWETOT-UHFFFAOYSA-N 440.588 3.984 0 40 IHAB O=C(CN1CCCCCCOc2ccccc2Oc2ncccc2C1)NCCc1cnc[nH]1 643576668 DEIVJFQVCIGEIA-UHFFFAOYSA-N 449.555 3.711 0 40 IHAB O=C(c1ccc(Cn2cccn2)cc1)N1CCC[C@H]1c1n[nH]c(Cc2ccc(F)cc2)n1 1848353454 KJJFNAQUJOIAKN-NRFANRHFSA-N 430.487 3.757 0 40 IHAB CCc1nnc(NC(=O)CSc2nnc(-c3ccccc3Br)o2)s1 860958 PXQWQXJTWMYXGC-UHFFFAOYSA-N 426.321 3.644 0 40 IHAB O=C(Nc1ccccc1)c1nnn(Cc2ccccc2)c1NCc1ccc2c(c1)OCO2 1430313 NOXYAXJUZHKKJO-UHFFFAOYSA-N 427.464 3.920 0 40 IHAB CCOc1cc([C@H]2NC(=S)N(C)C(C)=C2C(=O)OC)ccc1OCc1ccccc1 1467267 RJQALYGCSNAPAU-OAQYLSRUSA-N 426.538 3.972 0 40 IHAB O=C(COC(=O)c1cccc(Oc2ccccc2)c1)NC(=O)Nc1ccc2c(c1)OCCO2 3393216 CEIPATIPXDWLLE-UHFFFAOYSA-N 448.431 3.755 0 40 IHAB COc1cc([C@H]2OC[C@H]3[C@@H](c4cc(OC)c(OC)c(OC)c4)OC[C@@H]23)cc(OC)c1OC 4897313 HRLFUIXSXUASEX-AHWCRGGASA-N 446.496 3.813 0 40 IHAB biogenic,in-vitro O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 6346720 FRKJKMOIEPINPC-UHFFFAOYSA-N 448.957 3.895 0 40 IHAB COc1ccc(C(=O)N(Cc2ccc(OCC(N)=O)c(OC)c2)C2CCCCC2)cc1 8116741 SHHLJOZXSGKEKF-UHFFFAOYSA-N 426.513 3.543 0 40 IHAB Cc1ccc(C(=O)Oc2coc(CSc3nnc(NC(=O)C4CC4)s3)cc2=O)cc1 8855241 NHDDLLUQIKTIAC-UHFFFAOYSA-N 443.506 3.660 0 40 IHAB C[C@H](CCc1ccccc1)NC(=O)Cn1c2ccccc2c2nc3n(c(=O)c21)CCCS3 8995975 OMDJICCKBVKQFY-QGZVFWFLSA-N 446.576 3.985 0 40 IHAB O=C(NC[C@@H]1CCCO1)c1cn(Cc2cccc(F)c2)nc1OCc1cccc(F)c1 9101611 FVIIWPYKIZIXCM-FQEVSTJZSA-N 427.451 3.697 0 40 IHAB Cc1ccc(C2=NN(C(=O)CN3C(=O)NC4(CCCCCC4)C3=O)[C@@H](c3ccco3)C2)cc1 9126025 UZRUCVLGWLUFDQ-HXUWFJFHSA-N 448.523 3.911 0 40 IHAB CCCOc1ccccc1NCC(=O)NCC(=O)Nc1ccc(Br)cc1C 9154162 QMCUOENKQYCUQZ-UHFFFAOYSA-N 434.334 3.713 0 40 IHAB CC(=O)Oc1ccc(C(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccccc4C)C3)s2)cc1 9198139 MHCQBSDRYWGXFG-MRXNPFEDSA-N 436.493 3.545 0 40 IHAB C[C@H](CCc1ccccc1)NC(=O)CN(C)S(=O)(=O)c1cc(Cl)ccc1Cl 9227398 QIVDBTQDJPGEKO-CQSZACIVSA-N 429.369 3.751 0 40 IHAB CCOc1ccc(C(=O)OCc2nc3ccccc3[n+]([O-])c2C(=O)c2ccccc2)cc1 9307542 QLVMQPHPSDFYJU-UHFFFAOYSA-N 428.444 3.855 0 40 IHAB CN(Cc1ccco1)C(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 9319724 REKMPGJRBKOQQP-UHFFFAOYSA-N 442.493 3.514 0 40 IHAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(OCc2ccccc2)cc1 9495102 ALYJEJIQOJPLJE-UHFFFAOYSA-N 440.521 3.777 0 40 IHAB CCOc1ccc(CC(=O)NCCc2csc3nc(-c4ccc(OC)cc4)nn23)cc1 9568950 ZPWSJNOZZSJDDE-UHFFFAOYSA-N 436.537 3.767 0 40 IHAB O=C(OCCN(C1=NS(=O)(=O)c2ccccc21)c1ccccc1Cl)c1cccnc1 9892731 BYLMJKLQSCKQDX-UHFFFAOYSA-N 441.896 3.548 0 40 IHAB Cc1cccc(-c2nnc(CSc3nnc(N4CCOCC4)n3Cc3ccccc3)o2)c1 9951764 YBTBYEYSAYPPQA-UHFFFAOYSA-N 448.552 3.814 0 40 IHAB CC(C)C(NC(=O)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1)C(C)C 10009335 CKAKGCZNDFOWRS-OAQYLSRUSA-N 430.570 3.581 0 40 IHAB O=C(Nc1ccccc1)C1CCN(C(=O)CSc2nccn2Cc2ccccc2)CC1 10379014 IIFOUKAEFIHJSE-UHFFFAOYSA-N 434.565 3.901 0 40 IHAB O=C(N[C@H]1CCSc2ccc(F)cc21)c1ccc(S(=O)(=O)N2CCCCC2)cc1 10964636 DUCBRYVTBBGDST-IBGZPJMESA-N 434.558 3.967 0 40 IHAB COc1ccc2c(c1)NC1(CCN(C(=O)c3ccc(Cn4cccn4)o3)CC1)c1cccn1-2 12117302 IWDGBNWFETYHDB-UHFFFAOYSA-N 443.507 3.881 0 40 IHAB CC[C@@H](Oc1ccccc1F)C(=O)N1CCC(c2noc(-c3cnc(C)cn3)n2)CC1 12187490 CMQIAJRMGLOQNZ-GOSISDBHSA-N 425.464 3.538 0 40 IHAB Cc1cc(SCC(=O)O[C@H](C)C(=O)NC(=O)NC2CCCCC2)nc2ccccc12 12632557 UQWMUXZJDGOCGE-OAHLLOKOSA-N 429.542 3.726 0 40 IHAB COc1ccc(NC(=O)CN(C)CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 12697899 XKGRJOJNWZVQQK-UHFFFAOYSA-N 429.826 3.876 0 40 IHAB CC(C)Cn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nnc1N1CCOCC1 12738646 OMEKAMSNMMDVTA-UHFFFAOYSA-N 443.495 3.520 0 40 IHAB COc1ccc(-c2nc(C(=O)NCC(=O)Nc3cccc(C)c3C)cs2)cc1OC 12902766 DNUXJRZPKAQCJH-UHFFFAOYSA-N 425.510 3.813 0 40 IHAB CSc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1 12911339 HZQDXISEDZYEMC-UHFFFAOYSA-N 430.595 3.937 0 40 IHAB Cc1cc(-c2ccccc2)nc(SCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)n1 13163695 QSCJPAXGZNLAIL-IBGZPJMESA-N 445.610 3.502 0 40 IHAB Cc1ccc(N(CC(=O)NC2CCCCC2)C(=O)CCC(=O)Nc2cc(C)ccn2)cc1 13503704 VSTJHIOWADHURZ-UHFFFAOYSA-N 436.556 3.899 0 40 IHAB COc1ccccc1N1CCN([C@@H](c2ccc(C)cc2)c2nnnn2Cc2ccco2)CC1 13505045 BKLUUOYELRJBFW-DEOSSOPVSA-N 444.539 3.543 0 40 IHAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCCSc4ccccc43)cc2)C[C@H](C)O1 14227689 LBOACQLDQCQJGL-IRXDYDNUSA-N 446.594 3.627 0 40 IHAB COc1ccc(CNC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 16216795 LFLYYCGTQBPKGT-UHFFFAOYSA-N 444.940 3.860 0 40 IHAB Cc1ccccc1-c1nc2scc(CCNC(=O)C(=O)Nc3cccc(Cl)c3)n2n1 17136112 HKCPKKSZPKBULG-UHFFFAOYSA-N 439.928 3.717 0 40 IHAB Cc1cc(NC(=O)CN(C)[C@H](C)c2ccc(-n3cncn3)cc2)ccc1Br 17305778 GKSMZHGTIRUVMH-OAHLLOKOSA-N 428.334 3.970 0 40 IHAB CC(C)(C)c1cc(C(=O)N2CCO[C@H](c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)[nH]n1 19083661 JDHZIVPKLVIFFP-HNNXBMFYSA-N 449.433 3.990 0 40 IHAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)CC(=O)Nc1cccc2nsnc12 19108748 GZTGXTXOECSUFM-UHFFFAOYSA-N 437.447 3.609 0 40 IHAB Cc1cccc(-c2ccc(C[C@]3(C(N)=O)CN(C(=O)Cc4ccccc4)CCO3)cc2)c1 19235364 NYASKETXONXZLO-HHHXNRCGSA-N 428.532 3.530 0 40 IHAB NC1=Nc2nc3cc4c(cc3n2[C@H](c2cccc(OCc3ccccc3)c2)N1)OCCCO4 19357069 JGFLYBYNSOYBMF-HSZRJFAPSA-N 441.491 3.873 0 40 IHAB COc1ccc(C(=O)c2cn(CC(=O)N[C@@H]3CCOc4ccccc43)c3cnccc23)cc1 19553221 YUHMPUOAVFQTQE-JOCHJYFZSA-N 441.487 3.916 0 40 IHAB COc1ccccc1-c1ccccc1C[C@H]1CN(C(=O)Cc2cccc(F)c2)CCNC1=O 19571783 VHRUILQQBWPBHF-NRFANRHFSA-N 446.522 3.861 0 40 IHAB O=C(NCCO)c1sc2ccccc2c1[C@H]1CN(Cc2ccnc3ccccc23)CCO1 19696788 BWEXXQGHRNWZRU-OAQYLSRUSA-N 447.560 3.745 0 40 IHAB Cc1nnsc1C(=O)N1CCC[C@H](c2ccc(C(=O)Nc3ccc(F)cc3)cn2)C1 19705630 MNBBIFPRXLVWGJ-HNNXBMFYSA-N 425.489 3.653 0 40 IHAB COc1ccccc1CNc1n[nH]c2nc([C@H]3CCCN(C(=O)c4ccccn4)C3)ccc12 19742937 OFUHMOWEZNRJNW-SFHVURJKSA-N 442.523 3.993 0 40 IHAB Cc1ncc(C(=O)N2CCCC[C@H]2c2ncc(C(=O)Nc3ccccc3F)c(C)n2)c(C)n1 19764841 VJVOOCHBPRXHEA-NRFANRHFSA-N 448.502 3.951 0 40 IHAB O=c1cc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c2cc3c(cc2o1)CCCC3 20501992 JFNJOYPKGRZDTO-UHFFFAOYSA-N 432.520 3.718 0 40 IHAB biogenic COc1cc(CN(C(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)C2CC2)ccc1OC(F)F 21600324 NINOPWCYQMTFED-HNNXBMFYSA-N 448.441 3.980 0 40 IHAB Cc1ccc([C@@H](C)NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)c(C)c1 22339632 VJSUZGZFLSSBQJ-OAHLLOKOSA-N 439.375 3.709 0 40 IHAB COc1ccc([C@H](NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)c2nccn2C)cc1 22471139 KKEJFLZLDFBMFG-UGKGYDQZSA-N 447.539 3.578 0 40 IHAB O=C(NCCc1nccn1Cc1ccccc1)c1ccc(Cn2nnc3ccccc32)cc1 26216923 SQSZSXRJYNBQFM-UHFFFAOYSA-N 436.519 3.697 0 40 IHAB Cc1ccc(-c2nnc(CSc3nnc(N4CCCC4)n3C[C@@H]3CCCO3)o2)cc1 31620527 BICDUOUMALIVIR-KRWDZBQOSA-N 426.546 3.708 0 40 IHAB COc1cc(Br)c(OC)c(C(=O)Nc2ccc(N3CCN(C)CC3)c(C)c2)c1 32899088 VSGKFWDDFMRKQQ-UHFFFAOYSA-N 448.361 3.779 0 40 IHAB CCn1c(CNC(=O)c2ccccc2Cl)nnc1SCC(=O)Nc1cccc(C)c1 33714867 ZQPDXLKBCFIFON-UHFFFAOYSA-N 443.960 3.921 0 40 IHAB CCn1c(COc2ccc(C)cc2OC)nnc1SCC(=O)N[C@H]1CCCC[C@H]1C 34764857 WSALOANCIVOJFF-SJORKVTESA-N 432.590 3.981 0 40 IHAB CCn1cc([C@@H](C)NC(=O)c2cc(-c3ccc(OC)cc3)nc3c2c(C)nn3C)c(C)n1 36613229 GDRYJDQMCKLOFY-CQSZACIVSA-N 432.528 3.968 0 40 IHAB O=C(CCn1c2c(sc1=O)[C@@H]1c3ccccc3OC[C@H]1CS2)Nc1ccc(O)cc1 36633791 VYMFJTSLHTXXQL-DJJJIMSYSA-N 440.546 3.890 0 40 IHAB CC1CCN(Cc2nc(N3C[C@H](C(N)=O)CC[C@@H]3C)c3c4c(sc3n2)CCC4)CC1 40135312 RDOMOYQTZHFDBA-JKSUJKDBSA-N 427.618 3.502 0 40 IHAB Cc1cccc(-n2c(SCCn3c(C)nc4ccccc43)nnc2N2CCOCC2)c1 40150623 ZVHDCTWGQPSAPS-UHFFFAOYSA-N 434.569 3.863 0 40 IHAB CNC(=O)[C@H](NC(=O)c1sc(COc2ccc(Cl)cc2)nc1C)c1ccccc1 40151935 FTJDABOZJGYEGV-GOSISDBHSA-N 429.929 3.901 0 40 IHAB O=C(Cn1ccc2c(Br)cccc21)Nc1ccc(CN2CCOCC2)cc1 40288611 LQQWELKCGVBIPR-UHFFFAOYSA-N 428.330 3.875 0 40 IHAB O=C1C[C@H](C(=O)Nc2cc(Cl)ccc2Cl)c2c(nc(Nc3ccccc3)[nH]c2=O)N1 40399243 YROJYHXGBHAHQB-LBPRGKRZSA-N 444.278 3.885 0 40 IHAB Cc1ccc(NC(=O)c2ccc(F)cc2)c(OCc2cc(=O)n3c(ncn3C(C)C)n2)c1 41089812 OQVVAJYUZNDHEE-UHFFFAOYSA-N 435.459 3.751 0 40 IHAB CCOC(=O)c1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)c(Cl)c1 44945883 VGYZSVKFSWMUBN-UHFFFAOYSA-N 431.297 3.794 0 40 IHAB CC(C)(C)[C@@H](NC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cccs1 48250077 OIQOJTBKASBTOK-SFHVURJKSA-N 437.587 3.678 0 40 IHAB CC[C@H](c1nnnn1Cc1ccc(OC)cc1)N1CCN(c2cccc(Cl)c2)CC1 57670908 CJNCXPPEFXCMAS-OAQYLSRUSA-N 426.952 3.657 0 40 IHAB COC(=O)c1cc(OCC(=O)Nc2c(C)cc(C)cc2C)c2cc(OC)c(OC)cc2n1 65033467 YLWIKPPKLNGBPS-UHFFFAOYSA-N 438.480 3.981 0 40 IHAB O=C(NCC(F)(F)F)[C@H]1CSCN1C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 69982400 LMZFDUSUCCLOBP-CYBMUJFWSA-N 447.866 3.508 0 40 IHAB COc1ccc(C2=NC3(CCCCC3)N(CC(=O)Nc3cc(C)ccc3OC)C2=O)cc1 71768976 HZTLDNBSQVEKLX-UHFFFAOYSA-N 435.524 3.943 0 40 IHAB CCc1cc(N2CCOCC2)nc(C2=CCN(C[C@@H](O)c3ccc4ccccc4c3)CC2)n1 72339554 DTQVKVXGIZPSIC-RUZDIDTESA-N 444.579 3.852 0 40 IHAB CN1CCC(CN(C)C(=O)c2cccc(-c3ccc(C[C@H]4CCCNC4=O)cc3)c2)CC1 72356330 FAIVRKZPNGLAJI-XMMPIXPASA-N 433.596 3.836 0 40 IHAB O=c1ccc(-c2ccc(F)c(F)c2)nn1CC1(O)C[C@@H]2CC[C@H](C1)N2Cc1cccs1 72394326 OOLNMHACJVIUIY-NWMVZANLSA-N 443.519 3.808 0 40 IHAB O=S(=O)(Nc1cc(Cl)cc(Br)c1O)c1ccc2c(c1)OCCCO2 79014696 YTPYTNALUFUHSO-UHFFFAOYSA-N 434.695 3.770 0 40 IHAB CC[C@H](C)[C@@H](NC(=O)[C@@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)N1CCCCC1 85420751 GLRBRGKHYINNPQ-NSNOHRKYSA-N 443.613 3.578 0 40 IHAB CCOC(=O)C1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2C(F)(F)F)CC1 85423434 RINXYOMHTJVOCR-UHFFFAOYSA-N 433.370 3.688 0 40 IHAB CC(=O)c1ccc(OCCCC(=O)N[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)cc1 95454151 LOXKOBIOQGWFER-REWPJTCUSA-N 428.916 3.790 0 40 IHAB COC(=O)[C@@H](c1ccccc1Cl)N1CCN(C(=O)Nc2ccc(OC)c(F)c2)CC1 95456138 ZOVRETNZCJFCPJ-LJQANCHMSA-N 435.883 3.552 0 40 IHAB COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O 95471334 CRWQYMRQRZVRIK-HSZRJFAPSA-N 429.476 3.989 0 40 IHAB O=C(OC1CCN(c2nncc3ccccc23)CC1)[C@@H]1CCn2c(cnc2C(F)(F)F)C1 96013444 LBSADQGBCGPWOL-CQSZACIVSA-N 445.445 3.620 0 40 IHAB COc1ccc2cc([C@H]3CC(=O)Nc4ccc5nn(-c6ccccc6)nc5c43)c(=O)[nH]c2c1 96117500 NRPQHQAVESERIP-QGZVFWFLSA-N 437.459 3.745 0 40 IHAB C[C@]12CC[C@@H](C[C@@H]1C(=O)N1CC[C@H](O)[C@H]3CCCC[C@@H]31)[C@]1(C2)NC(=O)c2ccccc2N1 100116001 YQJQGTKZTQTWNK-VGUYAOFTSA-N 437.584 3.517 0 40 IHAB CCC(=O)N1CCc2nc3cc([C@H]4CCCCN4Cc4cccc(F)c4)nn3c(O)c2C1 100233949 FXABUTCFLRHAMB-OAQYLSRUSA-N 437.519 3.596 0 40 IHAB Cc1ccc(-c2noc(CN3N=N[C@@H]4C(=O)N(c5cccc(Cl)c5)C(=O)[C@H]43)n2)cc1C 101277591 VNVKFMKQYAKQTH-ROUUACIJSA-N 436.859 3.500 0 40 IHAB O=C(Cc1ccc(Br)cc1)N1[C@@H]2CC[C@@H]1CC(S(=O)(=O)c1ccccc1)C2 101323041 TUXDVPSGVUPOBM-QZTJIDSGSA-N 448.382 3.988 0 40 IHAB CC1(C)C[C@@H]2C[C@](C)(CN2[C@H](C(=O)O)c2c[nH]c3ccc(NC(=O)/C=C/C(=O)O)cc23)C1 101644304 VZCFUIKILGYNGM-TWBDTLAPSA-N 439.512 3.774 0 40 IHAB COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(SC)c(NC(=O)C(C)C)c2)c1 223017786 UGIIEWWGFZVILY-UHFFFAOYSA-N 436.555 3.899 0 40 IHAB S=C1N[C@H](c2ccccn2)[C@H](c2ccn(-c3ccccc3)c2)N1CCCN1CCOCC1 223206128 YRPHDKCIEBBUQP-RPWUZVMVSA-N 447.608 3.567 0 40 IHAB CCOc1ccc(N(CCCC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)cc1 223239194 BHJXLDMBHIEMMG-SFHVURJKSA-N 444.597 3.998 0 40 IHAB Cc1cc(C)c([C@H](C)NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1C 223467806 JCECOWOTMXUMFK-YWZLYKJASA-N 436.961 3.670 0 40 IHAB COc1ccccc1OC[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 223999411 UMDOPTOQAONSKJ-HNNXBMFYSA-N 446.550 3.755 0 40 IHAB Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)NCCCN3CCC(C)CC3)c2)c1 224139290 HLVDGCNMYAJFBC-UHFFFAOYSA-N 443.613 3.672 0 40 IHAB Cc1cc(N2C[C@@H](C)C[C@@H](C)C2)nc(NC(=S)NCc2ccc3c(c2)OCCO3)n1 226015631 HKOORHHVIZBFPH-GASCZTMLSA-N 427.574 3.525 0 40 IHAB COCCOc1cc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)ccn1 244955809 GANURELKQXBHRY-UHFFFAOYSA-N 431.536 3.654 0 40 IHAB CCNC(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCCN(C(=O)[C@@H]2[C@H]3CCCC[C@H]32)C1 248242330 HPHPOBVJVGHUAR-PSELDJGJSA-N 446.595 3.867 0 40 IHAB Cc1c(C(=O)N2CCC[C@@H](c3ncc(Cc4ccccc4)o3)C2)sc2ncn(C)c(=O)c12 257216194 CTNGJEOUMUUVPG-QGZVFWFLSA-N 448.548 3.902 0 40 IHAB CC(=O)N1CCC(Cc2ccc(F)cc2)(C(=O)N2CCC(Cc3ccncc3)CC2)CC1 257234437 GTNLRUFTGOIALL-UHFFFAOYSA-N 437.559 3.873 0 40 IHAB CCCNC(=O)CCc1c(C)nc2cc([C@H]3CCCCN3Cc3cccnc3)nn2c1C 257307925 TUSYRCLUIDRSIS-HSZRJFAPSA-N 434.588 3.927 0 40 IHAB CCOc1ccc(COC)cc1CN1CCO[C@@H](c2cccc(Nc3cnccn3)n2)C1 257318442 VNXYSPJDYPQRGG-JOCHJYFZSA-N 435.528 3.734 0 40 IHAB CCc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1 408663046 KNRGTDYRRKVERH-UHFFFAOYSA-N 440.496 3.715 0 40 IHAB CCOCCCNC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1 409129260 FYYCBFJIJJLEFY-UHFFFAOYSA-N 438.977 3.695 0 40 IHAB CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1[C@@H](C)NC(=O)c1ccccc1 409131966 QAIUGVZWDXCSQT-CQSZACIVSA-N 427.505 3.659 0 40 IHAB COc1cc(/C=C2/NC(=O)N(C)C2=O)cc(Br)c1OCc1ccc(F)cc1 409193342 JEUOABNXIVTTQE-OVCLIPMQSA-N 435.249 3.698 0 40 IHAB Cc1ccc(NC(=O)Cc2nnc(SCC(=O)Nc3c(C)cc(C)cc3C)n2C)cc1 409333254 RNIKKKYPGSLAHB-UHFFFAOYSA-N 437.569 3.961 0 40 IHAB Cn1c([C@@H](NC(=O)C[C@H]2Oc3ccccc3NC2=O)c2ccccc2)nc2ccccc21 503156356 RNBHJAKSGHUEFB-GGAORHGYSA-N 426.476 3.569 0 40 IHAB O=C(CC1(CN2Cc3ccccc3C2=O)CCCCC1)Nc1ccc2c(c1)OCC(=O)N2 1548349222 AJNNLBKTOKDFOP-UHFFFAOYSA-N 433.508 3.953 0 40 IHAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3cccc(Cl)c3)cc2)nc(C)n1 943970 OGXWBOUVZPOKAG-UHFFFAOYSA-N 446.916 3.565 0 40 IHAB O=C(NC(=S)Nc1ccc(I)cn1)c1ccc2ccccc2c1 1096066 JLPHIOGYUHJKJL-UHFFFAOYSA-N 433.274 3.966 0 40 IHAB O=C(COC(=O)Cn1nnc(-c2ccccc2)n1)Nc1ccccc1Sc1ccccc1 3306120 GOWOTPMRQLLTMC-UHFFFAOYSA-N 445.504 3.673 0 40 IHAB C[C@H](OC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1)C(=O)c1ccccc1 3353270 DQFVGMLTMGFQII-SFHVURJKSA-N 449.528 3.862 0 40 IHAB CC(=O)Oc1ccc(/C=C2/N=C(c3ccccc3I)OC2=O)cc1 3373208 IKQLVNKZDXGVOJ-MHWRWJLKSA-N 433.201 3.561 0 40 IHAB CC(=O)Nc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)cc1 3462505 CNXVTYIFXCCNBZ-UHFFFAOYSA-N 429.542 3.851 0 40 IHAB CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cccc(Cl)c3)cc2)CC1 4121711 CWATUOORIAYHHF-UHFFFAOYSA-N 430.961 3.525 0 40 IHAB CC1=C(C(N)=O)[C@H](c2ccccc2Cl)N2NC(SCc3ccccc3F)=NC2=N1 4574834 XDPGFVIUMIDFTN-KRWDZBQOSA-N 429.908 3.759 0 40 IHAB O=C(COC(=O)c1cc(-c2ccncc2)nc2ccccc12)Nc1ccc2c(c1)OCO2 6191247 JIZJNUXRMDBUDS-UHFFFAOYSA-N 427.416 3.821 0 40 IHAB Cc1cccc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)N3CCCCC3)c(=O)[nH]c12 6444090 KGIJNAMUTSOYHK-JOCHJYFZSA-N 432.503 3.586 0 40 IHAB O=C(CSc1nnnn1-c1cccc(Cl)c1)Nc1ccc(CN2CCCC2)cc1 8882555 ISJDGSNETSXZJK-UHFFFAOYSA-N 428.949 3.642 0 40 IHAB COc1ccc(-c2c(C)oc3cc(OCC(=O)N4C[C@H](C)O[C@@H](C)C4)ccc3c2=O)cc1 8992254 GTZJSVYDWGHYMA-HOTGVXAUSA-N 437.492 3.792 0 40 IHAB biogenic CCNc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)Nc1cccc2ccccc12 9120769 IZMXCPQKZAVBRL-UHFFFAOYSA-N 426.542 3.573 0 40 IHAB CCSc1nnc(NC(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)s1 9218734 CHMKFLLWIVKNRR-UHFFFAOYSA-N 426.523 3.818 0 40 IHAB Cc1nnc2n1N[C@@H](c1ccccc1)[C@@H](C(=O)Nc1ccc(Br)cc1F)S2 9237944 JYKQDGQITFIVOY-HOTGVXAUSA-N 448.321 3.886 0 40 IHAB CCSc1nnc(NC(=O)CSc2nccn2-c2ccc(OC)cc2OC)s1 9517414 KNXAGSHXMUABRC-UHFFFAOYSA-N 437.572 3.584 0 40 IHAB CCCCOc1ccc(C(=O)N(Cc2ccc(OC)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 9556399 NMXPFSNOIPRJOK-HXUWFJFHSA-N 431.554 3.704 0 40 IHAB CCn1cc(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCCC2)c(=O)c2ccc(C)nc21 9644748 XYQRLUAPSYDKKN-HSZRJFAPSA-N 448.567 3.690 0 40 IHAB Cc1ccc(NC(=O)c2cn(C)c3c(=O)n(-c4ccc(Cl)cc4)c(=O)[nH]c23)cc1Cl 9820005 FHRNVLPDCHMIIT-UHFFFAOYSA-N 443.290 3.885 0 40 IHAB CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H]3c3ccccc3)CC2)cc1 9956836 PFKLGEWIERUPQW-QHCPKHFHSA-N 440.565 3.654 0 40 IHAB O=C(/C=C/c1ccc(Cl)s1)NCc1ccc(S(=O)(=O)N2CCCCC2)s1 9989104 CQDAGVVRMCIIAS-VMPITWQZSA-N 431.004 3.967 0 40 IHAB COc1ccc(CNC(=O)c2ccc3c(c2)C[C@H](C)N3S(=O)(=O)c2ccccc2)cc1 10324959 MZDDOLIGWUIRRL-KRWDZBQOSA-N 436.533 3.765 0 40 IHAB O=C(Nc1cc(F)ccc1F)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 11650114 CCSPNOHOOMJMHP-INIZCTEOSA-N 445.285 3.519 0 40 IHAB COc1ccc(NC(=O)c2nc(S(=O)(=O)Cc3ccccc3F)ncc2Cl)cc1 11913889 GGKPEAJKKBQHIV-UHFFFAOYSA-N 435.864 3.504 0 40 IHAB CC(C)(C)c1ccc(S(=O)(=O)N2CCC(O)(Cn3ccc4ccncc43)CC2)cc1 12219952 PWHMBHXWNOGKRC-UHFFFAOYSA-N 427.570 3.550 0 40 IHAB CN(C)c1ncc(-c2ccncc2)c(-c2ccc(CNC(=O)C[C@H]3CCCCO3)cc2)n1 12222397 ZBBLEYDKFJJTLQ-OAQYLSRUSA-N 431.540 3.847 0 40 IHAB COc1ccc(NC(=O)c2ccc(NC(=O)CNc3cccc(C(=O)N(C)C)c3)cc2)cc1 12608625 XVWZULHXISZZGM-UHFFFAOYSA-N 446.507 3.700 0 40 IHAB COC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@@H]1c1c(F)cccc1F 12775315 FJURMUWPNYVGEU-IBGZPJMESA-N 432.448 3.619 0 40 IHAB CS(=O)(=O)N1CCCc2cc(C(=O)Nc3ccc(Br)cc3F)ccc21 12793194 NMXQLJJWUHVBTR-UHFFFAOYSA-N 427.295 3.553 0 40 IHAB CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)c2ccncc2)CC1 12797535 MHUGHTSPSYDVQX-XMMPIXPASA-N 444.535 3.618 0 40 IHAB CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 12993006 BNSPDWRRODNPCN-LJQANCHMSA-N 431.510 3.550 0 40 IHAB COc1ccc(CCNc2nc(C3CC3)nc3c2nnn3Cc2ccccc2)cc1OC 13086633 NTFTXSOGMWDBFA-UHFFFAOYSA-N 430.512 3.819 0 40 IHAB Cc1sc2nc([C@H](C)OC(=O)C[C@H]3Sc4ccccc4NC3=O)[nH]c(=O)c2c1C 13146476 MFLDCOSQJBXJDF-IINYFYTJSA-N 429.523 3.709 0 40 IHAB Cc1ccc(N(C)S(=O)(=O)c2nnc(NC(=O)C34CC5CC(CC(C5)C3)C4)s2)cc1 13370281 JJWCOVXEBBLKCZ-UHFFFAOYSA-N 446.598 3.827 0 40 IHAB Cc1cc(NC(=O)CCC(=O)N(CC(=O)NC2CCCC2)c2ccc(C(C)C)cc2)no1 13505813 ITMJEWUFUZGJSZ-UHFFFAOYSA-N 440.544 3.917 0 40 IHAB CSc1cccc(NC(=O)Cn2c3ccc(F)cc3c3nc4n(c(=O)c32)CCS4)c1 13592162 PIVMEAWDUFABQZ-UHFFFAOYSA-N 440.525 3.957 0 40 IHAB O=C(CCn1c(=O)c2sccc2n(Cc2cccc(F)c2)c1=O)Nc1ccc(F)cc1 13607123 VASSEKFBWMLSEQ-UHFFFAOYSA-N 441.459 3.580 0 40 IHAB CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2)C(c2ccccc2)=NN=3)cc1 13739546 VDJPVRRCEVSUJC-INOOMSPWSA-N 439.540 3.764 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(F)cc3)cc2)cc1 15439067 AZCWSYZPNJTWGG-UHFFFAOYSA-N 430.457 3.653 0 40 IHAB CC[C@H]1CCc2c(sc(NC(=O)COCC(=O)O)c2C(=O)Nc2ccccc2C)C1 17097011 BQBAMIKSJLQGJM-AWEZNQCLSA-N 430.526 3.863 0 40 IHAB CC(C)Cn1c(CCC(N)=O)nnc1SCC(=O)N(c1ccccc1)C1CCCCC1 17275343 QDAPBYCZBUMTAZ-UHFFFAOYSA-N 443.617 3.810 0 40 IHAB Cc1ccc(OCCCC(=O)N2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)c(C)c1 19132784 KRQSVCMIUXHZRV-GBESFXJTSA-N 447.530 3.983 0 40 IHAB COc1cccc(OC)c1OCC(=O)N1CCC[C@H]1c1nc(C)ncc1-c1ccncc1C 19239821 WQCYVGRUWNGHSG-FQEVSTJZSA-N 448.523 3.915 0 40 IHAB O=C(CCC1CCCC1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(Cc1ccncc1)C2 19405373 UQHHVPUNDQGISI-HSZRJFAPSA-N 449.599 3.747 0 40 IHAB CCc1ncc(CN2CCN(CC)C(=O)[C@H](Cc3ccc(-c4cccnc4)cc3)C2)cn1 19523427 JWCITQBSYIIMIL-XMMPIXPASA-N 429.568 3.624 0 40 IHAB COc1cccc(C(=O)N2CCNC(=O)[C@H](Cc3cccc(-c4ccc(F)cc4)c3)C2)c1 19564632 TWLHLWLTCNCPKM-JOCHJYFZSA-N 432.495 3.932 0 40 IHAB COc1cc(C)c(CN2CCN(c3c(F)cccc3[C@@H](O)c3nccn3C)CC2)cc1C 19567367 VCHMGCVBCVPNRH-XMMPIXPASA-N 438.547 3.589 0 40 IHAB COc1cc(CN2CCC[C@@H](c3[nH]ncc3-c3ccnc(N4CCCC4)n3)C2)cc(OC)c1 19595099 UTRJYKDWDFDSKO-LJQANCHMSA-N 448.571 3.864 0 40 IHAB COc1ccc(NC(=O)Nc2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1OC 19633863 QZRKFNFQHZPYGR-UHFFFAOYSA-N 441.509 3.826 0 40 IHAB COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CCCN(C(=O)Cc3c(C)noc3C)C2)c1 19694854 MDGWZKFCJPDAFI-LJQANCHMSA-N 449.555 3.772 0 40 IHAB O=C(CC1(O)CCCCC1)N1CC[C@@H](c2ccc3c(NCc4ccccc4)n[nH]c3n2)C1 19705064 ATCUBIZMHSZHKO-LJQANCHMSA-N 433.556 3.971 0 40 IHAB COc1ccc(OCCc2sc([C@]3(O)CCCN(C(=O)C(C)C)CC3)nc2C)cc1 19738754 KUIAOSBWAKWPJP-QHCPKHFHSA-N 432.586 3.938 0 40 IHAB Cc1nc(C2CCN(C(=O)c3ccncc3)CC2)nc2c1CCCN2Cc1ccccn1 19753044 JXXKDMVLIOHNJD-UHFFFAOYSA-N 428.540 3.548 0 40 IHAB COc1cc(C(=O)Nc2ccc3c(c2)CCN3C(=O)c2cccnc2)cc(OC)c1OC 19819267 WQMKULAGMUFJAG-UHFFFAOYSA-N 433.464 3.563 0 40 IHAB Cc1cc(C)cc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(F)cc2)c1 20007765 DCSASMLOPOVZAR-JOCHJYFZSA-N 426.513 3.971 0 40 IHAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 20245663 QZVLVFQDHAGAPP-UHFFFAOYSA-N 439.537 3.761 0 40 IHAB CC(=O)Nc1ccc(C)cc1-c1nnc(S[C@H](C)C(=O)Nc2ccccc2C)nc1O 21882660 LIWYLEIPZLLROY-CQSZACIVSA-N 437.525 3.939 0 40 IHAB O=C1N[C@]2(CCc3ccccc32)C(=O)N1CC(=O)N(Cc1ccccc1)c1ccccc1 22059480 TZDFZSQTZPJONX-SANMLTNESA-N 425.488 3.613 0 40 IHAB CCOC(=O)c1ccc(N(Cc2cccnc2)C(=S)NC(=O)c2cccc(OC)c2)cc1 22528534 LNXLLTQMKJAXKD-UHFFFAOYSA-N 449.532 3.988 0 40 IHAB COc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)N2CCc3ccccc3C2)cc1 22767470 ZRIXUQQZNWNPIC-JOCHJYFZSA-N 428.579 3.835 0 40 IHAB CN1CCN([C@@H](c2ccc(Cl)cc2)c2sc3nc(-c4ccco4)nn3c2O)CC1 22798433 LIPMSUGRAFRPRI-INIZCTEOSA-N 429.933 3.747 0 40 IHAB CCn1c(S[C@H](C)C(=O)NC[C@@H]2CCCO2)nc2scc(-c3ccccc3)c2c1=O 23079944 IYLNXCOAEWILIJ-ZBFHGGJFSA-N 443.594 3.921 0 40 IHAB O=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 23175171 AKJJRBWCDJGCJC-NYKZCTJWSA-N 449.639 3.975 0 40 IHAB Cc1ccc(C)c(NC(=O)[C@H](C)Sc2nnc(-c3cccs3)n2CCC(N)=O)c1 24925220 XOKJMQZRXCWBCV-AWEZNQCLSA-N 429.571 3.618 0 40 IHAB Cn1c(COc2ccccc2Cl)nnc1SCC(=O)N[C@H]1CCOc2ccccc21 27126142 RSCABBAZJHGGHF-INIZCTEOSA-N 444.944 3.780 0 40 IHAB COc1ccccc1[C@@H](CNC(=O)c1cc(=O)c2ccc(Br)cc2o1)N(C)C 28288208 FKZAJAMMVYXVNV-MRXNPFEDSA-N 445.313 3.597 0 40 IHAB O=C1c2ccc(Br)cc2C(=O)N1CCCC(=O)N(Cc1ccco1)C1CC1 29011768 IRRYWGMSXRLNQX-UHFFFAOYSA-N 431.286 3.610 0 40 IHAB COC(=O)c1ccc(CN(C)C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)cc1 30513918 YMPUTCNJQFBQIZ-UHFFFAOYSA-N 449.956 3.872 0 40 IHAB COc1ccc(S(=O)(=O)Nc2cnn(COc3ccc(F)cc3Cl)c2)cc1OC 32501701 URELTEUTQAHACF-UHFFFAOYSA-N 441.868 3.530 0 40 IHAB CCOc1cc(C(=O)OCc2cc(=O)n3ccc(C)cc3n2)cc(Br)c1OC 32666685 ABLPWPISGXBKNL-UHFFFAOYSA-N 447.285 3.530 0 40 IHAB Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N1CCN(C(=O)N2CCCCC2)CC1 32900279 UGXKWLMFRZNKRP-UHFFFAOYSA-N 443.979 3.565 0 40 IHAB CCC[C@@H](c1nnnn1C[C@H]1CCCO1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 35292042 NABWEXVFVVDHOX-MOPGFXCFSA-N 438.498 3.534 0 40 IHAB Cc1ccsc1CN(Cc1ccco1)C(=O)C1=C(c2ccccc2)S(=O)(=O)CCO1 35673220 NUOIXGLQRILOEY-UHFFFAOYSA-N 443.546 3.992 0 40 IHAB Cc1cc(S(=O)(=O)N2CCN(c3nc4ccccc4[nH]3)CC2)c(Cl)cc1Cl 38556334 YOZMZMHFQBEDNC-UHFFFAOYSA-N 425.341 3.689 0 40 IHAB COCc1nn2c(c1-c1ccccc1)N=C(O)C[C@H]2C(=O)Nc1ccc(OC)c(OC)c1 49549107 QRJVKLKJEZULOE-KRWDZBQOSA-N 436.468 3.885 0 40 IHAB COc1ccc([C@@H](C)NC(=O)c2nnn(-c3ccc(Br)cc3)c2C)cc1OC 51318019 YXYMBRXNYGQXSZ-GFCCVEGCSA-N 445.317 3.846 0 40 IHAB CCCC[C@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(c2nc3ccccc3s2)CC1 57670404 JEFGPYFULQYDPK-PKOBYXMFSA-N 441.605 3.515 0 40 IHAB COc1cc(CCC2CCN(C(=O)CCn3c(=O)oc4ccccc43)CC2)cc(OC)c1 62580643 VMUULVCUTADZCH-UHFFFAOYSA-N 438.524 3.873 0 40 IHAB O=S(=O)(Cc1ccccc1)N1CCC2(CC1)C[C@@H]2c1nnc(-c2cccc(F)c2)o1 71890646 OVDYCVABMRVCIH-LJQANCHMSA-N 427.501 3.975 0 40 IHAB Cc1c(C)n(Cc2ccccc2)c2ncnc(OC3CCN(CC(=O)NC(C)(C)C)CC3)c12 72335987 SAUQEJHSCFMBSU-UHFFFAOYSA-N 449.599 3.854 0 40 IHAB COc1ccc(CN2CCC([C@@H](NC(=O)c3ccccn3)c3ccccn3)CC2)cc1OC 72398547 ZGZQOUKNKVFHNU-RUZDIDTESA-N 446.551 3.877 0 40 IHAB O=C(COc1coc(CN2CCCCCC2)cc1=O)Nc1cccc(Br)c1 72406483 VLUNDNBEUGKZGJ-UHFFFAOYSA-N 435.318 3.796 0 40 IHAB OC[C@@H](O)CSc1nnc(CSc2nc3ccccc3s2)n1Cc1ccccc1 78739184 UHZPZPSAZGRFAC-OAHLLOKOSA-N 444.607 3.674 0 40 IHAB COc1ccc(C(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@H]2c2ccccc2)cc1 95480729 BEXWLJHQHHUACB-ZEQRLZLVSA-N 428.488 3.605 0 40 IHAB CC(C)n1nnc(-c2ccc(C(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)cc2)n1 96231726 ZJWZADVOHVZMRT-UHFFFAOYSA-N 425.920 3.698 0 40 IHAB CC[C@@H]1C(=O)N(c2ccc(C)cc2)C(=O)[C@H]2C(=O)Oc3ccc(Br)cc3[C@@H]12 100144718 JYGFBQOMAKQUPL-QGTPRVQTSA-N 428.282 3.976 0 40 IHAB CCN(CC)C(=O)c1cnc(C)nc1[C@H]1CC[C@H](CNC(=O)CC[C@@H]2CCCO2)CC1 100205082 RHCUZDBTCQUSDP-ZCNNSNEGSA-N 430.593 3.616 0 40 IHAB O=C(Nc1cccc(Cl)c1)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 102086605 BRUQSFDXZJCSQY-FNGVLVINSA-N 446.934 3.943 0 40 IHAB CN(C(=O)[C@@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1)C1CCCC1 216300439 WKJUEOJFEZRFMD-CQSZACIVSA-N 433.401 3.936 0 40 IHAB COc1ccc(OC)c(N([C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)S(C)(=O)=O)c1 220216661 TWUYTYKRCAZGRW-GFCCVEGCSA-N 446.447 3.516 0 40 IHAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(OC)cc1 222876611 VIMLZZCWERSRIZ-RUZDIDTESA-N 446.547 3.632 0 40 IHAB CCN(Cc1nc(-c2cccs2)no1)S(=O)(=O)Cc1cccc(Br)c1 223657122 WCLVKHGUYJFQSR-UHFFFAOYSA-N 442.360 3.913 0 40 IHAB CCc1ccc(N([C@@H](C)C(=O)Nc2nnc(-c3ccc(C)cc3)s2)S(C)(=O)=O)cc1 225738741 SBYGSBGLFHSIEZ-HNNXBMFYSA-N 444.582 3.869 0 40 IHAB S=C(Nc1nc(N2Cc3ccccc3C2)cc(N2Cc3ccccc3C2)n1)NC1CC1 226004066 TYUAEICIHCBKCW-UHFFFAOYSA-N 428.565 3.966 0 40 IHAB COc1ccc(-c2cccc(C[C@@H]3C(=O)NCCN3C(=O)c3cc(C(C)(C)C)n[nH]3)c2)cc1 257300797 RVSPVQGFHXYLQN-JOCHJYFZSA-N 446.551 3.566 0 40 IHAB CC(C)n1nccc1[C@H]1CN(Cc2ccoc2)C[C@]12CCCN(Cc1cccnc1)C2=O 306139343 SUZGQITZZNJPKZ-RCZVLFRGSA-N 433.556 3.860 0 40 IHAB COc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)cc1 408658158 IARBBZLHVPRADE-UHFFFAOYSA-N 425.268 3.903 0 40 IHAB COC(=O)c1ccc(NC(=O)COC(=O)CN(Cc2ccccc2)Cc2ccccc2)cc1 408669183 NCQYFSLMSYJUHO-UHFFFAOYSA-N 446.503 3.657 0 40 IHAB COC(=O)c1ccc(NC(=O)c2cccc(NC(=O)c3ccc(OC)c(OC)c3)c2)cc1 408685482 QUPGZIPHRJSAAI-UHFFFAOYSA-N 434.448 3.995 0 40 IHAB O=C(NCCSCc1ccccc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 408702660 NFACMPAXBMKQLZ-UHFFFAOYSA-N 439.002 3.788 0 40 IHAB O=C(COC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)Nc1ccc(Cl)c(C(F)(F)F)c1 409134025 VHYXDOXUBIVZQO-LBPRGKRZSA-N 440.805 3.894 0 40 IHAB O=C(CCn1ccnc1)Nc1cccc(C(=O)Nc2ccc(CCN3CCCC3)cc2)c1 516674459 GNUXZWDGDJOPKY-UHFFFAOYSA-N 431.540 3.803 0 40 IHAB Cn1cc([C@H]2CN(C(=O)[C@H]3CCCN3c3nc4ccccc4o3)Cc3ccccc32)cn1 585410076 VGUKLXDNNHYBKM-IFMALSPDSA-N 427.508 3.704 0 40 IHAB Cc1cc2cc(CN(C[C@H]3CCCO3)S(=O)(=O)c3ccc(F)cc3)c(=O)[nH]c2cc1C 923877 VKWRAHFCDYKQIY-HXUWFJFHSA-N 444.528 3.654 0 40 IHAB CCOC(=O)c1ccc(N2C[C@@H](C(=O)O[C@H](C)C(=O)c3ccc(Cl)cc3)CC2=O)cc1 993314 LLEWEBVHCCNZHP-PBHICJAKSA-N 443.883 3.684 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)N(C)Cc2ccccc2)Cc2ccccc2)cc1 1102992 VYXAQFIQJHEAIG-UHFFFAOYSA-N 438.549 3.545 0 40 IHAB O=C(O)[C@H]1CC=CC[C@@H]1C(=O)N1CCN(c2nc(-c3ccccc3)c3ccccc3n2)CC1 1244918 LIGOIMAYYOHCSW-PMACEKPBSA-N 442.519 3.612 0 40 IHAB CC(=O)c1ccc(NC(=O)CN2CCC(n3nnc4cc(C(F)(F)F)ccc43)CC2)cc1 1380600 KAGAOVLJMAZDAM-UHFFFAOYSA-N 445.445 3.928 0 40 IHAB CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN(C)C)cc1OC 2428838 PDISTKGNIJDHEZ-JOCHJYFZSA-N 436.508 3.697 0 40 IHAB C[C@@H]1CCc2sc(C(=O)OCC(=O)Nc3cc(S(C)(=O)=O)ccc3Cl)cc2C1 3383673 QPGKRECVOLTPIV-LLVKDONJSA-N 441.958 3.725 0 40 IHAB COc1ccccc1Nc1nnc(SCC(=O)NCc2ccc(OC)c(OC)c2)s1 3494340 QSGSCCOJVDCBLC-UHFFFAOYSA-N 446.554 3.716 0 40 IHAB COc1ccc(-c2noc(CN(C(=O)COc3cccc(C)c3)C(C)C)n2)cc1OC 4943626 ODADFTMZQQYGAY-UHFFFAOYSA-N 425.485 3.878 0 40 IHAB CCc1cccc(N(C(=O)c2csnn2)[C@@H](C(=O)NC2CCCC2)c2cccnc2)c1 6284363 DFOQEDMIKUPMJV-OAQYLSRUSA-N 435.553 3.942 0 40 IHAB COc1ccc(C(C)=O)cc1CSc1nnc(N2CCOCC2)n1-c1cccc(C)c1 8709335 BLQSNYISOBMOQT-UHFFFAOYSA-N 438.553 3.916 0 40 IHAB NC(=O)c1ccsc1NC(=O)CSc1ncc(-c2ccc(Br)cc2)[nH]1 8724159 XSKHHAAXXQKPEH-UHFFFAOYSA-N 437.344 3.730 0 40 IHAB COc1ccc(CNC(=O)[C@H](C)OC(=O)CSc2nccn2-c2ccccc2C)cc1 8724487 QTYQPNRYQYJXQG-KRWDZBQOSA-N 439.537 3.530 0 40 IHAB CCCn1c(SCc2nc(N)nc(Nc3ccccc3C)n2)nnc1-c1ccncc1 8824000 SZALAMFFRNVSEE-UHFFFAOYSA-N 433.545 3.862 0 40 IHAB COc1ccc(-c2nonc2NC(=O)COc2ccc(Br)cc2)cc1OC 8915188 KPRFDWSTCKTZFS-UHFFFAOYSA-N 434.246 3.534 0 40 IHAB CCOC(=O)C[C@H](NS(=O)(=O)c1cc(Cl)ccc1OC)c1ccccc1Cl 8955714 QVOVFLBJPHSGSE-HNNXBMFYSA-N 432.325 3.975 0 40 IHAB CCn1c(SCC(=O)Nc2cc(F)ccc2C)nnc1[C@H](C)NC(=O)c1ccccc1 9305630 KOHOWIJLHXKVCE-HNNXBMFYSA-N 441.532 3.967 0 40 IHAB O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)Nc1ccc(N2CCCCC2)cc1 9321744 YZBSINUZQQCLNK-UHFFFAOYSA-N 430.434 3.988 0 40 IHAB Cc1ccc([C@]23CCC(=O)N2[C@H](C(=O)Nc2ccc4c(C)cc(=O)oc4c2)CS3)cc1 9509600 WCBBGLPOSVFRTK-YADARESESA-N 434.517 3.939 0 40 IHAB O=C(CSc1nnc(CNC(=O)c2ccccc2)o1)Nc1ccc(C(F)(F)F)cc1 9518559 FSFHEINQVCTUJZ-UHFFFAOYSA-N 436.415 3.749 0 40 IHAB CCOc1cc(C(=O)OCC(=O)Nc2ccc(N(C)C)cc2)cc(OCC)c1OCC 9580048 NSYQIBCLTCVUOM-UHFFFAOYSA-N 430.501 3.744 0 40 IHAB Cc1ccc2c(CC(=O)Nc3ccc(Cl)c(S(=O)(=O)N4CCOCC4)c3)coc2c1 9684506 GWNDBBIPWMXTGD-UHFFFAOYSA-N 448.928 3.597 0 40 IHAB Cc1ccc(Cn2c(=O)c3c(nc4n(-c5cccc(C)c5C)c(C)c(C)n34)n(C)c2=O)cc1 10271872 VMUWOWKJQMHEFV-UHFFFAOYSA-N 441.535 3.729 0 40 IHAB Cc1ccnc(Nc2ccc(N3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)nn2)c1 11696898 LHYZUSVYTMSAGC-UHFFFAOYSA-N 442.445 3.905 0 40 IHAB CC(C)c1nccn1CCC(=O)N1CCC[C@H](c2nc3ccc(F)cc3cc2C(N)=O)C1 12088386 KISQEZNCYCPTSE-INIZCTEOSA-N 437.519 3.589 0 40 IHAB Cc1cccc2sc(N(CCCN(C)C)C(=O)CCS(=O)(=O)c3ccccc3)nc12 12140968 VFPQTKCMEUCEOP-UHFFFAOYSA-N 445.610 3.753 0 40 IHAB O=C(O)COc1ccccc1[C@@H]1Nc2ccccc2C(=O)N1Cc1ccc2c(c1)OCO2 12542083 QVCUVPLSNPPECS-HSZRJFAPSA-N 432.432 3.645 0 40 IHAB COc1cc(NC(=O)CN2CCC(C(=O)Nc3ccccc3)CC2)c(OC)cc1Cl 12741286 LLWOIAQDPQDWII-UHFFFAOYSA-N 431.920 3.646 0 40 IHAB O=C(NCCCc1ccccc1)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 12754152 PFANLXQGNWZILI-UHFFFAOYSA-N 438.952 3.629 0 40 IHAB C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)c1ccccc1Cl 12755625 OCOIMTNXWJMRQU-LBPRGKRZSA-N 448.397 3.832 0 40 IHAB C[C@H](C(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 12787413 UPNLMSNJAIQOAC-GTFPLQCESA-N 440.543 3.740 0 40 IHAB C[C@H]1C[C@H](C)CN(C(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)C1 12815666 BOKBCNPWKGMGPN-GJZGRUSLSA-N 432.508 3.611 0 40 IHAB COc1cc2c(cc1OC)CN(C(=O)COc1cc(C)cc3oc(=O)c(C)c(C)c13)CC2 12899918 FJTSASPRTIHUFB-UHFFFAOYSA-N 437.492 3.699 0 40 IHAB biogenic O=C(Nc1ccc(OCC(F)(F)F)cc1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 12924305 NOQHCUJRNJFIHL-ZDUSSCGKSA-N 448.488 3.729 0 40 IHAB CCOC(=O)C[C@H](c1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 12933854 LTHKRJXYIWPQMI-JOCHJYFZSA-N 449.544 3.972 0 40 IHAB O=C(/C=C/c1ccc2c(c1)OCCO2)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 12971524 VYUMURVAFOYZAL-FNORWQNLSA-N 432.442 3.834 0 40 IHAB COc1ccc(C(C)=O)c(OC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)c1 13059745 NBXQZIQUHQYXJS-HOTGVXAUSA-N 445.537 3.784 0 40 IHAB C[C@@H](NC(=O)CSc1nnc(-c2ccc(F)cc2)n1N)c1ccc2c(c1)CCCC2 13115028 YYAAARMUYMWFFP-CQSZACIVSA-N 425.533 3.646 0 40 IHAB CCn1c(CC(=O)Nc2ccc(C)cc2)nnc1SCC(=O)Nc1c(F)cccc1F 13956611 WUUOEGIHRXSSMO-UHFFFAOYSA-N 445.495 3.797 0 40 IHAB O=C(C[C@@H]1CCNC[C@@H]1Cc1cc(COc2ccccc2)on1)NCc1ccc(F)cc1 15673573 JLDPQUOSTZSJDZ-PMACEKPBSA-N 437.515 3.867 0 40 IHAB biogenic,in-vitro CSCC[C@@H](C(=O)N(C)CCOc1ccc(Cl)cc1)N1C(=O)c2ccccc2C1=O 15990746 CLZDRZIXVWAGAL-IBGZPJMESA-N 446.956 3.595 0 40 IHAB Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(OCC(=O)N[C@@H](C(=O)O)C(C)C)ccc12 16032421 ZBHYAQOBUPPMOP-JOCHJYFZSA-N 437.492 3.605 0 40 IHAB biogenic Cc1nc2scc(C)n2c(=O)c1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1Cl 16363228 UPKYCQOCMQKYHV-UHFFFAOYSA-N 437.852 3.846 0 40 IHAB Cc1ccc2c(CC(=O)Nc3ccc(S(=O)(=O)Nc4nccc(C)n4)cc3)coc2c1 16752995 WBKYVKJCGKVFSU-UHFFFAOYSA-N 436.493 3.822 0 40 IHAB Cn1c(SCC(=O)NCc2ccccc2Cl)nc2c(-c3ccccc3)c[nH]c2c1=O 16840945 QWVCEEGUSXBHRT-UHFFFAOYSA-N 438.940 3.991 0 40 IHAB O=C(C1CCN(c2ccc(C(F)(F)F)cn2)CC1)N1CCN(Cc2cccs2)CC1 18147753 QGTUTXPODMWMCD-UHFFFAOYSA-N 438.519 3.723 0 40 IHAB COc1ccccc1CC(=O)N[C@@H](c1cc(O)n2nc(-c3cccnc3)cc2n1)C(C)C 19445501 VVHACZTVACQVJU-XMMPIXPASA-N 431.496 3.562 0 40 IHAB Cc1ncccc1C(=O)N1CCc2nc(N3CCCC3)nc(Nc3cccc(F)c3)c2C1 19582933 GDIBCNODZUWTSL-UHFFFAOYSA-N 432.503 3.861 0 40 IHAB CO[C@@H]1CCC[C@H](C(=O)N2CCC[C@@H](c3nc(=O)c4c5c(sc4[nH]3)CCCC5)C2)C1 19592617 TUONCFBTWJOUTN-ARFHVFGLSA-N 429.586 3.775 0 40 IHAB Cc1c(C(=O)N2CCO[C@H](c3nccnc3-c3ccc(C(N)=O)cc3)C2)oc2ccccc12 19693115 XZVOYSCLFQUAOX-FQEVSTJZSA-N 442.475 3.511 0 40 IHAB Cc1nc([C@@H]2CCCN(Cc3cccc(Oc4ncccn4)c3)C2)nc2c1CCC(=O)N2C 19741484 QUEPRSXUWRUVMH-LJQANCHMSA-N 444.539 3.656 0 40 IHAB Cc1nc(N)c2ccc([C@H]3CCCN(C(=O)c4cccc(N5CCCCC5)c4)C3)nc2n1 19743508 NMZIKWZJIBMLNW-IBGZPJMESA-N 430.556 3.926 0 40 IHAB COc1cccc(CN2C(=O)Cc3c(C)nc([C@@H]4CCCN(C(=O)CC(C)C)C4)nc32)c1 19744551 QQEHZWRUQGYFFK-LJQANCHMSA-N 436.556 3.635 0 40 IHAB O=C(C[C@H]1C(=O)N(Cc2ccco2)c2nc3ccccc3n21)Nc1ccc2c(c1)OCCO2 19817631 RFMJRWIOWZQVRV-IBGZPJMESA-N 444.447 3.517 0 40 IHAB O=C(NCCCc1ccc(F)cc1)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 20107140 QRFVMSJCXZWTFP-JOCHJYFZSA-N 446.588 3.549 0 40 IHAB CCOc1cccc2c(C)nc(Nc3nc(-c4ccc(OC)c(OC)c4)cc(=O)[nH]3)nc12 20634015 HDTPHQMNKYJVFW-UHFFFAOYSA-N 433.468 3.848 0 40 IHAB Cc1ccc(N2C[C@@H](c3nnc(NC(=O)c4ccc(Br)cc4)o3)CC2=O)cc1 21777937 RXZQYLRCBVPTRM-AWEZNQCLSA-N 441.285 3.913 0 40 IHAB COc1cc(OC)cc(-c2nnc(SCCCN3C(=O)c4ccccc4C3=O)o2)c1 24845193 LOBMDOFEMNJCSB-UHFFFAOYSA-N 425.466 3.532 0 40 IHAB Cc1ccc(CN(C)C(=O)CN2CCN(Cc3ccc(Br)s3)CC2)cc1 24971309 CHFPGLDLHLLFEH-UHFFFAOYSA-N 436.419 3.595 0 40 IHAB COc1ccc([C@@H](CNC(=O)c2cnn(-c3ccccc3)c2C2CC2)N2CCOCC2)cc1 30522238 HZVICQUAESDHKG-XMMPIXPASA-N 446.551 3.562 0 40 IHAB COc1ccc(C)cc1CN1CCN(C(=O)NCc2ccc(NC(=O)C(C)C)cc2)CC1 30991984 DJCLNQQKBIARGS-UHFFFAOYSA-N 438.572 3.626 0 40 IHAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)CN(C)C[C@H]2COc3ccccc3O2)cs1 31184141 CBHPERGYFDYONB-IBGZPJMESA-N 435.549 3.779 0 40 IHAB COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2cc(OC)ccc2OC)C12CCCC2 32073137 YPDMBICRBPMWIE-QFIPXVFZSA-N 438.524 3.841 0 40 IHAB Cc1cccc(C(=O)N[C@@H](C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)C(C)C)c1 32788307 CRROOBNBPOOBLV-HSZRJFAPSA-N 435.568 3.692 0 40 IHAB COc1ccc(N2C[C@H](C(=O)N3CCC(c4c[nH]c5ccccc45)CC3)CC2=O)c(OC)c1 32882676 OWTVWNGHWVMNRQ-GOSISDBHSA-N 447.535 3.944 0 40 IHAB CC1CCN(c2ccccc2CNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1 36614515 RETQGHPMEWKYHP-UHFFFAOYSA-N 427.570 3.528 0 40 IHAB CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)Nc1ccc(OC(F)(F)F)cc1 40287558 GZRDHFDAGWBNAW-HXUWFJFHSA-N 433.386 3.523 0 40 IHAB Cc1cn2c(=O)cc(COc3ccccc3NC(=O)COc3ccccc3F)nc2s1 41085752 OFFRZTGANXLQFU-UHFFFAOYSA-N 439.468 3.800 0 40 IHAB COc1ccc(S[C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC 44900243 TULRHQZCIMKBEB-OAHLLOKOSA-N 427.526 3.621 0 40 IHAB O=C(Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2ccccc21)Nc1cccc(Cl)c1 51357810 WUXORDUQKRSBQK-UHFFFAOYSA-N 437.858 3.643 0 40 IHAB CCOC(=O)[C@H]1CCCN([C@@H]2CC(=O)N(c3ccccc3Sc3ccccc3)C2=O)C1 57256237 KNPYMOWDLIKHOY-FXAWDEMLSA-N 438.549 3.745 0 40 IHAB COc1ccc(OC)c(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)c1 58110542 UWMPNORNEPTSJO-UHFFFAOYSA-N 430.457 3.896 0 40 IHAB C[C@H](C(=O)Nc1cccc2ccccc12)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1 58225055 LVYUNTPDTDPJFF-QGZVFWFLSA-N 427.508 3.501 0 40 IHAB Cc1cc(C)c(NC(=O)Cn2c(-c3cccc(Cl)c3)nc(C)c(CCO)c2=O)c(C)c1 67301608 DLQKSBAAOOTZJU-UHFFFAOYSA-N 439.943 3.971 0 40 IHAB CCOc1ccc(-c2nc(CN3C(=O)c4ccccc4S3(=O)=O)cs2)cc1OC 68937406 MBJWFSRFWNLEGX-UHFFFAOYSA-N 430.507 3.562 0 40 IHAB CCOc1ccc(NC(=O)Cn2c3ccc(OC)cc3c3[nH]c(=S)n(C)c(=O)c32)cc1 71328589 RNODTKIRGCYQCF-UHFFFAOYSA-N 438.509 3.597 0 40 IHAB Cc1nn(C)c(C)c1C(=O)C(=O)N(Cc1ccc2c(c1)OCO2)[C@@H]1CCC[C@@H](C)[C@@H]1C 72046899 OIEOGNFCVSHFHM-ZRGWGRIASA-N 425.529 3.802 0 40 IHAB CCN(CC(=O)Nc1ccccc1OC)C(=O)[C@H](CNC(=O)OC(C)(C)C)CC(C)C 79056724 URNIHNSOAVPIAN-KRWDZBQOSA-N 435.565 3.669 0 40 IHAB CCS(=O)(=O)c1ccc(C(=O)Nc2cnc(Br)c(Br)c2)cc1 79098115 WVLDDYHDFBQUCL-UHFFFAOYSA-N 448.136 3.653 0 40 IHAB Cc1cc(NC(=O)/C=C(/c2ccc(Cl)cc2)C(F)(F)F)n([C@H]2CCS(=O)(=O)C2)n1 84101964 JRVDVPQXXCEHAH-BUYRESAOSA-N 447.866 3.789 0 40 IHAB CCOC(=O)c1sc2nc(C)nc(N3CCC(C(=O)N4CCC[C@@H](C)C4)CC3)c2c1C 84795585 UTQUVGNEULOPIQ-CQSZACIVSA-N 444.601 3.960 0 40 IHAB Cc1ccc(OC2CCN(C(=O)[C@@H](NC(=O)c3ccc(Cl)cc3)C(C)C)CC2)nc1 95464896 OGOYTJMJQWCEGG-NRFANRHFSA-N 429.948 3.868 0 40 IHAB Cc1ccc(C(=O)N2CCC[C@@H](C(=O)NCc3cc(Cl)c4c(c3)OCCO4)C2)cc1 97259680 BJLDMEHICOQIFS-GOSISDBHSA-N 428.916 3.588 0 40 IHAB COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)ccc1O 100977233 QVKLBFGOEMTFQC-VJBWXMMDSA-N 430.460 3.760 0 40 IHAB O=C1[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1nn(Cc2ccc(Cl)cc2Cl)cc1Cl 102639921 AYJQHBAMAZERGP-KBXIAJHMSA-N 426.687 3.558 0 40 IHAB C[C@H](NC(=O)CSc1nnc(Cc2cccc3ccccc23)n1N)[C@H]1C[C@H]2CC[C@H]1C2 108824060 ZMVFODQCPLMNCM-ZFDALGJYSA-N 435.597 3.769 0 40 IHAB CCOc1cc(/C=C2\SC(=O)N(c3ccccc3OC)C2=O)ccc1OCC(=O)O 210460067 SDUKXCNLBXMYSJ-WQRHYEAKSA-N 429.450 3.798 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1 216355632 ALLLATQUFXBITK-CQSZACIVSA-N 438.933 3.539 0 40 IHAB Cc1cccc(N([C@H](C)C(=O)NCCCc2ccc(OC(C)C)cc2)S(C)(=O)=O)c1 220144551 URDBGTIGUGZQSI-LJQANCHMSA-N 432.586 3.686 0 40 IHAB COc1ccc(CCNC(=O)[C@@H](C)N(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1 220248864 JWQAWBJCQLJJDZ-CYBMUJFWSA-N 445.368 3.515 0 40 IHAB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](CC)N(c2cc(C)ccc2C)S(C)(=O)=O)c1 220550251 IQUIGNSVQISUTD-HXUWFJFHSA-N 446.569 3.972 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)c3ccc(C)c(C)c3)C2)cc1C 222533288 QZHBVKLAYJCXFG-LJQANCHMSA-N 430.570 3.684 0 40 IHAB COCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1Cl 222801643 IMPDMMYXOLVAPH-HNNXBMFYSA-N 439.339 3.552 0 40 IHAB COc1cc2c(cc1S(=O)(=O)N1CCN(C/C=C/c3ccccc3)CC1)CCCC2 223031452 CLGLXRVLXHLVAS-JXMROGBWSA-N 426.582 3.594 0 40 IHAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN(C)C)c(C)n1Cc1ccncc1 223214779 UZIGNWICPOVFEI-BJKOFHAPSA-N 448.640 3.867 0 40 IHAB CC(C)(C)c1ccccc1OCCNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 223741559 GYDHLQKKLAGYCF-UHFFFAOYSA-N 430.570 3.577 0 40 IHAB CS(=O)(=O)N(CC(=O)Nc1ccc(Cc2ccncc2)cc1)c1ccc(F)c(Cl)c1 223873828 ZCFKCTXTMMFARZ-UHFFFAOYSA-N 447.919 3.870 0 40 IHAB COc1ccc(S(=O)(=O)N(C)Cc2cccc(F)c2)cc1C(=O)N1CCCCCC1 223875808 HVHLJXQBHNJBEW-UHFFFAOYSA-N 434.533 3.671 0 40 IHAB COc1ccc([C@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccc(OC)cc3)c2)cc1 224043286 DTISQAPYKHUOTF-INIZCTEOSA-N 440.521 3.996 0 40 IHAB COc1cccc(CN(C(=O)COc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCC2)c1 224043370 VQFRJBPZJRPWOM-KRWDZBQOSA-N 428.504 3.689 0 40 IHAB Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)c([N+](=O)[O-])c1)nn2C1CCNCC1 224253142 IKTNIZXIRAWLRG-UHFFFAOYSA-N 431.456 3.701 0 40 IHAB CCOC(=O)c1cc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)ccc1OCC 225780978 XBEFBUQWGQTFSD-UHFFFAOYSA-N 427.497 3.958 0 40 IHAB O=C(Nc1ccc(OC(F)(F)F)cc1)[C@@]12C[C@@H]1CN(c1ccc(Cl)cc1)S2(=O)=O 225938973 DLIKUADNMYGPOW-PIGZYNQJSA-N 446.834 3.786 0 40 IHAB CCn1c(CN2CCC[C@H]([C@H](NC(=O)[C@H]3CCCO3)c3ccccn3)C2)nc2ccccc21 249698207 VNUSRLMMDWUWMA-CYSDGLOUSA-N 447.583 3.700 0 40 IHAB CNc1cc([C@H]2CCCN2C(=O)C2(C)CCN(C(=O)Cc3ccc(F)cc3)CC2)ccn1 257199857 ABBCSDZIXVCCRZ-OAQYLSRUSA-N 438.547 3.797 0 40 IHAB NC(=O)c1ccc(-c2cccc([C@H]3CN(C(=O)CCc4ccc(F)cc4)CCO3)n2)cc1 257243369 IGQBPTIAGLMHAZ-HSZRJFAPSA-N 433.483 3.519 0 40 IHAB CC(=O)NCCCOc1ccc(CN2CCC(O)(COc3cccc(Cl)c3)CC2)cc1 257251959 JTAHYEFHCGTGAL-UHFFFAOYSA-N 446.975 3.651 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCOc3ccccc3C(C)C)C2)cc1 260912280 ASYKGDLCVBBJLZ-FQEVSTJZSA-N 444.597 3.714 0 40 IHAB O=C(Nc1ccccc1)c1cn2c(nc1=O)[C@H]1CN(Cc3cc(Cl)ccc3F)C[C@@H]1C2 306136564 PXDIWFVVRMOONU-QAPCUYQASA-N 438.890 3.517 0 40 IHAB COc1ccccc1CNS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccc2C)c1 408557000 FRICMAQURXAOSW-UHFFFAOYSA-N 440.521 3.743 0 40 IHAB CC1=C(C(N)=O)[C@@H](c2ccccc2)NC(SCC(=O)Nc2cccc(Cl)c2C)=N1 408991949 RRXKZXBRDFNTOH-LJQANCHMSA-N 428.945 3.780 0 40 IHAB CCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)C1=O 409237414 INKOWYWKBMHMCM-CXUHLZMHSA-N 430.844 3.538 0 40 IHAB CCc1ccccc1NC(=O)CSc1nnc([C@H](C)NC(=O)c2ccccc2C)n1C 409334178 VVKLJCWHZAANRM-INIZCTEOSA-N 437.569 3.908 0 40 IHAB COc1ccccc1CNC(=O)CN1CCC[C@](O)(COc2cc(C)ccc2Cl)CC1 585273663 QIQBATICDHVJPO-XMMPIXPASA-N 446.975 3.569 0 40 IHAB C[C@H]1CN(C(C)(C)CNc2nc(C(F)(F)F)nc3cc4c(cc23)OCO4)C[C@@H](C)O1 1615566493 FEQIXZSVUICLHH-TXEJJXNPSA-N 426.439 3.677 0 40 IHAB CCOC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1ccc(OC(=O)c2ccccc2)c(OC)c1 723882 ZAWAAHYJCANNGZ-HXUWFJFHSA-N 440.521 3.613 0 40 IHAB COc1cc(S(=O)(=O)N(Cc2ccc(C)cc2)C2CCCCC2)ccc1-n1cnnn1 934092 GUNXZYLJXVABBR-UHFFFAOYSA-N 441.557 3.503 0 40 IHAB O=C(CN1CCC(c2nc3ccccc3s2)CC1)N1CCN(c2ccccc2F)CC1 1335235 IGPRXFXRJGDHIU-UHFFFAOYSA-N 438.572 3.964 0 40 IHAB CCOc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CC(C)C)CC(=O)N21 2110971 JLUBURQLXZTLBR-SQJMNOBHSA-N 431.536 3.908 0 40 IHAB biogenic CN(C)CCNc1ncnc2c1sc1nc(N3CCCC3)c3c(c12)CC(C)(C)OC3 2394765 HLTIZFQGEAGFII-UHFFFAOYSA-N 426.590 3.665 0 40 IHAB COC(=O)[C@](O)(c1ccc(NC(=O)Nc2cccc(Cl)c2)c(OC)c1)C(F)(F)F 3103542 SZJVYFYSRSYWNT-QGZVFWFLSA-N 432.782 3.916 0 40 IHAB O=C(COc1ccccc1)NCC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 3422997 XRNPDYJNKJHVFK-UHFFFAOYSA-N 431.208 3.602 0 40 IHAB C[C@H](OC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)C(=O)Nc1ccccc1F 3482359 XOJZWCAGTDTOND-AWEZNQCLSA-N 432.407 3.810 0 40 IHAB COC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)c1 3570051 OFUBKDBJBXCWKU-UHFFFAOYSA-N 428.441 3.665 0 40 IHAB COCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cccc4cccnc34)cc12 3656724 GIZSIUKXJYINSC-UHFFFAOYSA-N 440.477 3.893 0 40 IHAB CCOC(=O)c1oc2ccccc2c1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 4142451 UGWQDCMYZRDWNH-UHFFFAOYSA-N 442.493 3.646 0 40 IHAB Cc1cc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Br)cc2)no1 6146664 WVWSOOJCJWXVNW-UHFFFAOYSA-N 436.287 3.799 0 40 IHAB CCOCCCNC(=S)N(CCN(CC)CC)Cc1cc2c(C)ccc(C)c2[nH]c1=O 6193277 ZYDFSKFHTZTCKJ-UHFFFAOYSA-N 446.661 3.590 0 40 IHAB O=C(Nc1nnc(S(=O)(=O)N2CCCc3ccccc32)s1)c1ccccc1Cl 8588068 SWKSNXFSQWKULU-UHFFFAOYSA-N 434.930 3.585 0 40 IHAB COc1ccccc1-c1cc([C@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)c2ccco2)nc(C)n1 8622930 ZLZYKFIVFWVVSU-NSHGMRRFSA-N 432.524 3.661 0 40 IHAB biogenic,in-vitro O=c1cc(CSc2nc3ccccc3s2)nc(N2CCN(c3ccccc3)CC2)[nH]1 8758012 HUYFRHDEWAIYOK-UHFFFAOYSA-N 435.578 3.999 0 40 IHAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)/N=c3\sc4ccccc4n3C)cc2)C1 9367559 RIQZRSZORYOEAT-SMJDUXBKSA-N 443.594 3.648 0 40 IHAB O=C(Nc1cccc2ncccc12)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 9420951 JNTCQKRERUJVRT-UHFFFAOYSA-N 429.929 3.928 0 40 IHAB COc1cccc(CN(C)C(=O)c2cc(S(=O)(=O)NC3CCCCC3)ccc2C)c1 9671768 SWAXNAGMEFPYKG-UHFFFAOYSA-N 430.570 3.887 0 40 IHAB CC(C)[C@H](NC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)c1ccc2c(c1)OCCCO2 9960823 KIDBNSURAMABDZ-QHCPKHFHSA-N 433.508 3.631 0 40 IHAB O=C(/C=C/c1ccccc1Cl)OCC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 9963555 DDDPWELMAHLAEV-JLHYYAGUSA-N 447.940 3.954 0 40 IHAB C[C@@H](Sc1nnc(NCc2ccco2)s1)C(=O)Nc1sc2c(c1C(N)=O)CCC2 10032522 XIRFGQZGGOGPKA-SECBINFHSA-N 449.583 3.512 0 40 IHAB COc1ccccc1CNC(=O)CCCSc1ccc(NC(=O)c2cccs2)nn1 11794145 NJEAWJYEVQFYSU-UHFFFAOYSA-N 442.566 3.988 0 40 IHAB Cc1noc(-c2cc(=O)n(CC(=O)NCc3ccccc3F)nc2-c2cccs2)c1C 12156246 UODBWGZGWWEYQP-UHFFFAOYSA-N 438.484 3.699 0 40 IHAB CC[C@H](Oc1cccc(OC)c1)C(=O)N1CCC[C@H](c2nc3ccccc3cc2C(N)=O)C1 12241645 KNUOMRIKHSKOIQ-MBSDFSHPSA-N 447.535 3.906 0 40 IHAB CCOCc1cc(CN2CCC(c3cc(O)nc(-c4cnccn4)n3)CC2)ccc1OC 12275400 ZUTJNEYAVUOQQR-UHFFFAOYSA-N 435.528 3.564 0 40 IHAB COc1ccc(NC(=O)Cn2cnc3c(sc4nc(C)cc(C)c43)c2=O)cc1Cl 12414939 UHLIPJUGDWEBSE-UHFFFAOYSA-N 428.901 3.924 0 40 IHAB CCOC(=O)N1CCN(Cn2ccn(-c3ccc(Br)cc3)c2=S)CC1 12561388 OLDHCRVDEHFVSY-UHFFFAOYSA-N 425.352 3.502 0 40 IHAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1nc(C)n(-c2ccc(F)cc2)n1 12791722 PWVKFQQJYARILM-UHFFFAOYSA-N 449.408 3.834 0 40 IHAB c1nc(Sc2nnc(N3CCOCC3)n2C2CC2)c2c3c(sc2n1)CCCCC3 12845142 VZTVQPRLDRRQEU-UHFFFAOYSA-N 428.587 3.874 0 40 IHAB Cc1ccc(C(=O)CCC(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)cc1C 12979094 ZSIRGVIHGVGEEM-UHFFFAOYSA-N 441.959 3.703 0 40 IHAB Fc1ccc(Cn2nnnc2[C@@H](c2ccccc2)N2CCN(c3ccccc3F)CC2)cc1 13504744 KXIRABAXVLAAHM-XMMPIXPASA-N 446.505 3.911 0 40 IHAB COc1ccc(NC(=O)c2ccc(NC(=O)CCCn3c(C)csc3=O)cc2)cc1 14140404 PJADMGVISTZMNU-UHFFFAOYSA-N 425.510 3.898 0 40 IHAB COCCN1C(=S)N[C@@H](c2c(F)cccc2Cl)C(C(=O)Nc2cc(C)on2)=C1C 14232732 SWOVRLLVXSKAHJ-QGZVFWFLSA-N 438.912 3.566 0 40 IHAB COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)c(OC)c1 15654707 NDVKXFGXFHNXBZ-UHFFFAOYSA-N 438.933 3.784 0 40 IHAB O=C(CN1CCN(C(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)CC1)NC1CC1 17811430 DRMYETHWYHEXQI-UHFFFAOYSA-N 444.000 3.669 0 40 IHAB COc1ccccc1CC(=O)NCCn1ncc(-c2ccc(Cl)cc2)c1-c1nccn1C 19291771 HEDGXZZKQIVVKH-UHFFFAOYSA-N 449.942 3.972 0 40 IHAB Fc1ccc(OCCCN2CCC[C@@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)cc1 19335915 XYPUOWKKIWXWBE-FHLIZLRMSA-N 427.446 3.886 0 40 IHAB O=C1CCCN1CC(=O)N1CCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 19373231 KXAGPFKOAOWYCP-OAQYLSRUSA-N 442.523 3.568 0 40 IHAB CCc1cc(C(=O)N2CCC[C@H]2c2nc(O)c3c(n2)CCN(CC2CCCCC2)C3)no1 19522648 RYGZEXIEPTWQRP-NRFANRHFSA-N 439.560 3.648 0 40 IHAB CCN(CC)CCNc1nc(-c2cccnc2)nc2c1CN(Cc1ccc(F)cc1)CC2 19526411 DUZNDKZZHWIMHK-UHFFFAOYSA-N 434.563 3.990 0 40 IHAB COc1ccc(CN(C)CC(=O)N2CCO[C@@H](c3ccc(-c4ccccc4F)cn3)C2)cc1 19693668 ABYKKWGIQAKJOC-RUZDIDTESA-N 449.526 3.928 0 40 IHAB Cc1nnsc1C(=O)N1CCC[C@@H](c2nc(C)c3c(n2)N(Cc2ccccc2)CCC3)C1 19706920 MLXDPIABYJRMCT-LJQANCHMSA-N 448.596 3.918 0 40 IHAB COc1cc(NC(=O)Cc2cnc(-c3ccc(Cl)cc3)[nH]c2=O)c(OC)cc1Cl 19937711 FWOXSAMQZNGJOZ-UHFFFAOYSA-N 434.279 3.942 0 40 IHAB CCN(CC(=O)N[C@@H](C)c1ccc(SC)cc1)S(=O)(=O)c1cc(C)ccc1OC 20014794 HCDOQMRQTBUCTI-INIZCTEOSA-N 436.599 3.614 0 40 IHAB COc1ccc(-c2cc3n(n2)[C@H](C(=O)Nc2ccc(C(C)=O)cc2)CC(O)=N3)cc1OC 20724249 QFLHRTJCPKEDDZ-SFHVURJKSA-N 434.452 3.941 0 40 IHAB O=C(OCc1cc(Cl)c2c(c1)OCCO2)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 21863963 ZDGQHRBSZVSIIB-INIZCTEOSA-N 433.863 3.846 0 40 IHAB C[C@H]1CCc2c(sc3nc(CCC(=O)N4CCN(C5CCCCC5)CC4)[nH]c(=O)c23)C1 21882434 IQNBQQUZEGHTDK-INIZCTEOSA-N 442.629 3.519 0 40 IHAB C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1 22539682 GALLBVBOOYEKJI-OPAMFIHVSA-N 444.503 3.732 0 40 IHAB O=C(c1cc(-c2ccccc2)nc2ccccc12)N1CCC[C@@H](C(=O)N2CCOCC2)C1 22604465 ZKIAFZZPWMBRAU-HXUWFJFHSA-N 429.520 3.613 0 40 IHAB CCC[C@@H](c1nnnn1CCOC)N1CCN(C(c2ccccc2)c2ccccc2)CC1 22928831 FYQYIVTVEOUKIP-QHCPKHFHSA-N 434.588 3.568 0 40 IHAB Cc1ccc(-n2c(SCc3noc(-c4cccs4)n3)nnc2N2CCOCC2)cc1 30514752 XKGVWTPBASFOLU-UHFFFAOYSA-N 440.554 3.816 0 40 IHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(N(C)C[C@@H]2COc3ccccc3O2)nc1 30681819 RYEIBLYNYQIXKD-LJQANCHMSA-N 439.537 3.573 0 40 IHAB CCOC(=O)c1c(NC(=O)CSc2nc(C)c3c(n2)CCC3)sc(C(C)=O)c1C 35211709 WXVVYASGEVBJFA-UHFFFAOYSA-N 433.555 3.754 0 40 IHAB COc1ccccc1[C@H](c1nnnn1Cc1ccccc1)N1CCN(C2CCCCC2)CC1 35291463 ZFBHHJZTCVXAGC-RUZDIDTESA-N 446.599 3.770 0 40 IHAB O=C(CCCOc1cccc2ccccc12)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 40129746 GUUUPKFXUFMKFS-IBGZPJMESA-N 427.522 3.808 0 40 IHAB Cc1ccc(Cn2c(=O)c3ccccc3n(CC(=O)Nc3cccc(Cl)c3)c2=O)cc1 40478456 LTLIDULPFXHJLF-UHFFFAOYSA-N 433.895 3.812 0 40 IHAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ncnc4sccc34)cc2)C1 44272996 ITEUKUJKJGEHBI-OKILXGFUSA-N 430.555 3.610 0 40 IHAB COC(=O)c1ccc(N2CCCC2)c(NC(=O)N(Cc2cccnc2)C[C@H]2CCCO2)c1 48301250 JCPPGZKNCHIFSD-HXUWFJFHSA-N 438.528 3.682 0 40 IHAB COC(=O)c1cccc(Nc2cc(C(=O)N3CCSCC3)nc3c(OC)cccc23)c1 49003068 ZKGPTFGNZHBNLN-UHFFFAOYSA-N 437.521 3.963 0 40 IHAB CCc1ccccc1Sc1nccn2c(=O)n(CC(=O)Nc3c(C)cccc3C)nc12 49009104 LLYKQNXHOLYXAD-UHFFFAOYSA-N 433.537 3.860 0 40 IHAB CC(C)C[C@@H]1N[C@H](C(=O)NCc2ccco2)Cc2cn(Cc3nccn3C)c3cccc1c23 49171762 JCPMTRDJHCGCDN-VXKWHMMOSA-N 445.567 3.934 0 40 IHAB biogenic,in-vitro COc1c(Br)cc(Cl)cc1S(=O)(=O)Nc1cccc(F)c1C(=O)O 60707157 CKOYXTYHFNPHBF-UHFFFAOYSA-N 438.658 3.749 0 40 IHAB Cc1cc2nc(SCC(=O)NCc3cccc(Br)c3)n(C(C)C)c(=O)c2[nH]1 67299441 ITEOFHBZFWPMEX-UHFFFAOYSA-N 449.374 3.785 0 40 IHAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)CNC(=O)CC1CCCC1)CC2 72280530 WFTOXFVPHVZBQY-XMMPIXPASA-N 442.581 3.936 0 40 IHAB Cc1cc(NC(=O)[C@@H](C)SCC(=O)N2CC(OCc3cccc4ccccc34)C2)no1 72306725 XNSAQQKXMLVADX-MRXNPFEDSA-N 439.537 3.624 0 40 IHAB Cn1ccnc1[C@H](O)c1cccc(F)c1N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 72340559 DZEWIIWNIVJNBL-OAQYLSRUSA-N 448.464 3.982 0 40 IHAB COc1ccc(NC(=O)CN2CCC[C@H](c3ccnc(Nc4ncccc4C)n3)C2)cc1 72377591 FYBPSHLNTSDECW-SFHVURJKSA-N 432.528 3.750 0 40 IHAB COc1ccc(NC(=O)C(=O)NC[C@](C)(O)c2ccc(-c3ccccc3)cc2)cc1Cl 77184403 MHIMRBODAKRBIQ-DEOSSOPVSA-N 438.911 3.978 0 40 IHAB COc1ccc(-c2nnc3n2[C@H](C(=O)Nc2ccccc2OC(F)F)CC(O)=N3)cc1 79491884 FMKVUTFZQBRWQJ-AWEZNQCLSA-N 429.383 3.727 0 40 IHAB C[N+](C)(C)C[C@@H](CCCCCCC(=O)O)O[P@@](=O)(O)Oc1ccc([N+](=O)[O-])cc1 97974119 XOSAFASROQYQAE-QGZVFWFLSA-O 433.418 3.591 0 40 IHAB O=C(Nc1cccc(Cl)c1)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 102086616 BRUQSFDXZJCSQY-DWBHWTKOSA-N 446.934 3.943 0 40 IHAB Cc1ccc(C2=NN(C(=O)CN[C@H](C[S@@](C)=O)c3ccccc3)[C@@H](c3ccco3)C2)cc1 108165408 SSAMRVVGGPHPRE-PQDHALMWSA-N 449.576 3.975 0 40 IHAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C 108990392 JMRHDYOLKMFNAY-HZPDHXFCSA-N 442.947 3.671 0 40 IHAB CCCCc1ccc(NC(=O)[C@H](C)N(c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 220236107 NCDAPLINXSINHR-INIZCTEOSA-N 434.558 3.840 0 40 IHAB CC[C@H](C(=O)N[C@H](C)COc1ccc(C)cc1)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220583214 SGYALHDJEDWOQT-DENIHFKCSA-N 432.586 3.740 0 40 IHAB CC[C@@H](C(=O)Nc1cc(Cl)ccc1OC)N(c1ccc(OC)cc1)S(C)(=O)=O 220643004 PUBNUYQQXYOKAT-KRWDZBQOSA-N 426.922 3.541 0 40 IHAB O=C(NCCSCc1ccc(Cl)cc1)c1cccc(N2CCCCS2(=O)=O)c1 222551711 XZOUYWSAVFHCNQ-UHFFFAOYSA-N 439.002 3.933 0 40 IHAB CS(=O)(=O)N(CC(=O)NCc1cccc2ccccc12)c1ccc(Br)cc1 222838281 ZLTHVUWEWDAQRL-UHFFFAOYSA-N 447.354 3.685 0 40 IHAB CCCC(=O)N(Cc1ccc(OC)cc1)[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CCCO1 223268913 MQHBWFCSEWBAMA-RPWUZVMVSA-N 438.568 3.730 0 40 IHAB COc1ccc(OC)c([C@H](C)NC(=O)CCCN(c2cc(C)cc(C)c2)S(C)(=O)=O)c1 223884702 CNOIKPHPOHRPSZ-SFHVURJKSA-N 448.585 3.744 0 40 IHAB Cc1ccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)c(C)c1 224025323 MIZOJGYIAGPTEE-UHFFFAOYSA-N 444.597 3.985 0 40 IHAB COc1ccc(OC)c(CN(C)C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)c1 224081544 WPLKNNMNOTXYFD-UHFFFAOYSA-N 440.521 3.777 0 40 IHAB CC[C@@H](C(=O)NCCOc1ccc(C)c(C)c1)N(c1ccc(Cl)cc1)S(C)(=O)=O 224307921 MXCSYJZHEQTHBE-FQEVSTJZSA-N 438.977 3.697 0 40 IHAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCc1ccc(OC)c(OC)c1 225097086 KUXIRPYGSMJVLM-NRFANRHFSA-N 426.557 3.970 0 40 IHAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc2c(c1)OCCO2 225241984 RAFFXYNWBAEXJX-ZWKOTPCHSA-N 442.531 3.862 0 40 IHAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCc1ccc2c(c1)OCO2 225376930 ZQVYHQKBCYSMDX-ZWKOTPCHSA-N 440.540 3.689 0 40 IHAB NC(=S)[C@@H]1[C@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242463812 DMMXXYQEZOSGJJ-RRFJBIMHSA-N 430.776 3.945 0 40 IHAB COc1ccc(C2(C(=O)N3CCOC[C@H](Cc4cccn5nccc45)C3)CCCC2)cc1 257241693 HZDVQAGJTOUGEA-HXUWFJFHSA-N 433.552 3.872 0 40 IHAB CNC(=O)c1sc2ccccc2c1[C@@H]1CCN(C(=O)c2ccc(OCCOC)cc2)C1 257293049 QNXWJOURVUPTOV-QGZVFWFLSA-N 438.549 3.916 0 40 IHAB COc1ccc(N([C@@H](C)C(=O)N[C@H](CC(C)C)c2ccccc2)S(C)(=O)=O)cc1OC 260587900 BUALIQFRDLSDET-FXAWDEMLSA-N 448.585 3.762 0 40 IHAB O=C(CNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1)Nc1cc(Cl)cc(Cl)c1 408552308 LQGMDBXELFQXDC-UHFFFAOYSA-N 435.094 3.994 0 40 IHAB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1cccs1 408652511 OVSPIOUTVCLATP-IYBDPMFKSA-N 428.897 3.593 0 40 IHAB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccccn3)C2=O)ccc1Cl 409160994 SAJWDTFTTSJGBS-YBEGLDIGSA-N 445.884 3.587 0 40 IHAB O=C(CN1C(=O)S/C(=C/c2ccc(Br)o2)C1=O)Nc1cccc(F)c1 409239582 ZHZRTQHZCODCFS-KPKJPENVSA-N 425.235 3.856 0 40 IHAB Cc1cccc([C@H]2CCCN2C(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)c1 500856995 FSCYXQWAHMHYGK-HSZRJFAPSA-N 426.605 3.566 0 40 IHAB CCCc1ncc(C(=O)Nc2nc3ccc(S(=O)(=O)N4CCCC4)cc3s2)s1 525155880 HTEWJLBAHSTSRD-UHFFFAOYSA-N 436.584 3.742 0 40 IHAB COc1ccc(CCNS(=O)(=O)c2cc(C)c(Br)cc2C)cc1OC 577021663 JJJHMZPZXXCUFN-UHFFFAOYSA-N 428.348 3.604 0 40 IHAB CCN1CCN(C(=O)c2ccc(N(C)C)cc2)[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O 585169022 OFONLVRTVNWVBZ-VWLOTQADSA-N 442.563 3.730 0 40 IHAB CCN1CCCCCN(C(=O)c2cn(C)cn2)[C@@H](C(C)C)COc2ccccc2C1=O 643583227 KUDQZLMCTRHHHF-OAQYLSRUSA-N 426.561 3.612 0 40 IHAB COc1ccccc1[C@H]1[C@@H](C(=O)NCC2CCOCC2)SCC(=O)N1C1CCCCC1 952964469 CCUPFVVBLVYYAI-GOTSBHOMSA-N 446.613 3.556 0 40 IHAB CN1C[C@H](O)C(C)(C)COCCC[C@H]2CN(CCCc3ccccc3)CC[C@H]2CC1=O 1534613714 WSXSPZYBTCKTBT-HJOGWXRNSA-N 430.633 3.603 0 40 IHAB CCCNC(=O)N1CC[C@H]2CC(=O)Nc3cc(C4CCOCC4)ccc3OCC[C@H]2C1 1534646675 OGLQYGQOYHDURT-PMACEKPBSA-N 429.561 3.749 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CSc2nnc(COc3cccc(C)c3)n2C)cc1 687541 IBQIKBYNUBPDAB-UHFFFAOYSA-N 440.525 3.610 0 40 IHAB CCOC(=O)c1sc2ncn(CC(=O)Nc3c(CC)cccc3CC)c(=O)c2c1C 791145 VZENPYNAZFYYLF-UHFFFAOYSA-N 427.526 3.707 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CSc2nnc(COc3ccccc3C)n2C)cc1 933584 QFGYRXCCOZXRLM-UHFFFAOYSA-N 440.525 3.610 0 40 IHAB Cc1ccc2c(c1)[C@](O)(CC(=O)c1cc(Br)c(Br)o1)C(=O)N2 1320296 AVTGTCCYKWIZBA-OAHLLOKOSA-N 429.064 3.526 0 40 IHAB CCSc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)s1 3265129 JLUNAKHAVXATEK-UHFFFAOYSA-N 446.579 3.654 0 40 IHAB COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(Br)c(Br)s1 3336671 CHAMYLAHISOYAB-NSHDSACASA-N 447.148 3.787 0 40 IHAB Nn1c(SCC(=O)Nc2ccccc2Br)nnc1-c1cccc(Cl)c1 3472585 LYQHCKZGDWTUNL-UHFFFAOYSA-N 438.738 3.806 0 40 IHAB CCc1ccc(S(=O)(=O)N(C(=O)c2cccnc2)c2ccc3oc(=O)sc3c2)cc1 3653973 ZXHDTJBVYNMNIA-UHFFFAOYSA-N 440.502 3.848 0 40 IHAB COc1cc([C@H]2OC[C@@H]3[C@@H](c4cc(OC)c5c(c4)OCO5)OC[C@H]23)cc(OC)c1OC 4098929 DHWUVPPRBIJJKS-VUEDXXQZSA-N 430.453 3.525 0 40 IHAB endogenous,in-man CSc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(C4CCN(C(C)=O)CC4)C2)C3)cc1 4260395 JQOBDJWSOOZEBI-AZUAARDMSA-N 437.609 3.667 0 40 IHAB biogenic,in-vitro COc1cc([C@H]2OC[C@@H]3[C@@H](c4ccc(OC(C)=O)c(OC)c4)OC[C@H]23)ccc1OC(C)=O 4777911 KABPASQHFAUTDF-XZUXRINTSA-N 442.464 3.630 0 40 IHAB biogenic,in-vitro CCOc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2cccc(Cl)c2C)CC1=O 6631515 GWZUZPKJDJKHQP-HNNXBMFYSA-N 430.888 3.582 0 40 IHAB CCOc1ccc([C@H]2[C@H](C(=O)OCC(C)C)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OCC(C)C)cc1 8913931 LQEIJWJNUWOURT-XOEOCAAJSA-N 448.556 3.524 0 40 IHAB CC(C)c1nc2sc3c(N(C[C@H](C)O)C[C@H](C)O)ncnc3c2c2c1COC(C)(C)C2 9281670 NXAUCXXODAHPJW-KBPBESRZSA-N 444.601 3.782 0 40 IHAB COCCNC(=S)Nc1cccc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)c1 9373615 AURNLKACQLNEGV-UHFFFAOYSA-N 447.554 3.735 0 40 IHAB CCOC(=O)CCC(=O)Nc1c(C(=O)Nc2ccc(OC)cc2OC)oc2ccccc12 9414335 DMQHACIZSFBZBH-UHFFFAOYSA-N 440.452 3.984 0 40 IHAB Cn1c(-c2ccccc2)c(C(=O)COC(=O)c2ccc(-n3cnnn3)cc2)c2ccccc21 9469241 MPTXDOFKRVKNDX-UHFFFAOYSA-N 437.459 3.861 0 40 IHAB COc1cccc(-n2c(S[C@H](C)C(N)=O)nc3sc4c(c3c2=O)CCCCC4)c1 9501021 KEBKCVRHFTWNHV-GFCCVEGCSA-N 429.567 3.691 0 40 IHAB COc1ccc(Oc2c(C)oc3cc(OCC(=O)N4CCSCC4)ccc3c2=O)cc1 9547349 CWIDZLUMPGPZIB-UHFFFAOYSA-N 441.505 3.857 0 40 IHAB O=C(CSC1=Nc2ccccc2C2=N[C@@H](c3ccccc3)C(=O)N12)NCc1ccco1 9674262 YTHVVTWEWHRBPX-FQEVSTJZSA-N 430.489 3.660 0 40 IHAB C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 9709232 XMUZXGRKDPSACT-LBPRGKRZSA-N 428.290 3.844 0 40 IHAB Cc1ccc(SCCn2c(Sc3ccc(C)cc3)nc3c2c(=O)[nH]c(=O)n3C)cc1 10103088 KFVLAQXCIRMKSC-UHFFFAOYSA-N 438.578 3.984 0 40 IHAB Cc1ccc(-n2nc3c(c2NC(=O)C(=O)NCc2ccccc2Cl)CSC3)cc1 10220910 OARRXFDWGPZRMD-UHFFFAOYSA-N 426.929 3.836 0 40 IHAB COc1cccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCN(C)C)c1OC 11614662 DNPAJIITEWMKKT-LJQANCHMSA-N 442.899 3.570 0 40 IHAB O=C(c1cccc(N2CCCCS2(=O)=O)c1)N1CCCC[C@H]1c1nc2ccccc2[nH]1 12116148 ATTQSTMALHJWQQ-NRFANRHFSA-N 438.553 3.860 0 40 IHAB Cc1cccc(NS(=O)(=O)c2ccc(C(=O)NCCN(C(C)C)C(C)C)cc2)c1C 12740194 QSBBVXHYTKZYOI-UHFFFAOYSA-N 431.602 3.953 0 40 IHAB C[C@@H]1CCN(C(=O)CNc2ccc(S(=O)(=O)N3CCCC3)cc2)c2ccccc2S1 12780928 ULLLMPBXEDXRRG-QGZVFWFLSA-N 445.610 3.801 0 40 IHAB CCCN(Cc1ccc(C)cc1)C(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 12908953 LZNSIMSGVGSXAM-BGYRXZFFSA-N 444.597 3.845 0 40 IHAB COc1ccc([C@@H](CNC(=O)C[C@@H]2Sc3ccccc3NC2=O)N2CCCCC2)cc1 13102645 DNTPXIOEQBRZRW-IRLDBZIGSA-N 439.581 3.842 0 40 IHAB O=C([C@H](Sc1nnc(NCc2ccc(F)cc2)s1)c1ccccc1)N1CCOCC1 13128180 JBHYRMAJPXLAQO-GOSISDBHSA-N 444.557 3.982 0 40 IHAB C[C@@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)N1CC(=O)Nc2ccccc21 13164945 CHSJNKSNXIRODE-OAHLLOKOSA-N 433.537 3.670 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)N1c2ccccc2C[C@@H]1C 13670101 XZVKLLKIPMAYNC-KRWDZBQOSA-N 428.554 3.707 0 40 IHAB COc1cc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc4[nH]ccc4c3)C2)cc(OC)c1OC 13682622 REEWDEQIZHBUPF-QGZVFWFLSA-N 437.496 3.685 0 40 IHAB CC[C@@H](C(=O)NCCSCc1ccc(Cl)cc1)N(c1ccccc1)S(C)(=O)=O 13711179 IEKRAIHJBIKSKH-IBGZPJMESA-N 441.018 3.934 0 40 IHAB CCn1c(CC(=O)Nc2ccccc2C)nnc1SCC(=O)N[C@@H](C)c1ccccc1 13955914 LKNYWSANONXUQD-KRWDZBQOSA-N 437.569 3.757 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc3c(C)cc(=O)oc3c2)ccc1F 15951467 SKLHRBJFSFNNOE-UHFFFAOYSA-N 432.473 3.523 0 40 IHAB C[C@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)N1CCC(Cc2ccccc2)CC1 16045383 ZWJFFQSEQWJLSV-OAHLLOKOSA-N 433.474 3.502 0 40 IHAB Cc1ccc(-n2ncc3c(=O)n(CC(=O)Nc4ccccc4C(F)(F)F)cnc32)c(C)c1 16047560 SKRPRDAQRGCXTK-UHFFFAOYSA-N 441.413 3.857 0 40 IHAB CC(C)n1nccc1NC(=O)[C@H](C)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 16565869 LGPFMCQNNZSABT-ZDUSSCGKSA-N 444.889 3.680 0 40 IHAB O=C(c1ccccc1)[C@H]1[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]2[C@@H]2C=Cc3ccccc3N21 18187663 VXCLYNXHHVLCPH-ASDGIDEWSA-N 448.522 3.997 0 40 IHAB O=C(c1ccc(O)nn1)N1CCC[C@@H](c2nc(Nc3cccc(F)c3)n3ccsc23)C1 19294208 GQYHNYXBDWGCKI-CYBMUJFWSA-N 438.488 3.794 0 40 IHAB O=C(Cc1csc(-c2cccnc2)n1)NCCn1cc(-c2ccncc2)c(C2CC2)n1 19340933 ZNDGOXDBZGUCIE-UHFFFAOYSA-N 430.537 3.700 0 40 IHAB CC(C)NC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)c2ccn(C)n2)C1 19449448 VPAUFVWAVIRCRS-XMMPIXPASA-N 436.581 3.748 0 40 IHAB CCNC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCCN(C(=O)Cc2cccnc2)C1 19528552 BJPRQFNTYALMJY-HHHXNRCGSA-N 442.563 3.674 0 40 IHAB COc1ccc(CCCC(=O)N2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)cc1C 19571297 NMRLPHOVHAHFAE-GBESFXJTSA-N 447.530 3.847 0 40 IHAB COc1cccc(CN2CCN(C)C(=O)[C@@H](Cc3cccc(-c4cccnc4)c3)C2)c1OC 19589553 RKLOCUJQHCLNPL-DEOSSOPVSA-N 445.563 3.899 0 40 IHAB Cc1cc(NC(=O)c2cc(I)ccc2Cl)cc(C(=O)O)c1O 20138556 KGIPOXWDMWREJO-UHFFFAOYSA-N 431.613 3.909 0 40 IHAB C[C@@H]1[C@@H](NC(=O)c2ccncc2)CC[C@]2(C)CC[C@H]([C@H](C)C(=O)N3CCCCC3)[C@H](O)[C@@H]12 20467042 URVRORSZPYFGLD-YWHDMBOESA-N 441.616 3.652 0 40 IHAB biogenic,in-vitro Cc1nc(S[C@H](C)C(=O)N2CCN(c3ccccc3)CC2)n(C[C@H]2CCCO2)c1C 20990504 WLUUINYZZOPGAS-TZIWHRDSSA-N 428.602 3.508 0 40 IHAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2 24396064 JJOXVHSEWDMKPT-UHFFFAOYSA-N 449.599 3.548 0 40 IHAB CC(C)c1cc(C(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)c2cnn(C(C)C)c2n1 24831962 JQXIEKLHEROCJH-MRXNPFEDSA-N 444.557 3.558 0 40 IHAB Cc1ccc2[nH]c3c(c2c1)CN(C(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccco1)CC3 25543582 JBTWFJBMBOTRDA-HSZRJFAPSA-N 427.504 3.995 0 40 IHAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1sccc1S(=O)(=O)N1CCCC1 25807588 PSFRILHKBSVNMC-AWEZNQCLSA-N 446.550 3.751 0 40 IHAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)Cc1csc(-c2ccsc2)n1 32747531 RZYMUPKNIQXHOC-UHFFFAOYSA-N 443.550 3.673 0 40 IHAB Cc1cccc(NC(=O)CSc2nnc([C@H](C)NC(=O)c3ccccc3F)n2C)c1C 35103742 IVLSHEFKFDBCHE-HNNXBMFYSA-N 441.532 3.793 0 40 IHAB O=C(Cc1cc(-c2ccc3c(c2)OCCO3)on1)NCc1cc(-c2ccc(F)cc2)on1 35592821 BQRJYTPWQNXWMN-UHFFFAOYSA-N 435.411 3.766 0 40 IHAB Cc1ccc(-c2ccc(=O)n(CCC(=O)NCc3cccc(Br)c3)n2)cc1 41254479 HUDVBNQPSBPMEE-UHFFFAOYSA-N 426.314 3.688 0 40 IHAB Cc1ccc2c(=O)c(C(=O)Nc3ccc(F)cc3)cn(CC(=O)Nc3ccccc3F)c2n1 49002078 JSKKBUUKHMKHMK-UHFFFAOYSA-N 448.429 3.874 0 40 IHAB COc1ccc(N2C(=O)C[C@@H](c3ccc(OC)c(OC)c3)c3sc(=O)n(C)c32)cc1 49544317 FYSJOFWBNXWZPW-INIZCTEOSA-N 426.494 3.673 0 40 IHAB COC(=O)C1=C(CN2CC=C(c3ccccc3)CC2)NC(=O)N[C@@H]1c1ccccc1Cl 57414931 QZAIICYIOBQZSV-JOCHJYFZSA-N 437.927 3.910 0 40 IHAB Cn1c(=O)c2sccc2n2c(CNC3(c4cccc(Br)c4)CCC3)nnc12 58231623 SJDZWCCEWCHRFN-UHFFFAOYSA-N 444.358 3.574 0 40 IHAB CCn1nc(C)c2nc(SCC(=O)Nc3ccccc3)n(CCc3ccccc3)c(=O)c21 64817084 NEVXYKGBDXNHTD-UHFFFAOYSA-N 447.564 3.895 0 40 IHAB CC(=O)N(Cc1ccccc1)c1nc2ccccc2n(CC(=O)Nc2cccc(C)c2)c1=O 64987702 VTMMLJPFAIIOSW-UHFFFAOYSA-N 440.503 3.897 0 40 IHAB COc1cccc(CNC(=O)[C@@H](c2cccc(Br)c2)N2CCCC2)c1OC 72306930 NGUFQSITFKIYOD-LJQANCHMSA-N 433.346 3.920 0 40 IHAB Cc1nonc1CC(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(CC1CCCCC1)CCC2 72372914 FTBRORVQDUBAMP-NRFANRHFSA-N 438.576 3.716 0 40 IHAB O=C(CCCNC(=O)OCc1ccccc1)N[C@H]1c2ccccc2CC[C@H]1n1ccnc1 78975711 JCBBBJPSOBWUPY-VWNXMTODSA-N 432.524 3.935 0 40 IHAB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)OC[C@H]2COc3ccccc3O2)cc1 89365493 XORRNHBLVKCPRB-LJQANCHMSA-N 439.489 3.509 0 40 IHAB CN(C)CCN(Cc1ccncc1)C(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O 95418261 IDCYQNMDIBRXJS-UHFFFAOYSA-N 442.922 3.728 0 40 IHAB O=C(C[C@@H]1COCCN1S(=O)(=O)Cc1c(Cl)cccc1Cl)c1cccs1 95996954 XVNYFSFWLLCNRC-GFCCVEGCSA-N 434.366 3.859 0 40 IHAB CCN1CC[C@@]2(CN(CC(C)C)CC23CCN(C(=O)Nc2ccc(OC)cc2)CC3)C1=O 96144346 FIEUDMZHJNXKTL-RUZDIDTESA-N 442.604 3.520 0 40 IHAB CCC(CC)C(=O)N1CCC2(CC1)C[C@@H](CC(=O)N1CCN(C)CC1)c1ccccc12 96242282 YNBXDJHOOZZYBP-OAQYLSRUSA-N 425.617 3.634 0 40 IHAB COc1cccc([C@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2C(=O)c2ccco2)c1 97105766 BLORHAQFZSMJAX-HXUWFJFHSA-N 439.493 3.651 0 40 IHAB COc1ccc(-c2cc(N3CCC(NC(=O)c4ccc(Br)o4)CC3)[nH]n2)cc1 98212753 CBEWOKZSWYNOHP-UHFFFAOYSA-N 445.317 3.840 0 40 IHAB Cc1ccc(-c2noc(CN3N=N[C@H]4C(=O)N(c5cccc(Cl)c5)C(=O)[C@H]43)n2)cc1C 101277597 VNVKFMKQYAKQTH-MSOLQXFVSA-N 436.859 3.500 0 40 IHAB Cc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3N2[C@H](C)C(=O)N2CCCCC2)c(C)c1 102413517 MUAPDGWQKXGUQU-AUSIDOKSSA-N 448.567 3.860 0 40 IHAB CC(C)Oc1cccc(CCCNC(=O)c2cccc(N3CCCCS3(=O)=O)c2)c1 222558482 HRFHYQDDNCTQRX-UHFFFAOYSA-N 430.570 3.766 0 40 IHAB COc1cccc(N(C)C(=O)CCc2ccc(S(=O)(=O)NCc3ccccc3)cc2)c1 222866583 BRIXTONPFUGLEK-UHFFFAOYSA-N 438.549 3.769 0 40 IHAB COc1ccc(OC)c([C@H](C)NC(=O)CCCN(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 224584163 CSFDBZPKAPXZSY-SFHVURJKSA-N 448.585 3.744 0 40 IHAB CCS(=O)(=O)Nc1cccc(C(=O)NCCCNc2ccnc3cc(Cl)ccc23)c1 225969387 WHLDVPPMQJTFKP-UHFFFAOYSA-N 446.960 3.882 0 40 IHAB Cc1ccc(N2CC(Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)=CC2=O)cc1 227163146 TXFLENSYGMYNLD-UHFFFAOYSA-N 426.523 3.595 0 40 IHAB COc1cccc(CN2CCC[C@H]([C@@H]3C[C@H](C(=O)Nc4ccccc4OC)CN3C)C2)c1 248130547 NCDNKBWKCYFGNK-HFMPRLQTSA-N 437.584 3.875 0 40 IHAB CC(=O)N1CCC(C(=O)N2CC3(CO[C@@H]4c5cc(Cl)ccc5OC(C)(C)[C@H]4C3)C2)CC1 257211507 BZCGLDDMVDKMRY-PZJWPPBQSA-N 446.975 3.676 0 40 IHAB Cc1ccc(CC(=O)N2CCC[C@H](c3nc(C)c(CC(=O)NC4CCCC4)c(C)n3)C2)cc1 257215949 CSJYKAVTZKSGKT-QFIPXVFZSA-N 448.611 3.952 0 40 IHAB COc1ccc(F)cc1-c1cccc(CC2(C(=O)NCCc3cnc[nH]3)CCOCC2)c1 257321432 WBRBFZXSYIQHAP-UHFFFAOYSA-N 437.515 3.923 0 40 IHAB Cc1csc(Nc2cccc([C@@H]3CN(C(=O)CCn4ncc5ccccc54)CCO3)n2)n1 257335165 YIXZLIYGATUNLT-FQEVSTJZSA-N 448.552 3.930 0 40 IHAB Cc1cc(C)cc(N([C@H](C)C(=O)Nc2nnc(-c3ccccc3)s2)S(C)(=O)=O)c1 260767653 OFFHKQIGXSHMGW-OAHLLOKOSA-N 430.555 3.615 0 40 IHAB CC[C@H](NC(=O)[C@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 260928777 KTWXJZUPVYTJQZ-SBUREZEXSA-N 444.597 3.996 0 40 IHAB COc1cc(NS(=O)(=O)c2ccc(NC(=O)N3CCCC3)cc2)c(OC)cc1Cl 408592426 KIRBXMKVLGODGF-UHFFFAOYSA-N 439.921 3.786 0 40 IHAB CCOC(=O)c1c(-n2c(C)cc([C@H]3NC[C@@H](C(=O)O)S3)c2C)sc2c1CCCC2 408980763 XFKBATWRIYMLJJ-WMZOPIPTSA-N 434.583 3.999 0 40 IHAB O=C(/C=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1)NCc1ccc(Cl)cc1 409167870 OWERARYKMVULSV-OUKQBFOZSA-N 430.913 3.741 0 40 IHAB Cc1ccc(NC(=O)Cc2nnc(SCC(=O)Nc3cccc(Cl)c3C)n2C)cc1 409338007 BGNCMBHSRROSBL-UHFFFAOYSA-N 443.960 3.997 0 40 IHAB CC(C)CCNC(=O)CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1 409390743 VQQXFHBXWFEHKT-UHFFFAOYSA-N 426.941 3.832 0 40 IHAB O=C(CCNS(=O)(=O)c1cccs1)N1CCCC[C@@H]1c1ncc(-c2ccccc2)[nH]1 507305896 WFGQFTOOYBLAPE-GOSISDBHSA-N 444.582 3.560 0 40 IHAB CC(C)(NC(=O)c1cccc(F)c1)C(=O)N1CCOC[C@@H](Cc2cccc3ccncc23)C1 585262064 HPSCFEFRGGMXBK-SFHVURJKSA-N 449.526 3.600 0 40 IHAB Cc1cc(C)nc(Nc2cc([C@@H]3CCCN(C(=O)/C=C/c4cccnc4)C3)nc(C)n2)n1 585292600 LCLAEDHJBAYUIU-NDDJGDGRSA-N 429.528 3.750 0 40 IHAB O=C(NCCOc1cccc(F)c1)c1ccc(C(=O)NCCOc2cccc(F)c2)cc1 642272299 ZWRWLGILXODRDL-UHFFFAOYSA-N 440.446 3.582 0 40 IHAB O[C@@]1(COc2ccccc2F)CCCN(Cc2cccc(OCCn3cccn3)c2)CC1 2037928497 SSAQHBHTOCWBDE-VWLOTQADSA-N 439.531 3.897 0 40 IHAB Cc1ccc(CNC(=O)[C@H]2C[C@@]3(CO2)CN(Cc2cccc(C(F)(F)F)c2)CCO3)cc1 2056226611 WFDUKOVKFNJQHK-GGAORHGYSA-N 448.485 3.690 0 40 IHAB COc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2C)CCCC4)c(OC)c1 877588 NGPGCGHMTPBTHS-UHFFFAOYSA-N 445.566 3.622 0 40 IHAB COc1cccc(C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2cccc(OC)c2)c1 1511801 MJTUOTYYZKPBPD-UHFFFAOYSA-N 430.460 3.647 0 40 IHAB CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)N2CCOCC2)cc1 6858841 QMXOFABGHOVZOF-UHFFFAOYSA-N 425.554 3.583 0 40 IHAB CSc1nc(NC(C)C)c2cnn(CCNC(=O)COc3ccc(C(C)C)cc3)c2n1 8941732 DAGQUDFPIURDEZ-UHFFFAOYSA-N 442.589 3.687 0 40 IHAB O=C1N[C@@H](c2ccc(Br)cc2)[C@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1 9030198 CELBTHLFXVNITK-TYNCELHUSA-N 449.248 3.615 0 40 IHAB Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cc(C)ccc3C)nc2N)cc1 9152147 JWINWADXHKEWSA-UHFFFAOYSA-N 442.566 3.548 0 40 IHAB CCCN1C(=O)C(C)(C)COc2cc(NS(=O)(=O)c3ccc(OC)cc3C)ccc21 9167808 BILHRFVXPPGFBO-UHFFFAOYSA-N 432.542 3.966 0 40 IHAB COc1ccc(-c2nnc3ccc(SCC(=O)Nc4ccc(C)cc4)nn23)cc1OC 9415361 LPJDOUCJQCNANO-UHFFFAOYSA-N 435.509 3.848 0 40 IHAB CCn1c(S[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)nnc1-c1ccccc1 9485079 BOLDGDUTYJAISP-QGZVFWFLSA-N 437.569 3.921 0 40 IHAB O=C(Nc1ccc2c(c1)OCCCO2)c1cccc(S(=O)(=O)NCc2ccccc2)c1 9509624 QBXJWZJJIJJTOK-UHFFFAOYSA-N 438.505 3.579 0 40 IHAB CC(=O)Nc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)cc1 9511209 LJOPQWYDUMPXDB-UHFFFAOYSA-N 429.542 3.770 0 40 IHAB CCOC(=O)c1c(NC(=O)c2ccccc2OC)sc2c1CCN(C(=O)OCC)C2 9639291 SBKJHJPZHWCYCI-UHFFFAOYSA-N 432.498 3.700 0 40 IHAB Cc1cc(C)cc(-c2nnc(SCc3cccc(S(=O)(=O)N4CCOCC4)c3)o2)c1 9669483 SNMNCNNZWNMCKW-UHFFFAOYSA-N 445.566 3.667 0 40 IHAB COc1ccc(CN(C)S(=O)(=O)c2ccc(Br)cc2Cl)cc1OC 9683371 PKKPNXUJLKNTFO-UHFFFAOYSA-N 434.739 3.940 0 40 IHAB COc1cccc(NC(=O)CSc2nnc(-c3ccccc3OC)n2-n2cccc2)c1 9738333 YCBKWZQXNNZICF-UHFFFAOYSA-N 435.509 3.806 0 40 IHAB COc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)c1cccc(N2CCCC2=O)c1 9868655 SDSPEQWUMPSQDB-UHFFFAOYSA-N 447.491 3.696 0 40 IHAB CCc1ccc(OCC(=O)Nc2ccccc2C(=O)NCCCOC)c(Br)c1 10472586 NFVODSZNKHSRCY-UHFFFAOYSA-N 449.345 3.795 0 40 IHAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)OCc3cc(=O)n4c(C)csc4n3)c12 10773370 YKRGNBNBSIUIMB-UHFFFAOYSA-N 445.504 3.679 0 40 IHAB Cc1cc(C)cc(-n2c(SCC(=O)Nc3nc(C)cs3)nc3c(c2=O)SCC3)c1 12140571 YTQBFOWCBSMYHG-UHFFFAOYSA-N 444.607 3.993 0 40 IHAB CC(=O)N1c2ccc([C@H](O)CN3CCC[C@@](O)(c4ccc(F)cc4)CC3)cc2C[C@H]1C 12188759 JAKBBXJVHXQKSW-JHTITAFHSA-N 426.532 3.530 0 40 IHAB COc1ccc2nc(-c3ccc(C)c(NS(=O)(=O)c4ccc(C(C)=O)cc4)c3)cn2n1 12441337 ZLVKMFSEDIERLN-UHFFFAOYSA-N 436.493 3.717 0 40 IHAB COc1ccc([C@@H](CNC(=O)c2ccccc2OCc2cn3ccccc3n2)N(C)C)cc1 12582887 GAWVFAVISUGDHP-HSZRJFAPSA-N 444.535 3.955 0 40 IHAB O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)NCc1ccccc1OC(F)F 12824743 PPZPVDLPLDAZII-UHFFFAOYSA-N 433.480 3.714 0 40 IHAB Cc1ccc(-c2nnc(S)n2CC(=O)N(C)CC(=O)Nc2c(C)cc(C)cc2C)cc1 12983354 NVKMGXXJQYDYPM-UHFFFAOYSA-N 437.569 3.565 0 40 IHAB O=C(Nc1ccc(N2CCc3sccc3C2)nc1)[C@H]1CCCN(C(=O)c2ccco2)C1 13012253 UYOVVLAHVHUVPQ-KRWDZBQOSA-N 436.537 3.790 0 40 IHAB COc1cc(NC(=O)c2ccco2)c(C(=O)NCCCn2cnc3ccccc32)cc1OC 15372631 SMMCFHBYQYBLMO-UHFFFAOYSA-N 448.479 3.719 0 40 IHAB CC(C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2cccc(Cl)c2)o1 16013256 YTHPSGFHTPDZEX-CQSZACIVSA-N 429.926 3.919 0 40 IHAB CC(=O)c1sc(NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)nc1-c1ccccc1 18119233 LSTDSJDWIKPOJA-UHFFFAOYSA-N 433.489 3.914 0 40 IHAB Cc1ccc(-c2cccc(C[C@]3(C(=O)N(C)C)CCN(C(=O)c4cnc(C)cn4)C3)c2)cc1 19212608 KCXPMSHTICOIRF-HHHXNRCGSA-N 442.563 3.924 0 40 IHAB CO[C@@H]1CCC[C@H](C(=O)NC2CCN(c3ncc(-c4ccncc4)c(C(C)C)n3)CC2)C1 19451585 JOQXFSZBTWCUII-PZJWPPBQSA-N 437.588 3.952 0 40 IHAB CCN1CCN(C(=O)c2cncn2CC)C[C@@H](Cc2ccccc2-c2cccs2)C1=O 19578444 WVRLQNMHEZFRSG-LJQANCHMSA-N 436.581 3.795 0 40 IHAB Cc1nc([C@H]2CCN(C(=O)Cc3c(C)noc3C)C2)nc2c1CCCN2Cc1ccccc1 19707558 MLUDMVVBZWEGQV-NRFANRHFSA-N 445.567 3.901 0 40 IHAB Cc1ccc([C@@H]2CCCN2C(=O)Cn2cc(C(=O)NCc3ccccc3)ccc2=O)cc1C 19751655 HMZJAZLLAXQFKG-DEOSSOPVSA-N 443.547 3.759 0 40 IHAB O=C(C[C@@H]1C(=O)Nc2nc(-c3ccc(Cl)cc3)nn21)Nc1ccc(Br)cc1 20721760 XOUTUAXRSOEMNW-CQSZACIVSA-N 446.692 3.883 0 40 IHAB O=C(CSc1ccc(F)c(F)c1)Nc1c(C(=O)N2CCOCC2)oc2ccccc12 21630896 GHHFNXWFESCTSR-UHFFFAOYSA-N 432.448 3.914 0 40 IHAB COc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)CC1=O 21692797 SVAMNIWZFFGDMD-GFCCVEGCSA-N 437.279 3.537 0 40 IHAB CCOc1ccc(CCCNC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)cc1 22336659 WFXQOQMAUAOJNF-UHFFFAOYSA-N 438.977 3.562 0 40 IHAB CCc1ccc([C@@H](c2sc3nc(CC)nn3c2O)N2CCC(C(=O)OC)CC2)cc1 22853646 CZOZWELGKMPWMN-SFHVURJKSA-N 428.558 3.596 0 40 IHAB COc1ccc([C@@H](CNC(=O)c2sc(-c3cccs3)nc2C)N2CCOCC2)cc1 23956250 QLRCCAHHVQTAQG-GOSISDBHSA-N 443.594 3.992 0 40 IHAB COc1ccc(/C=C/c2nc3s/c(=C\c4ccc(Br)cc4)c(=O)n3n2)cc1 27022218 YLZOMULBTACJMJ-PWFSRHFBSA-N 440.322 3.640 0 40 IHAB CCc1cccc(-n2c(SCc3noc(-c4ccco4)n3)nnc2N2CCOCC2)c1 30923626 BTQUOZWTUMKSKY-UHFFFAOYSA-N 438.513 3.602 0 40 IHAB CCOC(=O)c1cc2c(C)n(-c3ccc(C(=O)O)cc3)c(C)c2cc(C(=O)OCC)c1=O 31903705 JSRZVQWSTWYTAR-UHFFFAOYSA-N 437.448 3.659 0 40 IHAB COc1ccc2nc(-n3ncc4c3N=C(O)C[C@]43C(=O)N(C)c4ccccc43)sc2c1 32102886 AAVXKQUVWCAZIV-JOCHJYFZSA-N 431.477 3.745 0 40 IHAB CCn1c(SCC(=O)Nc2ccc(F)cc2C)nnc1[C@H](C)NC(=O)c1ccco1 32579618 PTFUSNDKVYYQDL-ZDUSSCGKSA-N 431.493 3.560 0 40 IHAB CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)/C=C/c1ccccc1Cl 32999602 SBXCVPYXSBAKKT-MDZDMXLPSA-N 427.888 3.656 0 40 IHAB CCn1c(SCC(=O)NC2CCCC2)nnc1[C@@H](C)NC(=O)c1ccccc1Cl 33509190 XLZDSSPFNVHKCO-CYBMUJFWSA-N 435.981 3.593 0 40 IHAB CCn1c(SCC(=O)NCc2ccccc2)nnc1[C@H](C)NC(=O)c1ccccc1C 33717272 FZBRQXQGOPYGGI-KRWDZBQOSA-N 437.569 3.506 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)NCCN1C(=O)S/C(=C/c2ccccc2)C1=O 35352391 DVLISQAPDRQZCN-HMMYKYKNSA-N 446.532 3.955 0 40 IHAB COc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2CC(C)C)c(OC)c1 57426202 SSZWLDZQQYTFHC-UHFFFAOYSA-N 433.555 3.862 0 40 IHAB Cc1ccccc1-n1c(=O)c2sccc2n(CC(=O)Nc2cccc(Cl)c2)c1=O 57489708 DLYRFQMBGAGXBG-UHFFFAOYSA-N 425.897 3.814 0 40 IHAB Cc1cc(N2CCCC2=O)ccc1S(=O)(=O)N(Cc1ccsc1)c1cccnc1 60379070 CVNGFSWLQSWOQZ-UHFFFAOYSA-N 427.551 3.974 0 40 IHAB CC(=O)N(Cc1ccccc1)c1nc2ccccc2n(CC(=O)Nc2ccccc2)c1=O 64987695 APKDYSQTLOVDMC-UHFFFAOYSA-N 426.476 3.588 0 40 IHAB O=C(NC[C@@H]([C@@H]1CCOC1)N1CCCC1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 69922992 VGUXDHGVXTYXJK-UZLBHIALSA-N 440.510 3.928 0 40 IHAB CC(C)CCN(C)C(=O)[C@H](Cc1cn(Cc2ccccc2)cn1)NC(=O)OC(C)(C)C 84510375 BKKQULLIJBNGHU-NRFANRHFSA-N 428.577 3.872 0 40 IHAB Cc1nc(-c2ccccc2F)sc1CNC(=O)C[C@@H]1CSc2nc(C)c(C)c(=O)n21 90592963 YQDDFQWZLDICQY-CQSZACIVSA-N 444.557 3.784 0 40 IHAB O=C(Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)N1CCC[C@@H](c2nnc3n2CCC3)C1 95454968 QCODRCLXMCVEFT-CQSZACIVSA-N 445.449 3.840 0 40 IHAB COc1ccc2cc([C@@H]3CC(=O)Nc4ccc5nn(-c6ccccc6)nc5c43)c(=O)[nH]c2c1 96117499 NRPQHQAVESERIP-KRWDZBQOSA-N 437.459 3.745 0 40 IHAB COc1ccc2c(C)c(CC(=O)NCc3nc4ccccc4n3C(C)C)c(=O)oc2c1OC 96222793 QMTAOGWKVBADIL-UHFFFAOYSA-N 449.507 3.908 0 40 IHAB biogenic O=C(CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)N(Cc1ccccc1F)C1CC1 96905384 XXJLZDWPVXATSN-UHFFFAOYSA-N 436.453 3.553 0 40 IHAB CO[C@H]1CC[C@H](C(=O)NC2CCN(Cc3cc(-c4ccc(F)cc4)nn3C)CC2)CC1 100156609 GRRGZOLTNQQQNX-CXGRPWHSSA-N 428.552 3.512 0 40 IHAB COC(=O)[C@@]1(c2ccccc2)N[C@@H](c2ccccc2C)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 100421361 SVOQZGUANHTOFH-FAWUNYRSSA-N 440.499 3.514 0 40 IHAB COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4OC)C(=O)[C@H]3ON2c2ccccc2)cc1 100536435 ARZHICNHPZMVIN-ZRBLBEILSA-N 430.460 3.755 0 40 IHAB COc1ccc(OC)c([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)c1 101050468 BXPASGIBSLOURW-VJBWXMMDSA-N 430.460 3.755 0 40 IHAB CC1(C)C[C@@H]2C[C@](C)(CN2[C@H](C(=O)O)c2c[nH]c3cc(NC(=O)CCC(=O)O)ccc23)C1 101653561 WDMRDUHOSJOFOP-SJODRWRQSA-N 441.528 3.998 0 40 IHAB CCNC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc3c(c1)OCO3)CC2 102444743 BFKQJQIDSWXLQN-WJDWOHSUSA-N 430.460 3.743 0 40 IHAB CCOC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1 113875032 AKXRBHNPXIARLB-UHFFFAOYSA-N 432.723 3.861 0 40 IHAB COC(=O)c1cccc(NC(=O)c2cccc(NC(=O)c3ccc(OC)c(OC)c3)c2)c1 139015019 WXDKZEAMXBOXSK-UHFFFAOYSA-N 434.448 3.995 0 40 IHAB Cc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2)cc1 216411735 JYWJHJZHYANQGY-UHFFFAOYSA-N 434.989 3.849 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)c(Cl)c1 216447381 CDXMHLXUVXMPAI-AWEZNQCLSA-N 438.933 3.618 0 40 IHAB COC[C@@]1(CN)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Br)cc1 218240318 DTPFLKOMZAQSHM-OKZBNKHCSA-N 444.778 3.634 0 40 IHAB Cc1ccc(SCCNC(=O)CN(c2ccc(C(F)(F)F)cc2)S(C)(=O)=O)cc1 220041734 FOSFWZRHHVGEOM-UHFFFAOYSA-N 446.516 3.688 0 40 IHAB CC(=O)c1cccc(NC(=O)[C@@H](C)N(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1 220196916 SPFSGFYWQGJIJO-GFCCVEGCSA-N 428.432 3.701 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)[C@H](C)N(c2cccc(F)c2)S(C)(=O)=O)cc1 220479928 OVNONDWLXISWNV-HNNXBMFYSA-N 436.505 3.576 0 40 IHAB COc1cc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)c(OC)cc1Cl 222517369 RTUBFUOEWRUJIP-UHFFFAOYSA-N 433.313 3.659 0 40 IHAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1cc(OC)cc(OC)c1 223130264 WAVUHMDHIXJYMS-LJQANCHMSA-N 442.556 3.725 0 40 IHAB C[C@H](C(=O)NCc1cccc(C(F)(F)F)c1)N(c1ccc(Cl)cc1)S(C)(=O)=O 223270775 DNFHIWMXOQSFCJ-GFCCVEGCSA-N 434.867 3.830 0 40 IHAB Cc1ccc(OCCNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1C 223715647 DEKBCYJRZJTPPF-UHFFFAOYSA-N 445.368 3.571 0 40 IHAB Cc1ccc(Cl)cc1N([C@@H](C)C(=O)NCCOc1ccccc1Cl)S(C)(=O)=O 224044283 LBVPOIHAOFWCKF-AWEZNQCLSA-N 445.368 3.652 0 40 IHAB CCCc1ccc(OCCNC(=O)[C@H](CC)N(c2ccc(C)cc2)S(C)(=O)=O)cc1 224305596 GXBFRQSDLUPBST-QFIPXVFZSA-N 432.586 3.687 0 40 IHAB O=C1CC2(CCN(S(=O)(=O)c3cccs3)CC2)Oc2c1cccc2C(F)(F)F 225827650 NSCKYHZOACRYTI-UHFFFAOYSA-N 431.457 3.956 0 40 IHAB COC(=O)[C@H](NC(=O)c1cnc(OC2CCOCC2)c(Cl)c1)c1ccc(Cl)cc1 238832310 GEZUZGOTERCFOA-QGZVFWFLSA-N 439.295 3.590 0 40 IHAB O=C(Nc1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN12 247743916 PHGWNIYLGMQIHQ-LWSSLDFYSA-N 435.483 3.841 0 40 IHAB CCn1cc(-c2cc(C(=O)N3[C@@H](Cc4ccccc4)[C@@H]4C[C@@]5(C)[C@H](CCC[C@@H]35)N4)on2)cn1 257221838 DQSMEWQFHPCWFP-XYYTWLRXSA-N 445.567 3.914 0 40 IHAB CC(=O)Nc1cc(NC(=O)CN2CCOC[C@@H](Cc3cccc4occc34)C2)ccc1C 257315356 VAYVKSSFPGLCED-IBGZPJMESA-N 435.524 3.829 0 40 IHAB COc1ccc(-c2nc([C@H]3CC[C@H](CNC(=O)[C@H]4CC45CCC5)CC3)[nH]c2C(N)=O)cc1 257344766 ZYPCCSSRKTXFAP-SZVBFZGTSA-N 436.556 3.764 0 40 IHAB O=C(CC1CCCC1)N1CCC[C@]2(CC1)CN(c1ncccn1)CC21CN(CC2CC2)C1 306123405 AMDJTSIJVHYHKP-VWLOTQADSA-N 437.632 3.588 0 40 IHAB O=C(NCc1ccccc1)c1cnn2c1CN(Cc1ccc(F)cc1)Cc1cccnc1-2 306139698 TXXYABLTDHXMJT-UHFFFAOYSA-N 427.483 3.852 0 40 IHAB Cc1ccc(-c2ccc(CCC(=O)O)n2NC(=O)C(=O)Nc2cccc(Cl)c2)cc1 408559972 BLAGIAKTEJNODZ-UHFFFAOYSA-N 425.872 3.843 0 40 IHAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3cccnc3)cc2)cc1Cl 408600389 AMHRWQFGUUIPOC-UHFFFAOYSA-N 445.928 3.539 0 40 IHAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 408695338 RWACOAXLHMHQHQ-GOSISDBHSA-N 445.585 3.708 0 40 IHAB COc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccccc3C)[C@@H]2c2ccc(Cl)cc2)cc1 409059075 OVBONPFCSQLIQT-VNGKGULCSA-O 448.930 3.673 0 40 IHAB O=C1C[C@@H](c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)N2NC=NC2=N1 409378974 TUXWAARJKZFQDC-HNNXBMFYSA-N 433.693 3.857 0 40 IHAB Cc1ccccc1OC[C@@]1(O)COCCN(C[C@]2(O)CC[C@@H](c3ccccc3)CC2)C1 585286699 HVUPOVPIMZIECS-DMDYGQEQSA-N 425.569 3.526 0 40 IHAB Cc1ccc(N(CC(=O)NCc2ccncc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C 665604 JWWFFADOVHOPOT-UHFFFAOYSA-N 443.956 3.864 0 40 IHAB COc1cccc(OC)c1C(=O)Nc1ccc(N2CCN(C(=O)C(C)C)CC2)c(Cl)c1 806961 PVCMCMRDUGLLBB-UHFFFAOYSA-N 445.947 3.914 0 40 IHAB CCOCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccccc2C)C1=O 2108454 NJCYRDFGCFLQBR-WIOPSUGQSA-N 431.536 3.588 0 40 IHAB biogenic Cc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3ccc(Cl)cc3C)n2C)c1 2425242 FGRZDHQFZQGZBH-UHFFFAOYSA-N 443.960 3.746 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)cc1C 2629010 NUTAZMYZCZYFSR-UHFFFAOYSA-N 427.353 3.757 0 40 IHAB O=C(CSc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2o1)Nc1ccccc1F 3428601 JFECWRAYQJXSBC-UHFFFAOYSA-N 449.529 3.872 0 40 IHAB CCc1cc2c(=O)n(CCc3ccccc3)c(SCC(=O)N3CCCC3)nc2s1 3447601 QMTMYBJCYTXIRO-UHFFFAOYSA-N 427.595 3.978 0 40 IHAB O=C(OCc1nnc(-c2cccs2)o1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 3555300 UJGYFJMOWNEEQM-UHFFFAOYSA-N 435.417 3.544 0 40 IHAB Cn1cnnc1SCC(=O)Nc1ccc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1 8186095 FWDQATLUPVKPCY-SZVBFZGTSA-N 427.574 3.635 0 40 IHAB CCN1C(=O)N/C(=C/c2cc(Br)ccc2OCc2ccc(C(=O)O)cc2)C1=O 8451893 GHZGMBGVSOJGCI-MHWRWJLKSA-N 445.269 3.639 0 40 IHAB COc1ccc(-c2cc(=O)oc3cc(O[C@@H](C)C(=O)NCc4ccncc4)ccc23)cc1 8791181 IIYFNQJOFAYADT-INIZCTEOSA-N 430.460 3.947 0 40 IHAB biogenic O=C1Oc2ccccc2[C@@H]2Oc3c(c(=O)oc4ccccc34)[C@@]3(C(=O)Nc4ccccc43)[C@H]12 8856957 SZXKKLUZNAQNME-ZVOVDXHFSA-N 437.407 3.700 0 40 IHAB CC/C(Nc1cc(OC)ccc1OC)=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 9012488 GCLPIHLANUSPLF-OBGWFSINSA-N 429.860 3.716 0 40 IHAB COc1ccccc1NS(=O)(=O)c1ccc(C)c(NC(=S)NC(=O)c2ccco2)c1 9138415 GDPOOCNYNRORGL-UHFFFAOYSA-N 445.522 3.524 0 40 IHAB CCCSc1nsc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)n1 9222532 JHDLCDYBLUPLFF-OAHLLOKOSA-N 440.616 3.531 0 40 IHAB COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN(C)C)[C@@H]3c1ccc(Cl)cc1 9253071 JSVWKJXNDSPDLE-HXUWFJFHSA-N 426.900 3.952 0 40 IHAB CCn1c(SCC(=O)c2ccc(OC)c(OC)c2)nnc1-c1ccc(OC)c(OC)c1 9289937 IDFCNXBJNPYYGE-UHFFFAOYSA-N 443.525 3.974 0 40 IHAB C[C@H]1CCc2nc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3cccs3)sc2C1 9663919 UPEUVEYJBVAJIC-GXTWGEPZSA-N 425.601 3.511 0 40 IHAB Cc1ccc2c(COC(=O)c3cc(S(=O)(=O)N(C)C)ccc3Cl)cc(=O)oc2c1C 9665732 LMEZEKYFDLHYSK-UHFFFAOYSA-N 449.912 3.671 0 40 IHAB O=C1N[C@@H](c2cccc(Br)c2)[C@@H](C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 9704294 QFHWXDRJPSSTMX-GRDNDAEWSA-N 443.219 3.553 0 40 IHAB COc1ccc(NC(=O)CCc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc1 9851403 VYMLPAWHYNRVCE-UHFFFAOYSA-N 438.549 3.788 0 40 IHAB O=C(CN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc12)NCc1ccc2c(c1)OCO2 9933325 QGCCNGQQAUYMGC-VWLOTQADSA-N 439.471 3.758 0 40 IHAB C[C@@H]1CCc2ccccc2N1C(=O)COC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 11230908 BREOXDMFXKILSF-UYAOXDASSA-N 435.524 3.842 0 40 IHAB CCc1cc(=O)oc2cc(OC(=O)[C@@H](NS(=O)(=O)c3ccc(C)cc3)C(C)C)ccc12 11867500 MOGSNQDPWWYEKT-QFIPXVFZSA-N 443.521 3.572 0 40 IHAB biogenic CCc1ccc(-n2ccc(=O)c(C(=O)Nc3nc(C)c(C(=O)OCC(C)C)s3)n2)cc1 11915088 OILSDAAOOJSKJQ-UHFFFAOYSA-N 440.525 3.625 0 40 IHAB COc1ccc([C@H](CNC(=O)COc2ccc(Br)cc2)N2CCCC2)cc1 12062765 AAQLMSDNAFQARB-FQEVSTJZSA-N 433.346 3.790 0 40 IHAB C[C@@H](Sc1nnc(-c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)n1C)C(=O)N1CCNC1=O 12600948 ZHDKBVFURPBVHU-TZMCWYRMSA-N 447.630 3.727 0 40 IHAB COc1ccc(N(Cc2cccs2)C(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1 12685326 BIBIAQOIKRTSPA-UHFFFAOYSA-N 441.553 3.935 0 40 IHAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2ccccc2C(=O)Nc2ccccc2)c1C 12797547 MMECZNPEPWTRBE-UHFFFAOYSA-N 433.464 3.882 0 40 IHAB CC(C)(C)NC(=O)[C@@H](c1ccccn1)N(C(=O)c1csnn1)c1ccccc1Cl 12870862 KGFFOZNAZGODNL-QGZVFWFLSA-N 429.933 3.889 0 40 IHAB CCOc1ccc([C@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 12994485 VTEWGVYIXPBCKK-HSZRJFAPSA-N 442.581 3.850 0 40 IHAB Cc1ccc(N(CC(=O)NC2CCCC2)C(=O)CCC(=O)Nc2nc(C)cs2)cc1 13505659 QGEIBXPNEXHHLG-UHFFFAOYSA-N 428.558 3.571 0 40 IHAB COc1ccccc1CN1C(SCc2ccc(Cl)cc2)=N[C@@H]2CS(=O)(=O)C[C@@H]21 13692807 RNQZCBGGSRTSPC-MSOLQXFVSA-N 436.986 3.619 0 40 IHAB CCCOC(=O)c1ccc(NC(=O)[C@@H](CC(C)C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 14244523 IQJTYTKCRBOFML-HSALFYBXSA-N 426.513 3.558 0 40 IHAB COCc1nn2c3c(nnc2c1-c1ccc(OC)cc1)C(=O)C[C@@H](c1ccccc1O)C3 14607763 UEYYWTSWKLMUEG-HNNXBMFYSA-N 430.464 3.565 0 40 IHAB Cc1ccc(C(=O)OCc2c(Cl)cccc2Cl)cc1S(=O)(=O)N1CCOCC1 15912523 OLKROGNEWWASEX-UHFFFAOYSA-N 444.336 3.680 0 40 IHAB NC(=O)[C@@H]1CCCCN1Cc1cc(Br)cc2c1O[C@H](c1ccccc1)OC2 16047072 OWILTCXTEWYWNM-GHTZIAJQSA-N 431.330 3.897 0 40 IHAB COCCOC(=O)CCc1nc2cc(C(F)(F)F)ccc2n(Cc2ccccc2)c1=O 18258699 BNXGLAAHILHFSV-UHFFFAOYSA-N 434.414 3.586 0 40 IHAB COc1ccc(-n2ncc(C(=O)[C@H]3CCCN(Cc4ccc(NC(C)=O)cc4)C3)c2N)cc1 19022457 RXILZCZJCPOGBB-IBGZPJMESA-N 447.539 3.516 0 40 IHAB O=C(CN1CCO[C@@H](c2nccnc2-c2cccc(Cl)c2)C1)Nc1ccc(F)cc1 19693242 OUHVFNPMMOBRBF-LJQANCHMSA-N 426.879 3.948 0 40 IHAB CNc1cc(C(=O)N2CCO[C@H](c3c(C(=O)NC(C)C)sc4ccccc34)C2)ccn1 19697900 FBULAWZTEUGRJI-KRWDZBQOSA-N 438.553 3.690 0 40 IHAB O=C1NN=C(CS(=O)(=O)c2ccc(Br)c3ccccc23)Oc2ccccc21 19823953 OJFPJMCBZMUTRX-UHFFFAOYSA-N 445.294 3.512 0 40 IHAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 20002041 SQUKZKTYJAQVML-CYBMUJFWSA-N 426.420 3.548 0 40 IHAB Cc1cccc(CSCCNC(=O)CN(c2c(C)cc(C)cc2C)S(C)(=O)=O)c1 22388747 TXBPPLHJWBFXDR-UHFFFAOYSA-N 434.627 3.736 0 40 IHAB Fc1ccc([C@@H](c2nnnn2CCc2ccccc2)N2CCN(C3CCCC3)CC2)cc1 22929905 QQYCIFMLRQWVIC-DEOSSOPVSA-N 434.563 3.705 0 40 IHAB CCOc1ccccc1C(=O)N[C@H](C(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1)C(C)C 23563969 PKSFQCIPERBGFZ-JPYJTQIMSA-N 434.540 3.903 0 40 IHAB Cc1c(C(=O)Nc2ccc(N3CCCC3=O)cc2)cnn1-c1ccc(C(F)(F)F)cn1 23694216 LQMKUQIPOSWFSC-UHFFFAOYSA-N 429.402 3.974 0 40 IHAB CN(C)S(=O)(=O)c1ccc2nc(NC(=O)c3ccc(Br)cc3)sc2c1 23997118 MGTZRFRIEXWUMG-UHFFFAOYSA-N 440.344 3.561 0 40 IHAB Cc1cc(C)cc(-n2ncc3c(=O)n(CC(=O)N(C)[C@@H]4CCCc5ccccc54)cnc32)c1 24094273 XIEVXELLVMHNNE-HSZRJFAPSA-N 441.535 3.735 0 40 IHAB O=C(Nc1ccccc1I)c1cccc(NC(=O)[C@H]2CCCO2)c1 24257382 AYGFDGXLXXZGIY-MRXNPFEDSA-N 436.249 3.661 0 40 IHAB COc1cc(NC(=O)COC(=O)c2c(NC(=O)C3CC3)sc(C)c2C)cc(OC)c1 25444486 FOOIEEIFMSHELE-UHFFFAOYSA-N 432.498 3.526 0 40 IHAB CN(c1ccc2sc(C(=O)NC[C@H]3CCCO3)cc2c1)S(=O)(=O)c1ccc(F)cc1 28209059 YLSROTKCJIZJHS-QGZVFWFLSA-N 448.541 3.774 0 40 IHAB COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(N(C)C)cc2)c1 28835806 QEWUBUMWVKCJHI-UHFFFAOYSA-N 441.509 3.520 0 40 IHAB Cn1ccnc1[C@H](NC(=O)CSc1nnc(C2CC2)n1-c1ccccc1)c1ccccc1 28943314 CKQVTIMZDCQOJW-OAQYLSRUSA-N 444.564 3.876 0 40 IHAB O=C(C1=C(c2ccccc2)S(=O)(=O)CCO1)N(Cc1cccc(F)c1)c1ccccn1 32071914 RJULNKIIMKJKIW-UHFFFAOYSA-N 438.480 3.568 0 40 IHAB CCc1ccc(C(=O)NC(=S)Nc2ncc(I)cc2C)cc1 32125070 SMOHGLGJSXCDRQ-UHFFFAOYSA-N 425.295 3.684 0 40 IHAB COc1ccc(OC)c(N2C(SCc3ccc(C)c(C)c3)=N[C@H]3CS(=O)(=O)C[C@@H]32)c1 32641082 LZEJGOPQVWPHPR-ICSRJNTNSA-N 446.594 3.596 0 40 IHAB CC(C)c1ccc(NC(=O)[C@H](C)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)cc1 34889293 HDKYXMMRUSNBPA-MSOLQXFVSA-N 436.556 3.833 0 40 IHAB O=C1C[C@@H](C(=O)Nc2cccc3ccccc23)c2c(nc(Nc3ccc(F)cc3)[nH]c2=O)N1 40399627 DTNRKRCQOPPJJK-QGZVFWFLSA-N 443.438 3.870 0 40 IHAB Cc1ccc(NC(=O)Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3ccccc32)c(C)c1 51357817 FTKJFAWESXKQKH-UHFFFAOYSA-N 431.467 3.606 0 40 IHAB O=C(Nc1ccccc1O)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1 58356424 VPLZPPMOGZMFFB-UHFFFAOYSA-N 443.569 3.809 0 40 IHAB O=C(Cc1nc2ncccn2n1)Nc1nc2cc(Cl)ccc2n1CCCc1ccccc1 65626902 VHAJAIMTLRJLFZ-UHFFFAOYSA-N 445.914 3.941 0 40 IHAB Cc1ccc(-n2c(SCC(=O)Nc3ccc4c(c3)OCO4)nc3cc(C)[nH]c3c2=O)cc1 67237153 IHGGQFCXJIWCII-UHFFFAOYSA-N 448.504 3.790 0 40 IHAB CC(=O)Nc1nc(C(=O)O[C@@H]2CCC[C@H]2N2CCN(c3cccc(Cl)c3)CC2)cs1 72310691 GZCGLYCFLQKVTK-RTBURBONSA-N 448.976 3.655 0 40 IHAB Cc1c(C)n(Cc2ccccc2)c2ncnc(OC3CCN(C(=O)[C@H]4CCCO4)CC3)c12 72335982 QOFSVHGENNQKHN-OAQYLSRUSA-N 434.540 3.645 0 40 IHAB O=S(=O)(NCCN1CCC(c2cccs2)CC1)c1ccc(Br)s1 77104218 CLZQKOVSUIFGHW-UHFFFAOYSA-N 435.434 3.730 0 40 IHAB COc1ccc([C@@H](CNS(=O)(=O)CC[C@H]2CCCO2)c2c[nH]c3ccccc23)cc1 79095545 TZWZGMIKTFWGJW-TZIWHRDSSA-N 428.554 3.797 0 40 IHAB Cc1nc2cc(NC(=O)c3ccc(-c4nnn(C(C)C)n4)cc3)ccc2n1CCCN(C)C 96231981 WRXRAPPLNYJVJP-UHFFFAOYSA-N 446.559 3.783 0 40 IHAB COC(=O)[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2cc3cc(C)ccc3nc2C)CC1 96936861 KHJVETYPJQBJNA-HSZRJFAPSA-N 435.499 3.663 0 40 IHAB C[C@H](OC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 105126582 DYVFDWGLHXSYHP-VDRZXAFZSA-N 429.561 3.803 0 40 IHAB Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)CC2)c(C)c1 105881797 XIKCJKLBEFBPSZ-LGGPRVQUSA-N 432.630 3.953 0 40 IHAB Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@]4(C(=O)Nc5c4ccc(Cl)c5C)[C@@H]3C2=O)cc1C 107177043 FONMBQOIDBZWCY-ZDQHKECQSA-N 449.938 3.696 0 40 IHAB CC[C@@H](NC(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O)c1ccc(OC)c(OC)c1 219623580 UPHAPMGWFRKNAJ-HXUWFJFHSA-N 448.585 3.826 0 40 IHAB Cc1cccc(N([C@@H](C)C(=O)Nc2ccc(Br)cc2F)S(C)(=O)=O)c1 220134749 FJOLCTNDTWIRTR-LBPRGKRZSA-N 429.311 3.690 0 40 IHAB CC[C@H](C(=O)N1CCCc2ccccc21)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 222496147 NNEADFOGCDMQDG-QGZVFWFLSA-N 436.961 3.873 0 40 IHAB COC(=O)c1cn(C(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)c2ccccc12 222591702 VIIDYJONBKFBHT-MRXNPFEDSA-N 428.510 3.540 0 40 IHAB COc1cc(OC)cc(OCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC(C)(C)C)c1 222700565 MIIBOELQKMWZCB-GOSISDBHSA-N 442.556 3.723 0 40 IHAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCCN2CCc3ccccc3C2)cc1 223347692 BABQKNQPORSTKU-BWAHOGKJSA-N 443.547 3.924 0 40 IHAB O=C(NCCO)[C@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 223421283 IGVPRUKLONPDDT-DEOSSOPVSA-N 436.939 3.761 0 40 IHAB OCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(C(F)(F)F)c1 223586221 OQURBSSLIKLRQJ-OALUTQOASA-N 432.471 3.856 0 40 IHAB COc1ccc(Br)cc1S(=O)(=O)Nc1nnc(-c2ccccc2)s1 223755908 SZNHKLGYXWZQOP-UHFFFAOYSA-N 426.317 3.777 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)NCCCN3CCC(C)CC3)c2)cc1 224262753 LADHIJLHVZBVMQ-UHFFFAOYSA-N 443.613 3.672 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(Cl)c(C(F)(F)F)c2)cc1C 224648869 HLAIFMPIISWCFP-UHFFFAOYSA-N 437.823 3.956 0 40 IHAB CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(OC)c(OC)c1 224734486 WCXPKJMWKVDECL-IBGZPJMESA-N 426.557 3.888 0 40 IHAB O=C(c1snnc1-c1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 225771425 RCPBOGAOFWMHQF-UHFFFAOYSA-N 442.928 3.545 0 40 IHAB CC(=O)N1CCc2cc(S(=O)(=O)Nc3nnc(-c4ccc(Cl)cc4)s3)ccc21 225872048 MCYKKPKBXLCIAZ-UHFFFAOYSA-N 434.930 3.568 0 40 IHAB COc1cc(-c2nc3sc(=Cc4cccc5ccccc45)c(=O)n3n2)cc(OC)c1OC 254821769 HOKOZIFBBNVZAJ-UHFFFAOYSA-N 445.500 3.545 0 40 IHAB COc1cccc(-c2cncc([C@@H]3CN(C(=O)Cc4c[nH]c5ccccc45)CCO3)n2)c1 257227630 FQEWHGITCSLRER-DEOSSOPVSA-N 428.492 3.776 0 40 IHAB CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cnc(C)cn1 257296093 RBEZCMJZEKHUGA-CAIUVPPLSA-N 432.568 3.790 0 40 IHAB CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NC2CCCCCC2)CC1 408558212 PVWRDODLYXDZLZ-UHFFFAOYSA-N 443.009 3.978 0 40 IHAB COC(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=O)N3CCCCCC3)cc2)cc1 408582539 DBAZRXLQWOZXOZ-UHFFFAOYSA-N 431.514 3.682 0 40 IHAB Cc1ccc(C(=O)N2CCC(C(=O)N3CCN(c4cccc(Cl)c4)CC3)CC2)cc1 409052518 KAIMNAHFNQAVLJ-UHFFFAOYSA-N 425.960 3.849 0 40 IHAB CCOc1cc(C(=S)N2CCOCC2)ccc1OCC(=O)Nc1cc(C)cc(C)c1 409229823 VLXUKHVUVVCIFK-UHFFFAOYSA-N 428.554 3.727 0 40 IHAB Cn1c(CSCc2ccc(F)cc2)nnc1SCC(=O)Nc1ccc(C(=O)O)cc1 409358961 IAUGEVJFVOWSLX-UHFFFAOYSA-N 446.529 3.817 0 40 IHAB CCC(=O)N1CC[C@@H](c2cc3nc(C)c(CCC(=O)N4C[C@@H](C)C[C@@H](C)C4)c(C)n3n2)C1 409412895 HCKRMXYKBXGGGX-FUHIMQAGSA-N 439.604 3.509 0 40 IHAB O=C(Nc1cccc(Cn2cccnc2=O)c1)c1cnn(-c2ccc(C(F)(F)F)cc2)c1 507718698 PKWYKXBGKNANBG-UHFFFAOYSA-N 439.397 3.748 0 40 IHAB Cc1noc(C)c1C(=O)NC[C@@H]1CC[C@@H]2CN(C(=O)c3ccccc3)c3ccccc3CN12 585110136 NMBWSBITNVBAJJ-FCHUYYIVSA-N 444.535 3.715 0 40 IHAB Cn1cc(CC(=O)N2CCC(COc3ncc(Br)cn3)CC2)c2ccccc21 1775969805 LSGPKDRUBZUXNL-UHFFFAOYSA-N 443.345 3.591 0 40 IHAB Cc1ccc(CN(C[C@@H]2CCCO2)C(=O)CN2C(=O)[C@H](C(C)C)Oc3ccccc32)o1 1362027 LHIXRGFSBQWCNU-MBSDFSHPSA-N 426.513 3.546 0 40 IHAB O=C(CSc1nnc(NC2CCCCC2)s1)NC(=O)c1ccc(OC(F)F)cc1 2660279 XTWONVOZIIYKHB-UHFFFAOYSA-N 442.513 3.933 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1CC(C)C 3290439 NQMSPFLXTYDXHT-UHFFFAOYSA-N 439.537 3.960 0 40 IHAB C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NCc1ccc(Cl)cc1Cl)C2=O 3404469 ISZLALJRMDNLJN-FKIZINRSSA-N 426.344 3.746 0 40 IHAB O=C1CCCN1C(=O)CSc1nnc(-c2cccnc2)n1-c1cccc(C(F)(F)F)c1 3518080 HFKITTTYPXMVNY-UHFFFAOYSA-N 447.442 3.589 0 40 IHAB CC1=C(C(N)=O)[C@H](c2ccc(Cl)cc2)N2NC(SCc3ccccc3F)=NC2=N1 4574808 HUHBLMGZKJHORG-KRWDZBQOSA-N 429.908 3.759 0 40 IHAB O=C(COc1ccc(Cl)cc1)N1CCN(C2CCN(Cc3ccccc3)CC2)CC1 4745933 YXAKPGBPMDVLEF-UHFFFAOYSA-N 427.976 3.528 0 40 IHAB Cc1cccc2cc([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CCC(C)CC3)c(=O)[nH]c12 6443797 OJKYXKGTUJJZKH-QHCPKHFHSA-N 446.530 3.832 0 40 IHAB CCN(CC)C(=O)c1cccc(NC(=O)CN(Cc2cccs2)C[C@H]2CCCO2)c1 7806631 CMHHAYHAHAWWQZ-HXUWFJFHSA-N 429.586 3.850 0 40 IHAB COc1ccccc1/C=[N+]1\NC(=O)[C@@H](NC(=O)c2cccc(C)c2)[C@H]1c1ccc(Cl)cc1 8396299 MYVQODHDBOYLTR-LMOLPZMTSA-O 448.930 3.673 0 40 IHAB O=C1N(c2ccc(Br)cc2)[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1 8441041 GGYOGWRQNSLJHA-HZPDHXFCSA-N 441.734 3.715 0 40 IHAB COc1ccc(C(=O)Oc2ccc([C@H]3NC(=O)c4c(sc5c4CCN(C)C5)N3)cc2)cc1 8771729 HZXSBYXYXOBLLH-NRFANRHFSA-N 449.532 3.818 0 40 IHAB COc1ccc(CNS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)c(F)c2)cc1 8810802 HJHPLXYSXIXCGM-UHFFFAOYSA-N 432.448 3.704 0 40 IHAB COc1ccc2c(c1OC)C(=O)N1[C@@H]2SC(C)(C)[C@H]1C(=O)N[C@H](C)c1ccccc1 8952640 XIGLTUDNIPUDGN-NHLCRCCNSA-N 426.538 3.930 0 40 IHAB biogenic O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1nn(-c2ccccc2)ccc1=O 9130442 XELOETZTNXFDEQ-UHFFFAOYSA-N 439.497 3.768 0 40 IHAB CCOc1ccc([C@H]2Nn3c(CC)nnc3S[C@@H]2C(=O)Nc2ccccc2OC)cc1 9197826 SVAGAMPOVJOGDS-UXHICEINSA-N 439.541 3.646 0 40 IHAB Cn1c(CNC(=O)c2ccccc2SCC(=O)NCc2ccco2)nc2ccccc21 9202149 LBSBTEURMRSBQC-UHFFFAOYSA-N 434.521 3.505 0 40 IHAB O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)N(Cc1ccco1)CC(F)(F)F 9222613 FBZZDYBJYQHRMW-UHFFFAOYSA-N 441.387 3.742 0 40 IHAB Cn1c(SCC(=O)Nc2ccc(N3CCOCC3)cc2)nnc1-c1cc2ccccc2o1 9265027 DUQFBPWNCPNEHI-UHFFFAOYSA-N 449.536 3.796 0 40 IHAB CC(C)[C@@H](NC(=O)c1cccs1)C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 9415129 MVKBMTSJJSDPIQ-GOSISDBHSA-N 444.582 3.588 0 40 IHAB O=C(NCCc1csc2nc(-c3ccc(F)cc3)nn12)C(=O)Nc1ccc(Cl)cc1 9568994 SDQPTASILBWBKP-UHFFFAOYSA-N 443.891 3.548 0 40 IHAB C[C@@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)c2ccc(N3CCCC3=O)cc2)C1=O 9578723 LJJVATLVHMSJKQ-SANMLTNESA-N 441.487 3.617 0 40 IHAB COc1ccc(-n2c(SCC(=O)NCCc3ccccc3)nnc2-c2ccncc2)cc1 9925293 NKRZIXNSVRAZDL-UHFFFAOYSA-N 445.548 3.789 0 40 IHAB O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N1CCN(c2ccc(F)cc2)CC1 9953444 AFYQWWROQDORLD-UHFFFAOYSA-N 448.523 3.613 0 40 IHAB CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@H]3c3ccccc3)CC2)cc1 9956833 PFKLGEWIERUPQW-HSZRJFAPSA-N 440.565 3.654 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2c2ccc(OC)cc2OC)cc1 11549044 ZLLJJERRLJGSPN-NRFANRHFSA-N 446.569 3.712 0 40 IHAB O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(Cl)c(N2C(=O)CCS2(=O)=O)c1 11859372 UBRMUKZLATUXGT-UHFFFAOYSA-N 447.944 3.649 0 40 IHAB CC(C)c1cc(C(=O)N[C@@H]2CC(C)(C)Cc3nc(N4C[C@H](C)O[C@H](C)C4)ncc32)no1 12240969 SJHRWJPRWGFDNT-RVKKMQEKSA-N 427.549 3.645 0 40 IHAB Cc1ccc2nc(NC(=O)CSC3=NS(=O)(=O)c4cc(F)ccc4N3)sc2c1 12361081 SNTRSENKQYLVKF-UHFFFAOYSA-N 436.515 3.586 0 40 IHAB COc1ccc(-c2csc(NC(=O)c3ccc(C)c(NS(C)(=O)=O)c3)n2)c(OC)c1 12521363 VMWREMJAQGSYEL-UHFFFAOYSA-N 447.538 3.760 0 40 IHAB CN(C)S(=O)(=O)c1ccc(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)cc1 12625264 JTTPCQNZHJLYGH-UHFFFAOYSA-N 428.485 3.798 0 40 IHAB COc1ccc([C@H]2CCCN2CC(=O)N2CCN([C@@H](C)c3ccccc3)CC2)c(OC)c1 12796486 AYGFGNSZNSXOQQ-GBXCKJPGSA-N 437.584 3.746 0 40 IHAB COc1cc(OC)cc(C(=O)N[C@H](C(=O)Nc2nc3c(s2)CCCCC3)C(C)C)c1 12828348 QMDLEXLAURFJQG-IBGZPJMESA-N 431.558 3.822 0 40 IHAB CN(CC(=O)Nc1cccc(F)c1)C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 12934959 KAZRAWTYXQQWGQ-UHFFFAOYSA-N 438.425 3.553 0 40 IHAB CCCCn1nc(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc2c1=O 13041432 WTEQSZZJEWLALT-UHFFFAOYSA-N 438.959 3.808 0 40 IHAB COc1cccc(-c2noc(CN3C(=O)N[C@](C)(c4ccc5ccccc5c4)C3=O)n2)c1 13164108 WSGRDOYJHRRFIX-XMMPIXPASA-N 428.448 3.866 0 40 IHAB Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCN(C(=O)Cc3nc(C)cs3)CC2)cc1 13164675 SWHMQOQKXFOWED-DEOSSOPVSA-N 448.592 3.827 0 40 IHAB CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccoc3C)n2C[C@H]2CCCO2)cc1 13512204 QUSLOWGGQRACGZ-GOSISDBHSA-N 440.525 3.959 0 40 IHAB COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(c3ccc4c(c3)OCO4)[C@H]21 13987060 PMKUYFTYECSMCA-QFIPXVFZSA-N 430.416 3.752 0 40 IHAB COC(=O)c1ccc([C@@H]2CC(=O)Nc3c2cnn3-c2ccc(Br)cc2)cc1 14000907 FAGKTHIYBQYPLC-INIZCTEOSA-N 426.270 3.896 0 40 IHAB O=C(Nc1cc(Cl)ccc1Cl)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 14427192 ZJDMDGDTCDBGHN-UHFFFAOYSA-N 449.743 3.920 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)Nc2cc(C)ccc2OC)cc1 15391093 HBMXJLHZROAAGW-QGZVFWFLSA-N 432.542 3.584 0 40 IHAB COc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1S(=O)(=O)N(C)C 15653825 JPOJHAMALRSVOP-UHFFFAOYSA-N 436.839 3.870 0 40 IHAB COc1ccc(OCC(=O)Nc2ccc(OCc3cc(=O)n4cccc(C)c4n3)cc2)cc1 15865423 CGQWIUFVHAJHHP-UHFFFAOYSA-N 445.475 3.608 0 40 IHAB CCOc1ccc(NC(=O)C(=O)NCCc2sc(-c3ccc(F)cc3)nc2C)cc1 17307806 RCMCZZFQZLPEOO-UHFFFAOYSA-N 427.501 3.954 0 40 IHAB C[C@H](NC(=O)COc1ccc(I)cc1)c1ccc(-n2ccnc2)cc1 18047769 JLTNLSLAHVFZCL-AWEZNQCLSA-N 447.276 3.733 0 40 IHAB CC(C)C(=O)N1CCC(c2nc(O)cc([C@H]3CCCN(C(=O)C[C@H]4C=CCC4)C3)n2)CC1 19085295 BQASSZZHMSHYAG-ICSRJNTNSA-N 440.588 3.607 0 40 IHAB CC(C)C(=O)N1CCCc2cc([C@@H](O)CN3CCN(c4ccc(F)cc4)CC3)ccc21 19085739 WLBFYCOZGIBFSM-DEOSSOPVSA-N 425.548 3.617 0 40 IHAB CN(C(=O)c1c[nH]nc1C1CCN(C(=O)COc2ccccc2F)CC1)c1ccccc1 19586764 URDBMQSLCQMIBM-UHFFFAOYSA-N 436.487 3.610 0 40 IHAB COc1cccc(CNC(=O)c2cnc([C@H]3CCN(C(=O)CC4CCCC4)C3)nc2C)c1 19758253 LAONRTOZUIVMHH-FQEVSTJZSA-N 436.556 3.620 0 40 IHAB Cc1nc([C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)ncc1C(=O)NCc1ccccc1 19764062 HWTYEBCXZKCKTE-NRFANRHFSA-N 446.526 3.803 0 40 IHAB CCOC(=O)[C@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@@H]1c1ccccn1 19820390 DSMDTJHNZVTDDV-FGZHOGPDSA-N 426.476 3.747 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C)cc1 20006888 HKBPAXZKOVROLK-NRFANRHFSA-N 438.549 3.840 0 40 IHAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1C 20015193 KFZVKPDGKBAGCU-UHFFFAOYSA-N 448.438 3.811 0 40 IHAB O=C(C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1)N1CCCc2ccccc21 20110902 PKIXOSXHCBGCKU-UHFFFAOYSA-N 432.973 3.861 0 40 IHAB O=C(NC(=S)Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1ccc2c(c1)OCO2 20152492 PRDXJJQSRLHNDP-UHFFFAOYSA-N 430.869 3.948 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)c(Cl)c1 20454157 PVLOYCQDAQKJAX-UHFFFAOYSA-N 438.933 3.538 0 40 IHAB Cc1cc(C(=O)N(CCC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)sc1C 24007087 WYPDJUSYLLVPRL-UHFFFAOYSA-N 440.569 3.538 0 40 IHAB COc1ccc(-n2ccnc2SCC(=O)Nc2cc3c(cc2C(C)=O)OCO3)cc1 24266928 JZGPLPGLWYNUCF-UHFFFAOYSA-N 425.466 3.543 0 40 IHAB CCNC(=O)COc1ccc(NC(=O)c2cccnc2SCc2c(C)noc2C)cc1 25653336 UUJYFTUHCNTKRV-UHFFFAOYSA-N 440.525 3.746 0 40 IHAB O=C([C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1)N1CCCCCC1 26109415 IRBSAUCKPOECFR-HNNXBMFYSA-N 433.401 3.938 0 40 IHAB CN(C)S(=O)(=O)c1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c(Cl)c1 28207953 HEDNRSUZDXARMI-UHFFFAOYSA-N 437.732 3.915 0 40 IHAB CCOc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)cc1 30815517 UMHGHKKTYHOSSG-FUHWJXTLSA-N 436.599 3.733 0 40 IHAB COc1ccc(OC)c(N2C[C@@H](C(=O)O[C@H](C)C(=O)c3ccc(Cl)cc3)CC2=O)c1 31065996 HTFGDQIUKIXUTM-HIFRSBDPSA-N 431.872 3.525 0 40 IHAB O=C(O)C[C@@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 32098857 RPXXCGBSEMSKNB-HXUWFJFHSA-N 428.485 3.853 0 40 IHAB COc1cccc(C(=O)NC(=S)Nc2cc(NC(=O)c3ccco3)ccc2OC)c1 32126886 PXXCNSNCJDLCLR-UHFFFAOYSA-N 425.466 3.676 0 40 IHAB O=C(CSc1nnc2ccc(C(=O)Nc3cccc(F)c3)cn12)Nc1ccccc1F 33284371 LGVGAVVFBPHAQD-UHFFFAOYSA-N 439.447 3.991 0 40 IHAB Cc1n[nH]c(C)c1NC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1 33470419 NETVONSEJHSABI-UHFFFAOYSA-N 448.508 3.734 0 40 IHAB CO[C@@H]1CCC[C@@H](C(=O)N2CCC[C@H](c3nc4sc5c(c4c(=O)[nH]3)CCCC5)C2)C1 36714051 TUONCFBTWJOUTN-OWCLPIDISA-N 429.586 3.775 0 40 IHAB O=C(N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)c1cc(=O)c2ccccc2o1 40107819 FLJVMOZLQOASQK-QGZVFWFLSA-N 444.409 3.905 0 40 IHAB COc1ccc(Cl)cc1NC(=O)NCC1CCN(C(=O)COc2ccccc2)CC1 43981846 WSONNOBUSFNUPJ-UHFFFAOYSA-N 431.920 3.788 0 40 IHAB Cc1ccc([C@@H](C)NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)cc1 44933572 YCFBEXYENZOIHE-IERDGZPVSA-N 430.570 3.697 0 40 IHAB CCOc1ccccc1C(=O)NC1CCN(C(=O)c2c[nH]nc2-c2ccc(F)cc2)CC1 49406880 JUSVOTKHCAUJHG-UHFFFAOYSA-N 436.487 3.649 0 40 IHAB C[C@@H](NCC(=O)N(CC(=O)Nc1ccccc1)Cc1ccco1)c1ccc(F)c(F)c1 49600793 RVHOKBYQFSRMRV-MRXNPFEDSA-N 427.451 3.876 0 40 IHAB COc1ccc(-c2cc(C(=O)N3CCN(c4ccccc4Cl)CC3)n[nH]2)c(OC)c1 57477167 YVXZGPUKHZONCF-UHFFFAOYSA-N 426.904 3.710 0 40 IHAB Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)N3CCCc4ccccc43)c2=O)cc1C 57490981 XYTUALOPWLBUET-UHFFFAOYSA-N 445.544 3.810 0 40 IHAB CC[C@H]1CCCCN1C(=O)Cn1c(=O)n(-c2cc(C)ccc2C)c(=O)c2sccc21 57492530 MDVQYRQFGTWGMO-KRWDZBQOSA-N 425.554 3.622 0 40 IHAB Cc1c(C)c(C)c(S(=O)(=O)N2CCN([C@@H](C)c3nc(C4CC4)no3)CC2)c(C)c1C 59374065 UHTYMAJLPDQGSX-SFHVURJKSA-N 432.590 3.557 0 40 IHAB COc1ccc(NC(=O)Cn2ccc3ccn(Cc4cccc(C)c4)c3c2=O)cc1OC 62007343 HIANBTCZNBCKHB-UHFFFAOYSA-N 431.492 3.816 0 40 IHAB Cc1ccc(C)c([C@H]2NC(=O)N(CC(=O)Nc3c(C)cccc3Cl)C3=C2C(=O)OC3)c1 67288886 LIOREHPBBTVRDP-OAQYLSRUSA-N 439.899 3.781 0 40 IHAB CCOc1cc(Br)c(CC(=O)N[C@@H](C)C(C)(C)CN(C)C)cc1OCC 72311469 MCUGRCPMUBIGML-AWEZNQCLSA-N 429.399 3.882 0 40 IHAB Cc1nc(=O)c2cc(Cl)ccc2n1C1=CCN(C(=O)c2cc(C(C)(C)C)nn2C)CC1 72348292 XFGQAIWDLIXFDR-UHFFFAOYSA-N 439.947 3.776 0 40 IHAB COc1ccccc1OCCc1cc([C@@H]2CCN(C(=O)c3cn4ccc(C)cc4n3)C2)n[nH]1 72371680 PJCFAQHYQYMIFI-GOSISDBHSA-N 445.523 3.626 0 40 IHAB CCCOc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1OCCC 72414197 GERYSHHGJXWUET-UHFFFAOYSA-N 432.586 3.771 0 40 IHAB O=C(NC1(c2nc(C3CC3)no2)CCCCC1)[C@@H]1CC(=O)N(Cc2ccc(Cl)cc2)C1 77197389 ZYKYRVCAWCMPDM-QGZVFWFLSA-N 442.947 3.925 0 40 IHAB CC(C)C[C@H](C(=O)N[C@@H](C)Cc1nc2ccccc2s1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 78714515 BQNWWMSIFUQHFF-IMBTUZDBSA-N 439.581 3.709 0 40 IHAB O=C([C@H]1CCS(=O)(=O)C1)N(Cc1ccc(Br)cc1)c1ccc(F)cc1F 89787578 SAPCPGVOUUOALM-ZDUSSCGKSA-N 444.297 3.695 0 40 IHAB COc1ccc(CCNC(=O)CSCC(=O)N2C[C@H](c3ccc(F)cc3)C[C@@H]2C)cc1 89920280 PNLVMZQNBSNBDQ-FXAWDEMLSA-N 444.572 3.631 0 40 IHAB CC[C@@H](NC(=O)CCc1c(C)nc(SC)nc1C)[C@@H](c1ccc(C)cc1)n1cncn1 89941927 XCXLOXGFNSGXGW-IFMALSPDSA-N 438.601 3.832 0 40 IHAB COc1c(Br)cc(Br)cc1CN1CCC[C@H](CNC(C)=O)C1 95430361 BICBUQMNVQECSQ-GFCCVEGCSA-N 434.172 3.568 0 40 IHAB COC(=O)C[C@H](c1c(O)n[nH]c1Cc1ccc(OC)cc1)c1coc2ccccc2c1=O 96114580 SXBHXLPRQRUBFH-KRWDZBQOSA-N 434.448 3.516 0 40 IHAB biogenic COc1cccc2cc(C(=O)N3CCC[C@H](c4nnc(-c5ccsc5)o4)C3)c(=O)oc12 96119084 OWZWVWSRAVVNAR-AWEZNQCLSA-N 437.477 3.933 0 40 IHAB COc1ccc2c(C)c(CCC(=O)NC[C@H]3CCCN4CCCC[C@H]34)c(=O)oc2c1C 96343539 BNENPFSHOGSPLL-WIYYLYMNSA-N 426.557 3.732 0 40 IHAB COc1cccc(C(=O)N(CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)c2ccccc2C)c1 100394862 YHRFHSKJRRFPRY-FWDUKEBRSA-N 442.515 3.661 0 40 IHAB COc1ccccc1N1CCN(C(=O)[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)CC1 101481009 NBWZDHAQUVLXRT-KDURUIRLSA-N 431.577 3.675 0 40 IHAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)COC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)C1 101881769 FSDOCPQWGDEXKE-LHSJRXKWSA-N 441.355 3.694 0 40 IHAB aggregator O=c1c2ccccc2ncn1C[C@H]1CC[C@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 102674292 UHYPVKIPAUTKAJ-BGYRXZFFSA-N 448.542 3.691 0 40 IHAB O=S(=O)(N[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1)c1cc(Cl)ccc1Cl 206791659 YMXGWFFTRPFAIZ-GFCCVEGCSA-N 440.274 3.964 0 40 IHAB CC[C@H](C(=O)NCCCc1cccc(OC)c1)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220576071 YUHLHLOOKKOAFW-JOCHJYFZSA-N 432.586 3.606 0 40 IHAB CC[C@H](C(=O)n1cc(C(=O)OC)c2ccccc21)N(c1ccc(C)cc1)S(C)(=O)=O 222612772 HHKJBMCNTMPEAT-LJQANCHMSA-N 428.510 3.621 0 40 IHAB CCOc1ccc(N([C@@H](C)C(=O)NCc2cc(CC)ccc2CC)S(C)(=O)=O)cc1 222659390 BEUSGTQXFLRVLE-KRWDZBQOSA-N 432.586 3.681 0 40 IHAB O=C(NCCO)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 223208953 DOCGBYXSRQILEN-RUZDIDTESA-N 448.538 3.507 0 40 IHAB CC[C@@H](C(=O)NCCOc1cc(C)ccc1C)N(c1cccc(Cl)c1)S(C)(=O)=O 224018062 KJLRNMCUPAOSDE-IBGZPJMESA-N 438.977 3.697 0 40 IHAB COc1ccccc1OCCCNC(=O)[C@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2N1 257211686 BZYGWHMVYBXXEH-TZHNIEJDSA-N 449.551 3.568 0 40 IHAB COc1cc(C(=O)N2CCC[C@@](C)(c3cc(N)nc(C)n3)C2)ccc1OCc1ccccn1 257215614 CQWSRTBIZBHFKA-RUZDIDTESA-N 447.539 3.544 0 40 IHAB CN(C)c1cc([C@@H]2CCCN(C(=O)c3ccc(Cl)c(N4CCOCC4)c3)C2)ccn1 257252052 JTJFOKSNUUPPGS-LJQANCHMSA-N 428.964 3.657 0 40 IHAB COCCc1ncc(CN2CCO[C@@H](c3cc(Cc4ccc(C)cc4)cc(C)n3)C2)cn1 257261961 LJLUIOBUQYJTIQ-RUZDIDTESA-N 432.568 3.842 0 40 IHAB Cc1ccc2c(c1)OC(C)(C)[C@H]1CC3(CO[C@H]21)CN(CC(=O)Nc1ccnn1C(C)C)C3 257263734 LRESQGIURPWBPC-WMZHIEFXSA-N 438.572 3.962 0 40 IHAB C[C@]12CCN(C(=O)Cc3cccnc3)[C@H]1CCC(=O)N2Cc1ccc(C(F)(F)F)cc1 257276796 NVDBIPGIECDLTJ-UGKGYDQZSA-N 431.458 3.825 0 40 IHAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccccc2)C1 408701230 UQYLSMBCGLOVMJ-HXUWFJFHSA-N 430.570 3.536 0 40 IHAB O=C1CCN[C@H](c2cc(Br)c(OCc3ccccc3)c(Br)c2)N1 408737059 LLGMRQXCEHKUGU-KRWDZBQOSA-N 440.135 3.899 0 40 IHAB CCc1ccc(N(CC(=O)Nc2ccc(Br)c(C)c2)S(C)(=O)=O)cc1 409024603 GCQHJSGSEUVSCJ-UHFFFAOYSA-N 425.348 3.725 0 40 IHAB CC[C@@H](C)Oc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1OC 409217204 TUWDHZLGODXNAZ-XWAFYUISSA-N 441.459 3.543 0 40 IHAB CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(Br)cc1OC 409237758 LMYQXSQYCXFLSP-CXUHLZMHSA-N 431.286 3.949 0 40 IHAB Cc1cc2c(cc1NC(=O)c1ccccc1C(=O)c1ccccc1)N(C)S(=O)(=O)N2C 575613578 UCVQHTLUSSCVMR-UHFFFAOYSA-N 435.505 3.609 0 40 IHAB Cc1cnc(NC(=O)CN2CCC[C@@H]2c2csc(NC(=O)c3ccccc3)n2)s1 585268798 SWMPJERVYXYSDA-MRXNPFEDSA-N 427.555 3.936 0 40 IHAB COCc1nn2c(c1-c1ccc(Cl)cc1)NN=C(S(C)(=O)=O)[C@H]2c1ccccc1 618256317 HROHFDGQUFSVKW-GOSISDBHSA-N 430.917 3.723 0 40 IHAB CC(=O)N1CCCCCCCN(C(C)C)Cc2cc(C(=O)N3CCCN(C)CC3)ccc21 643575140 GYXGIPSXPUVJKH-UHFFFAOYSA-N 442.648 3.992 0 40 IHAB O=C(OCc1ccccc1)N1c2nonc2N(C(=O)OCc2ccccc2)c2nonc21 845970 HVGBELSDJMBQJN-UHFFFAOYSA-N 434.368 3.716 0 40 IHAB CC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1C 2095236 CSOYJGOZFRGVTF-IBGZPJMESA-N 443.521 3.689 0 40 IHAB biogenic COCCNC(=O)CSc1nnc(-c2ccc(OC)cc2)n1-c1ccccc1C(C)C 3484164 MRVAWULHFDQGHG-UHFFFAOYSA-N 440.569 3.921 0 40 IHAB CCc1nnc2sc(-c3ccc(C)c(NC(=S)NC(=O)c4cccc(F)c4)c3)nn12 4125383 BWOUYBXFILHXOY-UHFFFAOYSA-N 440.529 3.990 0 40 IHAB CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=O)N2Cc2cccnc2)cc1 6089896 HDSOWGRDDCTPMO-QFIPXVFZSA-N 444.491 3.847 0 40 IHAB Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)Nc1ccc(Cl)cc1 6577285 ADBYCUNAKCKWMP-UHFFFAOYSA-N 445.957 3.624 0 40 IHAB aggregator Cc1nc2cc(C(=O)OCC(=O)NC(=O)NCc3ccccc3)ccc2n1-c1ccccc1 8826022 ZSFSIZULZZUHBG-UHFFFAOYSA-N 442.475 3.517 0 40 IHAB O=C(c1ccccc1Oc1ccccc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 8882751 FBRONKRUOVPVOZ-UHFFFAOYSA-N 436.533 3.767 0 40 IHAB Cc1cc(C)cc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(Cc3ccccc3C)c(=O)n2C)c1 9014816 CGFWNQOHBQQIOU-SFHVURJKSA-N 443.551 3.658 0 40 IHAB O=C(NCCc1ccccc1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 9094842 JGMJJALCUBVCJB-JOCHJYFZSA-N 442.968 3.589 0 40 IHAB CCCOc1ccccc1NC(=O)[C@H]1CC(=O)n2c(nnc2-c2ccc(OC)cc2)S1 9119662 NMODKKKXKDUSKH-GOSISDBHSA-N 438.509 3.886 0 40 IHAB Cc1nn(-c2ccc(C(=O)OCc3cccc(S(=O)(=O)N(C)C)c3)cc2)c(C)c1Cl 9248796 CMHTUFDTEHVRNA-UHFFFAOYSA-N 447.944 3.750 0 40 IHAB Cc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1NC(=O)N[C@@H](Cc1ccccc1)C(=O)O 9451187 VIGFKPHMXYIHHT-NRFANRHFSA-N 442.475 3.716 0 40 IHAB O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1)c1ccc2c(c1)OCO2 9535033 ZPXLNAQOOYEASH-QGZVFWFLSA-N 441.484 3.967 0 40 IHAB Cc1cc(C)cc(NC(=O)C(=O)NCCc2csc3nc(-c4cccc(C)c4)nn23)c1 9569079 DIZKMNGDFPGIPI-UHFFFAOYSA-N 433.537 3.680 0 40 IHAB CCC(=O)c1ccc(OCC(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)cc1 9587209 FZSXWTSAVRTOIM-UHFFFAOYSA-N 447.329 3.826 0 40 IHAB Cc1cccc(C)c1NC(=O)COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O 9632431 IARHHAQWGNJBQM-UHFFFAOYSA-N 442.471 3.895 0 40 IHAB CCOC(=O)Cn1/c(=N/C(=O)c2ccccc2Br)sc2cccc(F)c21 9809718 SFDHBGZNIXPJKT-UZYVYHOESA-N 437.290 3.909 0 40 IHAB CC(=O)c1ccc(-c2ccc(C(=O)OCC(=O)Nc3nnc(-c4ccccc4)o3)o2)cc1 9959313 JWWXGBOYDDXMBK-UHFFFAOYSA-N 431.404 3.995 0 40 IHAB CCOC(=O)c1cccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c1 10441147 MKNFIDCLHCCYOU-UHFFFAOYSA-N 438.505 3.941 0 40 IHAB COCCCNC(=O)c1ccccc1NC(=O)COc1ccc(Br)c(C)c1 10472567 NODNMQNPGGJXCB-UHFFFAOYSA-N 435.318 3.541 0 40 IHAB COc1ccc(OC)c(NC(=O)CCCSc2ccc(NC(=O)c3ccco3)nn2)c1 11794307 NMJLXECYVKXMKY-UHFFFAOYSA-N 442.497 3.850 0 40 IHAB Cc1ccc(Cl)cc1NC(=O)Cn1c(C)cc(C)c(S(=O)(=O)c2ccccc2)c1=O 12415846 FOUAICGISTZBFF-UHFFFAOYSA-N 444.940 3.898 0 40 IHAB COC(=O)C1=C(C)N(c2ccc(C)c(F)c2)C(=S)N[C@@H]1c1ccc(C(=O)OC)cc1 12515161 WDYTWUDOKQPLDJ-LJQANCHMSA-N 428.485 3.804 0 40 IHAB COc1cc(OC)cc([C@@H](NC(=O)c2ccc(Br)cc2F)c2nccn2C)c1 12627558 FOMYNWIDEMAVLS-GOSISDBHSA-N 448.292 3.858 0 40 IHAB Cc1cc(C2=NN=C(NCCCN3CCOCC3)SC2)c(C)n1[C@@H](C)c1ccccc1 12745947 FTWKEQMHWWMHRG-IBGZPJMESA-N 439.629 3.833 0 40 IHAB O=C(C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)N1CCC[C@@H]2CCCC[C@@H]21 12900527 CLPRRILOWUFJJW-HOCLYGCPSA-N 436.482 3.541 0 40 IHAB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1 12924683 XZTMXXLVGOULPY-MRXNPFEDSA-N 426.460 3.926 0 40 IHAB Cc1cccc(C)c1N(C(=O)[C@H]1CSC(=O)C1)[C@@H](C(=O)NC(C)(C)C)c1ccccn1 13086289 GPGRSOPVSJIYNL-DYESRHJHSA-N 439.581 3.967 0 40 IHAB CCOC(=O)c1sc(NC(=O)[C@H](CC)Sc2ncc(-c3ccccc3)nn2)nc1C 13494697 RBTHJVCJFAKFRB-HNNXBMFYSA-N 443.554 3.990 0 40 IHAB COc1ccccc1NS(=O)(=O)c1cc(C(=O)NOCc2ccccc2)ccc1C 15026279 IZLUMBPWXGKEIN-UHFFFAOYSA-N 426.494 3.666 0 40 IHAB Cc1ccccc1N1C(=S)N(c2cccc(Br)c2)[C@@H]2CS(=O)(=O)C[C@H]21 16740624 YFFLHTQEMBOLBK-IAGOWNOFSA-N 437.384 3.535 0 40 IHAB Cc1ccc2c(C)c(CCC(=O)O[C@H](C)C(=O)N3CCc4ccccc4C3)c(=O)oc2c1 17263799 LREPSIHOZGXEKS-GOSISDBHSA-N 433.504 3.859 0 40 IHAB COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)c(OC)c1 18151772 MURCILWVRZTRIQ-ZLNRFVROSA-N 448.450 3.894 0 40 IHAB C[C@H](NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1ccc2c(c1)CCCC2 18212579 CPTKVCJKTBVFBW-INIZCTEOSA-N 432.611 3.905 0 40 IHAB Cc1cnc(C(=O)N2CCc3nc(-c4cccnc4)nc(Nc4ccc(F)cc4)c3C2)cn1 19238929 NLIZRTAMQJSXOE-UHFFFAOYSA-N 441.470 3.718 0 40 IHAB COc1cc2c(cc1OC)CN(C(=O)COC(=O)/C=C/c1c(F)cccc1Cl)CC2 19353766 UKFWMRFFDXOVEC-VOTSOKGWSA-N 433.863 3.638 0 40 IHAB COc1cccc(CC(=O)N[C@@H](c2cc(O)n3nc(-c4cccnc4)cc3n2)C(C)C)c1 19445497 KAYBZVZFRYODIO-XMMPIXPASA-N 431.496 3.562 0 40 IHAB CC1CCN(CC(=O)N2CC[C@@H](c3cc4nc(C(C)C)cc(C(F)(F)F)n4n3)C2)CC1 19496856 ULRNNDPBHBSIAY-MRXNPFEDSA-N 437.510 3.919 0 40 IHAB CCCN1CCN(C(=O)c2cncn2CC)C[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O 19502821 FBWAUQIKBGPQEA-QHCPKHFHSA-N 445.567 3.518 0 40 IHAB COc1ccc(-c2ccc(C[C@@]3(C(N)=O)CCCN(C(=O)c4ccccn4)C3)cc2)cc1 19558255 OJJSDDMXNCKSHJ-SANMLTNESA-N 429.520 3.708 0 40 IHAB CC(=O)N1CCC[C@]1(Cc1cc(-c2ccccc2)no1)C(=O)NCCc1ccc(F)cc1 19696594 XFMWSYXUVGYNGJ-VWLOTQADSA-N 435.499 3.763 0 40 IHAB Cc1oc2c(C)c3oc(=O)c(CCC(=O)NCCCN4CCOCC4)c(C)c3cc2c1C 20611933 BBUOOQKYPVSOBN-UHFFFAOYSA-N 440.540 3.544 0 40 IHAB biogenic Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)O[C@@H](C)C(=O)NC(C)(C)C)c1 21601546 VWZFSGKUOOZRRX-INIZCTEOSA-N 432.542 3.564 0 40 IHAB Cc1nc2ccccc2n1CCNC(=O)[C@H]1CCCC[C@H]1C(=O)N1CCc2ccccc21 24381920 PSZDCCGALVHZOE-LEWJYISDSA-N 430.552 3.857 0 40 IHAB O=C(Nc1nnc(-c2ccco2)s1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 24927998 MOOFGDOTYWOUAI-SNVBAGLBSA-N 433.287 3.552 0 40 IHAB CCNS(=O)(=O)c1ccc(C)c(C(=O)N[C@@H](c2ccccc2)c2ccc3nc[nH]c3c2)c1 25036889 OVUBRSQLPSWVLX-QHCPKHFHSA-N 448.548 3.689 0 40 IHAB CCN1CCc2nc(NC(=O)c3cnn(-c4ccc(C(F)(F)F)cn4)c3C)sc2C1 30604930 VANSTKULKYKQJC-UHFFFAOYSA-N 436.463 3.681 0 40 IHAB CN1CCc2nc(NC(=O)c3nn(-c4ccc(F)cc4)c4c3CCCCC4)sc2C1 30870004 DZSDZPGGUOJWBO-UHFFFAOYSA-N 425.533 3.977 0 40 IHAB Cc1ccc(NC(=O)[C@H](C)Sc2nc3cc(Cl)ccc3c(=O)n2C[C@@H](C)O)cc1 32672254 DOWHNIQZXMNCJQ-KGLIPLIRSA-N 431.945 3.858 0 40 IHAB COc1ccc(-c2nc(Cn3nnc(C(=O)Nc4cc(C)cc(C)c4)c3N)c(C)o2)cc1 33291829 TUWQXXWEHHRYGG-UHFFFAOYSA-N 432.484 3.750 0 40 IHAB CC(C)CCNC(=O)COc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1Cl 33454430 CPYXDYZYQXXVKE-MRXNPFEDSA-N 438.977 3.921 0 40 IHAB O=C(CSc1nc2ccccc2o1)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1 33530661 VTFGIOABZNTPQW-UHFFFAOYSA-N 443.506 3.630 0 40 IHAB CCC(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2ccc(C)cc2C)nc1O 35378034 RVJTYEWZAPDBGH-UHFFFAOYSA-N 437.525 3.940 0 40 IHAB COc1ccccc1C1(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)CCOCC1 38680285 PHAUYHIECZHNMY-HXUWFJFHSA-N 436.552 3.530 0 40 IHAB Cc1cc(C(=O)N(C)Cc2c(C)nn(Cc3ccccc3Cl)c2C)ccc1-n1cnnn1 40079593 LPABDQCXPFSRLE-UHFFFAOYSA-N 449.946 3.758 0 40 IHAB CCN(CC)c1nc2sc(C(=O)Nc3ccccc3C(=O)NCCOC)cc2s1 40155161 LHHPAEPRACXOEY-UHFFFAOYSA-N 432.571 3.833 0 40 IHAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 44948834 YHFJRJQJILVFSX-FQEVSTJZSA-N 446.569 3.974 0 40 IHAB COC(=O)[C@H](CNC(=O)c1sc(Cc2ccccc2)nc1C)Cc1ccc(F)cc1 58203113 WWQKXCCLDGWDIH-SFHVURJKSA-N 426.513 3.943 0 40 IHAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 71844357 UHYJRFLURFRWGM-XZOQPEGZSA-N 442.581 3.506 0 40 IHAB Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(N(C)C(=O)[C@H](C)n3nc(C)cc3C)c(F)c2)n1 72300839 JQRYQZDEEMTBRP-ROUUACIJSA-N 440.523 3.876 0 40 IHAB CC(=O)Nc1ccc(OCC(=O)N2CCC(c3nc(C)c(C(C)=O)s3)CC2)cc1C 72340181 ZAIYZJNBDMCDOR-UHFFFAOYSA-N 429.542 3.706 0 40 IHAB COc1cccc(NC2=NC(=O)S/C2=C\c2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)c1 72401505 PGPRIQRGRSAQGR-PACYTGELSA-N 446.554 3.586 0 40 IHAB CC(C)S(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@@H]2c2nc3ccccc3n2C)c1 78805984 YRMNNDPZXCGEEG-HXUWFJFHSA-N 429.517 3.872 0 40 IHAB CCc1c(C)nc2n(c1=O)C[C@H](C(=O)Nc1cccc(-c3csc(C)n3)c1)CS2 90609867 IKYPTIQESKVHME-HNNXBMFYSA-N 426.567 3.907 0 40 IHAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Br)cc1)N1CCCN1[C@H]2c1ccc(Cl)cc1 100090990 ZTLSBLCLYFIIBS-BZSNNMDCSA-N 446.732 3.638 0 40 IHAB COCCCn1c(SCc2cccc(OC)c2)nc2cc(OC)c(OC)cc2c1=N 100330706 XASIJNMICADCGC-UHFFFAOYSA-N 429.542 3.870 0 40 IHAB CC(C)c1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(C(C)C)cc4)C(=O)[C@@H]32)cc1 101168504 ARILGLQBIPYFNO-FCHUYYIVSA-N 433.512 3.865 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](C)c3cc(C)ccc3C)C2)cc1 113945251 YVLSMUQXMMDFPV-MOPGFXCFSA-N 430.570 3.590 0 40 IHAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OC 216478209 OFSTYOLGRSIMKV-HXUWFJFHSA-N 446.569 3.893 0 40 IHAB CCOc1ccc(NC(=O)[C@H](C)N(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 220190783 RDIVAHWBODFAFQ-ZDUSSCGKSA-N 430.448 3.897 0 40 IHAB C[C@@H](C(=O)NCCSc1ccc(Cl)cc1)N(c1cccc(F)c1)S(C)(=O)=O 220468181 SWVFKFLZXMJULQ-ZDUSSCGKSA-N 430.954 3.542 0 40 IHAB CC[C@H](C(=O)Nc1ccc(OC)cc1OC)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O 220728202 MKBWSKANISRZPI-GOSISDBHSA-N 440.949 3.849 0 40 IHAB CC[C@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)COc1ccccc1OC 222562306 YAVHHHFFJBTUGZ-PZJWPPBQSA-N 426.557 3.839 0 40 IHAB O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1c(Cl)cccc1Cl 223047005 MAZYXIAWUVNBAR-UHFFFAOYSA-N 443.352 3.586 0 40 IHAB COc1ccccc1CNC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(C)cc1 223069327 QWBZMCXWMGZEBU-UHFFFAOYSA-N 436.533 3.685 0 40 IHAB COCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)COc1ccccc1 223365310 IBRJXVSDSVKUNY-SANMLTNESA-N 446.547 3.988 0 40 IHAB COc1ccc(Br)cc1S(=O)(=O)NCCOc1cccc2ccccc12 223576446 SLRVHTWYGRVBKY-UHFFFAOYSA-N 436.327 3.968 0 40 IHAB COc1ccc(-c2noc(CNS(=O)(=O)Cc3ccc(Cl)c(Cl)c3)n2)cc1 223647552 RDZGDZUELNXHRK-UHFFFAOYSA-N 428.297 3.672 0 40 IHAB Cc1ccc(-c2nnc(NC(=O)[C@H](C)N(c3cc(C)ccc3C)S(C)(=O)=O)s2)cc1 224769929 YQLNQPKFDHAOEW-INIZCTEOSA-N 444.582 3.924 0 40 IHAB CSc1cccc(N(CCCC(=O)NCCc2ccc(Cl)cc2)S(C)(=O)=O)c1 224802875 LVWYQDOXGAWADM-UHFFFAOYSA-N 441.018 3.967 0 40 IHAB COc1cccc(N(CCCC(=O)Nc2ccc(OC(F)(F)F)cc2)S(C)(=O)=O)c1 224890962 GIQKCJVZXLJCHM-UHFFFAOYSA-N 446.447 3.779 0 40 IHAB CC(C)n1c(=O)sc2cc(NC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)ccc21 225169197 KYFOHUAAHARBRG-UHFFFAOYSA-N 445.566 3.681 0 40 IHAB CCCn1c(=O)sc2cc(S(=O)(=O)Nc3cccc(C(=O)OCC)c3C)ccc21 225728237 RCCAYHAUMHCUAU-UHFFFAOYSA-N 434.539 3.759 0 40 IHAB C[C@@H]1Cc2ccccc2N1C(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(C)(=O)=O 226062988 ATCOEDMPVXEJME-CYBMUJFWSA-N 427.353 3.733 0 40 IHAB Cn1cc([C@@H]([C@@H]2C(=O)CC(C)(C)C[C@@H]2O)[C@H]2C(=O)CC(C)(C)C[C@@H]2O)c2ccccc21 248163753 YWTKGOCKRQCYLM-BXCUIXJJSA-N 425.569 3.994 0 40 IHAB COc1ccccc1OCCc1cc([C@@H]2CN(Cc3ccc(F)cc3)CCO2)nn1C 257271273 MXPZANLQTCDTAH-DEOSSOPVSA-N 425.504 3.763 0 40 IHAB CCC1(CC)C[C@H](NC(=O)[C@H](c2ccccc2)N(C)S(C)(=O)=O)c2ccccc2O1 260796503 ZUEWSYFJNRZODX-FPOVZHCZSA-N 430.570 3.818 0 40 IHAB C[C@@H]1C[C@H]1C(=O)Nc1nn(Cc2ccccc2)c2nnc(-c3ccc4c(c3)OCO4)cc12 306132378 LGYZZSRGVKSFGF-RHSMWYFYSA-N 427.464 3.865 0 40 IHAB Cc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3ccccc3C(C)C)n2C)c1 409072856 SQQMNXVUABVPQB-UHFFFAOYSA-N 437.569 3.908 0 40 IHAB COCCNC(=O)Cn1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)c2ccccc21 409142159 LQEUAPYHCWXEPS-BKUYFWCQSA-N 449.532 3.640 0 40 IHAB CC(=O)c1cccc(OCC(=O)N[C@@H](Cc2ccc(O)cc2)c2nc3ccccc3[nH]2)c1 534289800 RANKSMZGTGFSML-QHCPKHFHSA-N 429.476 3.950 0 40 IHAB Cc1nnc2ccc(N3CCCN(C(=O)CC(c4ccccc4)c4ccccc4)CC3)nn12 1775966952 WAQIVBJXVNQLTE-UHFFFAOYSA-N 440.551 3.694 0 40 IHAB CCn1c(SCC(=O)N2CCN(c3cccc(Cl)c3)CC2)nc2ccccc2c1=O 624832 MACRTOQEWPTQRE-UHFFFAOYSA-N 442.972 3.511 0 40 IHAB Cc1ccccc1Nc1nc2nonc2nc1Nc1c(C)n(C)n(-c2ccccc2)c1=O 712076 JUQPYOLVLQPFJH-UHFFFAOYSA-N 428.456 3.606 0 40 IHAB Cc1cc2cc(CN(C[C@@H]3CCCO3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2cc1C 923176 WOQBFKLDDFGEJC-FQEVSTJZSA-N 426.538 3.515 0 40 IHAB CC(C)OC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(Cl)cc3)CC2=O)cc1 993285 XYUHPLUJBVAHIK-QGZVFWFLSA-N 443.883 3.684 0 40 IHAB Cc1nn(Cc2c(F)c(F)c(F)c(F)c2F)c(C)c1NC(=O)c1c(Cl)cnn1C 2771869 VOAQZHCUFUMGAL-UHFFFAOYSA-N 433.768 3.883 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 3353540 PQXKTKRIOAGZIG-UHFFFAOYSA-N 436.477 3.537 0 40 IHAB C[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2cccc(C(F)(F)F)c2)C1=O 3457414 LNDKUUDEISOKCU-GOSISDBHSA-N 425.794 3.765 0 40 IHAB CN(CC(=O)Nc1ccccc1Br)CC(=O)Nc1ccccc1C(F)(F)F 3491687 PIYZZMYURWBXRV-UHFFFAOYSA-N 444.251 3.977 0 40 IHAB COc1cc(C(C)=O)ccc1OCC(=O)Nc1ccc(I)cc1 3606358 GGASTFQYWJMKKI-UHFFFAOYSA-N 425.222 3.520 0 40 IHAB O=c1c(-c2cccs2)ccc2n1C[C@H]1C[C@@H]2CN(S(=O)(=O)c2ccc(F)cc2)C1 4237166 SJNOCHGNHHDHJI-LSDHHAIUSA-N 430.526 3.524 0 40 IHAB biogenic,in-vitro CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3CCCCC3)cc2c1 6198102 KPQCOZBFKUIKQO-QHCPKHFHSA-N 428.540 3.701 0 40 IHAB CCOC(=O)[C@H](C)Sc1nnc(Cn2c(=O)sc3ccccc32)n1-c1ccccc1 6577302 OFMNHUBFONWQLL-AWEZNQCLSA-N 440.550 3.736 0 40 IHAB Cc1c(CC(=O)NCCCn2ccnc2)c(=O)oc2c(C)c3oc4c(c3cc12)CCCC4 8791863 XNMXREKGAUBKHR-UHFFFAOYSA-N 433.508 3.980 0 40 IHAB biogenic COc1ccc(NC(=O)CSc2nc(CC(=O)NCc3ccccc3)cs2)cc1 8851391 MYXQPUATNOIDCT-UHFFFAOYSA-N 427.551 3.741 0 40 IHAB CC(C)c1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2[C@H]2CCS(=O)(=O)C2)cc1 8917051 WNKOOTZLXXNYMW-LAUBAEHRSA-N 437.517 3.649 0 40 IHAB O=C(COc1ccc(Cl)cc1Br)Nc1ccccc1N1CCOCC1 8965532 MKICUMLXOQDADJ-UHFFFAOYSA-N 425.710 3.957 0 40 IHAB COc1ccc(C(C)(C)C)cc1NC(=O)CCc1c(C)nc(SCC(N)=O)nc1C 9050023 LURQXCISCXDVDQ-UHFFFAOYSA-N 430.574 3.548 0 40 IHAB CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1nnc(C2CC2)s1 9302720 LGWMHFMKHJKZDM-UHFFFAOYSA-N 444.586 3.954 0 40 IHAB CCOc1ccc(NC(=O)CN(C)C(=O)c2cc(F)c(F)c(F)c2F)cc1OCC 9317006 RKZYWOFLOTWMRX-UHFFFAOYSA-N 428.382 3.751 0 40 IHAB CCOc1ccc(NC(=O)Cn2ccn3nc(-c4ccc(OCC)cc4)cc3c2=O)cc1 9321193 QCOBFLUSUNMSKE-UHFFFAOYSA-N 432.480 3.599 0 40 IHAB CCc1nc2ccccc2n1CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 9373584 IYDWZLAZZQQTCQ-UHFFFAOYSA-N 440.569 3.720 0 40 IHAB Cc1ccc(-c2nnc3ccc(SCC(=O)Nc4ccc5c(c4)OCCO5)nn23)cc1 9415090 FHEXAEPRVPGEER-UHFFFAOYSA-N 433.493 3.602 0 40 IHAB CCCCNc1ccc(S(N)(=O)=O)cc1NS(=O)(=O)c1ccc2ccccc2c1 9612578 TZSOHULIUQVGDT-UHFFFAOYSA-N 433.555 3.500 0 40 IHAB CC(C)CC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)cc1 9613099 VJTIBZBHEDSVLU-RUZDIDTESA-N 433.508 3.638 0 40 IHAB Cc1ccc(-c2cc(-c3nnc(S[C@H](C)C(=O)NC4CC4)n3N)c3ccccc3n2)cc1 9646128 QYIBNRWSDCMJHG-OAHLLOKOSA-N 444.564 3.942 0 40 IHAB Cc1ccc2c(CN3C(=O)N[C@](C)(c4cccc(Br)c4)C3=O)cc(=O)oc2c1 9664575 VHLWFBKKEJOKNW-OAQYLSRUSA-N 441.281 3.831 0 40 IHAB Cc1cc2nnc(SCC(=O)Nc3ccc(N4CCOCC4)cc3)n2c2ccccc12 9670865 MLTKUGQISPGUHU-UHFFFAOYSA-N 433.537 3.758 0 40 IHAB Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(Cl)cc3)c(=O)n2C)c1C 10104911 PHOSWANWSCHHOS-UHFFFAOYSA-N 449.942 3.757 0 40 IHAB Cc1c(Cl)cccc1-n1c(S[C@H](C(=O)NC(N)=O)C(C)C)nc2ccccc2c1=O 10367314 XLZBBXWRALZUNR-KRWDZBQOSA-N 444.944 3.659 0 40 IHAB COc1ccccc1[C@H]1c2c(oc3ccc(Cl)cc3c2=O)C(=O)N1CCCN(C)C 11614681 ATGZLBBBNOPAFG-FQEVSTJZSA-N 426.900 3.952 0 40 IHAB COc1cccc(N2C[C@H](c3nc4ccccc4n3CC(=O)N3CCCCCC3)CC2=O)c1 12062100 SBMKAUHOEPJKDG-LJQANCHMSA-N 446.551 3.968 0 40 IHAB CN(C)S(=O)(=O)c1cccc(NC(=O)CSc2nc3cccc4cccc([nH]2)c43)c1 12566913 FCSIAPALCGUTFB-UHFFFAOYSA-N 440.550 3.697 0 40 IHAB Cc1ccc([C@H](CN2CCOCC2)NC(=O)c2ccc(OCc3cscn3)cc2)cc1 12683912 LFVLHCASHNJUMO-QHCPKHFHSA-N 437.565 3.834 0 40 IHAB COc1ccc(NC(=O)CCn2c(-c3cccc(C)c3)n[nH]c2=S)cc1NC(C)=O 12758487 JOUGRQRTVFOQSQ-UHFFFAOYSA-N 425.514 3.912 0 40 IHAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCN(c2ccccn2)CC1 12788045 IYGQKQNJIJYVIG-VAWYXSNFSA-N 436.519 3.691 0 40 IHAB C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)O[C@H](C)C(=O)N1CCCc2ccccc21 12911248 SNLPQDDMPRIANC-NBERTQSDSA-N 438.568 3.619 0 40 IHAB C[C@H](Sc1nnc([C@@H]2COc3ccccc3O2)n1C)C(=O)N1c2ccccc2C[C@H]1C 12982593 LRCCTNVDOZQGFJ-SIFCLUCFSA-N 436.537 3.786 0 40 IHAB C[C@@H]1Cc2cc(C3=NN=C(Nc4cccc(Cl)c4)SC3)ccc2N1S(C)(=O)=O 12987002 OIWZIHLXOAIPFR-GFCCVEGCSA-N 434.974 3.970 0 40 IHAB O=C(CSc1ccccc1C(=O)OCC(=O)Nc1ccccc1F)NCc1ccco1 13038906 VFYNRXSEILONKN-UHFFFAOYSA-N 442.468 3.623 0 40 IHAB COc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)Nc2nc3ccccc3s2)cc1 13108415 FALOKKHJAJWYHW-QGZVFWFLSA-N 433.555 3.637 0 40 IHAB COc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccc(F)cc3)c3ccccc32)c(OC)c1 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IHAB CS(=O)(=O)N1CCC(C(=O)N[C@H](c2ccc3c(c2)CCCC3)c2cccs2)CC1 22137062 MYMHDYQECAMBCK-OAQYLSRUSA-N 432.611 3.504 0 40 IHAB COc1cc(C)c(CN2CCN([C@@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)CC2)cc1OC 22787224 ZMPAQJGCEGGOFL-MOPGFXCFSA-N 443.563 3.535 0 40 IHAB CC(C)N(Cc1nnc(-c2ccc(Cl)cc2)o1)CN1C(=O)NC2(CCCCC2)C1=O 23817570 DAQVLPFCFLZESA-UHFFFAOYSA-N 431.924 3.813 0 40 IHAB COc1ccc(CNc2nc(CN3CCOCC3)nc3sc4c(c23)CC[C@@H](C)C4)cn1 24528640 VXFGWLZWZDHSTN-OAHLLOKOSA-N 439.585 3.664 0 40 IHAB CCOc1cc(COC(=O)CCCN2C(=O)c3ccccc3C2=O)ccc1OC(F)F 24770676 FDMVCVKXKDPXQJ-UHFFFAOYSA-N 433.407 3.806 0 40 IHAB Cc1ccc(N2C[C@@H](C(=O)NCc3ccc(NC(=O)c4ccco4)cc3)CC2=O)cc1F 24986754 WGDPFPMWPOTKIK-KRWDZBQOSA-N 435.455 3.649 0 40 IHAB COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(OC(=O)c2ccc(C)cc2)cc1 26963002 ZVVYUOLJENQPNZ-UHFFFAOYSA-N 435.476 3.795 0 40 IHAB C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 32716867 YTHVDFMTDVJKGO-ZDUSSCGKSA-N 444.944 3.543 0 40 IHAB Cc1ccc(S(=O)(=O)N[C@@H](CCSc2nc3ncccn3n2)c2ccccc2)cc1 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CCc1cccc2c(/C=C3\NC(=S)N(CC)C3=O)cn(CC(=O)NC3CCCCC3)c12 39556711 GSOWLVLNYJILHW-MOSHPQCFSA-N 438.597 3.730 0 40 IHAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)OCC(=O)NCCOc1ccc(Cl)cc1 39983552 XFZYVRADPQNMKY-UHFFFAOYSA-N 448.306 3.840 0 40 IHAB COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)O[C@@H](C)C(=O)Nc2ccc(F)c(Cl)c2)cc1 39996272 QSUFIOCRSZYAFO-BLOBHPOZSA-N 448.878 3.576 0 40 IHAB COc1cc(OC)cc(-c2nnc(SCCC(=O)Nc3ccc4c(c3)OCO4)o2)c1 40025033 XUTIONGCWXJQSM-UHFFFAOYSA-N 429.454 3.603 0 40 IHAB O=C1[C@@H]2[C@@H](c3ccc(Br)cc3)N3CCC[C@H]3[C@@H]2C(=O)N1c1ccc(F)cc1 43732505 PBDKIJISGUZBQN-CADBVGFASA-N 429.289 3.913 0 40 IHAB COc1ccc([C@@H]2[C@H](C(=O)OCc3ccccc3)C(=O)N=C3Nc4ccccc4N32)cc1 54175970 KDZDYQANPKXOJI-FCHUYYIVSA-N 427.460 3.924 0 40 IHAB Cc1ccccc1-n1c(=O)c2sccc2n(CC(=O)N[C@@H](C)CCc2ccccc2)c1=O 57489778 CXMYCVPYQNCABU-SFHVURJKSA-N 447.560 3.660 0 40 IHAB Cc1ccn2cc(CNC(=O)C[C@@H]3Sc4ccc(C(F)(F)F)cc4NC3=O)nc2c1 65563752 UJJZDZGANQKXJZ-INIZCTEOSA-N 434.443 3.781 0 40 IHAB CCCOc1ccc(CNC(=O)CCn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)cc1 67261087 SFOBXPKTRADJAE-UHFFFAOYSA-N 448.498 3.797 0 40 IHAB CC(C)(C)OC(=O)N1CCN(Cc2nnc(C(=O)Nc3ccc(F)cc3)s2)C(C)(C)C1 72308682 HXPFXAAYYRQYJC-UHFFFAOYSA-N 449.552 3.761 0 40 IHAB COc1cc(C)c(S(=O)(=O)N2CCC[C@H]2c2cccc(Nc3ncccn3)n2)cc1C 72375818 WIWIMAZWDYJINE-SFHVURJKSA-N 439.541 3.766 0 40 IHAB COc1cccc(-c2c[nH]c([C@@H]3CCCN3C(=O)c3cc(OC)c4c(c3)OCCO4)n2)c1 79054499 CAISNIQMAOCXDP-IBGZPJMESA-N 435.480 3.842 0 40 IHAB O=C1C[C@@H](N2CCN=C2C2=C(O)/C(=C\c3ccccc3)CC2)C(=O)N1c1cccc(F)c1 105205185 RVEYVSZQUHFGBE-WYPWOVKWSA-N 431.467 3.861 0 40 IHAB COc1cccc(-c2noc(CNC(=O)C3CCN(Cc4cccc(Cl)c4)CC3)n2)c1 219412028 UBRKDDZPONITOI-UHFFFAOYSA-N 440.931 3.927 0 40 IHAB CC(C)Oc1ccc(CCCNC(=O)[C@@H](C)N(c2cccc(F)c2)S(C)(=O)=O)cc1 220485392 FFFPXXMAWXGWFM-QGZVFWFLSA-N 436.549 3.516 0 40 IHAB COCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1 223062295 LJGBQALFHRAFDH-RUZDIDTESA-N 430.548 3.632 0 40 IHAB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NCCOc1ccccc1Cl 223460868 UHJSDBRYQYGTJF-UHFFFAOYSA-N 444.940 3.731 0 40 IHAB COC(=O)c1cc(S(=O)(=O)NCc2nc(-c3ccc(C(C)C)cc3)no2)ccc1Cl 223615071 HEAVMLBRGKAWDQ-UHFFFAOYSA-N 449.916 3.779 0 40 IHAB CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCCOc1ccc(OC)cc1 224869418 HVBITKRODWSUNX-GOSISDBHSA-N 430.520 3.937 0 40 IHAB CC(C)(Cc1ccccc1)NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 224890581 GTCKITFTRNGUHV-UHFFFAOYSA-N 428.476 3.609 0 40 IHAB COc1ccc(SCCCNC(=S)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1 225803160 BLNJRMAYWSJFHX-UHFFFAOYSA-N 439.628 3.560 0 40 IHAB Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCc2cccc(C)c2)cc1 225999419 UTJKOZMDKYYPAF-UHFFFAOYSA-N 436.577 3.853 0 40 IHAB O=C(O)c1ccc(Br)c(NS(=O)(=O)c2ccc(Br)cc2)c1 226354071 BVTYSHMQKUEJPP-UHFFFAOYSA-N 435.093 3.711 0 40 IHAB Cc1nn(C)cc1S(=O)(=O)N1CCCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 257296898 REXBSXWYZPZJGJ-GOSISDBHSA-N 434.949 3.877 0 40 IHAB COC(=O)CN1C(=O)N/C(=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)C1=O 408548620 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IHAB O=C(Nc1cccc(C[S@](=O)Cc2ccccc2)c1)[C@@]1(O)CCN(Cc2ccccc2)C1 610414825 VYSJAHWMXRZUTF-HVIPQOSHSA-N 448.588 3.711 0 40 IHAB O=C(O)CCCC(=O)N1CCC2(CCCCc3ccccc3OCCCC(=O)NC2)CC1 643578686 GCGFHTKTXHTDHK-UHFFFAOYSA-N 444.572 3.552 0 40 IHAB CCc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)S(=O)(=O)c3ccccc3)cc2c1 923061 KOKCAPNWKCJSJN-UHFFFAOYSA-N 433.533 3.877 0 40 IHAB COc1cc(C(=O)N2CCC[C@H](c3nc(-c4ccc(C)o4)no3)C2)cc(OC)c1OC 1364760 CFMBMTLRGQISHA-AWEZNQCLSA-N 427.457 3.684 0 40 IHAB Cc1cc2nnc(SCC(=O)Nc3sc4c(c3C(N)=O)CCC4)n2c2ccccc12 1895878 BRESLLPURJXERA-UHFFFAOYSA-N 437.550 3.571 0 40 IHAB CCOC(=O)c1c(NC(=O)COC(=O)c2ccccc2)sc2c1CC(C)(C)NC2(C)C 3405749 NGBDJBYSPXJZPZ-UHFFFAOYSA-N 444.553 3.880 0 40 IHAB O=C1c2[nH]nc(-c3ccccc3O)c2[C@H](c2cccc(OCc3ccccc3)c2)N1CCO 8606582 FBZWOXAVQVJGPI-VWLOTQADSA-N 441.487 3.899 0 40 IHAB aggregator C[C@]1(c2ccccc2Cl)NC(=O)N(CC(=O)Nc2ccc(N3CCCCC3)cc2)C1=O 8728544 FKBCRVPUHQOEAB-HSZRJFAPSA-N 440.931 3.736 0 40 IHAB Cc1noc(C)c1S(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(Cl)cc1 8828136 UMELROWOHBTGJL-IBGZPJMESA-N 445.928 3.699 0 40 IHAB COc1ccc(-c2csc3ncn(CC(=O)N4CCc5ccccc54)c(=O)c23)cc1OC 9126082 CLCJCOPOCYVWLP-UHFFFAOYSA-N 447.516 3.732 0 40 IHAB CCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)NC(=O)C(C)(C)CO3)cc1 9173653 FRXSHFFBKWCHGD-UHFFFAOYSA-N 431.514 3.583 0 40 IHAB C[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C(=O)Nc1ccc(Cl)cc1 9255945 YLITXDXWRFIKEC-GFCCVEGCSA-N 425.901 3.882 0 40 IHAB COc1cc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCOC(C)C)ccc1O 9293141 OACIGTDLGCEVFJ-QHCPKHFHSA-N 437.496 3.857 0 40 IHAB O=C(CN1C(=O)N[C@@H](Cc2ccccc2)C1=O)Nc1ccccc1Sc1ccccc1 9494634 SYLIKNGTQRADJC-FQEVSTJZSA-N 431.517 3.939 0 40 IHAB O=C(NCc1nnc(SCC(=O)N2CCCCCC2)o1)c1cccc(C(F)(F)F)c1 9518596 YSVFFAWRESGRSE-UHFFFAOYSA-N 442.463 3.513 0 40 IHAB O=C(NCCCn1ccc2ccccc21)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 9605719 LATVGVQRXHPRRQ-UHFFFAOYSA-N 431.945 3.556 0 40 IHAB O=C(Nc1ccc(F)cc1)c1cn(C[C@H]2CCCO2)cc2c(=O)n(-c3ccccc3)nc1-2 9663635 GKGUWSYQVDUPBR-LJQANCHMSA-N 432.455 3.709 0 40 IHAB CN(Cc1ccccc1)C(=O)CSc1ccc(S(=O)(=O)N(C)C2CCCCC2)cn1 9799104 XBMMQOIYGAZWJO-UHFFFAOYSA-N 447.626 3.786 0 40 IHAB COc1cc(-n2c(=O)c3ccccc3n(Cc3ccccc3C)c2=O)cc(OC)c1OC 9937325 OYTAEWXNFKMUBK-UHFFFAOYSA-N 432.476 3.535 0 40 IHAB COc1ccc(-c2nc(COC(=O)c3nnn(-c4ccc(OC)cc4)c3C)c(C)o2)cc1 12415661 KJXHIPRDHNMVJQ-UHFFFAOYSA-N 434.452 3.913 0 40 IHAB COCCCn1c(=O)c2ccccc2n2c(S[C@@H](C)C(=O)c3ccc(F)cc3)nnc12 12634512 NCRVSJGHFGREIP-AWEZNQCLSA-N 440.500 3.583 0 40 IHAB Cc1cccc(-c2nnc(S[C@H](C(=O)NC(N)=O)c3ccccc3)n2Cc2ccco2)c1 12684646 SRTVHQQKUQCCIV-IBGZPJMESA-N 447.520 3.923 0 40 IHAB COc1ccc(C)cc1-c1csc(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)n1 12761623 PEIBIWLBWIYBQF-UHFFFAOYSA-N 443.550 3.702 0 40 IHAB O=C(c1ccc(C2SCCCS2)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 12773225 GKMLZDOQNJNDEF-UHFFFAOYSA-N 448.635 3.702 0 40 IHAB O=C(NC1CCCCCC1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)s1 12811776 SKSKGJKWXJATFC-ZDUSSCGKSA-N 435.409 3.503 0 40 IHAB CC(C)(C)NC(=O)[C@H](c1ccncc1)N(C(=O)c1csnn1)c1ccc(Cl)cc1 12870510 IZINXVGXQQNRSM-KRWDZBQOSA-N 429.933 3.889 0 40 IHAB CCc1ccc(NC(=O)CN2C(=O)C(C)(C)Oc3ccc(C(=O)NC(C)(C)C)cc32)cc1 12875157 KBBFNFHBCKPZBU-UHFFFAOYSA-N 437.540 3.920 0 40 IHAB CC(C)CCNc1nc(C(=O)OCc2nc(N)nc(Nc3ccc(F)cc3)n2)cs1 12942354 ZQGAWWNNMKTXNA-UHFFFAOYSA-N 431.497 3.608 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 13011468 RCOKMSNKIYYICV-DHZHZOJOSA-N 428.414 3.675 0 40 IHAB O=C(COC(=O)C1C[C@@H]2CCC[C@H](C1)C21SCCS1)NC(=O)NC1CCCCC1 13027377 JJYJPXMQPGBZJP-MQVJKMGUSA-N 440.631 3.691 0 40 IHAB COCCCN1C(=O)c2n[nH]c(-c3cc(C)cc(C)c3O)c2[C@H]1c1ccc(O)c(OC)c1 13127025 RXLMGEVNTZDDNP-JOCHJYFZSA-N 437.496 3.695 0 40 IHAB COc1ccc(/C=c2/sc3nc4ccccc4n3c2=O)cc1OC(=O)c1ccc(C)cc1 13640427 SEAZSNYPPBLOJL-HYARGMPZSA-N 442.496 3.993 0 40 IHAB O=C(COc1ccc(Cl)cc1)N1CCc2cc(S(=O)(=O)NC3CCCC3)ccc21 13999830 JJYUWVYZUYVXOG-UHFFFAOYSA-N 434.945 3.529 0 40 IHAB Cc1nn(C)c(C)c1NC(=O)CSc1nnc(-c2ccoc2C)n1Cc1ccccc1 14167607 GCLPNRDTBZFOAQ-UHFFFAOYSA-N 436.541 3.976 0 40 IHAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)CCc1ncc(-c2c(F)cccc2F)o1 14372542 VYBAEXABGGQHBB-UHFFFAOYSA-N 430.436 3.509 0 40 IHAB COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3cccnc3)nn2[C@@H]1c1ccccn1 15962361 LQZGJTJGRFNJEQ-OAQYLSRUSA-N 439.479 3.671 0 40 IHAB CC[C@@H](C)Oc1ccc(C(=O)NC(=S)Nc2ccc(NC(=S)NC(C)=O)cc2)cc1 16610377 FFUCZGNEFLVEBG-CYBMUJFWSA-N 444.582 3.824 0 40 IHAB CCCCCNC(=O)c1sccc1S(=O)(=O)N1CCN(c2cc(C)ccc2C)CC1 16845562 LUIYFDGGOMBTKE-UHFFFAOYSA-N 449.642 3.796 0 40 IHAB COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=S)N2Cc2ccncc2)cc1 18195008 ZTTADAMYZSFYAZ-OAQYLSRUSA-N 446.532 3.621 0 40 IHAB Cc1ccc([C@@H](C)C(=O)N2CCCC[C@@H]2c2nc(O)c3c(n2)CN(C(=O)C2CC2)CC3)cc1 19136067 WVNQWEIYCDEZQD-VGOFRKELSA-N 448.567 3.643 0 40 IHAB Cc1ccccc1-c1noc([C@H]2CN(C(=O)COc3ccc(F)c(Cl)c3)CCO2)n1 19237499 UXAHSTUDIXMZHX-GOSISDBHSA-N 431.851 3.816 0 40 IHAB CCNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)C2CCCC2)CCO1 19529231 ZEQZNLSWDBTHDA-DEOSSOPVSA-N 426.582 3.882 0 40 IHAB CN(C)c1cc([C@H]2CCCN(Cc3ccc4c(c3)OCCO4)C2)nc(-c2ccncc2)n1 19584582 GKYOTTMILXCMDQ-FQEVSTJZSA-N 431.540 3.755 0 40 IHAB O=C(Nc1nnc(SCc2cc(=O)n3ccsc3n2)s1)c1ccccc1Cl 20984055 LHAOEYHYHHWYKF-UHFFFAOYSA-N 435.943 3.806 0 40 IHAB Cc1nc(S[C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)n(C[C@H]2CCCO2)c1C 20990508 WLUUINYZZOPGAS-PZJWPPBQSA-N 428.602 3.508 0 40 IHAB COc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCN(C3CCCCC3)CC2)cc1 22929138 BBWRCOBWMOERQI-RUZDIDTESA-N 446.599 3.770 0 40 IHAB COc1ccc([C@@H](CNC(=O)CSc2nnc(NC3CC3)s2)N2CCCCC2)cc1 24889994 AZEPZOSBIVBNCE-GOSISDBHSA-N 447.630 3.557 0 40 IHAB Cc1ccc(-n2c(S[C@@H](C)c3nc(N)nc(N(C)C)n3)nc3ccccc3c2=O)cc1C 24962671 WHYIATHYLOWJKK-HNNXBMFYSA-N 447.568 3.689 0 40 IHAB CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc(C)nc3)ccc2OC)cc1 25080499 HWURAFGSTJRVPW-UHFFFAOYSA-N 441.509 3.850 0 40 IHAB O=C(COCc1nc2ccccc2c(=O)[nH]1)N1CCc2sccc2[C@@H]1c1ccccc1 25904079 HLGIQSCSQKBOHT-QHCPKHFHSA-N 431.517 3.676 0 40 IHAB O=C(COc1ccc(F)cc1)N(Cc1ccc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 27745967 XCXDTLZWDYHKME-MRXNPFEDSA-N 446.327 3.727 0 40 IHAB COc1ccccc1N1CCN(C(=O)Cn2c(SC(F)F)nc3ccccc32)CC1 27748266 ZTFLMAXUPAZOSZ-UHFFFAOYSA-N 432.496 3.708 0 40 IHAB Cc1ccc(CN2C[C@H](C(=O)OCC(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)cc1 28609413 ZMGJGFQLWKCVNI-MRXNPFEDSA-N 434.414 3.544 0 40 IHAB O=C(NCCCc1ccccc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 30754654 MNYAGPRBVQCMBA-UHFFFAOYSA-N 434.989 3.631 0 40 IHAB CCn1cc(-c2nnc(SCC(=O)Nc3cccc(Br)c3)n2CC)cn1 32604041 HACXXYHWPINAFA-UHFFFAOYSA-N 435.351 3.675 0 40 IHAB CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc2c(c1)OCCCO2 32604184 FPEXZTDUXAMZLS-UHFFFAOYSA-N 440.525 3.769 0 40 IHAB COc1ccc(C(=O)Nc2ccccc2OCc2cc(=O)n3ccc(C)cc3n2)cc1OC 33067997 SHFGQBVHCTYFNZ-UHFFFAOYSA-N 445.475 3.851 0 40 IHAB O=C1CC[C@]2(C(=O)Nc3ccc(-n4cnc5ccccc54)nc3)Sc3ccccc3N12 36390871 IJIMXYOZRFMCJM-HSZRJFAPSA-N 427.489 3.988 0 40 IHAB COc1ccc(Cl)cc1N([C@@H](C)C(=O)N[C@@H](C)c1ccc(C)cc1C)S(C)(=O)=O 38772450 DVWAOGBGFXRXFG-HOTGVXAUSA-N 438.977 3.997 0 40 IHAB C[C@H](Sc1nc(N)cc(N)n1)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 40159224 DNHXLCHGWDACNB-NHYWBVRUSA-N 442.932 3.746 0 40 IHAB CCC(=O)N1CCc2cc(C(=O)Nc3nc(-c4ccc(CNC(C)=O)o4)cs3)ccc21 48312643 FHQAOCPGULTRNP-UHFFFAOYSA-N 438.509 3.591 0 40 IHAB CC[C@@H]1CCCCN1C(=O)Cn1c(=O)n(-c2ccc(C)c(C)c2)c(=O)c2sccc21 57491059 QUPLXIDVOGYDTI-QGZVFWFLSA-N 425.554 3.622 0 40 IHAB O=C(NC[C@H]([C@H]1CCOC1)N1CCCC1)Nc1cccc(NC(=O)c2cccs2)c1 58167346 ASJZOEWOQOKTKL-QFBILLFUSA-N 428.558 3.623 0 40 IHAB CCn1c2ccccc2c2cc(NC(=O)CN3CCN(C(=O)c4ccco4)CC3)ccc21 58219052 HEUAKEYWYGYENU-UHFFFAOYSA-N 430.508 3.804 0 40 IHAB CCCSc1ncc(Br)c(C(=O)NCc2nc(-c3cccs3)no2)n1 61997052 QOOWDUVOEBZCCL-UHFFFAOYSA-N 440.348 3.783 0 40 IHAB CCOC(=O)c1cc2cc(NC(=O)NC[C@@H]([C@H]3CCOC3)N3CCCC3)ccc2s1 69951177 WRWOQKVVLPKIGZ-YJBOKZPZSA-N 431.558 3.700 0 40 IHAB Cc1ccc(N2CCN(C(=O)c3cc(=O)c(OCc4ccccc4)cn3C)CC2)c(C)c1 71287828 SPYYNPGQNXIHOB-UHFFFAOYSA-N 431.536 3.544 0 40 IHAB CCOc1cccc(CNC(=O)c2cnn(-c3ccc(-c4nc(C5CC5)no4)cn3)c2C)c1 71768665 APYVNEDXEIUGRM-UHFFFAOYSA-N 444.495 3.832 0 40 IHAB Cc1cc(-c2cnc(N)nc2)cc([C@@H]2CCCN(C(=O)COc3c(C)cccc3C)C2)n1 72353704 BEQOSAZYCSOCLK-LJQANCHMSA-N 431.540 3.831 0 40 IHAB CNC(=O)[C@]1(Cc2ccc(-c3ccc(F)cc3)cc2)CN(C(=O)Cc2ccccc2)CCO1 72389305 PCCWLPQZHHMMIU-MHZLTWQESA-N 446.522 3.622 0 40 IHAB COc1ccc(-c2cc(-c3cccnc3)n(CCNC(=O)[C@@H]3CCC[C@H](OC)C3)n2)cc1 72390437 MYNTVJXDICBLAQ-KNQAVFIVSA-N 434.540 3.942 0 40 IHAB COc1ccc(CCCC(=O)N2CCC([C@@H]3C[C@H](C(F)F)n4ncnc4N3)CC2)cc1C 72395641 AIBJDDDXERZIJL-RBUKOAKNSA-N 447.530 3.847 0 40 IHAB CC[C@@H](c1nnnn1C(C)(C)CC)N(CCCO)Cc1cc2cc(C)cc(C)c2[nH]c1=O 95202031 KIZHVHZKNYXRBU-FQEVSTJZSA-N 440.592 3.612 0 40 IHAB CC(=O)c1ccc(OCC(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)cc1 95417050 MFDFVOKIHVPCSC-UHFFFAOYSA-N 445.357 3.811 0 40 IHAB O=C(Nc1ccc2ncc(Cl)n2c1)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 95464830 NVTLRFOAAFDGCJ-OAHLLOKOSA-N 447.720 3.994 0 40 IHAB CC1(C)C[C@@H](n2nc(O)c3c2NC(=O)CS[C@H]3c2ccc(F)c(F)c2F)CCO1 96118399 CFSIYHGGBLPFTN-FVMDXXJSSA-N 427.448 3.911 0 40 IHAB COc1ccc(-c2nc(-c3noc4ccc(C(=O)N5CCCN(C)CC5)cc34)co2)cc1 96154285 IWVKKKKMKIEECJ-UHFFFAOYSA-N 432.480 3.936 0 40 IHAB CC(C)N1CCC(c2cc(O)n3nc([C@H]4CCCN4C(=O)Cc4ccccc4)cc3n2)CC1 100213093 ULOYISORFDLKIW-HSZRJFAPSA-N 447.583 3.929 0 40 IHAB COc1ccc(C(=O)COc2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@H]6C[C@H]56)[C@H]4C3=O)cc2)cc1 100638019 SYUJAWVNBGZCNK-FWDUKEBRSA-N 429.472 3.514 0 40 IHAB CC(=O)NC12C[C@H]3C[C@H](C1)CC(C(=O)OCCOc1cccc(Br)c1)(C3)C2 102223026 WJAORBDSAGSDPV-RKAKKKFESA-N 436.346 3.846 0 40 IHAB CC[C@@H](NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCC(C)CC2)c1)c1ccccc1 216461181 MCDMWFRAHBKAOR-OAQYLSRUSA-N 430.570 3.997 0 40 IHAB CCCCN1C(C)=NS(=O)(=O)c2cc(C(=O)Nc3ccc(OC)c(OC)c3)ccc21 223117079 SYBWRBQKLPGPAD-UHFFFAOYSA-N 431.514 3.683 0 40 IHAB COc1ccccc1OC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1 223930328 WECNXDKVHOCJKB-QGZVFWFLSA-N 440.521 3.693 0 40 IHAB CCCSc1nnc(NC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)s1 224016754 XIQHSHKLTZAQLN-UHFFFAOYSA-N 428.605 3.534 0 40 IHAB COC(=O)c1cc(S(=O)(=O)N[C@H]2CC(C)(C)Oc3cc(OC)ccc32)ccc1Cl 224157743 NWRRHAGLDZFVGN-KRWDZBQOSA-N 439.917 3.716 0 40 IHAB COC(=O)c1ccc(NC(=O)c2ccc(CN(C)S(=O)(=O)c3ccccc3)cc2)cc1 224406765 INSADDSBIFBQEM-UHFFFAOYSA-N 438.505 3.546 0 40 IHAB COc1cccc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3OC)cc2)c1 224532365 UIMSINVVUYYQOI-UHFFFAOYSA-N 442.493 3.522 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)C1(c2ccccc2)CCOCC1 224800220 XZRPHLOPTGIIFT-UHFFFAOYSA-N 442.581 3.938 0 40 IHAB Cc1cc(C)c(N(CC(=O)Nc2ccc(OC(F)(F)F)cc2)S(C)(=O)=O)c(C)c1 224879239 SQXQYFQACQATEO-UHFFFAOYSA-N 430.448 3.915 0 40 IHAB COC(=O)CN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccc(NC(C)=O)cc1 224902392 PZWONXADFUGSLL-UHFFFAOYSA-N 438.505 3.680 0 40 IHAB COc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c1OC 225044840 PFASERVARXMJCW-UHFFFAOYSA-N 430.457 3.896 0 40 IHAB CNS(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1 225412103 IDZFQCCGGLKPQK-UHFFFAOYSA-N 428.897 3.731 0 40 IHAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)CSCc2ccc(Cl)cc2F)c1 225486931 DCCTUYKPTGNYHB-UHFFFAOYSA-N 425.865 3.924 0 40 IHAB CC(C)Sc1ccc(CC(=O)N2CCC(n3c(=O)[nH]c4ccccc4c3=O)CC2)cc1 225758986 OAVGCFMAUNTWAY-UHFFFAOYSA-N 437.565 3.597 0 40 IHAB CC(C)CNC(=S)Nc1nc(N2CCN(c3ccccc3)CC2)cc(C(F)(F)F)n1 225893131 OMNOZHFMNFTBIJ-UHFFFAOYSA-N 438.523 3.764 0 40 IHAB C[C@H](NC(=S)Nc1nc(N2CCCCCC2)cc(N2CCOCC2)n1)c1ccccc1 225960010 JZWPBBHWFOSTDF-SFHVURJKSA-N 440.617 3.741 0 40 IHAB S=C(NCc1ccc2c(c1)OCCO2)Nc1nc(Cl)cc(N2CCCCCC2)n1 226016194 ZZIIMWYYEKOAGU-UHFFFAOYSA-N 433.965 3.768 0 40 IHAB CCC(C)(C)NC(=O)CCc1c(C)nc2cc([C@H]3CCN(C(=O)C(C)(C)C)C3)nn2c1C 257255315 KHABEBLWRPGABP-SFHVURJKSA-N 441.620 3.946 0 40 IHAB CC(C)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2ccccc2Br)cc1 408588545 GREGECAIFUGYDF-CYBMUJFWSA-N 441.347 3.542 0 40 IHAB CCNC(=O)C(=O)Nn1c(C(=O)Nc2ccc(C)c(Cl)c2)cc2cc(Cl)ccc21 408607038 MVQHPYIFIQBZIK-UHFFFAOYSA-N 433.295 3.715 0 40 IHAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCCCC3)c2)cc1 408627084 YACFZRQSOPUXBM-UHFFFAOYSA-N 430.526 3.599 0 40 IHAB Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(Br)cc3)CC2=O)c(C)c1 408658005 KMBZGLAAEXRVAN-OAHLLOKOSA-N 445.313 3.601 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCCSCc1ccco1)c1ccc(Cl)cc1 408678249 HUHUXMPZHIBAQA-UHFFFAOYSA-N 430.979 3.529 0 40 IHAB CCOc1cc(C=O)cc(I)c1OCC(=O)Nc1ccccc1C 409256777 PZCILTIZQIFEHC-UHFFFAOYSA-N 439.249 3.828 0 40 IHAB CCC(=O)N1CC[C@H](c2cc3nc(C)c(CCC(=O)N4C[C@@H](C)C[C@H](C)C4)c(C)n3n2)C1 409412899 HCKRMXYKBXGGGX-ZWOKBUDYSA-N 439.604 3.509 0 40 IHAB O=C(c1ccccc1-c1ccc(C(F)(F)F)cc1)N1[C@H]2C[C@H]3[C@H]([C@@H]2O)[C@@H]2C[C@H]3[C@@H](O)[C@H]21 583310687 PUVOXYPUFXCIDU-PSGZAVAVSA-N 429.438 3.573 0 40 IHAB O=C(c1ccccc1CN1CCOCC1)N1CCC[C@@H](Cc2ccc3cc[nH]c3n2)CC1 585261886 KEVWIFLMOSPABD-HXUWFJFHSA-N 432.568 3.880 0 40 IHAB CC(=O)c1ccc(N2C(=O)c3ccc(C(=O)Oc4ccc(C(=O)O)cc4)cc3C2=O)cc1 825451 NMUGGKJRVPPRIF-UHFFFAOYSA-N 429.384 3.607 0 40 IHAB Cc1cc(C)nc(SCc2nnc(S[C@H](C)C(=O)Nc3ccccc3C)n2C)n1 907060 NDWSXELDBDPYNU-OAHLLOKOSA-N 428.587 3.942 0 40 IHAB Cc1cccc2cc(CN(Cc3cccnc3)C(=O)c3ccccc3F)c3nnnn3c12 1376842 PXLGWJBNSMQJJK-UHFFFAOYSA-N 426.455 3.963 0 40 IHAB COc1cccc(N2C(=O)[C@@H](CC(=O)Nc3ccccc3)N(Cc3ccccn3)C2=S)c1 1442528 BONZTRAAIKUFAA-OAQYLSRUSA-N 446.532 3.621 0 40 IHAB CCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(C)cc(=O)oc2c1C 2149553 DKHMMCFFLDOIKJ-LJQANCHMSA-N 443.521 3.771 0 40 IHAB biogenic Cc1ccc(NC(=O)CN(C)C(=O)CSc2nnc(NC3CCCCC3)s2)cc1 3302257 GIVPJFNTEGTWLC-UHFFFAOYSA-N 433.603 3.780 0 40 IHAB CCCn1c(=O)c2ccccc2n2c(S[C@H](C)C(=O)Nc3ccc(Cl)cn3)nnc12 3375581 XIYQEXHNUAVPMY-GFCCVEGCSA-N 442.932 3.622 0 40 IHAB CCC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)CNCCCN1CCOCC1 4747697 PCIDNUIXIXMUBH-UHFFFAOYSA-N 429.586 3.567 0 40 IHAB COCCCNC(=S)N(Cc1ccc(F)cc1)Cc1cc2cc(C)ccc2[nH]c1=O 6408309 HQPAINGOCWZTPI-UHFFFAOYSA-N 427.545 3.889 0 40 IHAB Cc1cccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(Cc3cc(C)ccc3C)c(=O)n2C)c1 9089129 NXCLMBPSRKGESD-SFHVURJKSA-N 443.551 3.658 0 40 IHAB O=C(CSc1ccc2c(c1)OCCCO2)c1ccc(S(=O)(=O)N2CCCC2)cc1 9254541 HACIZPAFCQVIAN-UHFFFAOYSA-N 433.551 3.607 0 40 IHAB Cc1nc(SCC(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)c2c(C)c(C)sc2n1 9513198 FOSKRTRHZLKULB-UHFFFAOYSA-N 439.566 3.604 0 40 IHAB O=C(CSc1nc2c(c(=O)n1CCc1ccccc1)SCC2)OCc1ccccc1 9602704 PEVSSWLUNKIUSO-UHFFFAOYSA-N 438.574 3.970 0 40 IHAB COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccccc3C(C)=O)c2)cc1 9632419 JOWGERWOHDHAEU-UHFFFAOYSA-N 438.505 3.975 0 40 IHAB COc1cc(CS(=O)(=O)c2nc3ccccc3n2CCN2CCCCC2)cc(OC)c1 9707445 SUHFCGTZIOAWMI-UHFFFAOYSA-N 443.569 3.513 0 40 IHAB C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1 9765558 DQLIKKANESXBIC-IAGOWNOFSA-N 433.533 3.658 0 40 IHAB C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 9765560 DQLIKKANESXBIC-IRXDYDNUSA-N 433.533 3.658 0 40 IHAB CCN(CC)C(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1 9845885 DBYGDCAQGFJRFW-UHFFFAOYSA-N 439.375 3.508 0 40 IHAB CCOC(=O)[C@]1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCCN(C(=O)c2ccco2)C1 12156754 QQIVZZFJNHHPPN-JPYJTQIMSA-N 428.460 3.788 0 40 IHAB Cc1c(C(=O)NC[C@H]2CCCO2)nnn1-c1ccc2noc(-c3ccc(Cl)cc3)c2c1 12274499 VSGUSOYWWUKFFV-QGZVFWFLSA-N 437.887 3.946 0 40 IHAB Cc1cc(=O)c(C(=O)N(C)CCOc2ccc(Cl)cc2)nn1-c1ccc(Cl)cc1 12855734 CZIBMWNIAJTSSF-UHFFFAOYSA-N 432.307 3.999 0 40 IHAB CC(=O)N1CCCc2cc(S(=O)(=O)N(C)Cc3ccccc3Br)ccc21 12899648 MUMOEAUWBZRNRP-UHFFFAOYSA-N 437.359 3.569 0 40 IHAB CC1=NS(=O)(=O)NC(C)=C1CCC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 12949912 DRGYDRADSNTZNE-NRFANRHFSA-N 429.567 3.585 0 40 IHAB O=C(NCc1ccccc1F)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCC1 13039203 KDERFQCHQQSTTR-UHFFFAOYSA-N 445.560 3.531 0 40 IHAB Cc1nc2c3ccccc3nc(S[C@H](C)C(=O)Nc3ccc(N4CCOCC4)cc3)n2n1 13229164 HRHNXHQTZCFHDN-OAHLLOKOSA-N 448.552 3.542 0 40 IHAB COc1ccc2[nH]cc(CCNC(=O)COc3cc4oc(=O)cc(C)c4cc3Cl)c2c1 13592871 JTDAEIAXRCXJBB-UHFFFAOYSA-N 440.883 3.982 0 40 IHAB CC(C)NS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 15595378 KBEOALSGMZYBTF-HXUWFJFHSA-N 444.553 3.512 0 40 IHAB O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)N1c2ccccc2OC[C@H]1c1ccccc1 16278457 ZIKPTAFFKNDJRP-FQEVSTJZSA-N 431.423 3.809 0 40 IHAB CC(=O)Nc1ccc(S(=O)(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)cc1 18940609 GGIFOXLLGWFQOX-UHFFFAOYSA-N 444.534 3.873 0 40 IHAB COc1ccc(-c2cnc3c(c2)CN(C(=O)c2ccc4c(c2)OCCO4)CC3)cc1OC 19561540 ANRRSTNPCSURLH-UHFFFAOYSA-N 432.476 3.736 0 40 IHAB COc1ccc(-c2cc3nc([C@@H](C)NC(=O)C4(c5ccc(OC)cc5)CC4)nn3cn2)cc1 19575506 TYTJMOGCTNBJQM-MRXNPFEDSA-N 443.507 3.718 0 40 IHAB CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CCCN(Cc3ccccc3F)C2)n1 19694680 ZAWDKBXCKRENPY-FQEVSTJZSA-N 433.531 3.827 0 40 IHAB CN(C)C(=O)c1sc2ccccc2c1[C@H]1CN(C(=O)Cc2ccccc2F)CCO1 19697729 YLXKMVZEKBSTBD-GOSISDBHSA-N 426.513 3.885 0 40 IHAB CNC(=O)c1sc2ncccc2c1[C@H]1CN(CCCOc2ccc(F)cc2)CCO1 19702907 DECACTWNFGFZAN-GOSISDBHSA-N 429.517 3.637 0 40 IHAB CCc1cccc(C)c1NC(=O)C1=C(C)c2cc(OC)c(OC)cc2N(C)S1(=O)=O 20063976 XTHKHHCQLWLXJU-UHFFFAOYSA-N 430.526 3.724 0 40 IHAB CCOC(=O)c1cc(NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)ccc1Cl 20111830 HHDZYVWHUXBDEQ-UHFFFAOYSA-N 445.324 3.575 0 40 IHAB CCOC(=O)CNC(=O)[C@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(C)C 20116200 ZFQVVPCSPAYJIL-DHUDBDOYSA-N 440.584 3.588 0 40 IHAB CCOc1ccc([C@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3C)CC2)cc1 20455352 ZWJIQWMIPHYGNZ-IBGZPJMESA-N 444.597 3.813 0 40 IHAB COc1ccc(-c2noc(CN3CCN(C(=O)/C=C/c4ccc(C)cc4C)CC3)n2)cc1 23057893 MWISUWDNODAWNQ-DHZHZOJOSA-N 432.524 3.720 0 40 IHAB COc1ccc(Cl)cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 24610032 IXDSRDIDKSVJNP-UHFFFAOYSA-N 440.924 3.668 0 40 IHAB CC(C)(C)SCCNC(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 24610516 ZUMIOIBVERTOAG-UHFFFAOYSA-N 433.039 3.530 0 40 IHAB COc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)cc1Cl 24613030 MURKRMNXLQIDHQ-UHFFFAOYSA-N 440.924 3.668 0 40 IHAB Cc1nc(NC(=O)c2ccc(Br)cc2F)sc1-c1nnc(S)n1C 24778110 DQDXQUBSVSGZSK-UHFFFAOYSA-N 428.312 3.690 0 40 IHAB Cc1cc(NC(=O)c2n[nH]c3ccccc23)ccc1NC(=O)c1cccc(S(C)(=O)=O)c1 26614259 CTPHOYFRDRRXOM-UHFFFAOYSA-N 448.504 3.779 0 40 IHAB CCN(Cc1ccc(OC)c(F)c1)C(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 27391763 ASBHNALJEBRDMJ-UHFFFAOYSA-N 446.500 3.568 0 40 IHAB CC(C)Cn1c(SCc2noc(-c3ccc(Cl)cc3)n2)nnc1N1CCOCC1 28189601 KCGAGOFRTJVQIU-UHFFFAOYSA-N 434.953 3.766 0 40 IHAB O=C(Nc1cccc(S(=O)(=O)N2CCc3sccc3C2)c1)c1ccc2c(c1)CCO2 29137291 YZWXCXWYIKPOIL-UHFFFAOYSA-N 440.546 3.682 0 40 IHAB CCCN(C(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 32743487 AFXRVXBMXBRYLQ-AWEZNQCLSA-N 449.882 3.584 0 40 IHAB COc1ccc([C@@H]2CCCN2Cc2nnc(C(=O)NCc3ccc(F)cc3)s2)cc1 32778007 ADLYHNORWBBOFT-IBGZPJMESA-N 426.517 3.953 0 40 IHAB COc1cccc(N2CCN(S(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)CC2)c1 33047762 KDVGBVKVYGLMFO-UHFFFAOYSA-N 434.867 3.878 0 40 IHAB COc1cc(OC)cc(C(=O)Nc2ccc(C)cc2OCc2cc(=O)n3oc(C)cc3n2)c1 35378682 SLHIGVBPDOTBNN-UHFFFAOYSA-N 449.463 3.753 0 40 IHAB O=C(CCSc1ccc(S(=O)(=O)N2CCCCCC2)cn1)NC1CCCCC1 36398096 IEVLWXPFLRUPMQ-UHFFFAOYSA-N 425.620 3.577 0 40 IHAB Cc1ccc(C)c(-c2nn(CN(C)Cc3ccc(C(N)=O)cc3)c(=O)c3ccccc23)c1 40061166 KFUDWFHMAKSAQB-UHFFFAOYSA-N 426.520 3.869 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccccc2-n2ccnc2)cc1 44899816 QXENZKVZUTUCHD-UHFFFAOYSA-N 446.532 3.912 0 40 IHAB COc1ccc([C@H](CC(C)C)NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3ccccc3O2)cc1 44937403 WQONSRDSKBVZLE-UGKGYDQZSA-N 446.569 3.516 0 40 IHAB Cc1ccc(-c2noc(CN3N=N[C@H]4C(=O)N(c5cccc(Cl)c5)C(=O)[C@@H]43)n2)cc1C 49002756 VNVKFMKQYAKQTH-QZTJIDSGSA-N 436.859 3.500 0 40 IHAB O=C(NC1CCN(C(=O)NC2CCCCC2)CC1)c1cc(F)ccc1Br 58018792 XWMANTJNHIINEN-UHFFFAOYSA-N 426.330 3.825 0 40 IHAB CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)Cc2csc(NC(=O)c3cccs3)n2)C1 58246512 BUXSEEQTUKJSOJ-CABCVRRESA-N 448.614 3.543 0 40 IHAB COc1c(C)cnc(CN(C)C(=O)Nc2cc3c(cc2Br)OCCO3)c1C 58608795 SKKWZZFAEXTYKF-UHFFFAOYSA-N 436.306 3.905 0 40 IHAB Cc1ccc(N2CCN(C[C@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@H](O)[C@H]34)CC2)c(C)c1 61997567 SVKLPRDZURGQKV-QMZMJUJGSA-N 438.612 3.710 0 40 IHAB O=C(Nc1cccc(Cl)c1)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 64985269 ZQWAGWUDALMUPW-FQEVSTJZSA-N 428.897 3.935 0 40 IHAB COc1ccc(-c2nc(C(=O)N3CCNC(=O)C[C@H]3c3ccccc3)cs2)cc1OC 65489315 CNVHTFFRIXRBTE-SFHVURJKSA-N 437.521 3.531 0 40 IHAB Cc1ccn(CCC(=O)N2CC[C@H](c3cc(CCOc4ccc(Cl)cc4)[nH]n3)C2)n1 72371447 GAQQKOSXRNMKQG-KRWDZBQOSA-N 427.936 3.596 0 40 IHAB Cc1ccc2c(c1)cc(C(=O)N1CCCC[C@@H]1c1nc3c(c(=O)[nH]1)CN(C(C)C)CC3)n2C 72399052 NDFQXKWYNZYGCC-JOCHJYFZSA-N 447.583 3.704 0 40 IHAB COc1cc(C(=O)N[C@@H](C)c2ccc([S@](C)=O)cc2)cc(OC)c1Br 89904886 VBPGHEUJHAOUGL-JPQMIFPKSA-N 426.332 3.695 0 40 IHAB CCc1c(C)nc2n(c1=O)C[C@@H](C(=O)NCc1ccc(OCc3ccccc3)cc1)CS2 90609860 XRUSYTSMXPRUCV-HXUWFJFHSA-N 449.576 3.731 0 40 IHAB CCOc1ccc(CN2CCC(c3cc4c(ncn4C)c(N4CCOCC4)n3)CC2)cc1 96155597 XBSFKRLCUNBLRA-UHFFFAOYSA-N 435.572 3.583 0 40 IHAB COc1cc2c(cc1OC)-c1c(c(C(=O)NCc3ccncc3)nn1-c1ccc(F)cc1)C2 96193766 WSQNKYKLMOSVON-UHFFFAOYSA-N 444.466 3.925 0 40 IHAB CCOc1cc(/C=C2/N=C(c3ccccc3Cl)OC2=O)ccc1OCC(=O)N(C)C 97987504 VWPYDNIYAYXZGR-GZTJUZNOSA-N 428.872 3.550 0 40 IHAB O=C(NC1CCCCC1)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CCC2 102339925 PASIKBWVDYKATA-LUVWLHFXSA-N 428.554 3.761 0 40 IHAB COc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3ccc(OC)c(Cl)c3)CC2)c1 107613170 BGYKFHWPVPMTJR-UHFFFAOYSA-N 432.904 3.857 0 40 IHAB COc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)cc1 111882551 VZLOVUYLZRPHQX-GFCCVEGCSA-N 437.279 3.537 0 40 IHAB COc1cc(OC)c(CCC(=O)NC[C@H]2CCCN2c2nc3ccccc3o2)c(OC)c1 206773123 OOWSCDUINMJTRK-MRXNPFEDSA-N 439.512 3.571 0 40 IHAB Cc1cc(O[C@H]2CCN(S(=O)(=O)c3ccc(-c4ccc(F)cc4)cc3)C2)cc(=O)o1 206969472 INBBVKNXLKIYLB-IBGZPJMESA-N 429.469 3.596 0 40 IHAB CCOc1ccccc1N(CCCC(=O)NCCCc1ccc(C)cc1)S(C)(=O)=O 222614717 CCMWHEWVEFVZCP-UHFFFAOYSA-N 432.586 3.689 0 40 IHAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)COc1cc(OC)cc(OC)c1 223122808 HXZQRLYOIHTVDD-IAGOWNOFSA-N 446.519 3.554 0 40 IHAB Cc1ccc(OCCNC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)cc1C 223864944 MEXBIGVVJGGZNQ-UHFFFAOYSA-N 438.549 3.937 0 40 IHAB COCc1cccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)c1 223900673 MLRYOXILWNKPCH-UHFFFAOYSA-N 428.485 3.806 0 40 IHAB CN(CCNC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(F)cc2)c1)c1ccccc1 224177742 ZDBJBBPWTPLXEL-UHFFFAOYSA-N 441.528 3.517 0 40 IHAB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(C)c2C)cc1 225211865 VTJRKWUVVVKDMA-GOTSBHOMSA-N 449.580 3.799 0 40 IHAB O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 247753115 VPYNFECTYSFPSG-ZUEVXXBESA-N 445.412 3.840 0 40 IHAB CCN1CCN(C(=O)c2cccnc2O)C[C@@H](Cc2ccccc2-c2ccc(C)cc2)C1=O 257203490 AQHYVNYJSIYKSO-JOCHJYFZSA-N 443.547 3.926 0 40 IHAB Cc1nc2cc([C@H]3CCN(Cc4cccnc4)C3)nn2c(C)c1CCC(=O)N1CCCCC1 257334593 YGPKSMSPIOOIOW-QFIPXVFZSA-N 446.599 3.676 0 40 IHAB Cc1ccc(-n2c(SCC(=O)NC[C@H]3CCCO3)nnc2-c2ccccc2O)c(C)c1 408600075 SYISLSWFFFXAMD-QGZVFWFLSA-N 438.553 3.644 0 40 IHAB C[C@@H]1CC[C@H]2C(=O)N(c3cccc(C(=O)OCC(=O)Nc4ccc(F)cc4)c3)C(=O)[C@H]2C1 408654213 AUNBUEHEWYKOPA-XMCHAPAWSA-N 438.455 3.547 0 40 IHAB COc1ccc(OC)c(NC(=O)c2ccccc2N2C(=O)[C@H]3[C@H]4C=C(C)[C@@H](C4)[C@H]3C2=O)c1 408673748 UUTNWCFUAJDMSU-DCZDKMHXSA-N 432.476 3.658 0 40 IHAB COc1cc(/C=C2\SC(=O)N(CC(=O)N(C(C)C)C(C)C)C2=O)cc(Cl)c1O 409213017 RWTNFZGGHUYBML-NVNXTCNLSA-N 426.922 3.736 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCCOC(C)C)c2cccc(C)c2C)cc1 409251613 PZAWSSINIFXZNE-UHFFFAOYSA-N 432.586 3.738 0 40 IHAB O=C(Nc1cccc2ccncc12)[C@H]1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]43)[C@H]12 579771192 ZINPFWWQWKTLPY-RAXRAROZSA-N 449.510 3.653 0 40 IHAB Cc1cc(Nc2nc(C)cc(C)n2)cc([C@@H]2CCCN(C(=O)/C=C/c3ccnn3C)C2)n1 585293143 YFRSXKLQXSLICW-IHHMQQGQSA-N 431.544 3.693 0 40 IHAB COc1ccc(Nc2nc(C(=O)N[C@H](CN3CCCC3=O)c3ccccc3)cs2)cc1 607046943 GNCHVBHPPSTOLL-LJQANCHMSA-N 436.537 3.989 0 40 IHAB C[C@]1(NC(=O)[C@@H]2CCC(=O)c3ccccc32)CCN(C(=O)[C@@H]2CCC(=O)c3ccccc32)C1 647728426 CMJQZLWGKBPFQH-LOYIFYEOSA-N 444.531 3.614 0 40 IHAB COc1cc2c(c3cc(C[C@H](C)O)c(=O)oc13)Cc1c(C(=O)O)cc(Cl)c(C=O)c1O2 1772591414 WGJRNKYAIQWLIR-VIFPVBQESA-N 444.823 3.586 0 40 IHAB O=C(Nc1ccc(-n2ccnc2)cc1)c1nnn(-c2ccccc2F)c1-c1ccncc1 1775969761 KFYHBGDSEAIRRQ-UHFFFAOYSA-N 425.427 3.906 0 40 IHAB CN(CCc1ccccc1)c1ncc(C(=O)O)c(CCCCNC(=O)OC(C)(C)C)n1 2037873245 FBWRKJMLKQKXCI-UHFFFAOYSA-N 428.533 3.701 0 40 IHAB O=C(C[C@]1(O)C(=O)Nc2ccc(Br)cc21)c1ccc(Br)cc1 639284 ZOUHQPKZAMRILQ-MRXNPFEDSA-N 425.076 3.624 0 40 IHAB Cc1cccc(CN2CCc3c(OCC(=O)Nc4ccc5c(c4)OCO5)cccc3C2=O)c1 2716551 LHNOTZZPLAPXSQ-UHFFFAOYSA-N 444.487 3.940 0 40 IHAB COc1ccccc1NC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1 3534016 SRYFJOMVAXRWPZ-HOTGVXAUSA-N 439.537 3.703 0 40 IHAB C[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 4081976 VQJMILKSUUHGTB-TZPNTHKFSA-N 425.525 3.593 0 40 IHAB biogenic C[C@H]1C[C@@H](C)CN(C(=O)Cn2c(SCC(=O)N3CCCCC3)nc3ccccc32)C1 4859311 NGRVPLFFOWJBDO-HDICACEKSA-N 428.602 3.645 0 40 IHAB CCOc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCOC)cc1 6601145 VATKTHMTJQUNPV-UHFFFAOYSA-N 427.526 3.563 0 40 IHAB CCCNC(=O)c1ccccc1N1C(=O)N2CCc3c([nH]c4ccc(OC)cc34)[C@@]2(C)C1=O 8918177 AYNSWOBUPFONJJ-VWLOTQADSA-N 446.507 3.556 0 40 IHAB biogenic O=C(COc1ccc(Nc2ccccc2)cc1)NCC(=O)Nc1ccc(F)c(F)c1F 9130872 YQEUYSMLBOEJGT-UHFFFAOYSA-N 429.398 3.981 0 40 IHAB Cc1cc(C)cc(N2CCCn3c2nc2c3c(=O)n(Cc3ccccc3Cl)c(=O)n2C)c1 9210613 SNEJLCCJSSLWOB-UHFFFAOYSA-N 449.942 3.757 0 40 IHAB O=C(COc1ccc2c3c(c(=O)oc2c1)CCCC3)N1CCN(c2ccc(F)cc2)CC1 9433821 TVJRKVOAPRVSRX-UHFFFAOYSA-N 436.483 3.539 0 40 IHAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)Cn1c(Cc2ccccc2)nc2ccccc21 9595022 ZBWREEZZZVMOHI-UHFFFAOYSA-N 430.483 3.863 0 40 IHAB CCS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3cccc(Br)c3)cc2)nn1 9627182 KTCYOWQLVJMYLN-UHFFFAOYSA-N 446.326 3.952 0 40 IHAB O=C(Oc1cc(Cl)ccc1Cl)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 9643260 AVBTUJFTKVDHTP-UHFFFAOYSA-N 439.320 3.760 0 40 IHAB O=C(C1CC1)N1CCCc2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc21 9708656 VXYICLAUHXRNRV-UHFFFAOYSA-N 435.343 3.939 0 40 IHAB Cc1cc(C(=O)Cn2nnc(-c3ccc(Br)cc3)n2)c(C)n1C[C@@H]1CCCO1 9724732 YUPKRJBRSLOYNB-KRWDZBQOSA-N 444.333 3.583 0 40 IHAB Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1 10037359 IFZMCIGHNYLFKO-UHFFFAOYSA-N 439.932 3.849 0 40 IHAB COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN(C)C)[C@@H]3c1ccc(OC(C)C)cc1 10233190 LYCPCYIRSRPVEB-JOCHJYFZSA-N 436.508 3.696 0 40 IHAB O=C(CCCc1nc2ccccc2s1)N1CCC(NS(=O)(=O)c2ccccc2)CC1 10375407 HQEVGBVTRBIUSA-UHFFFAOYSA-N 443.594 3.589 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C)c2)c2ccc(F)cc2)cc1 10447724 VYUGWNUWGSGSIK-UHFFFAOYSA-N 426.513 3.954 0 40 IHAB Cc1ccc(C)c(N([C@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)S(C)(=O)=O)c1 10544312 YCJNNUJORBEKAJ-HXUWFJFHSA-N 428.598 3.939 0 40 IHAB C[C@H]1CN(C(=O)[C@@H](C)SCc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)CCO1 11497277 AORWVYUTWCGTFF-UONOGXRCSA-N 429.567 3.521 0 40 IHAB COc1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(C)C(=O)[C@@H]1S(=O)(=O)c1ccc(C(C)C)cc1 12438088 SLJZKUWMQWWDMC-KJXAQDMKSA-N 429.538 3.715 0 40 IHAB CCc1ccc(C(=O)OCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1 12540541 CEPSNXNYUBUMBI-UHFFFAOYSA-N 444.553 3.528 0 40 IHAB O=C(Nc1ccccc1N1CCCCC1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 12557323 BRKHYTPVVOGHLQ-KRWDZBQOSA-N 433.599 3.778 0 40 IHAB Cc1ccc(C)c(-n2nc(C)cc2NC(=O)CN(C)CC(=O)Nc2cccc(C)c2C)c1 12741876 QRPRCFUMZWAXJH-UHFFFAOYSA-N 433.556 3.923 0 40 IHAB CN1CCCN(C(=O)CCc2nc(-c3ccc(F)cc3)no2)c2nc3ccccc3nc21 12759374 BMVVBNUQLLPMPO-UHFFFAOYSA-N 432.459 3.625 0 40 IHAB C[C@H](NC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2C)c1ccc(Cl)c(Cl)c1 12771094 APYQSCUMYAIFRY-LAJNKCICSA-N 432.307 3.780 0 40 IHAB Cc1sc2nc(-c3cccs3)nc(Sc3nnc(CCC(N)=O)n3C)c2c1C 12799715 CPGBFQMZIMJFKM-UHFFFAOYSA-N 430.584 3.734 0 40 IHAB NC(=O)CCn1c(-c2cccs2)nn(CN2CCC(Cc3ccccc3)CC2)c1=S 12882106 MNWAUSXKSKNUSA-UHFFFAOYSA-N 441.626 3.930 0 40 IHAB O=C(Nc1ccccc1Br)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 12980082 CPBIVUDTJBOJCK-LBPRGKRZSA-N 429.361 3.550 0 40 IHAB C[C@@H](NCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc2ccccc2c1 12995982 HUGGWOZMRPIHLO-LJQANCHMSA-N 431.536 3.564 0 40 IHAB Cc1csc(NC(=O)CCC(=O)N(CC(=O)NC2CCCC2)c2ccc(C)c(C)c2)n1 13505660 CRRFPLBSFYLALH-UHFFFAOYSA-N 442.585 3.879 0 40 IHAB O=C(NC12CC3CC(CC(C3)C1)C2)[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2)C1 13563347 IYXOKSHTMUJZAQ-DQYWGJDHSA-N 437.005 3.826 0 40 IHAB Cc1cc(OCC(=O)NCCc2c[nH]c3ccc(F)cc23)c2c3c(c(=O)oc2c1)CCC3 13607663 DOPRUFJTNOESPN-UHFFFAOYSA-N 434.467 3.948 0 40 IHAB COc1ccc(NC(=O)c2nnc3c(-c4ccc(OC)c(OC)c4)c(C)nn3c2C)cc1 13635873 JYSNFBSJLILVOZ-UHFFFAOYSA-N 433.468 3.686 0 40 IHAB O=c1ccc(-c2cccs2)nn1CCCNS(=O)(=O)c1ccc(Cl)c(Cl)c1 13799967 QWVDQZXUZBTDIY-UHFFFAOYSA-N 444.365 3.647 0 40 IHAB CNc1nnc(S[C@H](C)C(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)s1 14069793 YFABAAGLUDFDFS-GFCCVEGCSA-N 443.554 3.960 0 40 IHAB COc1ccc(Cn2nnnc2SC[C@@H](O)COc2c(Cl)cccc2Cl)cc1 14238348 DPINUIHTJIANJN-ZDUSSCGKSA-N 441.340 3.569 0 40 IHAB Cc1cccc(S(=O)(=O)N(CC(=O)N2CCC(c3ccccc3)=N2)c2ccccc2)c1 14370125 KMEOQILAVVRDPT-UHFFFAOYSA-N 433.533 3.827 0 40 IHAB CN1CCN(c2ccc(NC(=O)c3ccc(-c4nnc(-c5ccccc5)o4)cc3)cn2)CC1 14521901 HTPQESZZYPJCKU-UHFFFAOYSA-N 440.507 3.803 0 40 IHAB O=C(CNC(=O)c1ccc(C(F)(F)F)cc1)OCc1nc2ccccc2n1C(F)F 14902498 UUZNOJZXHRJHNQ-UHFFFAOYSA-N 427.329 3.923 0 40 IHAB C[C@@H](OC(=O)CNC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CCCc2ccccc21 15223447 OYOFDPDPDUNBEF-BFUOFWGJSA-N 449.334 3.849 0 40 IHAB O=C(C(=O)N1N=C(c2ccccc2)SC=C1O)N1N=C(c2ccccc2)SC=C1O 16758418 WRRZKBRRPVTSSQ-UHFFFAOYSA-N 438.490 3.575 0 40 IHAB COC(=O)c1cc(C(C)C)nc2c1c(-c1ccc(C)cc1)nn2[C@@H]1CCS(=O)(=O)C1 16850676 CJRIZLWUPMXKHX-MRXNPFEDSA-N 427.526 3.676 0 40 IHAB COc1ccc2cc(/C=C(\NC(=O)c3ccccc3)C(=O)N3CCCCCC3)c(=O)[nH]c2c1 17042595 UHZUZEGSQIQXTD-KQWNVCNZSA-N 445.519 3.710 0 40 IHAB CCCn1nnnc1NC(=S)NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 17094281 IOBLAODJDKLOCP-UHFFFAOYSA-N 425.301 3.777 0 40 IHAB Cc1ccccc1OCCC(=O)N1CCNC(=O)[C@@H](Cc2ccccc2-c2ccncc2)C1 19237385 XCOKYJQJRATAEA-QHCPKHFHSA-N 443.547 3.643 0 40 IHAB COc1ccc(-c2ccc(C[C@@H]3CN(C(=O)c4cc(C(C)C)n[nH]4)CCNC3=O)cc2)cc1 19451859 AGSMTQRDIISSMZ-OAQYLSRUSA-N 446.551 3.640 0 40 IHAB C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc2c(c1)CCCC2 20016019 NIDOUJYZCTXDSV-GOSISDBHSA-N 426.582 3.844 0 40 IHAB CCOC(=O)c1csc(NC(=O)[C@@H]2CCCN(c3ccc(-c4ccccc4)nn3)C2)n1 23142610 GBVAGEYSMVXWBU-MRXNPFEDSA-N 437.525 3.632 0 40 IHAB Cc1nn(Cc2ccc(C(=O)NCCc3ccc(O)cc3)cc2)c(C)c1Br 27970059 GOIIALUTQPMYBI-UHFFFAOYSA-N 428.330 3.989 0 40 IHAB Cc1nc(NC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)sc1-c1nccn1C(F)F 29195407 NXVYEKDWNDKIEL-GFCCVEGCSA-N 435.456 3.794 0 40 IHAB O=C(NC[C@@H]1CCCCN1Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)Nc1ccccc1 30590106 VQNFTORSJDYZTR-INIZCTEOSA-N 437.569 3.650 0 40 IHAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)[C@@H]1CCCN(C(=O)c2ccoc2)C1 30618302 LFBVYBRIIKBTCZ-GOSISDBHSA-N 433.512 3.755 0 40 IHAB CC[C@](C)(CNC(=O)c1c(C)nn(Cc2ccccc2Cl)c1Cl)N1CCOCC1 31930918 MUZXTUNRUXZFAF-OAQYLSRUSA-N 439.387 3.777 0 40 IHAB O=C(c1cccc(O)c1)N1N=C(c2ccc(Br)cc2)C[C@@]1(O)C(F)(F)F 32101260 ZMNSNFJIQWLWKB-MRXNPFEDSA-N 429.192 3.656 0 40 IHAB CCCCCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(OC)c(Cl)c1 33731921 AGUQYGAIZZACLV-UHFFFAOYSA-N 430.998 3.978 0 40 IHAB CC(C)Cn1c(=O)c2sccc2n2c(CCC(=O)Nc3cccc(Cl)c3)nnc12 35528504 YGVZLUNDIQYZGR-UHFFFAOYSA-N 429.933 3.986 0 40 IHAB CCOc1ccc(NC(=O)NCCNC(=O)c2ccc(NC(=O)C3CCCC3)cc2)cc1 35595047 HMQMHGOYQWUMHV-UHFFFAOYSA-N 438.528 3.766 0 40 IHAB CN(C(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1)[C@@H]1CCS(=O)(=O)C1 36393869 IWDPKASVHHJTBE-OAHLLOKOSA-N 432.592 3.727 0 40 IHAB O=C(CCS(=O)(=O)c1ccccc1)Nc1nnc(-c2cc(Cl)sc2Cl)o1 36646819 LDFZOLULELSWOX-UHFFFAOYSA-N 432.310 3.907 0 40 IHAB CCc1ccccc1NC(=O)Cn1nc2cc(C)nc(Nc3ccc(F)c(C)c3)n2c1=O 49410723 XSOLTQCHNHVKTA-UHFFFAOYSA-N 434.475 3.592 0 40 IHAB CCc1nnc2sc(-c3cccc(NC(=S)NC(=O)c4cccc(F)c4)c3)nn12 57316580 HVNVOJUXMHQAHA-UHFFFAOYSA-N 426.502 3.681 0 40 IHAB Cc1ccc(-c2noc(-c3cccn3CC(=O)N3CCN(Cc4ccccc4)CC3)n2)cc1 57486856 JRDCVKUYUQGYNS-UHFFFAOYSA-N 441.535 3.858 0 40 IHAB C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCN(c5cccc(Cl)c5)CC4)[C@H]3[C@H](O)[C@@]21C 61992823 HXHILYRRLVJUGI-KLRIDBMASA-N 445.003 3.747 0 40 IHAB Cc1ccc(NC(=O)Cn2nc3c4c5c(sc4ncn3c2=O)CCCC5)c(Cl)c1 64945695 SYSDSPXMVDSCCF-UHFFFAOYSA-N 427.917 3.585 0 40 IHAB Cc1ccc(C)c([C@@H]2NC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C3=C2C(=O)OC3)c1 67288608 LLFYEHDSOCRNSP-NRFANRHFSA-N 439.899 3.781 0 40 IHAB C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@]4(O)[C@@H](C[C@H]5[C@H]4C[C@H](O)[C@H]4C[C@H](O)CC[C@@]45C)[C@@H]3CN2C1 70664803 NQGYOUYEGZOZBN-RQCVYXEASA-N 431.661 3.678 0 40 IHAB biogenic O=C(NCc1ccc(F)c(Cl)c1)c1cn(-c2ccc(-c3nc(C4CC4)no3)cn2)cn1 71768280 QQJVRLAZVITQHR-UHFFFAOYSA-N 438.850 3.917 0 40 IHAB CCc1cc(CNC(=O)C2(Cc3cccc([C@H]4CCCN(C)C4)c3)CCOCC2)on1 72372234 VDHHLENWYNZURG-NRFANRHFSA-N 425.573 3.702 0 40 IHAB COc1ccc(-c2cc(-c3cccnc3)n(CCNC(=O)[C@H]3CCC[C@H](OC)C3)n2)cc1 72390438 MYNTVJXDICBLAQ-UGKGYDQZSA-N 434.540 3.942 0 40 IHAB CC(=O)c1ccc(CNC(=O)[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)nc1C 89536873 PKKFGVCUCBOADS-VBSWXYJSSA-N 425.573 3.566 0 40 IHAB COc1ccc(OC)c([C@H]2CC(c3cccc(Br)c3)=NN2S(C)(=O)=O)c1 95945202 WBCLMLNSIWMCRH-QGZVFWFLSA-N 439.331 3.577 0 40 IHAB Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CCC([C@@H](O)c2ccccc2)CC1 97159651 RFFBWMSLAVFXSL-FQEVSTJZSA-N 445.357 3.977 0 40 IHAB COc1ccc(Cl)cc1N([C@H](C)C(=O)N[C@@H](C)c1cc(C)ccc1C)S(C)(=O)=O 113941254 DTEPEKPVLVJTPO-JKSUJKDBSA-N 438.977 3.997 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc(F)c3)C2)cc1Cl 138951612 WUNWYLJFVXXTLP-CYBMUJFWSA-N 426.897 3.527 0 40 IHAB COc1ccc2c(c1)[C@H](NS(=O)(=O)c1ccc(N3CCCC3=O)c(C)c1)CC(C)(C)O2 219224965 RTQRBJZPFUYRNY-LJQANCHMSA-N 444.553 3.711 0 40 IHAB CC[C@@H](C(=O)Nc1ccc(Br)cc1)N(c1cccc(C)c1)S(C)(=O)=O 220495340 BNLRGYAOYOKMMN-KRWDZBQOSA-N 425.348 3.941 0 40 IHAB COc1ccccc1CNC(=O)CCCN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 222380798 HZOOCLNPXKZACN-UHFFFAOYSA-N 445.368 3.865 0 40 IHAB O=C(NCCCc1ccccc1)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 222618704 DFARLBAACABXQD-HXUWFJFHSA-N 434.989 3.631 0 40 IHAB COc1ccc(N(C)C(=O)COc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1 222674985 IUTHRQYHAFDUNB-UHFFFAOYSA-N 440.521 3.846 0 40 IHAB CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc2c(c1)OCO2 222773804 MXXSIBTXKDUEAY-CYBMUJFWSA-N 437.323 3.818 0 40 IHAB Cc1cccc(OCCNC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)c1 223824281 WSXUMQHGQZCYDZ-UHFFFAOYSA-N 438.549 3.770 0 40 IHAB Cc1ccc(C)c(OCCNC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)c1 224015032 ADXPOIJFIORLIG-UHFFFAOYSA-N 444.578 3.999 0 40 IHAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)N3CCc4ccccc43)cc2)cc1 224440743 FDMARMLRYXYEJM-UHFFFAOYSA-N 436.533 3.719 0 40 IHAB CCn1c(=O)sc2cc(S(=O)(=O)N[C@H]3CC(C)(C)Oc4cc(C)ccc43)ccc21 225697422 SLVXCFNUVSVJFT-INIZCTEOSA-N 432.567 3.972 0 40 IHAB CCOc1ncc([C@]2(O)CCC[C@H]3CN(Cc4ccc(F)c(F)c4)C[C@H]32)c(OCC)n1 253381019 CJBITCUMRHTKEM-PRCFCKQXSA-N 433.499 3.672 0 40 IHAB CC1(C)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2CN(C(=O)CCc3ccccc3)CCN21 253395198 BQWBVMJTAKBSSY-QFIPXVFZSA-N 439.987 3.720 0 40 IHAB biogenic,in-vitro C[C@H]1C[C@H](C)CN(CCCNC(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)C1 260566769 XNCIXAYIAGDCQC-PMACEKPBSA-N 443.613 3.610 0 40 IHAB O=C(C1CC=CC1)N1CCC2(CC1)Oc1ccccc1-c1c2cnn1CCN1CCCC1 306132603 LNQBQNVTEIZAPX-UHFFFAOYSA-N 432.568 3.822 0 40 IHAB CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 408985851 BGJUZCPNOUICFC-HXUWFJFHSA-N 433.464 3.879 0 40 IHAB CCOc1ccc(Cc2cc(C(=O)[C@@H]3O[C@@H]4OC(C)(C)O[C@@H]4[C@H]3O)ccc2Cl)cc1 504093956 TUBVOYXRJBKZBN-FNAHDJPLSA-N 432.900 3.750 0 40 IHAB Cc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H](c2ccccc2Cl)S(=O)(=O)CC1 575414849 LYKRXJYRYFRZEU-KRWDZBQOSA-N 448.393 3.852 0 40 IHAB COCCOC(=O)c1c(N)n(-c2ccc(OC)c(Cl)c2)c2nc3ccccc3nc12 2354279 ZUJDUTSTLFKFOD-UHFFFAOYSA-N 426.860 3.621 0 40 IHAB NC(=O)CSc1nnc2c3c4c(sc3nc(SCc3ccccc3)n12)CCC4 2394179 DMKHXWRISIOBRM-UHFFFAOYSA-N 427.580 3.697 0 40 IHAB CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NCCc3ccc(F)cc3)c2)cc1 2647101 BENJQOGFJGGKHB-UHFFFAOYSA-N 442.512 3.998 0 40 IHAB CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(F)cc3)o2)cc1 2723442 TZYRFEKYKOAXTF-UHFFFAOYSA-N 432.477 3.549 0 40 IHAB CC[C@H](C)[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(=O)NC(C)C 3190315 OEYHHWCQMQUJJZ-HRAATJIYSA-N 425.529 3.617 0 40 IHAB O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCc1cccc(Cl)c1 3357992 WYVWZHYJHIVZCU-UHFFFAOYSA-N 432.904 3.991 0 40 IHAB CC(C)c1ccc(/C=C/C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)cc1 6239189 CUEWJDBDWGPDSJ-AWNIVKPZSA-N 427.570 3.544 0 40 IHAB CCOC(=O)[C@@H]1[C@@H](c2cccc(Oc3ccccc3)c2)NC(=O)N(C)[C@]1(O)C(F)(F)F 8433051 ZSZKOKPABFKBKF-SQGPQFPESA-N 438.402 3.605 0 40 IHAB Cc1cc(OCC(=O)N(Cc2sccc2C)[C@@H]2CCS(=O)(=O)C2)ccc1Cl 8612054 MLKSVAQKRKMBOB-OAHLLOKOSA-N 427.975 3.613 0 40 IHAB CCOc1ccc(NC(=O)c2nc(S(=O)(=O)Cc3ccccc3F)ncc2Cl)cc1 8613661 ROHSKRIMMZCYFM-UHFFFAOYSA-N 449.891 3.894 0 40 IHAB O=C(C1=NN(c2ccccc2)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12)c1ccccc1 8691522 NXTDRLQETVSXKY-FPOVZHCZSA-N 429.863 3.957 0 40 IHAB COc1ccccc1N(C[C@@H](O)CN1[C@H](C)CCC[C@H]1C)S(=O)(=O)c1ccccc1 8754142 KEEHFUFQYWCYRH-AQNXPRMDSA-N 432.586 3.514 0 40 IHAB O=C(Nc1nc(-c2ccc(F)cc2)cs1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 8861727 BICQLRQIBCPQQH-CQSZACIVSA-N 439.468 3.712 0 40 IHAB Cc1ccc2c(=O)cc(C(=O)N(Cc3ccc(Cl)cc3)[C@H]3CCS(=O)(=O)C3)oc2c1 8915161 ZYPKZLNSPKRHGS-KRWDZBQOSA-N 445.924 3.584 0 40 IHAB O=C(CN1CCc2ccccc21)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl 9208543 DCWINPLYACWKFM-UHFFFAOYSA-N 447.988 3.906 0 40 IHAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)Cc1c(C)nc2ccccc2c1C 9244512 YEUSCDVBMZVDJB-UHFFFAOYSA-N 433.508 3.653 0 40 IHAB COc1ccc(C2=NC3(CCN(S(=O)(=O)c4ccc(F)cc4)CC3)N=C2SC)cc1 9300129 WCVMOCDMUBIORZ-UHFFFAOYSA-N 447.557 3.580 0 40 IHAB CN(C(=O)CSc1ncnc2sccc12)c1ccccc1C(=O)NCc1ccco1 9364972 GIOZHMWCMJGRFA-UHFFFAOYSA-N 438.534 3.969 0 40 IHAB Cc1ccc(Cn2nc(C)c3cc(C(=O)N4CCN(c5ncccn5)CC4)sc32)cc1 9714061 WYHQWJKOWOBIOR-UHFFFAOYSA-N 432.553 3.515 0 40 IHAB O=C(CNc1ccc(S(=O)(=O)N2CCCCCC2)cc1)Nc1ccc2c(c1)CCC2 9744247 JNEUSBGAOGZRDT-UHFFFAOYSA-N 427.570 3.791 0 40 IHAB C[C@@H](NC(=O)c1ccccc1NC(=O)CN1C(=O)CC2(CCCCC2)C1=O)c1ccccc1 9780366 LXOQCGFRPNNSNB-GOSISDBHSA-N 447.535 3.826 0 40 IHAB CC[C@H]1CCc2sc(C(=O)N3CCC(NS(=O)(=O)c4cccs4)CC3)cc2C1 9853607 SMDRQVNNXLHGLG-AWEZNQCLSA-N 438.640 3.908 0 40 IHAB O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1cccc(S(=O)(=O)N2CCCC2)c1 9950701 HTFUQLDYMZONGX-UHFFFAOYSA-N 445.541 3.910 0 40 IHAB Cc1occc1-c1nnc(S[C@@H]2CCCCN(C(=O)c3ccc(Cl)cc3)C2=O)n1N 10469608 NHNIZBACTZKXLV-MRXNPFEDSA-N 445.932 3.527 0 40 IHAB COc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2C(=O)OC(C)C)[nH]1 10475533 VATZBXWDAFCZRH-UHFFFAOYSA-N 426.498 3.776 0 40 IHAB CCOc1ccccc1N(CC(=O)N1CCC[C@@H](C)C1)S(=O)(=O)c1ccc(C)cc1 10541255 CLAIQXZVJPPLDC-LJQANCHMSA-N 430.570 3.848 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)OCCOc2ccc(F)cc2)c1 11440050 BKRYXHREXLRZPE-UHFFFAOYSA-N 429.897 3.745 0 40 IHAB Cc1oc(C(=O)N2C[C@H]3CC[C@]4(NC(=O)c5ccccc5N4)[C@H]3C2)cc1CN1CCCCC1 12086073 NWFGBPZNEAVMJX-JDITYXQVSA-N 448.567 3.608 0 40 IHAB Cc1cc(I)ccc1NC(=O)CNc1ccccc1N1CCCC1=O 12555466 PCRHASYLIWFZHP-UHFFFAOYSA-N 449.292 3.777 0 40 IHAB COc1ccccc1N(CC(=O)N1CCCC[C@H]1C)S(=O)(=O)c1ccc(Cl)cc1 12642867 RBUGVSWPSGPPPQ-MRXNPFEDSA-N 436.961 3.945 0 40 IHAB CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)cc1 12870981 LHNAGBHJANPDCO-UHFFFAOYSA-N 444.944 3.981 0 40 IHAB CC1CCN(C(=O)Cn2c(SCC(=O)N3CCc4ccccc43)nc3ccccc32)CC1 12882448 FJMZKNJJLJAACR-UHFFFAOYSA-N 448.592 3.976 0 40 IHAB O=C(Cc1cnn(-c2ccccc2)c1)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 12884259 YIVUMRVLXDAZKX-UHFFFAOYSA-N 449.514 3.880 0 40 IHAB CCOc1ccccc1OCC(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 13007211 ZEIYQBQPIKTPDY-UHFFFAOYSA-N 432.542 3.668 0 40 IHAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 13039083 SVKJHJYETPLDDP-MRXNPFEDSA-N 446.503 3.750 0 40 IHAB COc1ccc(OCCN2CCN(c3nc(C(F)(F)F)nc4ccccc34)CC2)cc1 13163399 ZHQDVAWERWOELY-UHFFFAOYSA-N 432.446 3.858 0 40 IHAB Cc1ccc(Cn2cc(/C=C/C(=O)N(C)[C@H]3CCS(=O)(=O)C3)c(-c3ccccc3)n2)cc1 13164245 BEDYKNDUOBEWCM-OTOIZHKDSA-N 449.576 3.566 0 40 IHAB Fc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCN(c3ccc(F)cc3)CC2)cc1 13504614 FMVUBNBBSSJCON-XMMPIXPASA-N 446.505 3.911 0 40 IHAB COCCCn1c(SCC(=O)Nc2cc(OC)ccc2OC)nnc1-c1ccoc1C 13512172 KJFDQLYBCPSMHC-UHFFFAOYSA-N 446.529 3.631 0 40 IHAB COc1ccc([C@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccccc2)n3C)cc1OC 13567468 SHABPUSVTVJILU-MRXNPFEDSA-N 437.521 3.564 0 40 IHAB Cc1ccc(NC(=O)CSC(=S)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1C 13572207 UDICMINBRYQXPT-DLBZAZTESA-N 427.595 3.541 0 40 IHAB CCOC(=O)c1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c1C 13647613 XHKOWESJAKQBMA-UHFFFAOYSA-N 444.553 3.907 0 40 IHAB O=C1NC2(CCCC2)C(=O)N1CCCC(=O)N1CCc2sccc2[C@@H]1c1cccs1 14095403 MVYXNAJVNROJGV-LJQANCHMSA-N 443.594 3.929 0 40 IHAB Cc1ccc2oc(C(=O)NCC(=O)Nc3ccc(Br)cc3C)cc(=O)c2c1 14184781 AFNFXUQXZBFJQL-UHFFFAOYSA-N 429.270 3.541 0 40 IHAB Cc1cc(S(=O)(=O)N(C)Cc2cnn(Cc3ccccc3)c2)ccc1Br 15365268 IJRKYVAAVZZCBY-UHFFFAOYSA-N 434.359 3.823 0 40 IHAB CCOc1cc(N2CCOCC2)c(OCC)cc1NS(=O)(=O)c1ccc(Cl)cc1 16688145 HCLGWZUPKBTUTB-UHFFFAOYSA-N 440.949 3.775 0 40 IHAB C[C@@H](CC(=O)N1CCC(Cc2ccccc2)CC1)CC1=Nc2ccccc2S(=O)(=O)N1 16842849 GVSOIVKMMKVGQB-GOSISDBHSA-N 439.581 3.906 0 40 IHAB Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@@H]2CCCN(C(=O)c3ccccc3F)C2)n1 19290154 IIWVIOAOBKKROQ-QGZVFWFLSA-N 434.519 3.636 0 40 IHAB COc1ccccc1-c1ccccc1C[C@@H]1CN(C(=O)c2cccc(F)c2)CCNC1=O 19571796 DJWSJAHGHPLLIF-HXUWFJFHSA-N 432.495 3.932 0 40 IHAB Cc1ccc(N2C(=O)c3ccc(C(=O)N4CCN(Cc5ccccc5)CC4)cc3C2=O)cc1 19624358 OXZRYTMNFWBRLD-UHFFFAOYSA-N 439.515 3.754 0 40 IHAB COc1cc(CN(C(=O)c2cccc(C)c2OC)C2CCCCC2)ccc1OCC(N)=O 19631938 OPOTWZAOYTUBNQ-UHFFFAOYSA-N 440.540 3.851 0 40 IHAB CN(C)C(=O)c1sc2ccccc2c1[C@H]1CN(C(=O)COc2ccccc2F)CCO1 19696796 MRJZPIVZTLKNES-GOSISDBHSA-N 442.512 3.721 0 40 IHAB CCCc1cc(C(=O)N2CC[C@@H](c3ncc(C(=O)Nc4ccccc4OC)c(C)n3)C2)no1 19766127 AQPZPOBWBLFZGT-MRXNPFEDSA-N 449.511 3.616 0 40 IHAB COc1cccc(NC(=O)Cn2cc(C(=O)c3ccccc3)c(=O)c3ccc(C)nc32)c1 20579504 RFBGDFCJLJYFRQ-UHFFFAOYSA-N 427.460 3.583 0 40 IHAB COc1ccc(-c2noc(CNC(=O)[C@@H]3CCCN(c4ccc(C)cc4)C3)n2)cc1OC 22256211 GMNFIBBOKPFFMH-GOSISDBHSA-N 436.512 3.595 0 40 IHAB O=S(=O)(NCc1ccc(CN2CCOCC2)cc1)c1cc(C(F)(F)F)ccc1Cl 22357665 URWWWPRWGDVVEQ-UHFFFAOYSA-N 448.894 3.670 0 40 IHAB COc1ccc(CCCNC(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1 22366013 MUPWCKMOHBIJKV-UHFFFAOYSA-N 445.368 3.517 0 40 IHAB CC(C)N(C(=O)[C@H](C)OC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1)C(C)C 23277678 DMHLXOOJOUICLK-AWEZNQCLSA-N 446.997 3.608 0 40 IHAB COC(=O)c1c(CSc2nnc(N(C(C)=O)C3CC3)s2)nc2ccccc2c1C 25364490 MUOYQTKOLJRIIW-UHFFFAOYSA-N 428.539 3.989 0 40 IHAB CCOc1cc2c(cc1NC(=O)CSc1nncn1-c1ccc(OC)cc1)O[C@@H](C)C2 26612397 LSIMNWZRRYSQCO-AWEZNQCLSA-N 440.525 3.729 0 40 IHAB COc1cccc(C(=O)N(Cc2ccc(Cl)cc2Cl)[C@H]2CCS(=O)(=O)C2)c1 27745994 HCYKQAJJVDOQBY-INIZCTEOSA-N 428.337 3.832 0 40 IHAB Cc1cc(=O)n2nc(CN(C)Cc3cn(-c4ccccc4)nc3-c3ccccc3)sc2n1 28728483 BZKVEAZMJAMLGW-UHFFFAOYSA-N 442.548 3.944 0 40 IHAB Cn1ccc(C(=O)N2CCN(Cc3ccc(-c4cccc(Cl)c4)s3)CC2)cc1=O 30180691 JQTGRJGQDFZEGD-UHFFFAOYSA-N 427.957 3.725 0 40 IHAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](C)NC(=O)OCc1ccccc1 32905828 BWUIPQDBSVMWSZ-CQSZACIVSA-N 440.418 3.984 0 40 IHAB CN1CCN(c2ccccc2NC(=S)NC(=O)CC23CC4CC(CC(C4)C2)C3)CC1 33656535 WQNIHYFWUQNISZ-UHFFFAOYSA-N 426.630 3.858 0 40 IHAB O=C(NCc1ccccc1)[C@@H](c1cccnc1)N(C(=O)c1cnccn1)c1ccc(F)cc1 35291047 MWGFEDUTGQQIDD-HSZRJFAPSA-N 441.466 3.715 0 40 IHAB CCc1ccc2c(c1)c1nnc(SCC(=O)Nc3c(OC)cccc3OC)nc1n2C 35312656 IVCFDPZEXVVMMJ-UHFFFAOYSA-N 437.525 3.827 0 40 IHAB O=C(O)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1sc2c(c1C(=O)N1CCCCC1)CCCC2 35897625 FAUADYRSRSQEFX-NONVJHHQSA-N 428.554 3.714 0 40 IHAB O=C(Nc1nc(CCC(=O)N2CCn3c2nc2ccccc23)cs1)c1ccc(F)cc1 38510142 BXDGNDNRHNUZRI-UHFFFAOYSA-N 435.484 3.864 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccc(F)cc2F)cc1Cl 39986514 JFTFPFZAGJQLEL-UHFFFAOYSA-N 432.876 3.666 0 40 IHAB COCCNc1nn(CN2CCN([C@@H](C)c3ccccc3Cl)CC2)c(=S)s1 40061178 FZAKTSWDVXRYSX-AWEZNQCLSA-N 428.027 3.722 0 40 IHAB Cc1ccc(Cn2nc(C)c(/C=C/C(=O)N[C@@H](C(=O)N(C)C)c3ccccc3)c2C)cc1 40155261 JWVAWQXDPCKJDG-KVACCUTFSA-N 430.552 3.816 0 40 IHAB COc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 44904620 KKCWUGDIRRURPP-KRWDZBQOSA-N 432.542 3.666 0 40 IHAB O=C(c1ccco1)[C@H]1[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 49899654 QVQWILUXLJHDTC-FNAHDJPLSA-N 428.419 3.817 0 40 IHAB O=C(CCn1cnc2ccccc2c1=O)N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1 50826829 HHHVUNTUWRVBAB-HSZRJFAPSA-N 437.503 3.763 0 40 IHAB CCOc1ccc(NC(=O)Cn2c(=O)n(-c3ccc(C)c(C)c3)c(=O)c3sccc32)cc1 57490968 PFUUBDPSQGCPOD-UHFFFAOYSA-N 449.532 3.868 0 40 IHAB Cc1cccc(Cl)c1NC(=O)CSc1ncnc2nc(N3CCOCC3)sc12 57507119 MXUFXMNRYDEESL-UHFFFAOYSA-N 435.962 3.616 0 40 IHAB O=C(c1ccccc1OCc1ccncc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 58203110 ONGRQIVVPAESDI-UHFFFAOYSA-N 428.492 3.781 0 40 IHAB CCOc1cc(Br)c(CC(=O)NCc2cn3ccsc3n2)cc1OCC 58305304 GDXRLSVHFIVITK-UHFFFAOYSA-N 438.347 3.815 0 40 IHAB CC(=O)CCc1ccc(OC[C@H](O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)cc1 58614959 LYKURXLFZYDTFQ-MRXNPFEDSA-N 435.307 3.665 0 40 IHAB CCc1c(C(=O)N[C@@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)[nH]c(C)c1C(C)=O 59358673 NYTDLJFXVMRKPM-AWEZNQCLSA-N 433.574 3.610 0 40 IHAB Cc1ccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@@H](O)[C@@H]43)CC2)c(C)c1 70686476 SVKLPRDZURGQKV-IUHGBDCNSA-N 438.612 3.710 0 40 IHAB biogenic CCOc1ccc(CN2CCC[C@H](c3cc(N(C)C)nc(-c4cccnc4)n3)C2)cc1CO 72352945 ZQPVZFYDQCYLML-NRFANRHFSA-N 447.583 3.875 0 40 IHAB O=S(=O)(NC1(c2nc(-c3ccsc3)no2)CCCCC1)c1ccc2c(c1)OCCO2 77197588 VNENNWSQQOEMKI-UHFFFAOYSA-N 447.538 3.707 0 40 IHAB COc1cc2c3cnn(Cc4cccc(Br)c4)c(=O)c3n(C)c2cc1OC 79480890 JNMOGEFNTGLEHG-UHFFFAOYSA-N 428.286 3.716 0 40 IHAB O=C(CN1CCN(CC(=O)Nc2ccc(-c3ccccc3)cc2)CC1)Nc1ccc(F)cc1 95357448 CFPKWZOSKLLQDP-UHFFFAOYSA-N 446.526 3.688 0 40 IHAB COC(=O)[C@@H]1C[C@@H](OC)CN1C(=O)CC1(Cc2nc3ccccc3s2)CCCCC1 95957497 XVYDOGJGHFSOTN-AEFFLSMTSA-N 430.570 3.968 0 40 IHAB CCc1ccc(NC(=O)N2CCC3(CC2)CN(CC(C)C)C[C@@]32CCN(C)C2=O)cc1 96144225 XHSFLEZZRCZFRJ-RUZDIDTESA-N 426.605 3.683 0 40 IHAB O=C([C@@H]1Cc2ccccc2CN1Cc1ccc(O)cc1)N1CCN(c2ccccc2F)CC1 199431623 KBLBANOIMONCSF-SANMLTNESA-N 445.538 3.807 0 40 IHAB COc1ccc(CCC(=O)NCc2nc(-c3cccc(Br)c3)no2)cc1OC 219282865 BHEQEIQMNAMTBP-UHFFFAOYSA-N 446.301 3.765 0 40 IHAB C[C@@H](C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220460322 SQNVASIGLCBVIU-SCLBCKFNSA-N 438.496 3.538 0 40 IHAB CCOc1ccc(N([C@@H](CC)C(=O)NCCSC2CCCCC2)S(C)(=O)=O)cc1 220670649 BCICBZGBIVEJFF-FQEVSTJZSA-N 442.647 3.812 0 40 IHAB CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1cc(C)c(Br)c(C)c1 222384487 QQTIKRLRTXIJSK-QGZVFWFLSA-N 447.373 3.916 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCCCc1ccc(Cl)cc1)c1ccc(F)c(F)c1 222680920 MKVXSXPEPSWCJH-UHFFFAOYSA-N 444.931 3.913 0 40 IHAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1cccc(S(=O)(=O)Nc2ccccc2)c1 223925453 CFGOPPQHCKLURK-UHFFFAOYSA-N 435.505 3.867 0 40 IHAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(OC)cc1 223980718 AOTWRIKUZHCZHP-HSZRJFAPSA-N 426.557 3.970 0 40 IHAB Cc1ccc(OCCNC(=O)CCCN(c2ccc(C)cc2C)S(C)(=O)=O)c(C)c1 224647344 OFSVEEADKSJIDW-UHFFFAOYSA-N 432.586 3.662 0 40 IHAB Cc1cc(-c2cnc(C(C)C)nc2[C@H]2CC[C@H](CNC(=O)c3ccc(=O)n(C)c3)CC2)on1 257257361 KPFOZPIGGGWDDK-IYARVYRRSA-N 449.555 3.966 0 40 IHAB COCCC(=O)N1CCC(COc2cccc(Cl)c2)(CC(=O)N2CCCCC2)CC1 257283442 OYIZGNPKAQRXPM-UHFFFAOYSA-N 436.980 3.767 0 40 IHAB COc1cc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@H]4O)ccc1OCC(=O)N1CCCC1 257327001 WZLCVRBQRDXLKB-VJNJQGDRSA-N 429.557 3.571 0 40 IHAB Cc1ccc(N([C@H](C)C(=O)NCCOc2ccccc2C(C)C)S(C)(=O)=O)cc1C 260928686 KMAKAFDEEQHNLH-LJQANCHMSA-N 432.586 3.777 0 40 IHAB O=C(NCc1ccccc1OC(F)(F)F)C1CN(c2cc(-c3ccccc3)ncn2)C1 390829072 WLBLRLAJRGNALV-UHFFFAOYSA-N 428.414 3.795 0 40 IHAB COc1ccc(OC)c(NC(=O)COC(=O)CCCC(=O)Nc2ccc(C)c(Cl)c2)c1 408667783 RACLAFUMZAVJSY-UHFFFAOYSA-N 448.903 3.956 0 40 IHAB COCCCN1C(=O)S/C(=C/c2ccccc2OCC(=O)Nc2ccc(F)cc2)C1=O 409220693 DKZYJUHZKQKTAE-CPNJWEJPSA-N 444.484 3.916 0 40 IHAB CNS(=O)(=O)c1cc(NC(=O)[C@]2(Cc3cccc(OC)c3)C[C@H]3CC[C@H]2C3)ccc1C 605079721 BYDILRKRYDMEBK-AXHZCLLHSA-N 442.581 3.899 0 40 IHAB CCn1nc(C(=O)N2CCC[C@@]3(CCCCCOc4ccccc4C(=O)NC3)C2)cc1C 643559461 JCTCHKIFFPWZOY-RUZDIDTESA-N 438.572 3.817 0 40 IHAB O=C(Nc1ccc(F)cc1C(F)(F)F)N[C@@H]1Cc2cc(Br)cnc2NC1=O 1623033951 TUFKNHWFHVFBKD-GFCCVEGCSA-N 447.186 3.687 0 40 IHAB CC(C)Oc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccccc3Cl)CC2=O)cc1 800523 XUDPALANJILLSD-OAHLLOKOSA-N 430.888 3.662 0 40 IHAB COc1cccc(-c2noc([C@H]3CCCN(S(=O)(=O)c4ccccc4Cl)C3)n2)c1 1360275 DKQCSHSQDSXQNO-HNNXBMFYSA-N 433.917 3.967 0 40 IHAB Cc1ccc2cc(CN(Cc3nnnn3Cc3ccco3)C3CCCCC3)c(=O)[nH]c2c1 1373147 YRPNSYRQRYMLGX-UHFFFAOYSA-N 432.528 3.799 0 40 IHAB CC[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 2109990 MICDTNYKBXNWCV-SUEVOUGKSA-N 439.552 3.983 0 40 IHAB biogenic O=C(O)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2Br)c1 2660475 KSJBKXGEUXHCCK-UHFFFAOYSA-N 435.093 3.711 0 40 IHAB Cc1ccc(-n2c(SCn3nnc4ccccc4c3=O)nnc2-c2cccnc2)c(C)c1 3430249 HCMJEPSIIHQWJZ-UHFFFAOYSA-N 441.520 3.801 0 40 IHAB aggregator CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CC(C)C)c(C)c1 8840874 HKICXAWUGWHRRU-UHFFFAOYSA-N 429.542 3.689 0 40 IHAB O=C(Nc1nc2c(s1)Cc1ccccc1-2)c1ccc(S(=O)(=O)N2CCCC2)cc1 8879535 QIRLHOSWCIINPR-UHFFFAOYSA-N 425.535 3.751 0 40 IHAB Cc1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3N2[C@@H](C)C(=O)N2CCCCC2)c(C)c1 9254319 MUAPDGWQKXGUQU-CVDCTZTESA-N 448.567 3.860 0 40 IHAB CCOc1ccccc1N1C[C@@H](C(=O)Nc2ccnn2Cc2ccccc2Cl)CC1=O 9255955 SCUPGZYMIJIXJC-KRWDZBQOSA-N 438.915 3.975 0 40 IHAB O=C(COCC(=O)N(c1ccccc1)c1ccccc1)N1CCN(c2ccc(F)cc2)CC1 9355453 ARGKXQGDURVTCB-UHFFFAOYSA-N 447.510 3.856 0 40 IHAB Cc1cc(C(=O)CSc2nnc3ccccn23)c(C)n1C[C@@H]1COc2ccccc2O1 9491478 ZYLYQTQUFJDDRW-QGZVFWFLSA-N 434.521 3.963 0 40 IHAB O=S(=O)(Nc1ccccc1-c1ccccc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 9507061 JPSCRMOCQNDAMZ-UHFFFAOYSA-N 442.562 3.939 0 40 IHAB CCCCn1c(N)c(N(C(=O)c2ccc(Cl)c(Cl)c2)C2CCCC2)c(=O)[nH]c1=O 9507294 IRFGHGYMVGZRLI-UHFFFAOYSA-N 439.343 3.815 0 40 IHAB O=C(CSc1nnc(CNC(=O)c2c(F)cccc2F)o1)Nc1ccc(Cl)cc1 9518634 NOKPNNKMMVBNBW-UHFFFAOYSA-N 438.843 3.662 0 40 IHAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(S(=O)(=O)c1c(C)noc1C)CC2 9593023 IQCBWVZZYQBBDK-NRFANRHFSA-N 428.510 3.645 0 40 IHAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)N1CCN(C(=O)C2CC2)CC1 9712012 IEKCCNVQAHRDIH-JLHYYAGUSA-N 444.510 3.772 0 40 IHAB O=C(CSc1nc(-c2ccccc2Br)n[nH]1)N1CCC(c2ccccc2)=N1 9781882 ODPIPHOARXVSRF-UHFFFAOYSA-N 442.342 3.963 0 40 IHAB Cc1ccc(-c2nc(CN3C(=O)N[C@](C)(c4ccc5c(c4)OCCO5)C3=O)cs2)cc1 9782055 BFDUPXZTMFKQEF-HSZRJFAPSA-N 435.505 3.857 0 40 IHAB O=C(CSc1nnc(-c2cc3ccccc3[nH]2)n1-c1ccccc1)NC[C@H]1CCCO1 9949077 RTBRVLPWNPRHAP-GOSISDBHSA-N 433.537 3.803 0 40 IHAB O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(NS(=O)(=O)c2cccs2)cc1 10834533 QDWJJLGMESBLKK-UHFFFAOYSA-N 441.534 3.928 0 40 IHAB Cc1nc(-n2nc(-c3cccs3)cc2NC(=O)c2ccc(F)cc2F)[nH]c(=O)c1C 11855017 VNOAWJASAXTNON-UHFFFAOYSA-N 427.436 3.831 0 40 IHAB Cc1nc2ccc(C(=O)NC[C@@H](c3cccnc3)S(=O)(=O)c3ccccc3)cc2nc1C 11907138 BHEVXBXBXZRKKH-QHCPKHFHSA-N 446.532 3.587 0 40 IHAB Cc1ccc(O[C@H](C)C(=O)N2CCC(c3cc(C(F)(F)F)n4ncnc4n3)CC2)c(C)c1 12188558 RJEMJFQSUTVXSX-OAHLLOKOSA-N 447.461 3.933 0 40 IHAB O=C1Nc2ccccc2CC[C@@H]1SCC(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 12389846 VXXYBIWYHPDFFN-FQEVSTJZSA-N 444.984 3.837 0 40 IHAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 12548485 JNMIOQXTGQOHPW-SZNDQCEHSA-N 442.468 3.794 0 40 IHAB Cc1cccc(OCCNC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)c1 12793147 VWFKYJLJINHJBA-UHFFFAOYSA-N 445.357 3.805 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(CCOc3c(Cl)cccc3Cl)CC2)cc1C 13137934 MOHYGUXLBXFFKO-UHFFFAOYSA-N 443.396 3.996 0 40 IHAB CCCN(Cn1nc(Nc2ccccc2OCC)sc1=S)[C@@H]1CCS(=O)(=O)C1 14264617 XFROSJBXRMNCOL-CQSZACIVSA-N 442.632 3.673 0 40 IHAB COC(=O)c1cc(OC)c(OC)cc1NCC(=O)Nc1cccc(-c2csc(C)n2)c1 15321741 POQMJCLJRWJYTB-UHFFFAOYSA-N 441.509 3.973 0 40 IHAB O=C(O)CNc1ncc(-c2nnnn2-c2ccc(Cl)cc2)c(-c2cccc(Cl)c2)n1 16399051 OMHRGWGPHJVLNQ-UHFFFAOYSA-N 442.266 3.590 0 40 IHAB COc1ccccc1-c1ccc(C[C@]2(C(=O)NC(C)C)CCN(C(=O)c3cc[nH]n3)C2)cc1 19449346 PWAWGOBDSUSJHG-AREMUKBSSA-N 446.551 3.685 0 40 IHAB CCCN1CCN(C(=O)c2cn(C)cn2)C[C@H](Cc2ccccc2-c2ccccc2)C1=O 19503218 FTCRZINGNIVTDO-QFIPXVFZSA-N 430.552 3.640 0 40 IHAB CCCn1ncc(CN2CCC(C[C@H]3CC(c4cccc(F)c4)=NO3)(C(=O)O)CC2)c1C 19525935 ZEQRMRVMAPVKNW-OAQYLSRUSA-N 442.535 3.991 0 40 IHAB CN(C(=O)c1cc(C2CCN(C(=O)C3CCCC3)CC2)no1)c1ccc2c(c1)OCCO2 19586754 VXEJLSPHGFPZOF-UHFFFAOYSA-N 439.512 3.619 0 40 IHAB CNC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)Cc2ccccn2)C1 19591142 ZSAMUWOMFAJUAH-RUZDIDTESA-N 433.577 3.950 0 40 IHAB Cc1nc([C@@H]2CCCN(C(=O)Cn3cnc4ccccc43)C2)nc2c1CCCN2CC1CC1 19706917 FBBLYWUQVDLNIW-HXUWFJFHSA-N 444.583 3.704 0 40 IHAB CCCN1C(=O)CCc2c(C)nc([C@@H]3CCCCN3C(=O)CC3(O)CCCCC3)nc21 19741185 NHFPKONNYQSBMO-IBGZPJMESA-N 428.577 3.613 0 40 IHAB Cc1nc2ccc(C(=O)Nc3cnn(CC(=O)Nc4cccc(C(F)(F)F)c4)c3)cc2[nH]1 19746137 SDKQQYYNCWFLTK-UHFFFAOYSA-N 442.401 3.978 0 40 IHAB CN(C)C(=O)c1cc([C@@H]2CCN(S(=O)(=O)c3ccccc3Cl)C2)nc2ccccc12 19761049 WDBDPKUXASLLAP-OAHLLOKOSA-N 443.956 3.768 0 40 IHAB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)CCN1CCN(CC)CC1 19902501 FCZFMZIKTOFBMF-UHFFFAOYSA-N 429.586 3.866 0 40 IHAB Cc1cc(Cl)ccc1OCCCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19929738 BUGZAOXJKSBMNV-UHFFFAOYSA-N 430.932 3.881 0 40 IHAB O=C(NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)C1=C(c2ccccc2)SCCO1 20744886 XVGQPLMZWIOISB-HXUWFJFHSA-N 444.984 3.962 0 40 IHAB CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1ccc(SC)cc1 20802143 ZNFWSEIEMBPUIN-WOJBJXKFSA-N 439.537 3.520 0 40 IHAB O=C(c1cc2ccccc2c(=O)[nH]1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 23009039 DSVTXKXBWZQYJI-UHFFFAOYSA-N 430.533 3.610 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N1CCN(Cc2nc(-c3cccs3)cs2)CC1 23145118 XXKDYNBPJAAWFQ-UHFFFAOYSA-N 449.623 3.695 0 40 IHAB CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)CN1C[C@@H](C)O[C@H](C)C1 23224685 PREHQJYVZNQTCN-HUUCEWRRSA-N 432.542 3.648 0 40 IHAB O=C(Nc1ccc(CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1)c1ccco1 23438930 CFFLAAUKUISDMX-UHFFFAOYSA-N 440.399 3.909 0 40 IHAB C[C@@H](Oc1ccccc1F)c1nnc(SCCC(=O)NC(=O)NCc2ccccc2)o1 24828649 SZVPOCFZOXVDLD-CQSZACIVSA-N 444.488 3.857 0 40 IHAB Cc1ccc(C(=O)[C@@H](C)OC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1C 25283819 IZLNZBRKZRRVHV-SJLPKXTDSA-N 435.567 3.580 0 40 IHAB COc1ccc(-c2csc(NC(=O)CCn3c(=O)oc4ccccc43)n2)c(OC)c1 25726709 AMKNEXPVILNLDH-UHFFFAOYSA-N 425.466 3.764 0 40 IHAB O=C(NCc1ccc(S(=O)(=O)N2CCCC2)s1)c1csc(-c2ccsc2)n1 25888893 YDPMQEOAANFPJU-UHFFFAOYSA-N 439.609 3.648 0 40 IHAB Cc1ccc([C@H](NC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2)c2cccs2)cc1 26911963 PZUXVEHHOSQFPI-NRFANRHFSA-N 429.586 3.815 0 40 IHAB Cc1cccc(N(Cc2ccccc2)C(=O)CN2CCC[C@@H]2C(=O)NCc2ccco2)c1 27142719 FYFBXWNQWZLCMS-XMMPIXPASA-N 431.536 3.902 0 40 IHAB COC(=O)c1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1 28358868 QYFFIEKCQPFRPO-UHFFFAOYSA-N 445.500 3.903 0 40 IHAB CC[S@@](=O)c1ccccc1C(=O)OCC(=O)Nc1ccnn1Cc1ccccc1Cl 29449301 GUYSFLGOKTVBOC-PMERELPUSA-N 445.928 3.508 0 40 IHAB Cc1ccc(-n2c(SCC(=O)NC(=O)c3ccccc3)nc3ccccc3c2=O)cc1F 32752698 DCLJHMIOZLKSFI-UHFFFAOYSA-N 447.491 3.882 0 40 IHAB COc1ccccc1NC(=O)CSc1cc(C)c2cc(S(=O)(=O)N(C)C)ccc2n1 33087818 XLBAHERAOCKEJG-UHFFFAOYSA-N 445.566 3.533 0 40 IHAB Cc1ccc(-n2ncc3c(=O)n(Cc4nc(-c5ccc(Cl)c(F)c5)no4)cnc32)cc1 33293063 JMOUSKGJQMXJDW-UHFFFAOYSA-N 436.834 3.781 0 40 IHAB COc1ccccc1-n1c(SCC(=O)Nc2nc(C)cs2)nnc1-c1ccccn1 35290478 BMTIZLNHGPDAFK-UHFFFAOYSA-N 438.538 3.834 0 40 IHAB COc1ccc(/C=C2/SC(=O)N(CCNC(=O)[C@H](C)Oc3cccc(C)c3)C2=O)cc1 35374469 UPBKVKUNLGTEIQ-RZKQZQCBSA-N 440.521 3.624 0 40 IHAB COC(=O)[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1Cl)C(C)C 36580039 LCCQVBGVFQQFLS-NVXWUHKLSA-N 425.316 3.571 0 40 IHAB Cc1ccc(-n2ncc3c(C)nnc(SCC(=O)Nc4ccc5c(c4)OCO5)c32)cc1 38488199 HSAOFYKDRDOGRK-UHFFFAOYSA-N 433.493 3.892 0 40 IHAB CCCc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(S(=O)(=O)N(C)C)cc3)c12 40129125 CTSSRGIXWLYHKV-UHFFFAOYSA-N 428.514 3.555 0 40 IHAB C[C@@H]1C[C@@H](C)CN(Cc2ccc(CNC(=O)c3ccc(CS(C)(=O)=O)cc3)cc2)C1 48345525 CGIYGEGRUZOOEC-RTBURBONSA-N 428.598 3.639 0 40 IHAB COc1ccc(NC(=O)CSc2nnc(-c3cc4c(cc3C)OCCCO4)n2C)cc1 64987127 LTVCTDOBADTLAQ-UHFFFAOYSA-N 440.525 3.691 0 40 IHAB CCN1CCN(C(=O)Cc2cccnc2)[C@@H](Cc2cccc(-c3ccc(OC)cc3)c2)C1=O 72351452 QPWAYRJRRCFBQI-VWLOTQADSA-N 443.547 3.602 0 40 IHAB CCOC(=O)[C@@]1(Cc2cc(-c3ccc(F)cc3)no2)CCCN(Cc2cncn2C)C1 72394041 UWTHEJJRCXIBBD-HSZRJFAPSA-N 426.492 3.602 0 40 IHAB COc1cccc(C(=O)N2CCC[C@](Cc3cc(-c4ccccc4)no3)(C(=O)N(C)C)C2)c1 72395943 RAJUYGLYZFGGBS-AREMUKBSSA-N 447.535 3.904 0 40 IHAB Cc1ccc(C(N)=O)cc1NC(=O)C(=O)N[C@H](CCCc1ccccc1)c1ccccc1 84185549 ZPYOZDROVRERLB-JOCHJYFZSA-N 429.520 3.913 0 40 IHAB COc1ccc(C(=O)N2CCC(C(=O)N3CCC[C@@H]4COCC[C@@H]43)CC2)c2ccccc12 95410789 AWUULEBLJRQDCC-XXBNENTESA-N 436.552 3.728 0 40 IHAB Cc1nn(CC(C)C)c(C)c1CCC(=O)N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 95454064 JWXXUTQMDKGDTJ-NFBKMPQASA-N 430.980 3.830 0 40 IHAB O=C(C[C@H](Cn1cnnn1)c1ccc(Cl)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 95476543 VOWNFMPEBMBRON-GOSISDBHSA-N 449.946 3.783 0 40 IHAB O=C(COc1ccc(Cl)cc1C(F)(F)F)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 95997451 RZDSJLKLWQVEIG-AWEZNQCLSA-N 439.883 3.696 0 40 IHAB C[C@@]12CC[C@H]3c4ccc(Oc5nc(N6CC6)nc(N6CC6)n5)cc4CC[C@@H]3[C@@H]1CCC2=O 104082619 JCBUOSRYPMXDEE-AJGMTHFWSA-N 431.540 3.729 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 220354061 XTXOWUVCGADHMC-CQSZACIVSA-N 438.933 3.618 0 40 IHAB COc1ccc(OC)c(S(=O)(=O)NCCCNc2ccnc3cc(Cl)ccc23)c1 222977584 WJYSQTXPDMUQBK-UHFFFAOYSA-N 435.933 3.686 0 40 IHAB CC[C@@H](C(=O)NCCOc1ccc(Cl)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 224300516 XJNLSMHKUYPJHE-SFHVURJKSA-N 445.368 3.733 0 40 IHAB O=C(Nc1nnc(S(=O)(=O)Nc2c(F)cccc2F)s1)c1ccc(Cl)cc1 225132278 BRHFHHYYFDEAKS-UHFFFAOYSA-N 430.845 3.523 0 40 IHAB COc1ccc(CN2C[C@@H]3CN(C(=O)c4ccc(Cl)cc4)CCN3C(C)(C)C2)cc1 253407551 WPBVOIWCYBXSAI-OAQYLSRUSA-N 427.976 3.769 0 40 IHAB biogenic,in-vitro Cc1ccc(C(=O)N2CC[C@@H](c3cc4nc(C)c(CCC(=O)NC(C)C)c(C)n4n3)C2)cc1 257208114 BKVIEYNXZSGFCA-OAQYLSRUSA-N 447.583 3.741 0 40 IHAB O=C(c1cccc(OCCN2CCOCC2)c1)N1CC[C@@H](Cc2cccc3ncccc23)C1 257237131 HFHMUVUZXDIQIB-NRFANRHFSA-N 445.563 3.651 0 40 IHAB CCN1CCN(C(=O)CC2(O)CCCCC2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O 257257126 KODOEJVJJZSUND-QHCPKHFHSA-N 449.595 3.683 0 40 IHAB Cc1cnc(C(=O)N2[C@H](c3cccc(C(F)(F)F)c3)C[C@H]3NC(=O)CCCC[C@@H]32)cn1 257261141 LFXLZYDJCIQTCT-NEWSRXKRSA-N 432.446 3.818 0 40 IHAB CCN1CCN(C(=O)c2ccnc(OC)c2)[C@@H](Cc2ccccc2-c2ccccc2)C1=O 257278757 ODOAJYRVRWUUIO-QHCPKHFHSA-N 429.520 3.673 0 40 IHAB Cc1cc(Nc2ccc(F)cc2)cc([C@@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)n1 257300756 RVOWFYPKVBCULH-MRXNPFEDSA-N 429.521 3.575 0 40 IHAB CN1CCN(C(=O)C2(c3ccccc3)CCOCC2)C[C@H](Cc2cnc3ccccc3c2)C1 257326385 WXAOOEYNCWZTHU-HSZRJFAPSA-N 443.591 3.916 0 40 IHAB CCOc1ccc(N([C@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)cc1 260453323 JHEUKBNNCSLQTA-UZLBHIALSA-N 446.569 3.658 0 40 IHAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2ccc(O)c(I)c2)S1 260786400 WVZCHJKYRJONMQ-HPEXNQPKSA-N 437.306 3.981 0 40 IHAB COc1ccc(N([C@H](C)C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)S(C)(=O)=O)cc1OC 260939099 QEUCEDCMAGSMSN-ZWKOTPCHSA-N 448.585 3.661 0 40 IHAB CC(C)n1nccc1[C@@H]1CN(C(=O)CC2CC2)C[C@]12CCCN(Cc1ccccc1)C2=O 306137689 RDDRUVUDDCCTNZ-BKMJKUGQSA-N 434.584 3.999 0 40 IHAB CCCc1nc(S/C(=C\c2cc(Br)c(OC)cc2OC)C(=O)O)n[nH]1 408633041 VFNIXJIUWDCALK-QPEQYQDCSA-N 428.308 3.755 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccccc2)cc1 408654806 BSWPHGQGBYUUAT-UHFFFAOYSA-N 440.496 3.934 0 40 IHAB COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(C(C)C)ccc3OC)C2)cc1 408700649 JQRQWMBPTOVJTQ-GOSISDBHSA-N 446.569 3.867 0 40 IHAB C[C@H](C(=O)Nc1c(Cl)cccc1Cl)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408704333 MGDZQOACEVRIGN-LLVKDONJSA-N 445.324 3.558 0 40 IHAB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C\c2cc(OC)c(O)cc2Br)C1=O 409203612 ZGSQFWUMQWMLIX-WFNNLQEBSA-N 444.303 3.541 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NC1CCCC1)c1ccc(C)c(C)c1 409389996 SHQQXJDQNNMLEO-UHFFFAOYSA-N 430.570 3.875 0 40 IHAB Cn1nc(-c2ccc(Br)cc2)cc1C(=O)NC[C@@H]1CCCN2CCCC[C@@H]12 504772526 BWVRGYZEWUOEER-LPHOPBHVSA-N 431.378 3.844 0 40 IHAB biogenic C[C@H](NC(=O)[C@@H](C)NC(=O)c1n[nH]c2ccccc12)c1ccc(Oc2cccnc2)cc1 517995254 XJRCPTCCEIPGHB-JKSUJKDBSA-N 429.480 3.746 0 40 IHAB CN(CCCNC(=O)OC(C)(C)C)CCOc1ccccc1Oc1ncccc1C(=O)O 585274058 ZSOQSXSWLWFZNU-UHFFFAOYSA-N 445.516 3.798 0 40 IHAB CC1(C)[C@H](c2cccc(C(F)(F)F)c2)CCN1C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 1648954815 CULVPZFZSBJKKU-HNNXBMFYSA-N 431.414 3.644 0 40 IHAB O=C(CC1CCCC1)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCc2ccccc2C1 2037844574 XOJDNINBGYMMBR-KAHCWPQKSA-N 434.580 3.691 0 40 IHAB CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)CN3CCc4ccccc4C3)c12 2259826 BCKVEPZPJJRLDO-UHFFFAOYSA-N 435.524 3.669 0 40 IHAB COc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1OC 2402275 CKNGXGZNVBBRSW-AOMKIAJQSA-N 435.476 3.843 0 40 IHAB COc1ccc(C)cc1NC(=O)COC(=O)[C@H](CC(C)C)NC(=O)c1ccccc1C 2634842 JIJVETBAQJOJCH-FQEVSTJZSA-N 426.513 3.638 0 40 IHAB O=C(Nc1nc(-c2ccccc2)cs1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 3191380 STRYGTYNNDHPDP-QGZVFWFLSA-N 427.551 3.850 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc2oc(SCC(=O)Nc3ccccc3OC)nc2c1 3266994 XRBKYUCAZFFNTR-UHFFFAOYSA-N 449.554 3.598 0 40 IHAB COC(=O)c1ccc(OC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)cc1 3560787 GKYDLFHQBVDHSL-UHFFFAOYSA-N 425.462 3.518 0 40 IHAB CCOCCCNC(=S)N(Cc1cccs1)Cc1cc2ccc(OC)cc2[nH]c1=O 6195371 GFGXNQFLMZVERW-UHFFFAOYSA-N 445.610 3.902 0 40 IHAB CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CCC(C)CC3)cc2c1 6196772 WDWNYOOBIRINEQ-QFIPXVFZSA-N 436.560 3.850 0 40 IHAB O=C(Nc1nc(-c2ccccn2)cs1)c1cccc(S(=O)(=O)N2CCCCC2)c1 6346717 CYTJSIMKTPYDFX-UHFFFAOYSA-N 428.539 3.632 0 40 IHAB CCN(c1ccc(C)cc1C)S(=O)(=O)c1nnc(NC(=O)c2ccccc2OC)s1 8588146 GZZIMJDXOQDTLA-UHFFFAOYSA-N 446.554 3.631 0 40 IHAB C[C@@H](Sc1ccc(S(=O)(=O)N2CCCC2)cn1)C(=O)N[C@H]1CCCc2ccccc21 8718715 QFLAOGSFFVGKSQ-UZLBHIALSA-N 445.610 3.541 0 40 IHAB COc1ccc(Cl)cc1C(=O)NCCn1ncc2c(NCC(C)C)nc(SC)nc21 8942548 PNVFDVAGOWGVRW-UHFFFAOYSA-N 448.980 3.708 0 40 IHAB COc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)cc1Cl 9063781 KKRHUQMATUYIMZ-UHFFFAOYSA-N 438.933 3.784 0 40 IHAB C[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccc(-n2cncn2)cc1 9220055 GNLYKZMKYIDJRB-KRWDZBQOSA-N 447.520 3.559 0 40 IHAB COc1ccc(-c2cc(C(=O)Nc3ncc(C(N)=O)s3)c3ccccc3n2)cc1OC 9254862 XOJYCTRGBRKKMD-UHFFFAOYSA-N 434.477 3.727 0 40 IHAB CN(Cc1cccs1)C(=O)c1cccnc1SCC(=O)Nc1ccc2c(c1)OCO2 9515709 GGCRDXGVIYAFCF-UHFFFAOYSA-N 441.534 3.875 0 40 IHAB CCc1ccccc1Nc1nc(N)nc(COC(=O)CCC(=O)c2ccc(C)s2)n1 9550200 GPFWHEYCWQLBQU-UHFFFAOYSA-N 425.514 3.836 0 40 IHAB O=C(c1cccc(Cl)c1)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 9670233 WWSBXXVMXWUHPT-UHFFFAOYSA-N 432.851 3.506 0 40 IHAB C[C@H](NC(=O)CCCc1nnc2c(=O)n(-c3ccc(Cl)cc3)ccn12)c1ccccc1 10273467 ACHCOPNAYPLAMK-INIZCTEOSA-N 435.915 3.734 0 40 IHAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)OCC(=O)N(C(C)C)C(C)C)ccc2C)cc1 11444278 BBKFYIUHNWJDPP-UHFFFAOYSA-N 446.569 3.906 0 40 IHAB Cc1cc(CN2CCCCC2)oc1C(=O)N1C[C@H]2CC[C@]3(NC(=O)c4ccccc4N3)[C@H]2C1 12086068 XGKZSCXTGKHICG-JDITYXQVSA-N 448.567 3.608 0 40 IHAB O=C(C[C@@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21)Nc1cccc(Cl)c1 12233125 SHVNYXMEXUPSKK-MRXNPFEDSA-N 437.912 3.911 0 40 IHAB CC(C)c1ccc(Nc2nn(CN3CCN(C(=O)[C@@H]4CCCO4)CC3)c(=S)s2)cc1 12552305 SWJQDYXAEDSZKA-SFHVURJKSA-N 447.630 3.822 0 40 IHAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)N(Cc1ccccc1)c1ccccn1 12642760 UEROATPOXDQOFA-UHFFFAOYSA-N 440.429 3.931 0 40 IHAB COc1cc(NC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc(OC)c1OC 12976439 WDTOQSVGUUJETQ-PSNSNTLYSA-N 442.556 3.858 0 40 IHAB O=C(CSc1nnc(NC2CC2)s1)NCC1(c2ccc3c(c2)OCCO3)CCCC1 13006847 WCQVKJMOMYRLSK-UHFFFAOYSA-N 446.598 3.604 0 40 IHAB C[C@H]1c2cccc(C(=O)N3CCN(CC(=O)Nc4ccccc4Cl)CC3)c2O[C@@H]1C 13121121 FLWMYHCINQHSPV-HZPDHXFCSA-N 427.932 3.621 0 40 IHAB COc1ccc(Cn2nnnc2[C@@H](C(C)C)N2CCN(c3cccc(C)c3C)CC2)cc1 13504888 ZFEYHNBNAPXNDM-XMMPIXPASA-N 434.588 3.866 0 40 IHAB Cc1ccc2[nH]c(=O)c(CN(C[C@H]3COCCO3)C(=O)Nc3ccc(Cl)cc3)cc2c1 13512941 CPYYGEHLYOJJIP-FQEVSTJZSA-N 441.915 3.939 0 40 IHAB CCN(c1ccc(OCC(=O)NCc2ccccc2)cc1)S(=O)(=O)c1ccc(C)cc1 13585258 PYZJFORMQGYBGF-UHFFFAOYSA-N 438.549 3.905 0 40 IHAB Cc1ccccc1/C=C/C(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 14238121 MLEDIBABNQJCSX-ZHACJKMWSA-N 431.458 3.810 0 40 IHAB C/C=C/C=C/C(=O)O[C@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 15180830 LEZIDINFDFHDRP-SMFYSKKWSA-N 440.949 3.517 0 40 IHAB CCOC(=O)[C@@H]1CCCN(C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)C1 15346785 ZVKLRSXGRVQHCN-DENIHFKCSA-N 433.495 3.707 0 40 IHAB CCc1cccc(CC)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 15960922 KEOMZUNYLSLAEL-UHFFFAOYSA-N 436.961 3.738 0 40 IHAB C[C@H]1Oc2ccccc2N(CCC(=O)OCc2cc(=O)oc3cc4c(cc23)CCC4)C1=O 16192604 TXJAILOAEWHQBY-OAHLLOKOSA-N 433.460 3.529 0 40 IHAB Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3cccc(Br)c3)CC2)n1 17012431 BSARVYXEXHGDNJ-UHFFFAOYSA-N 444.377 3.500 0 40 IHAB CCN(Cc1cccc(F)c1)C(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 18150881 RFGYDWQCFIQVIO-DTQAZKPQSA-N 430.545 3.887 0 40 IHAB C[C@@H](C(=O)N1CCC[C@@](Cc2ccccc2-c2cncnc2)(C(N)=O)C1)c1ccccc1 19459151 NIOAJCDPGAQZJY-BCHFMIIMSA-N 428.536 3.584 0 40 IHAB CC[C@@H]1Oc2ccc(C(=O)c3cccs3)cc2N(CC(=O)NCc2ccccc2)C1=O 19500854 UDEPCVMFBSIJPQ-IBGZPJMESA-N 434.517 3.800 0 40 IHAB CCN1CCN(Cc2c(C)nn(C)c2OC)C[C@@H](Cc2ccccc2-c2ccccc2)C1=O 19527662 OFDMJKDYNXTSQZ-HSZRJFAPSA-N 446.595 3.927 0 40 IHAB CCNC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)Cc2cccnc2)C1 19528930 OQMHGXHTFCCVPV-HHHXNRCGSA-N 427.548 3.889 0 40 IHAB CCOC(=O)[C@@]1(Cc2cc(-c3ccc(C)cc3)no2)CCCN(C(=O)[C@@H]2CCCO2)C1 19529886 NAHFNQOCQVPENT-XUZZJYLKSA-N 426.513 3.543 0 40 IHAB Cc1ncc(C(=O)N2CCC[C@](Cc3cccc(-c4cccs4)c3)(C(N)=O)C2)c(C)n1 19552429 FUIKQZOJFCJDIK-XMMPIXPASA-N 434.565 3.772 0 40 IHAB COc1cccc(CC(=O)N2CCC[C@H](c3cc(N(C)C)nc(-c4ccncc4)n3)C2)c1 19584557 ARVZSHJBNIPUER-FQEVSTJZSA-N 431.540 3.562 0 40 IHAB CN(CC(=O)NCc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc2ccccc2c1 19628650 SWSNPDXIIKYXPE-UHFFFAOYSA-N 436.455 3.796 0 40 IHAB Cc1nc([C@@H]2CCCCN2C(=O)CCCn2c(C(C)C)nc3ccccc32)ncc1C(N)=O 19764517 FQDLNZQXPORCFV-NRFANRHFSA-N 448.571 3.891 0 40 IHAB CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@@H]1c1cccnc1 19820095 ZZOAYGHLJOESQT-FCHUYYIVSA-N 426.476 3.747 0 40 IHAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OC 20107009 ARLLMBOQXYAIOH-HXUWFJFHSA-N 432.542 3.584 0 40 IHAB COc1ccc(CSCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1 20109053 RMKMCJKLOUEXST-UHFFFAOYSA-N 443.550 3.763 0 40 IHAB CC1CCN(S(=O)(=O)c2ccc(NS(=O)(=O)Cc3ccc(Cl)cc3)cc2)CC1 20572039 PIXVLXVSCJGRPX-UHFFFAOYSA-N 442.990 3.703 0 40 IHAB CCOc1ccc(CCCNC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc1 22339999 JWWWQIUMGVBAIW-UHFFFAOYSA-N 440.565 3.754 0 40 IHAB COc1ccccc1CCCNC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 22342269 VCEDHZJUHFQSGT-UHFFFAOYSA-N 445.368 3.517 0 40 IHAB CN(C(=O)Cn1nc(C2CC2)c2cnn(-c3cccc(Cl)c3)c2c1=O)c1ccccc1 22767985 HKYGMVNCKATLJA-UHFFFAOYSA-N 433.899 3.776 0 40 IHAB O=C(COC(=O)c1ccc(-c2ccccc2)cc1)NCc1ccccc1CN1CCOCC1 23881056 FFQMKVZBTGJUMQ-UHFFFAOYSA-N 444.531 3.659 0 40 IHAB CCC(=O)c1ccc(OC[C@H](O)Cn2c(C)nc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 24925272 SAZZKXWCMUOYAX-RHSMWYFYSA-N 440.565 3.924 0 40 IHAB CSc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1C(=O)N1CCOCC1 26117552 CLCKFPPLXPLQJS-UHFFFAOYSA-N 434.583 3.607 0 40 IHAB CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(OC)cc2)=N[C@@H]1c1ccccc1 33634523 PYVFOSBLVJDKOL-OAQYLSRUSA-N 439.537 3.905 0 40 IHAB COc1ccc(-n2cnc3cc(C(=O)NCCc4ccc(O)cc4)ccc3c2=O)cc1Cl 36354612 BJZQZDGOBZTASF-UHFFFAOYSA-N 449.894 3.726 0 40 IHAB O=C(CC[C@H]1N=C(O)N(CCc2c[nH]c3ccc(Cl)cc23)C1=O)NC1CCCCC1 36594999 KJKZIICVYLTVOA-LJQANCHMSA-N 430.936 3.718 0 40 IHAB O=C(CCn1c2c(sc1=O)[C@H]1c3ccccc3OC[C@H]1CS2)Nc1ccc(O)cc1 36633790 VYMFJTSLHTXXQL-ORAYPTAESA-N 440.546 3.890 0 40 IHAB Cc1nc(-c2ccc(F)cc2)sc1-c1cc(C(=O)N2CCC3(CC2)OCCO3)[nH]n1 38651931 LCGUJECPXJSRNI-UHFFFAOYSA-N 428.489 3.627 0 40 IHAB O=C(c1cc(S(=O)(=O)N2CCCC2)c[nH]1)N1CCc2sccc2[C@H]1c1cccs1 39996909 JLGIMJVEBQFUJH-IBGZPJMESA-N 447.607 3.710 0 40 IHAB Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)N[C@H](c3ccccc3)c3nccn3C)C2)c1 40150806 BMUAHIMZSQCWRJ-IFMALSPDSA-N 431.540 3.878 0 40 IHAB NS(=O)(=O)c1ccc(NC(=O)Cn2ccc3cc(OCc4ccccc4)ccc32)cc1 40267651 KPVHZFINMZMQQT-UHFFFAOYSA-N 435.505 3.506 0 40 IHAB Cc1ccc(-c2ccc(=O)n(CCC(=O)NCc3ccc(Br)cc3)n2)cc1C 41254975 GMSGJXSCJABUSY-UHFFFAOYSA-N 440.341 3.996 0 40 IHAB C[C@@H](NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1)c1ccc(F)cc1 44934303 ISPISALPBGZFFI-JLTOFOAXSA-N 434.533 3.528 0 40 IHAB O=C(Nc1ccc(=O)n(Cc2ccccc2Cl)c1)N(C[C@H]1CCCO1)C[C@H]1CCCO1 48237064 ZWAJIJKDAXTFEP-WOJBJXKFSA-N 445.947 3.742 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 56908053 MIASIZUEZBOUPP-UHFFFAOYSA-N 448.951 3.793 0 40 IHAB O=C(Cn1c(=O)n(-c2cccc(Cl)c2)c(=O)c2sccc21)Nc1ccc(F)cc1F 57491491 LBWDSWJXRBZJEO-UHFFFAOYSA-N 447.850 3.784 0 40 IHAB CCCC(=O)NC[C@@H]1CCCN(C(=O)C2(S(=O)(=O)c3cc(C)ccc3C)CCCC2)C1 58341891 RWGOFXCVPPIQSG-FQEVSTJZSA-N 448.629 3.545 0 40 IHAB O=c1/c(=C\c2cccnc2)sc2n1[C@@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 59337063 YEKNRAKUAMTRGE-XPCGLTFESA-N 439.515 3.853 0 40 IHAB CCN(C(=O)C1=Cc2ccccc2OC1)S(=O)(=O)c1ccc(Br)c(C)c1 72235873 YLQBIDPQLNYBIS-UHFFFAOYSA-N 436.327 3.771 0 40 IHAB CS(=O)(=O)c1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3ccc(Cl)cc3)n2)cc1 72322003 VXOUAKAVKXHJAQ-FQEVSTJZSA-N 431.945 3.707 0 40 IHAB biogenic,in-vitro Cc1sc2nc(C(C)C)n([C@H]3CCCN(CC(=O)N4CCCCC4)C3)c(=O)c2c1C 72347707 JRBHRJFOYKBYAT-SFHVURJKSA-N 430.618 3.848 0 40 IHAB CC(=O)N1CCO[C@H](c2c(C(=O)N3CCN(c4ccccc4)CC3)sc3ccccc23)C1 72356264 XUOMUDLJAGHUDL-NRFANRHFSA-N 449.576 3.784 0 40 IHAB CCOC(=O)[C@@]1(Cc2cc(-c3ccccc3F)no2)CCCN(Cc2cncn2C)C1 72394019 NSPXIUPCBUGFHF-HSZRJFAPSA-N 426.492 3.602 0 40 IHAB COc1ccccc1-c1nc(Cn2cc(-c3nc(-c4cccs4)no3)ccc2=O)no1 77199966 YNGMAGBTKDBCIQ-UHFFFAOYSA-N 433.449 3.734 0 40 IHAB COc1ccc(OC)c(-c2csc(NC(=O)CN(CCc3ccccc3)C(C)=O)n2)c1 95445384 FGSFTNRYAUIZEU-UHFFFAOYSA-N 439.537 3.857 0 40 IHAB COc1cccc([C@@H](O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2OC)c1 95462029 VGUDXXQPSUJGLE-NRFANRHFSA-N 427.522 3.628 0 40 IHAB Cc1ccnc(-n2cc(S(=O)(=O)N3CCCCC[C@@H]3C[C@H](O)c3ccccc3)cn2)c1 95462037 NUXYFCRFKKCRCF-IRLDBZIGSA-N 440.569 3.633 0 40 IHAB CCOc1cc([C@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccccc2)ccc1O 101144880 OSVXOABBDNRLRR-HJOGWXRNSA-N 444.487 3.838 0 40 IHAB Cc1nn(-c2nc3ccccc3s2)c(O)c1[C@H]1CC(=O)N(CCc2ccccc2)C1=O 101444109 BFUSESJTNXFNBQ-MRXNPFEDSA-N 432.505 3.581 0 40 IHAB CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C[C@H]([C@H]5C(c6ccc(Cl)cc6)=NO[C@H]45)[C@H]3C2=O)cc1 103505071 JUKXLVWUIODHES-RAZXTWSVSA-N 434.879 3.717 0 40 IHAB CC[C@@H]1CCCCN1c1nc(=O)c2c([nH]1)NC(=O)C[C@H]2C(=O)Nc1cccc2ccccc12 139113436 BQEWJQLJRNDEBK-SJLPKXTDSA-N 445.523 3.757 0 40 IHAB CC(=O)c1ccc(N2CCN([C@H]3CC(=O)N(c4cc(Cl)ccc4Cl)C3=O)CC2)cc1 215725860 SJIQNFYXPIXLGL-FQEVSTJZSA-N 446.334 3.650 0 40 IHAB COC(=O)c1cccc(NC(=O)C2=C(c3ccccc3)c3ccccc3N(C)S2(=O)=O)c1 219181188 HFJIJNLVFGJUEU-UHFFFAOYSA-N 448.500 3.651 0 40 IHAB CCOc1ccc(CNC(=O)[C@@H](C)N(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1 220257156 HCFJXRXMWKEFDR-CYBMUJFWSA-N 445.368 3.863 0 40 IHAB CC[C@H](C(=O)NCCCc1cccc(OC)c1)N(c1cc(C)ccc1C)S(C)(=O)=O 220548455 HHAWOBHOVXLMQN-OAQYLSRUSA-N 432.586 3.606 0 40 IHAB CCCSc1nnc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)s1 222559484 BGNHRVADRZZSFU-UHFFFAOYSA-N 440.616 3.776 0 40 IHAB CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)COc1cccc(C)c1C 223031413 PZSVFXSPGKPZGW-QGZVFWFLSA-N 447.373 3.998 0 40 IHAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1OC 223809345 MQTGUPQJSGNJHJ-FQEVSTJZSA-N 430.520 3.937 0 40 IHAB COC(=O)c1ccc(Cl)c(NS(=O)(=O)c2cc(Br)ccc2OC)c1 223886662 CEMZBJXDNJMMBE-UHFFFAOYSA-N 434.695 3.699 0 40 IHAB CC[C@H](NC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O)c1ccc(OC)c(C)c1 223926768 FRVBDSFQCFBCFS-SFHVURJKSA-N 442.940 3.830 0 40 IHAB COc1ccc(CN(C(=O)COc2ccc(Cl)cc2)[C@H](C)C(=O)NCC(C)C)cc1 224454466 KWOMOJBBXHNMAV-QGZVFWFLSA-N 432.948 3.917 0 40 IHAB CCOC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(SC)cc1 224983076 FZKMPDKCOZCNKK-UHFFFAOYSA-N 429.947 3.829 0 40 IHAB CC(C)Oc1cccc(CCCNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1 225471415 NIMIGMDUFNYZJL-UHFFFAOYSA-N 444.597 3.624 0 40 IHAB CCOC(=O)c1ccc(NC(=S)NCc2nc(-c3ccc(OC)cc3)no2)c(C)c1 225824289 SIWLCRHZLUAQIE-UHFFFAOYSA-N 426.498 3.717 0 40 IHAB CSCC[C@H](N)C(=O)N1CC[C@H]2O[C@H]3c4cc(Cl)ccc4OC(C)(C)[C@@H]3C[C@H]2C1 257329039 XICXYSHDEOPNHC-BIJUBFLFSA-N 439.021 3.886 0 40 IHAB CCc1ccc(N([C@H](C)C(=O)N[C@H](CC)c2ccc(OC)c(C)c2)S(C)(=O)=O)cc1 260761904 FAWRPBVGZNRFMI-DYESRHJHSA-N 432.586 3.988 0 40 IHAB COC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2cccc3ccccc23)cc1 408663134 GMNASNUVDNVLIC-UHFFFAOYSA-N 448.475 3.917 0 40 IHAB CCCOc1c(Br)cc(C=C(C(=O)OC)C(=O)OC)cc1Br 409044536 GVKZSXLMWXTAPG-UHFFFAOYSA-N 436.096 3.730 0 40 IHAB CCOc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1 409061170 XQUSNTQFAPMSPS-GPENZSBISA-O 448.930 3.755 0 40 IHAB O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2ccccc2c1)N1C2CCC1CC2 634850638 HDRVOVHQZSRBBS-IWAAJCSBSA-N 434.561 3.883 0 40 IHAB CCc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=S)NC[C@@H]3CCCO3)cc2c1 916816 IWUZBHROTPMKGX-NRFANRHFSA-N 436.581 3.541 0 40 IHAB COc1cc(NC(=O)CSc2nnc3c(C)cc4cc(OC)ccc4n23)cc(OC)c1 928518 PQCXIFXLFAICNH-UHFFFAOYSA-N 438.509 3.948 0 40 IHAB CCCN1C(=O)[C@]2(c3ccccc31)c1c(oc3ccccc3c1=O)C(=O)N2CCCOCC 2380789 FFMFCBBDDOGTPD-SANMLTNESA-N 446.503 3.676 0 40 IHAB CN(CC(=O)Nc1ccc2c(c1)OCO2)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 3395747 SQXUFIBJGFLXJA-UHFFFAOYSA-N 443.809 3.597 0 40 IHAB C[C@@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(CC(=O)c2ccc(-c3ccccc3)cc2)C1=O 8825666 XFWPBMCZXVOMON-SANMLTNESA-N 442.471 3.818 0 40 IHAB O=C(Nc1ccc(Br)cc1)C1CCC(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)CC1 9094715 PBVMTJBZCLRUEN-BLUMIEMCSA-N 445.357 3.978 0 40 IHAB C[C@H]1CN(c2ccc(F)cc2)c2nc3c(c(=O)n(C/C=C/c4ccccc4)c(=O)n3C)n2C1 9243262 XSRNXQCXYQOXSY-NADMHLTPSA-N 445.498 3.537 0 40 IHAB CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)c1cc(OC)cc(OC)c1 9303435 KBOYOVAATILWNX-UHFFFAOYSA-N 428.441 3.631 0 40 IHAB O=C(N[C@@H]1CCSc2ccccc21)c1cccc(S(=O)(=O)NCc2ccco2)c1 9375971 MEUUTIWJIDTXFI-LJQANCHMSA-N 428.535 3.725 0 40 IHAB Cc1ccc(-c2cc(-c3nnc(SCC(=O)Nc4c(C)cccc4C)n3N)[nH]n2)cc1 9487850 KSSFOKMQRBGNAF-UHFFFAOYSA-N 433.541 3.705 0 40 IHAB O=C(NCCc1csc2nc(-c3ccc(Cl)cc3)nn12)C(=O)Nc1cccc(F)c1 9569048 QXLDBRHHOTXNOK-UHFFFAOYSA-N 443.891 3.548 0 40 IHAB O=C(C[C@]1(O)C(=O)N(Cc2cccs2)c2ccc(Br)cc21)c1cccnc1 9575517 LOMOPPMYYOELGK-HXUWFJFHSA-N 443.322 3.913 0 40 IHAB COCCn1c(C)cc(C(=O)COC(=O)/C=C/c2c(C)nn(-c3ccccc3)c2C)c1C 9666109 AZYNDLVIPNJFHD-VAWYXSNFSA-N 435.524 3.993 0 40 IHAB O=C(CNc1ccc(NC(=O)C2CC2)cc1)Nc1cccc(I)c1 10942273 OOXNWLOQJCZULV-UHFFFAOYSA-N 435.265 3.690 0 40 IHAB O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1ccc(CN2C(=O)CCC2=O)cc1 10985643 DZXIPYVECJKAIU-UHFFFAOYSA-N 434.521 3.798 0 40 IHAB CCOc1ncc(C2(O)CCN(Cc3cc(Br)cs3)CC2)c(OCC)n1 12186406 NICTWUPAQCBBLL-UHFFFAOYSA-N 442.379 3.582 0 40 IHAB O=C(C[C@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21)NCCC1=CCCCC1 12233007 BLRMLKMWDMGLNQ-SFHVURJKSA-N 435.553 3.626 0 40 IHAB O=S1(=O)CC[C@H](Cc2nc3ccccc3n2C[C@@H](O)c2cccc(Br)c2)C1 12535738 SXSWMWBLFQFSSA-AUUYWEPGSA-N 449.370 3.510 0 40 IHAB Cn1ccnc1[C@@H](NC(=O)c1cccc(I)c1)c1ccc(F)cc1 12577407 HCCBRLPBHBUACP-INIZCTEOSA-N 435.240 3.683 0 40 IHAB CCn1cc(C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCCC2)c(=O)c2ccc(C)nc21 12696018 XYQRLUAPSYDKKN-QHCPKHFHSA-N 448.567 3.690 0 40 IHAB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1cccc(N2CCCC2=O)c1 12806411 CYOCPNRHVNLZQO-UHFFFAOYSA-N 444.329 3.595 0 40 IHAB C[C@@H]1CCc2c(sc3ncn4c(SCC(=O)NCc5cccs5)nnc4c23)C1 12833778 JVLYLWDZYPQPAT-LLVKDONJSA-N 429.596 3.934 0 40 IHAB COc1ccc(NC(=O)COC(=O)c2ccccc2C(=O)N(C)c2ccccc2)cc1OC 13128776 ZQOQYPFAMKHXLM-UHFFFAOYSA-N 448.475 3.776 0 40 IHAB CC[C@H](C)[C@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccc(F)cc1)C(=O)O 13610127 CAMGOSGJNOVRHC-JQOQJDEVSA-N 444.503 3.999 0 40 IHAB COc1ccc(OC)c(NC(=O)[C@H](C)SCc2nc3sc(C)c(C)c3c(=O)[nH]2)c1 15082521 BBDXEWCTPOLFEQ-LBPRGKRZSA-N 433.555 3.879 0 40 IHAB CNc1ncc(CN2CCC[C@@H]2Cn2c(C(F)(F)F)cc(=O)c3cc(C)ccc32)cn1 19219894 JUCNHKJVLZBBBH-MRXNPFEDSA-N 431.462 3.825 0 40 IHAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCO[C@H](c2nc(-c3ccccc3)no2)C1 19374385 XWOVNYVUZXBDRY-INIZCTEOSA-N 439.415 3.518 0 40 IHAB CCCn1nc(C)cc1NC(=O)CCC(=O)N[C@@H]1CC2(CCOCC2)Oc2ccccc21 19525965 FHAFENIVSSJTNF-LJQANCHMSA-N 440.544 3.509 0 40 IHAB CN(C)C(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CCCN(C(=O)Cc2cccnc2)C1 19579196 QJVRSPLFQDZPCK-MHZLTWQESA-N 442.563 3.626 0 40 IHAB CNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCN(C(=O)CCc2ccc(F)cc2)C1 19696025 XUKGSVMREBBMQG-VWLOTQADSA-N 435.499 3.621 0 40 IHAB Cc1cc(C)cc(C2(C(=O)N(C)Cc3ccc([C@H]4CN(C)C[C@@H]4C(N)=O)cc3)CCCC2)c1 19698772 CLWPBTDRZCIMDD-RPBOFIJWSA-N 447.623 3.904 0 40 IHAB CC(C)c1ccc(NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1 19855571 ACBWPNZJPWAVJX-UHFFFAOYSA-N 425.348 3.977 0 40 IHAB COc1ccc(C)cc1N(CC(=O)N(C)C1CCCC1)S(=O)(=O)c1ccc(C)cc1 20050499 PPSBRQKBWUCJOO-UHFFFAOYSA-N 430.570 3.908 0 40 IHAB C[C@H](C(=O)NC(C)(C)C)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3ccccn3)[C@@H](C)[C@@H]2[C@H]1O 20467153 AOFNODJZGVWRKI-DZBILWESSA-N 429.605 3.554 0 40 IHAB biogenic,in-vitro O=C(CCC(=O)N1CCC(c2ccccc2)=N1)OCc1nnc(-c2ccc(Cl)cc2)o1 21332439 STBGYCPUDNYFCU-UHFFFAOYSA-N 438.871 3.850 0 40 IHAB COc1ccccc1CCCNC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 22334812 RNCYCKDOIGULPP-UHFFFAOYSA-N 445.368 3.517 0 40 IHAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1nc(CN2CCCCCC2)cs1 29636592 LKDJHBFCMOXIDT-NRFANRHFSA-N 439.585 3.686 0 40 IHAB COCCNC(=O)c1nn(-c2ccc(F)c(Cl)c2)c2c1Cc1cc(OC)c(OC)cc1-2 32070769 QIHILHLGQOGGBW-UHFFFAOYSA-N 445.878 3.629 0 40 IHAB COc1cc2c(cc1OC)-n1c(S(=O)(=O)Nc3cc(Cl)ccc3Cl)cnc1C2 32611946 JWONFMRYMSYYFH-UHFFFAOYSA-N 440.308 3.901 0 40 IHAB O=C1C[C@@H](N2CCc3c([nH]c4ccccc34)C2)C(=O)N1c1ccc(OC(F)(F)F)cc1 38830252 UBIFFCVIEQPKFB-LJQANCHMSA-N 429.398 3.757 0 40 IHAB biogenic NC(=O)c1ccc(CNC(=O)c2cccnc2Oc2ccc(Br)cc2)cc1 40093432 JRDKZJIIKPZPEP-UHFFFAOYSA-N 426.270 3.665 0 40 IHAB CCc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccc(Cl)cc4)[nH]c(=O)c32)cc1 40399265 NSHBVYZBKWJRDV-MRXNPFEDSA-N 437.887 3.794 0 40 IHAB Cc1cccc(NC(=O)Cn2cc(C(=O)Nc3ccccc3)c(=O)c3ccc(C)nc32)c1 49001982 LBNFSNQZHOTGJA-UHFFFAOYSA-N 426.476 3.904 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CN2CCC(c3nnc(-c4ccco4)s3)CC2)cc1 49363131 RDLOPYWVACQOTN-UHFFFAOYSA-N 440.525 3.793 0 40 IHAB CC1CCC(NS(=O)(=O)CC(=O)N(Cc2cccs2)Cc2cccs2)CC1 60369787 FAAOODAUGDKWOT-UHFFFAOYSA-N 426.629 3.837 0 40 IHAB CCN1c2ccc(C(=O)Nc3ccc(C(=O)OC)cc3)cc2-c2ccccc2S1(=O)=O 64762079 GXACSOUGHMKSCC-UHFFFAOYSA-N 436.489 3.921 0 40 IHAB CCCc1noc(CCCC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)c2ccccc2)n1 72297631 WIXOGXSTCMHEJR-NRFANRHFSA-N 434.540 3.735 0 40 IHAB CCN1CC[C@@]2(CCC1=O)C[C@@H](NC(=O)CCn1ncc3ccccc31)c1ccccc1O2 72327833 LJJIACRSOUJVMC-RLWLMLJZSA-N 446.551 3.838 0 40 IHAB COc1ccc(F)c(CN2CCN(c3c(F)cccc3[C@H](O)c3nccs3)CC2)c1 72340619 AJHHHMSDRLJOPF-NRFANRHFSA-N 431.508 3.834 0 40 IHAB COCCNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCN1Cc1ccnn1C 72370610 QKGFLLQZWVQISB-KRWDZBQOSA-N 426.586 3.608 0 40 IHAB COc1cc(/C=C/C(=O)N2CCC[C@@H](c3nnc(C(F)(F)F)o3)C2)cc(OC)c1OC 77197783 KLROETLENNVQAX-KTRBRXNASA-N 441.406 3.534 0 40 IHAB CCC[C@H](C)[C@@]1(CC)C(=O)N=C(SCC(=O)Nc2ccc3c(c2)OCCO3)N=C1O 95471900 RKQBPGVCDQERIW-ZDUSSCGKSA-N 433.530 3.815 0 40 IHAB Cc1cc(C)cc(NC(=O)C2(NC(=O)C(F)(F)F)CCN(Cc3ccccc3)CC2)c1 95997648 VNKYHPZKZJUISO-UHFFFAOYSA-N 433.474 3.955 0 40 IHAB CC(=O)Nc1ccc(NC(=O)c2ccc(N3C(=O)[C@H]4CC(C)=C[C@@H](C)[C@H]4C3=O)cc2)cc1 100649050 PADVOKDFVJTERK-KBJGYGKASA-N 431.492 3.989 0 40 IHAB CC(=O)c1ccc(N2CCN([C@H]3CC(=O)N(c4ccc(Cl)cc4Cl)C3=O)CC2)cc1 215727487 GGJRTXSAUCMMRQ-FQEVSTJZSA-N 446.334 3.650 0 40 IHAB CCOC[C@]1(C(N)=S)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218659149 SSTZKBZTJDEKRK-AOIWGVFYSA-N 427.950 3.728 0 40 IHAB C[C@H](C(=O)NCc1ccccc1Cl)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 220196812 QIQMXMHRSVPSTD-GFCCVEGCSA-N 434.867 3.830 0 40 IHAB CCCSc1nnc(NC(=O)[C@H](CC)N(c2cccc(C)c2)S(C)(=O)=O)s1 222622998 DSVGTPKBRXLFMK-AWEZNQCLSA-N 428.605 3.532 0 40 IHAB COc1ccc(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NCc2ccco2)cc1OC 222730818 LJZGYSGKNBVGFL-GOSISDBHSA-N 436.508 3.573 0 40 IHAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1CCCN1CCOCC1 222824021 RRTAQKZWMMGAQP-XZOQPEGZSA-N 441.645 3.603 0 40 IHAB CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(C(C)(C)C)cc1 223448327 YOXOBDWIMCVHEP-JOCHJYFZSA-N 426.557 3.925 0 40 IHAB CC[C@H](C(=O)NCCOc1cc(C)cc(C)c1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 224087280 RCPSYBVKGWHZBV-JOCHJYFZSA-N 432.586 3.660 0 40 IHAB CC[C@H](NC(=O)CCc1cc(S(=O)(=O)N(C)C)ccc1OC)c1ccc(C)cc1C 224251891 OPYXZOINLFLUKM-NRFANRHFSA-N 432.586 3.762 0 40 IHAB CC(C)c1ccc(N(CC(=O)NCc2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 224940569 GBYAWTRBTDWIFQ-UHFFFAOYSA-N 428.476 3.911 0 40 IHAB CCCC[C@H](CC)CNS(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1 225120972 GOKXXMFWFXSSDL-LBPRGKRZSA-N 430.983 3.939 0 40 IHAB CC(C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN1C(=O)c2cccc3cccc1c23 225583894 SJPWTLVZNFXWIM-KRWDZBQOSA-N 447.510 3.881 0 40 IHAB O=C(NCc1cccnc1-c1cccs1)c1ccc(S(=O)(=O)N2CCCC2)cc1 225761276 WMPYIUDHUMIFNG-UHFFFAOYSA-N 427.551 3.525 0 40 IHAB Cc1cc(Nc2ccccn2)cc([C@H]2CN(C(=O)c3ccc4c(c3)nc(C)n4C)CCO2)n1 257218695 DEDOMXCOSIXQTA-HSZRJFAPSA-N 442.523 3.937 0 40 IHAB COc1cccc(OC)c1C(=O)N1CCC(c2cncc(Nc3nc(C)cc(C)n3)n2)CC1 257279914 OIRMNORXURUIAU-UHFFFAOYSA-N 448.527 3.664 0 40 IHAB Cc1nc2cc(C(=O)N3CCNC(=O)[C@@H]3Cc3ccc(-c4ccccc4)cc3)ccc2n1C 257330168 XNECUYIMQKWQIJ-VWLOTQADSA-N 438.531 3.732 0 40 IHAB Cc1ccc([C@@H]2[C@@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccc(Cl)cc2)cc1 409052405 DRCOGQVBNAJHDZ-MYPDDRRYSA-O 436.894 3.804 0 40 IHAB Cc1ccc(-n2c(CCc3ccccc3)nnc2SCC(=O)NC[C@@H]2CCCO2)cc1 409212060 PNKGKJKXWPJPLB-NRFANRHFSA-N 436.581 3.748 0 40 IHAB O=C(CN1C(=O)C(=O)c2cc(Br)ccc21)Nc1ccc(Cl)cc1Cl 409371088 FKBVJCGNTRDQQL-UHFFFAOYSA-N 428.069 3.924 0 40 IHAB CCn1cc(S(=O)(=O)Nc2ccc3[nH]c(-c4ccc(F)cc4)nc3c2)cc1C(=O)O 504280440 PZVSKYZXERVOBO-UHFFFAOYSA-N 428.445 3.689 0 40 IHAB O=C([C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccccc1)N1CC[C@@]2(C1)C(=O)Nc1ccccc12 681686014 KWICFIUPDNHUNM-JMAOBZJLSA-N 443.547 3.582 0 40 IHAB COc1ccc2cc(-c3oc4cc(C)oc(=O)c4c3CC(=O)NCCN(C)C)ccc2c1 1547138311 HGIHMSICONMQGN-UHFFFAOYSA-N 434.492 3.744 0 40 IHAB biogenic O=C(c1ccccc1)N1CC[C@@H](C(=O)N2CCO[C@@H](c3ccccc3C(F)(F)F)C2)C1 1615055385 MFXASRNKCXPYQU-YLJYHZDGSA-N 432.442 3.768 0 40 IHAB C=CC(=O)N1CCC(C(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)(c2ccccc2)CC1 1628262671 UBUPRPARIYEBDS-JOCHJYFZSA-N 438.955 3.986 0 40 IHAB COc1ccc(CCN2C(=O)C[C@H]3[C@H](CNC(=O)c4ccc(OC)cc4)[C@@H](C)C[C@H]32)cc1 1775964470 ZCRHSUKBBVSMMA-UYGLSEIWSA-N 436.552 3.549 0 40 IHAB biogenic,in-vitro CC(C)n1cnc(S(=O)(=O)N2CCC(c3ccc4cc(C5CC5)cnc4n3)CC2)c1 1888926492 MOWWYDJZPXHQOT-UHFFFAOYSA-N 425.558 3.853 0 40 IHAB CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCN(c3cccc(C(F)(F)F)c3)CC1)C(=O)C2 1093131 HJLLIXPXDJITJH-FOIQADDNSA-N 444.519 3.553 0 40 IHAB CCOC(=O)[C@@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(Cl)ccc2O1 1399691 BPIGSEKFWFYUKC-INIZCTEOSA-N 449.834 3.878 0 40 IHAB Cn1c(=O)c2c(-c3ccc(C(C)(C)C)cc3)n(-c3ccc4c(c3)OCCO4)cc2n(C)c1=O 2411613 FVCQFSCGZIBRQE-UHFFFAOYSA-N 445.519 3.764 0 40 IHAB Cc1cccc(C)c1NC(=S)NNC(=S)NC(=O)c1ccccc1Br 3281419 PUVQCWDZRIRSRH-UHFFFAOYSA-N 437.388 3.572 0 40 IHAB CCOC(=O)c1c(NC(=O)COC(=O)c2cccnc2OCC)sc2c1CC[C@@H](C)C2 3343208 DKGLZFHWFMHDIA-CYBMUJFWSA-N 446.525 3.639 0 40 IHAB O=C(c1ccc(Br)cc1)N(C/C=C/c1ccccc1)[C@H]1CCS(=O)(=O)C1 8917413 UIQQJKCBRKHTIM-QTWIXLPOSA-N 434.355 3.792 0 40 IHAB C[C@H](NC(=O)CN1C(=O)C(=O)N(CCC2=CCCCC2)C1=O)c1ccc2ccccc2c1 8966121 VWKVKWZULGDCHU-KRWDZBQOSA-N 433.508 3.698 0 40 IHAB CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)COc1ccc(Cl)cc1 9095321 ZGZLRACPLUKBDC-UHFFFAOYSA-N 431.876 3.835 0 40 IHAB CCCn1c(NC(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)nc2ccccc21 9112522 FDGYIKUSCMXOQK-NPMXOYFQSA-N 425.533 3.522 0 40 IHAB CCc1ccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(Cc3cccc(C)c3)c(=O)n2C)cc1 9160860 NPVJKMNVKJITIT-SFHVURJKSA-N 443.551 3.604 0 40 IHAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)C1=NN(c2cc(C)ccc2C)C(=O)CC1 9463258 YUAQHILTHSUMJE-UHFFFAOYSA-N 435.484 3.868 0 40 IHAB Cc1c(Cl)cccc1NC(=O)CSc1ccc(S(=O)(=O)N2CCCC2)cn1 9513132 JAHHVANJGJUXBE-UHFFFAOYSA-N 425.963 3.559 0 40 IHAB CC(=O)Nc1ccc(N2C(=O)c3ccc(C(=O)Nc4nc5ccccc5[nH]4)cc3C2=O)cc1 9633649 TYTRZYZYLVWMIE-UHFFFAOYSA-N 439.431 3.574 0 40 IHAB COc1ccccc1NC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C)cc2)c2ccccc2O1 9699529 GOTLDTBIGQNZIQ-JOCHJYFZSA-N 438.505 3.599 0 40 IHAB COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1ccc(Br)cc1 10119840 UVBXSFOLNAIILJ-UHFFFAOYSA-N 430.287 3.876 0 40 IHAB CC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccc(Br)cc2Cl)cc1 10250673 LISRYHKOXTWVOC-UHFFFAOYSA-N 425.666 3.856 0 40 IHAB COc1cc(OC)c(C2=CCN([C@@H](C)C(=O)NCCc3ccc(F)cc3)CC2)c(OC)c1 11061894 VWGZFHUVLIRDQG-KRWDZBQOSA-N 442.531 3.688 0 40 IHAB C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)CNC(=O)c1sc2ccccc2c1Cl 11498273 XDIKRBALKWNFBN-GUTXKFCHSA-N 436.961 3.911 0 40 IHAB CCOC(=O)[C@@]1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCCN(C(=O)c2cccnc2)C1 12156757 YBJMGVQZGIFEOP-GBXCKJPGSA-N 439.487 3.590 0 40 IHAB C[C@H](c1nccs1)N1C(=O)c2cccc(N3CCN(C/C=C/c4ccco4)CC3)c2C1=O 12163769 GCNXQCCEMRCMGI-NJELEJDNSA-N 448.548 3.929 0 40 IHAB CC(C)N(Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)c2ccccc2O3)o1)C(C)C 12183585 NFVJDMYIVUSEMS-UHFFFAOYSA-N 425.529 3.653 0 40 IHAB Cc1ccc(N2C(=O)[C@@H]3C(=O)Oc4ccc(Br)cc4[C@@H]3C(C)(C)C2=O)cc1 12447774 DJDXMIVSCGGMBJ-SJORKVTESA-N 428.282 3.976 0 40 IHAB COc1ccc(CN2[C@H]3CC[C@@H]2CC(NC(=O)c2cc(OC)c(OC)c(OC)c2)C3)cc1 12480693 RBTQOQLJMOZXDS-IHWFROFDSA-N 440.540 3.646 0 40 IHAB COc1cc2c(cc1OC)CN(C(=O)CN(C)Cc1ccccc1N1CCCCC1)CC2 12595663 JEYSFQJGJLIDMU-UHFFFAOYSA-N 437.584 3.711 0 40 IHAB COc1ccccc1-c1cc(CN2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)on1 12763682 YFSWCESXMKQFNJ-UHFFFAOYSA-N 447.944 3.510 0 40 IHAB CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)c1cc(F)c(Cl)cc1Cl 12822008 IVCZHWVSDBGDIY-UHFFFAOYSA-N 426.275 3.722 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 12982526 KDJFXIWFUIVMRL-QGZVFWFLSA-N 428.432 3.506 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(c3ncnc4sc5c(c34)CCCCC5)CC2)cc1 13040714 JHCAHHNZWUOYSQ-UHFFFAOYSA-N 442.610 3.780 0 40 IHAB COC(=O)C1=C(C)N(c2ccc(C(=O)O)cc2)C(=O)N[C@@H]1c1ccc(OC(F)F)cc1 13060298 DAOPSQXHGTVOCJ-QGZVFWFLSA-N 432.379 3.704 0 40 IHAB O=C(CSc1nnc(NCc2ccccc2)s1)N1CCN(Cc2ccccc2)CC1 13114472 LKXWIYDRUCCMFK-UHFFFAOYSA-N 439.610 3.587 0 40 IHAB Cc1csc(CC(=O)N2CCN(C(=O)c3ccc(OCc4ccccc4)cc3)CC2)n1 13164529 JLZXPTXMULOTHF-UHFFFAOYSA-N 435.549 3.558 0 40 IHAB COc1cccc(N2CCN([C@@H](c3ccc(F)cc3)c3nnnn3C3CCCC3)CC2)c1 13503856 BTNXDIGWNJMBOJ-QHCPKHFHSA-N 436.535 3.848 0 40 IHAB O=C(Nc1cc(F)ccc1F)N1CCN(c2ccc(-c3ccc4c(c3)OCO4)nn2)CC1 13665227 MTKMHDJHZARYRW-UHFFFAOYSA-N 439.422 3.505 0 40 IHAB C[C@@H]1C(=O)N(CC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)C(=O)N1c1ccccc1 14171093 VQSRDBGXYVSVMU-QAPCUYQASA-N 448.504 3.876 0 40 IHAB CCc1nnc2sc(-c3ccc(NC(=S)NC(=O)c4cccc(F)c4)c(C)c3)nn12 14269698 CXGLNQGWEQPCQR-UHFFFAOYSA-N 440.529 3.990 0 40 IHAB CC(=O)Nc1ccc(OC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)cc1 14628141 IVUSKNPDFULMJM-UHFFFAOYSA-N 436.489 3.616 0 40 IHAB Cc1cc(Br)ccc1NCC(=O)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 15332793 CWBHHZMVBKESIA-QGZVFWFLSA-N 443.407 3.518 0 40 IHAB Cc1ccc(Cc2nn3c(SCC(=O)Nc4ccc(C(C)C)cc4)nnc3nc2O)cc1 15882066 FFHFOWOWKIVBAR-UHFFFAOYSA-N 448.552 3.978 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1nnc(-c2ccccc2)s1 18703125 UVSBNOCECHZEOH-UHFFFAOYSA-N 428.539 3.550 0 40 IHAB Cc1ccn(C[C@H](C)C(=O)NC2CCN(c3ncc(-c4ccncc4)c(C(C)C)n3)CC2)n1 19238013 DEBXEPYUTFCKDW-SFHVURJKSA-N 447.587 3.588 0 40 IHAB O=C(c1cc(C2CC2)n[nH]1)N1CCC(c2nc(NC3CC3)ncc2-c2ccccn2)CC1 19402676 RVXVILLCUQGEJG-UHFFFAOYSA-N 429.528 3.733 0 40 IHAB CCCN1CCN(C(=O)c2ccn(C)n2)C[C@@H](Cc2cccc(-c3cccs3)c2)C1=O 19503089 HIYCQGFHVIGWEZ-HXUWFJFHSA-N 436.581 3.702 0 40 IHAB CCc1cc(C(F)(F)F)nc([C@@H]2CCN(C(=O)CCc3nc4ccccc4n3C)C2)n1 19522552 KTWXPGZDPWBVQH-CQSZACIVSA-N 431.462 3.893 0 40 IHAB CNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCN(Cc2cc(OC)cc(OC)c2)C1 19591670 DQNOQNGKMYIVKY-HHHXNRCGSA-N 445.563 3.947 0 40 IHAB Cc1nn(C)cc1CN1CCC[C@H]1c1nc(C)c2c(n1)N(Cc1ccccc1)C(=O)CC2 19740648 YIBZGEAPZUXCIL-QFIPXVFZSA-N 430.556 3.643 0 40 IHAB CC(C)(C)c1ccc(C[S@@](=O)[C@H]2CCCC[C@@H]2OC(=O)CCN2CCOCC2)cc1 20458821 DSUICHSCVSACPM-PWWNZBMUSA-N 435.630 3.810 0 40 IHAB Cc1cccc(C(=O)Nc2ccc(C)c(OCc3cc(=O)n4c(ncn4C(C)C)n3)c2)c1 21797084 UHZVITCCSUFMMG-UHFFFAOYSA-N 431.496 3.920 0 40 IHAB CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)cc1 24208055 PLZIBLXXWWXLER-NRFANRHFSA-N 425.529 3.837 0 40 IHAB CC(C)Cn1c(CCC(N)=O)nnc1S[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl 24991098 MVIYALLBFBMMIO-NSHDSACASA-N 444.388 3.778 0 40 IHAB CC(C)[C@H](NC(=O)CN1CCN(C(=O)c2cccc(OC(F)F)c2)CC1)c1ccccc1 25272860 IOGDKJJIUCTLNR-QFIPXVFZSA-N 445.510 3.559 0 40 IHAB COc1ccc([C@@H](CNC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)N(C)C)cc1 28932345 ZOMANXYAYBGNLA-IEBWSBKVSA-N 433.961 3.571 0 40 IHAB C[C@H]1CN(CCCNC(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)C[C@@H](C)O1 29981458 WGAWOMNNSSMRSY-OYRHEFFESA-N 432.568 3.828 0 40 IHAB CC[C@@H](c1nnc(S[C@H](C)C(=O)Nc2cc(C)on2)n1Cc1ccccc1)N(C)C 32776101 XOUBLVYCGKYJGQ-WBVHZDCISA-N 428.562 3.755 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](CC(C)C)c3ccccc3)C2)cc1 38753697 ZMCCKURQSMBBIZ-OFNKIYASSA-N 444.597 4.000 0 40 IHAB O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 38870016 SJZLVFSKRGLGTE-TZIWHRDSSA-N 439.531 3.585 0 40 IHAB CCOC(=O)Cc1c(C(=O)OCC)nnc2c(-c3cccc(Cl)c3)c(C(C)C)nn12 40385047 NAZRACQMIQWDGF-UHFFFAOYSA-N 430.892 3.850 0 40 IHAB Cc1cc2nc(COC(=O)c3cccc(NC(=O)c4cccc(F)c4)c3C)cc(=O)n2o1 41089627 CVXMBOWKZGFIBY-UHFFFAOYSA-N 435.411 3.653 0 40 IHAB COc1ccc(CNC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)c(OC)c1OC 44882760 WHZQSCLVSBTPGZ-GOSISDBHSA-N 432.948 3.894 0 40 IHAB COc1cccc(CN(c2cc(F)cc(F)c2)S(=O)(=O)c2ccc3nnc(C)n3c2)c1 49408598 YNHZVBOOEPABBM-UHFFFAOYSA-N 444.463 3.720 0 40 IHAB Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)NCCC3=CCCCC3)c2=O)cc1C 57491032 RPFJOTPGSZZGMJ-UHFFFAOYSA-N 437.565 3.837 0 40 IHAB CCOC(=O)CCN(Cc1cccnc1)Cn1nc(Cc2ccc(OC)cc2)oc1=S 58003835 KIIQCRRVMAOAGJ-UHFFFAOYSA-N 442.541 3.613 0 40 IHAB CCc1nnc2c(=O)n(CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)c3ccccc3n12 64871596 ZPSMLQRAXUEZAK-UHFFFAOYSA-N 449.820 3.918 0 40 IHAB Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)N[C@@H](c2nnc3ccccn23)C(C)C)c1 72310114 GNSFFPOBRIKEIQ-LJQANCHMSA-N 435.557 3.862 0 40 IHAB COc1ccc(Cl)cc1NC(=O)N1CCc2nc(NC(=O)[C@@H]3CCCO3)sc2C1 77192054 CBUUKGDPEAPCFL-HNNXBMFYSA-N 436.921 3.513 0 40 IHAB Cc1c(C(=O)N[C@@H](C)c2noc(Cc3ccccc3)n2)nnn1-c1cccc2cnccc12 79025346 SZXRXNNZCXHCPR-HNNXBMFYSA-N 439.479 3.589 0 40 IHAB Cc1ccnc(-n2cc(S(=O)(=O)N3CCCCC[C@H]3C[C@H](O)c3ccccc3)cn2)c1 95462038 NUXYFCRFKKCRCF-UNMCSNQZSA-N 440.569 3.633 0 40 IHAB COc1ccc(CCC(=O)N[C@@H](CC(=O)O)c2ccc(SC)cc2)c(OC)c1OC 95463950 OGHJCJFWSIDMRS-KRWDZBQOSA-N 433.526 3.699 0 40 IHAB CSCC[C@@H](Nc1nc(C)cc(C)n1)C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 95479939 WSIODMUYZBLDLP-LJQANCHMSA-N 449.020 3.791 0 40 IHAB Cc1ccc(NC(=O)[C@H]2C[C@]3(CO2)CN(C(=O)c2ccc(F)cc2)c2ccccc23)cn1 96143976 YYTYLIZUKACTGN-RCZVLFRGSA-N 431.467 3.855 0 40 IHAB COc1ccc(CCn2c(=O)[nH]c3ccccc3/c2=N\C(=O)Nc2ccccc2F)cc1 101114087 JERUMQPOKYLSJK-XAYXJRQQSA-N 432.455 3.853 0 40 IHAB CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2)=N[C@@H]1c1ccccc1OC 103828599 XEMDLGGLCAORMO-OAQYLSRUSA-N 439.537 3.905 0 40 IHAB CCCCOc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)cc1OCC 106763414 MOVKXMIWQBUEHO-RGEXLXHISA-N 432.542 3.923 0 40 IHAB O=C(C[C@H]1CSc2nc3c(c(=O)n21)CCC3)N1CCCC[C@H](c2ccc(F)cc2)C1 206670518 ICXCTIACGSAUFO-WMZOPIPTSA-N 427.545 3.704 0 40 IHAB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](CC)N(c2ccc(C)cc2)S(C)(=O)=O)c1 219099558 QGSRMHOMTYDUMN-HXUWFJFHSA-N 432.542 3.663 0 40 IHAB O=C(NCCCN1CCOCC1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 219961822 UZYQCXDUZPWZHJ-UHFFFAOYSA-N 435.612 3.593 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@H](C)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 220354127 XTXOWUVCGADHMC-AWEZNQCLSA-N 438.933 3.618 0 40 IHAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(F)cc1 222589243 LOVXUJFAYJNNSD-HSZRJFAPSA-N 438.474 3.730 0 40 IHAB Cc1ccc(OC[C@H](C)NC(=O)CCCN(c2cccc(C)c2C)S(C)(=O)=O)cc1 222637422 QGBXFCRMMWAGCJ-IBGZPJMESA-N 432.586 3.742 0 40 IHAB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2C(=O)OC)o1 223036531 JMOGCBJXTHQBAE-RTWAWAEBSA-N 437.521 3.747 0 40 IHAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 223729275 BDXGYBFIAMRZBH-QGZVFWFLSA-N 430.448 3.897 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(Cc3ccncc3)cc2)cc1C(=O)NC(C)C 224226171 KKVTUOISTWYJFU-UHFFFAOYSA-N 439.537 3.620 0 40 IHAB COc1ccc(CN(C(=O)CCc2ccc3c(c2)OCO3)[C@@H](C)C(=O)NCC(C)C)cc1 224480127 ZKSQGJDBTWRGSG-SFHVURJKSA-N 440.540 3.546 0 40 IHAB CCOC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Br)cc1 224724397 REDZZYOMWHBLSQ-UHFFFAOYSA-N 426.332 3.824 0 40 IHAB Cc1ccc(N(CC(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)S(C)(=O)=O)cc1C 225138754 AULQWCNGHDXQCM-UHFFFAOYSA-N 447.582 3.665 0 40 IHAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2C)cc1NC(C)=O 225315506 MQNXNWNUEZAWOZ-VXKWHMMOSA-N 435.553 3.873 0 40 IHAB CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)COc1cccc(C)c1C 225469330 XZWRGMFYMJUJNI-MRXNPFEDSA-N 433.346 3.608 0 40 IHAB CC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)c1ccccc1C 225501494 ANWDNSUWMKTNCL-JOCHJYFZSA-N 430.570 3.672 0 40 IHAB CCOc1ccc2c(c1)OC1(CCN(S(=O)(=O)Cc3ccc(F)cc3)CC1)CC2=O 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3.507 0 40 IHAB Cc1cnc(Nc2cccc([C@@H]3CN(C(=O)CN4CCc5ccccc5C4)CCO3)n2)s1 643550634 LJGRHWWFFZSJRE-NRFANRHFSA-N 449.580 3.548 0 40 IHAB CN1CCOc2ccccc2CCCC[C@@]2(CN(C(=O)/C=C/c3ccccc3)CCO2)C1=O 643557493 WRSAXOQMRDSFIA-BTUVCSFDSA-N 448.563 3.561 0 40 IHAB Cc1ccccc1[C@@H]1C(=O)NCCN1C(=O)c1cc2c(F)cc(Br)cc2[nH]1 680613379 QULULIJSQDHXQJ-GOSISDBHSA-N 430.277 3.691 0 40 IHAB Cc1n[nH]c(C)c1CC(=O)N1CC2(CO[C@@H]3c4cc(Cl)ccc4OC(C)(C)[C@H]3C2)C1 1848356998 DDCCKDQTHVGGMQ-GHTZIAJQSA-N 429.948 4.000 0 40 IHAB COc1ccc(N2C(=O)C[C@H](N(CCc3ccccc3)C(=O)c3ccccc3)C2=O)cc1 650574 ZBXCMYNTZTWTQX-QHCPKHFHSA-N 428.488 3.712 0 40 IHAB CC1=C(C(N)=O)[C@@H](c2ccc(Br)cc2)N2NC(c3ccc(Cl)cc3)=NC2=N1 940659 HLIHVWCJPKFPPP-MRXNPFEDSA-N 444.720 3.540 0 40 IHAB CCOc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@H]1c1cccc(OC)c1OC 1297245 CXPLOZFSAUNNHM-IBGZPJMESA-N 427.526 3.534 0 40 IHAB COC[C@@H](C)n1c(SCC(=O)c2[nH]c(C)c(C(C)=O)c2C)nc2ccccc2c1=O 2644706 HEQNTBGJFLLUCZ-GFCCVEGCSA-N 427.526 3.726 0 40 IHAB 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Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCCN3CCCC3)ccc2Cl)cc1 13668687 BUIZMVILIOYUBX-UHFFFAOYSA-N 435.977 3.665 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)C2CCCC2)CC3)c(OC)c1 13696327 JOLYIYPFBFCQAA-UHFFFAOYSA-N 430.526 3.584 0 40 IHAB CC[C@@H](C(=O)Nc1ccc(OC)c(OC)c1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714243 BUQBJBYHPILLJO-INIZCTEOSA-N 426.922 3.541 0 40 IHAB COC(=O)[C@@H](CC(C)C)NC(=O)CCN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc12 13955624 UOXXBXZFBJUJPO-ISKFKSNPSA-N 447.535 3.807 0 40 IHAB C[C@H](SCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C(=O)Nn1cnc2ccccc21 14236864 ZNNARAIGTFKUGG-LBPRGKRZSA-N 439.566 3.605 0 40 IHAB Cc1ccc2nc(COc3ccc(NC(=O)[C@@H](C)Oc4ccccc4)cc3)cc(=O)n2c1 15865513 MGFOZCQYLJRSET-GOSISDBHSA-N 429.476 3.988 0 40 IHAB Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N4CCN5CCC[C@@H]5C4)c3N2)cc1 15931279 GQFMRZHRGJJHOH-QRQLOZEOSA-N 433.478 3.772 0 40 IHAB CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CC3)cc2)cc1Br 15950317 NPYGWVLZUVIWEG-UHFFFAOYSA-N 439.331 3.997 0 40 IHAB NS(=O)(=O)c1ccc(CCNCc2ccccc2OCc2ccccc2Cl)cc1 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40 IHAB O=C(Cc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)NCC(=O)c2ccccc2)cc1 20094938 VKIYDDHNMHEHRY-UHFFFAOYSA-N 442.924 3.682 0 40 IHAB Cc1ccccc1N(CC(=O)NCCc1ccc(F)cc1)S(=O)(=O)c1ccccc1 20418696 BEMDMGKSXLPLAC-UHFFFAOYSA-N 426.513 3.688 0 40 IHAB COc1ccc([C@@H](C)NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)cc1OC 22526242 OCJLTCAOMBHFTB-MRXNPFEDSA-N 440.521 3.996 0 40 IHAB COc1ccc(NC(=O)[C@H](C)Oc2ccccc2C)cc1S(=O)(=O)N1CCCCC1 22532294 FSJUXLTXQVDUFW-KRWDZBQOSA-N 432.542 3.584 0 40 IHAB COc1ccc(C)cc1NC(=O)CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O 24608165 PPKGMTWNZCSLBA-UHFFFAOYSA-N 426.469 3.957 0 40 IHAB COc1ccc2cc(CN(C)C(=O)CN(C)S(=O)(=O)c3ccc(C)c(C)c3)ccc2c1 24834230 NAPPFMHEGYZSPQ-UHFFFAOYSA-N 440.565 3.744 0 40 IHAB O=C1CS[C@@H](c2cn(-c3ccccc3)nc2-c2ccccc2)N1CCCN1CCOCC1 25357881 YQFNBSXXNRBVMP-VWLOTQADSA-N 448.592 3.836 0 40 IHAB COc1ccc([C@H]2CCCN2C(=O)C[C@H](NC(N)=O)c2ccccc2Cl)cc1OC 25613751 VRUPRGGKKPXEFL-ZWKOTPCHSA-N 431.920 3.820 0 40 IHAB Cc1ccc([C@H](CNC(=O)c2cc(=O)c3ccc(Br)cc3o2)N(C)C)cc1 28290765 AHYVTZLJZOVDBA-KRWDZBQOSA-N 429.314 3.897 0 40 IHAB O=C(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)c1cccnc1N1CCOCC1 30013085 RCUAJLBNYBFHIH-QFIPXVFZSA-N 426.520 3.961 0 40 IHAB O=C(c1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)OCCO2)N1CCCCC1 32937592 MBWMUXLMQJVQSS-UHFFFAOYSA-N 436.917 3.538 0 40 IHAB Cn1c2ccc(F)cc2c2nnc(SCC(=O)NC34CC5CC(CC(C5)C3)C4)nc21 35313346 LDZFWVBPTJHBJL-UHFFFAOYSA-N 425.533 3.833 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](C)N2CCC[C@H](C(F)(F)F)C2)ccc1C 35600908 GUGFCFFOYZJOAD-HOTGVXAUSA-N 449.539 3.627 0 40 IHAB C[C@@H](NS(=O)(=O)c1ccccc1)[C@H](c1cccs1)N1CCN(c2ccccc2)CC1 36370267 PJYXONGMKTZDLZ-AUSIDOKSSA-N 441.622 3.978 0 40 IHAB COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(Cn2nc(SC)sc2=S)CC1 36393898 DLJFCCXGPLBNBS-AWEZNQCLSA-N 445.035 3.539 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](CC(C)C)c3ccccc3)C2)cc1 38753701 ZMCCKURQSMBBIZ-REWPJTCUSA-N 444.597 4.000 0 40 IHAB CC(C)c1cc(C(=O)N2CCN(Cc3nc(-c4cccc(C(F)(F)F)c4)no3)CC2)n[nH]1 40145282 XKSVXKROZJLUCR-UHFFFAOYSA-N 448.449 3.560 0 40 IHAB COC(=O)c1ccc(N2CCCC2)c(NC(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)c1 40152266 XMLHDMYJIRYPPC-NRFANRHFSA-N 428.508 3.637 0 40 IHAB NC(=O)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(-c4ccccc4Cl)nc3c2)cc1 40156326 DJWXHYAWCXQXJU-UHFFFAOYSA-N 426.885 3.783 0 40 IHAB Cc1cc(OCC(=O)Nc2ccc(Br)cc2F)nc(N2CCC[C@@H](C)C2)n1 44168449 ASHXIWIPGVWMAU-GFCCVEGCSA-N 437.313 3.940 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccncc2)c2cccc(Cl)c2C)cc1 44802820 GCHNSGVEDSTTLT-UHFFFAOYSA-N 443.956 3.864 0 40 IHAB COc1ccccc1NC(=O)C1=C(C)Nc2c(C(N)=O)cnn2[C@H]1c1ccc(Cl)cc1 49547881 CTSVMNLGYQEORV-IBGZPJMESA-N 437.887 3.572 0 40 IHAB COc1c(Cl)cccc1[C@@H]1NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]1C(=O)c1cccs1 57531307 JUKGMNYYUYWCGB-MKBNYLNASA-N 434.823 3.514 0 40 IHAB O=S(=O)(Cc1csc(COc2ccccc2)n1)Cc1nc(Cc2ccccc2)no1 58006591 HDWBAELJFBXBQY-UHFFFAOYSA-N 441.534 3.811 0 40 IHAB O=C([C@@H](c1ccccc1)S(=O)(=O)Cc1cc(Cl)c2c(c1)OCCCO2)N1CCCC1 58379758 PMSLHLNXUKQHCG-OAQYLSRUSA-N 449.956 3.780 0 40 IHAB COc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CCCN(c2ccc(-n3ccnc3)nn2)C1 62022865 ARXCAEXVBZAKGI-AWEZNQCLSA-N 446.433 3.545 0 40 IHAB CCOc1ccc(-c2cc3c(=O)n(CCC(=O)N[C@H](C)c4ccccc4)ccn3n2)cc1 67261226 MYUIATABENQWMK-GOSISDBHSA-N 430.508 3.829 0 40 IHAB COc1cc(OC)c(NC(=O)CN2C(=O)C(c3ccc(F)cc3)=NC2(C)C)cc1Cl 71769035 ZNHIQDTYBUHKJD-UHFFFAOYSA-N 433.867 3.502 0 40 IHAB COc1ccc2c(c1)N[C@@]1(COC3(CCN(C(=O)c4cscn4)CC3)C1)c1cccn1-2 72327316 OSZJMEUWHHVTDW-QHCPKHFHSA-N 436.537 3.659 0 40 IHAB Cc1cc2nc([C@H]3CCCN(S(=O)(=O)c4cccc(F)c4)C3)cc(C(F)(F)F)n2n1 72340907 XRDHUTBSGQPOTI-ZDUSSCGKSA-N 442.438 3.764 0 40 IHAB COCCNC(=O)c1sc2ccccc2c1[C@H]1CCN(Cc2cccnc2N(C)C)C1 72352308 AXUQSGFJFQWRLM-KRWDZBQOSA-N 438.597 3.728 0 40 IHAB Cc1cccc(Nc2ccc([C@@H]3CCCN(S(=O)(=O)c4c(C)noc4C)C3)nc2)n1 72353440 BAPJBWHXLGXMRA-QGZVFWFLSA-N 427.530 3.702 0 40 IHAB CC(C)(C)CC(=O)N1CCO[C@@](Cc2cccc(-c3cccnc3)c2)(C(=O)N2CCCC2)C1 72389343 NIJXDRLNLHICHL-HHHXNRCGSA-N 449.595 3.947 0 40 IHAB CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc(OC)c(OC)c(OC)c1 89977226 AXPCQQSIPRHGRX-IBGZPJMESA-N 428.529 3.545 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)c2c(C)ccc(S(=O)(=O)NCCC(C)C)c2C)cc1 95116949 XOAGYZBWDHZYAC-UHFFFAOYSA-N 438.615 3.761 0 40 IHAB COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)C[C@H]1CCOc2ccccc21 95398236 ZBVDFDBQCXLTSM-XLIONFOSSA-N 439.508 3.649 0 40 IHAB CC(C)C[C@H](NC(=O)[C@@H](C)NC(=O)c1ccc(Br)s1)C(=O)OC(C)(C)C 95415934 UGWRTGMLPGKKNX-NEPJUHHUSA-N 447.395 3.502 0 40 IHAB C[C@H]1CSc2ccc(Br)cc2[C@H]1NCC(=O)Nc1ccccc1C(N)=O 95995956 BFLSPJCRCZULNB-VOJFVSQTSA-N 434.359 3.559 0 40 IHAB COc1ccc(/C=C/C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)c2nc[nH]n2)c(OC)c1 96011956 NMAKNGPFKDXDNC-XSBJJCPUSA-N 432.402 3.760 0 40 IHAB CN1CCN(C(=O)C[C@@H]2CC3(CCN(C(=O)CC(C)(C)C)CC3)c3ccccc32)CC1 96242276 ZPVRPVQRAYOTOC-HXUWFJFHSA-N 425.617 3.634 0 40 IHAB C[C@H]1CCCCN1C(=O)c1ncn2c(C3CCN(C(=O)c4ccsc4)CC3)ccnc12 96267246 OUDOVLROIWMFBL-INIZCTEOSA-N 437.569 3.825 0 40 IHAB CCC(=O)N1CCc2nc3cc([C@@H]4CCCCN4Cc4cccs4)nn3c(O)c2C1 100233971 ACAIVDVRZXRNHL-IBGZPJMESA-N 425.558 3.518 0 40 IHAB COc1ccc(OC)c([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccccc2)c1 102734993 VQCOQBCTHBUVPH-XPWALMASSA-N 448.450 3.894 0 40 IHAB COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H](C(=O)C(C)(C)C)N2c4ccccc4C=C[C@H]32)cc1 103536012 DWVUYDLNFHGLKI-GXRSIYKFSA-N 430.504 3.700 0 40 IHAB CN1c2ccccc2C(c2ccccc2)=C(C(=O)Nc2ccc3c(c2)OCO3)S1(=O)=O 219178951 IGSKKOVJXOJYAS-UHFFFAOYSA-N 434.473 3.593 0 40 IHAB Cc1ccc(OCCNC(=O)[C@H](C)N(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 220437600 OEHSOATZKPNBBA-AWEZNQCLSA-N 445.368 3.652 0 40 IHAB COc1ccc(N(CCCC(=O)Nc2cccc(Br)c2)S(C)(=O)=O)cc1 222598094 TXTBKBKOZLNJHY-UHFFFAOYSA-N 441.347 3.643 0 40 IHAB COC(=O)c1cn(C(=O)[C@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)c2ccccc12 222599636 BHEALZRNDVMNSP-AWEZNQCLSA-N 448.928 3.885 0 40 IHAB Cc1cccc(CNC(=O)COc2ccc(S(=O)(=O)N[C@@H](C)c3ccccc3)cc2)c1 222642699 SGEAUCRZKCDJPC-IBGZPJMESA-N 438.549 3.730 0 40 IHAB COc1ccc(N(C)C(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 222678438 LAVUYUMEHDQUIF-UHFFFAOYSA-N 426.494 3.538 0 40 IHAB CC[C@@H](NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C)c1ccc2c(c1)CCCC2 223078064 CVNGJQCJEVPDJT-JOCHJYFZSA-N 447.576 3.585 0 40 IHAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1C1CC1 223174439 CKIMAFZHCHAHPC-GOTSBHOMSA-N 439.629 3.530 0 40 IHAB COCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)COc1ccccc1 223365152 ZEMLBULGHLOZCN-RUZDIDTESA-N 432.520 3.598 0 40 IHAB COc1ccc(Br)cc1S(=O)(=O)NCCOc1ccc(C)c(Cl)c1 224189778 IRIDSIUTSUHWFX-UHFFFAOYSA-N 434.739 3.777 0 40 IHAB COc1cccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(S(N)(=O)=O)cc3)o2)c1 224902012 FZFVVACNPMMFSG-UHFFFAOYSA-N 449.488 3.917 0 40 IHAB COc1ccc(CNC(=O)[C@@H](C)Oc2nn(-c3ccccc3)cc2Br)cc1 227161514 QHSYJVOIKRKRQN-CQSZACIVSA-N 430.302 3.727 0 40 IHAB Cc1cc(Nc2nc(C)c(C)s2)cc([C@H]2CCN(CC(=O)NCc3ccccn3)C2)n1 257212585 CEBRQVUPBVQQJZ-SFHVURJKSA-N 436.585 3.708 0 40 IHAB Cc1cccc(OC(C)(C)C(=O)N2CCO[C@H](c3ccc(Nc4ncccn4)cn3)C2)c1C 257223436 DXIVQJYQYJNNFI-QFIPXVFZSA-N 447.539 3.990 0 40 IHAB O=C(c1ccccc1Cn1cccn1)N1CCC[C@]2(C[C@@H](Oc3ccccc3F)CO2)C1 257239494 HPMXNKAMLQMJEL-NLFFAJNJSA-N 435.499 3.913 0 40 IHAB COc1ccc(-c2cccc([C@@H]3CN(C(=O)Cc4c(C)nc5ccccn45)CCO3)n2)cc1 257260217 LBVTUJGLXDCPHM-DEOSSOPVSA-N 442.519 3.856 0 40 IHAB Cc1ccc(C)c(N([C@H](C)C(=O)Nc2nnc(-c3ccccc3)s2)S(C)(=O)=O)c1 260805354 BIPNRWVSKRDEGV-OAHLLOKOSA-N 430.555 3.615 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(F)cc2)C1 408595883 VWVNRJZHAZSSKY-ZDUSSCGKSA-N 426.897 3.527 0 40 IHAB CCCOC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2cccc(C)c2)cc1 408669064 WBDVEDFMICVNMR-UHFFFAOYSA-N 440.496 3.853 0 40 IHAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccncc3)c(C)c2)cc1C 408674936 NCLXOAHQFHGJGN-UHFFFAOYSA-N 439.537 3.503 0 40 IHAB CCc1ccc(CNC(=O)C(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)cc1 408710170 RBRGWJAVBQPXHD-UHFFFAOYSA-N 429.520 3.742 0 40 IHAB COc1ccccc1NC(=O)CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 409237968 JPOJKTJQOBKKFV-UHFFFAOYSA-N 438.549 3.788 0 40 IHAB CC(=O)N(CCc1c[nH]c2ccccc12)C1(C(=O)NCc2cccnc2)CCSCC1 575443521 BVCLHOQFLAYLHO-UHFFFAOYSA-N 436.581 3.536 0 40 IHAB O=C(N1CCOC[C@@H](Cc2cccc3[nH]ncc23)C1)C1(Cc2ccccc2)CCOCC1 585261767 IOKGVNIWIMSQLT-NRFANRHFSA-N 433.552 3.620 0 40 IHAB O=C1NCCN(C(=O)c2ccc(F)c3ccncc23)[C@@H]1c1ccc(OC(F)(F)F)cc1 1515706642 JIDRAYACPJMDKP-GOSISDBHSA-N 433.361 3.586 0 40 IHAB COC[C@H](NC(=O)Nc1nnc(C2CCOCC2)s1)c1cccc(C(F)(F)F)c1 1670517295 KIOBFUTYIXEWEO-AWEZNQCLSA-N 430.452 3.960 0 40 IHAB COc1ccc(S(=O)(=O)N2CN(CCc3ccccc3)c3nc4ccccc4nc32)cc1 2410961 JSWLJZNLAYHLBY-UHFFFAOYSA-N 446.532 3.854 0 40 IHAB O=C(C1CCN(S(=O)(=O)c2cccs2)CC1)N1CCC(Cc2ccccc2)CC1 2631102 ABGKTDCXJZAVLM-UHFFFAOYSA-N 432.611 3.630 0 40 IHAB C[C@H](OC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 3551654 ZFMJEWABBQTYEH-INIZCTEOSA-N 429.436 3.639 0 40 IHAB Cc1cc(C)c2[nH]c(=O)c(CN(C[C@H]3CCCO3)S(=O)(=O)c3ccc(F)cc3)cc2c1 6300405 PLJDWLDWLKRWAV-HXUWFJFHSA-N 444.528 3.654 0 40 IHAB CC(C)(O)[C@H]1O[C@H]2CC[C@@]3(C)[C@@](O)(CC[C@@H]4Cc5c([nH]c6ccccc56)[C@@]43C)C2=CC1=O 8552281 ACNHBCIZLNNLRS-GNNNNLEASA-N 435.564 3.957 0 40 IHAB COc1ccc(S(=O)(=O)[C@@H](CNC(=O)c2cccc(Cl)c2)c2cccnc2)cc1 9006527 AJUBDSADCDCSRJ-FQEVSTJZSA-N 430.913 3.689 0 40 IHAB CCOC(=O)C1CCN(C(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c2)CC1 9097228 HVSYMIHVBVZIHP-UHFFFAOYSA-N 444.553 3.520 0 40 IHAB O=C(NCCN1CCN(c2ncnc3sc(-c4ccccc4)cc23)CC1)c1ccco1 9126646 JVSJRTPCXBEXRJ-UHFFFAOYSA-N 433.537 3.503 0 40 IHAB O=C(CNc1ccccc1C(=O)NCc1ccccc1)Nc1ccc(N2CCOCC2)cc1 9131015 AVPDDSVXNSPOTN-UHFFFAOYSA-N 444.535 3.504 0 40 IHAB CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(CC)C(=S)N2Cc2ccc(F)cc2)cc1 9358770 LWGZQLJNSMQDIE-FQEVSTJZSA-N 443.544 3.961 0 40 IHAB O=S(=O)(Nc1ccc2cn[nH]c2c1)c1cc(Br)ccc1Br 9492889 WWSLGNHJIHOWLL-UHFFFAOYSA-N 431.109 3.889 0 40 IHAB O=C(COc1ccc2c(=O)c(-c3ccccc3)coc2c1)NCc1ccc2c(c1)OCO2 9576348 NTDOAQPRIOWQCU-UHFFFAOYSA-N 429.428 3.884 0 40 IHAB biogenic COc1cc(=O)n(-c2ccc(C)cc2)nc1C(=O)Nc1ccc(Br)cc1C 9660330 KRPSHPQVILNZGU-UHFFFAOYSA-N 428.286 3.873 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)c3c(C)nn(C)c3C)cc2)cc1C 9912776 AZKKLSZMFJNBSN-UHFFFAOYSA-N 427.526 3.698 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2)Cc2ccccc2)cc1C 9972054 MTHFOZBKGKCAJB-UHFFFAOYSA-N 438.549 3.511 0 40 IHAB O=C(NCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 10008679 DIUVPDQBWOISQC-UHFFFAOYSA-N 434.989 3.631 0 40 IHAB CCOC(=O)c1ccc(C)c(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)c1 10445766 UMMZMSVMOFGSRS-UHFFFAOYSA-N 430.526 3.517 0 40 IHAB C[C@@H](OC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)C(=O)N1CCCc2ccccc21 11284298 YIQBUFDQCKPPBT-QGZVFWFLSA-N 438.499 3.589 0 40 IHAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(c2ccc(-c3ccccc3)nn2)CC1 11695330 GGNFJLXCDSGMTJ-UHFFFAOYSA-N 448.470 3.673 0 40 IHAB COc1ccc(NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2cccnc2)cc1 11696057 NTAAQMZFVFFVIZ-UHFFFAOYSA-N 445.928 3.573 0 40 IHAB CC(C)(C)C(=O)COC(=O)c1ccccc1SCC(=O)Nc1ccc2c(c1)OCO2 11698548 QTLADHRHDQGXOP-UHFFFAOYSA-N 429.494 3.918 0 40 IHAB COc1ccccc1O[C@@H](C)C(=O)N1CCC[C@H](c2nc3ccccc3cc2C(N)=O)C1 12219715 KQLROBGJWUHMCV-WMZOPIPTSA-N 433.508 3.516 0 40 IHAB CCc1cc(C(F)(F)F)n2nc([C@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)cc2n1 12230506 YZYLGICRUKILAC-MRXNPFEDSA-N 442.438 3.975 0 40 IHAB COC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 12416569 NIXBYPLLRWVKOV-FGGAIWKESA-N 432.545 3.532 0 40 IHAB COc1ccc(-c2noc([C@@H]3C[C@H](NC(=O)Nc4ccc(Cl)cc4)CN3C)n2)cc1 12529917 FQFDYIODHMIBHD-WMZOPIPTSA-N 427.892 3.966 0 40 IHAB biogenic,in-vitro CCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)CNCc2ccco2)ccc1Cl 12566802 XCZXOBDXXOWYCW-UHFFFAOYSA-N 447.944 3.877 0 40 IHAB COc1ccc(N(Cc2cccs2)C(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)cc1 12568746 ZTLUPUJZILJBDG-WAIKUNEKSA-N 441.553 3.791 0 40 IHAB CN(Cc1ccccc1Cl)C(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 12778481 CJOZKJCMCWAGAC-UHFFFAOYSA-N 435.977 3.856 0 40 IHAB COc1ccc(-c2noc(CSc3nnc(-c4ccccc4F)n3C)n2)c(OC)c1 12914335 WFBIDRZDUXIELD-UHFFFAOYSA-N 427.461 3.981 0 40 IHAB Cc1nc(N2CCN(CC(=O)N3CCCCC3)CC2)c2cc(-c3ccccc3)sc2n1 12918549 FUBPPZUSYKOSJQ-UHFFFAOYSA-N 435.597 3.801 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1CN(C)[C@H](C)C(=O)N1CCN(Cc2ccccc2)CC1 13114855 VSAJWMYBECEFSF-HSZRJFAPSA-N 445.611 3.654 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCC(=O)c1ccc(C)cc1 13133772 SYJUTQOLOQAAGR-UHFFFAOYSA-N 444.553 3.780 0 40 IHAB Cn1c(CNC(=O)C2(c3ccccc3F)CCCC2)nnc1SCc1cccnc1 13565269 YXWNEUFMGDUCNC-UHFFFAOYSA-N 425.533 3.770 0 40 IHAB CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc3ccccc3c2)cc1 13566777 SHBBKLFVCGBIPI-QFIPXVFZSA-N 437.521 3.590 0 40 IHAB COc1ccccc1NC(=O)COc1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 13584747 DTALNXACZDAWIA-UHFFFAOYSA-N 426.494 3.538 0 40 IHAB C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCN(C)c2nc3ccccc3nc21 14180582 CUFQPPYLUZKPMD-ZDUSSCGKSA-N 427.302 3.643 0 40 IHAB Cc1cnc(C(=O)NCCN2C(=O)S/C(=C\c3ccc(Cl)cc3Cl)C2=O)cn1 14226447 BUSSYRLOKBRMEP-UUASQNMZSA-N 437.308 3.558 0 40 IHAB Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@H](c1cccnc1)N1CCc2ccccc2C1 15882611 XTFCFRMZUCGCCK-HSZRJFAPSA-N 448.954 3.898 0 40 IHAB CCCCOc1cccc(C(=O)N(Cc2cccc(OC)c2)[C@H]2CCS(=O)(=O)C2)c1 16752821 UEOPAZRXPIIFIG-FQEVSTJZSA-N 431.554 3.704 0 40 IHAB O=C(Nc1ccccc1F)N1CCC2(CC1)NC(=O)N(Cc1ccc(Cl)cc1)C2=O 17177966 XBJWVJITLNSWIK-UHFFFAOYSA-N 430.867 3.598 0 40 IHAB CC(C)CNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCN(C(=O)c2ccccn2)C1 19447276 ADEHEULDIGGVGU-MHZLTWQESA-N 442.563 3.991 0 40 IHAB CNCc1nc(C)c2c(n1)N(CCc1cn(C(=O)C3CCCC3)c3ccccc13)C(=O)CC2 19703463 IHTUGSJTNAGVFG-UHFFFAOYSA-N 445.567 3.811 0 40 IHAB CC(=O)N[C@H]1C[C@@H](c2ccccc2NC(=O)c2ccc(-n3cnnc3)cc2)O[C@@H](C(C)C)C1 19712209 XBUVTHUQKHCELL-FOVJLYNBSA-N 447.539 3.900 0 40 IHAB O=c1[nH]c2ccc(S(=O)(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2o1 19936510 DIBPMKCJZCEXMT-UHFFFAOYSA-N 426.294 3.960 0 40 IHAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3)cc2)n1 20457039 PBLUEQJSIBKQAN-AWEZNQCLSA-N 446.916 3.645 0 40 IHAB Cc1cc2nc(C)c(CCC(=O)NCc3ccc(COCC(F)(F)F)cc3)c(C)n2n1 21522224 DBTZHMGKXHINTB-UHFFFAOYSA-N 434.462 3.982 0 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Cc1ccc(C)c(OCCNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c1 223993291 KWAXCXHQJJUGJQ-UHFFFAOYSA-N 445.368 3.571 0 40 IHAB CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(C(C)(C)C)cc1 224038821 VUULIALYSBDFDV-GOSISDBHSA-N 426.557 3.925 0 40 IHAB COc1ccccc1CN(C)C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2F)c1 224161703 AIYYOQIXCQJUKF-UHFFFAOYSA-N 442.512 3.932 0 40 IHAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-n3cnnc3)c2C)c1 224523856 RLUODKJZRPBCAQ-FCHUYYIVSA-N 445.552 3.589 0 40 IHAB Cc1ccc(-c2nnc(NC(=O)CCCN(c3ccc(F)cc3)S(C)(=O)=O)s2)cc1 225856532 FQIDGAPBYCSECL-UHFFFAOYSA-N 448.545 3.838 0 40 IHAB CCn1cc(S(=O)(=O)N2CCC(c3cc(Nc4ccccn4)cc(C)n3)CC2)c(C)n1 257203918 ASEUXNRWXUGCFZ-UHFFFAOYSA-N 440.573 3.622 0 40 IHAB CO[C@@H]1CCC[C@H](C(=O)N2CCC[C@H]([C@@H]3C[C@H](C(F)(F)F)n4nc(C)cc4N3)C2)C1 257239941 HRLKIRRGBAJMAK-IECFSIQFSA-N 428.499 3.923 0 40 IHAB CC(C)NC(=O)c1cc([C@H]2CC[C@H](CNC(=O)CN3CCCC3)CC2)nc2ccccc12 257247231 IYBTXPMPHQXEBQ-MXVIHJGJSA-N 436.600 3.859 0 40 IHAB 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CCS(=O)(=O)N1CCC(NC(=O)N[C@H](C)c2ccccc2Oc2ccccc2)CC1 510357179 WNHLJJVOVQFWRF-QGZVFWFLSA-N 431.558 3.653 0 40 IHAB O=C(COc1ccccn1)N1CCOCCOc2ccc(F)cc2Cc2cccc(c2)C1 643582138 SGARLTBNBUOUOK-UHFFFAOYSA-N 436.483 3.628 0 40 IHAB Cc1nc2ccccc2n1CC(=O)N1[C@H](Cc2cccc(F)c2)C[C@@H]2NC(=O)CCCC[C@H]21 2037796007 NEZFLCOIGATLTI-JCTONOIOSA-N 448.542 3.755 0 40 IHAB Cc1cc(OC[C@@]2(O)CCCN(C(=O)c3n[nH]c4c3CCCC4)CC2)cc(C)c1Cl 2037912682 UPZJGNDVFGZCPX-HSZRJFAPSA-N 431.964 3.995 0 40 IHAB COc1ccccc1NC(=S)N(CCN(C)C)Cc1cc2c(C)cc(C)cc2[nH]c1=O 880661 SWLMSFYAECMWEL-UHFFFAOYSA-N 438.597 3.914 0 40 IHAB CC[C@@H](C)OC(=O)Cn1cnc2sc(C(=O)Nc3ccc(C)cc3C)c(C)c2c1=O 958424 MIGBIZPOOUFMHB-CQSZACIVSA-N 427.526 3.977 0 40 IHAB COc1ccc(OC)c([C@@H]2CC(c3ccc(Br)cc3)=NN2S(C)(=O)=O)c1 1244147 KDIHKOJVKFRYSX-KRWDZBQOSA-N 439.331 3.577 0 40 IHAB Cc1cccc2cc(CN(Cc3cccnc3)C(=O)c3ccc(F)cc3)c3nnnn3c12 1376843 PLDGGCBCRSCUTR-UHFFFAOYSA-N 426.455 3.963 0 40 IHAB O=C(NC1CCCC1)c1cccc(NC2=C(Cl)C(=O)N(CCc3ccccc3)C2=O)c1 1785740 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O=C1N=C(O)[C@]2(Cc3cc(C(F)(F)F)ccc3N3CCOC[C@@H]32)C(=O)N1c1ccccc1 8695454 ZPPJXXSXZFDYCE-DYESRHJHSA-N 445.397 3.576 0 40 IHAB COc1ccc(N2C[C@H](CNC(=O)NCc3cccc4ccccc34)OC2=O)cc1OC 8868442 HVZYMIVMNRMDFQ-IBGZPJMESA-N 435.480 3.682 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(NC[C@@H](c2ccc(OC)cc2)N2CCCCC2)nc1 9120189 LLZNMVSXIGGXMF-QFIPXVFZSA-N 446.617 3.760 0 40 IHAB Cc1cc(C)cc(O[C@H](C)C(=O)N(Cc2ccc(Cl)cc2)[C@H]2CCS(=O)(=O)C2)c1 9345949 MMVLCRIUIHOPNC-XLIONFOSSA-N 435.973 3.940 0 40 IHAB Cc1ccc(S(=O)(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)C[C@@H]2CCCO2)cc1 9450283 JBKIOVFYFWCRIL-FQEVSTJZSA-N 426.538 3.515 0 40 IHAB COC(=O)c1cc(NC(=S)NCCc2c[nH]c3ccc(C)cc23)cc(C(=O)OC)c1 9481878 SBCZUXCPOXMKHV-UHFFFAOYSA-N 425.510 3.579 0 40 IHAB COC(=O)c1c(NC(=O)Cc2ccc3c(c2)OCO3)sc2c1CC(C)(C)NC2(C)C 9520934 UUYAGFWBCPEWLL-UHFFFAOYSA-N 430.526 3.604 0 40 IHAB CC[C@@](C)(C(=O)NC1CCCC1)N(C(=O)CNC(=O)c1ccccc1)c1ccc(C)cc1 9834879 BJHOWFXNJBNWLJ-SANMLTNESA-N 435.568 3.986 0 40 IHAB COc1cn(-c2ccccc2)nc1C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 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40 IHAB COc1ccc(-c2ccc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)nn2)cc1OC 13659448 RJELNPRRNQIIAL-UHFFFAOYSA-N 438.915 3.777 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)[C@H](CC)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716174 KHYPDTSMPCTKOZ-FQEVSTJZSA-N 432.542 3.663 0 40 IHAB Cn1c(CCCNC(=O)c2ccc(Cl)nc2)nc2cc(NC(=O)C(C)(C)C)ccc21 13731914 ATYLOAOKZMTHEY-UHFFFAOYSA-N 427.936 3.969 0 40 IHAB C[C@H](OC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)c1ccc(F)c(F)c1 14022584 YVNHPXLRMAKGOO-LBPRGKRZSA-N 439.370 3.782 0 40 IHAB COc1cc(C(C)=O)ccc1OCC(=O)N(C)CCOc1ccc(Br)cc1 14245814 MNKNZINXVBLCQT-UHFFFAOYSA-N 436.302 3.577 0 40 IHAB COc1ccc(Cl)cc1[C@H](OC(=O)CN1C(=O)c2ccccc2C1=O)C(F)(F)F 14246108 ZKFCDPRDLBKLPZ-INIZCTEOSA-N 427.762 3.791 0 40 IHAB O=c1nc2s/c(=C/c3ccc(-c4ccccc4Cl)o3)c(=O)n2nc1-c1ccccc1 16730820 LZHDDYBJJUGHDG-LDADJPATSA-N 433.876 3.639 0 40 IHAB COc1ccccc1-c1noc(COC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)n1 18773507 ZKDSVHNWZCIGPC-UHFFFAOYSA-N 436.251 3.525 0 40 IHAB CC(C)(C)C(=O)N1CCC[C@H]1c1nc(O)c2c(n1)CCN(C(=O)CC1CCCCC1)C2 19081362 NSBXEFACTNZODR-IBGZPJMESA-N 428.577 3.747 0 40 IHAB CNC(=O)[C@@]1(Cc2ccccc2-c2cccc(C)c2)CCN(C(=O)Cc2ccccn2)C1 19235486 MXXOSAMOKCYTNE-HHHXNRCGSA-N 427.548 3.807 0 40 IHAB COc1ccc(CC(=O)N[C@@H]2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)cc1OC 19461530 ONMFSBITNLGOCB-LJQANCHMSA-N 432.524 3.928 0 40 IHAB COc1cccc([C@H]2CN(C(=O)C3CCCC3)[C@@H]3CCN(C(=O)c4cccnc4)C[C@H]23)c1 19566287 WMUULUYYAIUJEY-WXFUMESZSA-N 433.552 3.737 0 40 IHAB COc1cccc(CN2CCN(C)C(=O)[C@@H](Cc3ccccc3-c3ccncc3)C2)c1OC 19589689 JXYLPQXRZOCAHM-QHCPKHFHSA-N 445.563 3.899 0 40 IHAB CNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCN(Cc2c(OC)cccc2OC)C1 19591666 ZQMQMNZXPNHFBR-HHHXNRCGSA-N 445.563 3.947 0 40 IHAB O=S(=O)(c1ccc(F)cc1)N1CCC[C@H]1c1cc(CCOc2ccccc2F)[nH]n1 19703678 MIGBZFGVWCVNTM-FQEVSTJZSA-N 433.480 3.835 0 40 IHAB Cc1ccc(F)cc1NC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1 20019419 CIXVKVAERRQRLH-UHFFFAOYSA-N 428.485 3.630 0 40 IHAB CCC[C@]1(C(=O)OCC)N[C@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 20150651 ASKYGVKMRJNGRU-BOCITWAFSA-N 434.536 3.856 0 40 IHAB O=C(NCc1ccccc1-n1ccnc1)c1ccc(NS(=O)(=O)c2cccs2)cc1 20451135 YSTQYZBQIVMOJG-UHFFFAOYSA-N 438.534 3.665 0 40 IHAB CC[C@@H](NC(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O)c1ccccc1 20462065 AWRRZVYHGRGLMA-GOSISDBHSA-N 439.375 3.791 0 40 IHAB COCCNC(=O)CC[C@]12CC[C@](C)(O)C[C@H]1C(C)(C)C[C@@H]2NC(=O)C1CCCCC1 20464665 RIFSFVGMIOPEAU-WNLYKICVSA-N 436.637 3.562 0 40 IHAB biogenic,in-vitro CC(C)Oc1ccc(N(CC(=O)N2CCC(Cc3ccccc3)CC2)S(C)(=O)=O)cc1 22388340 GXONAKSGCYHMGT-UHFFFAOYSA-N 444.597 3.721 0 40 IHAB C[C@H](NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 22535401 RVGCJNVMNWDUHB-IBGZPJMESA-N 440.540 3.937 0 40 IHAB CC(C)(C)C1CCC(OC[C@@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)CC1 22870685 OHWUNHLRNJKUGO-ORFBVSJDSA-N 432.605 3.515 0 40 IHAB Cc1noc(C)c1COc1ccc(CC(=O)NC[C@@H](c2ccccc2)N2CCOCC2)cc1 23099802 JJWWIQBYTBPPON-VWLOTQADSA-N 449.551 3.603 0 40 IHAB CCCC1(CCC)NC(=O)N(CC(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)C1=O 23866874 LZCDAHPKBNMPEQ-UHFFFAOYSA-N 442.541 3.842 0 40 IHAB CC(=O)Nc1ccc(NC(=O)CN2c3ccc(F)cc3-c3ccccc3S2(=O)=O)cc1 24608181 PTUKWLWRYNUXHK-UHFFFAOYSA-N 439.468 3.599 0 40 IHAB CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)c1 25063489 OQOYMVGTJOEFJW-UHFFFAOYSA-N 441.534 3.785 0 40 IHAB CCOc1c(Br)cc(C(=O)NC[C@H](c2ccsc2)N(C)C)cc1OC 25329013 LWHKJDYATIBUCI-OAHLLOKOSA-N 427.364 3.951 0 40 IHAB O=C([C@H](Sc1nnc(Cc2cccs2)n1C1CC1)c1ccccc1)N1CCOCC1 26683007 UYYMUZGRMQKJII-HXUWFJFHSA-N 440.594 3.958 0 40 IHAB O[C@H](COCCOc1ccccc1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 26781629 DHRGVKAFAYGIMT-SANMLTNESA-N 446.591 3.850 0 40 IHAB COc1cc(Cl)c(C)cc1NS(=O)(=O)c1ccc(Br)c(C(=O)O)c1 28913863 GFFXWPSNCILTRU-UHFFFAOYSA-N 434.695 3.919 0 40 IHAB O=C(CSc1nc2c(n1-c1ccccc1)CCCC2)Nc1ccc2c(c1)NC(=O)CO2 29926725 PAWDARPHWNILRR-UHFFFAOYSA-N 434.521 3.813 0 40 IHAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c1 30856491 KIEQPRNTLVZSPC-QGZVFWFLSA-N 440.525 3.609 0 40 IHAB COc1ccc(S(=O)(=O)N(C)c2ccsc2C(=O)NCc2cccc(OC)c2)cc1 33141758 RPKWPHRBKQDJAJ-UHFFFAOYSA-N 446.550 3.520 0 40 IHAB Cc1ccc(S(=O)(=O)c2c(C(=O)N3CCSCC3)cnc3ccccc23)cc1F 33249403 QWXHPJDNTSYDFJ-UHFFFAOYSA-N 430.526 3.704 0 40 IHAB Cc1ccc(Cn2nc(C)c(C(=O)NCC(=O)N3CCCc4ccccc43)c2Cl)cc1 48311186 JEVCBTWZZIYUCC-UHFFFAOYSA-N 436.943 3.911 0 40 IHAB Cc1ccc(Cn2cc(-c3noc(C(=O)Nc4cccc(Br)c4)n3)nn2)cc1 49410308 YWBJMTWPIJAFGH-UHFFFAOYSA-N 439.273 3.700 0 40 IHAB CCc1ccc(NC(=O)Cn2c(=O)n(-c3ccc(F)c(C)c3)c(=O)c3sccc32)cc1 57494271 DFJWZZLXJADZAP-UHFFFAOYSA-N 437.496 3.863 0 40 IHAB COC(=O)[C@@H](NS(=O)(=O)c1cccc(Cl)c1C)c1ccc(Br)cc1 58049075 MHMMDBMUVREQPG-HNNXBMFYSA-N 432.723 3.604 0 40 IHAB O=C(Nc1ccc(Oc2cc(Cl)ccc2Cl)c(F)c1)C(=O)N1CCC(O)CC1 62583640 DPKADKJEMPRUGK-UHFFFAOYSA-N 427.259 3.847 0 40 IHAB COc1cccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2-c2ccc(F)cc2)c1 67237309 SJUHTAZRBIGJHH-UHFFFAOYSA-N 438.484 3.901 0 40 IHAB Cc1oc2c(c1C(=O)N1CCNC(=O)[C@@H]1Cc1ccc(-c3cccnc3)cc1)CCCC2 72351865 HIZOXXBHPMTQRP-QFIPXVFZSA-N 429.520 3.712 0 40 IHAB CN(C)C(=O)c1sc2ncccc2c1[C@H]1CN(C(=O)c2cn(C)c3ccccc23)CCO1 72383131 JIBGVOSLFURYKT-LJQANCHMSA-N 448.548 3.704 0 40 IHAB CC(=O)Nc1ccc(NC(=O)CCCNS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 89980269 GITMOONHVIOCLR-UHFFFAOYSA-N 444.340 3.649 0 40 IHAB CCCC(=O)OCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@@H]1Cc1ccccc1Cl 95705315 VIDNIPPIRMVWBT-INIZCTEOSA-N 435.904 3.667 0 40 IHAB C[C@@H]1CCCCN1C(=O)c1cnc(-c2noc3cc(N4CCN(C)CC4)ccc23)s1 96154607 RJQOVQJWMRLUOR-OAHLLOKOSA-N 425.558 3.718 0 40 IHAB CCC(=O)N1CCc2nc3cc([C@@H]4CCCCN4Cc4csc(C)c4)nn3c(O)c2C1 100234011 CSBWHRZLIYVQKQ-FQEVSTJZSA-N 439.585 3.827 0 40 IHAB Cc1ccc(C(=O)N2CCC[C@H]2c2cc3nc(C4CCN(C(C)C)CC4)cc(O)n3n2)cn1 100727927 FULUDKNPLZDANB-QFIPXVFZSA-N 448.571 3.703 0 40 IHAB COc1ccc(C(=O)COc2ccccc2N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1 100838220 KZYGSDRQJMDQRQ-MEAHRRIZSA-N 429.472 3.514 0 40 IHAB S=C(NCc1ccc(CNC(=S)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1)N[C@H]1C[C@H]2CC[C@@H]1C2 100999097 ZKKNNLRBCRXHKQ-LYSZKAAZSA-N 442.698 3.992 0 40 IHAB COc1cccc(NC(=O)C(=O)[C@H](C(=O)c2ccccc2F)[C@H]2OC(=O)c3ccccc32)c1 102922840 XVKZYGZINCKONL-REWPJTCUSA-N 447.418 3.753 0 40 IHAB COC(=O)[C@H]1C[C@@]2(O)[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1c1ccc(=O)oc1 118928497 FCBMOZHERSIGKF-VHDNMMRJSA-N 444.568 3.641 0 40 IHAB COc1ccc(CCNc2ccc(C(=O)O)cc2S(=O)(=O)NCc2ccccc2)cc1 217473049 VAUXUJDOBIAKSW-UHFFFAOYSA-N 440.521 3.527 0 40 IHAB COc1ccc([C@H](CC(C)C)NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 219978172 GHUVKQWXQXEBTF-QFIPXVFZSA-N 430.570 3.997 0 40 IHAB CCc1ccc(N([C@H](C)C(=O)Nc2ccccc2Br)S(C)(=O)=O)cc1 220264790 HMGIPTRKFUDXAF-CYBMUJFWSA-N 425.348 3.805 0 40 IHAB CCOc1ccc(N([C@H](CC)C(=O)Nc2ccc(OC)c(Cl)c2)S(C)(=O)=O)cc1 220669803 RFZXOBDIIKNKGD-GOSISDBHSA-N 440.949 3.931 0 40 IHAB CCOc1ccc(CNC(=O)[C@@H](CC)N(c2ccc(F)c(Cl)c2)S(C)(=O)=O)cc1 222510561 XBHSXGJBYUZJJH-LJQANCHMSA-N 442.940 3.739 0 40 IHAB CCCc1ccc(OCCNC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)cc1 224753942 XWUJCFUXOWSYCC-UHFFFAOYSA-N 436.549 3.520 0 40 IHAB C[C@@H](CNC(=O)CCCN(c1ccc(F)c(Cl)c1)S(C)(=O)=O)c1ccccc1 224808011 HXICETHFGBLJPI-HNNXBMFYSA-N 426.941 3.945 0 40 IHAB Cc1nc(C)c(C(=O)N2CCO[C@H](c3cc(CCOc4ccc(F)c(F)c4)[nH]n3)C2)s1 257219295 DGIGYFPIEYLSFK-IBGZPJMESA-N 448.495 3.596 0 40 IHAB Cc1cc(Cc2cccc(C(F)(F)F)c2)cc([C@H]2CN(C(=O)c3cnn(C)c3)CCO2)n1 257223703 DYOIOSZVOXZSQS-OAQYLSRUSA-N 444.457 3.947 0 40 IHAB Cc1cc(Nc2cccc([C@@H]3CN(C(=O)CCN4CCCc5ccccc54)CCO3)n2)no1 257326904 WZBQQKMTTGIBTF-QFIPXVFZSA-N 447.539 3.864 0 40 IHAB COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)CC23CC4CC(CC(C4)C2)C3)c1 408568102 HWRVEXIEJDAZAR-UHFFFAOYSA-N 425.573 3.770 0 40 IHAB CCn1c(Cc2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1cccc(OC)c1 408637428 KHGLNUHDTHHVPV-UHFFFAOYSA-N 442.541 3.645 0 40 IHAB CC(C)COC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(F)cc2)cc1 408648850 CNLLUEAKTPWTAL-UHFFFAOYSA-N 444.459 3.539 0 40 IHAB COc1ccccc1NC(=O)CCC(=O)OCC(=O)Nc1cc(Cl)ccc1Cl 408663919 PRMYFCNIVKUBKG-UHFFFAOYSA-N 425.268 3.903 0 40 IHAB COc1ccc(OC)c(NC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H]([C@H]6C[C@H]65)[C@H]4C3=O)cc2)c1 408673731 UMURVGJWRQOQKY-XEAGOBSMSA-N 444.487 3.514 0 40 IHAB CCNS(=O)(=O)c1cc(C(=O)NC(c2ccccc2)c2ccccc2)ccc1OCC 408701280 VJVQFNQCWPPCDX-UHFFFAOYSA-N 438.549 3.903 0 40 IHAB COc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCCC2=CCCCC2)cc1 408710218 SNSTYWDQJQSEJA-UHFFFAOYSA-N 435.524 3.570 0 40 IHAB Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)NCc1ccc(Cl)cc1Cl 409392971 UHYPEMMMAYJWSR-UHFFFAOYSA-N 445.368 3.684 0 40 IHAB O=C(COc1ccc(Cl)cc1)N1CCN(C(=O)C2CC(c3ccc(F)cc3)C2)CC1 644653030 PKPJNHUVZYUTRZ-UHFFFAOYSA-N 430.907 3.723 0 40 IHAB COc1ccc([C@@H](CC(=O)NC[C@H]2OCCc3ccccc32)c2oc(C)cc(=O)c2O)cc1 1547139721 YUFUOABAMGLQSW-FYYLOGMGSA-N 449.503 3.615 0 40 IHAB biogenic C=CC(=O)NCc1ccc(C(=O)N2CCOc3c(Cl)cc(Br)cc3C2)cc1 1558714211 IEDTWPFEGUXTOZ-UHFFFAOYSA-N 449.732 3.940 0 40 IHAB Cc1cccc(Cn2c(SCc3ccc(Cl)cc3)nc3c2c(=O)[nH]c(=O)n3C)c1 839501 JXKBKZWTQVGIAK-UHFFFAOYSA-N 426.929 3.726 0 40 IHAB biogenic,in-vitro CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2 912399 AXDAXWMTUGIFQI-UHFFFAOYSA-N 440.525 3.687 0 40 IHAB O=C(CCNS(=O)(=O)c1ccccc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 2228190 FRUDEVOUVZSFAH-UHFFFAOYSA-N 442.924 3.878 0 40 IHAB CCOc1ccc([C@H]2C(C(=O)OCC(C)C)=C(C)N=C3S[C@@H](C)C(=O)N32)cc1OC 2463323 LZDIDLGNXREJNR-LIRRHRJNSA-N 432.542 3.942 0 40 IHAB CC1CCC2(CC1)N=C(c1ccccc1)C(=O)N2CC(=O)Nc1ccc2c(c1)OCCO2 2705704 FYMWRODSHOYYHT-UHFFFAOYSA-N 433.508 3.634 0 40 IHAB CCOC(=O)c1c(NC(=O)COC(=O)c2cccc(N(C)C)c2)sc2c1CC[C@H](C)C2 3315314 WPWSSEILPQSLFS-AWEZNQCLSA-N 444.553 3.911 0 40 IHAB O=C1N[C@@H]2CCN(C(=O)c3ccc(-c4ccccc4)cc3)[C@@H]2C(=O)N1c1ccc(F)cc1 4278010 BRAZJYRUJARNOJ-YADHBBJMSA-N 429.451 3.832 0 40 IHAB biogenic,in-vitro O=C(CCn1c(=O)oc2cc(Cl)ccc21)NCc1cc(Cl)c2c(c1)OCCCO2 8745068 BWNPWHKTYLGQAR-UHFFFAOYSA-N 437.279 3.769 0 40 IHAB CC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)/C=C/c2ccc(Cl)cc2)CC1 8831664 DNSNQTSZBTYZOO-DHZHZOJOSA-N 442.972 3.535 0 40 IHAB O=C(COc1ccc(Cl)cc1Cl)N(Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 8917665 LVVBKMZJKPYXBO-INIZCTEOSA-N 446.327 3.727 0 40 IHAB COc1ccc2c(c1OC)C(=O)N1[C@H]2SC(C)(C)[C@H]1C(=O)N[C@@H](C)c1ccccc1 8952636 XIGLTUDNIPUDGN-VCHGGQOGSA-N 426.538 3.930 0 40 IHAB biogenic CCCCc1ccc(NS(=O)(=O)c2cccc(C(=O)NC3CCC(O)CC3)c2)cc1 9056589 PTMSXTCJUFBQDG-UHFFFAOYSA-N 430.570 3.863 0 40 IHAB CCOc1ccc([C@H]2Nn3c(CC)nnc3S[C@@H]2C(=O)Nc2ccc(F)cc2)cc1 9197462 PKSKICXSGIJVHW-MOPGFXCFSA-N 427.505 3.776 0 40 IHAB Cc1ccccc1[C@H]1CC(=O)c2c(C)nc(N3CCN(C(=O)c4ccco4)CC3)nc2C1 9287260 DZPIGENKDLNJGV-GOSISDBHSA-N 430.508 3.562 0 40 IHAB CCOC(=O)c1c(NC(=O)c2cccc(OC)c2)sc2c1CCN(C(=O)OCC)C2 9347585 KDNBYASJGLVEGV-UHFFFAOYSA-N 432.498 3.700 0 40 IHAB Cc1c(NC(=O)[C@H](C)OC(=O)c2ccc3ccccc3c2O)c(=O)n(-c2ccccc2)n1C 9497542 FLIBMVXJWVVDKF-INIZCTEOSA-N 445.475 3.527 0 40 IHAB CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(Br)o2)sc(C)c1CC 9633258 URHCBKPRBVKCRD-UHFFFAOYSA-N 444.303 3.947 0 40 IHAB Cn1c(SCc2nnc(-c3ccccc3Br)o2)nnc1-c1ccncc1 9669565 FBBLREAQKGZXPN-UHFFFAOYSA-N 429.303 3.982 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(F)cc2)Cc2ccccc2)cc1 9873031 JOZXEVNGGRTXIT-UHFFFAOYSA-N 426.513 3.641 0 40 IHAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 9884965 KHCGRDKVGYNVGO-AWEZNQCLSA-N 449.623 3.904 0 40 IHAB C[C@@H](Sc1n[nH]c(=O)n1CCc1ccccc1)C(=O)Nc1ncc(Cl)cc1Cl 9951905 UMFVKBKQTACIIX-LLVKDONJSA-N 438.340 3.635 0 40 IHAB Cc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Br)cc2)cc1Cl 10127199 VJBYGMUYCZJXNR-NSHDSACASA-N 431.739 3.716 0 40 IHAB Cc1cc(C(=O)Nc2ccc(OCC(F)(F)F)cc2)cc(S(=O)(=O)N(C)C)c1C 10979675 QCSCCUNYZAYQPG-UHFFFAOYSA-N 430.448 3.747 0 40 IHAB CCCNC(=O)CSc1nc(-c2ccc(C)cc2)[nH]c1S(=O)(=O)c1ccccc1 11695911 APWHMICYVCVBTN-UHFFFAOYSA-N 429.567 3.836 0 40 IHAB O=C(Nc1nc(CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)cs1)c1ccco1 11796776 ZSHGYULHARJIKN-UHFFFAOYSA-N 444.944 3.923 0 40 IHAB O=C(CCC1CCCCC1)NC(NCCCN1CCOCC1)(C(F)(F)F)C(F)(F)F 12363158 ZKGXHPCGOHTZGD-UHFFFAOYSA-N 447.464 3.596 0 40 IHAB CCOC(=O)c1[nH]c(C)c(C(=O)O[C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)c1C 12513414 JHUMNVRQSQXOGK-QGZVFWFLSA-N 441.528 3.983 0 40 IHAB COc1cccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3C(F)(F)F)CC2)c1 12523429 MBGPUHSIMRVCKY-UHFFFAOYSA-N 434.867 3.878 0 40 IHAB O=C(OCc1cccnc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCC1 12539663 QOWRGWKITSOEAL-UHFFFAOYSA-N 443.569 3.604 0 40 IHAB COCCNc1nnc(SCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)s1 12756394 JPDQSPYNAQHCAL-UHFFFAOYSA-N 446.602 3.810 0 40 IHAB COc1cc(C(=O)Nc2cc(Cl)ccc2-n2cncn2)cc(OC)c1Br 12768609 QFQKYQPRXJUXJH-UHFFFAOYSA-N 437.681 3.953 0 40 IHAB COCCn1c(SCc2nc(-c3ccco3)no2)nc2sc3c(c2c1=O)CCCC3 12821743 UTGWNZUDOKCTRK-UHFFFAOYSA-N 444.538 3.919 0 40 IHAB C[C@@H](c1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3)N1CCN(C(=O)c2ccccc2)CC1 12923383 CBCJIHARBCVYJJ-CVEARBPZSA-N 436.581 3.628 0 40 IHAB O=C(O)CCNS(=O)(=O)c1ccc(NC(=O)c2ccc(C3CCCCC3)cc2)cc1 12941057 MLYSETYNDSHXOC-UHFFFAOYSA-N 430.526 3.740 0 40 IHAB O=C(/C=C/c1cccc2cccnc12)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 13008697 NASJOYNKCJDBND-DRUFCSCSSA-N 440.503 3.692 0 40 IHAB COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CCN2C(=S)NC2CC2)cc1OC 13719953 IFUSZGUTQBEVSQ-JOCHJYFZSA-N 428.554 3.705 0 40 IHAB O=C(OCc1nc2ccccc2n1C(F)F)c1cccc(S(=O)(=O)N2CCCC2)c1 14121106 AYOGBMPKLKQOHS-UHFFFAOYSA-N 435.452 3.573 0 40 IHAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(CCNS(C)(=O)=O)cc1 14171414 ZBWLQEIJTDOKHK-UHFFFAOYSA-N 444.475 3.838 0 40 IHAB CN(C)C1(CNC(=O)Cn2cnc3scc(-c4ccc(F)cc4)c3c2=O)CCCCC1 14189631 AFHYHVLSGMTVCV-UHFFFAOYSA-N 442.560 3.645 0 40 IHAB O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 15577852 WICJSVKSKZHIKW-ZDUSSCGKSA-N 430.423 3.884 0 40 IHAB Cn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1cccc2nsnc12 19077383 XTVKLUPWXVVOLL-UHFFFAOYSA-N 446.945 3.783 0 40 IHAB CCc1ncc(CN2CC[C@@](Cc3ccc(-c4cccnc4)cc3)(C(=O)N(C)C)C2)cn1 19523318 NXERKRHNRITEEV-SANMLTNESA-N 429.568 3.624 0 40 IHAB COCc1ccc(OC)c(CN2CCC[C@@H](c3ncc(C(=O)N4CCCC4)c(C)n3)C2)c1 19762977 UNIQAUQVVVOMSM-HXUWFJFHSA-N 438.572 3.556 0 40 IHAB CCc1ccccc1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 20007771 GNWSFGCLJARVBM-JOCHJYFZSA-N 426.513 3.916 0 40 IHAB O=S(=O)(c1ccccc1)c1nnn2c1nc(NCc1ccc(F)cc1)c1ccccc12 20355912 ZHALQBUIGNYEQC-UHFFFAOYSA-N 433.468 3.862 0 40 IHAB COc1ccc(NC(=O)N[C@H]2C[C@@H](c3nc(-c4ccc(Cl)cc4)no3)N(C)C2)cc1 20464169 GRFDBFTWOLFCAX-WMZOPIPTSA-N 427.892 3.966 0 40 IHAB biogenic,in-vitro COc1ccc2sc(N(CCN3CCOCC3)C(=O)CCc3ccccc3)nc2c1 20742993 YPENNYWQDPALMP-UHFFFAOYSA-N 425.554 3.603 0 40 IHAB O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N1CCCCC1 22274348 GHAQRPOOTRPSQE-UHFFFAOYSA-N 437.359 3.657 0 40 IHAB CCCOc1ccc(N(CC(=O)Nc2ccc(OC)c(Cl)c2)S(C)(=O)=O)cc1 22387941 YCKORVQXYKJGSO-UHFFFAOYSA-N 426.922 3.542 0 40 IHAB O=C(Cn1nc(-c2cccs2)oc1=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1 23012054 LWQRCGLHWMIZPE-UHFFFAOYSA-N 435.465 3.848 0 40 IHAB Cn1c(=O)c2ccccc2n2c(COc3ccc(C(=O)c4ccc(F)cc4)cc3)nnc12 24697151 CNFWZKYSCCCPTH-UHFFFAOYSA-N 428.423 3.530 0 40 IHAB CCOc1ncccc1C(=O)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 24921377 DHZDWYLEYQISLC-UHFFFAOYSA-N 426.517 3.701 0 40 IHAB CCCCc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 27760562 RIJROPKESIJFAT-UHFFFAOYSA-N 430.570 3.621 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2nc(-c3ccco3)sc2C)cc1 30561118 DCMJNAAZOHHLOS-UHFFFAOYSA-N 433.555 3.672 0 40 IHAB Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=S)NC(=O)c1ccccc1F 32127442 LWZGHOAKQLVULO-UHFFFAOYSA-N 426.502 3.736 0 40 IHAB O=C(NC[C@H]1COc2ccccc2O1)c1cc(Br)c(Br)s1 32995806 RJQNRJNHSBYEOX-QMMMGPOBSA-N 433.121 3.843 0 40 IHAB Cc1ccc(-n2ncc3c(C)nnc(SCC(=O)NCc4ccc5c(c4)OCO5)c32)cc1 38488200 QXYQAGJPRIEOQI-UHFFFAOYSA-N 447.520 3.570 0 40 IHAB O=C(c1ccc2c(=O)n3c(nc2c1)CCCCC3)N1CCC[C@@H]1c1nc2ccccc2[nH]1 40013445 PPOBMSFCSAMWHN-OAQYLSRUSA-N 427.508 3.977 0 40 IHAB CCN(CC)Cc1cccc(CNC(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2C)c1 40139415 DXJPTVDRCSHADZ-UHFFFAOYSA-N 445.629 3.797 0 40 IHAB COc1cccc(CO[C@H](C)C(=O)N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)c1 40154581 YWBGIDDHVDQMOK-MRXNPFEDSA-N 429.492 3.552 0 40 IHAB C[C@@H](NC(=O)[C@H]1CCN(S(C)(=O)=O)c2ccccc2O1)c1ccc(C(C)(C)C)cc1 44906172 SZHJSTVQIPWRNS-IIBYNOLFSA-N 430.570 3.779 0 40 IHAB COCCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3ccc(Cl)cc3)c2c1=O 48987186 FXMZRBHLCXBYIQ-UHFFFAOYSA-N 436.899 3.804 0 40 IHAB COc1ccc(-c2cc(C(=O)N3CCC(NC(=O)c4ccccc4Cl)CC3)[nH]n2)cc1 49406772 RKJBXXQKCWEJCT-UHFFFAOYSA-N 438.915 3.773 0 40 IHAB COCCCN1COc2ccc3c(=O)c(-c4ccc(OC)c(OC)c4)c(C)oc3c2C1 54313671 ZZIFFOBOFLLQHM-UHFFFAOYSA-N 425.481 3.974 0 40 IHAB biogenic C[C@@H](N[C@H](c1ccccc1)c1ccc(Cl)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 58169868 IVXXXFMEIIPONZ-QVKFZJNVSA-N 443.956 3.694 0 40 IHAB CC(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1ccnc(OCC(F)(F)F)c1 58194021 CFYNNNIOXCAVSD-IBGZPJMESA-N 449.473 3.639 0 40 IHAB COc1cc(OC)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c(C(=O)O)c1 58245928 WKHWGKTWVBVIKB-UHFFFAOYSA-N 439.795 3.875 0 40 IHAB COc1ccc(C)cc1NC(=O)Cn1c(=O)cc(-c2nc(C3CC3)no2)c2ccccc21 65154307 ISGXSMWQPPSEKA-UHFFFAOYSA-N 430.464 3.885 0 40 IHAB CCc1ccc(NC(=O)Cn2cnc3nc(N(C)Cc4ccccc4)sc3c2=O)cc1 67225684 XSSIKULBAUYIRG-UHFFFAOYSA-N 433.537 3.691 0 40 IHAB COc1cccc(C(=O)C[C@@]2(O)C(=O)N(CCOc3ccccc3OC)c3ccccc32)c1 68713431 SVJGPJRWGLKUER-SANMLTNESA-N 447.487 3.590 0 40 IHAB CC(C)n1c(CCNC(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)n[nH]c1=S 72289111 DCOLPRYZWOGDQS-UHFFFAOYSA-N 437.591 3.602 0 40 IHAB C[C@H](NC1(CNC(=O)[C@H](C)CN(C)C(=O)OC(C)(C)C)CCOCC1)c1ccccc1 72309572 UXLGUCLCGGTVPC-MOPGFXCFSA-N 433.593 3.506 0 40 IHAB CC(=O)Nc1cccc(-c2cccc([C@@H]3CCCN(CC(=O)Nc4nccs4)C3)n2)c1 72348897 RJFIWHUHUBTXCN-GOSISDBHSA-N 435.553 3.982 0 40 IHAB CC(=O)N1CCc2c(nc([C@@H]3CCCN(C)C3)nc2NCc2cccc(OC(C)C)c2)C1 72373393 CESSMXJGQKDHQJ-HXUWFJFHSA-N 437.588 3.590 0 40 IHAB CNC(=O)c1sc2ccccc2c1[C@@H]1CN(C(=O)c2cn(C)c3ccccc23)CCO1 72383136 XFYHWBOHSMKKAV-IBGZPJMESA-N 433.533 3.966 0 40 IHAB O=C(N[C@H]1CCCN(c2ncccn2)C1)C1(c2ccc(Cl)cc2Cl)CCOCC1 84613415 QTYJCLZQZZGPSQ-INIZCTEOSA-N 435.355 3.617 0 40 IHAB Cc1ccc2c(-c3cc4c(CN5CCN(CCO)CC5)cnc(C)c4o3)cc(=O)oc2c1C 95478627 QGQAFECEQQVTNG-UHFFFAOYSA-N 447.535 3.636 0 40 IHAB C[C@@H](C(=O)N(C)c1ccc2cc(-c3n[nH]c4c3CCC(C)(C)C4)[nH]c2c1)N1CCOCC1 144531521 ZZZXGCPVQQOASC-INIZCTEOSA-N 435.572 3.756 0 40 IHAB CC[C@H](C(=O)NCCCN(C)c1ccccc1)N(c1cccc(Cl)c1)S(C)(=O)=O 219095771 ZXEPWXCHGJYPJB-HXUWFJFHSA-N 437.993 3.527 0 40 IHAB Cc1cccc(CSCCNC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)c1 222553736 WMKPPIGPAQFUIC-UHFFFAOYSA-N 434.627 3.899 0 40 IHAB CC[C@H](C(=O)NCCOc1ccccc1C(C)(C)C)N(c1ccccc1)S(C)(=O)=O 223706818 PCWXAGIZPRZVIM-HXUWFJFHSA-N 432.586 3.724 0 40 IHAB CSc1ccc(S(=O)(=O)NCc2ccc(OC(C)C)cc2)cc1C(=O)N1CCCC1 223853979 IMVJNSROQAIDIR-UHFFFAOYSA-N 448.610 3.910 0 40 IHAB COc1ccccc1OCC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NC1CCCC1 223867141 CDOWJXJUEFHOMY-KRWDZBQOSA-N 428.504 3.689 0 40 IHAB Cc1ccc(N(CCCC(=O)NCc2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 224424008 RZWPSOJZKWONSI-UHFFFAOYSA-N 428.476 3.876 0 40 IHAB CCOc1ccc(NS(=O)(=O)c2nnc(NC(=O)c3ccccc3Cl)s2)cc1 224888216 DRBLTPAHRICVTP-UHFFFAOYSA-N 438.918 3.643 0 40 IHAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(C)cc1 224939212 AUUNTFDNZFHXOP-QHCPKHFHSA-N 426.557 3.962 0 40 IHAB Cc1ccc(C)c(N(CC(=O)Nc2ccc(N3CCCCC3)cc2)S(=O)(=O)N(C)C)c1 224959792 SBZULRNKIRKLQO-UHFFFAOYSA-N 444.601 3.545 0 40 IHAB CCn1c(=O)sc2cc(NS(=O)(=O)c3cc(Br)ccc3OC)ccc21 225125745 VAGVUSJFVYYQIF-UHFFFAOYSA-N 443.344 3.655 0 40 IHAB CS(=O)(=O)N[C@H](CC(=O)Nc1ccc(Br)cc1)c1ccc(Cl)cc1 225950979 LHJLKQRZCMWXFX-OAHLLOKOSA-N 431.739 3.722 0 40 IHAB O=C1O[C@]2(CCN(C(=O)C3(Cc4ccccc4)CCOCC3)C2)CN1c1cccc(F)c1 257201010 AFUIDXMVALYLLV-VWLOTQADSA-N 438.499 3.793 0 40 IHAB Cc1cc(Cc2cccc(C(F)(F)F)c2)cc([C@@H]2CN(C(=O)c3nonc3C)CCO2)n1 257243678 IIAYMOVGWLAMOM-IBGZPJMESA-N 446.429 3.905 0 40 IHAB CC(C)C(=O)NC[C@H]1CC[C@H](c2cc(C(=O)N3CCN(C)CC3)c3ccccc3n2)CC1 257262270 LKTGECPVUDKVGK-MXVIHJGJSA-N 436.600 3.668 0 40 IHAB CCCc1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4N(C(C)=O)[C@H]3Cc2ccccc2)n(C)n1 257290870 QERDNWUKSBGVMI-HHJUPYMQSA-N 448.611 3.988 0 40 IHAB COc1cccc(Nc2cc(C)nc([C@H]3CCN(C(=O)CCn4ccccc4=O)C3)c2)c1 257320955 VZMBRRNXRPHQSV-IBGZPJMESA-N 432.524 3.710 0 40 IHAB O=C(Cc1ccccc1)N1CCC2(CC1)c1ncccc1C(=O)N2Cc1cccc(F)c1 306141175 VNFMOHUEAJZIKE-UHFFFAOYSA-N 429.495 3.937 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)NCCC(C)C)Cc2ccccc2)cc1Cl 408582928 GDIXTNOQSKKQRZ-UHFFFAOYSA-N 438.977 3.702 0 40 IHAB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl 408596102 REFBGWABGRSCPV-MRXNPFEDSA-N 429.369 3.798 0 40 IHAB COC[C@@H](C)NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 408602965 DKSHYMRDPAVZRH-CQSZACIVSA-N 445.368 3.648 0 40 IHAB CCN(Cc1c(F)cccc1F)C(=O)Cc1csc(NC(=O)c2cccc(O)c2)n1 522853476 JSPITTOWUAUORI-UHFFFAOYSA-N 431.464 3.970 0 40 IHAB CC(C)C[C@@H]1NC(=O)C2(CCCCOC[C@@H](C)NC1=O)CCN(CC1CCCCC1)CC2 643576532 PKNSTSMQJWZXSE-GGAORHGYSA-N 449.680 3.885 0 40 IHAB O=C(c1cccc(NS(=O)(=O)c2cccc(F)c2)c1)N1CCN(c2ccccc2)CC1 631425 DHHHXBXLUZNJKZ-UHFFFAOYSA-N 439.512 3.589 0 40 IHAB CCc1ccc(Nc2nnc(SCC(=O)N3CC(=O)Nc4ccccc43)s2)cc1 2616427 NXXKRHSCCUMBFS-UHFFFAOYSA-N 425.539 3.922 0 40 IHAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NC(c2ccccc2)c2ccccc2)C1=O 2622453 VMNPJYGNMUEQOD-SANMLTNESA-N 427.504 3.750 0 40 IHAB CCS(=O)(=O)CCCCc1nnc(NC(=O)Nc2cccc(C(F)(F)F)c2)s1 8767609 ALAGDEJOKPYIQW-UHFFFAOYSA-N 436.481 3.958 0 40 IHAB CC1(C)CCc2c(cc(OCC(=O)Nc3nccs3)c3c4c(c(=O)oc23)CCC4)O1 8878973 LPQFFTZCYXBAID-UHFFFAOYSA-N 426.494 3.859 0 40 IHAB biogenic COc1ccc(-c2csc3nc(C)nc(N4CCN(c5ncccn5)CC4)c23)cc1OC 8898585 FMZURCNVTPYFLN-UHFFFAOYSA-N 448.552 3.801 0 40 IHAB COc1cccc(-c2nn(CC(=O)Nc3ccc(F)cc3F)c(=O)c3nc(C)sc23)c1 8955880 VXFYODFOHLFALB-UHFFFAOYSA-N 442.447 3.754 0 40 IHAB CCc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(Cl)cc3)c(=O)n2C)cc1 9110049 BRLLDJBURZNQQR-UHFFFAOYSA-N 449.942 3.703 0 40 IHAB CC(=O)Oc1ccc(C(=O)Nc2nnc([C@H]3CC(=O)N(c4ccccc4C)C3)s2)cc1 9198144 MHCQBSDRYWGXFG-INIZCTEOSA-N 436.493 3.545 0 40 IHAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCCn3ccnc3)ccc2Cl)c1C 9356071 IBEVIIHFGFEWQE-UHFFFAOYSA-N 446.960 3.774 0 40 IHAB COc1ccc(C(=O)Nc2nnc(SCC(=O)Nc3ccc(C)cc3)s2)c(OC)c1 9364211 LFBMLKQIYBBKHK-UHFFFAOYSA-N 444.538 3.847 0 40 IHAB COc1cc(OC)cc(C(=O)Nc2nnc(SCC(=O)Nc3cccc(C)c3)s2)c1 9364372 WWLMHRSZUNYIKL-UHFFFAOYSA-N 444.538 3.847 0 40 IHAB CC(=O)c1cccc(N2C(SCCCc3ccccc3)=N[C@@H]3CS(=O)(=O)C[C@@H]32)c1 9421848 JNMHSYPRJSCPLO-RTWAWAEBSA-N 428.579 3.597 0 40 IHAB Cc1ccc(CNC(=O)c2ccc(N3C(=O)[C@@H]4Cc5ccccc5CN4C3=O)cc2)cc1 9452041 DDTNRFYYDXPQBX-QHCPKHFHSA-N 425.488 3.819 0 40 IHAB CCOC(=O)[C@H]1[C@@H]2NC(=S)N(c3ccc(F)cc3)[C@@]1(C)Oc1c(OCC)cccc12 9524480 UKBLHBSJXGUZNM-HMFYCAOWSA-N 430.501 3.948 0 40 IHAB O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(OC[C@H]2CCCO2)cc1 9632352 BPQWWTVGSXFQNE-OAQYLSRUSA-N 444.553 3.671 0 40 IHAB COc1cccc(C(=O)Nc2cc(C)nn2-c2ncnc3c2cnn3-c2ccccc2)c1 9661081 DJSKWAXYQMUPLD-UHFFFAOYSA-N 425.452 3.571 0 40 IHAB O=C(c1cc2cc(Cl)ccc2o1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 9666029 BLPSQAJFRQFOSG-UHFFFAOYSA-N 436.892 3.762 0 40 IHAB CC(=O)c1ccc(NC(=O)COc2coc(CN3c4ccccc4C[C@@H]3C)cc2=O)cc1 9716517 GDGXHHMPPZGXAB-INIZCTEOSA-N 432.476 3.811 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCCc4ccccc43)CC2)cc1 9955239 ISLNJBXGQRLROK-QHCPKHFHSA-N 442.581 3.680 0 40 IHAB O=C(CSc1nc(=O)n(C[C@@H]2CCCO2)c2c1CCC2)Nc1cccc2ccccc12 10255382 ALEVUQHKLFUVIY-KRWDZBQOSA-N 435.549 3.795 0 40 IHAB C[C@@H]1Cc2nc(SCC(=O)N3CCCCCC3)n(Cc3ccccc3)c(=O)c2S1 11726548 IDHVQCZNVFVQEL-MRXNPFEDSA-N 429.611 3.823 0 40 IHAB CC[C@@H](Oc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 11866947 MICDTNYKBXNWCV-VPWUQYKFSA-N 439.552 3.983 0 40 IHAB CCn1c(CN2CCCCCC2=O)nnc1S[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C 12125129 TZVDRCWMPCSWJI-DLBZAZTESA-N 441.601 3.659 0 40 IHAB CCOC(=O)c1ccc(C)c(CNC(=O)CSc2nnc(-c3ccc(F)cc3)n2C)c1 12410893 KRDNXKOJSIESRR-UHFFFAOYSA-N 442.516 3.515 0 40 IHAB CCOc1cc2ccccc2cc1C(=O)N1CCN(CC(=O)Nc2ccc(C)cc2)CC1 12768312 VZBDQNGXSXLZLQ-UHFFFAOYSA-N 431.536 3.943 0 40 IHAB CC(=O)c1ccc(S(=O)(=O)NCCSCc2ccc(Br)s2)cc1 12805595 VCDDAVXEDNIQFM-UHFFFAOYSA-N 434.402 3.925 0 40 IHAB C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)c1ccc(F)cc1 12888716 KOUDIAPPVYNVDW-INIZCTEOSA-N 430.545 3.593 0 40 IHAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1 12981508 AMVWRCNBIUAGTH-GOSISDBHSA-N 438.496 3.631 0 40 IHAB Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccccc2I)c(C)c1 12991868 MJGJLBPTJOMYCP-UHFFFAOYSA-N 436.293 3.927 0 40 IHAB Cc1nn(-c2ccc(N3CCN(C(=O)c4ccc5ccccc5c4)CC3)nn2)c(C)c1C 13008999 LGGOCVWIWONKCE-UHFFFAOYSA-N 426.524 3.703 0 40 IHAB CCCCn1c(N)c(N(CCC(C)C)C(=O)c2cccc(C(F)(F)F)c2)c(=O)[nH]c1=O 13041219 DRUWXPWFKDSLAN-UHFFFAOYSA-N 440.466 3.631 0 40 IHAB CCC(C)(C)n1nnnc1[C@@H](c1ccc(OC)cc1)N1CCN(c2ccc(F)cc2)CC1 13504136 ATZYZEORTWXZEP-JOCHJYFZSA-N 438.551 3.878 0 40 IHAB Fc1ccc([C@@H](c2nnnn2CCc2ccccc2)N2CCN(c3ccccc3)CC2)cc1 13505464 XXVXGOUKEIMMNK-VWLOTQADSA-N 442.542 3.967 0 40 IHAB COc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccc(F)cc4)[nH]c(=O)c32)c(OC)c1 13567366 VIAFMGWDJUHSIU-MRXNPFEDSA-N 441.484 3.693 0 40 IHAB COc1ccccc1N1CCN(C(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)CC1 15343866 XQVCTLZSWUCCBU-UHFFFAOYSA-N 441.959 3.550 0 40 IHAB COc1ccc(CN2C[C@H](O)C[C@H]2c2nc(-c3ccc4c(c3)OCO4)no2)c2ccccc12 15674955 VRRXNEHEVXJBQV-XLIONFOSSA-N 445.475 3.935 0 40 IHAB biogenic,in-vitro CCCCOc1ccc(S(=O)(=O)NCCOc2ccc(-c3ccccc3)nn2)cc1 17270992 UGSDYGTUMGMVKC-UHFFFAOYSA-N 427.526 3.680 0 40 IHAB Cc1cc(C(F)(F)F)n2nc([C@H]3CCN(S(=O)(=O)Cc4ccc(F)cc4)C3)cc2n1 19117164 PCPRCAPHRYQMIH-AWEZNQCLSA-N 442.438 3.515 0 40 IHAB CC(C)(Oc1ccc(F)cc1)C(=O)N1CCC[C@@H](c2ccc(C(=O)NCC3CC3)cn2)C1 19705907 YODHUHBWFBFCHG-LJQANCHMSA-N 439.531 3.924 0 40 IHAB COc1c(C)cccc1C(=O)N1CCC(c2nc(C)c3c(n2)N(CC2CC2)C(=O)CC3)CC1 19739280 MVCPOUCAUTVXFA-UHFFFAOYSA-N 448.567 3.811 0 40 IHAB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)Nc1ccc(F)c(F)c1 20010216 SGYANWSRQKSTCH-UHFFFAOYSA-N 430.476 3.837 0 40 IHAB Cc1ccc([C@@H](C)NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1C 22339643 LDDRSGXIULQUGH-OAHLLOKOSA-N 439.375 3.709 0 40 IHAB O=C([C@@H]1CCCO1)N1CCN(c2nc(-c3cccs3)nc3sc4c(c23)CCC4)CC1 22343660 SBOXEINXNBLGCU-HNNXBMFYSA-N 440.594 3.736 0 40 IHAB CCCC(=O)Nc1ccc(C(=O)Cn2cnc3ccc(Br)cc3c2=O)cc1 22987025 VWEFHEGZOJHNAJ-UHFFFAOYSA-N 428.286 3.781 0 40 IHAB CC(C)n1ncc2c(C(=O)N3CCN(Cc4ccc5c(c4)CCO5)CC3)cc(C3CC3)nc21 23989943 GDQVUZQPMKZJEF-UHFFFAOYSA-N 445.567 3.783 0 40 IHAB COc1ccc(F)cc1CN1CCN(C(=O)c2cc(F)ccc2Br)CC1 24387714 YEXOOUNNGVFIAT-UHFFFAOYSA-N 425.273 3.694 0 40 IHAB CCOC(=O)c1c(C)n(C)c2ccc(OS(=O)(=O)c3ccc4oc(=O)ccc4c3)cc12 24759147 BYMNDFSVLBYUIT-UHFFFAOYSA-N 441.461 3.538 0 40 IHAB Cc1nc(SCC(=O)OCC(=O)C23CC4CC(CC(C4)C2)C3)c(C(N)=O)c(C)c1C 25629795 IWLPUCLYKDJUDR-UHFFFAOYSA-N 430.570 3.527 0 40 IHAB O=S(=O)(c1ccc2c(c1)OCCO2)N(CCOc1ccccc1F)c1ccccc1 27915184 MZPDQNKELRKYEE-UHFFFAOYSA-N 429.469 3.871 0 40 IHAB COc1ccc([C@H](C)NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 32109962 RFTRERDFBMEFLE-KRWDZBQOSA-N 442.512 3.907 0 40 IHAB CCOC(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2OC)c(Br)c1 32770638 LOHVIWIJKWFNMY-LBPRGKRZSA-N 442.331 3.674 0 40 IHAB Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(-n4cncn4)cc3C(F)(F)F)CC2=O)c1C 32936674 UQFIMASRWFZWFX-HNNXBMFYSA-N 443.429 3.895 0 40 IHAB COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)COc1ccc2ccccc2c1 32967211 PZGNHXBXSRRGRK-JOCHJYFZSA-N 449.503 3.925 0 40 IHAB CCn1c(SCC(=O)Nc2ccccc2C)nnc1[C@@H](C)NC(=O)c1ccccc1F 33694515 LLHMAISMBNDAIX-OAHLLOKOSA-N 441.532 3.967 0 40 IHAB COc1ccc(N(C[C@@H](O)CN2[C@@H](C)CCC[C@H]2C)S(=O)(=O)c2ccc(C)cc2)cc1 35590784 DPPITQLJNRVYME-VWPQPMDRSA-N 446.613 3.823 0 40 IHAB O=C1C[C@H](c2cc(Br)ccc2OCc2ccccc2Cl)N2N=CNC2=N1 38199507 JPQNVJAJIGROPS-OAHLLOKOSA-N 433.693 3.857 0 40 IHAB COc1cccc(N(CC(=O)N[C@@H](c2ccccc2)c2ccccc2C)S(C)(=O)=O)c1 44845286 YAPLRSCXJYGZHE-DEOSSOPVSA-N 438.549 3.675 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1Cl 44847746 HBMPJMJDTSFXMR-UHFFFAOYSA-N 445.324 3.575 0 40 IHAB CN(C)S(=O)(=O)c1cccc(CS(=O)(=O)Cc2csc(C3CCCCC3)n2)c1 48230620 QFPIGHKERUFOAS-UHFFFAOYSA-N 442.628 3.556 0 40 IHAB Cc1nc2c(c(=O)n1CC(=O)Nc1ccc(F)cc1Cl)CN(Cc1ccccc1)CC2 49400860 CBDRMUYQKQUFPF-UHFFFAOYSA-N 440.906 3.541 0 40 IHAB Cc1ccc(-c2cc(C(=O)N3CCC(NC(=O)c4cccc(N(C)C)c4)CC3)[nH]n2)c(C)c1 49406667 XZGAMFRUMQBJND-UHFFFAOYSA-N 445.567 3.794 0 40 IHAB Cc1ccc(Cl)cc1NC(=O)CN1CN(c2ccccc2)c2ncccc2S1(=O)=O 49411388 ICUBJDUKZGWLAY-UHFFFAOYSA-N 442.928 3.782 0 40 IHAB Cc1ccc(N2C(=O)N(CCOc3ccccc3)S(=O)(=O)c3cccnc32)cc1F 49420982 MWMRKYYWNGOCNK-UHFFFAOYSA-N 427.457 3.871 0 40 IHAB Cc1ccc(Cl)cc1-n1ncc2c(=O)n(CC(=O)Nc3ccc(Cl)cc3F)cnc21 57486472 QTMWOLCUODEMAN-UHFFFAOYSA-N 446.269 3.975 0 40 IHAB CCCCCN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1 58004185 LLWUQGDYYIEZSN-UHFFFAOYSA-N 428.551 3.578 0 40 IHAB Cc1cc(OCC(=O)Nc2cc(F)ccc2C)nc(N2CCN(c3ccccc3)CC2)n1 65101769 OEKFMBKNYWWBRP-UHFFFAOYSA-N 435.503 3.577 0 40 IHAB CCc1noc(-c2ccc(-n3cnc(C(=O)NCc4ccc(F)cc4Cl)c3)nc2)n1 71768350 FVZIHNLABRMCTL-UHFFFAOYSA-N 426.839 3.602 0 40 IHAB Cc1nc(-c2ccc(S(=O)(=O)Nc3cc(Cl)ccc3N3CCN(C)CC3)cc2)co1 72287222 LCLXTGLLXXKJRR-UHFFFAOYSA-N 446.960 3.856 0 40 IHAB O=C(CN1CC[C@@](O)(C(F)(F)F)C1)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 72308485 IMMFLRXSCZYAOX-KRWDZBQOSA-N 439.400 3.633 0 40 IHAB Cc1cc(-c2cc(=O)n(CC(=O)NCC[C@H](C)c3ccco3)nc2-c2cccs2)on1 72337300 SQKHSYVQLCRSTF-AWEZNQCLSA-N 438.509 3.838 0 40 IHAB Cc1cc(NS(=O)(=O)c2cc(Br)c(Cl)c(C(=O)O)c2)ccc1C(=O)O 96011307 WDDFZTDTQVTSCV-UHFFFAOYSA-N 448.678 3.608 0 40 IHAB Cc1cnc(CNC(=O)c2ccn(-c3ccc4ccc(-c5ccc(F)cc5)cn34)n2)cn1 96155426 QUVGLYUYDCTGFV-UHFFFAOYSA-N 426.455 3.960 0 40 IHAB CN1CCN(Cc2ccccc2)C[C@@H]1c1nnc2ccc(C(=O)Nc3cccc(F)c3)cn12 96268019 CCKRMJDBDFPBBH-JOCHJYFZSA-N 444.514 3.609 0 40 IHAB O=C1[C@H]2[C@H]([C@@H](C(=O)C34CC5CC(CC(C5)C3)C4)N3c4ccccc4C=C[C@H]23)[C@@H]2CO[C@@H]1O2 100249574 XXTVWAHGGFLWMY-WFWHMNKZSA-N 431.532 3.613 0 40 IHAB biogenic,in-vitro C[C@@H]1[C@@H](NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2N)CCC[C@H]1C 103248606 DRZAZUIDDDGNPV-ZETOZRRWSA-N 428.389 3.999 0 40 IHAB CC(C)Oc1ccc(CNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1 216410578 AWARTPVUCZNJBX-UHFFFAOYSA-N 445.368 3.863 0 40 IHAB CN(c1cccc(NC(=O)CCCN2C(=O)c3cccc4cccc2c34)c1)S(C)(=O)=O 219460686 OSCWINWPSAEIJE-UHFFFAOYSA-N 437.521 3.615 0 40 IHAB COc1ccc(C)cc1NC(=O)[C@H](C)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 220193919 WJFISHAADKJPOF-ZDUSSCGKSA-N 430.448 3.816 0 40 IHAB C[C@H](C(=O)NCCCc1ccc(F)cc1)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 220200677 RRITXUNXQKDBOF-CQSZACIVSA-N 446.466 3.748 0 40 IHAB CCc1ccc(N([C@H](C)C(=O)NCCCc2cccc(OC(C)C)c2)S(C)(=O)=O)cc1 220286333 SHPCZXNGZVQAGI-LJQANCHMSA-N 446.613 3.940 0 40 IHAB CCOc1ccc(CCC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC)cc1OCC 222910814 PDZYACNUVGTAPV-LJQANCHMSA-N 426.557 3.622 0 40 IHAB O=C(NCCOc1ccc2ccccc2c1)c1ccc(CS(=O)(=O)N2CCCC2)cc1 223629357 ZUDZCBLQWOBFMU-UHFFFAOYSA-N 438.549 3.574 0 40 IHAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(OC)cc1 223665447 QWJNFEUEMBAJQV-QFIPXVFZSA-N 426.557 3.968 0 40 IHAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)N2CCCCCC2)c1 223838503 OJBYRVGYWBNZRL-UHFFFAOYSA-N 430.526 3.599 0 40 IHAB COC(=O)c1cccc(NC(=O)c2ccc(C)c(N(C)S(=O)(=O)c3ccccc3)c2)c1 224297101 KXTQNONOTVSXHT-UHFFFAOYSA-N 438.505 3.859 0 40 IHAB CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)COc1ccc(Br)cc1 224620814 GBSCIMRROPIJJY-FQEVSTJZSA-N 447.373 3.814 0 40 IHAB O=C(Nc1nnc(S(=O)(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)s1)c1ccc(Cl)cc1Cl 224728627 BBUCOQRXMRPFMX-KKFJDGPESA-N 447.369 3.564 0 40 IHAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(F)cc1 224939519 CFJBCGCRWJRVSP-QFIPXVFZSA-N 430.520 3.793 0 40 IHAB Cc1ccc(C)c(N(CC(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)S(C)(=O)=O)c1 225138619 DMVPSQYVFDGXAY-UHFFFAOYSA-N 447.582 3.665 0 40 IHAB c1ccc(OCCN2CCCC2)c(CN2CCOC[C@H](Cc3ccc4cc[nH]c4n3)C2)c1 257316732 VGSQWRDNADCGHF-OAQYLSRUSA-N 434.584 3.729 0 40 IHAB O=C1N(Cc2ccncc2)CCO[C@]12CN(Cc1cccc(Cl)c1)C[C@@H]2c1cccnc1 306144107 YWGVFYYMHKYUED-NOZRDPDXSA-N 448.954 3.527 0 40 IHAB Cc1c(Br)ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c1C 408646981 RSMSHNWZJXBKGO-OAHLLOKOSA-N 445.313 3.601 0 40 IHAB CCc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@H]3C[C@H](C)CC[C@H]3C2=O)c1 408658826 IZSBISDJWMQSNZ-HBGVWJBISA-N 448.519 3.970 0 40 IHAB CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1ccc(-c2ccc3c(c2)CCO3)cc1 521461401 KUGKAQQAZPSIEN-RUZDIDTESA-N 426.516 3.878 0 40 IHAB CCOc1ccc(CCC(=O)N2CCNC(=O)[C@@H]2Cc2cccc(-c3cccnc3)c2)cc1 585169028 RDMRAVIYFGEONI-VWLOTQADSA-N 443.547 3.650 0 40 IHAB CC1CCN(CC(=O)N2CCC[C@]3(CCCCCOc4ccccc4C(=O)NC3)C2)CC1 643559556 RGUXGAAJVUQBPP-SANMLTNESA-N 441.616 3.710 0 40 IHAB COc1cccc(CNC(=O)c2ccc3c(c2)Cc2cccc(c2)CNCCOCCO3)c1 643584847 VHNNLGKYFKTFSA-UHFFFAOYSA-N 446.547 3.715 0 40 IHAB O=C(NCc1noc([C@@H]2CCC(=O)N2Cc2ccccc2)n1)Nc1ccc(F)c(F)c1 1775963983 MNRXNWWWLFQRMI-KRWDZBQOSA-N 427.411 3.533 0 40 IHAB biogenic,in-vitro C[C@@]1(C2CCN(Cc3ccc(OCC(=O)O)cc3)CC2)CN(c2ccc(F)cc2)C(=O)O1 1848354164 ZJZVPUOFBDITCB-DEOSSOPVSA-N 442.487 3.917 0 40 IHAB COc1cc(NC(=O)[C@@H]2CC(c3cccc(Br)c3)=NO2)cc(OC)c1OC 814945 VBEHTLKOYUWZNX-KRWDZBQOSA-N 435.274 3.607 0 40 IHAB Cc1ccc2cc(CN(C[C@@H]3CCCO3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1C 923133 LLGORBXTQNXOEZ-FQEVSTJZSA-N 426.538 3.515 0 40 IHAB CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1=O 2627594 DONKNMYSEZLUQR-FQEVSTJZSA-N 435.402 3.771 0 40 IHAB O=C(CSc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12)N1CCCCCC1 3224444 FOSLGFDUTYJJQV-UHFFFAOYSA-N 433.537 3.528 0 40 IHAB CCOC(=O)c1c(NC(=O)[C@@H](C)OC(=O)c2ccc(O)cc2)sc2c1CC[C@H](C)C2 3312976 IYEIKIUPQJNBJY-QWHCGFSZSA-N 431.510 3.939 0 40 IHAB Cc1cc(C)cc(-n2c(SCCNCCO)nnc2-c2ccc(Br)cc2)c1 3359362 RUJYTRPPDCEOML-UHFFFAOYSA-N 447.402 3.988 0 40 IHAB O=C(NCCCn1ccnc1)c1cc2nc3c(c(C(F)(F)F)n2n1)CCc1ccccc1-3 4068299 DGVXMGZZNDKWSD-UHFFFAOYSA-N 440.429 3.530 0 40 IHAB COC(=O)c1ccc(NC(=O)CSc2nnc3c(C)cc4ccc(OC)cc4n23)cc1 6195112 WYWRLXTYKBPDGQ-UHFFFAOYSA-N 436.493 3.717 0 40 IHAB Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)N3CCC[C@H](C)C3)cc2c1 6409297 OCEZPYRAGQLBJH-GAJHUEQPSA-N 446.530 3.832 0 40 IHAB COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)N2Cc2ccco2)cc1 6973818 XIJHYZHPVKPESR-NRFANRHFSA-N 449.463 3.663 0 40 IHAB CC(C)CNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl 8396002 OVMLFFWQRDETIX-UHFFFAOYSA-N 443.396 3.999 0 40 IHAB Cc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@@H]4C3=O)c2)cc1C 8449898 KJQNDTHWFBSZHD-WKZKVMAPSA-N 431.488 3.879 0 40 IHAB Cc1cccc(OCCSc2nc3ccccc3n2CC(=O)N2CCOCC2)c1C 8586931 YNOFKONQXRUHFZ-UHFFFAOYSA-N 425.554 3.683 0 40 IHAB Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCCCn4ccnc4)c3n2)cc1 8694905 ZWVPRUIBYOLCBW-UHFFFAOYSA-N 428.418 3.740 0 40 IHAB O=C(CCn1nc(-c2cccs2)oc1=O)N1CCC[C@@H]1c1nc2ccccc2s1 8718743 ORZYUYYOZRCEKA-CQSZACIVSA-N 426.523 3.928 0 40 IHAB CC(=O)c1cccc(NC(=O)COc2cc3oc(=O)c(C[C@H](C)O)c(C)c3cc2Cl)c1 8830220 ZEOTTYLCJGDTHS-LBPRGKRZSA-N 443.883 3.898 0 40 IHAB CC[C@H](C)NC(=O)c1ccccc1N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 8918115 KRWAWXQYQCTCSQ-MQNRADLISA-N 430.508 3.936 0 40 IHAB biogenic COc1ccc(Br)cc1CN(C)C(=O)CCNC(=O)c1ccc(Cl)cc1 9316766 FPYOORAPPWHCNU-UHFFFAOYSA-N 439.737 3.890 0 40 IHAB CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1 9451431 UMUJMHZZZZOXRX-GOSISDBHSA-N 435.929 3.882 0 40 IHAB O=C(/C=C/c1ccc(Br)cc1)NC(=S)NN1CCCC[C@H]1c1cccnc1 9478035 JKECHXGOXFKXMC-MZEUMTGBSA-N 445.386 3.990 0 40 IHAB Cc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)c3ccc4c(c3)OCCO4)n2)cc1 9865429 GSNJMFVOMONLER-UHFFFAOYSA-N 447.520 3.715 0 40 IHAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCCN3CCC(C)CC3)ccc2C)cc1 10112522 OVIXGLFBSVYZCB-UHFFFAOYSA-N 443.613 3.956 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4sc(C)nc4c3)CC2)cc1 10337563 IXNMFSBLEYNWFI-UHFFFAOYSA-N 429.567 3.953 0 40 IHAB Cc1ccc(Cl)cc1N([C@H](C)C(=O)NCCSC1CCCCC1)S(C)(=O)=O 10339065 TWBMHWXFTLNJIN-OAHLLOKOSA-N 433.039 3.985 0 40 IHAB CN(CC(=O)Nc1ccc(-c2nc3ccccc3o2)cc1)S(=O)(=O)c1ccc(F)cc1 10422145 DWTMBYMCGWKHEW-UHFFFAOYSA-N 439.468 3.893 0 40 IHAB Cc1ccc(-c2cc(C(=O)NCc3ccc(N4CCOCC4)nc3)c3c(C)noc3n2)s1 10720003 LONMMCXVIUKOKF-UHFFFAOYSA-N 449.536 3.730 0 40 IHAB Cc1cccc(C(C)C)c1NC(=O)CN(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C 11068704 RGBKZUQYPCVAJS-GOSISDBHSA-N 436.556 3.753 0 40 IHAB Cc1occc1-c1nnc(SCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)o1 11596026 WRGBLKBUKLSITP-UHFFFAOYSA-N 426.498 3.607 0 40 IHAB O=C(Nc1cc(F)ccc1F)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 11650109 CCSPNOHOOMJMHP-MRXNPFEDSA-N 445.285 3.519 0 40 IHAB CC(C)c1ccc(C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)c(C(C)C)c1 12617906 YIIJUYAOCPSOHC-UHFFFAOYSA-N 438.597 3.961 0 40 IHAB CCc1nnc(NC(=O)[C@H](CCSC)NC(=O)c2ccc(Cl)cc2Cl)s1 12634876 VQWOPIKLKBYNCH-LBPRGKRZSA-N 433.386 3.898 0 40 IHAB CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)c1C 12636980 MKLVHUMMQRDIRG-OKILXGFUSA-N 431.558 3.753 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CSc2nnc(COc3cccc(C)c3)o2)cc1 12674685 RUCNWKKOISZYQH-UHFFFAOYSA-N 427.482 3.865 0 40 IHAB C[C@H]1CCN(C(=O)Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)c2ccccc2S1 12689502 SFMNJRACYXKPQJ-HNNXBMFYSA-N 449.511 3.639 0 40 IHAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)N3CCCN(C)c4nc5ccccc5nc43)c12 12734852 PVVSDFSNXLQBTF-UHFFFAOYSA-N 429.528 3.830 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(NC(=O)/C=C/c2cc(OC)cc(OC)c2)ccc1C 12812917 WEMOHHHCXROPJB-PKNBQFBNSA-N 432.542 3.695 0 40 IHAB COc1ccc(-c2csc3nc(C)nc(N4CCC[C@H]4C(=O)N(C)C)c23)cc1OC 12817398 XLAOTVOGXCZPPO-INIZCTEOSA-N 426.542 3.741 0 40 IHAB Cc1nn(Cc2ccccc2)c2sc(C(=O)NC[C@@H](CC(C)C)N3CCOCC3)cc12 12869753 SJDQYSHIFNXJCW-HXUWFJFHSA-N 440.613 3.931 0 40 IHAB O=C(OCc1nnc(-c2ccccc2)o1)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 13102872 DTDQMXJCPCBDIX-RGEXLXHISA-N 440.419 3.725 0 40 IHAB CC(=O)Nc1ccc(SCC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)cc1 13134152 OZWDMHINCMFPSG-UHFFFAOYSA-N 439.459 3.853 0 40 IHAB O=C(CSc1nnc(-c2ccccc2F)n1C1CC1)NCc1ccc2c(c1)OCO2 13138175 IZMZZVWQUJRCRT-UHFFFAOYSA-N 426.473 3.556 0 40 IHAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(=O)oc2cc3c(cc12)CCC3 13145512 DZZJBCCKEXKZFU-QHCPKHFHSA-N 444.487 3.554 0 40 IHAB Cc1nnc(NC(=O)CSc2nnc3c4c(C)c(C)sc4nc(C(C)C)n23)s1 13500016 RFRLKZZTZYNDET-UHFFFAOYSA-N 433.588 3.970 0 40 IHAB CCOC(=O)COc1c(Cl)cc(/C=C2/N=C(c3cccc(OC)c3)OC2=O)cc1OC 13564641 LDIXIMCHNVNIQM-RQZCQDPDSA-N 445.855 3.644 0 40 IHAB Cc1ccccc1NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CC(=O)Nc2ccccc21 13571210 ZUOXOLHJQQTKEG-NRFANRHFSA-N 428.492 3.713 0 40 IHAB Cc1cc(C)cc(N([C@H](C)C(=O)NCCSCc2ccccc2F)S(C)(=O)=O)c1 13647834 DDSKQQQMMLCSDX-QGZVFWFLSA-N 438.590 3.647 0 40 IHAB CCc1ccccc1Nc1nc(N)nc(CSc2nc(-c3ccc(OC)cc3)n[nH]2)n1 16101357 OCQUHWCJKKCQJA-UHFFFAOYSA-N 434.529 3.846 0 40 IHAB COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccc(Br)cc1C(=O)O 16226798 YGYIWWWHFBWJJD-UHFFFAOYSA-N 443.706 3.936 0 40 IHAB O=c1c2ccccc2nc(CSC2=N[C@H]3C=Cc4nsnc4[C@@H]3N2)n1-c1ccccc1 16523709 BUXPXDMKAZUHKZ-QFBILLFUSA-N 444.545 3.566 0 40 IHAB O=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1nc(-c2ccc3c(c2)OCO3)cs1 17156369 IARGYMRMVQEJPH-UHFFFAOYSA-N 436.898 3.605 0 40 IHAB O=C(Cc1ccccc1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CN(CC1CCCCC1)CC2 19370184 QCCCYAAKRWWHOL-QHCPKHFHSA-N 434.584 3.615 0 40 IHAB CCOC(=O)c1c(C)oc2ncn(CC(=O)c3ccc4c(c3)-c3ccccc3C4)c(=O)c12 19431937 JEPOFTKHFRIMHQ-UHFFFAOYSA-N 428.444 3.929 0 40 IHAB CNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCN(C(=O)Cc2ccc(OC)cc2)C1 19591478 NASGXCGOLOLUPQ-HHHXNRCGSA-N 443.547 3.507 0 40 IHAB CNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCN(Cc2ccc(OC)c(OC)c2)C1 19591683 MCUYMKRHGNJKQC-MHZLTWQESA-N 445.563 3.947 0 40 IHAB Cc1noc(C)c1CC(=O)N1CCC([C@@H]2CC=CCN(Cc3ccc(F)cc3)C2=O)CC1 19696252 GDPFAOUCXLOJRE-QFIPXVFZSA-N 439.531 3.817 0 40 IHAB O=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)N1CCN(c2cccc(Cl)c2)CC1 19937678 ANYZVMHMRVIBTQ-UHFFFAOYSA-N 443.334 3.635 0 40 IHAB CCN(CC(=O)NCc1cccs1)C(=O)CCc1ncc(-c2c(F)cccc2F)o1 21321545 KPJVTUWQVYRNLH-UHFFFAOYSA-N 433.480 3.779 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc1 21756287 LGTJSAADGHAIDK-UHFFFAOYSA-N 430.526 3.826 0 40 IHAB CCc1nc2sc([C@H](c3cccc(Cl)c3)N3CCC4(CC3)OCCO4)c(O)n2n1 22854041 DHZVWPRUDCMESC-INIZCTEOSA-N 434.949 3.641 0 40 IHAB Cc1ccc(OCc2ccc(C(=O)Nc3ccc(C)c(S(=O)(=O)N(C)C)c3)o2)cc1 24753897 LPXOUCQULKNIEF-UHFFFAOYSA-N 428.510 3.978 0 40 IHAB O=C(c1cccs1)N1CCN(C[C@@H](O)COc2ccc(Oc3ccccc3)cc2)CC1 24865883 VNXOLAHJWBMXGJ-LJQANCHMSA-N 438.549 3.738 0 40 IHAB CC(C)c1ccc(CN2CCN(C(=O)CCNC(=O)c3ccc(F)cc3F)CC2)cc1 25184041 BBGFGINQAGLLLZ-UHFFFAOYSA-N 429.511 3.553 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)OCc1nc2ccccc2n1C(F)F 25549898 HCHNJXDKYFALSA-UHFFFAOYSA-N 449.479 3.881 0 40 IHAB CCCS(=O)(=O)Nc1cccc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c1 29269032 YTNJRWWJLGKDAJ-UHFFFAOYSA-N 426.542 3.734 0 40 IHAB Cc1nc(NC(=O)CSc2nnc([C@H](C)N(C)C)n2-c2ccc(F)cc2)sc1C 32878905 NNSQEULOXHLVPF-LBPRGKRZSA-N 434.566 3.833 0 40 IHAB O=C(CCSc1nnc2ccc(C(F)(F)F)cn12)Nc1ccc(N2CCCC2=O)cc1 32899847 ZIYCJIWXVFXXIS-UHFFFAOYSA-N 449.458 3.996 0 40 IHAB COc1cc(Br)c(OC)c(C(=O)N2CCC[C@@H](c3nnc4ccccn34)C2)c1 32906607 OLCPIGRPAPWQTG-CYBMUJFWSA-N 445.317 3.529 0 40 IHAB CCc1ccc([C@H](C)NC(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cc1 32910436 YLWDNPXGXVXZRB-HNNXBMFYSA-N 433.537 3.641 0 40 IHAB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccnn2Cc2ccco2)cc1 32988115 IHIPRPNOQUKDJR-UHFFFAOYSA-N 436.493 3.602 0 40 IHAB Cc1nn(CC(C)C)c2sc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc12 33005190 GVTISQVTQLHJPU-UHFFFAOYSA-N 440.569 3.749 0 40 IHAB COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccccc1N1CCN(C)CC1 33517346 PQNVFIIPYZJJIX-UHFFFAOYSA-N 434.565 3.727 0 40 IHAB C#CCOc1ccc(/C=C2/SC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1OCC 35301927 XVPQABNBMSDDLN-XDHOZWIPSA-N 441.461 3.713 0 40 IHAB O=C(Nc1nnc(SCC(=O)N2CCc3ccccc32)s1)c1ccc(F)cc1F 35311582 DKZDCHALPOHRSO-UHFFFAOYSA-N 432.477 3.750 0 40 IHAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1 39975749 SBNVPUJJNMAACP-OAQYLSRUSA-N 437.496 3.742 0 40 IHAB O=C(NCc1ccccc1CN1CCCC1)c1occc1CS(=O)(=O)c1ccccc1 40019883 OLGYYKLPLOLFNO-UHFFFAOYSA-N 438.549 3.779 0 40 IHAB CCOc1c(Br)cc(CNCCS(=O)(=O)Cc2ccccc2)cc1OC 48278589 SLIWXKLEEUVBLD-UHFFFAOYSA-N 442.375 3.561 0 40 IHAB Cc1ccc(-n2c(SCCCn3c(=O)[nH]c4ccccc43)nc3ccccc3c2=O)nc1 57679922 RDEDXPNZICXSKG-UHFFFAOYSA-N 443.532 3.915 0 40 IHAB CCn1c(-c2ccccc2OC)nnc1S(=O)(=O)Cc1coc(-c2ccc(C)cc2)n1 59853297 KNTSMTSRWRCQCG-UHFFFAOYSA-N 438.509 3.911 0 40 IHAB CSc1ccc(-c2ccc(=O)n(CC(=O)Nc3nnc(Cc4ccccc4)s3)n2)cc1 71283214 HOUBMOHRPPWXMW-UHFFFAOYSA-N 449.561 3.713 0 40 IHAB COC(=O)c1sc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3)c2)nc1C 72236016 KVTAGQCUIBSJKC-UHFFFAOYSA-N 445.522 3.600 0 40 IHAB CC(=O)N1CCCCC[C@@H]1Cc1c(C(=O)NCCN2CCCC2=O)sc2ccccc12 72370773 CKYSMUAGWKKUOB-GOSISDBHSA-N 441.597 3.587 0 40 IHAB COc1ccccc1OCCc1cc([C@@H]2CCN(C(=O)c3ccc4[nH]c(C)nc4c3)C2)n[nH]1 72371446 MSHFZMVKOHXBQE-GOSISDBHSA-N 445.523 3.854 0 40 IHAB C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1ccc3[nH]c(-c4ccc(Cl)cn4)nc3c1)CS2 79074248 ABTYPZBWCWVRPU-OXQOHEQNSA-N 427.917 3.671 0 40 IHAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N1CCC(CCCN2CCOCC2)CC1 95468527 BLWFWIJFBHZIFY-UHFFFAOYSA-N 448.970 3.938 0 40 IHAB CN(C)[C@H]1CCN(C(=O)c2cnc(-c3noc4cc(N5CCCCC5)ccc34)s2)C1 96154639 OQAWGWILUNNWHN-INIZCTEOSA-N 425.558 3.718 0 40 IHAB CN(C)c1cccc(C(=O)N2Cc3ccccc3C3(CCN(c4ncc(F)cn4)CC3)C2)c1 96242629 ZELIRVGMRMSYEE-UHFFFAOYSA-N 445.542 3.876 0 40 IHAB COc1cc(/C=C\C(=O)O)ccc1OS(=O)(=O)c1cc(Br)ccc1C 97997213 WWSZXKUUUMBIJO-YVMONPNESA-N 427.272 3.632 0 40 IHAB CNC(=O)NC(=O)[C@H](C)OC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2 102050296 VMZBZFJGHWKWHN-RHIYTYFCSA-N 433.464 3.706 0 40 IHAB C[C@@]1(C(=O)c2ccccc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN21 104269119 CBDNGZBGXXDVRS-MTPWMDRRSA-N 435.483 3.838 0 40 IHAB OCCN1CCC(Cc2nc(Nc3ncc(-c4ccc(F)cc4)s3)ncc2F)CC1 143379791 NWBYVUDIRJSZEZ-UHFFFAOYSA-N 431.512 3.869 0 40 IHAB COc1ccc2c(c1)[C@@H](NS(=O)(=O)c1ccc(N3CCCC3=O)c(C)c1)CC(C)(C)O2 219224872 RTQRBJZPFUYRNY-IBGZPJMESA-N 444.553 3.711 0 40 IHAB CC[C@@H](NC(=O)c1ccc(C)c(N2CCCCS2(=O)=O)c1)c1ccc(OC)c(OC)c1 222577661 LXQBQYCIANWEKU-LJQANCHMSA-N 446.569 3.823 0 40 IHAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccccc1F 223128247 OTXDMXOFRIEHTE-QHCPKHFHSA-N 434.511 3.981 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(F)cc3)cc2)cc1OC 223990538 NIVANIMUBULPEY-UHFFFAOYSA-N 430.457 3.896 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCCOc1ccc(Cl)cc1)c1ccccc1Cl 224668378 CTIZRQJKGJVQOQ-UHFFFAOYSA-N 445.368 3.735 0 40 IHAB CSc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(N3CCCCC3)cc2)cc1 224980123 AKGMVWCFIQFZPA-UHFFFAOYSA-N 433.599 3.658 0 40 IHAB CCCSc1nnc(NC(=O)[C@H](CC)N(c2cccc(Cl)c2)S(C)(=O)=O)s1 225041527 AEJKZCUIZHKJAD-ZDUSSCGKSA-N 449.023 3.877 0 40 IHAB CC[C@H](C(=O)N[C@@H](C)c1cc(OC)ccc1OC)N(c1ccc(C)c(C)c1)S(C)(=O)=O 225629969 QZSAKLMGKSVLCN-LAUBAEHRSA-N 448.585 3.743 0 40 IHAB C[C@H](CC(C)(C)c1ccccc1)NC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 225645465 WTTVNWNGZPLAMH-QZTJIDSGSA-N 432.586 3.722 0 40 IHAB CC[C@@H](NC(=S)Nc1ccc(Cl)c(C(=O)OC)c1)c1ccc(S(C)(=O)=O)cc1 225724462 FSCJRQASKZJIAS-QGZVFWFLSA-N 440.974 3.968 0 40 IHAB C[C@@H]1CCC[C@@H](C)N1C(=O)c1c[nH]nc1C1CCN(C(=O)Cc2ccc(F)cc2)CC1 257208134 BKWZWPNRNKLGQZ-IAGOWNOFSA-N 426.536 3.901 0 40 IHAB CNC(=O)c1sc2ccccc2c1[C@@H]1CCN(C(=O)CN(C)Cc2ccc(F)cc2)C1 257213031 CFXFRJFLUOWEOQ-QGZVFWFLSA-N 439.556 3.848 0 40 IHAB COCc1cc(CN2CCO[C@H](c3cccc(-c4cnn(C)c4)n3)C2)ccc1OC(C)C 257231625 GHNDTAUMXAAZSJ-VWLOTQADSA-N 436.556 3.989 0 40 IHAB c1ccc(OCCN2CCCC2)c(CN2CCOC[C@H](Cc3nccn4cccc34)C2)c1 257256227 KKNRHPSMESEIHN-JOCHJYFZSA-N 434.584 3.500 0 40 IHAB CC(=O)N1CCC[C@@H]1c1nc(C(=O)NCc2cccc(C(F)(F)F)c2)c2ccccn12 306124700 BWXYMMPUJBIXRW-GOSISDBHSA-N 430.430 3.967 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCc1ccco1)c1ccc(Cl)cc1 408556307 ISYDKJBVGZYCCK-UHFFFAOYSA-N 448.928 3.762 0 40 IHAB O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl)NC1CCCCCCC1 408585563 ZSZZJFMFIQYOFH-UHFFFAOYSA-N 428.982 3.732 0 40 IHAB O=C(CN1c2ccc(Cl)cc2-c2ccccc2S1(=O)=O)NCCc1ccccc1 408623240 DXEGUCOZCCTNCN-UHFFFAOYSA-N 426.925 3.875 0 40 IHAB C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 408647546 JKTAMYDKMVUYEK-XPGWFJOJSA-N 436.895 3.920 0 40 IHAB Cc1ccc(NC(=O)CSc2nnc([C@@H](C)NC(=O)c3ccccc3)n2C)cc1Cl 409129019 QIJWLXDJUGPUJL-CQSZACIVSA-N 443.960 3.999 0 40 IHAB Cc1cccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3cccc(F)c3C)n2C)c1 409148801 RYHZSZKBFZWPPV-HNNXBMFYSA-N 441.532 3.793 0 40 IHAB Cc1ccc(N(CC(=O)NCc2ccccn2)S(=O)(=O)c2ccc(Cl)cc2)cc1C 409176847 ZHPWXEUKQLKSQF-UHFFFAOYSA-N 443.956 3.864 0 40 IHAB Cc1ccc(N([C@@H](C)C(=O)NCCSCc2ccccc2Cl)S(C)(=O)=O)cc1 409410797 QDAKPIDSNPAGEK-INIZCTEOSA-N 441.018 3.853 0 40 IHAB CCN1CCN(C(=O)Cc2ccc(OC)cc2)[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O 585168994 DOYGVIIKGBWIBX-VWLOTQADSA-N 443.547 3.602 0 40 IHAB CC(C)(NC(=O)c1ccccc1F)C(=O)N1CCOC[C@H](Cc2ccc3ncccc3c2)C1 585262062 GRANXGWYILZUGG-LJQANCHMSA-N 449.526 3.600 0 40 IHAB O=C(CN1CCCCCCOc2ccccc2Oc2ncccc2C1)NCCn1ccnc1 643576685 LZMTZXNDXLHJHX-UHFFFAOYSA-N 449.555 3.642 0 40 IHAB CCOC(=O)c1cnn2ccc(NC(=O)[C@@]3(C)CC(c4ccccc4Cl)=NO3)cc12 1558552582 CTIGLOXEXQLCSH-OAQYLSRUSA-N 426.860 3.686 0 40 IHAB CCCNC(=O)N1C[C@H]2C[C@H](Oc3cnccn3)[C@@H](n3c(C)nc4ccccc43)C[C@H]2C1 2332242726 LZMBFNATOGZVMY-UDKICSLYSA-N 434.544 3.585 0 40 IHAB COc1ccccc1N1CCN(C(=O)/C(=C/c2ccccc2)NC(=O)c2ccccc2)CC1 688665 NSDPNJBDLLIMHE-ATJXCDBQSA-N 441.531 3.815 0 40 IHAB COc1cc(C(=O)OCC(=O)c2cc(C)n(C[C@H]3CCCO3)c2C)ccc1OC(F)F 3295664 SQZFRDUGFPVJFI-MRXNPFEDSA-N 437.439 3.934 0 40 IHAB COc1ccccc1N1CCN(C(=O)[C@@H](CC(C)C)NC(=O)C2CCC(C)CC2)CC1 4747603 ZXZRWOZBEAWKIL-XVAXZDLZSA-N 429.605 3.701 0 40 IHAB COCCNC(=S)N(Cc1ccc(F)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O 6300419 YTYJJDAQUNAQOW-UHFFFAOYSA-N 427.545 3.807 0 40 IHAB Cc1ccc(S(=O)(=O)CCC(=O)OCCOc2ccc(Br)cc2)cc1 8626174 UBYYEPRBEYXTCV-UHFFFAOYSA-N 427.316 3.544 0 40 IHAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccccc3Cl)cc2)no1 8994342 UOVLKCCRIANZNS-CYBMUJFWSA-N 435.889 3.843 0 40 IHAB Cc1cccc(N(Cc2ccccc2)C(=O)CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)c1 9056724 MVYVBEIMRSPDKN-UHFFFAOYSA-N 441.487 3.519 0 40 IHAB Cc1ccc(NC(=O)COC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c(C)c1 9170481 AATDOLIOZJFWHJ-UHFFFAOYSA-N 444.553 3.582 0 40 IHAB CC(=O)Nc1ccc(S(=O)(=O)Nc2nn(CC(C)C)c3nc4ccccc4cc23)cc1 9187822 GBDMKDAHDMLQCG-UHFFFAOYSA-N 437.525 4.000 0 40 IHAB CCOC(=O)C1=C(C)Oc2ncn3nc(-c4cccnc4)nc3c2[C@@H]1c1ccc(OC)cc1 9348835 PJOOLBOSKMZPIX-LJQANCHMSA-N 443.463 3.556 0 40 IHAB COc1ccc(-n2nc3c(c2NC(=O)COc2ccc4ccccc4c2)C[S@@](=O)C3)cc1 9413277 NTPVOCMYQLCOAH-YTTGMZPUSA-N 447.516 3.814 0 40 IHAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NCc1ccc(Oc3ccc(F)cc3)cc1)C2=O 9579728 WCIGQJOUYMYJNV-FYSMJZIKSA-N 439.487 3.735 0 40 IHAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN1c2ccccc2C[C@H]1C 9635525 VGDVGOZAAGYKNH-GOSISDBHSA-N 439.556 3.710 0 40 IHAB CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)CC(C)C)c1 9907937 KBXGIQPIJXYMIY-UHFFFAOYSA-N 437.540 3.810 0 40 IHAB C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)Nc2ccc(F)c(F)c2)C1=O 9963969 YJODLUFTBWDQLQ-GOSISDBHSA-N 428.222 3.677 0 40 IHAB CC(=O)c1cccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(C)cc2)c1 10128364 IFZOADWMTHBWCL-QHCPKHFHSA-N 436.533 3.726 0 40 IHAB COc1cc(C(=O)NCc2ccccc2Cn2cccn2)cc(OC)c1Br 10235298 HCOVOMRPGUYBRU-UHFFFAOYSA-N 430.302 3.641 0 40 IHAB CCOc1ccc(CCC2CCN(C(=O)c3ccc(NS(C)(=O)=O)cc3)CC2)cc1 10393884 BIVWWKQIMHEMOH-UHFFFAOYSA-N 430.570 3.942 0 40 IHAB Cc1ccc(O[C@H](C)C(=O)N2CCC[C@@H](c3nc4ccc(F)cc4cc3C(N)=O)C2)cc1 12256199 GYTXKVIDAIEGRE-IAGOWNOFSA-N 435.499 3.955 0 40 IHAB Cc1nn(CC(C)C)c2sc(C(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)cc12 12261119 WPZQKOGFRKACER-UHFFFAOYSA-N 432.571 3.854 0 40 IHAB COCCn1c(SCc2ccc(C(F)(F)F)cc2)nnc1-c1cn(C)nc1OC 12422665 MVPQXDFQSCUBDB-UHFFFAOYSA-N 427.452 3.645 0 40 IHAB CCc1ccc(OC[C@@H](O)Cn2c(CNC(=O)c3ccccc3)nc3ccccc32)cc1 12549743 FUQNPAUXQYXOGU-NRFANRHFSA-N 429.520 3.969 0 40 IHAB O=C1c2ccccc2N[C@H](c2cccc(Br)c2)N1CCCN1CCOCC1 12608723 SDUBSIJFTJJMEU-FQEVSTJZSA-N 430.346 3.738 0 40 IHAB O=C(CCCOc1ccc(F)cc1)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 12809122 MEJRKZPLAQMEHB-UHFFFAOYSA-N 446.544 3.749 0 40 IHAB CC(=O)Nc1ccc(-c2csc(NC(=O)[C@H]3CCCN3C(=O)c3ccco3)n2)c(F)c1 12809856 JTVPGRVECBMGNC-QGZVFWFLSA-N 442.472 3.744 0 40 IHAB COc1ccc(CN(C)C(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)c(OC)c1 12875028 CGYXSTLXJKZYQJ-QHCPKHFHSA-N 432.520 3.704 0 40 IHAB COc1ccc([C@@H]2C(=O)N(c3ccccc3OC)CC(=O)N2c2ccc(OC)cc2)cc1 12889613 ARWKYLKFZSJBEP-XMMPIXPASA-N 432.476 3.834 0 40 IHAB biogenic CC(=O)c1ccc(OC[C@@H](O)Cn2cnc3scc(-c4ccc(F)cc4)c3c2=O)cc1 12912062 RINKZBKEPSQDIV-SFHVURJKSA-N 438.480 3.907 0 40 IHAB COc1cccc([C@@H](CNC(=O)C(=O)c2c(C)nn(-c3ccccc3)c2C)N2CCCC2)c1 13010397 MDFWVGYPTULKHC-HSZRJFAPSA-N 446.551 3.634 0 40 IHAB COc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)cc1S(=O)(=O)NC1CC1 13022675 GVEKQBYDXBUPBB-NSHDSACASA-N 443.352 3.934 0 40 IHAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 13028542 VJOVOYLDJDKHRP-HXUWFJFHSA-N 429.524 3.659 0 40 IHAB CCOc1ccccc1NC(=O)CNc1cc(S(=O)(=O)N2CCCCC2)ccc1C 13042347 IJDUUDNABIMZCF-UHFFFAOYSA-N 431.558 3.619 0 40 IHAB COC(=O)c1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)cc1 13680246 MUGMNVHSDZSMAC-UHFFFAOYSA-N 430.507 3.612 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1 13712028 UAVLLVUOYXEVSZ-GOSISDBHSA-N 438.933 3.700 0 40 IHAB COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1OC 13913903 HHLZRBHGNATXNO-NTUHNPAUSA-N 430.526 3.530 0 40 IHAB CCn1c(CC(=O)Nc2ccccc2C)nnc1SCC(=O)Nc1ccc(F)cc1 13955814 PHAFEJPXEKWQHY-UHFFFAOYSA-N 427.505 3.658 0 40 IHAB CCOc1c(Br)cc(C(=O)Nc2ccccc2SCC(N)=O)cc1OC 14095123 DRAJHMBCRDAYNM-UHFFFAOYSA-N 439.331 3.686 0 40 IHAB Cn1ncc2c(N3CCN(C(=O)[C@@H](Sc4ccccc4)c4ccccc4)CC3)ncnc21 14731240 RRPDPFUMCKQYQV-NRFANRHFSA-N 444.564 3.546 0 40 IHAB NC(=O)COc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)O)c3-c2ccc(F)cc2)cc1 15082788 ZOVAUVAZEJQFPG-OAHLLOKOSA-N 440.452 3.591 0 40 IHAB COc1ccccc1CNC(=O)C1CCN(c2ncnc3c2sc2ncccc23)CC1 16841578 BBQDJDBSNURATA-UHFFFAOYSA-N 433.537 3.781 0 40 IHAB O=C(NC1CCCC1)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)O)sc2c1CCC2 17096041 OWWBZGDRILUOGN-QISBLDNZSA-N 428.554 3.761 0 40 IHAB Cc1cc(-c2cnc(N(C)C)nc2CN(Cc2ccccc2)C(=O)c2oc(C)nc2C)on1 19123590 OTUFIUJKVCZHNU-UHFFFAOYSA-N 446.511 3.953 0 40 IHAB O=C1[C@@H]2[C@H](C(=O)N1c1ccc(Br)cc1)[C@H](c1ccc(Cl)cc1)N1CCCN21 19171611 ZTLSBLCLYFIIBS-SQNIBIBYSA-N 446.732 3.638 0 40 IHAB CCNC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CN(C(=O)C2CCCCC2)CCO1 19529238 MXQWRRVORVNYSO-AREMUKBSSA-N 435.568 3.605 0 40 IHAB COc1cc(CN2CCN(C)C(=O)[C@@H](Cc3ccccc3-c3cccnc3)C2)cc(OC)c1 19589629 MTASABHOTOPJKS-QHCPKHFHSA-N 445.563 3.899 0 40 IHAB CNC(=O)c1sc2ncccc2c1[C@@H]1CN(Cc2cc3cccc(OC)c3o2)CCO1 19703253 YUXNRODRUHABDU-SFHVURJKSA-N 437.521 3.984 0 40 IHAB CNc1cc(CN(C)C(C)=O)nc([C@H]2CCCN(C(=O)C3(c4ccccc4)CCCC3)C2)n1 19709768 UBTCJEMNGWLWBW-FQEVSTJZSA-N 449.599 3.715 0 40 IHAB Cc1nc([C@H]2CCCN2C(=O)c2n[nH]c3c2CCCC3)ncc1C(=O)Nc1ccc(F)cc1 19755074 XTCFWZJWYRWYRA-HXUWFJFHSA-N 448.502 3.756 0 40 IHAB Cc1ncc(C(=O)NCc2ccccc2)c(CC2CCN(C(=O)[C@@H]3CC34CCC4)CC2)n1 19757293 CSYJVYGOQWMEME-QFIPXVFZSA-N 432.568 3.686 0 40 IHAB C[C@@H](NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1)c1ccc(F)cc1 20050692 QUTLQRVJUFZHRA-OPAMFIHVSA-N 440.496 3.659 0 40 IHAB CCN1c2cc(OC)c(OC)cc2C(C)=C(C(=O)Nc2cc(C)cc(C)c2)S1(=O)=O 20064030 CMNYMQSHGHRWMV-UHFFFAOYSA-N 430.526 3.860 0 40 IHAB COc1ccc(C(=O)N[C@H](N2CCN(c3ccccc3)CC2)C(Cl)(Cl)Cl)cc1 20132218 ZSIMECDYCMHTJB-LJQANCHMSA-N 442.774 3.944 0 40 IHAB CCC[C@]1(C(=O)OCC)N[C@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 20150569 OIKYCLFXMWKDDE-SMTRIPRVSA-N 438.499 3.686 0 40 IHAB O=C(c1ccccc1Cl)N1CCC(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 20611992 KGAKBFAWCUHMBT-UHFFFAOYSA-N 429.923 3.680 0 40 IHAB Cc1cc2nn(-c3ccccc3)nc2cc1NC(=S)NC(=O)c1ccc2nsnc2c1 21595576 IFMSBBZFWGHIMZ-UHFFFAOYSA-N 445.533 3.860 0 40 IHAB Cc1c(C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@@H]2CCCO2)oc2ccc(F)cc12 21650269 FNATYBNAOOLYQF-INIZCTEOSA-N 435.455 3.938 0 40 IHAB S=c1n(CN2CCN(C/C=C/c3ccccc3)CC2)nnn1-c1ccc(Cl)cc1 22029573 ZMXQQIMLLNVVPA-QPJJXVBHSA-N 426.977 3.740 0 40 IHAB CCOc1cc2c(cc1CNC(=O)CSCC(=O)Nc1ccc(C)cc1)O[C@@H](C)C2 24318820 OWDRGIULBPMUCX-INIZCTEOSA-N 428.554 3.705 0 40 IHAB Cc1cccc2c(=O)n(CCCC(=O)N3CCC[C@H]3c3ccc4c(c3)OCCO4)cnc12 24865199 VAUDRJYWHWFETE-FQEVSTJZSA-N 433.508 3.620 0 40 IHAB C[C@@H](OC(=O)C1C[C@@H]2CCC[C@H](C1)C21SCCS1)C(=O)Nc1ccc(C(N)=O)cc1 26112674 PRPYTHOOOFZHGA-HZTRTUMWSA-N 448.610 3.658 0 40 IHAB O=C(Nc1ccc(OC(F)(F)F)cc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 27799286 KUEWAJCTJLXKGS-UHFFFAOYSA-N 446.422 3.764 0 40 IHAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NCCCCCc1nc(-c2cccs2)no1 32772737 MNCHJVNZVUXTFF-GOSISDBHSA-N 430.530 3.675 0 40 IHAB COCCn1c(S[C@H](C)C(=O)NC(=O)NC2CCCCC2)nnc1-c1cccc(C)c1 32911089 BMRWBGXDWUYFFJ-MRXNPFEDSA-N 445.589 3.539 0 40 IHAB CN1CCc2nc(NC(=O)c3cccnc3Sc3ccc4c(c3)OCCO4)sc2C1 32997977 QOQPQDZRABCCJF-UHFFFAOYSA-N 440.550 3.701 0 40 IHAB Cc1ccc(Cn2c(N3CCC(C(=O)NCC(C)C)CC3)nc3ccsc3c2=O)cc1 33302462 HVRXETHIYWPZQT-UHFFFAOYSA-N 438.597 3.803 0 40 IHAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1Cl 33475976 SBESVYXRJIWESS-SECBINFHSA-N 437.732 3.961 0 40 IHAB CCN(CC)CCOc1ccc(NC(=O)/C=C/c2cc(OC)c3c(c2)OCCO3)cc1 40042969 SCPAOUCIYOVRKL-IZZDOVSWSA-N 426.513 3.839 0 40 IHAB CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 48362713 ZMHPQEBESKQQLH-MRXNPFEDSA-N 433.430 3.694 0 40 IHAB Cc1cc(C)cc(C(=O)NC2CCN(C(=O)c3cn(-c4ccc(C)c(C)c4)nn3)CC2)c1 49406370 DOVBQKKTYXZGQP-UHFFFAOYSA-N 431.540 3.536 0 40 IHAB Cc1ccc(C)c(-n2c(=O)c3sccc3n(CC(=O)NCCCc3ccccc3)c2=O)c1 57492676 LSNKXYGTOXSHDG-UHFFFAOYSA-N 447.560 3.580 0 40 IHAB C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 59370100 BMQPUKFNHSTVLQ-HXUWFJFHSA-N 449.576 3.687 0 40 IHAB COc1cc(/C=C/C(=O)NCCC(=O)O)cc(Br)c1OCc1ccc(C)cc1 62715534 PXQMKMBZDVZYEN-BQYQJAHWSA-N 448.313 3.949 0 40 IHAB O=C(NCc1ccc(Cl)cc1)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 64985320 RESUASPGEFCEJW-OAQYLSRUSA-N 442.924 3.613 0 40 IHAB O=C(O)[C@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1cc(Cl)cc(Cl)c1 71980659 NIGGTDPAOGTUIQ-LJQANCHMSA-N 449.334 3.911 0 40 IHAB Cc1occc1-c1nc(N2CCC(NC(=O)C3CCCC3)CC2)ncc1-c1cnccn1 72396875 YWZQSOYYGAFOPG-UHFFFAOYSA-N 432.528 3.777 0 40 IHAB COc1ccc(-c2noc(CN3CCC[C@H](NC(=O)Nc4cccc(C)c4)C3)n2)cc1F 77100808 QWWQXNIPXPMWOE-SFHVURJKSA-N 439.491 3.979 0 40 IHAB CCOc1ccccc1OCC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)CC[C@H]1C(F)(F)F 95993586 GTFPMUOUHADAET-YOEHRIQHSA-N 446.466 3.911 0 40 IHAB COc1ccccc1CN(C[C@H]1CCCO1)C(=O)c1cc(C2CC2)nc2c1c(C)nn2C 108634545 XJLOKJCVMXUKJT-LJQANCHMSA-N 434.540 3.984 0 40 IHAB Cc1cccc(C)c1NC(=O)CSc1nnc([C@H](C)NC(=O)c2ccccc2F)n1C 108924196 RIKSHAWIWQXXQV-HNNXBMFYSA-N 441.532 3.793 0 40 IHAB CC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(Br)cc2)cc1 138781753 GZRDVGPEBIDQSE-UHFFFAOYSA-N 447.285 3.552 0 40 IHAB CCOC(=O)c1ccc(C)c(NC(=O)CCCN(c2cccc(C)c2)S(C)(=O)=O)c1 219620445 RAYMHZKPKKKEPP-UHFFFAOYSA-N 432.542 3.665 0 40 IHAB CC(C)Oc1cccc(N(CC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)c1 220111653 HCCUYXGEVLDYGT-HXUWFJFHSA-N 446.569 3.658 0 40 IHAB COC(=O)c1cn(C(=O)CCCN(c2cc(C)ccc2C)S(C)(=O)=O)c2ccccc12 222606028 SZCKNCAODRBNCF-UHFFFAOYSA-N 442.537 3.931 0 40 IHAB O=C(NCCCO)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccccc1 223066006 CGWKJQZXUMQORF-SANMLTNESA-N 444.575 3.758 0 40 IHAB CC[C@H](C(=O)NCCOc1ccccc1C(C)C)N(c1cccc(C)c1)S(C)(=O)=O 223802196 ULAOFKXIZSJPIQ-OAQYLSRUSA-N 432.586 3.858 0 40 IHAB COc1ccccc1OC[C@H](C)NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1 223930395 WECNXDKVHOCJKB-KRWDZBQOSA-N 440.521 3.693 0 40 IHAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)N[C@H](C)c3ccc(C)c(C)c3)s2)cc1 224041523 OPKIEWURBXMIHN-OAHLLOKOSA-N 430.555 3.755 0 40 IHAB COc1ccc(OC)c([C@H](C)NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)c1 225720818 FUJXKWCDLKSTEA-ZDUSSCGKSA-N 436.555 3.701 0 40 IHAB COCc1ccc(OC)c(CN2CCO[C@@H](c3cccc(Nc4nnc(C)s4)n3)C2)c1 257229803 FZNZJDXIFAQWRC-HXUWFJFHSA-N 441.557 3.714 0 40 IHAB CCN1CCN(C(=O)c2cccnc2O)C[C@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 257241723 HZIMHHWPKMFPFD-FQEVSTJZSA-N 447.510 3.757 0 40 IHAB CCCn1cc(S(=O)(=O)N2CCC(c3cccc(Nc4ccccn4)n3)CC2)c(C)n1 257254496 KDHNIKJWZJEDSP-UHFFFAOYSA-N 440.573 3.703 0 40 IHAB Cc1ccc(C)c(N([C@H](C)C(=O)NCc2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1 260746207 UKXKMIXQTMIWMY-OAHLLOKOSA-N 428.476 3.793 0 40 IHAB Cc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)C[C@H](C(=O)NCC1CCCCC1)O2 260853147 VKEDQPDXLILJKN-JOCHJYFZSA-N 428.554 3.648 0 40 IHAB COc1ccc(OC)c(CNC(=O)c2nc(-c3ccnn3C3CCCC3)n3ccncc23)c1 306138767 SGRYFQVCTHQWNA-UHFFFAOYSA-N 446.511 3.655 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1c(Cl)cccc1Cl 408607158 NBSFJLNYFUYLMV-VIFPVBQESA-N 437.732 3.961 0 40 IHAB COc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(C)cc2)cc1 409058410 OLVXTTQVOQUABJ-LMOLPZMTSA-O 448.930 3.673 0 40 IHAB C[C@H](C(=O)Nc1ccc(Br)c(Cl)c1)N(c1ccccc1)S(C)(=O)=O 409263185 IDCISMQVFFNANU-LLVKDONJSA-N 431.739 3.896 0 40 IHAB Cc1ccc(-n2cnnc2SCC(=O)N2CCN[C@H](c3cccc(Cl)c3)C2)cc1C 513987335 LEXPAMKZXKNGMI-FQEVSTJZSA-N 441.988 3.803 0 40 IHAB CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)N(Cc2ccc(OC)cc2)C1=S 2730081 AJIROMGQGCWMQY-GOSISDBHSA-N 431.945 3.695 0 40 IHAB Cc1c(-c2ccccc2)oc2c(C(=O)OCC(=O)N3C[C@H](C)O[C@@H](C)C3)cccc2c1=O 3359098 GFLQKRWRAKSXNR-HOTGVXAUSA-N 435.476 3.561 0 40 IHAB O=C(COC(=O)/C=C/c1ccc(Br)o1)Nc1ccc2c(c1)OC(F)(F)O2 3368818 GXMKDLNTKNNYNR-ZZXKWVIFSA-N 430.157 3.559 0 40 IHAB O=C1N[C@@H](c2cccc(Br)c2)[C@@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1 4018791 FXQFDOMPUROYRM-HUBLWGQQSA-N 449.248 3.615 0 40 IHAB CCC(C)(C)NC(=O)[C@H](c1ccncc1)N(C(=O)c1csnn1)c1ccc(F)cc1 5946011 IPNDIGBMTSHKBB-SFHVURJKSA-N 427.505 3.765 0 40 IHAB CCc1ccc(-n2nc(CO)c(C(=O)NCC(c3ccccc3)c3ccccc3)n2)cc1 8613684 SKKZOKWSEUKILR-UHFFFAOYSA-N 426.520 3.884 0 40 IHAB CCN(CC)CC(=O)Nc1ccccc1SCC(=O)Nc1ccsc1C(=O)OC 8857151 IQWGPJOOIDZSEW-UHFFFAOYSA-N 435.571 3.546 0 40 IHAB COc1ccc([C@H]2C(=O)N(c3ccccc3OC)CC(=O)N2c2ccc(OC)cc2)cc1 8876557 ARWKYLKFZSJBEP-DEOSSOPVSA-N 432.476 3.834 0 40 IHAB biogenic COc1ccc2nc(NC(=O)[C@@H](NS(=O)(=O)c3ccc(C)cc3)C(C)C)sc2c1 9218633 ZROCNAYMWPYJCV-SFHVURJKSA-N 433.555 3.555 0 40 IHAB CC(=O)Nc1ccc(-c2nnc3n(Cc4ccc(F)cc4)c(=O)c4ccccc4n23)cc1 9252099 NLSZYVJVWSMVPA-UHFFFAOYSA-N 427.439 3.857 0 40 IHAB CCc1ccc(C(=O)c2cn(CC(=O)NCc3ccccc3)c3nc(C)ccc3c2=O)cc1 9268141 VEEWOPQIJFFXHY-UHFFFAOYSA-N 439.515 3.815 0 40 IHAB CCCc1nnc2n1N[C@@H](c1ccc(OC)cc1)[C@H](C(=O)Nc1ccccc1OC)S2 9295129 OLWMFSFCFAQUDG-VQTJNVASSA-N 439.541 3.646 0 40 IHAB C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccc(COc3ccccc3)cc2)C1=O 9502190 DOXPWFSJNDHGKP-SANMLTNESA-N 443.503 3.854 0 40 IHAB C[C@@H](Sc1nnc(S[C@H](C)C(=O)NC2CCCC2)s1)C(=O)NC1CCCC1 9642661 URDAPOXQVLIYIK-VXGBXAGGSA-N 428.649 3.617 0 40 IHAB C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1ccc(F)c(Cl)c1 9667866 RLHHNDTXLKCIRZ-SECBINFHSA-N 435.702 3.547 0 40 IHAB Cc1ccc(S(=O)(=O)[C@H](CNS(=O)(=O)c2ccc(F)c(C)c2)c2ccco2)cc1 9740569 LDMFTITXSKSWNT-HXUWFJFHSA-N 437.514 3.529 0 40 IHAB Cc1ccc(CS(=O)(=O)c2cn(CC(=O)NCc3ccccn3)c3ccccc23)cc1 9829882 CZDRYBFOQYELKL-UHFFFAOYSA-N 433.533 3.635 0 40 IHAB CCCN(CC(=O)Nc1ccc(Br)cc1)Cc1nc2ccsc2c(=O)[nH]1 10088171 KZFOSLYAHBEOFE-UHFFFAOYSA-N 435.347 3.598 0 40 IHAB Cc1ccc(C)c(N([C@H](C)C(=O)NCCSCc2ccccc2C)S(C)(=O)=O)c1 10313816 SXFIEVREDHVXOJ-LJQANCHMSA-N 434.627 3.816 0 40 IHAB O=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1ccc(Br)s1 11357774 ACASEJGKAIPUQT-UHFFFAOYSA-N 441.328 3.834 0 40 IHAB COc1ccccc1NC(=O)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1 12248758 RWDJUAHPASFPDY-UHFFFAOYSA-N 431.470 3.502 0 40 IHAB O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2ncnc3sc4c(c23)CCCC4)CC1 12635931 BQDYZLLPMFXVPN-UHFFFAOYSA-N 449.001 3.734 0 40 IHAB CC(C)[C@@H](NC(=O)CSc1nnnn1C1CCCCC1)c1ccc2c(c1)OCCCO2 12761012 DCDRYRJQAYDJLJ-OAQYLSRUSA-N 445.589 3.945 0 40 IHAB O=C(Cc1cccc(C(F)(F)F)c1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 12764903 OGTPGFGEWGKSJP-QGZVFWFLSA-N 445.441 3.692 0 40 IHAB O=S(=O)(NCc1ccccc1CN1CCOCC1)c1ccc(Cl)cc1C(F)(F)F 12858702 APOLREDHSAJXDV-UHFFFAOYSA-N 448.894 3.670 0 40 IHAB COc1ccc(CN(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)c(OC)c1 12875017 CGYXSTLXJKZYQJ-HSZRJFAPSA-N 432.520 3.704 0 40 IHAB C[C@@H](NC(=O)COc1c(I)cc(Cl)c2cccnc12)C1CC1 12900820 PWOGDRFLJLHYAB-SECBINFHSA-N 430.673 3.786 0 40 IHAB Cc1cc(Br)ccc1NC(=O)CCCN(C)S(=O)(=O)c1cccs1 12921065 UZYYKXQCWCPLPB-UHFFFAOYSA-N 431.377 3.858 0 40 IHAB C[C@@H](NC(=O)c1ccc(NC(=O)CSc2nncn2C)cc1)c1ccc(Cl)cc1 12926978 OVMNDEBYEJMZJU-CYBMUJFWSA-N 429.933 3.690 0 40 IHAB CC1CCN(C(=O)CSc2nc3ccccc3n2CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 13082963 KYWWBWNJDHESBL-RTBURBONSA-N 442.629 3.891 0 40 IHAB O=C(NC1CCCCC1)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 13682769 SRZLZSJBDKZZAD-UHFFFAOYSA-N 433.401 3.984 0 40 IHAB COc1cccc(N2C(=O)S/C(=C/c3cc4cc5c(cc4[nH]c3=O)OCCO5)C2=O)c1 13727518 RHRXDZDOSCDSEY-DJKKODMXSA-N 436.445 3.549 0 40 IHAB COc1ccc2cc([C@@]3(C)NC(=O)N(Cc4nc(-c5cccs5)no4)C3=O)ccc2c1 14017656 NXEALNRTIWFHMR-JOCHJYFZSA-N 434.477 3.927 0 40 IHAB CC[C@H](C)n1c(S[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)nc2ccccc2c1=O 14108854 IHPBJRLMNCVUHT-GJZGRUSLSA-N 439.537 3.893 0 40 IHAB CCCc1ccc([C@]2(C)NC(=O)N(CC(=O)c3ccc(NC(=O)C(C)C)cc3)C2=O)cc1 14109465 QGPTUCOSFCQTAE-VWLOTQADSA-N 435.524 3.884 0 40 IHAB COc1ccc(OC)c(NC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)c2)c1 15083309 DDSOLRCMOVFCCS-IYBDPMFKSA-N 432.542 3.623 0 40 IHAB CCOc1cc(CN(C(=O)Cc2n[nH]c(=O)c3ccccc23)C2CC2)ccc1OC(F)F 15180388 ZVFRRRRLNKCCPO-UHFFFAOYSA-N 443.450 3.657 0 40 IHAB Cc1ccc([C@H](Cc2ccsc2)NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)nc1 19215671 ISORDPKNLVUUOS-NRFANRHFSA-N 441.578 3.841 0 40 IHAB CCNC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCN(C(=O)c2cc(C(C)C)n[nH]2)C1 19528976 CTCUCUQCOHLCCX-AREMUKBSSA-N 445.567 3.806 0 40 IHAB COc1ccc(CC(=O)N2CCC(Cc3ccc(-c4ccncc4)cc3)(C(N)=O)CC2)cc1 19700147 UIEJUIVQODOFPD-UHFFFAOYSA-N 443.547 3.637 0 40 IHAB Cc1ncc(C(=O)NC2CCCCC2)c([C@H]2CCCN2C(=O)CC2(O)CCCCC2)n1 19766704 LFVDTZYJAASMMP-HXUWFJFHSA-N 428.577 3.596 0 40 IHAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccc(SC)cc2)cc1 20019604 WTJOUTROMGLJOB-HOTGVXAUSA-N 436.599 3.742 0 40 IHAB Cc1ccccc1[C@@H](NC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O)c1ccccc1 20452855 BSXBJRAUZMIQRD-QHCPKHFHSA-N 444.503 3.945 0 40 IHAB CCOc1cc(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)ccc1OC(F)F 21600828 QCUUJUKLTZFYFW-OAHLLOKOSA-N 434.439 3.848 0 40 IHAB Cc1ccc(N(CC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)cc1Cl 22337598 APGVRHANURDHJX-SFHVURJKSA-N 436.961 3.833 0 40 IHAB Cc1ccc(OCCNC(=O)CN(c2ccccc2F)S(=O)(=O)c2cccs2)cc1 22401349 GXQOUNZPIMVTEZ-UHFFFAOYSA-N 448.541 3.586 0 40 IHAB CCN(CC)[C@@H](CNC(=O)C[C@H]1Sc2ccccc2NC1=O)c1cccc(OC)c1 22700920 DBCOHNAFJVEPFS-PZJWPPBQSA-N 427.570 3.697 0 40 IHAB COc1ccc(Cn2nnnc2[C@H](CC(C)C)N2CCN(C3CCCCC3)CC2)cc1 22929452 XEONRGPIASBWHQ-QHCPKHFHSA-N 426.609 3.768 0 40 IHAB O=C(c1ccccc1)N1CCN(C(=O)c2ccccc2OCc2cn3ccccc3n2)CC1 27495999 QZDXKJPIIORCMN-UHFFFAOYSA-N 440.503 3.512 0 40 IHAB CCCCc1noc([C@H](C)Sc2nnc(N3CCOCC3)n2-c2cccc(F)c2)n1 27813012 KOYGEJLKFUWXNN-AWEZNQCLSA-N 432.525 3.822 0 40 IHAB C[C@@H](NC(=O)c1cn(-c2ccccc2C(F)(F)F)nn1)c1ccc2c(c1)OCCCO2 32283961 NOXKCSHIUXBAAV-CYBMUJFWSA-N 432.402 3.938 0 40 IHAB CC[C@H](C)n1nccc1NC(=O)[C@H](C)OC(=O)C1=NN(c2cc(C)ccc2C)C(=O)CC1 32670050 HTBGNLAMGRIYMD-IRXDYDNUSA-N 439.516 3.524 0 40 IHAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1nn(-c2ccc(Cl)cc2)c(C)cc1=O 32740822 BNTMSJYFFAJINR-UHFFFAOYSA-N 439.899 3.628 0 40 IHAB O=C([C@@H](Sc1nnc(C2CC2)n1Cc1ccccc1)c1ccccc1)N1CCOCC1 32741612 FBMSWJABRDYFAM-NRFANRHFSA-N 434.565 3.896 0 40 IHAB O=C(CCSc1nnc(Cc2ccccc2)o1)N1CCN(c2ccc(F)cc2)CC1 32777084 BRBGLWGOJPSUPD-UHFFFAOYSA-N 426.517 3.631 0 40 IHAB Cc1ccccc1[C@H](CC(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1Cl)NC(N)=O 32796546 ZNLZBSVYJOBKSL-VQTJNVASSA-N 445.947 3.947 0 40 IHAB C[C@@H]1CCN(C(=O)CN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)c2ccccc2S1 32859534 CDPIBTPOIFRGLP-OSPHWJPCSA-N 437.565 3.847 0 40 IHAB Cc1ccn2c(=O)cc(CN(Cc3ccco3)S(=O)(=O)c3ccc(Cl)cc3)nc2c1 32957809 GDHYUKGOANEJSQ-UHFFFAOYSA-N 443.912 3.640 0 40 IHAB CC1=C[C@@H](CNC(=O)c2cncnc2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccncc2)o1 35442795 GJKDZISWKZDZMC-ZJOUEHCJSA-N 432.528 3.749 0 40 IHAB biogenic,in-vitro COc1ccc(-c2cc(C(=O)N[C@H](C)c3c(C)nn(C)c3C)c3c(C)nn(C)c3n2)cc1 36616113 ZCPURMKSGMXWDT-CYBMUJFWSA-N 432.528 3.794 0 40 IHAB CCOc1ccc([C@H]2[C@H](C(=O)Nc3ccc(Cl)cc3)[C@H](C)Nc3ncnn32)cc1OC 36701692 QXSDTSZGRXHZRE-SVIJTADQSA-N 441.919 3.997 0 40 IHAB COc1ccc(CNC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)cc1 44792112 XKRHTHLJETYOLI-UHFFFAOYSA-N 438.549 3.824 0 40 IHAB COc1ccc(CN(c2ccc(F)cc2)S(=O)(=O)c2cccn3c(C)nnc23)cc1 49404929 IOCPPZKRJVFCQD-UHFFFAOYSA-N 426.473 3.581 0 40 IHAB Cc1ccc(NC(=O)CSc2nc3[nH]ncc3c(=O)n2-c2ccc(F)c(F)c2)cc1C 51316757 WQOKNCYRHWWMCM-UHFFFAOYSA-N 441.463 3.735 0 40 IHAB CC(=O)N1CCc2cc(C(=O)[C@@H](C)Sc3nc4ccccc4c4nc(C)nn34)ccc21 58492335 YATXPZTWMJGPOZ-CYBMUJFWSA-N 431.521 3.858 0 40 IHAB Cc1c(Br)c2ccccc2n1CC(=O)Nc1ccccc1NS(C)(=O)=O 59855412 SJVXEVRPFLYOCG-UHFFFAOYSA-N 436.331 3.722 0 40 IHAB Cc1ccn2cc(CNC(=O)C[C@H]3Sc4ccc(C(F)(F)F)cc4NC3=O)nc2c1 65563750 UJJZDZGANQKXJZ-MRXNPFEDSA-N 434.443 3.781 0 40 IHAB COC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 69121446 GABOKNPZTRSHMR-UHFFFAOYSA-N 436.917 3.554 0 40 IHAB O=C(Cn1cc(OCc2ccccc2)c(=O)cc1CO)Nc1ccc(Cl)cc1Cl 71280834 BLPMQNCXKCPNSO-UHFFFAOYSA-N 433.291 3.865 0 40 IHAB COc1ccc(CNC(=O)CN2C(=O)C(c3ccccc3)=NC23CCC(C)CC3)cc1OC 71327920 IRBDAQUBQOVCJJ-UHFFFAOYSA-N 449.551 3.558 0 40 IHAB Cc1cc2nc([C@@H]3CCCN(C(=O)c4noc5c4CCCC5)C3)cc(C(F)(F)F)n2n1 72340934 WTAOURSZGVPNCK-CYBMUJFWSA-N 433.434 3.943 0 40 IHAB COc1cc2c3cnn(Cc4cccc(OC(F)(F)F)c4)c(=O)c3n(C)c2cc1OC 79478382 AMZSZVQVRFLKAZ-UHFFFAOYSA-N 433.386 3.852 0 40 IHAB COc1ccc([C@H]2CCCN2C(=O)c2cnn(CCO[C@@H]3CCCCO3)c2C)c(OC)c1 89544812 UCWZLBUGXZPSKF-FYYLOGMGSA-N 443.544 3.729 0 40 IHAB CC[C@@H](C)n1ncc2c(C(=O)NCc3cc4c(cc3OC(F)F)OCO4)cc(C)nc21 97014164 LIHRSRRRJLQUKY-GFCCVEGCSA-N 432.427 3.971 0 40 IHAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 102325587 BETJUXFETQDKQZ-KKUMJFAQSA-N 431.385 3.653 0 40 IHAB C[C@@H]1CN(C(=S)S[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)C[C@@H](C)O1 215685644 MOKVWULACIIHPM-GPCCPHFNSA-N 433.382 3.753 0 40 IHAB COc1ccc(C)cc1N([C@@H](C)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)S(C)(=O)=O 220345914 PIHDECRXGLJDTM-FUHWJXTLSA-N 446.569 3.577 0 40 IHAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1 223288119 GMHVRQHMSBTYKR-RUZDIDTESA-N 446.547 3.850 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)Cc2ncc(C(=O)Nc3cc(Cl)ccc3C)cn2)cc1 223382896 VIPZGEMFRYRCPP-UHFFFAOYSA-N 444.944 3.820 0 40 IHAB O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)NCCOc1ccccc1 223477356 ZDTUZQYPMVBLEC-UHFFFAOYSA-N 444.940 3.731 0 40 IHAB CCCc1ccc(OCCNC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 223684651 DTHXBXDOFYPSCD-UHFFFAOYSA-N 438.977 3.562 0 40 IHAB Cc1cccc(OCCNC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)c1C 223935851 LGMWSEUTGVOADY-UHFFFAOYSA-N 444.578 3.999 0 40 IHAB CCc1ccc([C@@H](C)NS(=O)(=O)c2ccc(OC)c(I)c2)cc1 224443744 VAPNGRHDGJHANX-GFCCVEGCSA-N 445.322 3.902 0 40 IHAB COc1ccccc1OCCNC(=O)CCCN(c1ccc(C(C)C)cc1)S(C)(=O)=O 224664899 MYFYDYTWIOAFFG-UHFFFAOYSA-N 448.585 3.560 0 40 IHAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1 225297664 PFTBBPUXTGATHX-QGZVFWFLSA-N 430.448 3.897 0 40 IHAB CCc1nnsc1C(=O)N1CCO[C@@H](c2cc(Nc3nc(C)cs3)cc(C)n2)C1 257205114 AXSMFQWDGQLGRQ-MRXNPFEDSA-N 430.559 3.526 0 40 IHAB O=C(c1ccnc(-c2cncnc2)c1)N1CCC[C@]2(C[C@@H](Oc3ccc(F)cc3)CO2)C1 257211997 CBMDOBWWUCIHKZ-QPPBQGQZSA-N 434.471 3.520 0 40 IHAB COc1ccccc1Cc1cnc([C@H]2CCCCN2C(=O)CNC(=O)c2ccccc2)o1 257218935 DEXDZMZJIDLEGJ-OAQYLSRUSA-N 433.508 3.758 0 40 IHAB COc1cccc(CN(C)CC(=O)N2CCO[C@H](c3cccc(Cc4ccccc4)n3)C2)c1 257222625 DUBLTTIQZJEBJZ-SANMLTNESA-N 445.563 3.713 0 40 IHAB Cc1noc(C)c1C(=O)NC[C@H]1CC[C@H]([C@@H](NC(=O)C2CCC2)c2nccs2)CC1 257238810 HMQJJKWCMHFEMQ-GPMSIDNRSA-N 430.574 3.942 0 40 IHAB CC(C(=O)N1CCOC[C@@H](Cc2ccc3nccn3n2)C1)(c1ccccc1)c1ccccc1 257272897 NEHIWHUJVARKAK-NRFANRHFSA-N 440.547 3.753 0 40 IHAB COc1ccccc1[C@@H]1CN(C(=O)c2ccccc2Nc2nc(C)cc(C)n2)CCN1C 257302851 SERXNZAEGHUMPU-QFIPXVFZSA-N 431.540 3.975 0 40 IHAB COc1ccc(-c2cccc3nc([C@@H]4CN(C(=O)c5ccncc5)CCN4C)cn23)cc1 306124731 BXWZSFJOTJDRST-QHCPKHFHSA-N 427.508 3.534 0 40 IHAB Cc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)CCCC4=O)c(C)c3)CC2=O)cc1C 408649927 AOWSWQRJXQDCCB-GOSISDBHSA-N 434.492 3.614 0 40 IHAB COc1cccc(NC(=O)COc2ccc(S(=O)(=O)N[C@@H](C)c3ccccc3)cc2)c1 409141327 NCTOAJHORQARGN-KRWDZBQOSA-N 440.521 3.752 0 40 IHAB COc1ccc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc1I 409225761 KWFUWRRQSLQBRL-MHWRWJLKSA-N 448.260 3.701 0 40 IHAB O=C(CCCCCNC(=O)c1cnccn1)N[C@H](c1ccccc1)c1nc2ccccc2[nH]1 575444021 QUTWPSFNULWWBA-HSZRJFAPSA-N 442.523 3.549 0 40 IHAB CC(C)N1Cc2c(-c3ccccc3)ncn2[C@]2(CCCN(C(=O)Cc3ccccn3)C2)C1 585107056 PETUOFDHCQCNHT-SANMLTNESA-N 429.568 3.730 0 40 IHAB CC(=O)N1CCCCCCCN(C(C)C)Cc2cc(C(=O)N3CCC[C@@H]3CO)ccc21 643576345 XWDYQTVEGNDSSF-HSZRJFAPSA-N 429.605 3.811 0 40 IHAB CO[C@@H]1C(=O)Nc2ccc(/C=C/[C@]3(C)CC[C@H](O)[C@H](C)C3)c(O)c2[C@]1(O)c1ccccc1 1772591986 VHCOEFMALBJZLE-SBCIMGIGSA-N 437.536 3.796 0 40 IHAB CCCC[C@@H](Oc1cc2c(cc1I)C(=O)OC(C)(C)O2)C(=O)OC 1857780955 QHURHHCAENXQPP-GFCCVEGCSA-N 448.253 3.687 0 40 IHAB COc1ccc(-c2nsc3c(N4CCN(C(=O)c5cccc(F)c5)CC4)ncnc23)cc1 1370801 CFPFNBZVFFTAAP-UHFFFAOYSA-N 449.511 3.863 0 40 IHAB CCOc1cc(/C=C2/N=C(c3ccc(NC(C)=O)cc3)OC2=O)cc(Cl)c1OC(C)=O 2137965 KIYTZLZCYUJLKX-VCHYOVAHSA-N 442.855 3.967 0 40 IHAB COCCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1ccc(Cl)cc1Cl 2695123 OHCZJAXYBJMGQA-INIZCTEOSA-N 429.325 3.833 0 40 IHAB C[C@H](CCc1ccccc1)NC(=O)CCCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3 2974449 NPOYCMXBSRHDQA-OAHLLOKOSA-N 439.537 3.705 0 40 IHAB C[C@H](C(=O)N(C1CC1)C1(C(=O)Nc2ccccc2)CCCC1)N1C(=O)c2ccccc2C1=O 3258347 ZZVASJSHDOGXPS-QGZVFWFLSA-N 445.519 3.614 0 40 IHAB CCOC(=O)c1c(C2CC2)csc1NC(=O)CSc1nnc([C@@H](CC)N(C)C)o1 3349095 MZYBKGVYSLPDGT-CYBMUJFWSA-N 438.575 3.929 0 40 IHAB CSc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(Br)c(C)c1 3425900 MKLUNKAAFRGBLW-UHFFFAOYSA-N 443.388 3.739 0 40 IHAB O=C(CSc1nc(COc2ccc(Cl)cc2)n[nH]1)Nc1ccc2c(c1)OCCO2 3427718 JZJCYMRXQMUFKP-UHFFFAOYSA-N 432.889 3.539 0 40 IHAB COc1ccc(C(=O)NCc2ccccc2)cc1S(=O)(=O)NCc1ccc(Cl)cc1 3486985 SRUOGAIOYTYTLZ-UHFFFAOYSA-N 444.940 3.757 0 40 IHAB CCc1ccc(OCC(=O)N(Cc2ccc(C(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 4183320 IJMCCLDAFDTGGN-QFIPXVFZSA-N 429.582 3.967 0 40 IHAB CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2cccc(OC(C)C)c2)CC1 4711728 XEUVHORZGJLSMJ-UHFFFAOYSA-N 425.529 3.655 0 40 IHAB O=C1NC2(CCCC2)C(=O)N1CCC(=O)N1CCc2sccc2[C@H]1c1cccs1 8724244 LQUXWXMORNQFDU-SFHVURJKSA-N 429.567 3.538 0 40 IHAB O=C(c1cc2c(s1)CCCCC2)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 9052974 KCRVASKVZMWJCA-UHFFFAOYSA-N 439.002 3.817 0 40 IHAB COc1ccc2c(CCNC(=O)CN3C(=O)S/C(=C\c4cccs4)C3=O)c[nH]c2c1 9303070 BDRXGAOMOMKZBZ-ZDLGFXPLSA-N 441.534 3.633 0 40 IHAB CCOc1cc2c(cc1NCC(=O)NCC(=O)Nc1cccc(Cl)c1C)O[C@@H](C)C2 9314852 LSYRMNDJUBZYDW-ZDUSSCGKSA-N 431.920 3.537 0 40 IHAB COC(=O)N1CCc2c(sc(NC(=O)C(c3ccccc3)c3ccccc3)c2C(N)=O)C1 9325317 DUTPXVIIZKCJFY-UHFFFAOYSA-N 449.532 3.742 0 40 IHAB CCCN(Cc1nnc(-c2cccs2)o1)C(=O)c1cc(NC(C)=O)cc(NC(C)=O)c1 9614157 VSNXAAHIWBRUBU-UHFFFAOYSA-N 441.513 3.767 0 40 IHAB COc1cccc(CCNC(=O)Cc2csc(NC(=O)c3ccc(Cl)cc3)n2)c1 9627915 WVNYLAHSJWSNPS-UHFFFAOYSA-N 429.929 3.959 0 40 IHAB C[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1=O 9665449 KJJZVQCEYYLOTJ-GOSISDBHSA-N 441.793 3.644 0 40 IHAB Cc1ccc(-n2c(=O)[nH]c3c(C(=O)Nc4ccc(Cl)cc4Cl)cn(C)c3c2=O)cc1 9820836 JZXUBEXDDHINMS-UHFFFAOYSA-N 443.290 3.885 0 40 IHAB COc1cc(NC(=O)Cn2cc(C(=O)c3ccccc3)c(=O)c3ccccc32)cc(OC)c1 9855575 DMBSCCAAJHSNJR-UHFFFAOYSA-N 442.471 3.888 0 40 IHAB Cc1nc2ccccc2c(=O)n1-c1ccc(F)c(NS(=O)(=O)c2ccccc2F)c1 10186581 SPQBSIWIDBXRRR-UHFFFAOYSA-N 427.432 3.773 0 40 IHAB CCNc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)c1ccc([C@H](C)CC)cc1 10512502 UPNAQHLFGAWGGQ-OAHLLOKOSA-N 439.603 3.683 0 40 IHAB CCOC(=O)c1c(NC(=O)CSc2nnc(-c3cccs3)n2C)oc(C)c1C(C)=O 10710361 FVCJECVMGKBBKG-UHFFFAOYSA-N 448.526 3.555 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3cc(Cl)sc3Cl)CC2)cc1 11001591 IAIYKWMZYRKNOG-UHFFFAOYSA-N 433.382 3.900 0 40 IHAB COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)c2ccco2)CC1 12567738 YGDQTLXGASMFNT-HSZRJFAPSA-N 433.508 3.734 0 40 IHAB Cc1ccc(OCc2nc(C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)cs2)cc1 12774334 MDPBSIUYXYOLSD-UHFFFAOYSA-N 431.539 3.533 0 40 IHAB O=C(CCn1cnc2ccc(Br)cc2c1=O)NC1(c2ccccc2)CCC1 12775574 KPMDPYWAKNLZPO-UHFFFAOYSA-N 426.314 3.745 0 40 IHAB COc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1OC(F)F 12777224 ATIOZZYJDTXFOC-UHFFFAOYSA-N 440.468 3.724 0 40 IHAB COc1ccc(CC(=O)Nc2nc(C)c(Cc3ccc4c(c3)OCO4)s2)cc1OC 12781603 RTEJUPZURMMRRE-UHFFFAOYSA-N 426.494 3.969 0 40 IHAB Cn1c(=O)oc2cc(S(=O)(=O)Oc3ccc4c(=O)c(-c5ccccc5)coc4c3)ccc21 12852621 OJZQAYAYVBCTBF-UHFFFAOYSA-N 449.440 3.673 0 40 IHAB O=C(NCc1ccccc1)[C@H](c1ccc(Cl)cc1)N(C(=O)c1csnn1)C1CC1 12873009 VXQKTSQVKJVXLE-IBGZPJMESA-N 426.929 3.854 0 40 IHAB COc1ccc(NC(=O)c2sc(C)nc2-c2ccccc2)cc1S(=O)(=O)N(C)C 12898684 PKLUXQKRLMYTAY-UHFFFAOYSA-N 431.539 3.630 0 40 IHAB C[C@H](NC(=O)c1ccc(NC(=O)CSc2nncn2C)cc1)c1ccc(Cl)cc1 12926983 OVMNDEBYEJMZJU-ZDUSSCGKSA-N 429.933 3.690 0 40 IHAB O=C(CSc1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 13002581 OXCACSUBLBSCIX-UHFFFAOYSA-N 445.393 3.619 0 40 IHAB Cc1cc2oc(=O)cc(CN3C(=O)N[C@](C)(c4ccc5c(c4)OCO5)C3=O)c2cc1C(C)C 13039691 URSOVJCHPWULOA-RUZDIDTESA-N 448.475 3.921 0 40 IHAB Cc1cccc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2OCC(F)(F)F)c1 13137232 KSSPLPCOKHJEDK-UHFFFAOYSA-N 442.459 3.973 0 40 IHAB CCc1ccc2nc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N(C)OC)c3)sc2c1 13148107 HDJRXUFTNQUXPV-UHFFFAOYSA-N 439.946 3.946 0 40 IHAB CC(C)C(=O)N1CCN(c2ccc(Cl)cc2NC(=O)COc2ccccc2F)CC1 14291178 YUOCBUQTERSWDU-UHFFFAOYSA-N 433.911 3.801 0 40 IHAB Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1cccc(O)c1)N(CCCn1ccnc1)C3=O 15671139 XCRHYYBLZPXKEA-QFIPXVFZSA-N 429.476 3.947 0 40 IHAB CCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)N[C@H](Cc3ccccc3)C(=O)O)ccc12 16043116 LRKOUHQRTLNNGO-OXJNMPFZSA-N 437.492 3.633 0 40 IHAB biogenic COc1ccc(OC)c([C@@H]2S[C@H](C)C(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)c1 17197825 YJRHKCGDMIEMAF-CMJOXMDJSA-N 439.537 3.669 0 40 IHAB CCOC(=O)c1oc2ccccc2c1COC(=O)c1ccc(CN2C(=O)CCC2=O)cc1 17596642 QYVDGNWNIWSNLZ-UHFFFAOYSA-N 435.432 3.616 0 40 IHAB O=C(CN1Cc2ccccc2C1=O)N1CCC[C@@H](c2cc3nc(C(F)(F)F)ccc3[nH]2)C1 19375551 ANSVVEIWSLFYIX-OAHLLOKOSA-N 442.441 3.944 0 40 IHAB CCC(CC)C(=O)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)CC1CCCCC1)CC2 19500175 SPJAALQOTSTBDO-NRFANRHFSA-N 442.604 3.725 0 40 IHAB CS(=O)(=O)N1CCCc2cc([C@H](O)CN3CC=C(c4ccc(Cl)cc4)CC3)ccc21 19572428 DBQDUEHXVQIWQO-HSZRJFAPSA-N 447.000 3.875 0 40 IHAB CN(C)C(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CN(Cc2cccc(F)c2)CCO1 19580875 WJDANKFARLPIBU-AREMUKBSSA-N 433.527 3.790 0 40 IHAB Cc1nc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)COc3ccccc3)CC2)cs1 19747025 MZPZZMHGXHXZET-JOCHJYFZSA-N 441.597 3.693 0 40 IHAB Cc1cc(C)cc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(F)cc3)cc2)c1 20020315 JWDIAOXRNPXRNY-UHFFFAOYSA-N 442.512 3.939 0 40 IHAB COc1cc(NC(=S)NC(=O)COc2ccc(C)cc2)ccc1-c1ccc(CO)o1 20153671 TXIFVJFSEOSLSL-UHFFFAOYSA-N 426.494 3.648 0 40 IHAB COC(=O)C1CCN([C@@H](c2ccccc2)c2sc3nc(-c4ccco4)nn3c2O)CC1 22851759 LFAIDZLWYUQCPG-KRWDZBQOSA-N 438.509 3.731 0 40 IHAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)OCc1csc(-c2ccccc2Cl)n1 23845409 MEMRTVKHGAGDJN-UHFFFAOYSA-N 433.917 3.761 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(Cc3ccc(C(=O)Nc4ccccc4)cc3)CC2)cc1 23908141 HVYLJUSJYJWCED-UHFFFAOYSA-N 449.576 3.754 0 40 IHAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(Cl)c2Cl)C1 24757984 ZGFZMIWLIWYHDH-GFCCVEGCSA-N 432.329 3.638 0 40 IHAB COc1ccccc1-c1cc(CSc2ccc(S(=O)(=O)N3CCCC3)cn2)on1 24877163 MZSMTUACYVISNW-UHFFFAOYSA-N 431.539 3.822 0 40 IHAB O=S(=O)(Nc1ccc2c(c1)CCO2)c1cc(Br)ccc1Br 26543505 XUSSVBFARJLJCN-UHFFFAOYSA-N 433.121 3.947 0 40 IHAB Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3cc(-c4ccccc4)on3)cc2)c1C 27580801 ZRFDJJHJESPGOA-UHFFFAOYSA-N 438.465 4.000 0 40 IHAB CCSc1nnc(SCC(=O)Nc2nc3cc4c(cc3s2)OCCO4)s1 29865542 VVBKEAKQLXTNPG-UHFFFAOYSA-N 426.570 3.762 0 40 IHAB Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=S)NC(=O)c1ccc(F)cc1 32127688 XLDSBMFMYVRFQN-UHFFFAOYSA-N 426.502 3.736 0 40 IHAB Cc1[nH]c(C(=O)NCCCNc2ccc(C(F)(F)F)cn2)c(C)c1C(=O)OC(C)C 32926671 JNSCJTGFUWSNHY-UHFFFAOYSA-N 426.439 3.843 0 40 IHAB COc1ccccc1[C@@H](OC(=O)c1cccs1)C(=O)NCc1ccc2c(c1)OCO2 35289911 UITMPZFYHAIHHC-HXUWFJFHSA-N 425.462 3.700 0 40 IHAB O=c1[nH]c(O)c(C2=Nc3ccccc3N[C@H](c3c[nH]nc3-c3ccccc3)C2)c(=O)s1 36621361 STVWBHOOPSQOPX-INIZCTEOSA-N 431.477 3.570 0 40 IHAB C[C@@H](NC(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C)c1cc2ccccc2o1 40071975 SVFNMFFRZREGSX-PUAOIOHZSA-N 431.492 3.999 0 40 IHAB CCCN(C(=O)C1CCN(S(=O)(=O)CC)CC1)[C@H](C)c1ccccc1Br 40122717 KBQKXRTZIRSAQD-OAHLLOKOSA-N 445.423 3.810 0 40 IHAB O=C(CCOc1cc(Cl)ccc1Cl)Nc1cccc(S(=O)(=O)NC2CC2)c1 40141699 MOVOQPPOZYRNOM-UHFFFAOYSA-N 429.325 3.842 0 40 IHAB CCOC(=O)Cc1csc(NC(=O)[C@@H](C)Oc2ccc(C)cc2Br)n1 40141716 SXHGIPNKHWHPLT-LLVKDONJSA-N 427.320 3.726 0 40 IHAB Cc1ccc(C)c(NC(=O)Cn2cc(C(=O)N3CCCCC3)c(=O)c3ccc(C)nc32)c1 49002202 ZNYBXFWYHLWROB-UHFFFAOYSA-N 432.524 3.587 0 40 IHAB Cc1ccc2c(=O)c(C(=O)N3CCCC3)cn(CC(=O)Nc3cccc(Cl)c3C)c2n1 49002211 KWKOJXPIJDCHFK-UHFFFAOYSA-N 438.915 3.541 0 40 IHAB CCc1ccc(NC(=O)CN2CN(c3ccc(F)cc3)c3ncccc3S2(=O)=O)cc1 49411552 IXMBXHJEDOMDIB-UHFFFAOYSA-N 440.500 3.522 0 40 IHAB Cc1ccc(-n2nc(C)cc2NC(=O)Cc2c(C)nn(-c3nc(C)cc(C)n3)c2C)cc1 58367146 VIGUDGYGBORFFH-UHFFFAOYSA-N 429.528 3.880 0 40 IHAB COCC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccc2nccnc2c1 65532343 QPYMTOANEXMUEM-LJQANCHMSA-N 425.286 3.716 0 40 IHAB CCn1cc(C(=O)N2CCC(Cc3ccccc3-c3cccs3)(C(N)=O)CC2)c(C)n1 72345078 JWICGAVNDWFZIA-UHFFFAOYSA-N 436.581 3.890 0 40 IHAB Cn1cc(CN2CC[C@@H](c3cc(C(=O)NCCO)c4ccccc4n3)C2)c2cc(F)ccc21 72352653 GLCOSQFAXGHMCU-QGZVFWFLSA-N 446.526 3.577 0 40 IHAB Cc1ncc(CN2CCCC[C@@H]2Cc2c(C(=O)NCCO)sc3ccccc23)s1 72370503 QKYWPLRIIPVFMT-MRXNPFEDSA-N 429.611 3.986 0 40 IHAB CC(C)c1ccccc1OCC(=O)N1CCC[C@H](c2cc(C(F)F)n3ncnc3n2)C1 72395375 QOCQPRZIANPMME-HNNXBMFYSA-N 429.471 3.970 0 40 IHAB CCCCOCCCNC(=O)[C@@H]1c2ccccc2C(=O)N(CCOC)C12CCCCC2 79493973 LHIKAKHRULWTDI-QFIPXVFZSA-N 430.589 3.898 0 40 IHAB COc1ccc(-n2c(=O)[nH]c3cc(-c4nc(-c5ccccc5C)no4)ccc3c2=O)cc1 85601816 OSJCLCUMCSYKOZ-UHFFFAOYSA-N 426.432 3.713 0 40 IHAB Cc1nc(-n2cccc2)sc1C(=O)N1CCc2nc(NC(=O)c3ccoc3)sc2C1 96024327 XIXKTJDZVZEPRR-UHFFFAOYSA-N 439.522 3.743 0 40 IHAB O=C(NCCc1ccccc1)c1ccc2ccc(N3CCN(Cc4cccnc4)CC3)n2c1 96155941 ONCMLDBCDSFAFO-UHFFFAOYSA-N 439.563 3.629 0 40 IHAB Cn1cc(-c2cnc(Nc3ccccc3)nc2)cc1C(=O)N1CCN(c2ccncc2)CC1 96266344 YCOWGSFKKNLGMO-UHFFFAOYSA-N 439.523 3.583 0 40 IHAB CCOC(=O)c1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4)[C@H]3C2=O)cc1 101129960 DMTOWFDANFMRDL-VJBWXMMDSA-N 442.471 3.914 0 40 IHAB O=C(NCc1ccc([C@H](O)c2ccco2)s1)C(=O)Nc1ccc(OC(F)(F)F)cc1 206688297 JZFWOECTEIHKPS-MRXNPFEDSA-N 440.399 3.576 0 40 IHAB COc1ccc(OC[C@H](C)NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1 218801255 GCNAKPPCBDGXDL-HNNXBMFYSA-N 446.550 3.755 0 40 IHAB CCOc1cccc(CNC(=O)[C@@H](CC)N(c2cc(Cl)ccc2C)S(C)(=O)=O)c1 220722200 XZOAXWPNPFMYMC-LJQANCHMSA-N 438.977 3.908 0 40 IHAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccc2c(c1)OCO2 222678897 IJGRQPYNXPWWGI-ZDUSSCGKSA-N 437.323 3.818 0 40 IHAB CC[C@@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)N(c1ccc(OC)cc1)S(C)(=O)=O 222987031 AIYRSZLNYVSKMP-SBUREZEXSA-N 444.597 3.996 0 40 IHAB COc1ccc(CN(C(=O)CCc2ccccc2)[C@H](C)C(=O)NCCCOC(C)C)cc1 222994665 LPJJVAGZAVIOJA-OAQYLSRUSA-N 440.584 3.976 0 40 IHAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-n1cnnc1 223375021 RWUWRMVFHIYEBJ-VXKWHMMOSA-N 429.553 3.576 0 40 IHAB COc1ccc(N(CCCC(=O)NCc2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 224303450 NCNFBTAEQWHQFG-UHFFFAOYSA-N 444.475 3.577 0 40 IHAB CCc1ccc(OCCNC(=O)[C@H](CC)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 224313567 IJRMZXXOBRRWQB-QFIPXVFZSA-N 432.586 3.606 0 40 IHAB Cc1ccccc1OCCNC(=O)CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O 224370802 MHZKUAXKHQEJPS-UHFFFAOYSA-N 440.496 3.505 0 40 IHAB COc1cccc(CN(C(=O)COc2cccc(Cl)c2)[C@@H](C)C(=O)NCC(C)C)c1 224451568 CERCFWCEYBUTJI-KRWDZBQOSA-N 432.948 3.917 0 40 IHAB O=C(NCCSCc1ccccc1Cl)c1ccc(S(=O)(=O)N2CCCC2)cc1 225566368 SFUKMQWRADWNRT-UHFFFAOYSA-N 439.002 3.788 0 40 IHAB O=C(Nc1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 247743920 PHGWNIYLGMQIHQ-YCAMKHIRSA-N 435.483 3.841 0 40 IHAB CCc1c(C)nc2cc([C@H]3CCCN3C(=O)CC34C[C@H]5C[C@@H](CC(O)(C5)C3)C4)nn2c1O 247947756 ISJVBGNWVWMDOM-YOUPJXQBSA-N 438.572 3.691 0 40 IHAB Cc1cccc(OC(C)(C)C(=O)N2CCO[C@H](c3cccc(Nc4cnccn4)n3)C2)c1 257249885 JKDITNPCRURDFI-FQEVSTJZSA-N 433.512 3.681 0 40 IHAB COc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 408651819 BGUYYUAMASOKNH-OAHLLOKOSA-N 430.888 3.500 0 40 IHAB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1cccs1 408652510 OVSPIOUTVCLATP-HZPDHXFCSA-N 428.897 3.593 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cc(Cl)ccc2C)cc1 408661202 DVZMFIYDIVAYJO-UHFFFAOYSA-N 446.887 3.726 0 40 IHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 409133989 VFKZBDMWWFLEFV-KRWDZBQOSA-N 445.585 3.743 0 40 IHAB COc1ccc(-c2cc(C(=O)N3CCN([C@H](C(N)=O)c4ccccc4)CC3)sc2C)cc1 515032373 PCRUKTNEBHPXOJ-QHCPKHFHSA-N 449.576 3.717 0 40 IHAB O=C(NC[C@H]1CC[C@@H]2CN(C(=O)c3cccnc3)c3ccccc3CN12)c1cccs1 585110155 PWJFRGLYNLJZFP-WOJBJXKFSA-N 432.549 3.567 0 40 IHAB COc1cc(CN(C)C[C@@H](O)COc2ccc(C)cc2C)ccc1OCCCN(C)C 585270710 APBKOJBRONAOSM-JOCHJYFZSA-N 430.589 3.514 0 40 IHAB COc1ccc(F)cc1-c1ccc(C[C@]2(C(=O)N[C@@H]3CCCN(C)C3)CCCO2)cc1 643550646 LNHYYOXQPYKJOR-BWKNWUBXSA-N 426.532 3.803 0 40 IHAB C[C@@]1(c2cccc(CNC(=O)c3cccc(-c4c(F)cccc4F)c3)c2)NC(=O)NC1=O 1116383999 GEIFOVCQSNZWBT-DEOSSOPVSA-N 435.430 3.616 0 40 IHAB CCNc1ncc(C(=O)Nc2nc3ccc(I)cc3[nH]2)cc1Cl 1642100771 ACXKQKODYBRMMB-UHFFFAOYSA-N 441.660 3.900 0 40 IHAB O=C(COc1cccc2ccccc12)N1CCC(Cn2nc3c(cc2=O)CCCC3)CC1 1775966926 RJMXAKUVNHJQEH-UHFFFAOYSA-N 431.536 3.593 0 40 IHAB COc1ccc(N(C(=O)c2cnccn2)[C@@H](C(=O)NCc2ccccc2)c2ccco2)cc1 931212 FAYXGGXVXFMXGQ-HSZRJFAPSA-N 442.475 3.783 0 40 IHAB CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccco3)N3CCC(C)CC3)cc2c1 1382495 OQMAZSGMQHMZGS-JOCHJYFZSA-N 432.528 3.540 0 40 IHAB CCn1cc(-c2ccnc(SCC(=O)Nc3c(F)c(F)cc(F)c3F)n2)c(C)n1 2732631 LJXGDKMVBLGUCZ-UHFFFAOYSA-N 425.411 3.956 0 40 IHAB CCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1 3315510 RAEUUUNXYUAUHE-MDWZMJQESA-N 435.933 3.780 0 40 IHAB O=C(Nc1nnc(SCc2ccc(F)cc2)s1)[C@@H]1CC(=O)N(Cc2ccco2)C1 3346634 YDCHXRYQDKASLY-CYBMUJFWSA-N 432.502 3.550 0 40 IHAB O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1F)Nc1ccc2c(c1)OCO2 3464560 VRRLNFOWZVXWQQ-UHFFFAOYSA-N 449.463 3.984 0 40 IHAB COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCc4ccccc43)ccc2OC)cc1 3608122 JPDVPNCWDMUNFJ-UHFFFAOYSA-N 438.505 3.708 0 40 IHAB COc1cc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccccc2)c(OC)cc1Cl 6237905 PUDDYTRSHCYRHF-IBGZPJMESA-N 425.876 3.876 0 40 IHAB Cc1ccc(-n2c(S[C@H](C)c3nc4ccccc4c(=O)[nH]3)nnc2N2CCOCC2)cc1 8728121 QDEGEBXITFUYMU-MRXNPFEDSA-N 448.552 3.502 0 40 IHAB Cc1ccc(/C=C/S(=O)(=O)NCCC(=O)NCc2ccc(Cl)cc2Cl)cc1 9216602 BPUJZCVPIZAWCK-PKNBQFBNSA-N 427.353 3.898 0 40 IHAB O=C(CSc1nc2c(n1-c1ccccc1)CCCC2)N1CCN(c2ccccn2)CC1 9338035 BGSJWLMJVCUILX-UHFFFAOYSA-N 433.581 3.587 0 40 IHAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(Cc2cc3c(cc2Br)OCO3)C1=O 9412841 GJXKIWDOFCLCHN-LJQANCHMSA-N 435.249 3.674 0 40 IHAB Cc1ccc(-n2nc3c(c2NC(=O)c2cccc(Br)c2)C[S@](=O)C3)cc1 9413513 DSFYTPNBTHLNIP-AREMUKBSSA-N 430.327 3.958 0 40 IHAB CCn1c(SCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)nnc1-c1ccco1 9463648 SWAYFAXXIIVYBH-MRXNPFEDSA-N 440.525 3.785 0 40 IHAB C[C@@H](Sc1nc2ccc(Cl)cc2[nH]1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 9484320 ITTUTLVLAZFQBU-LLVKDONJSA-N 438.962 3.586 0 40 IHAB O=C(CNS(=O)(=O)c1ccc2ccccc2c1)N1CCC(c2nc3ccccc3o2)CC1 9500260 GSCMLQMCXHBBEI-UHFFFAOYSA-N 449.532 3.666 0 40 IHAB COc1ccc(C[C@H](NC(=O)c2nn(C)c(=O)c3ccccc23)c2ccc(OC)cc2)cc1 9730268 AMFMTGAXYRBVQG-QHCPKHFHSA-N 443.503 3.665 0 40 IHAB COc1ccc(-n2c(SCC(=O)NCc3cccs3)nc3ccccc3c2=O)cc1 9845513 HMJQWISVRZAAEN-UHFFFAOYSA-N 437.546 3.864 0 40 IHAB CC(C)[C@H](NC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1)c1ccc(F)cc1 9872494 HGRYCVACNQNJQL-IBGZPJMESA-N 439.578 3.737 0 40 IHAB COc1ccc(OC)c(NC(=O)COC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1 10729301 OSVWFAZPBRFHNC-NSHDSACASA-N 428.268 3.960 0 40 IHAB COc1cc(NC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)ccc1N1CCCC1=O 11446284 GDWKWCBLFKOXCD-UHFFFAOYSA-N 436.512 3.705 0 40 IHAB Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)NCc1ccc(NC(=O)c2ccco2)cc1 11535384 FJWVDXZJEAMKNH-UHFFFAOYSA-N 445.523 3.988 0 40 IHAB Cc1oc2cc(OCCN3CCC(C(N)=O)CC3)ccc2c(=O)c1-c1ccc(Cl)cc1 11866403 KXKDDUIFDSALCU-UHFFFAOYSA-N 440.927 3.998 0 40 IHAB biogenic O=C(Nc1ccc(Br)cc1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 12354751 RGODXNJXRNLJEA-GFCCVEGCSA-N 449.779 3.956 0 40 IHAB O=C(c1c(NS(=O)(=O)c2cccc(Cl)c2)sc2c1CCCC2)N1CCOCC1 12536261 KBZGLXRTPAGQMM-UHFFFAOYSA-N 440.974 3.554 0 40 IHAB CCN(CC)c1ccc(-c2nnc(SCc3cc(=O)n4cc(C)ccc4n3)n2C)cc1 12542307 KLAOZARQFHTNAM-UHFFFAOYSA-N 434.569 3.937 0 40 IHAB Cc1cnc2c(S(=O)(=O)Nc3ccc4nc(N5CCOCC5)sc4c3)cccc2c1 12630953 OGKQARGOVYKFBI-UHFFFAOYSA-N 440.550 3.790 0 40 IHAB Cc1ccc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1S(=O)(=O)N(C)C 12785008 XNTWDXQVFJGFNF-UHFFFAOYSA-N 441.557 3.701 0 40 IHAB CC(C)OC(=O)C[C@@H](NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccccc1 12879939 KGXYUDILJKUJDI-JOCHJYFZSA-N 440.515 3.877 0 40 IHAB CC(C)CCNC(=O)[C@@H](c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1 13031509 FTBCYIZILQSGSY-XMMPIXPASA-N 445.523 3.961 0 40 IHAB CCc1ccc2c(CC(=O)Nc3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)coc2c1 13148870 DHXXBZZCYYDUPU-UHFFFAOYSA-N 442.537 3.506 0 40 IHAB COc1cc(/C=C2/N=C(c3ccc(C(C)C)cc3)OC2=O)cc(Cl)c1OCC(N)=O 13564655 YSSNVOVDMIZMPH-RQZCQDPDSA-N 428.872 3.681 0 40 IHAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 14161335 UHSCXSRJOSKKHH-HXUWFJFHSA-N 426.476 3.846 0 40 IHAB O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1CC(=O)N(c1ccccc1)C1CCCCC1 15634517 BTCSZLDWPQKZJT-RUZDIDTESA-N 433.508 3.582 0 40 IHAB COc1cc(CNC(=O)c2cccnc2SCc2cc(C)on2)cc(OC)c1OC 15833685 AHIQZPXJFFBEGE-UHFFFAOYSA-N 429.498 3.626 0 40 IHAB O=S(=O)(N[C@@H](CCSc1nnnn1C1CC1)c1ccccc1)c1ccc(Cl)cc1 16375719 XUQMOESRZRPWPY-SFHVURJKSA-N 449.989 3.863 0 40 IHAB O=C(Nc1ccccc1)c1ccc(CN2CCN(S(=O)(=O)c3cccs3)CC2)cc1 16685083 QMNFMQAFALUWAZ-UHFFFAOYSA-N 441.578 3.507 0 40 IHAB COc1ccc(-c2csc(NC(=O)CS(=O)(=O)c3ccc(C)cc3)n2)cc1OC 17043569 IXDZSMRCFAUYEJ-UHFFFAOYSA-N 432.523 3.548 0 40 IHAB Cc1ccccc1C1(O)CCN(C[C@@H](O)c2ccc3c(c2)CCCN3C(=O)C(C)C)CC1 19236912 GKJSXIBMCATYHL-RUZDIDTESA-N 436.596 3.947 0 40 IHAB Cc1nc(C[C@@H](NC(=O)Cc2ccc3c(c2)CCCO3)c2ccc(Cl)cc2)cc(=O)[nH]1 19285299 LPCIFODMNWGPOA-OAQYLSRUSA-N 437.927 3.699 0 40 IHAB O=C(C1CCCCC1)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)CN(Cc2cccs2)CC3)C1 19343616 BNPPJQJOSRLTJN-GOSISDBHSA-N 440.613 3.676 0 40 IHAB CNC(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCCN(C(=O)Cc2ccccn2)C1 19591141 IXNINDRWMVAOCW-VWLOTQADSA-N 433.577 3.950 0 40 IHAB COc1ccccc1NC(=O)c1cnc([C@H]2CCCN2C(=O)c2oc(C)nc2C)nc1C 19755429 WCFDCQARHNVXIX-GOSISDBHSA-N 435.484 3.628 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1F 20006958 OPGPKBLIKDQTQR-FQEVSTJZSA-N 442.512 3.671 0 40 IHAB COC(=O)c1ccc(Nc2nc(C)c3nc(S)n(-c4ccc(C(=O)OC)cc4)c3n2)cc1 20059038 MAYBVIVHDBRMDP-UHFFFAOYSA-N 449.492 3.729 0 40 IHAB COc1ccc(C(=O)NC(=S)Nc2nc3ccc(C(=O)OC(C)C)cc3s2)cc1 20411877 PKUCBXRNKHNJQH-UHFFFAOYSA-N 429.523 3.997 0 40 IHAB CCOc1ccccc1CNC(=O)[C@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 20457093 XKBFGENNYJGIRM-ZDUSSCGKSA-N 445.368 3.863 0 40 IHAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 22390625 AUUUOSSVLVSBFD-QGZVFWFLSA-N 445.585 3.743 0 40 IHAB CC(C)Oc1ccc(N(CC(=O)NCCCc2ccc(Cl)cc2)S(C)(=O)=O)cc1 22401037 OXXDOPJSOUBJIZ-UHFFFAOYSA-N 438.977 3.642 0 40 IHAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1C 22539471 QTOQBTZJLBVIEU-RTBURBONSA-N 432.586 3.863 0 40 IHAB COc1cccc(CN(C)C(=O)c2ccc3c(=O)n4c(nc3c2)CCCCCC4)c1OC 23528323 HVHVNZANARHJQY-UHFFFAOYSA-N 435.524 3.802 0 40 IHAB Nc1nc(CSc2nnc(C3CC3)n2Cc2ccco2)nc(Nc2ccc(F)cc2)n1 27425651 WXZMQOPZNWIVCS-UHFFFAOYSA-N 438.492 3.739 0 40 IHAB O=C(NCc1ccc(N2CCOCC2)nc1)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 30669398 QRBKRWRPUAQGJG-RTBURBONSA-N 434.565 3.894 0 40 IHAB Cc1ccc(OCCNC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(C)cc3)c2)cc1 31240446 JGCSSXXFFYUNTL-UHFFFAOYSA-N 438.549 3.937 0 40 IHAB CN(C(=O)CN1CCN(C(=O)c2ccc(Cl)cc2)CC1)[C@H]1CCCc2ccccc21 32754418 OZFWRUPRMPUXBR-QFIPXVFZSA-N 425.960 3.634 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCC(c3ccc(O)cc3)CC2)ccc1C 32892981 USHQQGZYSUORLR-UHFFFAOYSA-N 430.570 3.751 0 40 IHAB COc1ccc2c(CCNC(=O)CCN3C(=O)S/C(=C\c4ccccc4)C3=O)c[nH]c2c1 33526785 WDIOHJNERWEHGX-BKUYFWCQSA-N 449.532 3.962 0 40 IHAB O=C(Cn1c(SCC(=O)N2CCc3ccccc32)nc2ccccc21)N1CCCCC1 35312092 QNKBCPZOXHAWCF-UHFFFAOYSA-N 434.565 3.730 0 40 IHAB Cc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)Nc1cccc(F)c1 46027470 ASHVTYNMTUJPQS-UHFFFAOYSA-N 427.501 3.574 0 40 IHAB COc1ccc(CN(C(=O)CSc2ccc(C(=O)N3CCCC3)cn2)C2CC2)cc1 48323937 LTECRXNRIGZXHD-UHFFFAOYSA-N 425.554 3.610 0 40 IHAB CCCn1c(SCC(=O)Nc2ccccc2C(=O)OCC)nc2ccccc2c1=O 57476811 YMOMKOMJTMDLSB-UHFFFAOYSA-N 425.510 3.714 0 40 IHAB CCc1cccc(CC)c1NC(=O)C(=O)NCC[C@](O)(c1ccc(C)o1)C(F)(F)F 57996043 GRGHQCFZQQNFCT-FQEVSTJZSA-N 426.435 3.608 0 40 IHAB Cc1c(NC(=O)CN2CCC[C@@H]2c2nc3ccccc3s2)c(=O)n(-c2ccccc2)n1C 58140680 GEJXALZRAGPXOM-LJQANCHMSA-N 447.564 3.870 0 40 IHAB COC(=O)Cn1c2c(sc1=O)[C@@H](c1ccc(F)cc1)CC(=O)N2c1ccc(F)cc1 66089731 ZQMRLJXWRAPBKS-MRXNPFEDSA-N 430.432 3.561 0 40 IHAB CN(C)c1ncc(CN2CC[C@@H](c3cc(CCOc4cccc(Cl)c4)[nH]n3)C2)cn1 72371492 QOTQLVRQOLBHEB-QGZVFWFLSA-N 426.952 3.530 0 40 IHAB CCc1nnc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C[C@H]3CCCO3)C23CCCC3)s1 72401799 VZXMDPAPBBYZHL-BEFAXECRSA-N 440.569 3.770 0 40 IHAB O=C(Nc1cccc(CN2CCC(O)CC2)c1)C1CCN(c2ccc(Cl)cn2)CC1 79019208 ABGWJAVXGGIZBP-UHFFFAOYSA-N 428.964 3.547 0 40 IHAB COc1cc(Br)c(S(=O)(=O)Nc2cc(Cl)ccc2C)cc1C(=O)O 84187891 KRUQVFYPCLZGPD-UHFFFAOYSA-N 434.695 3.919 0 40 IHAB O=C(C[C@@H](Cn1cccc1)c1ccc(Cl)cc1)N1CCn2c(nnc2C(F)(F)F)C1 95474171 LAQJHZFMEWGRAJ-HNNXBMFYSA-N 437.853 3.968 0 40 IHAB CCC[C@@](C)(O)[C@@H]1C[C@@]23C=C[C@]1(OC)[C@@]1(C)Oc4c(O)ccc5c4[C@@]12CCN(C)[C@@H]3C5 96316388 GGSNWFNWEAZKML-CXBBVPDISA-N 425.569 3.554 0 40 IHAB biogenic,in-vitro CC[C@@H](C(=O)N[C@H](C)COc1ccc(C)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 219094358 UDWSZILSRSBRCR-UZLBHIALSA-N 438.977 3.777 0 40 IHAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)N3CCc4ccccc43)Oc3ccc(C)cc32)cc1 219402755 QFGLIODBFYOUAU-DEOSSOPVSA-N 448.544 3.849 0 40 IHAB COc1cccc(-c2noc(CN(C)C(=O)C3CCN(Cc4ccccc4C)CC3)n2)c1 219405633 JFJDWBJCWYVJGT-UHFFFAOYSA-N 434.540 3.924 0 40 IHAB CC[C@@H](NC(=O)CN(c1ccc(C(F)(F)F)cc1)S(C)(=O)=O)c1ccc(OC)cc1 220050882 URJMUIUKTGIXEC-GOSISDBHSA-N 444.475 3.748 0 40 IHAB CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)COc1ccc(Br)cc1 222998956 UBWVIMLPVMYETR-IBGZPJMESA-N 433.346 3.690 0 40 IHAB CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(Br)c(C)c1 223092152 TXOLGEPVYIOJRW-FQEVSTJZSA-N 447.373 3.998 0 40 IHAB COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(C)cn1 223714273 LYBGIMLBKDDUIV-VXKWHMMOSA-N 435.553 3.501 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)COc1cc(C)ccc1C(C)C 224971429 DCPRFDMTNMYAGR-UHFFFAOYSA-N 446.569 3.929 0 40 IHAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1cc(OC)cc(OC)c1 225234338 ZSZFFCBQWONUQF-DLBZAZTESA-N 446.519 3.554 0 40 IHAB Cc1cc(Br)c(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Oc2ccccc2)cc1C 409003916 VXSVHQVGFIJACV-KDOFPFPSSA-N 433.302 3.639 0 40 IHAB COCCN1C(=O)S/C(=C/c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)C1=O 409216362 KIEDWYURRKCWAQ-CPNJWEJPSA-N 426.494 3.695 0 40 IHAB COC(=O)c1cc(NC(=O)[C@@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)ccc1Cl 409410560 NZXFXAHKXDEVOU-CQSZACIVSA-N 438.933 3.537 0 40 IHAB O=C(Nc1ccc2c(=O)cc[nH]c2c1)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1 508197624 FYSQKMYBKBQSKB-HSZRJFAPSA-N 425.444 3.723 0 40 IHAB C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1S(=O)(=O)c1ccc2nc(O)nc(O)c2c1 560847914 PZDYYDNTRWFOPD-SECBINFHSA-N 440.308 3.656 0 40 IHAB O=C(N1CC[C@@H](c2ccccc2Cl)S(=O)(=O)CC1)C1(c2ccccc2)CCOCC1 575414663 IANMBOWHIYJXSW-NRFANRHFSA-N 447.984 3.777 0 40 IHAB CC(C)n1cnc([C@@H]2CN(C(=O)c3ccsc3)C[C@]23CCCN(CC2CC2)C3=O)c1 585106651 DOWYLJLLBBDEJC-WMZHIEFXSA-N 426.586 3.784 0 40 IHAB CC(=O)N[C@@H](C(=O)N1CC[C@@H]2O[C@@H]3c4cc(Cl)ccc4OC(C)(C)[C@H]3C[C@@H]2C1)C(C)C 585261627 AFWVBGAXUWPWGK-FMOVBIEQSA-N 448.991 3.966 0 40 IHAB Cc1ccc(Cl)c(OCC2(O)CCN(CC(=O)NC(C)(C)Cc3ccccc3)CC2)c1 585272906 KOYYLLLESFMFBR-UHFFFAOYSA-N 445.003 3.992 0 40 IHAB COc1ccccc1Cc1nnc(N2CCO[C@@H]([C@H]3CCCO3)C2)n1CCc1ccccc1 670156094 KBYZVXHGXDVJGN-DNQXCXABSA-N 448.567 3.504 0 40 IHAB O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)N[C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 680114302 OOXFHIVKHNGQML-FWSIMYTDSA-N 446.595 3.671 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCC2)c2ccc(C)cc2)cc1OC 854478 PEJMDBUFIDEGTQ-UHFFFAOYSA-N 446.569 3.656 0 40 IHAB C[C@@H]1CCc2c(sc(NC(=O)Cn3nc(C(F)(F)F)c4c3CCCC4)c2C(N)=O)C1 869798 HQVYCWCQMGGHNJ-SNVBAGLBSA-N 440.491 3.705 0 40 IHAB CCc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)Nc3ccccc3OC)cc2c1 880592 FPBWYZUHNZCVSD-UHFFFAOYSA-N 438.597 3.860 0 40 IHAB O=C(CSc1nnc(-c2cccnc2)n1-c1cccc(Cl)c1)NCc1ccco1 923628 VCOWPKSSKDFGMU-UHFFFAOYSA-N 425.901 3.984 0 40 IHAB O=C(NCc1ccccc1)N1CCN(c2ncnc3c(-c4ccc(F)cc4)nsc23)CC1 1370686 FNMXVHWJCPDPEL-UHFFFAOYSA-N 448.527 3.924 0 40 IHAB COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CC(C)C)CC(=O)N32)cc1OC 2107415 GELZNRNXZQLXCV-NBGIEHNGSA-N 447.535 3.526 0 40 IHAB biogenic CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)OCc1ccccc1Cl 2649513 BXKXVOQGFBLEQT-INIZCTEOSA-N 431.938 3.623 0 40 IHAB CCOc1cccc(C2C(C(=O)OC)=CN(Cc3ccc(F)cc3)C=C2C(=O)OC)c1 2805664 PBDLCCPXAQQNKZ-UHFFFAOYSA-N 425.456 3.938 0 40 IHAB O=C(CSc1nnc(Nc2ccccc2F)s1)Nc1ccc(N2CCOCC2)cc1 3286311 NKNMQMBMXVSTLO-UHFFFAOYSA-N 445.545 3.988 0 40 IHAB O=C(CSc1nc2ccccc2s1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 3320567 UGJCJUXQZXIKTB-UHFFFAOYSA-N 433.580 3.812 0 40 IHAB Cc1sc2ncnc(SCc3cccc(S(=O)(=O)N4CCOCC4)c3)c2c1C 3436700 HMPRONPIDDLPGW-UHFFFAOYSA-N 435.596 3.621 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CNc2ccccc2N2CCCCC2)cc1 8721486 HPSXZYZQSZCHKY-UHFFFAOYSA-N 444.601 3.758 0 40 IHAB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3ccc4c(c3)OCO4)o2)c1 8748976 AQVTWRQKVDCKLA-UHFFFAOYSA-N 447.538 3.788 0 40 IHAB COc1cccc(CNC(=O)COc2cc3c(c4oc(=O)cc(C)c24)CCC(C)(C)O3)c1 8791494 ONJGGHDJNTVGQI-UHFFFAOYSA-N 437.492 3.909 0 40 IHAB biogenic CC(=O)c1ccc(N(CC(=O)NCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 8982634 JNLGDRJFYZQSPI-UHFFFAOYSA-N 436.533 3.709 0 40 IHAB CC(=O)[C@@H]1[C@@H](C(=O)c2ccco2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(F)ccc3N12 9293680 NLLYAYVSSXMHDM-ZGXDEKTJSA-N 442.446 3.981 0 40 IHAB COc1ccc2c(c1)[C@@H]1C[C@@](C)(NC(=O)[C@H]1S(=O)(=O)c1ccc(C(C)(C)C)cc1)O2 9407633 HXMNWPBJRRRFTN-LEDOBFOHSA-N 429.538 3.547 0 40 IHAB O=C(Nc1nc2c(s1)CCC2)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 9447866 AXIMKBOTJGIYAO-UHFFFAOYSA-N 445.610 3.550 0 40 IHAB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CN2CCCc3ccccc32)c1 9492475 WKBNIQHJYBJSSW-UHFFFAOYSA-N 435.549 3.903 0 40 IHAB COc1ccccc1OCCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1 9507131 TUEHWJDRCZKCLW-UHFFFAOYSA-N 446.569 3.976 0 40 IHAB CCn1c(CC(=O)Nc2ccccc2C)nnc1S[C@@H](C)C(=O)NC1CCCCC1 9541026 JFJAVTHJVCKYLQ-INIZCTEOSA-N 429.590 3.717 0 40 IHAB O=C(Nc1nc2c(F)cc(F)cc2s1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 10756882 PUYZTODPPZWBAS-JTQLQIEISA-N 443.522 3.675 0 40 IHAB C[C@@H](OC(=O)CNC(=O)c1sc2ccccc2c1Cl)C(=O)N[C@@H]1CCCC[C@H]1C 11498285 XDIKRBALKWNFBN-UMVBOHGHSA-N 436.961 3.911 0 40 IHAB Cc1cc(=O)n2c(-c3ccc(NC(=O)[C@H](C)Oc4ccc5c(c4)OCO5)cc3)csc2n1 11770700 FLJUAYBWKDDLAY-AWEZNQCLSA-N 449.488 3.866 0 40 IHAB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccc(F)cc2)n2nc(CCCO)nc2N1 11859612 VIFSOODVXVVBGM-FQEVSTJZSA-N 441.894 3.923 0 40 IHAB O=C(CCc1ncc(-c2ccccc2)o1)NCC(=O)Nc1ccccc1Br 12846387 QHGYWMCTPIXXKV-UHFFFAOYSA-N 428.286 3.792 0 40 IHAB CC(C)(C)NC(=O)[C@@H](c1ccccc1F)N(Cc1ccccc1)C(=O)c1csnn1 12871703 CYJPIQHIXYSQAB-LJQANCHMSA-N 426.517 3.976 0 40 IHAB Cc1ccc(OCCCC(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)cc1 12982673 KOPOSRNBNQIWSS-UHFFFAOYSA-N 429.948 3.590 0 40 IHAB Cc1cccc(C)c1N(C(=O)[C@H]1CSC(=O)C1)[C@H](C(=O)NC(C)(C)C)c1ccccn1 13086291 GPGRSOPVSJIYNL-UTKZUKDTSA-N 439.581 3.967 0 40 IHAB CCCCc1oc2ccccc2c1/C=C/C(=O)N(C)c1c(N)n(CCCC)c(=O)[nH]c1=O 13102235 WOTSNTKOGLDKBR-BUHFOSPRSA-N 438.528 3.684 0 40 IHAB Cc1ccc2c(c1)C(=O)C[C@H]([C@@H]1CCCN(C(=O)c3cc(-c4cnn(C)c4C)on3)C1)O2 13227498 DZHNAVJTGGCEGS-OPAMFIHVSA-N 434.496 3.578 0 40 IHAB Cc1ccccc1-c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)nn1 13663861 FTUAFKXEEVZXAM-UHFFFAOYSA-N 434.974 3.678 0 40 IHAB O=C(COc1cccc2ccccc12)NCCOc1ccc2nnc(-c3ccccc3)n2n1 13705716 PBNABKXSWFIPLE-UHFFFAOYSA-N 439.475 3.519 0 40 IHAB CCCc1nc2sc3c(N(C[C@H](C)O)C[C@@H](C)O)nc(SC)nc3c2c2c1CCC2 13786161 OHPDWQQYQUBNCS-BETUJISGSA-N 446.642 3.971 0 40 IHAB COCCCN1C(=O)c2ccc(C(=O)N(C)Cc3ccc(C(F)(F)F)cc3)cc2C1=O 14200635 GFWJJPPXUZWTHT-UHFFFAOYSA-N 434.414 3.610 0 40 IHAB C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc4c3CCCC4)cc2)C[C@@H](C)O1 15302649 GEZXTIOQBJBJPO-IAGOWNOFSA-N 428.554 3.616 0 40 IHAB COc1cc(CNCCc2ccccc2)ccc1OCc1ccc2c(c1)n(C)c(=O)n2C 16363965 PBSXDBMLYBWQST-UHFFFAOYSA-N 431.536 3.797 0 40 IHAB COc1ccc(NC(=O)CSc2nnc(Cc3ccccc3Cl)c(O)n2)c(OC)c1 16777187 LFMJZIOMCJQWBH-UHFFFAOYSA-N 446.916 3.569 0 40 IHAB COc1ccc(Cc2nn(CC(=O)Nc3ccccc3F)c(=S)n2-n2cccc2)cc1 16807187 YHOSOQKSGKCTDV-UHFFFAOYSA-N 437.500 3.904 0 40 IHAB CCc1nn(C)c(C(=O)NCCn2nc(-c3cccnc3)cc2-c2cccc(OC)c2)c1C 19521061 PUXUSVWWWBFTKI-UHFFFAOYSA-N 444.539 3.655 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(F)ccc3C)C2)cc1Cl 20016863 NNPKBFNDIIMMJU-CQSZACIVSA-N 440.924 3.836 0 40 IHAB O=C(NC1CCCCC1)c1ccccc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 20038829 NARQSPHTIFUXCP-UHFFFAOYSA-N 441.553 3.677 0 40 IHAB COc1ccc([C@H]2CC(=O)c3cnc(N4CCN(c5ccccc5)CC4)nc3C2)c(OC)c1 20101832 UUOIOGZUBFLQRK-GOSISDBHSA-N 444.535 3.733 0 40 IHAB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)Nc1ccc(Cl)cc1Cl 21131631 UZGJSTHMEPFKNW-LLVKDONJSA-N 425.243 3.667 0 40 IHAB Cc1ccc(C(=O)Nc2cccc(C(=O)OCc3cc(=O)n4cc(C)sc4n3)c2)cc1 21633408 AYPCCLMJXJJAQJ-UHFFFAOYSA-N 433.489 3.982 0 40 IHAB CCCn1c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)nc2ccccc21 22690998 DNKCCNAGIQSPSQ-MRXNPFEDSA-N 446.598 3.856 0 40 IHAB Cc1nn(Cc2ccccc2)c2sc(C(=O)NC[C@@H]3CN(CC(C)C)CCO3)cc12 22764155 CTFPIFIOLNGROH-LJQANCHMSA-N 426.586 3.541 0 40 IHAB C[C@@H]1CCC[C@@H](C)C12NC(=O)N(CN1CCN(Cc3csc4ccccc34)CC1)C2=O 22933728 UNNUTSFNDHWWMU-QZTJIDSGSA-N 440.613 3.723 0 40 IHAB CCN1CCN(C(=O)[C@@H](C)NC[C@H](c2ccc(N(C)C)cc2)c2c[nH]c3ccccc23)CC1 23907581 NGEZKGNFMZHMJM-HYBUGGRVSA-N 447.627 3.508 0 40 IHAB Cc1ccc(C)c(NC(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)c1 24977371 VESRTQBCPMAGJI-UHFFFAOYSA-N 436.493 3.526 0 40 IHAB C[C@@H](Sc1nc(CN2CCOCC2)nc2ccccc12)C(=O)N1CCc2ccccc2C1 24984778 YMANWECCLDAVBN-GOSISDBHSA-N 448.592 3.528 0 40 IHAB CCOC(=O)c1c(C)oc2ncn(C[C@H](O)Cn3c4ccccc4c4ccccc43)c(=O)c12 26698849 IUGFZCMQXRSDIM-INIZCTEOSA-N 445.475 3.644 0 40 IHAB OCCN(CCNC(=S)Nc1ccc(Cl)cc1)C(=S)Nc1ccc(Cl)cc1 27525939 GJHKABKOEYJYNX-UHFFFAOYSA-N 443.425 3.971 0 40 IHAB O=C(Nc1ccc(-n2ccnc2)nc1)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1 28094100 JLPWMYBESNIWER-LJQANCHMSA-N 425.492 3.911 0 40 IHAB CC(C)[C@H](C)NC(=O)CSc1nc(CN2CCOCC2)nc2sc3c(c12)CCCC3 32670208 MEMVQXHMNQQBSN-HNNXBMFYSA-N 448.658 3.655 0 40 IHAB Cc1ccc(C)c(NC(=O)CSc2nnc([C@H](C)NC(=O)c3ccccc3F)n2C)c1 34688070 KKSPGOZCOGVHPK-HNNXBMFYSA-N 441.532 3.793 0 40 IHAB COc1ccc2cc([C@H]3c4cc(OC)c(OC)cc4CCN3C(=O)C3CCC3)c(=O)[nH]c2c1 35315905 IUTDNPBBHXVPJX-XMMPIXPASA-N 448.519 3.828 0 40 IHAB O=C(CCn1c2c(sc1=O)[C@@H]1c3ccccc3OC[C@@H]1CS2)Nc1ccc(O)cc1 36633793 VYMFJTSLHTXXQL-YJYMSZOUSA-N 440.546 3.890 0 40 IHAB CS(=O)(=O)Nc1nc(CC(=O)N[C@@H](CCCc2ccccc2)c2ccccc2)cs1 40047352 MEVAWVVFRCHHIX-FQEVSTJZSA-N 443.594 3.938 0 40 IHAB CCn1cnc2c(-c3ccccc3)cn(CC(=O)NCc3ccc(SC)cc3)c2c1=O 48989657 IJWRCZIOMIOACS-UHFFFAOYSA-N 432.549 3.923 0 40 IHAB Cc1ccc(NC(=O)Cn2cc(C(=O)N3CCC(C)CC3)c(=O)c3ccc(C)nc32)cc1 49002236 SLEJPHJFFGGCDL-UHFFFAOYSA-N 432.524 3.524 0 40 IHAB CC(C)(C)c1ccc(C(=O)NC2CCN(C(=O)c3cn(-c4ccccc4)nn3)CC2)cc1 49405816 SJIYUCVRBIUQKM-UHFFFAOYSA-N 431.540 3.599 0 40 IHAB CCc1ccc(NC(=O)Cn2c(=O)n(CCc3cccs3)c(=O)c3sccc32)cc1 57493725 IGFGJDRVBBEXET-UHFFFAOYSA-N 439.562 3.730 0 40 IHAB O=C(NC[C@@H]([C@@H]1CCOC1)N1CCCC1)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 58433994 XLHGSNHCQYZHSA-GCJKJVERSA-N 446.567 3.967 0 40 IHAB Cc1ccccc1-n1ccn(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(=O)c1=O 67320589 XHABUNCJZXCOEA-UHFFFAOYSA-N 437.805 3.619 0 40 IHAB CCOc1ccc2nc(NC(=O)C3CCN(c4cc(-n5ccnc5)ncn4)CC3)sc2c1 70638045 KFUHXUGLRXTHMS-UHFFFAOYSA-N 449.540 3.526 0 40 IHAB Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(N(C)C(=O)[C@@H](C)n3nc(C)cc3C)c(F)c2)n1 72300837 JQRYQZDEEMTBRP-ZWKOTPCHSA-N 440.523 3.876 0 40 IHAB CN1CCC(C(=O)N2CCC[C@@H](c3nc(N)ncc3-c3ccc(C(F)(F)F)cc3)C2)CC1 72346259 WWIZXGILYBVWCX-QGZVFWFLSA-N 447.505 3.792 0 40 IHAB CCN1CCN(C(=O)c2cnc(C)cn2)[C@@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 72351934 KOHKLGYHRVKEGV-QHCPKHFHSA-N 432.499 3.507 0 40 IHAB Cc1cc(Cc2ccccc2Cl)cc([C@H]2CCCN(C(=O)c3ccc(=O)n(C)n3)C2)n1 72354133 ABMOQNGVEDWGNS-IBGZPJMESA-N 436.943 3.748 0 40 IHAB Cc1ncsc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCN2CCCCCC2)CC1 72354286 HPHBSRPHPLPBEU-OAQYLSRUSA-N 446.661 3.951 0 40 IHAB Cc1cc(C)nc(Nc2cccc([C@H]3CCCN3S(=O)(=O)CCc3ccccc3)n2)n1 72375870 MTRDGFUAMIXFPK-OAQYLSRUSA-N 437.569 3.941 0 40 IHAB COc1ccc(CN2CCC(c3cc(O)nc(-c4cccnc4)n3)CC2)c(OC)c1OC 72392789 UVUQFGCRXMMUCW-UHFFFAOYSA-N 436.512 3.650 0 40 IHAB CC(C)N1CCc2c(O)nc([C@@H]3CCCCN3C(=O)c3ccc4c(c3)C[C@@H](C)O4)nc2C1 72399105 CLVONTLHCYZYFV-IERDGZPVSA-N 436.556 3.640 0 40 IHAB Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)OCC(=O)c1ccc(Cl)s1 89643163 CLOCEJWZFAABHN-UHFFFAOYSA-N 429.947 3.826 0 40 IHAB COC(=O)C[C@H](c1oc(CSc2ccccc2Cl)cc(=O)c1O)c1ccnn1C 95477590 ZDDOGVDAIZLSBN-ZDUSSCGKSA-N 434.901 3.720 0 40 IHAB CN1C(=O)C[C@@H](CNC(=O)c2cc(Br)cc(Cl)c2O)[C@H]1c1ccccc1 96003277 FCEAZKIXXZXBOX-YVEFUNNKSA-N 437.721 3.758 0 40 IHAB O=C1[C@H]2Sc3[nH]c(=O)sc3[C@H](c3ccc(O)cc3)[C@H]2C(=O)N1c1ccc(Cl)cc1 100848387 SSAHOWUXRDKWJH-FMKPAKJESA-N 444.921 3.591 0 40 IHAB CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cccnc4)[C@@H]3C2=O)cc1 101033103 CGDNNSCPXPIDBQ-VABKMULXSA-N 429.476 3.922 0 40 IHAB O=c1c(CN2CCN(c3ccccc3)CC2)coc(O)c1CN1CC[C@@H](c2ccccc2)C1 101373663 XNFOGJBUODMBFK-JOCHJYFZSA-N 445.563 3.657 0 40 IHAB COc1ccc(NC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)cc1OC 113955630 NAPYDHNIINFPBH-UHFFFAOYSA-N 426.922 3.542 0 40 IHAB CCOc1ccc(CCC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC)cc1OCC 222910756 PDZYACNUVGTAPV-IBGZPJMESA-N 426.557 3.622 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2cccc3ccccc23)ccc1OC 222923986 MPHPRRCXAQIKDX-UHFFFAOYSA-N 426.538 3.809 0 40 IHAB Cc1ccc(OCCNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1C 223665177 PVLNILDOXQRCDL-UHFFFAOYSA-N 445.368 3.571 0 40 IHAB Cc1ccc(CN(C(=O)CCc2ccc3c(c2)OCCO3)[C@H](C)C(=O)NCC(C)C)cc1 224203706 MJIVHLKJHPSZBZ-HXUWFJFHSA-N 438.568 3.888 0 40 IHAB CC[C@@H](C(=O)Nc1nnc(SC(C)C)s1)N(c1ccc(Cl)cc1)S(C)(=O)=O 224855608 ZJGSKZKJZJCMNO-ZDUSSCGKSA-N 449.023 3.875 0 40 IHAB CCOC(=O)N1CCN(C(=O)c2ccccc2-c2ncc(-c3ccc(OC)cc3)o2)CC1 224912823 QIWOIHONAYMKPT-UHFFFAOYSA-N 435.480 3.932 0 40 IHAB COc1ccc(CCC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)C)cc1OC 225695835 HAFZNAZGCQZGPG-IBGZPJMESA-N 426.557 3.621 0 40 IHAB CCCn1c(=O)sc2cc(S(=O)(=O)Nc3ccccc3C(=O)NCC(C)C)ccc21 225725289 UJHCQXFLLBXKAP-UHFFFAOYSA-N 447.582 3.660 0 40 IHAB CN1C(=O)CCC[C@]12CN(C(=O)c1ccccc1Cn1ccnc1)C[C@H]2c1ccc(F)cc1 257278559 OCSBETDBYYOWCB-JYFHCDHNSA-N 446.526 3.691 0 40 IHAB Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(F)cc2F)cc1 408562024 XBIYVLDWFQLFRH-NRFANRHFSA-N 430.476 3.802 0 40 IHAB Cc1ccc(C)c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)c2)c1 408668888 VTGKVDFWETXOID-ZCVTWQBDSA-N 446.503 3.634 0 40 IHAB Cc1c(C)c(C)c([C@@H]2c3c(n(C)c(=O)n(C)c3=O)N=C3c4ccccc4C(=O)[C@H]32)c(C)c1C 408733575 KSVRWROEKTUIMB-SFTDATJTSA-N 441.531 3.705 0 40 IHAB O=C1c2ccccc2C(=O)N1CN(C(=O)c1ccco1)c1ccc(Br)cc1 408839875 WWMJROVGRZMBIR-UHFFFAOYSA-N 425.238 3.943 0 40 IHAB Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)Nc1cccc(N2C(=O)CN(C)C2=O)c1)CC3 543703145 FBEDAFBYHJUIIV-INIZCTEOSA-N 431.496 3.554 0 40 IHAB O=C(NC[C@@H]1CC[C@@H]2CN(C(=O)c3cccnc3)c3ccccc3CN12)c1ccccc1 585110126 MQWFYDPIZKOVQD-XZOQPEGZSA-N 426.520 3.505 0 40 IHAB NC(=O)c1cn(CC(=O)N2CCC[C@@H]2c2ccccc2Br)c2ccccc12 674837198 CYQVZEMEJZHSOC-LJQANCHMSA-N 426.314 3.866 0 40 IHAB CCOc1ccc2c(c1)[C@H](NC(=O)N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1)CCO2 681336675 RSRSZJGCKTZTNH-FOIQADDNSA-N 432.542 3.715 0 40 IHAB Cc1c(C(=O)N2CC[C@@H](Oc3ccncc3Br)C2)cnn1-c1ccccc1 1775972547 KFQUXTBWRGGOIM-MRXNPFEDSA-N 427.302 3.632 0 40 IHAB COc1ccc([C@](O)(C(=O)N2CCC[C@H]2c2ccnc(N(C)C)c2)c2ccccc2)cc1 1848352657 ANZJBZMXCSBEPS-OZXSUGGESA-N 431.536 3.756 0 40 IHAB COc1ccc(CCNC(=O)N2CC[C@@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@@H]32)cc1 1889211595 RFLWBJPNPDWPHZ-APWZRJJASA-N 434.462 3.572 0 40 IHAB Cc1nc(-c2ccc(S(=O)(=O)NCCc3ccc(-c4cnn(C)c4)s3)cc2)co1 1889264114 VPPVQEKKTHXTET-UHFFFAOYSA-N 428.539 3.633 0 40 IHAB Cc1cc(I)ccc1NC(=O)[C@@H]1CCCN1C(=O)c1cccs1 858126 ZCGUGXGAEZZVHG-AWEZNQCLSA-N 440.306 3.904 0 40 IHAB COC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)C[C@H](C(C)C)OC3 2274255 IPNUCBYVUVCVQQ-OAHLLOKOSA-N 430.551 3.810 0 40 IHAB CC[C@H]1CCCCN1C(=O)CSc1nc2c(c(=O)n1-c1ccc(F)cc1)SCC2 2459476 BGAPBUZLYPCUPX-HNNXBMFYSA-N 433.574 3.903 0 40 IHAB CCOC(=O)c1c(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)O)sc2c1CCCC2 2571222 VAPKHSZRFBSTFD-UHFFFAOYSA-N 447.353 3.733 0 40 IHAB COC(=O)Cc1csc(N/C=C2/C(=O)N(c3ccc(C)cc3)C(=O)c3ccccc32)n1 3416556 BHQPIBFFWROIMR-XDHOZWIPSA-N 433.489 3.807 0 40 IHAB COc1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2N)cc1OC 3528812 ZJBRZJBNWMBTCO-UHFFFAOYSA-N 441.557 3.704 0 40 IHAB CCCOC(=O)c1cc(NC(=O)COc2ccc(C)cc2C)ccc1N1CCOCC1 4749055 QEZZJHPWIIZCAY-UHFFFAOYSA-N 426.513 3.724 0 40 IHAB CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(OC)ccc2[nH]c1=O)N1CCc2ccccc21 8584092 KDJVJLPLLJKXDP-JOCHJYFZSA-N 444.539 3.820 0 40 IHAB O=C(CSc1nc(O)c2cnn(-c3ccccc3)c2n1)Nc1ccccc1OC(F)F 8735913 SRAQGUTUBHJQML-UHFFFAOYSA-N 443.435 3.853 0 40 IHAB CN1Cc2c(N3CCOCC3)nc3sc(C(=O)c4ccccc4)c(N)c3c2CC1(C)C 8767351 QHMUOEVTKHJYIA-UHFFFAOYSA-N 436.581 3.713 0 40 IHAB O=C(CSc1ncc(-c2ccc(Br)cc2)[nH]1)Nc1ccc2[nH]c(=O)[nH]c2c1 9224113 CIHJJVAAFSJWCW-UHFFFAOYSA-N 444.314 3.740 0 40 IHAB COc1cccc([C@@H](Nc2ncnc3c2cnn3-c2ccc(F)cc2)c2nccn2C)c1 9318838 VWVPERJCASCFHT-HXUWFJFHSA-N 429.459 3.898 0 40 IHAB COc1ccccc1C(=O)Nc1nnc(SCC(=O)NCc2ccc(C)cc2)s1 9331970 KJKNYNVHNMHOEI-UHFFFAOYSA-N 428.539 3.516 0 40 IHAB CCCCn1c(CNC(=O)C23CC4CC(CC(C4)C2)C3)nnc1S[C@@H](C)C(=O)OCC 9390938 FNMMYTXDCLVOFZ-SCUMNGBJSA-N 448.633 3.955 0 40 IHAB CN(CCCC(=O)Nc1ccc(-c2nccs2)cc1)S(=O)(=O)c1ccc(F)cc1 9466462 TUKWAHMZNLEQQD-UHFFFAOYSA-N 433.530 3.989 0 40 IHAB COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12 9491413 ZBTZSFSAJJVZHX-UHFFFAOYSA-N 445.566 3.857 0 40 IHAB O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)N(CCc1ccccc1)Cc1cccs1 9548591 LKHOGQOBRRTQHG-UHFFFAOYSA-N 437.496 3.975 0 40 IHAB CCOc1ccc(-c2ccc3nnc(SCC(=O)Nc4ccc5c(c4)OCO5)n3n2)cc1 9829078 HPHRBSIEIKNXEJ-UHFFFAOYSA-N 449.492 3.650 0 40 IHAB CC(=O)NCc1ccc(C(=O)COC(=O)c2oc3ccc(Br)cc3c2C)o1 9959158 NSYPXBDDAFDQLT-UHFFFAOYSA-N 434.242 3.773 0 40 IHAB COc1cc(/C=C2/N=C(c3ccco3)OC2=O)ccc1OC(=O)c1ccc2c(c1)OCO2 10039623 BINFICRZTMSHHR-OQLLNIDSSA-N 433.372 3.581 0 40 IHAB O=C(Nc1ccccc1C(=O)N1CCCC1)c1cccc(NS(=O)(=O)c2ccccc2)c1 10112738 XTDHTYJWAXFEHH-UHFFFAOYSA-N 449.532 3.976 0 40 IHAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)CCc2ncc(-c3ccccc3)o2)CC1 10139210 MSFTZZVKNBNITI-UHFFFAOYSA-N 447.491 3.880 0 40 IHAB COc1ccc(NC(=O)CCCN(c2cc(Cl)ccc2C)S(C)(=O)=O)c(OC)c1 10338780 FVLLVLLFDYNFCF-UHFFFAOYSA-N 440.949 3.851 0 40 IHAB O=C(CS(=O)(=O)Cc1ccccc1)N(C[C@H]1CCCO1)c1nc2c(F)cccc2s1 10620152 KFPLKAFGWGPVFJ-MRXNPFEDSA-N 448.541 3.562 0 40 IHAB CCn1c(SCC(=O)Nc2ccc(Br)cc2)nc2c(c1=O)S[C@H](C)C2 11726496 OPFBADBTJZLSSE-SNVBAGLBSA-N 440.388 3.793 0 40 IHAB Cc1cccc(C)c1OCC(=O)N1CCC[C@H]([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)C1 12182010 LKIRXMSYJZAWMB-YESZJQIVSA-N 437.466 3.500 0 40 IHAB COc1ccc(C(=O)NC(=S)N(C)c2ccccc2C(=O)NCc2ccccc2)cc1 12293661 CYRMPCZQLZTJEN-UHFFFAOYSA-N 433.533 3.776 0 40 IHAB CC1(C)CC(=O)c2cc(C(=O)NCC(=O)c3ccccc3)c(=O)n(-c3ccc(F)cc3)c2C1 12402460 SXDNSACFBRSANT-UHFFFAOYSA-N 446.478 3.744 0 40 IHAB Cc1ccc(-c2nc3ccccc3c3nnc(SCC(=O)NC[C@H]4CCCO4)n23)cc1 12462063 IVPJDOKMWPSRPH-QGZVFWFLSA-N 433.537 3.640 0 40 IHAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccc(N3CCCCC3)c3ccncc13)C2=O 12554055 NYPPYNZVHBINSM-GKVSMKOHSA-N 449.555 3.664 0 40 IHAB Cc1cc(NC(=O)CN(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)n(-c2ccccc2)n1 12921492 NVHJKHIXNGVITF-UHFFFAOYSA-N 446.338 3.997 0 40 IHAB COc1cc(C(=O)Nc2ccc(N3CCc4sccc4C3)nc2)cc(OC)c1OC 12937904 ARPOWKNSLWVTLR-UHFFFAOYSA-N 425.510 3.984 0 40 IHAB Cc1cccc(C)c1-n1c(S[C@H](C)c2nc(N)nc(N(C)C)n2)nc2ccccc2c1=O 13007884 YOYNNYOEVNUNKR-OAHLLOKOSA-N 447.568 3.689 0 40 IHAB O=C(NCC12CC3CC(CC(C3)C1)C2)c1cccc(S(=O)(=O)NCc2ccco2)c1 13110173 MAUMCEHGJVSUOM-UHFFFAOYSA-N 428.554 3.704 0 40 IHAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3C(F)(F)F)c2)C[C@@H](C)O1 13146439 BKCXNDKPVSOVNB-OKILXGFUSA-N 442.459 3.756 0 40 IHAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cc2)C1 13580657 KTZGJQNPXDGAOP-CYBMUJFWSA-N 426.897 3.527 0 40 IHAB CC(C)CC(=O)Nc1ccc2c(c1)nc(CCCNC(=O)c1ccc(Cl)nc1)n2C 13692632 DQANQGJSKKDXJN-UHFFFAOYSA-N 427.936 3.969 0 40 IHAB Cc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccc(C(=O)O)cc3)C(=O)[C@H]2ON1c1ccccc1 13811309 JRCAJBKWMVHQDJ-VSKRKVRLSA-N 428.444 3.744 0 40 IHAB O=C(Nc1ccc(Br)cc1F)C1CCN(S(=O)(=O)c2cccs2)CC1 15008437 OLQBMNDOKOTNLY-UHFFFAOYSA-N 447.351 3.689 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2CC(=O)Nc1ccccc1C(C)C 15400360 NDAJXGWXRKYGDC-UHFFFAOYSA-N 429.586 3.842 0 40 IHAB CCCn1c(=O)n(CCC(=O)N2CCN(c3ccccc3Cl)CC2)c2ccccc21 16199719 VFWSOFQEHSCQDH-UHFFFAOYSA-N 426.948 3.605 0 40 IHAB C[C@@H](NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1)c1ccc2c(c1)OCCO2 18891585 BBTHAYYRWFUCBV-OAHLLOKOSA-N 427.478 3.516 0 40 IHAB CC(C)n1cc(C(=O)N2CC[C@](Cc3cccc(-c4ccncc4)c3)(C(=O)N(C)C)C2)cn1 19454839 AMTXMOUBSVGFOV-AREMUKBSSA-N 445.567 3.689 0 40 IHAB COc1cccc(CNC(=O)c2cnc([C@@H]3CCN(Cc4ccc(F)cc4)C3)nc2C)c1 19758233 PRVFZJPBWJZQMN-HXUWFJFHSA-N 434.515 3.852 0 40 IHAB CS(=O)(=O)N(CC(=O)N[C@@H]1CCCc2ccccc21)c1cc(Cl)cc(Cl)c1 20488496 MXNRUFBHYBOCPD-GOSISDBHSA-N 427.353 3.953 0 40 IHAB COc1cccc(CCCNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c1 22279210 AYEQPFNNIZGZIM-UHFFFAOYSA-N 438.549 3.640 0 40 IHAB CC(C)Oc1ccc(N(CC(=O)Nc2cccc(Br)c2)S(C)(=O)=O)cc1 22380419 DGXXAWKTSFJXCU-UHFFFAOYSA-N 441.347 3.641 0 40 IHAB CCC(CC)c1nnc(NC(=O)Cc2c(C)nc3nc(C(F)(F)F)nn3c2C)s1 23075019 DWLYKPAGHCZYNU-UHFFFAOYSA-N 427.456 3.696 0 40 IHAB COc1ccc2nc(N(CCn3cccn3)C(=O)COc3ccccc3OC)sc2c1 23144807 WXIABESEKMWWGB-UHFFFAOYSA-N 438.509 3.622 0 40 IHAB Cc1sc2nc(CN3CCOCC3)nc(NCc3ccccc3CN(C)C)c2c1C 23936280 AVVAMKSOJSZTJG-UHFFFAOYSA-N 425.602 3.814 0 40 IHAB Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)Nc3ccc(Cn4cncn4)cc3)c12 24634183 QKUAQCUNOLBLHI-UHFFFAOYSA-N 429.509 3.897 0 40 IHAB Cc1ccc2nc(COC(=O)c3ccc(-c4ccc5c(c4)OCCO5)s3)cc(=O)n2c1 24849715 JYLKIUSNTFVLFS-UHFFFAOYSA-N 434.473 3.860 0 40 IHAB Cc1ccc(-c2cc(C(=O)NCc3ccnc(N4CCOCC4)c3)c3c(C)noc3n2)s1 25759506 SHSINAVLDQIJBD-UHFFFAOYSA-N 449.536 3.730 0 40 IHAB CCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCO)cc1OCC 27748429 BWIJNRMEBKPSDG-JOCHJYFZSA-N 437.492 3.826 0 40 IHAB O=C(Nc1ccnn1Cc1cccc(Cl)c1Cl)c1cccnc1N1CCOCC1 32882188 COUWNSCTQFBLQO-UHFFFAOYSA-N 432.311 3.722 0 40 IHAB COc1ccc(Cn2c(=O)[nH]c3cc(-c4nc(-c5cccc(F)c5)no4)ccc3c2=O)cc1 38655355 XDUCIDZYXNRDFL-UHFFFAOYSA-N 444.422 3.603 0 40 IHAB Cc1nccn1C[C@H](C)CNC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 40156068 HNQJBUTXSWZZCE-OAHLLOKOSA-N 436.478 3.515 0 40 IHAB O=C(COc1coc(CN2CCSCC2)cc1=O)Nc1cc(Cl)ccc1Cl 44891269 USBNQBJPOBRSFI-UHFFFAOYSA-N 429.325 3.513 0 40 IHAB COC(=O)c1c(NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)sc2c1CCCC2 44904882 NMRUPDWGBPJYPR-UHFFFAOYSA-N 442.946 3.691 0 40 IHAB Cc1cc(C)cc(C(=O)NC2CCN(C(=O)c3cn(-c4ccc(Cl)cc4)nn3)CC2)c1 49406277 GRGQGXPGYKIUSU-UHFFFAOYSA-N 437.931 3.572 0 40 IHAB CCc1cc(=O)n(CC(=O)Nc2cc(Cl)ccc2C(=O)OC)c(-c2cccc(F)c2)n1 57508322 MDSUNWBEKPHMEW-UHFFFAOYSA-N 443.862 3.691 0 40 IHAB CC(=O)N[C@H](CC(=O)N1CCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C)c1cccs1 58154601 DPAMMKGSFOJVOU-SQNIBIBYSA-N 435.590 3.706 0 40 IHAB Cc1cc2nc(SCC(=O)NCc3ccc(F)cc3)n(-c3ccc(F)cc3)c(=O)c2[nH]1 67237440 XWSIMEJHWNLPQK-UHFFFAOYSA-N 440.475 3.709 0 40 IHAB O=C(Cc1csc(-c2ccccc2Cl)n1)NS(=O)(=O)N1CCCc2ccccc21 69489108 FOVIAFLUHSALTD-UHFFFAOYSA-N 447.969 3.820 0 40 IHAB Cc1ncc(-c2ccncc2)c(C2CCN(C(=O)C[C@@H]3OC(=O)c4ccccc43)CC2)n1 72334746 IDDLTKMCWFCZGH-QFIPXVFZSA-N 428.492 3.855 0 40 IHAB CNc1nc([C@H]2CCCCN2C)nc2c1CCN(C(=O)C(C)(C)c1cccc(F)c1)C2 72376583 XTOKNOVJULRCOV-HXUWFJFHSA-N 425.552 3.677 0 40 IHAB CCc1nccn1CC(=O)NC1CCN(CC2(c3ccc(OC)cc3)CCCCC2)CC1 72393624 NIMGAEZBDUNFPM-UHFFFAOYSA-N 438.616 3.937 0 40 IHAB CC[C@@H](C)N1CN(c2ccccc2)C2(CCN(C[C@@H]3COc4ccccc4O3)CC2)C1=O 73335083 DTTVXMWPIYNNBR-IFMALSPDSA-N 435.568 3.766 0 40 IHAB C[C@@H](c1ccccn1)N1CCN(C(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)CC1 95943196 JJQHLOXLMLPBKZ-FQEVSTJZSA-N 449.576 3.575 0 40 IHAB Cc1c(C)n(Cc2ccco2)c2ncnc(NCc3ccc(S(=O)(=O)N(C)C)cc3)c12 96998778 LVTIWTDIAKNWOS-UHFFFAOYSA-N 439.541 3.552 0 40 IHAB CCOC(=O)C1=NN(c2cccc(Cl)c2)[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]12 100942697 IRDDNVUFRRBXFA-WMZOPIPTSA-N 446.290 3.599 0 40 IHAB COc1cccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)c1OC 102713211 PXSJQVJGJHFENU-FUPPJEDESA-N 430.460 3.755 0 40 IHAB CCOC(=O)[C@H]1CCCN([C@H](c2ccccc2Cl)c2sc3nc(C)nn3c2O)C1 102879024 XWJGSEFESMLQHZ-XJKSGUPXSA-N 434.949 3.823 0 40 IHAB CC[C@@H](NC(=O)COc1ccc(Br)c(C)c1)c1ccc(S(C)(=O)=O)cc1 218830462 CPVFUMPBKJZIAU-GOSISDBHSA-N 440.359 3.807 0 40 IHAB Cc1cccc(N([C@@H](C)C(=O)NCCSCc2ccccc2Cl)S(C)(=O)=O)c1 220122259 OMORGMCGYMMIAO-INIZCTEOSA-N 441.018 3.853 0 40 IHAB Cc1ccc(N([C@@H](C)C(=O)NCc2cccc(OC(C)C)c2)S(C)(=O)=O)cc1Cl 220367239 GVTCASZWBKIODT-INIZCTEOSA-N 438.977 3.907 0 40 IHAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3cccc(Br)c3)c(Cl)cc21 223362952 DBNFKIBEHNWGST-UHFFFAOYSA-N 431.695 3.831 0 40 IHAB CCCOc1ccc(N(CC(=O)Nc2ccc(OC(F)(F)F)cc2)S(C)(=O)=O)cc1 224879300 ZCAZFOVPOOTPRB-UHFFFAOYSA-N 446.447 3.779 0 40 IHAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCOCc2ccccc2)cc1 225148022 WFKHYNVAQPVQHB-JWGURIENSA-N 436.533 3.861 0 40 IHAB CS(=O)(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccs2)cc1 225384937 DAVXCMWLMBGQFV-MSOLQXFVSA-N 430.580 3.692 0 40 IHAB CCN(CC(=O)N(C)c1ccc(OC)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 226055173 RPUCZKGCIRNEIE-UHFFFAOYSA-N 431.341 3.676 0 40 IHAB CC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C[C@H]([C@H]3C2=O)[C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]42)cc1 248378531 JUKXLVWUIODHES-WWFOSYLESA-N 434.879 3.717 0 40 IHAB Cc1cc(C)n(CC(=O)N2CCCC[C@H]2c2ncc(Cc3ccccc3Cl)o2)c(=O)n1 257263321 LPHVTOVPSVPPQR-FQEVSTJZSA-N 440.931 3.846 0 40 IHAB Cc1nc([C@H]2CCCN(C(=O)C3CCC3)C2)nc(C)c1CC(=O)NCc1ccc(F)cc1 257327643 XCEMZWQOOKVZBG-FQEVSTJZSA-N 438.547 3.598 0 40 IHAB COc1ccc(N2CC[C@](C)(C(=O)Nc3ccc(OC(F)(F)F)cc3)S2(=O)=O)cc1 260840427 UZFAUZGTGYCXFP-GOSISDBHSA-N 444.431 3.531 0 40 IHAB COc1ccc(N(CC(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)S(C)(=O)=O)cc1 260924555 IMHHYLZUAGNWBC-QGZVFWFLSA-N 448.585 3.779 0 40 IHAB Cc1nnc(S/C(=C\c2cc(Cl)cc(I)c2O)C(=O)O)o1 408632033 DHHCOLIFOJLOAT-OQFOIZHKSA-N 438.630 3.559 0 40 IHAB Cc1cc(NC(=O)CCCN(c2ccccc2)S(C)(=O)=O)ccc1Br 408677216 BFPUUULNVZBMLR-UHFFFAOYSA-N 425.348 3.942 0 40 IHAB CCCOc1c(Br)cc(C(=O)N2CCNC(=O)[C@H]2c2ccccc2)cc1OC 500160725 DYNYBXLDHZNTRD-GOSISDBHSA-N 447.329 3.560 0 40 IHAB CC(C)n1cnc([C@H]2CN(C(=O)c3ccsc3)C[C@@]23CCCN(CC2CC2)C3=O)c1 585106652 DOWYLJLLBBDEJC-XXBNENTESA-N 426.586 3.784 0 40 IHAB Cc1ccccc1OC[C@]1(O)COCCN(C[C@]2(O)CC[C@@H](c3ccccc3)CC2)C1 585286706 HVUPOVPIMZIECS-DMTNHVFBSA-N 425.569 3.526 0 40 IHAB Cn1nc(C2CCN(c3nc4ccc(Br)cc4s3)CC2)n(C2CC2)c1=O 1888919670 JJGCAVZGJQQYDZ-UHFFFAOYSA-N 434.363 3.673 0 40 IHAB CCOC(=O)c1ccc(N2C(=O)[C@@H]3CS[C@H](c4ccc(OC)cc4)N3C2=S)cc1 1072858 QHBPMBHZCNXXJP-PKOBYXMFSA-N 428.535 3.620 0 40 IHAB COc1ccc(C[C@@H]2SC(=O)NC2=O)cc1C(=O)NCc1ccc(C(F)(F)F)cc1 1486389 NFFXEUUOMTXWCX-INIZCTEOSA-N 438.427 3.538 0 40 IHAB in-vitro CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(F)cc3)o2)cc1 2723440 LTEWDKWSUPSEEU-UHFFFAOYSA-N 446.504 3.939 0 40 IHAB CCCn1c(=O)c2ccccc2n2c(SCC(=O)c3[nH]c(C)c(C(C)=O)c3C)nnc12 3375289 IZKYJXMDDIQBGO-UHFFFAOYSA-N 437.525 3.577 0 40 IHAB CCc1ccc(-n2c(SCn3nnc4ccccc4c3=O)nnc2-c2ccncc2)cc1 3420539 ANXAYZWPEFBFDQ-UHFFFAOYSA-N 441.520 3.746 0 40 IHAB C[C@H](Sc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)C(=O)N1CCc2ccccc21 8901481 MWLSPXSVVXFGLY-FUHWJXTLSA-N 435.549 3.645 0 40 IHAB COc1ccc(C)cc1NC(=O)CNC(=O)CSc1nc2ccccc2n1CC(C)C 9022765 GBLXQXBVUVTAKN-UHFFFAOYSA-N 440.569 3.856 0 40 IHAB CCCCNc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)Nc1cc(F)ccc1C 9154155 FOUXZPXKAACQLM-UHFFFAOYSA-N 436.553 3.647 0 40 IHAB Cc1ccc2cc3c(NS(=O)(=O)c4cccc5nonc45)nn(CC(C)C)c3nc2c1 9187814 XQBJRURQOYIJHI-UHFFFAOYSA-N 436.497 3.886 0 40 IHAB COc1ccc(-c2nc3scc(CCNC(=O)Cc4ccc(F)cc4)n3n2)cc1OC 9568940 ONXCRERWKZIQLI-UHFFFAOYSA-N 440.500 3.516 0 40 IHAB O=S(=O)(c1cc(Br)ccc1Br)N(Cc1ccccn1)C1CC1 9606180 XBZKFINMVJXMAQ-UHFFFAOYSA-N 446.164 3.960 0 40 IHAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cccc(NC(=O)c2cccs2)c1 9780559 QNPJJMCBIHSOOW-UHFFFAOYSA-N 432.505 3.899 0 40 IHAB COc1ccc(NC(=O)Cn2cc(C(=O)c3ccccc3)c(=O)c3ccccc32)cc1OC 9855541 CSLXRKQWHLDTBR-UHFFFAOYSA-N 442.471 3.888 0 40 IHAB COC(=O)c1ccc(CNC(=O)[C@@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)cc1 10022362 RHGOMZAPAOXZHN-SFHVURJKSA-N 437.323 3.851 0 40 IHAB Cc1ccc(N2C(=O)N(CC(=O)N3CCCCCC3)c3ccccc3S2(=O)=O)cc1 10272712 GRZHYFIOYPFUAM-UHFFFAOYSA-N 427.526 3.533 0 40 IHAB COC(=O)c1ccc([C@H]2NC(=S)N(CC(C)C)C(C)=C2C(=O)Nc2cc(C)on2)cc1 11204042 OFYNTQGAZWBILL-LJQANCHMSA-N 442.541 3.570 0 40 IHAB CCN1CCN(c2ccc(NC(=O)C[C@@H]3Sc4ccc(Cl)cc4NC3=O)cc2)CC1 11952865 WQOITCXVXCRALV-FQEVSTJZSA-N 444.988 3.924 0 40 IHAB Cc1cc2c(s1)c1cnn(CC(=O)NC3CCCC3)c(=O)c1n2Cc1ccc(F)cc1 12113556 BYEZGGVTHLKRMT-UHFFFAOYSA-N 438.528 3.967 0 40 IHAB COc1ccc(NC(=O)c2cc(-c3ccccn3)c(N3CCOCC3)s2)cc1OC 12222640 VIOLEPMCKBKYND-UHFFFAOYSA-N 425.510 3.916 0 40 IHAB COc1ccc(NC(=O)Cn2nc(C(C)C)c3cnn(-c4ccccc4C)c3c2=O)cc1 12229066 WRCIYUJNJNLMGE-UHFFFAOYSA-N 431.496 3.661 0 40 IHAB Cc1c(NC(=O)COC(=O)Cc2c(Cl)cccc2Cl)c(=O)n(-c2ccccc2)n1C 12634604 GCPKJHTXQHDTDV-UHFFFAOYSA-N 448.306 3.516 0 40 IHAB CCCCN1C(=O)C[C@@H](C(=O)N(C)Cc2ccc3c(c2)OCO3)[C@H]1c1ccc(OC)cc1 12686750 HUHHLGYMPHGKQU-HYBUGGRVSA-N 438.524 3.772 0 40 IHAB O=C(NCc1ccccc1)[C@H](c1ccncc1)N(C(=O)c1csnn1)c1ccccc1F 12869929 DLTDFNXRIVUNJY-NRFANRHFSA-N 447.495 3.777 0 40 IHAB Cc1nn(CC(C)C)c(Cl)c1C(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1 13099101 UPIZVGCKKKJGIZ-UHFFFAOYSA-N 439.387 3.991 0 40 IHAB COc1ccc(-n2c(SCC(=O)Nc3cccc(O)c3)nnc2-c2cccnc2)cc1 13513309 YJDZBBFNAIJMLA-UHFFFAOYSA-N 433.493 3.774 0 40 IHAB Cc1cccc(C)c1NC(=O)Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2sccc21 13533424 REBFEYDSAYRKCC-UHFFFAOYSA-N 437.496 3.668 0 40 IHAB Cc1ccc(NC(=O)CNC(=O)[C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)c(C)c1 13557636 VBBBQBRARLYXNR-NRFANRHFSA-N 437.540 3.720 0 40 IHAB COc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccc(C)cc4)[nH]c(=O)c32)c(OC)c1 13567322 RHRWMGSIJGZFJX-QGZVFWFLSA-N 437.521 3.862 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C)c2)c2ccc(F)cc2)cc1 13612294 SQKZEQGAMIGNLB-UHFFFAOYSA-N 442.512 3.654 0 40 IHAB CC[C@H](C(=O)Nc1ccc(OC)cc1OC)N(c1cccc(Cl)c1)S(C)(=O)=O 13712041 DYKVYKSDHWPAGQ-QGZVFWFLSA-N 426.922 3.541 0 40 IHAB Cc1ccc(-c2nc(Cn3c(=O)n(C[C@H]4CCCO4)c(=O)c4ccccc43)c(C)o2)cc1 15829309 RSDKFZGRFMQOJR-LJQANCHMSA-N 431.492 3.662 0 40 IHAB COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)cc1OC 16016835 HXRVZHLUAIYWKF-UHFFFAOYSA-N 432.542 3.909 0 40 IHAB O[C@H](COCc1ccccc1Cl)CN(CCCN1CCOCC1)Cc1cccs1 16043577 WFSYPFPGNPDUTF-FQEVSTJZSA-N 439.021 3.504 0 40 IHAB O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)N[C@@H](c1ccc(F)cc1)c1cccs1 16278871 CUOVUTIBNDAEKI-IBGZPJMESA-N 427.432 3.749 0 40 IHAB C[C@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 16825189 VAXCGFODXVQFSA-NSHDSACASA-N 447.442 3.956 0 40 IHAB O=S(=O)(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1cccs1)c1ccccc1 17191386 HVFDIDXZRRQLBW-UHFFFAOYSA-N 434.564 3.690 0 40 IHAB Cc1ccc2[nH]c([C@H]3CCCN(C(=O)[C@H](C)N4CCOCC4)C3)c(-c3ccncc3)c2c1 19220145 YASMEVCIGUFZJB-FPOVZHCZSA-N 432.568 3.965 0 40 IHAB O=C(Nc1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(F)ccc2O3)cc1)C1CC1 19332385 NIEKFWQFORBKII-VXKWHMMOSA-N 440.515 3.558 0 40 IHAB O=C(c1cccs1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CN(Cc1ccccc1F)CC2 19349307 APOISSZREWPGDU-IBGZPJMESA-N 438.528 3.506 0 40 IHAB COc1ccc(-c2cc3nc([C@H](C)NC(=O)c4oc5c(c4C)C(=O)CCC5)nn3cn2)cc1 19565251 HAMSYJHCLDZPDN-AWEZNQCLSA-N 445.479 3.711 0 40 IHAB COc1cccc([C@@H]2CN(C(=O)CN3CC[C@H]4CCCC[C@@H]4C3)C[C@H]2c2csnn2)c1 19566036 CSKWEIGZPNEZTK-CMCXCUNFSA-N 440.613 3.768 0 40 IHAB CNC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CCCN(C(=O)COc2ccccc2)C1 19591121 WPVXHDJLFFSVEB-MHZLTWQESA-N 443.547 3.725 0 40 IHAB CCN(C(=O)Cc1nonc1N)[C@H]1CCO[C@@H](c2ccc(-c3ccc(OC)cc3)cc2)C1 19711987 JDQQCZYMOUFAMH-SIKLNZKXSA-N 436.512 3.639 0 40 IHAB Cc1c(-c2cc(C(=O)N3CC[C@H]4[C@H]3CCCCC(=O)N4Cc3ccccc3)on2)cnn1C 19713797 ZKAMTZWBVPBTKU-YADHBBJMSA-N 447.539 3.569 0 40 IHAB Cc1nc(N)c2c(C(F)(F)F)cc(C3CCN(C(=O)c4scnc4C)CC3)nc2n1 19743275 VNEVDEKVDCGWKY-UHFFFAOYSA-N 436.463 3.719 0 40 IHAB Cc1nc([C@@H]2CCCCN2C(=O)c2oc3ccccc3c2C)ncc1C(=O)N1CCOCC1 19765682 UEYJZXLOBODVPP-FQEVSTJZSA-N 448.523 3.679 0 40 IHAB COc1ccc(OC)c(NC(=O)Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)n3C)c1 20059019 XVXVMQXCUSIMCZ-UHFFFAOYSA-N 439.516 3.529 0 40 IHAB CCN(c1ccc(C)cc1)S(=O)(=O)c1nnc(NC(=O)/C=C/c2ccccc2)s1 20486750 XCMICSNNSXATIH-SDNWHVSQSA-N 428.539 3.714 0 40 IHAB COc1ccc(-c2nonc2NC(=O)C2=C(c3ccccc3)SCCO2)cc1OC 20745223 JHMVKBJYTRGZIO-UHFFFAOYSA-N 425.466 3.825 0 40 IHAB CCOc1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(Br)cc3)CC2=O)cc1 21094857 DORQBIPRGOARSJ-HNNXBMFYSA-N 446.297 3.627 0 40 IHAB Cc1ccc(-n2nnnc2CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)cc1 21150897 HFZMYLDCSQVMNV-UHFFFAOYSA-N 446.342 3.627 0 40 IHAB CCc1cccc(CC)c1NC(=O)c1cc(OC)c(OC)cc1N(CC)S(C)(=O)=O 22252251 RNSXSYXBVXIFDH-UHFFFAOYSA-N 434.558 3.867 0 40 IHAB CCc1ccccc1N(CC(=O)N[C@@H]1CC(C)(C)Oc2cc(C)ccc21)S(C)(=O)=O 22330017 JDMOMLBFZCTKDC-LJQANCHMSA-N 430.570 3.742 0 40 IHAB Fc1ccc(CN2CCC[C@@H](c3nc4c5cnn(-c6ccccc6)c5ncn4n3)C2)cc1 22485768 ALVBQRWZZPWZKV-GOSISDBHSA-N 427.487 3.982 0 40 IHAB Oc1c([C@H](c2ccccc2Cl)N2CCC(O)CC2)sc2nc(-c3ccco3)nn12 22851893 SVQBAGQLSQKRIM-INIZCTEOSA-N 430.917 3.956 0 40 IHAB COc1ccc(NC(=O)NCCC(=O)OCc2cc(=O)oc3cc4c(cc23)CCC4)cc1 24120803 RVXIDVWCBGMIAG-UHFFFAOYSA-N 436.464 3.545 0 40 IHAB CCc1ccccc1NC(=O)CNC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 24601377 RNIZDXXAYSIJHS-UHFFFAOYSA-N 434.462 3.634 0 40 IHAB O=C(CSc1nnc(-c2ccc(F)cc2)o1)N1CCN(C/C=C/c2ccccc2)CC1 24756862 STLWZOJKDKYBEN-QPJJXVBHSA-N 438.528 3.825 0 40 IHAB Cc1cc(C(=O)Cn2cnc3ccsc3c2=O)c(C)n1C[C@@H]1COc2ccccc2O1 26018559 FPJCUIGHUOIEKV-MRXNPFEDSA-N 435.505 3.599 0 40 IHAB Cn1c(COc2ccccc2Cl)nnc1SCC(=O)N[C@@H]1CCOc2ccccc21 27126138 RSCABBAZJHGGHF-MRXNPFEDSA-N 444.944 3.780 0 40 IHAB CCNC(=O)c1cc(S(=O)(=O)N[C@@H](CC(C)C)c2ccc(OC)cc2)ccc1OC 30853906 MUQUIZSYMRAGSV-FQEVSTJZSA-N 434.558 3.519 0 40 IHAB CCOc1ccc(N2C[C@@H](C(=O)N[C@H](CC(=O)OC)c3ccc(Cl)cc3)CC2=O)cc1 30993028 VZHACZYUJYNUOB-OXJNMPFZSA-N 444.915 3.512 0 40 IHAB CC(=O)c1cccc(N2C(SCc3ccccc3Cl)=N[C@H]3CS(=O)(=O)C[C@@H]32)c1 32640486 DLHHQDLIZGNHOJ-OALUTQOASA-N 434.970 3.818 0 40 IHAB O=C(OCc1nc2cc(Cl)ccc2c(=O)[nH]1)c1ccc(Cl)c(N2CCCC2=O)c1 32752751 VZBPBKQKIRIMSK-UHFFFAOYSA-N 432.263 3.714 0 40 IHAB O=C(c1ccc(Br)cc1F)N1CCN(C(=O)c2ccccc2Cl)CC1 32768570 NCGYXIVWUBVPLX-UHFFFAOYSA-N 425.685 3.840 0 40 IHAB COc1cc(/C=C2/SC(=N)NC2=O)ccc1OCCOCCOc1ccccc1C 33419968 FISZBCROSXSURQ-XSFVSMFZSA-N 428.510 3.617 0 40 IHAB Cc1nc(NC(=O)CSc2nc3ccccc3n2CC(=O)NC(C)(C)C)sc1C 35312073 JNSLYELXDHBUDB-UHFFFAOYSA-N 431.587 3.755 0 40 IHAB O=C(NCCNC(=O)c1ccc(NC(=O)C2CCCC2)cc1)Nc1ccc(F)c(F)c1 35595046 KOVPRPAINYDRPY-UHFFFAOYSA-N 430.455 3.645 0 40 IHAB COc1ccc(OC)c(NC(=O)[C@@H]2C[C@@H](C(C)C)N[C@]23C(=O)Nc2c(Cl)cccc23)c1 35828274 FWLWZNRQCPFTRS-YGJVYZRNSA-N 443.931 3.777 0 40 IHAB O=c1c2ccccc2n(Cc2nc(-c3cccc(Cl)c3)no2)c(=O)n1Cc1ccco1 38486488 XPFRHINRFJFOGL-UHFFFAOYSA-N 434.839 3.556 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3ccc(C(N)=O)cc3)c2)cc1 38752905 MEDCXCOGPGFQFL-UHFFFAOYSA-N 443.912 3.800 0 40 IHAB CC[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc(S(C)(=O)=O)cc1 44856962 HIIKNYLMPWCYKL-DENIHFKCSA-N 432.561 3.709 0 40 IHAB COc1ccccc1[C@H](NC(=O)[C@H]1CC(=O)N(c2cccc(C(C)C)c2)C1)c1nccn1C 48234403 AIEIXTDSTJWVLT-CYFREDJKSA-N 446.551 3.811 0 40 IHAB COc1cccc(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1 59515905 WYIDUDZTWMWSPZ-UHFFFAOYSA-N 438.549 3.876 0 40 IHAB C[C@H](NC(=O)N1CCN(c2ccc(Cl)cc2)CC1)C(=O)Nc1ccc2cc[nH]c2c1 61718046 XSLZLTWIXWVWDU-HNNXBMFYSA-N 425.920 3.680 0 40 IHAB Cc1cccc(-c2nc3c4ccccc4n(CC(=O)Nc4ccccc4F)c(=O)n3n2)c1 62639790 CXBGZNOLCWFYOA-UHFFFAOYSA-N 427.439 3.797 0 40 IHAB CCc1ccc(CNC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2Cc2ccco2)cc1 67299692 HAWSEJDYICHZOB-UHFFFAOYSA-N 436.537 3.645 0 40 IHAB CS(=O)(=O)N1CCCC[C@H]1c1nnc(C2CCN(Cc3cc4ccccc4o3)CC2)o1 72344924 FIJUTDNGSSMPOT-IBGZPJMESA-N 444.557 3.682 0 40 IHAB Cn1cc(CCC(=O)NC2(C(=O)Nc3ccc(Br)cc3)CCCCC2)cn1 84318302 GRJCZEJKGLXOIL-UHFFFAOYSA-N 433.350 3.573 0 40 IHAB COc1ccc(OC)c(-c2cc(C(=O)NCC[C@@H](O)c3cc4ccccc4o3)n(C)n2)c1 96097272 LPDIFVDNXKTZGR-HXUWFJFHSA-N 435.480 3.704 0 40 IHAB Cc1ccc(N2C[C@@H](C(=O)NCCn3nc(C(F)(F)F)cc3C3CC3)CC2=O)cc1C 96103758 UPHFRYRIVKMAMP-INIZCTEOSA-N 434.462 3.565 0 40 IHAB COc1cccc([C@H](c2sc3nc(C)nn3c2O)N2CCN(Cc3ccccc3)CC2)c1 96809893 FCCYRMKMOAQZQP-OAQYLSRUSA-N 449.580 3.721 0 40 IHAB C[C@H](OC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1)C(=O)c1ccccc1 100751089 ZJKKXFCDMACDCE-PSUJQESLSA-N 441.483 3.672 0 40 IHAB COc1cc(C(=S)N2CCN(Cc3ccccc3)CC2)cc(Br)c1OC 107947783 NVVWKFCPJWVFGT-UHFFFAOYSA-N 435.387 3.960 0 40 IHAB CC[C@@H](C(=O)N[C@H]1CC(C)(C)Oc2cc(C)ccc21)N(c1ccccc1)S(C)(=O)=O 219086618 TUUSOKZOFQTRQM-PMACEKPBSA-N 430.570 3.958 0 40 IHAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCCN(C)S(=O)(=O)c1ccccc1 219727422 YQFFLVVGPYJSSY-HXUWFJFHSA-N 430.570 3.814 0 40 IHAB Cc1cccc(N([C@H](C)C(=O)NCCSCc2cccc(Cl)c2)S(C)(=O)=O)c1 220122511 NXQUUQBYVCXPLX-MRXNPFEDSA-N 441.018 3.853 0 40 IHAB CC[C@@H](C(=O)NCc1ccc(Cl)cc1Cl)N(c1cccc(OC)c1)S(C)(=O)=O 220615415 DQLJGFMNLZZHHJ-SFHVURJKSA-N 445.368 3.863 0 40 IHAB COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Cl)cn1 223068288 SXZAWYWGGDFLEP-WOJBJXKFSA-N 427.961 3.930 0 40 IHAB O=C(O)c1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1 223319747 FXLAJSFQBKJBFK-NYVOZVTQSA-N 448.548 3.722 0 40 IHAB COCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)COc1ccccc1 223365270 IBRJXVSDSVKUNY-AREMUKBSSA-N 446.547 3.988 0 40 IHAB COc1ccc(OC)c(N(CCCC(=O)NC(C)(C)CC(C)(C)C)S(C)(=O)=O)c1 224718118 KDFYMKPOXTWZRH-UHFFFAOYSA-N 428.595 3.581 0 40 IHAB Cc1cccc(OCCNC(=O)CCCN(c2c(C)cc(C)cc2C)S(C)(=O)=O)c1 224823554 YCZXLSGZXXWBSI-UHFFFAOYSA-N 432.586 3.662 0 40 IHAB Cc1cc(Nc2nc(C)c(C)s2)cc([C@@H]2CN(C(=O)c3n[nH]c4c3CCC4)CCO2)n1 257289464 PYTKSOBMPGPYAN-IBGZPJMESA-N 438.557 3.632 0 40 IHAB Cc1ccc(N([C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)S(C)(=O)=O)cc1C 260895187 IVORWLQTFMPWOH-CQSZACIVSA-N 430.448 3.995 0 40 IHAB CCn1cc(CN2CCC3(CC2)Oc2ccccc2-c2c3cnn2CCN2CCCC2)cn1 306130530 JIXSLUZIZKDPQR-UHFFFAOYSA-N 446.599 3.746 0 40 IHAB COc1ccc(-n2nccc2-c2nc(C(=O)Nc3ncccc3C)c3cnccn23)cc1 306141835 WHRRKNQKTPDXSE-UHFFFAOYSA-N 425.452 3.546 0 40 IHAB COc1ccc(-n2nccc2-c2nc(C(=O)Nc3ccc(Cl)cn3)c3cnccn23)cc1 306143555 YFMQBWUZOAKHCF-UHFFFAOYSA-N 445.870 3.891 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CCCCCCC3)C2)cc1Cl 408584753 UNHGWPWPBRDOKS-MRXNPFEDSA-N 443.009 3.978 0 40 IHAB O=C(c1ccccc1I)N1CC[C@@H](N2CCc3ccccc3C2)C1 408613001 WGDYILQTKLMRPV-QGZVFWFLSA-N 432.305 3.564 0 40 IHAB Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)cc1C 408660332 NTSOYMOVOXEQBE-NHCUHLMSSA-N 432.476 3.555 0 40 IHAB COc1ccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C[C@H](C=C5C)[C@@H]4C3=O)c2)c(OC)c1 408673741 UPKZMLCCRQADPL-XSLZUNGDSA-N 432.476 3.658 0 40 IHAB O=C(N[C@@H]1C(=O)N/[N+](=C\c2ccc(F)cc2)[C@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 409054876 OGQVLXXYTVFTGO-ZMAOBILYSA-O 440.857 3.634 0 40 IHAB CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCC(=O)Nc1cc(C)ccc1C 409062578 XAMIXXHOPWKEJP-UHFFFAOYSA-N 437.569 3.884 0 40 IHAB COCCCNC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C1=O 409214844 UWHWFXWHWABCAS-BOPFTXTBSA-N 434.901 3.789 0 40 IHAB COCC(=O)N1CCCN(CC(C)C)CCCN(C(=O)CC(C)C)c2ccc(F)cc2C1 643572655 LKRZQXDZJPXFMB-UHFFFAOYSA-N 449.611 3.932 0 40 IHAB COc1ccc(CNC(=O)c2ccc3c(c2)Cc2cccc(c2)CNCCOCCO3)cc1 643584263 KFZSCZUVSSKWBT-UHFFFAOYSA-N 446.547 3.715 0 40 IHAB NS(=O)(=O)c1ccc(NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)cc1C(F)(F)F 673696258 MGLMBQQEUBKXQB-LBPRGKRZSA-N 433.883 3.945 0 40 IHAB O=C(CN1CCc2ccccc2C1)N1CCC[C@@]2(CC1)CN(c1ccc(F)cc1)C(=O)O2 1848353119 HLHYUZWHBXOHSB-RUZDIDTESA-N 437.515 3.592 0 40 IHAB COc1ccc(-c2nc3c4ccccc4n(CC(=O)Nc4cccc(C)c4)c(=O)n3n2)cc1 1889201620 FFDPPUKMDOVZMB-UHFFFAOYSA-N 439.475 3.667 0 40 IHAB O=C(NC[C@H]1CCC2(CCN(c3cc(C(F)(F)F)ncn3)CC2)CO1)C1CCCC1 2056225810 CEIWMIFEWXSULR-MRXNPFEDSA-N 426.483 3.567 0 40 IHAB CC(C)[C@H](C(=O)OCC(=O)Nc1cccc(Cl)c1Cl)N1C(=O)c2ccccc2C1=O 1917061 VHAXBHXSQDYLMB-GOSISDBHSA-N 449.290 3.796 0 40 IHAB O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1)c1cccs1 3249567 MNMBOTFSHYEXEU-UHFFFAOYSA-N 449.579 3.948 0 40 IHAB O=C(OCC(=O)c1c[nH]c2ccccc12)c1cccc(S(=O)(=O)NCc2ccccc2)c1 3336927 HCVZNXWEWGNVIX-UHFFFAOYSA-N 448.500 3.686 0 40 IHAB O=c1cc(CSc2nnc(-c3ccncc3)n2-c2ccc(F)cc2)nc2sccn12 3381609 GKAWEFQDESDYED-UHFFFAOYSA-N 436.497 3.830 0 40 IHAB COC(=O)c1ccc(COC(=O)c2ccccc2C(=O)c2ccc3c(c2)OCCO3)cc1 3509498 ZALYJKXPKVARDB-UHFFFAOYSA-N 432.428 3.832 0 40 IHAB CCCCn1c(SCC(=O)Nc2ccc(OC)cc2OC)nc2ccccc2c1=O 6481662 SNJXLBLRMPYOSN-UHFFFAOYSA-N 427.526 3.945 0 40 IHAB O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12 7608285 JZZPVUZTQLKTJY-UHFFFAOYSA-N 427.570 3.866 0 40 IHAB COc1cccc(NC(=O)Cn2c3c(sc2=O)[C@H]2c4ccccc4OC[C@@H]2CS3)c1 8752046 LNLQCSGDEHJTLP-BFUOFWGJSA-N 440.546 3.803 0 40 IHAB CCn1c(SCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)nnc1-c1ccccc1 8944128 QVBUWQUWSFIMDL-UHFFFAOYSA-N 441.582 3.735 0 40 IHAB COc1cc(/C=C/C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)ccc1OC(F)F 9247040 VFXQQMFHVQDZSJ-GBVBUYCNSA-N 449.406 3.651 0 40 IHAB COC(=O)c1ccc(NC(=O)CSc2nc3cc(Br)c(C)nc3[nH]2)cc1 9308467 KFGKDELRGWCOKS-UHFFFAOYSA-N 435.303 3.546 0 40 IHAB COc1ccc2c(=O)c3c(oc2c1)C(=O)N(c1nnc(C)s1)[C@H]3c1ccccc1OC 9429966 CWJYFDYRSCFOCL-SFHVURJKSA-N 435.461 3.720 0 40 IHAB Cc1cccc(Cn2c(=O)c3c(nc4n3CCCN4c3cccc(Cl)c3C)n(C)c2=O)c1 9519199 FMABBCUREINSAF-UHFFFAOYSA-N 449.942 3.757 0 40 IHAB C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1=O 9665446 KJJZVQCEYYLOTJ-SFHVURJKSA-N 441.793 3.644 0 40 IHAB CCS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2ccc(OC)c(OC)c2)cs1 9707686 DZZSXBHPOPESJQ-UHFFFAOYSA-N 432.523 3.873 0 40 IHAB O=C(c1ccco1)N1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC1 9865714 XGNIBCOXSXCGFU-UHFFFAOYSA-N 426.476 3.731 0 40 IHAB C[C@@H](Sc1nccn1-c1cccc(F)c1)C(=O)Nc1sc2c(c1C(N)=O)CCC2 9885188 RRJPGNQBBYAOSV-LLVKDONJSA-N 430.530 3.780 0 40 IHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 10216708 JEIKQWZIYXMNNQ-CQSZACIVSA-N 430.888 3.713 0 40 IHAB O=C(CNC(=O)c1ccc(Cl)cc1Cl)Nc1nc2cc3c(cc2s1)OCCO3 11752000 KBXUJUJDXAUDSU-UHFFFAOYSA-N 438.292 3.743 0 40 IHAB CCC[C@@H](NC(=O)COc1ccc2c(=O)c(Oc3ccccc3)c(C)oc2c1)C(=O)O 11865715 YSDYFTFHJDTAGW-GOSISDBHSA-N 425.437 3.642 0 40 IHAB CCOC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@H]1c1cccc(F)c1 12515935 KARAFEUAXQWLCU-FQEVSTJZSA-N 428.485 3.870 0 40 IHAB CCOC(=O)c1c(NC(=O)COc2ccc(F)cc2Cl)sc(C(=O)OC)c1C 12787696 LLPRODONIAKDJK-UHFFFAOYSA-N 429.853 3.830 0 40 IHAB COc1ccc(CCn2c(SCCO)nc3sc4c(c3c2=O)CCCC4)cc1OC 12809616 UPXQIZSAQMYPQX-UHFFFAOYSA-N 446.594 3.681 0 40 IHAB CCC(C)(C)NC(=O)[C@H](c1ccncc1)N(C(=O)c1csnn1)c1ccccc1F 12869949 NPSHGICOYFSKHT-SFHVURJKSA-N 427.505 3.765 0 40 IHAB COc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCCC[C@H]1C 12882935 RLWVDYJVJNTCAE-OAHLLOKOSA-N 436.961 3.842 0 40 IHAB O=c1ccc(-c2cccs2)nn1CC1(O)CCN(Cc2ccc(Cl)c(F)c2)CC1 13266486 PVNUENVRRSJQNT-UHFFFAOYSA-N 433.936 3.791 0 40 IHAB CCC(C)(C)NC(=O)CN(C(=O)CCC(=O)Nc1nccs1)c1ccc(C)c(C)c1 13501854 VZSHOVKCBUOSEA-UHFFFAOYSA-N 430.574 3.817 0 40 IHAB Cc1cc(C)c2cc(CN(C[C@@H]3CCCO3)C(=S)NCc3ccco3)c(=O)[nH]c2c1 13556770 BSJZAFCNFSZZDF-IBGZPJMESA-N 425.554 3.794 0 40 IHAB COc1ccc(C(=O)[C@H]2C(c3ccc(F)cc3)=NO[C@]23C(=O)Nc2ccccc23)cc1OC 13592553 KQDWRQLIGNCFEK-BWKNWUBXSA-N 446.434 3.924 0 40 IHAB CC[C@@H](C(=O)Nc1ccc(Br)c(C)c1)N(c1ccccc1)S(C)(=O)=O 13711300 BQSIBLLKKRHPTI-KRWDZBQOSA-N 425.348 3.941 0 40 IHAB O=C(Cc1ccc(Cl)cc1)Nc1cc(-c2ccccc2)nn1[C@H]1CCS(=O)(=O)C1 13721821 VYVSMBFNRXJPTB-SFHVURJKSA-N 429.929 3.744 0 40 IHAB O=C(NCC1(N2CCOCC2)CCCCC1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 14070410 MQAFBJZQSOSANW-DEOSSOPVSA-N 448.563 3.906 0 40 IHAB O=S(=O)(c1ccc(F)cc1)N1CCN(c2nc(-c3ccccc3)nc3ccccc23)CC1 15162292 UFRKKCFNXOBQPF-UHFFFAOYSA-N 448.523 3.947 0 40 IHAB Cc1c(Cl)cccc1NC(=O)CSc1nnc2nc(O)c(Cc3ccccc3)nn12 15882055 AFTFJSORZPBFNK-UHFFFAOYSA-N 440.916 3.508 0 40 IHAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCc4ccccc4C3)cc2)cc1 16293314 ZOECZLSXYCIRKT-UHFFFAOYSA-N 436.533 3.760 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(Nc3nc(C)cc(N(C)C)n3)cc2)cc1C 17011337 ZGZAGCLKFRVWSM-UHFFFAOYSA-N 427.530 3.712 0 40 IHAB COc1ccc(OC)c([C@@H]2CN(Cc3ccccc3)C[C@H]2NC(=O)c2cc(C3CC3)n[nH]2)c1 19552624 VKTLJRDNQMSKSJ-XUZZJYLKSA-N 446.551 3.702 0 40 IHAB COc1ccccc1CC(=O)N1CC[C@](Cc2ccccc2-c2ccccc2)(C(N)=O)C1 19569435 DUKWXDMVPZXAPC-HHHXNRCGSA-N 428.532 3.851 0 40 IHAB CNC(=O)C1(Cc2ccccc2-c2ccncc2)CCN(C(=O)c2cc(C(C)C)n[nH]2)CC1 19700206 WQDCWCTVNIQPCA-UHFFFAOYSA-N 445.567 3.806 0 40 IHAB O=C1N(Cc2ccc(F)cc2)CC=CCC12CCN(Cc1ccnc(N3CCCC3)n1)CC2 19742675 TVFHFWAYYOKATN-UHFFFAOYSA-N 449.574 3.787 0 40 IHAB CC1CCN(C(=O)CN2CCC([C@@H]3CCCCN(CCc4ccccc4)C3=O)CC2)CC1 19744104 WXJVZFIWRBJKEP-VWLOTQADSA-N 439.644 3.828 0 40 IHAB COc1ccc(CCC(=O)N2CC[C@@H](c3cc(C(=O)N(C)C)c4ccccc4n3)C2)cc1 19754638 UJQWBGWAZHPCLF-LJQANCHMSA-N 431.536 3.894 0 40 IHAB Cn1cc(C(=O)NCc2ccccc2)c(CC2CCN(Cc3c[nH]nc3C(C)(C)C)CC2)n1 19756721 TUJJPHCSUHAXJS-UHFFFAOYSA-N 448.615 3.825 0 40 IHAB COC(=O)[C@@](NC(=O)c1cccc(C)c1)(Nc1ncc(Cl)cc1Cl)C(F)(F)F 19944559 FSRZTNUNZMICPP-INIZCTEOSA-N 436.217 3.970 0 40 IHAB CCN1c2cc(OC)c(OC)cc2C(C)=C(C(=O)Nc2cc(C)ccc2OC)S1(=O)=O 20064056 UXPZCBWKRDIQIS-UHFFFAOYSA-N 446.525 3.560 0 40 IHAB CCOc1ccccc1CCCNC(=O)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 20462679 BXVZWLVYGZNDPG-UHFFFAOYSA-N 444.597 3.764 0 40 IHAB CCCC1(CCC)NC(=O)N(CC(=O)N2CCc3cc(-c4csc(C)n4)ccc32)C1=O 21761665 XWQRHYDBGSSWCA-UHFFFAOYSA-N 440.569 3.898 0 40 IHAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1C 22539468 QTOQBTZJLBVIEU-MOPGFXCFSA-N 432.586 3.863 0 40 IHAB COCCN(CC(=O)Nc1cccc(C)c1C)C(=O)Cc1nc(-c2ccccc2)oc1C 23039988 FVLDHLXYELDIQS-UHFFFAOYSA-N 435.524 3.923 0 40 IHAB COc1cccc(CSc2nc(O)cc(CC(=O)NCc3ccccc3Cl)n2)c1 23138160 PNUXXPABHBXIPB-UHFFFAOYSA-N 429.929 3.995 0 40 IHAB CCc1oc2ccccc2c1CN(C)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCO3)C1=O 23908523 WPWTVIVORCSFFQ-XMMPIXPASA-N 435.480 3.580 0 40 IHAB COc1ccc(NC(=O)c2ccccc2NCC(=O)Nc2ccc3c(c2)OCCO3)cc1 24829052 CXYDXTUSGGMLIB-UHFFFAOYSA-N 433.464 3.769 0 40 IHAB COc1ccc([C@@H](CNCc2ccc(OC)c(Br)c2)N2CCOCC2)cc1 25261992 ONZBHKIURXIXTC-HXUWFJFHSA-N 435.362 3.629 0 40 IHAB O=C(NC[C@H](c1cccs1)N1CCCC1)c1ccccc1I 27604419 UGPCAXBQLYXFFO-OAHLLOKOSA-N 426.323 3.920 0 40 IHAB CC(C)(C)OC(=O)Nc1cccc(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)c1 29844290 KGMBYHJFGURTMO-SFHVURJKSA-N 431.558 3.898 0 40 IHAB COc1ccc(S(=O)(=O)NCc2ccc(CN3CCCC3)cc2)cc1Br 30498191 CNRCVEJVSMSIHB-UHFFFAOYSA-N 439.375 3.532 0 40 IHAB C[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12)c1nc2ccccc2[nH]1 32738326 IPXWQRRHHZSESU-CQSZACIVSA-N 437.525 3.535 0 40 IHAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1cn(-c2ccccc2C(F)(F)F)nn1 32800444 GRZKOHNDNJSIQA-UHFFFAOYSA-N 426.402 3.744 0 40 IHAB NC(=O)c1ccn(-c2cccc(NC(=O)c3cc(-c4ccco4)nn3-c3ccccc3)c2)n1 32931915 XUAZMNPSLBJWNQ-UHFFFAOYSA-N 438.447 3.669 0 40 IHAB COc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c1 38753975 CORNUYJRGSCZJK-MRXNPFEDSA-N 426.494 3.902 0 40 IHAB COc1cc(NC(=O)c2c(C)nn3cccnc23)c(OC)cc1NC(=O)c1ccccc1 40150779 XPLFSEPFVUQXFG-UHFFFAOYSA-N 431.452 3.560 0 40 IHAB C[C@@H](Sc1nc(N)cc(N)n1)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 40159225 DNHXLCHGWDACNB-ABAIWWIYSA-N 442.932 3.746 0 40 IHAB O=C(Cn1c(=O)n(Cc2ccccc2F)c(=O)c2sccc21)Nc1ccc(Cl)cc1 57485991 XKARKUUHVSLALU-UHFFFAOYSA-N 443.887 3.704 0 40 IHAB CCOC(=O)C1CCN(C(=O)Cn2cccc2-c2nc(-c3ccc(Cl)cc3)no2)CC1 57486741 SMYKNDWDLHJPTK-UHFFFAOYSA-N 442.903 3.660 0 40 IHAB Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)CCCN2CCCC2)cc(N(C)C)n1 57775151 OSGUQWJKTPTNIA-JOCHJYFZSA-N 434.588 3.608 0 40 IHAB CCOC(=O)c1ccc(NC(=O)c2cnc3scc(-c4cccc(OC)c4)n3c2=O)cc1 64787956 NTMFZFQLNAUWQT-UHFFFAOYSA-N 449.488 3.861 0 40 IHAB CCOC(=O)c1c(NC(=O)CN2CCC[C@H]2C2CCCCC2)sc(C(=O)NC)c1C 71812724 HUEXLCKOCYVOKL-INIZCTEOSA-N 435.590 3.576 0 40 IHAB CC(C)NC(=O)C1(Cc2cccc(-c3cncnc3)c2)CCN(C(=O)c2cccnc2)CC1 72345331 FFHRWNVDYPQCKD-UHFFFAOYSA-N 443.551 3.528 0 40 IHAB O=C(CN1CCC(c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)CC1)N1CCOCC1 72348744 GJVDVZUCGRSGPA-UHFFFAOYSA-N 447.501 3.729 0 40 IHAB CCn1cc(S(=O)(=O)N2CCC[C@H]2c2cc(Nc3nc(C)cs3)cc(C)n2)c(C)n1 72372655 JNCPXCYXGFVOQU-SFHVURJKSA-N 446.602 3.949 0 40 IHAB Cc1ccc(-c2cc(C[C@@]3(C(=O)N(C)C)CCCN(C(=O)c4cccnc4)C3)on2)cc1 72395995 XRDGATHTWXFJCI-VWLOTQADSA-N 432.524 3.598 0 40 IHAB COc1cc(NC(=O)c2cnn(-c3ccccc3F)c2-n2cccc2)ccc1NC(N)=O 83923435 VQOPTTXFFGDISR-UHFFFAOYSA-N 434.431 3.554 0 40 IHAB CC1CCN(c2cc(NC(=O)c3cc4cc(Br)ccc4oc3=O)ncn2)CC1 90592338 CCPOFCZDQRWTSS-UHFFFAOYSA-N 443.301 3.834 0 40 IHAB Cc1csc([C@](O)(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)C(F)(F)F)n1 95390009 TWGKNYGVHWIASJ-MRXNPFEDSA-N 433.477 3.842 0 40 IHAB O=C(OCc1n[nH]c(Cc2ccccc2Br)n1)c1cnn(-c2ccccc2)c1 95469293 WDVRYRBSQBTBCH-UHFFFAOYSA-N 438.285 3.701 0 40 IHAB COc1cccc(O[C@@H](C)C(=O)NCc2nc(-c3cccc(Br)c3)no2)c1 95482338 OMLTZMIFPLVENE-LBPRGKRZSA-N 432.274 3.591 0 40 IHAB CC(=O)N1CCC(C(=O)NC[C@H]2CC[C@H](c3c(C(N)=O)sc4ccccc43)CC2)CC1 100657980 FKJPHOLEVWKSRV-CALCHBBNSA-N 441.597 3.649 0 40 IHAB Cc1cc(-c2cn(C)nc2[C@H]2CC[C@H](CNC(=O)Cn3nc(C(F)F)cc3C)CC2)on1 100744098 IUEGAWZWIADKJM-IYBDPMFKSA-N 446.502 3.916 0 40 IHAB C[C@@H](OC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1)C(=O)c1ccccc1 100749700 HLKNOIIRDSUWSK-XTIQITOGSA-N 441.483 3.672 0 40 IHAB CC(=O)c1cccc(OC(=O)c2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@H]6C[C@H]56)[C@@H]4C3=O)cc2)c1 101222555 QSAUNIFIEJHIJN-GNWGRXFHSA-N 427.456 3.666 0 40 IHAB CC(=O)O[C@H](C(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C 118923178 UQDCTELYBPUWFG-KJEMLFHPSA-N 448.556 3.772 0 40 IHAB CC1(C)C[C@H](NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)c2ccccc2O1 219250055 BDTCPJQTNVDQHD-NRFANRHFSA-N 442.581 3.647 0 40 IHAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(Br)cc1)c1ccc(S(C)(=O)=O)cc1 219690780 UFBHSSOVBFBNSA-FZKQIMNGSA-N 440.359 3.887 0 40 IHAB CC[C@H](C(=O)Nc1cc(Cl)ccc1OC)N(c1cccc(OC)c1)S(C)(=O)=O 220616747 CCNYMLXVQYQORW-QGZVFWFLSA-N 426.922 3.541 0 40 IHAB CC[C@@H](C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)N(c1cccc(OC)c1)S(C)(=O)=O 220629453 RSUDWXSYDFXNNH-UXHICEINSA-N 446.569 3.658 0 40 IHAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)COc1cc(OC)cc(OC)c1 222492180 FFCORLGXXLDZCK-HSZRJFAPSA-N 442.556 3.723 0 40 IHAB COC(=O)c1cn(C(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c2ccccc12 222600523 IRYFBABJGCWJQK-UHFFFAOYSA-N 442.537 3.832 0 40 IHAB CC[C@H](NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C)c1ccc2c(c1)CCCC2 223078118 CVNGJQCJEVPDJT-QFIPXVFZSA-N 447.576 3.585 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccccc3OC)cc2C)cc1 224011414 RDXYFRPGAIKXDA-UHFFFAOYSA-N 440.521 3.743 0 40 IHAB Cc1ccc(OCCNC(=O)c2ccc(CN(C)S(=O)(=O)c3ccccc3)cc2)cc1 224416430 DQTATVWWPIHUDP-UHFFFAOYSA-N 438.549 3.625 0 40 IHAB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(OC)cc1 224878397 GJXVRHRWFRSQEX-QHCPKHFHSA-N 442.556 3.662 0 40 IHAB C[C@H]1C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]2[C@@H](OC(=O)C(C)(C)[C@@H](C)O)C1 230469508 MTOKLGKFIIZWRP-NHHCYHDNSA-N 434.573 3.556 0 40 IHAB Cc1ncc(C(=O)NC2CCCCC2)c([C@@H]2CCCCN2S(=O)(=O)c2ccccc2)n1 257233686 GQFMFYQXEMLZMX-NRFANRHFSA-N 442.585 3.763 0 40 IHAB Cc1nc([C@@]2(O)CCCN(Cc3cnn(C)c3C)CC2)sc1CCOc1ccccc1 257312515 UOIGGONBGSKDGR-XMMPIXPASA-N 440.613 3.989 0 40 IHAB CC(C)(CC(=O)O)CC(=O)N1CCC[C@H]2O[C@H]3c4ccc(O)cc4OC(C)(C)[C@@H]3C[C@H]21 257328776 XHBOEXRQYZKUJV-IDVKNYFZSA-N 431.529 3.891 0 40 IHAB CCc1c(NCc2nnc3n(C)c(=O)c4ccccc4n23)cnn1-c1ccccc1Cl 562620142 LLWDVSGIPYZGAU-UHFFFAOYSA-N 433.903 3.595 0 40 IHAB O=C(CN1CCC(O)(COc2ccc(Cl)c(Cl)c2)CC1)NCCc1ccccc1 585272949 LKZLFUMNYBHDPV-UHFFFAOYSA-N 437.367 3.558 0 40 IHAB CC(=O)N1CCC(N2CCC3(CC2)C[C@@H](Cc2ccc(F)cc2)N(CC(C)C)C3=O)CC1 1615155736 PWHYFEOEGBIVHE-XMMPIXPASA-N 443.607 3.718 0 40 IHAB CC1(C)[C@@H](c2cccc(C(F)(F)F)c2)CCN1C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 1648954816 CULVPZFZSBJKKU-OAHLLOKOSA-N 431.414 3.644 0 40 IHAB Cc1ccc(C(=O)N2CCC[C@](COc3ccccc3)(CC(=O)N3CCOCC3)C2)cc1 2037905478 NOZQJAJWYBGEJL-SANMLTNESA-N 436.552 3.545 0 40 IHAB COc1ccc2cc(CN(C[C@@H]3CCCO3)C(=S)NC3CCCCC3)c(=O)[nH]c2c1 879776 CHHGEQZQTFIHIY-FQEVSTJZSA-N 429.586 3.725 0 40 IHAB COC(=O)CSC1=Nc2cc(OC)c(OC)cc2C2=NC(=O)[C@@H](CC3CCCCC3)N12 1394601 YPSKXEVZMGXNID-MRXNPFEDSA-N 445.541 3.539 0 40 IHAB C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)C[C@@H](C)O1 3182713 SQTZMEJTBPEGQV-ZIAGYGMSSA-N 442.459 3.756 0 40 IHAB CCOC(=O)c1c(NC(=O)CN2C(=O)[C@@H](C)N(c3ccc(C)cc3)C2=O)sc(C)c1C 3276948 KSRLCUUXJGMMHL-CQSZACIVSA-N 443.525 3.646 0 40 IHAB CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2nnc(N)s2)sc2c1CC[C@@H](C)C2 3291259 HVBAHOGBCKKYIM-RKDXNWHRSA-N 426.589 3.603 0 40 IHAB COc1ccc(CN(C)C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)c(OC)c1 3341773 CZBWRZPDPYTZIB-FQEVSTJZSA-N 438.549 3.765 0 40 IHAB O=C(Cn1c(SCC(=O)N2CCCc3ccccc32)nc2ccccc21)N1CCCC1 4092323 XATFEQQVEMGXCF-UHFFFAOYSA-N 434.565 3.730 0 40 IHAB CCc1ccccc1-n1c(SC[C@@H]2COc3ccccc3O2)nnc1N1CCOCC1 8724347 MWNMFQGTWNILTI-SFHVURJKSA-N 438.553 3.598 0 40 IHAB C[C@@H](NC(=O)CSc1nnc(Cc2ccccc2F)n1N)c1cccc2ccccc12 8727095 TVFJEYJBBSNKFQ-OAHLLOKOSA-N 435.528 3.845 0 40 IHAB COCCN1C(=S)N[C@H](c2cccc(F)c2)C(C(=O)Nc2ccccc2OC)=C1C 9316166 QEBIFCHAVUTBLU-HXUWFJFHSA-N 429.517 3.625 0 40 IHAB O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(NC(=O)c2ccco2)cc1 9415165 XRXZVSZMQQVCPS-UHFFFAOYSA-N 439.493 3.569 0 40 IHAB CCOC(=O)C1=NN(c2cccc(Cl)c2)[C@]2(S1)SC(C(=O)OCC)=C(C)N2C 9430973 ODJAADPNHKEYBI-SFHVURJKSA-N 441.962 3.854 0 40 IHAB CCOC(=O)c1sc2ncnc(N3CCCN(Cc4ccc(OC)cc4)CC3)c2c1C 9640504 PRMXEHNSEAEAEM-UHFFFAOYSA-N 440.569 3.897 0 40 IHAB CCN(C(=O)CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O)C1=CCCCC1 9737241 JZFHQHBFAKHVSN-AREMUKBSSA-N 431.536 3.983 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(Cl)c(N2CCCC2=O)c1 9740663 VMPQXNCXAIGNHO-UHFFFAOYSA-N 447.944 3.504 0 40 IHAB COc1ccccc1CCNC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O 9764445 BPLSDJVEXUGJRX-UHFFFAOYSA-N 425.535 3.554 0 40 IHAB O=C(Nc1nc2c(s1)CCc1ccccc1-2)[C@@H]1CCCN1S(=O)(=O)c1cccs1 10186950 KVLIYJQNMGZEDU-HNNXBMFYSA-N 445.591 3.762 0 40 IHAB CCOc1ccc([C@H]2CCCN2C(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1 10217916 JBGONXHJWULGCR-UYAOXDASSA-N 448.610 3.911 0 40 IHAB Cc1cccc(-n2c(C)c(C)n3c4c(=O)n(CCc5ccccc5)c(=O)n(C)c4nc23)c1C 10271874 UTVDZLBUVZHOKJ-UHFFFAOYSA-N 441.535 3.615 0 40 IHAB COC(=O)c1cccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)c1 10295515 VOYVVVLJCFMLIN-UHFFFAOYSA-N 438.505 3.616 0 40 IHAB CC(=O)N(c1ccccc1)c1nc(COC(=O)c2ccc(Cn3cncn3)cc2)cs1 10655767 VWNNGOVCHVYPGD-UHFFFAOYSA-N 433.493 3.825 0 40 IHAB COC(=O)c1ccc(NC(=O)COC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 10729345 MXTMEKAXRGROTH-LLVKDONJSA-N 426.252 3.729 0 40 IHAB O=C(c1cc(Cl)ccc1Cl)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 11003721 WVTDMOVHIBLUGD-UHFFFAOYSA-N 431.316 3.669 0 40 IHAB O=C1N[C@@H](c2ccc(C(F)(F)F)cc2)[C@H](C(=O)c2ccccc2)[C@](O)(C(F)(F)F)N1 11859122 OIZHACYCJSJBLX-KEYYUXOJSA-N 432.320 3.809 0 40 IHAB Cc1cnc(-c2nc(C3CCN(C(=O)COc4ccc(Cl)c(C)c4)CC3)no2)cn1 12187533 HXFDZROFXFQMKD-UHFFFAOYSA-N 427.892 3.582 0 40 IHAB CC[C@@H](C)NC(=O)c1ccc(N2C(=O)N3CCc4c([nH]c5ccccc45)[C@@]3(C)C2=O)cc1 12662228 CPGAMVYAJYBYBY-BZQUYTCOSA-N 430.508 3.936 0 40 IHAB biogenic CC(=O)Nc1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCCCC2)cc1Cl 12799913 YUTOJWWZWVIJLO-UHFFFAOYSA-N 441.962 3.787 0 40 IHAB O=C1c2ccccc2N2C(=O)CC[C@]2(C(=O)Nc2ccccc2F)N1Cc1ccccc1 12948270 ALYDVEPDPCMTBM-VWLOTQADSA-N 429.451 3.944 0 40 IHAB CCN(C(=O)COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)C1CCCCC1 13039081 KSZNXJIKTBKHBW-UHFFFAOYSA-N 448.519 3.821 0 40 IHAB O=S(=O)(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1cccc(Cl)c1 13041584 WFXQNRHTWGHOIA-UHFFFAOYSA-N 428.963 3.706 0 40 IHAB CCCCn1c(N)c(N(CCC(C)C)C(=O)c2ccc(C(F)(F)F)cc2)c(=O)[nH]c1=O 13041678 JYEFKGYDESQIIY-UHFFFAOYSA-N 440.466 3.631 0 40 IHAB COc1ccc([C@H]2CC(=O)Nc3nc(SCc4cccc(C)c4)[nH]c(=O)c32)c(OC)c1 13567324 MMDDNDCQILMPCB-QGZVFWFLSA-N 437.521 3.862 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)c(C)c1 13631781 PXEYZUFLDDXQLS-UHFFFAOYSA-N 438.933 3.538 0 40 IHAB CCN1CCN(c2ccc(NC(=S)NC(=O)c3cccc(OC)c3)cc2Cl)CC1 16681585 QMWITCIQQGAXFQ-UHFFFAOYSA-N 432.977 3.617 0 40 IHAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(SC)c2)cc1Cl 16692717 NYGSTGZXLKAHSB-UHFFFAOYSA-N 428.963 3.720 0 40 IHAB COc1cccc(CC(=O)N[C@H](c2cc(O)n3nc(-c4ccccn4)cc3n2)C(C)C)c1 19445436 OBIPYUATHFFKDJ-DEOSSOPVSA-N 431.496 3.562 0 40 IHAB CCc1nccn1CC(=O)N1CCCC[C@@H]1c1nc(N(C)C)ncc1-c1ccc(F)cc1 19694645 BVVHFJLOMRNBKY-HXUWFJFHSA-N 436.535 3.861 0 40 IHAB Cc1nc([C@H]2CCCN2C(=O)Cc2ccncc2)nc2c1CCC(=O)N2Cc1ccccc1 19696394 GUGGKLPWYABWNW-JOCHJYFZSA-N 441.535 3.566 0 40 IHAB Cc1cc(C)c2nc(NC(=O)c3ccc([C@H]4CCCN(S(C)(=O)=O)C4)nc3)sc2c1 19706067 FVMHNJDSXDOYGW-INIZCTEOSA-N 444.582 3.699 0 40 IHAB Cc1nccn1-c1ccccc1CNC(=O)c1ccccc1NS(=O)(=O)c1ccccc1 20106681 ALNHSWWPMWVCRU-UHFFFAOYSA-N 446.532 3.912 0 40 IHAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 20492577 DYQBRZDJWIHUSM-HXUWFJFHSA-N 425.510 3.987 0 40 IHAB C[C@H](OC(=O)c1cc2c(s1)CCCCC2)C(=O)Nc1sc2c(c1C(N)=O)CCC2 21602993 LMGFWSIOLOCJJQ-NSHDSACASA-N 432.567 3.850 0 40 IHAB O=C(Nc1ccc(Br)cc1F)c1cccc(N2CCCCS2(=O)=O)c1 21756265 DDLBWMBZJVATDV-UHFFFAOYSA-N 427.295 3.771 0 40 IHAB CCOc1cc2c(cc1NC(=O)C1CCN(C(=O)OCC(F)(F)F)CC1)O[C@H](C)C2 22192900 SFEXKQFWOBWWIN-GFCCVEGCSA-N 430.423 3.758 0 40 IHAB O[C@H](COc1ccc(-c2ccccc2)cc1)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 22791636 GMWYWPYJWLHWKB-DEOSSOPVSA-N 446.547 3.640 0 40 IHAB O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(COc2ccc(F)cc2)o1 25057027 BZGYQJLDZXISAN-UHFFFAOYSA-N 430.457 3.790 0 40 IHAB O=S(=O)(c1ccc2c(c1)CCN2Cc1nccn1Cc1ccccc1)N1CCCCC1 26909601 SRQMJXFWCHBVNV-UHFFFAOYSA-N 436.581 3.669 0 40 IHAB O=C(Nc1ccccc1OC(F)(F)F)c1ccc(S(=O)(=O)NCc2ccco2)cc1 27823106 OAXLPSDLVWMEEI-UHFFFAOYSA-N 440.399 3.909 0 40 IHAB CC(C)(C)c1ccc([C@H](CNC(=O)c2cc3ccccc3oc2=O)N2CCOCC2)cc1 28292457 FJTVORKJNWPTRG-QFIPXVFZSA-N 434.536 3.894 0 40 IHAB COc1cc(OC)cc([C@H](NC(=O)NCCc2ccc(Cl)cc2)c2nccn2C)c1 29317235 IMFKPFFKEOPWHC-FQEVSTJZSA-N 428.920 3.722 0 40 IHAB CCNC(=O)c1nc(CN(C)C)n(-c2ccc(Cl)cc2C(=O)c2ccccc2Cl)n1 31494234 IRQLQRRQIHFEOV-UHFFFAOYSA-N 446.338 3.616 0 40 IHAB COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2cc(OC)cc(OC)c2)C12CCCC2 32103408 FLWSZLVBTQWDPO-QFIPXVFZSA-N 438.524 3.841 0 40 IHAB O=S1(=O)C[C@H]2N=C(SCc3cccc(Cl)c3)N(c3ccc(F)cc3F)[C@H]2C1 32640968 WFEXRLQTKGMXNJ-WBVHZDCISA-N 428.913 3.893 0 40 IHAB CCN(CCOc1ccc2ccccc2c1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 32827779 GOSVDVVYLCTRTL-UHFFFAOYSA-N 433.508 3.994 0 40 IHAB Cc1cc(CN2CCN(C(=O)c3sc(COc4ccc(Cl)cc4)nc3C)CC2)no1 32841682 QTMHGJPCPNJVID-UHFFFAOYSA-N 446.960 3.938 0 40 IHAB Cc1nc(SCc2nnc(-c3ccc(Br)s3)o2)sc1CC(N)=O 32871383 BAFIKLCOKREHGD-UHFFFAOYSA-N 431.362 3.646 0 40 IHAB CCc1ccc(NC(=O)CSc2nnc([C@@H](C)NC(=O)c3ccccc3F)n2C)cc1 33652546 VZAJNPYWPKBPGM-CQSZACIVSA-N 441.532 3.738 0 40 IHAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1 33705120 GNQXSSSYJVQQIV-UHFFFAOYSA-N 426.494 3.904 0 40 IHAB Cc1ccc(OCCNC(=O)CN2c3ccc(F)cc3-c3ccccc3S2(=O)=O)cc1 38756336 KCGCCLDDWXHUES-UHFFFAOYSA-N 440.496 3.505 0 40 IHAB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CNC(=O)NCc1ccccc1 40040452 VQVMPUGZFJKVAB-IBGZPJMESA-N 444.535 3.958 0 40 IHAB COc1ccc(NC(C)=O)cc1NC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 40140640 LEXXHUNFADKYQO-UHFFFAOYSA-N 426.423 3.859 0 40 IHAB C[C@H]1CN(S(=O)(=O)CCNCc2ccc(-c3ccccc3Cl)s2)C[C@@H](C)O1 40153281 XIKBUJVEMHEGKR-GASCZTMLSA-N 429.007 3.597 0 40 IHAB Cc1ccc(Nc2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2cc(Cl)ccc2C)CC(=O)N3)cc1 40400505 KBWUUKOCFRLFJN-OAHLLOKOSA-N 437.887 3.848 0 40 IHAB C[C@@H](NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc(S(C)(=O)=O)cc1 44857072 ZCLAYDYXWMPHNT-APWZRJJASA-N 434.989 3.833 0 40 IHAB O=C(Nc1nnc(COc2ccccc2)s1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 49550831 QZLCLGCVAAHDCP-ZDUSSCGKSA-N 428.901 3.762 0 40 IHAB CC[C@H](NCc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)c1ccc(Br)cc1 49625235 RELHNTYDSWUANL-HNNXBMFYSA-N 432.318 3.944 0 40 IHAB NC(=O)c1cccc(Oc2ccc(NC(=O)CCc3nnc(-c4ccsc4)o3)cn2)c1 58167472 CPIFMXNUDXWNSJ-UHFFFAOYSA-N 435.465 3.656 0 40 IHAB O=C(CCn1ccn2nc(-c3ccc(F)cc3)cc2c1=O)NCc1ccc(F)c(Cl)c1 67261116 FQKWEHYYKWYZSW-UHFFFAOYSA-N 442.853 3.801 0 40 IHAB O=S(=O)(Cc1coc(-c2ccc(F)cc2)n1)c1nnc(C2CC2)n1Cc1ccccc1 79024196 VSGWDDLSVNHSEQ-UHFFFAOYSA-N 438.484 3.972 0 40 IHAB COc1cccc(/C=C/C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)c1 89467191 BZWWHPBBLJXZPH-FMIVXFBMSA-N 430.526 3.530 0 40 IHAB Cc1nc(N2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)cc(-n2cccc2)n1 90607831 JZDMKXREUGRSCE-UHFFFAOYSA-N 446.338 3.610 0 40 IHAB COc1ccc(-n2ccc(C(=O)N[C@H](C)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2)cc1 95393871 VKKNHQYVQHYCQE-SJORKVTESA-N 428.533 3.646 0 40 IHAB CC1(C)C[C@H](n2nc(O)c3c2NC(=O)CS[C@H]3c2ccc(F)c(F)c2F)CCO1 96118398 CFSIYHGGBLPFTN-ABKXIKBNSA-N 427.448 3.911 0 40 IHAB O=C(c1ccn(-c2ccc3ccc(-c4cccnc4)cn23)n1)N1CCC(N2CCCC2)CC1 96155353 RUYVYWIXZJXHMW-UHFFFAOYSA-N 440.551 3.887 0 40 IHAB CCC(=O)N1CCc2nc3cc([C@@H]4CCCCN4Cc4cccc(F)c4)nn3c(O)c2C1 100233946 FXABUTCFLRHAMB-NRFANRHFSA-N 437.519 3.596 0 40 IHAB CCc1ccccc1O[C@H](C)C(=O)N(C)Cc1nc(-c2ccc(OC)cc2OC)no1 219297130 DOQZUDDVSWNZLZ-OAHLLOKOSA-N 425.485 3.742 0 40 IHAB COc1cccc(N([C@@H](C)C(=O)NCCCc2ccc(C(C)C)cc2)S(C)(=O)=O)c1 220186736 DNYJMERYMYQWLP-SFHVURJKSA-N 432.586 3.722 0 40 IHAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1F 222589154 DKFSNBRAEYIWPE-QFIPXVFZSA-N 438.474 3.730 0 40 IHAB COc1ccc2c(c1)CCC[C@H]2NC(=O)CCCN(c1ccccc1F)S(C)(=O)=O 222985794 JOBHOAXMXXJQQI-HXUWFJFHSA-N 434.533 3.574 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)c2cc(C(=O)NCCCN3CCCCC3)ccc2C)cc1 224310495 NTDJBWWJAVMNOB-UHFFFAOYSA-N 443.613 3.734 0 40 IHAB O=C(NCCOc1ccc(F)cc1)C1CCN(Cc2ccc(Br)cc2)CC1 224548265 GTNPXPDXTAKNOW-UHFFFAOYSA-N 435.337 3.995 0 40 IHAB O=C(c1csc(Cc2ccccc2)n1)N1CC[C@H](O)[C@@H](Oc2ccccc2F)CC1 257327010 WZMALSXRYOJVAG-FPOVZHCZSA-N 426.513 3.918 0 40 IHAB CN(C(=O)c1ccc(F)cc1)[C@H]1CC[C@@]2(CCO)C[C@H](c3ccccc3)C[C@](C)(O2)[C@@H]1O 257335492 YKIZAXWBWMEANC-BKJGCJBKSA-N 441.543 3.895 0 40 IHAB CO[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2c2nc(O)c3c(n2)CN(C2CCCC2)CC3)CC1 257342818 ZQGJHGDYSLBEHP-SFGWALBWSA-N 442.604 3.742 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3OCC)CC2)cc1C 408561485 SYWPDZQLXKFQQN-UHFFFAOYSA-N 446.569 3.832 0 40 IHAB Cc1ccc(C(=O)CN(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)CCC2=O)cc1C 408643538 GDKYOSNMDQQAAH-UHFFFAOYSA-N 433.291 3.999 0 40 IHAB C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408705231 ZZCHTROSVNLDHQ-LLVKDONJSA-N 445.324 3.558 0 40 IHAB COc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2cc(Cl)c(O)c(OC)c2)C1=O 409215944 GTDIJCDCROXVLK-SXGWCWSVSA-N 448.884 3.738 0 40 IHAB NC(=O)c1cccc(CNC(=O)Nc2ccc(CC(=O)N3CCCc4ccccc43)cc2)c1 506529472 JKFVNNAOSZPZOV-UHFFFAOYSA-N 442.519 3.629 0 40 IHAB O=C(c1cc(C2CC2)nc2ccccc12)N1CCOC[C@@H]1c1ncnn1-c1ccccc1 556464542 YCTKZFJWUSRTMI-HSZRJFAPSA-N 425.492 3.907 0 40 IHAB CC(C)(C)c1ccc(C(=O)NCCC(=O)N2CC[C@](CO)(Cc3ccc(F)cc3)C2)cc1 562214933 ZRMXBRIUMNDEPS-SANMLTNESA-N 440.559 3.697 0 40 IHAB O=C(CC1(N2Cc3ccccc3C2=O)CCCCC1)N1CCN(CCc2ccncc2)CC1 1548348105 HJUHOENPHZKCLD-UHFFFAOYSA-N 446.595 3.517 0 40 IHAB Cc1nc(CC(=O)N2CCC[C@@H]3[C@H]2CCCCc2ccccc2OCC(=O)N3C)cs1 1848354625 ZOEITXDYAXZZBG-NHCUHLMSSA-N 441.597 3.617 0 40 IHAB NC(=O)c1c(NC(=O)CN(C(=O)c2cccs2)C2CCCC2)sc2c1CCCC2 1368287 UPPRJTWJCKSXSM-UHFFFAOYSA-N 431.583 3.811 0 40 IHAB O=C(/N=c1\sn(-c2ccc(F)cc2)nc1C(=O)NCc1ccccc1)c1ccccc1 1417148 CZWPGYSSAPYOHS-RWEWTDSWSA-N 432.480 3.744 0 40 IHAB CC[C@@H](C)[C@@H](NC(=O)[C@H](C)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)OC 2132507 BTYHVYXEVYVEEP-VBURHUQHSA-N 437.492 3.931 0 40 IHAB biogenic CCOc1ccc(-c2nnc(SCC(=O)Nc3ccccc3Br)n2N)cc1 2382407 DDROPWMJEDSOIZ-UHFFFAOYSA-N 448.346 3.551 0 40 IHAB COc1cc2c(cc1OC)CN(C(=O)CSc1nnc3cc(C)c4ccccc4n13)CC2 2890833 GAQRLAFMQNFKHU-UHFFFAOYSA-N 448.548 3.885 0 40 IHAB CC(=O)Oc1ccc(/C=C(\NC(=O)c2ccco2)C(=O)Nc2ccc(C(C)=O)cc2)cc1 2950289 CCCGXLFGAPHUAK-STZFKDTASA-N 432.432 3.817 0 40 IHAB COc1ccc(C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2cccc(OC)c2)cc1 3223921 AIVVJTDWSCPWIB-UHFFFAOYSA-N 430.460 3.647 0 40 IHAB O=C(CSc1nnc2c(Cl)cc(C(F)(F)F)cn12)Nc1ccc2c(c1)OCO2 3406619 KDQGSOCWIUYTNR-UHFFFAOYSA-N 430.795 3.861 0 40 IHAB O=C(/C=C/c1cccc(Cl)c1Cl)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 3407690 CQZJYDALSZSRAS-BQYQJAHWSA-N 443.327 3.679 0 40 IHAB COc1ccc(NC(=O)CN(C)CC(=O)Nc2cc(Cl)ccc2OC)cc1Cl 3541338 FWAYWIVWXXBHFF-UHFFFAOYSA-N 426.300 3.520 0 40 IHAB CCc1ccc([C@@H]2[C@H](C(=O)OC(C)(C)C)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OC(C)(C)C)cc1 4112430 AHHPOYJXGWZWQZ-MVOHMCPASA-N 432.557 3.972 0 40 IHAB CCOCCCNC(=S)N(CCN(CC)CC)Cc1cc2cc(C)cc(C)c2[nH]c1=O 6193324 BPAIVINGYKMHST-UHFFFAOYSA-N 446.661 3.590 0 40 IHAB CC[C@@H](OC(=O)[C@H]1CC(=O)N(c2ccc(C(=O)OC(C)C)cc2)C1)C(=O)c1ccccc1 8383793 KZYPVTMXUKTQFQ-PZJWPPBQSA-N 437.492 3.809 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc2nc(NC(=O)c3ccc(N(C)C)cc3)sc2c1 8790478 FAZHCKDROLFBIZ-UHFFFAOYSA-N 432.571 3.645 0 40 IHAB O=C(C[C@@H]1CCS(=O)(=O)C1)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 8980636 JSMBIQXPXDVCFZ-ZDUSSCGKSA-N 440.443 3.721 0 40 IHAB CCOC(=O)c1[nH]c2ccccc2c1NC(=O)CCN1CCN(c2ccccc2F)CC1 9076566 GFJOAAJWXVXGQG-UHFFFAOYSA-N 438.503 3.635 0 40 IHAB CCOC(=O)Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 9141571 ZXWULUBXKJFRPR-UHFFFAOYSA-N 439.921 3.546 0 40 IHAB CCn1c(S[C@@H](C)C(=O)Nc2ccc(OC)cc2)nnc1-c1ccc2c(c1)OCO2 9290015 PYWFBGKJQFSADI-ZDUSSCGKSA-N 426.498 3.822 0 40 IHAB COc1cc2c(cc1OC)[C@@H](C)N(C(=O)C1=NN(c3cc(C)ccc3C)C(=O)CC1)CC2 9410047 BKRUBLCHBNNRSY-QGZVFWFLSA-N 435.524 3.949 0 40 IHAB CCCCN1C(=O)[C@@H]2[C@@H]3C=Cc4ccc5cccnc5c4N3[C@H](C(=O)C(C)(C)C)[C@@H]2C1=O 9422958 SZVXYWDZONQOJK-JYLXEMOASA-N 431.536 3.835 0 40 IHAB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)O[C@H](C)C(=O)N1c2ccccc2C[C@H]1C 9466416 YAOXMLAHRDMURR-PZPWOCDFSA-N 444.478 3.629 0 40 IHAB CCOC(=O)c1c(NC(=O)c2c(F)cccc2F)sc2c1CCN(C(=O)OCC)C2 9639303 WUHANRPGXBSVMV-UHFFFAOYSA-N 438.452 3.970 0 40 IHAB CC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-n2cccc2)cc1 9737796 ILEATMJXNXRCGZ-UHFFFAOYSA-N 432.509 3.747 0 40 IHAB C[C@H](NC(=O)c1ccccc1NC(=O)CSc1nnc(C2CC2)n1C)c1ccccc1 9764479 XNLINVGGGVTDNJ-HNNXBMFYSA-N 435.553 3.914 0 40 IHAB COc1ccc(NC(=O)CSc2nnc3ccc(-c4ccc(F)cc4)nn23)c(OC)c1 9829125 HREPEZUQIIHNRF-UHFFFAOYSA-N 439.472 3.678 0 40 IHAB Fc1ccccc1N1CCN(c2nc3ccccc3c3nc(-c4cccnc4)nn23)CC1 9831081 ZTTIDMDTWWBLJG-UHFFFAOYSA-N 425.471 3.805 0 40 IHAB COc1ccc(-c2noc(CN(C)S(=O)(=O)c3cc(Cl)ccc3Cl)n2)cc1 10058913 GXDSCPJYOLGURV-UHFFFAOYSA-N 428.297 3.873 0 40 IHAB Cc1nc2ccc(Cl)cc2cc1C(=O)OCC(=O)Nc1ccccc1C(=O)NC1CC1 10468699 DZBJEBSWJSGTRO-UHFFFAOYSA-N 437.883 3.884 0 40 IHAB CCN(CC)C(=O)c1ccc(NC(=O)C2(S(=O)(=O)c3ccccc3)CCCC2)cc1 11403900 PGVPGLYJINNFKD-UHFFFAOYSA-N 428.554 3.894 0 40 IHAB CCOC(=O)c1ccccc1O[C@@H](CC)C(=O)NCC(=O)c1ccc(OC)c(Cl)c1 11615316 JZPZVHZOJWQTCR-SFHVURJKSA-N 433.888 3.682 0 40 IHAB COC(=O)c1ccc2c(=O)n(CCCC(=O)NCc3ccc(Cl)cc3)c(=S)[nH]c2c1 12416138 ANCNSIKEJZCNPU-UHFFFAOYSA-N 445.928 3.596 0 40 IHAB COC(=O)c1sccc1S(=O)(=O)NCCc1ccc(-c2csc(C)n2)s1 12939072 ZZWFCQMQJRMFLH-UHFFFAOYSA-N 428.582 3.549 0 40 IHAB COC(=O)c1ccc2c(=O)[nH]c(CN(Cc3cccs3)Cc3ccccc3OC)nc2c1 12951148 TWKTUSNFXNFXON-UHFFFAOYSA-N 449.532 3.982 0 40 IHAB CCOc1ccccc1OCC(=O)N(CC(=O)Nc1cccc(C)c1C)C[C@@H]1CCCO1 13039653 KTADRUIHHKACRK-FQEVSTJZSA-N 440.540 3.727 0 40 IHAB O=C1[C@H]2CC(Cl)=CC[C@H]2C(=O)N1c1ccc(N2C(=O)[C@@H]3CC=C(Cl)C[C@H]3C2=O)cc1 13635168 LLATXXZJLCJMCN-TVFCKZIOSA-N 445.302 3.731 0 40 IHAB CC[C@@H](C(=O)NCCSCc1ccccc1Cl)N(c1ccccc1)S(C)(=O)=O 13711171 GKOVISQYZBHJCS-IBGZPJMESA-N 441.018 3.934 0 40 IHAB Cc1cccc(NC(=O)CNC(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)c1C 14157856 RZPVBNSRRQPORO-UHFFFAOYSA-N 440.503 3.679 0 40 IHAB Cc1cc(Br)ccc1NC(=O)CNC(=O)c1ccc2c(c1)NC(=O)CCS2 14158460 GAKQFPHNDHERFC-UHFFFAOYSA-N 448.342 3.560 0 40 IHAB CNC(=O)[C@@H]1CN(C(=O)c2cc3c(C)nn(Cc4ccccc4)c3s2)c2ccccc2O1 14240793 JRNRGEIVHFFNQC-FQEVSTJZSA-N 446.532 3.608 0 40 IHAB CCCCCc1ccc(C(=O)CCC(=O)OCC(=O)NC(=O)NCc2ccco2)cc1 14357646 YKWSYHLCGOATOU-UHFFFAOYSA-N 428.485 3.544 0 40 IHAB O=C(CSc1ccc(Br)cc1)NCc1nnc2ccc(C(F)(F)F)cn12 14681397 LVUIEGFONXKTQC-UHFFFAOYSA-N 445.264 3.919 0 40 IHAB Cc1nc(-c2ccc(N(C)C)cc2)cc([C@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)C(C)(C)C)n1 15672634 HJRIRUJJIUJJEE-NNWRFLSQSA-N 435.616 3.858 0 40 IHAB biogenic,in-vitro CC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2ccc3ccccc3c2)CC1 17098068 KICPWNIUCLFYEI-UHFFFAOYSA-N 432.549 3.635 0 40 IHAB Cc1noc(C)c1CC(=O)N1CCC[C@H](c2nc(N(C)C)ncc2-c2cccc(F)c2)C1 19694280 HHFFJSVEFWNPSU-SFHVURJKSA-N 437.519 3.902 0 40 IHAB NC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)Cc2ccccc2F)CC1 19700296 PJBYIKWIGYEUQQ-UHFFFAOYSA-N 431.511 3.767 0 40 IHAB CNc1nc([C@@H]2CCCCN2C(=O)CC2CC(C)(C)NC(C)(C)C2)nc2c1CCN(C)C2 19708670 VIEGKRPHYOQAMZ-FQEVSTJZSA-N 442.652 3.507 0 40 IHAB Cc1nc(C2CCN(C(=O)c3cnccn3)CC2)ncc1C(=O)Nc1ccc(Cl)cc1 19763792 DBXRQWKVOHIGTG-UHFFFAOYSA-N 436.903 3.501 0 40 IHAB Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(F)cc2)c(C)c1 20007736 RLVUHBCWWFITOO-JOCHJYFZSA-N 426.513 3.971 0 40 IHAB Cc1ccc(F)cc1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 20008405 NSFNPGGMQBZNBQ-OAQYLSRUSA-N 430.476 3.802 0 40 IHAB COc1ccc(S(=O)(=O)N[C@@H]2CCCc3ccccc32)cc1I 20489455 MHBMMBDYMGTMEP-MRXNPFEDSA-N 443.306 3.656 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)NC(C)(C)C)c2cccc(Br)c2)cc1 22276190 MTDRAESOTDUTHO-UHFFFAOYSA-N 439.375 3.868 0 40 IHAB CCCOc1ccccc1CCCNC(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 22328823 MRJQYIZJUKIBRN-UHFFFAOYSA-N 432.586 3.607 0 40 IHAB CCCOc1ccc(N(CC(=O)Nc2ccccc2Br)S(C)(=O)=O)cc1 22382583 AWMSRMAYXWGFSH-UHFFFAOYSA-N 441.347 3.643 0 40 IHAB O=S(=O)(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1ccc2ccccc2c1 22516320 BVZKXYLHEMFMLA-UHFFFAOYSA-N 439.518 3.836 0 40 IHAB Cc1cccc(C)c1NC(=O)CSc1nnc2nc(O)c(-c3ccc(Cl)cc3)nn12 22720391 VOPTVROHGMQMOQ-UHFFFAOYSA-N 440.916 3.893 0 40 IHAB Fc1ccc(Cn2nnnc2CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 22929244 BKWZYAOZFVEWTM-UHFFFAOYSA-N 442.542 3.768 0 40 IHAB O=C(c1ccccc1OCc1ccc(Cl)cc1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 23315430 MRAWUGNWSIDRGK-LJQANCHMSA-N 442.943 3.630 0 40 IHAB O=C(NC1CC1)[C@H](c1ccccc1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 23351708 RUUSIJFOGSXRLL-QHCPKHFHSA-N 432.593 3.948 0 40 IHAB COC(=O)c1cccc(S(=O)(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1 24259645 AWWWLZQZCXVTSV-INIZCTEOSA-N 438.505 3.765 0 40 IHAB CN(CC(=O)Nc1ccccc1Cl)C(=O)C1(NC(=O)NCc2ccccc2)CCCC1 24646562 HQRFGOHKUKBHEK-UHFFFAOYSA-N 442.947 3.549 0 40 IHAB COc1ccc(N2C[C@@H](C(=O)Nc3nc(-c4cccs4)cs3)CC2=O)cc1OC 24749688 DDQGCUIBSHRXBH-LBPRGKRZSA-N 429.523 3.880 0 40 IHAB Cc1c(CC(=O)N[C@@H](C(=O)O)C(C)C)c(=O)oc2cc3c(cc12)CCC1(CCCCC1)O3 25077075 XXDQWHTWMFHMTN-JOCHJYFZSA-N 441.524 3.897 0 40 IHAB biogenic COc1ccc([C@H](CNC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)N(C)C)cc1 28932348 ZOMANXYAYBGNLA-PKOBYXMFSA-N 433.961 3.571 0 40 IHAB O=C(Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)c1ccccc1I 30175769 CAWDLPQCMAWCJW-MRXNPFEDSA-N 436.249 3.661 0 40 IHAB COCCNc1nnc(SCc2nc(-c3cccc(Br)c3)no2)s1 32745336 VFYFVHNWYFISAQ-UHFFFAOYSA-N 428.337 3.701 0 40 IHAB Cc1ccc(Cc2cnc(NC(=O)CCn3cnc4sccc4c3=O)s2)cc1F 32817106 HMGUWAPVNCYYGZ-UHFFFAOYSA-N 428.514 3.982 0 40 IHAB COC(=O)[C@H](c1ccccc1Cl)N1CCN(C(=O)CCc2ccccc2Cl)CC1 32882157 TVCHQANPLQIZCV-NRFANRHFSA-N 435.351 3.985 0 40 IHAB COc1ccc([C@@H](CNC(=O)C(C)(C)Oc2ccc(Cl)cc2)N2CCOCC2)cc1 32969222 FOJGEOKQZCOZRR-OAQYLSRUSA-N 432.948 3.696 0 40 IHAB CCc1ccccc1NC(=O)CN1CCN(C(=O)c2cc3c(s2)CCCCC3)CC1 35362772 RDYUBJQFFCILIS-UHFFFAOYSA-N 425.598 3.976 0 40 IHAB Cc1nc(NCCNC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc(-n2cccn2)n1 35597343 FMLTYKKYCZEAOY-UHFFFAOYSA-N 439.829 3.877 0 40 IHAB COc1ccc(OC)c(NC(=O)[C@@H]2C[C@H](C(C)C)N[C@]23C(=O)Nc2c(Cl)cccc23)c1 35828275 FWLWZNRQCPFTRS-JCEJCQQGSA-N 443.931 3.777 0 40 IHAB O=c1c2ccccc2n(Cc2nc(-c3ccccc3Cl)no2)c(=O)n1Cc1ccco1 38486485 DBPUKJMKWLUXQS-UHFFFAOYSA-N 434.839 3.556 0 40 IHAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)c1cc(C)cc(Br)c1O)CC3 58391881 RKXDDSYLJATOCY-UHFFFAOYSA-N 443.297 3.930 0 40 IHAB Cc1cc(C)n(CCCC(=O)N2CCNC(=O)[C@@H]2Cc2cccc(-c3cccc(F)c3)c2)n1 72351415 GSFBDHAGPLIBPQ-DEOSSOPVSA-N 448.542 3.656 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccnc(Nc3ccccn3)n2)cc1 72377735 DGFFJZSTFSUJBI-IBGZPJMESA-N 425.514 3.540 0 40 IHAB CCOC(=O)c1[nH]c(C)c(C(=O)Nc2nc(CCCc3c[nH]c4ccccc34)n[nH]2)c1C 95472393 YGZHRJDZDLIZGJ-UHFFFAOYSA-N 434.500 3.835 0 40 IHAB Cc1cc2c(c(=O)o1)[C@@H](c1ccc3c(c1)OCO3)[C@H](C(=O)Nc1ccc(Cl)cc1)O2 96336014 METNQRVYFVYZHC-UYAOXDASSA-N 425.824 3.862 0 40 IHAB COc1cc([C@H]2CC(=O)c3cnc4[nH]n(-c5ccccc5)c(=O)c4c3C2)cc(OC)c1OC 100130385 DYTXFCFILVTMCI-CQSZACIVSA-N 445.475 3.652 0 40 IHAB Cc1cccc(C)c1N1C(=O)[C@@H]2N=NN(CC(=O)Nc3ccc(Cl)c(Cl)c3)[C@H]2C1=O 102001404 CJBHGYLPCXQRCN-SJLPKXTDSA-N 446.294 3.542 0 40 IHAB Cc1cc(C)nc(Sc2ccc(NC(=O)CCN3C(=O)[C@H]4CCCC[C@H]4C3=O)cc2)n1 102709963 FXOUMHODGVXUAV-KDURUIRLSA-N 438.553 3.748 0 40 IHAB Cc1ccc(Cl)c(NC(=O)C(=O)[C@@H](C(=O)c2ccncc2)[C@H]2OC(=O)c3ccccc32)c1 102977271 UJIZTXYLKSOPLS-KNQAVFIVSA-N 448.862 3.962 0 40 IHAB COc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C)cc1 138402346 BZQTYESONYOCOU-UHFFFAOYSA-N 426.494 3.822 0 40 IHAB CN1C(=O)Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc21 202111089 LKEGLIWDBDMJSE-UHFFFAOYSA-N 426.973 3.833 0 40 IHAB in-vitro Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-n1cnnc1 223374956 RWUWRMVFHIYEBJ-FCHUYYIVSA-N 429.553 3.576 0 40 IHAB O=C(NCCO)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 223494122 ZXRVFHZDZVYGTR-RUZDIDTESA-N 434.511 3.637 0 40 IHAB C[C@H](C(=O)NCCOc1cccc2ccccc12)N(c1ccc(Cl)cc1)S(C)(=O)=O 223527089 BGFHFRVSIMRQGG-MRXNPFEDSA-N 446.956 3.843 0 40 IHAB CC[C@@H](C(=O)NCCOc1ccccc1C(C)C)N(c1ccc(OC)cc1)S(C)(=O)=O 223821651 RMXJKZDCAYQNPL-NRFANRHFSA-N 448.585 3.558 0 40 IHAB COc1ccc2c(c1)CCC[C@@H]2NC(=O)c1ccc(C)c(N2CCCCS2(=O)=O)c1 224400225 BJZFWOPYRHQSIN-NRFANRHFSA-N 428.554 3.741 0 40 IHAB CCN(Cc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1)S(=O)(=O)c1ccccc1 224446102 WALNTSHKPDZZOI-UHFFFAOYSA-N 438.505 3.878 0 40 IHAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NCc3cccc(F)c3)cc2)cc1 224519543 RFCPCEARSOBKDY-UHFFFAOYSA-N 442.512 3.585 0 40 IHAB CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H]3CC(C)(C)Oc4cc(C)ccc43)ccc21 224593161 YHNJUTXMSLLAIE-LJQANCHMSA-N 428.554 3.875 0 40 IHAB CCc1cccc(CC)c1N(CCCC(=O)NCCOc1ccccc1C)S(C)(=O)=O 224827522 HOJVTVFVFKVPBB-UHFFFAOYSA-N 446.613 3.861 0 40 IHAB CC[C@@H](NS(=O)(=O)c1nnc(NC(=O)c2cccc(C)c2)s1)c1ccc(OC)cc1 225265406 RMGAVYXTWVETLJ-QGZVFWFLSA-N 446.554 3.537 0 40 IHAB CCc1ccc([C@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1 225503485 VHTPTZYLWBGNPP-KRWDZBQOSA-N 430.570 3.536 0 40 IHAB CCOc1ccc(CNS(=O)(=O)c2cc(Br)ccc2OC)cc1OCC 225600994 WKEGQOXIRSQYMM-UHFFFAOYSA-N 444.347 3.734 0 40 IHAB COc1ccc(OC)c(-c2cc(C(=O)NC[C@@H](O)c3csc4ccccc34)n(C)n2)c1 225694161 MYMPNPNYZWHSMM-HXUWFJFHSA-N 437.521 3.782 0 40 IHAB COc1cccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2)c1 225738828 KNIKOKJQKHRUCV-UHFFFAOYSA-N 426.519 3.921 0 40 IHAB COC(=O)[C@@H](NC(=O)c1cnc(OC2CCOCC2)c(Cl)c1)c1ccc(Cl)cc1 238832309 GEZUZGOTERCFOA-KRWDZBQOSA-N 439.295 3.590 0 40 IHAB CCc1noc(CCC(=O)NC[C@H]2CC[C@H](c3c(C(N)=O)sc4ccccc43)CC2)n1 257238984 HNKOJDUMKIUEGC-SHTZXODSSA-N 440.569 3.968 0 40 IHAB COc1ccc(C2(C(=O)N3CCOC[C@@H](Cc4ccc5nccn5c4)C3)CCCC2)cc1 257251685 JRTGKUIRMYVICB-NRFANRHFSA-N 433.552 3.872 0 40 IHAB NC(=O)C[C@@]1(COc2ccccc2)CCCN(C(=O)Cc2ccccc2Br)C1 257283758 OZTSIRYSPKKFLJ-QFIPXVFZSA-N 445.357 3.555 0 40 IHAB CCCc1cc(Nc2ncc(C)s2)nc(C2CCN(C(=O)[C@@H]3CCCCN3)CC2)n1 257342146 ZNGLZZDSJWWQDL-SFHVURJKSA-N 428.606 3.786 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](C)c3ccccc3)C2)cc1C 408557212 MBZUMFDZSBRBJC-QUCCMNQESA-N 430.570 3.672 0 40 IHAB Cc1cccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(C(=O)OCC(C)C)cc2)c1 408658896 JFAXIMQHGKPUMO-UHFFFAOYSA-N 440.496 3.708 0 40 IHAB CC(=O)Nc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(C)c(Cl)c2)cc1 408665149 UWQNNBPJVPLPBR-UHFFFAOYSA-N 431.876 3.507 0 40 IHAB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(Br)c(C)c3)CC2=O)cc1 409148274 YCJVMNMAYZFOQC-HNNXBMFYSA-N 445.313 3.601 0 40 IHAB CCc1ccc(NC(=O)COc2ccc(C(=S)N3CCN(C)CC3)cc2Cl)cc1 409245150 OCJQMAJAJYQFLG-UHFFFAOYSA-N 431.989 3.843 0 40 IHAB COc1ccccc1N(CC(=O)Nc1ccc(Br)c(Cl)c1)S(C)(=O)=O 409266459 WZBHJMFQMQRHDO-UHFFFAOYSA-N 447.738 3.516 0 40 IHAB COc1ccc(NC(=O)c2cnc3c(c2)nnn3C)cc1OCc1ccc2ccccc2n1 541609267 LGNCGVMWZVPNGD-UHFFFAOYSA-N 440.463 3.751 0 40 IHAB CC(C)Sc1ccc(CC(=O)N2CCC(n3nc(C(F)(F)F)n(C)c3=O)CC2)cc1 575615773 UXYQNFJYOMMLGC-UHFFFAOYSA-N 442.507 3.507 0 40 IHAB 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O=C(CN1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21)Nc1ccc(F)cc1Cl 12561878 RUGGIKUBLMJNEP-HXUWFJFHSA-N 431.895 3.698 0 40 IHAB C[C@H](Sc1nnc2c(Cl)cc(Cl)cn12)C(=O)c1ccc(NS(C)(=O)=O)cc1 12604561 DRENCQHKWYDNFI-VIFPVBQESA-N 445.353 3.771 0 40 IHAB CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NCc1nc(-c2cccs2)no1 12643995 AMECKCJOWZZFEM-UHFFFAOYSA-N 447.586 3.651 0 40 IHAB CCCOc1ccc2ccccc2c1CN(C)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 12867384 APFZNDPSTNAOBT-UHFFFAOYSA-N 447.578 3.853 0 40 IHAB O=C(NCc1ccccc1)[C@@H](c1ccc(Cl)cc1)N(C(=O)c1csnn1)C1CC1 12873002 VXQKTSQVKJVXLE-LJQANCHMSA-N 426.929 3.854 0 40 IHAB COC(=O)c1ccc(CNC(=O)COC(=O)c2ccc3noc(-c4ccccc4)c3c2)cc1 13017696 IAJBYHRKOZZSSD-UHFFFAOYSA-N 444.443 3.755 0 40 IHAB COc1cc2c(cc1OC)[C@H](c1ccc(F)cc1)N(C(=O)N[C@@H](CC(C)C)C(=O)O)CC2 13608692 WVBLLEMUOGFVPR-UGKGYDQZSA-N 444.503 3.999 0 40 IHAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](CC)N(c1ccc(C)cc1)S(C)(=O)=O 13686130 XKRKPSSTHZXSJC-DYESRHJHSA-N 445.585 3.707 0 40 IHAB COc1ccc2c(c1)OC1(CCN(C[C@H](O)c3ccc(Br)cc3)CC1)C[C@@H]2O 13998244 WFMHTROHQNRTAM-PMACEKPBSA-N 448.357 3.842 0 40 IHAB CCN(CC(=O)Nc1ccc(OC)cc1)Cn1nc(-c2ccc3c(c2)OCO3)oc1=S 14245382 LDSLKAMWHMSRCQ-UHFFFAOYSA-N 442.497 3.528 0 40 IHAB C[C@@H](CC(=O)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1)c1ccccc1 15743889 YWYITCXOYNOKPA-INIZCTEOSA-N 440.487 3.732 0 40 IHAB COc1ccc(-c2nc(C)c(CCNC(=O)C(=O)Nc3ccccc3F)s2)cc1OC 16991922 QSCMLKNKEUIOCM-UHFFFAOYSA-N 443.500 3.572 0 40 IHAB CC(C)(C(=O)N1CCNC(=O)[C@H](Cc2ccccc2-c2ccncc2)C1)c1ccc(F)cc1 19085050 AEOANLNYNVVXBJ-OAQYLSRUSA-N 445.538 3.983 0 40 IHAB COc1ccc(-c2cnc(N(C)C)nc2C2CCN(C(=O)C[C@H]3CCCCO3)CC2)cc1 19695340 QDFFHHFESFHYNT-OAQYLSRUSA-N 438.572 3.883 0 40 IHAB CNc1nc([C@@H]2CCCN2C(C)=O)nc2c1CN(Cc1c(C)[nH]c3ccc(F)cc13)CC2 19710812 HPGQBUNQHOGQTL-QFIPXVFZSA-N 436.535 3.689 0 40 IHAB Cc1nn(C)cc1CN1CCC[C@H]1c1nc(C)c2c(n1)N(CCc1ccccc1)C(=O)CC2 19740652 JFSDKQRFTFVJQU-QHCPKHFHSA-N 444.583 3.686 0 40 IHAB COc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cnc(C)nc3C)CC2)c1 19747037 SKUFHJDOTBGXOO-QHCPKHFHSA-N 436.556 3.649 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)cc1Cl 20040743 FQAZDTFPKXNPPZ-UHFFFAOYSA-N 438.933 3.538 0 40 IHAB COc1ccc(S[C@@H](C)C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1OC 20107342 GJTJOULNTAEYRJ-JKSUJKDBSA-N 444.553 3.732 0 40 IHAB COc1ccccc1N(CC(=O)NCCCc1ccccc1)S(=O)(=O)c1cccs1 21026271 ANRPYMFFOOKUJD-UHFFFAOYSA-N 444.578 3.701 0 40 IHAB O=C(CN1N=C(c2ccccc2)c2cc(Cl)ccc2S1(=O)=O)NC1CCCCC1 21942582 ICEFJHXCODBXCZ-UHFFFAOYSA-N 431.945 3.546 0 40 IHAB CC(C)c1nnc(S[C@H](C)C(=O)N2CCN(c3ccccc3)CC2)n1Cc1ccco1 22133463 XJEVNJAUYODKNI-GOSISDBHSA-N 439.585 3.872 0 40 IHAB CC(=O)Nc1cccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1 22348938 AOVAMASYJQADOE-UHFFFAOYSA-N 437.521 3.787 0 40 IHAB CCOC(=O)c1ccc(-n2ccc3nc(N4CCc5ccccc5C4)ncc3c2=O)cc1 22608879 DSISOQOPPNEOKY-UHFFFAOYSA-N 426.476 3.520 0 40 IHAB C[C@@H](O)CNCCNCc1cc(Br)ccc1OCc1ccc(Cl)cc1 23469524 IYEOMNNGRRQORU-CQSZACIVSA-N 427.770 3.742 0 40 IHAB O=C(CSc1nnc(Cc2ccccc2)o1)N1CCN(Cc2cccc(Cl)c2)CC1 27216304 QXOPJZJGGJTLON-UHFFFAOYSA-N 442.972 3.750 0 40 IHAB O[C@@H](COc1ccc(F)cc1)CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1 32750944 IQNVDRGEQJZQLY-RDJZCZTQSA-N 435.546 3.857 0 40 IHAB CCn1cnc2c1c(=O)n(Cc1csc(-c3ccccc3)n1)c(=O)n2Cc1ccccc1 37868050 NJKVULGTEDDDJY-UHFFFAOYSA-N 443.532 3.600 0 40 IHAB CC(C)=C(NC(=O)c1ccccc1Br)C(=O)NCCc1nc2ccccc2[nH]1 38151013 SWPVRBRZVOJDEO-UHFFFAOYSA-N 441.329 3.708 0 40 IHAB COc1cc(CNC(=O)c2c(Br)c3ccccc3n2C)cc(OC)c1OC 40090027 AASOUEVDKUBWBF-UHFFFAOYSA-N 433.302 3.897 0 40 IHAB COc1ccc(Oc2ccc(CNC(=O)c3nc(N4CCCC4)ncc3Cl)cn2)cc1 40142410 XBJIULZMLOINJL-UHFFFAOYSA-N 439.903 3.856 0 40 IHAB Cc1nccn1-c1ccc(CNC(=O)[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)cn1 40156079 CSYBQTQDLTTYRR-OJNXCIKNSA-N 449.599 3.549 0 40 IHAB COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)Oc4ccccc43)cc2)cc1 41158123 YHZCCSUNFQEQMI-INIZCTEOSA-N 438.505 3.924 0 40 IHAB COc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@H]2c2ccc(OC)c(OC)c2)cn1 44892047 DFVZGFCPKJYCKX-PKTZIBPZSA-N 447.491 3.657 0 40 IHAB CC(=O)N1CSC[C@@H]1C(=O)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 48374134 MAWJCGZYDDLZEE-DYESRHJHSA-N 427.957 3.991 0 40 IHAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2ncc(CN[C@@H](C)c3ccc4c(c3)CCCC4)cc12 58172271 MZBGMNCHULERMF-AOMKIAJQSA-N 438.597 3.829 0 40 IHAB COC(=O)[C@@H](CC(C)C)NC(=O)Cc1csc(-c2cc(Br)cs2)n1 59420844 INIZOHRAGOCDBC-GFCCVEGCSA-N 431.377 3.881 0 40 IHAB COc1cccc(-c2cn(C)c3c(=O)n(CC(=O)Nc4ccc(Cl)cc4F)cnc23)c1 67235554 IRRNXTXMJULFKR-UHFFFAOYSA-N 440.862 3.842 0 40 IHAB CCOc1ccccc1N1CCN(C(=O)c2n[nH]nc2Nc2cccc(Cl)c2)CC1 67284685 LOBSZBFSHRQJBQ-UHFFFAOYSA-N 426.908 3.563 0 40 IHAB COc1ccc(/N=c2\oc3c(OC)cccc3cc2C(=O)NC[C@@H]2CCCO2)cc1F 67294185 UYDMKTDHMUOFCC-BTAOAOQOSA-N 426.444 3.730 0 40 IHAB CC(=O)Nc1cc(NC(=O)NC[C@H]2[C@@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)ccc1C 72314447 FIRCOTVNRJEDPO-KDOFPFPSSA-N 434.537 3.835 0 40 IHAB Cc1nc([C@H]2CCCN2C(=O)c2ccc(N)nc2)nc2c1CCCN2CCc1ccccc1 72373829 NUASTPINBIFSIC-JOCHJYFZSA-N 442.567 3.735 0 40 IHAB CCOC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N(CC)C(=O)[C@H](C)S(=O)(=O)C(C)C 89960797 JKSPPFLYESLBCL-LRDDRELGSA-N 438.373 3.658 0 40 IHAB Cc1cc(C)nc(-n2nc(C)c(CC(=O)Nc3cnc(N4CCCCC4)c(C)c3)c2C)n1 95462451 CMAXEZSIUOBQIF-UHFFFAOYSA-N 433.560 3.771 0 40 IHAB CN(C)C(=O)n1c(C(=O)NCCc2ccncc2)cc2c1c1ccccc1n2CC1CC1 96146519 HWYMWNNTEOPBCH-UHFFFAOYSA-N 429.524 3.903 0 40 IHAB CC(C)C(=O)N1CCc2nc3cc([C@@H]4CCCCN4Cc4ccccc4)nn3c(O)c2C1 100243176 MTIUOTKUJVFPFI-QFIPXVFZSA-N 433.556 3.703 0 40 IHAB CSCC[C@H](C(=O)Nc1nc2ccc(F)cc2s1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 101404549 JNZKBOVMUMNORJ-VNHYZAJKSA-N 435.546 3.671 0 40 IHAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)N1CCC(c2nc3ccccc3s2)CC1 102871492 ASNUHCKIBYDKIK-CALCHBBNSA-N 425.554 3.568 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2OC)c2ccc(C)cc2)cc1 113933703 IWIMHNKVABQSIF-UHFFFAOYSA-N 440.521 3.846 0 40 IHAB COc1ccc(CCNS(=O)(=O)c2cc(C(=O)O)ccc2NC2CCCCC2)cc1 217485874 RWKKZYWMDNCJGP-UHFFFAOYSA-N 432.542 3.659 0 40 IHAB CC[C@@H](C(=O)NCCCc1ccc(OC)cc1)N(c1cc(C)ccc1C)S(C)(=O)=O 220548552 NNNXXVLXMMNVDW-NRFANRHFSA-N 432.586 3.606 0 40 IHAB CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1)c1ccccc1F 222387830 SKVANECBKWEXHD-UHFFFAOYSA-N 442.468 3.773 0 40 IHAB COc1ccc(CCNC(=O)[C@@H](C)N(Cc2ccc(F)cc2)C(=O)C(C)C)cc1OC 222912825 YJYSRPMECSWWSK-QGZVFWFLSA-N 430.520 3.575 0 40 IHAB CCc1ccccc1N(CC(=O)Nc1nnc(SC)s1)S(=O)(=O)c1ccccc1 223249381 RRDDWGJUJXDQLV-UHFFFAOYSA-N 448.595 3.656 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCc2ccc(F)cc2)c2ccccc2F)cc1 223591242 HMKMGGALJHRXNR-UHFFFAOYSA-N 444.503 3.827 0 40 IHAB COc1cccc(OCCNC(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)c1 224083713 REVCHIGLDYEYKJ-UHFFFAOYSA-N 440.521 3.613 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)Nc1cccc(C(C)=O)c1 224545559 HACNQICEVAKDAA-UHFFFAOYSA-N 444.553 3.644 0 40 IHAB CCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(OC)c(OC)c1 224547829 UJHHVJMCELJMDY-NRFANRHFSA-N 442.556 3.589 0 40 IHAB COc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)c1 224574048 KWNCNBAYWDSZHC-UHFFFAOYSA-N 426.494 3.822 0 40 IHAB Cc1cccc(C(C)C)c1N(CCCC(=O)NCCOc1ccccc1)S(C)(=O)=O 224857315 WYHLLXATMAMJPJ-UHFFFAOYSA-N 432.586 3.860 0 40 IHAB CCOC(=O)c1ccc(N(CC(=O)OC)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 224930862 DQVUVZWPYDDZQL-UHFFFAOYSA-N 446.308 3.538 0 40 IHAB CCOC(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccc(OC)c(Cl)c1 224952275 YTAAOTZVJVMWQG-UHFFFAOYSA-N 427.906 3.506 0 40 IHAB CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CSCc1ccc(OC)cc1 225041493 FTLQMAIRNXIIIU-LJQANCHMSA-N 428.598 3.914 0 40 IHAB CC(C)CSc1nnc(NC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)s1 225070339 LIFLKAHFVOGDHZ-NSHDSACASA-N 449.023 3.733 0 40 IHAB CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSCc1ccc(Br)cc1 225184931 FTXNARRMYYDUKK-OAHLLOKOSA-N 435.387 3.846 0 40 IHAB CSc1ccc(S(=O)(=O)N(C)CC(=O)NCCCc2cccc3ccccc23)cc1 225315145 IDEDABHPIVTAJY-UHFFFAOYSA-N 442.606 3.931 0 40 IHAB Cc1csc(Nc2cccc(C3CCN(S(=O)(=O)c4c(C)noc4C)CC3)n2)n1 257224233 FAXAHMMZGLZVSU-UHFFFAOYSA-N 433.559 3.763 0 40 IHAB CCN1CCC(CC(=O)N2CCO[C@@H](c3cccc(Cc4ccccc4F)n3)C2)CC1 257232783 GMJXNKNBLAIIGO-XMMPIXPASA-N 425.548 3.833 0 40 IHAB CCN1CCN(C(=O)c2ccnc(OC)c2)[C@H](Cc2ccccc2-c2ccccc2)C1=O 257278756 ODOAJYRVRWUUIO-HSZRJFAPSA-N 429.520 3.673 0 40 IHAB COc1ccccc1OCC(=O)NC[C@H]1CC[C@H](c2cc(C(N)=O)c3ccccc3n2)CC1 257285942 PJMSOOFMQCMQRJ-IYARVYRRSA-N 447.535 3.811 0 40 IHAB O=C(c1ccnc(N2CCOCC2)c1)N1CCC[C@H](Cc2ccnc3ccccc23)CC1 257315289 VARKSMSFZYGMQR-FQEVSTJZSA-N 430.552 3.951 0 40 IHAB CCOc1ccccc1NC(=O)COC(=O)CCC(=O)Nc1ccc(Br)cc1 408665060 STHKVNDFPGWNJM-UHFFFAOYSA-N 449.301 3.748 0 40 IHAB CS(=O)(=O)N(CC(=O)N(Cc1ccccc1)Cc1ccccc1)c1ccc(F)c(F)c1 408681591 YHCJIGMLPFCAFQ-UHFFFAOYSA-N 444.503 3.960 0 40 IHAB COC(=O)c1cccc(-c2ccc(/C=C3/SC(=O)N([C@H](C)C(=O)OC)C3=O)o2)c1C 409088439 LWJGEFGUSGUURO-YXHQGMJNSA-N 429.450 3.639 0 40 IHAB O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)NC[C@@H]1C[C@H]2C=C[C@H]1C2 524735006 YOMHNEGCTHBVHV-KOAQGZTJSA-N 427.504 3.520 0 40 IHAB COc1cc(CN(C)C[C@H](O)COC2CCCCC2)ccc1OCCN1CCC(C)CC1 585272045 FDHKPGIUVFSCJB-QHCPKHFHSA-N 448.648 3.948 0 40 IHAB O=C(CN1CCC[C@](O)(COc2ccc(Cl)c(Cl)c2)CC1)NCc1ccccc1 585274277 UZEJDCKWLXGNDX-JOCHJYFZSA-N 437.367 3.906 0 40 IHAB O=C(CN1CCCCCCOc2ccccc2Oc2ncccc2C1)NC1CCOCC1 643576695 PYJNMTVUCYUBOQ-UHFFFAOYSA-N 439.556 3.924 0 40 IHAB Cc1cc(CNC(=O)c2ccc3c(c2)CNCCCCCCCN3C(=O)C(C)C)n[nH]1 643583977 QRRDICMEDUJUBY-UHFFFAOYSA-N 425.577 3.691 0 40 IHAB O=C(NC1CCCC1)c1ccc2c(c1)[C@H](C1CCN(C(=O)CCc3ccc[nH]3)CC1)C(=O)N2 1565555976 LGEGSRVYNLUOBE-DEOSSOPVSA-N 448.567 3.594 0 40 IHAB Cn1c(=O)c2c(nc(Oc3ccccc3Cl)n2Cc2c(F)cccc2Cl)n(C)c1=O 622322 XKXUOQXASSACEQ-UHFFFAOYSA-N 449.269 3.720 0 40 IHAB COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(Cl)cc1Cl 814799 FPJFKBOOJADJIL-QGZVFWFLSA-N 431.283 3.916 0 40 IHAB CCOc1ccc(NC(=S)N(CCO)Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1 878476 BOAMVKWWCRKTLA-UHFFFAOYSA-N 425.554 3.735 0 40 IHAB Cc1ccc2cc(CN(C[C@H]3CCCO3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1C 923131 LLGORBXTQNXOEZ-HXUWFJFHSA-N 426.538 3.515 0 40 IHAB CCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(OCc2ccccc2Cl)cc1 955889 QPTHKEHIFHSLTO-IBGZPJMESA-N 425.876 3.758 0 40 IHAB COc1ccccc1CN(Cc1cc2cc(C)ccc2n2nnnc12)C(=O)c1ccncc1 1367214 FYNXUCJWWZJSKK-UHFFFAOYSA-N 438.491 3.832 0 40 IHAB NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(Br)cc2)cc1 2047040 OYZKFVIVPRQRQQ-UHFFFAOYSA-N 446.248 3.968 0 40 IHAB in-vivo C[C@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CCC(C(=O)c5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C 2108018 ATJMZTVSABUEJR-RJBAEKJRSA-N 437.580 3.866 0 40 IHAB CC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2cccc(OCC(C)C)c2)cc1 2240468 WNYDCKODXUGLKW-UHFFFAOYSA-N 444.582 3.681 0 40 IHAB CCOC(=O)CSc1nnc(CNC(=O)c2cccs2)n1-c1cc(C)ccc1C 2724036 BFDIPGNTKVOMOZ-UHFFFAOYSA-N 430.555 3.531 0 40 IHAB CCOc1ccccc1C(=O)N[C@H](C(=O)OCc1cc(=O)oc2cc(C)ccc12)C(C)C 3284453 RAZRWNUIQWSUKT-QHCPKHFHSA-N 437.492 3.998 0 40 IHAB CC(C)CC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)cc1 7001670 KBBOHROMOVEHKE-FYSMJZIKSA-N 427.545 3.991 0 40 IHAB CCN(CC)c1cc2c(cc1F)c(=O)c(S(=O)(=O)c1ccc(OC)cc1)cn2CC 8596758 KKSNZOYRGXAXRM-UHFFFAOYSA-N 432.517 3.848 0 40 IHAB COc1ccc(-c2nc3c(c(=O)[nH]c(=O)n3Cc3ccccc3)n2Cc2ccccc2)cc1 8671592 TUDSBAJYYNBGPR-UHFFFAOYSA-N 438.487 3.659 0 40 IHAB aggregator Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)c1 8723359 VOYUFXTZYDOZMP-KRWDZBQOSA-N 440.525 3.609 0 40 IHAB Cc1ccc(-c2csc3ncn(CC(=O)NC(=O)NCc4ccccc4)c(=O)c23)s1 8944307 VPLGYPAMLGVFTQ-UHFFFAOYSA-N 438.534 3.521 0 40 IHAB Cc1ccc(CNC(=O)[C@H]2CCc3sc(NC(=O)c4ccc5c(c4)OCO5)nc32)cc1 9132465 MTZZCYVPNNTFHV-INIZCTEOSA-N 435.505 3.779 0 40 IHAB COCCn1c(S[C@@H](C)C(=O)Nc2ccc(N(C)C)cc2)nnc1-c1ccccc1 9219100 ZVEXMFCRIBHJDE-INIZCTEOSA-N 425.558 3.777 0 40 IHAB COC(=O)c1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2C[C@H]2CCCO2)cc1 9304795 ILCHIIFNDOHHNR-XMSQKQJNSA-N 447.487 3.921 0 40 IHAB Cn1c(=O)c2c(-c3ccccc3)n3c(c2n(C)c1=O)[C@@H](c1c(F)cccc1Cl)OCC3 9347864 BDVNQIOYIKWYPU-OAQYLSRUSA-N 439.874 3.618 0 40 IHAB CC(C)n1c(SCC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)nc2ccccc21 9492331 UIJFBMJDAMVZMZ-UHFFFAOYSA-N 436.459 3.882 0 40 IHAB O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)NC1Cc2ccccc2C1 9504707 JMMACADGPIENGX-UHFFFAOYSA-N 427.533 3.705 0 40 IHAB COc1ccc(CCNC(=O)c2ccccc2NC(=O)CNCCc2ccc(F)cc2)cc1 9562350 GKRAHFHCWHGJPS-UHFFFAOYSA-N 449.526 3.578 0 40 IHAB CCn1nnc2cc(C(=O)Nc3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3)ccc21 9672315 GAXKLQAIZSIKRU-UHFFFAOYSA-N 439.472 3.643 0 40 IHAB C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1 9765565 DQLIKKANESXBIC-SJORKVTESA-N 433.533 3.658 0 40 IHAB COc1cc2nc(SCC(=O)Nc3cccc(Cl)c3)n3nc(C)nc3c2cc1OC 9838563 KUHNMGVVGOROSV-UHFFFAOYSA-N 443.916 3.987 0 40 IHAB COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2)CC1 10302960 IEOVYCGXBJSUDG-UHFFFAOYSA-N 426.897 3.527 0 40 IHAB O=C(C[C@H](NS(=O)(=O)c1ccc(F)c(F)c1F)c1ccc(F)cc1)N1CCCCC1 12781459 IPXYFQZFPPUKCC-INIZCTEOSA-N 444.450 3.665 0 40 IHAB COc1ccc(COC[C@H](O)Cn2nc(-c3ccc(C)cc3)c3ccccc3c2=O)cc1 12782951 OQYKDYSPLJWFNC-OAQYLSRUSA-N 430.504 3.958 0 40 IHAB CCn1c(C)cc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)c1C 12783412 UDCHDVWMNIJSFE-UHFFFAOYSA-N 444.384 3.578 0 40 IHAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)/C=C/c2c(F)cccc2Cl)CC1 12790375 BVQZVJRIGONVFM-MDZDMXLPSA-N 429.923 3.892 0 40 IHAB Cc1nn(CC(=O)Nc2ccccc2C(C)C)c(C)c1S(=O)(=O)N1CCC(C)CC1 12802464 KBJMMVNPYWRLAN-UHFFFAOYSA-N 432.590 3.683 0 40 IHAB CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccccc2F)CC1 12852213 XRBOHEJCAXBAOG-ZWKOTPCHSA-N 447.576 3.673 0 40 IHAB CN(CC(=O)Nc1ccc(Cl)cc1)Cc1cc2c(cc1Br)OCCO2 12994938 BXCAWNSJMYHWRT-UHFFFAOYSA-N 425.710 3.944 0 40 IHAB Cc1cc(C)n(CCCNC(=O)COc2ccc(Br)cc2Br)n1 13011043 NFPUQVFYQWFNHT-UHFFFAOYSA-N 445.155 3.610 0 40 IHAB CSc1ccc(Cl)c(C(=O)OCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 13029255 ZJEPLVXZHBJBNW-UHFFFAOYSA-N 445.928 3.655 0 40 IHAB CCN(CC)C(=O)c1ccc(NC(=O)CN(C)CC(=O)Nc2c(C)cc(C)cc2C)cc1 13098027 SVYFVXFBBFEWTR-UHFFFAOYSA-N 438.572 3.603 0 40 IHAB Cc1ccc(N(CC(=O)NC2CCCC2)C(=O)CCC(=O)Nc2nccs2)cc1C 13501700 ZUKUCBKFFSMFTF-UHFFFAOYSA-N 428.558 3.571 0 40 IHAB CCOc1ccc(-n2c(SCC(=O)Nc3nccs3)nnc2-c2cccnc2)cc1 13513186 MMBGBWPPVUCWJQ-UHFFFAOYSA-N 438.538 3.915 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCC3)c2)cc1Cl 13568852 CIKZMZWXZRBDEE-UHFFFAOYSA-N 438.933 3.784 0 40 IHAB CC[C@@H](C)[C@H](NC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)C(=O)O 13591174 AYDBAGADUPMODO-IERDGZPVSA-N 445.510 3.881 0 40 IHAB Cc1cccc(CNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)c1 13648717 QTJBQEYBXJBAKT-UHFFFAOYSA-N 434.867 3.750 0 40 IHAB COc1ccc(S(=O)(=O)NCCCc2ccc(C)cc2)cc1C(=O)N1CCC(C)CC1 13669550 VOKRUOHTCQTNMB-UHFFFAOYSA-N 444.597 3.787 0 40 IHAB CCOc1ccc(CNS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCCC3)c2)cc1 13670558 JUCUBLWHEXAEAA-UHFFFAOYSA-N 446.569 3.589 0 40 IHAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)C[C@H](C)O1 14429978 XHXITPYKOYXGCN-KBPBESRZSA-N 442.459 3.756 0 40 IHAB COc1cc(Cl)c(C)cc1NC(=O)CN1CCC(C(=O)Nc2ccccc2O)CC1 15045359 SYXZEBBNKMUFLZ-UHFFFAOYSA-N 431.920 3.652 0 40 IHAB COc1ccc([C@H]2CCCN2CC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)c(OC)c1 15518917 VUEVANXEHIYCHN-OAQYLSRUSA-N 439.556 3.521 0 40 IHAB Cc1ccccc1-n1nc(C)c(CN2CCc3c(nc(-c4ccncc4)[nH]c3=O)C2)c1C 19237587 UJPDAECEYDDAIW-UHFFFAOYSA-N 426.524 3.501 0 40 IHAB CC(C)c1ncc(-c2ccccn2)c(-c2ccc(CNC(=O)[C@@H](C)N3CCOCC3)cc2)n1 19453899 OVFIQVHKQMVDMY-LJQANCHMSA-N 445.567 3.666 0 40 IHAB C=Cn1ncc(CN2CCC(C[C@@H]3CC(c4cccc(F)c4)=NO3)(C(=O)O)CC2)c1C 19554333 CHGQEEDTVJNRTL-FQEVSTJZSA-N 426.492 3.681 0 40 IHAB CCc1nnsc1C(=O)N1CCC[C@H](c2nc(N(C)C)ncc2-c2ccc(F)cc2)C1 19694272 KBBQQXIEKSJUOM-HNNXBMFYSA-N 440.548 3.782 0 40 IHAB CN(C)c1ncc(-c2ccc(F)cc2)c(C2CCN(C(=O)c3n[nH]c4c3CCCC4)CC2)n1 19695135 JPFAEGMSAGQGMT-UHFFFAOYSA-N 448.546 3.970 0 40 IHAB CNc1cc([C@@H]2CC(=O)N(C)C2)nc(C2CCN(C(=O)c3cc4cc(C)ccc4o3)CC2)n1 19697317 QBTYLDXCLLVKER-GOSISDBHSA-N 447.539 3.538 0 40 IHAB COc1cccc(CN2C(=O)CCc3c(C)nc([C@H]4CCCN(C(=O)C5CCC5)C4)nc32)c1 19703441 QVJWSFKOLYNYBZ-FQEVSTJZSA-N 448.567 3.779 0 40 IHAB CCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(OC)c(C)c1 19929710 UJTZDLYQJSTVBB-UHFFFAOYSA-N 431.341 3.960 0 40 IHAB CCN(CC(=O)N[C@@H](C)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930374 FHWVZVPPNPQVKG-ZDUSSCGKSA-N 445.368 3.890 0 40 IHAB CCc1nn2c(nnc3c(=O)n(-c4ccc(NC(C)=O)cc4)ccc32)c1-c1ccc(F)cc1 19962738 KAOHVBDGGSMCNU-UHFFFAOYSA-N 442.454 3.755 0 40 IHAB O=C(CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)NCc1ccc(F)cc1 20024074 PWLLXUXDUBUDNC-UHFFFAOYSA-N 426.513 3.553 0 40 IHAB Cc1noc(C)c1COc1cccc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)c1 22687148 SPJAFOUSYIORES-HSZRJFAPSA-N 435.524 3.501 0 40 IHAB C[C@@H](C(=O)N[C@H](C)c1ccccc1)N1CCN(Cc2ccc(Br)s2)CC1 22930674 HODJKOCWVNLJJR-CVEARBPZSA-N 436.419 3.894 0 40 IHAB O=C(Cc1cc(O)nc(SCc2ccccc2F)n1)N1CCN(c2ccccc2)CC1 23138338 SPOPJVHYNFAZFE-UHFFFAOYSA-N 438.528 3.505 0 40 IHAB COc1ccc(-c2nn(CN3CCN(CCOc4ccccc4)CC3)c(=S)o2)cc1 23257439 UBHYXKZCJVAWAI-UHFFFAOYSA-N 426.542 3.535 0 40 IHAB CCc1sc2nc(SCCN3CCOCC3)n(-c3cccc(OC)c3)c(=O)c2c1C 23880935 GZMJXKMXZURRJZ-UHFFFAOYSA-N 445.610 3.751 0 40 IHAB Cc1noc(C)c1COc1cccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 23883106 JCYOBXYLAGLWSQ-UHFFFAOYSA-N 449.507 3.557 0 40 IHAB O=C(Nc1c(F)cccc1F)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 24607188 GAAHVTGSJMPUGS-UHFFFAOYSA-N 428.888 3.799 0 40 IHAB O[C@@H](COc1ccccc1Br)CN1CCN(Cc2ccc(Cl)cc2)CC1 26919813 LRYSLGRFHAALGU-GOSISDBHSA-N 439.781 3.660 0 40 IHAB CCOC(=O)c1sc(-c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)C1CCOCC1 29768559 WSCVCJYNLSAHEN-UHFFFAOYSA-N 449.525 3.983 0 40 IHAB O=C(Cc1cn2ccccc2n1)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 32033236 JDTCEUCCZRDJCC-UHFFFAOYSA-N 440.912 3.970 0 40 IHAB CCCS(=O)(=O)Nc1cccc(C(=O)NC[C@@H](c2cccc(OC)c2)N(CC)CC)c1 32314470 CRSWTQFIFYLLLH-QFIPXVFZSA-N 447.601 3.660 0 40 IHAB CCOC(=O)[C@@H]1CSCCN1C(=O)/C=C/c1cc(Cl)c(OC(C)C)c(OC)c1 32894261 ISGANNLMMMAZNN-MOEXGYKKSA-N 427.950 3.656 0 40 IHAB CCOc1nc2ccccc2nc1N1CCC(C(=O)Nc2ccc(OC)cc2OC)CC1 33088302 YPLFBXOVKNOBRG-UHFFFAOYSA-N 436.512 3.901 0 40 IHAB Cc1ccccc1CSc1nnc2n(C)c(=O)c3ccc(C(=O)NC4CCCC4)cc3n12 33256815 GNGUGRCTIMYNNI-UHFFFAOYSA-N 447.564 3.854 0 40 IHAB O=C1S/C(=C\c2ccc(I)cc2)C(=O)N1CN1CCCCC1 33394337 AEDPXMDDTQCFLU-UVTDQMKNSA-N 428.295 3.771 0 40 IHAB COc1ccc(C(=O)CSc2nnc3n2CCCN3C(=O)NC2CCCCC2)cc1 33660989 WLANLYXIRWOYHA-UHFFFAOYSA-N 429.546 3.514 0 40 IHAB COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)NCc2ccccc2)c(OC)c1 33767671 AVRNXAYFHJFLFS-RZFJZAQRSA-N 438.568 3.688 0 40 IHAB biogenic COc1cccc2cc(C(=O)NCC[C@H]3CCCCN3S(=O)(=O)c3cccs3)oc12 38934944 UWSAWNUSRNLLMC-MRXNPFEDSA-N 448.566 3.866 0 40 IHAB Cc1cc(=O)c(C(=O)Nc2cccc(OCCn3cccn3)c2)nn1-c1ccccc1Cl 40134875 WKBYFXLWNWZRNA-UHFFFAOYSA-N 449.898 3.722 0 40 IHAB CSCC[C@H](NC(=O)CCn1ccc2cc(OCc3ccccc3)ccc21)C(=O)O 40310020 LXWDRKPBEUZCAF-FQEVSTJZSA-N 426.538 3.933 0 40 IHAB biogenic Cc1ccccc1C(=O)NC1CCN(Cn2c(=O)oc3cc(Br)ccc32)CC1 48289230 CQVIHJJEGZXUIT-UHFFFAOYSA-N 444.329 3.517 0 40 IHAB O=C1C(=O)N(CN(Cc2ccccc2C(F)(F)F)C2CC2)c2cc3c(cc21)OCCO3 48340474 FXTKQSIKLJZJIQ-UHFFFAOYSA-N 432.398 3.628 0 40 IHAB CCOc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3C)nc3[nH]ncc3c2=O)cc1 51316440 VCRKQMZHVHQWLP-UHFFFAOYSA-N 449.536 3.855 0 40 IHAB Cc1ccc(C)n1-c1c(C(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)cnn1C 58014424 PMHZDZZKYTXZMX-UHFFFAOYSA-N 425.964 3.829 0 40 IHAB O=C(NCc1cccnc1-n1cncn1)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 58086254 LCKPSJRSCJNTBW-UHFFFAOYSA-N 445.449 3.993 0 40 IHAB CC(=O)[C@@H]1CC(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)=NN1c1ccccc1 58201813 LQOXOKQAMOUZIA-IBGZPJMESA-N 448.504 3.744 0 40 IHAB Cc1ccc(N(CC(=O)NCCOc2ccccc2)S(=O)(=O)c2ccccc2)cc1C 59372522 UQZZKTXSNOCFFH-UHFFFAOYSA-N 438.549 3.694 0 40 IHAB Cc1ccc(N2CCN(C[C@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@H](O)[C@H]34)CC2)cc1C 61997550 ZZSQDHGSNRGFRY-IGKJQPKHSA-N 438.612 3.710 0 40 IHAB Cc1ccc(CNC(=O)Cn2nnc(C(=O)Nc3cc(Cl)ccc3Cl)c2C)cc1 71327250 HVIRAYWAQMFYIW-UHFFFAOYSA-N 432.311 3.770 0 40 IHAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)CCc1cn(C)nc1C)CC2 72285391 AFBULGBWWDQPOL-QHCPKHFHSA-N 425.554 3.914 0 40 IHAB CCn1ncc(CN2CCC[C@@H]([C@H](NC(=O)c3ccccc3OC)c3ccccn3)C2)c1C 72330541 ZMWMGFAFRVEDCI-NLFFAJNJSA-N 447.583 3.998 0 40 IHAB CN(C)S(=O)(=O)N1CCC(c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)CC1 72349324 OFHKNTDQBQPETO-UHFFFAOYSA-N 427.492 3.677 0 40 IHAB Cc1ncsc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCN2CCCCCC2)CC1 72354287 HPHBSRPHPLPBEU-NRFANRHFSA-N 446.661 3.951 0 40 IHAB CCn1nnc2cc(C(=O)Nc3cccc(-n4ncc(C(=O)O)c4C(F)(F)F)c3)ccc21 95425198 LWEINPQXMQYCJR-UHFFFAOYSA-N 444.373 3.606 0 40 IHAB O[C@@H](CNc1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c12)c1ccco1 95949195 URZRNMFQQSJAAI-SFHVURJKSA-N 436.537 3.929 0 40 IHAB Cc1ccoc1C(=O)NCCN1C(=O)S/C(=C/c2cccc(Br)c2)C1=O 96920853 RWOWBKBUOYTNQY-GXDHUFHOSA-N 435.299 3.817 0 40 IHAB O=C(NCCn1ncc(-c2cnccn2)c1-c1cccs1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 100743523 WPZFNGQQXXBKQX-WADIDORASA-N 449.580 3.516 0 40 IHAB Cc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@H]32)c(Cl)c1 101352881 CZKFXHKVOMZBCH-MSOLQXFVSA-N 446.294 3.542 0 40 IHAB Cc1ccc(N([C@@H](C)C(=O)NCCCc2ccc(F)cc2)S(C)(=O)=O)cc1Cl 220368055 VXLBXPVMPYRIIC-HNNXBMFYSA-N 426.941 3.691 0 40 IHAB CC[C@H](C(=O)NCCc1ccccc1)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 220698729 DYJMZCRFGDQSBG-GOSISDBHSA-N 429.369 3.897 0 40 IHAB COc1ccc(C(=O)N2c3ccccc3C[C@H]2C)cc1S(=O)(=O)NCc1ccccc1 222906649 CPSKTZHXSZELEU-QGZVFWFLSA-N 436.533 3.765 0 40 IHAB CC(C)Oc1ccc(N(CC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)cc1 223211855 SYAKPUZHBNFNSG-KRWDZBQOSA-N 430.570 3.606 0 40 IHAB COc1ccc(CN(C(C)=O)[C@@H](Cc2ccccc2)C(=O)NCCCOC(C)C)cc1 223260937 INLSOOKBFCQQOR-DEOSSOPVSA-N 426.557 3.586 0 40 IHAB CCN(c1ccc(C(=O)NCCc2ccc(OC)cc2)cc1)S(=O)(=O)c1ccccc1 224356868 WYCJQWRUFUQNQG-UHFFFAOYSA-N 438.549 3.883 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)N[C@H](C)CCc1ccccc1 224393003 WJHWLQKYMNHQKA-LJQANCHMSA-N 444.597 3.550 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCC1CCCCC1)c1ccc(Br)cc1F 224894755 ZKTKUIGETMJEEC-UHFFFAOYSA-N 449.386 3.831 0 40 IHAB CS(=O)(=O)N(CC(=O)NCCSC1CCCC1)c1cc(Cl)cc(Cl)c1 225286671 SORGTUCYHOWQJA-UHFFFAOYSA-N 425.403 3.551 0 40 IHAB CCOc1ccc(N(CCCC(=O)N[C@@H](C)c2ccccc2OC)S(C)(=O)=O)cc1 225293503 PQNGWBPUXWZANT-KRWDZBQOSA-N 434.558 3.518 0 40 IHAB Cc1cc(C(=O)N2CCOC[C@@H](Cc3cccc4occc34)C2)nc(N2CCCCC2)n1 257280030 OJDXUUFTABEISH-IBGZPJMESA-N 434.540 3.853 0 40 IHAB Cc1nc([C@H]2CCN(C(=O)CC3CCCC3)C2)nc2c1CC(=O)N2Cc1ccccc1F 257289960 QAXPLWNFNMARQN-IBGZPJMESA-N 436.531 3.910 0 40 IHAB COc1ccc(CC(=O)N2CCC(c3n[nH]cc3C(=O)N3[C@@H](C)CCC[C@H]3C)CC2)cc1 257293897 QRQNSAOQFQGBIB-HDICACEKSA-N 438.572 3.770 0 40 IHAB CNC(=O)c1sc2nc([C@H]3CCCCN3C(=O)Cc3ccc(F)cc3)ccc2c1N 257317060 VIEKGYVHQPPHQQ-QGZVFWFLSA-N 426.517 3.674 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCC(C)C)cc2)cc1Cl 408554421 RXODZOUFEAMSJQ-UHFFFAOYSA-N 440.949 3.691 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3c(C)cccc3CC)C2)cc1 408559862 ZMCCNSNSGKKRKQ-LJQANCHMSA-N 430.570 3.996 0 40 IHAB CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1Cl 408560846 FHFVUSHAOXFMJT-HNNXBMFYSA-N 436.961 3.775 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1C(=O)N1CCOCC1 408608639 RRDUILDYRPHISE-UHFFFAOYSA-N 429.325 3.575 0 40 IHAB Cc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1OCC(=O)N1CCCCC1 408635990 NKTBFOPCQLBRHJ-UHFFFAOYSA-N 428.554 3.528 0 40 IHAB CCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc(Cl)c2)cc1 408660716 CDWUJROSRRKZSV-UHFFFAOYSA-N 446.887 3.807 0 40 IHAB COC(=O)CN1C(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)c(Cl)c2)N(C)C1=S 409215020 ZFXIIGDASANKHO-YVLHZVERSA-N 448.903 3.631 0 40 IHAB Cc1c(NS(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)cccc1-n1cnnc1O 555130139 XIDRCMPLCGSLAM-UHFFFAOYSA-N 432.811 3.754 0 40 IHAB CN(CCCN(C)C(=O)[C@H]1CCC(=O)c2ccccc21)C(=O)[C@H]1CCC(=O)c2ccccc21 559547895 SHDRLLJRDSHEPV-GOTSBHOMSA-N 446.547 3.814 0 40 IHAB CSCC[C@@H](NC(=O)CC1(n2cccc2)CCOCC1)c1nc2ccccc2n1C 575443348 OMZFFSMGPGPPEQ-LJQANCHMSA-N 426.586 3.881 0 40 IHAB O=C(CN1CCC(O)(COc2ccc(Cl)c(Cl)c2)CC1)NCc1ccc(F)cc1 585274160 SXISHKACHATSQT-UHFFFAOYSA-N 441.330 3.655 0 40 IHAB CN1CCOc2ccccc2CCCC[C@]2(CCCN(C(=O)c3cncs3)C2)C1=O 643561249 CSKZLLPUVSWALC-HSZRJFAPSA-N 427.570 3.629 0 40 IHAB COc1cc(C(=O)N2CCC3(CCCCc4ccccc4OCCOC3=O)CC2)ccn1 643574045 ZGKYGIJXEXLIOA-UHFFFAOYSA-N 438.524 3.661 0 40 IHAB CC(C)NC(=O)N1C[C@H]2CC[C@H](CNC(=O)[C@H]3CC[C@H](C)CC3)N2Cc2ccccc21 1565556401 GRCWHFOHAIHMDM-UGESXGAOSA-N 426.605 3.900 0 40 IHAB Cn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1cccc2ccccc12 642339 KUHOPJSBKKZXJP-UHFFFAOYSA-N 449.511 3.768 0 40 IHAB O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)Nc1cccnc1 656148 SKNKXOGORHSSDL-UHFFFAOYSA-N 446.326 3.678 0 40 IHAB O=C1CCC(=O)N1c1nc2n(n1)[C@@H](c1ccc(F)cc1)C[C@@H](c1ccc(Cl)cc1)N2 2407052 YPYGXEZQTLACRU-DLBZAZTESA-N 425.851 3.870 0 40 IHAB Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)OCC(=O)N4CCCCCC4)cc3C2=O)c1 3296069 XFTSWQMJYPPLNM-UHFFFAOYSA-N 434.492 3.663 0 40 IHAB O=C(OCCOc1ccc(Br)cc1)c1ccc(S(=O)(=O)C(F)F)cc1 3381143 YRCYKMNYLOPQJM-UHFFFAOYSA-N 435.242 3.681 0 40 IHAB Cc1nn(C)c(C)c1NC(=O)[C@H](C)Sc1nnc(N2CCCCC2)n1-c1ccccc1 8711000 XFQOFQYLSMNBPF-KRWDZBQOSA-N 439.589 3.727 0 40 IHAB O=C(NCCc1c[nH]c2ccccc12)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 8987434 JHFJSUJQXMPJDY-UHFFFAOYSA-N 425.554 3.705 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1C(=O)N1CCCC1 9094991 PCUIKKQFIHRASV-UHFFFAOYSA-N 442.581 3.575 0 40 IHAB COc1cc(/C=C/C(=O)NC(=S)N2CCCC[C@H]2c2cccnc2)cc(OC)c1OC 9108803 SFPOCKXWIAAXEK-BBVFFXRHSA-N 441.553 3.749 0 40 IHAB biogenic COc1ccc(CCNC(=O)[C@H]2CCc3sc(NC(=O)c4ccc(F)cc4)nc32)cc1 9131546 IESVLNKTSLGBTI-SFHVURJKSA-N 439.512 3.932 0 40 IHAB CCOC(=O)c1c(CC(C)C)csc1NC(=O)CSc1nnc2nc(C)cc(C)n12 9254122 HQOUCAIINSJXFA-UHFFFAOYSA-N 447.586 3.909 0 40 IHAB O=C(COC(=O)c1ccc(NC(=O)c2cc(=O)[nH]c3ccccc23)cc1)c1ccccc1 9310097 ARVDZHSRAAGBMH-UHFFFAOYSA-N 426.428 3.820 0 40 IHAB CCCCOc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccccc4)ccn3n2)cc1 9319730 DMGDZNRAGGEFOC-UHFFFAOYSA-N 430.508 3.658 0 40 IHAB Cc1ccc(-n2ncc3c(=O)n(CC(=O)Nc4ccccc4C(F)(F)F)cnc32)cc1C 9416547 ZXOPXQAOUJFVIF-UHFFFAOYSA-N 441.413 3.857 0 40 IHAB Cc1ccc2c(c1)s/c(=N/C(=O)c1ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc1)n2C 9445281 IRIWLXHPDPIDTH-PXFSWQRTSA-N 443.594 3.710 0 40 IHAB COc1cc(C(=O)NCc2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(F)cc1 9507618 YQHHLNZQQULJRB-UHFFFAOYSA-N 426.419 3.921 0 40 IHAB Cn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccc(Oc2ccccc2)cc1 9514836 AUVKAAAXKQEWKC-UHFFFAOYSA-N 425.510 3.854 0 40 IHAB CCOc1ccc(-n2nnnc2CNC(=O)CC(c2ccccc2)c2ccccc2)cc1 9570526 QQCYSXLNUYSPDX-UHFFFAOYSA-N 427.508 3.899 0 40 IHAB O=C(Cn1c(-c2cscn2)nc2ccccc21)Nc1cccc(-c2nnnn2C2CC2)c1 9679307 OENXHQSMKKHAOH-UHFFFAOYSA-N 442.508 3.787 0 40 IHAB Cn1c(SCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)nnc1-c1ccccc1 9782957 GOTXORFNALQZGQ-GOSISDBHSA-N 436.537 3.709 0 40 IHAB CCOc1ccc(Br)cc1CNc1ccc(N2CCOCC2)c(C(=O)O)c1 9891868 BVXLLCXBTZMBEZ-UHFFFAOYSA-N 435.318 3.995 0 40 IHAB O=C(c1cccc(S(=O)(=O)NCc2ccccc2)c1)N1CCC[C@H](C(F)(F)F)C1 10290838 XDFDAVZFNOYQLE-KRWDZBQOSA-N 426.460 3.580 0 40 IHAB CC(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)cc1 10985400 GNUIEYBXLWFMBE-UHFFFAOYSA-N 444.582 3.836 0 40 IHAB Cc1c(Cl)cccc1NC(=O)[C@@H](C)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 11073832 ASVSFFBKFRLWFC-GOEBONIOSA-N 442.947 3.671 0 40 IHAB COCCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nc2c(c1=O)S[C@H](C)C2 11726546 AOERWNGFAGFPGO-OAHLLOKOSA-N 433.599 3.582 0 40 IHAB Cc1nc2scc(-c3cccc(NC(=O)COc4ccc5c(c4)OCO5)c3)n2c(=O)c1C 11773099 OQGKMOJFOYCMOU-UHFFFAOYSA-N 449.488 3.786 0 40 IHAB NC(=O)c1cc(-c2ccccc2)sc1NC(=O)CCCS(=O)(=O)c1ccc(F)cc1 12232708 SKYWAKVRXSVACS-UHFFFAOYSA-N 446.525 3.846 0 40 IHAB CC1(C)Cc2nc(-c3cnccn3)ncc2[C@@H](NC(=O)Cc2ccc3c(c2)CCCO3)C1 12239075 UYZFIIVZGPNRSN-IBGZPJMESA-N 429.524 3.631 0 40 IHAB COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=S)N[C@@H]1c1cc(OC)c(OC)c(OC)c1 12557855 DFSXBBGSDXWOTP-HXUWFJFHSA-N 442.537 3.904 0 40 IHAB COc1ccc(OC)c([C@@H](C)NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)c1 12760190 GZQBJUXSTPQJNM-CYBMUJFWSA-N 441.553 3.691 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc3c(c2)OCCCO3)cc1 12761184 ABYHNMCOFPXFEE-NTUHNPAUSA-N 430.526 3.530 0 40 IHAB CCOc1ccc(C(=O)N[C@@H](C(=O)NC[C@@H](c2ccccc2Cl)N(C)C)C(C)C)cc1 12801577 GUBGSSBTGVNDMV-FCHUYYIVSA-N 445.991 3.912 0 40 IHAB CCCCN(Cn1nc(-c2ccc(Cl)cc2)n(C)c1=S)[C@@H]1CCS(=O)(=O)C1 12933479 QNWYIWWZYGXFMT-MRXNPFEDSA-N 429.011 3.518 0 40 IHAB COc1ccccc1[C@H](c1nnnn1C(C)(C)C)N1CCN(c2cccc(C)c2C)CC1 13504000 QXCDVHTULCCCOM-HSZRJFAPSA-N 434.588 3.965 0 40 IHAB COC(=O)C1=C(C)N=c2s/c(=C/C=C/c3ccccc3)c(=O)n2[C@@H]1/C=C/c1ccccc1 13739170 KTENBXQFCAFJKA-ZGWGENLKSA-N 442.540 3.738 0 40 IHAB CC(=O)N(c1ccc(F)cc1)C1CCN([C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)CC1 14010941 SJZWEMSZJZETBY-NRFANRHFSA-N 443.906 3.629 0 40 IHAB O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)N(Cc1ccccc1)Cc1ccco1 14230203 STABJOMBVGYWEJ-AREMUKBSSA-N 443.503 3.592 0 40 IHAB CS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3ccc(Br)cc3)cc2)nn1 16975153 HBKDZJJJBRXPLO-UHFFFAOYSA-N 432.299 3.562 0 40 IHAB Cc1cc(NC(=O)c2cccs2)n(-c2nc(O)c3cnn(-c4cccc(C)c4C)c3n2)n1 17135731 XGEKRGWXWFLOGH-UHFFFAOYSA-N 445.508 3.946 0 40 IHAB CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)C3=Cc4cc(Cl)ccc4OC3)ccc21 17735980 UTHVUDQSZLHRQW-ZDUSSCGKSA-N 425.868 3.839 0 40 IHAB COc1cccc([C@@H]2[C@@H]3C(=O)N(c4cccc(OC)c4)C(=O)[C@H]3ON2c2ccccc2)c1 18066568 NWCVKNREMOYHHI-ZRBLBEILSA-N 430.460 3.755 0 40 IHAB CNC(=O)[C@]1(Cc2ccccc2-c2cccc(C)c2)CCN(C(=O)Cc2ccccn2)C1 19235487 MXXOSAMOKCYTNE-MHZLTWQESA-N 427.548 3.807 0 40 IHAB CCCN1CCN(C(=O)c2ccnn2C)C[C@H](Cc2cccc(-c3ccccc3)c2)C1=O 19503010 UWDDDCOUHQBKBJ-QHCPKHFHSA-N 430.552 3.640 0 40 IHAB CCN1CCN(C(=O)c2snnc2C)C[C@H](Cc2cccc(-c3ccccc3C)c2)C1=O 19527523 ZLBCSKNUROZHBH-NRFANRHFSA-N 448.592 3.985 0 40 IHAB COc1ccccc1CN(C)Cc1nc(C)c2c(n1)N(CCc1ccccc1)C(=O)CC2 19698607 RVCSNYNCTGVJJO-UHFFFAOYSA-N 430.552 3.948 0 40 IHAB O=C(NC1CCCC1)c1ccc([C@H]2CCCN(C(=O)COc3ccccc3F)C2)nc1 19754503 KOJCTBCLMFLZKR-SFHVURJKSA-N 425.504 3.678 0 40 IHAB COc1cccc(CNC(=O)c2cnc([C@H]3CCCN(C(=O)C4CCCC4)C3)nc2C)c1 19763412 UVTLJEKOGAULGT-FQEVSTJZSA-N 436.556 3.620 0 40 IHAB Cc1nc([C@@H]2CCCCN2Cc2ccc(Oc3ncccn3)cc2)ncc1C(=O)N(C)C 19764997 IFUHAORVWIJULQ-NRFANRHFSA-N 432.528 3.796 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(F)c(F)c3)C2)cc1C 20017384 FHJRSQLHYWVFNT-HNNXBMFYSA-N 438.496 3.711 0 40 IHAB CCc1nn2c(=O)cc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)nc2s1 20962101 OAVYYVIGYNIKKK-UHFFFAOYSA-N 445.592 3.621 0 40 IHAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cc(Cl)c2c(c1)OCCCO2 21581014 OAZHKDCOPOKRIR-UHFFFAOYSA-N 432.904 3.733 0 40 IHAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 22328961 LIFRRFHCGBEXPV-LJQANCHMSA-N 430.570 3.796 0 40 IHAB Cc1noc(C)c1CN(CCC1=CCCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 25075754 DINJZLRQVDMLFX-UHFFFAOYSA-N 449.555 3.669 0 40 IHAB Cc1nc(-c2ccc(CCNC(=O)[C@H]3CCCN(C(=O)c4ccco4)C3)s2)cs1 25322469 XFHGBFMVCZJIRR-HNNXBMFYSA-N 429.567 3.984 0 40 IHAB CN(C)C(=O)COc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)cc1 29231083 BMGSZFUAURIIIV-QHCPKHFHSA-N 444.487 3.860 0 40 IHAB c1ccc(-n2c(SCc3noc(-c4cccs4)n3)nnc2N2CCOCC2)cc1 30517989 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40 IHAB COc1ccc(-c2nc(C(=O)NC[C@H](c3ccc(C)cc3)N3CCOCC3)cs2)cc1 40156863 MCWYLYDYUPJZEJ-JOCHJYFZSA-N 437.565 3.930 0 40 IHAB C[C@@H](Oc1ccc(C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)cn1)c1ccccc1 59402931 UWHBUTFETLWXKI-MRXNPFEDSA-N 430.464 3.526 0 40 IHAB CCn1nc(C)c2nc(SCC(=O)Nc3cccc(C)c3)n(Cc3ccco3)c(=O)c21 64817475 WIACKCSZUDIIKS-UHFFFAOYSA-N 437.525 3.602 0 40 IHAB O=C(Nc1ccnc(Sc2ccccn2)c1)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 70010166 QYEDNVIPLCNBSM-ZDUSSCGKSA-N 426.448 3.898 0 40 IHAB Cc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cnc1N1CCCCC1 95986356 VKJKFUDFRSSWIS-UHFFFAOYSA-N 442.585 3.807 0 40 IHAB CC(=O)[C@@H](C(=O)CCSCCO)[C@H](SCCO)c1ccc(Cl)c(Cl)c1 100917800 OERFCFONDQCMFC-DLBZAZTESA-N 425.399 3.650 0 40 IHAB CCOC(=O)c1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccccc4)[C@H]3C2=O)cc1 101129966 DMTOWFDANFMRDL-ZLNRFVROSA-N 442.471 3.914 0 40 IHAB CC(C)n1c(Cc2ccc3c(c2)OCCCO3)nnc1SCC(=O)NC1CCCC1 101160560 FDASMTAUALVWMX-UHFFFAOYSA-N 430.574 3.762 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2OC)c2ccc(F)cc2)cc1 113936837 VYSJXMFXPHZOON-UHFFFAOYSA-N 444.484 3.677 0 40 IHAB CC[C@H](C(=O)NCc1ccc(F)cc1)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 220705987 HZYNEKGSELWTKL-QGZVFWFLSA-N 433.332 3.994 0 40 IHAB CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CCc1ccc2c(c1)OCCO2 223146791 ZVVXQRXKROKZRY-LJQANCHMSA-N 430.932 3.597 0 40 IHAB CCCOc1ccccc1CCCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CC 224462502 OKUMSXAHKHXLRG-UHFFFAOYSA-N 430.570 3.686 0 40 IHAB CC[C@@H](NC(=O)[C@@H](CC)N(c1ccc(OC)cc1)S(C)(=O)=O)c1ccc(OC)c(C)c1 224553628 VSYVPLRUXCAUKQ-NHCUHLMSSA-N 448.585 3.824 0 40 IHAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2cccc(N3CCCC3=O)c2)c1 224898005 BAWMFMASISKBOF-KQWNVCNZSA-N 443.503 3.802 0 40 IHAB CC[C@@H](NS(=O)(=O)c1nnc(NC(=O)c2cccc(C)c2)s1)c1ccccc1C 225432678 RSLCXGAFOHOUFE-QGZVFWFLSA-N 430.555 3.837 0 40 IHAB Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC[C@H]4C)nc(O)c32)c(Cl)c1 253570904 OFTKXXQZAMJWCZ-OLZOCXBDSA-N 429.908 3.587 0 40 IHAB Cc1ccc(Nc2ncc(C(=O)N(CC(=O)O)Cc3cc(F)cc(F)c3)c(C)n2)cc1 257272882 NEFGHQRBXHMCOG-UHFFFAOYSA-N 426.423 3.842 0 40 IHAB Cn1cc(CC(=O)N2C[C@@H](c3ccc(F)cc3)[C@@]3(CCCCC(=O)N3)C2)c2ccccc21 257302586 SDMHCPSLGRCHAH-BKMJKUGQSA-N 433.527 3.915 0 40 IHAB COc1ccc(C)cc1N([C@H](C)C(=O)N[C@H](C)c1cc(C)c(C)cc1C)S(C)(=O)=O 260912092 AHGSWWPJRYMMDR-RTBURBONSA-N 432.586 3.961 0 40 IHAB CCOC(=O)COc1ccc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)cc1OC 408633740 LWSHTXIORQQSBE-WQRHYEAKSA-N 428.466 3.731 0 40 IHAB CCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(CC)cc2)cc1 408662479 IXBFNUJEVJDHJP-UHFFFAOYSA-N 440.496 3.716 0 40 IHAB COc1ccc(OC)c(NC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H]([C@@H]6C[C@@H]56)[C@H]4C3=O)cc2)c1 408673730 UMURVGJWRQOQKY-HAGYDGCBSA-N 444.487 3.514 0 40 IHAB Cc1cc(C)cc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)c1 409134560 SDASBMLOPZUVGV-OAHLLOKOSA-N 445.313 3.601 0 40 IHAB Cc1oc(-c2ccsc2)nc1CC(=O)N[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 500547281 DAPJKPQQSGINDP-ZDUSSCGKSA-N 433.892 3.968 0 40 IHAB O=C(N[C@H]1CCc2ccc(-c3ccccc3)cc21)c1cnc2c(c1)c(O)nc(=O)n2C1CC1 548643395 AWAUMJLFPZISEU-QFIPXVFZSA-N 438.487 3.916 0 40 IHAB Cc1c(NC(=O)N[C@@H](c2ccc(F)cc2)c2nccn2C)nnn1Cc1ccccc1F 554998095 NMKKTHREAQBGPC-IBGZPJMESA-N 437.454 3.558 0 40 IHAB CC(C)n1cc(C2=CCCN([C@H]3CCCN(Cc4ccc(F)cc4F)C3=O)CC2)nn1 1645837859 AZPPAUPLNCORFJ-QFIPXVFZSA-N 429.515 3.808 0 40 IHAB COc1cc([C@](O)(CCN2CCCCC2)c2ccc3c(c2)OCO3)cc(OC)c1OC 2048275 MHJLLVYDIAGTRN-DEOSSOPVSA-N 429.513 3.553 0 40 IHAB Cc1c(C)c2ccc(OCC(=O)N[C@@H](Cc3ccc(Cl)cc3)C(=O)O)c(C)c2oc1=O 2114207 DAUZKCMABFABJP-SFHVURJKSA-N 443.883 3.563 0 40 IHAB biogenic CC1(C)c2ccccc2N2CC(=O)N(CC(=O)Nc3ccc(Br)cc3)[C@@]21C 2440908 PWXGFGMQBAEHLJ-OAQYLSRUSA-N 428.330 3.744 0 40 IHAB CC(C)C[C@@H]1N=C2c3ccccc3N=C(SCc3cc(=O)n4ccccc4n3)N2C1=O 2964493 UZSMJMFOOYDFBZ-SFHVURJKSA-N 431.521 3.633 0 40 IHAB CCN(C(=O)COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccccc1 3394247 XHCNQEHEPPPLAE-UHFFFAOYSA-N 438.505 3.697 0 40 IHAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NCc1ccc(Cl)cc1Cl)C2=O 3404472 ISZLALJRMDNLJN-MPBGBICISA-N 426.344 3.746 0 40 IHAB Cc1nc(COC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)cs1 3407150 XBGCCSIYKDAPBP-UHFFFAOYSA-N 428.535 3.556 0 40 IHAB O=C(CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)Nc1c(Cl)cccc1Cl 3446238 YXWMPZRHYFVQPZ-INIZCTEOSA-N 431.279 3.576 0 40 IHAB O=S(=O)(Nc1nc2ccccc2nc1NCc1ccc2c(c1)OCO2)c1ccccc1 6142851 TUWUMSLUXOQVTJ-UHFFFAOYSA-N 434.477 3.771 0 40 IHAB C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)Nc1ccc(N3CCCCC3)cc1)C2=O 6249056 QQHDUVDCRPNDGZ-XDHUDOTRSA-N 426.561 3.752 0 40 IHAB COc1ccccc1NC(=O)C[C@H]1C(=O)Nc2ccccc2N1C(=O)c1ccccc1OC 8721761 CCIHUVXOMLWLAI-FQEVSTJZSA-N 445.475 3.700 0 40 IHAB COc1cccc(NC(=O)Cn2c3c(sc2=O)[C@H]2c4ccccc4OC[C@H]2CS3)c1 8752051 LNLQCSGDEHJTLP-ORAYPTAESA-N 440.546 3.803 0 40 IHAB CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)COc1ccc(Br)cc1 8767670 QOMIDYLSYMGXAO-UHFFFAOYSA-N 439.737 3.646 0 40 IHAB COc1ccc(-c2nn(CC(=O)Nc3ccc(F)cc3F)c(=O)c3nc(C)sc23)cc1 8955362 KSIGDBOHJOMRTR-UHFFFAOYSA-N 442.447 3.754 0 40 IHAB CC1(C)C[C@H]([C@@H](CCNC(=O)CN2C(=O)c3ccccc3C2=O)Cc2ccccc2)CCO1 9034114 FFFLGCIQNOKFSM-LEWJYISDSA-N 448.563 3.853 0 40 IHAB biogenic CCN(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cc(=O)oc2cc(C)c(Cl)cc12 9127899 CRTOTGPNEMVHGM-UHFFFAOYSA-N 442.899 3.987 0 40 IHAB CCOc1c(Cl)cc(C(=O)NCCc2cc(OC)c(OC)cc2C(C)=O)cc1OC 9187455 YOXUKTKXKNYGOQ-UHFFFAOYSA-N 435.904 3.940 0 40 IHAB COc1ccc2nc(NC(=O)[C@@H](NS(=O)(=O)/C=C/c3ccccc3)C(C)C)sc2c1 9316340 YCYYHTOFTPVCHL-CVTTXWKISA-N 445.566 3.858 0 40 IHAB CN(C(=O)c1ccccc1C(=O)OCC(=O)Nc1ccc2c(c1)OCO2)C1CCCCC1 9631069 MXFATDMPEUSCIS-UHFFFAOYSA-N 438.480 3.616 0 40 IHAB CCOc1ccc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1S(=O)(=O)N(CC)CC 9670842 MULLWGIVQFYURL-UHFFFAOYSA-N 435.546 3.516 0 40 IHAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)COC(=O)c1ccc(C2SCCS2)cc1 9793023 XWEQJGJEPXFZOF-UHFFFAOYSA-N 448.541 3.558 0 40 IHAB Cc1cccc(-n2c(SCC(=O)NC(=O)NC3CCCC3)nc3ccccc3c2=O)c1 9963728 ZNZHJYKGYIDAGJ-UHFFFAOYSA-N 436.537 3.555 0 40 IHAB COC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@H]1c1cc(C)c(O)c(C)c1 10353856 HWDRGFJDEYTVLI-FQEVSTJZSA-N 440.521 3.663 0 40 IHAB O=C(CCCNC(=O)C12CC3CC(CC(C3)C1)C2)NCc1ccc(N2CCCC2=O)cc1 10454989 ZKQMUHRBIYZIME-UHFFFAOYSA-N 437.584 3.542 0 40 IHAB CCOC(=O)Cc1csc(SCC(=O)Nc2cc3c(cc2Cl)OCCCO3)n1 11646095 FDLZAAWCRDETHC-UHFFFAOYSA-N 442.946 3.794 0 40 IHAB Cc1csc(SCc2c(C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)oc3ccccc23)n1 12568942 DQMCCRMNZBDXEM-CYBMUJFWSA-N 436.580 3.749 0 40 IHAB Cc1nc(SCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)n(C[C@H]2CCCO2)c1C 12603925 GIWTVJKGITURSE-CQSZACIVSA-N 425.457 3.731 0 40 IHAB Cc1cc(Cl)ccc1OCCCC(=O)Nc1nc2ccc(S(N)(=O)=O)cc2s1 12635550 GXIZTUHCTROXSR-UHFFFAOYSA-N 439.946 3.703 0 40 IHAB CCc1cccc(-n2c(SCC(=O)N(CC)C3=CCCC3)nnc2N2CCOCC2)c1 12643588 UKKJJXUQTNSUPN-UHFFFAOYSA-N 441.601 3.675 0 40 IHAB O=C(/C=C/c1cnn(Cc2ccccc2)c1)N1CCN(Cc2nc3ccccc3s2)CC1 12680491 LSMWLZMMEGGEQG-ZHACJKMWSA-N 443.576 3.899 0 40 IHAB CC(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2-c2ccc(CN(C)C)cc2)cc1 12741008 QJWWEUQXOIGXJI-UHFFFAOYSA-N 437.565 3.852 0 40 IHAB COc1ccc([C@H]2CCCN2S(=O)(=O)c2cccc(Br)c2)c(OC)c1 12751954 ASGWLBYNWXFGIN-QGZVFWFLSA-N 426.332 3.992 0 40 IHAB CC(=O)c1oc2ccccc2c1NC(=O)CSc1nnc(NC[C@@H]2CCCO2)s1 13163328 QWOBYFIOFGMOAH-LBPRGKRZSA-N 432.527 3.809 0 40 IHAB O=C(COC(=O)c1cccnc1S[C@H]1CC(=O)N(c2ccccc2)C1=O)c1ccccc1 13579086 OJEZZISCWMJGFV-FQEVSTJZSA-N 446.484 3.546 0 40 IHAB CC1(C)Cc2sc3c(=O)n(-c4ccccc4)c(=O)n(CCN4CCCCC4)c3c2CO1 13609391 JZYUGJNMFDOYIM-UHFFFAOYSA-N 439.581 3.551 0 40 IHAB O=S1(=O)c2ccccc2[C@@H](O)[C@@H](Cc2c(F)cccc2Cl)N1Cc1cccnc1 13690274 BYYBMMMYSVDTPP-TZIWHRDSSA-N 432.904 3.723 0 40 IHAB O=C(CSc1nncn1C1CC1)NCc1cn(-c2ccccc2)nc1-c1ccccc1 14308402 LVUOUSSMGISXOB-UHFFFAOYSA-N 430.537 3.874 0 40 IHAB CN(C)S(=O)(=O)c1cc(NCC(=O)Nc2cccc(C(F)(F)F)c2)ccc1Cl 14358407 LJOVILWSCLXAPA-UHFFFAOYSA-N 435.855 3.660 0 40 IHAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ncc(Cl)c(Cl)c1Cl 14697442 SLOWSFINVWYJLJ-UHFFFAOYSA-N 438.720 3.553 0 40 IHAB COc1cc(C[C@H]2CC(CNCCc3ccc(Cl)cc3)=NO2)c(OC)c2c1OCO2 15081394 UNBXFNZBWGRPDV-SFHVURJKSA-N 432.904 3.606 0 40 IHAB CN(Cc1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(Br)cc1Cl 16086653 XEMVWJPGJKWGJY-UHFFFAOYSA-N 432.723 3.694 0 40 IHAB COc1ccccc1NC(=O)CCc1csc(NS(=O)(=O)c2ccc(F)cc2)n1 16848478 KWEOJHINVLNFGY-UHFFFAOYSA-N 435.502 3.663 0 40 IHAB CC1CCN(C(=O)Cn2c([C@@H]3CC(=O)N(Cc4ccc(F)cc4)C3)nc3ccccc32)CC1 16902588 ZCHCTMBULVAMOO-HXUWFJFHSA-N 448.542 3.950 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2ccco2)CCC3)cc1OC 16960040 GSVZGCQNBGBTPY-UHFFFAOYSA-N 442.493 3.691 0 40 IHAB COc1ccc(C(=O)NCCSc2ccc(Br)cc2)c(OC)c1OC 18075782 IAGMSKCKPRWMRB-UHFFFAOYSA-N 426.332 3.997 0 40 IHAB O=C(CN1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(F)cc1)CN2C(=O)c1ccccc1)N1CCCCC1 19368932 NLSKQSLQINQBHW-UBFVSLLYSA-N 449.570 3.768 0 40 IHAB CCNC(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCN(Cc2c(C)nn(C)c2OC)C1 19529126 PIVAYBHTRIEVOW-HHHXNRCGSA-N 446.595 3.975 0 40 IHAB Cc1c(C(=O)N2CCC[C@H](c3cc(O)nc(C4CCN(C)CC4)n3)C2)c2ccccc2n1C 19581728 ILNFBJFQCIMJKT-IBGZPJMESA-N 447.583 3.811 0 40 IHAB CC(=O)N[C@H]1C[C@@H](CCNC(=O)c2cccc(N(C)C)c2)O[C@@H](c2cc(F)cc(F)c2)C1 19712434 NJVBBQOMVOJCEO-MDNUFGMLSA-N 445.510 3.576 0 40 IHAB Cc1noc(C)c1CC(=O)N1CCC([C@@H]2CCCCN(CCc3ccccc3)C2=O)CC1 19744948 PCJRQEGULCQERV-QHCPKHFHSA-N 437.584 3.944 0 40 IHAB Cc1nc([C@@H]2CCCCN2C(=O)c2ccccn2)ncc1C(=O)NCc1ccc(F)cc1 19764939 YXVCYESVFJKZQH-NRFANRHFSA-N 433.487 3.617 0 40 IHAB O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)N[C@@H]1CCCc2ccccc21 20018765 IWTUQSFCVZCLDB-HSZRJFAPSA-N 442.581 3.870 0 40 IHAB NC(=O)C1CCN(C(=O)[C@@H]2c3ccccc3C(=O)N(c3ccccc3)C23CCCCC3)CC1 20745163 QCCGNMRPMDVDRX-QHCPKHFHSA-N 445.563 3.857 0 40 IHAB O=C(Cc1csc(N2CCCC2=O)n1)Nc1cccc(NC(=O)c2cccs2)c1 21142422 ZMLXIPLWYOINTP-UHFFFAOYSA-N 426.523 3.765 0 40 IHAB CC(C)(C)c1ccc(OCCNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 21904224 LIUYBGBEFUMLKO-UHFFFAOYSA-N 430.570 3.577 0 40 IHAB Cc1nc(SCC(=O)Nc2cccc(N3CCCC3=O)c2)n(C[C@H]2CCCO2)c1C 22131519 XJRRFZHXSLZNSZ-LJQANCHMSA-N 428.558 3.537 0 40 IHAB O=S(=O)(CCN1CCN(Cc2nc3ccccc3s2)CC1)c1ccc(Cl)cc1 22917562 OTOZGIXOYJQRIL-UHFFFAOYSA-N 436.002 3.541 0 40 IHAB O=C(Cn1ncc(Br)c(Br)c1=O)C12CC3CC(CC(C3)C1)C2 23557657 UKINOIWHZVKSCY-UHFFFAOYSA-N 430.140 3.554 0 40 IHAB O=C(NCc1ccccc1CN1CCOCC1)c1ccccc1SC[C@H]1CCCO1 23805787 GJHJTKWECXWNHL-OAQYLSRUSA-N 426.582 3.720 0 40 IHAB COc1cccc(-c2noc(CN3C(=O)N[C@@](C)(c4cccc5ccccc45)C3=O)n2)c1 23982617 GLHZTHRXUQUGMN-DEOSSOPVSA-N 428.448 3.866 0 40 IHAB Cc1cc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)c(C)s1 24070313 QIFZXLWURDVNLN-UHFFFAOYSA-N 428.601 3.649 0 40 IHAB CCOC(=O)c1cnn(-c2ccc(C(=O)NCc3ccccc3OC(F)F)cc2)c1C 24824401 FSGPNSHRDYZEEE-UHFFFAOYSA-N 429.423 3.889 0 40 IHAB O=C(c1ccccc1CSc1nc2ccccc2o1)N1CCN(c2cnccn2)CC1 25836118 AXKMZXUADBDPFL-UHFFFAOYSA-N 431.521 3.873 0 40 IHAB CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 25956349 CACFMTIMCKDEGP-OFVILXPXSA-N 446.576 3.952 0 40 IHAB CSc1nc2ccc(NC(=O)[C@@H]3CS[C@@H](Cc4ccccc4F)C(=O)N3)cc2s1 29648926 LDINLSAUXZVZOT-RDJZCZTQSA-N 447.582 3.939 0 40 IHAB CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 32674827 DWTGYUIJOCFICN-GEBQCUDNSA-N 437.628 3.734 0 40 IHAB CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)cc(Br)c2OC)c1 32906458 LLTSFLLWWSXUDQ-UHFFFAOYSA-N 447.738 3.662 0 40 IHAB CC[C@@H](C(=O)Nc1nnc(SCc2cc(=O)n3oc(C)cc3n2)s1)c1ccccc1 35426848 IAPKVLSYYMBZJR-OAHLLOKOSA-N 441.538 3.872 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(-c4ccc5c(c4)OCO5)o3)C2)cc1C 35596944 DHLZGIGGWSPPHO-QGZVFWFLSA-N 441.509 3.650 0 40 IHAB COc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(N3C[C@H](C)O[C@@H](C)C3)o2)cc1 39845882 DCVPECIBDRFZAG-HOTGVXAUSA-N 428.510 3.797 0 40 IHAB COc1ccc([C@H](CNC(=O)c2csc(-c3cnn(C)c3)n2)N2CCCCC2)cc1 40143480 YWTUFVZMYBFUMN-FQEVSTJZSA-N 425.558 3.509 0 40 IHAB COc1ccccc1-c1nn(CN2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)c(=S)o1 40149181 YMFYUBZYXGQDON-INIZCTEOSA-N 439.541 3.893 0 40 IHAB O=C1C[C@H](C(=O)Nc2ccccc2)c2c(nc(Nc3cc(Cl)cc(Cl)c3)[nH]c2=O)N1 40399436 SKPQBTHMHDKWIY-AWEZNQCLSA-N 444.278 3.885 0 40 IHAB Cc1cccc(OCC(=O)Nc2cc(-c3ccccc3)nn2[C@H]2CCS(=O)(=O)C2)c1C 41024930 CYLFLSLTHDSGGT-IBGZPJMESA-N 439.537 3.544 0 40 IHAB CCc1ccc(-c2nn(CC)c(=O)c3c2CCCC3)cc1S(=O)(=O)NC1CCCC1 44803405 NOZMWLZTFDBNQH-UHFFFAOYSA-N 429.586 3.592 0 40 IHAB O=C(Cn1c(=O)n(Cc2cccc(Cl)c2)c(=O)c2ccccc21)Nc1cccc(F)c1 57472969 GTJRGTXRKOZAGN-UHFFFAOYSA-N 437.858 3.643 0 40 IHAB CSc1nc2cc(C)n(CC(=O)NCc3ccccc3Cl)c2c(=O)n1CC(C)C 67319859 LDHQRFDEIYIXPJ-UHFFFAOYSA-N 432.977 3.854 0 40 IHAB Cc1ccc(NC(=O)C(=O)NCC2CCN(c3nc4ccccc4o3)CC2)cc1Cl 70901079 TWNGHWJCUCGGKL-UHFFFAOYSA-N 426.904 3.761 0 40 IHAB CCOc1cccc(CNC(=O)c2cn(-c3cc(-c4nc(C(C)(C)C)no4)ccn3)cn2)c1 71768394 RLQBJCPZEKRGDK-UHFFFAOYSA-N 446.511 3.944 0 40 IHAB COCCNC(=O)c1sc2ccccc2c1C[C@@H]1CCCN1C(=O)c1scnc1C 72370366 QUKOLBGBVNYDFD-HNNXBMFYSA-N 443.594 3.890 0 40 IHAB COc1ccccc1CNC(=O)c1cc([C@H]2CCN(C(=O)Nc3ccc(F)cc3)C2)n[nH]1 72375098 BCJZEVLNOHTUQB-INIZCTEOSA-N 437.475 3.509 0 40 IHAB CN1CCN(C(=O)C[C@H]2CC3(CCN(C(=O)c4ccc(F)cc4)CC3)c3ccccc32)CC1 96242236 BKUHESVNTDOAGT-NRFANRHFSA-N 449.570 3.651 0 40 IHAB C[C@H](c1ccccc1)N(C)C(=O)CN1CCN(Cc2ccc(Br)s2)CC1 96845428 QKVNAISVOYKUNZ-MRXNPFEDSA-N 436.419 3.848 0 40 IHAB COc1c(C)cccc1C(=O)N[C@H](c1cc(O)n2nc(C3CCOCC3)cc2n1)C(C)C 100730048 CULSCBZJTOZMEA-QFIPXVFZSA-N 438.528 3.773 0 40 IHAB Cc1ccc(C(=O)Nc2ccccc2C(=O)NCC(C)C)cc1N1CCCCS1(=O)=O 222567576 GZJPUCPZSNINDQ-UHFFFAOYSA-N 443.569 3.563 0 40 IHAB C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)c1ccc2c(c1)CCCC2 223007925 IPYKRUUKZGPZIB-XMSQKQJNSA-N 426.582 3.844 0 40 IHAB Cc1cccc(N(CC(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)S(C)(=O)=O)c1 223337783 IODUOSQHZMSHCO-UHFFFAOYSA-N 436.946 3.572 0 40 IHAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(OC)cc1 223405127 HYOOKMVPNGSFJX-NRFANRHFSA-N 430.520 3.935 0 40 IHAB CCc1ccc([C@@H](C)NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 223439305 XNADUJDXIATBRD-CQSZACIVSA-N 428.476 3.911 0 40 IHAB COc1ccc(S(=O)(=O)NCCOc2ccc3ccccc3c2)cc1Br 223603104 ZVTDYHIWJQSFGW-UHFFFAOYSA-N 436.327 3.968 0 40 IHAB COC(=O)CN(c1c(C)cccc1C)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224612258 CPDBTNFUJCHVLB-UHFFFAOYSA-N 432.325 3.987 0 40 IHAB COc1ccc(-c2nnc(NS(=O)(=O)Cc3cccc(Br)c3)s2)cc1 224872094 HVRSHBQQICNZLC-UHFFFAOYSA-N 440.344 3.918 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2cccc(Cl)c2C)cc1Br 224882487 YQDGHZLQOSRMSR-UHFFFAOYSA-N 448.722 3.699 0 40 IHAB COc1ccc2cc(S(=O)(=O)Nc3ccccc3C(=O)NCc3cccnc3)ccc2c1 225250805 IJKDUAXZNUUZHM-UHFFFAOYSA-N 447.516 3.974 0 40 IHAB CCc1ccc([C@H](C)NS(=O)(=O)c2nnc(NC(=O)c3cccc(C)c3)s2)cc1 225284594 AKSYSWLBCRBDEO-AWEZNQCLSA-N 430.555 3.701 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3ccc(Cl)c(Cl)c3)CC2)cc1 225330230 OVRYXESJHALPTQ-UHFFFAOYSA-N 441.380 3.768 0 40 IHAB CCOC(=O)c1ccc(C)c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)c1 225520890 YIAXUXVKXUMLFZ-IBGZPJMESA-N 444.553 3.520 0 40 IHAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3CC)cc1Cl 225694237 KJDUYCFTKLGXID-UHFFFAOYSA-N 440.930 3.714 0 40 IHAB CC(C)(C)C(=O)NC(=S)Nc1c(Br)cc(C(=O)O)cc1Br 226354691 YUHLUGUPLZJROR-UHFFFAOYSA-N 438.141 3.769 0 40 IHAB O=C(c1ccccc1F)N1CCc2c(O)nc([C@@H]3CCN(C[C@@H]4CC=CCC4)C3)nc2C1 247798803 DSJRLLXGMSUEIF-QZTJIDSGSA-N 436.531 3.665 0 40 IHAB Cc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCCC[C@H]3C)nc(O)c21 253571205 ORDIVELMNCAXPV-TZMCWYRMSA-N 429.908 3.587 0 40 IHAB O=C1NCCN(C(=O)c2[nH]nc3c2CCCCC3)[C@H]1Cc1ccccc1-c1ccc(F)cc1 257294884 QWDGHVSBYVNQBJ-QHCPKHFHSA-N 446.526 3.668 0 40 IHAB Cc1c(CN2CCO[C@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)[nH]n3)C2)cnn1C 257295788 QZWGGJKNUXSHCD-NRFANRHFSA-N 449.477 3.665 0 40 IHAB COC(=O)N1Cc2nnc(-c3ccc(F)cc3)n2C2(CCN(Cc3cccs3)CC2)C1 306141174 VNBMMGDNALFHQI-UHFFFAOYSA-N 441.532 3.719 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(F)c(Cl)c3)C2)cc1 408562276 YQINUOHFLXEHPJ-CQSZACIVSA-N 440.924 3.917 0 40 IHAB COc1ccc(CN(C)C(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc1 408627943 RTLWLWRYHPDZHQ-UHFFFAOYSA-N 442.512 3.688 0 40 IHAB COc1cc(OC)cc(-c2nnc(S/C(=C\c3ccc(C(=O)O)cc3)C(=O)O)o2)c1 408633674 OMHYLTIBBCISOF-APSNUPSMSA-N 428.422 3.670 0 40 IHAB O=C(Cc1ccc(C(F)(F)F)cc1)NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21 585111384 RPWMVGBVFPLBEX-FQEVSTJZSA-N 429.442 3.923 0 40 IHAB O=C1NCCN(C(=O)CCCOc2ccccc2F)[C@@H]1Cc1ccc(-c2ccncc2)cc1 585169059 ZRZDVHBNSCTIEL-HSZRJFAPSA-N 447.510 3.616 0 40 IHAB C[C@@H]1C[C@@H](C)CN(Cc2ccccc2CNC(=O)CNC(=O)c2ccc3c(c2)CCC3)C1 589688080 CPKWAAQJQZOERZ-WOJBJXKFSA-N 433.596 3.699 0 40 IHAB CN(Cc1ccccc1)[C@@H](CNS(=O)(=O)c1cnc(-c2ccccc2)s1)C1CC1 1622055616 LNDPDRNNCBUTHB-FQEVSTJZSA-N 427.595 3.999 0 40 IHAB CCN1CCN(C(=O)c2cccc(OC)c2)[C@H](Cc2cccc(-c3ccncc3)c2)C1=O 1848351818 QIQNBROVQLUYKF-XMMPIXPASA-N 429.520 3.673 0 40 IHAB O=C(CCC1CCCCC1)Nc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2s1 950381 HMQCBMNSNMIHCF-UHFFFAOYSA-N 437.587 3.616 0 40 IHAB COC(=O)c1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2C)cc1 1346322 HAAXKMXTNQINKI-UHFFFAOYSA-N 433.493 3.641 0 40 IHAB COc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)c3ccc(C)cc3)n2)cc1 1372842 LUUOKWJEOHXRPY-UHFFFAOYSA-N 442.479 3.548 0 40 IHAB CCOC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)COc1ccc(Br)cc1 1738403 QXXNZCQTGAOJIR-LJQANCHMSA-N 445.313 3.600 0 40 IHAB biogenic,in-vitro COc1ccccc1NC(=S)NC(=O)c1ccc(C)c(I)c1 2137162 HISULUMIOSFJDQ-UHFFFAOYSA-N 426.279 3.735 0 40 IHAB COc1cccc([C@@H]2CC(c3ccc(Br)cc3)=NN2S(C)(=O)=O)c1OC 4165324 KLKTXGWGSOUQSZ-INIZCTEOSA-N 439.331 3.577 0 40 IHAB CC(C)Cn1c(=O)c2ccccc2n2c(CCC(=O)NCc3ccccc3Cl)nnc12 8604876 BXMRGPOPJIJCQB-UHFFFAOYSA-N 437.931 3.603 0 40 IHAB C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O)c1ccc(-c2ccccc2)cc1 8634695 CFYFEYGDHLUKDW-QYBDOPJKSA-N 427.504 3.998 0 40 IHAB O=C(Nc1nc2c(s1)CC[C@H]2C(=O)NCC1CCCCC1)c1ccc2c(c1)OCO2 9300967 KNBNRZQYBAZRSI-OAHLLOKOSA-N 427.526 3.850 0 40 IHAB O=C(NC(=S)N(CCO)Cc1ccccc1)c1cc(Br)ccc1Cl 9373260 FZCWTWSCBMTFPT-UHFFFAOYSA-N 427.751 3.612 0 40 IHAB COc1ccc(C(=O)Nc2ccncc2NC(=O)c2ccc(OC)c(OC)c2)cc1OC 9404533 MZSYDUOVHCOTCK-UHFFFAOYSA-N 437.452 3.621 0 40 IHAB COc1ccc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)C[S@@](=O)C3)cc1OC 9413943 PTJDUAIWVPUSJY-GDLZYMKVSA-N 431.901 3.558 0 40 IHAB Cc1ccc(-c2cc(-c3nnc(SCC(=O)Nc4cccc(Cl)c4)n3N)[nH]n2)cc1 9487490 IAZHPECMVJPUJB-UHFFFAOYSA-N 439.932 3.742 0 40 IHAB CC(=O)Nc1cccc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(F)cc2)c1 9517650 OAZBQZKJLAHIMX-UHFFFAOYSA-N 436.472 3.644 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCC(C)C)Cc2c(F)cccc2Cl)cc1 9720595 FLGROJFNZYHDFI-UHFFFAOYSA-N 426.941 3.751 0 40 IHAB C[C@H]1CCN(C(=O)CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)c2ccccc2S1 9836727 BDDUEQVGNHQPNM-KXBFYZLASA-N 448.548 3.548 0 40 IHAB Cc1cc(CNC(=O)Cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)ccc1F 10552465 CSRKMPKMHZSRIV-UHFFFAOYSA-N 430.476 3.933 0 40 IHAB O=C(CCc1ccccc1)Nc1cc(-c2ccco2)nn1-c1nc2c(c(=O)[nH]1)CCCC2 12010470 FFLDGWMQAOFLQB-UHFFFAOYSA-N 429.480 3.666 0 40 IHAB COc1cccc(OC[C@H]2[C@@H]3CC[C@@H](C3)N2C(=O)c2cc(OC)c(OC)c(OC)c2)c1 12085299 JAVAMLPZBFIAOI-SYNHAJSKSA-N 427.497 3.793 0 40 IHAB CCn1ncc(S(=O)(=O)N2[C@H](COc3cccc(C(F)(F)F)c3)[C@H]3CC[C@@H]2C3)c1C 12085323 JKCFMHKYXRRNTE-YXJHDRRASA-N 443.491 3.851 0 40 IHAB CC1(C)Cc2nc(-c3ccncc3)ncc2[C@@H](NC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)C1 12221122 ZYKTWSOOBXUKIB-GCJKJVERSA-N 447.583 3.850 0 40 IHAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1 12523218 YCHNGSKOWZDRNU-MRXNPFEDSA-N 447.988 3.754 0 40 IHAB O=C(NC[C@@H](c1cccs1)N1CCOCC1)C1(c2ccc(Br)cc2)CC1 12806492 SUQYWLSVANBNHL-KRWDZBQOSA-N 435.387 3.732 0 40 IHAB CNC(=O)c1ccc(NCC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)cc1 12812686 CVUDYHVEQHKSIN-UHFFFAOYSA-N 437.521 3.524 0 40 IHAB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)Nc2ccc(SC(F)F)cc2)c1C 12902976 CYBYXJJFPAOZJQ-UHFFFAOYSA-N 426.441 3.918 0 40 IHAB O=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccc(S(=O)(=O)C(F)F)cc1 13108623 VSBDZOHEYWERIF-UHFFFAOYSA-N 446.357 3.535 0 40 IHAB Cc1noc(C)c1COc1cccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 13114767 HGYFHUGCLDVNPU-UHFFFAOYSA-N 432.480 3.921 0 40 IHAB Cc1c(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)sc2cccc(F)c12 13148503 MZHYUBZXSXEXOO-UHFFFAOYSA-N 434.514 3.622 0 40 IHAB Cc1ccc(NC(=O)Cn2c(=O)n(CCc3ccccc3)c(=O)c3sccc32)c(C)c1 13533514 XDDYFFSOKGMOLF-UHFFFAOYSA-N 433.533 3.723 0 40 IHAB CCOc1cc(/C=C2/N=C(c3ccc(F)cc3)OC2=O)cc(Cl)c1OCC(=O)OC 13564653 IDNYZBPNELTYEX-CXUHLZMHSA-N 433.819 3.774 0 40 IHAB CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccncc4)[C@@H]3C2=O)cc1 13769885 ZZEGYUHGFNNAND-VABKMULXSA-N 429.476 3.922 0 40 IHAB Cc1ccc(C2=NN(C(=O)Cn3cc(Br)ccc3=O)[C@H](c3cccs3)C2)o1 14142407 ZEXBNOXIHCPEFF-HNNXBMFYSA-N 446.326 3.952 0 40 IHAB O=C(NCC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 14183162 VJVKPARMWZKGKG-UHFFFAOYSA-N 449.501 3.628 0 40 IHAB O=C(NC[C@@H]1CCCO1)c1ccccc1NS(=O)(=O)c1cc(Cl)ccc1Cl 14870428 LGESYFJUDLDPGJ-ZDUSSCGKSA-N 429.325 3.703 0 40 IHAB COc1cccc([C@H](CNC(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)N(C)C)c1 18017005 IEUAHDBQOIUNRB-DEOSSOPVSA-N 447.535 3.636 0 40 IHAB CC(=O)Nc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(Cl)ccc2O3)cc1 19022373 GNLMBSOASQKPCZ-RTWAWAEBSA-N 430.932 3.683 0 40 IHAB COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@]3(c3ccccc3)N3CCCN23)cc1 19171912 RZUJMYKUMLGNIH-OASJLCFRSA-N 439.515 3.758 0 40 IHAB Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)[C@@H]4CCS(=O)(=O)C4)C3)c(-c3ccncc3)c2c1 19220160 ZUSONRUTSYVOFR-RTBURBONSA-N 437.565 3.679 0 40 IHAB COc1ccc(CN(C)CC(=O)N2CCCC[C@H]2c2n[nH]cc2-c2ccncc2C)cc1 19239567 ACRSVKPQXVHDML-QHCPKHFHSA-N 433.556 3.974 0 40 IHAB Cc1ncoc1C(=O)N1CCO[C@@](Cc2cccc(-c3ccccc3)c2)(C(=O)NC(C)C)C1 19559594 VLBUMOGCQBEDFI-AREMUKBSSA-N 447.535 3.629 0 40 IHAB COc1ccc(-c2cc3nc([C@H](C)NC(=O)C4(c5ccc(OC)cc5)CC4)nn3cn2)cc1 19574355 TYTJMOGCTNBJQM-INIZCTEOSA-N 443.507 3.718 0 40 IHAB CNc1nc([C@@H]2CCCCN2C(=O)C(C)(C)c2cccc(F)c2)nc2c1CN(C)CC2 19710357 YUBBTBISCSOENH-FQEVSTJZSA-N 425.552 3.677 0 40 IHAB COc1ccc(CN2C(=O)Cc3c(C)nc([C@@H]4CCCN4C(=O)c4ccccc4)nc32)cc1 19739787 IOBQTXGUHJUBAR-QFIPXVFZSA-N 442.519 3.860 0 40 IHAB COCCNC(=O)c1cc([C@@H]2CCN(Cc3ccc(C)cc3OC)C2)nc2ccccc12 19761873 BCPPJKACCLRDDR-LJQANCHMSA-N 433.552 3.918 0 40 IHAB CCCCCCOc1ccc(/C=c2/sc3nc(-c4cccnc4)nn3c2=O)cc1OC 19807948 VPMKXSOWKILHJM-XSFVSMFZSA-N 436.537 3.728 0 40 IHAB O=C(C[C@@H]1C(=O)N(Cc2ccco2)c2nc3ccccc3n21)Nc1ccc2c(c1)OCCO2 19817629 RFMJRWIOWZQVRV-LJQANCHMSA-N 444.447 3.517 0 40 IHAB O=C(NCc1ccccc1Cl)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 19868397 IVRBFKPXVXEWSR-UHFFFAOYSA-N 441.380 3.852 0 40 IHAB O=C(NCc1ccc(Cl)cc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 20007645 IDNNGMDDPZJGJQ-NRFANRHFSA-N 446.931 3.685 0 40 IHAB O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)NCc1ccc(F)cc1 20020447 DIYAPOFJTYKNAK-UHFFFAOYSA-N 448.903 3.975 0 40 IHAB Cc1cc(C)c(N(CC(=O)NCCSCc2ccccc2C)S(C)(=O)=O)c(C)c1 22389548 DTEGRECMSHBOHS-UHFFFAOYSA-N 434.627 3.736 0 40 IHAB COc1cc(C(=O)N2CCC[C@H](c3nnc(-c4cccs4)o3)C2)cc(OC)c1OC 23140239 OIPBLCXNFAOXJA-ZDUSSCGKSA-N 429.498 3.844 0 40 IHAB CN(CC(=O)Nc1ccccc1Cl)C(=O)CNc1cccc(NC(=O)C(C)(C)C)c1 24358621 LOAVSDKBBXJLPD-UHFFFAOYSA-N 430.936 3.834 0 40 IHAB Cn1c(SCCS(=O)(=O)c2ccc(Br)cc2)nnc1-c1cccs1 24835421 PFSMCBHYUDRHKF-UHFFFAOYSA-N 444.401 3.872 0 40 IHAB O=C(NCc1ccccc1)[C@@H](Cc1ccccc1)NC(=O)N1CC(O)=Nc2ccccc21 25077188 PQDXXENJANAAAE-OAQYLSRUSA-N 428.492 3.732 0 40 IHAB Cc1nn(C)c2ncc(NC(=O)c3nc(-c4cccs4)n(-c4cccc(F)c4)n3)cc12 25163461 VDKHYIKNEHJLET-UHFFFAOYSA-N 433.472 3.977 0 40 IHAB Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1 25214984 DSCPDUKINFKRRC-UHFFFAOYSA-N 428.552 3.649 0 40 IHAB COc1cc(OC)cc(C(=O)N(Cc2ccc(C(=O)NCC(F)(F)F)cc2)C2CC2)c1 29075932 SQGUFIVRENXCOK-UHFFFAOYSA-N 436.430 3.801 0 40 IHAB O=C(Nc1cccc(S(=O)(=O)N2CCc3sccc3C2)c1)c1cccnc1Cl 29136708 AWNDMFVRIKBYCV-UHFFFAOYSA-N 433.942 3.796 0 40 IHAB Cc1oc(-c2cccs2)nc1CC(=O)N1CCN(C(=O)Nc2ccc(F)cc2)CC1 30255233 DWZVSUVDIDXRLB-UHFFFAOYSA-N 428.489 3.769 0 40 IHAB C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1ccc(CCNS(C)(=O)=O)s1 31336545 OXLKJYJSFYXNIH-NSHDSACASA-N 435.398 3.980 0 40 IHAB C[C@H]1CCCC[C@@H]1N1C(=O)C(=O)N(CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1=O 32721624 DVLCBSMYNLUBGD-JXFKEZNVSA-N 435.480 3.787 0 40 IHAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 32768312 SPTLRVOXLMTWTL-OAQYLSRUSA-N 437.521 3.654 0 40 IHAB O=C(c1ccccc1Br)N1CCN(Cc2nc(-c3ccsc3)no2)CC1 32908587 XVXKZCKIQAGXSC-UHFFFAOYSA-N 433.331 3.519 0 40 IHAB COCCNC(=O)c1ccccc1NC(=O)c1sc(Cc2ccc(F)cc2)nc1C 32955925 SGOLOAVOSUEENI-UHFFFAOYSA-N 427.501 3.810 0 40 IHAB COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)cc1[N+](=O)[O-] 33778245 HQFSKZVYXHOGCE-FRKPEAEDSA-N 449.391 3.557 0 40 IHAB Cc1ccc(CN2C(=O)[C@H]3[C@@H](c4ccccc4)[C@H]4C=C[C@@]3(O4)[C@H]2C(=O)NC2CCCC2)cc1 35290027 XCVNSRUWIFGCQF-SMOQRCJMSA-N 442.559 3.872 0 40 IHAB CNC(=O)Cc1csc(NC(=O)c2ccc(OCc3ccc4ccccc4n3)cc2)n1 35598352 OXUCYOYYSVVOLF-UHFFFAOYSA-N 432.505 3.811 0 40 IHAB CN1C(=O)[C@@]2(CC(=O)Nc3c2sc(C(=O)O)c3-c2ccccc2F)c2ccc(F)cc21 36359091 WCYBUYCONRWRNE-QFIPXVFZSA-N 440.427 3.996 0 40 IHAB COc1ccc(-c2cnn3c(C)c(C(=O)N4CCN(Cc5ccccc5)CC4)cnc23)cc1 38829644 YIEHWYQVZAZMFN-UHFFFAOYSA-N 441.535 3.671 0 40 IHAB COc1cc(Br)c(S(=O)(=O)N(C)C/C=C/c2ccccc2)cc1OC 40049304 DGHQKBCZZSABKC-JXMROGBWSA-N 426.332 3.800 0 40 IHAB COc1ccc(Cc2cn3c(COc4ccc5c(c4)OCO5)nnc3s2)cc1OC 45221629 VTUVSYCPQAPRGY-UHFFFAOYSA-N 425.466 3.707 0 40 IHAB Cc1ccc(Cn2c(=O)c3ccccc3n3c(=O)n(Cc4cccc(Cl)c4)nc23)cc1 64860701 XJFULFYJDHITOP-UHFFFAOYSA-N 430.895 3.869 0 40 IHAB CSc1cccc(NC(=O)CN2C(=O)N[C@@H](c3cc(C)ccc3C)C3=C2COC3=O)c1 67288787 IXIGGANYWZKDNX-NRFANRHFSA-N 437.521 3.541 0 40 IHAB Cc1cc(C)n([C@@H](C)C(=O)N(C)c2ccc(NC(=O)[C@@H](C)n3nc(C)cc3C)cc2F)n1 72300840 JQRYQZDEEMTBRP-MSOLQXFVSA-N 440.523 3.876 0 40 IHAB CCN1CC[C@@]2(CCC1=O)C[C@@H](NC(=O)C1=Cc3ccccc3OC1)c1ccccc1O2 72327849 PKZQEUFSZSPRBW-RLWLMLJZSA-N 432.520 3.874 0 40 IHAB CCn1ncc(S(=O)(=O)N2CCC[C@@H](c3cccc(-c4ccc(F)cc4)n3)C2)c1C 72350170 XVIIXGSHDQLYEB-GOSISDBHSA-N 428.533 3.981 0 40 IHAB COc1cc2c(cc1CN1CCC[C@@H](c3ccc4c(NC(C)C)n[nH]c4n3)C1)OCCO2 72374479 RJDHJOVIWJUYAP-MRXNPFEDSA-N 437.544 3.938 0 40 IHAB C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1ccc3[nH]c(-c4ccc(Cl)cn4)nc3c1)CS2 79074250 ABTYPZBWCWVRPU-UZLBHIALSA-N 427.917 3.671 0 40 IHAB Cc1cc(N2CC[C@]3(O)CCCC[C@@H]3C2)nc([C@H](C)N2CC[C@]3(O)CCCC[C@@H]3C2)n1 95452729 BZEVBUNFRZVASC-ZDSZSBLGSA-N 428.621 3.604 0 40 IHAB C[C@H](NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl)c1nc2ccccc2[nH]1 96118637 AZHDNVFDJJDWLK-ZDUSSCGKSA-N 432.933 3.637 0 40 IHAB CCc1ccc(NC(=O)N2CC[C@@H]3Oc4ccccc4S(=O)(=O)N(CC)[C@H]3CC2)cc1 96145724 VSDPYYSQSPMUOC-PMACEKPBSA-N 443.569 3.717 0 40 IHAB CCCCN(C)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cccc(C)c3n2C)cc1 100821276 UCKNUYBOERWXDS-DQRAZIAOSA-N 431.583 3.710 0 40 IHAB CCCc1nn(-c2nc3ccccc3o2)c(O)c1[C@H]1CC(=O)N(CCc2ccccc2)C1=O 101983892 WYCPQTVYHBBOBD-QGZVFWFLSA-N 444.491 3.757 0 40 IHAB O=C1[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1nn(Cc2ccc(Cl)cc2Cl)cc1Cl 102014677 AYJQHBAMAZERGP-ZQDZILKHSA-N 426.687 3.558 0 40 IHAB COc1ccc([C@H]2C=C(C(=O)O)Nc3nc(-c4cccc(Br)c4)nn32)cc1 102859867 QUMHCJMLFFZWTH-MRXNPFEDSA-N 427.258 3.700 0 40 IHAB Cc1ccc(OC[C@H](C)NC(=O)c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)cc1 220003308 JPKQRPFACULKHE-IBGZPJMESA-N 430.570 3.613 0 40 IHAB CCOc1cccc(CNC(=O)[C@@H](C)N(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c1 220438974 RPPUZNKFTPHIND-CYBMUJFWSA-N 445.368 3.863 0 40 IHAB CC[C@H](NS(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1)c1ccccc1 223082949 ITALWWGKGKHNTA-HNNXBMFYSA-N 436.946 3.873 0 40 IHAB Cc1cccc(N(CCCC(=O)Nc2cccc(N3CCCC3=O)c2)S(C)(=O)=O)c1C 224275179 KLTVWAOIOTTXEU-UHFFFAOYSA-N 443.569 3.615 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(C)ccc3C)C2)cc1 225922980 XBKNLXPAWWAPIQ-IBGZPJMESA-N 444.553 3.520 0 40 IHAB O=S(=O)(c1ccc(F)cc1)c1nc(-c2ccc(F)cc2)oc1NCCn1ccnc1 256055594 MOTSTTRXSKUKBN-UHFFFAOYSA-N 430.436 3.761 0 40 IHAB Cc1cc(Nc2ncc(C)s2)cc([C@@H]2CN(C(=O)c3n[nH]c4c3CCCC4)CCO2)n1 257244274 IKQFJCFDSWTOKU-IBGZPJMESA-N 438.557 3.714 0 40 IHAB CN(C(=O)CN1CCO[C@@H](c2cccc(Nc3ccc(F)cn3)n2)C1)C1CCCCC1 257255937 KJLWLNQEPIXKPF-HXUWFJFHSA-N 427.524 3.524 0 40 IHAB Cc1cccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)c2)c1C 408654356 GHTCNQNVCJAUOY-ZCVTWQBDSA-N 446.503 3.634 0 40 IHAB Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC=C[C@@H](C)[C@H]4C3=O)cc2)c(C)c1 408661177 MDWBWWMRURTTOJ-AYPBNUJASA-N 446.503 3.801 0 40 IHAB CC(=O)c1cccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Br)cc2)c1 408665051 SLFVZVSTDOOUMW-UHFFFAOYSA-N 447.285 3.552 0 40 IHAB O=C(Nc1cccc(F)c1)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 408969803 UXYWFLCEOWJPGS-UHFFFAOYSA-N 441.322 3.628 0 40 IHAB Cc1cccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccccc3C)[C@@H]2c2ccc(Cl)cc2)c1 409061914 JYIPLLSJUOQTDN-VNGKGULCSA-O 432.931 3.973 0 40 IHAB COc1ccc(CCC(=O)N2CCC[C@]3(CCCN3C[C@H]3CCCO3)CC2)c(OC)c1 585100309 JXQYGUMZNOWVBD-RDGATRHJSA-N 430.589 3.663 0 40 IHAB Cc1ccc(CNC(=O)Nc2cccc([C@]3(C)COC(=O)N3)c2)c(-n2cc(Cl)cn2)n1 1674583969 WLMNJCKENWXMBB-NRFANRHFSA-N 440.891 3.506 0 40 IHAB COc1ccc(-n2c(SCc3nc4ccccc4c(=O)[nH]3)nc3ccccc3c2=O)cc1 905623 KIIWYDIIXUNCJH-UHFFFAOYSA-N 442.500 3.923 0 40 IHAB COC(=O)c1cccc(NC(=O)CN2CCC(c3nc4cc(Cl)ccc4[nH]3)CC2)c1 1358904 JBIQPYGNFSRXFP-UHFFFAOYSA-N 426.904 3.821 0 40 IHAB COc1cc([C@@H](c2cc3c(cc2OC(C)=O)OCO3)[C@@H](C)C(C)=O)cc(OC)c1OC 1608016 SYRORLGKMVZNMN-YTEVENLXSA-N 430.453 3.723 0 40 IHAB CCOC(=O)c1sc2ncn3nc(-c4ccc(Cn5nc(C)cc5C)o4)nc3c2c1C 2791406 XRHUUMWLEPITSH-UHFFFAOYSA-N 436.497 3.946 0 40 IHAB CCOc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1CCCOC 6631529 GORYDERBBSMVJO-UHFFFAOYSA-N 427.526 3.563 0 40 IHAB CCOc1ccc(N2C[C@H](c3nc(-c4cc(OC)c(OC)c(OC)c4)no3)CC2=O)cc1 8605162 MTZVACCZKQRVAT-OAHLLOKOSA-N 439.468 3.682 0 40 IHAB CC(C)C[C@@H](C(=O)NC1CCCC1)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 8789304 JFSKLJMGGBKSBF-CPJSRVTESA-N 436.556 3.677 0 40 IHAB biogenic Cc1coc2cc3oc(=O)c(CC(=O)N4C[C@@H]5C[C@H](C4)Cn4c5cccc4=O)c(C)c3cc12 8877060 OSNXXZKKAYRWTL-SJORKVTESA-N 444.487 3.506 0 40 IHAB biogenic Cc1ccc(-n2nnnc2SCC(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)c(C)c1 8973010 AWLLDIRIUFCSII-FQEVSTJZSA-N 435.557 3.761 0 40 IHAB O=C(OCC(=O)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccccc1)C1=COCCO1 9128435 IWJXUMGGVQCULU-QHCPKHFHSA-N 442.471 3.949 0 40 IHAB Cc1ccc(Cn2c(=O)c3c(nc4n3C[C@H](C)CN4c3cc(C)cc(C)c3)n(C)c2=O)cc1 9160536 IDFZLHGGJGEZIT-LJQANCHMSA-N 443.551 3.658 0 40 IHAB Cc1ccnn1-c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 9338360 ZPNLZDOTDCCZFD-UHFFFAOYSA-N 439.522 3.690 0 40 IHAB COc1ccc(-c2nc3scc(CCNC(=O)c4ccc(F)c(F)c4)n3n2)cc1OC 9568901 FVOBGVCYSUOCFB-UHFFFAOYSA-N 444.463 3.726 0 40 IHAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1c3ccccc3OC[C@@H]1c1ccccc1)C2=O 9614209 NZYCISGFBVWNRH-CVBYOTHMSA-N 433.508 3.654 0 40 IHAB CCOc1cc(C(=O)Oc2cc(C(=O)OC)cc(C(=O)OC)c2)cc(OCC)c1OCC 9703645 VYCZVDJODQOQKW-UHFFFAOYSA-N 446.452 3.675 0 40 IHAB O=C(CSc1nnnn1Cc1cccs1)N[C@@H](c1ccc(F)cc1)c1cccs1 9746597 KPOIOCFVEOXXQN-SFHVURJKSA-N 445.570 3.981 0 40 IHAB COc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CCc3sccc3C2)ccc1F 9896656 FKXQSUUPADBNLK-UHFFFAOYSA-N 446.525 3.895 0 40 IHAB CC[C@H](C)NC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Br)cc1 10119445 ZNVVSYMSHUYPFP-ZDUSSCGKSA-N 437.359 3.729 0 40 IHAB CCN(CC(=O)NC(C)C)C(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 11152446 KTMZJAQIOPONFD-UHFFFAOYSA-N 433.578 3.509 0 40 IHAB O=C(c1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1)N1CCN(c2ccccn2)CC1 12338437 HDEGLQCHZCASMZ-UHFFFAOYSA-N 443.334 3.561 0 40 IHAB CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1 12550985 WEBFCNDHZMJKBE-AEFFLSMTSA-N 440.569 3.660 0 40 IHAB O=C(Cc1cccc(C(F)(F)F)c1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1 12764897 OGTPGFGEWGKSJP-KRWDZBQOSA-N 445.441 3.692 0 40 IHAB COc1ccccc1NC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2Cc1ccccc1 12776692 RRKHQCJIABKRLR-SANMLTNESA-N 441.487 3.813 0 40 IHAB CCOC(=O)c1sc(NC(=O)c2cccc(S(C)(=O)=O)c2)nc1-c1ccccc1 12861979 ISTSMJSXENJPPM-UHFFFAOYSA-N 430.507 3.643 0 40 IHAB O=C(c1cccc(Oc2ccccc2)c1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 12927735 UDJJYXIGUHMGPZ-XMMPIXPASA-N 444.487 3.603 0 40 IHAB CC(=O)c1ccccc1NC(=O)[C@H](C)OC(=O)c1cn(-c2ccccc2C(F)(F)F)nn1 12940737 HLWMBEXPVGQRTC-ZDUSSCGKSA-N 446.385 3.673 0 40 IHAB Cc1ccccc1N1CCN(C(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)CC1 13039612 NWJSLZGPCZSPCO-UHFFFAOYSA-N 441.597 3.522 0 40 IHAB O=C(OCC(=O)N1CCCc2ccccc21)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 13148410 ZVLNKKHLHNGBHC-UHFFFAOYSA-N 440.927 3.715 0 40 IHAB CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)N1CCN(c2cc(Cl)ccc2C)CC1 13504879 HNOIRYGOPOOPBG-NRFANRHFSA-N 440.979 3.965 0 40 IHAB COc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccccc4C)[nH]c(=O)c32)c(OC)c1 13567364 VYNVVVRAWKAMPM-QGZVFWFLSA-N 437.521 3.862 0 40 IHAB CC(C)C(=O)N[C@@]1(CC(=O)c2ccc(Br)cc2)C(=O)N(C)c2ccccc21 13623859 ZKNBUDWUIJBNES-OAQYLSRUSA-N 429.314 3.666 0 40 IHAB CC(C)N1[C@H](Cc2ccccc2OCc2ccccn2)[C@@H](O)c2ccccc2S1(=O)=O 13692207 CJCHDBNRZMVCFL-QPPBQGQZSA-N 438.549 3.718 0 40 IHAB O=C(Nn1cnc2scc(-c3ccccc3)c2c1=O)c1ccc(N2CCCC2=O)cc1 15568967 OPZGIDOCUYCTJI-UHFFFAOYSA-N 430.489 3.636 0 40 IHAB C[C@@H](OC(=O)CCNC(=O)CCC(=O)c1ccccc1)C(=O)Nc1ccc2ccccc2c1 16695574 NFEIIICLBGHDHI-GOSISDBHSA-N 446.503 3.879 0 40 IHAB COc1cc(OC)cc(C(=O)NCc2nnc(S)n2-c2cccc(C(F)(F)F)c2)c1 16943126 NNWLAQQHMZHLGO-UHFFFAOYSA-N 438.431 3.522 0 40 IHAB COc1ccc(-c2cc3c(SCC(=O)NCc4cccc(OC)c4)nccn3n2)cc1 16954665 DSQMMSMJNXEGDW-UHFFFAOYSA-N 434.521 3.822 0 40 IHAB COc1ccc([C@@H]2S[C@H](C)C(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC 17197812 ZRSWUJMCGVEDDR-CMJOXMDJSA-N 439.537 3.669 0 40 IHAB Cc1ccc(CN2CCC[C@H]2c2nn(CCO)cc2-c2ccnc(N3CCCC3)n2)cc1C 19213970 BDYJRWCIUSHVKJ-DEOSSOPVSA-N 446.599 3.887 0 40 IHAB Cc1cccc(C(=O)NCC(=O)OCC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)c1 19313342 CQRVPKXVZROGPC-UHFFFAOYSA-N 440.515 3.769 0 40 IHAB C[C@H]1CCCCN1CCC(=O)NCc1ccc(-c2ccnc3nc(C(F)(F)F)nn23)cc1 19496370 ALNVTPUTLPULEU-HNNXBMFYSA-N 446.477 3.691 0 40 IHAB CCc1[nH]c(=O)c(C(=O)N2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2ccncc2)cc1C 19521447 FMGKQNWUEOVWTQ-OAQYLSRUSA-N 446.555 3.531 0 40 IHAB Cc1cc(NC(=O)[C@H](C)Cn2nc(C)c(C)c2C)ccc1NC(=O)CN1CCCCC1 19570947 LJWMLRNFTCHHKP-QGZVFWFLSA-N 425.577 3.816 0 40 IHAB COc1ccc(NC(=O)[C@@H]2C[C@@H](C3CCN(Cc4cccc(OC)c4)CC3)N(C)C2)cc1 19587698 FUEYDAISFXSBBV-BWKNWUBXSA-N 437.584 3.875 0 40 IHAB CN(C)c1ncc(-c2cccc(Cl)c2)c([C@@H]2CCCN2C(=O)c2ccc(=O)n(C)c2)n1 19690092 ZGCRABJKNBGECF-IBGZPJMESA-N 437.931 3.539 0 40 IHAB Cc1cc(C)nc(NCCC(=O)N2CCO[C@@H](c3ccc(Cc4ccc(F)cc4)cn3)C2)n1 19692276 TUYOUFXRYMEJSP-HSZRJFAPSA-N 449.530 3.620 0 40 IHAB Cn1nccc1C(=O)N1CC[C@H]2[C@H]1CCCCC(=O)N2Cc1cccc(C(F)(F)F)c1 19713115 IGGZOBQNVDWVTN-MSOLQXFVSA-N 434.462 3.625 0 40 IHAB Cc1nc([C@@]2(O)CCCN(c3ncccn3)CC2)sc1CCOc1ccccc1F 19738699 PAYNOYKJEBBRLF-JOCHJYFZSA-N 428.533 3.880 0 40 IHAB CNC(=O)[C@]1(Cc2cc(C3CCCCC3)no2)CCN(Cc2cnc(C(C)C)nc2)C1 19739234 GKOJFRWKUYQXGI-DEOSSOPVSA-N 425.577 3.817 0 40 IHAB O=C(C[C@@H]1C(=O)N(Cc2ccc3c(c2)OCO3)c2nc3ccccc3n21)Nc1ccccc1 19961989 QVQAECUNDJOQOV-HXUWFJFHSA-N 440.459 3.882 0 40 IHAB COc1ccc(-c2n[nH]c(=S)n2CCC(=O)NCC2(N(C)C)CCCCCC2)cc1 21200816 AJTYGMYHYIBEGP-UHFFFAOYSA-N 431.606 3.777 0 40 IHAB Cc1ccc(-c2cnc(CCC(=O)N3C[C@H](C(=O)N(C)C)Oc4ccccc43)o2)cc1C 21478032 ILDDSKVZQMLJPT-JOCHJYFZSA-N 433.508 3.773 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1 22273493 YWWZWMCNCNKJNV-UHFFFAOYSA-N 445.324 3.575 0 40 IHAB Cc1ccc(N(CC(=O)NCCCc2cccc(OC(C)C)c2)S(C)(=O)=O)cc1C 22329489 XHXCFDOAEWHNCM-UHFFFAOYSA-N 432.586 3.606 0 40 IHAB CCOC(=O)c1ccc(NC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cc1 22715116 HGNZFZKJWBPQFB-FQEVSTJZSA-N 444.553 3.744 0 40 IHAB COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cc(Cl)ccc1OCC(F)(F)F 23042586 JDCGFHQJMQMUIT-UHFFFAOYSA-N 439.795 3.789 0 40 IHAB CCc1ccc(S(=O)(=O)c2cnc3ccccc3c2N2CCC3(CC2)OCCO3)cc1 23109700 BTAWDPIJZPULLJ-UHFFFAOYSA-N 438.549 3.973 0 40 IHAB COc1cc(C(=O)N2CCN(C(=O)N3CCCCC3)CC2)cc(Cl)c1OCC(C)C 24501279 WUWDRDCPFRGYEY-UHFFFAOYSA-N 437.968 3.747 0 40 IHAB COc1ccc2cc([C@@H](C)C(=O)NCc3ccc(C(=O)N4CCOCC4)cc3)ccc2c1 24924359 ZCMHURPSIJIFBQ-GOSISDBHSA-N 432.520 3.741 0 40 IHAB CCNS(=O)(=O)c1ccc(C)c(C(=O)N[C@H](c2ccccc2)c2ccc3nc[nH]c3c2)c1 25036894 OVUBRSQLPSWVLX-HSZRJFAPSA-N 448.548 3.689 0 40 IHAB O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)[C@@H](Cc1ccccc1)n1cnnn1 26923073 YZNHVROMKWHQIY-RCZVLFRGSA-N 436.519 3.887 0 40 IHAB CCOCCCn1c(SCC(=O)Nc2cc(F)ccc2F)nc2ccccc2c1=O 28420483 BFFAHFSWYUJHBZ-UHFFFAOYSA-N 433.480 3.832 0 40 IHAB c1coc(CNc2nnc(SC[C@@H]3CSc4nnc(-c5ccncc5)n43)s2)c1 30795732 BPBRINALYKBVNP-LBPRGKRZSA-N 429.556 3.836 0 40 IHAB Cc1nnc(SCC(=O)NC[C@@H](c2cccs2)N2CCCC2)n1Cc1ccccc1 32761626 DNLKELHECBNPIC-IBGZPJMESA-N 441.626 3.742 0 40 IHAB Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cnn1-c1ccccn1 32815948 KORAJSLHLTVVAC-UHFFFAOYSA-N 431.418 3.683 0 40 IHAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)N(C)c3nc4ccccc4o3)c2)C1 32901886 WMNWNFQYZWQISV-IYBDPMFKSA-N 427.526 3.771 0 40 IHAB C[C@@H](NC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1)c1ccc(-n2ccnc2)cc1 32970936 YKFUYJBGOJUHLW-WZONZLPQSA-N 440.503 3.910 0 40 IHAB Cc1ccn2c(=O)cc(COc3ccccc3NC(=O)COc3ccc(F)cc3)nc2c1 33067985 VXIKNCYMRIWPGN-UHFFFAOYSA-N 433.439 3.739 0 40 IHAB COCCn1c(SCC(=O)c2ccc(NC(C)=O)cc2)nnc1-c1ccc(OC)cc1 34791400 DDRXXNFOKCGFLM-UHFFFAOYSA-N 440.525 3.534 0 40 IHAB NS(=O)(=O)c1ccc(NC(=O)c2cc3occc3n2Cc2ccc(Cl)cc2)cc1 36358414 YZKPCTJWRUAFEE-UHFFFAOYSA-N 429.885 3.836 0 40 IHAB O=C(CN1CCN(C(=O)c2cc3c(s2)CCC3)CC1)Nc1ccccc1C(F)(F)F 36386774 DHZWMXVNWOZBDC-UHFFFAOYSA-N 437.487 3.652 0 40 IHAB O=C(CCc1nnc2c3cc(-c4ccccc4)nn3ccn12)NCc1ccccc1Cl 38487036 KXYCZLFZKCNRJR-UHFFFAOYSA-N 430.899 3.946 0 40 IHAB CCC(=O)c1ccc(OC(=O)C2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)cc1 40128611 YVONYRDYSXZYKF-UHFFFAOYSA-N 425.481 3.754 0 40 IHAB CCOC(=O)CCc1c(C)c2ccc(OCc3ccc(C(=O)OC)o3)c(C)c2oc1=O 41105507 AYOHSVZQFMRNCS-UHFFFAOYSA-N 428.437 3.864 0 40 IHAB O=C(Oc1ccccc1)N1CCC(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 43957278 KXKSNKYQOHFAHY-UHFFFAOYSA-N 442.459 3.895 0 40 IHAB Cn1c(=O)n(CCC(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)c2ccccc21 48361881 BNHQVJHKGOGHEW-MRXNPFEDSA-N 436.537 3.552 0 40 IHAB Cc1cc(C)cc(NC(=O)COc2coc(CN3CCN(c4ccccc4)CC3)cc2=O)c1 56949808 QFWDNELBZNYOEO-UHFFFAOYSA-N 447.535 3.596 0 40 IHAB CCOc1ccccc1NC(=O)Cn1c(=O)n(-c2cc(C)ccc2C)c(=O)c2sccc21 57492594 WMLCXRVRIPQKQD-UHFFFAOYSA-N 449.532 3.868 0 40 IHAB O=C(CCCOCCc1ccccc1)N(CCO)Cc1cc(Br)ccc1F 58405874 ZYGSNZLCDWBTGC-UHFFFAOYSA-N 438.337 3.949 0 40 IHAB COc1ccccc1NC(=O)Cn1cc(-c2ccc(Cl)cc2)c(N2CCOCC2)n1 62006942 VBZVKCYUWOHBTN-UHFFFAOYSA-N 426.904 3.687 0 40 IHAB O=c1c2sccc2n2c(=O)n(Cc3c(F)cccc3Cl)nc2n1Cc1cccs1 64946478 DFIRKZGFASEWFM-UHFFFAOYSA-N 446.916 3.823 0 40 IHAB Cc1ccc(NC(=O)Cn2cnc3nc(N4CCC[C@@H](C)C4)sc3c2=O)cc1Cl 67226065 PFUVWZUGGHPKEM-GFCCVEGCSA-N 431.949 3.690 0 40 IHAB Cc1cccc(C)c1NC(=O)c1nnn(CC(=O)Nc2ccccc2Br)c1C 67322394 VKHHVYWKBSYFTB-UHFFFAOYSA-N 442.317 3.857 0 40 IHAB COc1cc(CN2CCC[C@H]2c2ccc(Nc3cccc(C)n3)cn2)ccc1OCC(N)=O 72353182 MUEXRPOAEGWNRG-NRFANRHFSA-N 447.539 3.738 0 40 IHAB CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)N2CCN(c3ccccn3)CC2)C12CCCC2 72402392 BSJHCMAEYQYJBZ-DEOSSOPVSA-N 446.595 3.939 0 40 IHAB COC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](c3nc4ccccc4n3C(C)C)C2)cc1 79017754 FBICZNDPZCQWQI-GOSISDBHSA-N 441.553 3.972 0 40 IHAB CCN(CCN(C)CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 79021465 JLTITAAIAOGYRW-MRXNPFEDSA-N 433.902 3.535 0 40 IHAB CO[C@@H](C)c1nc(CN2CCCN(CC(=O)Nc3ccc(F)c(Cl)c3)CC2)cs1 79053453 HZPDTJDQJSVMKC-AWEZNQCLSA-N 440.972 3.789 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)Nc2c(C)cnn2-c2ccccc2)cc1 79055220 IHRDXBQZIJFFNI-DTQAZKPQSA-N 438.553 3.863 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COc1ccc(C)cc1 89267815 KBEIFLPDDHWUDP-UHFFFAOYSA-N 432.542 3.586 0 40 IHAB Cc1ccc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)cc1C 219255224 ZSOZTEWAEAAMPH-GOSISDBHSA-N 432.561 3.862 0 40 IHAB COC(=O)c1cccc(NC(=O)[C@@H](C)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)c1C 220363277 VJRSMQMXTNTYJI-CQSZACIVSA-N 438.933 3.537 0 40 IHAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)Nc3cccc(OC(C)C)c3)s2)c1 222747996 UJHZPGSOLDCLQT-UHFFFAOYSA-N 432.527 3.687 0 40 IHAB COc1cccc(CN(C(=O)CCc2ccc3c(c2)OCO3)[C@@H](C)C(=O)NC(C)(C)C)c1 223055794 WKFOFRSRHSOSTP-KRWDZBQOSA-N 440.540 3.689 0 40 IHAB CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccc(CC)cc1 223069959 ICXPOPQBJVKEHZ-MRXNPFEDSA-N 447.373 3.944 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccccc2)c2ccccc2C)cc1 223541187 DVDDEYHKESWZSS-UHFFFAOYSA-N 438.549 3.694 0 40 IHAB Cc1ccccc1OCCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 223899825 MEGPKTDSNRGLJT-UHFFFAOYSA-N 442.512 3.525 0 40 IHAB Cc1ccc(C)c(OCCNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c1 224015109 DQMJLDGFDDGPJQ-UHFFFAOYSA-N 430.551 3.975 0 40 IHAB CCOCCCNC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1Cl 224067410 UNRCTVAMFUKFHL-UHFFFAOYSA-N 431.341 3.951 0 40 IHAB CCc1ccc(N(CCCC(=O)NCCOc2ccc(C)cc2C)S(C)(=O)=O)cc1 224747740 RYGYOEYBCWUHMC-UHFFFAOYSA-N 432.586 3.607 0 40 IHAB COc1ccccc1NC(=S)NC1CCN(Cc2cc(OC)c(OC)c(OC)c2)CC1 225228199 YEAJAKVWZGQTJU-UHFFFAOYSA-N 445.585 3.672 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)C1(c2ccccc2)CCCC1 225456065 VZGQAXIKHMKJSP-UHFFFAOYSA-N 428.554 3.930 0 40 IHAB O=C(COc1ccccc1)NC[C@H]1CC[C@H](c2ccnc3nc(C(F)(F)F)nn32)CC1 257284329 PCGBDYNJONBPEO-SHTZXODSSA-N 433.434 3.612 0 40 IHAB Cc1cc(C)nc(Nc2cncc(C3CCN(C(=O)COc4ccc(F)cc4)CC3)n2)n1 257284911 PEUYUFJMEDUVHQ-UHFFFAOYSA-N 436.491 3.551 0 40 IHAB COc1ccc(C)cc1N([C@@H](C)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2)S(C)(=O)=O 260914840 BSIGLBBFHOOURX-MSOLQXFVSA-N 444.597 3.914 0 40 IHAB CC(C)n1nccc1[C@@H]1CN(Cc2ccncc2)C[C@]12CCCN(Cc1ccccn1)C2=O 306144140 YXCQBAINOFEBNZ-JYFHCDHNSA-N 444.583 3.662 0 40 IHAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccccc3C(=O)OC)o2)C1=O 409008703 AQKURFNBNJNPOJ-PBSOMRJOSA-N 429.450 3.721 0 40 IHAB C[C@H]1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2nnc(O)c3ccccc23)c1 519105883 IXVYMZZLINWTNP-AWEZNQCLSA-N 437.475 3.540 0 40 IHAB CCCN1CCN(C(=O)c2cnc[nH]2)C[C@H](Cc2ccccc2-c2ccc(C)cc2)C1=O 585183582 DMSNIDMCDKBHNL-QFIPXVFZSA-N 430.552 3.938 0 40 IHAB CCn1nc(C(=O)N2CCC3(CCCCCOc4ccccc4C(=O)NC3)CC2)cc1C 643558215 LYOUGZCDFQSMAI-UHFFFAOYSA-N 438.572 3.817 0 40 IHAB C[C@H](CNC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1)c1ccncc1 674191160 WMKJVLHZZLNPHH-KZNAEPCWSA-N 430.574 3.673 0 40 IHAB COc1ccc(Br)cc1C1(C(=O)N[C@@H](C)c2nc(C(F)(F)F)n[nH]2)CC1 1157232380 DEBUTMBMKDNHNQ-QMMMGPOBSA-N 433.228 3.504 0 40 IHAB CCCOC(=O)COc1ccc2cc(-c3cc(=O)oc4cc(OC)ccc34)c(=O)oc2c1 2135556 JUZKDZNQATZRIE-UHFFFAOYSA-N 436.416 3.907 0 40 IHAB biogenic Cc1ccccc1-n1c(SCC(=O)Nc2ccc(C(N)=O)cc2)nc2ccccc2c1=O 2633561 HGVCPPOYLHJZDZ-UHFFFAOYSA-N 444.516 3.524 0 40 IHAB Cc1cc(C)c(Cn2c(=O)n(CCCC(=O)NC3CCCC3)c(=O)c3ccccc32)c(C)c1 2687329 UDRQNTATLZLIFJ-UHFFFAOYSA-N 447.579 3.976 0 40 IHAB CCOCCCn1c(SCC(=O)Nc2cccc(OC)c2)nc2ccccc2c1=O 2973447 PNQBGWCSFZZUGX-UHFFFAOYSA-N 427.526 3.563 0 40 IHAB O=C(CCCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)NCc1cccc(Cl)c1 2975228 TUZWGYUMWLYWJW-UHFFFAOYSA-N 431.901 3.538 0 40 IHAB Nn1c(SCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)nnc1-c1cccs1 3313524 FYPZSMZZKAQWIM-UHFFFAOYSA-N 432.531 3.714 0 40 IHAB CCOc1ccccc1-n1nnnc1SCC(=O)NCc1ccc(Cl)cc1Cl 3496768 RSTCNXFUNBNMCM-UHFFFAOYSA-N 438.340 3.776 0 40 IHAB CC(C)(C)NC(=O)[C@@H](c1ccco1)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21 6074638 FYIJWWNSWWVSHO-HSZRJFAPSA-N 445.523 3.709 0 40 IHAB COc1ccc(NC(=O)N(Cc2cc3cc(OC)ccc3[nH]c2=O)C[C@H]2CCCO2)cc1 8681749 MPGZBWQAZCJJJT-OAQYLSRUSA-N 437.496 3.758 0 40 IHAB Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)N2CCN(C(=O)C3CC3)CC2)c1 8880227 MIZBTMHFNXUTTP-UHFFFAOYSA-N 432.499 3.681 0 40 IHAB Cc1cccc(NC(=O)Cn2cnc3c(sc4nc5c(cc43)COC(C)(C)C5)c2=O)c1 9010499 GHCXYZCPISDMDH-UHFFFAOYSA-N 434.521 3.805 0 40 IHAB CC(C)(C)c1ccc(C(=O)NCCn2ncc3c(=O)n(Cc4cccc(F)c4)cnc32)cc1 9016639 IGHJDMTXOWBDEI-UHFFFAOYSA-N 447.514 3.508 0 40 IHAB O=C(O)C[C@@]1(C(=O)NCc2ccccc2)CC(c2ccccc2OCc2ccccc2)=NO1 9059001 PBWIMMYVNJXURQ-AREMUKBSSA-N 444.487 3.920 0 40 IHAB CCOc1ccc([C@@H]2Nn3c(nnc3-c3ccccc3)S[C@@H]2C(=O)N(CC)CC)cc1 9238471 TZJCQTPOHJIBBK-PMACEKPBSA-N 437.569 3.971 0 40 IHAB O=C(COc1ccccc1)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2 9569433 XTKDXTKZHGAHNV-UHFFFAOYSA-N 440.496 3.985 0 40 IHAB CCOC(=O)c1c(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)sc2c1CC[C@@H](C)C2 10284462 UHAHTAJOLLXSJA-SECBINFHSA-N 444.340 3.552 0 40 IHAB Cc1cccc(-n2ncc3c(=O)n(CC(=O)Nc4cccc(C(F)(F)F)c4)cnc32)c1C 12237793 HLYULRSXHNIRGK-UHFFFAOYSA-N 441.413 3.857 0 40 IHAB Cc1ccc(NC(=O)CSc2nnc(CSc3nc(C)cc(C)n3)n2C)c(C)c1 12494454 PNDIURFMTSMDDY-UHFFFAOYSA-N 428.587 3.862 0 40 IHAB CCN(CC(=O)NCc1ccc(F)cc1)C[C@H](O)COc1ccc(OC)cc1C(C)(C)C 12549782 ITSSKZPECJHWME-FQEVSTJZSA-N 446.563 3.510 0 40 IHAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CSc1nnnn1Cc1cccs1 12695391 TZDXFMYIXAPEJO-LBPRGKRZSA-N 430.584 3.704 0 40 IHAB Cc1ccc(-c2nc(CN3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)co2)c(C)c1 12823606 YMBOHAOFDQFVPO-UHFFFAOYSA-N 429.517 3.604 0 40 IHAB Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 12898014 KHBXLCPAKFZUAO-ZDUSSCGKSA-N 448.317 3.528 0 40 IHAB CCN(CC)C(=O)CSc1nc2sc3c(c2c(=O)n1C[C@H]1CCCO1)CC[C@H](C)C3 12906403 WRSWIVSNKNJFMW-LSDHHAIUSA-N 449.642 3.722 0 40 IHAB O=C(Nc1ccc(CNC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)cc1)c1ccco1 12999709 PCGBABYLVCHTPU-QGZVFWFLSA-N 437.521 3.762 0 40 IHAB O=C(C[C@H]1SC(NC2CC2)=NC1=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 13102147 ADGSHQWNLTUDRG-QGZVFWFLSA-N 427.913 3.650 0 40 IHAB COc1ccc(CC[C@]2(C)NC(=O)N([C@@H](C)C(=O)Nc3ccc(Cl)cc3)C2=O)cc1 13164962 CKDLHFROIRVICL-FPTDNZKUSA-N 429.904 3.619 0 40 IHAB O=C(CCCN1C(=O)c2ccccc2C1=O)NCCSCc1c(F)cccc1Cl 13717346 JSKKVCTZGNZIBJ-UHFFFAOYSA-N 434.920 3.905 0 40 IHAB CCn1c(SCC(=O)Nc2nncs2)nnc1[C@@H](C)Oc1ccc(F)cc1Cl 13875716 ZYHDUSJXJLDWJX-SECBINFHSA-N 442.929 3.813 0 40 IHAB C[C@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(-n2cncn2)cc1 15554317 RYFRYAJHWTZMSE-KRWDZBQOSA-N 447.520 3.559 0 40 IHAB O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)Nc1ccccc1C(=O)Nc1ccccc1 16694666 IWAVGTKZIIWKHZ-UHFFFAOYSA-N 441.443 3.576 0 40 IHAB COc1ccc(/C=C/c2nc3s/c(=C\c4ccc(SC)cc4)c(=O)n3n2)cc1OC 16742155 IHVVVNIYHGHQME-UZYLVVNOSA-N 437.546 3.608 0 40 IHAB O=c1c2cnc(SCc3ccc(Br)cc3)nc2nc(O)n1-c1ccccc1 16994232 ALUURAWUNAHDSC-UHFFFAOYSA-N 441.310 3.936 0 40 IHAB CCc1nnc2sc(-c3ccc(CNC(=S)NC(=O)c4cccc(C)c4)cc3)nn12 17100581 PGSRWHAPRIUOOX-UHFFFAOYSA-N 436.566 3.528 0 40 IHAB Cc1cc2c(cc1C(=O)c1ccco1)N(CC(=O)NCc1ccccc1)C(=O)C(C)(C)O2 19124965 VSNGKAFORJTXTD-UHFFFAOYSA-N 432.476 3.639 0 40 IHAB Cc1cccc(-c2ccc(C[C@]3(C(=O)N(C)C)CN(C(=O)c4cccnc4)CCO3)cc2)c1 19235376 GNEYCCFDLMNUFN-HHHXNRCGSA-N 443.547 3.599 0 40 IHAB CN(C)c1cc([C@@H](Cc2ccccc2)NC(=O)Cc2cccnc2)nc(-c2cccnc2)n1 19584348 VTXOVMZNLMIMLF-JOCHJYFZSA-N 438.535 3.642 0 40 IHAB CNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CCCN(C(=O)COc2ccccc2)C1 19591119 AKSCWWISLZDEPM-MHZLTWQESA-N 443.547 3.725 0 40 IHAB CC(C)NC(=O)c1sc2ncccc2c1[C@H]1CN(C(=O)c2cc(C3CC3)on2)CCO1 19702865 XRQOKVASRXZMPA-QGZVFWFLSA-N 440.525 3.514 0 40 IHAB CN(C)C(=O)c1cc([C@@H]2CN(C(=O)c3ccc4ncccc4c3)CCO2)nc2ccccc12 19759584 KOVJNPUGVRAYLN-DEOSSOPVSA-N 440.503 3.699 0 40 IHAB O=C(Nc1ccc(F)cc1F)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 20007905 VVNUEYKRHMQHJL-FQEVSTJZSA-N 434.439 3.632 0 40 IHAB Cc1ccc([C@@H](c2nnnn2CCc2ccccc2)N2CCN(C3CCCC3)CC2)cc1 20142231 MJMKYGVKACMINZ-VWLOTQADSA-N 430.600 3.874 0 40 IHAB O=C(Nc1nnc(SCc2cc(=O)n3c4c(sc3n2)CCCC4)s1)c1ccco1 20984448 ICTIMRVPSGTQEF-UHFFFAOYSA-N 445.551 3.624 0 40 IHAB CC(=O)Nc1ccc(C)cc1-c1nnc(SCC(=O)Nc2cc(C)cc(C)c2)nc1O 21882692 GTZRYAZYPUSLIB-UHFFFAOYSA-N 437.525 3.859 0 40 IHAB COc1ccc2nc(N(CCN3CCOCC3)C(=O)CCc3ccccc3)sc2c1 22998446 AFAHCJZCBAXKHA-UHFFFAOYSA-N 425.554 3.603 0 40 IHAB O=C(NCCOc1ccccc1)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 23135768 SJCAKRAZYONTQV-UHFFFAOYSA-N 430.913 3.950 0 40 IHAB O=C1COc2ccc(Cl)cc2N1CC(=O)N(Cc1ccc2c(c1)OCO2)C1CCCC1 23455837 KWVHGWLYMUIBHB-UHFFFAOYSA-N 442.899 3.766 0 40 IHAB CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(SC)c(C(=O)N2CCCC2)c1 26114577 GERXKBIZWCDWHZ-UHFFFAOYSA-N 448.566 3.622 0 40 IHAB COC(=O)C[C@@]1(C(=O)OC)SC(Nc2ccccc2)=NN1c1nc2ccccc2s1 27586388 VOFZLBGHCLVGSQ-FQEVSTJZSA-N 442.522 3.665 0 40 IHAB CC(C)c1noc([C@H](C)N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)n1 27767116 WTEDXNIOXRPPRX-LBPRGKRZSA-N 433.361 3.567 0 40 IHAB CCc1ccc(N(CC(=O)N[C@@H](CC(C)C)c2ccc(OC)cc2)S(C)(=O)=O)cc1 30864336 WIRBYLGMKBHSLC-QFIPXVFZSA-N 432.586 3.927 0 40 IHAB CC(C)Oc1cccc(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 30940463 RWKONZRIGIJRHL-LJQANCHMSA-N 438.933 3.683 0 40 IHAB CC(C)c1cc(I)ccc1NC(=O)COC(=O)c1ccccc1N 32124946 DLAZABAMMVZTCT-UHFFFAOYSA-N 438.265 3.792 0 40 IHAB CCOc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3cccnc3)c(OC)c2)cc1 32833730 HFHVXNZEZYCIFS-UHFFFAOYSA-N 427.482 3.542 0 40 IHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1sc(NC(=O)c2ccco2)cc1C 32868862 QWLCKQZSYKPJKQ-UHFFFAOYSA-N 444.465 3.958 0 40 IHAB Cc1cc2nc(COC(=O)c3cccc(NC(=O)c4ccc(F)cc4)c3C)cc(=O)n2o1 41089613 JRUZBXNOMFMDKT-UHFFFAOYSA-N 435.411 3.653 0 40 IHAB CCOc1ccc(N(CC(=O)N[C@@H](CC(C)C)c2ccc(OC)cc2)S(C)(=O)=O)cc1 44843433 XNDZJBDGMYSSDY-QFIPXVFZSA-N 448.585 3.764 0 40 IHAB COCCCn1cnc2c(-c3ccccc3)cn(CC(=O)NCc3ccc(C)cc3)c2c1=O 48989188 GNARJXBBYRHUKL-UHFFFAOYSA-N 444.535 3.526 0 40 IHAB O=C(Cn1c(=O)n(Cc2ccccc2Cl)c(=O)c2sccc21)Nc1ccccc1F 57486415 XZSYSELPTZEMIN-UHFFFAOYSA-N 443.887 3.704 0 40 IHAB COc1ccc(Cl)cc1NC(=O)Cn1c(=O)n(CCC(C)C)c(=O)c2ccccc21 57526213 LBAQDAXKDKMHQU-UHFFFAOYSA-N 429.904 3.510 0 40 IHAB C[C@@H](c1ccccc1)N(C)C(=O)CSc1nc(O)cc(=O)n1-c1ccc(Cl)cc1 58172172 GSIDSZARPCTESS-AWEZNQCLSA-N 429.929 3.903 0 40 IHAB O=C(COc1cc(Cl)ccc1Cl)NC[C@H](O)COc1ccc(C(F)(F)F)cc1 60035184 NRKXUGNEDNPOEC-ZDUSSCGKSA-N 438.229 3.947 0 40 IHAB CCN(Cc1ccccc1)C(=O)Cn1c(=O)cc(-c2nc(C3CC3)no2)c2ccccc21 67317934 SPIGQGCJHQEKMJ-UHFFFAOYSA-N 428.492 3.978 0 40 IHAB CS[C@H]1CCC[C@@H](NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2O)C1 78814770 ZUOSSOYNHKRFCR-OCCSQVGLSA-N 426.585 3.659 0 40 IHAB Cc1ccc(OCC(=O)NCCOc2ccc(Cl)cc2)c(C(=O)Nc2ccncc2)c1 79024250 RBJZPSDINZKAPQ-UHFFFAOYSA-N 439.899 3.870 0 40 IHAB CC(=O)N[C@H]1CCCN(C(=O)COc2ccc(-c3ccc(Br)cc3)cc2)C1 84752992 DSIDFLXZNQQVDA-IBGZPJMESA-N 431.330 3.622 0 40 IHAB CSc1nnc(NC(=O)CCc2nc(CSc3nc4ccccc4o3)no2)s1 95481919 MQIXUHUYFCYQDV-UHFFFAOYSA-N 434.528 3.648 0 40 IHAB CC(C)NC(=O)C[C@H]1CC2(CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c2ccccc21 96241954 IGSUOVZALHJPEW-IBGZPJMESA-N 434.536 3.991 0 40 IHAB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccccc3)N2S(=O)(=O)c2ccc(C)cc2)cc1 98086474 KONAWPLBZBEDLR-OJSMNCEXSA-N 427.547 3.849 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(C)ccc3n2CC)cc1 100820986 CKVUUWWFZYIBGG-DQRAZIAOSA-N 431.583 3.803 0 40 IHAB O=C(Nc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1)Nc1nnc(C(F)(F)F)s1 100848446 ZYOHRUPNVHUMDI-VDUILEQBSA-N 449.414 3.512 0 40 IHAB CC[C@H](C)Oc1ccc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1Cl 107703937 TZFARYHRMLIKGC-KPENOIPVSA-N 432.860 3.990 0 40 IHAB O=C1Nc2ccc(Br)cc2/C1=C1\SC(=O)N(CC(=O)c2ccccc2)C1=O 197485830 LODWDKNAOZBKTQ-FOCLMDBBSA-N 443.278 3.691 0 40 IHAB O=C(COc1ccc(Br)cc1C(=O)O)Nc1ccc(Br)cc1 217718572 CMFGYCNBLQJODJ-UHFFFAOYSA-N 429.064 3.927 0 40 IHAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 219259336 CSTAIHGYYCCUSH-WMZOPIPTSA-N 448.610 3.876 0 40 IHAB CCOc1ccc(CNC(=O)[C@@H](CC)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 220740184 UROLZWDLKQWEFS-HXUWFJFHSA-N 438.977 3.908 0 40 IHAB Cc1cc(C)cc(N(CCCC(=O)N[C@@H](C)COc2ccccc2C)S(C)(=O)=O)c1 222574968 TVSDLQXNMFZESL-FQEVSTJZSA-N 432.586 3.742 0 40 IHAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1C 222885827 SRMDCFCWCCLAQW-RUZDIDTESA-N 430.548 3.932 0 40 IHAB COc1ccccc1[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 222913031 SIVPPWURXIOWRN-PZJWPPBQSA-N 444.597 3.547 0 40 IHAB CC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccc2c(c1)OCO2 223191648 FOHVCJVPFJLJOB-QHCPKHFHSA-N 448.494 3.831 0 40 IHAB CS(=O)(=O)N(CC(=O)NCC1CCCCC1)c1cc(C(F)(F)F)ccc1Cl 223711500 XSZIYFCYGBQKOX-UHFFFAOYSA-N 426.888 3.821 0 40 IHAB Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)NCCN(C)c2ccccc2)c1 224126307 XATNLTVOKSAJIZ-UHFFFAOYSA-N 437.565 3.686 0 40 IHAB Cc1ccccc1OCCNC(=O)CCCN(c1ccc(OC(C)C)cc1)S(C)(=O)=O 224906190 FXYWEZQMPARZQY-UHFFFAOYSA-N 448.585 3.524 0 40 IHAB CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CSCc1ccccc1 225442488 UYDFHQSJTHKEIE-OAHLLOKOSA-N 435.387 3.846 0 40 IHAB O=C(Cn1cnc2ccccc21)N1CCC(N2CCC[C@H]2COCc2ccccc2)CC1 225631213 XJEITTHDJFIAMS-QHCPKHFHSA-N 432.568 3.709 0 40 IHAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc2c(c1)OCO2 225691957 IRXLUFMDXKHFDZ-QGZVFWFLSA-N 428.504 3.677 0 40 IHAB S=C(NCc1cccnc1)Nc1nc(N2CCCC2)cc(N2CCc3ccccc3C2)n1 225939529 OCXOLPPGXHJSPA-UHFFFAOYSA-N 445.596 3.521 0 40 IHAB CNc1cc([C@H](Cc2c[nH]c3ccccc23)NC(=O)Cc2cccnc2)nc(C2CC2)n1 257218474 DDGOSCBTRQCNHX-NRFANRHFSA-N 426.524 3.915 0 40 IHAB CN(C)CCOc1ccccc1C(=O)N1CCC[C@H](c2cccc(Nc3cnccn3)n2)C1 257221486 DPFJIENUSVJBOO-IBGZPJMESA-N 446.555 3.575 0 40 IHAB COc1ccc(CCNC(=O)[C@@H]2CN(C)C[C@@H]2c2cccc(CN3CCCCC3)c2)cc1 257272552 NCVVLVPLSQZEEH-CLJLJLNGSA-N 435.612 3.685 0 40 IHAB Cc1cccc(C(C)C)c1NS(=O)(=O)c1ccc(O[C@H](C)C(=O)N2CCOCC2)cc1 408594790 PHPKSPKJWMQXEI-GOSISDBHSA-N 446.569 3.545 0 40 IHAB C[C@H](NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1)c1ccccc1 408668549 MCBSEOORCZJRDW-DZGCQCFKSA-N 435.307 3.767 0 40 IHAB COc1ccc(C(=O)N2CCC(C(=O)Nc3cccc(Br)c3)CC2)cc1OC 408969317 LPXYEEPJAFHAON-UHFFFAOYSA-N 447.329 3.957 0 40 IHAB CCOc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3cccc(C)c3)[C@@H]2c2ccc(C)cc2)cc1 409058025 RPTRZUCJEXACFA-JLUQKLKGSA-O 442.539 3.718 0 40 IHAB C[C@@H](NC(=O)c1ccccc1Cl)c1nnc(SCC(=O)Nc2ccccc2F)n1C 409341355 ACTYXEQSVAOVFO-GFCCVEGCSA-N 447.923 3.829 0 40 IHAB Cc1nn(CC(=O)Nc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)c(C)c1Cl 615920683 AQECBHCAXXQBBE-UHFFFAOYSA-N 438.981 3.745 0 40 IHAB Cc1ccc(NC(=O)C[C@H]2Cn3c(nc4ccccc43)N(Cc3ccccn3)C2=O)cc1 1548338276 YPTYGYKVUAQQPA-SFHVURJKSA-N 425.492 3.932 0 40 IHAB Cc1ccccc1[C@@H](CC(=O)N1CCc2ccccc2[C@@H]1C(=O)OC(C)(C)C)NC(N)=O 1641824258 VLJPKLHGUSEBEN-IFMALSPDSA-N 437.540 3.562 0 40 IHAB O=C(Cc1cccc(F)c1)N1CCC(c2n[nH]cc2C(=O)N2CCc3ccccc3C2)CC1 1848351746 XKBHKDMAIIARNU-UHFFFAOYSA-N 446.526 3.696 0 40 IHAB CCOC(=O)Cc1csc(NC(=O)CSc2nc(C3CC3)nc3ccccc23)n1 1332640 PQXXHVSDIGVARE-UHFFFAOYSA-N 428.539 3.800 0 40 IHAB Cc1cc(O[C@H](C)C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c2c3c(c(=O)oc2c1)CCC3 2108412 WMFXLMDQUNVGID-RYUVBPIJSA-N 425.525 3.511 0 40 IHAB biogenic CCN(CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(OC)c1OC 2400474 PZPGBUWEXDLINY-NRFANRHFSA-N 436.508 3.697 0 40 IHAB COC(=O)COc1cccc([C@@H]2Nc3ccccc3S(=O)(=O)N2Cc2ccccc2)c1 2486246 SJWXPNZVTDFPTC-HSZRJFAPSA-N 438.505 3.554 0 40 IHAB COc1ccc(OC)c(/C=C/C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)c1 3265960 WOEHXRQKBPCDRQ-ZZXKWVIFSA-N 444.793 3.966 0 40 IHAB CCOc1ccc2nc(SCC(=O)N3Cc4ccccc4C[C@@H]3C(=O)O)sc2c1 3298221 XQHMLPFTPHUSLM-QGZVFWFLSA-N 428.535 3.825 0 40 IHAB Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CCCC3)cc2c1 6300822 CUOMHDUCJMTDGF-QFIPXVFZSA-N 432.503 3.504 0 40 IHAB CC(C)c1ccccc1-n1ccnc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1 8708412 LBNGHZJHCZJHPQ-UHFFFAOYSA-N 438.553 3.665 0 40 IHAB CC(C)[C@@H](NC(=O)N1CC(O)=Nc2ccccc21)C(=O)NCCc1c[nH]c2ccccc12 8769406 NECKCAQRKTUACT-JOCHJYFZSA-N 433.512 3.669 0 40 IHAB biogenic CCc1ccc(NC(=O)c2ccccc2NCC(=O)N2CC(=O)Nc3ccccc32)cc1 9216618 RDEFHHDWSBPGPY-UHFFFAOYSA-N 428.492 3.899 0 40 IHAB C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1=O 9222631 JCDDZGPMECFHSA-RUZDIDTESA-N 437.515 3.954 0 40 IHAB COc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2cccc(C)c2)cc1Cl 9238570 FALAYEGCSNZECF-ZWKOTPCHSA-N 429.933 3.955 0 40 IHAB COc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2ccccc2OC)cc1Cl 9238584 CMCAZZGIYRUFJO-QZTJIDSGSA-N 445.932 3.655 0 40 IHAB CCCc1nnc2n1N[C@H](c1ccc(OC)cc1)[C@@H](C(=O)Nc1ccccc1OC)S2 9295130 OLWMFSFCFAQUDG-UXHICEINSA-N 439.541 3.646 0 40 IHAB O=C(NCC(=O)N1CCN(c2ccccc2)CC1)c1ccc2noc(-c3ccccc3)c2c1 9423618 OMJKUNQHZJMFCZ-UHFFFAOYSA-N 440.503 3.573 0 40 IHAB COc1cc(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)cc(OC)c1Br 9711263 SHPZVWAPQFILGI-UHFFFAOYSA-N 444.289 3.707 0 40 IHAB Cc1ccc(C2=NN(C(=O)Cn3cnc4sc5c(c4c3=O)CCC5)[C@@H](c3ccco3)C2)o1 9955822 QSSJRGRDYFIXCM-MRXNPFEDSA-N 448.504 3.819 0 40 IHAB COC(=O)[C@H](CC(C)C)NC(=O)C[C@@H](C)CC(=O)Nc1cccc(Br)c1 10038551 QIXAMARBBVHFKX-BBRMVZONSA-N 427.339 3.508 0 40 IHAB CC(C)c1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Br)cc2)cc1 10041589 ZMPYOHCHTWKVNF-ZDUSSCGKSA-N 425.348 3.878 0 40 IHAB O=C(c1cccc(S(=O)(=O)NCc2ccccc2)c1)N1CCC[C@@H](C(F)(F)F)C1 10290852 XDFDAVZFNOYQLE-QGZVFWFLSA-N 426.460 3.580 0 40 IHAB COc1ccc(N([C@H](C)C(=O)N[C@H](C)CCc2ccccc2)S(C)(=O)=O)cc1Cl 10328740 IARZHWAVSVYDOV-HZPDHXFCSA-N 438.977 3.641 0 40 IHAB COC(=O)C1=C(C)N(c2cc(C)ccc2C)C(=S)N[C@@H]1c1cc(OC)c2c(c1)OCO2 10360129 HOCCFAFPYHKHKI-HXUWFJFHSA-N 440.521 3.924 0 40 IHAB CCOc1ccccc1N(CC(=O)N1CCc2ccccc21)S(=O)(=O)c1ccccc1 10449044 PMFFEKPJHPYECB-UHFFFAOYSA-N 436.533 3.870 0 40 IHAB Cc1ccc(S(=O)(=O)c2[nH]c(-c3ccccc3)nc2SCC(=O)NC(C)C)cc1 11027491 ZQPOATBXZRTNLQ-UHFFFAOYSA-N 429.567 3.835 0 40 IHAB Cc1nn(C)c(C)c1NC(=O)CN1N=C(c2ccccc2)Cn2c(cc3sccc32)C1=O 12132793 VFAKURQHACKTJS-UHFFFAOYSA-N 446.536 3.552 0 40 IHAB COc1ccccc1O[C@@H](C)C(=O)N1CCC(c2nc3ccccc3cc2C(N)=O)CC1 12219665 NDVHJQAZEJIGOE-INIZCTEOSA-N 433.508 3.516 0 40 IHAB CC(C)C(=O)N1CCCc2cc(-c3csc(N(C)C(=O)CN4CCCC4)n3)ccc21 12220033 SNEBCBCNSJKMMQ-UHFFFAOYSA-N 426.586 3.804 0 40 IHAB COc1ccc(OC)c([C@@H]2c3cccn3CCN2S(=O)(=O)c2ccc(OC)c(C)c2)c1 12361749 GUYSEPGUTUZBNP-HSZRJFAPSA-N 442.537 3.616 0 40 IHAB COC(=O)[C@]1(C(F)(F)F)N=C2Sc3cc(Cl)ccc3N2C(N2CCCCC2)=N1 12417420 LZGGEGWUPXOOJP-MRXNPFEDSA-N 432.855 3.895 0 40 IHAB CC1=C(C(=O)N2CCOCC2)[C@@H](c2c(F)cccc2F)NC(=S)N1c1ccc(F)cc1 12554420 MWOKWTGBJOLZHI-FQEVSTJZSA-N 447.482 3.673 0 40 IHAB Cc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)CCCC3)cc1S(=O)(=O)N(C)C 12767640 NHHNBEPIYCCDIH-UHFFFAOYSA-N 428.554 3.726 0 40 IHAB COc1cc(CC(=O)N(CC(=O)Nc2ccccc2)c2ccccc2)cc(OC)c1OC 12816137 DHOIYDFRBMQFHQ-UHFFFAOYSA-N 434.492 3.927 0 40 IHAB Cc1cc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)ccc1Br 12845312 VCKGMTDMDDIJFX-UHFFFAOYSA-N 437.359 3.797 0 40 IHAB O=C(CSc1ccc2c(c1)OCCO2)NC1(c2ccc3c(c2)OCCO3)CCCC1 12933324 RQDJTQGJQNAZBA-UHFFFAOYSA-N 427.522 3.907 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CCC(=O)N1CCC(c2ccccc2)=N1 13109497 WFRWTFJOGFLXMJ-UHFFFAOYSA-N 443.551 3.864 0 40 IHAB COc1cccc(-n2c(SCC(=O)N3CCCCC3)nc3c([nH]c4ccccc43)c2=O)c1 13468037 KZDDHLKERHDGEN-UHFFFAOYSA-N 448.548 3.980 0 40 IHAB CCOC(=O)c1c(NC(=O)[C@H](C)Sc2ncnc3nc[nH]c23)sc2c1CCCC2 13572738 WRRNDMUDDUHSFC-JTQLQIEISA-N 431.543 3.589 0 40 IHAB COc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccc(F)cc3)c3ccccc32)c(OC)c1 13577235 CNLPWOJEOUOOOK-VWLOTQADSA-N 435.451 3.850 0 40 IHAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 14076464 NYSWDRKCQWQWOU-FQEVSTJZSA-N 425.916 3.800 0 40 IHAB Cc1nn(CC(=O)c2cc(C)n(C3CC3)c2C)c(C)c1S(=O)(=O)N1CCC(C)CC1 14242622 GNBKNUAKHZTJID-UHFFFAOYSA-N 432.590 3.557 0 40 IHAB CC(=O)Nc1ccc2c(COC(=O)/C=C/c3ccc(Br)o3)cc(=O)oc2c1 15276043 BQCZNYUJAOPBLJ-QPJJXVBHSA-N 432.226 3.864 0 40 IHAB Cc1ccc(C)c(C(=O)[C@H](C)OC(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)c1 15613970 LPVFWGDNQAMBAP-OWWADGOUSA-N 428.529 3.555 0 40 IHAB CCS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3ccccc3Br)c2)nn1 15880839 DMTQHXKIMPQBGU-UHFFFAOYSA-N 446.326 3.952 0 40 IHAB O=C(OCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc(Cl)cc1O 19316757 IYXDDPMWXIPQCF-UHFFFAOYSA-N 442.821 3.570 0 40 IHAB COc1cccc(C(=O)N2CC[C@@](Cc3ccc(-c4ccccc4OC)cc3)(C(N)=O)C2)c1 19564152 PZVNKGIKNKVTOM-MHZLTWQESA-N 444.531 3.931 0 40 IHAB COc1ccc(C(=O)N2CC[C@@](Cc3ccc(-c4ccsc4)cc3)(C(=O)N(C)C)C2)cn1 19580103 OSQBSBCJVVROMS-VWLOTQADSA-N 449.576 3.982 0 40 IHAB COc1ccccc1CCC(=O)N1CCC[C@@H]1c1nc(C)ncc1C(=O)N1CCCCC1 19766756 PAZAMXMXAXSKQU-OAQYLSRUSA-N 436.556 3.716 0 40 IHAB COc1cc(NC(=S)NC(=O)c2cccc(C)c2OC)ccc1-c1ccc(CO)o1 20153402 GGQIPJKKGBTNEA-UHFFFAOYSA-N 426.494 3.891 0 40 IHAB COc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)COc1ccccc1C 20153628 AOJXKCMGOVXJKL-UHFFFAOYSA-N 426.494 3.648 0 40 IHAB CC[C@@H](C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cccc(C(F)(F)F)c1 22350884 XRBJVONKCSGORY-OAHLLOKOSA-N 428.476 3.811 0 40 IHAB O=C(NC[C@@H](c1ccsc1)N1CCc2ccccc2C1)C(=O)Nc1cc(F)ccc1F 22766776 PFYXQDZUKHBZHG-NRFANRHFSA-N 441.503 3.881 0 40 IHAB Cc1nc2sc([C@H](c3cccs3)N3CCN(Cc4ccccc4)CC3)c(O)n2n1 22876451 KSTAJLUNRIKFHD-SFHVURJKSA-N 425.583 3.774 0 40 IHAB COc1ccc(O[C@H](C)C(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc1 22983094 VQXSMKZFTXUMFY-GOSISDBHSA-N 437.565 3.930 0 40 IHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)OCc2occc2C(=O)OC)cc1 23449145 OMRAGLBOKLVLND-UHFFFAOYSA-N 443.477 3.638 0 40 IHAB COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@@H](CN(C)C)c1ccccc1 24376008 MUKLVMQYUWKVCI-HNNXBMFYSA-N 447.782 3.692 0 40 IHAB O=C(/C=C/c1ccccc1F)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 24496133 FHUJJCGCUUOTCL-JXMROGBWSA-N 426.879 3.887 0 40 IHAB CCSc1nnc(NC(=O)C2(S(=O)(=O)c3cc(C)ccc3C)CCCC2)s1 24765953 KCGQDMZHOFTECU-UHFFFAOYSA-N 425.601 3.992 0 40 IHAB O=C(/C=C/c1ccc(S(=O)(=O)NCc2ccco2)cc1)NCCSc1ccccc1 28669341 MKMHSWZDIPRFPO-JLHYYAGUSA-N 442.562 3.680 0 40 IHAB COc1ccc(N2C[C@@H](C(=O)N[C@@H](CCSC)c3nc4ccccc4[nH]3)CC2=O)cc1 30662921 YTSXTZYJTXTNCI-YWZLYKJASA-N 438.553 3.535 0 40 IHAB O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1nc2ccccc2nc1N1CCCC1 32882947 QFOHCBQSNQOKEI-UHFFFAOYSA-N 444.944 3.686 0 40 IHAB CC(=O)c1ccccc1NC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccc(C)c(C)c1 32957829 JTNJADDOTZOBMI-UHFFFAOYSA-N 440.521 3.929 0 40 IHAB Cn1c(CNC(=O)/C=C/c2ccccc2Cl)nnc1SCC(=O)c1ccccc1 33694249 VRLUPILSLOZGPD-VAWYXSNFSA-N 426.929 3.773 0 40 IHAB Cc1cccc(NC(=O)c2cn(CC(=O)NC3CCCCC3)c3nc(C)ccc3c2=O)c1 49002123 FKGNEBCUJVSLPV-UHFFFAOYSA-N 432.524 3.715 0 40 IHAB O=C(CCC(=O)c1cccs1)NCCC(=O)OCC(=O)C12CC3CC(CC(C3)C1)C2 49580939 MPBFSDBXAVKOPZ-UHFFFAOYSA-N 431.554 3.546 0 40 IHAB O=C(CSc1nc2[nH]ncc2c(=O)n1-c1ccc(F)c(F)c1)Nc1cccc(Cl)c1 51316807 HMFLINDPDUFKTI-UHFFFAOYSA-N 447.854 3.771 0 40 IHAB CCOC(=O)C1CCN(C(=O)CNc2ccc(Br)c(C(F)(F)F)c2)CC1 57531654 SWYCSMQLLYWIAN-UHFFFAOYSA-N 437.256 3.682 0 40 IHAB Cc1ccc(C(=O)N2CCN([C@H](C)c3nc(-c4cccc(C(F)(F)F)c4)no3)CC2)cn1 59003006 DGKRXWIYALNGIS-OAHLLOKOSA-N 445.445 3.978 0 40 IHAB CC(C)c1ccc(N2C(=O)CN(CCc3ccc(Cl)cc3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 63366632 STIBFMCYJADAHC-FGZHOGPDSA-N 447.000 3.520 0 40 IHAB CCOc1ccc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3O2)cc1 64985284 KNZAUJOYHHDCEH-QFIPXVFZSA-N 438.505 3.680 0 40 IHAB Cc1cc(C(=O)N2CCN(C(=O)Nc3cccc(NC(=O)c4ccncc4)c3)CC2)c(C)o1 65535242 ZBGWWTJSYYVDLA-UHFFFAOYSA-N 447.495 3.534 0 40 IHAB CCCCc1ccc(NC(=O)Cn2c(-c3ccc(F)cc3)nc(C)c(CCO)c2=O)cc1 67301065 WCXXYFHGGCBZDH-UHFFFAOYSA-N 437.515 3.874 0 40 IHAB O=C(Cn1c(=O)cc(-c2nc(-c3ccccn3)no2)c2ccccc21)NC1CCCCC1 67318607 OKXYIGUAGBMHKW-UHFFFAOYSA-N 429.480 3.562 0 40 IHAB O=S(=O)(NC[C@@H](O)c1ccc(C(F)(F)F)cc1)c1ccc(OC(F)(F)F)cc1 70640156 OCWPNMVRTVJNHA-CQSZACIVSA-N 429.338 3.616 0 40 IHAB CCCc1noc(-c2ccnc(-n3cnc(C(=O)NCc4ccc(OCC)cc4)c3)c2)n1 71768442 DIONYHGLVMEULD-UHFFFAOYSA-N 432.484 3.599 0 40 IHAB Cc1ccc(C)c(NC(=O)Cc2nc(CN3CCCN(C(=O)C(C)C)CC3)cs2)c1 72309167 GLHAHYQBUNKSJD-UHFFFAOYSA-N 428.602 3.631 0 40 IHAB COc1ccc(-c2cc(-c3cccnc3)n(CCNC(=O)[C@@H]3CCC[C@@H](OC)C3)n2)cc1 72390439 MYNTVJXDICBLAQ-DENIHFKCSA-N 434.540 3.942 0 40 IHAB Cc1ccc(-c2nnc(CCC(=O)N[C@H](C(=O)O)c3ccccc3C(F)(F)F)o2)cc1 95424564 WGGUEWYTGANTDD-SFHVURJKSA-N 433.386 3.939 0 40 IHAB CSCC[C@H](Nc1nc(C)cc(C)n1)C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 95479938 WSIODMUYZBLDLP-IBGZPJMESA-N 449.020 3.791 0 40 IHAB COc1cc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3[C@H]2CCOC(C)(C)C2)cc(OC)c1O 96117734 DNDPYEHOIXWJFG-SCLBCKFNSA-N 433.530 3.915 0 40 IHAB O=C(NCc1ccccc1)[C@@H]1C[C@@]2(CO1)CN(C(=O)c1ccc(F)cc1)c1ccccc12 96262492 DFSSZCYYUHCPPK-OZXSUGGESA-N 430.479 3.829 0 40 IHAB O=C(OCc1cn2cc(Cl)ccc2n1)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 97654836 SCXDHCHARFZRHN-YBFXNURJSA-N 446.854 3.976 0 40 IHAB COc1cccc(CN[C@H](c2cc(O)n3nc(C4CCOCC4)cc3n2)C(C)C)c1OC 100730050 CTXGRNBYJHGAIB-QHCPKHFHSA-N 440.544 3.833 0 40 IHAB Cn1nc(C(=O)NC[C@H]2CC[C@H](c3n[nH]cc3-c3ccncc3)CC2)cc1C(F)(F)F 100744863 UECWFACDSLXSGH-OTVXOJSOSA-N 432.450 3.928 0 40 IHAB COc1ccc(OC)c([C@@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccccc2)c1 101088548 QODSFRKLSWYKOD-SMIHKQSGSA-N 444.487 3.751 0 40 IHAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1nc(-c2cccc(Br)c2)cs1 102267350 JRZWSLDSTGZUOY-KBPBESRZSA-N 448.342 3.686 0 40 IHAB CCn1c(SCC(=O)NC2CCCC2)nnc1[C@@H](NC(=O)c1cccc(C)c1)C(C)C 107919943 LTBQIPVNLPIAMJ-FQEVSTJZSA-N 443.617 3.884 0 40 IHAB CCOc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2c(CC)cccc2CC)C1 111880753 IEZNMCAOWMYTKI-LJQANCHMSA-N 438.524 3.745 0 40 IHAB O=C(CN1C(=O)S/C(=C/c2ccc(O)c(Br)c2)C1=O)Nc1ccccc1 214692954 QITKMQNCUFHCPM-OQLLNIDSSA-N 433.283 3.830 0 40 IHAB CCOC(=O)c1cccc(NC(=O)[C@H](CC)N(c2ccc(Cl)cc2)S(C)(=O)=O)c1 219107792 KHMOMYXGCXQQMI-SFHVURJKSA-N 438.933 3.700 0 40 IHAB Cc1ccc(N(CCCC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)cc1 219627776 BLRCRQMUNMGHBG-HXUWFJFHSA-N 430.570 3.960 0 40 IHAB CCc1ccc(N([C@H](C)C(=O)NCCSc2ccc(Cl)cc2)S(C)(=O)=O)cc1 220266984 LHSZSRZZPHTCAQ-OAHLLOKOSA-N 441.018 3.965 0 40 IHAB COc1ccc(N(C)C(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1 222561964 ZCGVXSWNDJJBRC-UHFFFAOYSA-N 438.549 3.912 0 40 IHAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 222590931 AAZFGHUPQRXQSY-HXUWFJFHSA-N 428.554 3.957 0 40 IHAB COc1ccc(N(C)C(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1 222716905 AJEFVXVCICLKEZ-UHFFFAOYSA-N 444.484 3.677 0 40 IHAB COc1cc(C)c([C@H](C)NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1C(C)C 223381994 NQTZVBDJGJQIFJ-SFHVURJKSA-N 432.586 3.766 0 40 IHAB Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)NCCCOC2CCCC2)c1 224126629 DOWXICMQIQDKQP-UHFFFAOYSA-N 430.570 3.899 0 40 IHAB CC[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O 224973020 LFTNRSUGBUBAOK-JOCHJYFZSA-N 445.585 3.869 0 40 IHAB CC(C)(Cc1ccccc1)NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 225517947 ODZCTBRERUHYSV-UHFFFAOYSA-N 429.369 3.897 0 40 IHAB O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CC(n2cc(-c3ccccc3)nn2)C1 238940093 VXDQJOLUKXMZEU-UHFFFAOYSA-N 442.850 3.863 0 40 IHAB C[C@]1(O)C[C@@H](c2ccccc2)C[C@H](O)CCC[C@@H]1CNC(=O)c1ccc(C(=O)O)cc1 257205775 BAMUWEBBKUPXRS-OUMCCJGNSA-N 425.525 3.591 0 40 IHAB Cc1ccc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)N(CC(=O)O)Cc2ccccc2)cc1 257207135 BGMFTKILNBGWCO-DEOSSOPVSA-N 442.515 3.676 0 40 IHAB CCN1CCN(C(=O)c2ccc(COC)cc2)[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O 257221469 DPEAFIJDFTZFFM-VWLOTQADSA-N 443.547 3.811 0 40 IHAB C[C@]1(C2CCN(Cc3ccccc3OCC(=O)O)CC2)CN(c2ccc(F)cc2)C(=O)O1 257240710 HUTUCCMCAGSDMH-XMMPIXPASA-N 442.487 3.917 0 40 IHAB CC(C)n1nccc1[C@@H]1CN(Cc2ccoc2)C[C@]12CCCN(Cc1cccnc1)C2=O 306139344 SUZGQITZZNJPKZ-WIOPSUGQSA-N 433.556 3.860 0 40 IHAB CC(C)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1 408601721 GRDSKZSWOXDZTP-ZDUSSCGKSA-N 430.448 3.798 0 40 IHAB CC(C)COC(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 409005364 ZORPLGQDRBNGGY-ZNWBTVJYSA-N 441.572 3.719 0 40 IHAB Cc1cccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccc(F)cc3)[C@@H]2c2ccc(Cl)cc2)c1 409073784 TUNJUACKVGHJOB-MYPDDRRYSA-O 436.894 3.804 0 40 IHAB COc1cc(OC)c(OC)cc1C[C@@H]1SC(=O)N(CCOc2ccc(C)cc2)C1=O 409142891 DVFZRKQTDUXGNG-FQEVSTJZSA-N 431.510 3.706 0 40 IHAB COc1cc(C)c(S(=O)(=O)N2CC[C@@](CO)(Cc3ccc(F)cc3)C2)cc1C(C)C 576022774 VAXPBTCREKHKGC-HSZRJFAPSA-N 435.561 3.882 0 40 IHAB CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Br)[C@@H](c2ccccc2)C1 1184837289 ONPZVRSHHJTVBX-MRXNPFEDSA-N 429.767 3.780 0 40 IHAB COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N3CCCc4ccccc43)cc2c1 782637 DEVOPLIBZCXUMZ-JOCHJYFZSA-N 444.539 3.820 0 40 IHAB COc1cc(C)c(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1C 936472 FPTYOTDFMMQUDR-UHFFFAOYSA-N 428.476 3.842 0 40 IHAB CCOC(=O)c1c(NC(=O)COC(=O)c2ccccc2OC)sc2c1CC[C@H](C)C2 954963 FUVZJVBIPNSUDC-ZDUSSCGKSA-N 431.510 3.854 0 40 IHAB Cc1nn(C)cc1CN(C)C(=O)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 998762 GWXKKGIELCLRKI-UHFFFAOYSA-N 434.447 3.791 0 40 IHAB CSCC[C@H](NC(=O)CCc1c(C)c2cc3c(C)coc3c(C)c2oc1=O)C(=O)O 2103142 OHWOKIOERSCYSO-KRWDZBQOSA-N 431.510 3.720 0 40 IHAB biogenic COc1ccc([C@@H]2C[C@H](c3ccc(Br)cc3)Nc3nc(N)nn32)cc1OC 2365986 YJCLNMFONCIAIZ-CABCVRRESA-N 430.306 3.786 0 40 IHAB COc1ccc(CCn2c(N)c(C(=O)OC[C@H]3CCCO3)c3nc4ccccc4nc32)cc1 2417406 SHDKTUKEYJCUKY-GOSISDBHSA-N 446.507 3.754 0 40 IHAB Cc1cc(C)nc(NC2=NC(=O)C[C@@H](C(=O)O)N2c2ccccc2Sc2ccccc2)n1 2448670 GBHOMURKHSDNNW-SFHVURJKSA-N 447.520 3.903 0 40 IHAB C[C@@H](CCc1ccccc1)NC(=O)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12 3015380 LBJAHKRCDCFHAB-FQEVSTJZSA-N 445.563 3.974 0 40 IHAB CC(C)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1ccco1 3255958 VPQMSOZVJTWGOC-OAQYLSRUSA-N 433.508 3.645 0 40 IHAB O=c1[nH]c2cc3c(cc2cc1CN(Cc1ccco1)C(=S)NCc1ccco1)OCO3 6445920 YGARYQAJYQANOH-UHFFFAOYSA-N 437.477 3.520 0 40 IHAB COc1c(F)c(F)cc2c(=O)c(C(=O)Nc3ccc4c(c3)OCCO4)cn(C3CC3)c12 8991938 MXMUHCBECHUPFT-UHFFFAOYSA-N 428.391 3.647 0 40 IHAB Cc1cc(C)cc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(Cc3ccccc3C)c(=O)n2C)c1 9013671 CGFWNQOHBQQIOU-GOSISDBHSA-N 443.551 3.658 0 40 IHAB COc1ccc(NC(=O)CSc2nnc(-c3ccccc3Br)n2C)cc1 9058300 GUSIXBSKJSZOEB-UHFFFAOYSA-N 433.331 3.984 0 40 IHAB CCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)cc1 9170176 YECWHGNJMZENAZ-UHFFFAOYSA-N 445.541 3.607 0 40 IHAB CCN1C(=O)C(C)(C)COc2ccc(NS(=O)(=O)c3cc(C)c(OC)c(C)c3)cc21 9170762 CZVWGGNWGFCBDP-UHFFFAOYSA-N 432.542 3.884 0 40 IHAB O=C(CSCCN1c2cccc3cccc(c23)S1(=O)=O)Nc1ccc(F)cc1F 9349556 REAJAFRHZWWNCX-UHFFFAOYSA-N 434.489 3.999 0 40 IHAB CCNC(=O)NC(=O)[C@H](C)Sc1nnc(-c2ccccc2OC)n1-c1ccc(C)cc1 9632064 HDBLYXFTJJBEON-HNNXBMFYSA-N 439.541 3.578 0 40 IHAB O=C(CSc1nc2c(oc3ccccc32)c(=O)n1C[C@H]1CCCO1)Nc1nccs1 9751005 AXDSLFYKWXGQEU-GFCCVEGCSA-N 442.522 3.509 0 40 IHAB COc1ccc(NC(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)cn1 9847258 GYSBXZKYLBALHT-UHFFFAOYSA-N 435.864 3.936 0 40 IHAB O=C(NCCC(=O)N(C/C=C/c1ccccc1)c1ccc2c(c1)OCCO2)c1ccco1 9882902 XOIRJQJOXZZRIK-XBXARRHUSA-N 432.476 3.917 0 40 IHAB O=C(COc1cccc(-n2cnnn2)c1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 9949680 WTYHRVIBRCEXLR-FQEVSTJZSA-N 448.870 3.665 0 40 IHAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)[C@@H]1CCCN1C(=O)c1cccs1 9950266 XAZILVKKEKWRDN-SFHVURJKSA-N 435.553 3.976 0 40 IHAB Cc1ccc(NC(=O)CSCC(=O)OCc2cc(=O)oc3cc(O)ccc23)c(C)c1 10022388 YRGHNUCBFAEBEH-UHFFFAOYSA-N 427.478 3.531 0 40 IHAB COC(=O)C1=C(C(=O)c2ccc(Cl)cc2)[C@@H](c2ccc(C(C)C)cc2)n2nnnc2N1 10231947 XYLYHOBODXMPBN-LJQANCHMSA-N 437.887 3.775 0 40 IHAB CC(C)N(Cc1cccc(OC[C@@H](O)CN2CCc3ccccc3C2)c1)Cc1nccn1C 11663927 DKOQHFRKOQNOGJ-VWLOTQADSA-N 448.611 3.629 0 40 IHAB CCn1c(SCC(=O)Nc2cc(Cl)ccc2OC)nc2c(c1=O)S[C@@H](C)C2 11726501 FBPQOFIUSHPVAY-JTQLQIEISA-N 425.963 3.693 0 40 IHAB Cc1cc(C(F)(F)F)n2nc(C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)cc2n1 12160509 CYSZBBLWOBYTCA-UHFFFAOYSA-N 442.438 3.764 0 40 IHAB O=C(Nc1ccc(Br)cc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 12354755 RGODXNJXRNLJEA-LBPRGKRZSA-N 449.779 3.956 0 40 IHAB O=C(CCNS(=O)(=O)c1ccccc1)OCC(=O)c1ccc(C2CCCCC2)cc1 12589469 UVLMONSBWZTCED-UHFFFAOYSA-N 429.538 3.829 0 40 IHAB COc1cccc(NC(=O)Cn2c(=O)c(=O)n(Cc3ccccc3)c3ccc(Cl)cc32)c1 12621131 LVCNGZMILCHWPX-UHFFFAOYSA-N 449.894 3.512 0 40 IHAB C[C@H](NC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)c1ccc(F)cc1F 12790931 IWBHKYORUUQHAL-UKYUDJEDSA-N 434.508 3.855 0 40 IHAB O=C(CN1CCN(C(=O)Nc2ccccc2)CC1)N(Cc1ccccc1)Cc1ccco1 12994451 HWGNZZXUGXCRDI-UHFFFAOYSA-N 432.524 3.658 0 40 IHAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CN1CCC[C@@H](C(=O)OCC)C1 13134461 VDWODXCHPVASFK-QGZVFWFLSA-N 444.553 3.805 0 40 IHAB Cc1cccc(N(CC(=O)NCCC(C)C)C(=O)CCC(=O)Nc2nccs2)c1C 13501918 QXBONYGNSQOHDL-UHFFFAOYSA-N 430.574 3.674 0 40 IHAB O=C(Cn1nc(-c2cccc3ncccc23)oc1=O)NC(c1ccccc1)c1ccccc1 13565821 MGFNGNSUELKJCY-UHFFFAOYSA-N 436.471 3.957 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)N(C(=O)c1ccco1)CC2 13696629 MDSGCKOQXRTIMZ-UHFFFAOYSA-N 432.885 3.945 0 40 IHAB COc1cc(C(=O)NCC(=O)Nc2cccc(C)c2C)ccc1OCc1c(C)noc1C 15534513 RYSGSDSMBKADAX-UHFFFAOYSA-N 437.496 3.864 0 40 IHAB COC(=O)c1ccsc1NC(=O)C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O 16899402 UQTSBOZZJGFHFH-GFCCVEGCSA-N 430.429 3.995 0 40 IHAB CCN1CCN(c2nc(-c3ccc(OC)c(OC)c3)c3c(n2)-c2ccccc2C3=O)CC1 17096970 BSDTZAWADCVOFX-UHFFFAOYSA-N 430.508 3.514 0 40 IHAB CCCCn1c(SCC(=O)NC[C@@H]2CCCO2)nc2c(-c3ccccc3)c[nH]c2c1=O 17271519 CDEPMMLGJKMIPU-KRWDZBQOSA-N 440.569 3.579 0 40 IHAB COc1ccc(CC(=O)N[C@@H](Cc2cc(O)n3nc(C)cc3n2)c2ccccc2)cc1F 19129955 RNSUWXONVHOYCB-FQEVSTJZSA-N 434.471 3.534 0 40 IHAB CC(=O)Nc1ccc(SCC(=O)N(C)c2ccccc2C(=O)NCc2ccco2)cc1 19317117 LHMVDIYWKXJRGB-UHFFFAOYSA-N 437.521 3.923 0 40 IHAB COc1ccc(-c2cc(-c3cccnc3)n(CCNC(=O)Cn3nc(C)c(C)c3C)n2)cc1 19556649 IJDPHQGLXMRYPX-UHFFFAOYSA-N 444.539 3.559 0 40 IHAB COc1cccc(C(=O)N2CCC[C@H](c3cc(N(C)C)nc(-c4cccnc4)n3)C2)c1OC 19584404 KHRWWNOXQNWEHQ-SFHVURJKSA-N 447.539 3.642 0 40 IHAB CNC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2ccc3c(c2)OCCO3)C1 19591707 YTKLUFSBIVIODE-MHZLTWQESA-N 443.547 3.701 0 40 IHAB COc1ccc(-c2cnc(N(C)C)nc2[C@H]2CN(C(=O)Cc3ccc(C)cc3)CCO2)cc1 19692749 POFVLJUQRLUBPQ-HSZRJFAPSA-N 446.551 3.669 0 40 IHAB COc1cccc(-c2ccc([C@@H]3CN(Cc4ccc5c(c4)n(C)c(=O)n5C)CCO3)nc2)c1 19693674 XWNHTGJITWUHFA-VWLOTQADSA-N 444.535 3.521 0 40 IHAB CN(C)c1ncc(-c2cccc(F)c2)c(C2CCN(S(=O)(=O)c3ccccc3)CC2)n1 19695172 TXRNBRPSQMTZIK-UHFFFAOYSA-N 440.544 3.917 0 40 IHAB CNC(=O)c1[nH]c(C2CCN(C(=O)[C@H](C)c3ccccc3)CC2)nc1-c1ccc(OC)cc1 19698871 AOHSWAXRQDAWGD-QGZVFWFLSA-N 446.551 3.955 0 40 IHAB Cn1cc2c(n1)[C@@H](C(=O)NCCc1ccc(F)cc1)CN(Cc1ccc3ncccc3c1)C2 19701243 KYNBOLKZQCOHHC-QHCPKHFHSA-N 443.526 3.566 0 40 IHAB CC(C)(C)c1n[nH]cc1CN1CC[C@H](c2cc(C(=O)N3CCOCC3)c3ccccc3n2)C1 19761943 YMUWBCHEVVTFEW-SFHVURJKSA-N 447.583 3.717 0 40 IHAB C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1)c1ccccc1 20007663 DNWHNNRMRSDFEN-VGOFRKELSA-N 426.513 3.593 0 40 IHAB CCOc1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(F)cc2)cc1 20007986 RKFAQHIBNSWEKO-QFIPXVFZSA-N 442.512 3.753 0 40 IHAB CC(C)C(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)CNC(=O)c2ccc3ccccc3c2)cc1 21252598 BSJNJHZDHHCLKE-QGZVFWFLSA-N 446.503 3.979 0 40 IHAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCN(CCN3CCCC3)CC2)cc1 22781339 QQSAEAMMWCQKPT-UHFFFAOYSA-N 443.595 3.701 0 40 IHAB COc1ccc([C@H](CNC(=O)c2ccccc2C(=O)c2ccccc2)N2CCOCC2)cc1 23934996 KBRUMEKGPKAHCR-VWLOTQADSA-N 444.531 3.730 0 40 IHAB COc1ccc(CNC(=O)[C@@H](C)Nc2ccc(N3CCCC3=O)c(Cl)c2)cc1OC 25065302 QFHBHXXTXASZOA-CQSZACIVSA-N 431.920 3.601 0 40 IHAB Cc1nc(CN2CCN(Cn3nc(C4CC4)n(-c4ccccc4)c3=S)CC2)cs1 30003035 GIPFLAJNEIZDDQ-UHFFFAOYSA-N 426.615 3.821 0 40 IHAB CCN(CC)Cc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 30850338 SMLKBCVIRGGVEN-UHFFFAOYSA-N 443.613 3.709 0 40 IHAB CC(C)n1ncc2cc(NC(=O)c3cn(C)nc3-c3ccc4c(c3)OCCCO4)cnc21 31496931 MNDXZNDXNYYNDQ-UHFFFAOYSA-N 432.484 3.826 0 40 IHAB CC(=O)N1CCc2cc(C(=O)[C@@H](C)n3nnc(-c4cccc(C(F)(F)F)c4)n3)ccc21 31683647 RCFGJLYWXABMLS-GFCCVEGCSA-N 429.402 3.712 0 40 IHAB COC(=O)CCCN(C)C(=O)c1cn(-c2ccc(F)cc2)nc1-c1cccc(OC)c1 32278301 VFOWWRKTWPSNMI-UHFFFAOYSA-N 425.460 3.712 0 40 IHAB Cc1nc(NC(=O)[C@H]2CCCN(C(=O)c3ccoc3)C2)sc1-c1nccn1C(F)F 32764583 USGLEBKJHAZTEE-LBPRGKRZSA-N 435.456 3.794 0 40 IHAB CC(=O)Nc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2ccc(C)cc2C)nc1O 35377918 FTUVRCRAURVDCY-CQSZACIVSA-N 437.525 3.939 0 40 IHAB CC(=O)Nc1ccc(CN2CCC[C@H]2c2nc(-c3ccc(-n4ccnc4)nc3)no2)cc1 35425791 OWLHLSNJLOTZEI-FQEVSTJZSA-N 429.484 3.613 0 40 IHAB biogenic,in-vitro COc1ccc(C)cc1NC(=O)[C@H](Sc1nnc(C(F)(F)F)n1N)c1ccccc1 36640287 UGUMCEASUBGHDT-OAHLLOKOSA-N 437.447 3.800 0 40 IHAB Cc1ccc(Cn2c(=O)c3ccccc3n(Cc3nc(-c4cccc(C)c4)no3)c2=O)cc1 38487323 OSDYXUNMNBONPT-UHFFFAOYSA-N 438.487 3.927 0 40 IHAB CCCCCn1c(=O)c2ccccc2n(Cc2nc(-c3cccc(OCC)c3)no2)c1=O 38653104 SBXTVMGIZBDZBQ-UHFFFAOYSA-N 434.496 3.850 0 40 IHAB O=C(NCc1cccc(CN2CCOCC2)c1)C1CCN(Cc2ccccc2Cl)CC1 38831269 OCTQEOIMCREKAD-UHFFFAOYSA-N 442.003 3.701 0 40 IHAB CCN(CC(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1cc(C)ccc1OC 39985512 UIMWXRRYDGMCQD-UHFFFAOYSA-N 431.341 3.960 0 40 IHAB Cc1ccc(C)c(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc4c(c3)CCC4)c2=O)c1 57492791 CAKVPIZYZDKYBZ-UHFFFAOYSA-N 445.544 3.958 0 40 IHAB COc1ccc(CN2CCC([C@H](NC(=O)CC(C)C)c3ccccn3)CC2)cc1CO 57774004 ZRNQKGITRVAFIG-VWLOTQADSA-N 425.573 3.698 0 40 IHAB Cc1cccc(N2CCN(C[C@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@H](O)[C@H]34)CC2)c1C 61992861 IYVNGAUMUARQSV-OTDWELPKSA-N 438.612 3.710 0 40 IHAB CC[C@@H](C)NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2cc(C(C)(C)C)ccc2O1 64985438 FTJJEJKCNUOKEL-IIBYNOLFSA-N 430.570 3.855 0 40 IHAB Cc1cc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(F)cc2C)no1 67217405 QKRUJELGTGMAFO-UHFFFAOYSA-N 430.486 3.922 0 40 IHAB CC[C@@H]1CCCCN1C(=O)CSc1nc(O)c2c(n1)CCN(Cc1ccc(F)cc1)C2 67291517 PQUAYDBACTZYDN-GOSISDBHSA-N 444.576 3.763 0 40 IHAB CN1CCN(CCN(Cc2ccc(Br)cc2F)C(=O)CC2CCCC2)CC1 72280908 XIRZILJHHYHJGM-UHFFFAOYSA-N 440.401 3.745 0 40 IHAB CCN1CCN(C(=O)Cc2ccccc2OC)[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O 72351884 QAXWBKJXLYGFDQ-DEOSSOPVSA-N 443.547 3.602 0 40 IHAB Cc1ccc(=O)n(CC2(O)C[C@@H]3CC[C@H](C2)N3Cc2cn(C(C)C)c3cc(F)ccc23)n1 72394817 WYNVJAQMQGVUKY-KEVCNVLYSA-N 438.547 3.785 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)N2CCN(Cc3cc(=O)oc4cc(C)c(C)cc34)CC2)c1 89624068 UPMZTJVVZJCKOM-UHFFFAOYSA-N 440.565 3.533 0 40 IHAB COc1cc([C@H]2OC[C@H]3[C@H](c4cc(OC)c(OC)c(OC)c4)OC[C@H]23)cc(OC)c1OC 90525841 HRLFUIXSXUASEX-WGKKAQPQSA-N 446.496 3.813 0 40 IHAB biogenic,in-vitro O=C(O)C[C@@H](CC(=O)Nc1ccc(CC(=O)NCC(F)(F)F)cc1)c1cccs1 90607355 QFKDJVFQNZMKBW-CYBMUJFWSA-N 428.432 3.556 0 40 IHAB Cc1nc2c3ccc(Br)cc3nn2c(C)c1CC(=O)NCCc1ccncc1 95479750 HMJQNQZVCWHECI-UHFFFAOYSA-N 438.329 3.558 0 40 IHAB Cc1cc(Cl)c(NC(=O)[C@@H]2CCCCN2C(=O)c2ccccc2)cc1OCC(=O)O 95989673 QZJWFLYDMAYMLH-SFHVURJKSA-N 430.888 3.745 0 40 IHAB O=C(c1cc2ccccc2o1)N1CCC(CNS(=O)(=O)c2cccc3cccnc23)CC1 96120406 KCRIBRDIXQBYRS-UHFFFAOYSA-N 449.532 3.812 0 40 IHAB CN1C[C@H]2C3(CCN(C(=O)Nc4ccc(Cl)cc4)CC3)CC[C@@]2(C(=O)N2CCCC2)C1 96262435 PZOMXQPOZHOQFZ-GBXCKJPGSA-N 445.007 3.918 0 40 IHAB Cc1ccc(N2C(=O)[C@H]3N=NN(Cc4nc(-c5ccccc5C)no4)[C@H]3C2=O)cc1Cl 101262197 OYJYMSCVYWPSLS-ZWKOTPCHSA-N 436.859 3.500 0 40 IHAB CCCc1nn(-c2nc3ccccc3o2)c(O)c1[C@H]1CC(=O)N(Cc2ccccc2)C1=O 101983884 JSUJFBBSXGYTSR-MRXNPFEDSA-N 430.464 3.714 0 40 IHAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](n1c(=O)n3n(c1=O)[C@@H]1[C@H]4[C@@H]5[C@@H]6[C@H]4[C@]14CCc1ccccc1[C@@]64[C@@H]53)C2 104293867 SIOJNJDNFFYJBS-PGLWLFRJSA-N 441.575 3.684 0 40 IHAB CCCOc1ccccc1CCCNC(=O)[C@H](C)N(c1ccc(CC)cc1)S(C)(=O)=O 220289792 OOQOMWHNZXQATB-IBGZPJMESA-N 446.613 3.941 0 40 IHAB CCc1ccc(O[C@H](CC)C(=O)NCc2nc(-c3ccc(OC)cc3OC)no2)cc1 222901440 VTYUDWAGCLSFHN-LJQANCHMSA-N 425.485 3.790 0 40 IHAB CCCCOC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)OC)ccc2Cl)cc1 223843285 SYOKZRWEWXRFKO-UHFFFAOYSA-N 425.890 3.884 0 40 IHAB Cc1cccc(N(CCCC(=O)NCCOc2ccc(C)c(Cl)c2)S(C)(=O)=O)c1 224169784 GUXBIPUIWBYHGJ-UHFFFAOYSA-N 438.977 3.698 0 40 IHAB CS(=O)(=O)Nc1ccc(Cl)c(C(=O)NCc2cccc(CN3CCCCC3)c2)c1 224681317 ONDZVAUDGXQFHQ-UHFFFAOYSA-N 435.977 3.627 0 40 IHAB COc1ccc(C(=O)Nc2ccc(F)cc2)cc1CN(C)S(=O)(=O)c1ccccc1 224768189 ZBFQBLYPVKHNJM-UHFFFAOYSA-N 428.485 3.907 0 40 IHAB CCN(c1cccc(C(=O)OC)c1C)S(=O)(=O)c1ccc(OC)c(Br)c1 224885097 BMQFLHBZYHFWKM-UHFFFAOYSA-N 442.331 3.768 0 40 IHAB COc1ccccc1[C@H](C)NC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 225090138 AMSOPGZZZXPOCP-LBPRGKRZSA-N 431.341 3.645 0 40 IHAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccccc3C(=O)NC[C@@H]3CCCO3)cc2)n1 225290231 WLCRXPBAYHCFKL-NRFANRHFSA-N 432.524 3.709 0 40 IHAB Cc1nc(N2CCC(NC(=O)c3ccccc3Br)CC2)cc(C(F)(F)F)n1 225726521 BUYCLZHLMWLUGL-UHFFFAOYSA-N 443.267 3.965 0 40 IHAB CC(C)Sc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)s1 225744444 SZQUOMLCCSNWPM-UHFFFAOYSA-N 447.007 3.729 0 40 IHAB O=C(Nc1ccc(OC(F)(F)F)cc1)[C@]12C[C@@H]1CN(c1ccc(Cl)cc1)S2(=O)=O 225938993 DLIKUADNMYGPOW-DIFFPNOSSA-N 446.834 3.786 0 40 IHAB COc1ccc([C@@H](CNC[C@@H](O)COCC2=CC[C@H]3C[C@H]2C3(C)C)N2CCCC2)cc1 245228476 ZSFOPVGFBCFPKH-WREZULKGSA-N 428.617 3.792 0 40 IHAB CCC(=O)N[C@@H]1c2ccccc2CC[C@@]12CN(Cc1ccccc1)C[C@H]2C(=O)NC(C)C 248015781 SPTBKQXXKNZLTF-RELGLDOUSA-N 433.596 3.843 0 40 IHAB COc1ccccc1OCCCNC(=O)[C@@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2N1 257211685 BZYGWHMVYBXXEH-GFWUTJIGSA-N 449.551 3.568 0 40 IHAB CCN(CC)C(=O)c1cnc([C@H]2CCCCN2C(=O)CCN2CCc3ccccc32)nc1C 257237835 HIKAITBHCOSCSP-HSZRJFAPSA-N 449.599 3.773 0 40 IHAB COc1ccc([C@H]2CN(C(=O)c3cccc(OC)c3OCc3ccccn3)CCN2C)cc1 257275901 NRLORQOZHDWEKH-HSZRJFAPSA-N 447.535 3.807 0 40 IHAB CCc1nccn1-c1cccc([C@H]2CCCN2C(=O)c2ccc(CN3CCOCC3)cc2)n1 257286145 PKMFYQUNNJLXFX-HSZRJFAPSA-N 445.567 3.639 0 40 IHAB O=C(CN1CC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2)Nc1ccccc1-c1ccccc1 257286580 PMCWNYPWUKZFCX-HHHXNRCGSA-N 441.531 3.800 0 40 IHAB CCN(CC)C(=O)c1cncnc1[C@H]1CC[C@H](CNC(=O)Cc2ccc(OC)cc2)CC1 257290605 QDOIJKYUKNJRMO-MXVIHJGJSA-N 438.572 3.600 0 40 IHAB C[C@@H](NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl)c1ccccc1 408526685 BTWGBMLYWGFEOR-MRXNPFEDSA-N 436.961 3.771 0 40 IHAB C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1cccc(Br)c1 408550206 BKDQPUZEHGTUIU-ZDUSSCGKSA-N 433.327 3.908 0 40 IHAB Cc1ccc(F)cc1NC(=O)CSc1nnc([C@H](C)NC(=O)c2ccccc2F)n1C 408596585 SEKHJCOCHMQGOZ-ZDUSSCGKSA-N 445.495 3.624 0 40 IHAB COc1cccc(CNC(=O)c2ccccc2NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c1 408616050 VDJOMDRUUDRNJH-IBGZPJMESA-N 443.503 3.617 0 40 IHAB O=C(COC(=O)CCS(=O)(=O)c1ccc2ccccc2c1)Nc1ccc(Cl)cc1 408645109 JZVUIOVDKNLHGM-UHFFFAOYSA-N 431.897 3.839 0 40 IHAB Cc1ccc(C)n1NC(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c1 408680776 GNSFNWFWBMCPHZ-SFHVURJKSA-N 434.471 3.620 0 40 IHAB CCOc1ccc2ccccc2c1/C=C1/NC(=O)N(CC(=O)Nc2ccccc2OC)C1=O 409228785 FCJIOCJQDHBGRQ-XSFVSMFZSA-N 445.475 3.779 0 40 IHAB CCCOC(=O)c1cc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)ccc1Cl 409412526 SMPIYOYGKJZDLF-UHFFFAOYSA-N 437.279 3.924 0 40 IHAB CC(C)c1ccc(N2CCN(CC(=O)N3CC[C@H](Oc4ccncc4Cl)C3)C2=O)cc1 575611489 YXZFQEYUGZHOAO-IBGZPJMESA-N 442.947 3.780 0 40 IHAB O=C(O)c1cccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 585141352 TVJPOHSEGKNADC-ZMYBRWDISA-N 425.510 3.956 0 40 IHAB CN(C)CCOc1ccc(C(=O)N2CCO[C@@H](c3cccc(Cc4ccccc4)n3)C2)cc1 585260853 SRPFSGABTCCVOV-AREMUKBSSA-N 445.563 3.827 0 40 IHAB Cc1cccc(O[C@H]2CCN(Cc3ccc(OCCn4ccnc4C)cc3)C[C@]2(C)O)c1 643550995 PHPSKPARDLNGMF-UIOOFZCWSA-N 435.568 3.983 0 40 IHAB CCCCN1Cc2ccccc2N(C(=O)CC)CC[C@H]2CCC[C@@H](C1)N2C(=O)COC 643580000 NXUFVSMKWVBUEW-YADHBBJMSA-N 429.605 3.832 0 40 IHAB NS(=O)(=O)c1ccc(NC[C@H]2CCN(c3ccc(Cl)cc3)C2)cc1C(F)(F)F 673696257 MGLMBQQEUBKXQB-GFCCVEGCSA-N 433.883 3.945 0 40 IHAB CC(C)(C)OC(=O)NC[C](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1560408666 LPKFOLYRDXXZIN-UHFFFAOYSA-N 425.461 3.666 0 40 IHAB O=C(O)C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 2598920 DDFWEZMWBJEUAX-DNQXCXABSA-N 431.488 3.972 0 40 IHAB Cc1ccc(NC(=O)C[C@H]2Nc3ccccc3N(CC(=O)Nc3cccc(F)c3)C2=O)cc1 2686952 LQZJSPBSJWAJOI-OAQYLSRUSA-N 446.482 3.929 0 40 IHAB Cc1cccc(NC(=O)CNC(=O)COc2ccc(C(=O)c3ccc(F)cc3)cc2)c1C 3323671 JVPHBRFLWFNKRQ-UHFFFAOYSA-N 434.467 3.807 0 40 IHAB aggregator O=C(Oc1ccc(Cl)c2ccccc12)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 3353702 FFRUMGIPIKNGBX-UHFFFAOYSA-N 449.887 3.872 0 40 IHAB Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)OCC(=O)N4C[C@H](C)C[C@@H](C)C4)cc3C2=O)c1 3471855 AODKRJFSQPLCSG-IAGOWNOFSA-N 448.519 3.765 0 40 IHAB CCCCCCc1c(C)c2ccc(OCC(=O)N3CCC[C@H]3C(=O)O)c(C)c2oc1=O 4073917 DRRLBGGHLHMLTN-IBGZPJMESA-N 429.513 3.987 0 40 IHAB biogenic CCn1c(CNc2ccc(F)cc2)nnc1SCC(=O)Nc1ccc(OC)cc1OC 4383497 UHFZBKOBDSBGCU-UHFFFAOYSA-N 445.520 3.797 0 40 IHAB CCN(CC)CCCn1c2c(c(SCC(=O)Nc3ccccc3C)nc1=O)CCC2 4851844 AOCCLFNCKCBABP-UHFFFAOYSA-N 428.602 3.503 0 40 IHAB COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1cccc(Br)c1 6162696 WIXGAAMBXPMAMO-SFHVURJKSA-N 440.301 3.977 0 40 IHAB CCOC(=O)c1cccc(NC(=O)Cn2c(=O)nc(-c3ccccc3)c3ccccc32)c1 8609004 ZMWTXLPCFYYSIC-UHFFFAOYSA-N 427.460 3.879 0 40 IHAB C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)Oc1ccc(C(=O)c3ccccc3)cc1)C2=O 8825359 FZHBRENYVYTLFP-QUGAMOGWSA-N 448.519 3.960 0 40 IHAB COc1ccc(CNC(=O)Cn2cnc3scc(-c4ccc(C)s4)c3c2=O)cc1 8987671 MGLWEBBDWXFTMV-UHFFFAOYSA-N 425.535 3.820 0 40 IHAB Cn1c(C[C@H]2CCS(=O)(=O)C2)nnc1SCC(=O)c1ccc(C2CCCCC2)cc1 9217927 JGNDKIFMDYAJTF-MRXNPFEDSA-N 447.626 3.815 0 40 IHAB COc1ccccc1CNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 9236222 LGWADYFENGKVKW-LJQANCHMSA-N 443.503 3.617 0 40 IHAB COC[C@H](C)NC(=O)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 9356017 DOPQFCBBXFZAOE-IBGZPJMESA-N 438.549 3.847 0 40 IHAB O=C(CSc1ncnc2c1cnn2-c1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2 9496824 SNPPYTAKLSTRAY-UHFFFAOYSA-N 439.884 3.928 0 40 IHAB Cc1nc2cc(C(=O)N3CCN(C(=O)c4cccs4)CC3)ccc2n1-c1ccccc1 9516094 CHFWNCKHIQGNEV-UHFFFAOYSA-N 430.533 3.994 0 40 IHAB CCCCN1C(SCC(=O)Nc2ccccc2OC)=NS(=O)(=O)c2ccccc21 9530316 XVHYOCLWKWBFNI-UHFFFAOYSA-N 433.555 3.732 0 40 IHAB O=C([C@@H]1CN(C(=O)Cc2ccc(-c3ccccc3)cc2)c2ccccc2O1)N1CCOCC1 9605491 GRWBNOAVLATGNU-VWLOTQADSA-N 442.515 3.549 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccccc2OC)c1 9613550 RTARXUAXNQFDGD-UHFFFAOYSA-N 431.558 3.578 0 40 IHAB Cc1cccc(N2N=C(C(=O)Nc3nn4cc(-c5ccccc5)nc4s3)CCC2=O)c1 9742612 PCZHGSCJBNXOEB-UHFFFAOYSA-N 430.493 3.888 0 40 IHAB COc1cc(CNC(=O)CCc2c(C)c3ccc(C)cc3oc2=O)cc(OC)c1OC 9888292 JHWRSXPYDVSDNC-UHFFFAOYSA-N 425.481 3.685 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2F)cc1C(=O)NC(C)C 10009041 MJWYSHUNPQNNBA-UHFFFAOYSA-N 445.310 3.536 0 40 IHAB CCOc1ccc(C(=O)C2=C(C(=O)OC)Nc3nnnn3[C@@H]2c2ccc(C(C)C)cc2)cc1 10232121 VCLGBVNWMIRXHV-OAQYLSRUSA-N 447.495 3.520 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)c(C)c1 10446770 CPQVFQPQTGQMME-UHFFFAOYSA-N 432.542 3.700 0 40 IHAB COc1ccc(C(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)cc1OC 10970434 TZBRUHQYBVVMGY-UHFFFAOYSA-N 425.510 3.916 0 40 IHAB O=C(NCCOc1ccc2ccccc2c1)c1cccc(S(=O)(=O)N2CCCCC2)c1 10995025 MBIGXOLNTDCRJF-UHFFFAOYSA-N 438.549 3.823 0 40 IHAB Cc1cc(C(F)(F)F)n(-c2ccc(NC(=O)NS(=O)(=O)Oc3ccccc3)cc2)n1 12446098 YDSRWWCGGODGEV-UHFFFAOYSA-N 440.403 3.645 0 40 IHAB Cc1ccc(CSCC(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)cc1 12522926 BLJZWIFPOMEBQP-UHFFFAOYSA-N 441.597 3.540 0 40 IHAB CC(=O)c1ccc(N2CCN(C(=O)[C@H](C)Oc3ccc(Br)cc3)CC2)cc1 12558416 GHTQGIMXJOPGSZ-INIZCTEOSA-N 431.330 3.768 0 40 IHAB C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)c1ccc(F)cc1F 12912495 UXVBTMOJXOJCJY-OAHLLOKOSA-N 448.535 3.732 0 40 IHAB CCn1nnc2cc(C(=O)Nc3nc(-c4ccc(CCNC(C)=O)cc4)cs3)ccc21 12986302 HFQFILNQYSBXRU-UHFFFAOYSA-N 434.525 3.506 0 40 IHAB CCc1ccc(-c2csc(Cn3c(CN4CCOCC4)nc4ccccc4c3=O)n2)cc1 12995029 AMCPHHCDOLTREO-UHFFFAOYSA-N 446.576 3.963 0 40 IHAB Cc1csc2nc(COC(=O)C[C@@H](NC(=O)c3ccccc3)c3ccccc3)cc(=O)n12 13013126 YAHQRIUWPUUIPA-HXUWFJFHSA-N 447.516 3.669 0 40 IHAB COC(=O)C1=C(C)N(c2ccc(C(=O)O)cc2)C(=O)N[C@H]1c1ccc(OC(F)F)cc1 13060301 DAOPSQXHGTVOCJ-KRWDZBQOSA-N 432.379 3.704 0 40 IHAB NC(=O)c1cc2cc(F)ccc2nc1C1CCN(C(=O)[C@@H](O)c2ccc(Cl)cc2)CC1 13265948 GNNACFPZUVUOOF-NRFANRHFSA-N 441.890 3.566 0 40 IHAB Cc1ccc(OCc2nnc(S[C@H](C)C(=O)Nc3ccc4c(c3)OCO4)n2C)c(C)c1 13568127 ZRYMGYGRBQFGLO-OAHLLOKOSA-N 440.525 3.859 0 40 IHAB CN1C(=O)COc2ccc(C(=O)CSc3nnc(-c4ccoc4)c(-c4ccoc4)n3)cc21 13570062 VQJHTBRLRFJYBB-UHFFFAOYSA-N 448.460 3.722 0 40 IHAB CC[C@H](C(=O)NCCSc1ccc(Cl)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 13715336 KCKSSDNEGXUNCM-GOSISDBHSA-N 444.981 3.932 0 40 IHAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 14197525 DLWUUWHOWJENBQ-HNNXBMFYSA-N 429.480 3.790 0 40 IHAB Cc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)cc1S(N)(=O)=O 15026594 RVKORULZHMCBCU-UHFFFAOYSA-N 438.534 3.809 0 40 IHAB COc1cc2c(cc1OC)CN(Cc1nc(-c3ccc(OC(F)F)c(OC)c3)no1)CC2 15293952 UURJXXZLJVIQSB-UHFFFAOYSA-N 447.438 3.922 0 40 IHAB CCCCc1nn2c(=O)cc(COC(=O)c3ccc(NC(=O)CCC)cc3)nc2s1 15771876 OKPCJHLUCBHJDJ-UHFFFAOYSA-N 428.514 3.589 0 40 IHAB COc1ccc(CC(=O)NC[C@H](c2cccs2)S(=O)(=O)c2ccc(OC)cc2)cc1 15780735 HMWUGSATOPSXLM-OAQYLSRUSA-N 445.562 3.639 0 40 IHAB O=C(c1ccco1)N1CCN(c2ncnc3c(-c4ccc(Cl)cc4)nsc23)CC1 15936126 RYSSKDZENDNRBT-UHFFFAOYSA-N 425.901 3.962 0 40 IHAB COc1cc(C2SCCS2)ccc1OS(=O)(=O)c1ccc(NC(C)=O)cc1 16085680 VFTKBNOHWKWRCJ-UHFFFAOYSA-N 425.553 3.900 0 40 IHAB COC(=O)c1ccc(CSc2nnc3n(Cc4ccccc4)c(=O)c4ccccc4n23)o1 16091184 CFYZKOFIQRAHPX-UHFFFAOYSA-N 446.488 3.764 0 40 IHAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)C2(c3ccc4c(c3)OCCO4)CCCC2)c1C 16167739 NFZGXAIQCALCKF-UHFFFAOYSA-N 425.481 3.843 0 40 IHAB Cc1ccc(S(=O)(=O)N(CCCc2c(C)[nH]c(=S)[nH]c2=O)c2ccccc2)cc1 17014783 KDVRNHMTLKWPAG-UHFFFAOYSA-N 429.567 3.877 0 40 IHAB COc1cccc(OC)c1C(=O)NC(=S)Nc1c(F)cc(F)cc1Br 17097347 SRDYIIWWKJTLOM-UHFFFAOYSA-N 431.258 3.871 0 40 IHAB CCN(CCNC(=O)CCc1c(C)nc2nc(C(F)(F)F)nn2c1C)c1cccc(C)c1 17841422 QOVYVCCMQNHFKR-UHFFFAOYSA-N 448.493 3.644 0 40 IHAB CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)ccc1O 18068136 UIBYGIRRCNPPCR-ZLNRFVROSA-N 430.460 3.842 0 40 IHAB Cc1cc(-c2cnc(N(C)C)nc2CN(Cc2ccccc2)C(=O)c2cccnc2)on1 19123600 UOLSPNSXKZJWQT-UHFFFAOYSA-N 428.496 3.744 0 40 IHAB COc1ccc([C@@H]2CN(C(=O)CC3CCCCC3)C[C@H]2c2cc(=O)[nH]c(C)n2)cc1OC 19285429 OIISIHHKMJSYBC-VQTJNVASSA-N 439.556 3.776 0 40 IHAB CN(C)CCNC[C@@H](O)CN1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@@H]31 19367692 HJMXAOVPXYXKMS-GJZUVCINSA-N 438.660 3.894 0 40 IHAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN3C(=O)c3ccc(=O)n(C)c3)cc2N1 19451266 PERVCZPCHOYUTC-USXIJHARSA-N 437.466 3.503 0 40 IHAB CCSc1ncc(CN2CCC(c3cc(N)n4nc(C(C)(C)C)cc4n3)CC2)cn1 19520521 NGPPGDLUCODZBS-UHFFFAOYSA-N 425.606 3.891 0 40 IHAB CCOc1ncccc1C(=O)N1CCC[C@H]([C@@H]2C[C@@H](C(F)(F)F)n3nc(C)cc3N2)C1 19531469 QAGADELTWCVKDV-XIRDDKMYSA-N 437.466 3.825 0 40 IHAB COc1cccc(CN2CCN(C)C(=O)[C@H](Cc3cccc(-c4ccncc4)c3)C2)c1OC 19589570 GJGBQNXBSFCDKF-XMMPIXPASA-N 445.563 3.899 0 40 IHAB CNC(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCCN(C(=O)Cc2cccnc2)C1 19591153 BXVSXKMOIPZTRK-VWLOTQADSA-N 433.577 3.950 0 40 IHAB CCn1cc(S(=O)(=O)N2CCC[C@@H](c3ccc(Cc4ccc(F)cc4)cn3)C2)c(C)n1 19690385 ZOLCNEYBFAXYFI-HXUWFJFHSA-N 442.560 3.905 0 40 IHAB Cc1ncsc1C(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(CCc1ccccc1)C(=O)C2 19739877 HLWODYURJLGZHQ-LJQANCHMSA-N 447.564 3.659 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N[C@@H]2CCSc3ccccc32)cc1 21899947 IUMXSXITUXCGOX-WOJBJXKFSA-N 430.595 3.892 0 40 IHAB O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)N1CCN(c2cccc(Cl)c2)CC1 23143172 LGZZQDDGLBXJOL-UHFFFAOYSA-N 434.245 3.523 0 40 IHAB COc1ccc(NC(=O)c2ccc(COc3ccc(C)cc3)o2)cc1S(=O)(=O)N(C)C 24993095 DGPXFBVOTZPZGQ-UHFFFAOYSA-N 444.509 3.678 0 40 IHAB COc1ccc2c(c1)CCCN2C(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3 27064429 BHWJSJIFKLICMX-UHFFFAOYSA-N 441.578 3.695 0 40 IHAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CCCn1c(=O)oc2ccccc21 28015607 MVSHWLBKHRXHIO-UHFFFAOYSA-N 449.429 3.881 0 40 IHAB CC[C@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1nc2ccccc2n1CCN1CCOCC1 28228002 OZUGTQXPVDZYMG-DEOSSOPVSA-N 448.567 3.653 0 40 IHAB CCOc1ccc(N2C[C@H](C(=O)NCc3ccc(-c4csc(C)n4)o3)CC2=O)cc1 28729157 BEFZUSXOEBDSIV-OAHLLOKOSA-N 425.510 3.780 0 40 IHAB O=C(NCC(F)(F)F)c1ccc(CN(C(=O)/C=C/c2ccc3c(c2)OCO3)C2CC2)cc1 29382037 HHQQIXYYVUEHFE-ONNFQVAWSA-N 446.425 3.912 0 40 IHAB O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CN1CCO[C@H](c2ccc(F)cc2)C1 29894840 UQMHDXXCWHAUIO-QHCPKHFHSA-N 445.494 3.652 0 40 IHAB Cc1cc(OCC(=O)Nc2ccccc2N2CCN(C(=O)C(C)C)CC2)ccc1Cl 32126600 DKNGFGJILBAVNC-UHFFFAOYSA-N 429.948 3.971 0 40 IHAB CCOC(=O)C1=C(CSc2nccn2-c2ccccc2)NC(=O)N[C@@H]1c1ccc(C)o1 32754877 VBMZEBTUOGIQBB-LJQANCHMSA-N 438.509 3.737 0 40 IHAB O=C(Nc1ccccc1)C1CCN(C(=O)Cc2cc(Cl)c3c(c2)OCCCO3)CC1 32836942 XESKYUDIYQWCEH-UHFFFAOYSA-N 428.916 3.921 0 40 IHAB O=S(=O)(NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1ccc(Cl)cc1 32895789 JDAGBBWWBXJGHG-UHFFFAOYSA-N 425.219 3.533 0 40 IHAB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)S(=O)(=O)c1cccc2cnccc12 32936938 GTQFAIQMGKMJFE-UHFFFAOYSA-N 437.443 3.692 0 40 IHAB COc1ccccc1N1CCN(C(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)CC1 38836150 QTDSRPIWRYAELM-FQEVSTJZSA-N 427.976 3.909 0 40 IHAB O=C(c1ccc(-n2cccn2)cc1)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 40122400 NPNRXIXKXZDQHN-UHFFFAOYSA-N 429.307 3.777 0 40 IHAB O=C(N1CCN(c2ccccc2)CC1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 43739475 UVMGVKKPLIPYOO-UHFFFAOYSA-N 432.973 3.775 0 40 IHAB Cc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)N1c2ccccc2C[C@H]1C 46027462 ZXUMUCJDQNJSSP-QGZVFWFLSA-N 449.576 3.774 0 40 IHAB COc1ccc2nc(C)cc(N3CCN(S(=O)(=O)c4ccc(Cl)s4)CC3)c2c1 48304297 HXXSQDSBHCMGLZ-UHFFFAOYSA-N 437.974 3.778 0 40 IHAB Cc1ccc2c(=O)c(C(=O)Nc3cccc(F)c3)cn(CC(=O)NC3CCCCC3)c2n1 49002154 LFMKVWILAMNZRK-UHFFFAOYSA-N 436.487 3.545 0 40 IHAB COc1cccc(-c2nc(C(=O)N3CCNC(=O)C[C@@H]3c3ccccc3)cs2)c1OC 65489452 DLZYQIMNKGQBDY-GOSISDBHSA-N 437.521 3.531 0 40 IHAB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 72296882 FKLAVGFDIJYNJZ-AQNXPRMDSA-N 447.576 3.747 0 40 IHAB COc1ccccc1C(=O)N1CCN(Cc2c(C(F)(F)F)[nH]c3ncc(C)cc23)CC1 72395397 PXPLHQCTBGPYNT-UHFFFAOYSA-N 432.446 3.857 0 40 IHAB CCOC(=O)COc1ccc(OCCSc2nnc(Cc3cccs3)n2C)cc1 78938417 TYHKSJHYAYGXPL-UHFFFAOYSA-N 433.555 3.580 0 40 IHAB CCN1CC[C@@]2(CN(Cc3cccnc3)CC23CCN(Cc2ccc(C)s2)CC3)C1=O 96036467 OLWNDFHGHPIQEE-RUZDIDTESA-N 438.641 3.788 0 40 IHAB CC(C)CNC(=O)C[C@@H]1CC2(CCN(C(=O)C3CCOCC3)CC2)Oc2ccccc21 96053552 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448.585 3.735 0 40 IHAB CC[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl)c1ccc(OC)c(OC)c1 219286970 NOJKQYKYNOZVBG-MRXNPFEDSA-N 426.922 3.610 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2ccc(CC)cc2)S(C)(=O)=O)c(C)c1 220285651 ZIUJCWNUNWLTBF-MRXNPFEDSA-N 432.542 3.527 0 40 IHAB COc1ccc(C)cc1N([C@@H](C)C(=O)Nc1cccc(Br)c1)S(C)(=O)=O 220327095 NMSXIZKKKCJTBN-ZDUSSCGKSA-N 441.347 3.559 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc4ccccc4c3)CC2)cc1 222822805 HPPOVUOTXIQONP-UHFFFAOYSA-N 438.549 3.566 0 40 IHAB CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)COc1ccc(Br)cc1 223045709 GSIVJLMXEBCJHO-IBGZPJMESA-N 433.346 3.690 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(N3CCCCC3)cc2)cc1C(=O)NC(C)C 224960815 CNGQHIZFMOXPHZ-UHFFFAOYSA-N 431.558 3.625 0 40 IHAB Cn1c(=O)sc2cc(NC(=O)c3cccc(NS(=O)(=O)c4ccccc4)c3)ccc21 225040505 XYQALRWDDWRURL-UHFFFAOYSA-N 439.518 3.653 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)Nc1ccc(OC(C)C)cc1 225419501 HQRSUOZRACKOGH-UHFFFAOYSA-N 446.569 3.838 0 40 IHAB CC1(C)C[C@@H](NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c2ccccc2O1 225511259 MBCXSVGLVCUDJJ-YLJYHZDGSA-N 428.554 3.506 0 40 IHAB Cc1ccc(N([C@H](C)C(=O)Nc2nnc(-c3ccccc3)s2)S(C)(=O)=O)cc1C 260839141 JBRAYCGLGCGOAJ-OAHLLOKOSA-N 430.555 3.615 0 40 IHAB O=C1N(Cc2ccccc2)CCO[C@]12CN(Cc1ccccc1F)C[C@H]2c1cccnc1 306144498 ZGQGJEDOAQAVAC-OZXSUGGESA-N 431.511 3.618 0 40 IHAB CC(C)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 408610050 URWCNXABLKQPOX-ZDUSSCGKSA-N 430.448 3.798 0 40 IHAB COc1ccccc1NC(=O)CCC(=O)OCC(=O)Nc1ccc(Cl)cc1Cl 408663853 OXQMHCUAVRZCNM-UHFFFAOYSA-N 425.268 3.903 0 40 IHAB COc1ccccc1CNC(=O)c1ccccc1NC(=O)C(=O)NCCC1=CCCCC1 408710019 LOZDJGHJODRNCN-UHFFFAOYSA-N 435.524 3.570 0 40 IHAB COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(O)cc3)C2=O)ccc1Cl 409168020 KUWVXJJFQTXKHH-LZYBPNLTSA-N 446.868 3.507 0 40 IHAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(Br)c2)cc1 409195386 PGURIFVYKIVKFA-CYBMUJFWSA-N 441.347 3.543 0 40 IHAB O=C(O[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 409291981 CLZAYYJWEJSHMH-WOJBJXKFSA-N 449.846 3.664 0 40 IHAB CCOC(=O)C1=C(C)N=c2s/c(=C\C=C\c3ccccc3)c(=O)n2[C@H]1c1cccs1 631615 TVELGFXONBTXQH-MYNYIMKUSA-N 436.558 3.525 0 40 IHAB CCN1CCN(c2nc3sc4c(c3c(=O)n2-c2ccc(OC)cc2)CCCCC4)CC1 2215609 JLPNYBCUPIHVAG-UHFFFAOYSA-N 438.597 3.867 0 40 IHAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3Br)n2N)c1 2343479 ZBDAUJGLOIOTSN-UHFFFAOYSA-N 432.347 3.769 0 40 IHAB CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)N1c2ccccc2C[C@H]1C 3297261 KPBTXPUGCYUTSL-VFNWGFHPSA-N 428.916 3.615 0 40 IHAB O=C(CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O)c1ccc(Br)s1 8719113 RLPRVCRVPNUULJ-LJQANCHMSA-N 433.327 3.867 0 40 IHAB O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCC1(c2ccccc2)CC1 8728210 KDRLQQPKIFJQQT-UHFFFAOYSA-N 426.582 3.642 0 40 IHAB CS(=O)(=O)Nc1ccccc1C1=NN(C(=O)c2ccccc2F)[C@H](c2ccco2)C1 9260395 DVRBVEQFVSRHQR-IBGZPJMESA-N 427.457 3.782 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 9463800 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CCS(=O)(=O)N1CCc2cc(C3=NN=C(Nc4cccc(Cl)c4)SC3)ccc21 12742429 VLEAHTQAQGGSHB-UHFFFAOYSA-N 434.974 3.971 0 40 IHAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)c1 12746391 FCWFHARBTLZPSA-SFHVURJKSA-N 436.430 3.816 0 40 IHAB O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)c2ccc(Br)cc2)CC1 12748329 ASQBNMLYZLVVMX-UHFFFAOYSA-N 430.298 3.955 0 40 IHAB C[C@H]1CCCN(Cc2csc(NC(=O)C3CCN(C(=O)c4cccs4)CC3)n2)C1 12780290 DODDPVIGRPVHIP-HNNXBMFYSA-N 432.615 3.927 0 40 IHAB Cc1cc(Br)ccc1NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 12926361 OOENDFCEKSUTBR-CYBMUJFWSA-N 431.286 3.520 0 40 IHAB Cc1ccc(NC(=O)CSCC(=O)OCC(=O)Nc2ccc3c(c2)CCC3)c(C)c1 13101186 HKTCABUETHAIMK-UHFFFAOYSA-N 426.538 3.646 0 40 IHAB COc1cc(-c2nnc(COC(=O)CCC(=O)c3cccs3)o2)cc(OC)c1OC 13127395 WMAWYXWVQUIHMT-UHFFFAOYSA-N 432.454 3.530 0 40 IHAB CCOc1cc(-c2noc(CCCC(=O)NC(C)C)n2)cc(Br)c1OC 13494732 UEGCSNISJZGLTP-UHFFFAOYSA-N 426.311 3.754 0 40 IHAB CCn1c(S[C@H](C)C(=O)Nc2nc(C)cs2)nnc1-c1ccc(OC)c(OC)c1 13568942 OUCBDSNEXDADHZ-GFCCVEGCSA-N 433.559 3.866 0 40 IHAB COC(=O)[C@@H](CC(=O)c1ccc(OC)cc1)c1cc(=O)oc2cc(OC)c(Cl)cc12 13727084 UHPSUEWIPLWRLL-INIZCTEOSA-N 430.840 3.993 0 40 IHAB CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3C[C@H](C)O[C@H](C)C3)c2c1C 14166808 BOLRKYDOJHJBCA-GASCZTMLSA-N 432.590 3.776 0 40 IHAB CC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)c1ccc(C)cc1 14602530 OCCBLNGANSBCJO-JOCHJYFZSA-N 430.570 3.672 0 40 IHAB Cc1cc2nc(COC(=O)c3cccc(NC(=O)c4cccc(Cl)c4)c3)cc(=O)n2o1 15772286 GJTNKQHZYPYSJA-UHFFFAOYSA-N 437.839 3.859 0 40 IHAB Cc1ccc(OCCSc2nnc(Cc3c(C)nc4c(C)cccn4c3=O)n2C)cc1 15859249 QBCSKSIQYBXGLM-UHFFFAOYSA-N 435.553 3.510 0 40 IHAB CC(C)C(=O)Oc1coc(CSc2nnc(NC(=O)c3cccs3)s2)cc1=O 16047907 DVMPMJNZGQAVGG-UHFFFAOYSA-N 437.524 3.659 0 40 IHAB CCN(CC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1)Cc1ccccc1 16483210 HLNXPRVSDUMDPG-UHFFFAOYSA-N 437.565 3.972 0 40 IHAB COc1ccc(NC(=O)Cn2cccc(-c3nc(-c4ccc(C)cc4)no3)c2=O)c(OC)c1 16843491 QVVGMSSBMLMJCR-UHFFFAOYSA-N 446.463 3.530 0 40 IHAB COc1ccccc1CN1CCC[C@H](c2nn(C)cc2-c2ccnc(N3CCCC3)n2)C1 19290183 JVDZRRHLBCPQAF-FQEVSTJZSA-N 432.572 3.866 0 40 IHAB O[C@H]1CC2(CCN(C[C@H](O)c3ccc4c(c3)OCCO4)CC2)Oc2c1ccc1ccccc21 19376358 NXMDEXAUBWOWBC-GOTSBHOMSA-N 447.531 3.995 0 40 IHAB COc1cc(OC)c(OC)cc1CN1CCc2c(nc(C(C)C)nc2N2CCCC2)C1 19453609 OXBXTVGYOLDMKM-UHFFFAOYSA-N 426.561 3.784 0 40 IHAB COc1ccc(OC)c([C@@H]2CN(Cc3ccccc3)C[C@H]2NC(=O)c2ccnn2C(C)C)c1 19454589 ICELBKCZKMGYLA-XZOQPEGZSA-N 448.567 3.879 0 40 IHAB COCCc1ncc(CN(Cc2ccccc2OC)C2CC(C)(C)NC(C)(C)C2)cn1 19461019 AKGSJJJSYXTOMF-UHFFFAOYSA-N 426.605 3.986 0 40 IHAB CCC(=O)N[C@@H]1c2ccccc2CC[C@@]12CN(Cc1ccccc1)C[C@@H]2C(=O)NC(C)C 19499282 SPTBKQXXKNZLTF-HYZYYIOASA-N 433.596 3.843 0 40 IHAB CCCN1CCN(C(=O)c2nccn2C)C[C@@H](Cc2ccccc2-c2ccc(C)cc2)C1=O 19503163 FLJQAHDEQHVASD-HSZRJFAPSA-N 444.579 3.949 0 40 IHAB CCCN1CCN(C(=O)Cn2cccn2)C[C@@H](Cc2ccccc2-c2cccs2)C1=O 19503297 KAWIVVFTINVGKH-HXUWFJFHSA-N 436.581 3.551 0 40 IHAB Cc1nc([C@H]2CCCN(C(=O)c3cc(-c4ccc(F)cc4)no3)C2)nc2c1CCC(=O)N2C 19741343 GJPKDRPZPQEXLM-INIZCTEOSA-N 449.486 3.508 0 40 IHAB COc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CCn3ccnc3C)CC2)c1 19746583 FJZPSNBXKGNVMY-QHCPKHFHSA-N 438.572 3.524 0 40 IHAB CCOc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3)C2)cc1 19860743 MPUGCYLAUSACEQ-QGZVFWFLSA-N 436.961 3.919 0 40 IHAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccc(SC)cc2)cc1 20019601 WTJOUTROMGLJOB-CVEARBPZSA-N 436.599 3.742 0 40 IHAB COCCN1C(=O)c2ccccc2[C@H](C(=O)NCc2ccc(OC)cc2)C12CCCCC2 20725132 RXQYEFLCKIVWRB-HSZRJFAPSA-N 436.552 3.900 0 40 IHAB CCN(Cc1ccccc1)C(=O)[C@@H](C)Sc1nnc([C@@H]2COc3ccccc3O2)n1C 22083361 HXOYYRBPOHEXLS-UZLBHIALSA-N 438.553 3.857 0 40 IHAB O=C(CN1CCN(Cc2cccc3ccccc23)CC1)NCCc1c[nH]c2ccccc12 22790573 NGHDCHFEWJSIDN-UHFFFAOYSA-N 426.564 3.798 0 40 IHAB COc1cccc(NC(=O)C(=O)NC[C@H](c2cccs2)N2CCc3ccccc3C2)c1 22908191 UJBRDTAVVXVEAJ-OAQYLSRUSA-N 435.549 3.611 0 40 IHAB CC(C)CN(Cc1csc(-c2ccccc2)n1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 23357959 QMSZJZQIJQWSCU-UHFFFAOYSA-N 427.574 3.561 0 40 IHAB Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3nc(CN4CCOCC4)cs3)cc12 24061672 PTZWYCPKBLTYNC-UHFFFAOYSA-N 439.566 3.936 0 40 IHAB CCn1c(CN2CCOCC2)nc2cc(NC(=O)c3cccc(Br)c3)ccc21 26121677 UYZKILAEYXYFAY-UHFFFAOYSA-N 443.345 3.903 0 40 IHAB COc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1ccccc1OC 32126563 WUKXDTPIFXZNKN-UHFFFAOYSA-N 425.466 3.676 0 40 IHAB Cc1ccccc1[C@@H](CC(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1Cl)NC(N)=O 32796545 ZNLZBSVYJOBKSL-UXHICEINSA-N 445.947 3.947 0 40 IHAB Cc1ccnc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)N4CCCCC4)C3=O)c2C)c1 33649391 CIRCNKNBVXHDGR-UYRXBGFRSA-N 438.553 3.846 0 40 IHAB COCCCn1c(=O)c2ccccc2n2c(=S)n(CN3CCC[C@@H]4CCCC[C@H]43)nc12 36391736 QSKJGMVHFGKYON-PKOBYXMFSA-N 441.601 3.829 0 40 IHAB O=C(NCc1ccc(CN2CCOCC2)cc1)C1CCN(Cc2ccccc2Cl)CC1 38831263 GETAKMVFTVJANV-UHFFFAOYSA-N 442.003 3.701 0 40 IHAB Cc1ccc(C(=O)COC(=O)CCn2cnc3ccc(Br)cc3c2=O)cc1C 40040109 KNSLYYUYTSCELI-UHFFFAOYSA-N 443.297 3.592 0 40 IHAB COc1ccc(Br)cc1CN(C)C(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1 40059828 VMDFDSMDGNKBMY-CQSZACIVSA-N 435.318 3.562 0 40 IHAB C[C@H]1C/C(=C/c2ccco2)c2nc3ccccc3c(C(=O)OCCN3C(=O)CNC3=O)c2C1 40071867 NATISNDHIXJCJQ-WSTOHFRZSA-N 445.475 3.659 0 40 IHAB CSc1nc(C)c(CCC(=O)N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)c(C)n1 48310003 DNCVLHZWNBJDQH-UHFFFAOYSA-N 445.564 3.700 0 40 IHAB O=C(NC1CCN(c2ccccc2)CC1)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 58406093 RWUFMVDIHCRAGD-MRXNPFEDSA-N 431.458 3.844 0 40 IHAB COC(=O)c1cccc(NC(=O)CSc2nnc(COc3cccc(C)c3C)n2C)c1 59176355 JPZMZFNREOMTFL-UHFFFAOYSA-N 440.525 3.528 0 40 IHAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc3[nH]c(-c4cccc(F)c4)nc3c1)C2=O 69980524 VHKNOSQZLCKARV-LFPIHBKWSA-N 449.486 3.808 0 40 IHAB Cc1ccc(CNC(=O)Cn2nnc(C(=O)Nc3cc(Cl)cc(Cl)c3)c2C)cc1 71327249 ZDQRJLZCNLIQQJ-UHFFFAOYSA-N 432.311 3.770 0 40 IHAB COc1cccc(OC)c1C(=O)N1CCCC[C@@H]1c1nc(N(C)C)ncc1-c1ccncc1 72341479 XIGIEGQGROBXCH-LJQANCHMSA-N 447.539 3.989 0 40 IHAB Cc1cc(Cc2ccccc2Cl)cc([C@@H]2CCCN(S(=O)(=O)c3cn[nH]c3)C2)n1 72356244 HAFBKERHDRTCQB-GOSISDBHSA-N 430.961 3.926 0 40 IHAB COc1ccc(NC(=O)CN2CCC[C@@H](c3cc(Nc4cnccn4)cc(C)n3)C2)cc1 72374849 NFZCHCCVHIEAMD-GOSISDBHSA-N 432.528 3.750 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccnc(Nc3ccccn3)n2)cc1 72377734 DGFFJZSTFSUJBI-LJQANCHMSA-N 425.514 3.540 0 40 IHAB CSc1cnn(-c2ccccc2)c1NC(=O)Cc1c(C)nn(-c2nc(C)cc(C)n2)c1C 79096382 FVYZKXULLVBGEF-UHFFFAOYSA-N 447.568 3.985 0 40 IHAB O=C(NC1CC1)c1cccc(OC(=O)c2cnn(-c3ccccc3)c2Br)c1 96006699 VFOQCQQBBAFXBI-UHFFFAOYSA-N 426.270 3.746 0 40 IHAB CCCN(Cc1ccc(OCC)c(OCC)c1)C(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O 96437977 YQBUSTJGURRCHS-WOJBJXKFSA-N 444.572 3.788 0 40 IHAB O=C(C1CC1)N1CCc2nc3cc([C@H]4CCCCN4Cc4ccc(F)cc4)nn3c(O)c2C1 100233893 KHZYQIXIAWPFJD-JOCHJYFZSA-N 449.530 3.596 0 40 IHAB CCCn1c(-c2cccc(S(=O)(=O)N3CCOCC3)c2)cs/c1=N/c1ccccc1 101342236 LLKIAFYGTQYMLA-GHVJWSGMSA-N 443.594 3.880 0 40 IHAB CCOC(=O)CCCCC(=O)CC(=O)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 103541889 VNDMADWMICBULJ-UHFFFAOYSA-N 435.476 3.962 0 40 IHAB CC1=CCC(=O)[C@@]2(C)[C@@H](CC(=O)O)[C@@]3(C)C4=C(C)[C@H](c5ccoc5)C[C@@H]4O[C@@H]3[C@@H](O)[C@H]12 104064942 WLPQYBOZJVUQFL-BCFGCULQSA-N 426.509 3.864 0 40 IHAB COc1ccc([C@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1OC 216307193 LUVJTWTUWRBZQP-INIZCTEOSA-N 440.521 3.996 0 40 IHAB COc1cccc(CCCNC(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)c1 219635001 PMSVPFCGTWZADV-UHFFFAOYSA-N 438.977 3.644 0 40 IHAB COc1cccc(N([C@H](C)C(=O)NCCCc2ccc(C(C)C)cc2)S(C)(=O)=O)c1 220186807 DNYJMERYMYQWLP-GOSISDBHSA-N 432.586 3.722 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)[C@H](CC)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220560908 GUURVOYHVYGPSC-FQEVSTJZSA-N 432.542 3.663 0 40 IHAB COc1ccc(N(CCCC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)cc1 222606636 MONRHNVFCBPJCT-HXUWFJFHSA-N 446.569 3.660 0 40 IHAB CC[C@H](NS(=O)(=O)c1ccc(SC)c(NC(C)=O)c1)c1ccc(OC)c(OC)c1 222746644 ZGBUGNHPZUZNIA-INIZCTEOSA-N 438.571 3.814 0 40 IHAB C[C@H](C(=O)NC[C@H]1CCCO1)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1Cl 222880494 DAHPJYICLZISBO-VQIMIIECSA-N 448.922 3.570 0 40 IHAB O=C(O)c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)cc1 223319965 XVXOXQSUVIXLPC-NYVOZVTQSA-N 448.548 3.722 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)N[C@H](C)c1ccccc1 224098025 ZSGUZVNGOKAAQJ-GOSISDBHSA-N 430.570 3.680 0 40 IHAB CC[C@H](C(=O)Nc1nnc(SC(C)C)s1)N(c1cccc(C)c1)S(C)(=O)=O 224146688 PCETYNYQJVILIQ-CQSZACIVSA-N 428.605 3.530 0 40 IHAB CC1CCN(CCCNC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3F)c2)CC1 224159730 WGLSLFNTSFYKEL-UHFFFAOYSA-N 447.576 3.503 0 40 IHAB CCc1ccc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)cc1 224560099 QQADWPYPLCVOFR-QGZVFWFLSA-N 432.561 3.807 0 40 IHAB CCCc1ccc(OCCNC(=O)CCCN(c2cccc(C)c2)S(C)(=O)=O)cc1 224627860 RXEXILXHKYKYEP-UHFFFAOYSA-N 432.586 3.689 0 40 IHAB Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 225639081 VKKBJWYWHLHYFD-MOHJPFBDSA-N 444.535 3.749 0 40 IHAB C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(Br)cc1F 248380744 RBTGSKHLWMYCHH-SECBINFHSA-N 435.702 3.547 0 40 IHAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)COC[C@@H]3CCCCO3)CC2)on1 257296455 RCXRJYFZSAYITG-UFYCRDLUSA-N 442.560 3.724 0 40 IHAB Nc1ncc(-c2ccc(F)cc2)c([C@@H]2CCCCN2C(=O)c2ccc(-n3cccn3)nc2)n1 257309737 UCFIAQUSLBAWKU-FQEVSTJZSA-N 443.486 3.813 0 40 IHAB Cc1nn(C)cc1S(=O)(=O)N1CCC[C@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 257325352 WSOXUMOILSSBTE-INIZCTEOSA-N 434.949 3.529 0 40 IHAB Cc1cc(Nc2nc(C)c(C)s2)cc([C@@H]2CN(C(=O)Cc3c(C)noc3C)CCO2)n1 257341231 ZJLHDGBLORJBGP-FQEVSTJZSA-N 441.557 3.954 0 40 IHAB Cc1ccc(C(=O)NCCCN2CCC[C@H](C)C2)cc1N(C)S(=O)(=O)c1ccccc1 260561517 IXRXBQICDJJBFJ-IBGZPJMESA-N 443.613 3.672 0 40 IHAB COc1ccc(-c2ccc(CCC(=O)O)n2NC(=O)C(=O)Nc2cc(C)cc(C)c2)cc1 408561147 GWCRVHPSKNBQMH-UHFFFAOYSA-N 435.480 3.507 0 40 IHAB O=C(NC1CCCC1)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl 408596851 SQOZAEBCIORVHJ-SFHVURJKSA-N 441.380 3.942 0 40 IHAB COc1ccc(Cl)cc1C(=O)N1CCN([C@H](CCC(=O)O)c2ccc(F)cc2)CC1 408604774 FBPUWGZTKPQXEG-LJQANCHMSA-N 434.895 3.852 0 40 IHAB CCOC(=O)C1CCN(C(=O)c2cc3c(N4CCCCC4)nc(SC)nc3s2)CC1 408636912 VZHMVDDPOPQPCU-UHFFFAOYSA-N 448.614 3.819 0 40 IHAB CCc1ccccc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 408663631 QCNFFRGAJSEFEW-PMACEKPBSA-N 432.476 3.500 0 40 IHAB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C\c2cc(OC)c(O)cc2Br)C1=O 409203611 ZGSQFWUMQWMLIX-VYJZUSIPSA-N 444.303 3.541 0 40 IHAB Cc1cc2nc3s/c(=C\c4ccc(I)cc4)c(=O)n3c2cc1C 409391613 IYWBVCJHKARFMN-SXGWCWSVSA-N 432.286 3.678 0 40 IHAB Cc1nc(-c2cnn(C)c2)sc1C(=O)NCC1(c2cccc(Cl)c2)CCOCC1 524504311 SKIZCGKZJLRSLK-UHFFFAOYSA-N 430.961 3.984 0 40 IHAB CC(C)n1cnc([C@@H]2CN(C(=O)Cc3ccccc3)C[C@@]23CCCN(CC2CC2)C3=O)c1 585107544 ZKMYCXZGOXXTIE-NVQXNPDNSA-N 434.584 3.651 0 40 IHAB Cc1cc(OCC2(O)CCN(CC(=O)NCCc3ccccc3)CC2)cc(C)c1Cl 585274570 WWNXPJKRPSKTRX-UHFFFAOYSA-N 430.976 3.521 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCO[C@@H](c3cccc(Nc4ncc(C)s4)n3)C2)cc1 643551017 VAHLXSCKXSTATC-GOSISDBHSA-N 430.555 3.661 0 40 IHAB Cc1cc(C)cc(O[C@H]2CN(Cc3ccc(OCCn4nc(C)cc4C)cc3)C[C@@H]2O)c1 1615073608 JVCNAGJNIMQJCD-UIOOFZCWSA-N 435.568 3.820 0 40 IHAB C[C@H]1CN(C(=O)[C@H](C)SCc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)CCO1 11497293 AORWVYUTWCGTFF-KBPBESRZSA-N 429.567 3.521 0 40 IHAB O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)c1ccccc1 793015 MBEBSKJZEFNXIE-UHFFFAOYSA-N 435.929 3.944 0 40 IHAB COc1ccccc1N1CCN(C(=O)CSc2nnc3c(C)cc4ccccc4n23)CC1 877041 HWFUBVLQYUXXMK-UHFFFAOYSA-N 447.564 3.640 0 40 IHAB COc1ccccc1C(=O)N[C@@]1(C(F)(F)F)N=C(c2ccccc2)N(C2CCCC2)C1=O 20622749 GVVJGAIVRUEBDZ-QFIPXVFZSA-N 445.441 3.915 0 40 IHAB C[C@@H](Sc1nc(COc2ccc(Cl)cc2)n[nH]1)C(=O)Nc1ccc2c(c1)OCO2 21261883 LJQGWWZKRQZPFG-LLVKDONJSA-N 432.889 3.885 0 40 IHAB CCc1cc2oc(=O)cc(COC(=O)C[C@@H]3Oc4ccccc4NC3=O)c2cc1Cl 32719368 OAVLQPCKAWZMAT-IBGZPJMESA-N 427.840 3.842 0 40 IHAB COC(=O)CCCCNC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1-n1cccc1 60126383 MIGKIUREQUTIQA-UHFFFAOYSA-N 434.418 3.755 0 40 IHAB CN(C(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 60350878 YHVWFBKCVFRSDD-FQEVSTJZSA-N 440.487 3.508 0 40 IHAB O=C(CCc1ccc2c(c1)OCO2)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 32845781 TZOSEBBURUWMRM-UHFFFAOYSA-N 441.837 3.764 0 40 IHAB CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)N1CC=C(c2c[nH]c3ncccc23)CC1 32901939 BYPHPTLZUUKPND-OAQYLSRUSA-N 438.478 3.911 0 40 IHAB O=C(c1cccc(S(=O)(=O)N2CCCCC2)c1)N1CCC(Cc2ccccc2)CC1 8289699 QCRRASIFKSLIGG-UHFFFAOYSA-N 426.582 3.956 0 40 IHAB CCOc1ccc(-c2nnc(SCC(=O)N[C@@H](C)c3cccc(Cl)c3)n2N)cc1 9465878 SRUGQWAOIOVGJS-ZDUSSCGKSA-N 431.949 3.681 0 40 IHAB COc1ccc(OC)c(NC(=O)CN2CCN(Cc3csc4ccccc34)CC2)c1 22931906 JRGBZLDHBQVOEC-UHFFFAOYSA-N 425.554 3.675 0 40 IHAB CC[C@H](C(=O)NCc1ccccc1)N1CCN(Cc2ccc(Br)s2)CC1 22929861 YRQSDQYBOOQLFU-GOSISDBHSA-N 436.419 3.723 0 40 IHAB CC(C)OC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(Cl)cc3)CC2=O)cc1 993284 XYUHPLUJBVAHIK-KRWDZBQOSA-N 443.883 3.684 0 40 IHAB O=C(c1ccc(Cl)cc1)N1CCC[C@H](C(=O)N2CCN(Cc3ccccc3F)CC2)C1 23441256 XOFYHUQGLRWECM-FQEVSTJZSA-N 443.950 3.676 0 40 IHAB CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)c1 8942051 WQRPBLCEFBKJMV-UHFFFAOYSA-N 444.822 3.595 0 40 IHAB NC(=O)[C@@H]1CCCN(c2ccc(C(=O)N3CCC[C@H](c4nc5ccccc5o4)C3)cc2)C1 106134258 BGUKNPNAICKVRS-MOPGFXCFSA-N 432.524 3.549 0 40 IHAB Cc1cc(Br)c(Cl)cc1NC(=O)[C@@H](C)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 102085452 FJFUIZSRDOWKSF-AQQMGXQTSA-N 437.721 3.545 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)N(c2ccccc2)S(C)(=O)=O)c(Cl)c1 20050240 LXFGRYAHHNBERQ-SFHVURJKSA-N 438.933 3.700 0 40 IHAB COc1cc(NC(=O)CCS[C@H]2CCc3ccccc3NC2=O)cc(OC)c1OC 12407991 YHGWNKOREXABGQ-IBGZPJMESA-N 430.526 3.728 0 40 IHAB CCOc1ccc(N(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)S(=O)(=O)c2ccccc2)cc1 16691641 ATDDJUNKFWSNRI-NJNPRVFISA-N 428.554 3.585 0 40 IHAB O=C(CN1CCN(C(=O)Nc2ccccc2)CC1)Nc1ccc(N2CCCCCC2)cc1 57373535 ZTMDMPSEDGZQFW-UHFFFAOYSA-N 435.572 3.855 0 40 IHAB CCC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1OC 20009886 VZNRBEOPQUGAFV-MAUKXSAKSA-N 438.977 3.543 0 40 IHAB CCOc1ccc(-c2nnc(SCC(=O)Nc3ccc(Br)cc3)n2N)cc1 2366294 VEPTWPVFOPTXMF-UHFFFAOYSA-N 448.346 3.551 0 40 IHAB CCc1cccc(C)c1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(OC)ccc2OC)C1 408551865 JIEYAPCMXDXWGH-GOSISDBHSA-N 446.569 3.614 0 40 IHAB Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 36447019 UVZCRNWKIBZWSQ-DEOSSOPVSA-N 449.576 3.681 0 40 IHAB CC[C@H](C)NC(=O)CSc1nc2sc(-c3ccccc3)cc2c(=O)n1CCOC 11130853 GJJZAYNHGCAUPM-AWEZNQCLSA-N 431.583 3.778 0 40 IHAB C[C@H](OC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)C(=O)N1CCCc2ccccc21 11284281 YIQBUFDQCKPPBT-KRWDZBQOSA-N 438.499 3.589 0 40 IHAB O=C(C1CCC1)N1CCC2(CC1)COc1ccccc1S(=O)(=O)N(CC1CCCC1)C2 306133762 MVHKSXWDNUPFJP-UHFFFAOYSA-N 446.613 3.669 0 40 IHAB Cc1cc(NC(=O)CN2CCC(C(=O)NCc3ccccc3)CC2)ccc1Br 12770867 HPWWCCUKCBKWEG-UHFFFAOYSA-N 444.373 3.724 0 40 IHAB CC(C)[C@H](NC(=O)C1CCN(c2ccc(Cl)nn2)CC1)c1ccc2c(c1)OCCO2 13006113 YQCHRFSHGJHXLE-NRFANRHFSA-N 430.936 3.631 0 40 IHAB COc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1cc(Cl)ccc1OC 408661690 BVMRQFNBEFFQIJ-UHFFFAOYSA-N 434.876 3.648 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1C(=O)N1CCCCCC1 13646350 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C[C@@H]1CN(c2ncc3c(n2)CC(C)(C)C[C@@H]3NC(=O)Cc2ccc(F)cc2)C[C@@H](C)O1 12240865 XHJDBSXVOIKGCS-QINHECLXSA-N 426.536 3.602 0 40 IHAB O=C(CSC1=Nc2c(cnn2-c2ccccc2)C2=NCCCN12)Nc1ccc(F)cc1 12322789 PWVBTCPJKPLEHY-UHFFFAOYSA-N 434.500 3.837 0 40 IHAB COc1ccccc1-n1nnnc1SCC(=O)N(Cc1ccccc1)Cc1ccccc1 12567990 YGNPCBRNOXEUBE-UHFFFAOYSA-N 445.548 3.992 0 40 IHAB Cc1ccc(OCCNC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)cc1 12683387 CDEFTURMAFZSEA-UHFFFAOYSA-N 436.533 3.555 0 40 IHAB COc1cccc(CN(C)C(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1OC 12792253 UMCQVEAOLGBIPO-HXUWFJFHSA-N 440.540 3.661 0 40 IHAB O=C(c1ccc2c(c1)CCC2)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 12881519 PDDQFPZGURWRBJ-UHFFFAOYSA-N 439.364 3.629 0 40 IHAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 13096659 SMNZBKYWZPSQAL-CYBMUJFWSA-N 447.315 3.842 0 40 IHAB COc1ccccc1N1CCN([C@@H](c2ccc(F)cc2)c2nnnn2C2CCCC2)CC1 13503860 NJHGQRXXQGWBEU-QHCPKHFHSA-N 436.535 3.848 0 40 IHAB NC1=NC(SCC(=O)Nc2ccc(F)c(Cl)c2)=N[C@@H](c2c[nH]c3ccccc23)N1 13579094 XXXLTLJMLYPTMJ-KRWDZBQOSA-N 430.896 3.605 0 40 IHAB CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)N(Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 13759342 FSGDLKDCMCTAEZ-INMHGKMJSA-N 434.360 3.933 0 40 IHAB COc1ccc(N(CCC(=O)NC2CCCC2)S(=O)(=O)c2cccc(Cl)c2)cc1 15593425 SUVYSCNPBMAFOG-UHFFFAOYSA-N 436.961 3.993 0 40 IHAB CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)c1nnc(S(=O)(=O)Cc2ccccc2)o1 16010287 SZGZLAHRMIFTES-GOSISDBHSA-N 443.525 3.852 0 40 IHAB COc1ccc(Cc2nn(CC(=O)Nc3ccc(OC)cc3)c(=S)n2-n2cccc2)cc1 16807193 CDXJFHRCDSFJGD-UHFFFAOYSA-N 449.536 3.774 0 40 IHAB COc1ccc(/C=C/C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1 17096635 IXNSBCHLGFUXFI-GCZGVDRJSA-N 429.567 3.507 0 40 IHAB NC(=O)C1(N2CCCCC2)CCN(c2ncc(-c3ccncc3)c(-c3cccs3)n2)CC1 19343927 IVNFJLHAAAOKQJ-UHFFFAOYSA-N 448.596 3.577 0 40 IHAB O=C(C1CCCCC1)N1CCc2nc([C@@H]3CCCCN3C(=O)c3ccccc3)[nH]c(=O)c2C1 19368831 SQVPIUVZYIUHHI-QFIPXVFZSA-N 448.567 3.602 0 40 IHAB CC(C)Cc1cc(C(=O)N2CCNC(=O)[C@@H](Cc3ccc(-c4ccccc4F)cc3)C2)[nH]n1 19447413 FDRPVWGBOBDZTK-FQEVSTJZSA-N 448.542 3.845 0 40 IHAB CCc1nccn1CC(=O)N1CCC[C@@H]1c1nc(N(C)C)ncc1-c1ccc(Cl)cc1 19690116 GQQZJMGPZJMURA-LJQANCHMSA-N 438.963 3.986 0 40 IHAB CNc1nc([C@H]2CCCN2C(C)=O)nc2c1CN(Cc1c(C)[nH]c3ccc(F)cc13)CC2 19710813 HPGQBUNQHOGQTL-JOCHJYFZSA-N 436.535 3.689 0 40 IHAB Cc1ccc([C@H](c2nnnn2Cc2ccc(F)cc2)N2CCN(C3CCCC3)CC2)cc1 22929269 GHOBWHARYFVVNU-XMMPIXPASA-N 434.563 3.819 0 40 IHAB CCc1ccccc1NC(=O)CN1CCN([C@H](C)c2nnc(-c3ccc(C)cc3)o2)CC1 22929773 JZJLVGOCQBXANO-LJQANCHMSA-N 433.556 3.925 0 40 IHAB Cc1nn(C)c2ncc(C(=O)OCC(=O)NCc3ccc(-c4ccc(Cl)cc4)o3)cc12 24198481 HNQBEMFYOHNUOX-UHFFFAOYSA-N 438.871 3.663 0 40 IHAB COc1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCc3ccccc3C2)cc1 24925722 AFSQFAAAZOXAFX-UHFFFAOYSA-N 428.535 3.756 0 40 IHAB Cc1cccc(COc2cccc(C(=O)NCCCN3C(=O)NC4(CCCC4)C3=O)c2)c1 25325118 WDHMCRBDOYYWDA-UHFFFAOYSA-N 435.524 3.559 0 40 IHAB Cc1ccc(C(=O)C2CCN(Cc3nc(CNC(=O)c4ccccc4)no3)CC2)c(C)c1 26646650 NMGMLAGSEMIXRF-UHFFFAOYSA-N 432.524 3.711 0 40 IHAB Cc1cccc(-n2c(SCC(=O)NC[C@H]3CCCO3)nc3sc(C)c(C)c3c2=O)c1 28831556 FMQXILCQGLXCLN-QGZVFWFLSA-N 443.594 3.760 0 40 IHAB C[C@H]1CN(S(=O)(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)C[C@@H](C)O1 32895498 MPFBRSTXNCCJNO-YRNRMSPPSA-N 447.988 3.897 0 40 IHAB Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]2[C@H]2CCCN21 35844122 WFAMEJVXXNEJOG-NRGSMNHXSA-N 449.938 3.696 0 40 IHAB CC1CCN(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)c2c[nH]c3ccccc23)CC1 36722694 QHYRFAXLFZZJPY-JOCHJYFZSA-N 440.613 3.932 0 40 IHAB O=C1CCCN1Cc1cccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 39984886 KCDREYDWMITAQK-UHFFFAOYSA-N 431.458 3.790 0 40 IHAB COc1cc(Br)c(CN[C@@H](C)c2ccc(NS(C)(=O)=O)cc2)cc1OC 48340970 ZHLZTIZEJSZTOX-LBPRGKRZSA-N 443.363 3.689 0 40 IHAB CSc1ccc(-c2noc(Cn3ncn4nc(-c5cc(C)ccc5C)cc4c3=O)n2)cc1 49004344 TXKJBMPAFOVPAL-UHFFFAOYSA-N 444.520 3.995 0 40 IHAB COc1cc2c(cc1-c1nnc(SCC(=O)Nc3ccc(C)cc3)n1C)OCCCO2 64986925 IAOUXGSOTGAECD-UHFFFAOYSA-N 440.525 3.691 0 40 IHAB CC[C@@H](C)n1c(SCC(=O)Nc2cccc(NC(C)=O)c2)nc2cc(C)[nH]c2c1=O 67239169 AUIVEMIFDFMOLF-CYBMUJFWSA-N 427.530 3.693 0 40 IHAB CCOc1cc(Br)c(CC(=O)N[C@H](C)C(C)(C)CN(C)C)cc1OCC 72311470 MCUGRCPMUBIGML-CQSZACIVSA-N 429.399 3.882 0 40 IHAB Cn1cnc(S(=O)(=O)N2CCC[C@H](c3cccc(Cc4ccccc4Cl)n3)C2)c1 72350353 IQOCJHVUXKYBKP-KRWDZBQOSA-N 430.961 3.628 0 40 IHAB COc1cc([C@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)c(Br)cc1O 95381832 VGWDFXACJVBKKS-BLVKFPJESA-N 433.302 3.909 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC[C@H]3c3nccn3C)cc2)cc1C 95456708 ULCKXNNBYZOCRN-NRFANRHFSA-N 438.553 3.815 0 40 IHAB Cc1cccc(-c2noc(SCC(=O)N3CC[C@@H](N(C)C(=O)OC(C)(C)C)C3)n2)c1 95993698 IMPPEZDDMHEXQD-MRXNPFEDSA-N 432.546 3.605 0 40 IHAB CN(C)CCNC(=O)C[C@H]1CC2(CCN(C(=O)c3cccc(F)c3)CC2)c2ccccc21 96052888 WFMUJKDFZOVHFM-FQEVSTJZSA-N 437.559 3.555 0 40 IHAB Cc1nc(=S)[nH]c(C)c1CCC(=O)NCCN1C(=O)S/C(=C/c2ccccc2)C1=O 96879021 NSAZVLRHQGEDGE-SFQUDFHCSA-N 442.566 3.541 0 40 IHAB C[C@@H](NC(=O)[C@H]1C[C@@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2O1)c1ccc2c(c1)OCCO2 100180859 ZMVIGPBFQIFGMS-SPPGMIJKSA-N 448.519 3.590 0 40 IHAB CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)ccc1O 101148233 QBRWSSZSUDHTHM-ZLNRFVROSA-N 448.450 3.981 0 40 IHAB COc1ccc(OC)c([C@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)c1 102736655 QODSFRKLSWYKOD-KMDXXIMOSA-N 444.487 3.751 0 40 IHAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCc1nc(-c2ccc(OC)cc2OC)no1 219333617 DUGTVVTZXKSZTN-IBGZPJMESA-N 425.485 3.844 0 40 IHAB COc1cccc(-c2noc(CN(C)C(=O)[C@H]3CCCN(Cc4ccc(F)cc4)C3)n2)c1 222601191 OMLSKLOTSAEMOG-IBGZPJMESA-N 438.503 3.755 0 40 IHAB CC[C@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccccc1OC 223328799 DIDSBSNGUIKXQD-QGZVFWFLSA-N 439.339 3.934 0 40 IHAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-n3cnnc3)c2C)cc1 223751317 GRGVIWGISULJAU-YADHBBJMSA-N 445.552 3.589 0 40 IHAB Cc1ccc(OCCNC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc1Cl 224131807 FNDIYSLSNOQFCO-UHFFFAOYSA-N 446.956 3.763 0 40 IHAB Cc1cc(N2CCOCC2)nc(NC(=S)NCC2(c3ccc(F)cc3)CCCCC2)n1 225991134 OCLWNKQRHPZQJU-UHFFFAOYSA-N 443.592 3.949 0 40 IHAB COc1ccc(C(=O)N2CCN(C)[C@H](c3ccccc3OC)C2)cc1OCc1ccccn1 257314343 UWNUVSNUCSQNCZ-QFIPXVFZSA-N 447.535 3.807 0 40 IHAB CN1CCN(C(=O)Cc2ccccc2)C[C@H]1c1nnn2cc(-c3cccc(F)c3)ccc12 306141385 VUDIWARGXYGNFE-QHCPKHFHSA-N 429.499 3.593 0 40 IHAB O=C(O)CC[C@H](c1ccccc1)N1CCN(C(=O)c2cccc(Br)c2)CC1 408605727 GNGDCDXEBBPVIC-LJQANCHMSA-N 431.330 3.813 0 40 IHAB COc1ccc(NC(=O)COC(=O)CCC(=O)Nc2cccc(Cl)c2Cl)cc1 408661638 FXCSCGKCYVWTLR-UHFFFAOYSA-N 425.268 3.903 0 40 IHAB CCn1c(CNC(=O)c2ccccc2C)nn(CC(=O)N[C@@H](C)c2ccccc2)c1=S 409150993 FUEMYQOFNDIMKX-KRWDZBQOSA-N 437.569 3.550 0 40 IHAB C[C@@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2ccc(F)c(Cl)c2)n1C 409348319 SLNGDCYHHGSRQU-GFCCVEGCSA-N 447.923 3.829 0 40 IHAB COc1cc(/C=C2/SC(=O)N(C)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409353894 UFBNAVWZNZGUAL-YBFXNURJSA-N 426.494 3.996 0 40 IHAB CCc1cccc(CC)c1NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1C 409392936 UCQSFZIQAQQDRV-UHFFFAOYSA-N 430.570 3.922 0 40 IHAB O=C(O)c1cccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 585141349 TVJPOHSEGKNADC-KYNGSXCRSA-N 425.510 3.956 0 40 IHAB O=C(CCc1ccccc1)N[C@@H]1CCC12CCN(C(=O)Cc1noc3ccccc13)CC2 1614937313 MRBRTSYRKROUBX-HSZRJFAPSA-N 431.536 3.891 0 40 IHAB COc1ccc(NC(=O)C2=NO[C@@]3(CCCN(C(=O)/C=C/c4cccs4)C3)C2)cc1 2055835046 SXXGKNIXVGDPKE-CZQLGGELSA-N 425.510 3.546 0 40 IHAB O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccc(Cl)cc1Cl 798712 HRXSKTNXDVERTE-UHFFFAOYSA-N 429.325 3.795 0 40 IHAB O=C(N[C@@H]1CCCc2ccccc21)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 1361921 RQJJAKMMXJZCKL-LAUBAEHRSA-N 432.973 3.935 0 40 IHAB Cc1c(O[C@@H](C)C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)ccc2c3c(c(=O)oc12)CCC3 2108956 ANYNUAYZGOSFKZ-RJYGXOMWSA-N 425.525 3.511 0 40 IHAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(C)C)cc3)c(=O)n2[C@@H]1c1ccccc1 2697343 NAQPDMFXSQWJMM-FBHQFGEZSA-N 432.545 3.532 0 40 IHAB CCOc1ccc(-n2c(SCC(=O)N3CCC(C)CC3)nc3c(c2=O)SCC3)cc1 2719880 LUYKXMWBDHYEJS-UHFFFAOYSA-N 445.610 3.630 0 40 IHAB COc1ccccc1C(=O)Oc1ccc2cc(C(=O)NCCc3ccccc3)c(=O)oc2c1 2887465 DLBVJPNTTWRXKN-UHFFFAOYSA-N 443.455 3.993 0 40 IHAB CCOC(=O)c1cc(C(=O)c2cc(F)ccc2O)cn2c(=O)c3c(C)c(C)sc3nc12 3339749 OMUQRJSXGFQSLW-UHFFFAOYSA-N 440.452 3.778 0 40 IHAB CN(CC(=O)NC(c1ccccc1)c1ccccc1)S(=O)(=O)c1cccc(Cl)c1 3359866 LBQPSRDEUWAPQK-UHFFFAOYSA-N 428.941 3.866 0 40 IHAB CCCN(C(=O)CSc1nc2ccccc2n1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 8703907 LOKNBIBXSPXWKT-SFHVURJKSA-N 443.594 3.543 0 40 IHAB Cc1ccc(-n2c(SCC(=O)Nc3ccc4c(c3)OCO4)nnc2N2CCCC2)cc1 8720465 MRAOIJRMJAMXIS-UHFFFAOYSA-N 437.525 3.635 0 40 IHAB C[C@H](N[C@H](C)c1cc2ccccc2o1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 8734777 HRTKOYMCWMHMPW-SJORKVTESA-N 441.553 3.895 0 40 IHAB Cc1ccc(S(=O)(=O)N2CC(=O)O[C@@H](Cn3c4ccccc4c4ccccc43)C2)cc1 8844669 ZXYJHKWJTUNXSW-GOSISDBHSA-N 434.517 3.719 0 40 IHAB O=C(NC[C@H](c1ccsc1)N1CCCC1)C(=O)Nc1ccc(OC(F)(F)F)cc1 8864273 NZYRLRIWNJSPPQ-MRXNPFEDSA-N 427.448 3.539 0 40 IHAB Cc1c(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)sc2nc(-c3ccccc3)cn12 8871776 GDOPFNHYZUYPBT-UHFFFAOYSA-N 440.550 3.874 0 40 IHAB O=C(CCCc1ccccc1)Nc1c2c(nn1-c1ccc(Cl)cc1)CS(=O)(=O)C2 8910162 NAVOMYKKMGFCGG-UHFFFAOYSA-N 429.929 3.916 0 40 IHAB COc1ccccc1C(=O)N/C(=C\c1ccc(Br)cc1)C(=O)N1CCCC1 9057635 NEVIIVZKSNITKA-JXAWBTAJSA-N 429.314 3.851 0 40 IHAB O=C(CSc1nnc2sc3ccccc3n12)NC(=O)NC12CC3CC(CC(C3)C1)C2 9121175 NQKXLAFFHWMHKB-UHFFFAOYSA-N 441.582 3.831 0 40 IHAB Cc1ccccc1Nc1nc(N)nc(CSc2nnc(-c3cccnc3)n2C2CC2)n1 9206053 KODSTFAWLWRYOX-UHFFFAOYSA-N 431.529 3.787 0 40 IHAB CCOC(=O)c1sc(NC(=O)c2cc(=O)c3ccccc3o2)c(C(=O)OCC)c1C 9368012 LZOKEPGZHPDFCA-UHFFFAOYSA-N 429.450 3.769 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1CCC(C(=O)N2CCCCCC2)CC1 9416791 YHDPPYCQJKTCLW-UHFFFAOYSA-N 437.588 3.542 0 40 IHAB CCCCOc1cccc(C(=O)N(Cc2ccc(OC)cc2)[C@@H]2CCS(=O)(=O)C2)c1 9459818 LVEYDWIQFNMLGY-HXUWFJFHSA-N 431.554 3.704 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)Nc2nc(-c3ccccn3)cs2)cc1 9635421 YUWFXQQOZGFBDG-LJQANCHMSA-N 442.566 3.695 0 40 IHAB Cc1cc(NC(=O)[C@H](C)Oc2ccccc2)n(-c2ncnc3c2cnn3-c2ccccc2)n1 9661092 UHJKOVQWMFNHJY-KRWDZBQOSA-N 439.479 3.716 0 40 IHAB CCn1c(S[C@H](C)C(=O)c2ccc3c(c2)CCC3)nc2cc(S(N)(=O)=O)ccc21 9669987 DUWSVSLEIMWRLI-CYBMUJFWSA-N 429.567 3.556 0 40 IHAB CC(=O)C[C@]1(O)C(=O)N(CCOc2ccc(Cl)cc2)c2ccc(Br)cc21 9872933 DBDSGKRQUWUTAG-LJQANCHMSA-N 438.705 3.695 0 40 IHAB COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(OC)c3)C(=O)N2C2CCCC2)cc1 9933983 XSLKUFCBTMMURL-OAQYLSRUSA-N 437.496 3.812 0 40 IHAB COC(=O)c1c(NC(=O)COC(=O)c2c(-c3ccccc3)noc2C)sc(C)c1C 9962744 ZGQXLUAOXILLII-UHFFFAOYSA-N 428.466 3.910 0 40 IHAB CN(Cc1ccccc1)C(=O)COC(=O)CSc1nnc(NC2CCCCC2)s1 9988617 FTADEFMYXTTXQG-UHFFFAOYSA-N 434.587 3.577 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@H]3c3cccs3)CC2)cc1 10025618 VLFIWOBYSCHZCJ-HXUWFJFHSA-N 448.610 3.911 0 40 IHAB C[C@@H]1Cc2cc(C(=O)Nc3ccc4c(c3)OCO4)ccc2N1S(=O)(=O)c1ccccc1 10325797 BQFHCIKGPLEQFE-OAHLLOKOSA-N 436.489 3.808 0 40 IHAB C[C@H](Sc1nnc(C2CC2)n1Cc1ccco1)C(=O)N1CCN(c2ccccc2)CC1 10557789 AICVJQYUBSLFSA-KRWDZBQOSA-N 437.569 3.626 0 40 IHAB O=C(CN1c2ccc(Br)cc2-c2ccccc2S1(=O)=O)NCc1ccco1 11121172 SLCZDNDFORWJFY-UHFFFAOYSA-N 447.310 3.534 0 40 IHAB COc1ccc(-c2cc(C(=O)NCCC3=CCCCC3)nn2[C@H]2CCS(=O)(=O)C2)cc1 11997223 MBZKDMOMTIHFIH-IBGZPJMESA-N 443.569 3.539 0 40 IHAB Cc1cc2n(C[C@@H](O)COc3ccc(C(C)(C)c4ccccc4)cc3)c(C)cc(=O)n2n1 12755725 JIPKMXRDNNTQKT-JOCHJYFZSA-N 431.536 3.879 0 40 IHAB Cn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccc(OCc2ccccc2)cc1 13002017 XXGJRBFKSMUTSZ-UHFFFAOYSA-N 439.537 3.641 0 40 IHAB COc1cc(C2(CNS(=O)(=O)c3c(C)noc3C)CCCC2)ccc1OC(F)F 13004589 QUSXVEITGNEPEG-UHFFFAOYSA-N 430.473 3.692 0 40 IHAB CCC(=O)N(c1nnc(SCC(=O)Nc2ncc(Cl)cc2Cl)s1)C1CC1 13016952 BMEULLCRMCDATM-UHFFFAOYSA-N 432.358 3.876 0 40 IHAB CCn1c(S[C@H](C)C(=O)Nc2nc(C)cs2)nnc1[C@@H](C)NC(=O)c1ccccc1 13568114 UCKHKQFIDZRMPF-ZIAGYGMSSA-N 444.586 3.673 0 40 IHAB COC(=O)c1ccc2nc(NC(=O)CSc3nc4cc(OC)ccc4[nH]3)sc2c1 13568915 CIHICQLTENCOIM-UHFFFAOYSA-N 428.495 3.699 0 40 IHAB CC(C)OC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC(C)C)[C@H]1c1ccc(C(C)(C)C)cc1 13583206 UTHOPROUGTUCHE-PDFGSZSQSA-N 432.557 3.927 0 40 IHAB CC[C@@H](C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N[C@@H](C)CCc1ccccc1 13608494 ZOCGGZZQBTWWMG-STSQHVNTSA-N 436.556 3.707 0 40 IHAB COc1ccc2c(C)c(CC(=O)NCCc3c[nH]c4ccc(F)cc34)c(=O)oc2c1OC 13608863 FKDMFGKRHRKVPN-UHFFFAOYSA-N 438.455 3.640 0 40 IHAB O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 13677740 YLJFQXSSDQIJRZ-CRFBAAHOSA-N 445.412 3.840 0 40 IHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](CC)N(c1ccc(C)cc1)S(C)(=O)=O 13686147 XKRKPSSTHZXSJC-UWJYYQICSA-N 445.585 3.707 0 40 IHAB CC[C@@H](C(=O)NCCSCc1cccc(C)c1)N(c1ccc(F)cc1)S(C)(=O)=O 13715532 OYGPSDPKTCCBDF-FQEVSTJZSA-N 438.590 3.728 0 40 IHAB CCc1cc(Br)cc(CC)c1NC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O 13856065 PCLVTRBPFFYJPV-QXGSTGNESA-N 447.373 3.934 0 40 IHAB Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 14236814 LBGPRPPVKKNNPP-UHFFFAOYSA-N 430.507 3.546 0 40 IHAB O=C(CCC1CCCCC1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 15316256 STWRIEQKSDLVEF-UHFFFAOYSA-N 449.617 3.607 0 40 IHAB C[C@@H](OC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O)C(=O)c1cccc(Cl)c1 18328421 RGFGSBQMJKLOIL-CXAGYDPISA-N 441.867 3.543 0 40 IHAB Cc1cnc(C(=O)N2CCc3nc(-c4cccnc4)nc(Oc4ccc(F)cc4)c3C2)cn1 19238931 DJPNMPQRZYCEDL-UHFFFAOYSA-N 442.454 3.767 0 40 IHAB CCCN1CCN(C(=O)c2ccn(C)n2)C[C@@H](Cc2cccc(-c3ccccc3F)c2)C1=O 19503035 PYWAQVLKXMYKOU-OAQYLSRUSA-N 448.542 3.780 0 40 IHAB CCN1CCN(C(=O)c2ccnn2C)C[C@H](Cc2ccc(-c3cccc(C)c3)cc2)C1=O 19527317 BWPSGAOGFLTGFQ-QHCPKHFHSA-N 430.552 3.559 0 40 IHAB Cc1nonc1CC(=O)N1CCC[C@@H](c2nc(N(C)C)ncc2-c2ccc(Cl)cc2)C1 19693910 QDCQEMQWBHEMCK-MRXNPFEDSA-N 440.935 3.503 0 40 IHAB Cc1cc(C)n(CC(=O)N2CCC[C@@H](c3nc(N(C)C)ncc3-c3ccc(F)cc3)C2)n1 19694021 LCEGINHLFOTEPZ-LJQANCHMSA-N 436.535 3.568 0 40 IHAB Cc1cccc(CN2CCC[C@@H](c3nc(N(C)C)ncc3-c3ccc(C(N)=O)cc3)C2)c1 19694549 FOZFHVPTFHPZKW-JOCHJYFZSA-N 429.568 3.997 0 40 IHAB Cc1ccccc1OCCN1C(=O)CCc2c(C)nc(CN(C)C(=O)c3ccccc3)nc21 19698408 POQPVFZVCFBCFB-UHFFFAOYSA-N 444.535 3.724 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N[C@@H]2CCCc3ccccc32)cc1C 20015621 YRPGHOKEXSTGLU-OAQYLSRUSA-N 430.570 3.598 0 40 IHAB Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)N[C@H](C)c1ccc(Cl)cc1 20021497 UWPBWFVZEJHOSL-MRXNPFEDSA-N 438.977 3.839 0 40 IHAB CCN1c2cc(OC)c(OC)cc2C(C)=C(C(=O)Nc2ccc(F)cc2F)S1(=O)=O 20064065 ZXOYWTAQEGPBNW-UHFFFAOYSA-N 438.452 3.521 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(N2CCCCC2)cc1 20492293 RVMNURULFCDTTA-UHFFFAOYSA-N 437.525 3.520 0 40 IHAB C[C@@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 21601460 ZZWIRAGXCCRAEU-LLVKDONJSA-N 438.962 3.586 0 40 IHAB COc1cc(Cl)c(C)cc1NS(=O)(=O)c1c(C)nc2sc3ccccc3n2c1=O 21883935 MWHFGYMNFIKPCS-UHFFFAOYSA-N 449.941 3.989 0 40 IHAB COc1cc(CNCCCSc2nnnn2C)ccc1OCc1ccc(Cl)cc1 22109138 LUMHVWXKISTSQK-UHFFFAOYSA-N 433.965 3.723 0 40 IHAB Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)NCCCOC1CCCCC1 24481994 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IHAB CSc1nnc(CCCNS(=O)(=O)c2ccc(C)c(Cl)c2)n1C1CCCC1 40149691 GSIPJIUDWJUGQI-UHFFFAOYSA-N 429.011 3.988 0 40 IHAB O=C(Cn1c(=O)cc(-c2nc(C3CC3)no2)c2ccccc21)NCc1ccccc1Cl 49401324 YEDNLMAXRKQVAA-UHFFFAOYSA-N 434.883 3.899 0 40 IHAB CCc1ccc(NC(=O)CN2CN(c3ccc(C)cc3)c3ncccc3S2(=O)=O)cc1 49411407 AUPZSXVDAAEZTL-UHFFFAOYSA-N 436.537 3.691 0 40 IHAB CCOC(=O)C1=C(CN(CC)Cc2ccccc2)NC(=O)N[C@@H]1c1ccc(OCC)cc1 57415477 DYRKRALXMQZDAL-HSZRJFAPSA-N 437.540 3.779 0 40 IHAB COC(=O)c1ccc(C)c(NC(=O)N2CCC(C(=O)Nc3ccccc3OC)CC2)c1 58858109 QDVOSAHGKGITPH-UHFFFAOYSA-N 425.485 3.673 0 40 IHAB C[C@@H](Cc1ccc(N(C)C)cc1)NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 62580356 FIKQBSCZRQKJHA-INIZCTEOSA-N 443.594 3.976 0 40 IHAB O=C(NCc1ccc(Br)cc1)c1cc(Cn2cc(-c3ccncc3)cn2)on1 66089081 KIWAETFWABJSOL-UHFFFAOYSA-N 438.285 3.674 0 40 IHAB CCc1noc(-c2ccnc(-n3cnc(C(=O)NCc4ccc(F)cc4Cl)c3)c2)n1 71768526 ORHDYTVYNCQSGV-UHFFFAOYSA-N 426.839 3.602 0 40 IHAB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1cccc(-n2ccnc2)c1 72287247 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O=S(=O)(Cc1cccc(Br)c1)NCc1nc(-c2cccc(Cl)c2)no1 223636687 INGXKIFZTUGQAI-UHFFFAOYSA-N 442.722 3.772 0 40 IHAB CC[C@@H](NC(=O)CN(c1c(C)cc(C)cc1C)S(C)(=O)=O)c1ccc(OC)c(C)c1 223727667 AUSQDCKEXGVJGK-HXUWFJFHSA-N 432.586 3.962 0 40 IHAB CCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(N2CCOCC2)cc1 223953847 VXRUWSGVNSFVBF-XZOQPEGZSA-N 433.581 3.917 0 40 IHAB COc1ccc(CCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NCC(C)C)cc1OC 224103945 XSEWOPRWTBXJTI-IBGZPJMESA-N 426.557 3.826 0 40 IHAB CCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc(OC)cc1 224556938 BOLIVJAEGYYQFM-JOCHJYFZSA-N 444.597 3.881 0 40 IHAB Cc1ccccc1OCCNC(=O)CCCN(c1cccc(OC(C)C)c1)S(C)(=O)=O 224909654 NYJMCLOZRYXVAI-UHFFFAOYSA-N 448.585 3.524 0 40 IHAB CSc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)cc1NC(=O)C(C)C 225017752 IVLYFEHBYDLKIO-UHFFFAOYSA-N 449.598 3.640 0 40 IHAB O=c1sc2cc(S(=O)(=O)NCc3ccccn3)ccc2n1Cc1ccc(Cl)cc1 225784948 ASRKXOXWKORMBU-UHFFFAOYSA-N 445.953 3.638 0 40 IHAB O=C(CCn1ncc2c1CCCC2)N1CCO[C@@H](c2ccc(Cc3ccccc3F)cn2)C1 257230175 GBEBYGRZSFXWEK-RUZDIDTESA-N 448.542 3.877 0 40 IHAB O=C1CCC(=O)N1c1ccc(C(=O)N(CCn2ccc(C(F)(F)F)n2)C2CCCC2)cc1 390831214 QLXHORKGKMRCNU-UHFFFAOYSA-N 448.445 3.640 0 40 IHAB COc1ccccc1N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)S(C)(=O)=O 408617163 IDIFZPDXRWNNBS-UHFFFAOYSA-N 436.839 3.772 0 40 IHAB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O)c1ccc(F)cc1 408642249 DUCOXNFYQOYXPY-KDURUIRLSA-N 442.874 3.894 0 40 IHAB Cc1cc(C)cc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Br)cc2)c1 408662555 JTDUTFMIVDTMBQ-UHFFFAOYSA-N 433.302 3.967 0 40 IHAB COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cccs3)C2=O)ccc1Cl 409151008 FMSCCVVIJLWTFU-RIYZIHGNSA-N 436.898 3.863 0 40 IHAB O=C(N[C@@H](c1ccccn1)[C@@H]1CN(Cc2ccc(F)c(F)c2)CCO1)c1cccc(F)c1 2037834595 TZTWLZVWKYJAOC-GOTSBHOMSA-N 441.453 3.871 0 40 IHAB CN1CCC(NC(=O)C2(Cc3cccc(-c4cc(F)ccc4O)c3)CCOCC2)CC1 2037838647 UGHXVRGHUSNNQD-UHFFFAOYSA-N 426.532 3.748 0 40 IHAB Cc1cccc(N(C(=O)c2ccccc2)[C@@H]2CS(=O)(=O)C[C@H]2OC(=O)c2ccccc2)c1 6142362 KGRXKQPYJIBNJG-DHIUTWEWSA-N 449.528 3.664 0 40 IHAB CSc1nc(N2CCCC2)c2cnn(CCNC(=O)Cc3cccc4ccccc34)c2n1 8946801 RXKWGODZPOMNBE-UHFFFAOYSA-N 446.580 3.661 0 40 IHAB COc1ccc2nc(C[C@H]3[C@H](O)c4ccccc4S(=O)(=O)N3CC(C)C)ccc2c1 8993297 STZZSGYDVYDBBB-JTHBVZDNSA-N 426.538 3.548 0 40 IHAB CCC(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1 8994337 LDYCIMGWUGEDON-UHFFFAOYSA-N 430.511 3.545 0 40 IHAB COc1ccccc1NC(=O)c1cc(S(=O)(=O)NCc2ccc(F)cc2)ccc1F 9439461 LQHSHVKSTFBRAH-UHFFFAOYSA-N 432.448 3.704 0 40 IHAB O=C(NCCc1csc2nc(-c3ccc(Cl)cc3)nn12)C(=O)Nc1ccc(F)cc1 9569047 KAURJEFASDDTPU-UHFFFAOYSA-N 443.891 3.548 0 40 IHAB COc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1S(=O)(=O)N(C)C 9668548 YNVFWXIOMRNZKO-UHFFFAOYSA-N 426.494 3.990 0 40 IHAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccc(-c3cn4ccsc4n3)cc1)C2=O 9713867 AJVNPBYSLJBZCK-PEBXRYMYSA-N 437.525 3.502 0 40 IHAB COc1ccc([C@H]2CCCN2CC(=O)Nc2cc(Cl)ccc2-n2cncn2)c(OC)c1 9728516 SSQYMAUMHYUSFA-LJQANCHMSA-N 441.919 3.714 0 40 IHAB COc1ccc(-c2nnc(O)c3c2[C@H](c2ccc(Cl)cc2Cl)n2nnnc2N3)cc1 10295598 YBLPMQAZBRNFFZ-KRWDZBQOSA-N 442.266 3.846 0 40 IHAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1c[nH]nc1-c1ccc2c(c1)OCCO2 10307670 VVJAQFZBQNNLTQ-UHFFFAOYSA-N 443.507 3.640 0 40 IHAB O=C(CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)N1CCc2sccc2C1 10572656 XDDBHNAMVDCQHA-HNNXBMFYSA-N 446.623 3.924 0 40 IHAB O=C(N[C@@H]1C[C@@]2(CCC(=O)N(Cc3ccccc3)CC2)Oc2ccccc21)c1cnccn1 12086488 PUODGUYPIWSJRA-RLWLMLJZSA-N 442.519 3.682 0 40 IHAB CC(C)(C(=O)N1CCC(Nc2nc3c(c(=O)[nH]2)CCCC3)CC1)c1ccc(Cl)cc1 12113696 PESFZHBYDNVCKA-UHFFFAOYSA-N 428.964 3.683 0 40 IHAB CCC(CC)C(=O)N1CCC(Cn2nc(-c3ccc(OC)c(OC)c3)ccc2=O)CC1 12156009 VWWVLRWCAAZGFI-UHFFFAOYSA-N 427.545 3.602 0 40 IHAB CCS(=O)(=O)N1CCC[C@@H]1c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 12230341 AYJYPOLDNZRHNJ-CYBMUJFWSA-N 430.477 3.963 0 40 IHAB CC(C)C[C@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)NCc1cccnc1 12324460 PJBPPTMXVFKSRD-FQEVSTJZSA-N 447.564 3.943 0 40 IHAB O=C(Cn1c(=O)cc(C(=O)N2CCCC2)c2ccccc21)Nc1cccc(C(F)(F)F)c1 12360187 ZTVLXBNSRWGFMZ-UHFFFAOYSA-N 443.425 3.895 0 40 IHAB biogenic,in-vitro CC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NCc1cccnc1-n1ccnc1 12525376 QOICINMWIDZBLS-NRFANRHFSA-N 433.556 3.636 0 40 IHAB CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(Br)cc2C)C1=O 12549982 BJHQFCNRUHDBTL-NRFANRHFSA-N 444.329 3.943 0 40 IHAB CCOc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1 12590459 JBGONXHJWULGCR-QUCCMNQESA-N 448.610 3.911 0 40 IHAB COC(=O)c1sccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 12729844 DVVIRLULJOYNHY-UHFFFAOYSA-N 442.946 3.615 0 40 IHAB COc1cc2c(cc1OC)CN(C(=O)N[C@@H](CCSC)C(=O)Nc1ccccc1)CC2 12894404 DIKZOCUTKMGGCD-IBGZPJMESA-N 443.569 3.532 0 40 IHAB biogenic Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-c4ccc(F)cc4)o3)CC2)cc1 12907746 VPCUINFFKXXBLS-UHFFFAOYSA-N 428.485 3.541 0 40 IHAB COC(=O)c1cc(Cl)c(NC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1OC 12919295 BLTOXXVMMLCOEF-UHFFFAOYSA-N 436.917 3.688 0 40 IHAB COc1ccc(-c2nc(NC(=O)CN3C(=O)N[C@@]4(CCCC[C@H]4C)C3=O)sc2C)cc1 12993116 WUZFFWVCLKTOFB-MCMMXHMISA-N 442.541 3.566 0 40 IHAB O=C1N[C@H](c2ccccc2C(F)(F)F)[C@H](C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 13303348 MWETWNSKBPIWLJ-CKEIUWERSA-N 432.320 3.809 0 40 IHAB COC(=O)c1ccc(NC(=O)Cc2csc(-c3cc(OC)c(OC)c(OC)c3)n2)cc1 13730792 VILBETNTLJRINU-UHFFFAOYSA-N 442.493 3.804 0 40 IHAB O=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1CN1CCC[C@H](C(F)(F)F)C1 14068135 CODOVNOUHLWOIS-UGKGYDQZSA-N 431.458 3.908 0 40 IHAB CCCNC(=O)CN1CCN(c2nc(-c3cccs3)nc3sc(C)c(C)c23)CC1 14183937 OOTJPLAKDUFSJV-UHFFFAOYSA-N 429.615 3.685 0 40 IHAB Cc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1S(=O)(=O)N1CCOCC1 14824913 RRGJWSCWDOJBPL-UHFFFAOYSA-N 429.325 3.575 0 40 IHAB COc1ccc(CN(C)C(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1OC 15440127 RONXMMGQXXMJMC-UHFFFAOYSA-N 446.550 3.838 0 40 IHAB COc1ccc(C)cc1NC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2)cc1 16291004 CFODVMNOHCDXSQ-UHFFFAOYSA-N 426.494 3.822 0 40 IHAB COc1c(C(=O)NC(=S)NCc2cccnc2)cc2ccccc2c1Br 17096771 OUCZJHKIHJQQDC-UHFFFAOYSA-N 430.327 3.810 0 40 IHAB CC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2cccc3ccccc23)CC1 17098078 VAAGITUJQFLZNQ-UHFFFAOYSA-N 432.549 3.635 0 40 IHAB CCc1ccc(CN(C)C(=O)CN2C(=O)N[C@](C)(c3ccc(C(C)(C)C)cc3)C2=O)cc1 18350819 AMMCLKQMKUJUEB-AREMUKBSSA-N 435.568 3.972 0 40 IHAB CCn1ncc(CN2CCC([C@H]3C[C@@H](C(=O)Nc4ccc(F)cc4)CN3C)CC2)c1C 19523931 WASZKEBCFSFDHY-AUSIDOKSSA-N 427.568 3.522 0 40 IHAB COc1ccc(OC)c(C(=O)N2CCC(c3nc(-c4ccsc4)cc(=O)[nH]3)CC2)c1 19551020 BXKBWOVMOYSHIV-UHFFFAOYSA-N 425.510 3.535 0 40 IHAB CNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCN(C(=O)Cc2ccccc2OC)C1 19591517 JGIZOKZWPILIPS-MHZLTWQESA-N 443.547 3.507 0 40 IHAB Nc1n[nH]c2nc([C@H]3CCCCN3CC(=O)Nc3ccccc3F)cc(C(F)(F)F)c12 19743406 DMXAGUVDRAECBA-OAHLLOKOSA-N 436.413 3.864 0 40 IHAB COc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCn3ccnc3C)CC2)c1 19746582 FJZPSNBXKGNVMY-HSZRJFAPSA-N 438.572 3.524 0 40 IHAB COc1cccc(CNC(=O)c2cnc([C@@H]3CCN(C(=O)C4CCCCC4)C3)nc2C)c1 19757940 BETVSFUSNZBNHI-HXUWFJFHSA-N 436.556 3.620 0 40 IHAB COc1ccc(S(=O)(=O)c2cnc3cc(OC)c(OC)cc3c2N2CCCC2)cc1 20381768 XNYGWJJKQGLKCD-UHFFFAOYSA-N 428.510 3.694 0 40 IHAB COc1cccc2c([C@@H](C(=O)O)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c[nH]c12 20726536 TZCMVLHUXVKZHM-IBGZPJMESA-N 434.418 3.538 0 40 IHAB Cc1nn(-c2ccccc2Cl)c2sc(C(=O)OCC(=O)NC[C@@H]3CCCO3)cc12 20969410 QVJDWVJGJZIVEN-ZDUSSCGKSA-N 433.917 3.501 0 40 IHAB Cc1cc(=O)c(C(=O)Nc2nc(CN3CCCCC3)cs2)nn1-c1ccc(Cl)cc1 22290007 UGXSJUHYKLCZFS-UHFFFAOYSA-N 443.960 3.889 0 40 IHAB Cc1nn(CC(C)C)c2sc(C(=O)N[C@H](CN3CCOCC3)c3ccccc3)cc12 22357361 KTJZUDKVPIDMJD-HXUWFJFHSA-N 426.586 3.866 0 40 IHAB CCOc1ccccc1CNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 22430036 UVVYBJJYXFNYCU-UHFFFAOYSA-N 438.549 3.905 0 40 IHAB O=C(NC1CC1)c1ccc(NC(=O)c2cnn(-c3ccccc3F)c2-n2cccc2)cc1 24470243 LVUKVAKSUUQAPC-UHFFFAOYSA-N 429.455 3.947 0 40 IHAB O=C(c1ccc(CSc2ccc(S(=O)(=O)N3CCCCC3)cn2)cc1)N1CCCC1 24933517 KEXCKUWVTCCPCE-UHFFFAOYSA-N 445.610 3.785 0 40 IHAB O=C(NCc1ccc(Cl)cc1Cl)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 31483997 BSTOBOAENUQYJM-OAHLLOKOSA-N 427.353 3.711 0 40 IHAB O=C(c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)N1CCC[C@@H]1c1cccnc1 31942196 XCTBYZOMIXZHHF-JOCHJYFZSA-N 433.533 3.810 0 40 IHAB COc1ccc2nc(-n3ncc4c3N=C(O)C[C@@]43C(=O)N(C)c4ccccc43)sc2c1 32102884 AAVXKQUVWCAZIV-QFIPXVFZSA-N 431.477 3.745 0 40 IHAB COc1cccc(C(=O)NC(=S)Nc2cc(-c3nn4c(C)nnc4s3)ccc2C)c1 32126672 WDNHKUDWCYRYMF-UHFFFAOYSA-N 438.538 3.605 0 40 IHAB COc1ccc([C@H]2CCCN2C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1OC 32895137 CNJPQAUMEMSTPT-MRXNPFEDSA-N 425.453 3.677 0 40 IHAB CN(CCOc1ccc(Cl)cc1)C(=O)CSc1ccc(C(=O)N2CCCC2)cn1 32907202 VYUBLCZGWXZDQK-UHFFFAOYSA-N 433.961 3.601 0 40 IHAB COc1ccc(-c2nn3c(=O)cc(CNC(=O)Nc4cc(C)ccc4C)nc3s2)cc1 32996083 AJXAISNZQBFXNK-UHFFFAOYSA-N 435.509 3.765 0 40 IHAB Cc1cccc(OCC(=O)Nc2ccc(C)c(OCc3cc(=O)n4ccccc4n3)c2)c1 33268543 CSUVJTIAAWRIAL-UHFFFAOYSA-N 429.476 3.908 0 40 IHAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 34805893 GSTNYNXFUCALJW-SNVBAGLBSA-N 436.839 3.673 0 40 IHAB O=C(NCCc1cccc2cccnc12)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 39548135 WCLHJQNQEQLNKZ-UHFFFAOYSA-N 443.956 3.645 0 40 IHAB CCOc1ccccc1NC(=O)Cn1c(=O)n(-c2cccc(C)c2)c(=O)c2sccc21 57490065 VWIWOASXZVZDKL-UHFFFAOYSA-N 435.505 3.560 0 40 IHAB CCN(Cc1cccc(NC(=O)[C@H](OC[C@@H]2CCCO2)C(C)C)c1)C(=O)C(F)(F)F 58045079 JTCDXFQXWUIHQN-ZWKOTPCHSA-N 430.467 3.756 0 40 IHAB COC(=O)c1ccc(NC(=O)N[C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)cc1 58197625 KMGZOPHTSLXVSY-GOSISDBHSA-N 449.429 3.977 0 40 IHAB O=C(/C=C/c1cc(Br)ccc1F)N1CCC(CCN2CCOCC2)CC1 61648770 QFXYEXCKFLVQLA-DAFODLJHSA-N 425.342 3.562 0 40 IHAB CCOC(=O)C1=C(CN2CC=C(c3ccccc3)CC2)NC(=O)N[C@@H]1c1ccccc1OC 67287476 FQHWYIAWHMHTPG-XMMPIXPASA-N 447.535 3.656 0 40 IHAB CN(C)C(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCCN(C(=O)COc2ccccc2)C1 72395988 NSRVOGFPROHRJB-SANMLTNESA-N 447.535 3.660 0 40 IHAB Cc1nc(Cl)ccc1C(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 89536885 DOUAHBHWDAHYEI-KRWDZBQOSA-N 427.854 3.866 0 40 IHAB Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)OCCCn3ccnc3C)c2)c1 89672862 LOBVANYEQUYFSW-UHFFFAOYSA-N 427.526 3.856 0 40 IHAB Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)N[C@@H](CCO)C2CCCCC2)cc1 89690595 XWTFIURRHFLEBM-QFIPXVFZSA-N 430.570 3.857 0 40 IHAB C[N+](C)(C)C[C@H](CCCCCCC(=O)O)O[P@@](=O)(O)Oc1ccc([N+](=O)[O-])cc1 97974120 XOSAFASROQYQAE-KRWDZBQOSA-O 433.418 3.591 0 40 IHAB O=C(OCc1ccccc1)[C@@H]1[C@@H]2C=C[C@]3(CN(c4cccc(C(F)(F)F)c4)C(=O)[C@H]13)O2 100168791 VYTHPKMZKZLIDA-LMVRJCEZSA-N 429.394 3.735 0 40 IHAB COc1ccc(NC(=O)c2ccc(N3C(=O)[C@H]4[C@@H]5C[C@H](C=C5C)[C@@H]4C3=O)cc2)c(OC)c1 102641748 CEDSGCWLYGCYIV-XSLZUNGDSA-N 432.476 3.658 0 40 IHAB CCOC[C@@]1(C(N)=S)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 218659320 SSTZKBZTJDEKRK-LNLFQRSKSA-N 427.950 3.728 0 40 IHAB Cc1ccc(N([C@H](C)C(=O)N[C@@H](C)COc2ccccc2C)S(C)(=O)=O)cc1Cl 220373132 ODVMYIMDGRJGLI-DLBZAZTESA-N 438.977 3.695 0 40 IHAB COc1cc(OC)cc(OCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCC2)c1 223745102 OJDQRVMCRRKUNR-GOSISDBHSA-N 440.540 3.559 0 40 IHAB CCOC(=O)c1c(NS(=O)(=O)c2ccc(C)c(C(=O)OC)c2)sc2c1CCCC2 223868964 ABJCOYYROQOZSF-UHFFFAOYSA-N 437.539 3.699 0 40 IHAB CC[C@H](C(=O)NCCOc1cc(C)ccc1C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 224018628 RGHLKQNGWSIZIM-OAQYLSRUSA-N 432.586 3.660 0 40 IHAB Cc1ccc(Cl)cc1N(CCCC(=O)NCCc1ccc(F)cc1)S(C)(=O)=O 224049636 BYYPVCXWXNKUMK-UHFFFAOYSA-N 426.941 3.693 0 40 IHAB CC(C)(C)c1ccc(N(CC(=O)Nc2nnc(-c3ccccc3)s2)S(C)(=O)=O)cc1 224777179 PFSCVSXGMKKBGA-UHFFFAOYSA-N 444.582 3.907 0 40 IHAB C[C@@H]1C[C@@H](C)CN(c2cc(Cl)nc(NC(=S)NCc3ccc4c(c3)OCO4)n2)C1 226013841 QLIYAOMAQRSQIE-CHWSQXEVSA-N 433.965 3.828 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N(C)c1ccccc1)Cc1ccccc1 226045840 YEIZENOBSASKQZ-UHFFFAOYSA-N 438.549 3.858 0 40 IHAB COc1ccc(-c2ncc(C(=O)Nc3cccc(-c4nc(C)cc(=O)[nH]4)c3)c(C)n2)cc1 226096184 NWOXHQJGFUFBOZ-UHFFFAOYSA-N 427.464 3.772 0 40 IHAB Cn1cc(C([C@@H]2C(=O)CC(C)(C)C[C@@H]2O)[C@@H]2C(=O)CC(C)(C)C[C@@H]2O)c2ccccc21 248163749 YWTKGOCKRQCYLM-BTDFZRAWSA-N 425.569 3.994 0 40 IHAB O=C(Nc1cc(CCC2CCN(C(=O)c3cnccn3)CC2)ccn1)c1ccc(F)cc1 257211940 CBEIKFTXQRSWJH-UHFFFAOYSA-N 433.487 3.748 0 40 IHAB c1cncc(COc2ccccc2CN2CCOC[C@H](Cc3nccn4cccc34)C2)c1 257220973 DNAQTAZDHKOTOO-JOCHJYFZSA-N 428.536 3.999 0 40 IHAB CN(C)CCOc1ccccc1C(=O)N1CCC[C@@H](c2cccc(Nc3cnccn3)n2)C1 257221487 DPFJIENUSVJBOO-LJQANCHMSA-N 446.555 3.575 0 40 IHAB CC[C@H](C)C(=O)N1CCC[C@H]1c1cc2nc(C)c(CCC(=O)N3CCCC3)c(C)n2n1 257257862 KRJZIZXNVPLOAK-KKSFZXQISA-N 425.577 3.611 0 40 IHAB CN(C)c1nc2ccccc2cc1CN1CCO[C@H](c2cccc(-c3cncnc3)n2)C1 257312771 UPLJCYQSPWTLDY-DEOSSOPVSA-N 426.524 3.726 0 40 IHAB CC(=O)Nc1ccc(C(=O)N2CCNC(=O)[C@@H]2Cc2ccccc2-c2cccc(C)c2)cc1 257324988 WQZZAROLIDRRIE-VWLOTQADSA-N 441.531 3.804 0 40 IHAB O=C(CCc1nc2ccccc2[nH]1)N1CCO[C@@H](c2cncc(-c3cccc(F)c3)n2)C1 257327767 XCPUACOROIAUKX-JOCHJYFZSA-N 431.471 3.692 0 40 IHAB O=C1N(Cc2ccsc2)CCO[C@@]12CN(Cc1ccc(F)cc1)C[C@@H]2c1cccnc1 306124899 CBVLAKFNIALMSF-ISKFKSNPSA-N 437.540 3.679 0 40 IHAB COc1ccc(F)cc1-c1ccc2nc([C@H]3CCCN(C(=O)c4cccn4C)C3)nn2c1 306145070 ZWVVMLSZGBCRHH-KRWDZBQOSA-N 433.487 3.902 0 40 IHAB CCOc1ccc(S(=O)(=O)Nc2ccc(Br)cc2F)cc1NC(C)=O 408558668 JYNQQUKDGIGKFX-UHFFFAOYSA-N 431.283 3.746 0 40 IHAB CSc1cccc(NC(=O)CN(Cc2ccc(Br)cc2)S(C)(=O)=O)c1 408618699 FBVPBJGOSBEPIZ-UHFFFAOYSA-N 443.388 3.571 0 40 IHAB O=C(N[C@@H](Cn1ccccc1=O)c1ccccc1)N1CCCN(c2ccccc2F)CC1 504444449 VDKPMVNVOLJTNC-QFIPXVFZSA-N 434.515 3.651 0 40 IHAB Cc1nn(Cc2ccccc2C(F)(F)F)c(C)c1S(=O)(=O)N(C)Cc1ccco1 505701532 XWQSAJXMRFHDIS-UHFFFAOYSA-N 427.448 3.981 0 40 IHAB Cc1cc(C)n(C[C@@H]2CN(C(=O)[C@H](c3ccccc3)N3CCc4ccccc43)CCO2)n1 601008490 YHVKHOVMBOULCX-ZCYQVOJMSA-N 430.552 3.531 0 40 IHAB O=C(NCc1cccc2ccccc12)N1CC[C@H](Oc2ncc(Br)cn2)C1 606440848 JOVKVLXWTSTSAW-KRWDZBQOSA-N 427.302 3.755 0 40 IHAB O=C1Nc2ccccc2[C@@H]1C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)CC1 1251489034 LJPPPUJQVVYJFG-CPJSRVTESA-N 443.547 3.503 0 40 IHAB Cc1ccc(C)c(N2C(=O)N(CC(=O)NC3CCCCC3)c3ccccc3S2(=O)=O)c1 1889110029 JUTIJHAWJOUZFO-UHFFFAOYSA-N 441.553 3.888 0 40 IHAB C[C@H]1CN(C[C@@H]2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4c4ccc(Cl)cc4)C[C@@H]3O2)C[C@@H](C)O1 2056225281 IEMIHQRQALFGJM-USODIDEGSA-N 432.992 3.559 0 40 IHAB CCOc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2C[C@H]2CCCO2)cc1 907254 PDBZZROGSOMSJK-LJQANCHMSA-N 439.541 3.649 0 40 IHAB CCOc1cc(-c2nc(C)c(C(C)=O)n2O)ccc1OCC(=O)Nc1ccc(F)cc1 1420906 RWOYAUNBGJCPSJ-UHFFFAOYSA-N 427.432 3.854 0 40 IHAB Cc1c(CC(=O)NCC(=O)O)c(=O)oc2cc3occ(-c4ccc(Cl)cc4)c3cc12 2122797 QFSHCSXGJQLDEZ-UHFFFAOYSA-N 425.824 3.911 0 40 IHAB biogenic O=C(CCCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)NCCc1ccccc1Cl 2975237 KVVAPYJFHVNLBS-UHFFFAOYSA-N 445.928 3.580 0 40 IHAB COc1cc(/C=C2/N=C(c3cccc(F)c3)OC2=O)cc(Br)c1OC(C)=O 3338147 VIQXONTWTITCJC-VIZOYTHASA-N 434.217 3.867 0 40 IHAB COc1ccc(C)cc1-n1nnnc1SCC(=O)N1CCC(Cc2ccccc2)CC1 3491717 HTXJGXWYXQJJEI-UHFFFAOYSA-N 437.569 3.553 0 40 IHAB COc1ccc([C@H](C)N(C)CC(=O)N(C)[C@@H](C)c2ccc(OC)c(OC)c2)cc1OC 5008180 GCRMSXABNVQDOU-IRXDYDNUSA-N 430.545 3.933 0 40 IHAB CCN(C(=O)[C@@H](C)OC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccccc1 5572412 DHZPCPKYZORXQO-QGZVFWFLSA-N 426.488 3.663 0 40 IHAB Cc1cc(C(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)c(C)n1Cc1cccs1 8899014 FCUARDKOTGIIDZ-DEOSSOPVSA-N 449.532 3.627 0 40 IHAB C[C@@H](Sc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)C(=O)N(C)Cc1ccccc1 8901454 PJAYTMNTVQIEIO-IEBWSBKVSA-N 437.565 3.715 0 40 IHAB CCCCC(=O)Nc1ccc(N2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)cc1 8903409 OZMNBWQVUFNOJG-UHFFFAOYSA-N 425.529 3.795 0 40 IHAB CCOC(=O)C1=C(C)NC(=O)N(CC(=O)Nc2ccc(F)cc2F)[C@@H]1c1ccccc1 9127586 NVSASCFNIQMLMM-HXUWFJFHSA-N 429.423 3.507 0 40 IHAB COc1ccc2c(COC(=O)COc3ccc4c5c(c(=O)oc4c3)CCC5)cc(=O)oc2c1 9284286 HUMKSSJCTHCMTL-UHFFFAOYSA-N 448.427 3.519 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1Cl 9464891 PYBGDLHFVAMVMY-UHFFFAOYSA-N 437.370 3.825 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)NCc2ccco2)cc1)[C@@H]1COc2ccc(Cl)cc2C1 9517102 BBGZSDMLXBKWKK-HNNXBMFYSA-N 446.912 3.601 0 40 IHAB Cn1c(CNC(=O)c2ccco2)nnc1SCC(=O)N(c1ccccc1)c1ccccc1 9583023 UUSQWJAWAYOLDN-UHFFFAOYSA-N 447.520 3.795 0 40 IHAB Cc1c(NC(=O)COC(=O)c2ccc(-c3ccccc3)cc2)c(=O)n(-c2ccccc2)n1C 9583696 DPGSIPXMKRGSLY-UHFFFAOYSA-N 441.487 3.947 0 40 IHAB O=C(CSC1=Nc2ccccc2C2=N[C@H](c3ccccc3)C(=O)N12)NCc1ccco1 9674260 YTHVVTWEWHRBPX-HXUWFJFHSA-N 430.489 3.660 0 40 IHAB C[C@H]1CCc2nc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(Cl)s3)sc2C1 10187157 LAVSVGMNJYIOOJ-CMPLNLGQSA-N 446.019 3.775 0 40 IHAB C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1N)C(=O)N[C@H](C)CCc1ccccc1 10216011 SOYWZDUTKSGYKD-CABCVRRESA-N 429.977 3.930 0 40 IHAB COc1ccc(OC)c(S(=O)(=O)NC[C@@H](c2cccc3ccccc23)N2CCCC2)c1 10335672 HHNHJTKNMSBRRH-QFIPXVFZSA-N 440.565 3.972 0 40 IHAB O=C(CSCc1ccc(Cl)cc1)N1CCC(NS(=O)(=O)c2cccs2)CC1 11450435 JBAXGZZYECPWJN-UHFFFAOYSA-N 445.031 3.604 0 40 IHAB Cc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)c(C)c1 11610513 KLUOCOPZNBSOPA-SFHVURJKSA-N 437.359 3.858 0 40 IHAB CCCN(CCC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3ccccc3n2C)cc1 11634198 NFRNNVQPDPBEMK-DQRAZIAOSA-N 431.583 3.792 0 40 IHAB Cc1cc(C)cc(-n2c(SCC(=O)Nc3nccs3)nc3c(c2=O)SCC3)c1 12140570 YEQCSHQEWJOGMK-UHFFFAOYSA-N 430.580 3.685 0 40 IHAB Cc1ccc(O[C@@H](C)C(=O)Nc2sc3c(c2C(=O)N2CCOCC2)CCCC3)cc1 12552737 WFQIWGFXPDUVTM-INIZCTEOSA-N 428.554 3.814 0 40 IHAB CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)CSc1nc2ccccc2s1 12638970 OOYLKGVNWQISEN-UHFFFAOYSA-N 441.534 3.696 0 40 IHAB CNC(=O)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc3c(c2)CCCC3)cc1 12738528 NCOKSPRHBNNAME-UHFFFAOYSA-N 438.549 3.909 0 40 IHAB CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCO[C@@H](c2ccccc2)C1 12762237 NLFYBTLLXYUERB-WOJBJXKFSA-N 432.973 3.792 0 40 IHAB CCC(C)(C)NC(=O)[C@H](c1ccncc1)N(C(=O)c1csnn1)c1cccc(F)c1 12870239 GVHCGJOZIUQABK-SFHVURJKSA-N 427.505 3.765 0 40 IHAB Cc1ccc(-n2nnn(CN3CCN(C(=O)c4ccc5ccccc5c4)CC3)c2=S)cc1 12914060 URYUHIZSDADEJP-UHFFFAOYSA-N 444.564 3.675 0 40 IHAB C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)OCC(=O)Nc2cccc(F)c2)cc1 13042095 RYTBLXMMGSNEBY-IRXDYDNUSA-N 442.487 3.790 0 40 IHAB Cc1ccc(-n2nnnc2SCC(=O)N2CCS[C@H]2c2ccccc2F)c(C)c1 13128400 JUMVDLKSOBPSNR-IBGZPJMESA-N 429.546 3.785 0 40 IHAB Cc1ccccc1N(CC(=O)NCc1cccs1)C(=O)CCC(=O)Nc1nccs1 13503399 UWJIHAHBSCJNNH-UHFFFAOYSA-N 442.566 3.581 0 40 IHAB Cc1oc2c(C)c3oc(=O)c(CC(=O)Nc4nnn[nH]4)c(C)c3cc2c1-c1ccccc1 13689831 CKFYXUVOEVMXSM-UHFFFAOYSA-N 429.436 3.826 0 40 IHAB C[C@@H](SCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C(=O)Nn1cnc2ccccc21 14236861 ZNNARAIGTFKUGG-GFCCVEGCSA-N 439.566 3.605 0 40 IHAB Cn1ccnc1[C@H](NC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 14403428 RUFBJGZMMQGGDK-GOSISDBHSA-N 435.286 3.502 0 40 IHAB Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)N4CC(=O)Nc5ccccc54)cc3C2=O)c1 15717339 YXNDBPMSRQZQBR-UHFFFAOYSA-N 425.444 3.703 0 40 IHAB CC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3cccc(Cl)c3)co2)s1 16047736 BSTPNZBKJBXDLZ-UHFFFAOYSA-N 437.886 3.615 0 40 IHAB COc1ccc(OC[C@H](O)Cn2c([C@H]3CC(=O)N(C(C)(C)C)C3)nc3ccccc32)cc1 16903070 JDNPASRPBICMKE-ZWKOTPCHSA-N 437.540 3.599 0 40 IHAB O=C([C@@H]1CSC(c2ccncc2)=N1)N1CCC2(CC1)Nc1ccccc1-n1cccc12 19374519 IMKWNTNFJOHPPY-IBGZPJMESA-N 429.549 3.678 0 40 IHAB COc1cccc(CC(=O)N2CCNC(=O)[C@@H](Cc3ccccc3-c3cccs3)C2)c1 19564386 DKLJQRQUPKVJPW-FQEVSTJZSA-N 434.561 3.784 0 40 IHAB C[C@@H]1CCc2c(sc(NC(=O)c3ccccc3I)c2C(N)=O)C1 19631189 NYGRXEFWXZDXHK-SECBINFHSA-N 440.306 3.829 0 40 IHAB CNC(=O)c1ccc(-c2ccc(C3CCN(C(=O)c4cccc(C)c4OC)CC3)nc2)cn1 19688097 FLTRMJLBIYWWRD-UHFFFAOYSA-N 444.535 3.840 0 40 IHAB COc1ccccc1Cc1cc(C)nc(C2CCN(C(=O)CC[C@@H]3CCC(=O)N3)CC2)c1 19691719 WODRCHFWXFAQNO-QFIPXVFZSA-N 435.568 3.754 0 40 IHAB Cn1cc2c(n1)[C@@H](C(=O)NCCc1c[nH]c3ccc(F)cc13)CN(Cc1ccc(F)cc1)C2 19701271 PXJOVTKJPUEKNJ-QFIPXVFZSA-N 449.505 3.638 0 40 IHAB O=C(CSc1nnc(CN2CCOCC2)n1-c1ccccc1)c1ccc2c(c1)CCCC2 19873239 VSLCGLSJTXSDGS-UHFFFAOYSA-N 448.592 3.953 0 40 IHAB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NCc1ccc(F)cc1 20010707 NIFXDVSJOLEBNI-UHFFFAOYSA-N 446.931 3.986 0 40 IHAB O=C(c1cn(Cc2ccccc2)nc1-c1ccccc1)N1CCN(Cc2ccncc2)CC1 22186622 GSXMAWHXWXQYAO-UHFFFAOYSA-N 437.547 3.951 0 40 IHAB CC(=O)c1c(C)cc(C)c(CNc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1C 22255519 MIEKTUJEHFASNU-UHFFFAOYSA-N 430.570 3.756 0 40 IHAB Cc1cccc(C)c1N(CC(=O)NCCCc1cccc(OC(C)C)c1)S(C)(=O)=O 22338542 UBIGWSCCUXDZHS-UHFFFAOYSA-N 432.586 3.606 0 40 IHAB COc1ccc(CCNC(=O)Cc2c(C)nc(S[C@@H](C)c3ccccc3)[nH]c2=O)cc1 23138695 FEYVEBKUJUCWLX-KRWDZBQOSA-N 437.565 3.842 0 40 IHAB CC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3cccnc3)c3nc4ccccc4n32)cc1 23411677 YFIITXKJSADHAA-JOCHJYFZSA-N 439.475 3.751 0 40 IHAB Cc1ccc(N2C[C@H](C(=O)NCc3ccc(NC(=O)c4ccco4)cc3)CC2=O)cc1F 24986758 WGDPFPMWPOTKIK-QGZVFWFLSA-N 435.455 3.649 0 40 IHAB CC(=O)N1CCN(C[C@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 25329384 GWIFFRCONHCAFV-NRFANRHFSA-N 437.367 3.624 0 40 IHAB CCOC(=O)C1CCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2C(F)(F)F)CC1 25347638 PJDCQEQREIIUPP-UHFFFAOYSA-N 429.826 3.960 0 40 IHAB O=C(Nc1cccnc1)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 26109182 LYNOVOUQKOACFO-UHFFFAOYSA-N 428.341 3.569 0 40 IHAB CNC(=O)c1ccc(CN(C(=O)c2cc(C)nc3c2nc2n3CCCCC2)C2CC2)cc1 26123525 GMMBSMSYIJZAEM-UHFFFAOYSA-N 431.540 3.631 0 40 IHAB O=C(Nc1ccccc1C(=O)NC1CC1)c1ccc(NS(=O)(=O)c2cccs2)cc1 26986307 FRGSWULVFFVTFQ-UHFFFAOYSA-N 441.534 3.693 0 40 IHAB Cc1cc(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c(C)c1 30871859 ULTDNGAGTKJLGM-UHFFFAOYSA-N 431.539 3.608 0 40 IHAB CCc1ccc([C@H](CNC(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)N(C)C)cc1 32734044 GJAROOXLKXSQPM-GGAORHGYSA-N 425.548 3.659 0 40 IHAB Cc1sc2ncn(CCC(=O)N(C)Cc3nc4ccccc4n3C(F)F)c(=O)c2c1C 32753524 QOINPVGSMSKPHD-UHFFFAOYSA-N 445.495 3.868 0 40 IHAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)OCCCCN1C(=O)c2ccccc2C1=O 32776466 UVGXWDGUFHGOID-QFIPXVFZSA-N 432.476 3.570 0 40 IHAB CC(=O)Nc1cccc(-n2cnnc2SCC(=O)N(C)Cc2ccc(Cl)s2)c1 32778429 LFCDKSOMKVAWQA-UHFFFAOYSA-N 435.962 3.691 0 40 IHAB O=C1O[C@H](c2ccccc2)Cc2cc(C(=O)N3CCN(c4ccc(O)cc4)CC3)ccc21 32820054 DTQVZUQAEFFGNZ-DEOSSOPVSA-N 428.488 3.809 0 40 IHAB O=C(NCc1cccc(C(F)(F)F)c1)c1ccccc1S(=O)(=O)N1CCCCC1 32994791 CTJSHDKXRRMLQE-UHFFFAOYSA-N 426.460 3.810 0 40 IHAB COc1ccccc1[C@@H](c1nnnn1C1CCCC1)N1CCN(c2ccccc2OC)CC1 35310977 KTGZPZISXDETDA-DEOSSOPVSA-N 448.571 3.717 0 40 IHAB Cn1c2ccccc2c2nnc(SCC(=O)Nc3ccc(NC(=O)C4CC4)cc3)nc21 35312635 DQCAMELWMNCGRW-UHFFFAOYSA-N 432.509 3.596 0 40 IHAB O=C(Cc1cc(-c2ccc3c(c2)OCCO3)on1)N1CCN(c2ccccc2Cl)CC1 35592793 NKEGJKVSXYHTDG-UHFFFAOYSA-N 439.899 3.658 0 40 IHAB CCOC(=O)N1CCN(C(=O)c2ccc(COc3ccc(OC(F)(F)F)cc3)o2)CC1 36360481 FYSXKNJQWIRLBG-UHFFFAOYSA-N 442.390 3.672 0 40 IHAB Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c(C)c1 44935111 APIAPGCFGYCOCB-QRWLVFNGSA-N 436.961 3.751 0 40 IHAB O=C(Cn1cncc(-c2nc(-c3ccccc3)cs2)c1=O)N1CCc2ccccc2C1 49409938 PRHGSAKDRSESAK-UHFFFAOYSA-N 428.517 3.619 0 40 IHAB CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(C)cc3C)cc2)s1 54360553 QWGFNFPWZDTOFY-UHFFFAOYSA-N 446.554 3.536 0 40 IHAB CCN(Cc1nc(=O)c2ccccc2[nH]1)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 57371895 GCPDFACQZYCNMR-OAQYLSRUSA-N 429.520 3.852 0 40 IHAB O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21)Nc1ccc(Cl)cc1F 57428817 GUQFHRWUQJNFOX-UHFFFAOYSA-N 429.860 3.645 0 40 IHAB O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)[C@H]1CC[C@H](C(F)(F)F)NC1=O 58027533 FWUZAUVTECNSJM-MBOZVWFJSA-N 429.442 3.873 0 40 IHAB O=C(CNC(c1ccccc1)c1ccccc1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 58172481 SKIXNGLFVXPGOE-QHCPKHFHSA-N 434.561 3.586 0 40 IHAB O=C(c1cnc2ccc(Cl)cc2c1N1CCN(C2CCCCC2)CC1)N1CCOCC1 67288046 GQLZVMSTTNLBJQ-UHFFFAOYSA-N 442.991 3.815 0 40 IHAB COc1ccc(C)cc1CC(=O)N1CCN(C)C(=O)[C@H]1Cc1ccc(-c2ccncc2)cc1 72351840 DXXXIAQFNWVLCX-XMMPIXPASA-N 443.547 3.520 0 40 IHAB CC(C)N1CCc2nc3cc(C4CCN(C(=O)CCc5ccccc5)CC4)nn3c(O)c2C1 72389799 OSFYTPPUEBCTOG-UHFFFAOYSA-N 447.583 3.540 0 40 IHAB CC(C)(C)NC(=O)CN1CCC(CNC(=O)C2(Sc3ccccc3)CCCC2)CC1 79025030 QLNSTQHQYLJLIY-UHFFFAOYSA-N 431.646 3.834 0 40 IHAB Cc1ccc(NC(=O)NC[C@@H]2CCO[C@H](C)C2)cc1NC(=O)NC[C@H]1CCO[C@H](C)C1 95457629 AKEPYGOPRGTWSJ-MKXGPGLRSA-N 432.565 3.868 0 40 IHAB CN(Cc1nc(-c2ccco2)no1)[C@H]1CCCC[C@@H]1N(C)Cc1nc(-c2ccco2)no1 95995927 UKXAOQPVDFDUKY-HOTGVXAUSA-N 438.488 3.848 0 40 IHAB C[C@H](NC(=O)[C@@H]1[C@H](C)C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]21)c1ccc(Cl)cc1 96006680 BIOLLDCAYLHMMT-ZEDHKUJTSA-N 428.838 3.503 0 40 IHAB Cc1ccc(C)c(NC(=O)c2ccc3ccc(N4CCN(c5ncccn5)CC4)n3c2)c1 96038418 KCLHNSFMPODZRA-UHFFFAOYSA-N 426.524 3.925 0 40 IHAB O=C(c1ccccc1Br)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1 96099468 OOQMAAVRTUKAAS-UHFFFAOYSA-N 426.307 3.667 0 40 IHAB COc1ccc([C@H]2[C@@H]3C(=O)N(C(C)C)C(=O)[C@H]3ON2c2ccc(Cl)cc2)c(OC)c1 100869480 XHTNFIDJTKVFET-UFYCRDLUSA-N 430.888 3.612 0 40 IHAB COc1ccc(OC)c([C@@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)c1 102736658 QODSFRKLSWYKOD-WXFUMESZSA-N 444.487 3.751 0 40 IHAB CC1(C)C[C@H]2C[C@@](C)(CN2[C@@H](C(=O)O)c2c[nH]c3cc(NC(=O)CCC(=O)O)ccc23)C1 105695818 WDMRDUHOSJOFOP-BXKTYXQLSA-N 441.528 3.998 0 40 IHAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCCN(C)S(=O)(=O)c1ccccc1 219727697 RXAPZWHOXKRTGH-FQEVSTJZSA-N 446.569 3.515 0 40 IHAB COC(=O)c1cccc(NC(=O)[C@H](C)N(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)c1 220255317 IDOJMNZTLDLRIL-NSHDSACASA-N 445.324 3.573 0 40 IHAB CCOc1ccc(N(CCCC(=O)NCCCc2cccc(C)c2)S(C)(=O)=O)cc1 222622751 HDOWKJSMBQPEPS-UHFFFAOYSA-N 432.586 3.689 0 40 IHAB COc1cc(OC)cc(OCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)(C)C)c1 222891611 LYLGFBOTOIUJGJ-INIZCTEOSA-N 446.519 3.554 0 40 IHAB CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)COc1ccc(Br)c(C)c1 222999112 PIBGMOORXGKWFZ-FQEVSTJZSA-N 447.373 3.998 0 40 IHAB CC[C@@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCC2)N(c1ccc(OC)cc1)S(C)(=O)=O 223236893 QECPWXPGMUUCCO-AOMKIAJQSA-N 430.570 3.606 0 40 IHAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2Cc2ccccn2)N1Cc1ccncc1 223510968 TWMVVIGDQXGREP-PKTZIBPZSA-N 426.549 3.894 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(C)c(N3CCCC3=O)c2)cc1Br 223647210 SJCJAHLHSCLEGC-UHFFFAOYSA-N 439.331 3.694 0 40 IHAB Cc1c(Cl)cccc1N(CC(=O)NCCOc1ccccc1C(C)C)S(C)(=O)=O 223757991 GXUMWASJUFVMRO-UHFFFAOYSA-N 438.977 3.733 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)cc1OC 223987985 LZVHYEGEPWBMAD-INIZCTEOSA-N 440.521 3.996 0 40 IHAB CCOC(=O)c1ccc(C)c(N(CC(=O)OC)S(=O)(=O)c2ccc3ccccc3c2)c1 225066104 WZOFPEUMWDWBKX-UHFFFAOYSA-N 441.505 3.693 0 40 IHAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1cc(OC)cc(OC)c1 225119122 BLJNPMWLBWIHFZ-RTBURBONSA-N 442.556 3.723 0 40 IHAB O=C(Nc1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 229602186 PHGWNIYLGMQIHQ-KIHHCIJBSA-N 435.483 3.841 0 40 IHAB CC(C)(C)OC(=O)N[C@]1(CN)[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccccc1 252515872 OFWVXHUKENCCBU-WAOWUJCRSA-N 436.961 3.502 0 40 IHAB COc1cc2cc(N)c([C@H]3CCCN(C(=O)[C@H]4CC[C@H](OC)CC4)C3)nc2cc1OC 257211232 BYAHNFPVJXFKJW-BQFCYCMXSA-N 427.545 3.745 0 40 IHAB Cc1ccc(N([C@H](C)C(=O)NCCOc2ccc3ccccc3c2)S(C)(=O)=O)cc1C 260945375 USBDYRDDAJHXJD-LJQANCHMSA-N 440.565 3.806 0 40 IHAB COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(O[C@@H](C)C(=O)NCC(C)C)cc1 408601734 GVYCFNZKYDDUHP-AWEZNQCLSA-N 440.949 3.689 0 40 IHAB CCC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1C 408616545 AFVFWEJYBHLSOT-SFHVURJKSA-N 430.570 3.820 0 40 IHAB Cc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccc(Cl)cc3)[C@H]2c2ccc(C)cc2)cc1 409055820 FFUKPRHISPWVGE-WSBKAMHLSA-O 432.931 3.973 0 40 IHAB Cc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccccc3C)[C@H]2c2ccc(Cl)cc2)cc1 409066975 IMQXXNUNXUZECV-WAUWHALJSA-O 432.931 3.973 0 40 IHAB O=C(CN1C(=O)S/C(=C\c2cc(Cl)c(O)c(Cl)c2)C1=O)NCc1ccco1 409199461 CXCYTLNSQJSCCS-MLPAPPSSSA-N 427.265 3.645 0 40 IHAB Cc1[nH]c(C(=O)N[C@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)c(C)c1C(=O)OC(C)C 513505800 KZWFQODPVQJHMG-APWZRJJASA-N 443.519 3.818 0 40 IHAB O=C(c1c(-n2cnnn2)sc2c1CCC2)N1CCC(c2noc3cc(F)ccc23)CC1 524734438 FGNSCGFUXSGRSV-UHFFFAOYSA-N 438.488 3.513 0 40 IHAB Cc1cc(C)nc(Nc2cc(C[C@H]3CCCN(C(=O)/C=C/c4cccnc4)C3)ncn2)n1 585292899 PNTKBPDZYMVBJA-AQKVLALTSA-N 429.528 3.517 0 40 IHAB COc1ccc([C@H](CC(=O)NCC2(N(C)C)CCCCC2)c2oc(C)cc(=O)c2O)cc1 1547138193 ADTQUIRHLDIROR-FQEVSTJZSA-N 442.556 3.565 0 40 IHAB biogenic COc1cccc2cc(-c3nnc(SCC(=O)Nc4ccc(Cl)cc4)n3N)oc12 687531 CMNNSWWBZFFIQJ-UHFFFAOYSA-N 429.889 3.798 0 40 IHAB CC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc(C)cc2oc(=O)c(C)c(C)c12 2147972 NVWCLVOUKONUCQ-SFHVURJKSA-N 443.521 3.689 0 40 IHAB biogenic Cc1ccc(NC(=O)C[C@@H]2Nc3ccccc3N(CC(=O)Nc3cccc(F)c3)C2=O)cc1 2686949 LQZJSPBSJWAJOI-NRFANRHFSA-N 446.482 3.929 0 40 IHAB O=S(=O)(c1ccc(F)cc1)N1CCN=C1SCc1ccc(Br)cc1 2711490 DDCRSYDQWYIFOM-UHFFFAOYSA-N 429.336 3.882 0 40 IHAB CCCCCOc1ccc(-c2nc3s/c(=C\c4cccc(OC(C)=O)c4)c(=O)n3n2)cc1 3649035 HBEFIFIAJBWMHF-QNGOZBTKSA-N 449.532 3.860 0 40 IHAB O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(CCCc2ccccc2)C1)c1ccncc1 4236240 HBEBBYRECYICRN-RBBKRZOGSA-N 428.536 3.548 0 40 IHAB biogenic,in-vitro CCCCn1c(=O)c(CCC(=O)O[C@@H](C)C(=O)NC2CCCCC2)nc2ccccc21 5335179 VISFBPGDXDLXGJ-KRWDZBQOSA-N 427.545 3.510 0 40 IHAB COc1ccc([C@H](CC(=O)C(C)(C)CN2CCCCC2)SCCS(=O)(=O)O)cc1 5854708 KLOBKYUHYUPQQP-IBGZPJMESA-N 443.631 3.829 0 40 IHAB COc1ccc(C(=O)Nc2ccc(F)cc2)cc1S(=O)(=O)N(C)Cc1ccccc1 8735855 OZFBPBNLHXURGW-UHFFFAOYSA-N 428.485 3.907 0 40 IHAB CC(C)(C)c1cc(NC(=O)CSc2nnnn2-c2ccc(O)cc2)n(-c2ccccc2)n1 8861311 MLPOPBODRFYIRV-UHFFFAOYSA-N 449.540 3.582 0 40 IHAB N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(N2CCC(Cc3ccccc3)CC2)cc1 9236391 GUNDCJVNWMXBOG-YADHBBJMSA-N 441.622 3.799 0 40 IHAB CC(C)CN(CC(C)C)C(=O)c1cccc(NS(=O)(=O)c2ccc(C(=O)O)cc2)c1 9292084 VDUZFPUOYWUTHJ-UHFFFAOYSA-N 432.542 3.940 0 40 IHAB CCN1C/C(=C\c2ccc(OCC(=O)O)c(OC)c2)c2nc3ccccc3c(C(=O)O)c2C1 9317488 VKTSVWOGJRPLQK-MHWRWJLKSA-N 448.475 3.781 0 40 IHAB COc1cc(C)ccc1OCc1nnc(S[C@H](C)C(=O)Nc2nc(C)cs2)n1C 9329041 ZTHSHFICDAXWTQ-CYBMUJFWSA-N 433.559 3.595 0 40 IHAB O=C(COC(=O)c1ccc(O)cc1O)Nc1cc(-c2ccccc2)nn1-c1ccccc1 9465225 NJPRQRNFNJJWMC-UHFFFAOYSA-N 429.432 3.746 0 40 IHAB COc1ccc(C(=O)N2CCc3sccc3[C@H]2C)cc1S(=O)(=O)NC1CCCC1 9501478 DYKQUGGFWKXZNS-CQSZACIVSA-N 434.583 3.737 0 40 IHAB CC(C)CCn1nc(C(=O)O[C@H](C)C(=O)N2CCCc3ccccc32)c2ccccc2c1=O 9509896 DMYCLGRVTKDGKV-GOSISDBHSA-N 447.535 3.967 0 40 IHAB COc1ccc(CCNC(=O)CSc2ncnc3sc4c(c23)CCC4)cc1OC 9637441 QESDNRNMIOZHMF-UHFFFAOYSA-N 429.567 3.648 0 40 IHAB COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)Nc1cc(OC)ccc1OC 9646451 CSHGQNKVIUTVNU-UHFFFAOYSA-N 425.459 3.645 0 40 IHAB NC(=O)NC(=O)[C@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)c1ccccc1 9663315 JMVDYYRMLODZTL-GOSISDBHSA-N 433.493 3.615 0 40 IHAB CCCc1cc(=O)[nH]c(SCC(=O)c2cc(C)n(Cc3ccc4c(c3)OCO4)c2C)n1 9704283 VFVQHCOKISLAEX-UHFFFAOYSA-N 439.537 3.893 0 40 IHAB CC(=O)c1ccc(NC(=O)COc2coc(CN3c4ccccc4C[C@H]3C)cc2=O)cc1 9716515 GDGXHHMPPZGXAB-MRXNPFEDSA-N 432.476 3.811 0 40 IHAB CCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 10357860 YHTDMZRETPCWGL-UHFFFAOYSA-N 445.585 3.529 0 40 IHAB Cc1ccccc1[C@@H](C)NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 11224549 MPVBSQJIGDIDRI-CQSZACIVSA-N 432.450 3.545 0 40 IHAB Cc1ccc([C@@]2(CC(=O)N3CCC(O)(Cn4ccnc4C)CC3)CCOC(C)(C)C2)cc1 12143513 KBKSSNFKLXHSBN-RUZDIDTESA-N 439.600 3.771 0 40 IHAB Cc1nc(-c2ccc(CCNC(=O)c3cc(S(=O)(=O)N(C)C)ccc3C)s2)cs1 12396517 KNWMQPMXXPLIRY-UHFFFAOYSA-N 449.623 3.711 0 40 IHAB Cc1cccc(-c2nc(S(=O)(=O)c3ccccc3)c(NCCCN3CCOCC3)o2)c1 12419051 AQSLQKACWMTWDA-UHFFFAOYSA-N 441.553 3.617 0 40 IHAB C[C@H](NC(=O)Cc1cc2c(cc1Br)OCCO2)c1ccc(-n2ccnc2)cc1 12560382 DVRGHYOMEBZILO-AWEZNQCLSA-N 442.313 3.826 0 40 IHAB CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2N2CCCCCC2)cc1 12809009 LITGGRLQAQHSLD-UHFFFAOYSA-N 443.569 3.529 0 40 IHAB O=C1c2ccccc2C(=O)N1CCCC(=O)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 12818102 JTCVNYKPLPFRGT-INIZCTEOSA-N 449.532 3.885 0 40 IHAB CC[C@@H](C)c1ccc([C@@H](NC(=O)C2CCN(c3ccc4nnnn4n3)CC2)C(C)C)cc1 12849966 SNUDUYDCVXPRNM-HXOBKFHXSA-N 435.576 3.763 0 40 IHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)nc1 12997872 MAELSZJMRWNZOQ-UHFFFAOYSA-N 436.581 3.619 0 40 IHAB CC(=O)N(c1ccccc1)c1nc(COC(=O)[C@H](C)NC(=O)c2cccc(C)c2)cs1 13069321 WCYLUFBEMRKKKX-INIZCTEOSA-N 437.521 3.998 0 40 IHAB COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cc(Cl)ccc2C)cc(OC)c1OC 13387925 HOMGUJRIGCNLTR-LJQANCHMSA-N 445.903 3.941 0 40 IHAB CS(=O)(=O)N(CC(=O)NCCSCc1ccccc1Cl)c1ccccc1Cl 13388821 VEHOANHMOIYTOF-UHFFFAOYSA-N 447.409 3.809 0 40 IHAB COc1ccc(-c2noc([C@H](C)NS(=O)(=O)c3ccc(Br)cc3)n2)cc1 13495066 TWZKHVKUJCFQSQ-NSHDSACASA-N 438.303 3.547 0 40 IHAB Fc1ccccc1N1CCN([C@H](c2ccccc2)c2nnnn2Cc2ccccc2)CC1 13504581 FJIDLPUZPWPXEF-XMMPIXPASA-N 428.515 3.772 0 40 IHAB COc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(F)cc4)[C@@H]3C2=O)c(OC)c1 13776196 UBZIBLXCIWQIKU-VABKMULXSA-N 448.450 3.894 0 40 IHAB COc1ccc(OC)c(NC(=O)CSc2nnc(COc3ccccc3Cl)n2C)c1 13841782 XKROURKKBBHTBG-UHFFFAOYSA-N 448.932 3.796 0 40 IHAB O=C(CSCc1c(F)cccc1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1 14153257 JZUFYCIUDLVGQP-UHFFFAOYSA-N 436.936 3.785 0 40 IHAB COc1ccc(C)cc1N1C[C@@H](C(=O)NCc2ccc(CN3CCCCC3)cc2)CC1=O 14254518 IIJDYTMBDUINCZ-QFIPXVFZSA-N 435.568 3.659 0 40 IHAB COc1ccc(NC(=O)[C@@H]2CCCO2)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 15900379 GMMRLUNUJYKVLF-KRWDZBQOSA-N 445.324 3.920 0 40 IHAB O=C(NC1CCCCC1)[C@H](c1ccncc1)N(C(=O)c1csnn1)c1ccc(F)cc1 15936022 CRJCCKBBVQSYJE-FQEVSTJZSA-N 439.516 3.909 0 40 IHAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 16083909 LQUJOPNYIQMLLX-UHFFFAOYSA-N 436.839 3.627 0 40 IHAB Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 16347222 AYWJWIDKXGMBEB-UHFFFAOYSA-N 429.767 3.922 0 40 IHAB CCCCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCO)cc1OC 16753624 YTDZFCHLRKUCTB-QFIPXVFZSA-N 437.492 3.826 0 40 IHAB CCn1c(SCC(=O)Nc2ccc(NC(C)=O)cc2)nc2c([nH]c3ccccc32)c1=O 16837374 AWHGMGFNWCMQNS-UHFFFAOYSA-N 435.509 3.587 0 40 IHAB CCCN1CCN(C(=O)c2nccn2C)C[C@H](Cc2cccc(-c3ccccc3)c2)C1=O 19503025 UHYBDMAWMFBBLF-QHCPKHFHSA-N 430.552 3.640 0 40 IHAB CCCN1CCN(C(=O)c2cc[nH]n2)C[C@H](Cc2ccccc2-c2ccc(C)cc2)C1=O 19503145 JSTUAHCWKVRRHI-QFIPXVFZSA-N 430.552 3.938 0 40 IHAB COc1ccccc1C(=O)N1CC[C@@](Cc2ccc(-c3ccccc3OC)cc2)(C(N)=O)C1 19571632 WWWFGNBHBPEMDD-MHZLTWQESA-N 444.531 3.931 0 40 IHAB CCc1nccn1CC(=O)N1CCCC[C@H]1c1nc(N(C)C)ncc1-c1ccc(F)cc1 19694646 BVVHFJLOMRNBKY-FQEVSTJZSA-N 436.535 3.861 0 40 IHAB CN(C)c1ncc(-c2cncnc2)c([C@H]2CCN(C(=O)CCc3ccc(Cl)cc3)C2)n1 19694997 BBKAPBRXBGSMAH-KRWDZBQOSA-N 436.947 3.602 0 40 IHAB Cc1nc(CN(C)C(=O)CCc2ccccc2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 19698572 JQHDVFSYZQELBR-UHFFFAOYSA-N 446.526 3.995 0 40 IHAB O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1)N[C@@H]1CCCc2ccccc21 19935537 CBSULIQEEXPOHA-LJQANCHMSA-N 448.972 3.697 0 40 IHAB Cc1cc(C(=O)NCc2ccc(-n3ccnc3)cc2)ccc1NS(=O)(=O)c1ccccc1 20492971 HFHDSAJXISXQOY-UHFFFAOYSA-N 446.532 3.912 0 40 IHAB COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccccc2Br)cc1 21089821 NDRJFLKSLKJMGB-SFHVURJKSA-N 440.301 3.977 0 40 IHAB Cc1ccc([C@H](C)NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc1C 22331757 ZTGODBRCCPXUSW-HNNXBMFYSA-N 439.375 3.709 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3ccc(F)cc3)CC2)cc1 22540143 RIYVZGVIKYPEQT-MRXNPFEDSA-N 434.533 3.503 0 40 IHAB C[C@@H](C(=O)NC(=O)NC1CCCCC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 22802534 MXOVZBHKCPBCHH-NRFANRHFSA-N 448.611 3.941 0 40 IHAB COc1ccccc1[C@@H](c1nnnn1CCc1ccccc1)N1CCN(C2CCCC2)CC1 22929930 NNSGPIQMVXEMJN-VWLOTQADSA-N 446.599 3.574 0 40 IHAB CCc1ccc(/C=C/C(=O)N2CCN(Cc3nc(-c4ccc(OC)cc4)no3)CC2)cc1 23172502 WJXWCUYMAJMCRY-MDWZMJQESA-N 432.524 3.665 0 40 IHAB CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)c1cc(S(N)(=O)=O)ccc1F 23593566 OHNVSINYOFTSMJ-UHFFFAOYSA-N 436.505 3.515 0 40 IHAB O=C(c1ccc(S(=O)(=O)NC2CC2)cc1)N1CCc2sccc2[C@@H]1c1ccccc1 29280149 WDMOYPNWHPIOBW-QFIPXVFZSA-N 438.574 3.977 0 40 IHAB COc1ccc(OC)c(N2C(SCc3ccc(C)c(C)c3)=N[C@@H]3CS(=O)(=O)C[C@@H]32)c1 32641084 LZEJGOPQVWPHPR-QUCCMNQESA-N 446.594 3.596 0 40 IHAB Cc1nc2ccccc2nc1COC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 32727386 YVSCMWXWCGBHAQ-UHFFFAOYSA-N 425.435 3.812 0 40 IHAB Cc1cc2n(CC(=O)Nc3ccc(Br)c(C)c3)c(=O)c3ccccc3n2n1 32836367 NTNJUDJZGVJBOI-UHFFFAOYSA-N 425.286 3.667 0 40 IHAB Cc1oc(-c2ccccc2)nc1CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 32876375 KHPWQIINOCTVTP-UHFFFAOYSA-N 437.565 3.645 0 40 IHAB C[C@H](OC(=O)c1ccccc1NS(=O)(=O)c1cccs1)C(=O)NC1CCCCC1 33045850 ZEBLQFGNDPJAIP-AWEZNQCLSA-N 436.555 3.543 0 40 IHAB Clc1ccc(OCc2nnc(SCCN3CCOCC3)n2Cc2ccco2)cc1 35291600 GKLXTAGTILVIBR-UHFFFAOYSA-N 434.949 3.576 0 40 IHAB Cc1ccc(C)c(C(=O)[C@@H](C)OC(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)c1 35296299 LPVFWGDNQAMBAP-NZEOALSQSA-N 428.529 3.555 0 40 IHAB O=C(Cn1c2ccc(F)cc2c2ncn(Cc3ccccc3)c(=O)c21)NC1CCCCC1 35399768 NCDIQHIKHDFIJZ-UHFFFAOYSA-N 432.499 3.988 0 40 IHAB Cc1cc(Cl)ccc1NC(=O)[C@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1 38849544 LGLGMIBRJZFNIT-QGZVFWFLSA-N 429.325 3.858 0 40 IHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)C1CCN(Cc2ccccc2Cl)CC1 39765958 DJUAACYZNDXRHE-UHFFFAOYSA-N 446.931 3.995 0 40 IHAB CC(=O)Nc1cccc(-n2cnnc2SCC(=O)N[C@H](c2cccs2)C(C)C)c1 40066754 MMBUEXOIYDPPAC-IBGZPJMESA-N 429.571 3.893 0 40 IHAB O=C(CNc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F)NC(=O)NC1CCCC1 40155654 NIZGNEJGROLIMI-UHFFFAOYSA-N 438.406 3.731 0 40 IHAB Cc1ccc(C(=O)Nc2cccc(C(=O)OCc3cc(=O)n4oc(C)cc4n3)c2C)cc1 41089616 ORFXNYIUUUHHOK-UHFFFAOYSA-N 431.448 3.822 0 40 IHAB COc1ccc(Cl)cc1NC(=O)Cn1c(C)nc2c(-c3ccncc3)nsc2c1=O 49401726 BZOXYWSYIAAVDZ-UHFFFAOYSA-N 441.900 3.524 0 40 IHAB COc1cc([C@@H]2CC(=O)N(c3ccccc3)c3c2sc(=O)n3C)cc(OC)c1OC 49546419 GAGDOJAIZIQFAF-HNNXBMFYSA-N 426.494 3.673 0 40 IHAB CCCCn1c(=O)c2sccc2n(CC(=O)Nc2cccc(C(F)(F)F)c2)c1=O 57427101 HJIIDVBVJLAUMT-UHFFFAOYSA-N 425.432 3.682 0 40 IHAB C[C@H](Oc1ccc(F)cc1Br)C(=O)Nc1cccc(N2C(=O)NC[C@H]2C)c1 58357197 CJPRDKCNJWHISJ-NEPJUHHUSA-N 436.281 3.912 0 40 IHAB COc1ccc(CCC(=O)N[C@@H](c2ccccc2)c2n[nH]c(C)n2)cc1Br 69484143 YTPKNJJEBPLIBQ-IBGZPJMESA-N 429.318 3.723 0 40 IHAB Cc1cccc(-c2cc3ncc4c(n3n2)C[C@H]2CC[C@@H]4N2Cc2cnc(N(C)C)nc2)c1 72336972 IFLBIWAAYJBUQL-KNQAVFIVSA-N 425.540 3.823 0 40 IHAB Cc1ccccc1-c1cc(CC2(C(=O)N[C@H](C)C(=O)N3CCCCC3)CCOCC2)on1 72394539 VYYNKERBUQMCCZ-LJQANCHMSA-N 439.556 3.507 0 40 IHAB CN(C)Cc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)cc1F 79016090 QOAYWDDOYSEVCY-INIZCTEOSA-N 437.437 3.893 0 40 IHAB COc1ccc2cc(CN3CCC(c4cc(N)n5nc(C)cc5n4)CC3)c(OC)nc2c1 105716160 LWAZPXJPQONSLU-UHFFFAOYSA-N 432.528 3.565 0 40 IHAB Cc1ccc(N(CCCC(=O)NCCCN2CCCc3ccccc32)S(C)(=O)=O)cc1 219631167 LDJKKSSIBDDYLX-UHFFFAOYSA-N 443.613 3.500 0 40 IHAB CN(c1ccc(C(=O)NCCOc2ccc(C(C)(C)C)cc2)c(Cl)c1)S(C)(=O)=O 223656377 CQQWIYBYYNTWEL-UHFFFAOYSA-N 438.977 3.842 0 40 IHAB CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)NCCc2ccc(F)cc2)cc1 223747695 IIRJBRQYHCIXOD-UHFFFAOYSA-N 426.513 3.764 0 40 IHAB CCC1(CC)C[C@H](NC(=O)CN(Cc2ccc(C)cc2)S(C)(=O)=O)c2ccccc2O1 223799502 LITQKYXZDDBPAZ-NRFANRHFSA-N 444.597 3.955 0 40 IHAB Cc1ccccc1N(CCCC(=O)Nc1nnc(-c2ccccc2)s1)S(C)(=O)=O 223881008 KGXFHXUZJBKYQA-UHFFFAOYSA-N 430.555 3.698 0 40 IHAB CC[C@@H](C(=O)NCCOc1cccc(C)c1C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 223939073 STOJAQBCOSUYQM-NRFANRHFSA-N 432.586 3.660 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)Cc3ccccc3OC)cc2)cc1 223986193 JMVJEORVZNDXEI-UHFFFAOYSA-N 440.521 3.777 0 40 IHAB O=C(c1cc(-c2ccc3c(c2)OCO3)n[nH]1)N1CC[C@@H](Oc2cc(C(F)(F)F)ccn2)C1 225732842 LNUAJSWEFHJKCM-CQSZACIVSA-N 446.385 3.513 0 40 IHAB COc1cccc(C(=O)N(CN2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c2ccccc2C)c1 226408251 YHRFHSKJRRFPRY-BLLLPLFDSA-N 442.515 3.661 0 40 IHAB CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]2[C@H]2c3ccccc3C=NN12 248262442 MVBFBZGUDXDXJB-WTGUMLROSA-N 435.911 3.834 0 40 IHAB COc1ccc(CCNC(=O)[C@H]2CN(C)C[C@@H]2c2cccc(CN3CCCCC3)c2)cc1 257272553 NCVVLVPLSQZEEH-FTJBHMTQSA-N 435.612 3.685 0 40 IHAB Cc1ccc(N2C[C@]3(CCCN(Cc4ccnc(N5CCCCC5)n4)CC3)OCC2=O)cc1 257328245 XEUXHLCCHXQMHV-AREMUKBSSA-N 449.599 3.563 0 40 IHAB O=C1CO[C@]2(CCN(C(=O)C3(c4ccc(Cl)cc4)CCC3)C2)CN1c1ccc(F)cc1 257329220 XIZIBGZKTORKQR-QHCPKHFHSA-N 442.918 3.935 0 40 IHAB COc1ccc(F)cc1S(=O)(=O)N(CCn1ccc(C(F)(F)F)n1)C1CCCC1 390829071 CPLBKONWFWPAGE-UHFFFAOYSA-N 435.443 3.683 0 40 IHAB CN(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl 408533072 POHUIKFWMGOJKE-UHFFFAOYSA-N 436.961 3.552 0 40 IHAB COc1ccc(C(=O)CN(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)CCCC2=O)cc1 408642159 DPYGNZKYNBBWBK-UHFFFAOYSA-N 449.290 3.781 0 40 IHAB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1)Nc1cccc(Cl)c1 408653274 DXBJRDOTVSVSHD-OALUTQOASA-N 438.867 3.591 0 40 IHAB COc1cc(NC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)c(OC)cc1Cl 408706122 VOKZMNHNMUWELG-UHFFFAOYSA-N 444.912 3.681 0 40 IHAB CCn1c(SCC(=O)Nc2ncccc2C)nnc1[C@@H](C)NC(=O)c1ccc(C)cc1 409132429 OLSUSWSOAXWGKU-MRXNPFEDSA-N 438.557 3.532 0 40 IHAB O=C(CN1C(=O)S/C(=C/C=C\c2ccccc2)C1=O)Nc1ccccc1N1CCOCC1 409212435 QATYHNWEEQDENO-PXAIGCRMSA-N 449.532 3.754 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc(-c3ccc(Br)o3)no2)cc1 507999189 NHPMUWXLMYYHHN-ZDUSSCGKSA-N 438.303 3.926 0 40 IHAB O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)N[C@H](CO)c1ccc(C(F)(F)F)cc1 552400428 NEIQEULRLXVOPY-QGZVFWFLSA-N 449.878 3.763 0 40 IHAB Cc1c(C(=O)N2CCCC[C@@H]2CCNC(=O)c2ccccc2)cccc1N1CCOCC1 585261918 UFTZLPVBSUIDRJ-JOCHJYFZSA-N 435.568 3.646 0 40 IHAB O=C(C[C@H]1OCCc2ccccc21)N1CCC(N(C(=O)C(F)(F)F)c2cccnc2)CC1 1149290206 HUHIBLOFSDOWLG-HXUWFJFHSA-N 447.457 3.672 0 40 IHAB O=C(c1ccccc1)N1CC[C@@H](C(=O)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)C1 1521024656 UHRRCJPQMNECPP-QUCCMNQESA-N 432.442 3.768 0 40 IHAB Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N[C@H]1CC[C@H](c2cccc(Cl)c2)C1 1622249257 COSGRYGHNWFZAH-RDJZCZTQSA-N 427.975 3.667 0 40 IHAB Cc1cc(OCC(=O)N2CCC(c3nnc4ccc(C5CC5)nn34)CC2)ccc1Cl 1888914713 CRYJGRHLUXDHHV-UHFFFAOYSA-N 425.920 3.749 0 40 IHAB COc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=S)NCc3ccco3)cc2c1 879925 DKBLUAVMFUATDU-UHFFFAOYSA-N 434.521 3.602 0 40 IHAB O=C(Nc1cccc(C(=O)O)c1)/C(=C/c1ccco1)NC(=O)c1ccc(Br)o1 915811 GXJAYURGBVBEPA-UVTDQMKNSA-N 445.225 3.743 0 40 IHAB CCOc1ccc(NC(=S)N(CCO)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1 931875 OYQHIVPXINZOHP-UHFFFAOYSA-N 425.554 3.735 0 40 IHAB O=c1nc2s/c(=C\c3ccc(-c4ccc(Cl)cc4)o3)c(=O)n2nc1Cc1ccccc1 1464477 DPNNZLINGWYFBK-MOSHPQCFSA-N 447.903 3.563 0 40 IHAB Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(=O)N[C@@H](CC(C)C)C(=O)O)ccc12 2091528 WNSZRLFJPMFMRV-NRFANRHFSA-N 437.492 3.687 0 40 IHAB biogenic COc1ccc(CN2CN(S(=O)(=O)c3ccccc3)c3nc4ccccc4nc32)cc1 2403841 ZFYDTJMJCLPAHE-UHFFFAOYSA-N 432.505 3.811 0 40 IHAB COc1ccc(Cn2c(N)c(C(=O)OC[C@H]3CCCO3)c3nc4ccccc4nc32)cc1 2412220 GJWIEJUWLJGFFG-QGZVFWFLSA-N 432.480 3.559 0 40 IHAB Cc1sc2nc(SCC(=O)NC[C@@H]3CCCO3)n(Cc3ccccc3)c(=O)c2c1C 2643498 BBSADUJIPCAJOW-KRWDZBQOSA-N 443.594 3.510 0 40 IHAB COc1ccccc1-n1c(SCC(=O)Nc2ccc(F)cc2)nc2c(c1=O)SCC2 2719814 IIINLHMPSKJVHW-UHFFFAOYSA-N 443.525 3.759 0 40 IHAB O=C(CN1c2cccc3cccc(c23)S1(=O)=O)Nc1c(F)c(F)c(F)c(F)c1F 3233089 YRVSOHLGFQHXDC-UHFFFAOYSA-N 428.338 3.683 0 40 IHAB O=C(Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)Nc1ccc2c(c1)OCO2 3459154 WXWNTBAZKUPMLM-UHFFFAOYSA-N 428.441 3.536 0 40 IHAB Cc1ccc(C2=NN3[C@H](C2)c2cc(C)ccc2OC32CCN(S(C)(=O)=O)CC2)cc1 5500729 VFYZGVZRHPPMOJ-OAQYLSRUSA-N 425.554 3.599 0 40 IHAB O=C(COc1ccc(Cl)cc1)OCc1cc(=O)n2nc(C3CCCCC3)sc2n1 8605573 GCMCXUDLXJUIQU-UHFFFAOYSA-N 433.917 3.974 0 40 IHAB CC(C)S(=O)(=O)c1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(F)cc1 8612240 YFHSBJXEKSOQDZ-UHFFFAOYSA-N 427.450 3.635 0 40 IHAB CN1C(=O)N(C)C(=O)C2(Cc3ccc(Cl)cc3N3CC[C@@H](c4ccccc4)C[C@H]32)C1=O 8773663 TYEXNKPJGRQRIV-UZLBHIALSA-N 437.927 3.686 0 40 IHAB CC(C)OC(=O)c1ccc(NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 8950161 YNSIFFWZXUDWSP-CQSZACIVSA-N 439.537 3.787 0 40 IHAB O=C(Nc1cccc(I)c1)[C@H]1CCCN1C(=O)c1cccs1 9156328 UIXOZNGSFDSXPN-CYBMUJFWSA-N 426.279 3.596 0 40 IHAB CCn1c(SCC(=O)NCc2ccccc2Cl)nnc1-c1ccc2c(c1)OCCO2 9193257 HYCCDTZVVCPKAH-UHFFFAOYSA-N 444.944 3.798 0 40 IHAB COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CN1CCC(Cc2ccccc2)CC1 9280877 GWEBNDMHMYRKAT-UHFFFAOYSA-N 435.524 3.856 0 40 IHAB CCOc1ccc(N2C[C@@H](C(=O)Nc3nnc(CCc4ccccc4)s3)CC2=O)cc1 9288769 XWWFOTPYDVHWFP-KRWDZBQOSA-N 436.537 3.714 0 40 IHAB Cc1cccc(C)c1OCc1nnc(S[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)n1C 9303682 DZGMCXNOFLWAHY-HNNXBMFYSA-N 440.525 3.859 0 40 IHAB O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)Nc1ccccc1N1CCCC1=O 9515681 JIHFQDUGNKXPJR-UHFFFAOYSA-N 429.476 3.974 0 40 IHAB CC(=O)c1ccc(NC(=O)CSc2nnc(NC(=O)Cc3ccc(F)cc3)s2)cc1 9600188 SUVURWTWZCGFHW-UHFFFAOYSA-N 444.513 3.792 0 40 IHAB Cc1c(C)c(C)c(S(=O)(=O)NCc2nnc3ccc(C(F)(F)F)cn23)c(C)c1C 9641754 QVXNSPIBFGBGJW-UHFFFAOYSA-N 426.464 3.769 0 40 IHAB CCCCOC(=O)c1ccc(NS(=O)(=O)c2cc3c4c(c2)[C@@H](C)C(=O)N4CCC3)cc1 9708646 PNUCXFSENRRZCA-OAHLLOKOSA-N 442.537 3.841 0 40 IHAB O=C(CSc1ncnc2c1cnn2-c1ccccc1)Nc1ccc(N2CCCC2=O)cc1 9749019 WGWWEVVDZGTUBQ-UHFFFAOYSA-N 444.520 3.673 0 40 IHAB O=C(CSc1nnnn1-c1ccccc1)N1CCC[C@H](c2nc3ccccc3s2)C1 9788821 ZUXBXYBXGZZDDJ-HNNXBMFYSA-N 436.566 3.770 0 40 IHAB COc1ccc(C(=O)N[C@H](C)c2cc3ccccc3o2)cc1S(=O)(=O)N1CCCC1 9882313 NWPRQOXVDMMEDP-OAHLLOKOSA-N 428.510 3.717 0 40 IHAB Nn1c(COc2ccccc2F)nnc1SCCOc1ccc(Br)cc1 9980470 XKUXXIIXDRDOGK-UHFFFAOYSA-N 439.310 3.644 0 40 IHAB COc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2cccnc2)n2nnnc2N3)cc1OC 10336977 XQLRUPDGLZVURF-PKTZIBPZSA-N 440.463 3.645 0 40 IHAB Cc1c(C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)sc2cccc(F)c12 11451453 MQLRFCFFQJBAGD-UHFFFAOYSA-N 438.571 3.993 0 40 IHAB Cc1nc(-n2nc(-c3ccco3)cc2NC(=O)c2c(F)cccc2Cl)[nH]c(=O)c1C 12008211 HPQZEFPOKLUEEV-UHFFFAOYSA-N 427.823 3.877 0 40 IHAB CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCCN3S(=O)(=O)c3cccnc3)cc2n1 12230349 RBZASFMHUMHSOR-INIZCTEOSA-N 439.463 3.792 0 40 IHAB CS(=O)(=O)N1CCC[C@@H](c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)C1 12257432 QCNTZRVAQFATLQ-LLVKDONJSA-N 430.477 3.616 0 40 IHAB COc1ccc(Nc2nc(N)nc(CSc3nnc4sc5ccccc5n34)n2)cc1 12321794 MFUKRQMKNCJQGX-UHFFFAOYSA-N 436.526 3.756 0 40 IHAB CC(C)Cc1csc2c1c(=O)n(C)c(=O)n2CC(=O)c1ccc(Br)cc1 12391037 BHXHWTPWSZZHEQ-UHFFFAOYSA-N 435.343 3.606 0 40 IHAB CNS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)cc1 12521016 SKAAUAAJMZHQMZ-UHFFFAOYSA-N 434.564 3.547 0 40 IHAB COc1ccc(CN(C)C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)c(OC)c1 12521149 WSNFLROMLSBBDC-UHFFFAOYSA-N 440.521 3.777 0 40 IHAB CCN(C(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)[C@H]1CCS(=O)(=O)C1 12601392 GRHPMNHHAQXBLC-VYENPZKTSA-N 441.578 3.650 0 40 IHAB COc1ccc(NS(=O)(=O)c2cc(NC(=O)Cc3cccc(F)c3)ccc2OC)cc1 12763197 GQYMEPKUPPFQIE-UHFFFAOYSA-N 444.484 3.825 0 40 IHAB COCc1c(C(=O)N2CCc3c(sc4ncnc(N)c34)C2)sc2cccc(F)c12 12787788 NKASQEKUEZJQKU-UHFFFAOYSA-N 428.514 3.972 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1NC(C)=O 12994236 QXUQXICHLBBZSG-HNNXBMFYSA-N 445.566 3.832 0 40 IHAB Cc1cc(C(=O)COC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)n1C(C)C 13037888 OWUTVHHCHLNVEM-UHFFFAOYSA-N 446.569 3.513 0 40 IHAB CCSc1nnc(NC(=O)/C(=C/c2ccco2)n2nnnc2-c2ccccc2)s1 14237832 AAWIGVZHQOPUBI-KAMYIIQDSA-N 425.499 3.533 0 40 IHAB Cc1cc(Cl)ccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 14493068 JBQLSUUBQRBHEZ-UHFFFAOYSA-N 429.325 3.575 0 40 IHAB COc1ccc(CN2C[C@H](O)C[C@H]2c2nc(-c3ccc(OC(F)(F)F)cc3)no2)cc1 15674232 PFKONWOILOWFFS-QAPCUYQASA-N 435.402 3.952 0 40 IHAB biogenic,in-vitro COc1ccc(-c2ccc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)cc2)nn1 15785239 UZDGCCNQEGATRY-UHFFFAOYSA-N 425.388 3.852 0 40 IHAB CCCN1C(=O)/C(=c2\sc3nc(-c4ccc(C(C)(C)C)cc4)nn3c2=O)c2ccccc21 16732861 SYVIZFQOBTZSFP-VXPUYCOJSA-N 444.560 3.790 0 40 IHAB COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=S)N2Cc2ccccn2)cc1 18195094 SAKYCYSRVVMHOG-OAQYLSRUSA-N 446.532 3.621 0 40 IHAB CCCCn1c(SCC(=O)Nc2cccc3nsnc23)nc2ccccc2c1=O 19077443 RYHOJIGIZUDOTG-UHFFFAOYSA-N 425.539 3.932 0 40 IHAB Cc1cc2c(cc1Cl)[C@H](O)CC1(CCN(C[C@H](O)c3ccc4c(c3)CCO4)CC1)O2 19125690 HZEGJYYETSDJEB-RTWAWAEBSA-N 429.944 3.967 0 40 IHAB Cc1nc([C@H]2CCCN2C(=O)CCc2ccc(N(C)C)cc2)ncc1C(=O)N1CCCCC1 19756094 DICDYSFSLBGLOH-HSZRJFAPSA-N 449.599 3.773 0 40 IHAB COc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1S(=O)(=O)NCc1ccccc1 20024845 QILQSXXJNOGENF-UHFFFAOYSA-N 432.448 3.704 0 40 IHAB COC(=O)c1ccc(NC(=O)Cn2nc(-c3ccc(C)cc3)c3c(c2=O)CCCC3)cc1 20095345 QKEFEDBQGNKZSL-UHFFFAOYSA-N 431.492 3.523 0 40 IHAB CS(=O)(=O)N(CC(=O)N[C@H]1CCCc2ccccc21)c1cc(Cl)cc(Cl)c1 20488498 MXNRUFBHYBOCPD-SFHVURJKSA-N 427.353 3.953 0 40 IHAB COc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)CC1=O 21607030 MFSKXYPPNCDAOR-LBPRGKRZSA-N 437.279 3.537 0 40 IHAB O=C(NCc1ccc(F)cc1)c1ccc2c(O)nc3c(-c4ccccc4F)nnn3c2c1 21867344 IBTMBMWXFFJUQS-UHFFFAOYSA-N 431.402 3.858 0 40 IHAB Cc1cccc(NC(=O)CN2CCN([C@H](C)C(=O)Nc3cccc(Cl)c3)CC2)c1C 22783233 KVJNEYLKKCGSBT-GOSISDBHSA-N 428.964 3.540 0 40 IHAB CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 23908794 WPANZNCUODYMOY-ZRZAMGCNSA-N 426.520 3.880 0 40 IHAB O=C(Nc1ccc(C(=O)N2CCN(Cc3ccc(Br)s3)CC2)cc1)C1CC1 24601801 XYTCSPYURRWVMW-UHFFFAOYSA-N 448.386 3.817 0 40 IHAB CCCCc1ccc(NC(=O)[C@@H]2CCC(=O)N2S(=O)(=O)c2ccc(OC)c(C)c2)cc1 28210170 WBIQGZIDNLFCFQ-FQEVSTJZSA-N 444.553 3.665 0 40 IHAB CCOCc1ccccc1CNC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1 30177326 VMLIWSCVKCFNEA-UHFFFAOYSA-N 444.578 3.944 0 40 IHAB C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1ccc(CCNS(C)(=O)=O)s1 31336541 OXLKJYJSFYXNIH-LLVKDONJSA-N 435.398 3.980 0 40 IHAB O=c1ccc2ccc(Oc3nc(CN4CCOCC4)nc4sc5c(c34)CCC5)cc2o1 33413011 NACUKHITOXMIKU-UHFFFAOYSA-N 435.505 3.911 0 40 IHAB O=C1CSc2sc3c(=O)n(C[C@@H](c4ccccc4Cl)N4CCCC4)cnc3c2N1 35671294 UOTNQGSEQYHAOI-AWEZNQCLSA-N 446.985 3.993 0 40 IHAB CN(Cc1nc2ccccc2n1C(F)F)C(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 40052479 SXTAHHAIYTWAFR-SFHVURJKSA-N 428.439 3.821 0 40 IHAB CNC(=O)CN(C)C(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc(OC)c1OC)CC2 40060265 JSDCUQLKWNEUIX-JQIJEIRASA-N 445.519 3.557 0 40 IHAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)N[C@@H](C)Cc1ccccc1Cl 40111958 OLLSRPRARXTUPX-JTQLQIEISA-N 425.842 3.703 0 40 IHAB CCOc1ccc([C@H](C)NC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)cc1 44946841 TXXVPQJJLATJME-SFHVURJKSA-N 430.570 3.892 0 40 IHAB COc1cc(N2C(=O)C[C@H](c3ccccc3F)c3sc(=O)n(C)c32)cc(OC)c1OC 49547317 LSZPCNBIKGTEAE-CQSZACIVSA-N 444.484 3.812 0 40 IHAB CCOC(=O)c1nnc2c(-c3ccc(Br)cc3)c(C)nn2c1/C=C/N(C)C 49770880 OQCUAOPFOAIWRQ-ZHACJKMWSA-N 430.306 3.571 0 40 IHAB O=C1N[C@]2(COC3(CCN(Cc4cccc5nccnc45)CC3)C2)Nc2ccc(Cl)cc21 72325610 HVVYSIVIZVJLRD-XMMPIXPASA-N 449.942 3.590 0 40 IHAB Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@@H]2CCCN(C(=O)CN3CCCC3)C2)n1 72346134 GAFHMKPUELJFRQ-MRXNPFEDSA-N 433.478 3.546 0 40 IHAB CCCc1cc(C(=O)N2CCN(CCC)C(=O)[C@H]2Cc2ccccc2-c2ccncc2)no1 72351524 CPVKCMBHKNGAGN-XMMPIXPASA-N 446.551 3.995 0 40 IHAB CCn1c(CN2CCO[C@H](c3cc(C(=O)NC)c4ccccc4n3)C2)nc2ccccc21 72352724 KQRMCOIPPCGLAV-QHCPKHFHSA-N 429.524 3.538 0 40 IHAB COc1cccc(Cn2c(=O)[nH]c3cc(-c4nc(-c5cccc(C)c5)no4)ccc3c2=O)c1 85601859 AZQNCKFQEWWIOL-UHFFFAOYSA-N 440.459 3.772 0 40 IHAB CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@H](C)c1nc(C)cs1 96013915 JCNOYVJNLKTYQD-LRDDRELGSA-N 426.007 3.876 0 40 IHAB Cc1nn(Cc2ccc(Br)cc2)c(C)c1N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 101075476 GMEWGLAWBFPYDJ-UOVPBQLFSA-N 426.314 3.622 0 40 IHAB CCOc1ccc(CNC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)cc1 113946417 DDVOMWRSTCXQPJ-UHFFFAOYSA-N 430.551 3.902 0 40 IHAB CCCNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3cc(Cl)ccc3C)cc2)C1 165081123 PFXZYRCLJMQMRG-MRXNPFEDSA-N 443.931 3.545 0 40 IHAB NC(=O)[C@@H]1CCCCN1Cc1cc(Br)cc2c1O[C@@H](c1ccccc1)OC2 195531649 OWILTCXTEWYWNM-RXVVDRJESA-N 431.330 3.897 0 40 IHAB CCOC(=O)c1cc(NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)ccc1Cl 216235312 XAWKMOTWYBYUQL-UHFFFAOYSA-N 436.917 3.753 0 40 IHAB COc1ccc(S(=O)(=O)Nc2nnc(SCC(C)C)s2)cc1Br 222691345 FXVRZCJFLMRTRC-UHFFFAOYSA-N 438.394 3.858 0 40 IHAB Cc1ccccc1[C@H](NS(=O)(=O)c1nnc(NC(=O)C(C)C)s1)c1ccccc1 223410827 YOGXFRGHTYVASC-QGZVFWFLSA-N 430.555 3.509 0 40 IHAB CCc1ccc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3cccc(C)c3)CC2)cc1 225112133 SYIQNAMYRBUPJR-LJQANCHMSA-N 428.598 3.977 0 40 IHAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1cc(OC)cc(OC)c1 225154973 NKEIANJZONEGLW-HSZRJFAPSA-N 442.556 3.725 0 40 IHAB CSc1ccc(S(=O)(=O)NCCOc2ccc(C)cc2C)cc1NC(=O)C(C)C 225170833 DFOVJBYIOPJBBB-UHFFFAOYSA-N 436.599 3.977 0 40 IHAB CCc1ccc(CC)c(CNS(=O)(=O)c2nnc(NC(=O)c3ccc(C)cc3)s2)c1 225507444 WWVVHYQSPYEVIZ-UHFFFAOYSA-N 444.582 3.702 0 40 IHAB CCN(CC)C(=O)c1cnc([C@@H]2CCCCN2C(=O)CCN2CCc3ccccc32)nc1C 257237836 HIKAITBHCOSCSP-QHCPKHFHSA-N 449.599 3.773 0 40 IHAB Cc1cccc(Cc2cccc([C@@H]3CCCN(Cc4ccnc(N5CCOCC5)n4)C3)n2)c1 257262248 LKSIZNLKLNOPFU-HSZRJFAPSA-N 443.595 3.987 0 40 IHAB Cc1nccn1CCC(=O)NC[C@H]1CC[C@H](c2cc(C(=O)N(C)C)c3ccccc3n2)CC1 257322735 WHEFRQSNTUTXBF-MXVIHJGJSA-N 447.583 3.922 0 40 IHAB CCN(CC)C(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1Cl 408560782 FBPXSJMSEOYRCA-UHFFFAOYSA-N 436.961 3.729 0 40 IHAB O=S1(=O)CC[C@H](N(CCNCc2ccccc2Cl)Cc2ccccc2Cl)C1 575420901 KWZJJPYXUNQCFC-SFHVURJKSA-N 427.397 3.772 0 40 IHAB COc1ccc2c(c1)CCCN(C(=O)[C@@H]1CC(=O)N(c3cc(Cl)ccc3OC)C1)C2 590732847 XIRKKRAHQFHSFL-QGZVFWFLSA-N 428.916 3.685 0 40 IHAB COc1ccccc1Oc1ccc(N[C@@H]2CC(=O)N(Cc3ccc(C(=O)O)cc3)C2=O)cc1 608016587 ROPHLKIFIOKLPT-HXUWFJFHSA-N 446.459 3.925 0 40 IHAB Cc1noc(C)c1C(=O)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 643573413 DFAPBMIQPCDXTL-UHFFFAOYSA-N 426.513 3.862 0 40 IHAB O=S(=O)(c1cccc(Cl)c1)N1[C@H]2CC[C@H]1CC(n1cc(Br)cn1)C2 1775974901 WEYLAWZNNFKJEL-KBPBESRZSA-N 430.755 3.856 0 40 IHAB O=C(Nc1ccc(I)cc1)[C@@H]1CCCN1C(=O)c1cccs1 858127 DJXIDXJNZNOLFN-ZDUSSCGKSA-N 426.279 3.596 0 40 IHAB COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccco4)CC(=O)N32)c1 2105245 JDAGPWOCCGESNM-WIOPSUGQSA-N 441.487 3.655 0 40 IHAB biogenic COc1cc(NC(=O)C(=O)Nc2cc(OC)c(Cl)cc2OC)c(OC)cc1Cl 2431059 ZXFSMUQFMFIBNC-UHFFFAOYSA-N 429.256 3.605 0 40 IHAB CCCNCc1cc(OC)c(OCC(=O)NCCc2ccccc2)cc1Br 2741172 JSYGLVYJSUOLGW-UHFFFAOYSA-N 435.362 3.695 0 40 IHAB Cc1sc2nc3c(C(=O)N4CCCC4)cc(C(=O)c4ccccc4O)cn3c(=O)c2c1C 3418967 JEKWSVXAVSBYDR-UHFFFAOYSA-N 447.516 3.699 0 40 IHAB O=C(Nc1ccccc1Cc1ccccc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 3473613 AVYWYEMBKKOOSR-UHFFFAOYSA-N 436.533 3.551 0 40 IHAB Cc1cc(C)c(C(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C 3587806 AHUZXPUNIYSFQX-UHFFFAOYSA-N 429.538 3.826 0 40 IHAB Cc1ccc2cc(CN(Cc3ccco3)C(=S)NCCCN(C)C)c(=O)[nH]c2c1C 4132253 OSWWRQNQLXFJGL-UHFFFAOYSA-N 426.586 3.566 0 40 IHAB CCOC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2CC)c1 6878417 HZNYXXOEVAQASO-UHFFFAOYSA-N 440.525 3.881 0 40 IHAB Cc1cccc(C)c1O[C@H](C)C(=O)NC[C@H](C)NC(=O)[C@@H](C)Oc1c(C)cccc1C 8163790 GZYXHVUWYJISGZ-PWRODBHTSA-N 426.557 3.776 0 40 IHAB Cc1ccc(S(=O)(=O)[C@H](CNC(=O)COc2ccc(Cl)cc2)c2cccnc2)cc1 8718017 PWDFPSKACUKNLC-OAQYLSRUSA-N 444.940 3.754 0 40 IHAB COc1ccc(N2C[C@@H](CNC(=O)Nc3cccc(C(F)(F)F)c3)OC2=O)cc1OC 8868449 YTCUYLRYXYQONQ-OAHLLOKOSA-N 439.390 3.870 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]3CCCN3[C@]23C(=O)Nc2c(C)cc(C)cc23)cc1 8876758 HIYMQBNHSINOIA-UTAZYMRLSA-N 447.535 3.751 0 40 IHAB biogenic COc1ccc2[nH]cc(CCNC(=O)Cc3c(C)c4cc(Cl)c(O)cc4oc3=O)c2c1 8877105 ZIHGZHCWKULTNC-UHFFFAOYSA-N 440.883 3.852 0 40 IHAB biogenic CCCCOC(=O)c1cccc(NC(=O)CCC(=O)OCC(=O)c2ccc(F)cc2)c1 9094744 UMAIYXULBMKKPL-UHFFFAOYSA-N 429.444 3.927 0 40 IHAB O=c1/c(=C/c2ccncc2)sc2n1[C@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 9111407 ATXHTPXZIHDDQC-PZHBDVNGSA-N 427.554 3.775 0 40 IHAB O=C1CCCN1C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1 9119851 BDXCVQRQPIKHIP-UHFFFAOYSA-N 426.929 3.888 0 40 IHAB COc1cc([C@H]2CC(=O)Nc3nc(C)[nH]c(=O)c32)ccc1OCc1ccc(Cl)cc1 9129908 DTRQURRXEMXZLL-MRXNPFEDSA-N 425.872 3.793 0 40 IHAB O=c1cc(CSc2nnc(-c3ccc(F)cc3)o2)nc2ccc(Br)cn12 9283963 LDQQWQDCAQFAMP-UHFFFAOYSA-N 433.262 3.938 0 40 IHAB COc1cc(OC)cc(C(=O)Nc2nnc(SCC(=O)Nc3ccccc3)s2)c1 9364081 NNHUTYJYELOMMR-UHFFFAOYSA-N 430.511 3.538 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCN=C2SCc2cccc(C)c2)cc1 9381069 WVXICULENOQHCM-UHFFFAOYSA-N 445.610 3.771 0 40 IHAB O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1cccc(S(=O)(=O)N2CCCC2)c1 9467777 CAKQOFULSFIFCQ-UHFFFAOYSA-N 431.514 3.986 0 40 IHAB NS(=O)(=O)c1ccc(CNC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)s1 9613758 JLXBNKCZYMATKZ-UHFFFAOYSA-N 441.509 3.680 0 40 IHAB COc1cc(OC)cc(-n2nnc(-c3nsc(NC(=O)c4ccc(C)cc4)n3)c2C)c1 9638338 JZEGZDXXBSATFZ-UHFFFAOYSA-N 436.497 3.672 0 40 IHAB COc1cc(S(=O)(=O)Nc2ccccc2F)cc(C(=O)N(C)Cc2ccco2)c1OC 9671150 DHCRCHYCDBOTRZ-UHFFFAOYSA-N 448.472 3.509 0 40 IHAB O=C(CN1CCc2sccc2[C@H]1c1cccs1)NC(=O)Nc1ccc2c(c1)OCO2 9712411 VBLFTOLXJXMZEA-FQEVSTJZSA-N 441.534 3.834 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(CN2CCCC2=O)cc1 9904358 HJGZUVHGBJQGEC-UHFFFAOYSA-N 449.532 3.862 0 40 IHAB Cc1cc(O[C@H](C)C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c2c3c(c(=O)oc2c1)CCC3 11866941 WMFXLMDQUNVGID-BFIDETRKSA-N 425.525 3.511 0 40 IHAB biogenic CC[C@H]1CO[C@H](c2cccc(OC)c2)c2c3c(c(-c4ccccc4)n21)c(=O)n(C)c(=O)n3C 12419167 KWTCLVGDXDUYKP-MHECFPHRSA-N 445.519 3.785 0 40 IHAB Cc1cccc(OCCC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)c1 12600758 OCFRBQVLKFUZRI-UHFFFAOYSA-N 440.525 3.610 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccccc1OC(F)F 12630281 MHZUWIVPQZPLRT-UHFFFAOYSA-N 425.438 3.798 0 40 IHAB O=C(CSc1ncnc2sccc12)NCc1ccc(C(=O)N2CCCCC2)cc1 12745770 CTSNJUJNULYTMN-UHFFFAOYSA-N 426.567 3.726 0 40 IHAB CCOC(=O)c1sc2cccc(F)c2c1COC(=O)[C@H]1CCCN(c2ncccn2)C1 12813627 KYBHQNWPJJCEQA-AWEZNQCLSA-N 443.500 3.967 0 40 IHAB Cc1nc(-c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(CCC(=O)O)cc2)cs1 12882053 BDFPIENDIAMGAX-UHFFFAOYSA-N 428.535 3.887 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3c(C)cccc3C(C)C)CC2)c(C)c1 13041251 IRFAADPFOTUJPJ-UHFFFAOYSA-N 443.613 3.680 0 40 IHAB C[C@@H](C(=O)O[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)N1C(=O)c2ccccc2C1=O 13147570 SAYGRMXQNDDUNX-BTYIYWSLSA-N 446.434 3.733 0 40 IHAB Cc1ccc2[nH]c(=O)c(CN(CCCO)[C@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 13500545 YPVNAAHAVQEILO-QFIPXVFZSA-N 438.576 3.520 0 40 IHAB COc1ccccc1[C@H](c1nnnn1Cc1ccccc1)N1CCN(c2ccccc2)CC1 13504650 MVFMXIYEQWCFLR-RUZDIDTESA-N 440.551 3.642 0 40 IHAB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)N1CCc2ccccc2C1 13677299 DKNBNUBBEFGVIY-UHFFFAOYSA-N 434.561 3.505 0 40 IHAB COc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)COc1ccc(Cl)cc1 14291373 GFJCXAYUVIWZIS-UHFFFAOYSA-N 429.889 3.841 0 40 IHAB COc1ccccc1CCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 14603547 WVPXWMLGVNQXOJ-UHFFFAOYSA-N 438.549 3.801 0 40 IHAB CC(C)(C)N(Cc1ccccc1)C(=O)CN1C(=O)N[C@](C)(c2ccccc2Cl)C1=O 16046475 DOYKKJHFEMKLFK-HSZRJFAPSA-N 427.932 3.934 0 40 IHAB COc1ccc(NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)cc1Cc1ccccc1 16274484 WONINAZSPVNVDI-UHFFFAOYSA-N 436.533 3.979 0 40 IHAB CCOc1ccccc1C(=O)N1CC[C@](Cc2ccccc2-c2cccnc2)(C(N)=O)C1 19520022 CJPJXRUIDYZKAY-AREMUKBSSA-N 429.520 3.708 0 40 IHAB CCc1cc(C(F)(F)F)c2c(C3CCN(S(=O)(=O)N4CCCCC4)CC3)noc2n1 19522108 UFWUJTHPYPLDAO-UHFFFAOYSA-N 446.495 3.714 0 40 IHAB CN(C)C(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCCN(C(=O)c2cccnc2)C1 19579382 YZGBVGLHFZKUMJ-AREMUKBSSA-N 428.536 3.697 0 40 IHAB Cc1cc(C(F)(F)F)nn1CCCNC(=O)c1cc(-c2cnn(C)c2)nc2ccccc12 19635663 AOLJVSGBZDCQQA-UHFFFAOYSA-N 442.445 3.979 0 40 IHAB COc1c(C)cccc1C(=O)NC(=S)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1 19643429 VJIGNBJFKSLDCL-UHFFFAOYSA-N 445.500 3.931 0 40 IHAB CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cc(F)ccc2F)c(Cl)c1 20023440 FMFPNEUGSYMWPQ-UHFFFAOYSA-N 432.876 3.714 0 40 IHAB Cc1cc2oc3c(c(=O)c2cc1Cl)[C@@H](c1ccccc1)N(CCN1CCOCC1)C3=O 20308698 SFLBHMNDHLWJGC-OAQYLSRUSA-N 438.911 3.632 0 40 IHAB CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 20452301 DPJRXCUEPWEXFW-AWEZNQCLSA-N 431.539 3.912 0 40 IHAB COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccccc1Cl 20722473 VPPKLSZRKSVNNW-FPOVZHCZSA-N 438.915 3.505 0 40 IHAB COc1cc(OC)c2cc(C(=O)N[C@@H](C)C(=O)Nc3nc4ccccc4s3)n(C)c2c1 20725750 VDMYCUGIPIZBBT-LBPRGKRZSA-N 438.509 3.562 0 40 IHAB CC(C)N(C(=O)COc1ccc(CCO)cc1-n1nc2ccccc2n1)c1ccccc1 21585488 NYSXLHJQCAABFJ-UHFFFAOYSA-N 430.508 3.776 0 40 IHAB C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1ccccc1OC(F)(F)F)C2=O 21759508 GDPKXWYEDZKLSX-HXPMCKFVSA-N 427.423 3.661 0 40 IHAB COc1ccc([C@@H](C)NC(=O)CCCN(c2cc(C)ccc2C)S(C)(=O)=O)cc1OC 22516448 NSLUDSVVWWWSJS-GOSISDBHSA-N 448.585 3.744 0 40 IHAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1 22536803 IFAHIUJHFIRCLO-RTBURBONSA-N 432.586 3.945 0 40 IHAB CCOC(=O)C1CCN([C@@H](c2ccc(C)cc2)c2sc3nc(CC)nn3c2O)CC1 22853502 VDRRKCSWJUAPAW-SFHVURJKSA-N 428.558 3.732 0 40 IHAB O=C(Cn1nc2c(c1NC(=O)c1c(F)cccc1Cl)CSC2)NCc1ccco1 23139371 HPWCLMZXXPNDLB-UHFFFAOYSA-N 434.880 3.584 0 40 IHAB COc1ccc(-n2cc(-c3ccccc3)c3c(NCCN4CCOCC4)ncnc32)cc1 24102731 KVMUAVWRNPDDQB-UHFFFAOYSA-N 429.524 3.840 0 40 IHAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1nnc(-c2cccs2)n1CCC(N)=O 25048786 VAGWYLASKNIOKD-GFCCVEGCSA-N 449.989 3.963 0 40 IHAB COC(=O)[C@H](/C=C/C1CCN(C(=O)OC(C)(C)C)CC1)NC(=O)OCc1ccccc1 26896155 DDLVFWWQXXYWDQ-VYENPZKTSA-N 432.517 3.658 0 40 IHAB CCCCCC(=O)N[C@@H](NC(=S)NNc1ccccc1O)C(Cl)(Cl)Cl 27026390 HKZJLIDFHKBVIS-ZDUSSCGKSA-N 427.785 3.576 0 40 IHAB CCn1c(=O)c2ccccc2n2c(CSc3nc(C4CC4)n(-c4ccccc4)n3)nnc12 29355706 OFNJQOXZMIDEFC-UHFFFAOYSA-N 443.536 3.815 0 40 IHAB CCOc1ccc(CN(C)C(=O)c2cccc(I)c2)cc1OC 31195813 NYKAIMSRUOQFIX-UHFFFAOYSA-N 425.266 3.971 0 40 IHAB O=C(Nc1ccnn1Cc1cccc(Cl)c1Cl)C1CCN(c2ncccn2)CC1 32926185 XXLBKFOWAZEOCX-UHFFFAOYSA-N 431.327 3.883 0 40 IHAB O=C(CCN1C(=O)S/C(=C\c2ccco2)C1=O)NCCc1c[nH]c2ccc(F)cc12 33584760 QDUBCLQMHXQUFY-WQRHYEAKSA-N 427.457 3.685 0 40 IHAB COC(=O)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(c2ccccc2F)C12CCCCC2 36367305 KWNHBYBJKBQZNK-QFIPXVFZSA-N 438.499 3.952 0 40 IHAB Cc1ccc(OC(F)F)c(NC(=O)CCn2c(=O)cc(C(F)F)c3cn(C)nc32)c1 36621409 FJZCEWFVPHLANP-UHFFFAOYSA-N 426.370 3.611 0 40 IHAB Cc1c(Cl)cccc1NC(=O)[C@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1 38849655 STDCCRQALCRKDS-QGZVFWFLSA-N 429.325 3.858 0 40 IHAB Cc1ccccc1Oc1nccn2c(=O)n(CC(=O)Nc3cc(Cl)ccc3Cl)nc12 49008625 VWQRMORETCCPMB-UHFFFAOYSA-N 444.278 3.937 0 40 IHAB Cc1ccc2c(c1)N(Cc1ccc(F)cc1)N=C(C(=O)N1CCCCCC1)S2(=O)=O 49402728 UOLNUVRPKDXADL-UHFFFAOYSA-N 429.517 3.644 0 40 IHAB Cc1cc(C)cc(-n2c(=O)c3sccc3n(CC(=O)NCCCc3ccccc3)c2=O)c1 57492271 GGNCZNXMKZKFMX-UHFFFAOYSA-N 447.560 3.580 0 40 IHAB COc1ccc(NC(=O)c2ccc(NC(=O)CN3CCN(c4ccccc4)CC3)cc2)cc1 58120324 JJFORHSGJRAXAP-UHFFFAOYSA-N 444.535 3.708 0 40 IHAB Cc1ccc(-n2cnnc2SCC(=O)NCC(C)(C)N2C[C@@H](C)C[C@H](C)C2)cc1C 58196842 BWUUPWICYFJYOE-IRXDYDNUSA-N 429.634 3.849 0 40 IHAB CCN(CC)C(=O)c1cnc([C@@H]2CCCCN2C(=O)COc2ccc(F)cc2)nc1C 72345497 WNLUPJJVROUOIV-FQEVSTJZSA-N 428.508 3.539 0 40 IHAB Cc1oc(C(=O)N2CC=C(n3c(C)nc(=O)c4ccccc43)CC2)cc1CN1CCCCC1 72348217 KESTWHGWURCDKA-UHFFFAOYSA-N 446.551 3.979 0 40 IHAB Nc1c(Br)cc(Br)cc1-c1nn2c(C(F)(F)F)nnc2s1 73634284 MDAMTNUGUHXMDU-UHFFFAOYSA-N 443.046 3.979 0 40 IHAB CC(C)(C)OC(=O)N1CCC2(CC[C@@H](C(=O)O)N(C(=O)OCc3ccccc3)C2)CC1 91302579 YEINFTFLMWCTAM-SFHVURJKSA-N 432.517 3.890 0 40 IHAB CCC[C@](C)(O)[C@H]1C[C@@]23C=C[C@]1(OC)[C@@]1(C)Oc4c(O)ccc5c4[C@@]12CCN(C)[C@@H]3C5 96316389 GGSNWFNWEAZKML-BPJYJMSRSA-N 425.569 3.554 0 40 IHAB biogenic,in-vitro CC[C@@]1(C)c2sc(=O)[nH]c2S[C@H]2[C@H]3C[C@@H]([C@H]4C(=O)N(c5ccc(F)cc5)C(=O)[C@H]34)[C@@H]21 101261840 HYDGNKXEKCMXEV-SERDHDDISA-N 444.553 3.789 0 40 IHAB CCCCN1C(=O)[C@H]2[C@H](C1=O)[C@H](C(=O)Nc1ccc(Cl)cc1)N1c3ccccc3C=C[C@H]21 102800434 WZBOSIJWIIQYLD-YUMYIRISSA-N 449.938 3.964 0 40 IHAB COc1ccc(NC(=O)c2ccc(N[C@@H]3CC(=O)N(c4ccc(OC)cc4)C3=O)cc2)cc1 103292102 DJTHEBNQHWFBNU-JOCHJYFZSA-N 445.475 3.700 0 40 IHAB CC(C)ON1C(=O)[C@H]2[C@H](C1=O)[C@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl 104205039 CJOKNKQCRKVNOX-CRDJSWOESA-N 427.926 3.773 0 40 IHAB CC1CCN(S(=O)(=O)c2cccc(C(=O)NCCSCc3ccccc3)c2)CC1 219995187 NCOMHDNVJWOZLY-UHFFFAOYSA-N 432.611 3.770 0 40 IHAB C[C@@H](C(=O)NCCSCc1cccc(Cl)c1)N(c1cccc(F)c1)S(C)(=O)=O 220468853 XERIAFKDZGYHGC-AWEZNQCLSA-N 444.981 3.683 0 40 IHAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-n3cnnc3)c2C)cc1 223751367 GRGVIWGISULJAU-FCHUYYIVSA-N 445.552 3.589 0 40 IHAB Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)NCc1ccc(-n2ccnc2)cc1 224035062 SNGVFWQIASMZQS-HAHDFKILSA-N 426.476 3.861 0 40 IHAB COc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1COc1cc(C)cc(C)c1 224196112 YLGZDILBXPURSA-UHFFFAOYSA-N 440.521 3.791 0 40 IHAB CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN1C(=O)c2cccc3cccc1c23 224864413 LJEADEPRCLHPQZ-QGZVFWFLSA-N 447.510 3.883 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC3(CC2)CC(=O)c2ccc(Cl)cc2O3)cc1C 225827046 KCTMYXBWVZQETR-UHFFFAOYSA-N 435.929 3.846 0 40 IHAB CCn1cc(CN2CCO[C@H](c3cc(CCOc4ccc(Cl)cc4)[nH]n3)C2)c(C)n1 257210033 BSVMZGIGODTAMR-QFIPXVFZSA-N 429.952 3.783 0 40 IHAB COc1ccc(CN2C(=O)Cc3c(C)nc([C@@H]4CCN(C(=O)C5CCCCC5)C4)nc32)cc1 257290805 QEJQEAYUZORPLC-HXUWFJFHSA-N 448.567 3.779 0 40 IHAB CO[C@H]1CC[C@H](C(=O)N2Cc3ccccc3OC3(CCC(N(C)C(C)=O)CC3)C2)CC1 257313110 URCDISHOXKZZTB-GHRRCMPNSA-N 428.573 3.773 0 40 IHAB COc1ccc(CN2CCC[C@H]([C@](O)(CNC(=O)C(C)(C)C)c3ccccn3)C2)c(C)c1 257318743 VPFAOUPANAXFAV-HFZDXXHNSA-N 439.600 3.661 0 40 IHAB CC1CCN(CCCNC(=O)[C@H]2C[C@H]3CC[C@@]2(C)C[C@]32NC(=O)c3ccccc3N2)CC1 257335013 YIIFWSPCQBXJFO-AIIMPHFFSA-N 438.616 3.603 0 40 IHAB CC[C@H]1CCCCN1CCCNC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1 260561309 BPMPBPAQNQDSFA-IBGZPJMESA-N 449.642 3.958 0 40 IHAB Cc1nc(C(=O)N2C[C@H]3c4cc(-c5ccc(F)cc5)ccc4S(=O)(=O)[C@H]3C2)cs1 306144629 ZKKJEXUDNYJCSN-PXNSSMCTSA-N 428.510 3.653 0 40 IHAB CC1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2Cl)CC1 408590094 JCTPFRDDVWXADQ-UHFFFAOYSA-N 440.924 3.917 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCCOC(C)C)c2cccc(Cl)c2)cc1 409266658 QSGFDJJIRQSKQK-UHFFFAOYSA-N 438.977 3.775 0 40 IHAB C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(N)=O)C(=O)N2CCCn1ccc2ccc(Cl)cc21 524734408 BYRDUEGDMVHKTE-XZOYJPPVSA-N 437.927 3.911 0 40 IHAB O=C(NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)Nc1ncc(Cc2ccc(F)c(F)c2)s1 562077997 PEHNTUSPYLZCIC-KBXCAEBGSA-N 437.512 3.701 0 40 IHAB CN(Cc1ccccc1)[C@H]1[C@H](NC(=O)OC(C)(C)C)C[C@@H](Oc2ccccc2F)[C@@H]1O 585261659 DXKZYZCIMMCKDC-YJMBLLCNSA-N 430.520 3.732 0 40 IHAB C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)N1CCN(C(=O)c2cccc(O)c2)CC1 590506592 HAFKWIUXBNJHEW-HXUWFJFHSA-N 444.531 3.735 0 40 IHAB CC(=O)N1CCCCCCCN(C2CCOCC2)Cc2cc(C(=O)NC3CC3)ccc21 643574992 AFVDOSCVTMJVRH-UHFFFAOYSA-N 427.589 3.877 0 40 IHAB CC(C)c1ccc2c(c1)NC(=O)CN1CCN(C(=O)Nc3ccc(F)c(F)c3)C[C@H]1CO2 1772594564 LSTWNFGXPOTANE-KRWDZBQOSA-N 444.482 3.637 0 40 IHAB Cc1nc(CN2CC3(CCN(C(=O)c4ccnc(C(F)(F)F)c4)CC3)CC2=O)cs1 2055795852 ICNGISKKKNWYGL-UHFFFAOYSA-N 438.475 3.520 0 40 IHAB Cc1sc2nc(CSc3nnc([C@@H]4COc5ccccc5O4)n3C)[nH]c(=O)c2c1C 3452600 HMIGLJCOLFWTRN-AWEZNQCLSA-N 441.538 3.535 0 40 IHAB COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)cc1 3611702 PNFAGLWGSBBSCJ-UHFFFAOYSA-N 430.570 3.536 0 40 IHAB Cc1cc(C)c2cc([C@@H](c3nnnn3Cc3ccccc3)N3CCCCC3)c(=O)[nH]c2c1 6301745 NLZOKZCBACRRGD-QHCPKHFHSA-N 428.540 3.755 0 40 IHAB O=C(NCC1(N2CCCCC2)CCCCC1)C1CCN(C(=O)c2ccc(F)cc2)CC1 8313015 FCYFQDIQPPCDGF-UHFFFAOYSA-N 429.580 3.983 0 40 IHAB O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccccc1OCCOc1ccccc1 8723190 MTWLZYKQIPPZSW-UHFFFAOYSA-N 446.503 3.869 0 40 IHAB CCN(c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccccc3Cl)C2=O)cc1)C(C)C 8885179 CVZIUZSESQPFTM-HSZRJFAPSA-N 442.947 3.980 0 40 IHAB O=C(CCC(=O)OCC(=O)c1ccc(OC(=O)c2ccco2)cc1)Nc1ccc(F)cc1 8922200 OAWKQQWLJJCSRR-UHFFFAOYSA-N 439.395 3.783 0 40 IHAB COc1ccc([C@H]2Nn3c(nnc3-c3ccccc3)S[C@@H]2C(=O)N2CCCCC2)cc1 9236510 KRRJQOYLQRUYDF-UXHICEINSA-N 435.553 3.725 0 40 IHAB CC(=O)N1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccco3)=NN12 9427620 ZNHSVJLISJJARY-QGZVFWFLSA-N 430.302 3.924 0 40 IHAB C[C@H](Sc1nnc(COc2ccccc2F)n1N)C(=O)Nc1ccc2ccccc2c1 9464446 OGNDJZBXOIWOKC-AWEZNQCLSA-N 437.500 3.983 0 40 IHAB COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)CCCOc1ccc(C)cc1 9478750 CFWFNJHVLRUJHN-NRFANRHFSA-N 441.524 3.860 0 40 IHAB O=C1CCCN1c1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 9638219 OOYXPOMYXLNQLJ-GOSISDBHSA-N 427.551 3.949 0 40 IHAB O=C(CSc1nc2ncccc2c(=O)n1Cc1ccc(F)cc1)Nc1ccccc1F 9830329 SHSWOTFUPXJRGS-UHFFFAOYSA-N 438.459 3.849 0 40 IHAB CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(N3CCCCCC3)cc2)cc1 9835039 WDFFZBGRQKKZOA-KRWDZBQOSA-N 443.569 3.575 0 40 IHAB O=C(NCCCn1ccc2ccccc21)c1cccc(S(=O)(=O)NCc2ccccc2)c1 9949398 DWXMDGJDLFJFMJ-UHFFFAOYSA-N 447.560 3.940 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COc1cc(C)ccc1C 9985416 DWBMEYLFTFBKOQ-UHFFFAOYSA-N 432.542 3.504 0 40 IHAB COc1ccc(NC(=O)CSc2nccn(-c3ccc(Cl)cc3)c2=O)c(OC)c1 10272817 GDEOGEMJRJJYKR-UHFFFAOYSA-N 431.901 3.634 0 40 IHAB CCOC(=O)c1c(CC(C)C)csc1NC(=O)Cn1ncc(Cl)c(Cl)c1=O 10284573 BBSKADPATZEPEG-UHFFFAOYSA-N 432.329 3.626 0 40 IHAB COc1ccc(-c2nnc(O)c3c2[C@@H](c2ccc(Cl)cc2Cl)n2nnnc2N3)cc1 10295591 YBLPMQAZBRNFFZ-QGZVFWFLSA-N 442.266 3.846 0 40 IHAB COc1ccc(NC(=O)[C@@H](C)N(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)cc1Cl 10337669 BENMHLAJYAUZKZ-LLVKDONJSA-N 447.340 3.804 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)NC(C)C)c2)cc1 11328314 DKUCPVLYBSXVMZ-UHFFFAOYSA-N 448.541 3.591 0 40 IHAB CCOc1ccc(Nc2ncccc2C(=O)NCc2cccc(NS(C)(=O)=O)c2)cc1 11360440 GLBRAIDLODATEI-UHFFFAOYSA-N 440.525 3.525 0 40 IHAB COc1ccc(-n2nnc3c(SCC(=O)Nc4ccc(C)c(Cl)c4)ncnc32)cc1 11758662 JVWVDJLYTLPHJV-UHFFFAOYSA-N 440.916 3.912 0 40 IHAB CCCCc1cc(=O)oc2c(C)c(OCC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)ccc12 11866915 FZDXWPBMMTUCCU-CLOONOSVSA-N 427.541 3.976 0 40 IHAB biogenic CC[C@H](NCC(=O)Nc1ccccc1N1CCOCC1)c1ccc(Br)cc1 12555194 VXMKRJJJQOLCNT-SFHVURJKSA-N 432.362 3.965 0 40 IHAB COc1ccccc1CN(C)C(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 12583612 SVTMIZBUHGNBHN-UHFFFAOYSA-N 442.512 3.836 0 40 IHAB COC(=O)c1ccccc1N(C)C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 12768055 BRUGZKXIRIZUAF-UHFFFAOYSA-N 438.505 3.575 0 40 IHAB C[C@@H](NC(=O)c1ccco1)C(=O)Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1 12773454 XWABUYMHJYNZTM-LLVKDONJSA-N 439.415 3.983 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3cc(C)ccc3C)CC2)c(C)c1 12857977 VYXAURZWQJYBKR-UHFFFAOYSA-N 432.611 3.545 0 40 IHAB CC(C)CCC[C@@H](C)NC(=O)[C@H](C)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 12866851 DVUZCEVUSFTGRH-YPBQGGFRSA-N 438.572 3.923 0 40 IHAB biogenic Cc1cc(CNC(=O)N2CCN(Cc3ccc(Br)s3)CC2)ccc1F 13006823 ZTNBKRWJXGKYQD-UHFFFAOYSA-N 426.355 3.986 0 40 IHAB O=C(CSc1ccc2c(c1)OCCO2)Nc1cc(C(F)(F)F)ccc1-n1cncn1 13117230 GGZRXFORBDVTNU-UHFFFAOYSA-N 436.415 3.788 0 40 IHAB Cc1ccc(F)cc1NC(=O)Cn1c(=O)n(CCc2ccccc2)c(=O)c2sccc21 13533609 XQYSHQYZGVFHTD-UHFFFAOYSA-N 437.496 3.554 0 40 IHAB CCOC(=O)[C@H]1CCCN(c2ccc(NCc3cc4ccc(OC)cc4[nH]c3=O)cc2)C1 13563098 SWYUOSIXTRTZLX-SFHVURJKSA-N 435.524 3.928 0 40 IHAB O=C(CN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)NCCc1c[nH]c2ccc(F)cc12 13574028 ZATGXPQIMDWDEG-OCKHKDLRSA-N 441.459 3.841 0 40 IHAB COc1ccc(S(=O)(=O)NCc2cccc(OC(C)C)c2)cc1C(=O)N1CCCCC1 13667615 KAWXFAFOCIYMCL-UHFFFAOYSA-N 446.569 3.587 0 40 IHAB CCCCc1nnc(NC(=O)[C@H]2CC(=O)N(CCc3c[nH]c4ccc(F)cc34)C2)s1 13944950 VHRFQQFZRLWVAY-AWEZNQCLSA-N 429.521 3.531 0 40 IHAB CN(Cc1nc2ccccc2s1)C(=O)c1ccccc1S[C@@H]1CCS(=O)(=O)C1 14020503 KSHBFIUKKPMABL-CQSZACIVSA-N 432.592 3.848 0 40 IHAB C[C@@H](NCC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2ccccc2)cc1 14183660 PXIKLHWGRJHBGD-NTKDMRAZSA-N 440.609 3.963 0 40 IHAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CSc2nnc(N)s2)cc1 15156466 LKMDGANDTYPATK-KRWDZBQOSA-N 425.539 3.599 0 40 IHAB COc1cccc(OC)c1C(=O)N1CCNC(=O)[C@@H](Cc2cccc(-c3ccccc3)c2)C1 19566936 UFNQSFBDNVCEHV-QFIPXVFZSA-N 444.531 3.802 0 40 IHAB COc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1 19683181 QZOYQPBYEIQASW-UHFFFAOYSA-N 437.473 3.579 0 40 IHAB O=C(COc1ccc(F)cc1F)N1CC[C@@H](c2cc(COc3cccc(F)c3)[nH]n2)C1 19704651 BBTKVMSTCXSZAZ-CQSZACIVSA-N 431.414 3.801 0 40 IHAB Cc1nc([C@H]2CCCN(C(=O)c3cnccn3)C2)nc2c1CCCN2CCc1ccccc1 19706545 XKFQPFAXIWXQAF-NRFANRHFSA-N 442.567 3.590 0 40 IHAB Cc1nc([C@@H]2CCCN2C(=O)C2CCCC2)nc2c1CC(=O)N2CCc1ccc(F)cc1 19739806 IDJNDWDFBIQUHQ-NRFANRHFSA-N 436.531 3.910 0 40 IHAB Cc1ncc(C(=O)NC2CCCCC2)c([C@@H]2CCCN2C(=O)Cn2ccnc2C(C)C)n1 19767174 XLDVJZXPUKOZHH-FQEVSTJZSA-N 438.576 3.531 0 40 IHAB C[C@H](NC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1)c1ccc(Cl)cc1 20019271 XBUWFKQEXBAYAW-HNNXBMFYSA-N 436.961 3.817 0 40 IHAB O=C(Nc1ccc(OC(F)(F)F)cc1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 20152641 LZFQTFPRKMUWIY-LBPRGKRZSA-N 434.461 3.686 0 40 IHAB Cc1ccc(-c2cc(C(=O)N(Cc3cccs3)[C@@H]3CCS(=O)(=O)C3)no2)cc1C 21524239 WSQGOHARPUGPSH-QGZVFWFLSA-N 430.551 3.849 0 40 IHAB COc1ccc([C@@H](C)NC(=O)CN(c2ccccc2F)S(=O)(=O)c2cccs2)cc1 22397367 FARRBFVVAXUJPU-OAHLLOKOSA-N 448.541 3.969 0 40 IHAB O=S(=O)(c1ccccc1)c1cnc2ccc(F)cc2c1N1CCC2(CC1)OCCO2 22573592 ILIIXJYPOBIXIO-UHFFFAOYSA-N 428.485 3.550 0 40 IHAB COc1ccc(C)cc1NC(=O)CNC(=O)CCc1ncc(-c2c(F)cccc2F)o1 23003051 QFHNXOSRTXYAPN-UHFFFAOYSA-N 429.423 3.624 0 40 IHAB CCN1CCN(C(=O)[C@H](C)NC[C@@H](c2ccc(N(C)C)cc2)c2c[nH]c3ccccc23)CC1 23907578 NGEZKGNFMZHMJM-RDPSFJRHSA-N 447.627 3.508 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCCC2=CCCCC2)c(Cl)c1 28208100 LSONAWIUHBYYBG-UHFFFAOYSA-N 428.982 3.756 0 40 IHAB C[C@@H](Oc1ccccc1F)C(=O)N(Cc1cccc2ccccc12)[C@@H]1CCS(=O)(=O)C1 28228553 BXDRPPSBTICQEX-YLJYHZDGSA-N 441.524 3.962 0 40 IHAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@@H](c1ccc(OCC(C)C)cc1)SCC(=O)N2 31807198 OYOZGRQDPBOSLM-LJQANCHMSA-N 449.540 3.657 0 40 IHAB C[C@H]1CN(Cc2ccc(CNC(=O)CCCc3nnc(-c4ccccc4)o3)cc2)C[C@@H](C)O1 32665577 MNTNQUDCFHNEAB-BGYRXZFFSA-N 448.567 3.985 0 40 IHAB CCCn1c(SCc2cn3cc(Cl)ccc3n2)nc2cc(S(N)(=O)=O)ccc21 32672306 HAZWTXDCPUKIAN-UHFFFAOYSA-N 435.962 3.687 0 40 IHAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2cc(C(C)(C)C)ccc2OC)C1=O 32859602 RBNSTFNVRCEQID-DEOSSOPVSA-N 441.503 3.928 0 40 IHAB CN(c1ccc(OC(=O)C[C@H]2OC(=O)c3ccccc32)cc1)S(=O)(=O)c1ccccc1 32991095 BWMGWIGWYNEPNE-OAQYLSRUSA-N 437.473 3.719 0 40 IHAB COc1cccc(NC(=O)CSc2cc(C)c3cc(S(=O)(=O)N(C)C)ccc3n2)c1 33087820 MDFFFRQBEIHDKZ-UHFFFAOYSA-N 445.566 3.533 0 40 IHAB COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCN(c2cccc(Cl)c2)CC1 35976105 YLKPSSGFSFHMFU-UHFFFAOYSA-N 440.931 3.677 0 40 IHAB COc1ccc(OCC(=O)Nc2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc1 36394842 WFSICGTXXZILCE-UHFFFAOYSA-N 426.494 3.822 0 40 IHAB Cc1ccc(C)c(Oc2ccc(CNC(=O)CCc3nc4ccccc4c(=O)[nH]3)cn2)c1 40112505 QZOXTMYUHUHFBS-UHFFFAOYSA-N 428.492 3.976 0 40 IHAB O=C(Nc1cc(-c2ccccc2)nn1[C@@H]1CCS(=O)(=O)C1)c1cc(-c2ccccc2)on1 41155086 NDGSEJRUKXJGKD-GOSISDBHSA-N 448.504 3.817 0 40 IHAB COc1ccc(OCc2noc(CNC(=O)COc3ccc(Cl)cc3Cl)n2)cc1 44227202 IKNCVLABUWVZAL-UHFFFAOYSA-N 438.267 3.659 0 40 IHAB COc1cccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(OC)c(OC)c3)no2)c1 57487138 OLBFHLOHWBXGHT-UHFFFAOYSA-N 434.452 3.870 0 40 IHAB CC(C)CNC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2cc(C(C)(C)C)ccc2O1 64985444 QOMLYZKAVCEBBW-OAQYLSRUSA-N 430.570 3.713 0 40 IHAB COc1cccc([C@H](C)NC(=O)Cn2c(C)cc3nc(SC)n(CC(C)C)c(=O)c32)c1 67320167 ORAGVYKPIACFKT-INIZCTEOSA-N 442.585 3.770 0 40 IHAB COc1cc2c(cc1OC)[C@H]1c3ccccc3N(CC(=O)NCc3ccco3)C(=O)N1CC2 72342040 UFTJOAGSACFMFE-XMMPIXPASA-N 447.491 3.501 0 40 IHAB C[C@H](Cn1cc(Cl)cn1)C(=O)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1 72391479 PPZGMIGGYSUNMK-CQSZACIVSA-N 431.949 3.771 0 40 IHAB CNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](Cc2ccncc2)CC2CCCC2)c1 96011993 RTVNQTLMJWLQIK-KRWDZBQOSA-N 435.977 3.565 0 40 IHAB CCOc1ccc(C(=O)N2CCN(c3cc(-c4cccs4)n[nH]3)CC2)cc1OCC 98211833 LKBBCWMCTSMWMJ-UHFFFAOYSA-N 426.542 3.898 0 40 IHAB CC(C)[C@@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2ccccc2F)n1C 101164876 BZMDTALUUAKXQX-LJQANCHMSA-N 441.532 3.812 0 40 IHAB COc1ccc(-c2nn3c(nc2=O)-c2ccccc2N[C@H]3c2ccc(C(=O)O)cc2)cc1 101216365 ZLZSJHPCWCFJIS-OAQYLSRUSA-N 426.432 3.652 0 40 IHAB CC(=O)c1cccc(OC(=O)c2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H]([C@H]6C[C@H]56)[C@@H]4C3=O)cc2)c1 101222561 QSAUNIFIEJHIJN-AJIIZAQNSA-N 427.456 3.666 0 40 IHAB Cc1ccc(-c2ccc(OC(=O)CN3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@H]6C[C@H]56)[C@@H]4C3=O)c(C)c2)cc1 102077266 NRKQJMWKFLHSAS-BOUDZANMSA-N 427.500 3.929 0 40 IHAB O=C1[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1nn(Cc2ccc(Cl)cc2Cl)cc1Cl 102639924 AYJQHBAMAZERGP-TUVASFSCSA-N 426.687 3.558 0 40 IHAB CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2)=N[C@@H]1c1ccc(OC)cc1 103828311 QYHOUCRIKHKDDL-OAQYLSRUSA-N 439.537 3.905 0 40 IHAB CCOc1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2cccc(C(C)=O)c2)cc1 139006918 UPEBFZAUQMRFIH-UHFFFAOYSA-N 426.469 3.579 0 40 IHAB CC(C)(C)OC(=O)N[C@@]1(CN)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(Cl)c1 218632068 UGWFIKWKIQAQFF-BBTUJRGHSA-N 436.961 3.502 0 40 IHAB CC[C@@H](C(=O)NCCc1ccccc1)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 220698654 DYJMZCRFGDQSBG-SFHVURJKSA-N 429.369 3.897 0 40 IHAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 222591196 DGKUBIUSFFGVAS-FQEVSTJZSA-N 444.553 3.657 0 40 IHAB Cc1cc(S(=O)(=O)NC2CC2)ccc1OCC(=O)Nc1cccc(Cl)c1Cl 223053942 XNAPGNDCLPGPCL-UHFFFAOYSA-N 429.325 3.760 0 40 IHAB C[C@H]1Cc2cc(Br)cc3c(=O)c(C(=O)NCc4ccc5c(c4)OCO5)cn1c23 223107524 MAQNZDDAVHPSLS-NSHDSACASA-N 441.281 3.540 0 40 IHAB CC(C)Sc1ccccc1C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 224328831 KVDJJSARMSBFBL-UHFFFAOYSA-N 448.610 3.780 0 40 IHAB CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1cc(C)cc(C)c1C 225032012 SURUSOXVBPOXAO-FQEVSTJZSA-N 426.557 3.943 0 40 IHAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)o1 225444323 CKIXWMSKUBNAAJ-WOJBJXKFSA-N 442.566 3.840 0 40 IHAB Cc1cnc2c(C(=O)N3CCO[C@@H](c4cccc(Cc5cccc(Cl)c5)n4)C3)cnn2c1 257246715 IVLROHOZYJYKPX-JOCHJYFZSA-N 447.926 3.891 0 40 IHAB O=C1CO[C@]2(CCCN(C(=O)c3cccc4ncccc34)CC2)CN1CCc1ccccc1 257290981 QFCIQIRQLRAZKD-MHZLTWQESA-N 443.547 3.701 0 40 IHAB COc1ccc(OCC(=O)NC[C@H]2CC[C@H](c3nnc(-c4ccc(C)nc4)o3)CC2)cc1 257317450 VJUGNFRYOMQCOH-IYARVYRRSA-N 436.512 3.918 0 40 IHAB CC(=O)c1ccc(S(=O)(=O)N(CCn2ccc(C(F)(F)F)n2)C2CCCC2)cc1 390830569 LXANWBZSUACAQE-UHFFFAOYSA-N 429.464 3.738 0 40 IHAB O=C(CSc1nc2ccccc2s1)N1CC[C@@H](c2ccccc2)S(=O)(=O)CC1 390831411 RRVHTHPXWSRUBJ-SFHVURJKSA-N 432.592 3.777 0 40 IHAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)N3CCc4ccccc4C3)C2)c(C)c1 408562292 YSDQCTSQBAJDQI-QFIPXVFZSA-N 426.582 3.597 0 40 IHAB CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(NC(=O)N3CCCCCC3)cc2)cc1 408585548 ZKVRRCYMQJKBIJ-UHFFFAOYSA-N 430.530 3.854 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC3CCCCCC3)C2)cc1Cl 408623746 PQCYMKUCJYSLEN-INIZCTEOSA-N 443.009 3.978 0 40 IHAB CCc1ccc(N(CC(=O)NCCSCc2cccc(Cl)c2)S(C)(=O)=O)cc1 409024909 JALWPULJWUXXOH-UHFFFAOYSA-N 441.018 3.718 0 40 IHAB Cc1nn(CCNC(=O)Cc2ccc(S(=O)(=O)C(C)C)cc2)c(C)c1-c1ccsc1 575616256 YGCCMUWHDWXOPN-UHFFFAOYSA-N 445.610 3.769 0 40 IHAB COCCn1cc2c3c(cccc31)N=C1CN(C(C)=O)C(O)=C1[C@@H]2c1ccc2c(c1)OCO2 1547212324 BZNSNNBWPYALOG-JOCHJYFZSA-N 445.475 3.866 0 40 IHAB COc1cc(OC)cc(C(=O)N2CCC3(CC2)Cc2ccccc2CN(C(C)C)C3=O)c1 1565552605 OWMFBKSMYLZBFV-UHFFFAOYSA-N 436.552 3.920 0 40 IHAB COc1ccc(CN2CC3(CCN(C(=O)c4ccnc(C(F)(F)F)c4)CC3)CC2=O)cc1 1565554672 DHZGQDNYRJJONK-UHFFFAOYSA-N 447.457 3.764 0 40 IHAB O=C(NC[C@H](O)c1cc(-c2ccco2)cs1)C(=O)Nc1ccc(OC(F)(F)F)cc1 1775968987 QZDZEEBDKYLQIL-AWEZNQCLSA-N 440.399 3.695 0 40 IHAB COc1cc(NC(=O)CSc2nnc3c(C)cc4ccc(OC)cc4n23)cc(OC)c1 928453 ATDXDDKWISUAMA-UHFFFAOYSA-N 438.509 3.948 0 40 IHAB CCCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N[C@@H](CCSC)C(=O)O)ccc12 2097272 IGEMCFUXXCCYPI-PBHICJAKSA-N 435.542 3.534 0 40 IHAB biogenic COc1cc(C(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)ccc1OCc1ccccc1 2630087 YWUXQJODQIKHNQ-UHFFFAOYSA-N 449.459 3.841 0 40 IHAB COc1ccc(-c2nnc(SCC(=O)Nc3nc(-c4ccccn4)cs3)o2)cc1 2640128 HBEJZJHPOBAMDB-UHFFFAOYSA-N 425.495 3.995 0 40 IHAB Cc1ccc(NC(=O)CSCc2cc(=O)n3cc(Br)ccc3n2)cc1C 2651795 JTKJMAGABDBGNV-UHFFFAOYSA-N 432.343 3.946 0 40 IHAB Cc1cc(-n2c(C)cc(C(=O)COC(=O)c3ccc(OC[C@H]4CCCO4)cc3)c2C)no1 3439779 SROAIYMGFHSFFD-HXUWFJFHSA-N 438.480 3.988 0 40 IHAB CC(C)N(C(=O)CN1C(=O)N[C@@](C)(c2ccccc2Br)C1=O)c1ccccc1 3594319 SSXKWTSVPRHLOB-NRFANRHFSA-N 444.329 3.658 0 40 IHAB CCCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2N2CCN(CC)CC2)cc1 4711677 PDUNURBDPWABSY-UHFFFAOYSA-N 425.529 3.656 0 40 IHAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3nc(-c4ccncc4)cs3)cc2)C1 8663753 ZJOVOPTWEFSCSN-OAHLLOKOSA-N 442.566 3.878 0 40 IHAB O=C1C[C@H](N2CCCCCC2)C(=O)N1c1ccc(Br)cc1Br 8854658 ZHPGGIULGQUZHD-AWEZNQCLSA-N 430.140 3.720 0 40 IHAB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 9161644 RWFJAVPDHDAJDC-NHCUHLMSSA-N 431.488 3.549 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCSc4ccccc43)CC2)cc1 9255019 UTQYKCPCNXAOEE-FQEVSTJZSA-N 430.595 3.749 0 40 IHAB O=C(CSCc1ccccc1)Nc1nnc(SCC(=O)N2CCCCCC2)s1 9391052 GNFYZVZWKZPFRS-UHFFFAOYSA-N 436.628 3.905 0 40 IHAB O=C(/C=C/c1ccc(S(=O)(=O)N2CCCCCC2)cc1)OCC(=O)c1cccs1 9393910 QSMSEMNELKYCHE-FMIVXFBMSA-N 433.551 3.752 0 40 IHAB COc1cc(OC)c(NC(=O)CCCCCn2nnc3ccccc3c2=O)cc1Cl 9488022 VOOOVNOFRRPZBS-UHFFFAOYSA-N 430.892 3.661 0 40 IHAB O=C(NCCc1csc2nc(-c3ccc(Cl)cc3)nn12)C(=O)Nc1ccccc1F 9569045 NTOSWFHVPHAQKM-UHFFFAOYSA-N 443.891 3.548 0 40 IHAB COc1cc(OC)c(OC)cc1CNC(=O)NCc1ccc(CN2CCCCC2)cc1 9586735 LKKTZTQZOVLQMP-UHFFFAOYSA-N 427.545 3.698 0 40 IHAB O=C(CSc1nnnn1-c1ccccc1)N1c2ccccc2OC[C@H]1c1ccccc1 9791992 AQCISWZZTWSOMV-FQEVSTJZSA-N 429.505 3.921 0 40 IHAB COC(=O)c1c(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2C)sc2c1CCC2 9798009 QHNBPPGHTRFVEW-UHFFFAOYSA-N 446.529 3.689 0 40 IHAB Cc1cc(=O)c(C(=O)Nc2ccc3c(c2)OCCCO3)nn1-c1cccc(C(F)(F)F)c1 9816576 BJKJQEXYNBIMJE-UHFFFAOYSA-N 445.397 3.973 0 40 IHAB C[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2ccc(N3CCCCC3)cc2)C1=O 9985138 GLMDTOMMVIRXNB-HSZRJFAPSA-N 440.931 3.736 0 40 IHAB Oc1nnc(-c2ccc(Cl)cc2Cl)c2c1Nc1nnnn1[C@H]2c1ccc(F)cc1 10298183 VFMLWKZSZHNEQP-INIZCTEOSA-N 430.230 3.976 0 40 IHAB COc1cc(CCC2CCN(Cc3cc(=O)n4c(C)csc4n3)CC2)cc(OC)c1 11413639 UQAMXFBOBIZHFK-UHFFFAOYSA-N 427.570 3.926 0 40 IHAB COc1ccc(CC(=O)N[C@@H](c2ccc(Cl)cc2)c2nccn2C)c(OC)c1OC 12506280 PTPPZKPMVDBZPV-IBGZPJMESA-N 429.904 3.548 0 40 IHAB O=C(CN1CCN(c2ccccc2O)CC1)N1CCC[C@H](c2nc3ccccc3s2)C1 12589909 QZGGEAJIJHPUEH-SFHVURJKSA-N 436.581 3.530 0 40 IHAB CCOc1ccc(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1OC 12746988 PWZXRMIUZZKKFI-UHFFFAOYSA-N 425.481 3.600 0 40 IHAB Cc1nn(CC(=O)Nc2nnc(SCc3ccccc3F)s2)c(=O)c2ccccc12 12791856 ZVHNADURKHVGGU-UHFFFAOYSA-N 441.513 3.627 0 40 IHAB Cc1cc(C)c(NC(=O)CN(C)C(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c(C)c1 12976909 RRXUSMVPSGUBMI-UHFFFAOYSA-N 439.531 3.700 0 40 IHAB O=C(CCCC(=O)N(CC(=O)NC1CCCCC1)c1ccc(F)cc1)Nc1ccccn1 13027733 SUJDVVGZMATZKG-UHFFFAOYSA-N 440.519 3.812 0 40 IHAB CC(=O)NCc1ccc(-c2csc(NC(=O)C[C@@H]3OC(=O)c4ccccc43)n2)s1 13108276 XJPIGGAZAIRPLG-INIZCTEOSA-N 427.507 3.748 0 40 IHAB O=C(OCc1nc(-c2cccs2)no1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 13121489 PDYKWHUNJVUHRX-UHFFFAOYSA-N 447.538 3.720 0 40 IHAB COc1ccc(NS(=O)(=O)c2nnc(NC(=O)C34CC5CC(CC(C5)C3)C4)s2)cc1 13370250 XZNHIVCLSZCNRB-UHFFFAOYSA-N 448.570 3.502 0 40 IHAB Cc1ccc(N(CC(=O)NCc2ccccc2)C(=O)CCC(=O)Nc2cc(C)ccn2)cc1 13503669 BCWWXIKYQQLEQD-UHFFFAOYSA-N 444.535 3.767 0 40 IHAB CCc1ccc2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=S)NCc3ccco3)cc2c1 13554997 RMGDWHKIXIDZQN-HXUWFJFHSA-N 425.554 3.739 0 40 IHAB Cc1ccc(NC(=O)COC(=O)c2ccc(NC(=O)c3ccccc3C(=O)O)cc2)cc1 13579034 WWNBDPMFBFXTMP-UHFFFAOYSA-N 432.432 3.741 0 40 IHAB CCc1ccccc1NC(=O)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 13677197 TVWJDKBFDDYYTD-QHCPKHFHSA-N 436.533 3.985 0 40 IHAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 13990309 WMOPYWVBXJBYFS-UHFFFAOYSA-N 434.533 3.997 0 40 IHAB NC(=O)[C@@H]1CCCCN1CC(=O)N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccccc1 14116738 CGBDDCGPZCYWCG-LOSJGSFVSA-N 440.547 3.857 0 40 IHAB CCOC(=O)c1ccc(N2C(=O)C=C(N3CCC[C@@H](c4ccc(OC)cc4)C3)C2=O)cc1 15080361 CNKMWKKCQFZRFH-LJQANCHMSA-N 434.492 3.509 0 40 IHAB COc1cc2nc(SCc3c(OC)c(OC)c(OC)c4c3C(=O)OC4)[nH]c2cc1OC 15083733 AHUZWRBJMOVWPA-UHFFFAOYSA-N 446.481 3.569 0 40 IHAB COc1ccc(NC(=O)[C@@H](OC(=O)[C@@H]2CCCN2C(=O)c2ccco2)c2ccccc2)cc1 16129370 HJIZMJIHDDASHE-UNMCSNQZSA-N 448.475 3.816 0 40 IHAB C[C@H](NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccc2c(c1)OCCO2 18838647 WMEWXMAHHUZOBE-AWEZNQCLSA-N 444.534 3.811 0 40 IHAB Cc1cc(-c2cnc(NC3CC3)nc2C2CCN(C(=O)c3cc(C4CC4)on3)CC2)on1 19123015 CTHMWNJOPNQPKQ-UHFFFAOYSA-N 434.500 3.900 0 40 IHAB CCNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)c2cccnc2N)C1 19528680 ZFCLZCZRYHGKEK-RUZDIDTESA-N 448.592 3.994 0 40 IHAB CCOC(=O)[C@]1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCCN(C(=O)c2cscn2)C1 19529956 DGGBETGGKZEXII-JTSKRJEESA-N 445.516 3.651 0 40 IHAB CCCN(CC(=O)Nc1ccc(N2CCCC2)cc1)CC(=O)Nc1ccc(F)c(F)c1F 19531987 LKJFFLBVLXNALV-UHFFFAOYSA-N 448.489 3.993 0 40 IHAB CNC(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCCN(C(=O)c2cncc(N)c2)C1 19591169 NHWDOYORDTZOEC-DEOSSOPVSA-N 434.565 3.603 0 40 IHAB CCCCCN(CCCCC)C[C@H](C)NC(=O)c1nn(C)cc1I 19646973 KCWQBHKLRDEIQS-HNNXBMFYSA-N 448.393 3.825 0 40 IHAB Cc1c(CN2CCO[C@@H](c3nc(N(C)C)ncc3-c3cncnc3)C2)oc2ccccc12 19692969 VDZGHWPVZXILOG-JOCHJYFZSA-N 430.512 3.628 0 40 IHAB COc1cccc(CN2CC=CC[C@@H](C3CCN(C(=O)c4cnc(C)nc4C)CC3)C2=O)c1 19698547 GOPALPMABRUDJH-QHCPKHFHSA-N 448.567 3.559 0 40 IHAB CNC(=O)c1sc2ncccc2c1[C@H]1CCN(C(=O)c2ccnc(N3CCCCC3)c2)C1 19702279 UUBMZNDCSMVJNF-KRWDZBQOSA-N 449.580 3.671 0 40 IHAB CC(C)Oc1ccc(N(CC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)cc1 22401656 QKSWGTJYJCKYIQ-FQEVSTJZSA-N 446.569 3.658 0 40 IHAB COc1ccccc1OC[C@H](O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 22802820 YJZFPFOXKGDUEG-XMMPIXPASA-N 432.564 3.842 0 40 IHAB Cc1ccc(C)c(N2CCN(C(=O)CCn3cnc4c([nH]c5ccc(C)cc54)c3=O)CC2)c1 23125627 NXFHXKHJZZLXFW-UHFFFAOYSA-N 443.551 3.542 0 40 IHAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(Cc1cc(=O)n3ccsc3n1)CC2 23866986 FHUMZYYKNHXCOC-QHCPKHFHSA-N 433.533 3.921 0 40 IHAB COc1ccc(NC(=O)CN2c3ccc(F)cc3-c3ccccc3S2(=O)=O)c(OC)c1 24607812 GOKHEAKXWFDIAX-UHFFFAOYSA-N 442.468 3.657 0 40 IHAB CC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc1 25572136 KUDJXJBVYJFIEW-UHFFFAOYSA-N 441.578 3.519 0 40 IHAB O=C(Cn1cnc2ccsc2c1=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 26019249 OGPYQXLQDNARTN-AWEZNQCLSA-N 426.548 3.959 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2)s1 26312746 KCQLDNFBVNXDTG-AWEZNQCLSA-N 434.461 3.747 0 40 IHAB O=c1/c(=C\c2ccc(Cl)c(Cl)c2)sc2nc([C@H]3COc4ccccc4O3)nn12 27020666 FOOSHLSDLOPQAQ-FUXXUDPSSA-N 432.288 3.518 0 40 IHAB COc1ccc(Oc2cc(NC(=O)c3nn(C)c(=O)c4ccccc34)ccc2OC)cc1 27182192 WQIXXGZGKRYLDM-UHFFFAOYSA-N 431.448 3.995 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2cccc(C(C)=O)c2)c(Cl)c1 28208209 FYHONDSXCIKXKE-UHFFFAOYSA-N 438.933 3.591 0 40 IHAB COc1cccc(CSc2nnc(Nc3ccc(C(C)=O)cc3)c(=O)n2-n2cccc2)c1 28535002 RJIDWAGPLXVLJD-UHFFFAOYSA-N 447.520 3.998 0 40 IHAB CN(C)Cc1ccc(-c2ccccc2CNC(=O)[C@H]2CCCN(c3cnccn3)C2)cc1 29787034 RHIVFKADEQWQBM-QHCPKHFHSA-N 429.568 3.738 0 40 IHAB Cc1cc(C)c(NC(=O)CN2CCN(Cc3nc(-c4ccccc4)no3)CC2)c(Cl)c1 30590667 WRMPMQZSELIBIU-UHFFFAOYSA-N 439.947 3.763 0 40 IHAB Cc1nc(SCC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)sc1CC(N)=O 32871382 DGGIFGNIEFEDMX-GOSISDBHSA-N 435.571 3.678 0 40 IHAB O=C(NCc1ccco1)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCC2 35897816 SISLPRPSHIFJOM-OBQMCUGOSA-N 440.521 3.611 0 40 IHAB CN(c1cccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)c1)S(C)(=O)=O 39772486 NHCUIEPGZDSNBH-UHFFFAOYSA-N 435.977 3.587 0 40 IHAB COC(=O)c1ccc(N2CCCC2)c(NC(=O)N(C)Cc2ccc3c(c2)OCCO3)c1 40104474 QZSYXUWHAXMBNI-UHFFFAOYSA-N 425.485 3.509 0 40 IHAB Cc1sc(=O)n(CC(=O)Nc2ccc(C(=O)NC3CC3)cc2)c1-c1ccc(F)cc1 40132238 NBSFPGGNJAKSON-UHFFFAOYSA-N 425.485 3.555 0 40 IHAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cnn2c(-c3ccccc3)ccnc12 40144789 MPJILXFYSXTOHC-UHFFFAOYSA-N 426.524 3.709 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccn2)c2ccc(C)c(Cl)c2)cc1 44802841 LPWSUDYPFSMLJH-UHFFFAOYSA-N 443.956 3.864 0 40 IHAB CC[C@@H](NC(=O)C1CCN(Cc2cccc(C)c2)CC1)c1ccc(S(C)(=O)=O)cc1 44856974 PUQBQIIFOLBSTA-HSZRJFAPSA-N 428.598 3.878 0 40 IHAB CCc1ccc(-c2nn(CC)c(=O)c3c2CCCC3)cc1S(=O)(=O)N1CCC[C@H](C)C1 46027719 KREHPZBKLYJRRH-KRWDZBQOSA-N 443.613 3.792 0 40 IHAB CCOc1ccccc1CNC(=O)c1nnn(-c2ccc(Br)c(C)c2)c1C 51317884 PCLFUXKYXOOTQD-UHFFFAOYSA-N 429.318 3.975 0 40 IHAB CCOC(=O)c1ccn(-c2cccc(NC(=O)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)n1 58086686 CWHHAYSUUPTBDL-MRXNPFEDSA-N 442.516 3.635 0 40 IHAB Cc1cc(C)c(NC(=O)Cn2c(=O)cnc3cc(C(=O)NC4CCCC4)ccc32)c(C)c1 62007118 ODWOELWMRQJGHE-UHFFFAOYSA-N 432.524 3.633 0 40 IHAB CCC(CC)C(=O)N1CCC(NC(=O)Nc2cccc(NC(=O)c3cccnc3)c2)CC1 65474784 ICKKNCUCENDAQA-UHFFFAOYSA-N 437.544 3.883 0 40 IHAB Cc1nc(C)c2c(C)c(C(=O)N3CCC(NC(=O)NC4CCCCC4)CC3)sc2n1 65594241 PPAOKHCMWYCANY-UHFFFAOYSA-N 429.590 3.853 0 40 IHAB O=C(NCCOC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1)c1cccnc1 72310650 KMPLCVJZFBKXMP-UHFFFAOYSA-N 433.251 3.558 0 40 IHAB Cc1cc(-c2cnc(N3CCCCC3)nc2C2CCN(C(=O)c3cncc(O)c3)CC2)on1 72335873 JFATUASAZQJQKM-UHFFFAOYSA-N 448.527 3.551 0 40 IHAB O=C(N[C@H]1CCc2ccc(S(=O)(=O)N(Cc3ccccn3)C3CC3)cc21)c1ccccc1 72345848 WRGOLCPKBPFRBD-DEOSSOPVSA-N 447.560 3.852 0 40 IHAB CNc1cc(Nc2nccc([C@H]3CCCN(Cc4ccc5ncccc5c4)C3)n2)ncn1 72377991 DUZJLENHACXCGT-IBGZPJMESA-N 426.528 3.980 0 40 IHAB COC(=O)C1(NS(=O)(=O)c2ccc(-c3ccc(Br)cc3)cc2)CCCC1 73633207 NGRULGZZJVCEMK-UHFFFAOYSA-N 438.343 3.880 0 40 IHAB COc1ccccc1Cn1c(=O)[nH]c2cc(-c3nc(-c4cccc(C)c4)no3)ccc2c1=O 85601898 UGCDXMSNKIGCBX-UHFFFAOYSA-N 440.459 3.772 0 40 IHAB CC(C)[C@H]1N=C(O)c2ccccc2N(CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1=O 95480688 DKSDFBBFOZZDIY-GOSISDBHSA-N 435.402 3.900 0 40 IHAB Cc1ccc(Cl)cc1S(=O)(=O)N1[C@H]2CC[C@@H]1CC(S(=O)(=O)c1ccccc1)C2 96099598 VYRRBIDODFDMHZ-JJTKIYQPSA-N 439.986 3.806 0 40 IHAB Cc1cccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1C 102086910 YHXASPCDONLQAN-OMIGAHOISA-N 440.543 3.906 0 40 IHAB CCOC(=O)[C@@H](C(=O)CSc1nnc2c(Cl)cc(Cl)cn12)c1nc(C)cs1 103034780 GPKYJLXIGJXWTR-LBPRGKRZSA-N 445.353 3.809 0 40 IHAB COc1cccc(N([C@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)S(C)(=O)=O)c1 220184978 BAPNNMOPKCQQNJ-OXQOHEQNSA-N 446.569 3.577 0 40 IHAB C[C@H](C(=O)NCCCc1ccccc1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 220256420 SDMTYMOKYLQSGJ-CQSZACIVSA-N 429.369 3.897 0 40 IHAB CC[C@@H](C(=O)Nc1ccccc1Br)N(c1cccc(OC)c1)S(C)(=O)=O 220613110 WFLHBTRZOBYYFY-KRWDZBQOSA-N 441.347 3.641 0 40 IHAB CC[C@@H](C(=O)n1cc(C(=O)OC)c2ccccc21)N(c1ccc(C)cc1)S(C)(=O)=O 222612710 HHKJBMCNTMPEAT-IBGZPJMESA-N 428.510 3.621 0 40 IHAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(Cc4noc(C(C)C)n4)cc3)ccc21 223033794 JZNBOYGGSRXRHV-UHFFFAOYSA-N 442.497 3.512 0 40 IHAB C[C@@H](CC(C)(C)c1ccccc1)NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 223367139 CYXRNIOSXGFPJS-HNNXBMFYSA-N 444.582 3.825 0 40 IHAB COc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3F)c2)cc1 224162625 GLVQRRCADYINPR-UHFFFAOYSA-N 442.512 3.932 0 40 IHAB COc1ccc(S(=O)(=O)N(C)c2cc(C(=O)N[C@@H]3C[C@@H]4CC[C@@H]3C4)ccc2C)cc1 224323986 CLCMBLYCEBGXIV-CBGDNZLLSA-N 428.554 3.747 0 40 IHAB CCN(c1ccc(C(=O)NCCCN2CCC[C@@H](C)C2)cc1)S(=O)(=O)c1ccccc1 224366313 UKGDHCBPYURRCN-HXUWFJFHSA-N 443.613 3.754 0 40 IHAB CC(C)c1ccc(OCCc2cc([C@H]3CN(C(=O)c4n[nH]c5c4CCC5)CCO3)n[nH]2)cc1 257241090 HWOHEDVMPJUSAR-HSZRJFAPSA-N 449.555 3.580 0 40 IHAB COc1ccc(CN2CCO[C@]3(CN(Cc4cccs4)C[C@H]3c3cccnc3)C2=O)cc1 306141389 VUEBYPPTLUMWSP-ZCYQVOJMSA-N 449.576 3.549 0 40 IHAB CCCCNC(=O)c1ccccc1NC(=O)[C@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 408545896 BFHRTTVVVBRIKD-SFHVURJKSA-N 445.585 3.627 0 40 IHAB COc1cc(NC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)c(OC)cc1Cl 408613757 XXFHHKGULORHBM-LLVKDONJSA-N 447.340 3.804 0 40 IHAB Cc1ccc([C@H]2[C@H](NC(=O)c3ccc(Cl)cc3)C(=O)N/[N+]2=C\c2ccc(F)cc2)cc1 409060242 ZZHPLGYBJQNRIN-GWLUTCJNSA-O 436.894 3.804 0 40 IHAB O=C(CN1C(=O)S/C(=C/c2ccccc2Cl)C1=O)Nc1ccc2c(c1)OCCO2 409198414 FYXPVWJSWOBNLD-RQZCQDPDSA-N 430.869 3.786 0 40 IHAB CCOc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCC(N)=O 409199152 BPYOTMQKFNBSAN-RQZCQDPDSA-N 432.885 3.844 0 40 IHAB CC(C)OCCCNC(=O)CCc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1 409246347 BITMTRUQMXMJON-LJQANCHMSA-N 432.586 3.590 0 40 IHAB O=C(CN1C(=O)S/C(=C\c2coc3ccccc3c2=O)C1=O)Nc1ccc(F)cc1F 409383554 ZWMFTVCACNDGFT-IDUWFGFVSA-N 442.399 3.746 0 40 IHAB CCOc1ccc(C2(CNC(=O)c3cc(F)ccc3N3CCOCC3)CCOCC2)cc1 519349996 XQNJWVDCPRMCNI-UHFFFAOYSA-N 442.531 3.539 0 40 IHAB CCc1nc2ccccc2n1CC(=O)N1C[C@@H](c2ccccc2)[C@@]2(CCCCC(=O)N2)C1 585261707 YQCBMAAWULKVCQ-RXFWQSSRSA-N 430.552 3.654 0 40 IHAB Cc1ccc(CCNC(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)cn1 600458475 GDYMRJUIZUQGSK-UHFFFAOYSA-N 428.286 3.970 0 40 IHAB Cn1ncc(C(=O)NC[C@@H]2CCCCCN2C(=O)OC(C)(C)C)c1Cc1ccccc1 1558711066 MIYIHKDHZFGETP-IBGZPJMESA-N 426.561 3.920 0 40 IHAB CCCc1cc(C(=O)N2CCC[C@]3(C[C@H](OCC)CN(Cc4ccccc4)C3=O)C2)on1 2037873398 GZOYNJJKDFFCCN-OFVILXPXSA-N 439.556 3.687 0 40 IHAB CCOC(=O)c1c(N[C@H](NC(=O)CF)C(Cl)(Cl)Cl)sc2c1CCCC2 675991 GESPVUMLQRJYPK-AWEZNQCLSA-N 431.744 3.998 0 40 IHAB CCOc1ccc(NC(=S)N(CCO)Cc2cc3cc(OCC)ccc3[nH]c2=O)cc1 879358 LTEXJOQXLFVXMJ-UHFFFAOYSA-N 441.553 3.517 0 40 IHAB COc1ccc(-c2cc(C(F)(F)F)nc(SCCC(=O)NC[C@@H]3CCCO3)n2)cc1 920476 GBSXCAWSVKRSRS-HNNXBMFYSA-N 441.475 3.948 0 40 IHAB CC[C@@H](C)N1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2ccc(OC)cc2OC)C1=O 2156788 LCDZIVQXIKMJTE-WJGUHTKASA-N 447.535 3.669 0 40 IHAB biogenic COC(=O)[C@](NC(=O)Nc1nc2ccccc2s1)(Oc1ccccc1)C(F)(F)F 2262218 LAQMMBVEQNCROF-KRWDZBQOSA-N 425.388 3.928 0 40 IHAB NC(=O)c1c(N[C@@H](NC(=O)c2ccccc2)C(=O)c2cccs2)sc2c1CCCC2 2703740 LYYTXJGRHDWGIG-HXUWFJFHSA-N 439.562 3.838 0 40 IHAB Cc1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)ccc1Br 3611615 KQBXWKAQLDAUQK-UHFFFAOYSA-N 431.739 3.670 0 40 IHAB COc1cc(CN(C(=O)COc2ccc(F)cc2)c2ccccn2)cc(OC)c1OC 8586683 YEXRNFDGJQGAHV-UHFFFAOYSA-N 426.444 3.859 0 40 IHAB COc1ccc(CCNC(=O)COC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)cc1 8725460 WDXDDUDAKFTWJN-UHFFFAOYSA-N 443.503 3.858 0 40 IHAB Cc1cc(C)c2c(n1)sc1c(=O)n(CC(=O)OCC(=O)c3ccc4c(c3)CCC4)cnc12 8780334 BAMKAEOASYOLKP-UHFFFAOYSA-N 447.516 3.538 0 40 IHAB O=C(COc1ccccc1)NCCN1C(=O)S/C(=C\c2ccc(OC(F)F)cc2)C1=O 9545517 WTTGMLFWUHVVER-ATVHPVEESA-N 448.447 3.520 0 40 IHAB Cc1ccc(-c2nc3scc(CCNC(=O)/C=C/c4ccc5c(c4)OCO5)n3n2)cc1 9568952 ADSFVQKIZORYEN-WEVVVXLNSA-N 432.505 3.867 0 40 IHAB Cc1nc(SCC(=O)Nc2oc(C)c3c(C)n[nH]c(=O)c23)c2c(C)c(C)sc2n1 9578280 AQOQUQZBIHGGKN-UHFFFAOYSA-N 429.527 3.794 0 40 IHAB O=C(CSc1nnc(NCCc2ccccc2)s1)c1c[nH]c(C(=O)N2CCCC2)c1 9592564 NMBYRKQHCGXJIY-UHFFFAOYSA-N 441.582 3.732 0 40 IHAB COc1cccc(N(CC(=O)Nc2ccccc2Oc2ccccc2)S(C)(=O)=O)c1 9667949 DNZZTBQPSVGAMU-UHFFFAOYSA-N 426.494 3.892 0 40 IHAB O=C(CSc1ccc2ccccc2n1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 9729750 WFVODDFZAZULSS-UHFFFAOYSA-N 427.551 3.750 0 40 IHAB O=C(C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)N1CCC[C@@H]1c1ccccc1 9957540 DIJUDEAMDASESJ-HXUWFJFHSA-N 434.508 3.729 0 40 IHAB Cc1ccccc1-c1nnc(SCC(=O)N[C@H](c2ccccc2)c2nccn2C)n1C 10188714 GVTHNPXKRZFTQU-HXUWFJFHSA-N 432.553 3.522 0 40 IHAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)Cc2ccc(Br)cc2)CC1 10216568 VGNJEIUSMQFKSI-UHFFFAOYSA-N 445.313 3.598 0 40 IHAB CC(C)NC(=O)c1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 10370825 NLHJETYJIIQYRI-UHFFFAOYSA-N 437.521 3.878 0 40 IHAB COc1ccc(OC)c(NC(=O)COC(=O)c2sc(NC(=O)C(C)(C)C)cc2C)c1 10836867 PJFUUBMTDCTWSJ-UHFFFAOYSA-N 434.514 3.854 0 40 IHAB C[C@@H]1CCc2c(sc3nc(CN4CCOCC4)nc(N(C)CCc4ccccn4)c23)C1 12544149 JRPRBCVIKNBHIY-QGZVFWFLSA-N 437.613 3.722 0 40 IHAB O=C(COc1ccc(Nc2ccccc2)cc1)Nc1cccc(S(=O)(=O)NC2CC2)c1 12691234 BRQOPGNYZOMDAY-UHFFFAOYSA-N 437.521 3.888 0 40 IHAB CC(=O)Nc1sc(C)c(C)c1C(=O)O[C@H]1CCCCN(C(=O)c2ccc(F)cc2)C1=O 12743931 KSMZFNDADBYBBG-KRWDZBQOSA-N 446.500 3.841 0 40 IHAB CC(=O)c1cccc(NC(=O)[C@@H](Sc2nnnn2C[C@@H]2CCCO2)c2ccccc2)c1 12751128 RARQPVVAFYQHTC-PMACEKPBSA-N 437.525 3.527 0 40 IHAB C[C@H](OC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1Cl)C(N)=O 12757796 KJQRBLILRSPUEB-AWEZNQCLSA-N 434.883 3.831 0 40 IHAB CCN(CC)C(=O)CSc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CC[C@@H](C)C3 12906398 WRSWIVSNKNJFMW-CABCVRRESA-N 449.642 3.722 0 40 IHAB Cc1cc(Br)ccc1NC(=O)CN(C)[C@@H](C)C(=O)N1CCc2ccccc2C1 12910295 LRTJKSRCSUUEIN-INIZCTEOSA-N 444.373 3.601 0 40 IHAB O=C(O)[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 12926803 SDWGBSQMFXTECB-QZTJIDSGSA-N 434.901 3.746 0 40 IHAB CN(C(=O)CSc1nnnn1-c1ccc(O)cc1)C(c1ccccc1)c1ccccc1 12998275 XBIXGNCJAURVPN-UHFFFAOYSA-N 431.521 3.708 0 40 IHAB Cc1ccc(NC(=O)COC(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)cc1C 13016792 JFYMKMBUZFCCRS-UHFFFAOYSA-N 446.290 3.952 0 40 IHAB O=C(COc1ccc2ccccc2c1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1 13057246 YRKBJSINYIEKGQ-NRFANRHFSA-N 443.503 3.663 0 40 IHAB CCCCN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC1CCCCC1)c1ccncc1 13497120 UXNBFPHFGQXSOD-DEOSSOPVSA-N 448.571 3.645 0 40 IHAB O=C1C[C@@H](c2ccc3c(c2)OCO3)c2c(nc(SCc3ccc(Cl)cc3)[nH]c2=O)N1 13567423 JQAVYYOHTIWXRQ-AWEZNQCLSA-N 441.896 3.918 0 40 IHAB CCCNC(=O)c1ccccc1NC(=O)[C@H](CC)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13686613 AUKKSXDNYFTIPQ-NRFANRHFSA-N 445.585 3.627 0 40 IHAB O=C(COc1ccccc1)Nc1nnc([C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)s1 13944416 BQCRAUURHKZNSU-ZDUSSCGKSA-N 428.901 3.730 0 40 IHAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1n[nH]c(=O)c3ccccc13)CC2 14246435 LPGMMQJWDUAZPH-JOCHJYFZSA-N 447.516 3.790 0 40 IHAB Cc1ccccc1C(=O)Oc1coc(CSc2nnc(NC(=O)C3CC3)s2)cc1=O 16047809 NXLSSUCYBQSWRS-UHFFFAOYSA-N 443.506 3.660 0 40 IHAB Nc1nc(COC(=O)c2ccc(COc3ccccc3)o2)nc(Nc2ccc(F)cc2)n1 16670061 BKGWHRCFHWPPAZ-UHFFFAOYSA-N 435.415 3.866 0 40 IHAB COc1ccc(-c2nc(C)c(CCNC(=O)C(=O)Nc3cccc(C)c3)s2)cc1OC 17123142 VGPZQMQOECEGRQ-UHFFFAOYSA-N 439.537 3.742 0 40 IHAB COC(=O)C1=C(N)N2C/C(=C\c3cccs3)SC2=C(C(=O)OC)[C@@H]1c1cccs1 17129893 UGWXKNXNXALUQV-BRADTZPFSA-N 446.575 3.725 0 40 IHAB CNC(=O)[C@]1(Cc2ccccc2-c2cccc(C)c2)CCN(C(=O)Cc2cccnc2)C1 19235491 LVXFVTLSBSQAFC-MHZLTWQESA-N 427.548 3.807 0 40 IHAB CNc1cc([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc(CN(C)Cc2ccc(F)cc2)n1 19697380 PSRUQEXDDMZLDG-HXUWFJFHSA-N 433.531 3.806 0 40 IHAB COCC(=O)N1CCC[C@@](O)(c2nc(C)c(CCOc3ccc(Cl)cc3)s2)CC1 19738693 OIHCBQJTYWMART-NRFANRHFSA-N 438.977 3.573 0 40 IHAB CS(=O)(=O)N(CC(=O)N[C@@H]1CCCc2ccccc21)c1ccc(Cl)c(Cl)c1 20456888 UJDLIOLYXUVGFZ-GOSISDBHSA-N 427.353 3.953 0 40 IHAB O=C(Nc1cccc(OCc2cc(=O)n3nc(C4CC4)sc3n2)c1)c1ccc(F)cc1 20859354 XENBDPUODPZKHB-UHFFFAOYSA-N 436.468 3.999 0 40 IHAB COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2cc3ccccc3cc2OC)c1 21595275 VSRAJWCTWQNPOM-UHFFFAOYSA-N 433.508 3.639 0 40 IHAB C[C@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 21601462 ZZWIRAGXCCRAEU-NSHDSACASA-N 438.962 3.586 0 40 IHAB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2C)cc1 22271302 AIVFVMIAFVSZOD-QHCPKHFHSA-N 438.549 3.922 0 40 IHAB COc1cc(NC(=S)NC(=O)c2ccccc2F)ccc1N1C(=O)c2ccccc2C1=O 22527943 JFAKBOQLTPLYDQ-UHFFFAOYSA-N 449.463 3.762 0 40 IHAB CCOc1ccccc1-c1noc(CN2CCN(CC(=O)Nc3cccc(C)c3C)CC2)n1 22929823 GRVPBXVXNRIUGN-UHFFFAOYSA-N 449.555 3.508 0 40 IHAB CCN(CC(=O)Nc1ccc2c(c1)OCCCO2)Cc1nc(O)c2ccc(Cl)cc2n1 23819075 AUPJCTVADDBBIV-UHFFFAOYSA-N 442.903 3.611 0 40 IHAB O=C(CN1C(=O)NC2(CCCCCC2)C1=O)N[C@H](c1ccc(F)cc1)c1cccs1 23846024 DTAXOKGCQQDBGA-LJQANCHMSA-N 429.517 3.738 0 40 IHAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(Cc1cc(=O)n3ccsc3n1)CC2 23866988 FHUMZYYKNHXCOC-HSZRJFAPSA-N 433.533 3.921 0 40 IHAB C[C@H](Sc1nnc(NCc2ccco2)s1)C(=O)N1CCN(Cc2ccccc2)CC1 23881812 SRYSANAOYFZDSA-INIZCTEOSA-N 443.598 3.568 0 40 IHAB COc1ccc(/C=C/C(=O)N2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)cc1 24335734 LLNARFPNEKYXSR-NYYWCZLTSA-N 438.915 3.756 0 40 IHAB C[C@H]1CN(CCCNC(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)C[C@H](C)O1 29981462 WGAWOMNNSSMRSY-SFTDATJTSA-N 432.568 3.828 0 40 IHAB COc1ccc(CNC(=O)c2nc(-c3ccc(Cn4nc(C)cc4C)cc3)no2)cc1OC 32096179 QEQDGBLUGOCFCD-UHFFFAOYSA-N 447.495 3.545 0 40 IHAB O=C([C@H]1CC(=O)N(c2ccccc2F)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 32891177 KWQGSTRQSBSYJP-HNNXBMFYSA-N 435.421 3.546 0 40 IHAB COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1ccc(OC(F)F)cc1 32967190 CSVODPAWXGOVGB-KRWDZBQOSA-N 435.423 3.608 0 40 IHAB CC(C)CN(C(=O)c1ccc(C(C)(C)C)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 32985927 SYEQLTCAKXTJQJ-UHFFFAOYSA-N 448.567 3.767 0 40 IHAB CCOc1nc2ccccc2nc1N1CCC(C(=O)Nc2ccc(NC(C)=O)cc2)CC1 33088327 MPHIWYLNPYODQX-UHFFFAOYSA-N 433.512 3.842 0 40 IHAB O=C(CC[C@H]1N=C(O)N(Cc2ccccc2)C1=O)NCCc1ccc(Cl)cc1Cl 36595000 ODPUEKXGAOWSMJ-GOSISDBHSA-N 434.323 3.757 0 40 IHAB CCOc1cc([C@H]2CC(=O)N=C3NC=NN32)cc(Br)c1OCc1ccccc1 38311456 UNUULRNGJNMLBN-MRXNPFEDSA-N 443.301 3.603 0 40 IHAB Cc1ccc2c(c1)C(=O)N(CCCC(=O)NCc1ccnc(Oc3ccccc3)c1)C2=O 40110654 QJSULVKZLDYHRU-UHFFFAOYSA-N 429.476 3.875 0 40 IHAB COc1ccc(-c2c(-c3cc(OC)c(OC)c(OC)c3)noc2N(C(C)=O)C(C)=O)cc1 45364734 RGVZNYHKESGKFA-UHFFFAOYSA-N 440.452 3.942 0 40 IHAB Cc1cc(C)cc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc(C)c(F)c3)c2=O)c1 57492208 YTZRXHPCQREJBG-UHFFFAOYSA-N 437.496 3.917 0 40 IHAB Cc1cccc(C)c1OC[C@@H](O)CNC(=O)c1cccnc1SCc1c(C)noc1C 58028736 MLOLKDGECDKPSR-SFHVURJKSA-N 441.553 3.765 0 40 IHAB O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)[C@@H]1CC(=O)N(C2CCCC2)C1 58159582 NTHLFCUCBZHDBA-JOCHJYFZSA-N 446.595 3.738 0 40 IHAB O=C(Nc1ccc(F)cc1)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 58201500 SGHXBKXXXQTZND-OAQYLSRUSA-N 428.460 3.719 0 40 IHAB CN(Cc1ccccc1)c1nc2ncn(CC(=O)Nc3cccc(Cl)c3)c(=O)c2s1 67225723 CNLUQVSURXDAHS-UHFFFAOYSA-N 439.928 3.782 0 40 IHAB Cc1nc(-c2cccc(Cl)c2)n(CC(=O)Nc2ccccc2Cl)c(=O)c1CCO 67301523 KJKRLIUNOXHORS-UHFFFAOYSA-N 432.307 3.699 0 40 IHAB O=S(=O)(NC[C@@H](O)c1ccc(C(F)(F)F)cc1)c1ccc(Br)s1 70640160 SQMJUQJVDMEDGD-SNVBAGLBSA-N 430.267 3.541 0 40 IHAB COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCc2ccccc2OC)C12CCCC2 70666373 GUPNURLRRCQHIF-QHCPKHFHSA-N 436.552 3.553 0 40 IHAB biogenic CC(C)c1noc(CCC(=O)N[C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)n1 71851684 VWFRPBMBWWMGQV-MRXNPFEDSA-N 438.450 3.624 0 40 IHAB CC(C)(C)c1ccc(C(=O)N2[C@H](C(=O)O)COC23CCN(Cc2ccccc2)CC3)cc1 71980618 QWBUUFVGHVPCJX-QFIPXVFZSA-N 436.552 3.902 0 40 IHAB O=C(NC[C@@H](CO)Cc1cc(F)ccc1F)c1cc(-c2ccco2)nn1-c1ccccc1 72303113 SIHQEWZETPVNNQ-INIZCTEOSA-N 437.446 3.992 0 40 IHAB CCN1CC[C@]2(CCC1=O)C[C@@H](NC(=O)c1ccc3c(c1)nc(C)n3C)c1ccccc1O2 72327854 AWGDJTGKRPJDBV-QFQXNSOFSA-N 446.551 3.907 0 40 IHAB CC[C@H](NC(=O)CCc1c(C)c2ccc(OC)cc2oc1=O)[C@H](O)c1ccccc1F 78994769 YVSBCHPIIDHMSB-NZQKXSOJSA-N 427.472 3.810 0 40 IHAB CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N1c2ccccc2C[C@H]1C(=O)OC(C)(C)C 84752659 WPUYRKJZHUKYEA-GOTSBHOMSA-N 434.536 3.822 0 40 IHAB Cc1ccc(NC(=O)NC[C@@H]2CCO[C@H](C)C2)cc1NC(=O)NC[C@@H]1CCO[C@H](C)C1 95457628 AKEPYGOPRGTWSJ-NCXUSEDFSA-N 432.565 3.868 0 40 IHAB CCCCOc1ccc(N2C(=O)[C@H]3ON=C(c4ccc(Br)cc4)[C@H]3C2=O)cc1 100872747 JMUHLGHJSMADLW-MJGOQNOKSA-N 443.297 3.921 0 40 IHAB CC(=O)N[C@H]1CCN(C(=O)[C@@H](OC(C)=O)c2ccccc2)[C@H](Cc2ccc(Cl)cc2)C1 101255319 ZKNOZMLEELSSCI-ZRBLBEILSA-N 442.943 3.683 0 40 IHAB CSCC[C@@H](C(=O)OCc1nc2ccccc2s1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 101404528 IYFQDVNDMFWUTK-LZWOXQAQSA-N 432.567 3.636 0 40 IHAB CC[C@@H](NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1Cl)c1ccc(OC)c(OC)c1 222524731 IDVXUPPLDYMCGO-QGZVFWFLSA-N 440.949 3.634 0 40 IHAB COc1ccc(N(CCCC(=O)NCCCc2ccc(Cl)cc2)S(C)(=O)=O)cc1 222605046 OZTFASQMFLHNLP-UHFFFAOYSA-N 438.977 3.644 0 40 IHAB C[C@H](C(=O)NCc1cccnc1)N(Cc1ccccc1)C(=O)COc1ccccc1Cl 222726550 XQNBISAMOUNBOE-GOSISDBHSA-N 437.927 3.848 0 40 IHAB CCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(Br)cc3F)ccc21 223086997 OYGNIJSTCMDMRO-UHFFFAOYSA-N 427.295 3.688 0 40 IHAB COc1ccc(F)cc1S(=O)(=O)Nc1ccccc1C(=O)NCCc1ccccc1 223690506 KOLOEBIMDRONFZ-UHFFFAOYSA-N 428.485 3.608 0 40 IHAB CCN(Cc1ccc(C(=O)N(C)Cc2ccco2)cc1)S(=O)(=O)c1ccc(OC)cc1 224520905 WFFUABNKIRSDTK-UHFFFAOYSA-N 442.537 3.771 0 40 IHAB COCCn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(OC)cc1OC 224801435 RCMYOCLPQUHTHC-VXKWHMMOSA-N 438.553 3.724 0 40 IHAB C[C@@H](CNS(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1)c1ccccc1 225138599 GEGUTAMCNVWPLJ-LBPRGKRZSA-N 436.946 3.526 0 40 IHAB CC(C)Oc1ccc(CCCNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 225569751 BOPKGVRTPAAVLY-UHFFFAOYSA-N 430.570 3.621 0 40 IHAB CC(C)S(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](Oc3ccc4ccccc4n3)C2)cc1 225738805 BVPLPJMAUAFPHI-HXUWFJFHSA-N 438.549 3.639 0 40 IHAB NC(=O)C[C@H]1CN(C(=O)Cc2c(F)cccc2Cl)CC[C@@H]1Oc1ccc(Cl)cc1 257204061 ASXAONBOHGCFCI-DJJJIMSYSA-N 439.314 3.847 0 40 IHAB CCc1nc(O)c(C(=O)N2CCN(C)C(=O)[C@H]2Cc2cccc(-c3ccccc3)c2)cc1C 257326704 WYFWVJRTEMLHPG-XMMPIXPASA-N 443.547 3.851 0 40 IHAB COc1ccc(Nc2cc(C)nc([C@H]3CCN(S(=O)(=O)c4c(C)noc4C)C3)c2)cc1 257344573 ZXWHDCYJWCRJDS-KRWDZBQOSA-N 442.541 3.925 0 40 IHAB Cc1ccc(N([C@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)S(C)(=O)=O)cc1 260453254 HHRLHPZRYFPMJQ-XLIONFOSSA-N 430.570 3.877 0 40 IHAB COc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4ccccc4c3)C2)cc1 408558262 QAJBXZNNCAJQMF-OAQYLSRUSA-N 438.549 3.566 0 40 IHAB COC(=O)c1ccc(NC(=O)CSc2nnc(COc3ccc(C)cc3C)n2C)cc1 408596597 SJNYBSULBVFAPW-UHFFFAOYSA-N 440.525 3.528 0 40 IHAB CS(=O)(=O)N(CC(=O)NCCSCc1ccccc1)c1cccc(Cl)c1Cl 408925878 RMZWSCWSFVGKEC-UHFFFAOYSA-N 447.409 3.809 0 40 IHAB Cc1ccc([C@H]2[C@H](NC(=O)c3cccc(C)c3)C(=O)N/[N+]2=C\c2ccccc2Cl)cc1 409060101 SQWKUKAMHHIBBR-WAUWHALJSA-O 432.931 3.973 0 40 IHAB NC(=O)COc1ccc(/C=C2\SC(=O)N(Cc3cccc(Br)c3)C2=O)cc1 409200549 IDMKZFLHBOLXKR-SXGWCWSVSA-N 447.310 3.550 0 40 IHAB CCCN1C(=O)S/C(=C/c2ccc(OCC(=O)OCC)c(Br)c2)C1=O 409231928 GDXKBHGALBISLP-NTEUORMPSA-N 428.304 3.837 0 40 IHAB CCCNC(=O)c1ccccc1NC(=O)c1ccccc1NS(=O)(=O)c1ccccc1 409409917 JZCIIWSKSIAZQU-UHFFFAOYSA-N 437.521 3.880 0 40 IHAB Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1C(=O)Cc1ccc2c(c1)CCO2 501154089 VMFDKMVROSKHRR-HSZRJFAPSA-N 431.536 3.626 0 40 IHAB CCN(CCCN1CCCC1)C(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1C 508192725 FXAHYOJIDJYOJS-UHFFFAOYSA-N 447.576 3.883 0 40 IHAB O=C(CN1C[C@@H](c2ccccc2)[C@@]2(CCCC(=O)N2)C1)Nc1ccccc1C(F)(F)F 585262120 WRPURBYUWAKHEM-PGRDOPGGSA-N 431.458 3.782 0 40 IHAB Cc1cccnc1C(=O)N1CCC[C@@]2(CCCCc3ccccc3OCCN(C)C2=O)C1 643561334 FXFCPBMJUUUKIP-SANMLTNESA-N 435.568 3.876 0 40 IHAB C[C@H]1COc2ccccc2C(=O)NCCCCCC2(CCN(C3CCC3)CC2)C(=O)N1 643581355 NBIOPUUBJSMOTD-IBGZPJMESA-N 427.589 3.509 0 40 IHAB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N[C@]1(C(=O)O)CCc2ccccc21 675990417 IHRFWURKGHMRKF-BKMJKUGQSA-N 428.488 3.590 0 40 IHAB O=C(N[C@H]1C[C@@H]1c1cccnc1)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1 684824590 IRGDMAOMYNJLES-YADHBBJMSA-N 433.533 3.509 0 40 IHAB Cn1c(Cn2cnc3ccccc32)nnc1SCC(=O)Nc1cccc(C(F)(F)F)c1 891461 KTPNDFBYQPVNJT-UHFFFAOYSA-N 446.458 3.963 0 40 IHAB COC(=O)c1ccccc1NC(=O)CSc1nnc(CNc2cccc(Cl)c2)n1C 917311 QQJKIVUIJJGHDF-UHFFFAOYSA-N 445.932 3.598 0 40 IHAB O=C(COC(=O)CCN1C(=O)c2ccccc2C1=O)Nc1ccc(Oc2ccccc2)cc1 1973308 IRJHYDFREQDVJQ-UHFFFAOYSA-N 444.443 3.647 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)N(C(=O)c2ccncc2)c2ccc3oc(=O)sc3c2)c1 2493459 UKZKFKYEXRHALO-UHFFFAOYSA-N 440.502 3.902 0 40 IHAB CCN(C(=O)COC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccccc1 3346585 TZOUXIGSQKZTBS-UHFFFAOYSA-N 444.534 3.759 0 40 IHAB O=C(COC(=O)/C=C/c1cnc2ccccc2n1)Nc1ccc(Br)cc1F 2630072 IJLTZLQAVXYFLZ-SOFGYWHQSA-N 430.233 3.727 0 40 IHAB COc1ccc(N(CC(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)S(=O)(=O)c2ccccc2)cc1Cl 100332235 CBSNBPLOBXMTNW-JXXFODFXSA-N 448.972 3.849 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl 11999237 UTGHPJFWEYLVHA-UHFFFAOYSA-N 436.917 3.699 0 40 IHAB Cc1cc(O)c(C(c2ccc(Cl)c(Cl)c2)c2c(O)cc(C)n(C)c2=O)c(=O)n1C 10217707 GJULHEOIOZJKBG-UHFFFAOYSA-N 435.307 3.599 0 40 IHAB COc1ccccc1CNC(=O)c1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1 10327773 ZFJJWJAGUXJTGI-UHFFFAOYSA-N 442.512 3.731 0 40 IHAB O=C(CSc1nnc(CN2CCCC2)n1-c1ccccc1)NCc1ccccc1Cl 8721369 LCHKHLIEPRSGHU-UHFFFAOYSA-N 441.988 3.925 0 40 IHAB CC(C)n1ncc2c(C(=O)N(C)Cc3ccccc3N3CCOCC3)cc(C3CC3)nc21 8727924 OFGYVOCISOQUKL-UHFFFAOYSA-N 433.556 3.998 0 40 IHAB O=C(N[C@@H]1C[C@@H]2CC[C@@H]1C2)[C@@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 100090554 QADUAXCNBGLLNQ-DEXNDLTESA-N 445.412 3.840 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccn2)c2ccc(Cl)cc2)cc1 656204 IXWIBKYQBASPJZ-UHFFFAOYSA-N 429.929 3.555 0 40 IHAB Cc1sc2nc(CN3CCOCC3)nc(Sc3nnnn3C3CCCCC3)c2c1C 22201114 MWHGRKRCPIMGJS-UHFFFAOYSA-N 445.618 3.783 0 40 IHAB Cc1cccc(-c2nnc([C@@H](C)N3CCN(CC(=O)Nc4cccc(C)c4C)CC3)o2)c1 22934058 SELOPKHSURWJQI-HXUWFJFHSA-N 433.556 3.979 0 40 IHAB O=C(Nc1ccc(F)c(F)c1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 23131366 WCTARWWWLSJQJS-UHFFFAOYSA-N 434.508 3.883 0 40 IHAB CCOc1ccccc1N(CCCC(=O)NCc1ccc(OC(C)C)cc1)S(C)(=O)=O 113962490 QSDKEJXEGKGARJ-UHFFFAOYSA-N 448.585 3.735 0 40 IHAB Cc1ccc(CNC(=O)CCCN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 113961632 JSPLHABDEQUBJV-UHFFFAOYSA-N 428.476 3.876 0 40 IHAB C[C@H]1C(=O)Nc2ccc(-c3csc(-c4cccc(NC(=O)CN5CCOCC5)c4)n3)cc21 24573324 NSCYQHSMDAEQFD-OAHLLOKOSA-N 448.548 3.803 0 40 IHAB Cc1ccc(OCc2nc(C(=O)N3C[C@H](C(=O)N(C)C)Oc4ccccc43)cs2)cc1 26870031 JLFFCRIMPZVROP-HXUWFJFHSA-N 437.521 3.527 0 40 IHAB COc1cccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC[C@H](C)C[C@H]4C3=O)cc2)c1 17723761 NTYHAIHECWWSLF-IWMITWMQSA-N 435.476 3.661 0 40 IHAB CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c(C(F)(F)F)c1 22239375 HXDKMMMZDRHGNI-UHFFFAOYSA-N 441.431 3.591 0 40 IHAB CCCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2ccc(=O)oc2c1 2149756 CUOGZIDNRDHEQK-LJQANCHMSA-N 429.494 3.544 0 40 IHAB biogenic COc1c(C)c2c(c(OC)c1C/C=C(\C)CCC(=O)Nc1nnc(C)s1)C(=O)OC2 62001751 GMPHFBKHWKFKKS-IZZDOVSWSA-N 431.514 3.750 0 40 IHAB biogenic COc1ccc(CNC(=O)c2c(N)n(Cc3ccco3)c3nc4ccccc4nc23)cc1 2394745 SMZHXYZYJLFZIF-UHFFFAOYSA-N 427.464 3.747 0 40 IHAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C[C@@H]1OC(=O)c2ccccc21 12607133 ARRTZMJVAPAKRJ-FQEVSTJZSA-N 440.496 3.561 0 40 IHAB Cc1ccnc2nc(C(=O)OCC(=O)c3c(-c4ccccc4)n(C)c4ccccc34)nn12 3313306 ZVXQGJSXBFJPAO-UHFFFAOYSA-N 425.448 3.631 0 40 IHAB C[C@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)N(C)Cc1ccc(F)cc1F 12740113 ZZJOMSQFLNJTQV-LLVKDONJSA-N 427.373 3.789 0 40 IHAB COC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)COc1ccccc1C(N)=O 12822296 CZIMYXBYYVVOAU-UHFFFAOYSA-N 444.896 3.972 0 40 IHAB CCOCCCn1c(SCC(=O)NCc2ccc(C)cc2)nc2ccccc2c1=O 3500267 MJPLVMLPMJBNIY-UHFFFAOYSA-N 425.554 3.540 0 40 IHAB Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)N2C[C@H](C(N)=O)Oc3ccccc32)c1 12936853 FPHWMNKRNHAXLP-HSZRJFAPSA-N 438.487 3.741 0 40 IHAB CC1CCN(S(=O)(=O)c2ccc(C(=O)OCc3ccc(-n4cccn4)cc3)cc2)CC1 18090776 YSXXKXKKDXCYJK-UHFFFAOYSA-N 439.537 3.650 0 40 IHAB O=C(NCc1ccc2c(c1)OCO2)c1nnn(-c2ccccc2Cl)c1-c1cccnc1 67261278 VNEOIOVCZXXJQM-UHFFFAOYSA-N 433.855 3.641 0 40 IHAB CCN1CCN(C(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccc(Cl)cc3)cc2)CC1 408703393 FQWQBUAWUMXPPM-QHCPKHFHSA-N 444.000 3.892 0 40 IHAB O=C(C[C@H]1N=C(N2CCc3ccccc3C2)NC1=O)Nc1ccc(Oc2ccccc2)cc1 13721063 RBWZJIMRIKDJSK-HSZRJFAPSA-N 440.503 3.720 0 40 IHAB CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)Cc2cn3ccsc3n2)cc1 9157104 WVIRALMKVZHDJW-UHFFFAOYSA-N 432.571 3.530 0 40 IHAB Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)c2cc(F)ccc2Br)c1C 14643872 NTEIHLBHKFETBW-UHFFFAOYSA-N 429.311 3.708 0 40 IHAB NC(=O)c1c(NC(=O)CN2CCC[C@H](c3nc4ccccc4s3)C2)sc2c1CCC2 8705243 ZPKNKZYJPFYHGH-ZDUSSCGKSA-N 440.594 3.764 0 40 IHAB COc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2ccc(F)c(Cl)c2)cc1 9236722 POOQXEMQTBWHRC-IAGOWNOFSA-N 433.896 3.785 0 40 IHAB C[C@@H]1Oc2ccc(NC(=O)c3cccc(OCc4cn5ccccc5n4)c3)cc2NC1=O 15480149 NHPKPUHUKIFJQU-HNNXBMFYSA-N 428.448 3.885 0 40 IHAB C[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(-n2cncn2)cc1 15554314 RYFRYAJHWTZMSE-QGZVFWFLSA-N 447.520 3.559 0 40 IHAB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc(OC(=O)c2ccccc2)cc1 8923271 VYSFZDAABXETQI-HXUWFJFHSA-N 443.455 3.685 0 40 IHAB Cc1cc(Br)ccc1NC(=O)CNC(=O)CN1CC=C(c2ccccc2)CC1 16097481 ZQZSZFPEWQBPAN-UHFFFAOYSA-N 442.357 3.602 0 40 IHAB CC(=O)N[C@H](CSc1cc(C)nc2ccc(Br)cc12)C(=O)OC(C)C 9309708 AVSXWJXDSKAHJG-MRXNPFEDSA-N 425.348 3.854 0 40 IHAB CCn1c(COc2ccccc2OC)nnc1S[C@H](C)C(=O)Nc1nc(C)cs1 9302836 MWYCUJPRCNUNML-CYBMUJFWSA-N 433.559 3.770 0 40 IHAB CS(=O)(=O)Nc1ccc(C2=NN(C(=O)c3ccco3)[C@H](c3cccc(F)c3)C2)cc1 9392154 GMMPPZJUHXUVDT-IBGZPJMESA-N 427.457 3.782 0 40 IHAB Fc1ccc(Cn2nnnc2[C@H](c2ccccc2F)N2CCN(C3CCCC3)CC2)cc1 22929409 KJBVAKONZAKYOO-QHCPKHFHSA-N 438.526 3.649 0 40 IHAB CC(=O)Nc1nc(C(=O)O[C@@H]2CCC[C@@H]2N2CCN(c3cccc(Cl)c3)CC2)cs1 72310689 GZCGLYCFLQKVTK-RBUKOAKNSA-N 448.976 3.655 0 40 IHAB CN(C)[C@@H](CNC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccsc1 25330834 QSEULKAGVXIUQB-KRWDZBQOSA-N 426.508 3.797 0 40 IHAB COc1ccc([C@@H](NC(=O)CN[C@@H](c2nc(-c3ccncc3)no2)C(C)C)C(C)C)cc1 95466603 ULWVTNJUGLLVNK-FCHUYYIVSA-N 437.544 3.940 0 40 IHAB CCOC(=O)c1ccc(N2CCN(CC)CC2)c(NC(=O)COc2ccccc2Cl)c1 9908033 TTZSQOKTYRDPKP-UHFFFAOYSA-N 445.947 3.676 0 40 IHAB CCOc1ccc(N(CCCC(=O)N[C@@H]2CCCc3ccccc32)S(C)(=O)=O)cc1 113962147 XMXSEOQQSZSRDN-JOCHJYFZSA-N 430.570 3.825 0 40 IHAB O=C(CC1(N2Cc3ccccc3C2=O)CCOCC1)Nc1nc2c(s1)CCCCC2 1548347895 CVPCEEIURXOSTP-UHFFFAOYSA-N 425.554 3.946 0 40 IHAB Cc1cccc(CN2C[C@@H](c3cn(C(C)C)cn3)[C@@]3(CCN(Cc4ccncc4)C3=O)C2)n1 306128255 GVLOYIYSYUYNKW-JYFHCDHNSA-N 444.583 3.581 0 40 IHAB COc1ccc(CN2CCC3(CC2)CCn2ccnc2[C@@H]3NC(=O)c2cscn2)cc1 306133310 MHZMRUUIVHQQPC-FQEVSTJZSA-N 437.569 3.505 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 408703758 YDPCCQUBBNMXBA-UHFFFAOYSA-N 432.542 3.665 0 40 IHAB Cc1ccc(N2C[C@@H](C(=O)Oc3ccc(N4C(=O)CCCC4=O)c(C)c3)CC2=O)c(C)c1 408674303 ZASSEFLHQVYEIV-SFHVURJKSA-N 434.492 3.614 0 40 IHAB O=C(NCCCCc1ccccc1)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 408709992 KLFMMLSHSGKVTM-UHFFFAOYSA-N 443.547 3.737 0 40 IHAB CCNC(=S)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1cc2cc(C)ccc2[nH]c1=O 35313562 MHZLFEGXQOFIFZ-JOCHJYFZSA-N 437.565 3.696 0 40 IHAB CCN1c2cc(OC)c(OC)cc2C(C)=C(C(=O)NC2CCCCCCC2)S1(=O)=O 219195697 WIPQYKVXIZDXGS-UHFFFAOYSA-N 436.574 3.834 0 40 IHAB COc1cc([C@H]2CC(=O)N=C3NC=NN32)cc(Br)c1OCc1ccc(C)cc1 38261728 OAHYDNGGKBWSQC-MRXNPFEDSA-N 443.301 3.521 0 40 IHAB O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)NC[C@H]1C[C@H]2C=C[C@H]1C2 524735005 YOMHNEGCTHBVHV-KKFFFLSNSA-N 427.504 3.520 0 40 IHAB Cc1ccc(-n2nc(C(=O)N[C@H](CO)Cc3c[nH]c4ccccc34)c3c2CCC3)c(F)c1 536205559 SOKKTEQSAIGCTD-KRWDZBQOSA-N 432.499 3.623 0 40 IHAB Cc1cccc(N2C[C@@H](C(=O)Nc3sc4c(c3C(N)=O)CCCCC4)CC2=O)c1C 72104951 GUCQHCCMGJRCPB-HNNXBMFYSA-N 425.554 3.724 0 40 IHAB CC[C@H](C(=O)N[C@H]1CC(C)(C)Oc2cc(C)ccc21)N(c1ccccc1)S(C)(=O)=O 219086700 TUUSOKZOFQTRQM-VQTJNVASSA-N 430.570 3.958 0 40 IHAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)C1CN(C(=O)COc2ccccc2F)C1 70814800 VAHWBYWOCJEPSF-UHFFFAOYSA-N 430.785 3.974 0 40 IHAB COc1ccc(CC[C@@H](C)Nc2cc(Cn3ncc4ccccc4c3=O)nc(C)n2)cc1 72373237 AHFZYJUJGLFACL-QGZVFWFLSA-N 429.524 3.985 0 40 IHAB COc1ccc(CN(C(=O)COc2ccc(OC)cc2)[C@H](C)C(=O)NC2CCCC2)cc1 224046228 BWAMYIYXEGQCRT-GOSISDBHSA-N 440.540 3.559 0 40 IHAB Cc1ccc(N(CCCC(=O)NCCOc2ccc(Cl)cc2)S(C)(=O)=O)cc1C 224053552 ZLYJDJPWEWMFCA-UHFFFAOYSA-N 438.977 3.698 0 40 IHAB COc1ccc(N2C(=O)C[C@H](c3ccc(OC)c(OC)c3)c3sc(=O)n(C)c32)cc1 49544319 FYSJOFWBNXWZPW-MRXNPFEDSA-N 426.494 3.673 0 40 IHAB CCc1ccc(OCCNC(=O)[C@@H](CC)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 224313511 IJRMZXXOBRRWQB-JOCHJYFZSA-N 432.586 3.606 0 40 IHAB CCOc1ccc(C(=O)N2c3ccc(S(=O)(=O)NCc4ccco4)cc3C[C@@H]2C)cc1 223378187 OHKZVPSXHLVPLL-INIZCTEOSA-N 440.521 3.748 0 40 IHAB Cc1ccccc1-n1c(CC2CCN(C(=O)c3ccc4ncsc4c3)CC2)n[nH]c1=O 225547964 NMFBGTQNFAAJIS-UHFFFAOYSA-N 433.537 3.574 0 40 IHAB CC(C)c1ccc(N(CC(=O)NCCOc2ccc3ccccc3c2)S(C)(=O)=O)cc1 223591326 XJEMAPBFJZZBOI-UHFFFAOYSA-N 440.565 3.924 0 40 IHAB O=C(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccc(Cl)cc1 224415542 JVUOYOFGXQMGQK-UHFFFAOYSA-N 437.949 3.715 0 40 IHAB COc1ccccc1N(CCCC(=O)Nc1ccc(OC(F)(F)F)cc1)S(C)(=O)=O 224890898 PMRSIGRMQLZJDI-UHFFFAOYSA-N 446.447 3.779 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc3sncc3c2)C1 222548031 JSNZPKZDLQLBIB-OAHLLOKOSA-N 445.566 3.653 0 40 IHAB Cn1c(=O)n(C/C=C/c2ccccc2)c(=O)c2c1nc1oc(-c3ccc(Cl)cc3)cn12 96306528 RDFHDXFKLFVWGJ-VMPITWQZSA-N 432.867 3.975 0 40 IHAB CCOC(=O)Cc1csc(NC(=O)c2cc(-c3ccc(Br)s3)[nH]n2)n1 95474129 WBUGCNZSSZCLJR-UHFFFAOYSA-N 441.332 3.715 0 40 IHAB COCCC(=O)N1CC[C@H](Oc2ccc(F)cc2)[C@@H](CC(=O)N(C)Cc2ccccc2)C1 257250582 JNCPVXRYQDJQNB-REWPJTCUSA-N 442.531 3.507 0 40 IHAB Cc1nc([C@H]2CCN(C(=O)c3ccccc3)C2)nc2c1CC(=O)N2CCCc1ccccc1 257272396 NCGCXRUJTZEBMZ-QFIPXVFZSA-N 440.547 3.937 0 40 IHAB COc1cccc(O[C@H]2CCN(C(=O)c3cc(-c4cccc(F)c4)no3)CC[C@@H]2O)c1 257231432 GGQOARIHTZZUON-SFTDATJTSA-N 426.444 3.534 0 40 IHAB O=C(CCc1nc(O)c2ccccc2n1)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@H]21 257198536 BYQRZZAKUKCZOI-BBVKZKKFSA-N 432.568 3.690 0 40 IHAB Cc1cnn(C(=O)c2ccc(F)cc2F)c1[C@@H]1COCCN1C(=O)c1ccc(F)cc1F 257208036 BKJWDLUGHHCJFB-IBGZPJMESA-N 447.388 3.650 0 40 IHAB O=C(Nc1ccc(F)cc1)c1ccc(CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)cc1 683319307 OBWHWECQVYGCLR-RUZDIDTESA-N 429.451 3.972 0 40 IHAB COc1ncc(C2(O)C[C@@H]3CC[C@H](C2)N3Cc2c(OC)ccc3ccccc23)c(OC)n1 72337568 MVSQZFSULQKJSO-OXUKXLDXSA-N 435.524 3.670 0 40 IHAB CCOC(=O)[C@]1(Cc2cc(-c3ccccc3F)no2)CCCN(C(=O)c2ccccn2)C1 72394098 GFBOQHPQKPOXEO-DEOSSOPVSA-N 437.471 3.904 0 40 IHAB COCCn1nnnc1[C@H](c1ccccc1Cl)N1CCN(c2cccc(C)c2C)CC1 13504304 PJBJIWHNOAROTQ-QFIPXVFZSA-N 440.979 3.501 0 40 IHAB O=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1ccn(S(=O)(=O)c2ccccc2)c1 13585734 UPRHRWDNBKXLQZ-UHFFFAOYSA-N 431.322 3.833 0 40 IHAB Cc1cccc(CSCCNC(=O)[C@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)c1 14155865 JCTVAWTWINHLFR-IBGZPJMESA-N 434.627 3.816 0 40 IHAB Cc1cc(C)cc(N(CC(=O)Nc2ccc(Br)cc2F)S(C)(=O)=O)c1 14412381 AKCUKCXJDAKTNH-UHFFFAOYSA-N 429.311 3.610 0 40 IHAB CC(C)c1cc(C(=O)N2CC[C@@](Cc3cccc(-c4ccncc4)c3)(C(=O)N(C)C)C2)[nH]n1 19451731 SSOPJSODGWWGEG-SANMLTNESA-N 445.567 3.758 0 40 IHAB COc1cccc(C(=O)N[C@@H](Cc2cc(=O)[nH]c(-c3ccncc3)n2)c2ccc(F)cc2)c1 19564779 VUWOCXVXOREIQN-QFIPXVFZSA-N 444.466 3.693 0 40 IHAB CNc1ncccc1CN1CCC([C@H](NC(=O)Cc2ccccc2)c2ccccn2)CC1 19592037 CSIZNTVDGIPQJS-VWLOTQADSA-N 429.568 3.831 0 40 IHAB CNc1nc([C@H]2CCCN2C(=O)c2csc(Cc3ccccc3)n2)nc2c1CCN(C)C2 19707468 IHKHPQAMIWULAI-HXUWFJFHSA-N 448.596 3.531 0 40 IHAB CCN(CC)C(=O)CN(CC)[C@@H]1CCO[C@H](c2ccc(C(=O)Nc3nccs3)cc2)C1 19712689 XSTZGXCXQKAJCZ-UXHICEINSA-N 444.601 3.806 0 40 IHAB CC(C)CNC(=O)c1cc([C@H]2CCN(C(=O)c3cc(C4CC4)nn3C)C2)nc2ccccc12 19762489 HLVIVGGUBFKZCD-SFHVURJKSA-N 445.567 3.861 0 40 IHAB CC(=O)N1CCC(NC(=O)[C@@H](Oc2ccccc2Br)c2ccccc2)CC1 612168803 VTBFXSZDGPCXBJ-FQEVSTJZSA-N 431.330 3.696 0 40 IHAB Cc1nc(CN2CCC(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)CC2)cs1 252492708 MTLRMYCVORKURB-UHFFFAOYSA-N 425.524 3.652 0 40 IHAB Cc1cc(C)n(C)c(=O)c1C(=O)N1CCC(c2nc3ccccn3c2NC(C)(C)C)CC1 19572107 DKWZHRNDBGHRFL-UHFFFAOYSA-N 435.572 3.880 0 40 IHAB CC(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)C[C@H](Cc2cn3cc(C)nc3cn2)C1 2037838285 AQJFPSJGKOOHOP-IBGZPJMESA-N 445.489 3.580 0 40 IHAB O=S(=O)(Nc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCC2)c1cccc(F)c1 9569483 HKPFUBCATXSMIG-UHFFFAOYSA-N 446.525 3.768 0 40 IHAB COc1ccc(-c2ccc(=O)n(CCNC(=O)c3sc(-c4ccccc4)nc3C)n2)cc1 9660867 FUYVHTDXHSWAMV-UHFFFAOYSA-N 446.532 3.781 0 40 IHAB COc1ccccc1NC(=O)Nc1nc(CC(=O)Nc2ccc3c(c2)OCCO3)cs1 9784540 KHHYMZZNDKFDPI-UHFFFAOYSA-N 440.481 3.748 0 40 IHAB CCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccco3)o2)cc1 10253775 AMUPFTXJFAXOLC-UHFFFAOYSA-N 444.513 3.925 0 40 IHAB COc1ccc(S(=O)(=O)CCC(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)cc1 10219468 PNBXKEKFZALBOW-UHFFFAOYSA-N 444.534 3.824 0 40 IHAB O=C(C[C@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21)Nc1ccc(Cl)cc1 12233132 XTKQFWDAOBAVAH-INIZCTEOSA-N 437.912 3.911 0 40 IHAB CCCOc1ccc([C@H](CC(=O)O)NS(=O)(=O)c2ccc(Br)cc2)cc1 12411274 WIPYLOAVCGRUGD-KRWDZBQOSA-N 442.331 3.732 0 40 IHAB Cc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C)cc3C)c(O)n2)cc1 16840128 LJXSAMCWHCWLQF-UHFFFAOYSA-N 443.550 3.671 0 40 IHAB COc1ccc(NC(=O)C2=NO[C@]3(CCCN(C(=O)/C=C/c4cccs4)C3)C2)cc1 2055835049 SXXGKNIXVGDPKE-DGSRBQDKSA-N 425.510 3.546 0 40 IHAB COc1ccc(Br)cc1/C=C/C(=O)NC(=S)Nc1cccc(C(=O)O)c1 17099393 KJKOXXOUJVIXCQ-VMPITWQZSA-N 435.299 3.682 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)C1CCN(Cc2nc(-c3ccccc3)no2)CC1 30955150 GIEYKSJZVAKSRY-UHFFFAOYSA-N 434.496 3.764 0 40 IHAB CC1=NN(c2ccccc2)C(=O)[C@@H]1[C@H](CC(=O)c1ccc(Br)cc1)C(=O)O 20247224 FGUSFVWQNHUXQZ-WMZOPIPTSA-N 429.270 3.762 0 40 IHAB CC(=O)N1CCc2cc(C(=O)[C@H](C)n3nnc(-c4cccc(C(F)(F)F)c4)n3)ccc21 31683643 RCFGJLYWXABMLS-LBPRGKRZSA-N 429.402 3.712 0 40 IHAB COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)NCc3cccnc3)n2)cc1 646617 IRSXZEVHOYUKBI-UHFFFAOYSA-N 434.443 3.975 0 40 IHAB CN(C)[C@@H](CNC(=O)c1ccccc1SCC(=O)NCc1ccco1)c1ccccc1 2633110 UAVFAEJWOKATFV-NRFANRHFSA-N 437.565 3.721 0 40 IHAB O=C(CCCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)NCc1ccccc1Cl 2975230 QDAZFIGBUHDKGY-UHFFFAOYSA-N 431.901 3.538 0 40 IHAB O=C(Cc1c(Cl)cccc1Cl)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 3334929 BKVDRIREBVEEOZ-UHFFFAOYSA-N 447.771 3.722 0 40 IHAB COC(=O)c1ccccc1NC(=O)COC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 3348121 WTTCWSHYMXLIRO-UHFFFAOYSA-N 449.488 3.978 0 40 IHAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NCC3(N(C)C)CCCCC3)c2)cc1 3382765 IYIHKGOIBVSWMU-UHFFFAOYSA-N 429.586 3.790 0 40 IHAB CN(CC(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1)S(=O)(=O)c1ccc(F)cc1 6153399 CENBYFWBHYDWJF-UHFFFAOYSA-N 438.484 3.628 0 40 IHAB CCn1c(CNC(=O)c2ccccc2)nnc1SCC(=O)Nc1ccc(C)c(Cl)c1 8400770 XOZVUMILKWBLEZ-UHFFFAOYSA-N 443.960 3.921 0 40 IHAB COC(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3F)c(F)c2)cc1 8810710 VBDMVIKTBQZFBM-UHFFFAOYSA-N 446.431 3.805 0 40 IHAB O=C(CN1C(=O)c2ccccc2C1=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2 8909556 BADVFVMZHFWSPQ-UHFFFAOYSA-N 438.896 3.507 0 40 IHAB O=C(COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)Nc1ccccc1Cl 9011509 YXTGMDZJTURSDL-UHFFFAOYSA-N 438.823 3.525 0 40 IHAB C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)Nc2ccc3cn[nH]c3c2)c1 9097181 IDHICFIQNVLSLS-HNNXBMFYSA-N 432.505 3.955 0 40 IHAB CCn1c(S[C@H](C)C(=O)Nc2ccc(OC)cc2)nnc1-c1ccc2c(c1)OCO2 9290017 PYWFBGKJQFSADI-CYBMUJFWSA-N 426.498 3.822 0 40 IHAB COc1ccc(CNC(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2Cl)cn1 9376589 DFXLNYUKHJRJLL-UHFFFAOYSA-N 449.891 3.614 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)Cc2ccc(OC)cc2)c1 9493312 COWSKXNPUSKMRX-UHFFFAOYSA-N 445.585 3.507 0 40 IHAB CCOc1ccccc1NC(=O)[C@H](c1ccccc1)n1nnc(-c2cccc(OC)c2)n1 9500403 AOBRELRIVCVRHT-QFIPXVFZSA-N 429.480 3.976 0 40 IHAB COc1ccc([C@@H](NC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)c2ccccc2)cc1 9516211 MRMBWUIAQIIDBW-BVAGGSTKSA-N 428.532 3.992 0 40 IHAB Cc1ccc(Cn2c(=O)c3c(nc4n3C[C@@H](C)CN4c3ccc(Cl)cc3)n(C)c2=O)cc1 9519072 UFPIKQJJBDFBNK-INIZCTEOSA-N 449.942 3.695 0 40 IHAB O=C(NCc1ccc(F)cc1)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O 9616334 MBELVJGMDYOOQS-UHFFFAOYSA-N 435.908 3.890 0 40 IHAB Cc1cccc(NC(=O)c2ccccc2NC(=O)CSc2nnnn2-c2ccccc2)c1 9619527 GVFXFSIJTXUTHD-UHFFFAOYSA-N 444.520 3.954 0 40 IHAB COc1cc(CN(C)[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)ccc1OC(F)F 9647385 ZEZOZMALSKTIGI-MRXNPFEDSA-N 449.498 3.592 0 40 IHAB CCOc1ccc(NC(=O)CSc2nc(O)c3cnn(-c4ccc(F)cc4)c3n2)cc1 9704212 POAIBLRPTVXWOF-UHFFFAOYSA-N 439.472 3.790 0 40 IHAB CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)COc2ccc(C(C)C)cc2)CC1 9908011 MKEKPLMKNZOKLI-UHFFFAOYSA-N 439.556 3.756 0 40 IHAB Cc1ccc(S(=O)(=O)c2nnn3c2nc(N2CCCCC2)c2sccc23)cc1C 9971068 OGDYAHPBIPJVLH-UHFFFAOYSA-N 427.555 3.779 0 40 IHAB COc1cn(CC(=O)Nc2ccc(C)cc2C)c(CSc2nc(C)cc(C)n2)cc1=O 10255005 GKXARDFPKUXGIZ-UHFFFAOYSA-N 438.553 3.812 0 40 IHAB COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=S)N[C@H]1c1cc(OC)c2c(c1)OCO2 10362440 LQSNKGJCOZTNDQ-SFHVURJKSA-N 446.912 3.960 0 40 IHAB CC(C)C[C@@H](C(=O)N1CCC(C(=O)Nc2ccccc2)CC1)N1C(=O)c2ccccc2C1=O 10445684 UQOXPSUISNGYHY-QFIPXVFZSA-N 447.535 3.575 0 40 IHAB COc1ccc(S(=O)(=O)Nc2nc(C(=O)NCc3ccccc3Cl)cs2)cc1 11693234 HTBDGTOTFAOWAU-UHFFFAOYSA-N 437.930 3.536 0 40 IHAB Cc1cc(C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)c4n[nH]c5c4CCCC5)C3)cc2n1 12088416 FTRMAWILLUOFNP-CYBMUJFWSA-N 432.450 3.678 0 40 IHAB C[C@@H](C(=O)N1CCC[C@H]2CN(C(=O)CCn3cnc4ccccc43)C[C@H]21)c1ccccc1 12220863 YTMARFSNSSPAOP-NHCICSSKSA-N 430.552 3.680 0 40 IHAB COc1cc(/C=C2\N=C3SCN(c4ccc(F)cc4)CN3C2=O)cc(OC)c1OC 12322600 HDGSTCFQVKEUDO-PXNMLYILSA-N 429.473 3.559 0 40 IHAB Cc1ccc(N2C(=O)[C@@H]3C(=O)Oc4ccc(Br)cc4[C@H]3C(C)(C)C2=O)cc1 12447772 DJDXMIVSCGGMBJ-IAGOWNOFSA-N 428.282 3.976 0 40 IHAB COc1cc(-c2nnc(SCC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)o2)cc(OC)c1OC 12532752 JBIHSSCTJIOUBJ-KCQAQPDRSA-N 435.546 3.795 0 40 IHAB CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)c3cnn(-c4ccccc4)c3)n2)cc1 12605870 RGRCPMPGBSAMKA-UHFFFAOYSA-N 439.522 3.620 0 40 IHAB Cc1cc(N2CCN([C@@H](C)C(=O)Nc3ccc(Br)cc3)CC2)nc(C(C)C)n1 12791097 DBAZFNZWCZDFFW-INIZCTEOSA-N 446.393 3.820 0 40 IHAB CC(C)(C)c1ccc(OC[C@H](O)CN2C(=O)N[C@](C)(c3ccc(Cl)cc3)C2=O)cc1 12845440 CVKNBUNBAAMPLW-WZONZLPQSA-N 430.932 3.844 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)CCCc2c[nH]c3ccccc23)cc1 12890511 CLUUGLOIZRIZTI-UHFFFAOYSA-N 427.570 3.838 0 40 IHAB COc1ccc(OC)c([C@@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)c1 12898879 NKTYIPKOSQWSFS-KRWDZBQOSA-N 426.332 3.992 0 40 IHAB CCN(CCS(=O)(=O)c1ccc(Br)cc1)Cc1ccc(OC)c(F)c1 12980735 XPZGUJNTHSSJTN-UHFFFAOYSA-N 430.339 3.893 0 40 IHAB CCOc1ccc2oc(C(=O)N3CCN(CC(=O)Nc4ccc(F)cc4)CC3)c(C)c2c1 12991649 RANREEPPUDVNCX-UHFFFAOYSA-N 439.487 3.676 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1cc(C)cc(C)c1)n2C 13057998 GVTQTJLYJRQBNQ-UHFFFAOYSA-N 442.585 3.792 0 40 IHAB Cc1cc(S(=O)(=O)N[C@@H](CC(=O)O)c2ccc(Cl)cc2)ccc1Br 13349320 KXQHNZFVDWMWMI-HNNXBMFYSA-N 432.723 3.905 0 40 IHAB COc1ccc([C@@H]2CC(=O)N(c3ccc(Br)cc3)C3=C2C(=O)OC3)cc1OC 13567555 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O=C(C1CCCCC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CN(Cc1ccccc1F)CC2 19349262 DPVQHCVDUHIESM-QFIPXVFZSA-N 438.547 3.711 0 40 IHAB O=C(NCc1cccnc1)c1cc(C2CCN(Cc3ccnc4ccccc34)CC2)no1 19376070 DQTSTVZXDMYFQS-UHFFFAOYSA-N 427.508 3.927 0 40 IHAB CCCN1CCN(C(=O)c2ccn(C)n2)C[C@H](Cc2ccccc2-c2ccccc2)C1=O 19503210 HCIHUXIXCLISNR-QFIPXVFZSA-N 430.552 3.640 0 40 IHAB Cc1nc([C@H]2CCCN2Cc2cnn(C)c2)nc2c1CCC(=O)N2CCCc1ccccc1 19741855 AVBZNNYPLWNCAX-HSZRJFAPSA-N 444.583 3.768 0 40 IHAB CC(=O)N1CCCC[C@H]1c1nc2c(c(NCc3ccccc3N3CCCC3)n1)CCN(C)C2 19752863 UWQBEBNLAVPHMT-DEOSSOPVSA-N 448.615 3.750 0 40 IHAB CCCOc1ccc(CC(=O)N2CCC[C@H]2c2ncc(C(=O)N3CCCC3)c(C)n2)cc1 19756175 OHTQATJASNKXRX-QFIPXVFZSA-N 436.556 3.716 0 40 IHAB CN(C)c1nc2ccccc2cc1CN1CC[C@H](c2cc(C(N)=O)c3ccccc3n2)C1 19762096 VXVPZCRURMTRND-SFHVURJKSA-N 425.536 3.937 0 40 IHAB Cc1nc([C@H]2CCCCN2C(=O)c2snnc2C)ncc1C(=O)Nc1ccccc1F 19764784 QCYDMBGEWIGRNY-QGZVFWFLSA-N 440.504 3.704 0 40 IHAB O=C1C[C@H](N2CCN(c3ccccc3Cl)CC2)C(=O)N1c1ccc(Br)cc1 19797541 GKPBLFFGWCIOJD-SFHVURJKSA-N 448.748 3.557 0 40 IHAB CCN1c2cc(OC)c(OC)cc2C(C)=C(C(=O)Nc2c(C)cccc2C)S1(=O)=O 20064029 YXYKJHUWOWHBEH-UHFFFAOYSA-N 430.526 3.860 0 40 IHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1 20112650 WRPRMFZQFVQGTI-INIZCTEOSA-N 426.513 3.975 0 40 IHAB O=C(Nc1ccc(Br)cc1Br)c1cc(F)ccc1-n1cnnn1 20730711 QUUIKQLECFOZRH-UHFFFAOYSA-N 441.058 3.579 0 40 IHAB COc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)CC1=O 21453834 AHAOBGYDNYZMTK-LBPRGKRZSA-N 437.279 3.537 0 40 IHAB COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc(NC(=O)C(F)(F)F)cc2)CC1 21579816 BMMLMKBQJPUSSZ-UHFFFAOYSA-N 441.837 3.812 0 40 IHAB CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)cc1C 22268104 TWWPHWDISYRKHE-JOCHJYFZSA-N 444.597 3.732 0 40 IHAB C[C@H](NC(=O)NCc1ccc(CN2CCOCC2)cc1)c1ccccc1Br 22436663 CXOWREKVFBORTQ-INIZCTEOSA-N 432.362 3.842 0 40 IHAB CCn1c(SCC(=O)Nc2ccc3c(c2)CCN3C(C)=O)nnc1-c1cccs1 22643541 XTMMZKJFGPNXLQ-UHFFFAOYSA-N 427.555 3.666 0 40 IHAB O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 24570683 BEECSQYBNZNTRS-LBPRGKRZSA-N 443.431 3.809 0 40 IHAB O=C1C[C@H](C(=O)N2CCCc3cc(C(F)(F)F)ccc32)CN1c1ccc2c(c1)OCO2 25084034 JIYMTWRWXCRPGV-AWEZNQCLSA-N 432.398 3.766 0 40 IHAB COC(=O)c1cccc(COC(=O)C2(S(=O)(=O)c3ccc(C)c(C)c3)CCCC2)c1 29558667 WDIBISPSSOPBID-UHFFFAOYSA-N 430.522 3.920 0 40 IHAB Cc1ccc(-c2nnc(COc3ccc(CCO)cc3-n3nc4ccccc4n3)o2)cc1 31609427 OXEUIONWCZJACF-UHFFFAOYSA-N 427.464 3.893 0 40 IHAB C[C@@H]1C[C@@H](C)CN(Cc2csc(NC(=O)[C@@H](C)NC(=O)OCc3ccccc3)n2)C1 32889383 RSYHFVJLXYXRMO-BRWVUGGUSA-N 430.574 3.874 0 40 IHAB COc1cc2c(cc1OC)CN(C(=O)CSc1nc(N)c3c(C)c(C)sc3n1)CC2 36395239 LDZTZEPJCCSWIY-UHFFFAOYSA-N 444.582 3.585 0 40 IHAB O=C(NCc1ccc(CN2CCOCC2)cc1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 38830739 IVGZEJHKQXDHTA-HSZRJFAPSA-N 442.003 3.701 0 40 IHAB O=C(Cc1cc2c(cc1Br)OCCO2)NCc1ccc(OC(F)(F)F)cc1 40024480 YNGOTLQJVNAGHU-UHFFFAOYSA-N 446.219 3.978 0 40 IHAB Cc1cc(NC(=O)Cn2c(-c3ccccc3)cc3ccccc32)n([C@@H]2CCS(=O)(=O)C2)n1 40052019 RDZZYSWBAHIHSO-HXUWFJFHSA-N 448.548 3.812 0 40 IHAB CCOc1ccc(-c2noc(CCC(=O)NC3(c4noc(C)n4)CCCCC3)n2)cc1 40069742 CJUVLGMYNRSYND-UHFFFAOYSA-N 425.489 3.735 0 40 IHAB O=C(NCc1cccnc1Oc1cccc(F)c1)[C@H]1CSCN1C(=O)c1ccccc1 40094357 NPGSMRSCGDLTRV-HXUWFJFHSA-N 437.496 3.845 0 40 IHAB Cc1noc2ncc(C(=O)N[C@H](CN3CCCC3=O)c3cccc(C(F)(F)F)c3)cc12 40121248 MADKLNOKUMKAPZ-QGZVFWFLSA-N 432.402 3.644 0 40 IHAB COC(=O)[C@H](CCSC)NC(=O)CCc1c(C)c2cc3c(C)coc3c(C)c2oc1=O 40313066 GSDAULLTINYRGA-SFHVURJKSA-N 445.537 3.808 0 40 IHAB biogenic COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N[C@H]1CCCc2ccccc21 44948291 CNCCOSYMDYEJHD-NRFANRHFSA-N 428.554 3.677 0 40 IHAB C[C@H]1CN(C(=O)CCNC(=O)Nc2ccc(N(C)C3CCCCC3)c(F)c2)C[C@H](C)O1 48333846 HRSSLTNLZGNDLV-IRXDYDNUSA-N 434.556 3.742 0 40 IHAB CC[C@@H](NCc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)c1ccc(Br)cc1 49625236 RELHNTYDSWUANL-OAHLLOKOSA-N 432.318 3.944 0 40 IHAB O=C1CCc2cc(C(=O)N3CCCN(C(=O)Nc4ccc(Cl)cc4)CC3)ccc2N1 58159990 PFUMKNVTWBNPPR-UHFFFAOYSA-N 426.904 3.605 0 40 IHAB CC(=O)c1ccc(-n2c(C)cn(C[C@@H](O)COc3cc(Cl)ccc3Cl)c2=O)cc1 58305378 GJNXRODSASCUHH-GOSISDBHSA-N 435.307 3.897 0 40 IHAB CC(C)CCc1nc(CS(=O)(=O)[C@@H](C)C(=O)N[C@@H]2CCOc3ccccc32)cs1 60104116 HSFWLAODUAAHDC-MAUKXSAKSA-N 436.599 3.675 0 40 IHAB CC(C)(C)OC(=O)N1CCC(N2Cc3cc(Br)ccc3OCC2=O)CC1 65184450 FZVVYWDZCIAQKM-UHFFFAOYSA-N 425.323 3.570 0 40 IHAB CCOc1ccc(NC(=O)c2nnn(CC(=O)Nc3cccc(SC)c3)c2C)cc1 67322658 KODYSPFGMKJRRM-UHFFFAOYSA-N 425.514 3.598 0 40 IHAB O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)Nc1cccc2c1OCCO2 69819990 MKJRSKZUETXFPI-UHFFFAOYSA-N 425.491 3.596 0 40 IHAB CCCCN1C(=O)C[C@@H](C(=O)Nc2cnc3c(c2)c(C)nn3C)[C@H]1c1ccc(OC)cc1 71794095 ZJGFJJRUBCKMMC-IFMALSPDSA-N 435.528 3.614 0 40 IHAB CCCCN1C(=O)C[C@H](C(=O)Nc2cnc3c(c2)c(C)nn3C)[C@H]1c1ccc(OC)cc1 71794097 ZJGFJJRUBCKMMC-RBBKRZOGSA-N 435.528 3.614 0 40 IHAB CC(C)(C)c1cc2nc([C@@H]3CCCN(C(=O)c4cnccn4)C3)cc(C(F)(F)F)n2n1 72341101 DAZNZPXVFQVKTF-CYBMUJFWSA-N 432.450 3.855 0 40 IHAB COCCNC(=O)c1sc2ccccc2c1[C@H]1CCN(C(=O)Cc2cccc(F)c2)C1 72352417 JVWRKEYWWVEIRH-KRWDZBQOSA-N 440.540 3.975 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)c2ccc(C)cc2)cc1 100217890 RNDFWOFEROWYIU-DNVFCKCGSA-N 442.581 3.894 0 40 IHAB COc1ccc(Cl)cc1N(CC(=O)NCc1cccc2ccccc12)S(C)(=O)=O 222839401 KJSQFOGXXOJPBN-UHFFFAOYSA-N 432.929 3.584 0 40 IHAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccccc1OC 223240718 FMTWXNWYWIBLPP-KRWDZBQOSA-N 439.339 3.934 0 40 IHAB CCCc1ccc(OCCNC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1 223633817 HTHXSQAZUWRYBU-UHFFFAOYSA-N 432.586 3.724 0 40 IHAB Cc1ccc(OCCNC(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1C 224633397 VMFZFMSQXDWQDT-UHFFFAOYSA-N 438.977 3.698 0 40 IHAB CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)COc1cc(C)cc(C)c1C 225001329 NUKRWADQYQITPN-FQEVSTJZSA-N 426.557 3.943 0 40 IHAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1cc(OC)cc(OC)c1 225039761 BPXVAMDPLWDQHK-MOPGFXCFSA-N 442.556 3.723 0 40 IHAB CN(c1cccc(NC(=S)NCCCSCc2ccc(F)cc2)c1)S(C)(=O)=O 225615410 GJSGYFZXSAPLPL-UHFFFAOYSA-N 441.619 3.831 0 40 IHAB CCc1nccn1-c1cccc([C@H]2CCCN2C(=O)c2ccc(OCCN(C)C)cc2)n1 257199583 AAAHWCWPZPSPIW-JOCHJYFZSA-N 433.556 3.747 0 40 IHAB COc1ccc(Nc2cc(C)nc([C@@H]3CCN(S(=O)(=O)c4c(C)noc4C)C3)c2)cc1 257344574 ZXWHDCYJWCRJDS-QGZVFWFLSA-N 442.541 3.925 0 40 IHAB Cc1cccc(CN2Cc3c(nc(C)n3C(C)C)C3(CCN(c4ncccn4)CC3)C2)n1 306131259 JZJQTYXJGFHIFH-UHFFFAOYSA-N 431.588 3.820 0 40 IHAB Cc1nc(C(=O)N2C[C@@H]3[C@@H](C2)c2cc(-c4ccc(F)cc4)ccc2S3(=O)=O)cs1 306144628 ZKKJEXUDNYJCSN-FXAWDEMLSA-N 428.510 3.653 0 40 IHAB COCCCNS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(Cl)cc2Cl)c1 408558042 HZTKKYGYXRZVGL-UHFFFAOYSA-N 447.340 3.569 0 40 IHAB COc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 408659879 KEWVCHOONUXJRN-UHFFFAOYSA-N 425.268 3.903 0 40 IHAB O=C(Nc1c(Cl)cccc1Cl)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 408701326 WHFLTXODBBQUKB-UHFFFAOYSA-N 449.743 3.920 0 40 IHAB COc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc(OC)c(C)c2OC)C1=O 409218919 YKOCNJIJKKTMGW-WQRHYEAKSA-N 442.493 3.696 0 40 IHAB Cc1c(C(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)nnn1-c1ccccc1Cl 505013129 IHCMBDPEPZBSFJ-UHFFFAOYSA-N 445.901 3.902 0 40 IHAB CCOC(=O)CSc1nnc(CNc2ccc(OC)cc2)n1-c1ccc(OC)cc1 870505 OVBAWPAPAIGDSO-UHFFFAOYSA-N 428.514 3.552 0 40 IHAB CCOC(=O)[C@@H]1[C@H](c2cccc(Oc3ccccc3)c2)NC(=O)N(C)[C@]1(O)C(F)(F)F 8433049 ZSZKOKPABFKBKF-ABSDTBQOSA-N 438.402 3.605 0 40 IHAB Cc1sc2ncnc(N[C@@H](C)C(=O)N3CCC(C(=O)N4CCCCCC4)CC3)c2c1C 8724260 AXWXUUBIHQFAGE-INIZCTEOSA-N 443.617 3.750 0 40 IHAB Cc1ccccc1-n1cnnc1SCC(=O)Nc1ccccc1C(=O)NC1CCCC1 8778408 DQOUVYXFZULECQ-UHFFFAOYSA-N 435.553 3.979 0 40 IHAB CC(C)(C)NC(=O)CSc1nnc(-c2nn(Cc3ccccc3)c(=O)c3ccccc23)o1 8825029 BIPYNTMNUZRFBP-UHFFFAOYSA-N 449.536 3.502 0 40 IHAB Cc1cc(C)n2nc(SCC(=O)N3N=C(c4cccs4)C[C@@H]3c3ccco3)nc2n1 8965851 RVTKOOOITHTRFL-OAHLLOKOSA-N 438.538 3.866 0 40 IHAB CCCN1C(=O)C(C)(C)COc2cc(NS(=O)(=O)c3cc(C)ccc3OC)ccc21 9167599 CEBACUQMVXTVKY-UHFFFAOYSA-N 432.542 3.966 0 40 IHAB Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(Cl)cc3)c(=O)n2C)cc1C 9210663 KAPJZGGCHOUBGE-UHFFFAOYSA-N 449.942 3.757 0 40 IHAB C[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)C1=O 9224059 WUNRTESIQGHMLS-RUZDIDTESA-N 439.475 3.636 0 40 IHAB CCOc1cc(CNCCc2c[nH]c3ccccc23)cc(Br)c1OCC(N)=O 9225051 OIMBTJYTEJVPPW-UHFFFAOYSA-N 446.345 3.526 0 40 IHAB Cc1ccccc1-n1ccnc1SCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 9254642 XVRWEVNSVGNCAG-UHFFFAOYSA-N 433.537 3.709 0 40 IHAB Cc1nc(N2CCN(c3ccccc3)CC2)[nH]c(=O)c1Cc1ccc(Br)cc1 9426305 JSGXMDIMLPBVBW-UHFFFAOYSA-N 439.357 3.758 0 40 IHAB CC(C)CC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@]3(CCCc4sccc43)C2=O)cc1 9442398 UFIYOUAPVZNCNE-QHCPKHFHSA-N 439.537 3.699 0 40 IHAB Cc1ccc(CN(C)C(=O)CN2C(=O)N[C@@](C)(c3cccc4ccccc34)C2=O)c(C)c1 9516849 JYGYJTAGFZCWPI-SANMLTNESA-N 429.520 3.882 0 40 IHAB O=C(CSc1nnc(NC[C@H]2CCCO2)s1)Nc1nc(-c2ccccc2)cs1 9593496 BKPXTSKWQXDJQK-CYBMUJFWSA-N 433.584 3.983 0 40 IHAB CCCCc1ccc(-n2nnnc2S[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1 9647873 KUOKDORSPKMTFJ-AWEZNQCLSA-N 425.514 3.853 0 40 IHAB COc1ccccc1-n1c(C)nnc1SCC(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 9715185 CONPNSYWJUSXQV-MRXNPFEDSA-N 448.552 3.740 0 40 IHAB CN(CCOc1ccccc1)C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 9740855 PHAULFPVVOWPHQ-UHFFFAOYSA-N 436.533 3.589 0 40 IHAB CC(C)c1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(Br)cc2)cc1 10041587 ZMPYOHCHTWKVNF-CYBMUJFWSA-N 425.348 3.878 0 40 IHAB Cc1ccc(C)c(N([C@@H](C)C(=O)Nc2ccccc2C(=O)NC(C)(C)C)S(C)(=O)=O)c1 10367896 SOWYJZBVXLQOQP-KRWDZBQOSA-N 445.585 3.625 0 40 IHAB Cc1cc(N2CCN(C(=O)[C@H](C)Oc3ccc(Br)cc3)CC2)nc(C(C)C)n1 11009978 GQXRSWFNXZDEKZ-INIZCTEOSA-N 447.377 3.787 0 40 IHAB COc1ccc(CCN2CC3=C(C2=O)[C@@H](c2ccc(Cl)c(Cl)c2)NC(=O)N3)cc1 11665701 BNHYKDGNGPKGSN-LJQANCHMSA-N 432.307 3.695 0 40 IHAB O=c1c2nc(N3CCOCC3)sc2c(-c2cccs2)nn1Cc1cccc(F)c1 11666265 CNTVBVDPLAGLJP-UHFFFAOYSA-N 428.514 3.606 0 40 IHAB Cc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)c2ccc(Br)o2)n1 11854462 KKHLVVRYYBJKHH-UHFFFAOYSA-N 446.286 3.600 0 40 IHAB CC(C)n1c(=O)oc2cc(S(=O)(=O)N[C@H](Cc3ccsc3)c3cccnc3)ccc21 12228795 IXEGGYFUJLIOCK-GOSISDBHSA-N 443.550 3.894 0 40 IHAB O=C(NC[C@@H]1CCCO1)c1ccccc1NS(=O)(=O)c1cc(Cl)sc1Cl 12508195 WBNTVRSEGPRTAJ-JTQLQIEISA-N 435.354 3.765 0 40 IHAB Cc1ccc(NC(=O)CN(C)C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1 12593270 QDGOCCVGGADIFB-UHFFFAOYSA-N 425.492 3.953 0 40 IHAB CCOc1ccc(C(=O)N[C@H](C(=O)NC[C@H](c2ccccc2Cl)N(C)C)C(C)C)cc1 12801556 GUBGSSBTGVNDMV-YADHBBJMSA-N 445.991 3.912 0 40 IHAB CS(=O)(=O)c1ccc(NC(=O)CN2CCc3sccc3[C@@H]2c2ccccc2)cc1 12928211 RMADAFMEYNTSNJ-QFIPXVFZSA-N 426.563 3.738 0 40 IHAB CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)c2cccnc2N2CCCC2)cc1 14070343 PAVUOGQHQVOHKV-UHFFFAOYSA-N 442.585 3.887 0 40 IHAB CC[C@@H](C)n1c(S[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)nc2ccccc2c1=O 14108851 IHPBJRLMNCVUHT-CABCVRRESA-N 439.537 3.893 0 40 IHAB CC(C)[C@H](NCC(=O)Nc1cc(Cl)ccc1-n1cncn1)c1ccc2c(c1)OCCO2 14186182 QIMLBAXRNPUCGI-QFIPXVFZSA-N 441.919 3.617 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2sc(C)c(C)c2C(=O)OC)c1 14228917 UTGUSBUEXFVOSD-UHFFFAOYSA-N 438.571 3.743 0 40 IHAB O=C(CCC1CCCCC1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 14238625 CWYIACAUZMFKCE-UHFFFAOYSA-N 428.964 3.895 0 40 IHAB CC(C)n1ncc2c(C(=O)NCC(=O)Nc3ccc(F)c(F)c3F)cc(C3CC3)nc21 14245338 MGMVAMQGKFGPOT-UHFFFAOYSA-N 431.418 3.675 0 40 IHAB CCCCOc1ccc(/C=c2\sc3nc(-c4ccc(OC)cc4)nn3c2=O)cc1OC 16728767 KRIROSWQUOZSSU-ZHZULCJRSA-N 437.521 3.562 0 40 IHAB CCc1sc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1Br 17101182 HHAZYRWYZDSLCC-UHFFFAOYSA-N 437.359 3.760 0 40 IHAB COc1c(C)cccc1C(=O)NCCn1ncc(-c2ccc(F)cc2)c1-c1nccn1C 19235879 FJMJAROHRARLOC-UHFFFAOYSA-N 433.487 3.837 0 40 IHAB COc1cc(OC)c(C2=NO[C@H](C(=O)N3CCCCC[C@@H]3c3ccn(C)n3)C2)cc1Cl 19291012 DPGJXYJAMDVHSP-NQIIRXRSSA-N 446.935 3.728 0 40 IHAB NC(=O)[C@@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)COc2ccccc2F)C1 19350154 NUKHBWSYVBGEAS-XMMPIXPASA-N 438.524 3.880 0 40 IHAB CCc1nnsc1C(=O)N1CCC(c2nc(N(C)C)ncc2-c2cccc(F)c2)CC1 19695242 UXYLFEZRAFQJBZ-UHFFFAOYSA-N 440.548 3.782 0 40 IHAB CCCN1C(=O)CCc2c(C)nc(C3CCN(C(=O)c4ccc5nc(C)[nH]c5c4)CC3)nc21 19739535 HXEKGOCWAWFWKB-UHFFFAOYSA-N 446.555 3.679 0 40 IHAB Cc1cc(I)ccc1NC(=O)c1ccc(CN2CCCC2=O)cc1 20456457 ACVWNCJSYKIQHQ-UHFFFAOYSA-N 434.277 3.974 0 40 IHAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 20458325 JLMGCKZPAWCASY-QHCPKHFHSA-N 438.549 3.530 0 40 IHAB Cc1cc(C)cc(OCC(=O)Nc2ccc(N3CCN(C(=O)C(F)(F)F)CC3)cc2)c1 20529113 PHOOVFBOAHLGLT-UHFFFAOYSA-N 435.446 3.532 0 40 IHAB O=C(CN1CCN(CCc2ccccc2)CC1)Nc1ccc(Br)cc1Cl 22930067 OTDDFBREDCCTNS-UHFFFAOYSA-N 436.781 3.901 0 40 IHAB CCC[C@@H](NC(=O)[C@H](C)N1CCN(Cc2ccc(OC)c(F)c2)CC1)c1ccccc1 22933830 OQYWRRNZSVGEQP-WMZHIEFXSA-N 427.564 3.998 0 40 IHAB C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCN(C(=O)c2ccccc2)CC1 23822537 YQDKLWZMHLEYFZ-NRFANRHFSA-N 427.548 3.739 0 40 IHAB CCCCOc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1OC 26539213 AQCCZUNPTPDIEN-UHFFFAOYSA-N 426.513 3.561 0 40 IHAB C[C@H](Nc1ccc(NC(=O)NC2CC2)cc1)C(=O)N(C)CCOc1ccc(Cl)cc1 26992003 NRSLRHDRQPVHST-HNNXBMFYSA-N 430.936 3.962 0 40 IHAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc(=O)n(Cc2ccccc2Cl)c1 27335735 PAOHINXOAMFVOV-FQEVSTJZSA-N 425.916 3.710 0 40 IHAB O=C1COc2ccc(S(=O)(=O)Oc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2N1 29236743 HEUPSSJUMVBWND-UHFFFAOYSA-N 441.305 3.823 0 40 IHAB COC(=O)c1ccc([C@@H]2NC(=O)N(C3CC3)C(C)=C2C(=O)Nc2ccc(F)c(F)c2)cc1 32665984 CQUXLQANHHDIPL-FQEVSTJZSA-N 441.434 3.893 0 40 IHAB CC1=NS(=O)(=O)NC(C)=C1CCC(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 32778004 QZDQDGIWLJWEEK-VYFUWZELSA-N 449.576 3.763 0 40 IHAB CCOC(=O)/C(=C/c1ccsc1)C1=Nn2c(nnc2-c2ccc(OC)cc2)SC1 33469797 SOYRZRVVAIGOFE-MHWRWJLKSA-N 426.523 3.972 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)N(C)Cc2ccccc2)c2ccc(F)cc2)cc1 33561194 DIBNNJSRSWOIDP-UHFFFAOYSA-N 442.512 3.688 0 40 IHAB CCc1ccc2c(c1)c1nnc(SCC(=O)Nc3ccc(NC(C)=O)cc3)nc1n2C 35312652 MKGORCDGTOPMPQ-UHFFFAOYSA-N 434.525 3.768 0 40 IHAB O=C(c1cc(Br)ccc1O)N1CCN(Cc2c(F)cccc2Cl)CC1 36611192 PMYBCGQSUGOWAQ-UHFFFAOYSA-N 427.701 3.905 0 40 IHAB COCCN(Cc1cccs1)C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C 36625341 IEEFAVBGIMGDIN-UHFFFAOYSA-N 436.599 3.520 0 40 IHAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2ccc(NC(=O)/C=C(/C)C(=O)O)cc2)cc1 37019035 URNYVXMPGAGPHS-WUFNSSIPSA-N 441.509 3.734 0 40 IHAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)S(=O)(=O)c1cc(C)ccc1OC 39985654 SDINIIWBQDZPBJ-UHFFFAOYSA-N 430.448 3.672 0 40 IHAB COc1ccc(-c2nc(CSc3nc(CN4CCOCC4)nc4ccccc34)no2)cc1 40057412 DGXBKCVXVDBJOT-UHFFFAOYSA-N 449.536 3.813 0 40 IHAB O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)[C@H]1CCCN(C(=O)c2ccoc2)C1 40059870 AGPFQNPLNMRZKS-AWEZNQCLSA-N 432.402 3.975 0 40 IHAB Cc1cccc(-c2nnc(S)n2CC(=O)N2CCC(N3c4ccccc4C[C@H]3C)CC2)c1 40135630 GHRKHNKUDKEAEN-GOSISDBHSA-N 447.608 3.984 0 40 IHAB O=C(Nc1cccc(I)c1)[C@@H]1CCCN1C(=O)NC1CCCCC1 40149010 GDDMNDWHACXHMG-INIZCTEOSA-N 441.313 3.736 0 40 IHAB Cc1cc(C)n(-c2cccc(NC(=O)C3CCN(S(=O)(=O)c4ccccc4)CC3)c2)n1 48332228 CDXAZFRDXDYQNZ-UHFFFAOYSA-N 438.553 3.529 0 40 IHAB C[C@H]1C[C@H](C)CN(c2cc3c(cc2F)c(=O)c(S(=O)(=O)c2ccccc2)cn3C)C1 49421540 JXJWNUYMBBNJTQ-HOTGVXAUSA-N 428.529 3.993 0 40 IHAB CCCc1nnc2c(=O)n(CC(=O)Nc3cc(Cl)ccc3Cl)c3ccccc3n12 57522652 DYTWMSLIEJOUKZ-UHFFFAOYSA-N 430.295 3.942 0 40 IHAB COc1cccc(CSc2nnc3c(=O)n(-c4ccc(Br)cc4)ccn23)c1 64593861 HWGKBPSMUJBRKK-UHFFFAOYSA-N 443.326 3.944 0 40 IHAB O=C(Nc1nnc(C2CCCCC2)s1)[C@@H](Cc1ccccc1)NC(=O)N1CCCC1 71333907 QWVBSYYTCULGRY-GOSISDBHSA-N 427.574 3.941 0 40 IHAB O=C(Nc1ccn(Cc2cccc3cccnc23)n1)c1cccn(Cc2ccccc2)c1=O 71845440 JSFRYJPOTRHMOC-UHFFFAOYSA-N 435.487 3.942 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1[C@H](NS(=O)(=O)c1cncc(F)c1)C(F)(F)F 72307502 QUWDCCXDLVRVMP-KRWDZBQOSA-N 428.411 3.605 0 40 IHAB CNc1cc([C@H]2CC(=O)N(Cc3ccccc3)C2)nc(CN(C)Cc2ccccc2OC)n1 72391885 ZPCRXFOYKKKYML-NRFANRHFSA-N 445.567 3.675 0 40 IHAB CC[C@H]1CN(C)c2ccccc2CN1C(=O)CCS(=O)(=O)c1ccc2c(c1)CCC2 79070698 MWLGESVBQKRABX-NRFANRHFSA-N 426.582 3.596 0 40 IHAB O=C(C1CC1)N1CCc2nc3cc([C@H]4CCCCN4Cc4cccs4)nn3c(O)c2C1 100233927 CSMUYOWCZFAHRF-HXUWFJFHSA-N 437.569 3.518 0 40 IHAB COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cc(Cl)cc(OC)c3OC(C)C)C2=O)o1 107900494 DHJXNEHLKKACHP-OVCLIPMQSA-N 448.859 3.608 0 40 IHAB CCOc1ccccc1NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCCCC2)c1 113939707 JLGLMUUDXBTGLX-UHFFFAOYSA-N 432.542 3.911 0 40 IHAB CC[C@@H](NC(=O)[C@H](C)Oc1ccc(Br)cc1)c1ccc(S(C)(=O)=O)cc1 219690897 UFBHSSOVBFBNSA-SCLBCKFNSA-N 440.359 3.887 0 40 IHAB COc1ccc(N([C@H](C)C(=O)N[C@@H](CC(C)C)c2ccccc2)S(C)(=O)=O)cc1OC 220242030 BUALIQFRDLSDET-XLIONFOSSA-N 448.585 3.762 0 40 IHAB Cc1ccc(C)c(N([C@@H](C)C(=O)Nc2nnc(SCC(C)C)s2)S(C)(=O)=O)c1 222707688 RQOOSUMRTBBSBF-AWEZNQCLSA-N 442.632 3.696 0 40 IHAB CC[C@H](C(=O)NCCOc1cc(C)cc(C)c1)N(c1cccc(Cl)c1)S(C)(=O)=O 224086739 ICKGLZMMMYZCOM-HXUWFJFHSA-N 438.977 3.697 0 40 IHAB CC(=O)Nc1cccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3F)c2)c1 224162206 QLYSNWNGRIUOPG-UHFFFAOYSA-N 441.484 3.862 0 40 IHAB COc1ccccc1OCC(=O)N(Cc1ccccc1F)[C@H](C)C(=O)NC1CCCC1 224672793 ZESARZSQFVDAMX-QGZVFWFLSA-N 428.504 3.689 0 40 IHAB CCOC(=O)c1cc(N(CC(=O)OC)S(=O)(=O)c2ccc(Cl)cc2)ccc1Cl 224720701 ITHSYFDFKKORPH-UHFFFAOYSA-N 446.308 3.538 0 40 IHAB CCCSc1nnc(NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)s1 225526275 PPNWEEILNBKJAK-UHFFFAOYSA-N 428.605 3.568 0 40 IHAB Cc1nnc2ccc(-c3ccc(NC(=O)c4cc(OCc5ccccc5)ncn4)cc3)nn12 225534846 DBKPJXMHUQZBPP-UHFFFAOYSA-N 437.463 3.721 0 40 IHAB COc1cc(CNC(=S)Nc2ccc(N3CCCC3=O)c(C)c2)cc(OC)c1OC 225574212 UWFRAJLUGDSJDD-UHFFFAOYSA-N 429.542 3.634 0 40 IHAB C[C@@]1(C(=O)Nc2ccc(OC(F)(F)F)cc2)CCCN(c2ccccc2)S1(=O)=O 225951170 YNSIOLXRVIDVEM-SFHVURJKSA-N 428.432 3.913 0 40 IHAB CC(=O)N1CCc2nc3cc([C@@H]4CCCCN4C[C@H](C)c4ccccc4)nn3c(O)c2C1 247923307 HSVQOCLFQBBCCN-SBUREZEXSA-N 433.556 3.670 0 40 IHAB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H](C(=O)c2ccccc2)N2N=Cc4ccccc4[C@@H]32)cc1 248076515 BNCRVEMSACYJEW-UARRHKHWSA-N 435.483 3.757 0 40 IHAB CC1(C)Oc2c(O)cccc2[C@@H]2O[C@@H]3CCN(Cc4ccccc4OCC(=O)O)[C@H]3C[C@H]21 257244769 IMROCMINRZZZOO-JHBZICRXSA-N 439.508 3.747 0 40 IHAB Cc1nn([C@H](C)CC(=O)N2CCNC(=O)[C@H]2Cc2ccc(-c3ccccc3)cc2)c(C)c1C 257267271 MGOXZFBGCHACJU-IQGLISFBSA-N 444.579 3.996 0 40 IHAB O=C1CCCC[C@]2(CN(Cc3ccnc(N4CCCCC4)n3)C[C@H]2c2ccc(F)cc2)N1 257269113 MOPRYSXIJKNRSE-WIOPSUGQSA-N 437.563 3.634 0 40 IHAB Cc1cc(Nc2nc(C)cc(C)n2)cc([C@@H]2CN(C(=O)COc3ccccc3)CCO2)n1 257303957 SJMCPZJZAXAXDN-QFIPXVFZSA-N 433.512 3.519 0 40 IHAB CN1c2ccccc2N(C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)S1(=O)=O 390829860 HCLJLBWEFNBUIS-UHFFFAOYSA-N 439.459 3.511 0 40 IHAB COc1ccc(S(=O)(=O)NCCCOC(C)C)cc1NC(=O)c1ccc(Cl)cc1 408558643 SIKMGXNMIVZVHO-UHFFFAOYSA-N 440.949 3.694 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(F)c2)C1 408590673 KHXRPGISBVUQMF-CYBMUJFWSA-N 426.897 3.527 0 40 IHAB O=Cc1ccc(-c2ccc(Cl)c(C(=O)OCC(=O)Nc3ccc4nc(O)[nH]c4c3)c2)o1 408599123 FCRUEAYYMAWWDC-UHFFFAOYSA-N 439.811 3.790 0 40 IHAB CCc1ccccc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C)C=CC[C@H]3C2=O)cc1 408662123 MWSHROCVOYHJKN-YBVWCTEOSA-N 446.503 3.746 0 40 IHAB COCCn1c([C@@H](C)NC(=O)[C@H](C(C)C)N2Cc3ccccc3C2=O)nc2ccccc21 504693387 WPZSRZATXSVFMF-VGSWGCGISA-N 434.540 3.541 0 40 IHAB Cc1cc(S(=O)(=O)NC[C@@](O)(c2ccccc2)C2CCOCC2)c(Cl)cc1Cl 575613588 UIDDATWZJFAKHA-HXUWFJFHSA-N 444.380 3.895 0 40 IHAB CCC(=O)N1CCN(c2ccccc2OC)C(=O)[C@H]1Cc1ccccc1-c1ccncc1 585168848 DBLKVXXBDJBPLZ-HSZRJFAPSA-N 429.520 3.954 0 40 IHAB C[C@]1(O)CCN(C(=O)COc2ccc(F)c(Cl)c2)C[C@@H]1Oc1ccc(Cl)cc1 585262218 FUHLVINQIXWUKD-ICSRJNTNSA-N 428.287 3.942 0 40 IHAB C[C@@H]1CN(C(C)(C)CNc2nc(C(F)(F)F)nc3cc4c(cc23)OCO4)C[C@@H](C)O1 1615566494 FEQIXZSVUICLHH-VXGBXAGGSA-N 426.439 3.677 0 40 IHAB COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@H](Oc1cccc(Cl)c1Cl)c1ccccc1 1652703506 ZFWNCXHEUIAMQE-VQIMIIECSA-N 448.306 3.737 0 40 IHAB CN1C(=O)[C@]2(CCCN(C(=O)c3cc(-c4ccccc4)no3)C2)C[C@@H](O)[C@@H]1c1ccccc1 2037873379 FZDPJRFCBMYSFW-VIICAESSSA-N 445.519 3.528 0 40 IHAB Cc1c(NC2=C(Cl)C(=O)N(c3ccccc3Cl)C2=O)c(=O)n(-c2ccccc2)n1C 934339 HGMKIEWRWGHMGW-UHFFFAOYSA-N 443.290 3.574 0 40 IHAB O=C(O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCN(c2nc(-c3ccccc3)c3ccccc3n2)CC1 1244916 LIGOIMAYYOHCSW-VQTJNVASSA-N 442.519 3.612 0 40 IHAB COc1cc(C)cc2oc(=O)c(CC(=O)N3CCC(C(=O)O)(c4ccccc4)CC3)c(C)c12 2119959 IQPXNVQVOQMUMN-UHFFFAOYSA-N 449.503 3.606 0 40 IHAB biogenic CCOC(=O)NC(=O)CSc1nnc(CSc2nc3ccccc3s2)n1CC 2634887 OAGNCYHQFHHYTB-UHFFFAOYSA-N 437.572 3.565 0 40 IHAB Cc1cccc(N2CCN(C(=O)c3nn(-c4ccccc4)c(=O)c4ccccc34)CC2)c1C 3436251 GQCAVAAGRTYWIH-UHFFFAOYSA-N 438.531 3.965 0 40 IHAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3nnc(C4CC4)s3)c2)cc1 3552811 WJBMCCTUCXAWDQ-UHFFFAOYSA-N 428.539 3.801 0 40 IHAB O=C(N[C@H](Cc1ccccc1)C(=O)Nc1cccc(N2CCCC2=O)c1)c1ccccc1 8728343 UMSNCVRVVBIZDW-HSZRJFAPSA-N 427.504 3.793 0 40 IHAB COc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCO)ccc1OCC(C)C 8869382 PRJJPLQKKGHBNC-JOCHJYFZSA-N 437.492 3.764 0 40 IHAB CCCNc1nc(SC)nc2c1cnn2CCNC(=O)c1ccccc1C(F)(F)F 8940568 DOGFMZUAZQBAJD-UHFFFAOYSA-N 438.479 3.819 0 40 IHAB COc1ccc(C(=O)N(Cc2ccc(-c3ccc(F)cc3)o2)[C@@H]2CCS(=O)(=O)C2)cc1 9045937 VLOBXWLJXQEEEV-LJQANCHMSA-N 443.496 3.924 0 40 IHAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)C2(CC(=O)NC(C)(C)C)CCCC2)c1C 9254187 JWNGQCLROCCKJK-INIZCTEOSA-N 448.560 3.788 0 40 IHAB Cc1cc(NC(=O)CN(CCC(C)C)S(=O)(=O)c2cccc(C(F)(F)F)c2)no1 9549211 GBUXPUDSSLWZMG-UHFFFAOYSA-N 433.452 3.677 0 40 IHAB Cc1ccc(-c2n[nH]c(SCC(=O)Nc3sc4c(c3C(N)=O)CC[C@@H](C)C4)n2)cc1 9669642 WCWNAHHQSBEVGH-GFCCVEGCSA-N 441.582 3.796 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCc3ccc(NS(=O)(=O)c4ccccc4)cc32)cc1 9708660 UNTAKJYKGZCYHR-UHFFFAOYSA-N 442.562 3.937 0 40 IHAB CN(Cc1ccc2c(c1)OCO2)C(=O)Cn1cnc2scc(-c3cccs3)c2c1=O 9724758 HCFGZBHNVGQYCQ-UHFFFAOYSA-N 439.518 3.574 0 40 IHAB Cc1cc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@](C)(c4cc5ccccc5o4)C3=O)c2C)no1 9781386 HFVBOAVFZKRITP-DEOSSOPVSA-N 446.463 3.787 0 40 IHAB Cc1ccc(-n2ncc3c(=O)n(NC(=O)c4ccccc4C(F)(F)F)cnc32)cc1C 10252078 YYQVMTVGEAGOEY-UHFFFAOYSA-N 427.386 3.602 0 40 IHAB CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cccc(SC)c4)ccn3n2)cc1 12414485 QVBNIJMYMGZPLM-UHFFFAOYSA-N 434.521 3.922 0 40 IHAB CCOc1ccc(NCC(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 12536633 JBIIZQZCFFBXNP-UHFFFAOYSA-N 431.558 3.701 0 40 IHAB Cc1cc(Br)cc(Cl)c1OCC(=O)NCc1ccc(-n2cccn2)nc1 12549379 JDOCSWHWFAJUOZ-UHFFFAOYSA-N 435.709 3.687 0 40 IHAB CC(C)(C)c1ccc(C(=O)Nc2ccccc2-c2nnn(CC(=O)NC3CCCC3)n2)cc1 12638824 KVHOTNPBAWBQSA-UHFFFAOYSA-N 446.555 3.949 0 40 IHAB C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1cccc(Cl)c1 13002601 QCMARTFMRMNDNC-CYBMUJFWSA-N 443.352 3.505 0 40 IHAB COc1cccc([C@H]2CC(=O)Nc3nc(SCc4ccc(C)cc4)[nH]c(=O)c32)c1OC 13567264 FVOBLTZPHCTKMI-MRXNPFEDSA-N 437.521 3.862 0 40 IHAB Cc1ccc(CNC(=O)c2ccc(N3C(=O)[C@H]4Cc5ccccc5CN4C3=O)cc2)cc1 16033948 DDTNRFYYDXPQBX-HSZRJFAPSA-N 425.488 3.819 0 40 IHAB Cc1ccccc1CN1CCN(C(=O)CSc2nc(-c3ccc(Cl)cc3)n[nH]2)CC1 19317236 PMUPUXUZKZFLQQ-UHFFFAOYSA-N 441.988 3.870 0 40 IHAB CC[C@H](Oc1ccccc1F)C(=O)N1CCC(c2nc(-c3nccs3)cc(=O)[nH]2)CC1 19499369 PPRDYBSMLWSVFK-KRWDZBQOSA-N 442.516 3.596 0 40 IHAB CCNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)Cc2cccnc2)C1 19528927 CUNYMGDEHGABGS-VWLOTQADSA-N 433.577 3.950 0 40 IHAB COc1ccc(OC)c([C@@H](c2nnnn2C2CCCC2)N2CCN(c3ccccc3)CC2)c1 19551203 SBUXWFCQUBSXSX-DEOSSOPVSA-N 448.571 3.717 0 40 IHAB COc1cccc(CN2CCNC(=O)[C@@H](Cc3ccccc3-c3cccnc3)C2)c1OC 19568003 MGKDQWARDADZLJ-QFIPXVFZSA-N 431.536 3.557 0 40 IHAB Cc1cc(C)nc(NCCC(=O)N2CCO[C@H](c3ccc(Cc4ccc(F)cc4)cn3)C2)n1 19692277 TUYOUFXRYMEJSP-QHCPKHFHSA-N 449.530 3.620 0 40 IHAB Cc1nc([C@H]2CCN(C(=O)c3ccccc3)C2)nc2c1CCC(=O)N2CCc1ccccc1 19738975 QVNVPXREULRJES-QFIPXVFZSA-N 440.547 3.937 0 40 IHAB O=C(Nc1ccc(F)cc1F)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2Cl)C1 19859840 AKHRSFIYTIWCNO-ZDUSSCGKSA-N 428.888 3.799 0 40 IHAB Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(F)c(F)c2F)cc1 19930899 HNFGFTWOXOAHJH-LJQANCHMSA-N 448.466 3.941 0 40 IHAB COc1cccc2c([C@H](C(=O)O)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c[nH]c12 20726532 TZCMVLHUXVKZHM-LJQANCHMSA-N 434.418 3.538 0 40 IHAB Cc1nn2c(ncc3c(=O)n(-c4ncccn4)ccc32)c1-c1ccc(Br)cc1 20730262 ZEOWOGPUQZHXOC-UHFFFAOYSA-N 433.269 3.561 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(OS(=O)(=O)c3ccccc3)cc2)cc1C 21820797 NOSLXYXFIOJDLI-UHFFFAOYSA-N 431.535 3.896 0 40 IHAB CCN(CC)C(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 22274338 DNBVFTJCOLQCNV-UHFFFAOYSA-N 425.348 3.513 0 40 IHAB CCCOc1ccccc1CCCNC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 22340654 XLCZWKJAOYAGSU-UHFFFAOYSA-N 432.586 3.607 0 40 IHAB COc1ccc(C)c2sc(N(CCN3CCOCC3)C(=O)Cc3ccc(F)cc3)nc12 22998715 YYYJQAPQQSLIKG-UHFFFAOYSA-N 443.544 3.660 0 40 IHAB CCCn1c(=O)c2cc(F)ccc2n2c(SCC(=O)Nc3ccc(Cl)cc3)nnc12 23126666 OLWFHQXFAJXQFC-UHFFFAOYSA-N 445.907 3.978 0 40 IHAB COc1ccc(OC)c(CNC(=O)c2cccc(S(=O)(=O)Nc3cccc(C)c3)c2)c1 25834130 SROAOORKUSVZKI-UHFFFAOYSA-N 440.521 3.743 0 40 IHAB Cn1c(=O)c2ccccc2n2c(CNc3cccc(OCc4ccc(F)cc4)c3)nnc12 26787816 AWCMPSZIRAGUTE-UHFFFAOYSA-N 429.455 3.911 0 40 IHAB Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)NCc3ccccc3Cn3cccn3)c12 27810804 QILJZIMOGTUEMI-UHFFFAOYSA-N 426.480 3.712 0 40 IHAB COc1ccccc1CNC(=O)Cn1nc(C(F)(F)F)c(Br)c1C1CC1 27937539 RPTOCFCXCGCYGB-UHFFFAOYSA-N 432.240 3.867 0 40 IHAB COC(=O)c1cc(-c2csc(NC(=O)c3ccc(OCC(F)(F)F)nc3)n2)c[nH]1 29872886 JMPSUDOZKGZIGP-UHFFFAOYSA-N 426.376 3.513 0 40 IHAB O=C(O)[C@@H](c1c[nH]c2ccc(Br)cc12)N1CCN(Cc2cccs2)CC1 32103143 YDFXSCCQVKGTOK-GOSISDBHSA-N 434.359 3.935 0 40 IHAB CCn1c(SCC(=O)Nc2ccc(C)cc2F)nnc1[C@@H](C)NC(=O)c1ccco1 32579619 MEYPOWAUWKTUSL-CYBMUJFWSA-N 431.493 3.560 0 40 IHAB CCc1ccc(S(=O)(=O)NC[C@@H](c2ccccc2)S(=O)(=O)c2cccs2)cc1 33326408 ITVLJMDVOJANTD-IBGZPJMESA-N 435.592 3.804 0 40 IHAB COc1ccccc1C(=O)NC(=S)N1CCCC2=C[C@@H]3C[C@@H](CN4CCCC[C@H]34)[C@@H]21 33925947 SWRZRJWUJZJRRD-BAYUQKDNSA-N 425.598 3.605 0 40 IHAB COc1cc(Cl)c(/C=C2\SC(=O)N(CC(=O)N3CCCCCC3)C2=O)cc1OC 35105526 ZTGMMBYGXCJTBY-YVLHZVERSA-N 438.933 3.796 0 40 IHAB COc1ccc([C@H](CC(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)NC(C)=O)cc1 40033957 IVKIGMYPMRADKT-YWZLYKJASA-N 430.574 3.590 0 40 IHAB COC(=O)c1c(NC(=O)c2cc3sccc3n2Cc2ccccc2F)c(C)nn1C 44893352 WQYXYMBJGXXXES-UHFFFAOYSA-N 426.473 3.971 0 40 IHAB Cc1cc(C)cc(N(C)C(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)c1 48300115 WYPMYOZSBKBPIV-UHFFFAOYSA-N 432.450 3.639 0 40 IHAB O=C([C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1)N1CCc2ccccc21 57352550 SATUNNCZIZJGCO-HSZRJFAPSA-N 436.508 3.531 0 40 IHAB Cc1ccc(Cl)cc1-n1ncc2c(=O)n(CC(=O)Nc3ccc(F)cc3Cl)cnc21 57428312 BVEQEDNWZJRHAX-UHFFFAOYSA-N 446.269 3.975 0 40 IHAB Cc1cccc(NC(=O)CSc2nc3cc4c(cc3c(=O)n2Cc2ccco2)OCO4)c1 57504660 VSGPNVFKNNSHAM-UHFFFAOYSA-N 449.488 3.806 0 40 IHAB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NCc1ccccc1 59444085 MFEZPOHHVRKOFQ-UHFFFAOYSA-N 442.968 3.890 0 40 IHAB CCOC(=O)C[C@H](c1ccc(-c2nc3ccccc3s2)o1)c1oc(CO)cc(=O)c1O 71282960 CCSIWCZNIMYICF-CYBMUJFWSA-N 441.461 3.793 0 40 IHAB CS(=O)(=O)c1ccc(Br)c(C(=O)NCCSCc2ccccc2)c1 72270975 YVZTXDQBQWMMGK-UHFFFAOYSA-N 428.373 3.516 0 40 IHAB O=C(OCCNc1ncnc2ccccc12)c1cccc(S(=O)(=O)Cc2ccccc2)c1 72310716 CMFSHFWYVDNNKV-UHFFFAOYSA-N 447.516 3.873 0 40 IHAB Cn1cc(CN2CCC[C@H]([C@H](NC(=O)[C@@H]3CCCO3)c3ccccn3)C2)c2ccccc21 72330578 BJNYRELVDANSQB-LQGLAIQGSA-N 432.568 3.822 0 40 IHAB Cc1cc2ccccc2n1CC(=O)N1CCC[C@@H](c2cc(C(F)(F)F)n3ncnc3n2)C1 72393672 WPGZRSLEKSCWDA-MRXNPFEDSA-N 442.445 3.812 0 40 IHAB O=C([C@@H]1CC=CCC1)N1CCC(c2nc3c(c(=O)[nH]2)CN(CC2CCCCC2)CC3)CC1 72398730 XOQOPORNMUGRIT-OAQYLSRUSA-N 438.616 3.771 0 40 IHAB CCS(=O)(=O)Nc1cccc(C2=NN(C(=O)c3ccco3)[C@H](c3cccc(O)c3)C2)c1 89274558 OSRIRUMKKLFLLQ-FQEVSTJZSA-N 439.493 3.738 0 40 IHAB CCC(CC)[C@H](C(=O)NCc1ccc(Cn2cnc3ccccc32)cc1)N1CCOCC1 95401836 GXKOOSQPRDQQTD-RUZDIDTESA-N 434.584 3.838 0 40 IHAB COc1ccc(CCNC(=O)c2ccc(CSc3nc(C)cc(C)n3)o2)cc1OC 95476172 ODQHLYOVNFRIEB-UHFFFAOYSA-N 427.526 3.968 0 40 IHAB CCS(=O)(=O)C(Br)(Br)C(=O)c1ccc(Br)cc1 96518481 HOPYTMLOVMROCH-UHFFFAOYSA-N 448.958 3.510 0 40 IHAB CCCc1cc(=O)oc2cc(OCC(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)c(Cl)cc12 100766152 ANRNHWFSFUVGGK-OKILXGFUSA-N 435.904 3.785 0 40 IHAB COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccc(OC)cc2)cc1 100830237 FBYKKEJUYQCEDB-VJBWXMMDSA-N 448.450 3.894 0 40 IHAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCS[C@H](c3cc(F)ccc3F)CC2)cc1 219318004 SZBKLGSHPBTAQG-IBGZPJMESA-N 440.537 3.536 0 40 IHAB CCc1ccc(N(CCCC(=O)NCCSCc2ccccc2)S(C)(=O)=O)cc1 222640777 ACLFTCRKLLUFNN-UHFFFAOYSA-N 434.627 3.845 0 40 IHAB CN(C(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)c1ccc(F)cc1 222720301 CMMLRRARINOIIP-UHFFFAOYSA-N 440.496 3.619 0 40 IHAB CN(c1ccc(F)cc1)S(=O)(=O)c1cccc(C(=O)NCCSCc2ccco2)c1 224170701 QHPIXDVIFOHPNP-UHFFFAOYSA-N 448.541 3.907 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(Cl)cc2C)cc1Br 224881990 MBVVQFKARQUBHP-UHFFFAOYSA-N 448.722 3.699 0 40 IHAB COC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc2ccccc2c1 225046237 RRVDIQCHWJAOHJ-UHFFFAOYSA-N 434.311 3.971 0 40 IHAB CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(CC)cc1 225414520 FCTUGGJKTXNGIX-QHCPKHFHSA-N 426.557 3.970 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)c(C)c1 225520938 OAJGTXFHBWKFIY-LJQANCHMSA-N 444.553 3.520 0 40 IHAB Cc1cccc(CNC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1 226026750 ZILVFNXQIOIMLA-UHFFFAOYSA-N 426.513 3.641 0 40 IHAB O=C1CCC[C@@H]2[C@@H](CCN2C(=O)c2ccccc2Cn2cccn2)N1Cc1ccccc1 257224537 FCFHVLMYUDGASY-DNQXCXABSA-N 428.536 3.727 0 40 IHAB CN(C)CCOc1ccc(C(=O)N2[C@@H](Cc3ccccc3)C[C@H]3NCCCCC[C@@H]32)cc1 257234676 GUPQNEUIKRFJIU-DMDYGQEQSA-N 435.612 3.985 0 40 IHAB O=C(c1ccccc1Cn1ccnc1)N1CCC[C@]2(C[C@@H](Oc3cccc(F)c3)CO2)C1 257247682 JAAOCSXACYQCPM-RDGATRHJSA-N 435.499 3.913 0 40 IHAB CCn1c(=O)n(CC)c2cc([C@H]3OCC[C@@]45C[C@@H](C[C@H]34)C(C)(C)[C@H]5NC(C)=O)ccc21 257302302 SCKBOMQWRUBTJN-ZNNFVIKLSA-N 425.573 3.861 0 40 IHAB COc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1 260621937 PWJZKEYTBASKFR-WBVHZDCISA-N 436.961 3.627 0 40 IHAB CC(C)n1nccc1[C@@H]1CN(C(=O)c2ccoc2)C[C@]12CCCN(Cc1ccncc1)C2=O 306135139 OIYVZTTXTJLXCO-SQJMNOBHSA-N 447.539 3.501 0 40 IHAB C[C@@H]1CCCC[C@H]1NC(=O)c1ccc2nnc([C@H]3CN(Cc4ccccc4)CCN3C)n2c1 306138411 RXADJCCUFLBSCN-UEVCKROQSA-N 446.599 3.527 0 40 IHAB CC(C)COC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)NC2CCCCC2)cc1 408645346 KERYYRJMGZONSR-UHFFFAOYSA-N 446.544 3.600 0 40 IHAB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccccc1 408658962 VIIXASJPTRSXST-IDPBPBMLSA-N 436.895 3.611 0 40 IHAB COc1cccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3cccc(C)c3)[C@H]2c2ccc(Cl)cc2)c1 409054362 JFWZJHMWMWGZSE-LMOLPZMTSA-O 448.930 3.673 0 40 IHAB CCCOc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3c(C)cccc3CC)CC2=O)cc1 409170317 VFGBEHNRCZFDKU-LJQANCHMSA-N 438.524 3.881 0 40 IHAB O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)Nc1ccc(Cl)cc1 409191006 YEHWOVUQSUSPQB-UHFFFAOYSA-N 430.913 3.836 0 40 IHAB O=C(c1cccnc1Nc1cccc(C(F)(F)F)c1)N1CCC(c2nc(O)n[nH]2)CC1 535838755 FNDWICSAWIXJBY-UHFFFAOYSA-N 432.406 3.688 0 40 IHAB Cc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H](c2ccccc2Cl)S(=O)(=O)CC1 575414854 LYKRXJYRYFRZEU-QGZVFWFLSA-N 448.393 3.852 0 40 IHAB O=C(NC[C@H]1CCN(c2cccc(Br)c2)C1)N1CCC[C@H](n2ccnc2)C1 590861023 GINMVXJCWLBINU-APWZRJJASA-N 432.366 3.519 0 40 IHAB Cc1cnc(Nc2cccc([C@H]3CN(C(=O)CCn4cnc5ccccc54)CCO3)n2)s1 2037834456 GJBXZTBZFIZHBR-HXUWFJFHSA-N 448.552 3.930 0 40 IHAB CCn1c(O)c(C(=O)Nc2ccc(I)cc2)c(=O)c2ccccc21 637850 NEDVLESGCBVNHO-UHFFFAOYSA-N 434.233 3.584 0 40 IHAB CC(C)CC(=O)NC(=S)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1 1268815 GQWVHSCNIBMWJX-UHFFFAOYSA-N 430.599 3.570 0 40 IHAB Cc1cccc2cc(CN(Cc3ccc(F)cc3)C(=O)c3cccnc3)c3nnnn3c12 1376784 JPCOFWWTHRBXCV-UHFFFAOYSA-N 426.455 3.963 0 40 IHAB CN(C)C[C@H]1CCCC[C@H](CN(C)C)C1OC(=O)C(O)(c1ccccc1)c1ccccc1 1717445 NHDUKTKAHCJFPJ-FGZHOGPDSA-N 438.612 3.764 0 40 IHAB CCOc1ccccc1-n1nnnc1S[C@@H](C)C(=O)Nc1ncc(Cl)cc1Cl 3533482 MLZBNQAKHDHWLA-JTQLQIEISA-N 439.328 3.882 0 40 IHAB CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)CC)N3CCC(C)CC3)cc2c1 6149206 XCAVRGRPYAWQSC-OAQYLSRUSA-N 438.576 3.880 0 40 IHAB COc1ccccc1CNS(=O)(=O)c1ccc(NC(=O)c2ccccc2F)c(F)c1 8810743 VLHYBMHDHVBMKF-UHFFFAOYSA-N 432.448 3.704 0 40 IHAB Cc1ccc(NC(=O)C2c3ccccc3-c3ccccc32)cc1S(=O)(=O)N1CCOCC1 8849472 CWZJBBJQLNBUBT-UHFFFAOYSA-N 448.544 3.767 0 40 IHAB COc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccccc3F)c3ccccc32)c(OC)c1 8994205 AFESATRLYNGJMQ-RUZDIDTESA-N 435.451 3.850 0 40 IHAB COc1cc([C@H]2N=C(O)c3c(sc4c3CCN(C)C4)N2)cc(Br)c1OC 9186661 IHUCTIGFIGRWBE-INIZCTEOSA-N 438.347 3.945 0 40 IHAB COC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1nnc(Nc2cccc(C)c2)s1 9338598 OKFPXKABPNHLPS-KRWDZBQOSA-N 442.566 3.583 0 40 IHAB COc1ccccc1/C=C/c1nc(S(=O)(=O)c2ccccc2)c(NCCN(C)C)o1 9410188 JGTGNSRHAUKYAO-BUHFOSPRSA-N 427.526 3.660 0 40 IHAB COc1ccc(-n2nnnc2SCC(=O)N(C)[C@@H](C)c2nc3ccccc3s2)cc1 9513428 NZPFAJOTKNEQSM-ZDUSSCGKSA-N 440.554 3.592 0 40 IHAB CS(=O)(=O)N1CCCc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc21 9569470 PBRQLEUOZWHZGJ-UHFFFAOYSA-N 429.325 3.723 0 40 IHAB COc1cccc(C(=O)CSc2nnc(CC(=O)Nc3ccc(C)c(Cl)c3)n2C)c1 9582683 NQJFBXNAZRKBCS-UHFFFAOYSA-N 444.944 3.942 0 40 IHAB O=C1O[C@H](c2ccccc2)Cc2cc(C(=O)N3CCN(C(=O)c4cccs4)CC3)ccc21 9671917 RAOXSNKLZBNDNR-NRFANRHFSA-N 446.528 3.801 0 40 IHAB COc1cc2ncn(CCCC(=O)N(C)Cc3ccccc3Cl)c(=O)c2cc1OC 10745905 HXAUUXZNUCOEPO-UHFFFAOYSA-N 429.904 3.506 0 40 IHAB CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2cccc3ccccc23)c1 11340904 CRMSBNKWULQPBW-UHFFFAOYSA-N 446.912 3.539 0 40 IHAB C[C@H]1CCC[C@H](C)N1C[C@H](O)COc1ccc(OC[C@H](O)CN2[C@@H](C)CCC[C@@H]2C)cc1 11582542 ODYINPFMZIJYIN-FOZARLDVSA-N 448.648 3.692 0 40 IHAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 12200190 ZPNPRCOHNFXSQJ-UHFFFAOYSA-N 436.489 3.720 0 40 IHAB CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)c3ccc(=O)n(C)c3)cc2n1 12230439 SOLUKZDLSSUYBA-INIZCTEOSA-N 433.434 3.548 0 40 IHAB CCc1nc2sc([C@@H](c3ccc(Cl)cc3Cl)N3CCC(O)CC3)c(O)n2n1 12341977 IVWNHOCAJKSDJG-OAHLLOKOSA-N 427.357 3.912 0 40 IHAB CN(C(=O)CSc1nc(-c2ccccc2)n[nH]1)c1ccccc1C(=O)NCc1ccco1 12623548 XOEIRNCOSMYCLH-UHFFFAOYSA-N 447.520 3.750 0 40 IHAB O=C(OCc1nnc(-c2ccccc2)o1)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 12789052 DMPIDAZCWYSIOX-YZOPDKEQSA-N 435.524 3.987 0 40 IHAB COC(=O)[C@@H](CC(=O)c1ccc(OC)c(OC)c1)c1cc(=O)oc2c(C)c(OC)ccc12 12898864 COHASGAPJGYRNE-KRWDZBQOSA-N 440.448 3.657 0 40 IHAB biogenic O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCC3)NCc1ccc(OC(F)(F)F)cc1 12928367 CCPCFHUGDDLASH-UHFFFAOYSA-N 437.443 3.621 0 40 IHAB COc1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CCc3ccccc3C2)c(OC)c1 13496253 FCFKOBKGDYXNAE-VWLOTQADSA-N 441.535 3.886 0 40 IHAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(Cl)c2C)C1 13580673 PCBANDXSLNLKCZ-CQSZACIVSA-N 440.924 3.836 0 40 IHAB COc1ccc(S(=O)(=O)NCCSCc2ccccc2F)cc1Br 13613716 JLKGAIIKNPVHET-UHFFFAOYSA-N 434.352 3.809 0 40 IHAB CS(=O)(=O)N1CCC(C(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)CC1 13704763 UZUCHIVSYMFMKZ-UHFFFAOYSA-N 440.399 3.789 0 40 IHAB Cc1cc(S(=O)(=O)N(C)C)cc(NS(=O)(=O)c2cccc(Cl)c2Cl)c1C 14870112 MMSIPHDGIUZZRD-UHFFFAOYSA-N 437.370 3.661 0 40 IHAB CC(C)C(=O)N1CCC(c2nc(O)cc([C@H]3CCCN(C(=O)[C@@H]4CC=CCC4)C3)n2)CC1 19085260 ZCBDAZIQPZBEIM-UXHICEINSA-N 440.588 3.607 0 40 IHAB Cc1ccc(-c2ccc(C[C@@]3(C(N)=O)CCCN(C(=O)CCn4nccc4C)C3)cc2)cc1 19212366 CFSQYOWNGODTBU-MHZLTWQESA-N 444.579 3.894 0 40 IHAB Cc1ccc2[nH]c([C@H]3CCCN(C(=O)CN4C(=O)CSC4=O)C3)c(-c3ccncc3)c2c1 19220244 YCQDLCOCFNLXFE-KRWDZBQOSA-N 448.548 3.940 0 40 IHAB Cc1cnccc1-c1cnc(N(C)C)nc1[C@H]1CCCN1C(=O)CCc1c(C)noc1C 19239811 VRXQCBLCIOWXIQ-OAQYLSRUSA-N 434.544 3.814 0 40 IHAB CCc1cc(C(F)(F)F)nc([C@@H]2CCN(C(=O)c3cccc(Cn4ccnc4)c3)C2)n1 19522564 OLPZSGDZPIMRFV-QGZVFWFLSA-N 429.446 3.932 0 40 IHAB CC(=O)Nc1ccc(Oc2cc(C)nc([C@H]3CCCN(C(=O)c4cnccn4)C3)c2)cc1 19570358 RTGHKAONFQHFBW-SFHVURJKSA-N 431.496 3.951 0 40 IHAB CNc1nc(C)c(C(=O)N2CCC[C@@H]2c2nc(C)ncc2C(=O)NC2CCCCC2)s1 19766842 IGZYTWIRTWCETG-QGZVFWFLSA-N 442.589 3.631 0 40 IHAB COc1ccc(CC(=O)Nc2sc3c(c2C(=O)NC[C@H]2CCCO2)CCCC3)cc1 21895371 CIKOBHAMFYXQHO-QGZVFWFLSA-N 428.554 3.726 0 40 IHAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N1CCN(CCOc2ccccc2)CC1 23787366 MCUZHGRSJYYMDC-UHFFFAOYSA-N 442.922 3.810 0 40 IHAB CCOC(=O)C1=C(CN(C)C2CCCCC2)NC(=O)N[C@@H]1c1ccccc1OC(F)F 28892013 KJSYLALSOOWMQO-LJQANCHMSA-N 437.487 3.724 0 40 IHAB Cc1cc(N2CCN(CC(=O)N(Cc3ccccc3)Cc3ccco3)CC2)nc(C(C)C)n1 29632044 IOCRQDQFEFGDTO-UHFFFAOYSA-N 447.583 3.852 0 40 IHAB CN1CCN(c2ccc(CNC(=O)N[C@H](Cc3ccccc3)c3ccccc3)cn2)CC1 29733092 FJLRUUQIBLNWRG-XMMPIXPASA-N 429.568 3.617 0 40 IHAB O=C(c1cccc(O)c1)N1N=C(c2cccc(Br)c2)C[C@@]1(O)C(F)(F)F 32101370 IIVWTGMLRYEZPF-MRXNPFEDSA-N 429.192 3.656 0 40 IHAB CCc1nn2c(=O)cc(COC(=O)c3oc4ccc(CCC(C)=O)cc4c3C)nc2s1 32774513 BMZDMJXZVDKSRI-UHFFFAOYSA-N 439.493 3.647 0 40 IHAB COc1ccccc1C1(CNC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)CCOCC1 38680290 PHAUYHIECZHNMY-FQEVSTJZSA-N 436.552 3.530 0 40 IHAB CC(C)n1nccc1NC(=O)[C@@H](C)N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 40135416 JXBBCMVTTKMTLF-CQSZACIVSA-N 433.940 3.501 0 40 IHAB Cc1ccc(C)c(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4cccc(Cl)c4)[nH]c(=O)c32)c1 40399416 ACRXNAZMDKCLHG-HNNXBMFYSA-N 437.887 3.848 0 40 IHAB CSc1ccc(-c2noc(Cn3c(=O)n(Cc4ccco4)c(=O)c4ccccc43)n2)cc1 44166665 VNDXRZHJGKAZMO-UHFFFAOYSA-N 446.488 3.625 0 40 IHAB CCN(CC)Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1 44946453 BCBYSURPHPVVEI-GOSISDBHSA-N 435.615 3.629 0 40 IHAB CCc1ccc(NC(=O)c2cn(CC(=O)NC3CCCCC3)c3nc(C)ccc3c2=O)cc1 49002164 XNSZOGVFXBJWEI-UHFFFAOYSA-N 446.551 3.969 0 40 IHAB CSc1cccc(NC(=O)Cn2c(=O)n(-c3ccccc3F)c(=O)c3sccc32)c1 57490499 DFCFVFSVFOLXOC-UHFFFAOYSA-N 441.509 3.714 0 40 IHAB CC(C)c1nnc2c(=O)n(CC(=O)Nc3ccc(Br)cc3)c3ccccc3n12 57522594 ONUUOQUFQLLSQZ-UHFFFAOYSA-N 440.301 3.569 0 40 IHAB COc1ccc(C)cc1NC(=O)Cn1c(=O)n(-c2cccc(C)c2C)c(=O)c2sccc21 67218503 HGBJBSUIJBUHFO-UHFFFAOYSA-N 449.532 3.786 0 40 IHAB CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc2c(s1)CCCCCC2 71795501 RQAOLZBNQHFCKE-UHFFFAOYSA-N 435.615 3.976 0 40 IHAB CC(C)N1CC[C@H](CCc2ccc(NC(=O)C3CCN(S(C)(=O)=O)CC3)cc2)[C@H](C)C1 72335291 UHZMWAUFEWHHNR-CTNGQTDRSA-N 449.661 3.596 0 40 IHAB Cc1cc(C(=O)N2CC[C@@H](c3cc(CCOc4ccccc4F)[nH]n3)C2)c2c(C)noc2n1 72371802 BZAWNBCGPJOOIC-MRXNPFEDSA-N 449.486 3.953 0 40 IHAB CCCn1c(=O)c2ccccc2n(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)c1=O 73679269 XIFSRHVCZPNMMG-UHFFFAOYSA-N 430.386 3.690 0 40 IHAB Cc1ccc(/C=C/S(=O)(=O)NCCc2csc3nc(-c4cccs4)nn23)cc1 77200705 HBPNESFEPSNNBT-FMIVXFBMSA-N 430.580 3.961 0 40 IHAB COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)N[C@@H]1c1ccoc1C(=O)OC 84677715 YBACMPQMGTZINI-OAHLLOKOSA-N 449.257 3.547 0 40 IHAB Cc1cc(=O)oc2cc(OCc3ccc(C(=O)N4CC[C@@H]5CCN(C)C[C@@H]54)cc3)ccc12 95995831 PHHBXESXRAPPAS-CVDCTZTESA-N 432.520 3.847 0 40 IHAB COc1ccc(NC(=O)c2ccc3nnc([C@H]4CCN(Cc5ccccc5)C4)n3c2)cc1 96156165 CGTUVWJURZYXNK-IBGZPJMESA-N 427.508 3.980 0 40 IHAB O=C(CN1CCc2nc(NC(=O)c3ccsc3)sc2C1)Nc1ccc(F)cc1F 96334111 ASGLSTWOCXWJKL-UHFFFAOYSA-N 434.493 3.732 0 40 IHAB C[C@H]1C[C@@H](C)CN(C(=O)[C@H](C)Sc2nnnn2-c2ccc(OC(F)(F)F)cc2)C1 105702944 HLOGUQHTYWHEKH-XQQFMLRXSA-N 429.468 3.546 0 40 IHAB CC(=O)O[C@@H]1C[C@]2(C)[C@@H](C(C)=O)CC[C@H]2[C@@H]2CC[C@@H]3CC4(CC(=O)[C@]3(C)[C@H]21)OCCO4 118917250 RUQBPCMPFRJFIH-YBBZEOCFSA-N 432.557 3.698 0 40 IHAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@@H](OC(C)=O)C(=O)O)[C@@]4(C)CC(=O)[C@@H]32)C1 123280462 UQDCTELYBPUWFG-DVMWFMJRSA-N 448.556 3.772 0 40 IHAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)N(C)Cc3ccc(Cl)cc3)CC2)c1 216268275 XZUJHMDFFCYXEZ-UHFFFAOYSA-N 434.989 3.849 0 40 IHAB COc1ccc(S(=O)(=O)NC(C)(C)Cc2ccccc2)cc1C(=O)N1CCC(C)CC1 222673439 UIWKYZYDIGEBLB-UHFFFAOYSA-N 444.597 3.867 0 40 IHAB COc1ccc(N(CCCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)S(C)(=O)=O)cc1 222989241 CMJRZFHTCBNOFY-SFHVURJKSA-N 444.597 3.998 0 40 IHAB C[C@H](NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1)c1ccc(F)cc1 223298001 OCDNGPSLNCDTTN-JTQLQIEISA-N 440.909 3.622 0 40 IHAB CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(Br)c(C)c1 223580568 VYDKOEUNGUHWHL-KRWDZBQOSA-N 447.373 3.998 0 40 IHAB COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1Cl 223768367 QUUHNUPVZUXRES-UHFFFAOYSA-N 428.297 3.873 0 40 IHAB O=C(Nc1nnc(S(=O)(=O)Nc2ccc(F)c(F)c2)s1)c1ccc(Cl)cc1 223894291 IPOWXJSUUKVQOO-UHFFFAOYSA-N 430.845 3.523 0 40 IHAB COC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(OC)cc1 224861321 AFLRIFKXDRMFMT-UHFFFAOYSA-N 437.823 3.736 0 40 IHAB CCN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccc(OC)c(Br)c1 224878647 GDGPIQJICOOZAP-UHFFFAOYSA-N 430.320 3.690 0 40 IHAB CSc1ccc(S(=O)(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)cc1NC(C)=O 225370228 MRLSDQPFYBFOFH-UHFFFAOYSA-N 446.554 3.546 0 40 IHAB CCn1nc2c(c1C(=O)N1CCNC(=O)[C@@H]1Cc1cccc(-c3ccccc3)c1)CCCC2 257201510 AHYFUJBOFNDRJK-DEOSSOPVSA-N 442.563 3.632 0 40 IHAB COc1cccc(O[C@H]2CCN(C(=O)COc3cc(C)c(Cl)c(C)c3)CC[C@@H]2O)c1 257250949 JORRCELWZLJDAM-SFTDATJTSA-N 433.932 3.775 0 40 IHAB CCN1CCN(C(=O)c2cnccn2)[C@H](Cc2cccc(-c3ccc(C)cc3C)c2)C1=O 257270908 MWDGNBAJWQUJKR-XMMPIXPASA-N 428.536 3.676 0 40 IHAB COCCC(=O)N[C@]1(C)C[C@@H](c2ccc(F)cc2)O[C@@H](c2ccc(S(C)(=O)=O)cc2)C1 257295310 QXVFLQZSFLRMNW-QZNHQXDQSA-N 449.544 3.733 0 40 IHAB Cc1cc(-c2cnc(C(C)C)nc2[C@H]2CC[C@H](CNC(=O)CN3CCCC3=O)CC2)on1 257344966 ZZKGBPUZBIDQKM-IYARVYRRSA-N 439.560 3.576 0 40 IHAB C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1ccc2c(c1)CCC2 260926550 JATFVZIVWBJXLN-JXFKEZNVSA-N 430.545 3.593 0 40 IHAB Fc1cc(I)cc(Br)c1I 306821882 LSQCQBCXCPIFMH-UHFFFAOYSA-N 426.792 3.797 0 40 IHAB COc1cccc(NC(=O)C(=O)Nn2c(CCC(=O)O)ccc2-c2ccc(Cl)cc2)c1 408562397 PMGMQHJPUSCUSQ-UHFFFAOYSA-N 441.871 3.543 0 40 IHAB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1 408653343 PNUSDDJUNVKPLS-WOJBJXKFSA-N 436.895 3.921 0 40 IHAB COc1cccc(NS(=O)(=O)c2ccc(N3C(=O)[C@H]4CC[C@@](C)(C3=O)C4(C)C)cc2)c1 408722998 YSJRIAGFSZMPLN-XXBNENTESA-N 442.537 3.812 0 40 IHAB Cc1ccccc1CSCCNC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 409029213 ZYBZDEJPRHSQCX-UHFFFAOYSA-N 442.606 3.964 0 40 IHAB CC(C)(C)c1ccc2nnc(C3CCN(C(=O)c4ccc(C(F)(F)F)nc4)CC3)n2n1 585581394 XVXFRRAFWMGQHT-UHFFFAOYSA-N 432.450 3.855 0 40 IHAB Cc1ncccc1C(=O)N1CCC[C@@]2(CCCCc3ccccc3OCCN(C)C2=O)C1 643561544 QZBGJZZGEIGXEI-SANMLTNESA-N 435.568 3.876 0 40 IHAB COc1ccc(NC(=O)N2CCC(Nc3cc(C(F)(F)F)ncn3)CC2)cc1OC 1888882228 WTBDVCFHBFRSEU-UHFFFAOYSA-N 425.411 3.621 0 40 IHAB O=C(NCc1ccc2c(c1)OCO2)[C@H]1CC(=O)N(c2ccc(OCc3ccccc3)cc2)C1 794305 MGDZOUYYPKUFCI-FQEVSTJZSA-N 444.487 3.664 0 40 IHAB CCOC(=O)c1c(NC(=S)NC(=O)c2c(Cl)cnn2C)sc2c1CC[C@H](C)C2 832645 QWKFVSJSVGTIFC-VIFPVBQESA-N 440.978 3.563 0 40 IHAB COc1ccc(OC(=O)CN(c2ccc(F)cc2F)S(=O)(=O)c2ccccc2)cc1 1394014 NUSQEIRIAMHBHL-UHFFFAOYSA-N 433.432 3.774 0 40 IHAB COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(C)c(C)c3)C2)cc1 1463576 HQLZRCFNUOCUHX-QGZVFWFLSA-N 445.541 3.521 0 40 IHAB CC(C)C[C@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1)N1C(=O)c2ccccc2C1=O 1916997 SXZJUQGBJVCFDA-GOSISDBHSA-N 428.872 3.533 0 40 IHAB COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CCCC4)CC(=O)N32)c1 2100436 APWUDJAWEKHNEF-DHLKQENFSA-N 429.520 3.804 0 40 IHAB biogenic Cc1ccc(S(=O)(=O)N[C@@H](C(=O)Oc2ccc3c(C)cc(=O)oc3c2C)C(C)C)cc1 2104609 KNPLGINMHSHNSJ-OAQYLSRUSA-N 443.521 3.627 0 40 IHAB biogenic COC(=O)[C@@](NC(=O)c1ccccc1F)(Nc1nc2ccccc2s1)C(F)(F)F 2268575 SCKIRJLNOGYEGV-QGZVFWFLSA-N 427.379 3.709 0 40 IHAB O=C(COC(=O)c1c(Cl)nc2sccn12)Nc1ccc(Br)cc1F 3304128 KZNVCDUCOVLLPY-UHFFFAOYSA-N 432.658 3.746 0 40 IHAB Cc1ccc(C)c(-n2c(S[C@@H](C)C(=O)NC(N)=O)nnc2-c2cccc(Cl)c2)c1 3430365 RWEBDGFONHFABM-ZDUSSCGKSA-N 429.933 3.880 0 40 IHAB O=C(OCC(=O)c1cccs1)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 3433824 BQBHDHAZKBFSQR-UHFFFAOYSA-N 441.530 3.535 0 40 IHAB COCCNC(=S)N(Cc1ccc(OC)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O 6321890 WAAHGJLRQRPWEO-UHFFFAOYSA-N 439.581 3.677 0 40 IHAB COC(=O)[C@@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1)C(C)C 6624295 OKDCAXLMEZADEK-VXKWHMMOSA-N 426.513 3.559 0 40 IHAB biogenic COc1ccc(C2=NO[C@@H]3[C@@H]4C[C@@H]([C@H]5C(=O)N(c6ccc(F)c(Cl)c6)C(=O)[C@@H]45)[C@H]23)cc1 9242756 PKQWJFJVDRJZMI-MORHTPAJSA-N 440.858 3.662 0 40 IHAB CCOc1ccc(-n2c(SCC(=O)Nc3cc(C)on3)nc3ccccc3c2=O)cc1 9284648 NYVBKFFJFUPEOJ-UHFFFAOYSA-N 436.493 3.812 0 40 IHAB CC[C@H](Sc1nc2nccnc2c(=O)n1Cc1ccccc1)C(=O)Nc1ccc(F)cc1 9405112 FNEZHRYIHDYYTC-SFHVURJKSA-N 449.511 3.883 0 40 IHAB O=C(CSc1ccc2nnc(-c3ccc(Cl)cc3)n2n1)Nc1ccc2c(c1)OCO2 9414888 DPKYJTTXKMWTHR-UHFFFAOYSA-N 439.884 3.904 0 40 IHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccco3)o2)cc1 9427888 PAKBTZWJGQABNP-UHFFFAOYSA-N 438.465 3.797 0 40 IHAB O=C(CCCCCn1c(=O)[nH]c2ccccc2c1=O)Nc1ccc(Br)cc1F 9449912 WCXKTMBKDOTZSN-UHFFFAOYSA-N 448.292 3.791 0 40 IHAB COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)NCC(C)C)ccc2C)cc1Cl 9585191 UCNWULGEPDYZOU-UHFFFAOYSA-N 440.949 3.852 0 40 IHAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)/C=C/c1ccc2c(c1)OCO2 9714510 GBBFDEMPKVWYHM-SOFGYWHQSA-N 440.496 3.701 0 40 IHAB COc1ccc(Cl)cc1NC(=O)CSc1nccn(-c2ccccc2OC)c1=O 9761469 QEAKCKMKCKNODA-UHFFFAOYSA-N 431.901 3.634 0 40 IHAB CC[C@@H](C)n1nccc1NC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 10030859 LKGQPXOAILSOAA-QGZVFWFLSA-N 438.553 3.853 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCCCN1CCCCCC1 10111297 AFDCXQSQBOBLOM-UHFFFAOYSA-N 435.634 3.556 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCCN3CCCCC3)cc2C)cc1 10112051 OYJRTRGSQYGBBE-UHFFFAOYSA-N 429.586 3.710 0 40 IHAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)Cn2nc3c(cc2=O)CCCC3)cc1 10277450 NMJNFXDYSLHTDC-XMMPIXPASA-N 442.519 3.509 0 40 IHAB CN(C)CCN(C(=O)c1ccc(Cl)s1)c1nc2c(S(C)(=O)=O)cccc2s1 10337322 WNVWIAAILXKLCN-UHFFFAOYSA-N 444.003 3.623 0 40 IHAB CCN(CC)CCN(C(=O)c1cccc(F)c1)c1nc2c(S(C)(=O)=O)cccc2s1 10337326 QATPDIRFJGNDNO-UHFFFAOYSA-N 449.573 3.828 0 40 IHAB CCCCN1C(=S)N[C@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)Nc2cc(C)on2)=C1C 11202582 UVXOIVOBQJJKDD-GOSISDBHSA-N 429.502 3.835 0 40 IHAB C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)Nc1ccccc1N1CCCCC1)C2=O 12523229 NGAHPAQTJJMACX-OSPHWJPCSA-N 426.561 3.752 0 40 IHAB COc1ccc(S(N)(=O)=O)cc1C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 12742682 CWSPMIQQDLKINU-UHFFFAOYSA-N 447.582 3.519 0 40 IHAB CCCCn1c(N)c(N(C(=O)Cc2cccc3ccccc23)C2CCCC2)c(=O)[nH]c1=O 12759561 UGIPKDQWLQBCCZ-UHFFFAOYSA-N 434.540 3.590 0 40 IHAB Cc1cc(=O)c(C(=O)NC[C@H](c2ccccc2)N(C)C)nn1-c1cccc(C(F)(F)F)c1 12905700 GTVXNGFSPURILM-LJQANCHMSA-N 444.457 3.592 0 40 IHAB Cc1onc(-c2ccccc2)c1C(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1 12998796 GTKAQHJSWUEEHE-UHFFFAOYSA-N 437.477 3.974 0 40 IHAB Cn1c(=O)n(C)c2cc(COc3ccc(CNCCCSc4ncccn4)cc3)ccc21 13568141 RWJBBGBUUUQTSH-UHFFFAOYSA-N 449.580 3.518 0 40 IHAB Cc1nnc(SCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)nc1O 13637266 WRNBIKSFALQELI-HNNXBMFYSA-N 429.889 3.602 0 40 IHAB O=C(NC1CCCCCC1)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 13678706 XWHOJJHICTXDRC-JOCHJYFZSA-N 428.554 3.623 0 40 IHAB C[C@H]1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)c2ccccc2S1 14184931 DUQBIAXHKUPLLR-FPTDNZKUSA-N 427.501 3.510 0 40 IHAB CCS(=O)(=O)N(CC(=O)Nc1ccccc1-c1ccccc1)c1ccc2c(c1)OCO2 14398136 SCQVYGAKWOLTAE-UHFFFAOYSA-N 438.505 3.877 0 40 IHAB COC(=O)c1sc(NC(=O)CN(C)[C@H]2CCCc3ccccc32)c(C(=O)OC)c1C 18935297 AZPITVXHYXWWTQ-INIZCTEOSA-N 430.526 3.578 0 40 IHAB CC(C)NC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)[C@H]2CCCO2)C1 19449173 JIJPMOVYALTXKI-YKSBVNFPSA-N 426.582 3.880 0 40 IHAB CNC(=O)[C@@]1(Cc2cccc(-c3cccs3)c2)CCCN(C(=O)Cc2cccnc2)C1 19591152 BXVSXKMOIPZTRK-RUZDIDTESA-N 433.577 3.950 0 40 IHAB Cc1nnsc1C(=O)N1CCC(c2nc(C)c3c(n2)N(Cc2ccccc2)CCC3)CC1 19705700 MGJKYCHKEPJTSF-UHFFFAOYSA-N 448.596 3.918 0 40 IHAB Cc1nc([C@H]2CCN(C(=O)c3ccccc3)C2)nc2c1CCC(=O)N2Cc1ccccc1 19738973 TYQWGQCHIWYGME-NRFANRHFSA-N 426.520 3.894 0 40 IHAB CCc1nn2c(nnc3c(=O)n(-c4ccc(OC)cc4OC)ccc32)c1-c1ccccc1 19821500 ZNJRGAVZLIZMOT-UHFFFAOYSA-N 427.464 3.675 0 40 IHAB COc1ccc(N(CCCC(=O)N[C@@H](C)c2ccc(F)cc2)S(C)(=O)=O)cc1Cl 20111135 SZKKRYGPTSETLZ-AWEZNQCLSA-N 442.940 3.911 0 40 IHAB CC[C@@H](C(=O)Nc1nnc(S(=O)(=O)N(CC)c2ccccc2)s1)c1ccccc1 20486647 NAKGYDKHEKIYOS-QGZVFWFLSA-N 430.555 3.886 0 40 IHAB CCOc1ccc(S(=O)(=O)NC[C@H](c2cccn2C)N2CCc3ccccc3C2)cc1 21153645 LIFLOBWBCQTCCN-XMMPIXPASA-N 439.581 3.502 0 40 IHAB NC(=O)c1ccc(N2CCCC2)c(NC(=O)CSCc2nc3ccccc3s2)c1 22602236 BASYFQCFRVLEIR-UHFFFAOYSA-N 426.567 3.867 0 40 IHAB Cc1noc(C)c1CN1CCN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 22782292 VCZWMZOBVAIKSI-UHFFFAOYSA-N 430.858 3.720 0 40 IHAB O=C(NC[C@@H](c1cccc2ccccc12)N1CCOCC1)C(=O)Nc1ccccc1Cl 23107752 HLXQYROWFBPJQU-QFIPXVFZSA-N 437.927 3.621 0 40 IHAB O=S(=O)(c1cccs1)N1CCN(Cc2c(-c3ccccc3)nc3sccn23)CC1 23983630 LSDDAKIGAYCPQV-UHFFFAOYSA-N 444.607 3.631 0 40 IHAB C[C@H](Oc1ccccc1F)c1nnc(SCCC(=O)NC(=O)NCc2ccccc2)o1 24828652 SZVPOCFZOXVDLD-AWEZNQCLSA-N 444.488 3.857 0 40 IHAB CCOc1c(Cl)cc(CNC[C@@H](c2ccc(OC)cc2)N2CCOCC2)cc1OC 25262064 BSRIMDAANLZALJ-NRFANRHFSA-N 434.964 3.919 0 40 IHAB Cc1cc(NC(=O)[C@@H](c2ccccc2)N2CCC(C(=O)Nc3ccccc3O)CC2)no1 27373857 BWIYKHDPKCWYDV-JOCHJYFZSA-N 434.496 3.719 0 40 IHAB O=C(Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)C1CCN(C(=O)Nc2ccccc2)CC1 30506985 ASVFXVTVHXXLCH-NRFANRHFSA-N 436.512 3.687 0 40 IHAB O=C(/C=C/c1ccc(SC(F)(F)F)cc1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 32903384 LKOINNLJTUQJLN-IDSJHHPBSA-N 449.516 3.506 0 40 IHAB O=C(NC1CCCC1)[C@H]1N(CCc2ccccc2)C(=O)[C@H]2[C@@H](c3ccccc3)[C@H]3C=C[C@]21O3 35311179 VXXBXHDZSRRRIA-SMOQRCJMSA-N 442.559 3.606 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(COc4ccccc4)o3)C2)cc1 35596951 GWPWMSYLERYEET-KRWDZBQOSA-N 443.525 3.616 0 40 IHAB COc1ccc(NC2(c3nnnn3-c3ccc(OC)c(OC)c3)CCCC2)cc1OC 35622290 VLDWQBHKDANIML-UHFFFAOYSA-N 425.489 3.578 0 40 IHAB O=C1C[C@@H](C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)CN1c1ccccc1Cl 36636414 CDLUAPYDBPRUJO-AEFFLSMTSA-N 426.900 3.828 0 40 IHAB Cc1cccnc1NC(=O)C1CCN(CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)CC1 40149194 WNXGIJCNSWLCQC-UHFFFAOYSA-N 447.322 3.601 0 40 IHAB CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(OCc2cc(=O)n3oc(C)cc3n2)cc1 41085700 JNCPPRZTQJXLTK-OAQYLSRUSA-N 433.464 3.971 0 40 IHAB Cc1cc(C)cc(NC(=O)Cn2cc(C(=O)N3CCC(C)CC3)c(=O)c3ccc(C)nc32)c1 49002240 CNDDLTKRULBQLE-UHFFFAOYSA-N 446.551 3.833 0 40 IHAB CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1)c1ccc(C)cc1C 58156665 HLVAZOXPDARTLP-UHFFFAOYSA-N 442.581 3.960 0 40 IHAB CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1nc(C)c(C(C)=O)s1 69417895 LYWQFZYBJSQPNT-AWEZNQCLSA-N 425.963 3.798 0 40 IHAB O=C(c1cc(-c2ccccc2)no1)N1CCC[C@@H](c2cc(C(F)(F)F)n3ncnc3n2)C1 72393664 VXLPCOPAWWHROA-CQSZACIVSA-N 442.401 3.818 0 40 IHAB CCOC(=O)[C@]1(Cc2cc(-c3ccc(F)cc3)no2)CCCN(Cc2cnn(C)c2C)C1 72394036 VJRISNSJNVFZQA-DEOSSOPVSA-N 440.519 3.911 0 40 IHAB O=C(NCCCc1nc2ccccc2[nH]1)c1ccc(N2CCCCS2(=O)=O)cc1Cl 79491474 DUFQYTJSPVMIJJ-UHFFFAOYSA-N 446.960 3.509 0 40 IHAB CCOC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N(CC)Cc1csc(CC(=O)NC)n1 89969379 WXJMLTBMMQFECL-GOSISDBHSA-N 444.384 3.865 0 40 IHAB Cc1cc2c(c(=O)o1)[C@H](c1ccc3c(c1)OCO3)[C@@H](C(=O)Nc1ccc(Cl)cc1)O2 96336015 METNQRVYFVYZHC-ICSRJNTNSA-N 425.824 3.862 0 40 IHAB Cc1nn(C(C)C)cc1S(=O)(=O)N1[C@@H]2CC[C@H](C2)[C@@H]1c1nc(-c2ccccc2)no1 100220011 ZTKUJPSWWNSXBB-ZHALLVOQSA-N 427.530 3.737 0 40 IHAB CC(C)(C)OC(=O)N1CCN(C(=O)C23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)CC1 102724034 IZUDBCJRJZIWLI-SNEKZUEESA-N 427.383 3.800 0 40 IHAB NC12C3(Cl)[C@@]4(Cl)C5(Cl)C(Cl)(Cl)C(Cl)([C@@]14Cl)[C@]2(Cl)[C@@]53Cl 104006741 KCRHNURXNCHJNT-LPEGIKIXSA-N 443.199 3.769 0 40 IHAB O=C(COC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1)Nc1ccc(F)cc1 111882534 GQWGGBZSOGGIEH-LLVKDONJSA-N 425.243 3.667 0 40 IHAB CC[C@@]1(C)c2sc(=O)[nH]c2S[C@H]2[C@@H]3C[C@@H]([C@@H]4C(=O)N(c5ccc(F)cc5)C(=O)[C@H]43)[C@@H]21 170612563 HYDGNKXEKCMXEV-WNKWFTMISA-N 444.553 3.789 0 40 IHAB COc1ccc([C@H](CC(C)C)NC(=O)CCCN(C)S(=O)(=O)c2ccccc2)cc1 219726031 PWBFNTDKZHELLQ-QFIPXVFZSA-N 432.586 4.000 0 40 IHAB Cc1ccccc1OC[C@H](C)NC(=O)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 219969375 RSOOTUHGYWMOQH-IBGZPJMESA-N 430.570 3.508 0 40 IHAB CC[C@H](NC(=O)CN(c1ccc(C(F)(F)F)cc1)S(C)(=O)=O)c1ccc(OC)cc1 220050941 URJMUIUKTGIXEC-SFHVURJKSA-N 444.475 3.748 0 40 IHAB CCCc1ccc(OCCNC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 223680034 GHWZZMZRXYXMQL-UHFFFAOYSA-N 438.977 3.562 0 40 IHAB COC(=O)c1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc2)cc1 223981291 MDBVRJDTDOVUKM-UHFFFAOYSA-N 440.477 3.535 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)c(OC)c1 224527844 GULVLTPZKAQRJA-UHFFFAOYSA-N 430.457 3.896 0 40 IHAB CCc1ccc(OCCNC(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 224633185 WTTWAKNTVIZFJU-UHFFFAOYSA-N 438.977 3.644 0 40 IHAB Cc1c(Cl)cccc1N(CCCC(=O)NCCOc1ccc(F)cc1)S(C)(=O)=O 224774709 GTVNNYDSEGZRNK-UHFFFAOYSA-N 442.940 3.529 0 40 IHAB CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1OC 224878533 SZTDONVGNWOQEL-OAQYLSRUSA-N 442.556 3.662 0 40 IHAB O=C(Nc1nnc(S(=O)(=O)Nc2ccc(Cl)cc2)s1)c1ccc(Cl)cc1 224891965 BWJWYSAQCGAVBP-UHFFFAOYSA-N 429.310 3.898 0 40 IHAB CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccc(C)c(C)c1 225487492 IXQMMKKWXOBMGT-MRXNPFEDSA-N 433.346 3.608 0 40 IHAB Cc1noc(-c2cccn3c(CNC(=O)c4c(-c5ccccc5Cl)noc4C)nnc23)n1 225747608 HKGKKOBTAAVVLS-UHFFFAOYSA-N 449.858 3.635 0 40 IHAB CSc1nnc(NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(C)cc3)c2)s1 225867280 ORAAANFBDDESCH-UHFFFAOYSA-N 434.568 3.930 0 40 IHAB CS(=O)(=O)N[C@@H](CC(=O)N1CCC(Cc2ccccc2)CC1)c1ccc(Cl)cc1 225952022 JIDSILBXWJIMDP-NRFANRHFSA-N 434.989 3.802 0 40 IHAB C=CCOc1ccc(C=c2sc3nc(-c4ccccc4Br)nn3c2=O)cc1 254450454 VLVJMNSUTSDGRS-UHFFFAOYSA-N 440.322 3.693 0 40 IHAB COc1cccc(Nc2cc(C)nc([C@@H]3CCN(S(=O)(=O)c4c(C)noc4C)C3)c2)c1 257267157 MGEDTFDJSQNIOQ-QGZVFWFLSA-N 442.541 3.925 0 40 IHAB CO[C@H]1CC[C@H](C(=O)N[C@H](Cc2cc(O)nc(-c3cccnc3)n2)c2ccccc2)CC1 257325283 WSGVWDDSZXACBF-STZQEDGTSA-N 432.524 3.849 0 40 IHAB Cc1cc(C)cc(C2(C(=O)N3CCOC[C@H](Cc4cccn5nccc45)C3)CCOCC2)c1 257332371 XWZKZMQTLQKXJK-JOCHJYFZSA-N 447.579 3.717 0 40 IHAB COc1ccccc1NCC(=O)N1CCC(c2nc(C)cc(Nc3ccccn3)n2)CC1 257336381 YODSQQZECAQVDM-UHFFFAOYSA-N 432.528 3.750 0 40 IHAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1)O2 260577691 JBMFRDKRLARHTO-IIBYNOLFSA-N 430.570 3.697 0 40 IHAB CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc3c4c(cccc24)CC3)Oc2ccc(Cl)cc21 260846176 IXTPACSZSVBKMW-HXUWFJFHSA-N 442.924 3.758 0 40 IHAB C[C@@H](Oc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1)C(=O)NC1CCCCC1 408596629 XFYUERFKEQHMQI-QZTJIDSGSA-N 430.570 3.942 0 40 IHAB Cc1cc(C)cc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(Br)cc3)CC2=O)c1 408655146 KYYRFVPDWKFOIN-OAHLLOKOSA-N 445.313 3.601 0 40 IHAB Cc1cc(Br)ccc1NC(=O)CCC(=O)OCC(=O)Nc1ccccc1C 408665413 FBBAYZOUIGPLAD-UHFFFAOYSA-N 433.302 3.967 0 40 IHAB O=C(NCCc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 408709856 YGXHFXVGYWIMIB-UHFFFAOYSA-N 435.911 3.567 0 40 IHAB O=C(N[C@H]1C(=O)N/[N+](=C\c2ccc(F)cc2)[C@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 409054873 OGQVLXXYTVFTGO-VZGOGJKNSA-O 440.857 3.634 0 40 IHAB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc4c(c3)OCCO4)C2=O)cc1 409097813 JLYALBZONKAFAV-XDHOZWIPSA-N 440.477 3.532 0 40 IHAB COc1ccc(CCOc2ccc([C@@H]3CC(=O)Oc4cc(C)n(C)c(=O)c43)cc2OC)cc1 524729799 JQWOOKXVLUIFEZ-FQEVSTJZSA-N 449.503 3.773 0 40 IHAB biogenic COC(=O)c1cc(NC(=O)N2CCC[C@H](N(C)Cc3ccccn3)CC2)cc2[nH]ccc12 584137409 OFYVGCXSGVIDBM-IBGZPJMESA-N 435.528 3.868 0 40 IHAB Cc1ncsc1C(=O)N1CCC2(CCCCCc3ccccc3OCCNC2=O)CC1 643571993 XPWLYGYNROHEDQ-UHFFFAOYSA-N 441.597 3.986 0 40 IHAB CCNC(=S)N(Cc1ccc(F)cc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O 895708 YPYZQXCHYRJYAU-UHFFFAOYSA-N 429.517 3.581 0 40 IHAB CC[C@@H](NC(=O)CCc1c(C)c2cc3c4c(oc3c(C)c2oc1=O)CCCC4)C(=O)O 2096815 ZBVLNKRDDHZZNS-GOSISDBHSA-N 425.481 3.947 0 40 IHAB biogenic Cc1c(O[C@H](C)C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)ccc2c3c(c(=O)oc12)CCC3 2108958 ANYNUAYZGOSFKZ-RYUVBPIJSA-N 425.525 3.511 0 40 IHAB biogenic Cc1ccc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3ccc(F)cc3)cc2)cc1 3217380 RYGFCWRPXUFXOV-UHFFFAOYSA-N 428.485 3.977 0 40 IHAB CCn1c(SCC(=O)Nc2ccccc2N2CCOCC2)nnc1-c1cccs1 3429528 XIKGDBVKVZUHMM-UHFFFAOYSA-N 429.571 3.594 0 40 IHAB COc1ccc(C)cc1-n1nnnc1SCC(=O)Nc1ccc(C)cc1Br 3491797 YMKATRFKJPOARY-UHFFFAOYSA-N 448.346 3.781 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc2nc(CSc3nnc(-c4ccccc4)o3)[nH]c2c1 6135001 BSYRSWTZQXRTFG-UHFFFAOYSA-N 443.554 3.936 0 40 IHAB Cc1ccccc1OCCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 6142713 RGWURXDMYMENPM-UHFFFAOYSA-N 425.510 3.989 0 40 IHAB O=C1Cc2cc(C(=O)CSc3nnc(-c4cccs4)n3C[C@@H]3CCCO3)ccc2N1 8825789 UFKAUCINBWMLCY-HNNXBMFYSA-N 440.550 3.655 0 40 IHAB O=C(O)COc1ccc(/C=C2\SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)cc1 8994261 VFWCPRVYHMOYSO-ZWSORDCHSA-N 447.852 3.769 0 40 IHAB Cc1nnc(S[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)n1Cc1ccccc1 9056201 URMAUNAZZKNLBP-QGZVFWFLSA-N 437.569 3.591 0 40 IHAB COc1ccc(Nc2nc(N3CCN(c4ccccc4OC)CC3)nc3nccnc23)cc1 9074321 NIXLKHBICAVDFW-UHFFFAOYSA-N 443.511 3.507 0 40 IHAB Cc1ccccc1-n1c(S[C@H](C(=O)NC(N)=O)c2ccccc2)nnc1-c1ccncc1 9126428 ZXBLOTWNBSDIHF-IBGZPJMESA-N 444.520 3.666 0 40 IHAB O=C(Nc1nc2c(s1)CC[C@@H]2C(=O)Nc1ccc2c(c1)OCCO2)c1ccc(F)cc1 9131649 KRXIDSYYSTVFKB-HNNXBMFYSA-N 439.468 3.974 0 40 IHAB CC(C)OCCCNC(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1 9193445 WFGLWFWOFRSSID-UHFFFAOYSA-N 442.940 3.606 0 40 IHAB CCN(c1ccc(C)cc1)S(=O)(=O)c1nnc(NC(=O)c2cccc(Cl)c2)s1 9405024 RGHAHZXAUJTOIB-UHFFFAOYSA-N 436.946 3.967 0 40 IHAB CCOc1ccc(N(C(=O)c2ccc(OCC)c(OCC)c2)[C@@H]2C=CS(=O)(=O)C2)cc1 9415822 LFQBHLUOJQYUSW-LJQANCHMSA-N 445.537 3.840 0 40 IHAB CCCn1cc(S(=O)(=O)c2cccc(C)c2)c(=O)c2cc(F)c(N3CCOCC3)cc21 9435569 XSQYLJNZARLDOJ-UHFFFAOYSA-N 444.528 3.528 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 9463802 SGYLTTNDWMJPJC-HNNXBMFYSA-N 444.459 3.828 0 40 IHAB Cc1csc(CC(=O)N2CCN(C(=O)COc3ccc(Cl)c4ccccc34)CC2)n1 9516918 UTJPZPGTAUSMPX-UHFFFAOYSA-N 443.956 3.550 0 40 IHAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)CCS(=O)(=O)c2ccccc2)cc1 9698695 UGDOYXHOWCDSKF-UHFFFAOYSA-N 436.533 3.728 0 40 IHAB COc1cccc(-c2nnc(SCC(=O)NCc3ccc(C)cc3)n2-n2cccc2)c1 9738588 NLVYCXIVLOMJHB-UHFFFAOYSA-N 433.537 3.784 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C)CC2)Cc2ccccc2)cc1C 10301678 HBJYULOFDSVOAZ-UHFFFAOYSA-N 444.597 3.843 0 40 IHAB COCCCN1C(=O)c2[nH]nc(-c3cc(C)ccc3O)c2[C@@H]1c1ccc(OC)c(OC)c1 11914918 REKKBVGHVFAUJK-QHCPKHFHSA-N 437.496 3.690 0 40 IHAB C[C@H](C(=O)N1CCN(S(=O)(=O)c2cc(Cl)cnc2C2CCC2)CC1)c1ccccc1 12220868 SSIQHSACWQCLMR-INIZCTEOSA-N 447.988 3.639 0 40 IHAB COc1cc([C@H]2Nc3ccccc3C(=O)N2Cc2ccc(C)cc2)ccc1OCC(N)=O 12544027 MPOZXTJNHVMQCO-DEOSSOPVSA-N 431.492 3.634 0 40 IHAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC[C@H](c3ccco3)N(C)C)ccc2C)cc1 12761210 OUTYTCZQUORLJQ-HXUWFJFHSA-N 441.553 3.730 0 40 IHAB CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)Nc1ccc(Br)c(C)c1 12767283 FAIWPXHCRPNODE-OAQYLSRUSA-N 442.313 3.695 0 40 IHAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CNC(=O)c1ccc(C)c(C)c1 12845368 MENICFJWKKUNMF-UHFFFAOYSA-N 435.446 3.539 0 40 IHAB Cc1nn(CC(=O)Nc2ccc(C(C)C)cc2)c(C)c1S(=O)(=O)N1CCC(C)CC1 12924067 DLHWWRJDUUFMAV-UHFFFAOYSA-N 432.590 3.683 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3csc(-c4ccccc4)n3)CC2)c1 12979475 RTEMNIIXDGGIKM-UHFFFAOYSA-N 441.578 3.574 0 40 IHAB COC(=O)c1cccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2cccnc2)c1 13025318 RAAUITHMMWFQAC-QFIPXVFZSA-N 447.491 3.908 0 40 IHAB COc1ccccc1/N=c1\scc(-c2ccc3c(c2)NC(=O)CO3)n1C[C@@H]1CCCO1 13152703 XTOAWMVAZOOIGP-LDWQWDCMSA-N 437.521 3.968 0 40 IHAB CCc1ccccc1NC(=O)Cn1c(=O)n(CCc2ccccc2)c(=O)c2sccc21 13533484 UEQFWLNBLGRTDT-UHFFFAOYSA-N 433.533 3.669 0 40 IHAB O=C(CN1C(=O)S/C(=C\c2ccccc2F)C1=O)NCCc1c[nH]c2ccc(F)cc12 13572307 AKRRPROOXZJYCV-OCKHKDLRSA-N 441.459 3.841 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)N(C)Cc3ccccc3)cc2)cc1 13585169 RPAPVLHKUJUXNH-UHFFFAOYSA-N 438.549 3.858 0 40 IHAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)N3c4ccccc4C[C@H]3C)Oc3ccccc32)cc1 13596436 SQSBMZHSIOLXTL-KOSHJBKYSA-N 448.544 3.929 0 40 IHAB CN(Cc1cccs1)C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 15385128 RGOCSBZHRLHVST-UHFFFAOYSA-N 426.563 3.767 0 40 IHAB COC(=O)c1ccc(NC(=O)CN(c2ccc(OC)cc2)c2n[nH]c(=S)s2)cc1 16768819 NODYXIXSBQRZEL-UHFFFAOYSA-N 430.511 3.773 0 40 IHAB CCOC(=O)c1ccc(NC(=S)NC(=O)c2c(F)c(F)c(OC)c(F)c2F)cc1 17096803 RUYPFBJZZGDJEV-UHFFFAOYSA-N 430.379 3.555 0 40 IHAB CCSc1nc(O)c2sc3nc(N4CCOCC4)c4c(c3c2n1)CC(C)(C)OC4 18151932 SAXXBEZMVSEEBQ-UHFFFAOYSA-N 432.571 3.745 0 40 IHAB Cc1nc(C2CCN(C(=O)CCCc3c[nH]c4ccccc34)CC2)nc2c1CCC(=O)N2C 19739479 SKKHPDXQDQCTPS-UHFFFAOYSA-N 445.567 3.904 0 40 IHAB Cc1ccc(OC(C)(C)C(=O)N2CCC[C@H]2c2nc(C)c3c(n2)N(C)C(=O)CC3)cc1C 19742045 OONDDMABQURZTJ-FQEVSTJZSA-N 436.556 3.832 0 40 IHAB Cc1c(Cl)cccc1NC(=O)CSc1nc2c(=O)[nH]cnc2n1-c1ccccc1 20295661 NPYDCBSFJPVZAO-UHFFFAOYSA-N 425.901 3.801 0 40 IHAB COc1ccccc1-c1noc([C@@H](C)NS(=O)(=O)c2ccc(Br)cc2)n1 20888935 JJPAOIKITQUNTO-LLVKDONJSA-N 438.303 3.547 0 40 IHAB COc1cc(NC(=O)[C@H](CC(C)C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c(OC)cc1Cl 21196973 PADOWBGNZPIPRK-VBQJREDUSA-N 434.920 3.662 0 40 IHAB CC(C)CN(CC(=O)NCCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O)C1CC1 24755404 FHVOCZOIXPKXLF-WQRHYEAKSA-N 435.977 3.613 0 40 IHAB COc1ccccc1NC(=O)[C@@H](C)OC(=O)[C@@H](C)SCC(=O)Nc1ccc(C)cc1 24791686 MQJKVICBYQTVQB-HZPDHXFCSA-N 430.526 3.634 0 40 IHAB COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NC[C@H](C(C)C)N1CCOCC1 24968884 YEAUVNXNXHPGFI-HSZRJFAPSA-N 448.567 3.635 0 40 IHAB Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)N2CCN(C[C@@H]3CCCO3)CC2)c1 25609048 SYSJFMOJIDXMLF-QHCPKHFHSA-N 448.542 3.924 0 40 IHAB O=c1ccc2cc(S(=O)(=O)N3CCN(Cc4csc5ccccc45)CC3)ccc2o1 25672338 RDHKWFAYCAIEGG-UHFFFAOYSA-N 440.546 3.514 0 40 IHAB COc1cc(C(=O)N(C)CC(=O)Nc2ccc(C)cc2)ccc1OCc1cscn1 30809499 SVWWKADWHJVFEG-UHFFFAOYSA-N 425.510 3.750 0 40 IHAB Cc1c(C(=O)N2CCC[C@H]2c2nnc3ccccn23)sc2nc3n(c(=O)c12)CCCCC3 31505668 RSGWPGOBKOUKGP-HNNXBMFYSA-N 448.552 3.513 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2nc(-c3ccccc3OC)no2)cc1 32759408 CSARLEWXBSYPAE-MRXNPFEDSA-N 444.557 3.627 0 40 IHAB COc1cccc(NC(=O)[C@@H](NC2CCN(C(=O)c3ccco3)CC2)c2ccccc2)c1 32899558 CGDLWDRFCPPEGW-QHCPKHFHSA-N 433.508 3.862 0 40 IHAB Cc1ccc2nc(COc3cccc(NC(=O)[C@H](C)Oc4ccccc4)c3)cc(=O)n2c1 33068155 VCEKLESTSJKAGT-SFHVURJKSA-N 429.476 3.988 0 40 IHAB CCc1ccc2ncc(S(=O)(=O)c3ccc(C)cc3)c(N3CCC(C(N)=O)CC3)c2c1 33383837 WQYOMHRBESKDLY-UHFFFAOYSA-N 437.565 3.640 0 40 IHAB COc1cc(Br)cc(/C=C2/C(=O)N(Cc3ccco3)C(=O)N=C2O)c1OC 33609870 UYBJDJCQRNVRBH-NTUHNPAUSA-N 435.230 3.562 0 40 IHAB CC(=O)Nc1ccc(S(=O)(=O)N(Cc2cccs2)c2ccc3c(c2)OCO3)cc1 33808214 IKDPTAUVKIJYHR-UHFFFAOYSA-N 430.507 3.831 0 40 IHAB c1ccc2c(CN3CCC[C@H]3c3nc(-c4ccc(N5CCOCC5)nc4)no3)c[nH]c2c1 35425288 AGJZLHGLMSHJHP-NRFANRHFSA-N 430.512 3.787 0 40 IHAB biogenic,in-vitro O=C(Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)c1cccc(I)c1 36396759 SCPYMDWLAHSQPM-MRXNPFEDSA-N 436.249 3.661 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccccc2OCC)cc1Cl 39986526 VTRMJIUVCYVGIQ-UHFFFAOYSA-N 440.949 3.787 0 40 IHAB O=C(CN1CCC[C@H](C(=O)Nc2ccccn2)C1)Nc1nc(-c2ccc(F)cc2)cs1 40149568 CLOYQPUTLCRQBL-INIZCTEOSA-N 439.516 3.633 0 40 IHAB COC(=O)C1=C(C)N(CCCCCC(=O)O)C(=O)N[C@H]1c1ccccc1Br 40152348 SYNLHXODNDFJEP-KRWDZBQOSA-N 439.306 3.607 0 40 IHAB COC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)c1ccc(C(C)(C)C)cc1 46086006 ZLQLADVMVWJUAU-OALUTQOASA-N 436.618 3.540 0 40 IHAB Cc1ccc(C(N)=O)cc1NC(=O)C(=O)N[C@@H](CCCc1ccccc1)c1ccccc1 63824224 ZPYOZDROVRERLB-QFIPXVFZSA-N 429.520 3.913 0 40 IHAB COc1cccc(C(=O)N2CCC(Cc3ccccc3-c3cccnc3)(C(N)=O)CC2)c1 72345034 UNWZLRVTNGQJBU-UHFFFAOYSA-N 429.520 3.708 0 40 IHAB CCOC(=O)c1sc2nc(C)nc(N3CCC(C(=O)N4CCC[C@H](C)C4)CC3)c2c1C 84795584 UTQUVGNEULOPIQ-AWEZNQCLSA-N 444.601 3.960 0 40 IHAB COc1ccc(Br)cc1CN(C)C(=O)Nc1ccccc1S(C)(=O)=O 89350786 GIONCRYLKZMKPW-UHFFFAOYSA-N 427.320 3.525 0 40 IHAB CC(C)c1cc(NC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)n(-c2ncccn2)n1 95461277 RJDKSHXGDGTKBU-LJQANCHMSA-N 438.919 3.645 0 40 IHAB Cc1ccc(CNC(=O)c2ccc3ccc(N4CCN(C(=O)c5ccccc5)CC4)n3c2)o1 96155997 ZFEFVENNFBUIFD-UHFFFAOYSA-N 442.519 3.733 0 40 IHAB CS(=O)(=O)[C@@](Cl)(I)[C@H](O)c1ccc(-c2ccccc2)cc1 96519955 IVOTWODWVCBROL-CABCVRRESA-N 436.698 3.759 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N[C@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 103012763 BDPRFUKBHXABTC-MLYOOKFZSA-N 434.602 3.814 0 40 IHAB Cc1ccc2c(c1)[C@@H](NC(=O)C1CCN(S(=O)(=O)c3cccs3)CC1)CC(C)(C)O2 219256889 LGYLKFIGUDTKHP-SFHVURJKSA-N 448.610 3.876 0 40 IHAB CC[C@H](Oc1ccc(F)cc1)C(=O)N(C)Cc1nc(-c2ccc(OC)cc2OC)no1 219329311 LWMPHVWPLMSYML-SFHVURJKSA-N 429.448 3.709 0 40 IHAB COc1ccc(Cl)cc1NC(=O)CN(c1cccc(OC(C)C)c1)S(C)(=O)=O 220104052 VIHONJMRAGAIBW-UHFFFAOYSA-N 426.922 3.541 0 40 IHAB CC[C@H](C(=O)NCCCc1ccc(Cl)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O 220652793 JVUMVPSOCLSECK-HXUWFJFHSA-N 438.977 3.642 0 40 IHAB CCOCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1Cl 222726982 OEMIXLIBMAZUIR-SFHVURJKSA-N 432.948 3.679 0 40 IHAB Cc1cc(OCC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc(C)c1Br 223861097 ODQYQQFRNVTSPU-CQSZACIVSA-N 440.359 3.726 0 40 IHAB CCOc1ccccc1CNC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(F)cc2)c1 224175092 SVCQNSKPMXJZGX-UHFFFAOYSA-N 442.512 3.980 0 40 IHAB CCOc1ccc(C(=O)N2CCCC2)cc1CN(C)S(=O)(=O)c1ccc(Cl)cc1 224836862 QARMCRKYZDTVAD-UHFFFAOYSA-N 436.961 3.795 0 40 IHAB CS(=O)(=O)N(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)Cc1ccccc1F 225588634 JYKGJXGEZKXFHM-UHFFFAOYSA-N 438.830 3.898 0 40 IHAB CCN(c1ccc2sc(C(=O)NCCOC)cc2c1)S(=O)(=O)c1ccc(C)cc1 225853741 BRSPBSDUACRKHU-UHFFFAOYSA-N 432.567 3.801 0 40 IHAB COc1ccc([C@@H](C)NC(=O)Cc2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1 225979652 CBVSIKGOIHFTNX-GOSISDBHSA-N 438.549 3.940 0 40 IHAB COc1cccc(-c2cncc([C@H]3CN(C(=O)c4nccc5ccccc45)CCO3)n2)c1 257202414 ALRRFGAREYBJFJ-HSZRJFAPSA-N 426.476 3.914 0 40 IHAB CC(C)(NC(=O)c1cccc(F)c1)C(=O)N1CCOC[C@@H](Cc2cccc3cccnc23)C1 257284118 PBHGHRQZALGJJA-SFHVURJKSA-N 449.526 3.600 0 40 IHAB Cn1ccc(NC(=O)CN2CCCC[C@H]2c2n[nH]cc2-c2ccc(C(F)(F)F)cc2)n1 257316195 VEOGMUKNXGINQT-KRWDZBQOSA-N 432.450 3.995 0 40 IHAB Cc1nc2cc(C(=O)N3CCNC(=O)[C@H]3Cc3ccc(-c4ccccc4)cc3)ccc2n1C 257330167 XNECUYIMQKWQIJ-RUZDIDTESA-N 438.531 3.732 0 40 IHAB CC(C)N1CC2(CCN(Cc3cnn(C(C)C)c3)CC2)COc2ccccc2S1(=O)=O 306127833 GIRSIXGLAAKHRT-UHFFFAOYSA-N 446.617 3.538 0 40 IHAB Cc1cccc(N2C[C@H](C(=O)Nc3ccc(I)cc3)CC2=O)c1C 408647810 XNHZVNAHBXYKRV-CQSZACIVSA-N 434.277 3.900 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2cccc(C)c2C)cc1 408661097 AZOCHRTUSLJFCT-UHFFFAOYSA-N 440.496 3.771 0 40 IHAB COc1ccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C[C@H](C=C5C)[C@H]4C3=O)c2)c(OC)c1 408673739 UPKZMLCCRQADPL-OZPQRRJYSA-N 432.476 3.658 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCc1ccccc1Cl 408703941 WOJLXYUDSMREFD-UHFFFAOYSA-N 436.961 3.699 0 40 IHAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)cc(Cl)c1O 409341475 DBUVAMXSYCSMJG-YBEGLDIGSA-N 438.933 3.739 0 40 IHAB COc1ccc(OC)c(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)c1 409351924 XQALQPROLSXHMZ-YBFXNURJSA-N 426.494 3.996 0 40 IHAB COc1ccc([C@H](CNC(=O)COc2c[nH]c(C)cc2=O)c2c[nH]c3ccccc23)cc1 524735523 HUMKLFGNQDBPJX-FQEVSTJZSA-N 431.492 3.500 0 40 IHAB O=C(O)CCCC(=O)N[C@@H]1CCC[C@@H](Oc2ccc(F)cc2Oc2ccccc2)[C@@H]1O 585262360 ZHAXGNQWTVJOGG-LYHRCORUSA-N 431.460 3.650 0 40 IHAB COc1cccc(N2CC[C@@H](NC(=O)c3nc(-n4nc(C)cc4C)ccc3Cl)C2)c1 590486054 OGXPZVGPVZHIPH-MRXNPFEDSA-N 425.920 3.555 0 40 IHAB O=C(c1ccccc1)N1CC[C@@H](C(=O)N2CCO[C@H](c3ccccc3C(F)(F)F)C2)C1 1615055384 MFXASRNKCXPYQU-XLIONFOSSA-N 432.442 3.768 0 40 IHAB Cn1c(=O)n(CC(=O)N2CCCC[C@@H]2c2ncc(Cc3ccc(F)cc3)o2)c2ccccc21 1848353308 SOEJTZIGJUCAGH-JOCHJYFZSA-N 448.498 3.812 0 40 IHAB Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3cccnc3)Cc3nnnn3C3CCCC3)cc12 926921 JMJHZUQOVAFDQZ-UHFFFAOYSA-N 443.555 3.844 0 40 IHAB CCOC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1cccc(Br)c1 1073840 MRNXGEXTEVMGJH-OAHLLOKOSA-N 442.265 3.813 0 40 IHAB biogenic,in-vitro COc1ccccc1-n1c(SCC(=O)NCCc2ccccc2)nnc1-c1cccnc1 1362337 BQYGOGYZYQGROA-UHFFFAOYSA-N 445.548 3.789 0 40 IHAB COc1ccccc1[C@H]1C[C@H](c2ccc(Cl)cc2)Nc2nc(N3C(=O)CCC3=O)nn21 2231597 NQDWLJXYRCCWIN-IAGOWNOFSA-N 437.887 3.740 0 40 IHAB CCOC(=O)c1c(NC(=O)CN2C(=O)[C@H](C)N(c3ccc(C)cc3)C2=O)sc(C)c1C 3276949 KSRLCUUXJGMMHL-AWEZNQCLSA-N 443.525 3.646 0 40 IHAB COc1ccccc1NS(=O)(=O)c1ccc(O)c(C(=O)OCc2ccccc2F)c1 3303267 JTRCFXFTQQNTTJ-UHFFFAOYSA-N 431.441 3.698 0 40 IHAB COc1ccc(CN(C)CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1 3327914 OCKUPANPHGPYDE-UHFFFAOYSA-N 437.462 3.621 0 40 IHAB Cc1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@H](C(=O)c1ccc3c(c1)OCCO3)S2 3337738 PLWOBOHZWJEHQR-PKOBYXMFSA-N 428.901 3.653 0 40 IHAB O=C(COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)NCCC1=CCCCC1 3421620 GIDGGRLHKIBAMN-UHFFFAOYSA-N 446.503 3.646 0 40 IHAB COCCNC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1-c1ccc(Cl)cc1 3454515 NLVFYKAYBUQDBE-UHFFFAOYSA-N 438.336 3.547 0 40 IHAB O=C(CSc1nc2ccccc2c(=O)n1Cc1ccc(F)cc1)NCc1ccccc1 3501961 GNORGUYILAHOKB-UHFFFAOYSA-N 433.508 3.992 0 40 IHAB CCCCc1nnc(SCc2ccccc2CSc2nnc(CCCC)n2N)n1N 4136551 UHZUGTGNNHRSTE-UHFFFAOYSA-N 446.650 3.567 0 40 IHAB COc1ccc(OCC(=O)Nc2ccccc2N2CCN(C(=O)c3ccccc3)CC2)cc1 6156956 BPWGAJMZJZRDHH-UHFFFAOYSA-N 445.519 3.675 0 40 IHAB CC(C)Cc1ccc([C@H](N[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C(C)C)cc1 7875361 LWANCOHYPRCAPK-HTAPYJJXSA-N 431.602 3.846 0 40 IHAB COc1ccc(-c2cc(=O)oc3c(C)c(OCC(=O)NCc4cccnc4)ccc23)cc1 8790165 VYXNNHGOWFJZAE-UHFFFAOYSA-N 430.460 3.867 0 40 IHAB biogenic O=C(Cc1csc(SCC(=O)Nc2ccc(Cl)cc2)n1)NCc1cccnc1 8852383 CGHNWQWCQBXUHF-UHFFFAOYSA-N 432.958 3.781 0 40 IHAB Cc1ccc(-n2nc3c(c2NC(=O)COc2ccc(Cl)cc2)C[S@](=O)C3)c(C)c1 8884967 OUMBPBLUZYKFSC-GDLZYMKVSA-N 429.929 3.922 0 40 IHAB Cc1cc(=O)oc2cc(OCC(=O)NC3CCN(Cc4ccccc4)CC3)c(Cl)cc12 8995474 LIIPLSFUSIQLKM-UHFFFAOYSA-N 440.927 3.914 0 40 IHAB Cc1c(N(Cc2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c(=O)n(-c2ccccc2)n1C 9226352 NRUVSJFSGVUIHF-UHFFFAOYSA-N 440.352 3.757 0 40 IHAB CCc1cccc2c(C(=O)CN3C(=O)N[C@](C)(c4ccc(OC(F)F)cc4)C3=O)c[nH]c12 9257536 QETHVGSMJUEASK-HSZRJFAPSA-N 441.434 3.982 0 40 IHAB O=C(C[C@@H]1SC(N2CCCC2)=NC1=O)Nc1ccc(C(=O)NC2CCCCCC2)cc1 9413462 KSIYZHWVBSMMIL-IBGZPJMESA-N 442.585 3.562 0 40 IHAB COc1cc(C(=O)Nc2nc(C)cs2)cc(CN2C(=O)c3ccccc3C2=O)c1OC 9508773 HTVBMCMBESTSQZ-UHFFFAOYSA-N 437.477 3.517 0 40 IHAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccccn3)cc2)cc1Cl 9669062 LDKUNQSJYGKPFH-UHFFFAOYSA-N 445.928 3.539 0 40 IHAB COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1ccc(-n2nc(C)cc2C)cc1 9764599 KHBFHAMFWFMYPZ-UHFFFAOYSA-N 426.904 3.862 0 40 IHAB O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)Nc1cccc(-c2nnnn2C2CC2)c1 9957432 OQIUXNLOLCSGTB-QGZVFWFLSA-N 440.916 3.770 0 40 IHAB O=C(COC(=O)CCc1ccccc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 10624096 OUHKXURSIAEBSI-UHFFFAOYSA-N 436.430 3.657 0 40 IHAB CC(C)Cc1nc(SCc2ccc(C(F)(F)F)cc2)c2c(=O)n(C)c(=O)n(C)c2n1 12140393 XQMWTWVYCKNJCJ-UHFFFAOYSA-N 438.475 3.537 0 40 IHAB O=C1CN(S(=O)(=O)c2ccc(F)cc2)C[C@@H](Cn2c3ccccc3c3ccccc32)O1 12249903 OENUIHGKKLOSDV-KRWDZBQOSA-N 438.480 3.550 0 40 IHAB O=C1CN(S(=O)(=O)c2ccc(F)cc2)C[C@H](Cn2c3ccccc3c3ccccc32)O1 12249904 OENUIHGKKLOSDV-QGZVFWFLSA-N 438.480 3.550 0 40 IHAB CCN([C@@H](C)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1cccc(Br)c1 12817118 DXPCGQNITUCRGN-AWEZNQCLSA-N 425.348 3.795 0 40 IHAB COc1ccc(NC(=O)CN(C)Cc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)cc1 12992179 IXXPLDVMWINMTG-UHFFFAOYSA-N 434.521 3.731 0 40 IHAB Cc1cc(C(=O)Cn2nnc(-c3cccs3)n2)c(C)n1C[C@@H]1COc2ccccc2O1 13062575 QJYQFVCXNRAVSQ-MRXNPFEDSA-N 435.509 3.543 0 40 IHAB O=C(NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O)c1ccccc1OC(F)F 13149165 LBWCLCVVNRQUCL-WJDWOHSUSA-N 436.411 3.893 0 40 IHAB COc1cc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2cccc(O)c2)c(OC)cc1Cl 13494468 DZYMLERTRFQNRT-LJQANCHMSA-N 441.875 3.582 0 40 IHAB Cc1cc(Br)ccc1NC(=O)CNC(=O)CN(C)Cc1ccc(Cl)s1 14110960 IRVZXYQXGIADHG-UHFFFAOYSA-N 444.782 3.659 0 40 IHAB COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccc(NC(=O)C(C)C)cc2)c(F)c1F 14271224 HHEPMVBOFAFDFZ-UHFFFAOYSA-N 443.422 3.973 0 40 IHAB Cc1cc(C)c(S(=O)(=O)N2CCN([C@H](C)c3nnc(-c4ccccc4)o3)CC2)c(C)c1 15474614 GAENIZUYUYZXMA-LJQANCHMSA-N 440.569 3.729 0 40 IHAB CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(N2C[C@@H](C)C[C@@H](C)C2)s1 15943690 OVBCCBRTWGXTLH-GASCZTMLSA-N 442.628 3.560 0 40 IHAB Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)OCC(=O)N4C[C@@H](C)C[C@@H](C)C4)cc3C2=O)c1 17836840 AODKRJFSQPLCSG-CALCHBBNSA-N 448.519 3.765 0 40 IHAB COc1ccc(C)cc1CC(=O)N1CCC[C@@H](c2cc(N(C)C)nc(-c3ccncc3)n2)C1 19133005 PLPLGUOUHCNFQG-HXUWFJFHSA-N 445.567 3.870 0 40 IHAB CCn1ncc(C(=O)N2CCC(c3nc(NC(C)C)ncc3-c3ccccn3)CC2)c1C 19523882 WYSVFBFAXOAQBZ-UHFFFAOYSA-N 433.560 3.904 0 40 IHAB COc1ccccc1-c1ccccc1C[C@@H]1CN(C(=O)Cc2ccccc2)CCNC1=O 19571786 DFCMJSBXCHRNGF-JOCHJYFZSA-N 428.532 3.722 0 40 IHAB CN(C)c1ncc(-c2cccc(F)c2)c([C@H]2CN(C(=O)Cc3ccc(F)cc3)CCO2)n1 19692751 YGBOWAMQFITYPA-OAQYLSRUSA-N 438.478 3.630 0 40 IHAB Cc1nonc1CC(=O)N1CCC[C@H](c2nc(N(C)C)ncc2-c2cccc(Cl)c2)C1 19693909 GKPPNTZNBCRHPV-INIZCTEOSA-N 440.935 3.503 0 40 IHAB Cc1ccccc1OCCNC(=O)c1ccc([C@H]2CCCN(Cc3ccccn3)C2)nc1 19706059 SAGXRYBDZRUJKS-QFIPXVFZSA-N 430.552 3.973 0 40 IHAB CCOC(=O)c1cccc(NC(=O)CSc2nnc(COc3cccc(C)c3)o2)c1 20760052 NAJNTDSSWIEDEG-UHFFFAOYSA-N 427.482 3.865 0 40 IHAB Cc1nc2sc([C@@H](c3cccc(F)c3)N3CCN(c4ccccc4F)CC3)c(O)n2n1 23157423 SSRGMERJEAVAMZ-LJQANCHMSA-N 441.507 3.995 0 40 IHAB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2cccnc2N2CCCC2)c1 23955920 WKNSEAQNXZOKAB-UHFFFAOYSA-N 436.537 3.759 0 40 IHAB O=C(CSc1ncc(-c2ccc(F)cc2)o1)NCc1ccc(CN2CCOCC2)cc1 24045612 QLJMBJBTWUEMBG-UHFFFAOYSA-N 441.528 3.721 0 40 IHAB CCOc1cc(C(=O)Nc2ccccc2NS(C)(=O)=O)ccc1OCc1cccnc1 24897228 HRELITBSSGYFKF-UHFFFAOYSA-N 441.509 3.683 0 40 IHAB COCCOc1cc(NC(=O)Cn2c(-c3cccc(C)c3)n[nH]c2=S)ccc1OC 25226128 NPGRHFKULXVOPJ-UHFFFAOYSA-N 428.514 3.589 0 40 IHAB O=C1C[C@@H](C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)c2ccc(F)cc2N1 25899131 OSQZDQYRBVDBLW-CQSZACIVSA-N 425.441 3.785 0 40 IHAB Cc1ccc(OCc2nc(C(=O)N3C[C@@H](C(=O)N(C)C)Oc4ccccc43)cs2)cc1 26870023 JLFFCRIMPZVROP-FQEVSTJZSA-N 437.521 3.527 0 40 IHAB CCOc1ccc(-c2nc(CN3c4ccc(S(N)(=O)=O)cc4C[C@H]3C)cs2)cc1 27556110 CWAQOFBSSRQZJF-CQSZACIVSA-N 429.567 3.807 0 40 IHAB COc1ccc(NC(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)cc1N1CCCC1=O 28041439 MOHGUVDSOXWURV-UHFFFAOYSA-N 445.401 3.674 0 40 IHAB Cc1cccc(NC(=S)NC(=O)c2cc(I)ccc2Cl)n1 32107004 PGUDCESNECMANQ-UHFFFAOYSA-N 431.686 3.775 0 40 IHAB O=S1(=O)C[C@H]2N=C(SCc3ccccc3Cl)N(c3ccc(F)cc3F)[C@H]2C1 32640480 MMQVPQWVJQXAQN-WBVHZDCISA-N 428.913 3.893 0 40 IHAB C[C@@H](Sc1nc(O)c2cnn(-c3ccccc3)c2n1)C(=O)Nc1c(F)cccc1F 32774468 UESYIXFLYFBYOZ-LLVKDONJSA-N 427.436 3.919 0 40 IHAB CC(=O)Oc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)cc1 35177893 GZQYQISHKFQZKN-CAOOACKPSA-N 432.404 3.565 0 40 IHAB O=C(CN1CCN(C(=O)COc2ccccc2-c2ccccc2)CC1)Nc1cccc(F)c1 36386214 PBTGIOSGZNLJGP-UHFFFAOYSA-N 447.510 3.654 0 40 IHAB CS(=O)(=O)N1CC[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)Oc2ccc(Cl)cc21 38834746 ZKIVRVXAHYTSCW-INIZCTEOSA-N 448.850 3.915 0 40 IHAB COc1ccc(Cn2ccc3nc4ncnn4c(-c4cccc(Cl)c4)c3c2=O)cc1OC 40398013 WDBUMZYQSDLODR-UHFFFAOYSA-N 447.882 3.825 0 40 IHAB CCc1ccc(NS(=O)(=O)c2cc(-c3nn(C)c(=O)c4c3CCCC4)ccc2C)cc1 44803308 VWPTUPDLVZHVIE-UHFFFAOYSA-N 437.565 3.998 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)c(Cl)c1 44847413 VAFGWIRGBYKKPH-UHFFFAOYSA-N 438.933 3.538 0 40 IHAB O=C(Cn1cnc2sccc2c1=O)Nc1ccnn1Cc1cccc(Cl)c1Cl 48342435 DFNYVIQVUCGHST-UHFFFAOYSA-N 434.308 3.648 0 40 IHAB Cc1ccc2c(=O)c(C(=O)Nc3ccccc3)cn(CC(=O)Nc3ccc(F)c(F)c3)c2n1 49002015 TUWNEHSWFINMDF-UHFFFAOYSA-N 448.429 3.874 0 40 IHAB O=C(COc1ccc(Cl)c2ccccc12)Nc1cc(N2CCCS2(=O)=O)ccc1O 58423790 QAPVNDCWVCOZLP-UHFFFAOYSA-N 446.912 3.756 0 40 IHAB O=C(NCCCC(=O)N1CCCN(C(=O)Nc2ccc(Cl)cc2)CC1)c1ccsc1 62582113 VGHAILSVTIRLIP-UHFFFAOYSA-N 448.976 3.678 0 40 IHAB Cc1cccc(-c2noc(-c3cccnc3N3CCC(C(=O)N4CCSCC4)CC3)n2)c1 65130704 JTDGEKNGXNYWFC-UHFFFAOYSA-N 449.580 3.899 0 40 IHAB CCOc1ccc(NC(=O)c2nnn(CC(=O)Nc3cc(Cl)ccc3OC)c2C)cc1 67322144 SARYMVIBKVZPAU-UHFFFAOYSA-N 443.891 3.538 0 40 IHAB CCOc1cccc(CNC(=O)c2cn(-c3cc(-c4nc(C(C)C)no4)ccn3)cn2)c1 71768492 AJSRPAZLBPGPFG-UHFFFAOYSA-N 432.484 3.769 0 40 IHAB CC(=O)NCC1CCC(c2c(C(=O)N3CCN(C(C)=O)CC3)sc3ccccc23)CC1 72348371 UOOWXDNSLQMVQR-UHFFFAOYSA-N 441.597 3.616 0 40 IHAB CNC(=O)c1sc2ccccc2c1[C@H]1CCN(S(=O)(=O)c2cn(C(C)C)nc2C)C1 72352272 BHWJMPOBPXZNSS-HNNXBMFYSA-N 446.598 3.525 0 40 IHAB CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](c3ccnc(Nc4ccc(C)cn4)n3)C2)cc1 72378002 AILUVXRLOLFCNO-LJQANCHMSA-N 430.512 3.902 0 40 IHAB CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CO)c1ccccc1 80356987 DFNGYJFFBFOERS-UKILVPOCSA-N 430.548 3.809 0 40 IHAB CCS(=O)(=O)CCn1ccc(NCc2cc(Cl)ccc2OCc2cccnc2)n1 84811068 OVRKQNCJHRPTHB-UHFFFAOYSA-N 434.949 3.557 0 40 IHAB CCC(CC)[C@@H](C(=O)NCc1ccc(Cn2cnc3ccccc32)cc1)N1CCOCC1 95401835 GXKOOSQPRDQQTD-VWLOTQADSA-N 434.584 3.838 0 40 IHAB COC(=O)Nc1ccc(CNC(=O)Nc2ccc(S(C)(=O)=O)c(C(F)F)c2)cc1 95987546 SXLKWNARGVYOKV-UHFFFAOYSA-N 427.429 3.528 0 40 IHAB COCCN1C(=O)c2ccccc2[C@H](C(=O)NCc2nc3ccccc3[nH]2)C12CCCCC2 96344398 CQIBJZFLTDBLEN-HSZRJFAPSA-N 446.551 3.768 0 40 IHAB CS(=O)(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)OCO2 108085334 ZDOIVGVAXPPPNI-UHFFFAOYSA-N 440.477 3.612 0 40 IHAB CCOC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(Br)cc1 113881015 UGGPFARYKPBWQJ-UHFFFAOYSA-N 426.332 3.824 0 40 IHAB CC(C)Oc1ccc(CNC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 113955447 COFBPSYHBFAWIX-UHFFFAOYSA-N 438.977 3.990 0 40 IHAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1nc(-c2ccc(OC)cc2OC)no1 219615331 UPXBAGGJGFMUKP-QGZVFWFLSA-N 431.876 3.881 0 40 IHAB Cc1ccccc1OC[C@@H](C)NC(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 219636187 AGULCKSOECCARH-QGZVFWFLSA-N 438.977 3.778 0 40 IHAB COc1cc(N(CC(=O)Nc2ccc(C)c(Cl)c2)S(C)(=O)=O)c(OC)cc1Cl 220055679 CTWDRYTXKIASSY-UHFFFAOYSA-N 447.340 3.724 0 40 IHAB Cc1ccc(OCCNC(=O)[C@H](C)N(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1 220256270 ZLVDGAYZECYJOL-AWEZNQCLSA-N 445.368 3.652 0 40 IHAB CC[C@@H](C(=O)NCCSC(C)(C)C)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 220758280 RFYGRUNYODWZJK-AWEZNQCLSA-N 437.027 3.541 0 40 IHAB COc1ccc(C)cc1N([C@@H](C)C(=O)NCc1ccc2ccccc2c1)S(C)(=O)=O 222806734 UQNHILKIRGCQGO-KRWDZBQOSA-N 426.538 3.628 0 40 IHAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1OC 223630574 LFYCWSDKXRNORV-FQEVSTJZSA-N 442.556 3.805 0 40 IHAB CSc1ccc(S(=O)(=O)NCc2cccc(F)c2)cc1C(=O)N1CCC(C)CC1 223892411 KEYISAKQFPJKNI-UHFFFAOYSA-N 436.574 3.898 0 40 IHAB CC[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N(c1cccc(OC)c1)S(C)(=O)=O 224889426 XNXNPBKFZIPXLF-QGZVFWFLSA-N 446.447 3.777 0 40 IHAB CC[C@@H](NC(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O)c1ccc(OC)c(C)c1 225349422 COHMMNVRBIKZGR-GOSISDBHSA-N 438.977 3.999 0 40 IHAB CC(C)(NC(=O)c1cccc(F)c1)C(=O)N1CCOC[C@@H](Cc2cccc3ncccc23)C1 257238729 HMHHQOYSYXCCHP-SFHVURJKSA-N 449.526 3.600 0 40 IHAB COc1ccccc1[C@@H]1CN(C(=O)C2(c3ccc(Cl)cc3)CCOCC2)CCN1C 257260844 LERRDJJMBNOPQU-NRFANRHFSA-N 428.960 3.912 0 40 IHAB CC1(C(=O)N2CCC[C@@H](Cc3ccccn3)C2)CCN(C(=O)Cc2ccccc2F)CC1 257276641 NUOIKCAEGJGZAT-FQEVSTJZSA-N 437.559 3.873 0 40 IHAB CCc1nc(C)c(C(=O)N2CCO[C@@H](c3cc(Nc4nc(C)cc(C)n4)cc(C)n3)C2)o1 257322230 WFCMQLYLQLOXKH-LJQANCHMSA-N 436.516 3.613 0 40 IHAB COc1ccc(C(=O)N2CCN(C(C)=O)C[C@H]2c2ccccc2)cc1OCc1ccccn1 257330428 XOJOOGUXQFMCIV-QHCPKHFHSA-N 445.519 3.715 0 40 IHAB COc1cc(NS(=O)(=O)c2ccc(C)c(C(=O)NCC(C)C)c2)c(OC)cc1Cl 408596226 TWPMYWOODVMKRG-UHFFFAOYSA-N 440.949 3.852 0 40 IHAB O=C1Nc2ccccc2/C1=C1/SC(=O)N(CC(=O)c2ccc(Br)cc2)C1=O 409225311 MSKXIUYVFOBYIC-NXVVXOECSA-N 443.278 3.691 0 40 IHAB COc1ccc(NC(=O)CN2CC[C@]3(O)CCCC[C@H]3[C@@H]2c2ccc3c(c2)OCO3)cc1 504705210 BVNRRQKOVUQHSQ-KSNOWIBYSA-N 438.524 3.731 0 40 IHAB biogenic Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)c1nccnc1C(=O)Nc1ccc(Cl)cc1 516788719 KPPSVJORQUZKMK-MSOLQXFVSA-N 448.914 3.576 0 40 IHAB Cc1c(C(=O)N2CC[C@@H](c3ccccc3Cl)S(=O)(=O)CC2)cnn1-c1ccccc1 575414565 BNPPOCJPEVSYNN-NRFANRHFSA-N 443.956 3.836 0 40 IHAB CC(C)N1Cc2c(-c3ccccc3)ncn2[C@@]2(CCCN(C(=O)Cc3ccccn3)C2)C1 585107055 PETUOFDHCQCNHT-AREMUKBSSA-N 429.568 3.730 0 40 IHAB CCCOc1cccc(-c2ccc3c(c2)CN2CCC[C@@H](C2)C(=O)NCCOCCO3)c1 643571346 HUDUMMMWQZXKKZ-QFIPXVFZSA-N 438.568 3.880 0 40 IHAB CCn1cc([C@@H]2CSCCN2C(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)cn1 683364865 BZWYOMXESXJWTP-AVRDEDQJSA-N 434.565 3.726 0 40 IHAB O=S(=O)(NC[C@H](O)c1ccc(-c2ccco2)s1)c1ccc(OC(F)(F)F)cc1 1775968631 HZERMZMPVXUDBA-ZDUSSCGKSA-N 433.429 3.919 0 40 IHAB Cc1nc(N2CCC[C@@H](COc3ncc(Br)cn3)C2)cc(C(F)(F)F)n1 1775996004 QJFPXYNWYHNUMH-LLVKDONJSA-N 432.244 3.652 0 40 IHAB COC(OC)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12 712641 DASXGRFLWVXOHQ-FPAXGFGJSA-N 443.474 3.995 0 40 IHAB COc1ccc(-c2nnc3c(N(C)S(=O)(=O)c4ccccc4)nc4ccccc4n23)cc1 2435909 IRQVUUXGUAYTDP-UHFFFAOYSA-N 445.504 3.778 0 40 IHAB O=C(COC(=O)C1c2ccccc2Oc2ccccc21)Nc1ccc(N2CCOCC2)cc1 3349635 QWPQJQCFKXFANZ-UHFFFAOYSA-N 444.487 3.943 0 40 IHAB CCN(CC)CCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=S)NCc1ccco1 4133714 VMIRELIBQSHBRP-UHFFFAOYSA-N 426.586 3.648 0 40 IHAB Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NC(=O)[C@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)O 4174186 LIZVVNFAFNWMLU-QZWWFDLISA-N 438.311 3.672 0 40 IHAB CCOc1ccc(N2C[C@@H](c3nc(-c4cc(OC)c(OC)c(OC)c4)no3)CC2=O)cc1 8605165 MTZVACCZKQRVAT-HNNXBMFYSA-N 439.468 3.682 0 40 IHAB CCOC(=O)c1sc(-c2ccc(F)cc2)cc1NC(=O)CSc1nnc(N)s1 8942299 ZCXKOXQGKCVIPI-UHFFFAOYSA-N 438.531 3.895 0 40 IHAB COc1ccc(CCNC(=O)c2ccccc2NC(=O)CNc2ccccc2C(C)=O)cc1 9128459 MVLIYWLLTUOLEN-UHFFFAOYSA-N 445.519 3.921 0 40 IHAB C[C@H]1CCCC[C@H]1NC(=O)CSc1nnc(-c2cc(Br)ccc2O)n1C 9239254 MNOMTZNJRFIDJS-SMDDNHRTSA-N 439.379 3.737 0 40 IHAB Cc1ccc2nc(N(Cc3cccnc3)C(=O)CN3C(=O)c4ccccc4C3=O)sc2c1 9241487 GFGQIZWCZBWNKB-UHFFFAOYSA-N 442.500 3.829 0 40 IHAB Cc1cccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc(Br)c3)CC2=O)c1C 9257510 BVDNOGCUJYGBGL-HNNXBMFYSA-N 445.313 3.601 0 40 IHAB CC(C)n1c(CNC(=O)c2ccccc2F)nnc1S[C@H](C)C(=O)Nc1nccs1 9264004 RITQKTOZRUSRRX-GFCCVEGCSA-N 448.549 3.504 0 40 IHAB CCN1CCN(c2ccc(NC(=O)[C@@H](CC(C)C)NC(=O)c3ccccc3C)cc2)CC1 9339100 XDPQKURQVZXZTQ-XMMPIXPASA-N 436.600 3.920 0 40 IHAB O=C(CSc1nc(-c2ccc(Br)cc2)n[nH]1)c1ccc2c(c1)OCCO2 9509607 KWFOFFXTUOKEQN-UHFFFAOYSA-N 432.299 3.980 0 40 IHAB O=C(COc1ccccc1F)Nc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCC2 9569425 RTUPJWDBOKVBRF-UHFFFAOYSA-N 440.496 3.985 0 40 IHAB CC1CCC2(CC1)NC(=O)N(CC(=O)N(CCc1ccccc1)Cc1cccs1)C2=O 9834895 DZBPSJJMDCLNFL-UHFFFAOYSA-N 439.581 3.820 0 40 IHAB COc1cc(CN(C)[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)ccc1OCc1ccccc1 9877230 VCPURNOUDGEQSQ-GOSISDBHSA-N 447.535 3.832 0 40 IHAB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2ccc(Br)cc2)n2nnnc2N1 9942116 HBJYWPBQTMXOOZ-GOSISDBHSA-N 439.317 3.980 0 40 IHAB COC(=O)c1ccccc1NC(=O)c1cc2cccnc2n(Cc2ccccc2F)c1=O 10188155 XEHLGPVKNYQAKE-UHFFFAOYSA-N 431.423 3.623 0 40 IHAB COc1ccc(N(CCCC(=O)Nc2cccc(C(C)=O)c2)S(C)(=O)=O)cc1Cl 10367068 POPMFSPYKBIZSP-UHFFFAOYSA-N 438.933 3.736 0 40 IHAB CC[C@H](NC(=O)COc1ccc2c(=O)c(-c3ccc(Cl)cc3)c(C)oc2c1)C(=O)O 11866161 YSCFPOPJRALVCE-KRWDZBQOSA-N 429.856 3.780 0 40 IHAB Cc1c(-c2ccc(Cl)cc2)c(=O)oc2cc(OCCN3CCC(C(N)=O)CC3)ccc12 11866404 RSBQNIISFAWFSV-UHFFFAOYSA-N 440.927 3.998 0 40 IHAB biogenic C[C@@H](Oc1cccc(F)c1)C(=O)N1CCC[C@H](c2nc3ccc(F)cc3cc2C(N)=O)C1 12219699 OZEOIZJVJKYTAH-CABCVRRESA-N 439.462 3.785 0 40 IHAB CCc1nc2sc([C@@H](c3ccc(Cl)c(Cl)c3)N3CCC(O)CC3)c(O)n2n1 12341979 HRGUVESXFQKFOX-OAHLLOKOSA-N 427.357 3.912 0 40 IHAB O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCN(c2nsc3ccccc23)CC1 12360257 QNSJVRBXLGCMSR-UHFFFAOYSA-N 443.472 3.706 0 40 IHAB O=C(CCn1cnc2c(cnn2-c2ccccc2)c1=O)Nc1ccc(OC(F)(F)F)cc1 12440196 FPVMATBHLKPZKE-UHFFFAOYSA-N 443.385 3.510 0 40 IHAB CC(C)(C)NC(=O)[C@H](c1ccccc1F)N(Cc1ccccc1)C(=O)c1csnn1 12871696 CYJPIQHIXYSQAB-IBGZPJMESA-N 426.517 3.976 0 40 IHAB COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2csnn2)C2CCCC2)cc1 12873447 KLXUFMFOFLSYJL-HXUWFJFHSA-N 428.558 3.732 0 40 IHAB COc1ccc(CN(C)C(=O)CSc2nnc(-c3cccc(C)c3)n2C)cc1OC 12885174 UKQXUOGLQHXKDA-UHFFFAOYSA-N 426.542 3.558 0 40 IHAB Cc1ccc(OCCN(C)C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc1 13002527 KHNQHYDPHIAPJA-UHFFFAOYSA-N 436.961 3.584 0 40 IHAB Cn1c(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nnc1-c1cnccn1 13514090 HFUHXYFSAMMSIM-UHFFFAOYSA-N 428.827 3.675 0 40 IHAB CC[C@H](C(=O)Nc1ccccc1Br)N(c1ccc(C)cc1)S(C)(=O)=O 13713157 RDOLIBRKGYQYCQ-QGZVFWFLSA-N 425.348 3.941 0 40 IHAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)COc2ccccc2C(N)=O)cc1 14903904 OICPAIBRDZGWGL-QFIPXVFZSA-N 429.476 3.551 0 40 IHAB O=C(Cc1ccccc1)NCC(=O)OCC(=O)c1c(-c2ccccc2)[nH]c2ccccc12 15513025 WTZQPHFTMPFGNJ-UHFFFAOYSA-N 426.472 3.920 0 40 IHAB COc1cc(OC)c(-n2nnc(-c3nc(-c4ccc5c(c4)OCO5)no3)c2C)cc1Cl 15731613 ZJTPBKDOZRFOPI-UHFFFAOYSA-N 441.831 3.692 0 40 IHAB COc1ccc(-c2cc3c(SCC(=O)Nc4ccc5c(c4)OCCO5)nccn3n2)cc1 16954711 QBUUHJIXDZXZFT-UHFFFAOYSA-N 448.504 3.907 0 40 IHAB CC(=O)[C@H]1[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]2[C@@H]2C=Cc3ccccc3N21 17994168 UTHLGSOXEIDBAC-MUGJNUQGSA-N 426.394 3.684 0 40 IHAB C[C@@H](OC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1)C(=O)NCc1ccco1 19166450 RXGYQLKACXWHTH-MRXNPFEDSA-N 440.521 3.706 0 40 IHAB CC(C)NC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CN(C(=O)C2CCCCC2)CCO1 19449671 IPDAAUWGFBVEAP-HHHXNRCGSA-N 449.595 3.994 0 40 IHAB CCC(CC)C(=O)N1CCC[C@@H](c2nc(O)c3c(n2)CCN(Cc2cccs2)C3)C1 19500144 IKFYEMZOQRBVRT-QGZVFWFLSA-N 428.602 3.944 0 40 IHAB CCN1CC[C@]2(CCC1=O)C[C@H](NC(=O)Cn1c(C)nc3ccccc31)c1ccccc1O2 19527092 XZRDJNAXXGIBED-HFZDXXHNSA-N 446.551 3.756 0 40 IHAB CNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)COc2ccccc2)C1 19591123 NYANMPJGRXLOKG-MHZLTWQESA-N 443.547 3.725 0 40 IHAB Nc1ccc(-c2ccc([C@@H]3CCCN(C(=O)Cc4ccc5c(c4)CCCO5)C3)nc2)cn1 19689311 HPEMDMCEHAAWBE-JOCHJYFZSA-N 428.536 4.000 0 40 IHAB CCOC(=O)[C@@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@@H]1c1ccccn1 19820803 NNWYFHBVERQCRH-XZOQPEGZSA-N 440.503 3.789 0 40 IHAB C[C@H]1C[C@H](C)CN(Cc2csc(NC(=O)c3ccc(CN4C(=O)CCC4=O)cc3)n2)C1 22294890 NHUPRFMOZKTJOB-HOTGVXAUSA-N 440.569 3.522 0 40 IHAB O=C(c1ccoc1)N1CCC(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 24440077 XFJJFWCXLDLXGN-UHFFFAOYSA-N 436.839 3.535 0 40 IHAB C[C@](Cc1nc2ccccc2s1)(C(=O)N1CCN(c2ncccn2)CC1)c1ccccc1 30822309 KGOFVDGUWQVJKG-RUZDIDTESA-N 443.576 3.936 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)N(C)Cc3nccn3C(F)F)cc2)c1 31153045 FNXCFBNQPIOVQV-UHFFFAOYSA-N 448.495 3.968 0 40 IHAB O=C(CSc1nc(-c2ccco2)nc2ccccc12)N1CCN(c2ccccn2)CC1 31175242 RXVMJRKJHADRQH-UHFFFAOYSA-N 431.521 3.726 0 40 IHAB CC(=O)c1cccc(N2C(SCc3ccc(C)c(C)c3)=N[C@@H]3CS(=O)(=O)C[C@H]32)c1 32641103 XYFCYCZBFKYJAL-NHCUHLMSSA-N 428.579 3.781 0 40 IHAB COc1cc(CNC(=O)[C@H](NC(=O)c2c(F)cccc2F)C(C)C)ccc1OC(F)F 32740905 VZMHAKFLRRKNKZ-GOSISDBHSA-N 442.409 3.646 0 40 IHAB Cc1cc(CN2CCN(C(=O)c3cc(-c4ccccc4)nn3-c3ccccc3)CC2)no1 32741383 DOUGHIXGOGUOAB-UHFFFAOYSA-N 427.508 3.794 0 40 IHAB COc1ccccc1N1C(=O)[C@@H]2[C@H]3c4ccccc4C=CN3[C@@H](C(=O)C(C)(C)C)[C@@H]2C1=O 34380148 TVGKUGGUPLPVIQ-DXBBTUNJSA-N 430.504 3.826 0 40 IHAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OCc4ccccc4)cc3)C2=O)o1 35074564 AQDIXDAUBGZPRF-MOSHPQCFSA-N 432.432 3.738 0 40 IHAB CC(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2cccc(Cl)c2)nc1O 35377930 BIGDQPJYKNTGHW-UHFFFAOYSA-N 429.889 3.587 0 40 IHAB COc1cc(N2C(=O)C[C@H](c3ccc(F)cc3)c3sc(=O)n(C)c32)cc(OC)c1OC 49549147 OLIGCLYKELYSNW-OAHLLOKOSA-N 444.484 3.812 0 40 IHAB O=C(CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1)Nc1ccc(Cl)cc1F 51316713 YMMVLSIWAISVHZ-UHFFFAOYSA-N 429.864 3.632 0 40 IHAB O=C(Cn1c(=O)n(Cc2ccccc2F)c(=O)c2sccc21)Nc1cccc(Cl)c1 57426744 DMBYROIEYSXKKW-UHFFFAOYSA-N 443.887 3.704 0 40 IHAB Cc1cc(F)ccc1NC(=O)Cn1c(=O)n(CCc2cccs2)c(=O)c2sccc21 57494076 PGBLTNWQVGADKT-UHFFFAOYSA-N 443.525 3.615 0 40 IHAB COC(=O)c1ccc(NC(=O)Cn2c(=O)cc(-c3nc(C(C)C)no3)c3ccccc32)cc1 65154336 KQDBYLCXSMVGNV-UHFFFAOYSA-N 446.463 3.600 0 40 IHAB O=C1NC(=O)C2(CCC(C(=O)O[C@@H](c3cccc(C(F)(F)F)c3)C(F)(F)F)CC2)N1 72310801 JBUNFFWMDOBSQF-WAUNPFCKSA-N 438.324 3.620 0 40 IHAB CCOc1ccc(-c2noc(CCC(=O)N(C)Cc3cc(Br)cn3C)n2)cc1 84809412 HKFKRKBSXYTMGD-UHFFFAOYSA-N 447.333 3.828 0 40 IHAB Cc1nc(Nc2ccccn2)cc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)n1 90607924 CEHJCHLDTOEVQO-UHFFFAOYSA-N 442.445 3.905 0 40 IHAB COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N1CCC(n2ccnn2)CC1 95431515 DUANRKSRJKDGOF-UHFFFAOYSA-N 428.496 3.617 0 40 IHAB CCOc1ccc([C@H](N)c2nc(-c3cc(Br)ccc3O)n[nH]2)cc1OCC 95534564 ODNQHWVWNFUKTP-KRWDZBQOSA-N 433.306 3.785 0 40 IHAB CC1=C[C@H]([C@H]2CC(=O)N(c3ccccc3C)C2=O)C[C@H]2C(=O)N(c3ccccc3C)C(=O)[C@H]12 100073776 JQRMVDOOOSTCBW-UECWXEIQSA-N 442.515 3.955 0 40 IHAB O=C(NC1CCCC1)[C@H]1N(CCc2ccccc2)C(=O)[C@H]2[C@@H](c3ccccc3)[C@H]3C=C[C@@]21O3 100435353 VXXBXHDZSRRRIA-UXKLQOBYSA-N 442.559 3.606 0 40 IHAB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1nn(Cc2ccc(Cl)cc2)cc1Br 101569634 YNNLIBKIVHOOEB-GVAFMPQTSA-N 432.705 3.659 0 40 IHAB CC(=O)c1cccc(NC(=O)[C@@H](C)N(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c1 220433669 QOKRWWBDGKZRAG-LLVKDONJSA-N 429.325 3.989 0 40 IHAB O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)Nc1ccc2sncc2c1 222627739 WUDPNROHRZQQFN-UHFFFAOYSA-N 445.566 3.925 0 40 IHAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 223002491 CAOCTEZWBRVWPU-QGZVFWFLSA-N 444.597 3.634 0 40 IHAB C[C@H]1Cc2cc(Br)ccc2N1C(=O)c1cnc2sc3c(n2c1=O)CCCC3 223040235 CFSHGZTYPBADRK-NSHDSACASA-N 444.354 3.989 0 40 IHAB COc1ccc([C@@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccc(OC)cc3)c2)cc1 224043221 DTISQAPYKHUOTF-MRXNPFEDSA-N 440.521 3.996 0 40 IHAB CCc1nn(C)c(C(=O)N2CCN(C)C(=O)[C@@H]2Cc2ccccc2-c2ccc(F)cc2)c1C 257253464 JZAVYSOBJAYATD-QHCPKHFHSA-N 448.542 3.623 0 40 IHAB CCc1ccc(N([C@@H](C)C(=O)Nc2ccccc2C(=O)N[C@H](C)CC)S(C)(=O)=O)cc1 260588107 FXCFYLGTDKWQKR-SJORKVTESA-N 445.585 3.571 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)c3ccc4c(c3)CCC4)C2)cc1 260937221 PRGMSIBJTGESPW-AVRDEDQJSA-N 426.582 3.762 0 40 IHAB COc1cc(C(=O)Oc2ccc(Br)cc2/C=C/[N+](=O)[O-])cc(OC)c1OC 408538009 YKGUNRXNUYLOBU-VOTSOKGWSA-N 438.230 3.942 0 40 IHAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)cc1Cl 408551248 GXQQUWLZTSYJKG-SECBINFHSA-N 437.732 3.961 0 40 IHAB Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@@H](C)C=CC[C@H]4C3=O)cc2)cc1C 408668656 VHYZSJNORNUKHB-YTJPUZGESA-N 446.503 3.801 0 40 IHAB Cc1ccc(N2C[C@@H](C(=O)Nc3cccc(C(=O)Nn4c(C)ccc4C)c3)CC2=O)cc1 408687399 UDEILOAFHAUKLF-FQEVSTJZSA-N 430.508 3.789 0 40 IHAB Cc1ccc(NC(=O)Cn2cc(/C=C3/SC(=O)N(CC(=O)O)C3=O)c3ccccc32)cc1 409139701 DHLBGGCAOKMKEY-VXLYETTFSA-N 449.488 3.709 0 40 IHAB COc1ccc([C@H](CC(=O)O)NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1 590409434 IPGIQLXMWXMHBJ-GOTSBHOMSA-N 446.503 3.889 0 40 IHAB COCC(=O)N1CCCCCCCCN(C(=O)CCc2ccnn2C)Cc2ccccc21 643554127 LQSOHKVDKNLZJT-UHFFFAOYSA-N 440.588 3.715 0 40 IHAB CS(=O)(=O)c1ccc(CCC(=O)NC[C@@H](O)c2ccc(-c3ccsc3)s2)cc1 1775966741 WXJJAFIPBXYCDH-QGZVFWFLSA-N 435.592 3.663 0 40 IHAB CCCC[C@H](NC(=O)COc1ccc2c(-c3ccc(OC)cc3)cc(=O)oc2c1)C(=O)O 2158714 KZZXHLPUPKWYDO-FQEVSTJZSA-N 439.464 3.607 0 40 IHAB biogenic Cc1cc(Br)ccc1NC(=O)CSc1nnc(-c2ccccc2F)n1N 2376435 INQRXZWPBQIBRX-UHFFFAOYSA-N 436.310 3.600 0 40 IHAB CC(C)n1nc(C(=O)O[C@@H](C)C(=O)Nc2ncc(Cl)cc2Cl)c2ccccc2c1=O 2654724 UXILMXWYWMKSLU-NSHDSACASA-N 449.294 3.863 0 40 IHAB CCOC(=O)c1c(NC(=O)COC(=O)c2cccc(C)c2O)sc2c1CC[C@H](C)C2 3294641 COQZBBUNJPPEGW-LBPRGKRZSA-N 431.510 3.859 0 40 IHAB COc1ccc(/C=C/C(=O)OCC(=O)c2cc(C)n(C[C@@H]3CCCO3)c2C)cc1OC 3314018 LTISTSVWDJZFKG-RQMBKDMJSA-N 427.497 3.740 0 40 IHAB Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)cc1 3466696 SXHYLZQMGATVKZ-UHFFFAOYSA-N 429.428 3.597 0 40 IHAB COc1ccc(C)cc1-n1nnnc1S[C@@H](C)C(=O)Nc1ncc(Cl)cc1Cl 3533469 OPVHODNUOJHPGR-JTQLQIEISA-N 439.328 3.800 0 40 IHAB O=C(Nc1ccnn1Cc1ccncc1)c1cccnc1Sc1ccc2c(c1)OCCO2 8826484 AIGOAQXJXOTVAR-UHFFFAOYSA-N 445.504 3.896 0 40 IHAB O=c1/c(=C/c2cccnc2)sc2n1[C@@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 9015863 UGHXOBDGPHXBON-VLOXRPPESA-N 427.554 3.775 0 40 IHAB CN1CCc2c(sc3c2C(=O)N[C@H](c2cccc(OC(=O)c4cccs4)c2)N3)C1 9302085 PJNRYSAVQHQPGZ-SFHVURJKSA-N 425.535 3.871 0 40 IHAB aggregator CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1nnc(NC(=O)c2ccc(C)cc2)s1 9405051 VINPOGFZAHPNKV-UHFFFAOYSA-N 430.555 3.931 0 40 IHAB CC(=O)Nc1ccc(S(=O)(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C(C)C)cc1 9410202 IFQAMJXYALTTCV-UHFFFAOYSA-N 448.932 3.948 0 40 IHAB O=S(=O)(c1ccc(SCc2nc(-c3cccc(Cl)c3)no2)nc1)N1CCCC1 9469275 UVRYCWIOYKPBNV-UHFFFAOYSA-N 436.946 3.862 0 40 IHAB Cn1nc(C(=O)O[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)c2ccccc2c1=O 9664609 JWBZCTMCPOUNEA-OAQYLSRUSA-N 431.423 3.609 0 40 IHAB CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1csc(-c2cccs2)n1 9862977 UASFQHYPBVSJKK-UHFFFAOYSA-N 428.583 3.779 0 40 IHAB CCOc1ccccc1CCCNC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O 10110988 JYKOZISTPYPBEL-MRXNPFEDSA-N 438.977 3.642 0 40 IHAB COc1cc(Br)c(CC(=O)NCc2ccccc2OC(F)F)cc1OC 10114804 WYNKNWAPJQSATK-UHFFFAOYSA-N 430.245 3.927 0 40 IHAB COc1cccc(N2CCN(C(=O)c3cnc(Nc4nc5ccccc5o4)nc3C)CC2)c1 10157605 SJZVOVZVIYMCPY-UHFFFAOYSA-N 444.495 3.641 0 40 IHAB Cc1c(O)ccc2c(CSc3ccc(S(=O)(=O)N4CCCCC4)cn3)cc(=O)oc12 10323448 ZIMYVOCCHREOTK-UHFFFAOYSA-N 446.550 3.669 0 40 IHAB COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CSc1nccn1-c1cc(C)ccc1C 10880116 WVRPMWIRYBJLFH-OAQYLSRUSA-N 435.549 3.708 0 40 IHAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCOc2ccc3ccccc3c2)c1 10993169 RNIMSXDONTVOAR-UHFFFAOYSA-N 432.929 3.552 0 40 IHAB Cc1nc(-n2nc(-c3ccco3)cc2NC(=O)CSCc2ccccc2)[nH]c(=O)c1C 12008336 APMRJNYOFDTBBZ-UHFFFAOYSA-N 435.509 3.704 0 40 IHAB Cn1ccnc1[C@@H](NC(=O)COc1c(Cl)cc(C(=O)O)cc1Cl)c1ccccc1 12535332 PSEONZPBMRPFMF-KRWDZBQOSA-N 434.279 3.710 0 40 IHAB C[C@@H]1CC[C@@H](c2cccn2C)N(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)CC1 12803718 VQBACKJNZSQYMZ-QRWLVFNGSA-N 437.993 3.932 0 40 IHAB Nn1c(SCc2nc3ccsc3c(=O)[nH]2)nnc1-c1ccc(Cl)cc1Cl 12889713 FCQNRRQFAAKISY-UHFFFAOYSA-N 425.326 3.556 0 40 IHAB CC(C)CCNC(=O)[C@@H](c1cccnc1)N(C(=O)Cn1nnc2ccccc21)C1CCCC1 13030726 MCOVJPZFNOOEOT-XMMPIXPASA-N 448.571 3.501 0 40 IHAB C[C@@H](NC(=O)CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1cccs1 13058543 FVHZBQKRJYNHCY-GFCCVEGCSA-N 432.899 3.815 0 40 IHAB O=C(CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)Nc1ccc(F)cc1F 13059725 FHBGGHPCEALSTA-UHFFFAOYSA-N 434.796 3.793 0 40 IHAB CCOc1cc(/C=C2\N=C(c3ccccc3C)OC2=O)cc(Cl)c1OCC(=O)N(C)C 13096747 WJXFCXRESQQILH-WQRHYEAKSA-N 442.899 3.859 0 40 IHAB COc1ccc(S(=O)(=O)NCCCc2cccc(C)c2)cc1C(=O)N1CCCCC1 13669033 QAGOZAWKHVNLQL-UHFFFAOYSA-N 430.570 3.541 0 40 IHAB COC(=O)[C@H](CC(C)C)NC(=O)CCN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc12 13955626 UOXXBXZFBJUJPO-LADGPHEKSA-N 447.535 3.807 0 40 IHAB O=C(Nc1nnc(-c2ccco2)s1)c1nn(Cc2ccccc2)c(=O)c2ccccc12 14186002 ZIUFMHCWCHXNCU-UHFFFAOYSA-N 429.461 3.809 0 40 IHAB Cc1nc(COc2ccccc2C(=O)NCc2ccccc2CN2CCOCC2)cs1 14251050 DPRYXRRABYAHNC-UHFFFAOYSA-N 437.565 3.793 0 40 IHAB Cn1ccnc1[C@@H](NC(=O)CCn1c(-c2cccs2)n[nH]c1=S)c1ccc(F)cc1 14403778 ZRRCAHWLMNHYHX-KRWDZBQOSA-N 442.545 3.838 0 40 IHAB Cc1cc(C(=O)CCC(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)c(C)s1 14731507 NVCDTYBKUQGTDD-UHFFFAOYSA-N 427.570 3.547 0 40 IHAB Cc1cc(NS(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)cc(C)c2C)ccc1Br 15866604 QTWLDIVPRSAINT-UHFFFAOYSA-N 448.342 3.925 0 40 IHAB COc1cc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)c(OC)cc1Cl 15970424 ONUGDKREGLOFFA-UHFFFAOYSA-N 438.933 3.702 0 40 IHAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cs1 16277249 REFYGBDQXBBHNW-UHFFFAOYSA-N 438.553 3.508 0 40 IHAB O=S(=O)(Cc1ccc(Cl)cc1)c1ccc(N2CCN(c3ccccc3F)CC2)nn1 16843722 ZFUZCTXFTCISNC-UHFFFAOYSA-N 446.935 3.570 0 40 IHAB O=C(CN1CCC2(CC1)NC(=O)N(Cc1ccc(Cl)cc1)C2=O)c1ccc(Cl)cc1 17155823 CZNXEJTYROZKQF-UHFFFAOYSA-N 446.334 3.763 0 40 IHAB CC(C)CNC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)c2cnccn2)C1 19447304 IVSSOJKMPOLLJJ-MHZLTWQESA-N 442.563 3.991 0 40 IHAB COc1cc2c(cc1CN1C[C@@H](c3cccc(F)c3)[C@@]3(COCCC(=O)N3)C1)CCCC2 19550628 OHMUNKOBPDBNQO-OZXSUGGESA-N 438.543 3.588 0 40 IHAB CN(C)c1ncc(-c2ccc(F)cc2)c([C@H]2CCCN(C(=O)c3n[nH]c4c3CCCC4)C2)n1 19693923 USSKBTISDGCGNA-KRWDZBQOSA-N 448.546 3.970 0 40 IHAB Cc1nc([C@@H]2CCCN2C(=O)c2cccnc2)nc2c1CCC(=O)N2CCc1ccccc1 19696070 ZMFQBFYRFBXZLC-QFIPXVFZSA-N 441.535 3.679 0 40 IHAB CN(C)C(=O)C1(Cc2cccc(-c3cncnc3)c2)CCN(C(=O)C2CCCCC2)CC1 19700354 PMJVWMGQLQVPJD-UHFFFAOYSA-N 434.584 3.963 0 40 IHAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(F)cc1)N(CCCN1CCOCC1)C3=O 19861561 ZNGNCMCDFXRISH-JOCHJYFZSA-N 436.483 3.508 0 40 IHAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1 20019501 VIRUGCSHKZLWOK-UHFFFAOYSA-N 448.438 3.796 0 40 IHAB Cc1ccc(C)c(N(CC(=O)Nc2ccc(C(F)(F)F)cc2)S(=O)(=O)N(C)C)c1 20244863 UXUYTQHSFZVVJP-UHFFFAOYSA-N 429.464 3.574 0 40 IHAB CNc1nc(N2CCN(Cc3ccccc3)CC2)nc2c1C(=O)C[C@@H](c1ccccc1)C2 20478171 BRNAQHDJLNISJV-NRFANRHFSA-N 427.552 3.753 0 40 IHAB CC[C@@H](Oc1ccccc1)C(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2 21894127 SPVWUDAZPDENPX-GOSISDBHSA-N 428.554 3.895 0 40 IHAB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cccc(F)c2)cc1 22271385 VICRRMHGIVTFGT-QFIPXVFZSA-N 442.512 3.753 0 40 IHAB O=C(NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1cccc(-n2cnnn2)c1 24989740 DIAKZWRQLFIDEU-UHFFFAOYSA-N 439.454 3.584 0 40 IHAB Cc1ccc(-n2cnnc2SCC(=O)N(C)CC(=O)Nc2ccc(F)cc2)cc1Cl 25679897 DKGFTPXYPCXECG-UHFFFAOYSA-N 447.923 3.557 0 40 IHAB O=C(Nc1cccnc1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 26110049 AXOQFSBGDWZLPG-AWEZNQCLSA-N 428.341 3.569 0 40 IHAB NC(=O)c1c(NC(=O)CCn2nc(C(F)(F)F)cc2C2CC2)sc2c1CCCC2 28228075 OHQKBHTURARSLN-UHFFFAOYSA-N 426.464 3.847 0 40 IHAB COc1ccc(Nc2nnc(SCc3ccccc3)n(-n3cccc3)c2=O)cc1OC 28536117 FFWCGCBASNIVNK-UHFFFAOYSA-N 435.509 3.804 0 40 IHAB CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)N(C)Cc1cnn(Cc2ccccc2)c1 32810736 TWPMAHYPZZBLQL-JOCHJYFZSA-N 440.494 3.623 0 40 IHAB CN1CCC2(CC1)N=C(SCC(=O)Nc1cc(F)ccc1F)C(c1ccccc1)=N2 35372780 XMQGIRIPWSCGDT-UHFFFAOYSA-N 428.508 3.960 0 40 IHAB CN1C[C@H](c2ccccc2F)[C@]2(COc3ccccc3C2=O)[C@]12C(=O)Nc1ccccc12 36382116 MIMUXDSTTFGLPT-PBXQCXKZSA-N 428.463 3.964 0 40 IHAB O=C(NCc1ccccc1Cn1cccn1)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 36390836 WNMRRNRGNJDLCE-UHFFFAOYSA-N 440.482 3.977 0 40 IHAB Cn1ncc2c(C(=O)Nc3cc(C(F)(F)F)ccc3-n3cncn3)cc(C3CC3)nc21 36616711 HFUIYKTWKMKZSX-UHFFFAOYSA-N 427.390 3.698 0 40 IHAB C[C@@H](NC(=O)CCn1c(=O)cc(C(F)F)c2cn(C)nc21)c1ccc(-n2cccc2)cc1 36621285 SCJLQFKWJARIQM-OAHLLOKOSA-N 439.466 3.731 0 40 IHAB CCOc1cc([C@@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@H](C)Nc3ncnn32)ccc1O 36701659 WBBMFNAKLGKZHU-YXKWSERDSA-N 427.892 3.694 0 40 IHAB CC(C)n1nccc1C(=O)N1CCN(c2nc3ccc(OC(F)(F)F)cc3s2)CC1 36708152 PYIPXMSTWIUYGV-UHFFFAOYSA-N 439.463 3.935 0 40 IHAB O=C(N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)c1cc(-c2ccco2)[nH]n1 40107854 YZBKICIKLJCRKT-QGZVFWFLSA-N 432.402 3.782 0 40 IHAB C[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)CCCCCNC2=NS(=O)(=O)c3ccccc32)o1 48262261 BMCZFZCTOFICFN-APWZRJJASA-N 443.569 3.661 0 40 IHAB Cc1ccc(N2CN(CC(=O)Nc3cccc(Cl)c3)S(=O)(=O)c3cccnc32)cc1 49411439 CPGZIXDZKMXEHF-UHFFFAOYSA-N 442.928 3.782 0 40 IHAB CCc1ccc(NC(=O)CSc2nc3[nH]ncc3c(=O)n2-c2ccc(F)c(F)c2)cc1 51316760 VWFAWYVUZMVPMM-UHFFFAOYSA-N 441.463 3.680 0 40 IHAB O=C(Cn1nc2c(-c3nc(-c4ccccc4)no3)cccn2c1=O)Nc1cccc(Cl)c1 57429136 FIGPCQHLLHWUQF-UHFFFAOYSA-N 446.854 3.505 0 40 IHAB CCN(C(=O)Cn1c(=O)n(-c2cc(C)cc(C)c2)c(=O)c2sccc21)c1ccccc1 57492101 XHFRMCDSNOTKLY-UHFFFAOYSA-N 433.533 3.884 0 40 IHAB Cc1nc(COc2cccc(C(=O)N(CCN3CCOCC3)C3CCCC3)c2)cs1 62580577 NVCJWGGBIZLYCT-UHFFFAOYSA-N 429.586 3.748 0 40 IHAB CSc1cccc(NC(=O)CN2CCCC[C@H]2C(=O)Nc2ccc3c(c2)CCO3)c1 72293988 PCQRXPMJQITPKZ-FQEVSTJZSA-N 425.554 3.775 0 40 IHAB Cc1noc(CCC(=O)N2CCCC[C@H]2Cc2c(C(=O)N(C)C)sc3ccccc23)n1 72370510 TUNJTSYVMPEPOC-INIZCTEOSA-N 440.569 3.851 0 40 IHAB COc1ccc(CCn2cc(C(=O)NCCc3ccccn3)c3ccccc3c2=O)cc1 79478931 DMWZCFCEDZWDFT-UHFFFAOYSA-N 427.504 3.620 0 40 IHAB COc1cnc(N2CCO[C@H](c3ccccc3)C2)nc1N1CCO[C@H](c2ccccc2)C1 95971342 JUIAFSQAENKTHE-GOTSBHOMSA-N 432.524 3.641 0 40 IHAB COc1ccccc1[C@H]1[C@@H]2C(=O)N(c3c(Cl)cccc3Cl)C(=O)[C@H]2N2CCCN12 100166000 ZAUDIALSROPSAO-LNLFQRSKSA-N 432.307 3.538 0 40 IHAB CCCCOc1ccc(N2C(=O)C[C@@H](Nc3cnn(Cc4ccc(F)cc4)c3)C2=O)cc1 101526660 HVBOYJNXYLJZFA-JOCHJYFZSA-N 436.487 3.993 0 40 IHAB CCc1ccc(OC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1 102077297 SIFNWVZFBSLBLO-RJQIIPCNSA-N 441.527 3.819 0 40 IHAB COc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccc(OC)cc2)cc1 102692817 YXULWJUBTNSZEX-XPWALMASSA-N 430.460 3.755 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 220560588 KOZIXXCCPUBLML-FQEVSTJZSA-N 432.542 3.663 0 40 IHAB CC[C@H](C(=O)NCCOc1ccc(C)cc1)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O 220739318 KQCQWIOYTWQBBD-HXUWFJFHSA-N 438.977 3.697 0 40 IHAB Cc1ccc(NC(=O)c2cnc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)nc2)c(C)c1 223387923 PJRLSFARTZJGJP-UHFFFAOYSA-N 444.944 3.820 0 40 IHAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)n1C 223927012 MBVYNUBNOSYQJD-DHIUTWEWSA-N 433.581 3.742 0 40 IHAB CCOc1cccc(CNC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(F)cc3)c2)c1 224175002 DJCHMDAJWXNRKR-UHFFFAOYSA-N 442.512 3.980 0 40 IHAB COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(OC)c3)cc2)cc1 224557816 XWHGYJQNAIZHNN-UHFFFAOYSA-N 426.494 3.686 0 40 IHAB CCN(CC)C(=O)C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1CN(C(C)C)CC2=O 253408604 YIVBYZZCHZMSAL-IRYYASCTSA-N 441.616 3.569 0 40 IHAB Cc1cc(C)nc(Nc2ccc([C@H]3CN(C(=O)CCOc4ccccc4C)CCO3)nc2)n1 257337917 YVADHZQQEXIVBB-HSZRJFAPSA-N 447.539 3.909 0 40 IHAB COc1ccc(CNC(=O)c2ccccc2NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 408615187 MZZBXIQSUPCGSZ-IBGZPJMESA-N 443.503 3.617 0 40 IHAB Cc1ccccc1CN(CC(=O)NCc1ccccn1)S(=O)(=O)c1ccc(Cl)cc1 409065421 SBOGQJQSEJHBAT-UHFFFAOYSA-N 443.956 3.551 0 40 IHAB COc1cc(C(=S)N2CCC(C(N)=O)CC2)ccc1OCCOc1ccccc1Cl 409198425 AJQGZSITSNJWOD-UHFFFAOYSA-N 448.972 3.679 0 40 IHAB Cc1ccc(C(=O)N[C@@H](CC(=O)Nc2ccc3oc(=O)n(C)c3c2)c2ccccc2)cc1 517935293 RASWSVCKEAPDKP-FQEVSTJZSA-N 429.476 3.940 0 40 IHAB Cc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3[nH]nc4c3c(-c3ccccc3)nn4C)C2)cc1 524550746 DJVSUWBFEAHDJM-LJQANCHMSA-N 442.523 3.763 0 40 IHAB COc1ccc(CCOc2ccc([C@H]3CC(=O)Oc4cc(C)n(C)c(=O)c43)cc2OC)cc1 524729800 JQWOOKXVLUIFEZ-HXUWFJFHSA-N 449.503 3.773 0 40 IHAB biogenic O=C(N1CCC(COc2cc3c(nn2)CCCC3)CC1)C1(c2ccccc2)CCOCC1 1565523233 IIUNKMTWMBWVTG-UHFFFAOYSA-N 435.568 3.721 0 40 IHAB COc1ccc(N(CC(=O)Nc2ccccc2)S(=O)(=O)c2ccccc2)cc1OC 652523 RMLMKMCEJNBIKR-UHFFFAOYSA-N 426.494 3.538 0 40 IHAB COc1ccc2cc(CN(C(=S)NC[C@H]3CCCO3)C3CCCCC3)c(=O)[nH]c2c1 883153 GNJTUAZWMRECPA-HXUWFJFHSA-N 429.586 3.725 0 40 IHAB COC(=O)C1=C(N)N2C/C(=C/c3cccs3)SC2=C(C(=O)OC)[C@H]1c1cccs1 1579649 UGWXKNXNXALUQV-UQTJOTSZSA-N 446.575 3.725 0 40 IHAB CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(C)cc2Br)C1=O 2726224 BBUNVMZBAJAAEQ-OAQYLSRUSA-N 444.329 3.943 0 40 IHAB Cc1ccc(C)c(OCc2ccc(-c3nnc(S)n3CCCN3CCOCC3)o2)c1 2793086 DVXKKLICGUUQIU-UHFFFAOYSA-N 428.558 3.745 0 40 IHAB Cc1sc2nc(COC(=O)CNC(=O)c3ccc(-c4ccccc4)cc3)[nH]c(=O)c2c1C 3302997 JICOXVIXVDPGCG-UHFFFAOYSA-N 447.516 3.742 0 40 IHAB Cn1c(SCC(=O)Nc2sc3c(c2C(N)=O)CCC3)nnc1-c1ccc(Cl)cc1 3390233 XTBQSJWAQCYIHO-UHFFFAOYSA-N 447.973 3.515 0 40 IHAB COc1ccc(N(CC(=O)Nc2cc(F)ccc2C)S(=O)(=O)c2ccccc2)cc1 3398358 NPTNKRCQWFQKQQ-UHFFFAOYSA-N 428.485 3.977 0 40 IHAB CN(C)C(=O)CSc1nnc([C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)o1 4310194 BODLXOCESVMLAZ-INIZCTEOSA-N 445.545 3.540 0 40 IHAB CCOC(=O)Oc1ccc([C@H](CNC(C)C)OC(=O)OCC)cc1OC(=O)OCC 5830546 MKFWHCDCVRHFGH-KRWDZBQOSA-N 427.450 3.969 0 40 IHAB COc1ccccc1C(=O)Nc1cccc(C(=O)OCc2cc(=O)n3cc(C)sc3n2)c1 8607291 YQJFWNFNVFOXIT-UHFFFAOYSA-N 449.488 3.682 0 40 IHAB O=C(CSc1nnc(N2CCOCC2)n1-c1cccc(F)c1)c1ccc2c(c1)CCC2 8720500 COOROJGSAXJYDJ-UHFFFAOYSA-N 438.528 3.707 0 40 IHAB Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c2ccccc2n1 9120423 FVZVSHBSQFFYJD-UHFFFAOYSA-N 445.544 3.843 0 40 IHAB CCN1C[C@H](CN(C)C(=O)Cn2c(-c3cscn3)nc3ccccc32)Oc2ccccc21 9467060 BXKFFZPKUUSFQZ-KRWDZBQOSA-N 447.564 3.906 0 40 IHAB CCn1c(SCC(=O)c2cccc(OC)c2)nnc1[C@@H](C)NC(=O)c1ccccc1F 9582713 VYXULNFLNJSJBY-CQSZACIVSA-N 442.516 3.912 0 40 IHAB COc1ccc(C2=NN(C(=O)Cn3cc(C(F)(F)F)ccc3=O)[C@H](c3ccco3)C2)cc1 9662578 LOLAZGLYRAQOLV-SFHVURJKSA-N 445.397 3.847 0 40 IHAB Cn1c(CCC(=O)N2CCC(c3nc4ccccc4s3)CC2)nc2ccccc2c1=O 9782866 YOUBBEDPHAURFC-UHFFFAOYSA-N 432.549 3.882 0 40 IHAB Cc1ccc(C)c(Cn2c(=O)c3c(nc4oc(-c5ccc(Cl)cc5)cn43)n(C)c2=O)c1 9789753 ABASYBLRIMOBGD-UHFFFAOYSA-N 434.883 3.926 0 40 IHAB O=C(NCCCN1CCCCCC1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 10111299 LIWQTTGYWUEDKC-UHFFFAOYSA-N 442.025 3.511 0 40 IHAB COc1ccc(N(CC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1OC 10111875 LOQIBCRLEUHGRA-INIZCTEOSA-N 448.585 3.645 0 40 IHAB CCOC(=O)[C@H]1CCCCN1C(=O)CSc1nnc(Nc2ccc(CC)cc2)s1 11539578 ZFXRDRXZXJMNGG-MRXNPFEDSA-N 434.587 3.880 0 40 IHAB Cc1ccccc1C(=O)N[C@@H](C(=O)Nc1nc2cc3c(cc2s1)OCCO3)C(C)C 11751323 AYHVSOAYCHWGBG-LJQANCHMSA-N 425.510 3.769 0 40 IHAB COc1ccc2c(c1)NC1(CCN(C(=O)Cn3cnc4ccccc43)CC1)c1cccn1-2 12117292 WAOBOZCHNOGWMD-UHFFFAOYSA-N 427.508 3.779 0 40 IHAB C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@H](c2nc3ccc(F)cc3cc2C(N)=O)C1 12219695 AVEWNHAOVKSIOU-CABCVRRESA-N 439.462 3.785 0 40 IHAB COc1ccc(S(=O)(=O)N2CCn3cccc3[C@H]2c2ccc(OC)c(OC)c2)cc1C 12361671 SXSWZSIVTZCSPB-HSZRJFAPSA-N 442.537 3.616 0 40 IHAB Cc1noc(C)c1COc1cccc(C(=O)N2CCN(CCOc3ccccc3)CC2)c1 12567845 KPOBQANFDMCJIL-UHFFFAOYSA-N 435.524 3.707 0 40 IHAB CCN(CC)[C@H](CNC(=O)[C@H](C)NC(=O)c1ccc(Br)cc1)c1ccccc1 12737684 WEZVASVLRIONIU-OXJNMPFZSA-N 446.389 3.767 0 40 IHAB C[C@H](Sc1nnc([C@@H]2COc3ccccc3O2)n1C)C(=O)N1c2ccccc2C[C@@H]1C 12982595 LRCCTNVDOZQGFJ-AVYPCKFXSA-N 436.537 3.786 0 40 IHAB NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)cc1 13132087 BZOXCQRUQHHVRQ-UHFFFAOYSA-N 435.914 3.554 0 40 IHAB CC[C@@H](C)N(C(=O)CSc1nc2cc(Cl)ccc2s1)[C@@H]1CCS(=O)(=O)C1 13145356 JJOLBJYXRUYBPH-DGCLKSJQSA-N 433.020 3.856 0 40 IHAB O=C(O[C@H](O[C@H](C(=O)NCc1ccco1)c1ccncc1)c1ccncc1)c1ccco1 13564335 SONFAPRCDOYURT-REWPJTCUSA-N 433.420 3.593 0 40 IHAB Cc1cc(=O)oc2cc(OCC(=O)NCCC3CCN(Cc4ccccc4)CC3)ccc12 13623820 HRHCWLSPMGKPHE-UHFFFAOYSA-N 434.536 3.899 0 40 IHAB biogenic COCc1nn2c3c(nnc2c1-c1ccc(OC)c(OC)c1)C(=O)C[C@H](c1ccccc1)C3 13639456 NSFYYWFCPNCHQB-QGZVFWFLSA-N 444.491 3.868 0 40 IHAB CCOC(=O)c1c(NC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)sc2c1CCCC2 13681209 FGODGZXGHPMCHX-UHFFFAOYSA-N 436.555 3.736 0 40 IHAB COc1ccccc1N(Cc1ccccc1)S(=O)(=O)c1cc(C(N)=O)ccc1Cl 14121337 AGWTXAUTDAIAIJ-UHFFFAOYSA-N 430.913 3.843 0 40 IHAB CC(=O)Nc1cccc(C(=O)OCc2cc(=O)n3nc(C4CCCCC4)sc3n2)c1 15772094 OISVEJQJOKEQFM-UHFFFAOYSA-N 426.498 3.514 0 40 IHAB CCOc1ccc(CN(C(=O)/C=C/c2ccc(Cl)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 16741762 XIRFAGARJHTYOJ-ACGJQVIASA-N 433.957 3.968 0 40 IHAB CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)ccc1O 18159261 QBRWSSZSUDHTHM-ZRBLBEILSA-N 448.450 3.981 0 40 IHAB Cc1ccc2[nH]c([C@H]3CCCN(C(=O)[C@@H](C)N4CCOCC4)C3)c(-c3ccncc3)c2c1 19220143 YASMEVCIGUFZJB-CTNGQTDRSA-N 432.568 3.965 0 40 IHAB CNC(=O)[C@@]1(Cc2ccccc2-c2cccc(C)c2)CCN(C(=O)CCn2nccc2C)C1 19235473 JKDRRUXNZJWQRM-HHHXNRCGSA-N 444.579 3.764 0 40 IHAB COc1ccc(CN2CCC[C@@H](c3nn(C)cc3-c3ccnc(N4CCCC4)n3)C2)cc1 19290170 FNGKDQBIPMNSKU-HXUWFJFHSA-N 432.572 3.866 0 40 IHAB COc1cccc(OC)c1C(=O)NCCn1ncc(-c2ccc(F)cc2)c1-c1nccn1C 19291773 DSJRAIGEQZXAHH-UHFFFAOYSA-N 449.486 3.537 0 40 IHAB O=C(C1CC1)N1CCc2cc([C@H](O)CN3CCC[C@@](O)(c4ccc(F)cc4)CC3)ccc21 19332950 IWAYUNFKXVQRMW-RSXGOPAZSA-N 438.543 3.532 0 40 IHAB CC(C)c1cc(C(=O)N2CCC(O)(Cn3ccc4nc(-c5ccncc5)ccc43)CC2)on1 19452800 DVMGJRVWDSXUES-UHFFFAOYSA-N 445.523 3.877 0 40 IHAB CCNC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)c2ccc(N)nc2)C1 19529009 AZORONUCPXXXML-SANMLTNESA-N 428.536 3.542 0 40 IHAB COc1ccccc1C(=O)N1CCN(c2c(C)c(C)nc3cc(-c4ccoc4C)nn23)CC1 19555699 YVNCRIPBPYVAGS-UHFFFAOYSA-N 445.523 3.886 0 40 IHAB CN(C)C(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)c2ccccc2)CCO1 19580712 GEJSJKNKLXWOQR-MHZLTWQESA-N 428.532 3.896 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)C[C@H](NC(N)=O)c1ccc(Cl)cc1 19617838 OZUCWZPKJDOKAA-NRFANRHFSA-N 439.947 3.901 0 40 IHAB COc1cc(C)ccc1CN1CCO[C@H](c2c(C(=O)NCCO)sc3ccccc23)C1 19697889 JRWJFXJOCRJKEC-FQEVSTJZSA-N 440.565 3.514 0 40 IHAB NC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)Cc2cccc(F)c2)CC1 19700285 CEWBRFXZKJZJLP-UHFFFAOYSA-N 431.511 3.767 0 40 IHAB CC(C)Nc1n[nH]c2nc(C3CCN(C(=O)CN4CCCC4)CC3)cc(C(F)(F)F)c12 19745082 KBFBXZAZKJBJNX-UHFFFAOYSA-N 438.498 3.599 0 40 IHAB Cc1nc([C@@H]2CCCN(CC(=O)Nc3ccc(F)cc3)C2)ncc1C(=O)Nc1ccccc1 19753265 NSXXXUXPWBAZBB-GOSISDBHSA-N 447.514 3.995 0 40 IHAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OC 20035482 NMAITHWPMWAIOJ-LJQANCHMSA-N 432.542 3.584 0 40 IHAB Cc1cc(C)c(OCC(=O)Nc2ccc(N3CCOCC3)c(N)c2)c(Br)c1 20154149 UQHKLQZKPXTWMH-UHFFFAOYSA-N 434.334 3.502 0 40 IHAB Cc1ccc(S(=O)(=O)c2cnc3ccc(Cl)cc3c2N2CCC(C(N)=O)CC2)cc1 20381374 KZAGEKSZMILCDM-UHFFFAOYSA-N 443.956 3.731 0 40 IHAB Cc1ccc([C@@H](C)NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3O2)cc1 20461533 RZTBHTLFYBACHM-JPYJTQIMSA-N 436.533 3.829 0 40 IHAB CCOC(=O)C1=C(CN2CC=C(c3ccccc3)CC2)NC(=O)N[C@H]1c1ccc(F)cc1 20557894 VQQMJNDBQRTRSV-QHCPKHFHSA-N 435.499 3.786 0 40 IHAB COc1ccc(-c2nc3n(n2)[C@H](CC(=O)Nc2cc(Cl)cc(Cl)c2)C(=O)N3)cc1 20732794 FWFVPLYVSHHFRY-OAHLLOKOSA-N 432.267 3.783 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)NCc1ccc(Cl)cc1 22248487 VGQWCNYXSXVHMQ-UHFFFAOYSA-N 445.368 3.719 0 40 IHAB Cc1ccc([C@@H](c2nnnn2Cc2ccc(F)cc2)N2CCN(C3CCCC3)CC2)cc1 22929271 GHOBWHARYFVVNU-DEOSSOPVSA-N 434.563 3.819 0 40 IHAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)NCC1(N2CCOCC2)CCCCC1 23396654 RALQFIPIGWULDM-UHFFFAOYSA-N 431.558 3.667 0 40 IHAB O=C(NC(=S)NC[C@@H](c1cccs1)N1CCOCC1)c1ccc(Cl)cc1Cl 25325916 IUMSDUYEOJRBNU-HNNXBMFYSA-N 444.409 3.733 0 40 IHAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)CSCc1cc(=O)n2ccsc2n1 25605744 JRVWDZLWUZRIEW-UHFFFAOYSA-N 427.473 3.667 0 40 IHAB CCS(=O)(=O)c1ccc(O)c(NC(=O)COc2ccc(Cl)cc2Br)c1 28813221 JANWJXQZBISEAZ-UHFFFAOYSA-N 448.722 3.619 0 40 IHAB Cc1ccc(CNC(=O)CSc2nnc(-c3ccc(Br)cc3)n2C)cc1 32604852 RMLSEJMJDYMIJO-UHFFFAOYSA-N 431.359 3.962 0 40 IHAB O=C(CNc1cccc(S(=O)(=O)N2CCCCC2)c1)Nc1cc(Cl)ccc1F 32679614 YDOULWLYSKQVKR-UHFFFAOYSA-N 425.913 3.704 0 40 IHAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1csc(-c2cccs2)n1 32744541 RHVBVGOQVKPJIS-UHFFFAOYSA-N 429.523 3.744 0 40 IHAB CCc1cc2c(=O)n(CCc3ccccc3)c(SCc3nnnn3C3CC3)nc2s1 32754520 MHKBCNSXTFMZNC-UHFFFAOYSA-N 438.582 3.877 0 40 IHAB O=C(Nc1cccc(-c2n[nH]c3c2CCCC3)c1)c1ccc(=O)n(Cc2ccccc2)n1 32931926 NHKVJXXTOQMZIU-UHFFFAOYSA-N 425.492 3.813 0 40 IHAB COc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2([C@H](C)O)c2ccccc21 33926986 JSQDKYULULSUCM-GCHDEFQMSA-N 425.484 3.627 0 40 IHAB COc1ccc(C(=O)NC2CCN(CC(=O)Nc3cccc(Cl)c3Cl)CC2)cc1 35291855 YHWHCXXQBHEAMX-UHFFFAOYSA-N 436.339 3.835 0 40 IHAB CCOc1ccc(NC(=O)CSc2ncnc3nc(N4CCSCC4)sc23)cc1 35532870 FFSJTVAKWMWHFV-UHFFFAOYSA-N 447.611 3.769 0 40 IHAB CC[C@@H](C)[C@@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)N1CCSCC1 36593949 SXLUDOXHUCJRIV-DNVCBOLYSA-N 442.610 3.807 0 40 IHAB Cc1ccc(NC(=O)Cn2nc3c4cc(-c5ccc(C)c(C)c5)nn4ccn3c2=O)c(C)c1 38487215 AHUWXCAUWSDTCJ-UHFFFAOYSA-N 440.507 3.683 0 40 IHAB COc1cccc(N(CC(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)S(C)(=O)=O)c1 38754473 UWUZVCCFLCGMLT-DEOSSOPVSA-N 438.549 3.675 0 40 IHAB CC(C)n1ncc2cc(NC(=O)N3CCC(C(=O)NCc4ccc(F)cc4)CC3)cnc21 40151134 YBKHVFTZTWOQGS-UHFFFAOYSA-N 438.507 3.712 0 40 IHAB Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)NCCN1C[C@H](C)O[C@@H](C)C1 48343361 CELOFCBVDFOGCF-KBPBESRZSA-N 439.387 3.564 0 40 IHAB Cc1ccc2c(c1)N(C(=O)CSc1nc3ccsc3c(=O)n1CC(C)C)CCO2 57426261 IBICMULTKUFYLU-UHFFFAOYSA-N 429.567 3.940 0 40 IHAB Cc1ccc(Cn2c(SCC(=O)NC[C@@H]3CCCO3)nc3ccsc3c2=O)cc1C 57426332 TXLZLJWQUMSVBK-KRWDZBQOSA-N 443.594 3.510 0 40 IHAB O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21)Nc1ccccc1C(F)(F)F 57428722 CGGSNDKKRWEKKG-UHFFFAOYSA-N 445.422 3.871 0 40 IHAB Cc1nc(-c2ccc(Cl)cc2)n(CC(=O)Nc2cccc(Cl)c2)c(=O)c1CCO 67300542 XBZBHCNVBZVCGE-UHFFFAOYSA-N 432.307 3.699 0 40 IHAB C[C@H]1CN(CC2CCN(CCS(=O)(=O)c3cc(Cl)ccc3Cl)CC2)C[C@H](C)O1 69923634 PYQZBVFXPRPHTA-HOTGVXAUSA-N 449.444 3.588 0 40 IHAB Cn1ccnc1C[C@H](NC(=O)c1cccc(I)c1)c1ccccc1 72303153 XZZXSSVMRQYENX-KRWDZBQOSA-N 431.277 3.739 0 40 IHAB Cn1ncc(Cl)c1C(=O)N1CCC2(CC1)C[C@]1(CO2)Nc2ccccc2-n2cccc21 72327284 HORCJUNQNUWADO-HSZRJFAPSA-N 437.931 3.580 0 40 IHAB Cc1nc(CN(C)Cc2cncn2Cc2ccccc2)nc2c1CCC(=O)N2CCC(C)C 72370979 RTSWSESOQXZFSO-UHFFFAOYSA-N 446.599 3.987 0 40 IHAB Cc1nc([C@@H]2CCCN2C(=O)COc2ccccc2)nc2c1CCCN2Cc1ccccn1 72373834 YFKOPILHZMUXMO-QHCPKHFHSA-N 443.551 3.875 0 40 IHAB CCOC(=O)c1[nH]c(C)c(CN2CCC(c3cc(O)nc(-c4ccccn4)n3)CC2)c1C 72392853 BSIWRMSQFYRLKT-UHFFFAOYSA-N 435.528 3.745 0 40 IHAB O=C(NC1(c2nc(-c3cccnc3)no2)CCCCC1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 77197456 PYVUJCDKONLVFV-QGZVFWFLSA-N 449.486 3.599 0 40 IHAB CCOC(=O)N1CCC[C@H](C(=O)Nc2cc(-c3ccc(Br)cc3)ncn2)C1 79055808 ZGHKITDIFVGDOQ-AWEZNQCLSA-N 433.306 3.713 0 40 IHAB CC1(C)OC[C@H](CNc2nc(CN3CCOCC3)nc3scc(-c4cccs4)c23)O1 95427470 WOXUVWDILIRAMJ-AWEZNQCLSA-N 446.598 3.815 0 40 IHAB CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1CC(=O)Nc1ccc(OC)c(OC)c1 95432476 RNMXDBLEJUHJQU-PGRDOPGGSA-N 440.588 3.578 0 40 IHAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CCC(=O)Nc2ncccc2O)cc1 95946565 ODVUCQVJSBNLKX-OAQYLSRUSA-N 444.491 3.892 0 40 IHAB C[C@H](NC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1)c1nc2ccccc2[nH]1 96118476 WQXTZFPFSJEBSX-ZDUSSCGKSA-N 432.933 3.637 0 40 IHAB CS[C@@H]1CN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)C[C@@H]1N1CCCC1 97163899 OUBHMPWIIJGZJR-UONOGXRCSA-N 428.929 3.559 0 40 IHAB CCCCN(CC)S(=O)(=O)c1ccc(C(=O)/N=c2/sc3ccccc3n2C)cc1 100860558 HCEYSYXIBIOZOW-QURGRASLSA-N 431.583 3.792 0 40 IHAB O=C(NC(=S)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl)c1ccco1 106118693 POTDMWXEHYBEOK-UHFFFAOYSA-N 425.853 3.860 0 40 IHAB CC[C@H](C(=O)NCCSCc1ccccc1F)N(c1ccc(C)cc1)S(C)(=O)=O 219098163 KDFMFIGHACTZNP-HXUWFJFHSA-N 438.590 3.728 0 40 IHAB CN(CC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)S(=O)(=O)c1ccc2ccccc2c1 219704280 BRJQEAZPSCNUPA-OAQYLSRUSA-N 438.549 3.879 0 40 IHAB Cc1ccc(CCCNC(=O)[C@@H](C)N(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 220201123 KBKCUYBUXGFYMG-MRXNPFEDSA-N 442.503 3.917 0 40 IHAB CCOc1ccc(N([C@@H](CC)C(=O)NCCSc2ccccc2)S(C)(=O)=O)cc1 220666984 PACHSBAVXUWBHA-FQEVSTJZSA-N 436.599 3.538 0 40 IHAB CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc(Br)c(C)c1 222429173 OLXXGUVHGZXSEB-MRXNPFEDSA-N 433.346 3.608 0 40 IHAB O=C(Nc1nnc(S(=O)(=O)N[C@H]2CCCc3ccccc32)s1)c1ccccc1Cl 222580210 LPKCDAYLEPITAQ-INIZCTEOSA-N 448.957 3.800 0 40 IHAB COc1ccc(CCNC(=O)CCCN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1 222664471 OULIFRIOSMJIQG-UHFFFAOYSA-N 438.977 3.562 0 40 IHAB Cc1cc(C)cc(N([C@@H](C)C(=O)NCCOc2cccc3ccccc23)S(C)(=O)=O)c1 223526940 WVMCNVIHXMWXAV-IBGZPJMESA-N 440.565 3.806 0 40 IHAB COc1ccc(OC)c(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)c1 224082099 PQMHCUQTAFFXMM-UHFFFAOYSA-N 440.521 3.743 0 40 IHAB O=C(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc2c(c1)CCCC2 224426449 ZBMXGXXZKOLNAE-UHFFFAOYSA-N 442.581 3.549 0 40 IHAB COc1ccc(C(=O)N2CCC(C)CC2)cc1CN(C)S(=O)(=O)c1ccc(C)cc1 224782924 GADMBGSREMBTDN-UHFFFAOYSA-N 430.570 3.696 0 40 IHAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCCc2ccccc2OC)cc1 224911615 ILFLRVJWNYZFNC-XLNRJJMWSA-N 434.492 3.817 0 40 IHAB CSc1ccc(S(=O)(=O)Nc2ccc(C)c(N3CCCC3=O)c2)cc1NC(C)=O 224919172 CJLWIGSSTBKWHW-UHFFFAOYSA-N 433.555 3.603 0 40 IHAB COc1cc(CN2CCN(C(=S)Nc3ccccc3Cl)CC2)cc(OC)c1OC 225223114 HXCIPNAMGIGCJK-UHFFFAOYSA-N 435.977 3.880 0 40 IHAB O=C(NCc1ccco1)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2C3)sc2c1CCCC2 225774188 SISLPRPSHIFJOM-GGNLRSJOSA-N 440.521 3.611 0 40 IHAB C[C@H]1CCCN(c2cc(N3CCCC3)nc(NC(=S)NCc3ccc(F)cc3)n2)C1 225947120 VSONGRVDJGJHNJ-INIZCTEOSA-N 428.581 3.939 0 40 IHAB CCCC[C@]1(C(=O)OC)N[C@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 245230556 ULJQRIQFIWZTKL-IFOBJOEFSA-N 434.536 3.856 0 40 IHAB Cc1ccc2[nH]nc(C(=O)N3CCO[C@H](c4cc(Nc5ccccn5)cc(C)n4)C3)c2c1 257229719 FZFSEWWTIOSPLW-NRFANRHFSA-N 428.496 3.927 0 40 IHAB COc1ccc(CCNC(=O)[C@@H]2CN(C)C[C@H]2c2cccc(CN3CCCCC3)c2)cc1 257272554 NCVVLVPLSQZEEH-IZZNHLLZSA-N 435.612 3.685 0 40 IHAB CC(C)(NC(=O)COc1ccccc1)C(=O)N1CCC[C@@H](Cc2ccc3cc[nH]c3n2)CC1 257280478 OLBBBZVCIGFQKL-LJQANCHMSA-N 448.567 3.708 0 40 IHAB COc1cccc([C@@H]2CN(C(=O)CN3CCC[C@@H]4CCCC[C@H]43)C[C@H]2c2csnn2)c1 257292635 QMJIMUCGQNPFAB-MDFGKDKASA-N 440.613 3.911 0 40 IHAB CO[C@H]1CC[C@H](C(=O)NC2CCN(c3ncc(-c4cc(C)no4)c(C4CC4)n3)CC2)CC1 257331101 XRIXZGWVUMCWOP-UAPYVXQJSA-N 439.560 3.608 0 40 IHAB O=C(O)c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c1 260913972 FXLAJSFQBKJBFK-STZQEDGTSA-N 448.548 3.722 0 40 IHAB COc1ccc(C)cc1N(CC(=O)NC(c1ccccc1)c1ccccc1)S(C)(=O)=O 408609504 OVQIDLUNLQVMSD-UHFFFAOYSA-N 438.549 3.675 0 40 IHAB CCc1cccc2c(/C=C3\SC(=O)N(CC)C3=O)cn(CC(=O)NC[C@@H]3CCCO3)c12 409125825 ADMDSDBWPBBKGD-BEWREHSGSA-N 441.553 3.555 0 40 IHAB CCCN1C(=O)S/C(=C/c2cc(I)c(O)c(OCC)c2)C1=O 409231639 DQCQCUNFAJABFB-XYOKQWHBSA-N 433.267 3.842 0 40 IHAB Cc1ccc(NC(=O)CSc2nnc([C@H](C)NC(=O)c3ccccc3C)n2C)cc1C 409329269 DAMKITSKOUPESC-KRWDZBQOSA-N 437.569 3.962 0 40 IHAB CC(C)OC[C@@H]1CN(C(=O)c2ccsc2NC(=O)c2ccc3c(c2)CCC3)CCO1 548110893 BAISZVXNBKPKDT-IBGZPJMESA-N 428.554 3.755 0 40 IHAB CCn1c(CCNC(=O)c2cccc(C)c2)nnc1SCC(=O)Nc1ccc(C)cc1 634012 KHMLCLKMRNAKIR-UHFFFAOYSA-N 437.569 3.618 0 40 IHAB COC(OC)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 841990 GMCHMIAPWREGBP-YKUCYRFJSA-N 425.484 3.856 0 40 IHAB COc1ccc2c(C)c(CC(=O)N3CCC(C(=O)O)(c4ccccc4)CC3)c(=O)oc2c1C 2156287 WPRLOPKDAKZFJM-UHFFFAOYSA-N 449.503 3.606 0 40 IHAB biogenic CC(C)C[C@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2ccc(F)cc2)o1 2234609 VHQFEOKLKPIXQD-HNNXBMFYSA-N 427.498 3.795 0 40 IHAB COc1ccc(-n2c(N)c(C(=O)OC[C@@H]3CCCO3)c3nc4ccccc4nc32)cc1OC 2418476 KGOLAQRDFCVESM-HNNXBMFYSA-N 448.479 3.509 0 40 IHAB Cc1c(NC(=O)[C@H](C)OC(=O)c2cc(Cl)cc(Cl)c2)c(=O)n(-c2ccccc2)n1C 3237609 LZHAGHXZEZYOKW-ZDUSSCGKSA-N 448.306 3.975 0 40 IHAB O=C(COC(=O)CNC(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)cc1C(F)(F)F 3281847 OUAGYBRPWPNELJ-UHFFFAOYSA-N 449.212 3.924 0 40 IHAB aggregator CCOC(=O)c1c(NC(=O)CN[C@H]2CCCc3ccccc32)sc2c1CCN(CC)C2 3328000 VGGQRXMSVHYCNO-IBGZPJMESA-N 441.597 3.909 0 40 IHAB COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc4c(c3)OCO4)c2)cc1 3462186 FOJRJDWDVZFULN-UHFFFAOYSA-N 440.477 3.501 0 40 IHAB O=C1Nc2ccc(S(=O)(=O)N3CCN(c4ccccc4Cl)CC3)c3cccc1c23 8439362 FEGJADGZXVQMJF-UHFFFAOYSA-N 427.913 3.570 0 40 IHAB CCOC(=O)COc1ccccc1/C=C1\SC(=O)N(CCOc2ccc(F)cc2)C1=O 8451628 LLMAUEICPUWDAQ-UYRXBGFRSA-N 445.468 3.883 0 40 IHAB COc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccn2)cc(OC)c1OC 8590363 KWEUXHLMIDDVKR-NRFANRHFSA-N 444.443 3.964 0 40 IHAB Cc1csc2nc(COc3ccc(NC(=O)COc4ccc(F)cc4)cc3)cc(=O)n12 8654522 AQAXHKSIPWZVAS-UHFFFAOYSA-N 439.468 3.800 0 40 IHAB O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(C(F)(F)F)cc1 8723890 TWCWEXWYXRTATJ-UHFFFAOYSA-N 426.460 3.810 0 40 IHAB C[C@@H](CNC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1)c1ccccc1 8725695 WJSOQHCWCGYSBH-INIZCTEOSA-N 438.505 3.750 0 40 IHAB Cc1cccc(N2CCN(C(=O)[C@H](NC(=O)c3c(F)cccc3F)C(C)C)CC2)c1C 8826330 LJFPSEZISBFCNN-JOCHJYFZSA-N 429.511 3.685 0 40 IHAB CCCN(CC(=O)Nc1ccccc1C)C(=O)COC(=O)c1ccc2ncsc2c1 8939466 RGSLRNZQISYISD-UHFFFAOYSA-N 425.510 3.639 0 40 IHAB Cc1sc2nc(S[C@@H](C)C(=O)NC[C@@H]3CCCO3)n(C3CCCC3)c(=O)c2c1C 9119614 DOAKAYHUKYMERC-HOCLYGCPSA-N 435.615 3.966 0 40 IHAB CC(C)Cn1nc(C(=O)Nc2ccc(I)cc2)c2ccccc2c1=O 9254598 NJICPXROCLBSKC-UHFFFAOYSA-N 447.276 3.909 0 40 IHAB COc1ccc(C(=O)CSc2nnc(CCC(=O)Nc3ccc(F)cc3)n2C)cc1 9327595 DCNQKODZYWGCRI-UHFFFAOYSA-N 428.489 3.509 0 40 IHAB COc1ccc(NC(=O)C[C@]2(NC(C)=O)C(=O)N(Cc3ccccc3)c3ccccc32)cc1 9341988 JKAZFLLKMHUWIP-AREMUKBSSA-N 443.503 3.602 0 40 IHAB Cc1ccc(NC(=O)CSc2nnc(NC(=O)c3ccc4c(c3)OCO4)s2)cc1 9391073 QCEGCERIEDYCBS-UHFFFAOYSA-N 428.495 3.558 0 40 IHAB O=C(Nc1cnc2ccccc2c1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 9422852 PQINYULGERQWGK-UHFFFAOYSA-N 429.929 3.928 0 40 IHAB Cc1ccsc1/C=C/C(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 9478087 JPOOESTWTSDFCG-BQYQJAHWSA-N 440.956 3.618 0 40 IHAB CCOC(=O)c1ccc(-n2c(N)c(C(=O)NCC(C)C)c3nc4ccccc4nc32)cc1 9542539 MNBVJQGUISMXFI-UHFFFAOYSA-N 431.496 3.718 0 40 IHAB O=C(NC(c1ccccc1)c1ccccc1)N[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 9568783 UAEXXXCHBUGUPL-HXUWFJFHSA-N 443.503 3.652 0 40 IHAB COc1cccc(N2C(=O)[C@@](NC(=O)c3ccc(C(C)(C)C)cc3)(C(F)(F)F)N=C2O)c1 9577009 QBIQDLVNOMMTMH-NRFANRHFSA-N 449.429 3.942 0 40 IHAB CC(C)[C@@H](NC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1)c1ccc(F)cc1 9872499 HGRYCVACNQNJQL-LJQANCHMSA-N 439.578 3.737 0 40 IHAB COC(=O)c1cccc(NC2=C(C(=O)Nc3ccccc3)S(=O)(=O)c3ccccc32)c1 10011519 UJTNVUBCNHAHDO-UHFFFAOYSA-N 434.473 3.680 0 40 IHAB CCOc1ccc2ccccc2c1C(=O)Nn1cnc2c(cnn2-c2ccccc2)c1=O 10251220 XYDBOGUWLSTENZ-UHFFFAOYSA-N 425.448 3.518 0 40 IHAB CCOc1ccc(-c2noc(-c3nnn(-c4ccc(Br)cc4)c3N)n2)cc1 10273122 JUFGHSUGCOLCIL-UHFFFAOYSA-N 427.262 3.728 0 40 IHAB COc1ccc(N([C@H](C)C(=O)Nc2cccc(SC)c2)S(C)(=O)=O)cc1Cl 10334007 QIXHYACVPODKTR-GFCCVEGCSA-N 428.963 3.864 0 40 IHAB Cn1c(=O)c2ccccc2n2c(CNc3cc(C(F)(F)F)ccc3N3CCCC3)nnc12 10849196 ZJLMDDNKXWIBDY-UHFFFAOYSA-N 442.445 3.812 0 40 IHAB CC1CCN(c2nnc(SCC(=O)N(C)Cc3ccccc3)n2Cc2ccco2)CC1 11779937 BUCVVTQKSFRUIP-UHFFFAOYSA-N 439.585 3.906 0 40 IHAB COc1ccc2[nH]cc(CCNC(=O)CCc3cc4c(C)cc(=O)oc4cc3OC)c2c1 12296409 ZXNPUUPTGKPRGQ-UHFFFAOYSA-N 434.492 3.891 0 40 IHAB biogenic C[C@@H](NC(=O)c1ccc(NC(=O)CSc2nccn2C)cc1)c1ccc(F)cc1F 12507213 PXLJAKYEQWWVBA-CYBMUJFWSA-N 430.480 3.920 0 40 IHAB Cn1cnnc1Sc1ccccc1NS(=O)(=O)c1cccc(Br)c1 12631519 IPDTVFKYKUTLRF-UHFFFAOYSA-N 425.333 3.530 0 40 IHAB O=C(Cn1nc(O)c2ccccc2c1=O)NC[C@@H](c1cccs1)c1c[nH]c2ccccc12 12769416 YUJFPJSFALOGEV-LJQANCHMSA-N 444.516 3.593 0 40 IHAB COc1ccc(NC(=O)c2ccc(NC(=O)CNC(=O)c3ccc(Cl)cc3)cc2)cc1 12795917 OKEKHXRUFNLXTP-UHFFFAOYSA-N 437.883 3.969 0 40 IHAB CCOc1cc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)ccc1OCC(=O)N(C)C 12863487 OPFQVDSMGMNEDI-YVLHZVERSA-N 428.872 3.550 0 40 IHAB O=C(NCc1ccccc1)[C@@H](c1ccncc1)N(C(=O)c1csnn1)c1ccccc1F 12869918 DLTDFNXRIVUNJY-OAQYLSRUSA-N 447.495 3.777 0 40 IHAB COCCn1c(SCC(=O)c2ccc(Br)s2)nc2ccccc2c1=O 12877209 CSHRJXFAHKKUAP-UHFFFAOYSA-N 439.356 3.842 0 40 IHAB COc1cc(-c2nnc(S[C@@H](C)C(=O)N(C)c3ccccc3)o2)cc(OC)c1OC 13112232 HPWSCLAYQOCCNJ-ZDUSSCGKSA-N 429.498 3.906 0 40 IHAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(Cl)c2)C1 13580653 LVJSSFKPMMPPFP-CYBMUJFWSA-N 426.897 3.527 0 40 IHAB C[C@H](Oc1ccc(F)cc1)C(=O)NCCCn1nc(-c2ccc(Cl)cc2)ccc1=O 13801631 FUQOQZAOQZOXOY-HNNXBMFYSA-N 429.879 3.677 0 40 IHAB C[C@@H]1CCC[C@@H](NC(=O)COC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)[C@@H]1C 14360314 GYTPPXNQJJLVLY-XJKCOSOUSA-N 437.949 3.966 0 40 IHAB CCN(C(=O)CN1CCN(c2cc(C)nc(C(C)C)n2)CC1)c1nc2ccccc2s1 15032994 RCXZXHBIFQCABW-UHFFFAOYSA-N 438.601 3.693 0 40 IHAB Cc1c(C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)oc2ccc(F)cc12 15854000 RRFBJJNARRVMAA-ZIAGYGMSSA-N 446.500 3.931 0 40 IHAB NC(=O)c1ccc(-c2ncc(-c3nnnn3-c3ccccc3)c(-c3ccc(F)cc3)n2)cc1 16523913 ILTMYKAQVONXKZ-UHFFFAOYSA-N 437.438 3.691 0 40 IHAB COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccc(C(=O)O)c(Cl)c2)c(F)c1F 17100780 LWAANDXJJSTXTR-UHFFFAOYSA-N 436.770 3.730 0 40 IHAB CC(=O)NC(=S)Nc1ccc2oc(-c3ccc(I)cc3)nc2c1 17101064 WJDQCDVRQUJITG-UHFFFAOYSA-N 437.262 3.932 0 40 IHAB O=C(Cn1c2ccccc2c2ncn(Cc3ccccc3)c(=O)c21)NCCc1ccccc1 17178936 JZDLGFTWPHUKCY-UHFFFAOYSA-N 436.515 3.758 0 40 IHAB COc1ccccc1CC(=O)N1CCC(c2nc(NC3CC3)ncc2-c2cc(C)no2)CC1 19122892 UPKOILVCXYXQRF-UHFFFAOYSA-N 447.539 3.972 0 40 IHAB Cc1cc(-c2cnc(N(C)C)nc2-c2ccc(CNC(=O)CC[C@@H]3CCCO3)cc2)on1 19123846 ZJPMJCQQUFYUFM-IBGZPJMESA-N 435.528 3.748 0 40 IHAB CCc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](c2ccc(Br)cc2)N2CCCN32)cc1 19171579 UMVPNPOVKATLAH-AQNXPRMDSA-N 440.341 3.547 0 40 IHAB O=C(CCc1ccncc1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CN(C1CCCCC1)CC2 19405077 KUXLSCHPLNSMBM-QHCPKHFHSA-N 449.599 3.542 0 40 IHAB CCNC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CCCN(C(=O)c2cccnc2)C1 19528676 OCWMIPSBFHCXKE-AREMUKBSSA-N 428.536 3.745 0 40 IHAB COc1cccc(C(=O)NCCNc2nc(-c3ccncc3)cc3ncccc23)c1OC 19567417 MQUAILJWPNMNNJ-UHFFFAOYSA-N 429.480 3.551 0 40 IHAB COc1ccc(CC(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3F)c2)c(OC)c1 19603361 XAXXKGGYJIMHIR-UHFFFAOYSA-N 444.484 3.825 0 40 IHAB Cc1nc(CC(=O)N2CC[C@H](c3ccc4c(NCCc5ccccc5)n[nH]c4n3)C2)cs1 19705137 UHEYUJJMUAYIDW-SFHVURJKSA-N 446.580 3.936 0 40 IHAB Cc1nc([C@@H]2CCCCN2C(=O)COC(C)C)nc2c1CCC(=O)N2Cc1ccccc1 19741114 ZFAXWDPLKRIZQN-NRFANRHFSA-N 436.556 3.743 0 40 IHAB Cc1nc([C@@H]2CCCCN2C(=O)c2cccnc2N)ncc1C(=O)Nc1ccccc1F 19764719 OQMZNLVZVZUXSZ-IBGZPJMESA-N 434.475 3.521 0 40 IHAB O=C(NCCCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1 19934467 VBPKWUUDMYSBEZ-UHFFFAOYSA-N 426.991 3.551 0 40 IHAB COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)Nc1ccccc1C(C)C)=C2C 20063974 QNELIQJVLIOPKB-UHFFFAOYSA-N 430.526 3.977 0 40 IHAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(Cl)cc2)N1CCCN1CCOCC1 20357937 LIGOUVUXEFMEHS-NRFANRHFSA-N 438.911 3.714 0 40 IHAB CC1(C)CC(=O)CC(C)(C)N1OC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 22079858 ZRSPWXXFQAZAKY-OAQYLSRUSA-N 448.519 3.574 0 40 IHAB O=C(NC1CCCCC1)c1nnsc1NC(=O)N1CCN(c2cccc(Cl)c2)CC1 25183830 FQSHIKXYRKFKPQ-UHFFFAOYSA-N 448.980 3.608 0 40 IHAB O=C(COc1ccc(Br)cc1F)NCc1ccc(C(=O)N2CCCC2)cc1 25326761 LLKLDTCCIVSTLL-UHFFFAOYSA-N 435.293 3.519 0 40 IHAB CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1C(=O)N1CCCCCC1 26120891 AVAVAHUSGATHHR-UHFFFAOYSA-N 448.566 3.924 0 40 IHAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NCCNC(=O)c1ccc(C(F)(F)F)cc1 27241118 BNSWAVAVIKTFFV-HXUWFJFHSA-N 445.441 3.516 0 40 IHAB O=C(Nc1ccccc1)[C@H]1CCCN1C(=O)Cn1c(SC(F)F)nc2ccccc21 28022908 NQVHIWOKJIQJJT-QGZVFWFLSA-N 430.480 3.981 0 40 IHAB COC(=O)C[C@@H](NC(=O)NCc1ccc(N2CCCC2=O)cc1)c1ccccc1Cl 29334428 XCWJPCQGHXBKKM-LJQANCHMSA-N 429.904 3.570 0 40 IHAB COc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)NCCN2CCOCC2)cc1 29568626 YFTQXSWMYRREBY-CZIZESTLSA-N 443.547 3.792 0 40 IHAB CCCS(=O)(=O)Nc1cccc(C(=O)Nc2nc3cc(OC)c(OC)cc3s2)c1 29604056 BPPCHJUSELHNCK-UHFFFAOYSA-N 435.527 3.718 0 40 IHAB O=C(NCCSc1ccc(Cl)cc1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 31594005 ZEACYMUULYVGJF-INIZCTEOSA-N 439.002 3.649 0 40 IHAB CSc1nc(C)c(CC(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)s1 32891594 ZBSTZKKTLBIAJU-UHFFFAOYSA-N 442.404 3.884 0 40 IHAB Cc1cccc(OCCSCC(=O)Nc2cc(S(=O)(=O)N(C)C)cc(C)c2C)c1 32909398 XKPYZXXUFUZJRM-UHFFFAOYSA-N 436.599 3.613 0 40 IHAB CN1CCN(C(=O)c2nn3c(c2Cl)N[C@@H](c2ccccc2)C[C@@H]3C(F)(F)F)CC1 38180762 HWTPIFMCSOYGEI-ZIAGYGMSSA-N 427.858 3.584 0 40 IHAB O=C(CCC(=O)c1ccc(Br)cc1)NC1CCN(C(=O)c2ccccc2)CC1 40013530 DMOQYONVLBXPLY-UHFFFAOYSA-N 443.341 3.833 0 40 IHAB Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1 45351162 DLOOVGRWCRWPOF-UHFFFAOYSA-N 436.493 3.526 0 40 IHAB O=C(Nc1cccc(-n2cnnn2)c1)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F 48356514 AEUQCICIJQRJGR-UHFFFAOYSA-N 433.781 3.773 0 40 IHAB O=C1C[C@H](c2ccccc2)N(Cn2nc(-c3cccs3)n(C3CC3)c2=S)CCN1 48365780 PWVMSWWTOSQAPO-QGZVFWFLSA-N 425.583 3.998 0 40 IHAB C[C@H]1CNC(=O)N1c1cccc(NC(=O)[C@@H](C)Oc2ccc(F)cc2Br)c1 58357196 CJPRDKCNJWHISJ-NWDGAFQWSA-N 436.281 3.912 0 40 IHAB CCc1cccc(C)c1NC(=O)CN(c1ccccc1Br)S(C)(=O)=O 63459472 AZGDURCVYIHIAB-UHFFFAOYSA-N 425.348 3.725 0 40 IHAB Cc1ccc2c(c1)nc(CCNC(=O)Nc1ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c1)n2C 72289116 AMVWQNXTMUOTJJ-IRXDYDNUSA-N 439.535 3.999 0 40 IHAB COc1ccc(S(=O)(=O)Nc2cc(F)c(OC(C)(C)C)cc2C(=O)O)cc1OC 72301089 USSHXFSIJQWXIC-UHFFFAOYSA-N 427.450 3.519 0 40 IHAB Cc1cc(Cc2ccccc2C)cc([C@@H]2CCCN(C(=O)COCCN3CCCC3=O)C2)n1 72354192 UZGHAKJSJSYTJN-XMMPIXPASA-N 449.595 3.634 0 40 IHAB O=S1(=O)CC[C@H](Nc2ncnc3c2cnn3-c2ccccc2)c2cc(Cl)ccc21 79109255 SDASRWFORFLNDJ-KRWDZBQOSA-N 425.901 3.800 0 40 IHAB O=S(=O)(NCc1ccnc(N2CCCCCC2)c1)c1ccc(F)cc1Br 95952899 KEQQIAPAVZRSFW-UHFFFAOYSA-N 442.354 3.842 0 40 IHAB COc1ccc(NC(=O)c2ccccc2N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c(OC)c1 100843475 DBNVSRVFBCRPDT-CDODFIKFSA-N 444.487 3.514 0 40 IHAB COc1cc([C@H]2[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]3ON2c2ccccc2)ccc1O 101025965 UELMKLYKBHWQJF-VJBWXMMDSA-N 430.460 3.760 0 40 IHAB C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1)[C@@H]1C[C@H]2CC[C@H]1C2 102364302 IMQYQOPEHMAFJJ-AHUWJOPLSA-N 438.593 3.988 0 40 IHAB COC(=O)c1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccccc2C)cc1 102914501 UITDEGKNHFENLB-YTFSRNRJSA-N 442.471 3.833 0 40 IHAB C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)[C@@H]1C[C@H]2CC[C@H]1C2 105763922 CLPRTTHDEGVWEL-OVFSYLBISA-N 444.641 3.907 0 40 IHAB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(Cl)c(OC)c(OC)c3)C2=O)o1 107534915 MTVBTBNPVBOKCW-OVCLIPMQSA-N 437.857 3.973 0 40 IHAB CC[C@@H](C(=O)Nc1ccccc1OC)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 220746080 WTYHNEJOYQYJCW-INIZCTEOSA-N 426.922 3.541 0 40 IHAB COc1ccccc1CCCNC(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 222572778 LKCPXDVZTGJXCU-UHFFFAOYSA-N 432.586 3.607 0 40 IHAB COc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)cc(C)cc3C)C2)cc1 223042750 NDNQHKGFZAUADP-TZIWHRDSSA-N 444.597 3.899 0 40 IHAB CCc1ccc(CC)c(CNS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCC3)c2)c1 223473665 CFRMOGCGUDFSHL-UHFFFAOYSA-N 444.597 3.925 0 40 IHAB Cc1ccccc1[C@H](C)NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1 223749623 OZYWRUWXRHWZSI-LBPRGKRZSA-N 436.946 3.792 0 40 IHAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N[C@@H]3C[C@@H]4CC[C@@H]3C4)cc2C)cc1 224223644 DDYOIPDMHDKTAO-CBGDNZLLSA-N 428.554 3.747 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)c2cc(C(=O)N3CC(=O)Nc4ccccc43)ccc2C)cc1 224311884 QFJSJEZUJNVOJS-UHFFFAOYSA-N 449.532 3.727 0 40 IHAB CCOC(=O)c1ccc(NC(=S)NCc2ccccc2CN2CCCC2=O)c(C)c1 225652609 KPGLICPFVIJVGV-UHFFFAOYSA-N 425.554 3.781 0 40 IHAB Cc1cccc2cc([C@H](c3nnnn3CCc3ccccc3)N3CCC[C@@H](C)C3)c(=O)[nH]c12 227120774 IYAMYDGJJLKJQR-HOYKHHGWSA-N 442.567 3.887 0 40 IHAB CCOc1ccc(CCC(=O)N2CCO[C@@H](c3ccc(Nc4cnccn4)cn3)C2)cc1 257209734 BRRNAOAXCXCOEU-JOCHJYFZSA-N 433.512 3.547 0 40 IHAB CC(C)(CC(=O)O)CC(=O)N1CCC[C@@H]2O[C@@H]3c4ccc(O)cc4OC(C)(C)[C@H]3C[C@@H]21 257328777 XHBOEXRQYZKUJV-VDNWNZSNSA-N 431.529 3.891 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H]2CC3(CCCCC3)Oc3ccccc32)cc1 260770595 SXRROQFURLPUPO-NRFANRHFSA-N 442.581 3.958 0 40 IHAB COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)c1 408586654 BGORMFLJXQVVFM-KRWDZBQOSA-N 440.521 3.752 0 40 IHAB CCn1c(Cc2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1ccccc1OC 408638601 SQTRLMNJCLZNLL-UHFFFAOYSA-N 442.541 3.645 0 40 IHAB CC(C)OC(=O)CN1C(=O)S/C(=C/c2cc(Cl)c(O)c(Br)c2)C1=O 409101955 CBYCMJFKSXDNFN-VZUCSPMQSA-N 434.695 3.796 0 40 IHAB CC(C)(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 409195103 PEQABLGVIBNZOQ-UHFFFAOYSA-N 430.448 3.800 0 40 IHAB O=C(NCCC(=O)N1CC[C@@](O)(Cc2cccc(Cl)c2)C1)c1ccc2ccccc2c1 501705505 TXWOFKLRGRJMGB-RUZDIDTESA-N 436.939 3.819 0 40 IHAB COCCn1cc2c(n1)[C@H](NC(=O)c1cnn(-c3ccc(C(F)(F)F)cc3)c1)CCC2 514621110 IIYVVZWFVJQJNR-GOSISDBHSA-N 433.434 3.541 0 40 IHAB CCC[C@@]1(CCN2C(=O)[C@@H](C(N)=O)[C@H]3C[C@@]2(C)Oc2ccccc23)CCOC(C)(C)C1 524731084 JSBRXIVDTSTYFJ-GWSAJCRFSA-N 428.573 3.978 0 40 IHAB biogenic Cc1ccc(S(=O)(=O)N2CCC3(CC2)OCC[C@@H]3CCOCc2cccc(C)n2)cc1 575402544 CHVCOUPLNBTTPB-NRFANRHFSA-N 444.597 3.865 0 40 IHAB CC(C)(C)OC(=O)NCc1ccc(CNC(=O)N[C@@H]2COc3c(F)cc(F)cc3C2)cc1 1682209119 HFMOMPYMIZABFT-SFHVURJKSA-N 447.482 3.792 0 40 IHAB Cc1nc(CN2CC3(CCN(C(=O)c4cnc(Cl)cc4Cl)CC3)CC2=O)cs1 2055796232 WMVIVPWDLNHLGA-UHFFFAOYSA-N 439.368 3.808 0 40 IHAB CC1=C(C(=O)OCCC(C)C)[C@H](c2ccccc2I)NC(=O)N1C 728609 VRYHSLZLJIINGD-INIZCTEOSA-N 442.297 3.851 0 40 IHAB O=C(NCc1ccco1)c1cnn2c1N[C@@H](c1ccc3c(c1)OCO3)C[C@H]2C(F)(F)F 866767 KIYSQZRIOAZPBL-PBHICJAKSA-N 434.374 3.795 0 40 IHAB Cc1ccc2cc(CN(C[C@H]3CCCO3)S(=O)(=O)c3ccccc3F)c(=O)[nH]c2c1C 914401 VWLKGPMYVUSUSU-LJQANCHMSA-N 444.528 3.654 0 40 IHAB O=C(/C=C/c1cc2c(cc1Br)OCO2)N1CCN(c2ccccc2F)CC1 1398990 UGLLXEGFNFDIOF-AATRIKPKSA-N 433.277 3.679 0 40 IHAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CCSc3ccccc3)cc2)n1 2709541 URZLITLCUWMIGU-UHFFFAOYSA-N 428.539 3.707 0 40 IHAB C[C@@H](NC(=O)c1ccccc1NC(=O)Cn1cc(C(F)(F)F)ccc1=O)c1ccccc1 3451886 UORFAIUHCJEZGZ-OAHLLOKOSA-N 443.425 3.997 0 40 IHAB O=C(COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1ccc(F)cc1 3464839 GBJLFULULKUFFT-UHFFFAOYSA-N 439.892 3.693 0 40 IHAB CC(C)Cn1c(S[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)nc2ccccc2c1=O 3493847 WGPXXVRAXNYJNV-HNNXBMFYSA-N 439.537 3.943 0 40 IHAB O=C(N[C@H]1CCN2C(=O)c3cc(-c4ccsc4)ccc3NC(=O)[C@@H]2C1)c1cccs1 8300056 JCSCXYLUBYNKNI-YJBOKZPZSA-N 437.546 3.832 0 40 IHAB biogenic,in-vitro COc1ccccc1[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](O)C(=O)O 8700636 DNZIXULKIJUDJI-GOTSBHOMSA-N 433.460 3.721 0 40 IHAB CCn1c(S[C@@H](C(=O)N2CCOCC2)c2ccccc2)nnc1-c1ccc(OC)cc1 8752580 XUGNIJZMNMZGEU-HXUWFJFHSA-N 438.553 3.666 0 40 IHAB Cc1c(C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCCO4)C2=O)oc2ccccc12 8880604 ZWENKINWDBMQTO-XMMPIXPASA-N 434.448 3.552 0 40 IHAB COC(=O)CNC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 8993239 NWWAXNSAVTXAKQ-UHFFFAOYSA-N 425.916 3.614 0 40 IHAB CCOC(=O)c1ccc2nc(NC(=O)c3nn(-c4ccc(C)cc4)ccc3=O)sc2c1 9206039 LMZGUWKZKZJBHM-UHFFFAOYSA-N 434.477 3.580 0 40 IHAB O=C(CNc1ccccc1C(=O)NC[C@H]1CCCO1)NC(c1ccccc1)c1ccccc1 9207052 SUXPBSBVKAAMCN-JOCHJYFZSA-N 443.547 3.913 0 40 IHAB COc1ccc(-c2nnc3n(Cc4ccc(F)cc4)c(=O)c4ccccc4n23)c(OC)c1 9252093 QBASNVJHKKGCJL-UHFFFAOYSA-N 430.439 3.916 0 40 IHAB CCOc1cc(C)ccc1OCc1nnc(S[C@H](C)C(=O)Nc2nc(C)cs2)n1C 9302644 RKDYATGFXUDIDJ-CQSZACIVSA-N 447.586 3.985 0 40 IHAB CC(C)[C@@H](C(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CCC2)c1ccc(Cl)cc1 9386523 IJEIZGPDUVTZNI-QGZVFWFLSA-N 434.945 3.911 0 40 IHAB CC(=O)c1ccc(C(=O)Nc2sc(Cc3ccc4c(c3)OCO4)c(C)c2C(N)=O)cc1 9390695 OXZSLFFZPQMLAN-UHFFFAOYSA-N 436.489 3.930 0 40 IHAB Clc1cc(CSc2nnc(N3CCOCC3)n2-c2ccccc2)cc2c1OCCO2 9468750 AUOKGLUXXJDNDX-UHFFFAOYSA-N 444.944 3.821 0 40 IHAB CCOc1cc2c(cc1/C=C(/C(=O)N1CCOCC1)c1nc3ccccc3[nH]1)O[C@H](C)C2 9549507 XMELEAIORJHXIC-CXDFQFJYSA-N 433.508 3.684 0 40 IHAB Cc1cc(C(=O)CSc2nnnn2C2CCCC2)c(C)n1Cc1ccc2c(c1)OCO2 9638381 AMCZSKRLGAEDHU-UHFFFAOYSA-N 439.541 3.959 0 40 IHAB COc1ccc(Cc2nnc(SCC(=O)Nc3cccc(F)c3)n2-n2cccc2)cc1 9737941 MLDQRARLUQZMLR-UHFFFAOYSA-N 437.500 3.860 0 40 IHAB CCOC(=O)c1c(NC(=O)COC(=O)Cc2c[nH]c3ccccc23)sc2c1CCC2 9883923 ISGODUKPCNMHMO-UHFFFAOYSA-N 426.494 3.619 0 40 IHAB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)Nc3nc(SC)nn32)cc1 9942452 BEJSRJXRUAQJJK-LJQANCHMSA-N 437.525 3.945 0 40 IHAB COc1ccccc1CNC(=O)CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1 10077643 UKZZVQSJNZMCIW-UHFFFAOYSA-N 430.570 3.555 0 40 IHAB CC(=O)N1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1CC(c3ccc4c(c3)OCO4)=NN12 10213887 OVZMTMRKPMIASY-LJQANCHMSA-N 439.899 3.951 0 40 IHAB Cc1ccc(-c2nnc(SCC(=O)Nc3sc4c(c3C(N)=O)CCCC4)n2C)cc1 10263958 LTTDOTGNMWRTJG-UHFFFAOYSA-N 441.582 3.561 0 40 IHAB Cc1ccc(C)c(-n2c(C)c(C)n3c4c(=O)n(Cc5ccc(F)cc5)c(=O)n(C)c4nc23)c1 10271884 PVQFSSYFXMNIQA-UHFFFAOYSA-N 445.498 3.560 0 40 IHAB COc1ccccc1[C@H](CNC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N(C)C 11603295 RMKFWRRICSBXFG-LPHOPBHVSA-N 433.961 3.571 0 40 IHAB Cc1cc(O[C@@H](C)C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c2c3c(c(=O)oc2c1)CCCC3 11866954 UWTGYNAKLDLHOU-DFXHWTJYSA-N 439.552 3.901 0 40 IHAB Cc1noc(NS(=O)(=O)c2ccc(NC(=O)Cn3c(C)cc4ccccc43)cc2)c1C 12532569 LPSUDHRGYNKPEW-UHFFFAOYSA-N 438.509 3.994 0 40 IHAB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)c1)c1ccc(Cl)cc1 13616078 OMSTXPQIPSXPFQ-YQMDMEMYSA-N 435.863 3.691 0 40 IHAB COc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)cc1C(=O)NC(C)C 13681473 IWYSYABHNDRAKW-UHFFFAOYSA-N 431.341 3.619 0 40 IHAB O=C(NCc1ccccc1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 13682733 ARTORAYNDXXDEJ-QGZVFWFLSA-N 441.380 3.852 0 40 IHAB COc1ccc(C(=O)CN2C(=O)N[C@@](Cc3ccccc3)(c3ccccc3)C2=O)cc1F 14129524 YRQRBVWHRZONKN-VWLOTQADSA-N 432.451 3.707 0 40 IHAB COc1ccc(S(=O)(=O)[C@@H](CNC(=O)Cc2ccc(F)cc2)c2cccs2)cc1 15780811 SXLDMUIGAHTICL-FQEVSTJZSA-N 433.526 3.770 0 40 IHAB COc1ccc(C)cc1NC(=O)CSc1nc2c(-c3ccccc3)c[nH]c2c(=O)n1C 16840940 ZRAXAUADJVZMHS-UHFFFAOYSA-N 434.521 3.976 0 40 IHAB COc1ccc(CCNC(=O)COC(=O)c2c(NC(=O)C(C)(C)C)sc(C)c2C)cc1 17133406 YKFKMZFTMSTGBO-UHFFFAOYSA-N 446.569 3.874 0 40 IHAB O=S(=O)(NCCc1csc2nc(-c3cccc(F)c3)nn12)c1ccc(Cl)s1 17155187 WWDSYBPBTMTBQA-UHFFFAOYSA-N 442.950 3.833 0 40 IHAB CC(C)Nc1ncc(-c2ccncc2)c(C2CCN(C(=O)Cn3cc(Cl)cn3)CC2)n1 19450269 ITOUZPQQXSYLKV-UHFFFAOYSA-N 439.951 3.615 0 40 IHAB CCOc1ccc(O[C@@H](C)C(=O)N2C[C@@H](c3cccc(F)c3)[C@@]3(CCCC(=O)N3)C2)cc1 19533598 GEJRZTBQKSDITB-QOKIKDITSA-N 440.515 3.657 0 40 IHAB CNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCN(C(=O)c2cccc(OC)c2)C1 19591580 NDMRNZHPTAHHLQ-AREMUKBSSA-N 429.520 3.578 0 40 IHAB COc1ccc(Br)cc1-c1n[nH]c(Nc2ccc(N3CCOCC3)cc2)n1 20259382 UFIBWGGXJKNNTL-UHFFFAOYSA-N 430.306 3.823 0 40 IHAB COc1ccc(-n2cc(-c3ccccc3)c3c(N4CCN(C(C)=O)CC4)ncnc32)cc1 21796562 HBSFBLXKDNPENB-UHFFFAOYSA-N 427.508 3.765 0 40 IHAB CN(C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1)c1cccs1 22759676 BMQNGCWVSABPHS-FQEVSTJZSA-N 443.594 3.606 0 40 IHAB O=C(NC[C@@H](c1ccco1)N1CCc2ccccc2C1)C(=O)Nc1ccc(F)c(Cl)c1 22907538 UQRHWPZQKNWMDF-FQEVSTJZSA-N 441.890 3.926 0 40 IHAB CCOc1ccc(N2C[C@H](C(=O)Nc3ccc(C(=O)Nc4cccnc4)cc3)CC2=O)cc1 24897041 IKWZJVZGUSTKTP-GOSISDBHSA-N 444.491 3.724 0 40 IHAB Cn1c(=O)c2ccccc2n2c(CN3CCc4sccc4[C@@H]3c3ccccc3)nnc12 24945614 YLHDENBLKRGNKU-QFIPXVFZSA-N 427.533 3.790 0 40 IHAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)Cc1csc2nc(-c3ccccc3)cn12 26909899 KCYKFMQRGCUDRL-UHFFFAOYSA-N 425.535 3.956 0 40 IHAB COC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-n2cccc2)cc1 27546059 DFARIKSFJFQOKM-UHFFFAOYSA-N 447.520 3.884 0 40 IHAB O=C(CN1CCC(C(=O)NCc2ccccc2)CC1)NC1c2ccccc2-c2ccccc21 29116219 IERORDVYHDGZHB-UHFFFAOYSA-N 439.559 3.901 0 40 IHAB Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 32250016 FHJGTWQPTSBJHL-GOSISDBHSA-N 425.916 3.934 0 40 IHAB O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cccc(S(=O)(=O)NC2CC2)c1 32675599 OIUTVVGCAGGJIR-UHFFFAOYSA-N 432.505 3.923 0 40 IHAB CC1CCN([C@@H](CNS(=O)(=O)c2ccc3oc(=O)ccc3c2)c2cccs2)CC1 32758997 HYDLPTMCHFDRBS-SFHVURJKSA-N 432.567 3.606 0 40 IHAB Cc1oc(-c2cccs2)nc1CSc1nnc(N2CCOCC2)n1C[C@@H]1CCCO1 32893562 YVZWNWHUPKTBDC-HNNXBMFYSA-N 447.586 3.611 0 40 IHAB C[C@@H](NC(=O)CSCc1ccc(C(=O)N2CCCC2)cc1)c1ccc2c(c1)OCCO2 32907804 JJNVPYFHHKCXDC-QGZVFWFLSA-N 440.565 3.804 0 40 IHAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)N3CCN(c4nsc5ccccc45)CC3)c12 36616564 IZOZSMXAGOEFPA-UHFFFAOYSA-N 432.553 3.726 0 40 IHAB CCOc1ccc(N([C@@H](C)C(=O)N[C@H](CC)c2ccc(OC)cc2)S(C)(=O)=O)cc1 38751831 IEBRMLCAKSEBFX-HRAATJIYSA-N 434.558 3.516 0 40 IHAB O=C(NCc1ccc(CN2CCOCC2)cc1)[C@H]1CCCN(Cc2ccccc2Cl)C1 38830737 IVGZEJHKQXDHTA-QHCPKHFHSA-N 442.003 3.701 0 40 IHAB CC1CCC(NC(=O)COC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCc3ccccc32)CC1 39639709 KSJOLOPKRGCWDJ-NLDTVIPQSA-N 426.557 3.620 0 40 IHAB C[C@H]1CCC[C@@H](C)N1C(=O)c1cc(Cl)ccc1NCC(=O)Nc1ccc(C(N)=O)cc1 40135350 NFRLTMSZVMACNT-GASCZTMLSA-N 442.947 3.893 0 40 IHAB Cc1ccc(NC(=O)CSc2nc3[nH]ncc3c(=O)n2-c2ccc(F)c(F)c2)c(C)c1 51316765 HRRUGLQTSIAIEF-UHFFFAOYSA-N 441.463 3.735 0 40 IHAB Ic1ccc2ncnc(N3CCN(Cc4ccccc4)CC3)c2c1 54214516 XHWNDWPVUFCWFU-UHFFFAOYSA-N 430.293 3.557 0 40 IHAB O=C(NC[C@@H]([C@H]1CCOC1)N1CCCC1)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 58433999 XLHGSNHCQYZHSA-AVRDEDQJSA-N 446.567 3.967 0 40 IHAB CC(=O)N1CCCCC[C@H]1Cc1c(C(=O)NCc2noc(C)n2)sc2ccccc12 72370791 QWRBYLMINGJIIW-INIZCTEOSA-N 426.542 3.856 0 40 IHAB CCN(CC)C(=O)CN1CCCC[C@H]1c1nc(C)c2c(n1)N(Cc1ccccc1)C(=O)CC2 72371094 LMPRTNANMWKIDW-QFIPXVFZSA-N 449.599 3.660 0 40 IHAB CCOc1ccc(O[C@@H](C)C(=O)N2CCC[C@H](c3cc(C(F)F)n4ncnc4n3)C2)cc1 72395363 DHUQPPNPKSDUIK-GJZGRUSLSA-N 445.470 3.634 0 40 IHAB COC(=O)[C@H]1C[C@H](OC)CN1C(=O)CC1(Cc2nc3ccccc3s2)CCCCC1 95957496 XVYDOGJGHFSOTN-FUHWJXTLSA-N 430.570 3.968 0 40 IHAB C[C@H]1CCC[C@H](C)N1C[C@@H](O)COc1ccc(OC[C@H](O)CN2[C@@H](C)CCC[C@H]2C)cc1 101263551 ODYINPFMZIJYIN-MRIDXKINSA-N 448.648 3.692 0 40 IHAB CC[C@@H](NC(=O)[C@@H](C)N(c1ccc(OC)c(OC)c1)S(C)(=O)=O)c1ccc(C)c(C)c1 220242488 GUOXRDGTOUZYPT-YLJYHZDGSA-N 448.585 3.743 0 40 IHAB CCCNC(=O)c1ccccc1NC(=O)[C@@H](CC)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220572361 ZXFUOYJPICWJMY-OAQYLSRUSA-N 445.585 3.627 0 40 IHAB CC[C@@H](C(=O)Nc1ccc(OC)cc1OC)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O 222500287 GEKJOXBLOQLZHG-KRWDZBQOSA-N 444.912 3.680 0 40 IHAB 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COc1ccc(OC)c(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2)c1 15083305 DDSOLRCMOVFCCS-HZPDHXFCSA-N 432.542 3.623 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COc1ccc(C)cc1C 15318725 IAYSUSXWMDVWFW-UHFFFAOYSA-N 432.542 3.504 0 40 IHAB COc1ccc(NC(=O)c2ccc(S(=O)(=O)c3ccc(C)c(C)c3)nc2)c(OC)c1 16845371 DDUZPRUVKDOEHQ-UHFFFAOYSA-N 426.494 3.801 0 40 IHAB O=S(=O)(Nc1nc2ccccc2nc1NCc1ccc2c(c1)OCO2)c1cccs1 16956604 JIHIONOEQMGUSX-UHFFFAOYSA-N 440.506 3.833 0 40 IHAB O=C(Nc1ccncc1)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 17586275 CCBVPTKDEXIGRU-UHFFFAOYSA-N 432.299 3.897 0 40 IHAB CC(=O)N(C)C1CCC2(CC1)CN(C(=O)COc1ccccc1F)Cc1ccccc1O2 19016321 WZJCZXMBFJVFHW-UHFFFAOYSA-N 440.515 3.785 0 40 IHAB CC(=O)NCC(=O)N1CCCC[C@@H]1c1nc(Nc2cccc(F)c2)cc(-c2cccnc2)n1 19021354 XFYFXYKRBDXRTF-OAQYLSRUSA-N 448.502 3.611 0 40 IHAB O=C(Cc1ccc(F)cc1)N1CCCC[C@@H]1c1nc(O)c2c(n1)CN(C1CCCC1)CC2 19333339 PZAWRDIHDHJBMD-JOCHJYFZSA-N 438.547 3.918 0 40 IHAB CCNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)C2CCCC2)CCO1 19529230 ZEQZNLSWDBTHDA-XMMPIXPASA-N 426.582 3.882 0 40 IHAB COc1ccc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4cccs4)n3)C2)c(OC)c1OC 19552767 CYGSOACYRDHPOA-HNNXBMFYSA-N 441.553 3.904 0 40 IHAB COc1ccc(CN2CCC(c3n[nH]cc3C(=O)N3CCCCCC3)CC2)cc1OC 19560870 XZVMDQJWSXJNCY-UHFFFAOYSA-N 426.561 3.823 0 40 IHAB CCn1ccc(C(=O)N2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2ccc(OC)cc2)n1 19694627 BBRRGBZTGPKDOT-OAQYLSRUSA-N 434.544 3.802 0 40 IHAB O=C(NCc1ccc(F)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 20017021 HCHYJUKSINRAFC-FQEVSTJZSA-N 426.513 3.696 0 40 IHAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC 20050701 XUFWWGMHGQTGAD-NRFANRHFSA-N 446.569 3.974 0 40 IHAB COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(Cl)c1 20726219 PCJJBHSNLVWRKG-PZJWPPBQSA-N 438.915 3.505 0 40 IHAB O=C(c1cc(-c2cccs2)on1)N(Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 21786070 RFWMRSUWGNRTNI-OAHLLOKOSA-N 436.942 3.886 0 40 IHAB CCc1nc2sc([C@@H](c3ccc(Cl)cc3Cl)N3CCN(C)CC3)c(O)n2n1 22854432 RYEOFQIGJGKCMK-OAHLLOKOSA-N 426.373 3.702 0 40 IHAB Fc1ccccc1[C@@H](c1nnnn1Cc1ccccc1)N1CCN(C2CCCCC2)CC1 22929208 APFJSBYZPQULQS-DEOSSOPVSA-N 434.563 3.900 0 40 IHAB O=C(c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F)N1CCN(c2nccs2)CC1 22969049 GQDLKYZDNLRCKS-UHFFFAOYSA-N 441.866 3.963 0 40 IHAB O=C1c2ccccc2N[C@@H](c2ccccc2Br)N1CCCN1CCOCC1 23818950 XKZUXXSJJHVVCD-HXUWFJFHSA-N 430.346 3.738 0 40 IHAB C[C@H](CNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)c1ccccc1 24037007 PGSOJSQBUNWRLG-GOSISDBHSA-N 426.513 3.941 0 40 IHAB Cc1nc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)sc1C 24042407 HTYKHXYVRBCKRG-UHFFFAOYSA-N 437.568 3.664 0 40 IHAB O=C(Nc1cccnc1-n1cccn1)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 25011655 OKMKAFNWFBRESC-UHFFFAOYSA-N 431.456 3.968 0 40 IHAB COc1cc(CN(C)C(=O)CN2C(=O)COc3ccccc32)ccc1OCc1ccccc1 25280798 FXSYIXWLQBCYIE-UHFFFAOYSA-N 446.503 3.658 0 40 IHAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1sccc1S(=O)(=O)N1CCCC1 25324472 OTOJINVOIGVFOG-UHFFFAOYSA-N 434.539 3.826 0 40 IHAB Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N2CCN(CC(=O)N3CCCCC3)CC2)c1 27376133 BRXZNIWHAPLFMN-SANMLTNESA-N 448.611 3.613 0 40 IHAB COC(=O)c1sccc1NC(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 31662567 VTKQOISJQVBZHO-UHFFFAOYSA-N 442.324 3.831 0 40 IHAB O=S1(=O)C[C@@H]2[C@H](C1)N=C(SCc1ccc(F)cc1Cl)N2c1ccccc1F 32640424 VTQKLPUFAXEMOO-DOTOQJQBSA-N 428.913 3.893 0 40 IHAB C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl)CS2 32810826 DZCVXGGNTWYKIO-SCLBCKFNSA-N 425.341 3.631 0 40 IHAB CCN(CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)[C@H](C)c1cccc(OC)c1 32927256 PIUZWMQHNOXRQS-CQSZACIVSA-N 426.485 3.713 0 40 IHAB O=C(O[C@@H]1CCOC1=O)c1c2c(nc3ccccc13)/C(=C\c1ccc3c(c1)OCO3)CC2 33571525 ODNMCJONTPNJMU-UMDONVSZSA-N 429.428 3.923 0 40 IHAB CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=S)NC(=O)c2ccccc2F)CC1 33656034 CPNWYGXQVQHONO-UHFFFAOYSA-N 448.951 3.665 0 40 IHAB COc1cccc(NC(=O)N(Cc2cc3cc(C)ccc3n3nnnc23)C[C@@H]2CCCO2)c1 35311110 UAQZIOFNTYNEPR-NRFANRHFSA-N 446.511 3.808 0 40 IHAB Cc1cccc(O[C@@H](C)C(=O)Nc2cccc(OCc3cc(=O)n4oc(C)cc4n3)c2)c1 35378588 FNVLPLLANTUIHB-KRWDZBQOSA-N 433.464 3.889 0 40 IHAB Cc1nc2c(C(=O)NC3CCCC3)nc(-c3cccs3)cc2n1[C@@H]1CCS(=O)(=O)C1 35682969 IXTWYYBQXUIHMB-OAHLLOKOSA-N 444.582 3.500 0 40 IHAB C[C@H]1CCCN(C(=O)CSc2nc3ccccc3n2CC(=O)N2C[C@@H](C)C[C@H](C)C2)C1 36351102 VGACNPHYZYEFFK-FHWLQOOXSA-N 442.629 3.891 0 40 IHAB C[C@H]1CN(C(=O)C2CCN(C(=O)CCc3cccc(Cl)c3Cl)CC2)C[C@@H](C)O1 40121014 NKAQERFPLJBUKR-GASCZTMLSA-N 427.372 3.800 0 40 IHAB COC(=O)c1ccc(OC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)c(OC)c1 40160265 OFWCHSGLSBXRHW-JWDGYQHVSA-N 441.524 3.595 0 40 IHAB CCN(CC)Cc1nc(C2(NS(=O)(=O)c3cccc(Cl)c3Cl)CCCC2)no1 48313096 PQTJRKMHEZGFNG-UHFFFAOYSA-N 447.388 3.966 0 40 IHAB CCc1ccc(-n2nnc(C(=O)N3CCN(c4ccccc4)CC3)c2-c2ccncc2)cc1 49003480 VPSWGLRTDMSPSF-UHFFFAOYSA-N 438.535 3.854 0 40 IHAB CCN(Cc1ncc(C(=O)O)c(Nc2ccccc2)n1)S(=O)(=O)c1ccc(Cl)cc1 49469752 NPQYPEZZBNEVOK-UHFFFAOYSA-N 446.916 3.783 0 40 IHAB O=C(Nc1ccc2c(c1)C(=O)N1CCCC[C@H]1CCO2)c1cncc(Br)c1 49524329 MUCFGKLCALFYEK-INIZCTEOSA-N 430.302 3.874 0 40 IHAB O=C(CCC1CCCC1)N1CCN(S(=O)(=O)c2cc(Cl)cnc2C2CCC2)CC1 57773961 UBFSPXVJRZKTCJ-UHFFFAOYSA-N 440.009 3.806 0 40 IHAB Cc1cc2nc(SCC(=O)Nc3ccc4c(c3)OCO4)n(CCC(C)C)c(=O)c2[nH]1 67238152 PSPZRODZNCWOLB-UHFFFAOYSA-N 428.514 3.539 0 40 IHAB Cc1ccc(-c2noc(-c3cccnc3N3CCC(C(=O)NC[C@@H]4CCCO4)CC3)n2)cc1 71326337 DQUXJEDIVAUDEM-FQEVSTJZSA-N 447.539 3.619 0 40 IHAB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1cc(Cl)nc(N(C)C)c1 72281577 YXFATSYOLNPRAA-UHFFFAOYSA-N 439.741 3.583 0 40 IHAB OCCCN[C@@H]1c2cc(-c3ccc(F)cc3)cnc2Sc2nc(-c3cccnc3)nn21 72396324 RWJGXKFBYKMTMW-FQEVSTJZSA-N 434.500 3.525 0 40 IHAB Cc1cc(-c2cccc(F)c2)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 78903585 BJNDZHGVRPGVER-UHFFFAOYSA-N 433.531 3.969 0 40 IHAB Cc1nccn1-c1ccc([C@@H](C)NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)cc1F 79025196 ZEAGDRDMXYQKRN-OAHLLOKOSA-N 433.487 3.756 0 40 IHAB COc1cc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3[C@@H]2CCOC(C)(C)C2)cc2c1OCO2 96117800 HXXFTKCCJGSVND-FZKQIMNGSA-N 431.514 3.930 0 40 IHAB CCn1c(SCC(=O)N[C@@H]2CCCC[C@H]2C)nnc1[C@H](C)NC(=O)c1ccccc1 103142304 FYFHXTJHRWZTQY-SOLBZPMBSA-N 429.590 3.576 0 40 IHAB CCOc1ccc(N([C@H](CC)C(=O)NCCCc2ccc(C)cc2)S(C)(=O)=O)cc1 220677165 UQAQCJBPLSMAMJ-JOCHJYFZSA-N 432.586 3.687 0 40 IHAB CN(C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Br)s1 223211645 NFRANPVOBVNHQA-JKSUJKDBSA-N 425.421 3.830 0 40 IHAB CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1cc(OC)cc(OC)c1 223271375 RLACHVINSLJMNJ-KRWDZBQOSA-N 446.519 3.555 0 40 IHAB CC[C@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(OC)cc1 223328658 ABEASUIGDWNUIO-LJQANCHMSA-N 439.339 3.934 0 40 IHAB Cc1nn(CCNC(=O)Cc2ccc(S(=O)(=O)C(C)C)cc2)c(C)c1-c1ccccc1 238865478 LRCNBNPWKONDEY-UHFFFAOYSA-N 439.581 3.708 0 40 IHAB CCOC(=O)[C@@H]1C[C@H]2C(Cl)=C[C@@]13[C@H]1Cc4ccc(OC)c5c4[C@@]3(CCN1C)[C@@]2(C)O5 253505139 QFJCSTJNJZNCPB-YCBZQMSSSA-N 429.944 3.666 0 40 IHAB biogenic,in-vitro Cc1cc(C(=O)N2CC[C@@H]3[C@H]2CCCC(=O)N3Cc2ccccc2)nc(N2CCCCC2)n1 257301681 RZJWVTTUXZEYCM-DHIUTWEWSA-N 447.583 3.571 0 40 IHAB COc1ccc(F)cc1C(=O)N1CCC2(CC1)CO[C@]1(C)CC[C@@H](C(C)(C)O)O[C@H]1C2 257344312 ZWOXFRWJFNALOD-SXWKCWPCSA-N 435.536 3.554 0 40 IHAB O=C1N(Cc2ccsc2)CCO[C@]12CN(Cc1ccsc1)C[C@H]2c1cccnc1 306128470 HAZXZJMYRAXVRQ-UNMCSNQZSA-N 425.579 3.602 0 40 IHAB CC(C)c1nc2c(s1)CN(Cc1ccc(F)cc1)CC21CCN(S(C)(=O)=O)CC1 306141411 VVBVDQPCAISSST-UHFFFAOYSA-N 437.606 3.715 0 40 IHAB CC(C)Oc1cccc(NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)c1 408615677 CBNRRSFCUQFHPX-UHFFFAOYSA-N 441.347 3.641 0 40 IHAB COc1cccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(C)cc2)c1 409054505 ASZRSARRRZTDBU-WAUWHALJSA-O 448.930 3.673 0 40 IHAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(Cl)cc2Cl)cc1 409197942 SHRJVGRZZMXKRJ-ZDUSSCGKSA-N 445.368 3.765 0 40 IHAB CN1CCN(C(=S)c2ccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)cc2)CC1 409247810 OAURYHCCWRBBOG-UHFFFAOYSA-N 438.380 3.934 0 40 IHAB O=C1C[C@@H](c2cc(Br)ccc2OCc2ccc(Cl)cc2)N2NC=NC2=N1 409369986 IWKNBDTYDZRNAM-HNNXBMFYSA-N 433.693 3.857 0 40 IHAB Cc1nc(Nc2nnc(C)s2)cc([C@@H]2CCCCN2C(=O)/C=C/c2csc(C)n2)n1 585291363 OCURPFZYLXTUJS-OZSKJFCKSA-N 441.586 4.220 0 40 IHAB Cn1c(=O)c2c(nc(SCc3ccccc3F)n2Cc2ccc(Cl)cc2)n(C)c1=O 798856 WFDFUQBLGHVATH-UHFFFAOYSA-N 444.919 3.567 0 40 IHAB CCOc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=S)NCc3ccco3)cc2c1 879349 RZTVPOSTXIOUHI-UHFFFAOYSA-N 448.548 3.992 0 40 IHAB CCc1cccc(CC)c1N1C[C@H](C(=O)OCC(=O)Nc2cccc(Cl)c2)CC1=O 1289386 NCAAPUNSMXURSV-QGZVFWFLSA-N 428.916 4.000 0 40 IHAB O=C(CN1CCC(c2nc3ccccc3s2)CC1)Nc1ccc(N2CCOCC2)cc1 1335285 LMLWHFMUNMRPSC-UHFFFAOYSA-N 436.581 3.951 0 40 IHAB COc1ccc(Oc2c(C(F)(F)F)oc3cc(OS(C)(=O)=O)ccc3c2=O)cc1 1807446 IXWXDAKTHUSKHR-UHFFFAOYSA-N 430.356 3.951 0 40 IHAB Cn1c(Cn2cnc(Cl)c2Cl)nnc1SCC(=O)Nc1ccccc1Cl 2154202 DNDJWSDNAJDYNP-UHFFFAOYSA-N 431.736 3.751 0 40 IHAB CCN(CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(OC)c1OC 2400475 PZPGBUWEXDLINY-OAQYLSRUSA-N 436.508 3.697 0 40 IHAB CCOCCCn1c(SCC(=O)Nc2ccccc2OC)nc2ccccc2c1=O 2634822 PUYISHVVZCTYLA-UHFFFAOYSA-N 427.526 3.563 0 40 IHAB CCCn1c(SCC(=O)N2CC(=O)Nc3ccccc32)nc2cc(Cl)ccc2c1=O 3370457 AYEPBNAFVVDYOK-UHFFFAOYSA-N 442.928 3.537 0 40 IHAB CCOc1ccc(CCNC(=O)CSc2nc(-c3ccccc3)cn2N)cc1OCC 3376183 BYPSSYAOARZVFF-UHFFFAOYSA-N 440.569 3.512 0 40 IHAB CCc1nnc2sc(-c3ccc(C)c(NC(=S)NC(=O)Cc4ccccc4)c3)nn12 4125377 ZTTFIMGSWZSNRK-UHFFFAOYSA-N 436.566 3.779 0 40 IHAB COc1ccc(NC(=S)N(CCCN(C)C)Cc2cc3ccc(C)cc3[nH]c2=O)cc1 6281988 MYNUOXMBTZTTJK-UHFFFAOYSA-N 438.597 3.996 0 40 IHAB O=C(CN1C(=O)N[C@H](CCc2ccccc2)C1=O)Nc1c(Cl)cccc1C(F)(F)F 8825285 GGLIIAMSIGNDFG-OAHLLOKOSA-N 439.821 3.851 0 40 IHAB CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)C1=O 8862224 NIIZMVVJIHIQEJ-RUZDIDTESA-N 440.459 3.997 0 40 IHAB COCCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1ccc(Cl)cc1 8988510 LKCXVIAWFMBYLV-UHFFFAOYSA-N 432.933 3.984 0 40 IHAB O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)N1CCN(c2ccccc2)CC1 9127320 LTNQQHLDSQCTOT-UHFFFAOYSA-N 445.548 3.968 0 40 IHAB Cc1ccc(CNC(=O)[C@@H]2CCc3sc(NC(=O)c4ccc5c(c4)OCO5)nc32)cc1 9132464 MTZZCYVPNNTFHV-MRXNPFEDSA-N 435.505 3.779 0 40 IHAB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCc1csc(-c2ccccc2)n1 9284271 HEVFVFQAUYRYFO-ZDUSSCGKSA-N 436.942 3.874 0 40 IHAB COc1cccc(C(=O)n2nc(-c3cccnc3)nc2NCc2ccc(OC)c(OC)c2)c1 9288880 WXUOUQWXPRFANV-UHFFFAOYSA-N 445.479 3.667 0 40 IHAB CCS(=O)(=O)c1ccc(C(=O)N2CCN(c3nc4cc(C)c(C)cc4s3)CC2)cc1 9317413 VVYSAEUJUYZUIG-UHFFFAOYSA-N 443.594 3.669 0 40 IHAB CC[C@H](C)N1C(=O)S/C(=C/c2cc(I)c(O)c(OC)c2)C1=O 9323950 RSUFHGZXWVBOEV-OTIXFSKASA-N 433.267 3.840 0 40 IHAB CCOC(=O)CSc1nnc(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)s1 9366908 JXRMFJPOJSLGDR-UHFFFAOYSA-N 427.507 3.677 0 40 IHAB C[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccc(-n2cncn2)cc1 9377272 NQKYMHCFVIPXHZ-APWZRJJASA-N 437.931 3.650 0 40 IHAB O=C(CCc1cnn(-c2ccccc2)c1)Nc1ccc2nc(N3CCOCC3)sc2c1 9415380 DQPQHUCKGASBOH-UHFFFAOYSA-N 433.537 3.890 0 40 IHAB COC(=O)c1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc1 9480122 VHLWVUYEBDYEGG-SNVBAGLBSA-N 427.787 3.912 0 40 IHAB C[C@@H]1CCCC[C@H]1NC(=O)CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1=O 9486138 PYGZMVITHVEOHU-DJKXOVBDSA-N 444.963 3.759 0 40 IHAB COc1ccc(C(=O)NCc2cccs2)cc1S(=O)(=O)N(C)Cc1ccccc1 9665416 BWEKNFQDCGOCRG-UHFFFAOYSA-N 430.551 3.507 0 40 IHAB COc1ccc(CNc2nc(-c3cccs3)nn2S(=O)(=O)c2ccccc2)cc1 9667649 RGNMOJHNMWYICC-UHFFFAOYSA-N 426.523 3.864 0 40 IHAB COc1ccc2cc(CN(CCN(C)C)C(=S)Nc3ccc(F)cc3)c(O)nc2c1 9704230 UQVSRQWOEVBHSS-UHFFFAOYSA-N 428.533 3.849 0 40 IHAB O=S1(=O)CC[C@H](N(Cc2ccco2)S(=O)(=O)c2ccc(C3CCCCC3)cc2)C1 9794339 XXQCECFECYVHLC-IBGZPJMESA-N 437.583 3.705 0 40 IHAB Cc1cccc(N2CCN(C(=O)c3ccccc3SCC(=O)N3CCCC3)CC2)c1C 9847189 WBBCPGZOHPIXBI-UHFFFAOYSA-N 437.609 3.980 0 40 IHAB COc1ccccc1-n1nnnc1SCC(=O)N1CC[C@@H](C)Sc2ccccc21 9953728 VZKSRXXVDZLVKW-CQSZACIVSA-N 427.555 3.681 0 40 IHAB O=C(NC(=S)Nc1ccc2oc(-c3ccncc3)nc2c1)c1ccc2c(c1)OCCO2 10060052 CCDVUTHTBVBLSE-UHFFFAOYSA-N 432.461 3.788 0 40 IHAB Cc1ccc(-n2c(C)cn3c4c(=O)n(CCc5ccccc5)c(=O)n(C)c4nc23)cc1Cl 10271849 KSZHLAPWNMISMZ-UHFFFAOYSA-N 447.926 3.652 0 40 IHAB COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CSc1nccn1-c1cccc(C)c1C 10348138 DGINHJDPOWOJHV-NRFANRHFSA-N 435.549 3.708 0 40 IHAB C[C@H](Sc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)C(=O)Nc1ccc(F)cc1 11363826 RHTIZHJEMMQUAU-WMLDXEAASA-N 427.501 3.834 0 40 IHAB CCCCc1cc(=O)oc2cc(C)cc(OCC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)c12 11866921 WFOZOWBLYQCZSL-DFBJGRDBSA-N 427.541 3.976 0 40 IHAB CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccc4c(c3)NC(=O)[C@@H](C)S4)n2)o1 12050733 QMHOPYTZNFJGEB-SNVBAGLBSA-N 442.522 3.724 0 40 IHAB COCCn1c(SCc2cccc(F)c2)nc2cc(C(=O)NC(C)C)ccc2c1=O 12415115 ZSVGAYMEHRQGNC-UHFFFAOYSA-N 429.517 3.613 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)Nc2sc3c(c2C(=O)N2CCOCC2)CCCC3)c1 12544765 ZJDLUXVCXVCVRG-UHFFFAOYSA-N 434.583 3.517 0 40 IHAB CC(=O)N1CCCc2cc(S(=O)(=O)N(C)Cc3ccc(C(F)(F)F)cc3)ccc21 12760228 GIXFVBWJGUYIPW-UHFFFAOYSA-N 426.460 3.825 0 40 IHAB CC(C)(C)c1ccc(OC[C@@H](O)CN2C(=O)N[C@](C)(c3ccc(Cl)cc3)C2=O)cc1 12845435 CVKNBUNBAAMPLW-FDDCHVKYSA-N 430.932 3.844 0 40 IHAB COc1ccc(CNC(=O)COc2cc3c(c4oc(=O)cc(C)c24)CCC(C)(C)O3)cc1 12887994 USYRMAOMZAWXNE-UHFFFAOYSA-N 437.492 3.909 0 40 IHAB biogenic Cc1c(Cl)c(CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCCO4)C2=O)nc2ccccc12 12895372 FJSAPTBRWVDPEN-QHCPKHFHSA-N 437.883 3.935 0 40 IHAB C[C@@H](NC(=O)COc1ccccc1C(=O)NCc1ccccc1)c1ccc2c(c1)OCO2 13112558 MOAUPROLBBRUJK-QGZVFWFLSA-N 432.476 3.602 0 40 IHAB COc1ccc([C@@H]2C[C@@]3(CC(C)(C)NC(=S)N3)Oc3cc(O)cc(C)c32)cc1OC 13521666 BTCOZNHGOKWHSS-HJPURHCSSA-N 428.554 3.975 0 40 IHAB Cc1cc(=O)c(C(=O)OCc2cc(Cl)c3c(c2)OCCO3)nn1-c1ccc(Cl)cc1 15554165 KMFYYQSIXRZPGE-UHFFFAOYSA-N 447.274 3.976 0 40 IHAB Cc1ccc(-n2ncc3c(O)nc(-n4nc(C)cc4NC(=O)c4cccs4)nc32)cc1 16839213 HEOSKXYORITYGU-UHFFFAOYSA-N 431.481 3.637 0 40 IHAB Cc1cc(C(F)(F)F)n2nc([C@@H]3CCN(S(=O)(=O)Cc4ccc(F)cc4)C3)cc2n1 19117162 PCPRCAPHRYQMIH-CQSZACIVSA-N 442.438 3.515 0 40 IHAB COc1ccc(CC(=O)N2CCC([C@@H]3C[C@H](C(F)F)n4nc(C)cc4N3)CC2)cc1OC 19128812 CMZFYULUDHBUOR-ZWKOTPCHSA-N 448.514 3.680 0 40 IHAB CCCN1CCN(C(=O)c2nccn2C)C[C@@H](Cc2ccccc2-c2ccccc2)C1=O 19503226 BPUATXWWAXBHCW-JOCHJYFZSA-N 430.552 3.640 0 40 IHAB CNC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)Cc2ccccn2)C1 19591143 ZSAMUWOMFAJUAH-VWLOTQADSA-N 433.577 3.950 0 40 IHAB Cc1c(C(=O)N2CC[C@@H](c3nc(N(C)C)ncc3-c3cnn(C)c3)C2)oc2ccccc12 19693742 YYIIBTWKGJVSCZ-MRXNPFEDSA-N 430.512 3.627 0 40 IHAB CN(C)c1ncc(-c2ccc(F)cc2)c([C@@H]2CCCN(C(=O)c3n[nH]c4c3CCCC4)C2)n1 19693922 USSKBTISDGCGNA-QGZVFWFLSA-N 448.546 3.970 0 40 IHAB Cc1nn(C)cc1C(=O)N1CCC[C@@H](c2nc(C)c3c(n2)N(Cc2ccccc2)CCC3)C1 19706912 QOWJHTCKDYHNOC-OAQYLSRUSA-N 444.583 3.800 0 40 IHAB O=C(COc1ccc(Cl)cc1)Nc1ccc(N2CCOCC2)c(Br)c1 20611649 HVHZCXCWBQAVFM-UHFFFAOYSA-N 425.710 3.957 0 40 IHAB O=C(OCc1cc(F)cc2c1O[C@H](c1ccccc1)OC2)c1ccc(-n2cnnn2)cc1 21228868 WIITUHBJCXBJTJ-HSZRJFAPSA-N 432.411 3.766 0 40 IHAB Cc1csc2nc(COC(=O)c3cccc(NC(=O)c4cccc(F)c4)c3)cc(=O)n12 21633121 KVFITAORFYZSEX-UHFFFAOYSA-N 437.452 3.813 0 40 IHAB Cc1ccc(NC(=O)COC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1F 21841621 HXBCAOTVPXARHK-UHFFFAOYSA-N 439.409 3.946 0 40 IHAB O=C(CN(c1ccccc1F)S(=O)(=O)c1cccs1)Nc1ccc(F)c(F)c1 22393584 SCPLZYGLVMKIKA-UHFFFAOYSA-N 426.441 3.999 0 40 IHAB Cc1ccc([C@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)c(C)c1 22510159 AJNBSJBLAHSUFL-SFHVURJKSA-N 432.561 3.862 0 40 IHAB c1ccc(CN2CCN([C@H](c3ccccc3)c3nnnn3Cc3cccs3)CC2)cc1 22929747 NFGWSDLSTPSEMC-HSZRJFAPSA-N 430.581 3.690 0 40 IHAB Cc1cc(C)nc(-n2nc(C)c(CC(=O)N(C)Cc3ccc(OC(F)F)cc3)c2C)n1 24563764 IIOWVAJTTCPALO-UHFFFAOYSA-N 429.471 3.698 0 40 IHAB COc1cccc(SCC(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)c1 27662595 WBPIPNCCAHJEJI-UHFFFAOYSA-N 446.594 3.551 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCOc3ccc(F)cc3)c2)cc1 29296836 BXTSSHZRGXZONF-UHFFFAOYSA-N 428.485 3.744 0 40 IHAB O=C(CN1CCN(C(=O)c2ccccc2CCc2ccccc2)CC1)NCc1ccccc1 29986334 CHTCWSSMHCQGJL-UHFFFAOYSA-N 441.575 3.546 0 40 IHAB O=C(N[C@H](Cc1ccccc1)C(=O)NCCCn1cccn1)c1ccc(Cl)cc1Cl 30169744 WRYAYAFPFYELBX-HXUWFJFHSA-N 445.350 3.738 0 40 IHAB COc1ccc(S(=O)(=O)N(C)Cc2ccccc2N2CCCC2)cc1Br 31071877 DBFLGFVMENZCLH-UHFFFAOYSA-N 439.375 3.879 0 40 IHAB COc1ccc(CNC(=O)CSc2nnc(NC(=O)c3ccccc3C)s2)cc1 35311285 HQPNIPOLFPJJBZ-UHFFFAOYSA-N 428.539 3.516 0 40 IHAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NCC(=O)Nc3ccc(F)c(F)c3)c12 36739471 RYQDLQFYVDZUGB-UHFFFAOYSA-N 435.434 3.590 0 40 IHAB CCn1ncc2c(C(=O)N3CCN(C(=O)c4ccccc4)CC3)cc(-c3ccccc3)nc21 40033457 NLNWWWNXKCAPLW-UHFFFAOYSA-N 439.519 3.716 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)NCC1CCN(C(=O)Oc2ccccc2)CC1 43957274 YQYVJDUDQCMDQZ-UHFFFAOYSA-N 438.933 3.538 0 40 IHAB CCCCCNC(=O)C1CCN(Cc2cc(=O)n3c(-c4ccccc4)csc3n2)CC1 48290811 JSYXTVOATPNFBT-UHFFFAOYSA-N 438.597 3.941 0 40 IHAB Cc1c(C)n(C2CCCCC2)c2ncnc(OC3CCN(CC(=O)NC(C)C)CC3)c12 72336005 FZUDOPKGGDQTQJ-UHFFFAOYSA-N 427.593 3.921 0 40 IHAB CC(=O)NC1(CC(=O)N2CCC[C@H]2c2cc(Nc3cnccn3)cc(C)n2)CCCCC1 72372732 RIWAHVQTKDAHDJ-NRFANRHFSA-N 436.560 3.816 0 40 IHAB O=C(Nc1nc2c(s1)C(=O)CCC2)c1ccnc(Cl)c1I 89884762 SFMKBTAIFLQJIM-UHFFFAOYSA-N 433.658 3.567 0 40 IHAB CC(C)c1nc(CCNC(=O)c2ccnc(Cl)c2I)cs1 95449283 FTRRDMVWTQQBEJ-UHFFFAOYSA-N 435.718 3.892 0 40 IHAB O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC(Oc2ncccc2Cl)CC1 96024868 YPKFDWIBPTYYKF-UHFFFAOYSA-N 436.839 3.866 0 40 IHAB CCCC(=O)N1CCc2nc3cc(C4CCN(Cc5cccc(C)c5)CC4)nn3c(O)c2C1 100243061 TZWDBXTVKQUMML-UHFFFAOYSA-N 447.583 3.808 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(OC)ccc3n2CC)cc1 100821055 BIYHDOULPNWRGR-DQRAZIAOSA-N 447.582 3.503 0 40 IHAB CC(=O)[C@H](C(=O)CCSCCO)[C@@H](SCCO)c1ccc(Cl)c(Cl)c1 100917801 OERFCFONDQCMFC-SJORKVTESA-N 425.399 3.650 0 40 IHAB O=C(Nc1ccccc1Cl)[C@H]1[C@@H]2C(=O)N(CCc3c[nH]c4ccccc34)C[C@@]23C=C[C@H]1O3 136133914 JKCDUQKQKPKOSA-XAISMOLKSA-N 447.922 3.785 0 40 IHAB CC[C@H](C(=O)N[C@@H](C)COc1ccc(C)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 219094283 UDWSZILSRSBRCR-OXJNMPFZSA-N 438.977 3.777 0 40 IHAB CC[C@@H](C(=O)NCc1ccccc1Cl)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O 222506144 GZEMDGYQYFFNPX-KRWDZBQOSA-N 433.332 3.994 0 40 IHAB C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)N(Cc1ccccc1)C(=O)Cc1ccccc1 222763324 ZYEAQDYERKHPGA-IBGZPJMESA-N 430.504 3.692 0 40 IHAB CC(C)CNS(=O)(=O)c1ccc(CCC(=O)Nc2cc(-c3cccc(F)c3)[nH]n2)cc1 223048045 IQJPDVPSGUGLJE-UHFFFAOYSA-N 444.532 3.721 0 40 IHAB Cc1ccc(OC[C@H](C)NC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)cc1C 223558358 WHNJJTDULDAFFR-SFHVURJKSA-N 436.549 3.572 0 40 IHAB CCOc1ccc(CNC(=O)c2ccc(CN(C)S(=O)(=O)c3ccccc3)cc2)cc1 224413178 KAXWDLMLELOZDV-UHFFFAOYSA-N 438.549 3.836 0 40 IHAB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)COc1cccc(C)c1 224907913 YXSPHWPBPQGMNZ-QHCPKHFHSA-N 426.557 3.962 0 40 IHAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)[nH]1 225467833 ITEFHBZAUABDFM-WOJBJXKFSA-N 441.582 3.575 0 40 IHAB Cc1cc(S(=O)(=O)NC[C@@H](c2ccoc2)N2CCSCC2)c(Cl)cc1Cl 253401675 NKJTWSVOQLIWTC-INIZCTEOSA-N 435.398 3.963 0 40 IHAB CC1(C)Oc2c(O)cccc2[C@H]2OC[C@@]3(C[C@@H]21)CN(Cc1ccc(C(=O)O)cc1)CCO3 257242887 IEPQHYOYIUAVTK-PIBDYAPNSA-N 439.508 3.610 0 40 IHAB O=C(CCc1nc2ccccc2s1)N1CCO[C@H](c2cccc(Nc3cnccn3)n2)C1 257242920 IESOCAALRFZDBV-SFHVURJKSA-N 446.536 3.758 0 40 IHAB Cc1cccc([C@@]2(C(=O)N(C)C)CCCN2Cc2cccc(OCc3ccccn3)c2)n1 257255151 KGINLANADBFQFQ-AREMUKBSSA-N 430.552 3.944 0 40 IHAB COc1cccc(N([C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)S(C)(=O)=O)c1 260945430 VAWWLLAZLZOSAJ-DLBZAZTESA-N 430.570 3.606 0 40 IHAB CC(C)n1cc(CN2CCN(CC3CC3)[C@H](c3cn4c(N5CCCC5)cccc4n3)C2)cn1 306136175 PLOQQYSXYXHXSG-DEOSSOPVSA-N 447.631 3.981 0 40 IHAB COc1ccc(-c2cnc3c(N4CCN(Cc5cnn(C(C)C)c5)CC4)nccn23)cc1 306144240 ZAHUFYJSELUKJK-UHFFFAOYSA-N 431.544 3.505 0 40 IHAB CCc1cccc(CC)c1N1C[C@@H](C(=O)Oc2ccc(N3C(=O)CCC3=O)c(C)c2)CC1=O 408650919 BWJFRLKCTGPSDO-IBGZPJMESA-N 448.519 3.732 0 40 IHAB O=C(Nc1ccccc1-c1cn2c(n1)CCCC2)c1ccc(=O)n(Cc2cccc(F)c2)n1 575618366 AYGIDHIOVIIKEM-UHFFFAOYSA-N 443.482 3.883 0 40 IHAB C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(Cc2cccc(C(=O)N3CCCCC3)c2)C1=O 614509078 SUCGMPXNMRSAQY-SANMLTNESA-N 431.536 3.769 0 40 IHAB Cc1nn(C)cc1C(=O)N1CCC2(CCCCCCOc3ccccc3C(=O)NC2)CC1 643558857 VOHCIAYMKMLERE-UHFFFAOYSA-N 438.572 3.724 0 40 IHAB CO[C@@]1(C(F)(F)F)CCCN(S(=O)(=O)c2cnc3onc(-c4ccccc4)c3c2)C1 685597496 RBFOXSWDMXDJKL-SFHVURJKSA-N 441.431 3.622 0 40 IHAB COc1ccc(C(=O)N2CCC3(CC2)C[C@@H](C(=O)N2CCCC2)c2ccccc23)c(OC)c1 1565554947 LOKTXNWYQGFFNH-JOCHJYFZSA-N 448.563 3.988 0 40 IHAB CC(=O)c1ccc(NC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2cccs2)cc1 645771 AUGIVSDYNQWPBK-HXUWFJFHSA-N 440.546 3.705 0 40 IHAB biogenic,in-vitro CC[C@]1(C(=O)c2ccccc2)[C@H]2c3cc(Br)ccc3OC(=O)[C@]21C(=O)OC 720411 SPEZWJOIRKUOFO-MAODMQOUSA-N 429.266 3.904 0 40 IHAB CCCCN(CCCC)C(=O)c1cn(CC)c2cc(N3CCN(C)CC3)c(F)cc2c1=O 1819077 ZGOVJBBAJKVEJI-UHFFFAOYSA-N 444.595 3.955 0 40 IHAB CCCc1cc(=O)oc2c(C)c(OC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C)cc3)ccc12 2095823 TXLKNHMVSPHQNG-MRXNPFEDSA-N 443.521 3.635 0 40 IHAB biogenic COc1ccc(OC)c([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nncs2)c1 2431695 YBOAGRRSZVZAJW-SFHVURJKSA-N 435.461 3.720 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CCc2nc(-c3ccc(OC)c(OC)c3)no2)cc1 2431873 NDSDHCVLOVYEIZ-UHFFFAOYSA-N 425.441 3.502 0 40 IHAB CCCc1cc2c(=O)n(NC(=O)[C@H](C)n3nc(C(F)(F)F)cc3C)c(C)nc2s1 2778691 DSALFEAFRGHLOQ-JTQLQIEISA-N 427.452 3.574 0 40 IHAB CC(C)(C)CC(C)(C)c1ccc(OCCOCCOCCOCCOCCO)cc1 4528775 WQBPSJIAFZCNBR-UHFFFAOYSA-N 426.594 3.838 0 40 IHAB biogenic CCOc1cc(C(=O)OCc2cc(=O)n3c(C)csc3n2)cc(OCC)c1OCC 8605474 YZLQGVLNOHPMPO-UHFFFAOYSA-N 432.498 3.618 0 40 IHAB C[C@H](OC(=O)CNC(=O)c1sc2ccccc2c1Cl)C(=O)NCc1ccccc1 8629812 QMGNENZMYIVSSJ-ZDUSSCGKSA-N 430.913 3.533 0 40 IHAB O=C1O[C@@H](CNS(=O)(=O)c2ccccc2Cl)CN1c1ccc(Cl)c(Cl)c1 8838491 HMMCFUASOCCHES-NSHDSACASA-N 435.716 3.951 0 40 IHAB O=C(Nc1nc2c(s1)CCC[C@H]2C(=O)NCc1cccs1)c1ccc2c(c1)OCO2 9104062 OJGUQQVVCWVBKB-CQSZACIVSA-N 441.534 3.922 0 40 IHAB COc1ccc(Cn2c(=O)c3ccccc3n3c(-c4ccc(NC(C)=O)cc4)nnc23)cc1 9252117 BSLYHWDBGAUDCZ-UHFFFAOYSA-N 439.475 3.727 0 40 IHAB CCOc1cc2c(cc1CNC(=O)C1CCN(C(=O)c3cccs3)CC1)O[C@H](C)C2 9337515 ZVUCBMMDPMPJKB-OAHLLOKOSA-N 428.554 3.639 0 40 IHAB C[C@H](NC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1)C(=O)O 9423709 FFBFBSYSVPRTOI-AWEZNQCLSA-N 425.916 3.914 0 40 IHAB COc1ccc(NS(=O)(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2C)cc1 9491491 NXPAJSRHKSVLCF-UHFFFAOYSA-N 438.552 3.667 0 40 IHAB O=C1CCCN1c1ccc(S(=O)(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 9638216 OOYXPOMYXLNQLJ-SFHVURJKSA-N 427.551 3.949 0 40 IHAB Cc1noc(C)c1COc1ccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 9638299 UXORJQPNFWJSBN-UHFFFAOYSA-N 432.480 3.921 0 40 IHAB Cc1ccc(NC(=O)CSc2nc(C)c(C)c(C)n2)cc1S(=O)(=O)N1CCCCC1 9689825 YUOJNDUAEJMDQT-UHFFFAOYSA-N 448.614 3.616 0 40 IHAB COc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2-n2cccc2)c(OC)c1 9707801 DGDOOCPDKXDOFQ-UHFFFAOYSA-N 441.538 3.868 0 40 IHAB COc1cccc(COC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)c1OC 9712519 DPWYZSIEKPENTK-UHFFFAOYSA-N 431.444 3.857 0 40 IHAB CCCNC(=O)c1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 10009744 GEKLUNGOOPHWDD-UHFFFAOYSA-N 443.550 3.941 0 40 IHAB O=C(Nc1nc2c(s1)COc1ccccc1-2)[C@H]1CCCN1S(=O)(=O)c1cccs1 10187025 PBBOIEAERAVXOD-CYBMUJFWSA-N 447.563 3.556 0 40 IHAB Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)NCCCOC(C)C)cc3C[C@H]2C)cc1 10327117 ITRGGPDONQHKME-GOSISDBHSA-N 430.570 3.680 0 40 IHAB C[C@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccc(S(C)(=O)=O)cc1 10966550 GXPULYZRLLLZPE-NSHDSACASA-N 446.750 3.762 0 40 IHAB COc1cccc(-n2c(SCC(=O)Nc3ccc(F)cc3)nc3c(c2=O)SCC3)c1 12140630 QJFDDEKMRJJSKG-UHFFFAOYSA-N 443.525 3.759 0 40 IHAB O=C(C[C@H]1NC(=O)N(C2CCCCC2)C1=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 12375158 IHYXJBXCWJLHNY-QGZVFWFLSA-N 427.501 3.700 0 40 IHAB CCCCNS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 12521191 QKYMTYASFKMCCF-UHFFFAOYSA-N 436.477 3.585 0 40 IHAB CC(C)c1ccc(NC(=O)[C@H](NS(=O)(=O)c2ccc3c(c2)OCCO3)C(C)C)cc1 12797407 YCHVUHIILLJTRL-OAQYLSRUSA-N 432.542 3.523 0 40 IHAB CCn1c(SCC(=O)Nc2cc3c(cc2Cl)OCCO3)nc2ccsc2c1=O 12825075 IKPJRKROBTWAMA-UHFFFAOYSA-N 437.930 3.633 0 40 IHAB Cc1cccc(C(=O)N[C@H](C(=O)OCC(=O)N[C@H](C)c2cc3ccccc3o2)C(C)C)c1 12892929 NMRBWQPJOCCSAI-HXOBKFHXSA-N 436.508 3.916 0 40 IHAB O=C(Nc1ccccc1O)C1CCN(CC(=O)N(Cc2ccccc2)CC(F)(F)F)CC1 12913883 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CCOC(=O)[C@H]1CCCN([C@@H](c2cccc(F)c2)c2sc3nc(CC)nn3c2O)C1 36370443 LBZWKNDPUBTGPH-YOEHRIQHSA-N 432.521 3.562 0 40 IHAB CCCOc1ccc(S(=O)(=O)NCCCN2CCO[C@H](c3ccccc3)C2)cc1C 36700336 BCLRZCYQYOQXDQ-QHCPKHFHSA-N 432.586 3.526 0 40 IHAB O=C(Nc1ccccc1)N1CCN(C(=O)c2ccccc2SC[C@H]2CCCO2)CC1 40017849 RPBMUVTWPBTKKB-LJQANCHMSA-N 425.554 3.948 0 40 IHAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NCc3cccc(OC(C)C)c3)CC2)c1 44902736 DLIHFKSSUIFSHH-UHFFFAOYSA-N 444.597 3.640 0 40 IHAB COc1ccc2cccc(NC(=O)c3cc(-c4cc(OC)c(OC)c(OC)c4)n[nH]3)c2n1 49027970 UQULXVFJSJZNCQ-UHFFFAOYSA-N 434.452 3.912 0 40 IHAB CCN(Cc1ccccc1)C(=O)Cn1cccc1-c1nc(-c2ccc3c(c2)OCO3)no1 57487067 FIBQLVYIQPPMGX-UHFFFAOYSA-N 430.464 3.983 0 40 IHAB C[C@@H](Nc1ccc(N2CCCC2=O)c(Cl)c1)C(=O)N1CCN(Cc2ccccc2)CC1 57838666 ZGNJPJBTJGFUAH-GOSISDBHSA-N 440.975 3.612 0 40 IHAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NC3CCCC3)Oc3ccc(Cl)cc32)cc1 64986101 NAAQLBJNFGIEJJ-FQEVSTJZSA-N 434.945 3.664 0 40 IHAB COc1ccc(-c2cc3c(N4CCN(c5ccccc5F)CC4)nccn3n2)cc1OC 67285351 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Cc1cc(C)c(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Br)cc2)c(C)c1 10041190 SIURPQLJNBSWDA-AWEZNQCLSA-N 425.348 3.680 0 40 IHAB Cc1nc2ccccc2c(=O)n1-c1ccc(F)c(NS(=O)(=O)c2ccc(F)cc2F)c1 10186585 HYUQCVRDZORXOA-UHFFFAOYSA-N 445.422 3.912 0 40 IHAB COc1ccccc1CNC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccccc1 10326227 CZFUCBCXBLCXBB-KRWDZBQOSA-N 436.533 3.765 0 40 IHAB Cc1ccc(NC(=O)CS[C@@H](C)C(=O)OCc2cc(=O)oc3cc(O)ccc23)cc1 10571966 YJOSXSZYQJKVIW-AWEZNQCLSA-N 427.478 3.611 0 40 IHAB O=C(CCS(=O)(=O)Cc1ccccc1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 10621614 SFLUTWDCOZFDLN-SFHVURJKSA-N 444.578 3.813 0 40 IHAB O=C(CCCN1C(=O)c2ccc(Br)cc2C1=O)NCC1(c2ccccc2)CC1 11750295 KZNGBOGTJBWKDU-UHFFFAOYSA-N 441.325 3.673 0 40 IHAB CCOc1ccc(CC(=O)N[C@@H](C)c2nc3cc(-c4ccc(OC)cc4)ncn3n2)cc1 12085163 SDBBZUAQORNCSK-INIZCTEOSA-N 431.496 3.619 0 40 IHAB Cc1cc(NC(=O)c2ccccc2Cl)n(-c2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)n1 12444269 SLLYHASBNRFJEJ-UHFFFAOYSA-N 445.870 3.509 0 40 IHAB Cc1cccc(C(=O)N[C@H](c2nnc(SCC(=O)NC3CCCCC3)n2C)C(C)C)c1 12463501 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CC(C)(C)OC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC(C)(C)C)[C@@H]1/C=C/c1ccccc1 13597521 XPPRYOYKKOSLAZ-DYFCSSJVSA-N 430.541 3.956 0 40 IHAB O=S(=O)(c1ccc2ccccc2c1)N1CCN(C(=S)Nc2ccccc2F)CC1 13598027 RMZADEXWSAWEPI-UHFFFAOYSA-N 429.542 3.682 0 40 IHAB Cc1nc2c(sc(=S)n2Cc2ccco2)c(=O)n1CC(=O)Nc1ccccc1F 13607271 CRVUZPXXROREEA-UHFFFAOYSA-N 430.486 3.717 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCCN2CCCCCC2)c2ccccc2)cc1 13672797 NSMBXZLRIGSPAF-UHFFFAOYSA-N 443.613 3.573 0 40 IHAB CC[C@@H](C(=O)Nc1cc(OC)c(Cl)cc1OC)N(c1ccccc1)S(C)(=O)=O 13711679 SMPXYDWOJJCOSX-INIZCTEOSA-N 426.922 3.541 0 40 IHAB CC[C@H](C(=O)NCCSCc1ccco1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714545 XJWNPSHZJYOHEN-QGZVFWFLSA-N 430.979 3.527 0 40 IHAB Cc1cc(C(=O)Nc2ccc(Cn3cc(Br)cn3)cc2)c2c(C)nn(C)c2n1 13960942 NMAXNSVHUABJQE-UHFFFAOYSA-N 439.317 3.845 0 40 IHAB O=C(OCc1cc(=O)n2ccsc2n1)c1nn(-c2ccc(F)cc2)c2c1CCCCC2 14363945 BLGAJTJWCXYENK-UHFFFAOYSA-N 438.484 3.707 0 40 IHAB O=c1[nH]nc(SCc2nc(-c3ccc(F)cc3)no2)n2nc(-c3cccs3)cc12 16844075 SAOUDTKPCCCXGA-UHFFFAOYSA-N 426.458 3.628 0 40 IHAB COc1ccc(-c2cc3c(SCC(=O)Nc4ccc5c(c4)OCO5)nccn3n2)cc1 16954713 ZUIMPNZKXIVERL-UHFFFAOYSA-N 434.477 3.864 0 40 IHAB CC(C)NC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)c2ccnn2C)C1 19449483 LROPUSKFKLBVHU-DEOSSOPVSA-N 436.581 3.748 0 40 IHAB COc1cccc(CN2CCN(C)C(=O)[C@@H](Cc3ccccc3-c3cccnc3)C2)c1OC 19589645 ZEZFAZMVIZLCEZ-QHCPKHFHSA-N 445.563 3.899 0 40 IHAB COc1ccc(-c2nccnc2[C@@H]2CN(C(=O)c3ccc4c(c3)CCCN4C)CCO2)cc1 19693316 JDWIZVYBYXMJMR-QHCPKHFHSA-N 444.535 3.748 0 40 IHAB NC(=O)c1[nH]c([C@H]2CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)nc1-c1ccccc1 19698944 HAEOFWLYEKMVEV-IBGZPJMESA-N 441.535 3.996 0 40 IHAB COc1ccc(CC(=O)N2CC[C@@H](c3ncc(C(=O)Nc4ccccc4F)c(C)n3)C2)cc1 19758011 WBWNGGCCQNOQTG-GOSISDBHSA-N 448.498 3.744 0 40 IHAB Cc1nc([C@@H]2CCCN(C(=O)CCCc3ccc(F)cc3)C2)ncc1C(=O)N1CCCC1 19762952 UQBZRTZLGNBAJQ-HXUWFJFHSA-N 438.547 3.889 0 40 IHAB Cc1ccc(NC(=O)CN2C(=O)[C@@]3(SCC(=O)N3c3ccccc3)c3ccccc32)cc1 20573833 CDVSFCQVBUMQPG-VWLOTQADSA-N 443.528 3.913 0 40 IHAB CCc1ccccc1NC(=O)COc1cc(C)nc(N2CCN(c3ccccc3)CC2)n1 21360881 HTADNEJBMODNTM-UHFFFAOYSA-N 431.540 3.692 0 40 IHAB CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(OC)cc2OC)CC1 21595981 MDVPMZBPVIGEQF-UHFFFAOYSA-N 431.920 3.668 0 40 IHAB Cc1cccc(C)c1OCC(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2 21894577 VJHRGBNLZBSBMU-UHFFFAOYSA-N 428.554 3.734 0 40 IHAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1nc(CN2CCC(C)CC2)cs1 22291681 DIMAPERTDBNWNL-NRFANRHFSA-N 439.585 3.542 0 40 IHAB CC[C@H](C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cccc(C(F)(F)F)c1 22350886 XRBJVONKCSGORY-HNNXBMFYSA-N 428.476 3.811 0 40 IHAB COC(=O)c1cc(NC(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)ccc1Cl 22393856 JSOFOTIOPRTDHL-UHFFFAOYSA-N 438.933 3.655 0 40 IHAB CC(C)(C)c1ccc(OCCOC[C@H](O)CN2CCN(Cc3ccccc3)CC2)cc1 22466174 XPIDTUQNYCBJCL-XMMPIXPASA-N 426.601 3.558 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)N[C@H](C)c1cc(C)c(C)cc1C 22539498 ILKXSSPOTIZXQB-HZPDHXFCSA-N 438.977 3.818 0 40 IHAB O=C(N[C@H](CN1CCOCC1)c1ccccc1)c1ccc(NC(=O)c2cccs2)cc1 23907917 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COc1ccccc1/C=C(/C(=O)N1CCN(C(=O)c2cc(C)no2)CC1)c1ccccc1 40122776 VSIJCTRDZRPKSL-HEHNFIMWSA-N 431.492 3.517 0 40 IHAB CN(CC(=O)Nc1nc(-c2ccc(F)c(Cl)c2)cs1)S(=O)(=O)c1cccs1 57984789 JTWSCXYGWWYRBR-UHFFFAOYSA-N 445.950 3.923 0 40 IHAB O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)c2cccc(CN3CCCC3)c2)CC1 59949300 SPBVLDJXTCNKMM-UHFFFAOYSA-N 434.536 3.789 0 40 IHAB CS(=O)(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)c2ccccc2)c(F)c1 60324056 XXWGWRXDCHQBAN-UHFFFAOYSA-N 448.541 3.635 0 40 IHAB COc1cccc(OC)c1C(=O)N1CCCC[C@H]1c1nc(N(C)C)ncc1-c1ccncc1 72341478 XIGIEGQGROBXCH-IBGZPJMESA-N 447.539 3.989 0 40 IHAB COc1cccc(-c2cncc(C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)n2)c1 72359485 JEQLZYLHWVOZHP-UHFFFAOYSA-N 427.501 3.860 0 40 IHAB CC(C)(C)OC(=O)NC(C)(C)C(=O)N1CCC(c2cccc(Br)n2)CC1 72360858 YVZFTJCDZUOYRZ-UHFFFAOYSA-N 426.355 3.853 0 40 IHAB CN(C)c1nc(COc2ccccn2)cc(NCC2(c3cccc(F)c3)CCOCC2)n1 72373188 ZEHXNTCMOXSUJU-UHFFFAOYSA-N 437.519 3.816 0 40 IHAB O=C(Nc1ccc(N2CCOCC2)nc1)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 78954351 PJUREDLZFYUSKQ-UHFFFAOYSA-N 449.599 3.971 0 40 IHAB O=S(=O)(NCc1ccccc1CN1CCCC1)c1cc(Br)ccc1F 84505916 NCPSJPFRUJMLJZ-UHFFFAOYSA-N 427.339 3.663 0 40 IHAB O=C1CN(c2nc(-c3ccccc3)c3cc(Br)ccc3n2)[C@H]2C=CC=C[C@@H]2N1 89851090 QIFJOGLQNDMZEU-OALUTQOASA-N 433.309 3.859 0 40 IHAB CCOc1ccc2c(c1)sc1ncc(S(=O)(=O)c3ccc(F)c(Cl)c3)c(=O)n12 98212022 VAKHGSYIPYAORT-UHFFFAOYSA-N 438.889 3.933 0 40 IHAB CC(C)C(=O)N1CCc2c(nc3cc(C4CCN(C[C@H]5CC=CCC5)CC4)nn3c2O)C1 100232739 MTOOEBKKYSETPS-SFHVURJKSA-N 437.588 3.511 0 40 IHAB CC[C@@H](NC(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O)c1ccc(OC)cc1 113965140 RQMCTJVMCUBXKG-HXUWFJFHSA-N 440.512 3.787 0 40 IHAB Cc1ccc(C)c(-c2cc(C(=O)N3CCN(c4cc(C(F)(F)F)nc(C)n4)CC3)[nH]n2)c1 225734195 OOUHEYJVKJDDBQ-UHFFFAOYSA-N 444.461 3.773 0 40 IHAB O=C(Nc1nnc(S(=O)(=O)NCc2ccccc2Cl)s1)c1ccccc1Cl 225740559 CIYBYIKGJUMAJG-UHFFFAOYSA-N 443.337 3.576 0 40 IHAB CC(C)NC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)[C@H]2C[C@H]2C)CCO1 247976112 FTMYFZDPROOUPC-YQOVMPOYSA-N 426.582 3.736 0 40 IHAB Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN2C(=O)c2cccc(-n3cnnc3)c2)n1 257279273 OFVUBQZWKAWNSC-FQEVSTJZSA-N 445.914 3.937 0 40 IHAB CC(=O)N[C@H]1CC[C@](CNC(=O)C(C)(C)c2ccc(C)cc2)(c2ccccc2)CC[C@@H]1O 257287554 PQLNEXNRAHKLHJ-DPZBCOQUSA-N 436.596 3.766 0 40 IHAB Cc1cnc(-c2nnc([C@H]3CC[C@H](CNC(=O)Cc4sc(C)nc4C)CC3)o2)cn1 257299929 RSFHOOAQJRBWQP-WKILWMFISA-N 426.546 3.541 0 40 IHAB Cc1ccc(Oc2ncccc2C(=O)N2CC[C@]3(CN(Cc4ccccc4)C(=O)O3)C2)cn1 257308344 TWKBDKFFSXDZRO-RUZDIDTESA-N 444.491 3.814 0 40 IHAB Cc1cc(-c2cnc(N)nc2)cc([C@H]2CN(C(=O)CCc3cccc(Cl)c3)CCO2)n1 257329416 XJXCQTCUFVEQOY-OAQYLSRUSA-N 437.931 3.615 0 40 IHAB O=C(c1ccc(Oc2ncccn2)cc1)N1CCC(N2CCc3ccccc3C2=O)CC1 257333713 YCTBWZOCJJUYFB-UHFFFAOYSA-N 428.492 3.572 0 40 IHAB CCOc1ccc(N([C@H](CC)C(=O)N[C@H](C)COc2ccccc2C)S(C)(=O)=O)cc1 260588510 KEQWKTBJWSXDET-WIYYLYMNSA-N 448.585 3.522 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3c4ccccc4C[C@H]3C)C2)cc1C 260743421 PNJNNDYGXPCQSY-QUCCMNQESA-N 442.581 3.772 0 40 IHAB C[C@@H]1CCCC[C@@H]1NC(=O)CSc1n[nH]c(-c2cc(Br)ccc2O)n1 408545526 UDQLLWLYTMWDNN-MFKMUULPSA-N 425.352 3.727 0 40 IHAB Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)NCc1ccc(Cl)cc1 408561903 LMGVLVCVPFHWCE-UHFFFAOYSA-N 436.961 3.518 0 40 IHAB CCOC(=O)Nc1cc(S(=O)(=O)Nc2ccc(C(=O)OCC)cc2)ccc1OCC 408587192 SCLLEZMJFPCSKX-UHFFFAOYSA-N 436.486 3.631 0 40 IHAB CCn1c(S/C(=C\c2ccccc2O)C(=O)O)nnc1-c1cc(OC)cc(OC)c1 408635276 ZTMUPHFCGFXPOV-WQRHYEAKSA-N 427.482 3.906 0 40 IHAB Cc1ccccc1N1C[C@H](C(=O)OCC(=O)c2ccc(OC(=O)c3ccco3)cc2)CC1=O 408662321 XWGQEBSLPWSGQP-GOSISDBHSA-N 447.443 3.586 0 40 IHAB O=S(=O)(c1cccc2ccccc12)N1CCC[C@@H](Oc2ncc(Br)cn2)C1 575612557 LFXMEJNWNFYRMX-MRXNPFEDSA-N 448.342 3.624 0 40 IHAB COc1ccc(CCC(=O)N2CCC[C@]3(CCCN3C[C@@H]3CCCO3)CC2)c(OC)c1 585100304 JXQYGUMZNOWVBD-DHLKQENFSA-N 430.589 3.663 0 40 IHAB O=C(O)c1cccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 585141346 TVJPOHSEGKNADC-CCKFTAQKSA-N 425.510 3.956 0 40 IHAB CCC(CC)CN1CCC2(CCCCOC[C@@H](C)NC(=O)[C@H](CC(C)C)NC2=O)CC1 643576546 QNKUIAMPDKQAMP-IRLDBZIGSA-N 437.669 3.741 0 40 IHAB O=C([C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccccc1)N1CC[C@]2(C1)C(=O)Nc1ccccc12 681686017 KWICFIUPDNHUNM-QLCJKUNUSA-N 443.547 3.582 0 40 IHAB CCOC(=O)c1cnn2ccc(NC(=O)[C@]3(C)CC(c4ccccc4Cl)=NO3)cc12 1558552581 CTIGLOXEXQLCSH-NRFANRHFSA-N 426.860 3.686 0 40 IHAB Cc1ncc(CC(=O)N2CCC(c3ccc4cc(-c5cncnc5)cnc4n3)CC2)s1 1891433583 JRYBPMMMOOLBMK-UHFFFAOYSA-N 430.537 3.800 0 40 IHAB COc1ccc(CCN2C[C@H](C(=O)N[C@H](C)c3cccc(Cl)c3)CC2=O)cc1OC 45702736 QJZVZHBAIRAQSB-CRAIPNDOSA-N 430.932 3.626 0 40 IHAB COc1cc(C)ccc1OCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1 9450877 LEJMDOUHRLZYJK-UHFFFAOYSA-N 446.569 3.894 0 40 IHAB CCOc1ccc2[nH]c(=O)c(CN(CCO)C(=S)Nc3ccc(C)cc3C)cc2c1 884993 YZLLVHRLLCTKRR-UHFFFAOYSA-N 425.554 3.735 0 40 IHAB Cc1ccc2cc(CN(CCc3ccccc3)Cc3nnnn3C(C)(C)C)c(=O)[nH]c2c1 926073 JXKXNOGRDBXOPA-UHFFFAOYSA-N 430.556 3.823 0 40 IHAB O=C(NCCc1ccc(F)cc1)[C@H]1CCCN(S(=O)(=O)c2cccc3ccccc23)C1 1347104 MZKSDMDVLQVECV-FQEVSTJZSA-N 440.540 3.739 0 40 IHAB Cc1nc(N2CCN(C(=O)COc3ccccc3)CC2)c2c3c(sc2n1)C[C@H](C)CC3 1377119 RJKAZGAUJJWCSB-MRXNPFEDSA-N 436.581 3.852 0 40 IHAB Cc1c(NC(=O)[C@H](C)OC(=O)c2cc(Cl)ccc2Cl)c(=O)n(-c2ccccc2)n1C 3352261 MQSDBXGQZLNZEU-ZDUSSCGKSA-N 448.306 3.975 0 40 IHAB C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1c(SCC(=O)NC2CCCC2)nc2ccccc21 4859207 AHWFJADGTHDGHA-IAGOWNOFSA-N 428.602 3.977 0 40 IHAB COc1cc(C(=O)OCC(=O)NCc2ccco2)ccc1OCc1ccccc1Cl 2653292 KMSZUMICGMXHDL-UHFFFAOYSA-N 429.856 3.994 0 40 IHAB CS(=O)(=O)N(Cc1ccc(C(=O)NCCCN2CCCCCC2)cc1)c1ccccc1 10111205 WJWVSBQSTJULLO-UHFFFAOYSA-N 443.613 3.649 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCCN3CCC(C)CC3)cc2)cc1 10112518 YITPLJPTRGVCLV-UHFFFAOYSA-N 429.586 3.648 0 40 IHAB CCOc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)c1 10295139 NQOJEFCVOZWJOT-UHFFFAOYSA-N 432.542 3.911 0 40 IHAB CCc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3ccc(N4CCOCC4)cc3)n2)cc1 9368137 DISBZOZRKRVLAG-MRXNPFEDSA-N 437.569 3.990 0 40 IHAB CC(=O)Nc1ccc(NC(=O)COC(=O)COc2ccc(OCc3ccccc3)cc2)cc1 9959162 XAPFBZIHKHSFLQ-UHFFFAOYSA-N 448.475 3.785 0 40 IHAB COc1ccc(OC)c(NC(=O)CSc2nc3sc4c(c3c(=O)[nH]2)CCCC4)c1 886892 AGFQEFUMYWPJPM-UHFFFAOYSA-N 431.539 3.611 0 40 IHAB O=C(Nc1ccc(N2C(=O)CCCC2=O)cc1)N1CCN(c2cccc(Cl)c2)CC1 58168358 MQPIJTSXOOHIPY-UHFFFAOYSA-N 426.904 3.738 0 40 IHAB CC(=O)c1cccc(NC(=O)C2CCN(c3ccc4nnc(-c5ccccc5)n4n3)CC2)c1 61717626 HXOZOBZDNYSBEZ-UHFFFAOYSA-N 440.507 3.849 0 40 IHAB Cc1cc(C)cc(N2C[C@H](C(=O)OCC(=O)c3ccc(Br)cc3)CC2=O)c1 993216 RCIZXCKBBFCSTO-MRXNPFEDSA-N 430.298 3.845 0 40 IHAB O=C(c1cc(Br)c[nH]1)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 24920900 BWHZWDHNUWRSDK-UHFFFAOYSA-N 449.349 3.998 0 40 IHAB O=C(OCC(=O)c1cc2ccccc2o1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 3240589 FAXIQKFZBIVMQI-UHFFFAOYSA-N 449.484 3.951 0 40 IHAB CC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1C 12662036 CSOYJGOZFRGVTF-LJQANCHMSA-N 443.521 3.689 0 40 IHAB biogenic O=C(Nc1ccc(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)s1)c1ccco1 26415714 MRXNYYRTDNWQCM-CQSZACIVSA-N 439.493 3.755 0 40 IHAB NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)Nc1ccccc1SCc1ccccc1 35400050 OGSLQGBOAYEGMS-QFIPXVFZSA-N 431.561 3.830 0 40 IHAB C[C@@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(Cc2coc(-c3cccc(Cl)c3)n2)C1=O 26777954 XEMIIEZQNRFUNR-QFIPXVFZSA-N 439.855 3.777 0 40 IHAB CC(C)Oc1ccc(CCCNC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 22331203 ZIWLUFUHIIZKIY-UHFFFAOYSA-N 438.977 3.642 0 40 IHAB CC(=O)c1ccc(N2CCN(CC(=O)NCCc3ccc(Cl)cc3Cl)CC2)cc1 58161364 NSVJETDSXZDOTP-UHFFFAOYSA-N 434.367 3.677 0 40 IHAB CCC[C@H](NC(=O)Cc1c(C)c2cc3c4c(oc3c(C)c2oc1=O)CCCC4)C(=O)O 2107273 XTWOZEYHCOKHAC-SFHVURJKSA-N 425.481 3.947 0 40 IHAB biogenic O=C(COc1ccccc1F)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCS(=O)(=O)C1 27743789 PYXCSQCVOWYWKP-HNNXBMFYSA-N 446.327 3.727 0 40 IHAB C[C@H](NC(=O)c1ccn(Cn2cc(Br)cn2)n1)c1ccc(-n2cccc2)cc1 28231390 KUHAYYCSTIXVKU-HNNXBMFYSA-N 439.317 3.630 0 40 IHAB C[C@@H]1CN(C(=O)c2ccccc2NC(=O)c2nn(-c3ccccc3)c3c2CCC3)C[C@@H](C)O1 27991249 TVIRWQWGUJCZCJ-QZTJIDSGSA-N 444.535 3.863 0 40 IHAB C[C@]12C(=O)N(CCc3ccc(Cl)cc3)CC(=O)N1CCc1c2[nH]c2ccc(F)cc12 12867007 QKKVZNWUXQOVGJ-QHCPKHFHSA-N 425.891 3.645 0 40 IHAB biogenic Cc1cc(C(=O)CSc2nnnn2-c2ccc(Cl)cc2)c(C)n1C[C@H]1CCCO1 3492925 GIXHWKYBMULRCW-QGZVFWFLSA-N 431.949 3.888 0 40 IHAB aggregator O=C(CCN1CCN(C(=O)c2cccs2)CC1)Nc1ccccc1C(=O)c1ccccc1 12905698 SHURUNIAOXQXDO-UHFFFAOYSA-N 447.560 3.766 0 40 IHAB C[C@H](CCc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 12915843 KRMPZSDWRDNVPH-MRXNPFEDSA-N 436.524 3.503 0 40 IHAB C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)c1ccc(F)cc1F 12912500 UXVBTMOJXOJCJY-HNNXBMFYSA-N 448.535 3.732 0 40 IHAB Cc1ccc(C2=N[C@@](NC(=O)c3ccc(Cl)cc3Cl)(C(F)(F)F)C(=O)N2)cc1 3624320 AFJSZVZVYQRNJV-KRWDZBQOSA-N 430.213 3.867 0 40 IHAB O=C(Cc1cccc2ccccc12)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 13164734 IKKPWLANBFFMQO-HXUWFJFHSA-N 427.504 3.827 0 40 IHAB O=C(Nc1ccccc1C(=O)OCc1nc2sc3c(c2c(=O)[nH]1)CCC3)c1ccco1 13101310 YDLBCBQGGQHROJ-UHFFFAOYSA-N 435.461 3.676 0 40 IHAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1nc(-c2cccc(Br)c2)cs1 13526768 JRZWSLDSTGZUOY-ZIAGYGMSSA-N 448.342 3.686 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)cc2)c2ccc(F)cc2)cc1 113937140 OTBRIIPMGFTMTC-UHFFFAOYSA-N 432.448 3.807 0 40 IHAB Cc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)N4c5ccccc5C[C@@H]4C)CC3)CC2=O)cc1 13844555 AAPLBBOJDUSCMX-SIKLNZKXSA-N 445.563 3.564 0 40 IHAB CCCCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCO)cc1OC 16753566 FYOPBWZEMZHMGB-QFIPXVFZSA-N 437.492 3.908 0 40 IHAB COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)OCc2cc(=O)oc3cc4c(cc23)CCC4)cc1 9666381 FJRNNMVGRBYTPJ-KXKDPZRNSA-N 447.487 3.552 0 40 IHAB C[C@@H](NC(=O)CSc1nnc(NCc2ccccc2)s1)c1ccc2c(c1)OCCO2 9871738 GMPFWBROZQQFDV-CQSZACIVSA-N 442.566 3.891 0 40 IHAB CCOC(=O)N(C)c1ccc(NC(=O)c2cc(C)ccc2N(CCOC)CCOC)cc1 72289512 YYUHKXFRTZPTIP-UHFFFAOYSA-N 443.544 3.939 0 40 IHAB CCOc1cccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)c1OCC(=O)O 409201960 PGSOEYORCHRUAC-AQTBWJFISA-N 427.478 3.828 0 40 IHAB COc1ccccc1NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl 408555023 FLEFEEBNVCZMGY-UHFFFAOYSA-N 438.933 3.541 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(F)c3)C2)cc1Cl 408635999 OBDPHWASEUYKHW-AWEZNQCLSA-N 440.924 3.917 0 40 IHAB CC[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1)c1ccc(C)cc1 20110843 MYCILIQUKLBTPG-KNQAVFIVSA-N 430.570 3.672 0 40 IHAB CCOc1ccc(N(CC(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)S(C)(=O)=O)cc1 22333371 HJZSJOUTALXBKS-HXUWFJFHSA-N 446.569 3.578 0 40 IHAB CCc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)c1 408656238 IPBHJLWTAMHAAG-BGYRXZFFSA-N 434.492 3.724 0 40 IHAB Cc1cc(F)cc2c1CN(C(=O)c1ccc3c(c1)S(=O)(=O)c1ccccc1C3=O)CC2 501238423 ZHGBOLUJZIJBBX-UHFFFAOYSA-N 435.476 3.710 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 408704491 OIGITEXABZTWGB-UHFFFAOYSA-N 438.505 3.944 0 40 IHAB COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)O[C@H](C)C(=O)Nc2ccc(F)c(Cl)c2)cc1 39996273 QSUFIOCRSZYAFO-GFUGXAQUSA-N 448.878 3.576 0 40 IHAB COC(=O)c1ccccc1NC(=O)CSc1nnc(COc2c(C)cccc2C)n1C 33653249 PDAWENQYQSPTIV-UHFFFAOYSA-N 440.525 3.528 0 40 IHAB COc1ccccc1C(=O)N1CCN(C)C(=O)[C@H]1Cc1ccccc1-c1ccccc1OC 72351479 FDPQHNFYXXHCJO-HSZRJFAPSA-N 444.531 3.896 0 40 IHAB COc1cccc(-n2ccn3c(S[C@@H](C)C(=O)c4ccc(C)c(C)c4)nnc3c2=O)c1 64593638 NPIWOOLPFNTBAZ-INIZCTEOSA-N 434.521 3.869 0 40 IHAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCCc1ccccc1Cl 222591488 YXXAIBJRBYQONV-FQEVSTJZSA-N 438.977 3.642 0 40 IHAB CCOc1cccc(CNC(=O)[C@H](CC)N(c2cc(Cl)ccc2C)S(C)(=O)=O)c1 220722268 XZOAXWPNPFMYMC-IBGZPJMESA-N 438.977 3.908 0 40 IHAB CCOC(=O)CN(c1cccc(C(=O)OC)c1C)S(=O)(=O)c1ccc2ccccc2c1 225060767 VEDGGRSPWUNIMJ-UHFFFAOYSA-N 441.505 3.693 0 40 IHAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCN(C)c2ccccc2)cc1 223325497 RFMDWAJXRBEKOO-XLNRJJMWSA-N 435.549 3.780 0 40 IHAB COC[C@]1(CN(C)C)COCCN1C(=O)c1cc(-c2ccc(C)cc2C)nc2ccccc12 1583246128 NEVOQIWFVWMLFY-HHHXNRCGSA-N 447.579 3.938 0 40 IHAB Cc1ccc(-c2nnc(NC(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)s2)cc1 225053776 LBHDKCOSMBFRHR-UHFFFAOYSA-N 442.566 3.940 0 40 IHAB CN(C)S(=O)(=O)c1cccc(C(=O)N[C@H]2CC3(CCCCC3)Oc3ccccc32)c1 225418169 HCCSSOULJUHLRB-FQEVSTJZSA-N 428.554 3.893 0 40 IHAB Cc1nc(C)c(-c2ccc(=O)n(CCNC(=O)C3(c4cccs4)CCCC3)n2)s1 49030806 ORSWMWWWWGQJQU-UHFFFAOYSA-N 428.583 3.673 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCc1cccc(C(F)(F)F)c1)c1ccccc1F 225078967 KGDJECHNUVCBSL-UHFFFAOYSA-N 432.439 3.707 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCCCc1ccccc1Cl)c1ccc(F)c(F)c1 222680834 YSTGUPCGWBUFJU-UHFFFAOYSA-N 444.931 3.913 0 40 IHAB CC(C)Oc1ccc(CCCNC(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc1 222558575 IMDVSHVJZJOCDD-UHFFFAOYSA-N 430.570 3.766 0 40 IHAB Cn1cc([C@@H]([C@@H]2C(=O)CC(C)(C)C[C@@H]2O)[C@@H]2C(=O)CC(C)(C)C[C@H]2O)c2ccccc21 248163743 YWTKGOCKRQCYLM-AFQQNORHSA-N 425.569 3.994 0 40 IHAB C/C=C/C=C/C=C/[C@H](O)[C@H](C)[C@H](CC[C@H](C)[C@@H]1OC(=O)C=C[C@H]1C)OP(=O)(O)O 255995163 PQNNIEWMPIULRS-HWNOVOTFSA-N 428.462 3.684 0 40 IHAB Cc1nc([C@H]2CCN(C(=O)COc3ccccc3)C2)nc2c1CCC(=O)N2CCC(C)C 257272004 NASDAKGAXKDYGC-IBGZPJMESA-N 436.556 3.505 0 40 IHAB 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CC[C@@H](C)N1C(=O)S/C(=C/c2cc(I)c(O)c(OC)c2)C1=O 9323949 RSUFHGZXWVBOEV-LQGZHCLWSA-N 433.267 3.840 0 40 IHAB Cn1c(Sc2ccc(Cl)cc2)nc2c1c(=O)n(Cc1ccc(Cl)cc1)c(=O)n2C 9424348 KLWOTNHEPSAJFL-UHFFFAOYSA-N 447.347 3.940 0 40 IHAB CC(C)Cn1c(SCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)nc2ccccc21 9462444 XUKISDPMGKWFFT-UHFFFAOYSA-N 446.598 3.673 0 40 IHAB C[C@H](OC(=O)/C=C/c1ccc(OC(F)F)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 9512025 RWDUGFWIRDVDTN-VBGPOXQHSA-N 446.450 3.708 0 40 IHAB C[C@@H]1Oc2ccc(NC(=O)c3cn(Cc4ccccc4)nc3-c3cccnc3)cc2NC1=O 9619675 OIGSHKMSQNREAG-INIZCTEOSA-N 439.475 3.965 0 40 IHAB O=C1N[C@H](c2ccc(Br)cc2)[C@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1 9637509 CELBTHLFXVNITK-LALPHHSUSA-N 449.248 3.615 0 40 IHAB CCOC(=O)C1=C(COC(=O)[C@@H](C)Sc2ccccc2)NC(=O)N[C@H]1c1ccccc1 9669453 YMQYAIHPPSFDDD-QRWLVFNGSA-N 440.521 3.582 0 40 IHAB O=C1c2ccccc2C(=O)N1CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 9884057 FZBIVUCLFPDITE-LJQANCHMSA-N 433.851 3.907 0 40 IHAB O=C(CSc1nnc(-c2cc3ccccc3[nH]2)n1-c1ccccc1)NC[C@@H]1CCCO1 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C[C@@H](NC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)c1cccc2ccccc12 12889605 KEZZOYGAELCADU-XLIONFOSSA-N 438.549 3.788 0 40 IHAB CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)c1cccc(S(=O)(=O)NC)c1 13012463 FSSYAPLYJGJMOR-UHFFFAOYSA-N 438.549 3.836 0 40 IHAB O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N[C@H]1CCN(Cc2ccccc2)C1 13126887 GIDLZNNWZHGJMQ-FQEVSTJZSA-N 444.560 3.516 0 40 IHAB COc1cc(C(=O)Nc2cccc(Cl)c2Cl)c(N(C)S(C)(=O)=O)cc1OC 13582612 CITRYICRZIHRMY-UHFFFAOYSA-N 433.313 3.659 0 40 IHAB COC(=O)c1ccc(Oc2coc3c4c(ccc3c2=O)OCN(C[C@@H]2CCCO2)C4)cc1 13687761 KQZYJTUQDXFFLT-KRWDZBQOSA-N 437.448 3.703 0 40 IHAB COc1cccc([C@]2(C)NC(=O)N(NC(=O)c3cccc(Oc4ccccc4)c3)C2=O)c1 14135673 XZRKTLOOESUSLV-DEOSSOPVSA-N 431.448 3.600 0 40 IHAB COc1cc(OC)c(N2C[C@@H](C(=O)NCCSc3ccccc3)CC2=O)cc1Cl 15833385 GHSYERVDBZHGLI-AWEZNQCLSA-N 434.945 3.619 0 40 IHAB COc1ccc(OC)c([C@@H](C)NS(=O)(=O)c2cc(Br)ccc2OC)c1 17333425 FMVBLIVUDGUPNO-LLVKDONJSA-N 430.320 3.514 0 40 IHAB CC(C)(C)c1cc(C(=O)N2CCNC(=O)[C@H](Cc3ccccc3-c3ccccc3)C2)[nH]n1 19083657 RFDZUZPFELXDCF-HXUWFJFHSA-N 430.552 3.805 0 40 IHAB COc1ccc(C)cc1C(=O)CCC(=O)N1CCC[C@H](c2nc(-c3cccnc3)no2)C1 19131987 HRECZDNFGNOZKS-SFHVURJKSA-N 434.496 3.818 0 40 IHAB COc1ccccc1-c1ccc(C[C@@]2(C(N)=O)CCN(C(=O)Cc3cccc(F)c3)C2)cc1 19571615 YEIAGKAIKSWZCD-MHZLTWQESA-N 446.522 3.991 0 40 IHAB COc1ccc(-c2cc(-c3cccnc3)n(CCNC(=O)Cc3c(C)noc3C)n2)cc1 19580507 VIRIUXIEVZZBRO-UHFFFAOYSA-N 431.496 3.584 0 40 IHAB CC(=O)N1CCc2nc([C@H]3CCCN(C)C3)nc(NCc3ccccc3OC(C)C)c2C1 19711368 GQQYLPWVLZEJIE-FQEVSTJZSA-N 437.588 3.590 0 40 IHAB Cc1nc([C@@H]2CCCCN2Cc2cccnc2N(C)C)nc2c1CCC(=O)N2CC1CC1 19741079 GBNQVFROMKBYFJ-NRFANRHFSA-N 434.588 3.662 0 40 IHAB Cc1nc(C2CCN(C(=O)CCCn3ccnc3C)CC2)ncc1C(=O)Nc1ccccc1 19764237 UZTROCQBYRSAGH-UHFFFAOYSA-N 446.555 3.729 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccn2)c2ccc(Cl)cc2C)cc1 20236333 BAFRLEDGNSTMJV-UHFFFAOYSA-N 443.956 3.864 0 40 IHAB COc1ccccc1NC(=O)COc1cc(Br)c(/C=C/C(=O)O)cc1OC 22077363 LKCRYNLYBRUFDA-BQYQJAHWSA-N 436.258 3.582 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)c2ccccc2C(F)(F)F)cc1 22227371 RJMSWMPYDUCLGA-UHFFFAOYSA-N 428.476 3.708 0 40 IHAB CSc1ccccc1C(=O)Nc1c2c(nn1CC(=O)NCc1ccccc1)CSC2 23139518 YJXXUBNENNLEMU-UHFFFAOYSA-N 438.578 3.921 0 40 IHAB Cc1nc2sc([C@@H](c3ccco3)N3CCN(c4cccc(Cl)c4)CC3)c(O)n2n1 23158134 GTIVCMRNNXEBGP-QGZVFWFLSA-N 429.933 3.963 0 40 IHAB Cc1ccc(C)c2sc(NC(=O)CN(C)S(=O)(=O)c3ccc(Cl)s3)nc12 24553977 OAYWGPYLWZRZQG-UHFFFAOYSA-N 429.976 3.887 0 40 IHAB O=C(CSc1nc2ccccc2n1C(F)F)NCC1(N2CCOCC2)CCCCC1 25255615 CYYKZEUCAVDBKP-UHFFFAOYSA-N 438.544 3.675 0 40 IHAB CCN(CC)C(=O)CN(C)C(=O)/C=C/c1cn(Cc2ccccc2)nc1-c1ccccc1 27140568 HJVZHVCRYNLCQJ-WUKNDPDISA-N 430.552 3.938 0 40 IHAB CCOc1cc(Br)c(CC(=O)NCc2cn3ccccc3n2)cc1OCC 28834219 NGFOCCAUEWBCGI-UHFFFAOYSA-N 432.318 3.753 0 40 IHAB CCN1CCN(c2ccccc2NS(=O)(=O)c2ccc(C)cc2Br)CC1 29966121 YXDOEVJCELNDEO-UHFFFAOYSA-N 438.391 3.700 0 40 IHAB COc1ccc(NC(=O)CSc2nnc3c(n2)[nH]c2ccc(Cl)cc23)c(OC)c1 35290810 VZLVRZOWUYGYKO-UHFFFAOYSA-N 429.889 3.908 0 40 IHAB Cc1ccc(S(=O)(=O)c2c(C)cc(C)n(CC(=O)Nc3cc(C)cc(C)c3)c2=O)cc1 35396712 CINGTNBSKCWFNK-UHFFFAOYSA-N 438.549 3.862 0 40 IHAB O=S(=O)(Nc1cc(Cl)ccc1N1CCOCC1)c1ccccc1OC(F)(F)F 48303299 MLWDUDFSDMKELD-UHFFFAOYSA-N 436.839 3.876 0 40 IHAB O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1)c1ccc2nsnc2c1 57315751 MGTSUOVYNICCTC-UHFFFAOYSA-N 449.561 3.968 0 40 IHAB O=C(CNc1cccc(S(=O)(=O)N2CCCCCC2)c1)N1CCSc2ccccc21 57825568 SXSGUIXWEPDPDF-UHFFFAOYSA-N 445.610 3.802 0 40 IHAB COc1ccc(NC(=O)Cn2c(=O)cc(-c3nc(C(C)C)no3)c3ccccc32)cc1OC 67317727 SEFOCEHZWXLZSH-UHFFFAOYSA-N 448.479 3.831 0 40 IHAB Cc1ccccc1CN(Cc1ccccc1)CN1C(=O)C(=O)c2cc3c(cc21)OCCO3 72293263 YYWBSDGTXRBCAW-UHFFFAOYSA-N 428.488 3.955 0 40 IHAB O=C(c1cccnc1Oc1ccc(F)cc1Br)N1CC(OCC(F)F)C1 72311790 XXHSRWHQRYMPIE-UHFFFAOYSA-N 431.208 3.882 0 40 IHAB COc1ccc(C(=O)N2CCC[C@@H]2c2nc(N(C)C)ncc2-c2ccncc2C)c(OC)c1 72341477 COOYIXSYOYPIGG-OAQYLSRUSA-N 447.539 3.908 0 40 IHAB Nc1ncc(-c2cccc(C(F)(F)F)c2)c([C@H]2CCCCN2C(=O)CN2CCCC2)n1 72377100 ATOAKSXYYHSQPV-GOSISDBHSA-N 433.478 3.894 0 40 IHAB COc1cc(Cc2noc(-c3sc4nc(C)cc(C)c4c3N)n2)c(OC)c2c1OCO2 78549416 VUBXUEQRHKWGIR-UHFFFAOYSA-N 440.481 3.882 0 40 IHAB CCCC(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@@H]1c1ccc(OC)cc1OC 79112463 WUTAGKJWEZSZRZ-HXUWFJFHSA-N 445.541 3.553 0 40 IHAB Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)Cc3nnnn3Cc3ccccc3)cc2c1 84518509 GQLMOXOBIAVYHO-UHFFFAOYSA-N 440.507 3.667 0 40 IHAB Cc1ccc(C)c(NC(=O)[C@@H](C)SC(=S)N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)c1 113480979 IDYRLVHBJVAJJH-SQNIBIBYSA-N 441.622 3.930 0 40 IHAB CC[C@@H](C(=O)Nc1ccccc1OC)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 220755781 JCUGUGIXFALESA-HNNXBMFYSA-N 426.922 3.541 0 40 IHAB CCCCNS(=O)(=O)c1ccc(OCC(=O)N2c3ccccc3C[C@@H]2C)c(Cl)c1 222840908 WZPJXGCLDJAXNQ-HNNXBMFYSA-N 436.961 3.775 0 40 IHAB Cc1cccc(OCCNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)c1C 223929743 KXXSHHQYBJJZDY-UHFFFAOYSA-N 436.961 3.550 0 40 IHAB COC(=O)CN(c1ccc(F)c(F)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224628015 KHSWZCHYHXANPZ-UHFFFAOYSA-N 440.251 3.649 0 40 IHAB CS(=O)(=O)N(CCCC(=O)Nc1ccc(Cc2ccncc2)cc1)c1cccc(F)c1 224800354 PNNZTAACXIBWKL-UHFFFAOYSA-N 441.528 3.996 0 40 IHAB CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)s1 224973462 RPXSAVAUUAXZAR-UHFFFAOYSA-N 430.555 3.591 0 40 IHAB COCc1ccc(C(=O)N[C@@H]2CC(C)(C)Cc3nc(N4C[C@@H](C)O[C@H](C)C4)ncc32)cc1 247818503 CGXCVTWKPARADT-CBGDNZLLSA-N 438.572 3.680 0 40 IHAB CC[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1ccc(OC)c(C)c1 260890391 CZMXGTWTBHXZBO-RXVVDRJESA-N 448.560 3.811 0 40 IHAB CSc1cccc(N(CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)S(C)(=O)=O)c1 260937076 OSWLOMJIAOQDLA-MRXNPFEDSA-N 432.611 3.931 0 40 IHAB Cc1ccc(SCCNC(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 408546593 FMYFPPGHBRWDCO-HNNXBMFYSA-N 426.991 3.711 0 40 IHAB COc1cc(C(=S)N2C[C@H](C)O[C@H](C)C2)ccc1OCC(=O)Nc1ccc(C)cc1 409236784 HNPQUGAPJWRFDB-CALCHBBNSA-N 428.554 3.806 0 40 IHAB CCc1ccccc1NC(=O)CSc1nnc([C@@H](C)NC(=O)c2ccccc2C)n1C 409334179 VVKLJCWHZAANRM-MRXNPFEDSA-N 437.569 3.908 0 40 IHAB CN1CCN(c2cnn(-c3ccc(F)cc3F)c(=O)c2Cl)C[C@@H]1Cc1ccccc1 569719408 GNDOZVSSBBCYQM-KRWDZBQOSA-N 430.886 3.527 0 40 IHAB O=C(NCc1noc([C@@H]2CCC(=O)N2Cc2ccccc2F)n1)Nc1ccc(F)cc1 1775963784 CKLNPJUCCQZBQI-KRWDZBQOSA-N 427.411 3.533 0 40 IHAB biogenic,in-vitro O=C(N[C@H](c1ccccn1)[C@H]1CN(Cc2ccc(F)c(F)c2)CCO1)c1cccc(F)c1 2037834594 TZTWLZVWKYJAOC-DHIUTWEWSA-N 441.453 3.871 0 40 IHAB O=C(CSc1nc2ccccc2o1)Nc1ccc(S(=O)(=O)NC2CCCC2)cc1 883857 LMPBNQCTUWJCPO-UHFFFAOYSA-N 431.539 3.780 0 40 IHAB COc1ccc(-n2c(SCC(=O)Nc3nc(C)cs3)nnc2-c2cccnc2)cc1 1362402 IMKMCAJCTRYLOG-UHFFFAOYSA-N 438.538 3.834 0 40 IHAB COc1ccc2cc(CN(CCCN(C)C)C(=S)Nc3cccc(C)c3)c(=O)[nH]c2c1 6442348 GMTXSQXTUOQWRV-UHFFFAOYSA-N 438.597 3.996 0 40 IHAB CCc1nnc2sc(-c3ccc(OC)c(NC(=O)c4ccc(OC)cc4OC)c3)nn12 10010225 GDUUZXOUUFSUSX-UHFFFAOYSA-N 439.497 3.693 0 40 IHAB COc1ccc(Br)cc1CN(C)C(=O)[C@H](C(C)C)N1C[C@@H](C)O[C@H](C)C1 58130838 KFCRDOJWKYRVPL-CLCXKQKWSA-N 427.383 3.550 0 40 IHAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3ccc(C(=O)O)cc3)C2=O)cc1 102760487 OQASDXQACGOCDP-FDFHNCONSA-N 428.444 3.744 0 40 IHAB Cc1nccn1-c1ccc(CNC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)cc1 20489732 VLCQKYQRGQNSFN-UHFFFAOYSA-N 446.532 3.912 0 40 IHAB CN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 20490595 ABLJFRIJXULQAA-OAQYLSRUSA-N 449.016 3.973 0 40 IHAB CCOc1ccc(N(CC(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)S(C)(=O)=O)cc1 22333368 SIPMFVPXERAWHI-FQEVSTJZSA-N 446.569 3.578 0 40 IHAB O=C(COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)NCCC1=CCCCC1 3286733 YAQGVYROVLAYHA-UHFFFAOYSA-N 432.476 3.651 0 40 IHAB C[C@H](NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 102366119 BEIZABVBAPSJGG-WCLQXYBISA-N 434.583 3.590 0 40 IHAB COC(=O)c1ccc2nc(NC(=O)c3ccc(I)cc3)sc2c1 20412293 RMTVAALURXOCCE-UHFFFAOYSA-N 438.246 3.940 0 40 IHAB COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CC(C)C)CC(=O)N32)c(OC)c1 2153181 CNTURQDTTYMYSJ-OFVILXPXSA-N 447.535 3.526 0 40 IHAB biogenic O=C(NCc1ccccc1F)[C@@H]1CS[C@]2(c3ccc(Br)cc3)CCC(=O)N12 12748908 FFIUCHCCYUAVLB-PXNSSMCTSA-N 449.345 3.795 0 40 IHAB CC(C)[C@@H](C(=O)NCc1ccccc1)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 12874510 HPMSDLIXPJDNJF-LVXARBLLSA-N 444.535 3.544 0 40 IHAB biogenic COc1ccc(CCNC(=O)[C@H](C)NC(=O)c2cc3c([nH]c4ccccc43)c(C)n2)cc1 12881658 ZYDDHXVZLSGMMM-INIZCTEOSA-N 430.508 3.510 0 40 IHAB biogenic Cc1cc(NC(=O)CSc2nc3cc(Cl)ccc3c(=O)n2Cc2ccco2)no1 3447706 IBQOSUPAYTVSQE-UHFFFAOYSA-N 430.873 3.718 0 40 IHAB CCOc1ccccc1NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2Cl)C1=O 3595146 YXTHGYMFCOUBLI-FQEVSTJZSA-N 436.295 3.798 0 40 IHAB O=C(C1CCN(S(=O)(=O)c2ccccc2F)CC1)N(Cc1ccccc1F)C1CC1 12997553 XPITWSHNCUGVMI-UHFFFAOYSA-N 434.508 3.557 0 40 IHAB O=C(CN1C(=O)S/C(=C\c2ccccc2Sc2ccccc2)C1=O)N1CCOCC1 409129305 JGWZBOCINNKPLQ-RGEXLXHISA-N 440.546 3.733 0 40 IHAB COc1cc(NC(=O)CN2CCC[C@H](C(=O)Nc3ccccc3)C2)c(OC)cc1Cl 12907022 MAJLDAMEPJBRNB-HNNXBMFYSA-N 431.920 3.646 0 40 IHAB CN(Cc1ccsc1)C(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 13014533 VACBENZCRPRZEI-UHFFFAOYSA-N 428.579 3.961 0 40 IHAB Cc1sc2nc(CN3CCOCC3)nc(Sc3nnc(-c4cccnc4)o3)c2c1C 13163675 IJHURFXTIKBEAG-UHFFFAOYSA-N 440.554 3.737 0 40 IHAB COc1ccc(NC(=O)c2ccc(NC(=O)COC(=O)c3cccc(C)c3O)cc2)cc1 13100519 MWVMQROPQJQQIK-UHFFFAOYSA-N 434.448 3.757 0 40 IHAB O=C(CNC(=O)c1ccco1)O[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 20789699 QBJZFUXBTBELSM-IBGZPJMESA-N 446.381 3.951 0 40 IHAB C[C@H]1CN(c2ccc(C(=O)Nc3ccc(C(=O)Nc4cccnc4)cc3)cn2)C[C@H](C)O1 24910222 PVDQSODYZVEVAY-IRXDYDNUSA-N 431.496 3.595 0 40 IHAB Cc1ccc2c(COC(=O)C3(S(=O)(=O)c4ccccc4)CCCC3)cc(=O)oc2c1 14365593 FUOGAMQZTGIYDK-UHFFFAOYSA-N 426.490 3.931 0 40 IHAB COc1cc(C(=S)N2CCOCC2)ccc1OCC(=O)Nc1cc(Cl)ccc1C 409230338 CBRXKOQSLWJTOF-UHFFFAOYSA-N 434.945 3.682 0 40 IHAB COc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2cccc(Cl)c2C)cc1 9236784 XKNYSKAAZPANQM-ROUUACIJSA-N 429.933 3.955 0 40 IHAB COc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(C)n(CC(F)(F)F)c2C)cc1OC 16406435 XDSNENLHEZBCRK-ZDUSSCGKSA-N 428.407 3.868 0 40 IHAB CCOc1ccc(C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2OCCOC)cc1 9883351 LWDIYQXCMUCHTO-UHFFFAOYSA-N 441.402 3.925 0 40 IHAB COc1ccc(N2C[C@@H](C(=O)N[C@H](C)c3cccc(C(F)(F)F)c3)CC2=O)c(OC)c1 9885477 DSDPXVDQLAXLPP-HIFRSBDPSA-N 436.430 3.953 0 40 IHAB CCCOc1ccc(OCC(=O)NC2CCN(Cc3ccc(OC)c(F)c3)CC2)cc1 95365188 JLWIFZOSPPEMTP-UHFFFAOYSA-N 430.520 3.783 0 40 IHAB COc1cc(/C=C/C(=O)N[C@@H](CC(=O)O)c2ccc(Cl)s2)cc(OC)c1OC 95463982 IWIGCAYXZDCNIG-NTYUQYKDSA-N 425.890 3.773 0 40 IHAB COc1cc(CCC(=O)N2CCCc3c(NC(C)=O)ccc(C)c32)cc(OC)c1OC 95997624 ABSVVWAFWBUCTA-UHFFFAOYSA-N 426.513 3.891 0 40 IHAB CC(C)(C)OC(=O)[C@H]1CCCN1C(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 79016094 ZDJYBTNPQCUXNT-LJQANCHMSA-N 448.516 3.573 0 40 IHAB COc1cc2c(cc1/C=C1/SC(=O)N(CC(=O)Nc3ccccc3Cl)C1=O)OCO2 409245681 XLZGYFZKNDWDTM-REZTVBANSA-N 446.868 3.752 0 40 IHAB COc1ccc(-c2ccc3c([C@@H]4CN(C(=O)c5ccc(C)cc5)CCO4)nnn3c2)cc1 306134136 NECSFMBDWXDLNC-QHCPKHFHSA-N 428.492 3.927 0 40 IHAB O=C(Cc1cccc(Br)c1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 72068346 HYNZDTLXSIZGOX-UHFFFAOYSA-N 437.359 3.805 0 40 IHAB Cc1ccc([C@@H]2CCCCCN2C(=O)NCc2cccc(C(=O)N3CCOCC3)c2)o1 547427976 QEUGWUKBCNBPNG-NRFANRHFSA-N 425.529 3.887 0 40 IHAB C[C@H](Cc1cccs1)N(Cc1ccccc1)C(=O)CN1C(=O)NC2(CCCCC2)C1=O 32988547 OSBOXJXIUVFMGU-GOSISDBHSA-N 439.581 3.963 0 40 IHAB CCOc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 409061510 DTQUMWMTHSBCQE-VIXBWKJWSA-O 448.930 3.755 0 40 IHAB CCn1cc(S(=O)(=O)N2CCC[C@@H]2c2cccc(Nc3nc(C)cs3)n2)c(C)n1 72375593 ZTXSREBQXZYJEK-MRXNPFEDSA-N 432.575 3.641 0 40 IHAB Cc1ccc2nc(C(=O)N3CCC(C(=O)c4ccc5c(c4)NC(=O)[C@H](C)O5)CC3)ccc2c1 559490103 CENWLPMZLGJJAT-INIZCTEOSA-N 443.503 3.998 0 40 IHAB O=C(Nc1ccc(N2CCCCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 71804564 XWEAIJQZHPPVJH-SFHVURJKSA-N 445.560 3.855 0 40 IHAB COCCCNC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 30941874 SOMMHUZHFLFPDV-LJQANCHMSA-N 443.975 3.957 0 40 IHAB Cc1nc2c(c(=O)[nH]1)C[C@H]1CC[C@@H](C2)N1C(=O)C[C@]1(Cc2ccccc2)CCOC(C)(C)C1 72373137 AIFNHELYYMAJTM-PBDKAQRYSA-N 449.595 3.745 0 40 IHAB CC[C@H](C(=O)NCCCc1cccc(OC)c1)N(c1cccc(Cl)c1)S(C)(=O)=O 219092281 AISJWSHEFYVMRH-HXUWFJFHSA-N 438.977 3.642 0 40 IHAB O=C(c1ccccc1)c1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 225513399 MSXRVYJDIUYKJK-FQEVSTJZSA-N 448.544 3.957 0 40 IHAB COc1cccc(OC)c1CNC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1 224494437 FJSVAHKEQDCZBK-UHFFFAOYSA-N 446.550 3.520 0 40 IHAB COc1ccc(-c2noc(CNC(=O)COc3ccccc3C(C)(C)C)n2)c(OC)c1 222802558 JOVHQQZYGPTASS-UHFFFAOYSA-N 425.485 3.747 0 40 IHAB CSc1ccc(S(=O)(=O)NCCOc2cc(C)cc(C)c2)cc1NC(=O)C(C)C 224112033 SYYHLZLOJJVQJN-UHFFFAOYSA-N 436.599 3.977 0 40 IHAB CC[C@H](NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1)c1ccc(OC)c(OC)c1 222591894 FIWIQPNWMAJSKL-IBGZPJMESA-N 432.542 3.515 0 40 IHAB O=C(NCCSC1CCCC1)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 222577626 VTKAASAGEGSGNL-QGZVFWFLSA-N 445.050 3.674 0 40 IHAB CN(C(=O)c1c[nH]nc1[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)C1CCCCC1 257295708 QZNUJMKMBUQYHU-HXUWFJFHSA-N 448.564 3.869 0 40 IHAB COc1ccc(C)cc1N([C@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2)S(C)(=O)=O 260937200 POIUBFKYZZWHAH-DLBZAZTESA-N 430.570 3.524 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](C)COc3ccc(C)c(C)c3)C2)cc1 260890378 CVUBMZYKFVHIFE-RTWAWAEBSA-N 444.597 3.596 0 40 IHAB O=C(NCc1cn(C2CC2)c(=O)nc1O)c1cnc(-c2c(Cl)cccc2Cl)s1 1153489080 NSEFMDDXDUWYQA-UHFFFAOYSA-N 437.308 3.644 0 40 IHAB CCCS(=O)(=O)N1CCCc2cc(NC(=O)c3cc4ccc(OC)cc4[nH]3)ccc21 96098395 GUOAASSYTBGWKQ-UHFFFAOYSA-N 427.526 3.921 0 40 IHAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CC2(CC(=O)N(Cc3ccccc3)O2)C1 1549166218 BORKCTAGUTWOHV-UHFFFAOYSA-N 437.883 3.862 0 40 IHAB CCc1cccc(CC)c1NC(=O)CSc1nc2ccccc2c(=O)n1CCOC 5042574 JZKPAKRGLIGYMB-UHFFFAOYSA-N 425.554 3.899 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](C)c3cccc(Cl)c3)C2)s1 12982278 JSRYQVQCNDXVJJ-GOEBONIOSA-N 426.991 3.988 0 40 IHAB CCOc1ccc(-c2nnc(N(CCOC)C(=O)Cc3ccccc3OC)s2)cc1 13563272 BYMLTSDORQVZON-UHFFFAOYSA-N 427.526 3.835 0 40 IHAB Cc1cccc(CCCNC(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)c1 13675812 XRQJYFGZOXWGMK-UHFFFAOYSA-N 429.369 3.817 0 40 IHAB CCOc1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)cc1 13676218 QQKWKIQDEZIYRU-UHFFFAOYSA-N 436.961 3.843 0 40 IHAB Cc1ccccc1N(CC(=O)Nc1ccc(Br)c(Cl)c1)S(C)(=O)=O 14411565 QWHURPKQOXRXJW-UHFFFAOYSA-N 431.739 3.816 0 40 IHAB O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccc(C(F)(F)F)cc1 16401177 WFRTWOFUJXJGFJ-UHFFFAOYSA-N 442.459 3.898 0 40 IHAB CCCN1CCN(C(=O)c2cc[nH]n2)C[C@H](Cc2ccccc2-c2ccccc2OC)C1=O 19503240 ZYVHUQVXFSBIJE-FQEVSTJZSA-N 446.551 3.639 0 40 IHAB CCCn1nc(C)cc1NC(=O)CCC(=O)N[C@H]1CC2(CCOCC2)Oc2ccccc21 19525966 FHAFENIVSSJTNF-IBGZPJMESA-N 440.544 3.509 0 40 IHAB COc1ccccc1CN1CCN(c2ncc(-c3cnccn3)c(-c3cccs3)n2)CC1 19570508 ILGULIJYMPDGGN-UHFFFAOYSA-N 444.564 3.993 0 40 IHAB CN(C)C(=O)c1sc2ncccc2c1[C@H]1CN(Cc2c[nH]nc2C(C)(C)C)CCO1 19703188 JWOQCZNCGIIUEP-MRXNPFEDSA-N 427.574 3.592 0 40 IHAB CNc1nc([C@H]2CCCCN2C(=O)CC2CC(C)(C)NC(C)(C)C2)nc2c1CCN(C)C2 19708671 VIEGKRPHYOQAMZ-HXUWFJFHSA-N 442.652 3.507 0 40 IHAB CCN(CC(=O)NCc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(OC)c(C)c1 19929607 BNHWJJGIZKUNIF-UHFFFAOYSA-N 445.368 3.637 0 40 IHAB COc1cc(CN2CCCC[C@@H]2c2cc3nc(C)c(C)c(O)n3n2)cc(OC)c1OC 100146631 KXZNSWJQDRQRTQ-GOSISDBHSA-N 426.517 3.805 0 40 IHAB CC[C@@H](Oc1ccccc1OC)C(=O)N1CCC(c2nc3ccccc3cc2C(N)=O)CC1 12241539 VBZIXVNARSPFFM-OAQYLSRUSA-N 447.535 3.906 0 40 IHAB CC(C)c1cc(C(C)C)c(S(=O)(=O)N2CCC(N3C(=O)CNC3=O)CC2)c(C(C)C)c1 245187639 ZRSGYAYEYBVRIT-UHFFFAOYSA-N 449.617 3.762 0 40 IHAB Cc1cc(C)c(S(=O)(=O)Nc2ccc(Cl)c(N3CCCS3(=O)=O)c2)c(C)c1 9569133 NNCKLWCBHSEHTG-UHFFFAOYSA-N 428.963 3.606 0 40 IHAB Cc1nc2cc(NC(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)ccc2s1 10337402 DNAASOWAVATUQG-UHFFFAOYSA-N 433.530 3.783 0 40 IHAB CCCCS(=O)(=O)CCc1nnc(NC(=O)Nc2cccc(C(F)(F)F)c2)s1 13756287 SMYQPRZUROECSG-UHFFFAOYSA-N 436.481 3.958 0 40 IHAB COc1ccc(OC)c(Nc2nc(CC(=O)Nc3ccc4c(c3)OCCO4)cs2)c1 16850254 DKFXFOPINTXGRZ-UHFFFAOYSA-N 427.482 3.856 0 40 IHAB Cc1c(Cl)cccc1NC(=O)C(=O)NCCCCN1CCO[C@@H](c2ccccc2)C1 16991308 ARHWQJMKBDQQEQ-OAQYLSRUSA-N 429.948 3.557 0 40 IHAB O=C(c1ccnc(C(F)(F)F)c1)N1CCC2(CCCN(Cc3ccncc3)C2=O)CC1 2055793241 DWWLXMNJOPGFIY-UHFFFAOYSA-N 432.446 3.540 0 40 IHAB O=C(NCc1ccccc1F)c1ccc2c(O)nc3c(-c4cccc(F)c4)nnn3c2c1 21867655 GLXASOYFHUNRIE-UHFFFAOYSA-N 431.402 3.858 0 40 IHAB CCc1nnc2ccc(S(=O)(=O)N(Cc3cccc(F)c3)c3ccc(OC)cc3)cn12 49408348 OCWUVWCUIXKMAG-UHFFFAOYSA-N 440.500 3.835 0 40 IHAB O=C(Nc1ccccc1-c1cn2c(n1)CCCC2)c1cnc(O)n(-c2ccc(F)cc2)c1=O 575620116 ODQWBAMPSAKMAH-UHFFFAOYSA-N 445.454 3.529 0 40 IHAB CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)CCN1CCN(C)CC1 22466123 YWTGVJPWCBUVPL-UHFFFAOYSA-N 429.586 3.785 0 40 IHAB CCOc1ccc(/C=c2\sc3nc(-c4ccc(Cl)cc4)nn3c2=O)cc1OCC 2195113 NTDMTOCNWFQXKH-PDGQHHTCSA-N 427.913 3.817 0 40 IHAB COc1ccccc1N1C(=O)[C@@H]2C(C(=O)c3ccccc3)=NN(c3ccc(C)cc3)[C@@H]2C1=O 100487410 GMEACKGFWFQHFV-GGAORHGYSA-N 439.471 3.621 0 40 IHAB Cc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)cc1C 101039356 WUERUYXEXOPARX-DHNNRRLOSA-N 429.472 3.655 0 40 IHAB Cc1cccc(N2C(=O)CS[C@]23C(=O)N(CC(=O)Nc2ccccc2)c2ccccc23)c1 20573909 PXYCTXJRAISJPF-RUZDIDTESA-N 443.528 3.913 0 40 IHAB Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NCc4cn(C)nc4C)c3N2)cc1 647155 XUVGWVCFQXCKRE-ROUUACIJSA-N 432.450 3.824 0 40 IHAB O=C(COc1ccc2ccccc2c1Br)NC(=S)Nc1cccc(CO)c1 675718 NXAUFCFMFZUBMQ-UHFFFAOYSA-N 445.338 3.987 0 40 IHAB COc1ccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1OC 871599 PYTPFPRFVGZRFN-UHFFFAOYSA-N 440.521 3.533 0 40 IHAB COc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nncs2)cc1OC 2407577 OFXIJHAFXDOPAM-GOSISDBHSA-N 435.461 3.720 0 40 IHAB CCNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCCCC3 3425953 KHZFKMPOCAPSFL-UHFFFAOYSA-N 443.594 3.953 0 40 IHAB Cc1oc2cc(OCC(=O)NC[C@H](O)c3ccccc3)ccc2c(=O)c1-c1ccccc1 8765107 AUIGEIJKGQDLJL-QFIPXVFZSA-N 429.472 3.997 0 40 IHAB biogenic COc1ccc(OCc2nnc(SCC(=O)Nc3ccc(OC(F)F)cc3)o2)cc1 8871574 KMEORVVSOVESBR-UHFFFAOYSA-N 437.424 3.989 0 40 IHAB O=C(Cn1c2ccccc2c2nc3n(c(=O)c21)CCCS3)NCCCc1ccccc1 8995754 BGTKXJVXXZAOFL-UHFFFAOYSA-N 432.549 3.596 0 40 IHAB CC(=O)Nc1ccc2nc(NC(=O)CSc3nnc(-c4ccccc4)n3C)sc2c1 9189645 HXOLAYHPJHKGEB-UHFFFAOYSA-N 438.538 3.781 0 40 IHAB CCNc1ccc(S(=O)(=O)N(CC)CC)cc1NCC(=O)Nc1ccccc1Cl 9218731 BEPNITOJUIURIZ-UHFFFAOYSA-N 438.981 3.853 0 40 IHAB Cc1nc(Cc2nnc(SCC(=O)Nc3c(C)nn(-c4ccccc4)c3C)o2)cs1 9244448 WVTNJPLDSHYMPP-UHFFFAOYSA-N 440.554 3.959 0 40 IHAB COC(=O)N1CCc2c(sc(NC(=O)c3cc(Cl)sc3Cl)c2C(N)=O)C1 9325313 RDOICLIACHSBSP-UHFFFAOYSA-N 434.326 3.592 0 40 IHAB COC(=O)c1ccccc1S[C@@H]1CC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O 9341304 GTKRYCSMJFASSH-OAHLLOKOSA-N 425.384 3.796 0 40 IHAB O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)Nc1ccccc1N1CCOCC1 9368141 MQPYZCUOTVVAGH-UHFFFAOYSA-N 449.580 3.771 0 40 IHAB CCCn1c(S[C@@H](C(=O)NC(=O)NC)c2ccccc2)nc2sc(CC)cc2c1=O 9508591 AMENOTFOKIAHII-MRXNPFEDSA-N 444.582 3.719 0 40 IHAB O=S(=O)(Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1)c1ccc2ccccc2c1 9714622 DRMVWZXPYSCQTQ-UHFFFAOYSA-N 446.532 3.934 0 40 IHAB C[C@@H](NC(=O)CN1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)c1cc2ccccc2o1 9745004 IOARQVPQIYDATE-MRXNPFEDSA-N 449.507 3.689 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCCC2)Cc2ccco2)cc1 9873024 OQAPYINUVJPKBW-UHFFFAOYSA-N 434.558 3.708 0 40 IHAB C[C@@H](NC(=O)CCCc1nnc2c(=O)n(-c3ccc(Cl)cc3)ccn12)c1ccccc1 10273469 ACHCOPNAYPLAMK-MRXNPFEDSA-N 435.915 3.734 0 40 IHAB Cc1cc(OCC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c2c3c(c(=O)oc2c1)CCCC3 11866952 SCAYQZCNHCNDIC-SSOJOUAXSA-N 425.525 3.513 0 40 IHAB biogenic COc1ccccc1CC(=O)N1CCC(c2nc3cc(OC)c(OC)cc3cc2N)CC1 12087939 ZEBDMCQYPOIZNP-UHFFFAOYSA-N 435.524 3.792 0 40 IHAB COc1ccc(C2(O)CCN(c3nc(C)nc4c3CN(Cc3ccccc3)CC4)CC2)cc1 12183304 UMYPQYIZXAXWJX-UHFFFAOYSA-N 444.579 3.840 0 40 IHAB CCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)c1C 12905620 UAMONVOTZIDRGL-UHFFFAOYSA-N 428.514 3.507 0 40 IHAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)c1cc(C2CC2)nc2ccccc12 12908539 YGSBIFQFEQSPMO-MRXNPFEDSA-N 442.519 3.948 0 40 IHAB O=C(Cc1cccc(F)c1)N1CCC(c2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 13566083 AGWBRBFQTHJGQR-UHFFFAOYSA-N 425.529 3.951 0 40 IHAB O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)NCc1ccc2c(c1)OCO2 13681845 OSKZUAXELWWCIQ-UHFFFAOYSA-N 445.427 3.590 0 40 IHAB biogenic CCOc1ccccc1C(=O)Nc1nnc([C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)s1 13944341 XTFQXGKDKYTAHN-CQSZACIVSA-N 438.509 3.718 0 40 IHAB Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)n1 17012266 QFVDNOUTRLIBOC-UHFFFAOYSA-N 444.377 3.500 0 40 IHAB COc1ccc2c(COC(=O)Cc3cc(Cl)c4c(c3)OCCCO4)cc(=O)oc2c1 17257056 DDAMCLBVVZQTSY-UHFFFAOYSA-N 430.840 3.902 0 40 IHAB Cc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@@H](O)c3ccc4c(c3)OCCCO4)CC1)O2 19219287 CDRIOIPMAHWFRW-NHCUHLMSSA-N 425.525 3.540 0 40 IHAB O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)N[C@@H]1CCN(Cc2ccccc2)C1 19317254 NZFIJMBHFYGWFP-GOSISDBHSA-N 427.961 3.608 0 40 IHAB COc1ccccc1C(=O)N1CCNC(=O)[C@H](Cc2cccc(-c3ccc(F)cc3)c2)C1 19568809 RCCYIRVSJHNKQR-OAQYLSRUSA-N 432.495 3.932 0 40 IHAB CN(C)C(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CCCN(C(=O)c2cccnc2)C1 19579370 PEAJKZJREKXVKU-AREMUKBSSA-N 428.536 3.697 0 40 IHAB COc1ccc(C(=O)N2CC[C@](Cc3ccc(-c4cccs4)cc3)(C(=O)N(C)C)C2)cn1 19580100 HKVUXCBUOVYRTP-RUZDIDTESA-N 449.576 3.982 0 40 IHAB CNC(=O)[C@@]1(Cc2cc(-c3ccccc3C)no2)CCN(C(=O)CCc2ccccc2F)C1 19703574 JWHSSBUDESBUCL-AREMUKBSSA-N 449.526 3.929 0 40 IHAB CCOc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)c1 20105889 SUOVSAHAECILDS-FQEVSTJZSA-N 430.570 3.698 0 40 IHAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 21346931 LVOYHNIIRSEGPU-HXUWFJFHSA-N 427.504 3.917 0 40 IHAB O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 21468910 GAMOXCSMYPIYIX-HNNXBMFYSA-N 442.821 3.655 0 40 IHAB O=C(NC[C@H](c1ccsc1)N1CCc2ccccc2C1)C(=O)Nc1ccc(F)cc1F 22766766 UCGXEQUDGCNBOR-OAQYLSRUSA-N 441.503 3.881 0 40 IHAB CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)N[C@@H](C)c2cccc(Cl)c2)cc1 23184836 FZNBGOPVUFIHLF-HNNXBMFYSA-N 436.961 3.821 0 40 IHAB COc1ccc(C(=O)COC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)cc1F 24705504 GINRPNVLUQIFOP-UHFFFAOYSA-N 446.434 3.632 0 40 IHAB COc1ccc(-c2nnc(SCC(=O)N[C@H](C)c3ccco3)n2C[C@@H]2CCCO2)cc1 27205057 GCBBYLMOTGNINC-QAPCUYQASA-N 442.541 3.695 0 40 IHAB CC(=O)c1ccc(N2CCN(Cc3cc4c(cc3Br)OCCO4)CC2)c(F)c1 29633068 CUQHWHBUWUXBOA-UHFFFAOYSA-N 449.320 3.884 0 40 IHAB Cc1cc(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)c(C)s1 32717120 LTNCYPNZYDDYMZ-UHFFFAOYSA-N 428.601 3.730 0 40 IHAB CCOC(=O)C1=C(CSc2nccn2-c2ccccc2)NC(=O)N[C@H]1c1ccc(C)o1 32754878 VBMZEBTUOGIQBB-IBGZPJMESA-N 438.509 3.737 0 40 IHAB O=C(NCc1cccc(CN2CCOCC2)c1)C1CCN(Cc2cccc(Cl)c2)CC1 38831289 RMGONQXPAVSUMQ-UHFFFAOYSA-N 442.003 3.701 0 40 IHAB CCOC(=O)c1ccc(S(=O)(=O)Oc2ccccc2OCC)c(Br)c1 40061659 DWMPRVAHBFITBZ-UHFFFAOYSA-N 429.288 3.792 0 40 IHAB CC[C@@](C)(CNC(=O)Nc1ccc(F)c(NC(=O)c2ccoc2C)c1)N1CCOCC1 40105586 FDWACESIDNXZPH-QFIPXVFZSA-N 432.496 3.602 0 40 IHAB Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 40128734 ZMKKFBKGHPVAGC-UHFFFAOYSA-N 429.402 3.859 0 40 IHAB CSc1ccccc1CN1CCC(CNC(=O)C(=O)NCCC2=CCCCC2)CC1 43942553 PRPUPZKQTYRIHA-UHFFFAOYSA-N 429.630 3.743 0 40 IHAB O=C(CSCc1ccccc1)N1CCN(c2ccc(-c3noc(C4CC4)n3)cn2)CC1 44095887 OOMRAORLNRJQFR-UHFFFAOYSA-N 435.553 3.591 0 40 IHAB CC1CCN([C@H](CNC(=O)CCc2nc(-c3ccccn3)no2)c2cccs2)CC1 48287493 BBUGPSWPQDNSFK-GOSISDBHSA-N 425.558 3.715 0 40 IHAB COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@@H]2CCCN2[C@]12C(=O)Nc1ccc(F)cc12 57142623 IYERFPXIFJOEGP-PGKMIFDNSA-N 429.879 3.758 0 40 IHAB C[C@@H]1CCC[C@H](N(CC(=O)Nc2ccc(C(N)=O)cc2)Cc2ccc3c(c2)OCO3)[C@@H]1C 58192817 ZFEVUIHAYNXJLX-LZJOCLMNSA-N 437.540 3.780 0 40 IHAB CC(=O)c1ccc(-n2c(C)cn(C[C@H](O)COc3ccc(Cl)cc3Cl)c2=O)cc1 58310852 OGSGXDVJXRJXAD-SFHVURJKSA-N 435.307 3.897 0 40 IHAB O=C(Cn1c(C(F)(F)F)nc2cc3c(cc21)OCCO3)Nc1ccc2c(c1)OCCCO2 64814348 NMVAYIVSGVJLTL-UHFFFAOYSA-N 449.385 3.626 0 40 IHAB C[C@H]1CN(C(C)(C)CNC(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)C[C@H](C)O1 69979770 JSNJXZZIQASQMR-IRXDYDNUSA-N 439.585 3.613 0 40 IHAB CCCN1CCN([C@H](C)CCCN(C(=O)[C@H]2CCCN(c3nccs3)C2)C2CC2)CC1 72305494 NOJYUJDIGHHQLA-RTWAWAEBSA-N 447.693 3.547 0 40 IHAB O=C1NCCN(C(=O)c2csc3c2CCCC3)[C@@H]1Cc1ccc(-c2cccnc2)cc1 72351867 RSDPJGQZWGRLEL-JOCHJYFZSA-N 431.561 3.872 0 40 IHAB CN(CCCOc1cccc(S(C)(=O)=O)c1)C[C@@H]1CO[C@H](c2ccc(Cl)cc2)O1 95448106 AHIFEZGNBDOXHT-CTNGQTDRSA-N 439.961 3.558 0 40 IHAB COc1ccc(CC(=O)N2CCC3(CC2)c2ncc(-c4ccccc4)n2CCN3C)cc1 96144957 RRZYKCUROHULJE-UHFFFAOYSA-N 430.552 3.565 0 40 IHAB Cc1ccc(N2C(=O)/C(=C\Nc3ccc(S(N)(=O)=O)cc3)c3ccccc3C2=O)c(C)c1 96634928 BISQMZQDXJYUPZ-STZFKDTASA-N 447.516 3.591 0 40 IHAB COc1ccc(CN2C(=O)/C(=C/c3ccc(-n4cncn4)cc3)c3ccccc3C2=O)cc1 96947648 HMOBVCRJAMHFAX-ZVHZXABRSA-N 436.471 3.999 0 40 IHAB O=C(Nc1ccccc1Br)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 219748230 UGYONLSUNOYSHO-INIZCTEOSA-N 443.750 3.894 0 40 IHAB CC[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)N(c1ccc(OC)cc1)S(C)(=O)=O 222987093 AIYRSZLNYVSKMP-GAJHUEQPSA-N 444.597 3.996 0 40 IHAB COc1ccc(CN(C(=O)Cc2ccccc2)[C@H](C)C(=O)NCCCOC(C)C)cc1 222990794 WGWGDGRPBIYVTO-HXUWFJFHSA-N 426.557 3.586 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)c2ccccc2)cc1OC 223264548 IHQLQZGWYXRUMY-UHFFFAOYSA-N 438.505 3.708 0 40 IHAB Cc1ccc(CN(c2ccc(C(=O)NCCOc3ccccc3)cc2)S(C)(=O)=O)cc1 223826160 PBAYCKAHDJMGAQ-UHFFFAOYSA-N 438.549 3.770 0 40 IHAB COc1cccc(OC)c1CNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 224082167 PDAHGVBMGIDZDK-UHFFFAOYSA-N 440.521 3.743 0 40 IHAB COc1cccc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(C)cc3)cc2)c1 224570467 ZYPYYAVKQRROTF-UHFFFAOYSA-N 426.494 3.822 0 40 IHAB COC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccc(OC)cc1 224864532 SMPLZWITEZNMMV-UHFFFAOYSA-N 437.823 3.736 0 40 IHAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1OC 225642624 XYUQAGKDFSSPKN-FXAWDEMLSA-N 430.520 3.935 0 40 IHAB COC(=O)CSc1nnc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)s1 225642633 ZHQIRWDXXRUURS-UHFFFAOYSA-N 438.383 3.982 0 40 IHAB CCCSc1nnc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3CCC)s1 225736542 YTLYWPFXQYZBNW-UHFFFAOYSA-N 430.602 3.627 0 40 IHAB COc1ccc(CNC(=O)CN2CCC[C@@](O)(COc3cc(C)ccc3Cl)CC2)cc1 257261937 LJJLVYJJHLWSGC-DEOSSOPVSA-N 446.975 3.569 0 40 IHAB O=C(NC1CCCC1)c1cc([C@@H]2CCCCN2C(=O)c2cccc(Cn3cccn3)c2)n[nH]1 257289495 PYXAHXNHKLNOFF-QHCPKHFHSA-N 446.555 3.694 0 40 IHAB O=C([C@@H]1Cc2cc(Cl)ccc2O1)N1CCC(c2cncc(Nc3ccccn3)n2)CC1 257316236 VESZGRSXFYIMIG-FQEVSTJZSA-N 435.915 3.978 0 40 IHAB Cc1cc(Nc2ccc(F)cn2)cc(C2CCN(C(=O)[C@@H]3CC(=O)OC3(C)C)CC2)n1 257325264 WSEIMVPGDFLVOI-SFHVURJKSA-N 426.492 3.715 0 40 IHAB COc1ccc(CCNS(=O)(=O)c2ccc(C)c(C(=O)NC3CCCCC3)c2)cc1 408553941 AFUFFGRVNBLXBM-UHFFFAOYSA-N 430.570 3.587 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1NC(=O)c1ccccc1 408557193 LZGBXTFCOQADSC-UHFFFAOYSA-N 440.477 3.520 0 40 IHAB Cc1cc(Br)ccc1NCc1cc(Br)ccc1OCC(N)=O 408604719 FNIBFKOAVUEWIS-UHFFFAOYSA-N 428.124 3.996 0 40 IHAB CCc1ccccc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@@H]3CC=C[C@@H](C)[C@H]3C2=O)cc1 408662118 MWSHROCVOYHJKN-AYPBNUJASA-N 446.503 3.746 0 40 IHAB CCc1cccc(CC)c1N1C[C@H](C(=O)Oc2cccc(N3C(=O)CCCC3=O)c2)CC1=O 408674032 YFGFJYDOARQRHZ-LJQANCHMSA-N 448.519 3.813 0 40 IHAB O=C1[C@@H]2[C@H](C(=O)N1C[C@H]1CCCO1)C1c3ccccc3C2(Br)c2ccccc21 409197843 QACYZEKEIIYUII-CIXHBQHHSA-N 438.321 3.564 0 40 IHAB CNC(=O)c1cccc([C@H]2CN(C(=O)C(c3ccccc3)c3ccccc3)CCN2C)c1 585261775 JLUNGAAHNGKQSW-XMMPIXPASA-N 427.548 3.693 0 40 IHAB CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCC(c2cccc(Nc3ncc(C)s3)n2)CC1 585262668 QLQFFVXRSWXXLL-MSOLQXFVSA-N 441.601 3.849 0 40 IHAB CN(CC(=O)N1CCC[C@@]2(CCCCCOc3ccccc3C(=O)NC2)C1)C1CCCC1 643559645 WOFPGNRSRRZREN-AREMUKBSSA-N 441.616 3.852 0 40 IHAB CCOc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(OC)c(OC)c1 641236 VDSRKDUHUNCBTR-FQEVSTJZSA-N 427.526 3.534 0 40 IHAB Cc1ccc(N(C(=O)c2csnn2)[C@@H](C(=O)NC2CCCC2)c2ccccn2)c(C)c1 1357386 DUARZLAWFRGWTM-OAQYLSRUSA-N 435.553 3.997 0 40 IHAB Cc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)c3ccc(F)cc3)n2)cc1 1372788 JCMLUCPXXSBRIC-UHFFFAOYSA-N 430.443 3.679 0 40 IHAB CCCOC(=O)c1ccc(CN2C(=O)C(Cl)=C(Nc3ccc(C)c(O)c3)C2=O)cc1 1907214 YICIXTDZAAFXHI-UHFFFAOYSA-N 428.872 3.699 0 40 IHAB CCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(C)cc(=O)oc2c1C 2149550 DKHMMCFFLDOIKJ-IBGZPJMESA-N 443.521 3.771 0 40 IHAB biogenic CCOc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccc4c(c3)OCO4)c3ccccc32)cc1 2337626 DNTFZYHBFPICSG-SANMLTNESA-N 445.471 3.821 0 40 IHAB CCCCCCOc1ccc(/C=c2\sc3nc(-c4cccnc4)nn3c2=O)cc1OC 2363492 VPMKXSOWKILHJM-ZHZULCJRSA-N 436.537 3.728 0 40 IHAB O=C(CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCCC3)NC1CC1 2645669 GLFLWLWDWPAZAK-UHFFFAOYSA-N 439.606 3.950 0 40 IHAB Cc1ccc(-n2c(SCC(=O)N3CCc4ccccc43)nc3c(c2=O)SCC3)cc1 2719738 USSZNBHUENJRSD-UHFFFAOYSA-N 435.574 3.871 0 40 IHAB CCC(C)(C)C(=O)O[C@H]1C[C@@H](CO)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 4217404 ATPFRGQBOVFFQM-HGQWONQESA-N 434.573 3.558 0 40 IHAB in-vitro CC(=O)N1CCN(c2ccc(NC(=O)COc3ccc(Cl)c(C)c3)cc2Cl)CC1 6194200 QHBMYPLSVLTJJK-UHFFFAOYSA-N 436.339 3.988 0 40 IHAB CN(C[C@H](O)COc1ccc(OC[C@@H](O)CN(C)C2CCCCC2)cc1)C1CCCCC1 6576958 YZKSALQYGMMYST-ZEQRLZLVSA-N 448.648 3.695 0 40 IHAB Cc1cc(C)n(C[C@@H](O)CN(c2cccc3ccccc23)S(=O)(=O)c2ccccc2)n1 8721957 TXALKHFOCDFKLB-OAQYLSRUSA-N 435.549 3.910 0 40 IHAB Cc1cc2c(c(O)c1-c1c(C)cc3c(c1O)C(=O)[C@H](O)[C@@H]3C(C)C)C(=O)[C@@H](O)[C@@H]2C(C)C 8782773 QNSJPNOLAYAJEG-TVKIDPOGSA-N 438.520 3.975 0 40 IHAB COc1ccc(S(=O)(=O)NC[C@H]2CN(c3ccc(Cl)c(Cl)c3)C(=O)O2)cc1C 8838481 RDECXHSLDHRFLH-ZDUSSCGKSA-N 445.324 3.614 0 40 IHAB CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C 8876331 JJTCYRWWBGWERI-YYDVJCTNSA-N 445.629 3.728 0 40 IHAB biogenic COC(=O)c1ccc(NC(=O)Cn2cnc3scc(-c4ccc(OC)cc4)c3c2=O)cc1 8950213 NWYXPUOZOAUAHD-UHFFFAOYSA-N 449.488 3.559 0 40 IHAB O=C(Nc1ccc2c(c1)OCO2)c1ccccc1NS(=O)(=O)c1c(F)cccc1F 9125014 DKYXUYNZQYGVAE-UHFFFAOYSA-N 432.404 3.747 0 40 IHAB CCCNC(=O)[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1c1ccc(OC)c(Cl)c1 9238715 VGIBQERBPUDXEA-ZWKOTPCHSA-N 443.960 3.892 0 40 IHAB COc1ccc(Nc2nc(COC(=O)C[C@@H]3Oc4ccccc4NC3=O)cs2)cc1 9428969 VTWUTHZXDQKRQD-SFHVURJKSA-N 425.466 3.728 0 40 IHAB Cc1cc(=O)oc2cc(OCC(=O)N3CCN(c4ccc(F)cc4)CC3)c(Cl)cc12 9433814 VRDIENRVHZWTDP-UHFFFAOYSA-N 430.863 3.622 0 40 IHAB CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)cc1 9576572 FEEYXZYAOBWNER-LJQANCHMSA-N 432.524 3.936 0 40 IHAB Cc1ccc(-c2nnc(O)c3c2[C@H](c2ccc(Br)cc2)n2nnnc2N3)cc1 10232596 TZIILEQKVUXCHS-KRWDZBQOSA-N 436.273 3.601 0 40 IHAB COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=S)N[C@@H]1c1cc(OC)c2c(c1)OCO2 10362445 LQSNKGJCOZTNDQ-GOSISDBHSA-N 446.912 3.960 0 40 IHAB NC(=O)CCCCCn1c(SCC(=O)c2ccc3c(c2)CCC3)nc2ccccc2c1=O 10606353 SSYMNJCATFYPFJ-UHFFFAOYSA-N 449.576 3.906 0 40 IHAB COc1cc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)ccc1N1CCCC1=O 12508620 CRYARHFNHDLAKX-UHFFFAOYSA-N 430.404 3.521 0 40 IHAB COc1ccc(Cl)cc1[C@H](OC(=O)Cn1cnc2ccccc2c1=O)C(F)(F)F 12854544 VJXFPLPVARGGRC-KRWDZBQOSA-N 426.778 3.905 0 40 IHAB Cc1ccc(-n2c(SCC(=O)N3CCCCC3)nc(O)c(Cc3ccccc3)c2=O)cc1 13765843 DAVNJQNRECXWKP-UHFFFAOYSA-N 449.576 3.942 0 40 IHAB Cc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)o1 14183940 ULFWGRRFFPTWAZ-UHFFFAOYSA-N 445.368 3.954 0 40 IHAB O=C(C[C@](O)(c1ccccc1)C(F)(F)F)N1CCN(Cc2nc3ccccc3s2)CC1 14241786 MHTJOOIMMMBFLM-NRFANRHFSA-N 449.498 3.781 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3cccc(F)c3)cc2)cc1 14427792 DBEHQVNIHFOPLY-UHFFFAOYSA-N 428.485 3.977 0 40 IHAB COc1ccc(CN2Cc3nc[nH]c3C[C@H]2C(=O)NCc2ccccc2)c2ccccc12 15676212 AQGILGRYOACPMR-DEOSSOPVSA-N 426.520 3.815 0 40 IHAB biogenic,in-vitro CCc1nn2c(=O)cc(COC(=O)c3cccc(NC(=O)c4ccc(C)cc4)c3)nc2s1 15771668 BQBPLBHHVRNJBD-UHFFFAOYSA-N 448.504 3.631 0 40 IHAB CC(C)CC(=O)Nc1ccc(C(=O)OCc2cc(=O)n3nc(CC(C)C)sc3n2)cc1 15771777 BFLCSSCMHLMIRI-UHFFFAOYSA-N 442.541 3.691 0 40 IHAB Cc1cc(N2CCN(C(=O)c3c(C)nn(-c4ccc(F)cc4)c3C)CC2)nc(C(C)C)n1 16103510 XFSNOFVTXIXOOR-UHFFFAOYSA-N 436.535 3.812 0 40 IHAB CCOc1ccc(C(=O)NC(=S)Nc2ccccc2-c2nn3c(C)nnc3s2)cc1 17102340 PMJRVBFINFHZEB-UHFFFAOYSA-N 438.538 3.687 0 40 IHAB O=C(COC(=O)c1cc(F)c(Cl)cc1Cl)Nc1ccccc1C(=O)NC1CC1 17751412 JBZYIDAZOGZVMZ-UHFFFAOYSA-N 425.243 3.820 0 40 IHAB COC(=O)c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4C)[C@@H](c4cccs4)[C@H]3C2=O)cc1 18097981 JYKHCZXIQIKLBM-QHAWAJNXSA-N 448.500 3.894 0 40 IHAB Cc1cccc(CC(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)CN(C2CCC(C)CC2)CC3)c1 19234715 UVZBTUDRDKYTNH-DLUKIOLESA-N 448.611 3.921 0 40 IHAB Cc1cc(C(=O)COC(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)c(C)n1CCC(C)C 19353071 VXWGJVQRNKXSIF-UHFFFAOYSA-N 443.475 3.533 0 40 IHAB O=C(Cc1ccccn1)N1CCc2nc(-c3ccncc3)nc(Nc3cccc(F)c3)c2C1 19401241 FDVCURLZSWNSFB-UHFFFAOYSA-N 440.482 3.944 0 40 IHAB Cc1nc(COc2ccccc2C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)cs1 19485594 ZOYJCVVQXYHTSO-CYBMUJFWSA-N 440.477 3.943 0 40 IHAB CNC(=O)c1sc2ncccc2c1[C@@H]1CN(Cc2c(C)nn(C(C)C)c2C)CCO1 19703212 URWJSVCIIMJBPR-SFHVURJKSA-N 427.574 3.624 0 40 IHAB COc1ccc(C(=O)c2cn(CC(=O)Nc3cccc(F)c3)c3nc(C)ccc3c2=O)cc1 20579677 UMDGDDVKOXYBPV-UHFFFAOYSA-N 445.450 3.722 0 40 IHAB COC(=O)c1ccc(CNC(=O)[C@@H](C)Sc2nnc3sc4ccccc4n23)cc1 21417742 UAUCIBPLUFMNQJ-GFCCVEGCSA-N 426.523 3.528 0 40 IHAB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)cc1C 22268225 CRFZPLJXMWYNSK-QFIPXVFZSA-N 438.549 3.922 0 40 IHAB CCOc1ccc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCN(C)CC3)c2c1 22574383 ANZMYZLXYDTHQV-UHFFFAOYSA-N 445.972 3.872 0 40 IHAB C[C@@H](C(=O)Nc1ccc(NC(=O)Cc2csc(-c3ccsc3)n2)cc1)n1cncn1 25296495 OABFDSHMVUEYFW-ZDUSSCGKSA-N 438.538 3.844 0 40 IHAB Cc1ccc(C(=O)Nc2ccc(OC3CCCC3)cc2)cc1S(=O)(=O)N1CCOCC1 29024669 JOGDQQIVGLGDCG-UHFFFAOYSA-N 444.553 3.590 0 40 IHAB CC(=O)c1c(C)[nH]c(C(=O)N2CCN([C@H](C)c3nc(-c4ccc(C)cc4)no3)CC2)c1C 31562267 QKZKLBWLIZLJLU-QGZVFWFLSA-N 435.528 3.712 0 40 IHAB C[C@H](Cc1ccc2c(c1)OCO2)N(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C 32109473 NRHLKCXDZWXUOZ-YLJYHZDGSA-N 440.540 3.941 0 40 IHAB biogenic Cc1cc(I)cc(C)c1NC(=O)COC(=O)c1ccc(F)cc1 32124869 DZDSOJNRASYSRW-UHFFFAOYSA-N 427.213 3.843 0 40 IHAB CN(C)CCN(Cc1ccccc1)C(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O 32740909 YAVLHBQRGIQSAM-UHFFFAOYSA-N 443.547 3.806 0 40 IHAB C[C@@H](NC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1)c1ccc(-n2ccnc2)cc1 32970944 QFYXNRDSZDAZML-CQSZACIVSA-N 449.492 3.621 0 40 IHAB C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)N2CCCCC2)c(Cl)c1)c1ccccc1 34702481 ZDCNSZKBGFKSFX-MRXNPFEDSA-N 436.961 3.771 0 40 IHAB CCOc1ccc2[nH]c(=O)c([C@H]3c4cc(OC)c(OC)cc4CCN3C(=O)CC)cc2c1 35313416 QSFVKRFXBUQJTI-XMMPIXPASA-N 436.508 3.828 0 40 IHAB Cc1ccc(S(=O)(=O)NCCCC(=O)N[C@H](C)c2ccc(C(F)(F)F)cc2)cc1 40155433 LTWUVVVGZQSDKW-OAHLLOKOSA-N 428.476 3.950 0 40 IHAB Cc1csc(NC(=O)CSc2nnc(NC(=O)c3nc4ccccc4s3)s2)n1 43939675 AVNZYCWWHLGTRH-UHFFFAOYSA-N 448.580 3.896 0 40 IHAB CCc1nc(-c2ccc(N3CCN(C(=O)C4(c5cccs5)CCCC4)CC3)nc2)no1 44094905 FQXZQQIBZOXNGX-UHFFFAOYSA-N 437.569 3.916 0 40 IHAB CCN1CCN(c2ccccc2NC(=O)Nc2ccccc2N2CCN(CC)CC2)CC1 48253610 YHVLINHVKUXDQD-UHFFFAOYSA-N 436.604 3.614 0 40 IHAB CCOc1ccc(NC(=O)Cn2c(=O)n(-c3cccc(C)c3)c(=O)c3sccc32)cc1 57489913 OHJYACVPRZXSOY-UHFFFAOYSA-N 435.505 3.560 0 40 IHAB Cc1ccccc1NC(=O)Cn1c(=O)n(-c2cccc(Cl)c2)c(=O)c2sccc21 57491467 BBNHWRSOLRDTTJ-UHFFFAOYSA-N 425.897 3.814 0 40 IHAB CCOc1ccc(NC(=O)Cn2c(=O)n(-c3cc(C)ccc3C)c(=O)c3sccc32)cc1 57492408 COVUFSUWOBJWKQ-UHFFFAOYSA-N 449.532 3.868 0 40 IHAB CCOC(=O)[C@@H](NCC(=O)Nc1cccc(N2CCCC2=O)c1)c1cccc2ccccc12 58215818 QBQAPTDFTJFJIS-VWLOTQADSA-N 445.519 3.799 0 40 IHAB C[C@H]1CN(C(=O)C2CCN(C(=O)Nc3cccnc3Oc3ccccc3)CC2)C[C@H](C)O1 58305287 QVOZTSZOTHUJIZ-ROUUACIJSA-N 438.528 3.754 0 40 IHAB Cc1nn(-c2ccccc2)c(Cl)c1CS(=O)(=O)[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C 59744970 RVHGGEZLSNNUJZ-ZSZQSSIHSA-N 437.993 3.832 0 40 IHAB COc1cc([C@@H]2CC(=O)Nc3c2ncn3-c2cccc(Cl)c2)c(OC)c2c1OCO2 66089602 ACROJBDJGBUNOY-ZDUSSCGKSA-N 427.844 3.746 0 40 IHAB CSc1ccc(CNC(=O)CCn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)cc1 67261096 SRTVGTNCRQNBEX-UHFFFAOYSA-N 436.512 3.731 0 40 IHAB COc1ccccc1C(=O)N[C@@H](C(=O)N(C)Cc1c(C)nn(-c2ccccc2)c1C)C(C)C 69713543 FVWLMYFLTBDHOS-XMMPIXPASA-N 448.567 3.911 0 40 IHAB CCNC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)c2ccn(CC)n2)C1 72390576 WCLAXBLTHKEFRT-AREMUKBSSA-N 430.552 3.781 0 40 IHAB COc1cccc(C(=O)N2CCC[C@@](Cc3cc(-c4ccccc4)no3)(C(=O)N(C)C)C2)c1 72395942 RAJUYGLYZFGGBS-SANMLTNESA-N 447.535 3.904 0 40 IHAB COc1ccc(-c2cc(N3CCN(C(=O)c4cccc(Br)c4)CC3)[nH]n2)cc1 98212557 VIXPQARUTPQFEN-UHFFFAOYSA-N 441.329 3.810 0 40 IHAB COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)c1OC 100994685 PXSJQVJGJHFENU-XJUOHMSHSA-N 430.460 3.755 0 40 IHAB Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2[C@H]2CCCN21 101351933 YPHXLCSUUWHSJE-KYCQWFEFSA-N 449.938 3.696 0 40 IHAB CCOC(=O)c1c[nH]n(C2CCN(C(=O)Nc3nc4ccc(CC)cc4s3)CC2)c1=N 101396126 FLRYINRKXLAGQT-UHFFFAOYSA-N 442.545 3.513 0 40 IHAB Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)CC2)c(C)c1 105881802 XIKCJKLBEFBPSZ-BLKABHOGSA-N 432.630 3.953 0 40 IHAB CC[C@H](C(=O)NCCCc1ccccc1OC)N(c1ccc(C)c(C)c1)S(C)(=O)=O 219120257 JNUBJFLGJPZTRB-OAQYLSRUSA-N 432.586 3.606 0 40 IHAB COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)c1 220360379 FIPPCZOXNPMHAU-CQSZACIVSA-N 438.933 3.537 0 40 IHAB CC[C@@H](C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)N(c1cccc(C)c1)S(C)(=O)=O 220520044 FJDOFVZVTFSSHE-UXHICEINSA-N 430.570 3.958 0 40 IHAB CC[C@@H](C(=O)NCc1ccc(OC(C)C)cc1)N(c1cc(C)ccc1C)S(C)(=O)=O 220552131 DFPAZWGBJOXALZ-NRFANRHFSA-N 432.586 3.952 0 40 IHAB CN(c1cccc(C(=O)NCCOc2ccccc2Cl)c1)S(=O)(=O)c1ccccc1 224257893 VJLLCHROTSXKEL-UHFFFAOYSA-N 444.940 3.974 0 40 IHAB COc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)N3CCc4ccccc4C3)c2)cc1 224279796 KDWUYNNPXPXPDG-UHFFFAOYSA-N 436.533 3.719 0 40 IHAB CCOC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(OC)c(C)c1 224636511 BWOQAABTUFTFGG-UHFFFAOYSA-N 442.331 3.525 0 40 IHAB COc1ccc(CC(=O)N(Cc2cccc(Br)c2)[C@@H](C)C(=O)NC(C)C)cc1 224699347 RAUAWYNMNZEQLK-INIZCTEOSA-N 447.373 3.942 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCCc1ccc(Cl)cc1)c1c(F)cccc1F 224885914 QEWPAZYGZOXCCS-UHFFFAOYSA-N 430.904 3.523 0 40 IHAB Cc1ccc(-c2noc(CNC(=O)/C(=C/c3ccco3)NC(=O)c3ccccc3)n2)cc1 225679008 IXNOKSHIBRNVPE-ZHZULCJRSA-N 428.448 3.725 0 40 IHAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1OC 225750088 ISKDNLKOQYVTRG-WIYYLYMNSA-N 442.556 3.805 0 40 IHAB CCc1cc(Br)cc(C)c1NC(=O)CCc1ccc(S(N)(=O)=O)cc1 226050801 OKJXKILZENAQQT-UHFFFAOYSA-N 425.348 3.539 0 40 IHAB O=C(NCC1CCN(c2ncc(F)cn2)CC1)c1cc(Br)ccc1Cl 239579011 DDMXFUNIRMQSTC-UHFFFAOYSA-N 427.705 3.678 0 40 IHAB CC(=O)c1ccccc1OC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)cc1 251060909 VJERKDHTEFPNST-AEZRXPCCSA-N 427.456 3.666 0 40 IHAB O=C(CCc1nc(O)c2ccccc2n1)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@@H]34)[C@H]21 257198535 BYQRZZAKUKCZOI-AJDBGRLRSA-N 432.568 3.690 0 40 IHAB Cc1nc([C@@H]2CCN(C(=O)C3CCCC3)C2)nc(C)c1CC(=O)NCc1ccc(F)cc1 257342546 ZPECGBWDUKXSDY-HXUWFJFHSA-N 438.547 3.598 0 40 IHAB Cc1ccc(C)c(N([C@@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)c1 260455432 PMGQSKHVBRUGSE-HKUYNNGSSA-N 430.570 3.877 0 40 IHAB COc1ccc(-c2ccc(OC(=O)c3ccccc3I)nn2)cc1 408526688 AEXHOCCUNYASEP-UHFFFAOYSA-N 432.217 3.976 0 40 IHAB COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2ccccc2OC)cc1OC 408574724 CEAJEVXWNHGZGB-UHFFFAOYSA-N 434.492 3.937 0 40 IHAB COc1cc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc3ccccc3c2)c(OC)cc1Cl 408592844 MCPILFFPCYYOFC-ZDUSSCGKSA-N 448.928 3.816 0 40 IHAB Cc1cc2c(nc3s/c(=C\c4ccc5c(c4)OCO5)c(=O)n32)c(Br)c1C 408978572 MVCYCMXGRKRGFE-CHHVJCJISA-N 429.295 3.565 0 40 IHAB COc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3cccc(C)c3)[C@@H]2c2ccc(Cl)cc2)cc1 409059518 QEQAYLKJYNJCPV-WAUWHALJSA-O 448.930 3.673 0 40 IHAB COc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(Cl)cc3)[C@@H]2c2ccc(C)cc2)cc1 409059871 YDABERZIOAKJGF-LMOLPZMTSA-O 448.930 3.673 0 40 IHAB CCN(CC)C(=O)Cn1cc(/C=C2\SC(=O)NC2=O)c2cc(Br)ccc21 409133958 REFFVPOCFDSQAX-CHHVJCJISA-N 436.331 3.596 0 40 IHAB O=C([C@@H]1CCCN1C(=O)c1ccccc1OC(F)F)N1CCC(Oc2ccccc2)CC1 510118657 IJURSXBIWBKCRO-FQEVSTJZSA-N 444.478 3.963 0 40 IHAB CC(=O)N1CCN(c2cc(-c3noc(-c4ccc5[nH]c6c(c5c4)CCCC6)n3)ccn2)CC1 546329660 FBVADAIMLAKFLB-UHFFFAOYSA-N 442.523 3.827 0 40 IHAB Cc1ccc(-c2cncc(-c3nc(-c4cccc([C@]5(C)NC(=O)NC5=O)c4)no3)c2)cc1 546359329 SFHUBKUDUOEXAB-DEOSSOPVSA-N 425.448 3.829 0 40 IHAB CC(C)n1cnc([C@@H]2CN(C(=O)c3cccs3)C[C@@]23CCCN(CC2CC2)C3=O)c1 585107451 WDNNSCQNRPCLLH-MBSDFSHPSA-N 426.586 3.784 0 40 IHAB COc1cc(CN(C)C[C@@H](O)COc2ccccc2)ccc1OCCN1CCC(C)CC1 585270651 ALCNRXPWHDABGC-HSZRJFAPSA-N 442.600 3.678 0 40 IHAB O=C(CS(=O)(=O)Cc1ccc(Cl)s1)N1CC[C@@H](OCCCc2ccccc2)C1 674518204 ZWVGRSXQFNVCFP-QGZVFWFLSA-N 442.002 3.567 0 40 IHAB CN1CCN(S(=O)(=O)c2oc3ccccc3c2Br)[C@@H](c2ccccc2)C1 1653420189 LITSBZFZZHAUGJ-MRXNPFEDSA-N 435.343 3.873 0 40 IHAB Cc1noc(Cc2ccc(NC(=O)NC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C)cc2)n1 1675118258 IWFZDQQOQHOPEK-RHSMWYFYSA-N 429.521 3.593 0 40 IHAB COc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2C)CC(C)(C)OC4)cc1 1302797 FLGAWOWZXMEKQY-UHFFFAOYSA-N 445.566 3.586 0 40 IHAB Cc1ccc(CNC(=O)CN2CCC(n3nnc4cc(C(F)(F)F)ccc43)CC2)cc1 1380634 LEKQUQYOQXTGSU-UHFFFAOYSA-N 431.462 3.712 0 40 IHAB COc1ccc(NC(=O)CN2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)cc1 1383974 BJYIMQPZJLUZFU-OVKIHRCZSA-N 438.483 3.526 0 40 IHAB Cc1ccc(S(=O)(=O)N(CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 1561396 RWIGLZMDSKKXJN-UHFFFAOYSA-N 429.563 3.926 0 40 IHAB Nn1c(SCC(=O)Nc2ccc(F)cc2F)nnc1-c1ccc(Cl)cc1Cl 2220246 AGKYHDFDVLREGQ-UHFFFAOYSA-N 430.267 3.975 0 40 IHAB CC[C@@H]1SC2=NC(C)=C(C(=O)OCC(C)C)[C@H](c3ccc(OC)c(OC)c3)N2C1=O 2249883 CYGSIFGDUIMDIJ-HKUYNNGSSA-N 432.542 3.942 0 40 IHAB CC[C@@H]1SC2=NC(C)=C(C(=O)OCC(C)C)[C@@H](c3ccc(OC(C)=O)cc3)N2C1=O 2702453 IYNKROIZPBWORX-PKOBYXMFSA-N 430.526 3.850 0 40 IHAB CCCNC(=O)CSc1nc2ccccc2c(=O)n1CCCn1nc(C)c(Cl)c1C 2733633 CFWUHIBUYFPTMQ-UHFFFAOYSA-N 447.992 3.572 0 40 IHAB CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)NCc1ccc(C)cc1 3476932 LRLJRCQLLWRVPE-GOSISDBHSA-N 435.387 3.925 0 40 IHAB CC1CCN(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2Cl)C3=O)CC1 3503016 OTHWJIFJRKKNPW-UHFFFAOYSA-N 440.883 3.556 0 40 IHAB CC(C)c1ccc(NC(=S)N[C@H]2CO[C@@H]3[C@H](OC(=O)Nc4ccccc4)CO[C@H]23)cc1 3838534 FDSOLMYBMVSYSD-DOIPELPJSA-N 441.553 3.880 0 40 IHAB biogenic,in-vitro CCOc1nc2ccc(N[C@@H](C)C(=O)N3CCN(CCc4ccccc4)CC3)cc2s1 5486339 FNVSCVMKGPBTQH-SFHVURJKSA-N 438.597 3.882 0 40 IHAB COCCCNC(=O)c1c(NC(=O)c2cc(=O)c3ccccc3o2)sc2c1CCCC2 8612243 WBMZKRAHUXBFJF-UHFFFAOYSA-N 440.521 3.752 0 40 IHAB Nc1nc(-c2cc(Br)c(O)c(Br)c2)n2c(n1)nc1ccccc12 8710111 JMWGILUBHOXEBH-UHFFFAOYSA-N 435.079 3.757 0 40 IHAB Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)NCc3ccccc3)CC2=O)cc1 8782327 DGAVRSFDZUQQDK-HXUWFJFHSA-N 427.504 3.917 0 40 IHAB COCCn1c(C)cc(C(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)o2)c1C 9283507 FKHURPVTNNLSIB-UHFFFAOYSA-N 431.514 3.794 0 40 IHAB O=C(COC(=O)CC1CCCC1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 9335209 LAEJGRQPFRZEQW-UHFFFAOYSA-N 442.965 3.577 0 40 IHAB COc1ccc2c(c1)[C@@H]1C[C@](C)(O2)N(C)C(=O)[C@@H]1S(=O)(=O)c1ccc(C(C)C)cc1 9407611 SLJZKUWMQWWDMC-WPYKKVEZSA-N 429.538 3.715 0 40 IHAB COc1ccc(OC)c([C@H]2CCCN2[C@@H](C)C(=O)Nc2sc3c(c2C(N)=O)CCC3)c1 9414486 CKFNCTQNTBZRJH-SUMWQHHRSA-N 443.569 3.517 0 40 IHAB CN(C)S(=O)(=O)c1cccc(CSc2nnc(-c3ccc(OC(F)F)cc3)o2)c1 9507193 PIIWYLYIYHSVHL-UHFFFAOYSA-N 441.481 3.881 0 40 IHAB Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3cc4ccccc4o3)C2=O)c(C)n1C[C@@H]1CCCO1 9548460 LDBRWNBMPZAOKG-BVZFJXPGSA-N 449.507 3.680 0 40 IHAB O=C(NCCc1c[nH]c2ccccc12)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 9576429 LLCXVVTVBHJXAZ-QGZVFWFLSA-N 445.972 3.581 0 40 IHAB CN(C(=O)CN1C(=O)N[C@@](C)(c2cc3ccccc3o2)C1=O)[C@@H]1CCCc2ccccc21 9579915 DYMQYLOOZAGAME-CLOONOSVSA-N 431.492 3.736 0 40 IHAB Cc1cc(C(=O)CCC(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c(C)s1 9580232 DHFPBHYZCRRHGF-UHFFFAOYSA-N 442.537 3.934 0 40 IHAB COc1cccc(NC(=O)CSc2nnc(-c3cccc(OC)c3)n2-n2cccc2)c1 9738475 UBXIQYKJBBXTBK-UHFFFAOYSA-N 435.509 3.806 0 40 IHAB CCN(Cc1cccs1)C(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 9739213 FNOIYHFEMACKLN-UHFFFAOYSA-N 433.533 3.592 0 40 IHAB COc1ccc(-c2cc3ncnc(Sc4nnnn4C[C@H]4CCCO4)c3s2)cc1 9779253 KREZXJCVJYJZQE-CQSZACIVSA-N 426.527 3.684 0 40 IHAB CCOC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)cc1 9781603 UKHUTYLRVRVMRV-IRXDYDNUSA-N 444.553 3.782 0 40 IHAB Cc1csc2nc(COC(=O)CSc3ncnc4c3oc3ccccc34)cc(=O)n12 9961489 MTBKULUWKUKERJ-UHFFFAOYSA-N 438.490 3.589 0 40 IHAB COc1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(F)cc2)cn1 10037361 DDNANXKXHONZLH-NRFANRHFSA-N 432.455 3.690 0 40 IHAB CCn1cc(S(=O)(=O)N2CCCCC[C@@H]2c2cc(-c3ccc4c(c3)OCO4)on2)cn1 12187889 QKZUDBZZKLWHRH-GOSISDBHSA-N 444.513 3.593 0 40 IHAB COc1ccc2nc(SCC(=O)Nc3ccccc3C(=O)NCc3ccco3)[nH]c2c1 12559523 WTKYABFKHNZCNR-UHFFFAOYSA-N 436.493 3.825 0 40 IHAB Cc1c(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c(=O)n(-c2ccccc2)n1C 12630683 CSGYUKPSJWFUOA-UHFFFAOYSA-N 445.850 3.957 0 40 IHAB C[C@@H](OC(=O)c1ccccc1COc1ccccc1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 12736800 ADNUMCHGQUMZLQ-OAHLLOKOSA-N 431.448 3.619 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc4c(s3)CCCC4)CC2)cc1C 12758734 FSHNHRDYIIFPLK-UHFFFAOYSA-N 433.599 3.678 0 40 IHAB CCC(C)(C)NC(=O)[C@H](c1cccc(C)c1)N(Cc1cccnc1)C(=O)c1csnn1 12874789 GKAYKIDTSLKCEF-FQEVSTJZSA-N 437.569 3.930 0 40 IHAB O=C(c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1)N1CCN(C(=O)C2CC2)CC1 12977442 ZSJGLLCOEURISN-UHFFFAOYSA-N 448.954 3.946 0 40 IHAB CCCNC(=O)[C@H](C)Sc1nc2sc(-c3ccccc3)cc2c(=O)n1CCOC 13018367 IISVMEAPHOHHAN-AWEZNQCLSA-N 431.583 3.778 0 40 IHAB COc1cc([C@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccccc2C)n3C)ccc1O 13567490 SJWOIJPSKOCUBX-MRXNPFEDSA-N 437.521 3.569 0 40 IHAB CC[C@@H](C)[C@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccc(F)cc1)C(=O)O 13610120 CAMGOSGJNOVRHC-GBSMKCJWSA-N 444.503 3.999 0 40 IHAB CCc1ccccc1NC(=O)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 13677199 TVWJDKBFDDYYTD-HSZRJFAPSA-N 436.533 3.985 0 40 IHAB C[C@@H](c1ccccc1)N1C[C@H](C(=O)N2CCN(Cc3nc4ccccc4s3)CC2)CC1=O 14228405 FCWUPQCXVLLYGK-AZUAARDMSA-N 448.592 3.550 0 40 IHAB CCOc1ccc(C(=O)NC(=S)Nc2ccc(I)cc2F)cc1 14271031 ADGUXJQVIOIPBT-UHFFFAOYSA-N 444.269 3.956 0 40 IHAB COc1ccccc1Nc1nc(N)nc(COC(=O)[C@@H](C)Sc2ccc(C)cc2)n1 16679125 IKOGSDQRBSBDNJ-CQSZACIVSA-N 425.514 3.738 0 40 IHAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)COc2cccc3ccccc23)CC1 19207741 WEYAJMCDMLDNDQ-UHFFFAOYSA-N 432.476 3.825 0 40 IHAB O=C([C@H]1CCCN1)N1CCC[C@@H](c2cc(Nc3cccc(F)c3)nc(-c3cccnc3)n2)C1 19294185 ZGFIORGJQHUDQC-WIYYLYMNSA-N 446.530 3.879 0 40 IHAB O=C(CCCc1ccncc1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(C1CCCC1)C2 19405095 UUOYGAFCMSGYQL-QHCPKHFHSA-N 449.599 3.542 0 40 IHAB COc1cccc2[nH]c(C(=O)N3CCCC[C@H]3c3nc(O)c4c(n3)CN(C(C)C)CC4)cc12 19448355 UNYNQPLFCAAEGP-NRFANRHFSA-N 449.555 3.806 0 40 IHAB CCc1nnsc1C(=O)N1CCNC(=O)[C@H](Cc2ccc(-c3cccc(C)c3)cc2)C1 19521876 YUEOOZBMLNOBLI-HXUWFJFHSA-N 434.565 3.507 0 40 IHAB COc1ccc(CC(=O)N2CC[C@](Cc3ccccc3-c3ccccc3)(C(N)=O)C2)cc1 19554032 KSLIEIFVXBFROA-HHHXNRCGSA-N 428.532 3.851 0 40 IHAB Cc1nc(CN(C)CCOc2ccc(F)cc2)nc2c1CCC(=O)N2CCc1ccccc1 19698557 VEICRYNUCWTAOR-UHFFFAOYSA-N 448.542 3.957 0 40 IHAB CCN(CC)C(=O)c1cnc([C@H]2CCN(C(=O)Cc3c(C)[nH]c4ccc(C)cc34)C2)nc1C 19757338 LWQBBRVEBJYTGZ-IBGZPJMESA-N 447.583 3.924 0 40 IHAB Cc1ccccc1CSCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 19868798 GCXQSUWNNUQOCN-KRWDZBQOSA-N 438.640 3.507 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)c(F)c2)Cc2ccccc2)cc1 20011132 TWTIIOCWAHKYQK-UHFFFAOYSA-N 446.475 3.803 0 40 IHAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1 20017594 RSPGRLJUGKYRJR-UHFFFAOYSA-N 448.560 3.675 0 40 IHAB CCOc1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)c1 20043307 YRMLOTXMLSQYMB-UHFFFAOYSA-N 436.961 3.919 0 40 IHAB COc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2ccc(F)cc2)cc1Cl 20068885 ZZGPAPHKRUNMKG-SJORKVTESA-N 433.896 3.785 0 40 IHAB CCOc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 22509758 JAQGYHNDZNEBLF-FQEVSTJZSA-N 430.570 3.698 0 40 IHAB O=C(NC[C@@H](c1cccs1)N1CCc2ccccc2C1)C(=O)Nc1ccc(F)cc1F 22908176 QSUWRWKQGQGRGO-FQEVSTJZSA-N 441.503 3.881 0 40 IHAB COc1ccc(S(=O)(=O)N(Cc2cccs2)C[C@H]2CCCO2)cc1Br 24106252 RKYIDIJLHHCHEV-CYBMUJFWSA-N 446.388 3.889 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1)C1CCOCC1 24645671 HNDUBTFPNQBEIU-UHFFFAOYSA-N 442.581 3.695 0 40 IHAB COc1cc(OC)c(C2=CCN([C@H](C)C(=O)Nc3ccc(Cl)cn3)CC2)c(OC)c1 32860127 GEPGSWHZCPSJLR-CQSZACIVSA-N 431.920 3.877 0 40 IHAB O=C(NC1CCN(C(=O)[C@@H](NC(=O)c2cccs2)c2ccccc2)CC1)c1ccccc1 32876614 GUNLUMPQBDJJAC-QFIPXVFZSA-N 447.560 3.640 0 40 IHAB Cc1nc(C)c(-c2nnc(SCC(=O)NC(=O)NC34CC5CC(CC(C5)C3)C4)o2)s1 32905929 QHTZCPQUNNEFLP-UHFFFAOYSA-N 447.586 3.697 0 40 IHAB O=C(c1ccc2c(=O)n3c(nc2c1)CCCCC3)N1CCN(C/C=C/c2ccccc2)CC1 33411705 KXXLZXWQIFCPGD-JXMROGBWSA-N 442.563 3.594 0 40 IHAB CC(C)CCNC(=O)COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1Cl 33454428 CPYXDYZYQXXVKE-INIZCTEOSA-N 438.977 3.921 0 40 IHAB COc1ccc2c(CCNC(=O)CN3C(=O)S/C(=C/c4ccccc4)C3=O)c[nH]c2c1 33543201 SVHJZIXCPVDZBQ-RGVLZGJSSA-N 435.505 3.572 0 40 IHAB CCN(CC(=O)Nc1c(C)cccc1C)S(=O)(=O)c1ccc(Br)cc1 33634952 ZBVFIGWRIWMRKM-UHFFFAOYSA-N 425.348 3.715 0 40 IHAB CC1=C[C@@H](CN2CCC(C(N)=O)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccncc2)o1 35442659 YXBRLQISXRFFAJ-FKBYEOEOSA-N 437.588 3.726 0 40 IHAB biogenic,in-vitro COc1cccc([C@@H]2CC(O)=Nc3c2c(C)nn3-c2ccc3nncn3n2)c1OCC(C)C 40283797 XMQTXLQUYIGMPS-INIZCTEOSA-N 447.499 3.785 0 40 IHAB CCCn1c(=O)c2sccc2n2c(CCC(=O)Nc3cccc(SC)c3)nnc12 45895886 BVCBJXNBCGJVOR-UHFFFAOYSA-N 427.555 3.809 0 40 IHAB CCc1ccc(NC(=O)Cn2c(=O)n(Cc3ccccc3F)c(=O)c3sccc32)cc1 57485980 MHVUNORTWTXFLL-UHFFFAOYSA-N 437.496 3.613 0 40 IHAB COCCC(=O)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(OC)c(C)c2C)C1 57774138 VZBYVNVCVOECGM-OFVILXPXSA-N 425.573 3.813 0 40 IHAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3N3CCC(C(N)=O)CC3)c3c2CCC3)cc1 58439593 YDTWSLNKRCIUHP-UHFFFAOYSA-N 443.551 3.623 0 40 IHAB COc1ccc(-c2cc3c(N4CCC(C(=O)N5CCCCC5)CC4)nccn3n2)cc1OC 67264203 NFCTYZBFAAOEJE-UHFFFAOYSA-N 449.555 3.642 0 40 IHAB C[C@H]1CN(CC2CCN(CCS(=O)(=O)c3cc(Cl)ccc3Cl)CC2)C[C@@H](C)O1 69923631 PYQZBVFXPRPHTA-IYBDPMFKSA-N 449.444 3.588 0 40 IHAB COc1cccc(-n2c(SCc3cc(=O)n4ccccc4n3)nc3ccsc3c2=O)c1 71327586 SZOSKBWINKCAHQ-UHFFFAOYSA-N 448.529 3.756 0 40 IHAB O=C(NCC[S@@](=O)Cc1ccccc1)[C@@H](c1cccc(Br)c1)N1CCCC1 72306973 GCWZZKRFZXRRFB-HRFSGMKKSA-N 449.414 3.651 0 40 IHAB Cc1ccc(NC(=O)CN2C[C@@H](C)N(CC(=O)Nc3ccc(C)c(F)c3)C[C@@H]2C)cc1F 72308497 BSPBGEVINZEFRD-HDICACEKSA-N 444.526 3.553 0 40 IHAB CNc1cc([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc(CN(C)C(=O)CC2CCCC2)n1 72391880 HOVBGGDVUGGOSU-HXUWFJFHSA-N 435.572 3.573 0 40 IHAB CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)N2CCN(c3ccccn3)CC2)C12CCCC2 72402391 BSJHCMAEYQYJBZ-XMMPIXPASA-N 446.595 3.939 0 40 IHAB CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1 89331160 KRZYWOGYCWLPTQ-UHFFFAOYSA-N 448.544 3.703 0 40 IHAB COc1ccc(Cn2ncc(Br)c2NS(=O)(=O)c2ccccc2C)cc1 95977798 CMVMCWWGUJTRPW-UHFFFAOYSA-N 436.331 3.812 0 40 IHAB Cc1ccc(Oc2ccc(NC(=O)CN3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@H]6C[C@H]56)[C@@H]4C3=O)cc2)cc1 100284244 HDGXAMFZBUFNBI-XPUPLBFISA-N 428.488 3.779 0 40 IHAB COC(=O)c1ccc([C@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 101728522 XDXJZBUCGIEITE-XPWALMASSA-N 442.471 3.520 0 40 IHAB CC[C@H](NC(=O)COC(=O)C1C[C@@H]2CCC[C@@H](C1)C2=O)c1ccc(Br)cc1 101851889 UQQHUTPMDSWYPT-MPGHIAIKSA-N 436.346 3.955 0 40 IHAB O=C(C[C@@H]1CSc2nc3c(c(=O)n21)CCC3)N1CCCC[C@@H](c2ccc(F)cc2)C1 206670385 ICXCTIACGSAUFO-SJLPKXTDSA-N 427.545 3.704 0 40 IHAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N(C)Cc3ccccc3F)cc2)cc1 222672306 QAKDOTZJUKTMOX-UHFFFAOYSA-N 442.512 3.972 0 40 IHAB CN(C)CCCNC(=O)c1cc(N(C)S(=O)(=O)c2ccc(Cl)cc2)ccc1Cl 224347438 XKTWKCLNXTZMFC-UHFFFAOYSA-N 444.384 3.500 0 40 IHAB CCOC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(OCC)cc1 224582931 MHPJKXLZNHMRKK-UHFFFAOYSA-N 442.331 3.606 0 40 IHAB COc1ccc(-c2nnc(NS(=O)(=O)c3ccc(Br)cc3)s2)cc1 225780106 QZRPJLRNIFCMDK-UHFFFAOYSA-N 426.317 3.777 0 40 IHAB COCC(=O)N1CCC(Cc2ccc(-c3ccccc3F)cc2)(C(=O)NC(C)C)CC1 257268526 MMCSPRJVGUMTFU-UHFFFAOYSA-N 426.532 3.815 0 40 IHAB COc1ccc2oc(C(=O)N3CCNC(=O)[C@@H]3Cc3cccc(-c4cccnc4)c3)cc2c1 257311396 UJGNUYAQVROOCB-QFIPXVFZSA-N 441.487 3.687 0 40 IHAB COc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1NC(=O)c1ccccc1F 408553395 VXJWMMNENRPCNB-UHFFFAOYSA-N 428.485 3.907 0 40 IHAB Cc1cc(C)cc(N2C[C@@H](C(=O)OCC(=O)Nc3ccccc3C(F)(F)F)CC2=O)c1 408659923 TXBAPSLNGQSDDF-HNNXBMFYSA-N 434.414 3.857 0 40 IHAB COc1ccc(S(=O)(=O)NCCSC2CCCCC2)cc1C(=O)N1CCCCC1 408693079 FXMPGFNYCRTMME-UHFFFAOYSA-N 440.631 3.666 0 40 IHAB CCN1C(=O)S/C(=C/c2cc(Cl)c(OCC(=O)OC)c(Br)c2)C1=O 409066713 CGZMANFPVYFWAV-IZZDOVSWSA-N 434.695 3.711 0 40 IHAB CCn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1cc(F)ccc1C 409327745 MGXPLWFVWXDGGK-UHFFFAOYSA-N 445.495 3.545 0 40 IHAB Cc1nc2ccnn2c(C)c1C(=O)Nc1cc(NC(=O)CN2CCCC[C@H]2C)ccc1F 536330555 YDIHBJPVJFNULS-CQSZACIVSA-N 438.507 3.550 0 40 IHAB O=C(NCc1ccc(Cn2cnc3ccccc32)cc1)NC1(C(=O)O)Cc2ccccc2C1 573397024 ROSUIXDHUCIEFI-UHFFFAOYSA-N 440.503 3.506 0 40 IHAB CCCN1CCN(C(=O)c2ncc[nH]2)C[C@@H](Cc2cccc(-c3ccccc3F)c2)C1=O 585172759 HQLHWFOKDGSAAA-HXUWFJFHSA-N 434.515 3.769 0 40 IHAB COCC(=O)N1CCCN(CC(C)C)CCCN(C(=O)C(C)C)Cc2cc(F)ccc21 643572571 HTOLGGUUZSTZRW-UHFFFAOYSA-N 435.584 3.542 0 40 IHAB CC(C)c1nc(S(=O)(=O)N2CCC(c3ccc4cc(Cl)cnc4n3)CC2)cn1C 1890844696 OFQFNPHZFDHFAJ-UHFFFAOYSA-N 433.965 3.708 0 40 IHAB COc1ccc(C(=O)CN2C(=O)C(C)(C)Oc3ccc(C(=O)NC4CCCC4)cc32)cc1 1342314 GLZHYHQRAUXIJV-UHFFFAOYSA-N 436.508 3.755 0 40 IHAB COc1ccc(OC)c(NC(=O)CSc2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)c1 1368125 NQPGHHGSDIKOLA-LLVKDONJSA-N 445.566 3.857 0 40 IHAB CCOc1ccccc1NC(=O)CSc1nnc(-c2cnccn2)n1Cc1ccco1 2207734 OTOWCFQCYWNUGA-UHFFFAOYSA-N 436.497 3.506 0 40 IHAB CC(C)(C)NC(=O)NC(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1 2622856 ILAKEAUUBAPUTR-UHFFFAOYSA-N 427.505 3.790 0 40 IHAB Cn1c(=O)/c(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)s/c1=C/C(=O)C(C)(C)C 3326327 NNSHOYGELDSIMY-OZCMVHISSA-N 443.572 3.524 0 40 IHAB CN(C)c1ccc([C@H](CNC(=O)CNC(=O)c2ccco2)c2c[nH]c3ccccc23)cc1 3406895 CMLKBZCPZTXQKF-FQEVSTJZSA-N 430.508 3.505 0 40 IHAB CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccccc2Br)NC(=O)N1 6461684 BWBHNMTVTPBLTJ-GOSISDBHSA-N 431.286 3.699 0 40 IHAB CCN(C(=O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)[C@@H]1CCS(=O)(=O)C1 6998734 LXGWGQFAFXZUMF-ZNKOEICNSA-N 431.598 3.569 0 40 IHAB Cc1ccc(NC(=O)CSc2nnc(Cc3cccc4ccccc34)n2N)cc1[N+](=O)[O-] 8657941 QRBSNBJJZCDGQP-UHFFFAOYSA-N 448.508 3.683 0 40 IHAB O=C(c1cc(Cl)sc1Cl)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 8735872 HXLVRKBDXKLIAC-UHFFFAOYSA-N 439.773 3.855 0 40 IHAB CCn1c(CN(C)Cc2ccc(Cl)s2)nc2cc(S(=O)(=O)N(C)C)ccc21 8746489 CCHBGEIDPRKRRW-UHFFFAOYSA-N 426.995 3.653 0 40 IHAB COc1cccc(NC(=O)CSc2nc(CC(=O)NCc3cccs3)cs2)c1 8850960 WJXLZIXCNPURHC-UHFFFAOYSA-N 433.580 3.803 0 40 IHAB CCOC(=O)c1c(NC(=O)[C@H]2COc3ccccc3O2)sc2c1CC(C)(C)NC2(C)C 8860078 PMFBTJZOTSGQOY-MRXNPFEDSA-N 444.553 3.863 0 40 IHAB CCCNc1nc(SC)nc2c1cnn2CCNC(=O)c1cccc(C(F)(F)F)c1 8940572 MGKUKEAKOMUMDD-UHFFFAOYSA-N 438.479 3.819 0 40 IHAB O=C(CN1CCc2ccccc2C1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 9097126 NWOHMZCYIHWHKW-UHFFFAOYSA-N 447.988 3.511 0 40 IHAB COc1ccccc1C(=O)N/C(=C\c1ccc2c(c1)OCO2)C(=O)NCc1ccccc1 9335024 VLGCBTDXYBZAHN-MOSHPQCFSA-N 430.460 3.511 0 40 IHAB CN(CC(=O)NCc1ccco1)C(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 9467768 PZWFTVNWTIFQEG-UHFFFAOYSA-N 434.521 3.837 0 40 IHAB Cc1ccc(-c2nc3scc(CCNC(=O)C(=O)Nc4cc(C)cc(C)c4)n3n2)cc1 9568966 WWLNWQLLJBJQPY-UHFFFAOYSA-N 433.537 3.680 0 40 IHAB COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CCN(c2cccc(C)c2)[C@@H](C)C1 9646416 JSLMRIYVNSOUSU-INIZCTEOSA-N 444.578 3.896 0 40 IHAB C[C@H]1CN(C(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)C[C@H](C)O1 9669931 IQAHZRPQJKXQHT-GJZGRUSLSA-N 443.960 3.711 0 40 IHAB Cc1ccc(NC(=O)CS[C@H](C)C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)cc1 9709340 JHOXSGSFOHNMPK-OAHLLOKOSA-N 436.541 3.682 0 40 IHAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NC3CC(C)(C)NC(C)(C)C3)c2)cc1 9816364 IETNCYZQDAAJLS-UHFFFAOYSA-N 443.613 3.859 0 40 IHAB COc1ccc(-c2nnc(O)c3c2[C@@H](c2ccc(C(C)(C)C)cc2)n2nnnc2N3)cc1 10295479 BJNXBMRAOTVHNQ-HXUWFJFHSA-N 429.484 3.837 0 40 IHAB O=C(NCc1ccc(S(=O)(=O)N2CCCC2)s1)C(c1ccccc1)c1ccccc1 10774814 AASDNOPDQSAMIE-UHFFFAOYSA-N 440.590 3.981 0 40 IHAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)CC1=O 11748713 HQVSFQXAJBMQFL-HNNXBMFYSA-N 441.915 3.775 0 40 IHAB O=C(Nc1ccc2c(c1)N(S(=O)(=O)c1cccs1)CCC2)c1ccc2c(c1)OCO2 12342544 IKROTLDDTRJFTH-UHFFFAOYSA-N 442.518 3.871 0 40 IHAB O=C(CCCc1c[nH]c2ccccc12)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 12595473 VVZQZLGTPPELLW-UHFFFAOYSA-N 448.567 3.803 0 40 IHAB CCCCN1C(=O)C[C@H](C(=O)N(C)Cc2ccc3c(c2)OCO3)[C@@H]1c1ccc(OC)cc1 12686732 HUHHLGYMPHGKQU-RDPSFJRHSA-N 438.524 3.772 0 40 IHAB CC1CCN(CCCNC(=O)Cn2cnc3scc(-c4ccc(F)cc4)c3c2=O)CC1 12737757 YIWKVYGUGRLWJH-UHFFFAOYSA-N 442.560 3.502 0 40 IHAB Cc1cccc(C)c1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 12769184 VLTWIHCTQBXHBG-QGZVFWFLSA-N 438.553 3.846 0 40 IHAB O=C(OCc1nc(-c2ccccc2)no1)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 12789071 GODKIMFOSNAPDL-JQZCCEMDSA-N 435.524 3.987 0 40 IHAB CCc1ccc(N(C(=O)c2csnn2)[C@@H](C(=O)NC2CCCC2)c2cccnc2)cc1 12869645 GJHFTRBYXPGUOB-OAQYLSRUSA-N 435.553 3.942 0 40 IHAB CCC(C)(C)NC(=O)c1ccc2c(c1)N(CC(=O)N1[C@@H](C)CCC[C@H]1C)C(=O)C(C)(C)O2 12875926 BFPYZXQKYGYYHN-CALCHBBNSA-N 443.588 3.899 0 40 IHAB O=C(Nc1ccc(OCC(F)(F)F)cc1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 12924301 NOQHCUJRNJFIHL-CYBMUJFWSA-N 448.488 3.729 0 40 IHAB COC(=O)c1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)c1 13632831 JMHQVWLHNIGVJM-UHFFFAOYSA-N 430.526 3.599 0 40 IHAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2Cc3ccccc3C[C@H]2C(N)=O)cc1 14021452 IUHDDOUGTNFYRL-DEOSSOPVSA-N 436.515 3.900 0 40 IHAB CCn1c2ccccc2c2cc(NC(=O)c3cc(OC)c(OCC(N)=O)c(OC)c3)ccc21 15512374 QDMLSMLOTIHNMI-UHFFFAOYSA-N 447.491 3.948 0 40 IHAB COc1cc(CN2CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)cc2c1OCO2 19081835 ZSDHGEOVOSZXSC-XMSQKQJNSA-N 439.556 3.935 0 40 IHAB CC(C)C(=O)N1CCC(c2nc(O)cc([C@H]3CCCN(C(=O)C4CCCCC4)C3)n2)CC1 19085272 KJTVYGLHPMVMBU-FQEVSTJZSA-N 442.604 3.831 0 40 IHAB COc1ccc(CC(=O)N2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2cc(C)no2)cc1 19121843 JMBSMJXSVWUUFI-HXUWFJFHSA-N 435.528 3.811 0 40 IHAB Cc1cnc(C(=O)N2CCc3nc(-c4ccncc4)nc(Oc4ccc(F)cc4)c3C2)cn1 19238933 JKBRXTNBTSRBCG-UHFFFAOYSA-N 442.454 3.767 0 40 IHAB CCOc1ccccc1C(=O)N1CCC[C@H]1c1nn(C)cc1-c1ccnc(N2CCCC2)n1 19520070 WBTDGEHQPFZLSU-NRFANRHFSA-N 446.555 3.853 0 40 IHAB COc1cc(C)ccc1CN1CCC[C@@H]1c1nc(N(C)C)ncc1-c1ccc(C(N)=O)cc1 19689776 JQQHBIQYOYZUNJ-JOCHJYFZSA-N 445.567 3.963 0 40 IHAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](c2ccc(Cc3cccc(F)c3)cn2)C1 19690180 ZFMNDUBGMHSNTJ-LJQANCHMSA-N 428.533 3.720 0 40 IHAB Cc1nc([C@@H]2CCCN2C(=O)c2cccnc2)nc2c1CCC(=O)N2Cc1cccc(F)c1 19696380 QYJFIDPSBLNWPE-NRFANRHFSA-N 445.498 3.776 0 40 IHAB O=C(CCN1CCc2ccccc21)N1CCC(c2ccc(C(=O)N3CCCCC3)cn2)CC1 19705857 BKHDISKFWPJSTC-UHFFFAOYSA-N 446.595 3.867 0 40 IHAB Cc1ccccc1NC(=O)c1cc2ccccc2o/c1=N\NS(=O)(=O)c1ccccc1 20323505 IJFBCGLJZVMDAF-BZZOAKBMSA-N 433.489 3.788 0 40 IHAB CC[C@@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1Cl)C(=O)OC 20721352 JLTFFELJKDPHEW-VOZBZGINSA-N 439.343 3.961 0 40 IHAB Cc1ccsc1CN(C(=O)C1=C(c2ccccc2)SCCO1)[C@@H]1CCS(=O)(=O)C1 20728582 IWGFWEMJILFWJB-QGZVFWFLSA-N 449.619 3.704 0 40 IHAB Cc1ccc2c(CN3C(=O)N[C@@](C)(c4ccc5c(c4)OCCCO5)C3=O)cc(=O)oc2c1C 22429264 BTQGVGFJSMVNQX-VWLOTQADSA-N 448.475 3.538 0 40 IHAB COC(=O)c1c(NC(=O)Cn2cnc3sc(C)c(C)c3c2=O)sc2c1CC[C@@H](C)C2 22739181 GGLKHMWENUVPEC-SNVBAGLBSA-N 445.566 3.686 0 40 IHAB COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cc(C4CC4)on3)ccc2OC)cc1 25082655 MFIASAXBXDLYNW-UHFFFAOYSA-N 443.481 3.622 0 40 IHAB Cc1c(C(=O)NCc2ccccc2Cn2ccnc2)sc2nc3n(c(=O)c12)CCCCC3 25666092 FTZBEBJQRQSDEI-UHFFFAOYSA-N 447.564 3.668 0 40 IHAB C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccc(-n2cncn2)cc1 26065681 ARDYAPOHVHDSDP-UTKZUKDTSA-N 435.528 3.581 0 40 IHAB NC(=O)c1c(NC(=O)c2ccc(COc3ccc4c(c3)OCO4)o2)sc2c1CCCC2 28228132 YMUQRWLOHJIZSC-UHFFFAOYSA-N 440.477 3.879 0 40 IHAB O=C(Nc1nc2ccc(OC(F)(F)F)cc2s1)[C@H](Cc1ccccc1)n1cnnn1 36357465 XSNDQEMGTHFQRG-AWEZNQCLSA-N 434.403 3.604 0 40 IHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 38772303 DSHVAPNHCFGNRH-GOSISDBHSA-N 447.538 3.749 0 40 IHAB C[C@H](Sc1nc(CN2CCOCC2)nc2ccccc12)C(=O)NC1CCCCCC1 40024550 GBJDOOITFBHIGJ-KRWDZBQOSA-N 428.602 3.782 0 40 IHAB C[C@H]1CCCC[C@@]12NC(=O)N(CCC(=O)Nc1ccccc1C(=O)c1ccccc1)C2=O 40025002 BTBJYRVOIKYQLH-SSOJOUAXSA-N 433.508 3.747 0 40 IHAB CCc1ccccc1Nc1nc(N)nc(CSCC(=O)N2CCc3sccc3C2)n1 40051412 MFVMLDCHEBZHHT-UHFFFAOYSA-N 440.598 3.639 0 40 IHAB O=C(CCN1CCO[C@@H](c2ccc(Cl)cc2)C1)Nc1ccc(N2CCOCC2)cc1 40154720 OXHCSCDXYMPQLT-JOCHJYFZSA-N 429.948 3.579 0 40 IHAB CS(=O)(=O)N1CC[C@@H](C(=O)Nc2ccc(OC3CCCC3)cc2)Oc2ccccc21 44917380 MSBIRWFAPMRTJK-NRFANRHFSA-N 430.526 3.564 0 40 IHAB Cc1ccc([C@H](C)NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c(C)c1 44935114 APIAPGCFGYCOCB-YWZLYKJASA-N 436.961 3.751 0 40 IHAB Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)nnn1-c1nc(-c2ccccc2)cs1 49032519 FGQCUKPMHOHFLE-UHFFFAOYSA-N 448.527 3.801 0 40 IHAB CN(CCCNC(=O)Nc1ccccc1Oc1ncc(Cl)cc1Cl)S(C)(=O)=O 58133664 PKJCFYMRDALXCC-UHFFFAOYSA-N 447.344 3.584 0 40 IHAB CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)Cc1cc(=O)oc2c(C)c(C)ccc12 58167028 WIHHBRRHBMIBSS-UHFFFAOYSA-N 449.507 3.686 0 40 IHAB Cc1cccc(Nc2nnc(SCC(=O)Nc3nnc([C@@H]4CCCO4)o3)s2)c1C 58305021 NUDRWWMOTBSLBY-ZDUSSCGKSA-N 432.531 3.864 0 40 IHAB CCN1CCc2nc(-c3ccc(F)cc3)n(CC(=O)Nc3ccc(C)cc3F)c(=O)c2C1 62007158 NSARSVXDLOXWFY-UHFFFAOYSA-N 438.478 3.514 0 40 IHAB O=C(Cn1c(=O)cc(-c2nc(C3CC3)no2)c2ccccc21)N1CCCc2ccccc21 67317890 RXVBLQZXCOIZTI-UHFFFAOYSA-N 426.476 3.908 0 40 IHAB Cc1ccccc1C(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3ccccc3)[C@@H]2CO)cc1 72321106 PVUVWEKNDFHOOZ-ILBGXUMGSA-N 430.504 3.708 0 40 IHAB biogenic,in-vitro Cc1cc(C(F)F)n2ncc(C(=O)N3CCC(c4ncncc4-c4ccncc4)CC3)c2n1 72334740 WOTXDMQLZGIGNY-UHFFFAOYSA-N 449.465 3.847 0 40 IHAB COc1ccc(C)cc1CC(=O)N1CCN(C)C(=O)[C@@H]1Cc1cccc(-c2ccncc2)c1 72351683 SWEJNUSZLWRBAB-DEOSSOPVSA-N 443.547 3.520 0 40 IHAB COc1ccccc1C(=O)N1CCC[C@](Cc2cc(-c3ccccc3)no2)(C(=O)N(C)C)C1 72395991 FSULBIDZCRXDCP-AREMUKBSSA-N 447.535 3.904 0 40 IHAB COc1ccc([C@H]2[C@@H](C(=O)NCC(=O)c3ccccc3)c3ccccc3C(=O)N2C)cc1 95478412 OYZDWPYZUCVBHO-ZEQRLZLVSA-N 428.488 3.605 0 40 IHAB CCOC(=O)[C@@]12CCCN(C(=O)OC(C)(C)C)[C@@H]1CN(C(=O)OCc1ccccc1)C2 95740394 XFMGXILBCVSCBO-WZONZLPQSA-N 432.517 3.588 0 40 IHAB O=C(c1ccc(-c2ccncc2)cc1)N1CCC[C@]2(COCCN(c3cccnc3)C2)C1 96076469 OQNZWSMBFFVSIT-AREMUKBSSA-N 428.536 3.903 0 40 IHAB CCN1CC[C@@]2(CN(CC(C)C)CC23CCN(C(=O)c2cc(C)cc(C)c2)CC3)C1=O 96262767 NCUDUBSHIGYWNB-AREMUKBSSA-N 425.617 3.736 0 40 IHAB CC[C@@H](C(=O)Nc1cc(C(=O)OC)ccc1Cl)N(c1cccc(C)c1)S(C)(=O)=O 220510771 AMEHLQDUAJQGEK-SFHVURJKSA-N 438.933 3.618 0 40 IHAB CC[C@H](C(=O)Nc1ccccc1C(=O)NC(C)C)N(c1cc(C)ccc1C)S(C)(=O)=O 220541681 IYGNIBDRYDSZMQ-HXUWFJFHSA-N 445.585 3.625 0 40 IHAB CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(Br)cc1 223669588 HQQFYWOSGCIAEN-INIZCTEOSA-N 433.346 3.690 0 40 IHAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)COc1ccc(OC)cc1 223809333 AXYYCZWBENCDJE-QFIPXVFZSA-N 430.520 3.937 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(N3CCCCC3)cc2)cc1C(=O)N1CCCC1 224956324 XPFHZAMXVPRIJL-UHFFFAOYSA-N 443.569 3.722 0 40 IHAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1cc(OC)cc(OC)c1 225039677 BPXVAMDPLWDQHK-RTBURBONSA-N 442.556 3.723 0 40 IHAB CC[C@H](C(=O)Nc1nnc(SC(C)C)s1)N(c1cc(C)ccc1C)S(C)(=O)=O 225594899 SDJOYZRNTDUCBR-CQSZACIVSA-N 442.632 3.839 0 40 IHAB COc1ccccc1N1CCN(C(=O)CCc2nc(-c3cccc(Cl)c3)no2)CC1 225809319 IAGHDZPTZJUVIL-UHFFFAOYSA-N 426.904 3.680 0 40 IHAB COc1ccccc1-n1c(C[C@@H]2CCCN(C(=O)Nc3ccccc3Cl)C2)n[nH]c1=O 252570783 XECXZYIKWZTCSJ-HNNXBMFYSA-N 441.919 3.709 0 40 IHAB CCn1cc(S(=O)(=O)N2CC[C@H](c3cc(Nc4cccc(F)c4)cc(C)n3)C2)c(C)n1 257215815 CRTYFVUDNODSKX-KRWDZBQOSA-N 443.548 3.976 0 40 IHAB Cc1ccccc1NC(=O)CCC(=O)OCC(=O)Nc1ccc(C(=O)OCC(C)C)cc1 408663857 OZZRXFUIIICRJB-UHFFFAOYSA-N 440.496 3.708 0 40 IHAB CCOc1cc(/C=C2/NC(=O)N(C)C2=O)cc(Cl)c1OCc1ccc(C(=O)O)cc1 409189841 JGELWCLPRKPWII-CXUHLZMHSA-N 430.844 3.538 0 40 IHAB O=C(CCc1ccccc1Cl)N1CCCCc2ccccc2OC[C@@H](O)[C@@H](O)CC1 643576485 LYVLPRBHRYWKKG-FCHUYYIVSA-N 431.960 3.628 0 40 IHAB CCC(=O)N1c2ccc(S(=O)(=O)N(C(=O)CC)c3cccc(OC)c3)cc2C[C@@H]1C 2049305461 BYRQJLNBMXIVRD-HNNXBMFYSA-N 430.526 3.515 0 40 IHAB CCN1C[C@H]2C3(CCN(Cc4cccc(OC)c4)CC3)CC[C@@]2(C(=O)N2CCCC2)C1 2055796177 LCBBAKPHNGVGRQ-JYFHCDHNSA-N 425.617 3.632 0 40 IHAB COc1ccc(CCNC(=O)CSc2nnc(-c3c[nH]c4ccccc34)o2)cc1OC 1332880 XMXZEWAKBMFSGF-UHFFFAOYSA-N 438.509 3.686 0 40 IHAB COc1ccc(C(=O)N(Cc2cccnc2)Cc2cc3cc(C)ccc3n3nnnc23)cc1 1367176 OMDNZUGHYQICCY-UHFFFAOYSA-N 438.491 3.832 0 40 IHAB COCCOC(=O)c1c(N)n(-c2ccc(Br)cc2)c2nc3ccccc3nc12 2330894 MFXYBSUOEZHPPE-UHFFFAOYSA-N 441.285 3.722 0 40 IHAB COc1cc(NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccco2)cc(OC)c1 2409394 GWQIWMOKFMTYJN-UHFFFAOYSA-N 440.481 3.927 0 40 IHAB CC(C)COc1cccc(OCC(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c1 3196838 JMSMKIHCYHUKND-UHFFFAOYSA-N 434.539 3.752 0 40 IHAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1nc(-c2ccccc2)c(C)s1 3398834 LWYCEQPVFRQROI-IBGZPJMESA-N 441.578 3.834 0 40 IHAB COCCn1c(SCC(=O)NC2CCCC2)nnc1-c1cc2ccccc2cc1O 6905370 RTCFUCYTTUAIMQ-UHFFFAOYSA-N 426.542 3.601 0 40 IHAB CCOc1ccc2nc(SCC(=O)N3CCc4cc(OC)c(OC)cc4C3)[nH]c2c1 8719812 NKZLTRXBRZKNAJ-UHFFFAOYSA-N 427.526 3.656 0 40 IHAB CC(C)[C@H](NC(=O)N1CC(O)=Nc2ccccc21)C(=O)NCCc1c[nH]c2ccccc12 8769398 NECKCAQRKTUACT-QFIPXVFZSA-N 433.512 3.669 0 40 IHAB biogenic O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)Nc1ccc(Oc2ccccc2)cc1 8777478 JDYTXTVWTRMCEZ-VWLOTQADSA-N 443.459 3.647 0 40 IHAB CCOC(=O)Cn1c([C@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)nc2ccccc21 8871488 GJGJZLASQBKEMZ-AWEZNQCLSA-N 427.888 3.782 0 40 IHAB COc1cc(NC(=O)[C@H]2CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)cc(OC)c1 8990177 JVHCISVJJYXOJV-SFHVURJKSA-N 435.524 3.995 0 40 IHAB O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2F)c2ccccc21)c1ccc2c(c1)OCCO2 8995534 JFEAFFONOQIWPJ-VWLOTQADSA-N 433.435 3.604 0 40 IHAB O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1ccc(I)cn1 9016169 FNUBPOSFNDLXER-FPYGCLRLSA-N 443.697 3.866 0 40 IHAB COCCNC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 9062695 YGPULYNRUOHVRT-UHFFFAOYSA-N 429.948 3.567 0 40 IHAB CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1nnc(C2CC2)s1 9302602 VDLRTRCFEACPHQ-UHFFFAOYSA-N 444.586 3.954 0 40 IHAB COc1ccc(OC)c(NC(=O)CSc2ccc3nnc(-c4ccc(F)cc4)n3n2)c1 9414951 VTMPCHKHQMIKRB-UHFFFAOYSA-N 439.472 3.678 0 40 IHAB Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)NCc1ccco1 9426717 LJSPRIUHHINACH-UHFFFAOYSA-N 434.901 3.737 0 40 IHAB Nc1c(C(=O)NCc2ccccc2Cl)c2nc3ccccc3nc2n1C[C@@H]1CCCO1 9462163 HHJQIWBPCDOHAB-HNNXBMFYSA-N 435.915 3.929 0 40 IHAB Cc1ccccc1Nc1nc(N)nc(CSc2nnc(-c3ccncc3)n2C2CC2)n1 9468950 KSEMQYKYORJYOJ-UHFFFAOYSA-N 431.529 3.787 0 40 IHAB O=C(O)[C@H]1CCCN(C(=O)COc2cc3oc(=O)cc(-c4ccccc4)c3cc2Cl)C1 9476605 JFCAPVQCHRVKMT-HNNXBMFYSA-N 441.867 3.815 0 40 IHAB CCc1nnc2sc(-c3ccc(C)c(NC(=S)NC(=O)c4cccs4)c3)nn12 9480694 FKEIYHAJYNJYJA-UHFFFAOYSA-N 428.568 3.912 0 40 IHAB Cc1ccc(-n2c(N)cc(=O)nc2SCC(=O)Nc2nc3ccc(C)cc3s2)cc1 9518797 PRLCLMDEODNVLN-UHFFFAOYSA-N 437.550 3.772 0 40 IHAB O=C(COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1)NC1CCCCCC1 9540539 KMHCZNHHUSTUTR-QHCPKHFHSA-N 434.536 3.636 0 40 IHAB Cc1cc(C)c(NC(=O)CSc2nnc(-c3cc(-c4ccccc4)n[nH]3)n2N)c(C)c1 9540954 GMHIOYXTADRVCC-UHFFFAOYSA-N 433.541 3.705 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1NC(=S)Nc1cccnc1 9561968 YHMFGXIRBMJXLQ-UHFFFAOYSA-N 444.538 3.709 0 40 IHAB Cc1cc(Br)ccc1NC(=O)c1cccn(OCc2ccccc2F)c1=O 9599682 JNICUICYQPFSLO-UHFFFAOYSA-N 431.261 3.939 0 40 IHAB CCS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3cc(OC)ccc3OC)cs2)c1 9707737 QDLRLVCQIFYFQP-UHFFFAOYSA-N 432.523 3.873 0 40 IHAB Cc1ccc(S(=O)(=O)NC[C@@H](c2cccs2)S(=O)(=O)c2ccc(F)cc2)cc1 9742343 TYTNKKMQDGZUTL-IBGZPJMESA-N 439.555 3.689 0 40 IHAB CCOc1ccc(CC(=O)Nc2ccc(-c3ccc(S(=O)(=O)CC)nn3)cc2)cc1 9787080 FBYOGQJWQMZOQY-UHFFFAOYSA-N 425.510 3.517 0 40 IHAB COc1ccc(N2C[C@H](C(=O)N[C@H](C)c3cccc(C(F)(F)F)c3)CC2=O)c(OC)c1 9885475 DSDPXVDQLAXLPP-UKRRQHHQSA-N 436.430 3.953 0 40 IHAB O=C(Nc1nc2c(s1)COc1ccccc1-2)[C@@H]1CCCN1S(=O)(=O)c1cccs1 10187024 PBBOIEAERAVXOD-ZDUSSCGKSA-N 447.563 3.556 0 40 IHAB CCN1C(=O)N[C@@H](c2cc(Br)ccc2OC)C(C(=O)Nc2cc(C)on2)=C1C 10353457 SVXQKQIAANFBFE-KRWDZBQOSA-N 449.305 3.753 0 40 IHAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 11067621 XQTWBTVXINTTNZ-CYBMUJFWSA-N 449.338 3.628 0 40 IHAB COc1ccc(CC(=O)Nc2cc(-c3cccs3)nn2-c2nc(C(C)C)cc(=O)[nH]2)cc1 11855625 XOHRIAZLEKGNKH-UHFFFAOYSA-N 449.536 3.997 0 40 IHAB CCCCCCNC(=O)CCc1nc2cc(S(=O)(=O)N3CCCC3)ccc2n1CCC 12520653 KDXVWXRTYZBLQW-UHFFFAOYSA-N 448.633 3.860 0 40 IHAB COC(=O)C1CCN(C(=O)CSc2nc3ccccc3n2-c2ccc(OC)cc2)CC1 12548166 USUQFMMRCCDSDA-UHFFFAOYSA-N 439.537 3.538 0 40 IHAB COc1cc(CNC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)ccc1OC(F)F 12793357 SUZVKKVVJCSNPG-UHFFFAOYSA-N 433.455 3.857 0 40 IHAB Cc1cc(C)c(S(=O)(=O)N2CCN(Cc3ncc(-c4ccc(F)cc4)o3)CC2)c(C)c1 12929535 JRYBDTZJRBRELN-UHFFFAOYSA-N 443.544 3.912 0 40 IHAB COc1ccc(Cl)cc1C(=O)Nc1nnc([C@H]2CC(=O)N(c3ccccc3)C2)s1 13944364 BANKKVOJSNWYCM-LBPRGKRZSA-N 428.901 3.973 0 40 IHAB CCOC(=O)c1sc(NC(=O)CN2CCCc3ccccc32)c(C(=O)OCC)c1C 14217222 SPFUSDRKNGFRIN-UHFFFAOYSA-N 430.526 3.801 0 40 IHAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 14250215 AUXXHHVUINNMMH-UHFFFAOYSA-N 442.585 3.804 0 40 IHAB CCc1ccc(S(=O)(=O)NCCc2csc3nc(-c4cccc(F)c4)nn23)cc1 15783978 BRQIVXFDWCZAGE-UHFFFAOYSA-N 430.530 3.680 0 40 IHAB C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC(c2nc(O)cc(-c3nccs3)n2)CC1 19078049 XGIOAQUUOCLEHE-ZDUSSCGKSA-N 428.489 3.618 0 40 IHAB Cc1ccsc1CN1CCc2nc([C@H]3CCCN3C(=O)C[C@H]3C=CCC3)[nH]c(=O)c2C1 19238676 PMNWPCUMKYGKHY-FXAWDEMLSA-N 438.597 3.718 0 40 IHAB CN1CCN(Cc2nc3ccccc3n2C)C[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O 19289949 JGPDIKREOHHLII-QHCPKHFHSA-N 439.563 3.768 0 40 IHAB CC(C)n1cc(C(=O)N2CC[C@@](Cc3cccc(-c4ccncc4)c3)(C(=O)N(C)C)C2)cn1 19454837 AMTXMOUBSVGFOV-SANMLTNESA-N 445.567 3.689 0 40 IHAB CCCN1CCN(C(=O)c2cn(C)cn2)C[C@@H](Cc2ccccc2-c2ccc(C)cc2)C1=O 19503155 CKZZVYKDCDTOEN-HSZRJFAPSA-N 444.579 3.949 0 40 IHAB Cc1nn(C)cc1CN1CC[C@H]2[C@@H](C1)[C@H](c1ccc(F)cc1)CN2C(=O)c1ccccc1 19583885 MMQDWIPGABPZTG-SDHOMARFSA-N 432.543 3.998 0 40 IHAB Cc1ncc(CN2CCC(c3nc(C)c4c(n3)N(Cc3ccccn3)C(=O)CC4)CC2)s1 19739368 ILJIQNXUIYTXHA-UHFFFAOYSA-N 448.596 3.804 0 40 IHAB COCc1ccc(OC)c(CN2CCC[C@H](c3ncc(C(=O)N4CCCC4)c(C)n3)C2)c1 19762979 UNIQAUQVVVOMSM-FQEVSTJZSA-N 438.572 3.556 0 40 IHAB CCCc1cc(C(=O)N2CCC[C@@H](c3ncc(C(=O)NCc4ccccc4)c(C)n3)C2)no1 19763512 XZNSGWIEBFVSOR-LJQANCHMSA-N 447.539 3.675 0 40 IHAB COC(=O)[C@@H](N[C@@H]1C2=C(CCCC2)C(=O)N1Cc1ccc(F)cc1)c1cccc(OC)c1 19798068 YAFVFQOVUCDTMT-GOTSBHOMSA-N 438.499 3.877 0 40 IHAB Cc1cccc(N2CCN(C(=O)Cc3cnc(-c4ccc(Cl)cc4)[nH]c3=O)CC2)c1C 19937721 HYAWIJIZWKKRID-UHFFFAOYSA-N 436.943 3.598 0 40 IHAB O=c1c2c3c(sc2nc(SCCN2CCOCC2)n1-c1ccccc1F)CCCC3 21225159 QPOJFLBWBNPOMY-UHFFFAOYSA-N 445.585 3.889 0 40 IHAB O=C(COC(=O)c1cc(C2CC2)nc2ccccc12)Nc1ccccc1C(=O)NC1CC1 21439593 JNFDPDZETGVAOF-UHFFFAOYSA-N 429.476 3.800 0 40 IHAB COCCCNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(OC)cc1 21456070 RYZORYUPLDSWBS-UHFFFAOYSA-N 446.960 3.841 0 40 IHAB Cc1nnc2sc(-c3ccccc3NC(=O)COc3ccc(Br)cc3)nn12 21595655 WRKWAHADOMMRER-UHFFFAOYSA-N 444.314 3.941 0 40 IHAB Cn1c(=O)c2ccccc2n2c(CSc3nc(C(F)(F)F)nc4ccccc34)nnc12 22249354 OCVYOVZAICCKJF-UHFFFAOYSA-N 442.426 3.836 0 40 IHAB CCCOc1ccccc1CCCNC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 22330963 JIKPPRRYMOQHBE-UHFFFAOYSA-N 438.977 3.644 0 40 IHAB Cc1cc(-n2c(C)cc(/C=C/C(=O)NC[C@@H](c3cccs3)N3CCOCC3)c2C)no1 23200071 OPBPBLZVRMCIHB-YJJPMGAVSA-N 440.569 3.655 0 40 IHAB Cc1ccc(N2C(=O)/C(=C\NCC(C)(C)N3CCOCC3)c3ccccc3C2=O)cc1C 23486477 SIIZUNMXSUJRIK-KQWNVCNZSA-N 433.552 3.532 0 40 IHAB O=C(c1ccccc1Nc1ccccc1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 23541735 CLDPVXORLXZVNF-DEOSSOPVSA-N 443.503 3.555 0 40 IHAB CSc1ccc(CN(C)C(=O)CN2C(=O)N[C@@](C)(c3cccc4ccccc34)C2=O)cc1 23909123 ZRCUQWGDMFFAGB-VWLOTQADSA-N 447.560 3.987 0 40 IHAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)C[C@@H]1c2ccccc2C=CN1C(C)=O)CC3 25453713 DJHLUAGIPJWDID-XMMPIXPASA-N 443.503 3.803 0 40 IHAB O=C(Nc1cccnc1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 26110042 AXOQFSBGDWZLPG-CQSZACIVSA-N 428.341 3.569 0 40 IHAB CCCNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 27398533 IWVDDGWARDXVDJ-AWEZNQCLSA-N 444.329 3.581 0 40 IHAB C[C@@H]1CCCN(Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)C1 30854613 PGSCGGPNZHFDNA-LJQANCHMSA-N 441.597 3.955 0 40 IHAB COCc1c(C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@@H]2CCCO2)oc2ccccc12 32983188 AQLGXSTURGNGFD-INIZCTEOSA-N 447.491 3.637 0 40 IHAB CC[C@H](C)NC(=O)CCn1c(=O)c2ccccc2n2c(SCc3ccc(C)cc3)nnc12 33292038 BOCFKTMAXRZFDS-KRWDZBQOSA-N 449.580 3.950 0 40 IHAB Cc1ccc2cc(CN(C[C@@H]3CCCO3)C(=O)Nc3cccc(F)c3)c3nnnn3c2c1 35290977 DBVGGVOFAMIFOA-FQEVSTJZSA-N 434.475 3.938 0 40 IHAB O=C(c1ccccc1)[C@@H]1[C@]2(C(=O)Nc3ccccc32)N2CCC[C@H]2[C@@]12C(=O)Nc1ccccc12 35361864 VIMCJHGKXMIUOX-YRLQWRJRSA-N 449.510 3.701 0 40 IHAB biogenic CC[C@@H](C(=O)N[C@H](C)c1ccc(OC)c(OC)c1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 36107374 XHKBJCLZITYQER-XLIONFOSSA-N 448.585 3.743 0 40 IHAB CCOc1cc([C@@H]2C(C(=O)Nc3ccccc3OCC)=C(C)Nc3ncnn32)ccc1O 40485084 PSKSQFXSYXWXOR-OAQYLSRUSA-N 435.484 3.709 0 40 IHAB CCc1nc(-c2ccc(N3CCN(C(=O)c4ccc(Cl)cc4Cl)CC3)nc2)no1 44094542 RJMLJNUSUDXMET-UHFFFAOYSA-N 432.311 3.963 0 40 IHAB O=C(Cn1c(=O)cc(-c2nc(-c3cccnc3)no2)c2ccccc21)Nc1ccc(F)cc1 67318390 ILKKGSIWLMYOFY-UHFFFAOYSA-N 441.422 3.891 0 40 IHAB COC(=O)c1ccc(C(=O)N2CCC[C@H](c3cc(C(F)(F)F)n4nc(C)cc4n3)C2)cc1 72340937 WCYKYFQGVHXASI-INIZCTEOSA-N 446.429 3.863 0 40 IHAB CCOC(=O)C1(Cc2cc(-c3ccc(F)cc3)no2)CCN(Cc2cncn2C)CC1 72393953 XNIYMJGYFSNHDW-UHFFFAOYSA-N 426.492 3.602 0 40 IHAB CCN(CC(=O)Nc1ccccc1OC)C(=O)[C@@H](CNC(=O)OC(C)(C)C)CC(C)C 79056726 URNIHNSOAVPIAN-QGZVFWFLSA-N 435.565 3.669 0 40 IHAB Cc1cc(=O)c(C(=O)N2c3ccccc3C[C@H]2C(=O)OC(C)(C)C)nn1-c1ccccc1F 84072163 FPYBGTPWDCMIAN-FQEVSTJZSA-N 449.482 3.593 0 40 IHAB O=C(CN1CCOCC1)Nc1ccc(Br)cc1C(=O)c1ccc(Cl)cc1 95946360 RFDDEURCWZQTDV-UHFFFAOYSA-N 437.721 3.604 0 40 IHAB CC(C)Sc1ccc(CC(=O)NCCn2nc(-c3cccs3)n(C3CC3)c2=O)cc1 96096647 DXXRHVYVCVLMIS-UHFFFAOYSA-N 442.610 3.968 0 40 IHAB Cc1cnc(-c2nnc([C@H]3CC[C@H](CNC(=O)COc4ccc(F)cc4F)CC3)o2)cn1 100156227 UMNMUOWFJQZNJE-GASCZTMLSA-N 443.454 3.582 0 40 IHAB COc1ccc(N(CC(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)S(=O)(=O)c2ccccc2)cc1Cl 100332241 CBSNBPLOBXMTNW-QINHECLXSA-N 448.972 3.849 0 40 IHAB CCOc1ccc2c(c1)s/c(=N\C(=O)c1ccccc1Br)n2CC(=O)OC 100877130 UHOYBAPBACAWMB-VZCXRCSSSA-N 449.326 3.778 0 40 IHAB CCOc1ccc(N(CCCC(=O)NCc2cccc(OC(C)C)c2)S(C)(=O)=O)cc1 113962759 KJCRDODCXDTVSF-UHFFFAOYSA-N 448.585 3.735 0 40 IHAB CCOc1ccc(CCCNC(=O)CCCN(c2ccc(C)cc2)S(C)(=O)=O)cc1 219628627 DFXFUMFAESLCCQ-UHFFFAOYSA-N 432.586 3.689 0 40 IHAB CCOc1ccccc1CCCNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 219984363 MTQZFYYODZZLBK-UHFFFAOYSA-N 430.570 3.623 0 40 IHAB CC[C@@H](C(=O)Nc1ccc(OC)cc1OC)N(c1cc(Cl)ccc1C)S(C)(=O)=O 220710020 AQJUDAHYRGCURY-KRWDZBQOSA-N 440.949 3.849 0 40 IHAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccn(C3CCCC3)c2)N1CCCN1CCOCC1 223205434 XKEQTNODISKDMT-XZOQPEGZSA-N 439.629 3.693 0 40 IHAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN(C)C)c(C)n1Cc1cccnc1 223214530 KSJOLIBERDZLRV-BJKOFHAPSA-N 448.640 3.867 0 40 IHAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN(C)C)c(C)n1Cc1cccnc1 223214592 KSJOLIBERDZLRV-ZEQRLZLVSA-N 448.640 3.867 0 40 IHAB CCOc1ccc(N(CC(=O)NCC2=CCCCC2)S(=O)(=O)c2ccccc2)cc1 223491617 VAYATCPXDLEHCE-UHFFFAOYSA-N 428.554 3.897 0 40 IHAB CC(C)c1ccccc1OCCNC(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 223785228 CIWRXUAFNQIBQU-UHFFFAOYSA-N 432.586 3.895 0 40 IHAB Cc1ccc(CCC(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C 224420526 NLXBNKDOYXSBKK-UHFFFAOYSA-N 444.597 3.606 0 40 IHAB c1ccc(COc2ccccc2CN2CCOC[C@H](Cc3cn4ccnc4cn3)C2)cc1 257231245 GFXLOLKBROCMOA-JOCHJYFZSA-N 428.536 3.999 0 40 IHAB COc1cccc(Cc2cccc([C@@H]3CN(C(=O)c4[nH]nc5c4CCCCC5)CCO3)n2)c1 257337744 YUEGADAMVBJUSE-DEOSSOPVSA-N 446.551 3.887 0 40 IHAB C[C@H]1CCCN(c2cc(N3CCCC[C@H]3C)nc(NC(=S)NCc3cccnc3)n2)C1 260717703 PCRCNOAYMGOFDH-ZWKOTPCHSA-N 439.633 3.973 0 40 IHAB CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)cc(C)cc3C)C2)cc1 408550490 CWBAQVDTRNOYAP-LJQANCHMSA-N 443.569 3.610 0 40 IHAB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3cccs3)C(=O)c3ccccc3Cl)C(=O)[C@@H]2C1 408647560 JLTDXUGYTVWSIG-GOEBONIOSA-N 442.924 3.983 0 40 IHAB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1)Nc1cccc(Cl)c1 408653272 DXBJRDOTVSVSHD-KDURUIRLSA-N 438.867 3.591 0 40 IHAB Cc1cc(OC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)ccc1N1C(=O)CCC1=O 408665179 OMSVYTHMZTWSKP-SFHVURJKSA-N 442.471 3.760 0 40 IHAB COC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)c2ccccc2)cc1 408667536 VQTMITCHORFHOF-MOXQZVSFSA-N 435.476 3.500 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(C)c(C)c2)cc1 408669607 XHVMSKHCVWCGTE-UHFFFAOYSA-N 440.496 3.771 0 40 IHAB COC(=O)c1cccc(NC(=O)c2ccc(NC(=O)c3ccc(OC)c(OC)c3)cc2)c1 408683517 NAFZJAIKJISKFD-UHFFFAOYSA-N 434.448 3.995 0 40 IHAB O=C(c1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1)N1CCN(c2ccccn2)CC1 408980389 WDJDQHMJFJPKKH-UHFFFAOYSA-N 449.518 3.977 0 40 IHAB CCc1ccc(NC(=O)CSc2nnc([C@H](C)NC(=O)c3cccc(C)c3)n2C)cc1 409127652 FCOGEZMAZUAIIZ-INIZCTEOSA-N 437.569 3.908 0 40 IHAB CN1CC(=O)N(CCCC(=O)N2CCC(CCc3cccc(C(F)(F)F)c3)CC2)C1=O 517671292 WDYNIVNWMHHBIP-UHFFFAOYSA-N 439.478 3.551 0 40 IHAB O=C(NCc1cccnc1)[C@@H]1OC2(CCN(C(=O)c3ccsc3)CC2)c2ccccc21 585109610 DDCFHDDUUYFLNN-OAQYLSRUSA-N 433.533 3.662 0 40 IHAB Cc1ccc(C(=O)N2CCC[C@]3(CCCCc4ccccc4OCCN(C)C3=O)C2)cn1 643561385 ICAZYBOKPGOLCC-AREMUKBSSA-N 435.568 3.876 0 40 IHAB Cn1ncc(C(=O)NC[C@H]2CCCCCN2C(=O)OC(C)(C)C)c1Cc1ccccc1 1558711067 MIYIHKDHZFGETP-LJQANCHMSA-N 426.561 3.920 0 40 IHAB Cc1cc(C)cc(N(C(=O)c2csnn2)[C@H](C(=O)NC2CCCC2)c2cccnc2)c1 1357635 YWWVZKOZHYXICM-NRFANRHFSA-N 435.553 3.997 0 40 IHAB CCOc1cc(C(=S)N2CCOCC2)cc(Cl)c1OS(=O)(=O)c1ccccc1 2142355 UZRJZLLWKKVTGH-UHFFFAOYSA-N 441.958 3.514 0 40 IHAB COC(=O)c1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nnc(C)s2)cc1 2400545 CGMLYPMOYUVRPL-SFHVURJKSA-N 447.472 3.798 0 40 IHAB Cc1ccc(CNC(=O)COc2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 2637432 DWAKSVSMJMLSQE-UHFFFAOYSA-N 438.549 3.824 0 40 IHAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)Nc1ccc(N2CCOCC2)cc1 3240857 ZOPDVONXQCQSLW-UHFFFAOYSA-N 435.509 3.785 0 40 IHAB COc1ccc(-n2c(SCC(=O)N3CCOCC3)nnc2-c2ccccc2Cl)cc1 3492338 MWGLTRNVZKQSNU-UHFFFAOYSA-N 444.944 3.547 0 40 IHAB CNC(=O)NC(=O)[C@@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)c1ccccc1 3558139 FMGCUBWNTDRJTC-IBGZPJMESA-N 447.520 3.875 0 40 IHAB CCOC(=O)[C@H](C)Sc1nnc(CNC(=O)c2ccc(OC)cc2)n1C1CCCCC1 4034834 USBFEPXVZKJDSA-HNNXBMFYSA-N 446.573 3.766 0 40 IHAB CCc1cccc(CCc2ccccc2OC[C@H](CN(C)C)OC(=O)CCC(=O)O)c1 5956508 IBYPCZOGLBHBTO-QFIPXVFZSA-N 427.541 3.751 0 40 IHAB COc1ccc(-c2nnc3n(CCc4ccccc4)c(=O)c4ccccc4n23)c(OC)c1 8688070 HIGATEYZVFAQKO-UHFFFAOYSA-N 426.476 3.971 0 40 IHAB CCc1ccccc1-n1c(SC[C@H]2COc3ccccc3O2)nnc1N1CCOCC1 8724348 MWNMFQGTWNILTI-GOSISDBHSA-N 438.553 3.598 0 40 IHAB Cc1ccc(N2C[C@@H](C(=O)Nc3nnc(SCc4ccccn4)s3)CC2=O)cc1 8824644 LCERDRNIALASDL-AWEZNQCLSA-N 425.539 3.525 0 40 IHAB CCOCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1ccc(O)c(OCC)c1 8845285 LNTXPLMFUYWRMB-QHCPKHFHSA-N 437.496 3.858 0 40 IHAB CC(C)(C)C(=O)NCc1ccc(C(=O)CN2C(=O)NC3(CCCCCCC3)C2=O)s1 8855960 SVYHGIBVEPCAJU-UHFFFAOYSA-N 433.574 3.628 0 40 IHAB CC(C)(C)N1C(=O)[C@@H]2[C@@H]3C=Cc4ccccc4N3[C@H](C(=O)Nc3ccc(Cl)cc3)[C@@H]2C1=O 9060854 BMQUXFUCWHHGEN-BQJUDKOJSA-N 449.938 3.962 0 40 IHAB O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1ccc2c(c1)OCCO2 9128439 MPUHGMCSTZUESL-UHFFFAOYSA-N 436.917 3.538 0 40 IHAB O=C(Nc1nnc(SCc2ccccc2F)s1)c1nn(-c2ccccc2)ccc1=O 9130347 TUNMTTLGGXTJBU-UHFFFAOYSA-N 439.497 3.768 0 40 IHAB Cc1cc(C2=NN=C(Nc3cccc(S(=O)(=O)N(C)C)c3)SC2)c(C)n1C1CC1 9208764 NTOPCRJKKGWDJG-UHFFFAOYSA-N 431.587 3.609 0 40 IHAB Cc1ccc(NC(=O)c2sc3nc(CSc4nncn4C)[nH]c(=O)c3c2C)c(C)c1 9365802 PKZGLVLKAZCVGN-UHFFFAOYSA-N 440.554 3.583 0 40 IHAB Cc1sc2c(c1C)c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)Nc1ccccc1F 9599085 DOBOCSGZKOJVEN-UHFFFAOYSA-N 437.496 3.668 0 40 IHAB C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCC(C(=O)Nc2ccccc2O)CC1 10292879 TUUOARPHCFZPMZ-AWEZNQCLSA-N 447.329 3.799 0 40 IHAB Cc1cc(C(=O)COC(=O)c2ccccc2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O 10867976 XFIDZSIULVSEAH-UHFFFAOYSA-N 443.503 3.932 0 40 IHAB Cc1cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc(F)cc2)c(C)n1C[C@H]1CCCO1 11245156 DZRWXUASZQSHSJ-LAINMTBBSA-N 425.460 3.512 0 40 IHAB CC(C)c1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)c2cc(-c3ccccc3)on2)n1 12126681 IHQXGXLOLHETFR-UHFFFAOYSA-N 430.468 3.864 0 40 IHAB CCOC(=O)[C@@]1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCCN(C(=O)c2cccnc2)C1 12156766 YBJMGVQZGIFEOP-HYBUGGRVSA-N 439.487 3.590 0 40 IHAB O=C(CN1CC[C@@H]2CCCC[C@@H]2C1)N1C[C@@H](c2csnn2)[C@H](c2ccc(F)cc2)C1 12182841 YUFIVQLRNWVUCL-AGKXRFJRSA-N 428.577 3.899 0 40 IHAB COc1ccc2nc(-c3ccc(C)c(NS(=O)(=O)c4ccc(OC)c(F)c4)c3)cn2n1 12441328 CHMIMHFYSIASQQ-UHFFFAOYSA-N 442.472 3.662 0 40 IHAB Cc1cccc(N(CC(=O)NCc2ccc(F)cc2)C(=O)[C@H]2COc3ccccc3O2)c1C 12472270 HPMUEHFJBNNYBS-XMMPIXPASA-N 448.494 3.932 0 40 IHAB COc1cc(NC(=O)c2cccs2)c(C(=O)OCC(=O)NC2CCCCC2)cc1OC 12599575 BWZCNQKALIEWMJ-UHFFFAOYSA-N 446.525 3.623 0 40 IHAB COCCCn1c(=O)c2ccccc2n2c(S[C@H](C)C(=O)c3ccc(F)cc3)nnc12 12634514 NCRVSJGHFGREIP-CQSZACIVSA-N 440.500 3.583 0 40 IHAB COc1ccc(/N=c2\oc3c(OC)cccc3cc2C(=O)NC[C@@H]2CCCO2)c(OC)c1 12706068 CWZKGDIFKFYGIE-ZRZCPFIBSA-N 438.480 3.600 0 40 IHAB CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2Cc2ccccc2)cc1 12784353 YKXLZVKEDBYTSY-UHFFFAOYSA-N 436.533 3.739 0 40 IHAB Cc1[nH]c2ccccc2c1C(=O)N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 12788047 UJKJFZTUASPGOV-UHFFFAOYSA-N 425.554 3.746 0 40 IHAB CCOc1ccc(OCCC(=O)O[C@@H](C)C(=O)c2ccc3c(c2)CCN3C(C)=O)cc1 12814721 IUQFPBKLFWMOHG-INIZCTEOSA-N 425.481 3.578 0 40 IHAB C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1)c1ccc(-n2cncn2)cc1 12913542 PANVOYNHFHPEQS-YLJYHZDGSA-N 425.492 3.651 0 40 IHAB COc1ccc(CCNC(=O)COC(=O)C2c3ccccc3Oc3ccccc32)cc1OC 13134098 SUOVBSSBFBQYIG-UHFFFAOYSA-N 447.487 3.844 0 40 IHAB C[C@@H](OC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc(F)cc1Cl 13141020 HQQNXCVUPWFJDA-HCVBEMKVSA-N 436.911 3.682 0 40 IHAB COc1ccc(/C=C/C(=O)Nc2ccc(C)c(F)c2)cc1S(=O)(=O)N1CCCCC1 13149516 UYSATXXJZYKXRK-DHZHZOJOSA-N 432.517 3.969 0 40 IHAB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nc(SC)nn32)c1OC 13592439 KQKAZTKCPPYEAQ-GOSISDBHSA-N 437.525 3.945 0 40 IHAB Cc1ccc(C(=O)NCCCN2CCC(C)CC2)cc1NS(=O)(=O)c1ccccc1 13632285 CUJZAVYCSZRBSP-UHFFFAOYSA-N 429.586 3.648 0 40 IHAB C[C@H](NC(=O)CSc1nnc(Cc2ccccc2F)n1N)c1cccc2ccccc12 14077781 TVFJEYJBBSNKFQ-HNNXBMFYSA-N 435.528 3.845 0 40 IHAB Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)cc1 14104777 WXVJTQABXRHJBF-HNNXBMFYSA-N 437.359 3.797 0 40 IHAB CCn1c(SCC(=O)Nc2cc(C(=O)OC)ccc2Cl)nnc1-c1ccncc1 14152528 VVFJSROWYUAUBA-UHFFFAOYSA-N 431.905 3.531 0 40 IHAB CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)Cn1cnc2ccccc2c1=O 15647856 RULCLKRWHIVHHU-UHFFFAOYSA-N 447.322 3.581 0 40 IHAB COc1ccc(C(=O)Nc2nc(CC(=O)Nc3cc(OC)ccc3OC)cs2)cc1 15881015 HKWUAUIFZCEVAP-UHFFFAOYSA-N 427.482 3.602 0 40 IHAB Cc1cc(C)n(-c2nc(-c3ccccc3)cc(=O)n2CC(=O)N2CCCc3ccccc32)n1 15882740 MOQIEUOEEPFUAR-UHFFFAOYSA-N 439.519 3.692 0 40 IHAB Cc1ccc(-n2c(=S)sc3c(=O)[nH]c(SCC(=O)NC4CCCC4)nc32)cc1 16840463 OEHMSFPGJVAYDQ-UHFFFAOYSA-N 432.596 3.964 0 40 IHAB O=C(Nc1ccncc1)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 17583971 COUUSBJCCVDILP-UHFFFAOYSA-N 447.866 3.793 0 40 IHAB CCN(Cc1ccc2c(c1)OCO2)C(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 17802450 VUFKSZWWHAJLKI-UHFFFAOYSA-N 439.537 3.573 0 40 IHAB O=C(c1cc(-c2ccncc2)c2cnccc2n1)N1CCN(CCOc2ccccc2)CC1 19373523 ZCRXHEYDJIDEHO-UHFFFAOYSA-N 439.519 3.529 0 40 IHAB Cc1cc(C)n(Cc2ccc(C(=O)N3CCC[C@H](c4nc(-c5cccnc5)no4)C3)o2)n1 19574460 ZUQZFIAKCSUYPX-SFHVURJKSA-N 432.484 3.606 0 40 IHAB COc1cc(C)c(CN2CCO[C@H](c3nc(N(C)C)ncc3-c3cncnc3)C2)c(C)c1C 19692953 FEPSIUAYVQAOGH-QHCPKHFHSA-N 448.571 3.507 0 40 IHAB COc1cccc(OC)c1-c1cnc(N(C)C)nc1[C@H]1CCCCN1C(=O)c1cccnc1 19694848 PQNQNVUNIRIHTH-LJQANCHMSA-N 447.539 3.989 0 40 IHAB O=C(Nc1nccs1)c1cc([C@@H]2CN(C(=O)c3ccccn3)CCO2)nc2ccccc12 19754078 HWLZRUHCXBOWNY-FQEVSTJZSA-N 445.504 3.552 0 40 IHAB Cc1cc(N2CCC[C@@H](c3ncc(C(=O)NCc4ccc(F)cc4)c(C)n3)C2)nc(C)n1 19765367 BQNAZKOCUPDYOV-LJQANCHMSA-N 434.519 3.645 0 40 IHAB COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3Br)n2C)cc1 19810582 SEWADIAHXHUTKH-UHFFFAOYSA-N 433.331 3.984 0 40 IHAB COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)C[C@@H]1C(=O)Nc1ccccc1OC 19819106 IEFPYPPDQJLTPC-INIZCTEOSA-N 428.872 3.787 0 40 IHAB COc1ccccc1CNC(=O)CN1c2ccc(Cl)cc2-c2ccccc2S1(=O)=O 20063116 FUEJSGGPBIEJGS-UHFFFAOYSA-N 442.924 3.841 0 40 IHAB COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccc(CC(=O)O)cc1 20153413 GFRJBPSLBJIDIJ-UHFFFAOYSA-N 437.315 3.520 0 40 IHAB COc1cccc(N(CC(=O)N(C)Cc2ccc(C)cc2)S(=O)(=O)c2ccccc2)c1 20490519 DQRYJBZDQYOTBJ-UHFFFAOYSA-N 438.549 3.858 0 40 IHAB CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 20490597 ABLJFRIJXULQAA-NRFANRHFSA-N 449.016 3.973 0 40 IHAB COc1ccc(N(CC(=O)NCCCc2ccc(Cl)cc2)S(C)(=O)=O)cc1Cl 22337889 XBOGHKCZYRGFFB-UHFFFAOYSA-N 445.368 3.517 0 40 IHAB O=C(CCSc1nnc(COc2ccccc2Cl)o1)NC(=O)NCc1ccccc1 23074522 HXOMPKJGSDBUKV-UHFFFAOYSA-N 446.916 3.810 0 40 IHAB Cc1c(Cl)cccc1NC(=O)Cn1nc(C(=O)N2CCOCC2)cc1-c1cccs1 23142205 LHFITUDPAKNCNM-UHFFFAOYSA-N 444.944 3.685 0 40 IHAB Cc1nc2sc([C@@H](c3ccc(F)cc3)N3CCN(c4ccc(F)cc4)CC3)c(O)n2n1 23157548 RBSJEXZLQAVTRF-LJQANCHMSA-N 441.507 3.995 0 40 IHAB COc1ccc2nc(SCc3nnc(C(=O)NCc4ccc(F)cc4)s3)[nH]c2c1 26008248 ZVLMLFQFRNCGRX-UHFFFAOYSA-N 429.502 3.784 0 40 IHAB CCN(CC)c1nc(Nc2ccccc2)nc(Oc2ccc(=O)n(-c3ccccc3)n2)n1 26807396 SJNRFOBARYUQDU-UHFFFAOYSA-N 429.484 3.800 0 40 IHAB Cc1cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)ccc1Br 30680187 RAIKMPWWURHXLE-OAHLLOKOSA-N 437.359 3.797 0 40 IHAB Cc1cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)ccc1N1CCCC1 30956819 GCRPSYVQTFSHBH-QGZVFWFLSA-N 433.599 3.696 0 40 IHAB Cc1cc(NC(=O)CN2C(=O)[C@H](C)N(c3ccc(Cl)cc3)C2=O)n(-c2ccccc2)n1 31741709 ZHAOQCFUPDXCRY-HNNXBMFYSA-N 437.887 3.630 0 40 IHAB O=C(CCSc1nnc(C2CCCCC2)o1)NC(=O)Nc1ccc2c(c1)OCCO2 32871117 BJZCFVLMCBGEJO-UHFFFAOYSA-N 432.502 3.719 0 40 IHAB O=C(COc1ccc(N2C(=O)CCC2=O)cc1)c1ccc(OC(=O)c2ccccc2)cc1 33794788 SIFDTWZBGJNXTP-UHFFFAOYSA-N 429.428 3.821 0 40 IHAB Cc1c(C(=O)N2CCN(c3ccc(-c4cccs4)nn3)CC2)cnn1-c1ccccc1 36700512 DSQREGBSRHEWIK-UHFFFAOYSA-N 430.537 3.662 0 40 IHAB C[C@H]1CC[C@@H]2N(C1)C[C@@H]1[C@@H]3C[C@@H]4[C@H](CC(=O)[C@H]5C[C@@H](O)CC[C@@]54C)[C@@H]3CC[C@H]1[C@]2(C)O 38140926 IQDIERHFZVCNRZ-RLVLRJSQSA-N 429.645 3.886 0 40 IHAB COc1ccc(NC(=O)CSc2nc(-c3cc(Br)ccc3O)n[nH]2)cc1 38179088 NQNJECQEJJFMFV-UHFFFAOYSA-N 435.303 3.679 0 40 IHAB COC(=O)c1c(CC(=O)OCc2csc(-c3ccccc3OC)n2)[nH]c(C(C)=O)c1C 39996330 GMUBFRYUPQHEKY-UHFFFAOYSA-N 442.493 3.730 0 40 IHAB O=C(c1ccc2c(=O)n3c(nc2c1)CCCCC3)N1CCC[C@H]1c1nc2ccccc2[nH]1 40013444 PPOBMSFCSAMWHN-NRFANRHFSA-N 427.508 3.977 0 40 IHAB CCN(C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 40151526 SRFQEKHZZSRQOZ-UHFFFAOYSA-N 429.563 3.890 0 40 IHAB CN(C(=O)Cn1c(=O)n(Cc2cccc(Cl)c2)c(=O)c2ccccc21)C1CCCCC1 57472921 DBUDIYIXHKMGKL-UHFFFAOYSA-N 439.943 3.656 0 40 IHAB CC(C)C[C@@H](c1nnnn1Cc1ccc(F)cc1)N1CCN(c2ccccc2F)CC1 57670863 FIEYEUZAKGQNKG-QFIPXVFZSA-N 426.515 3.909 0 40 IHAB C[C@@H](OC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1)C(=O)c1c[nH]c2ccccc12 58017450 QREZDNDUAFXPEP-IIBYNOLFSA-N 440.521 3.526 0 40 IHAB Cc1nc(NC(=O)[C@H]2CCCN2C(=O)C(C)(C)C)sc1Cc1ccc2c(c1)OCO2 58029243 QAQHQXDDRYAMQF-OAHLLOKOSA-N 429.542 3.747 0 40 IHAB CC(=O)N1CCc2cc(C(=O)[C@H](C)Sc3nc4ccccc4c4nc(C)nn34)ccc21 58492332 YATXPZTWMJGPOZ-ZDUSSCGKSA-N 431.521 3.858 0 40 IHAB COc1ccc(Cl)cc1NC(=O)Cn1nnc(C(=O)Nc2cc(C)ccc2C)c1C 67322130 KCPKCQFQFGBKDG-UHFFFAOYSA-N 427.892 3.756 0 40 IHAB CSc1ncc(CN2CCC[C@@H]3CN(C(=O)c4cccc(C(F)(F)F)c4)C[C@@H]32)cn1 72341931 HYOYPYGPYYAGLE-AEFFLSMTSA-N 436.503 3.954 0 40 IHAB COc1ccccc1CN1C(=O)Cc2c(C)nc([C@@H]3CCCN(C(=O)C(C)(C)C)C3)nc21 72371930 VSVDCANQKHOKNN-GOSISDBHSA-N 436.556 3.635 0 40 IHAB Cc1nn([C@@]2(C)CCS(=O)(=O)C2)c(C)c1/C=C1\SC(=O)N=C1Nc1ccccc1 72400913 JOJWHOQIAZGAMB-OWMRDYPQSA-N 430.555 3.752 0 40 IHAB CC(=O)c1cn(CCC(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c2ccccc12 72402348 IOWCWVHHONJEQD-UHFFFAOYSA-N 444.457 3.997 0 40 IHAB Cc1c(NC(=O)[C@@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)c(=O)n(-c2ccccc2)n1C 79055029 TZKZMCHVSIZTPI-RTBURBONSA-N 442.560 3.897 0 40 IHAB COC(=O)c1ccc(NC(=O)CCCC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 79484643 WTIVMTCBLKRHIA-UHFFFAOYSA-N 448.523 3.865 0 40 IHAB O=C1C[C@@H](C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)c2ccccc2N1 84578838 PIBWENBSGSXRQX-GOSISDBHSA-N 432.442 3.996 0 40 IHAB C[C@@H]1[C@@H](C(F)(F)F)OC(=O)N1c1ncccc1NS(=O)(=O)c1cccc(Cl)c1 84678325 PEZSDRFLJGUZJN-RNCFNFMXSA-N 435.811 3.812 0 40 IHAB COc1ccc(C(=O)N2CCC(C(=O)N3CCC[C@H]4COCC[C@@H]43)CC2)c2ccccc12 95410788 AWUULEBLJRQDCC-CVDCTZTESA-N 436.552 3.728 0 40 IHAB Cn1c(=O)[nH]c2ncc(-c3cccc(C(=O)NCCCc4nc5c(s4)CCCC5)c3)cc21 95945818 GZSFJTXMMZCRGV-UHFFFAOYSA-N 447.564 3.627 0 40 IHAB Cc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4cccc(Cl)c4C)[C@@H]3C2=O)cc1Cl 100036778 RMWSXCFYCONVBX-ROUUACIJSA-N 446.294 3.542 0 40 IHAB Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@H]2[C@H]2CCCN21 101344692 WFAMEJVXXNEJOG-OAWZGRKZSA-N 449.938 3.696 0 40 IHAB Cc1cccc(OC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1C 102077388 ARPHJUDYPUBJMP-MBZBAWEWSA-N 441.527 3.873 0 40 IHAB O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O 105955453 FWUZAUVTECNSJM-QKLQHJQFSA-N 429.442 3.873 0 40 IHAB CCOC[C@@]1(N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Br)cc1 218243520 WNTNTYSCGPMVDM-BZSNNMDCSA-N 444.778 3.776 0 40 IHAB CCOc1cccc(CNC(=O)CN2c3ccc(C)cc3-c3ccccc3S2(=O)=O)c1 219161763 MFUKBEJJWNPUIM-UHFFFAOYSA-N 436.533 3.886 0 40 IHAB Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c3cccs3)C1)CC(C)(C)O2 219258993 ZUXOXARLVCBFGO-AEFFLSMTSA-N 448.610 3.876 0 40 IHAB CC[C@@H](C(=O)N[C@@H](C)COc1ccccc1C)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220582737 XMMUPNBLFXBZRM-FPOVZHCZSA-N 432.586 3.740 0 40 IHAB Cc1ccc(OCCNC(=O)CCCN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1 222668302 QOZXCJSGKUNLQP-UHFFFAOYSA-N 438.977 3.698 0 40 IHAB COc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN(C)C)c1 223237626 FLLGAMXOQKULOM-GOTSBHOMSA-N 435.597 3.805 0 40 IHAB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(Cc2ccco2)c1C 223644345 KGSJSEGKLABAGJ-VXKWHMMOSA-N 438.553 3.677 0 40 IHAB CC[C@@H]1CCCCN1CCCNC(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 223877356 UCFAZCCMJCAWQT-OAQYLSRUSA-N 437.650 3.620 0 40 IHAB Cc1ccc(C)c(OCCNC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c1 224006593 ZTKJUNWVMCPHHH-UHFFFAOYSA-N 432.586 3.562 0 40 IHAB CC[C@@H](C(=O)Nc1ccc(Cc2ccncc2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 224310757 KXEZEPBJOYZKDW-QFIPXVFZSA-N 441.528 3.995 0 40 IHAB CCN(c1ccc(C(=O)Nc2cccc(C(=O)OC)c2)cc1)S(=O)(=O)c1ccccc1 224362587 ITHIOOBUHZBQHH-UHFFFAOYSA-N 438.505 3.941 0 40 IHAB CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C)c1 225560670 DVKUDOHQGWDAIV-XZOQPEGZSA-N 433.581 3.984 0 40 IHAB Cc1cc(C)cc(N(CCCC(=O)Nc2nnc(SC(C)C)s2)S(C)(=O)=O)c1 225653890 GQLIAMDQNMSWGY-UHFFFAOYSA-N 442.632 3.840 0 40 IHAB CC1CCN(c2cc(N3CCCCCC3)nc(NC(=S)NCc3cccnc3)n2)CC1 225940376 CWECQPJEAOKAQR-UHFFFAOYSA-N 439.633 3.975 0 40 IHAB CNC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(C(=O)COc2ccccc2)CC1 257223818 DYZYEFYDVWRVPK-UHFFFAOYSA-N 443.547 3.725 0 40 IHAB COc1ccc(CCCC(=O)N2CCO[C@@H](c3ccc(Nc4ncccn4)cn3)C2)c(C)c1 257253039 JXJDJRXOCPKRJS-HSZRJFAPSA-N 447.539 3.855 0 40 IHAB Cc1nn(C)cc1S(=O)(=O)N1CCC[C@H](c2ncc(Cc3ccccc3Cl)o2)C1 257296668 RDVGIBMKZWZOGR-INIZCTEOSA-N 434.949 3.529 0 40 IHAB CSc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)CC(C)(C)c2ccccc2)cc1 260790630 FKMPOHJMLDFINW-QGZVFWFLSA-N 434.627 3.902 0 40 IHAB Cc1ccc(N([C@H](C)C(=O)NCCOc2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1C 260793272 MMYOMUAENDUDMS-LJQANCHMSA-N 446.613 3.951 0 40 IHAB CCCCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1 408550486 CVVAPGGYMPFDPZ-UHFFFAOYSA-N 441.347 3.545 0 40 IHAB CCN(CC)C(=O)c1ccccc1NC(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 408678901 JLKDCBJOAWMOIU-UHFFFAOYSA-N 445.585 3.662 0 40 IHAB CC(=O)Nc1ccc(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(F)cc2)cc1 409079316 FJOVUIQJQJHXNS-UHFFFAOYSA-N 447.532 3.746 0 40 IHAB CC(C)Oc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc(Cl)c3)CC2=O)cc1 409125414 AEWXBCSSMLMDEM-HNNXBMFYSA-N 430.888 3.662 0 40 IHAB CCn1c(SCC(=O)N[C@@H]2CCCC[C@@H]2C)nnc1[C@@H](C)NC(=O)c1ccc(C)cc1 409132009 KKQFXWWYSOEZRU-YQVWRLOYSA-N 443.617 3.884 0 40 IHAB Cn1c(CNC(=O)Cc2ccccc2)nnc1SCC(=O)Nc1ccc2ccccc2c1 409158177 SFQSMDVKEXFYGP-UHFFFAOYSA-N 445.548 3.558 0 40 IHAB CCOCCCNC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1 409182785 OJFYEERCVLKHOF-UHFFFAOYSA-N 438.977 3.695 0 40 IHAB COCCCN1C(=O)S/C(=C/c2cc(Cl)c(OCC(=O)OC)c(Cl)c2)C1=O 409242654 XKAMGTBRDDPPDT-MDWZMJQESA-N 434.297 3.618 0 40 IHAB CCOc1ccc(Cl)cc1/C=C1\NC(=O)N(CC(=O)Nc2ccccc2CC)C1=O 409247277 LZIDCSBAMNWXJJ-PDGQHHTCSA-N 427.888 3.833 0 40 IHAB Cc1ccc(NC(=O)CSc2nnc([C@@H](C)NC(=O)c3ccc(Cl)cc3)n2C)cc1 409347620 MIHJLWOQBVERPZ-CQSZACIVSA-N 443.960 3.999 0 40 IHAB CN(C)[C@H](CNS(=O)(=O)c1ccc(Br)s1)c1cc2ccccc2o1 575619293 CWGFRBYPGFSQKZ-GFCCVEGCSA-N 429.361 3.838 0 40 IHAB CN(CC(=O)Nc1ccc(Oc2ccnc3cc(Cl)ccc23)c(F)c1)S(C)(=O)=O 590261304 WVRTUAJHVIBOJU-UHFFFAOYSA-N 437.880 3.650 0 40 IHAB CC(=O)N1CCCN(Cc2ccccn2)CCCN(C(=O)CC2CC2)Cc2ccccc21 643581174 BUUUDKAWHWBHJG-UHFFFAOYSA-N 434.584 3.859 0 40 IHAB Cc1ccc(S(=O)(=O)CC(=O)Nc2nc3ccc(Br)cc3s2)cc1 714298 QXYOMIZTUZMZQR-UHFFFAOYSA-N 425.329 3.780 0 40 IHAB Cc1c(CCC(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)O)c(=O)oc2c(C)c(O)ccc12 2155899 KWHODSGTNWCDHR-GOSISDBHSA-N 443.883 3.514 0 40 IHAB biogenic CC(C)CN(C(=O)C(c1ccccc1)c1ccccc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 3437544 ROYRNRFSLRDBJS-UHFFFAOYSA-N 448.567 3.596 0 40 IHAB COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)ccc1O 6576905 KGEQGIAXPBGPBH-FKBYEOEOSA-N 434.423 3.591 0 40 IHAB O=C(Nc1ccccc1)N1CCC[C@@H](C(=O)N2CCN(c3ccccc3Cl)CC2)C1 7848707 UGYYVTFLJYJRSL-GOSISDBHSA-N 426.948 3.933 0 40 IHAB CN(Cc1ccccc1)c1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccsc12 8589522 GCWNAFLHJNJVCV-UHFFFAOYSA-N 435.534 3.808 0 40 IHAB CCOC(=O)C1=C(C)N=C2SCC(=O)N2[C@H]1c1c(OC)ccc2ccc(OC)cc12 8660801 BBIOSUSCSMBXBJ-HXUWFJFHSA-N 426.494 3.680 0 40 IHAB CN(C(=O)COC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)C1CCCCC1 8735805 PHVDFIPEZSUJPT-UHFFFAOYSA-N 448.516 3.574 0 40 IHAB COc1ccc(CNS(=O)(=O)c2ccc(NC(=O)c3ccccc3F)c(F)c2)cc1 8810637 GYECICWFKOMSLW-UHFFFAOYSA-N 432.448 3.704 0 40 IHAB Cc1c(CCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)c(=O)oc2cc(O)ccc12 8992245 PINNOIBTGWSHCJ-UHFFFAOYSA-N 426.900 3.742 0 40 IHAB O=C(CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1)Nc1cccnc1Cl 9125476 QNDINIKCNMILBR-GFCCVEGCSA-N 435.962 3.965 0 40 IHAB CCCCCC(=O)N(c1ccc(OCC)cc1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C 9206727 ZZXCTHRNKNMJLW-UHFFFAOYSA-N 446.525 3.832 0 40 IHAB Cc1ccc(-n2c(SCC(=O)N3CCC(c4ccccc4)=N3)nnc2N2CCCC2)cc1 9208242 HJOZHUDKBCBLNO-UHFFFAOYSA-N 446.580 3.905 0 40 IHAB O=C(CCCSc1nc2ccccc2[nH]1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 9219564 RDSHGWMAHODVMN-UHFFFAOYSA-N 435.553 3.942 0 40 IHAB COC(=O)c1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2cccnc2)N2N=CNC2=N3)cc1 9309807 XVQRXKPXDKBDBP-XZOQPEGZSA-N 437.459 3.672 0 40 IHAB COc1ccc(CC(=O)Nc2nnc(SCC(=O)Nc3ccccc3F)s2)cc1 9365824 VRBNPIVTDXTQME-UHFFFAOYSA-N 432.502 3.598 0 40 IHAB Cc1cccc(-n2c(C)nnc2SCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)c1 9572936 YWNKPMKEJCEKNE-UHFFFAOYSA-N 439.585 3.771 0 40 IHAB Cc1c(NC(=O)c2cccc(NC(=O)Cc3ccccc3)c2)c(=O)n(-c2ccccc2)n1C 9579284 HWCUFTJTXOZXKT-UHFFFAOYSA-N 440.503 3.918 0 40 IHAB O=C(Nc1ccccc1N1CCCC1=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 9780209 UPQNGYBXMAEOBD-UHFFFAOYSA-N 441.553 3.630 0 40 IHAB Cc1noc(C)c1COc1ccc(C(=O)O[C@@H](C)C(=O)NC(=O)NC2CCCCC2)cc1 9963074 SSPVNNSHVYHZDL-INIZCTEOSA-N 443.500 3.574 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC3CCCCCC3)C2)cc1Cl 9974631 QAIJOULHGAJUNZ-HNNXBMFYSA-N 428.982 3.588 0 40 IHAB Cc1ccccc1Nc1nc(N)nc(CSc2nnc([C@@H]3COc4ccccc4O3)o2)n1 10036776 YJRYGNACZHHWCL-INIZCTEOSA-N 449.496 3.694 0 40 IHAB COc1cccc(NC(=O)CSc2nc(=O)n(Cc3ccco3)c3c2CCCC3)c1 10186704 OVFMFBTZFPKUBI-UHFFFAOYSA-N 425.510 3.503 0 40 IHAB CCOc1cccc2c1OC1(CCN(C(C)=O)CC1)N1N=C(c3ccc4c(c3)OCO4)C[C@@H]21 10214442 VUNIUXFMGVVPIP-FQEVSTJZSA-N 449.507 3.696 0 40 IHAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O 10338679 FCNUZSRQNDIGMX-MSOLQXFVSA-N 445.585 3.625 0 40 IHAB COc1ccc(OC)c(C(=O)COC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)c1 11156757 TXLOZFUOORZRAW-GOSISDBHSA-N 435.885 3.586 0 40 IHAB CCCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3ccccc3Cl)ccc21 12180438 PAPDEZOEGHRGFT-UHFFFAOYSA-N 428.963 3.633 0 40 IHAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)CSc1nncs1)CC2 12747519 BCYKNJUJOQJNFQ-FQEVSTJZSA-N 427.551 3.822 0 40 IHAB CCOc1ccc(NC(=O)Cc2coc3cc(C)c(C)cc23)cc1S(=O)(=O)N(C)C 12850048 XGKWGPUGMYFIPL-UHFFFAOYSA-N 430.526 3.880 0 40 IHAB Cc1nn(Cc2ccccc2)c2sc(C(=O)NC[C@H](CC(C)C)N3CCOCC3)cc12 12869746 SJDQYSHIFNXJCW-FQEVSTJZSA-N 440.613 3.931 0 40 IHAB CC(C)(C)NC(=O)[C@@H](c1ccc(Cl)cc1)N(Cc1cccnc1)C(=O)c1csnn1 12874696 MEGSFWJPCYLAND-GOSISDBHSA-N 443.960 3.885 0 40 IHAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)NCCOc3ccccc3)CC2)c1C 12888638 QEYADUHJFFRPBN-UHFFFAOYSA-N 444.597 3.516 0 40 IHAB CCOCc1c(C(=O)N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)oc2ccccc12 12981223 LSIWFQSXNMVFNL-UHFFFAOYSA-N 449.551 3.983 0 40 IHAB Cc1cc(Br)ccc1NC(=O)CN1CCC(C(=O)N2CCCCCC2)CC1 12993564 NQGBMFBXJODNLM-UHFFFAOYSA-N 436.394 3.811 0 40 IHAB COc1ccccc1C(=O)Nc1nc(-c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)cs1 13084266 QNAQHANDKDGMJG-ZDUSSCGKSA-N 443.550 3.782 0 40 IHAB COc1ccc(C(=O)N/C(=C\c2cn(C)c3ccccc23)C(=O)NCc2cccnc2)cc1 13692348 BAFFJZXBRJIBTF-UCQKPKSFSA-N 440.503 3.669 0 40 IHAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CN(C)Cc1cn(C)nc1C 14191951 PJIWULZRXQCDAL-UHFFFAOYSA-N 426.542 3.704 0 40 IHAB CC(=O)Nc1ccc(S(=O)(=O)N(CCOc2ccc(C)cc2)Cc2ccco2)cc1 15315149 RGPSWZXDWWLTQK-UHFFFAOYSA-N 428.510 3.816 0 40 IHAB CCOC(=O)[C@H](OC(=O)c1cccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1)c1ccccc1 15321278 QGBSTFRTQTXPJH-PCCBWWKXSA-N 435.476 3.827 0 40 IHAB Cc1ccc(CCC2CCN(Cn3nc(C[C@H]4CCS(=O)(=O)C4)oc3=S)CC2)cc1 15516954 LKPHGROZCZOIPL-HXUWFJFHSA-N 449.642 3.794 0 40 IHAB C[C@H](N[C@H](C)c1cccc2ccccc12)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 15517242 JJOQRSYLLLZIIY-SJORKVTESA-N 425.554 3.768 0 40 IHAB COc1ccc(CNC(=O)[C@H](c2cccc(C)c2)N(C(=O)c2csnn2)C2CC2)cc1 15935418 TVBVLBIFJSPSQH-NRFANRHFSA-N 436.537 3.517 0 40 IHAB CCN(CC(=O)NCc1cccs1)Cc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 16562929 AZOKSGCURBTYAT-UHFFFAOYSA-N 438.578 3.851 0 40 IHAB CCOC(=O)c1sc(Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)nc1C 16778848 JTKKIOWIBZWFRN-UHFFFAOYSA-N 447.542 3.579 0 40 IHAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1csc(-c2ccc(OC)cc2)n1 18099437 FKYHBPDMPKAHGR-UHFFFAOYSA-N 434.521 3.646 0 40 IHAB O=C1[C@H]2Sc3[nH]c(=O)sc3[C@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(Cl)cc1 18155656 WJWCKMBMZIMZKF-FMKPAKJESA-N 428.922 3.886 0 40 IHAB O=C(c1cc([C@@H]2CCCN(Cc3ccc(Cl)c(Cl)c3)C2)no1)N1CCC(O)CC1 19292899 MEPPPUFWARUOGX-OAHLLOKOSA-N 438.355 3.958 0 40 IHAB O=C(COc1ccccc1)N1CCCC[C@H]1c1nc(O)c2c(n1)CN(C1CCCC1)CC2 19373453 LYJSQPQAPAHHFP-QFIPXVFZSA-N 436.556 3.616 0 40 IHAB CC1(C)CC(N(Cc2cnc(N3CCOCC3)nc2)Cc2cccs2)CC(C)(C)N1 19461035 KFEQQZUIOQNKQE-UHFFFAOYSA-N 429.634 3.686 0 40 IHAB CCCC(=O)N1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C(C)(C)C)C4)CC1 19501452 PRUZMBJBXRPAGV-OAHLLOKOSA-N 430.618 3.580 0 40 IHAB Cc1nc([C@H]2CCCN(Cc3ccccc3N3CCC(O)CC3)C2)nc2c1CCCN2C 19706726 OWZOKTKOQVKZNO-NRFANRHFSA-N 435.616 3.508 0 40 IHAB Cc1nc(C2CCN(Cc3ccnn3C)CC2)nc2c1CCC(=O)N2Cc1cccc(F)c1 19739283 AQJGEIGPFRRMGN-UHFFFAOYSA-N 448.546 3.517 0 40 IHAB Cc1nc([C@@H]2CCN(C(=O)CCCc3c[nH]c4ccccc34)C2)ncc1C(=O)N1CCCC1 19757733 LLSMWSGONVRBCK-HXUWFJFHSA-N 445.567 3.841 0 40 IHAB COc1ccc(CN2CC[C@@H](c3ncc(C(=O)NCc4cccc(OC)c4)c(C)n3)C2)cc1 19758238 GPIMXZJDMRITEF-OAQYLSRUSA-N 446.551 3.722 0 40 IHAB O=C(Nc1ccc(F)cc1F)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 19860317 XCBVRNWMFMOAPO-CQSZACIVSA-N 428.888 3.799 0 40 IHAB CCOc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)c1 20105887 SUOVSAHAECILDS-HXUWFJFHSA-N 430.570 3.698 0 40 IHAB COc1ccc(S[C@H](C)C(=O)Nc2cc(S(=O)(=O)NC(C)C)ccc2OC)cc1 20487693 PDJRKKPIOZSWHX-CQSZACIVSA-N 438.571 3.510 0 40 IHAB COc1ccc(C(=O)OCc2c(C)cc(C)c(C(C)=O)c2C)cc1S(=O)(=O)NC(C)C 21306423 LEVMHMLXFMRWDO-UHFFFAOYSA-N 447.553 3.867 0 40 IHAB O=C(NC1CC1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 23117684 RIMSGNPUCBKNMM-ZDUSSCGKSA-N 431.414 3.589 0 40 IHAB Cc1ccc(-c2ccc(OS(=O)(=O)c3cccc(S(=O)(=O)N(C)C)c3)cc2)cc1 24249122 WZOYZHHIAZZZOI-UHFFFAOYSA-N 431.535 3.680 0 40 IHAB CCc1nc2ccccc2c(C)c1C(=O)OCC(=O)N[C@@H](c1ccccc1)c1nccn1C 24903126 PEVVCZWDGLXHOT-DEOSSOPVSA-N 442.519 3.902 0 40 IHAB C[C@@H](Oc1ccc(F)cc1)C(=O)N(Cc1cccc2ccccc12)[C@@H]1CCS(=O)(=O)C1 28228567 WUKUQZINIBFXAP-DYESRHJHSA-N 441.524 3.962 0 40 IHAB CC(C)c1cc(C(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)c2cnn(C(C)C)c2n1 32901184 BPNZKWXAKVDPBA-UHFFFAOYSA-N 449.555 3.538 0 40 IHAB CCC(=O)c1ccc(OC[C@H](O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 32907318 IUKSTTTVCVYONS-GDBMZVCRSA-N 426.538 3.615 0 40 IHAB O=C(NCc1ccccc1)NC1(C(=O)NCc2ccc(CN3CCCC3)cc2)CCCC1 32907954 JLCHJRHRZDWKQS-UHFFFAOYSA-N 434.584 3.711 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(C(=O)OCc2nc3ccccc3nc2C)ccc1C 32944926 FGFSQFMTAHDJBW-UHFFFAOYSA-N 427.526 3.634 0 40 IHAB COc1ccc(CNC(=O)Nc2ccc3nc(N4CCN(C)CC4)cc(C)c3c2)cc1OC 36709093 MZQWEGAZBNQFSP-UHFFFAOYSA-N 449.555 3.634 0 40 IHAB CSc1ccccc1CN1CCC(CNS(=O)(=O)c2cccc(C(C)=O)c2)CC1 43959584 NLNFNEVJKCFOFI-UHFFFAOYSA-N 432.611 3.802 0 40 IHAB CC(C)CNC(=O)C1CCN(c2nc3c(-c4ccccc4F)csc3c(=O)[nH]2)CC1 49421051 WNDQECQSAPXLAM-UHFFFAOYSA-N 428.533 3.779 0 40 IHAB CCN1CCN(C(=O)Cc2cccc(OC)c2)[C@@H](Cc2ccccc2-c2cccnc2)C1=O 72351548 HPHJUBWUGJRJBI-VWLOTQADSA-N 443.547 3.602 0 40 IHAB Cc1nn(C)cc1C(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(CCc1ccccc1)CCC2 72372903 FMUAWVVWMMNIMB-QHCPKHFHSA-N 444.583 3.800 0 40 IHAB CCOc1c2c(c(Cn3c(=O)sc4ccccc43)c(OCC)c1OCC)C(=O)OC2 72408067 IMPCOLUWYGUUKS-UHFFFAOYSA-N 429.494 3.978 0 40 IHAB COc1ccccc1-n1c(SCCNC(=O)C2CCCC2)nnc1N1CCCCC1 79098685 JJYOXRHAVKZVQX-UHFFFAOYSA-N 429.590 3.665 0 40 IHAB COc1cccc(CNC(=O)CSc2nc3ccccc3c3nc(-c4ccco4)nn23)c1 89470048 ZBOKEWMJAYORAM-UHFFFAOYSA-N 445.504 3.955 0 40 IHAB Cc1ccc(NC(=O)NC[C@@H]2CCO[C@H](C)C2)cc1NC(=O)NC[C@@H]1CCO[C@@H](C)C1 95457630 AKEPYGOPRGTWSJ-FCGDIQPGSA-N 432.565 3.868 0 40 IHAB CC(C)n1cnc2c(N3CCCC3)nc(C3CCN(C(=O)C4CCOCC4)CC3)cc21 96100006 BUGIXCDKQTUHSJ-UHFFFAOYSA-N 425.577 3.745 0 40 IHAB COc1cc(OC)cc(C(=O)N(C)Cc2nc(-c3cccc(Br)c3)no2)c1 96257117 CDXNPODMUXFLIM-UHFFFAOYSA-N 432.274 3.789 0 40 IHAB O=C(c1ccccc1Br)N1CCN(c2cc(-c3ccc(F)cc3)n[nH]2)CC1 98211779 AOHQVKBSQUZHML-UHFFFAOYSA-N 429.293 3.941 0 40 IHAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1CN(C(=O)c1ccccc1Cl)c1ccccc1 100396506 QQWSKVWZFKXLED-AHFIBXSNSA-N 432.907 3.997 0 40 IHAB COc1ccccc1CCCNC(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 219634899 SOLHJUOEMJHXLS-UHFFFAOYSA-N 438.977 3.644 0 40 IHAB CC[C@H](C(=O)NCCSC(C)(C)C)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 220748687 AGSLEGYCWADPHT-OAHLLOKOSA-N 437.027 3.541 0 40 IHAB COc1cccc(N(CCCC(=O)NCc2ccc(Cl)cc2Cl)S(C)(=O)=O)c1 222589156 VLIMUWLADMXRSK-UHFFFAOYSA-N 445.368 3.865 0 40 IHAB CC[C@H](NC(=O)[C@@H](C)N(c1cccc(OC)c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 223114037 YTDXVLBWCJRPNA-HXOBKFHXSA-N 444.597 3.996 0 40 IHAB CCc1ccc(OCCNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 223461630 SDAXQLDMUWNBRW-UHFFFAOYSA-N 438.549 3.640 0 40 IHAB COc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)Nc3ccccc3OC)c2)cc1 224279445 BUXVLQIKRISSTJ-UHFFFAOYSA-N 426.494 3.781 0 40 IHAB CS(=O)(=O)Nc1ccc(Cl)c(C(=O)NCc2ccccc2CN2CCCCC2)c1 224835827 QUIMGZXMUFFUFI-UHFFFAOYSA-N 435.977 3.627 0 40 IHAB O=C(NCCCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 225488589 AQKUFFMBWCZZQZ-UHFFFAOYSA-N 438.952 3.629 0 40 IHAB COc1ccc(CCC(=O)N[C@@H]2CC[C@H]3OCCO[C@@H]3C2)cc1OCc1ccccc1 252507457 WMFWCRYMTAXSPV-KIFXHHALSA-N 425.525 3.660 0 40 IHAB COc1cccc(N([C@@H](C)C(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)S(C)(=O)=O)c1 260592170 QDSXESKGUTWYPJ-JXFKEZNVSA-N 446.569 3.577 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)c3ccc(C)c(C)c3)C2)cc1C 260746272 QZHBVKLAYJCXFG-IBGZPJMESA-N 430.570 3.684 0 40 IHAB Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)Nc1ccc(F)cc1 408529563 ILCHSSKZFHEYSZ-UHFFFAOYSA-N 428.485 3.630 0 40 IHAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl 408592287 JULMLEFZFQLZRV-DYVFJYSZSA-N 429.369 3.798 0 40 IHAB O=C(O)COc1cccc(/C=C(\Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)O)c1 408633565 KOXFGWDSGVTDMZ-DHDCSXOGSA-N 431.857 3.806 0 40 IHAB COc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)c1 408673292 ZONYSWVVUOFLEK-LBPRGKRZSA-N 437.279 3.537 0 40 IHAB COC(=O)c1ccccc1NC(=O)c1cccc(NC(=O)c2c(OC)cccc2OC)c1 408675142 ABHSRDVSKWWOLR-UHFFFAOYSA-N 434.448 3.995 0 40 IHAB CCc1cccc2c(/C=C3\SC(=O)N(C(C)C)C3=O)cn(CC(=O)NCCCOC)c12 409125082 IZBPODRODLOEJS-UNOMPAQXSA-N 443.569 3.801 0 40 IHAB O=C(Nc1sccc1C(=O)N1CCCN(CC(F)F)CC1)c1ccc2c(c1)CCC2 501605404 UMJHHYSKITWWFW-UHFFFAOYSA-N 433.524 3.902 0 40 IHAB CCN1CCN(Cc2ccc(NC(=O)c3n[nH]c4ccc(Br)cc34)cc2)CC1 520310727 GXNNWJJPMLYFBQ-UHFFFAOYSA-N 442.361 3.715 0 40 IHAB CCOc1ccc(N2C(=O)c3ccc(C(=O)Nc4ccccc4C(=O)O)cc3C2=O)cc1 575410706 BIHUYMGWMNLFFL-UHFFFAOYSA-N 430.416 3.836 0 40 IHAB Cc1ccc(Nc2cccc(C(=O)Nc3cc(C(=O)OCc4ccccc4)[nH]n3)c2)nn1 1179955541 XKFCCGWKOVVGSQ-UHFFFAOYSA-N 428.452 3.861 0 40 IHAB CC[C@@H]1NC(=O)N(c2cccc(NC(=O)NC[C@@H](O)c3ccc4ccccc4c3)c2)C1=O 1562873400 YLLIHSXMBIEXIB-LEWJYISDSA-N 432.480 3.530 0 40 IHAB CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(OC)cc1OC 908404 ZMWFJLYDEYFSMU-UHFFFAOYSA-N 428.514 3.625 0 40 IHAB COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(C)cc2C)cc(OC)c1OC 909678 QYEAVLGOFFNYSF-FQEVSTJZSA-N 425.485 3.596 0 40 IHAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)C(C)C)CC3)cc2)c1 1266432 PDDMQRYSKIHRQI-UHFFFAOYSA-N 438.597 3.735 0 40 IHAB O=c1[nH]c(CN(C2CCCC2)S(=O)(=O)c2ccccc2)nc2sc3c(c12)CCCC3 1358899 KBZVBPYXHPYUDG-UHFFFAOYSA-N 443.594 3.997 0 40 IHAB COc1ccc(-c2nsc3c(N4CCN(C(=O)c5ccccc5F)CC4)ncnc23)cc1 1370791 HBJGIJHBMAWZHT-UHFFFAOYSA-N 449.511 3.863 0 40 IHAB COc1cccc(-n2c(N)c(C(=O)NCCCOC(C)C)c3nc4ccccc4nc32)c1 2332837 UVJAENGRIPBNMW-UHFFFAOYSA-N 433.512 3.709 0 40 IHAB CCCOc1cccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)c1 2589389 PHNIWWKMPQWDGD-GFCCVEGCSA-N 431.583 3.887 0 40 IHAB O=S(=O)(N[C@H]1CCCC[C@H]1Sc1nnnn1-c1ccccc1)c1ccc(Cl)cc1 2708605 FAKGIBNWUMBTPK-ZWKOTPCHSA-N 449.989 3.698 0 40 IHAB CCOCCCNC(=O)c1ccc2c(=O)n(Cc3ccc(Cl)cc3)c(=S)[nH]c2c1 2973410 SRSRYAQMIKVTPJ-UHFFFAOYSA-N 431.945 3.917 0 40 IHAB CCCn1nnc(NC(=S)NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)n1 3331636 NELDKIDNOVGACA-UHFFFAOYSA-N 425.301 3.777 0 40 IHAB CC[C@@H](C)NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 6631933 ZSYIJYSFMDTOGO-CQSZACIVSA-N 425.348 3.559 0 40 IHAB COc1cc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2ccncc2)ccc1O 8606653 YPOTWRSQTYJADU-HSZRJFAPSA-N 428.448 3.637 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1F)c1ccc(Cl)cc1Cl 8810511 WUMQNHHAKUFNAG-GFCCVEGCSA-N 447.315 3.842 0 40 IHAB CC[C@@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)NCCC(C)C 8876276 RCLHISSQUHDLQE-OOULBGLYSA-N 445.629 3.728 0 40 IHAB biogenic CC(=O)[C@@H]1[C@H](C(=O)c2ccncc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 8964548 HEOVDDZNQBJMHY-ZOJNDGCKSA-N 435.483 3.644 0 40 IHAB biogenic O=S(=O)(NC[C@@H](c1ccccc1)S(=O)(=O)c1cccs1)c1ccc(Cl)cc1 9106817 VIGXOXYZVMLMBC-KRWDZBQOSA-N 441.983 3.895 0 40 IHAB Cc1ccc(S(=O)(=O)NC[C@H](c2ccccc2)S(=O)(=O)c2cccs2)cc1C 9106823 HSDMJEFZYQPCGL-LJQANCHMSA-N 435.592 3.858 0 40 IHAB O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1O)c1cc(F)c(F)cc1Cl 9144408 DEDPVQBQZRYJLZ-UHFFFAOYSA-N 430.860 3.751 0 40 IHAB CCN(c1ccc(Cl)cc1)S(=O)(=O)c1nnc(NC(=O)c2ccc(C)cc2)s1 9405087 JOQRCKQKGYXVIH-UHFFFAOYSA-N 436.946 3.967 0 40 IHAB CCOC(=O)CCC(=O)Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2ccccc12 9518549 SRVDSONNARBUPC-UHFFFAOYSA-N 438.436 3.738 0 40 IHAB COc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3cccc(F)c3)c3ccccc32)cc1OC 9614520 RJKBPEFSXTWJGM-RUZDIDTESA-N 435.451 3.850 0 40 IHAB COC(=O)c1sc(-c2ccccc2)cc1NC(=O)CS(=O)(=O)c1ccc(F)cc1 9630063 SAGTXRKBXDVJLV-UHFFFAOYSA-N 433.482 3.753 0 40 IHAB COc1cccc(-n2c(SCC(=O)N3C[C@@H](C)C[C@@H](C)C3)nc3ccccc3c2=O)c1 10084591 KFDQNQVMDSBRNA-CALCHBBNSA-N 437.565 3.991 0 40 IHAB CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2ncnc3sccc23)cc1 10187276 QNPSHRDTWRPTFY-UHFFFAOYSA-N 430.555 3.897 0 40 IHAB CCOc1ccc(N(CC(=O)NCc2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1 10447619 LRSWEOVEXSHJLW-UHFFFAOYSA-N 438.549 3.905 0 40 IHAB CCCOc1ccc(C(=O)CCC(=O)O[C@@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)cc1 11227676 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CS(=O)(=O)N[C@H](CC(=O)N1CCC(Cc2ccccc2)CC1)c1ccc(Cl)cc1 225952036 JIDSILBXWJIMDP-OAQYLSRUSA-N 434.989 3.802 0 40 IHAB C[C@]1(O)CN(CC(=O)Nc2ccccc2C(F)(F)F)CC[C@@H]1Oc1cccc(F)c1 257219839 DIKLUIQEYXJNSB-ICSRJNTNSA-N 426.410 3.687 0 40 IHAB Cc1cc(C)nc(NCCC(=O)N2CCC[C@@H]2c2cncc(Cc3cccc(F)c3)n2)n1 257227385 FPAYETZLKKPVNW-JOCHJYFZSA-N 434.519 3.779 0 40 IHAB O=C(NC1CCCC1)c1cc([C@@H]2CCCCN2C(=O)c2cccc(Cn3ccnc3)c2)n[nH]1 257245441 IPNXVXCPTAYKTB-QHCPKHFHSA-N 446.555 3.694 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(F)cc3)C2)cc1Cl 408636197 XXEBLQAULVVOLG-AWEZNQCLSA-N 440.924 3.917 0 40 IHAB Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)ccc1N1C(=O)CCC1=O 408665178 OMSVYTHMZTWSKP-GOSISDBHSA-N 442.471 3.760 0 40 IHAB C[C@H](CNC(=O)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1)c1ccccc1 408710382 ZTNFRYYVECAUFI-LJQANCHMSA-N 429.520 3.518 0 40 IHAB COc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3ccccc3Br)CC2)c1 408971414 ODJUZQKUOAYOIM-UHFFFAOYSA-N 447.329 3.957 0 40 IHAB O=C(CN1C(=O)S/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C1=O)NC[C@H]1CCCO1 409210997 LLUIYSNFUZIEHC-LTKMBJGESA-N 446.912 3.932 0 40 IHAB Cc1ccc(CN2CCC3(CCCCNC(=O)c4ccccc4OCCNC3=O)CC2)cc1 643565171 FINJKAVKMAPCNT-UHFFFAOYSA-N 449.595 3.686 0 40 IHAB CC(=O)N1CCC(Cc2ccc(F)cc2)(C(=O)N2CCC[C@H](Cc3ccccn3)C2)CC1 2037800219 LIYQUDIUSNWHEZ-JOCHJYFZSA-N 437.559 3.873 0 40 IHAB CS(=O)(=O)N(CC(=O)N(Cc1ccccc1)Cc1ccccc1)c1cccc(F)c1 627958 DTFFGXFKGFGTGT-UHFFFAOYSA-N 426.513 3.821 0 40 IHAB CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CCC[C@@H](C)C3)cc2c1 890233 IIIOSNOZMSVTDP-ZHRRBRCNSA-N 436.560 3.850 0 40 IHAB Cn1c(=O)c2c3c(sc2n2c(SCc4ccc5c(c4)OCO5)nnc12)CCCC3 1253628 FGIHCYTYZSBWGS-UHFFFAOYSA-N 426.523 3.543 0 40 IHAB CC/C(=C(/CC)c1ccc(OS(=O)(=O)O)cc1)c1ccc(OS(=O)(=O)O)cc1 1621270 JQFXYBUUBRTZSR-ISLYRVAYSA-N 428.484 3.781 0 40 IHAB COc1ccc(CCNC(=O)c2c(N)n(CC(C)C)c3nc4ccccc4nc23)cc1OC 2211204 YPPMLHSXPRRZOW-UHFFFAOYSA-N 447.539 3.812 0 40 IHAB COC(=O)C(C(=O)OC)[C@H](c1ccc(OC)c(OC)c1)[C@H](C)C(=O)c1ccc(C)cc1C 2439909 WRXVDLGAJSUFNI-KKSFZXQISA-N 442.508 3.885 0 40 IHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1 2661827 UROPWYVVAQHADJ-UHFFFAOYSA-N 438.505 3.561 0 40 IHAB O=C1C2[C@@H](c3cccnc3)N[C@H](c3cccnc3)C1[C@H](c1cccnc1)N[C@H]2c1cccnc1 4042667 LDJCBJLZNMUUBF-SVUFUNOJSA-N 448.530 3.540 0 40 IHAB COc1cccc([C@@H]2C(C(N)=O)=C(C)N=C3N=C(SCc4ccccc4Cl)NN32)c1 4176628 RFUGRLRTEGYZPE-GOSISDBHSA-N 441.944 3.628 0 40 IHAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1n[nH]nc1NS(=O)(=O)c1ccccc1 4388245 ABZKNWUAPSOCHQ-UHFFFAOYSA-N 445.810 3.530 0 40 IHAB CCOC(=O)C(=O)Nc1sc(C(=O)Nc2ccc(C)c(Cl)c2)c(C)c1C(=O)OC 6544829 IKUXFUKOTZZBIE-UHFFFAOYSA-N 438.889 3.559 0 40 IHAB Cc1ccc(C)c(N2CCN([C@@H]3CCCC[C@H]3NS(=O)(=O)c3ccccc3)CC2)c1 6804177 SIZFHFYOXGTUOV-DHIUTWEWSA-N 427.614 3.715 0 40 IHAB COc1ccc([C@H]2CCCN2[C@@H](C)C(=O)Nc2sc3c(c2C(N)=O)CCC3)c(OC)c1 8723697 ODSFLUYBWVYFPU-SUMWQHHRSA-N 443.569 3.517 0 40 IHAB CC(C)(C)[C@H]([C@@H](Oc1ccc(Cl)cc1)n1cncn1)n1nnnc1C1(N)CCCCC1 8856709 SQPWJJVBRGREJT-ZWKOTPCHSA-N 444.971 3.901 0 40 IHAB Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)N[C@@H](Cc3ccccc3)C(=O)O)c(C)c12 8877117 XLFLTDWBFDKUBR-SFHVURJKSA-N 433.460 3.819 0 40 IHAB biogenic Cc1ccc(-n2c(-c3ccc(Cl)cc3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1C 9110136 MBMDVMNSLLTSKD-UHFFFAOYSA-N 433.899 3.613 0 40 IHAB O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccc(S(=O)(=O)N2CCCC2)cc1 9446367 MKFZIQNFSNSWDZ-UHFFFAOYSA-N 448.957 3.895 0 40 IHAB CCn1c(SCC(=O)Nc2ccc(NC(C)=O)cc2)nnc1-c1cccc(OC)c1 9478818 WAJRXCUEJZAAHR-UHFFFAOYSA-N 425.514 3.663 0 40 IHAB C[C@@H]1CCN(C(=O)CN2CCC(C(=O)Nc3ccccc3O)CC2)c2ccccc2S1 9499227 SWYHTGGSCZEUNT-QGZVFWFLSA-N 439.581 3.960 0 40 IHAB COc1ccc(C(=O)N2CCCN(S(=O)(=O)c3ccc(C)cc3)CC2)c2ccccc12 9595241 MDQNMTFRZAMWGJ-UHFFFAOYSA-N 438.549 3.694 0 40 IHAB Cc1nc2cc(NC(=O)CCNS(=O)(=O)c3cccs3)ccc2n1-c1ccccc1 9638751 FZBUNPIGHXGHIK-UHFFFAOYSA-N 440.550 3.703 0 40 IHAB Cc1ccc(S(=O)(=O)NC[C@@H](c2cccs2)S(=O)(=O)c2ccc(C)cc2)cc1 9741890 GUNPEAVHPZBTRZ-FQEVSTJZSA-N 435.592 3.858 0 40 IHAB CCOC(=O)c1cn(CC(=O)Nc2ccccc2C(F)(F)F)c2nc(C)ccc2c1=O 10272970 AFSHROCTGCIBPH-UHFFFAOYSA-N 433.386 3.539 0 40 IHAB Cc1cccc(C)c1N1C(=O)N(CC(=O)N2CCC(C)CC2)c2ccccc2S1(=O)=O 10273732 BTCBSOJYXWKRQI-UHFFFAOYSA-N 441.553 3.697 0 40 IHAB COc1cccc(-c2nnc(O)c3c2[C@H](c2ccc(C(C)(C)C)cc2)n2nnnc2N3)c1 10296923 DSNZGSMRXWRDJJ-FQEVSTJZSA-N 429.484 3.837 0 40 IHAB COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccccc2SC)CC1 10323858 OIDGBKKCVWZBIB-UHFFFAOYSA-N 438.546 3.596 0 40 IHAB O=C(NCc1ccccc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 10692239 FRAXJZYHHUOQBR-UHFFFAOYSA-N 441.380 3.852 0 40 IHAB COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CC(=O)N2NC(=O)c2ccccc2)cc1 12285431 BJMVJFPJQACIOG-XMMPIXPASA-N 432.476 3.532 0 40 IHAB c1csc(-c2csc3nc(CN4CCOCC4)nc(-n4nnc5ccccc54)c23)c1 12798817 HTPZSRPJBYMGMA-UHFFFAOYSA-N 434.550 3.986 0 40 IHAB Cc1ccc(Cl)c(OCC(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)c1 12800881 LHHKCPQKTHIBQX-UHFFFAOYSA-N 428.872 3.885 0 40 IHAB COC(=O)C[C@@H](NC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1)c1cccs1 12883454 AVVPSAAQHRJAFK-LJQANCHMSA-N 448.500 3.579 0 40 IHAB CN(C(=O)/C=C/c1ccc(-c2ccc(Br)cc2)s1)[C@H]1CCS(=O)(=O)C1 12985595 MEQGWSMUISVLLX-HEWZJLJBSA-N 440.384 3.836 0 40 IHAB Cc1ccc(NS(=O)(=O)c2c(F)cccc2F)cc1S(=O)(=O)N1CCCCCC1 13058790 AZFSJCAPZUPAMV-UHFFFAOYSA-N 444.525 3.639 0 40 IHAB O=C(CN1C(=O)N[C@]2(CCCc3sccc32)C1=O)NC(c1ccccc1)c1ccccc1 13133700 LSNWWLOQYLBZKI-VWLOTQADSA-N 445.544 3.737 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)/C=C/c2nc3ccccc3s2)c1 13147850 JNZBWFUGGULAGX-OUKQBFOZSA-N 445.566 3.987 0 40 IHAB CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)c1 13163639 BTWUKMJIBFFXLK-KRWDZBQOSA-N 437.496 3.704 0 40 IHAB CCC(C)(C)n1nnnc1[C@H](c1ccc(F)cc1)N1CCN(c2ccccc2OC)CC1 13504107 OMJOOHBJSPJUBZ-QFIPXVFZSA-N 438.551 3.878 0 40 IHAB Cc1cc(C)cc(NC(=O)CN2CCC(NC(=O)c3ccc(Br)cc3)CC2)c1 13562886 RFGXSNDKGYKEQP-UHFFFAOYSA-N 444.373 3.899 0 40 IHAB COc1ccc(-c2ccc(N3CCN(C(=O)Nc4cc(OC)cc(OC)c4)CC3)nn2)cc1 13664464 GTMKIPDZHBZTOF-UHFFFAOYSA-N 449.511 3.524 0 40 IHAB O=C(COc1ccc(Br)cc1)Nc1ccccc1C(=O)NCc1ccco1 13683601 WUBQHFRJPIAMQY-UHFFFAOYSA-N 429.270 3.990 0 40 IHAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CC3)c1 13696191 DXAVOXRNAOCIQM-UHFFFAOYSA-N 444.534 3.769 0 40 IHAB COc1ccc([C@@H](CNC(=O)c2[nH]c(C)c(C(=O)OC(C)C)c2C)N2CCCC2)cc1 14251822 YKSYVAZMNNIRAH-HXUWFJFHSA-N 427.545 3.772 0 40 IHAB Cn1nc(-c2cccnc2)cc1CN1CCN(C(=O)c2cc3ccc(Cl)cc3[nH]2)CC1 19289033 POJSPQTVBMAEFW-UHFFFAOYSA-N 434.931 3.575 0 40 IHAB O=C(c1ccncc1)N1CCC(O)(Cn2ncc3cc(Nc4ccccc4)ccc32)CC1 19373348 UKHONFOOGKHUPB-UHFFFAOYSA-N 427.508 3.842 0 40 IHAB CCOc1cc(C)ccc1OCC(=O)N1CCO[C@@H](c2nc(-c3ccccc3C)no2)C1 19532254 DRAIEMSDIIBECG-OAQYLSRUSA-N 437.496 3.731 0 40 IHAB COc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@H](O)c3c[nH]c4ccc(F)cc34)CC1)O2 19562171 SXCSUEQAIXKWFT-VXKWHMMOSA-N 426.488 3.700 0 40 IHAB Cc1nonc1CC(=O)N1CCO[C@@H](c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)C1 19692328 DYSLPENEWWUJPS-HXUWFJFHSA-N 446.429 3.525 0 40 IHAB COc1ccc(CC(=O)N2CC[C@H](c3c(C(=O)N(C)C)sc4ncccc34)C2)cc1F 19702540 AXVOCBBTCYDAPJ-HNNXBMFYSA-N 441.528 3.704 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N1CC[C@@H](c2cc(COc3ccc(F)cc3)[nH]n2)C1 19704467 IDFAZQKPEYAVPL-MRXNPFEDSA-N 445.516 3.623 0 40 IHAB COCCNC(=O)c1cc([C@@H]2CCN(Cc3cccc(C)c3OC)C2)nc2ccccc12 19761958 VNABSNBCJFNBNN-LJQANCHMSA-N 433.552 3.918 0 40 IHAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)Nc2cc(F)ccc2F)cc1 20019807 WZQJWDBTLPQZBW-UHFFFAOYSA-N 446.475 3.803 0 40 IHAB CC[C@H](NC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O)c1ccc(C)cc1 20459483 ZSUPTSHDDPGGMR-SFHVURJKSA-N 439.375 3.791 0 40 IHAB CCc1cc(C(=O)N2CCN(Cc3nc(-c4ccc(OC)cc4)no3)CC2)sc1C 22227041 OXBVDVFUVBYUEH-UHFFFAOYSA-N 426.542 3.636 0 40 IHAB COc1cc([C@H](c2sc3nc(C)nn3c2O)N2CCC(C)CC2)cc(OC)c1OC 23157956 MBCKHKWCAOWTED-QGZVFWFLSA-N 432.546 3.652 0 40 IHAB Cc1cc(S(=O)(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)c(C)s1 23437668 VNJPMOLQNJVCSJ-UHFFFAOYSA-N 433.624 3.995 0 40 IHAB O=C1CCCN1c1ccc(OCC(=O)N2CCC[C@@H]2COc2ccc(Cl)cc2)cc1 24553386 KYRWWJJUHRMAEZ-LJQANCHMSA-N 428.916 3.916 0 40 IHAB CCCCn1nc(C(=O)OCc2cc(Cl)c3c(c2)OCCO3)c2ccccc2c1=O 26045616 AYPLJNHWGKBBOX-UHFFFAOYSA-N 428.872 3.978 0 40 IHAB C[C@]1(NC(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)CCS(=O)(=O)C1 30998134 YSHKIWSLJQTZAX-FQEVSTJZSA-N 432.592 3.775 0 40 IHAB COc1cccc(CNC(=O)N(Cc2ccc(Cl)cc2)S(=O)(=O)c2cccnc2)c1 32616653 SKBYPOQJMOWYFW-UHFFFAOYSA-N 445.928 3.844 0 40 IHAB CCOc1cc2c(cc1CNC(=O)C1CCN(C(=O)c3ccccc3C)CC1)O[C@@H](C)C2 32741043 JAVOYNGEAVQOTK-SFHVURJKSA-N 436.552 3.886 0 40 IHAB CCOC(=O)c1cnn(-c2cccc(NC(=O)COc3ccc(C(=O)CC)cc3)c2)c1C 32832588 QWXHJOYVESJEGD-UHFFFAOYSA-N 435.480 3.968 0 40 IHAB O=C(Nc1nc(-c2ccccc2Cl)cs1)c1cccc(CN2C(=O)CNC2=O)c1 32901032 XJSYHUQBBRUDHO-UHFFFAOYSA-N 426.885 3.768 0 40 IHAB Cc1cccc(C2=NC3(CCN(C(=O)Nc4cccc(C(F)(F)F)c4)CC3)NC2=O)c1 33267532 AAVLCXHEUQCAHT-UHFFFAOYSA-N 430.430 3.957 0 40 IHAB CCOC(=O)[C@H]1CCCN([C@H](c2cccc(F)c2)c2sc3nc(CC)nn3c2O)C1 36370442 LBZWKNDPUBTGPH-WMLDXEAASA-N 432.521 3.562 0 40 IHAB Cc1ccc(SCCNC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1 44791511 KIIWNKJTKDNQKG-UHFFFAOYSA-N 426.991 3.631 0 40 IHAB C[C@H](C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1)N1CCc2ccccc21 48324006 WRVBZDRPIZVOMI-OAHLLOKOSA-N 432.351 3.729 0 40 IHAB NC(=O)Cc1ccc(NC(=O)c2ccc(COc3ccc(Br)cc3)o2)cc1 48332324 FNYPKUKKKMQLLV-UHFFFAOYSA-N 429.270 3.901 0 40 IHAB O=C(Cn1cccc1-c1nc(-c2ccc3c(c2)OCO3)no1)NCc1ccccc1Cl 57487111 YRDFPBZVZNSVJZ-UHFFFAOYSA-N 436.855 3.904 0 40 IHAB O=C(N[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1)c1ccc(-n2ccnc2)nc1 58377968 XFGQCVWIKULXEG-LJQANCHMSA-N 439.475 3.595 0 40 IHAB Cc1cc(NC(=O)c2nnn(CC(=O)Nc3ccccc3C)c2C)ccc1Br 67323469 GTLANMDFJBEIHD-UHFFFAOYSA-N 442.317 3.857 0 40 IHAB CC[C@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)c1cnn(-c2ccc(=O)[nH]n2)c1C 96012088 POMZLHVHOGOSDQ-IBGZPJMESA-N 446.555 3.626 0 40 IHAB CSCC[C@H](C(=O)NCc1ccc(C(F)(F)F)cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 102118109 VMKGZERQGSXEMK-IXDOHACOSA-N 442.503 3.619 0 40 IHAB CCOC(=O)c1c(NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)sc2c1CC[C@@H](C)C2 102440966 JFYNDMLYDBQILR-ILXRZTDVSA-N 446.569 3.553 0 40 IHAB Cc1ccc(N(CCCC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)cc1 219627853 BLRCRQMUNMGHBG-FQEVSTJZSA-N 430.570 3.960 0 40 IHAB CN(CCCC(=O)NCCSCc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 219711116 IFLDZJQWFLGZDS-UHFFFAOYSA-N 441.018 3.790 0 40 IHAB Cc1ccc(OC[C@H](C)NC(=O)[C@H](C)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 220373425 IEWPPWBRUNEPBX-IRXDYDNUSA-N 438.977 3.695 0 40 IHAB Cc1ccc(NC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1Cl 222670978 BYJFJSMGYGNAIV-UHFFFAOYSA-N 438.933 3.605 0 40 IHAB CCOC(=O)CN(c1ccc(C(=O)OCC)cc1C)S(=O)(=O)c1ccc(Cl)cc1 224720415 HQLORJUVUNDYSR-UHFFFAOYSA-N 439.917 3.584 0 40 IHAB CC(C)Oc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc(Br)cc2)cc1 224740815 SAGPHFKMVFWWIP-UHFFFAOYSA-N 428.304 3.516 0 40 IHAB COc1cc(NC(=S)NC2CCN(C(=O)c3ccccc3)CC2)c(OC)cc1Cl 225226749 QCVMBPYUCJRTMS-UHFFFAOYSA-N 433.961 3.948 0 40 IHAB O=C(NCCSC1CCCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 225545336 DXCDEPSPXZNCRU-MRXNPFEDSA-N 445.050 3.923 0 40 IHAB CSc1ccc(S(=O)(=O)Nc2nnc(-c3ccc(C)cc3)s2)cc1NC(C)=O 225600910 NOMXUDFNNQXJST-UHFFFAOYSA-N 434.568 3.995 0 40 IHAB COc1cccc2c1OC(C)(C)[C@H]1CC3(CCN(C(=O)c4cn(C)nc4C)CC3)CO[C@H]21 257255723 KIQKHNSQXNDAMR-PZJWPPBQSA-N 439.556 3.908 0 40 IHAB Cc1ncsc1C(=O)N1CCO[C@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1 257304108 SKCWAAYDMMOEAN-SFHVURJKSA-N 432.933 3.663 0 40 IHAB Cc1nc([C@@H]2CCN(C(=O)c3cccc(F)c3)C2)nc(C)c1CC(=O)NC1CCCCC1 257312899 UQCYOOXTGZAVOT-LJQANCHMSA-N 438.547 3.854 0 40 IHAB CC(C)NC(=O)c1sc2ccccc2c1[C@@H]1CCN(C(=O)c2cn3cccnc3n2)C1 257318857 VPROHVLUFGDXOB-OAHLLOKOSA-N 433.537 3.712 0 40 IHAB CN(C)c1ncc(-c2ccc(Cl)c(F)c2)c([C@@H]2CCCN(C(=O)Cn3cccn3)C2)n1 257327525 XBRQBXFJXDPOTL-MRXNPFEDSA-N 442.926 3.605 0 40 IHAB Cc1cc(OC[C@@]2(CC(=O)N3CCN(C)CC3)CCCN(CC3CC3)C2)ccc1Cl 257343428 ZSZPFOPVFMEFHK-XMMPIXPASA-N 434.024 3.684 0 40 IHAB COc1ccc([C@@H](CC(C)C)NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1 260897671 JVXCIYLRDKCCRC-NZQKXSOJSA-N 444.597 4.000 0 40 IHAB Cc1cc(NC(=O)COC(=O)CCC(=O)NCc2ccccc2)c(C)cc1Br 408665965 MWIZNXXHLKMPIP-UHFFFAOYSA-N 447.329 3.644 0 40 IHAB COC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2C)c1C 408700720 KVNVCWGVRQWRPQ-UHFFFAOYSA-N 444.553 3.907 0 40 IHAB C[C@@H](NC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)c1ccccc1 409060780 XZUPNPUKPVFDRW-GOSISDBHSA-N 426.513 3.894 0 40 IHAB COCCN1C(=O)S/C(=C/c2cccc(OC)c2OCc2cccc(C(=O)O)c2)C1=O 409135798 QQXLDPIAHBATFW-LDADJPATSA-N 443.477 3.655 0 40 IHAB CS(=O)(=O)N(CC(=O)NCCSC1CCCCC1)c1ccc(Cl)cc1Cl 409410803 QGBXGLLDRBVSIH-UHFFFAOYSA-N 439.430 3.942 0 40 IHAB CC(=O)N1CCc2ccc(S(=O)(=O)N3C[C@@H](c4ccccc4)c4ccccc43)cc2CC1 570266903 QLJWYLOUDGPACI-VWLOTQADSA-N 446.572 3.975 0 40 IHAB CC(=O)N1CC2=C(C1=O)[C@H](c1cnn(C)c1C)c1cn(CCC(C)C)c3cccc(c13)N2 604406366 RQXTYXLCICMAPH-JOCHJYFZSA-N 431.540 3.930 0 40 IHAB biogenic O=C(CCNc1ncc(C(F)(F)F)cc1Cl)N[C@H]1CCS(=O)(=O)c2ccccc21 605399684 JYFPTNMIUFHEQF-AWEZNQCLSA-N 447.866 3.591 0 40 IHAB O=C(N[C@@H]1C[C@@H]2CC[C@H]1O2)N(CCO)Cc1cccc(OCc2ccccc2Cl)c1 1639103498 JQXMYPLGLIVFJY-KSEOMHKRSA-N 430.932 3.743 0 40 IHAB COc1cc(NC(=O)N2CC[C@H]3CN(c4cc(C(F)(F)F)ccn4)C[C@@H]32)cc(OC)c1 1889201644 ZGKXDZAQTPXMFB-UGSOOPFHSA-N 436.434 3.860 0 40 IHAB O=C(CSc1nc2ccc(NC(=O)c3ccccc3)cc2s1)NC[C@@H]1CCCO1 878012 XKEYKCZHTMMBKS-INIZCTEOSA-N 427.551 3.936 0 40 IHAB CC1=C(C(N)=O)[C@@H](c2ccc(Br)cc2)N2NC(c3ccccc3Cl)=NC2=N1 940693 XNHMJBLPICGUAS-MRXNPFEDSA-N 444.720 3.540 0 40 IHAB COC(=O)C1=CC(C(=O)c2ccc3ccccc3c2)=NN(c2ccccc2)[C@H]1C(=O)OC 983948 GUZBGWNEPBSXDC-JOCHJYFZSA-N 428.444 3.540 0 40 IHAB Cc1ccc(Nc2nc3nonc3nc2Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1C 1052435 DBWGRFURMUKMLD-UHFFFAOYSA-N 442.483 3.915 0 40 IHAB CCCC(=O)Nc1cccc(NC(=S)NC(=O)c2cc(OC)c(OC)c(OC)c2)c1 1266890 KJOAHNSAXRJEBV-UHFFFAOYSA-N 431.514 3.578 0 40 IHAB O=C(CN1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1)NCc1ccccc1F 1380632 RNGRMKLNDUHXQN-UHFFFAOYSA-N 435.425 3.543 0 40 IHAB CCCc1cc(=O)oc2cc(OC(=O)[C@@H](CC)NS(=O)(=O)c3ccc(C)cc3)ccc12 2096095 MOQUDWSJMGRBCK-HXUWFJFHSA-N 443.521 3.716 0 40 IHAB biogenic O=C(COC(=O)c1ccc(Br)o1)Nc1nc2c(F)c(F)c(F)cc2s1 3222119 DSPVYIWYKOCJBV-UHFFFAOYSA-N 435.177 3.865 0 40 IHAB Cn1c(SCC(=O)NCc2ccccc2Cl)nc2sc3c(c2c1=O)CCCC3 3601098 UKGLQYVPEIJKIW-UHFFFAOYSA-N 433.986 3.936 0 40 IHAB CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=S)Nc1cc(C)cc(C)c1 5897580 NQUCRUUKUJWJJQ-UHFFFAOYSA-N 426.586 3.797 0 40 IHAB CCOc1cc(NC(=O)c2ccco2)c(OCC)cc1NC(=O)CCC(=O)N1CCCC1 6600264 ZKYKNFVYMNAVRZ-UHFFFAOYSA-N 443.500 3.670 0 40 IHAB CCc1nnc(NC(=O)CSc2nnc(COc3ccc(Cl)c(C)c3)o2)s1 6878211 RNBRUGSFODTVEC-UHFFFAOYSA-N 425.923 3.755 0 40 IHAB COc1ccc(-c2cc(C[C@H]3CNCC[C@H]3CC(=O)NCc3ccc(F)cc3)no2)cc1 8623697 FXYPLLLCNHKNOY-PMACEKPBSA-N 437.515 3.964 0 40 IHAB biogenic,in-vitro Cc1cc2oc(=O)cc(COC(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)c2cc1Cl 8760379 WGERETWNUHVURN-INIZCTEOSA-N 425.868 3.847 0 40 IHAB C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@@]4(C)[C@H]3C[C@H](O)[C@@]21C 8837269 WVULKSPCQVQLCU-NPGFVZTASA-N 449.632 3.594 0 40 IHAB Cc1c(NC(=O)[C@H](C)Sc2nnc(NCC(C)C)s2)c(=O)n(-c2ccccc2)n1C 8965733 BKPGPBHMECIXSZ-AWEZNQCLSA-N 446.602 3.523 0 40 IHAB Cc1ccccc1[C@@H]1CC(=O)c2c(C)nc(N3CCN(C(=O)c4ccco4)CC3)nc2C1 9287263 DZPIGENKDLNJGV-SFHVURJKSA-N 430.508 3.562 0 40 IHAB Cc1nnc(SCC(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)n1Cc1ccccc1 9467345 NLZOHPWSDRQRHH-KRWDZBQOSA-N 432.553 3.790 0 40 IHAB COc1cc(OC)c(NC(=O)[C@@H]2CS[C@@]3(c4cccs4)CCC(=O)N23)cc1Cl 9544896 JISGBUZOVZWBOK-ORAYPTAESA-N 438.958 3.948 0 40 IHAB O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)Nc1ccc(C(F)(F)F)cc1 9599802 NMYRWKJFZICMOK-UHFFFAOYSA-N 430.415 3.936 0 40 IHAB COc1cccc(-c2ccc3nnc(SCC(=O)Nc4ccc(C(C)=O)cc4)n3n2)c1 9829137 WQVSSTWFIFTBNG-UHFFFAOYSA-N 433.493 3.733 0 40 IHAB COc1ccc(NC(=O)Cn2cc(C(=O)c3ccccc3)c(=O)c3ccccc32)c(OC)c1 9855592 RSCQKRJSSGMCFX-UHFFFAOYSA-N 442.471 3.888 0 40 IHAB Cc1ccc(Nc2nc3nonc3nc2Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(C)c1 9860995 FHZXKPDIGYPIQQ-UHFFFAOYSA-N 442.483 3.915 0 40 IHAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 9862925 YPNFWEDYDCKPNH-HUUCEWRRSA-N 437.521 3.640 0 40 IHAB CCCOC(=O)c1cc(NC(=O)COc2ccc(Cl)cc2)ccc1N1CCOCC1 9934579 PSPPLLXFSGJFAS-UHFFFAOYSA-N 432.904 3.761 0 40 IHAB CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)COc2ccc(Cl)c(C)c2)CC1 10010518 YHUMRWSPFACHQX-UHFFFAOYSA-N 436.339 3.988 0 40 IHAB COc1ccc([C@@H]2c3c(-c4ccc(Cl)cc4Cl)nnc(O)c3Nc3nnnn32)cc1 10298114 GIYCRJZAPLZMFW-QGZVFWFLSA-N 442.266 3.846 0 40 IHAB Cc1ncc(-c2ccccn2)c(-c2ccc(CNC(=O)c3cc(C)c(C)[nH]c3=O)cc2)n1 12222954 BDEJLOMBWMUQGK-UHFFFAOYSA-N 425.492 3.749 0 40 IHAB Cc1nn(C)c2sc(C(=O)N(C)CC(=O)Nc3ccc(OC(F)(F)F)cc3)cc12 12771477 VZMLVYJCHQBPJO-UHFFFAOYSA-N 426.420 3.553 0 40 IHAB Cc1cc(NC(=O)[C@@H](NS(=O)(=O)c2cccs2)C(C)C)ccc1Br 12775999 XCXVNABXDGKNGM-HNNXBMFYSA-N 431.377 3.761 0 40 IHAB Cc1ccc(C)c(NC(=O)CN2C(=O)C(C)(C)Oc3ccc(C(=O)NC(C)(C)C)cc32)c1 12875164 UQUNBSPMVQYONF-UHFFFAOYSA-N 437.540 3.974 0 40 IHAB CCOC(=O)c1sc(N)c(C(=O)OCC)c1CSc1nnc(C)n1-c1ccccc1 13141536 YHRPLRNCGYQUTO-UHFFFAOYSA-N 446.554 3.865 0 40 IHAB O=C(CSc1nnnn1-c1ccccc1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 13163971 PVCUPKQIXHIUIB-UHFFFAOYSA-N 448.483 3.785 0 40 IHAB COc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccc(C)cc4)[nH]c(=O)c32)cc1OC 13567285 XYDQMZRPTDAKMS-INIZCTEOSA-N 437.521 3.862 0 40 IHAB COc1ccc(OC)c([C@@H]2CC(=O)Nc3nc(SCc4ccccc4C)[nH]c(=O)c32)c1 13567397 VSVIRXZQTCHTQI-KRWDZBQOSA-N 437.521 3.862 0 40 IHAB COc1ccccc1OCCNC(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1 14168802 IIAYTTGRQKUNSS-UHFFFAOYSA-N 429.476 3.512 0 40 IHAB CCN(CC)Cc1ccccc1CNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 14183056 XJUMBCLVAXFCCM-UHFFFAOYSA-N 425.548 3.836 0 40 IHAB COc1ccc(Br)cc1COC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 14197986 LTYMTDLCQAVFPV-UHFFFAOYSA-N 433.707 3.872 0 40 IHAB Cc1ccc(CN(C(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)o1 16742577 QMAVWIRJHCDIAZ-IEBWSBKVSA-N 433.570 3.869 0 40 IHAB CC(=O)Nc1ccc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1 18061404 RDKFKJJETCYGCY-VXNXHJTFSA-N 441.487 3.692 0 40 IHAB COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=S)N2Cc2ccncc2)cc1 18195007 ZTTADAMYZSFYAZ-NRFANRHFSA-N 446.532 3.621 0 40 IHAB CC(=O)N[C@H](C)c1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(C)ccc2O3)cc1 19219242 MERJWJWNRNHRHK-DQMJNTIXSA-N 438.568 3.576 0 40 IHAB C[C@H]1CCc2c(c3ccccc3n2C(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 19371422 ZHECCKBMTPKDEB-IBGZPJMESA-N 445.563 3.953 0 40 IHAB CC(C)c1nc(C[C@H](NC(=O)c2cnc(C(C)(C)C)nc2)c2ccc(F)cc2)cc(=O)[nH]1 19453536 YCLCXJWVXWFDBP-IBGZPJMESA-N 437.519 3.834 0 40 IHAB CCCN1CCN(C(=O)c2ccn(C)n2)C[C@H](Cc2cccc(-c3cccs3)c2)C1=O 19503091 HIYCQGFHVIGWEZ-FQEVSTJZSA-N 436.581 3.702 0 40 IHAB CN(C)C(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)Cc2cccnc2)C1 19580016 PQZGYAGVTJVFOC-RUZDIDTESA-N 433.577 3.902 0 40 IHAB O=C(CN1CCN(C(=O)Cc2ccccc2Cl)CC1)Nc1ccccc1C(F)(F)F 19600899 BIZVIPLMOFFCPE-UHFFFAOYSA-N 439.865 3.684 0 40 IHAB O=C(NC(=S)NC12CC3CC(CC(C3)C1)C2)c1ccc(I)cc1 19631264 DYRHOHZAHMLNRW-UHFFFAOYSA-N 440.350 3.864 0 40 IHAB COCCc1ncc(CN2CCC[C@H](c3nc(N(C)C)ncc3-c3ccccc3)C2)cn1 19694137 DTDIXHIUHRYMRC-NRFANRHFSA-N 432.572 3.568 0 40 IHAB Cc1cnc(NC(=O)CN2CCC[C@H](c3nc(N(C)C)ncc3-c3ccccc3)C2)s1 19694540 BPGHRIRIJPSNFG-SFHVURJKSA-N 436.585 3.793 0 40 IHAB Nc1n[nH]c2nc([C@@H]3CCCCN3C(=O)COc3ccc(F)cc3)cc(C(F)(F)F)c12 19695525 UGQSPWGMHXPZLI-HNNXBMFYSA-N 437.397 3.831 0 40 IHAB NC(=O)c1sc2ccccc2c1[C@H]1CN(C(=O)CCCOc2ccccc2F)CCO1 19697936 GVQDPZAQJBSKDK-GOSISDBHSA-N 442.512 3.898 0 40 IHAB COc1ccccc1CN1C(=O)CCc2c(C)nc([C@H]3CCCN3C3CCOCC3)nc21 19741887 DXICCHKBMASKOM-OAQYLSRUSA-N 436.556 3.589 0 40 IHAB O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1 19862877 XRQBCNMCTUPUDE-CQSZACIVSA-N 428.888 3.799 0 40 IHAB O=C1C[C@@H]2Sc3ccc(Cl)cc3N=C2N1CCN1CCN(c2ccccc2)CC1 20030910 UETVAGQRHIDKPG-FQEVSTJZSA-N 426.973 3.899 0 40 IHAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 20245756 ILUBDDYLEDLIFS-UHFFFAOYSA-N 435.855 3.854 0 40 IHAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cc(S(=O)(=O)NC(C)C)ccc1OC 20483568 CSTMVUQNCBPTKK-FQEVSTJZSA-N 434.558 3.795 0 40 IHAB Fc1ccc(Cn2nnnc2[C@@H](c2ccccc2F)N2CCN(C3CCCC3)CC2)cc1 22929413 KJBVAKONZAKYOO-HSZRJFAPSA-N 438.526 3.649 0 40 IHAB CC1CCN(C(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)CC2)CC1 26108616 LIYJWYLQINRQGD-UHFFFAOYSA-N 433.401 3.794 0 40 IHAB NC(=O)N[C@H](CC(=O)Nc1ccc2c(c1)NC(=O)CO2)c1cccc(Oc2ccccc2)c1 26757883 KTHFHUWELITZKS-LJQANCHMSA-N 446.463 3.548 0 40 IHAB COc1ccc(C2=NN(C(=O)c3ccccc3Br)[C@](O)(C(F)(F)F)C2)cc1 32100966 BLQWHNURKJKHAW-QGZVFWFLSA-N 443.219 3.959 0 40 IHAB O=S(=O)(Oc1ccccc1C(F)(F)F)c1ccc(S(=O)(=O)N2CCCCC2)cc1 32759450 AZALHDGXGOCKRM-UHFFFAOYSA-N 449.472 3.648 0 40 IHAB O=C(Cc1csc(N2CCCC2=O)n1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 32854609 SARFEZJFPMVYEW-UHFFFAOYSA-N 438.484 3.843 0 40 IHAB Cc1cccnc1NC(=O)c1ccc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)o1 35597479 BHVRDUOGKZHKJV-UHFFFAOYSA-N 441.387 3.935 0 40 IHAB CC[C@@H]1CCCCN1C(=O)[C@H](C)S(=O)(=O)Cc1cc(Cl)c2c(c1)OCCCO2 40106125 IVAITIQKTPHRAS-GOEBONIOSA-N 429.966 3.596 0 40 IHAB O=C(NCc1ccc(C(=O)N2CCCCCC2)cc1)c1nc(N2CCCC2)ncc1Cl 40142069 VUBUXXWRZRFDTN-UHFFFAOYSA-N 441.963 3.676 0 40 IHAB CC[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1cccc(Cl)c1C)CC(=O)N2 40390635 GQLWKRQMKWZYLG-KGLIPLIRSA-N 443.935 3.565 0 40 IHAB CC(C)(C)c1ccc(C(=O)N2[C@@H](C(=O)O)COC23CCN(Cc2ccccc2)CC3)cc1 71980619 QWBUUFVGHVPCJX-JOCHJYFZSA-N 436.552 3.902 0 40 IHAB Cn1nc(C(=O)N2CCC[C@H]2c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)ccc1=O 72358149 CJNOYXUJICUNKI-FQEVSTJZSA-N 442.441 3.762 0 40 IHAB COc1ccc(CCC(=O)N2CCC[C@@H](c3nccnc3-c3cccc(C(N)=O)c3)C2)cc1 72358804 MISNFBJXAGWGRM-OAQYLSRUSA-N 444.535 3.590 0 40 IHAB CN1CCN([C@H]2c3cc(-c4ccccc4)cnc3Sc3nc(-c4cccnc4)nn32)CC1 72396301 IWERVXBIKINSCC-HSZRJFAPSA-N 441.564 3.661 0 40 IHAB Cc1ccc(-c2nnco2)cc1NC(=O)NC[C@@H]1[C@H](C)OC(C)(C)N1C(=O)OC(C)(C)C 79021172 UTTZZMSIMQBJJL-WMLDXEAASA-N 445.520 3.927 0 40 IHAB Fc1ccccc1[C@@H](c1nnnn1Cc1ccccc1)N1CCN(Cc2ccccc2)CC1 95232857 XNTZWEDBVDWZOZ-VWLOTQADSA-N 442.542 3.768 0 40 IHAB COc1ccc2c(C)c(CCC(=O)N[C@H](C)C[C@@H](O)c3ccc(F)cc3)c(=O)oc2c1 95423965 DVICZQUJNXXGCL-SPLOXXLWSA-N 427.472 3.810 0 40 IHAB CC(C)(C)c1ccccc1S(=O)(=O)Nc1cc2c(cc1Br)NC(=O)CO2 95964492 YKLNPZZIXBDDDK-UHFFFAOYSA-N 439.331 3.878 0 40 IHAB C[C@H](NC(=O)C1CCN(C(=O)CCc2ccccc2)CC1)[C@H](O)c1ccc(Cl)cc1 95972133 BOPIVHZRDNIXGN-SBUREZEXSA-N 428.960 3.750 0 40 IHAB O=C(C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)NCCC(c1ccccc1)c1ccccc1 96223528 OAXUOIMKQBWYFI-DEOSSOPVSA-N 441.531 3.836 0 40 IHAB Cc1ccc(Cl)cc1N1CCN([C@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2=O)CC1 100155374 YLKJLBDJFQRKFK-IBGZPJMESA-N 436.314 3.895 0 40 IHAB COc1ccc(N([C@@H](C)C(=O)N(C)Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1Cl 216318562 RNFQEJBWJOIKGV-ZDUSSCGKSA-N 445.368 3.815 0 40 IHAB Cc1ccc(N([C@H](C)C(=O)NCCSC2CCCCC2)S(C)(=O)=O)cc1Cl 220361327 IDCJUSYMHYZCCZ-OAHLLOKOSA-N 433.039 3.985 0 40 IHAB CC[C@H](NC(=O)[C@H](CC)N(c1ccc(OC)cc1)S(C)(=O)=O)c1ccc(OC)cc1 220658581 WYGQPLLWOYPSIO-SFTDATJTSA-N 434.558 3.516 0 40 IHAB CCOC(=O)c1cccc(NC(=O)CCCN(c2ccc(CC)cc2)S(C)(=O)=O)c1C 222647774 ISVIOWINHALHKT-UHFFFAOYSA-N 446.569 3.919 0 40 IHAB CSc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)CC(C)(C)c2ccccc2)cc1 223749179 FKMPOHJMLDFINW-KRWDZBQOSA-N 434.627 3.902 0 40 IHAB CC(C)c1ccccc1OCCNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 223786413 XKQSRHANQNLAQK-UHFFFAOYSA-N 444.597 3.547 0 40 IHAB CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)COc1cc(C)c(Cl)c(C)c1 223997008 SBQQVLMRXHRRRJ-QGZVFWFLSA-N 432.948 3.898 0 40 IHAB COc1ccc(Cl)cc1N([C@@H](C)C(=O)NCCc1ccc(Cl)cc1)S(C)(=O)=O 224011077 HVDUQUNXOIDWTE-ZDUSSCGKSA-N 445.368 3.515 0 40 IHAB CCSc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2C)s1 224958563 AWZZATNHTNEQDA-UHFFFAOYSA-N 440.616 3.631 0 40 IHAB CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccc(Cl)cc1 225441773 PDOPEPFUTWXCAH-CYBMUJFWSA-N 439.737 3.645 0 40 IHAB CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccccc1Cl 225462109 BKJFSJQDPSAACU-ZDUSSCGKSA-N 439.737 3.645 0 40 IHAB Cc1cccc(CCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)c1 225546943 WNTOHAWGXLDHMP-IBGZPJMESA-N 434.989 3.798 0 40 IHAB COc1ccc(CSCC(=O)N(Cc2cccc(OC)c2)[C@H](C)C(=O)NC(C)C)cc1 225652006 HQLKEEXVQMLKNT-GOSISDBHSA-N 444.597 3.879 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](C)CCc3ccccc3)C2)c1 225924009 JTNBKBMUEGOFOY-RBBKRZOGSA-N 428.598 3.842 0 40 IHAB CN(CC(=O)NCc1cccc2ccccc12)S(=O)(=O)c1ccc(Br)cc1 226020773 SLZHNUATAHZLGF-UHFFFAOYSA-N 447.354 3.539 0 40 IHAB COc1cccc2cc(C(=O)N3CCC(c4n[nH]cc4C(=O)N4CCCC4)CC3)c(C)nc12 257339881 ZDOLHBJQNJDGIA-UHFFFAOYSA-N 447.539 3.531 0 40 IHAB C[C@@H]1CCCC[C@H]1NC(=O)CSc1n[nH]c(-c2cc(Br)ccc2O)n1 408545527 UDQLLWLYTMWDNN-ZWNOBZJWSA-N 425.352 3.727 0 40 IHAB Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2c(F)cccc2F)cc1 408558077 IJUNJCGJNDPHAH-HXUWFJFHSA-N 430.476 3.802 0 40 IHAB O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl)NCCC1=CCCCC1 408582879 FOTBEQYSXZAJTM-UHFFFAOYSA-N 440.993 3.946 0 40 IHAB CC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)cc1 408648629 ZZWRJDYJTPTFRQ-CQSZACIVSA-N 449.290 3.731 0 40 IHAB COc1ccc(OC)c(NC(=O)c2ccc(N3C(=O)[C@H]4[C@@H]5C[C@H](C=C5C)[C@H]4C3=O)cc2)c1 408670694 JAYPRCGINJQSLU-OZPQRRJYSA-N 432.476 3.658 0 40 IHAB Cc1cccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2C)c1 409131542 YDWIHTKBNXQFCO-KRWDZBQOSA-N 437.569 3.962 0 40 IHAB Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 409381561 GPQUMRKFZZOVTE-UHFFFAOYSA-N 428.913 3.739 0 40 IHAB Cc1nn(-c2ccccc2F)c(C)c1[C@H]1COCCN1C(=O)c1ccnc2ccncc12 504046646 WEBXFKGIRFGEOZ-JOCHJYFZSA-N 431.471 3.785 0 40 IHAB O=C(CCCCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)Nc1cc[nH]n1 524732693 JQMQRDHHKLMRFJ-JOCHJYFZSA-N 429.480 3.724 0 40 IHAB NC(=O)c1ccc(OCCC(=O)Nc2ccc(Oc3nncc4ccccc34)cc2)cc1 541243785 QWKZZHKZTQGTCG-UHFFFAOYSA-N 428.448 3.929 0 40 IHAB O=C1CCCN1CCOc1ccc(C(=O)N2[C@H](c3ccccc3)C[C@H]3NCCCC[C@@H]32)cc1 585261643 BOLQXZPDRRNVEX-DSITVLBTSA-N 447.579 3.786 0 40 IHAB COCC(=O)N1CCCCCCN(C)C(=O)c2ccccc2OC[C@@H]1Cc1ccccc1 643583242 LWHLGJCHNMFAKR-QFIPXVFZSA-N 438.568 3.798 0 40 IHAB O=C(Nc1ccc(Oc2ccc(Cl)cc2)nc1)C(=O)N1CCC[C@H](c2cc[nH]n2)C1 674198288 QGFIRYQEWNYUJY-AWEZNQCLSA-N 425.876 3.595 0 40 IHAB COc1ccc(C(=O)N2CCC3(CC[C@@H]3NC(=O)CCc3ccccc3)CC2)c(OC)c1 1565554160 SLDBRYDIKXSJDK-QHCPKHFHSA-N 436.552 3.838 0 40 IHAB COc1ccccc1[C@H]1CN(C(=O)C2(Cc3ccc(F)cc3)CCN(C)CC2)CCN1C 1848352604 XTEZDOSTBIOIDS-HSZRJFAPSA-N 439.575 3.604 0 40 IHAB COC(=O)[C@H](NC(=O)c1ccccc1)[C@@H](c1ccc(Cl)cc1)P(=O)(OC)OC 1626665 PHLNZBHKQDKZBX-IAGOWNOFSA-N 425.805 3.839 0 40 IHAB Cc1c(O[C@H](C)C(=O)N[C@H](C(=O)O)c2ccccc2)ccc2c3c(c(=O)oc12)CCCC3 2104679 JUZNJLMPVMZQFK-VFNWGFHPSA-N 435.476 3.690 0 40 IHAB biogenic CCn1cc(Cn2cc(NC(=O)c3cc(Br)ccc3OC(F)F)cn2)cn1 2805296 CJHBTCSXRHZXFP-UHFFFAOYSA-N 440.248 3.764 0 40 IHAB Cc1ccccc1-n1c(SCC(=O)NC(=O)Cc2ccccc2)nc2ccccc2c1=O 3321015 DTSVLSSTTOSSST-UHFFFAOYSA-N 443.528 3.672 0 40 IHAB COc1ccc(-c2cnnn2-c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)cc1OC 3582362 UBOYNVRGSOWZPP-UHFFFAOYSA-N 444.447 3.933 0 40 IHAB CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CCCCC3)cc2c1 6198359 KPQCOZBFKUIKQO-HSZRJFAPSA-N 428.540 3.701 0 40 IHAB CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc(OCc2cn3ccccc3n2)cc1 8862234 WMIKHFXEXYWSPW-UHFFFAOYSA-N 432.455 3.763 0 40 IHAB O=C(CSc1nnnn1-c1ccc(O)cc1)N[C@H](c1ccc(F)cc1)c1cccs1 8880709 JCWJXDXBMRFURZ-LJQANCHMSA-N 441.513 3.566 0 40 IHAB CCCCN(C(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 9113605 AZMMYLSMCZWXGL-NRFANRHFSA-N 437.565 3.969 0 40 IHAB COC(=O)[C@@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccc(F)cc1)C(C)C 9133921 WEHFFUZRUANQCF-VXKWHMMOSA-N 444.503 3.698 0 40 IHAB CCn1c(S[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccc(OC)cc1 9303732 LFMVSJJJQLUQHX-CYBMUJFWSA-N 426.498 3.822 0 40 IHAB CCOC(=O)N1CCc2c(sc(NC(=O)c3nc4ccccc4s3)c2C(=O)OC)C1 9347545 SCCKXVSZEZKXQD-UHFFFAOYSA-N 445.522 3.911 0 40 IHAB Cc1cccc(NC(=O)COC(=O)CCS(=O)(=O)c2cc(Cl)ccc2Cl)c1C 9525810 ZPCMOTGBIBHVNL-UHFFFAOYSA-N 444.336 3.956 0 40 IHAB COc1cc2c(cc1NC(=O)CN1C(=O)N[C@@H](Cc3ccccc3)C1=O)oc1ccccc12 9544736 GYLDXUPVHVERHK-IBGZPJMESA-N 443.459 3.696 0 40 IHAB CCc1ccc(-c2csc(NC(=O)CCCN3C(=O)NC4(CCCC4)C3=O)n2)cc1 9549777 DCTSJSWLNFEBOR-UHFFFAOYSA-N 426.542 3.956 0 40 IHAB O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(OC[C@@H]2CCCO2)cc1 9632351 BPQWWTVGSXFQNE-NRFANRHFSA-N 444.553 3.671 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N(C)Cc3ccccc3)cc2)cc1 9668641 AKGDEBVXJXATIK-UHFFFAOYSA-N 440.521 3.533 0 40 IHAB O=C(NC1CCN(C(=O)c2ccco2)CC1)c1nn(-c2ccc(F)cc2)c2c1CCCC2 11531061 IGOYDNYEHSPETN-UHFFFAOYSA-N 436.487 3.518 0 40 IHAB Cc1ncc(-c2ccncc2)c([C@H]2CCCN(C(=O)C[C@@H]3OC(=O)c4ccccc43)C2)n1 12088631 HIMHIOKBPBRRGG-AVRDEDQJSA-N 428.492 3.855 0 40 IHAB Cc1cc(C)n(C[C@@H](C)C(=O)N2CCC[C@H](n3nnc4cc(C(F)(F)F)ccc43)C2)n1 12184965 WFOKRNACKKQKFU-DYVFJYSZSA-N 434.466 3.763 0 40 IHAB CCCOc1ccc([C@@H](CC(=O)O)NS(=O)(=O)c2ccc(Br)cc2)cc1 12411272 WIPYLOAVCGRUGD-QGZVFWFLSA-N 442.331 3.732 0 40 IHAB CC(C)(C)NC(=O)[C@H](c1ccncc1)N(Cc1ccccc1Cl)C(=O)c1csnn1 12638177 AYMPOYWOIXJNOW-SFHVURJKSA-N 443.960 3.885 0 40 IHAB C[C@@H](CCc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 12999562 MAPLJAVQSGZWLB-KRWDZBQOSA-N 434.989 3.878 0 40 IHAB CC(C)CC[C@@H](C)NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br 13001513 ACNQZFFYOBYCSN-CQSZACIVSA-N 431.396 3.788 0 40 IHAB CCN(C(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C)[C@@H]1CCS(=O)(=O)C1 13003295 SZSIAUZOBNLIKD-CQSZACIVSA-N 432.489 3.787 0 40 IHAB COc1ccc([C@H]2CC(=O)N(c3cccc(Br)c3)C3=C2C(=O)OC3)cc1OC 13567548 JDAVCWDDKWZBJD-OAHLLOKOSA-N 444.281 3.798 0 40 IHAB CC[C@H](C(=O)NCCSCc1cccc(C)c1)N(c1ccc(F)cc1)S(C)(=O)=O 13715530 OYGPSDPKTCCBDF-HXUWFJFHSA-N 438.590 3.728 0 40 IHAB C[C@@H](NCC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1)c1cccs1 14169650 ITVOIDOZPHEATJ-MRXNPFEDSA-N 429.567 3.863 0 40 IHAB Cc1nc(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)c2c3c(sc2n1)CCCCC3 14198573 SDNPUWVZVGVLOL-OAQYLSRUSA-N 435.597 3.617 0 40 IHAB CN(C)[C@H](CNC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1ccccc1 15372432 MVDXAXHEAVPINB-LJQANCHMSA-N 429.567 3.582 0 40 IHAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 15608582 JTVZIFKZXCZJFB-QGZVFWFLSA-N 443.569 3.642 0 40 IHAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1oc2ccccc2c1CSC 15940295 JOGIWXBRCIIPJT-UHFFFAOYSA-N 434.539 3.807 0 40 IHAB Cc1nc(C)n(C[C@@H](C)C(=O)N[C@H](CCc2ccccc2)c2ccc3c(c2)OCCO3)n1 19285899 YSWOAUHXDORNTB-VGOFRKELSA-N 434.540 3.793 0 40 IHAB CNC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)Cc2ccccc2F)CCO1 19591840 SIYHVRMDGAZKPI-HHHXNRCGSA-N 446.522 3.622 0 40 IHAB CNC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)COc2ccccc2)CC1 19700487 ICVJAQRCFSEFNO-UHFFFAOYSA-N 443.547 3.725 0 40 IHAB CNc1nc([C@@H]2CCCN2C(=O)c2csc(Cc3ccccc3)n2)nc2c1CCN(C)C2 19707467 IHKHPQAMIWULAI-FQEVSTJZSA-N 448.596 3.531 0 40 IHAB CNc1nc(C2CCNCC2)nc2c1CCN(C(=O)c1ccccc1-c1ccccc1)C2 19710686 MIDUWKBUWNASIQ-UHFFFAOYSA-N 427.552 3.851 0 40 IHAB Cc1nc([C@H]2CCCN2Cc2cnn(C)c2C)nc2c1CCC(=O)N2Cc1cccc(F)c1 19740642 PAAQUKNOAPBGRM-JOCHJYFZSA-N 448.546 3.783 0 40 IHAB Cc1ccc(CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3cccc(Cl)c3)C2)cc1 19866404 VGZBRJNAYADDLN-OAQYLSRUSA-N 449.016 3.939 0 40 IHAB CCOC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2C)cc1 20061608 QZFAEOZKNLPYSW-UHFFFAOYSA-N 444.553 3.989 0 40 IHAB COc1nn(C)cc1C(=O)Nc1nnc(SCc2cccc(C(F)(F)F)c2)s1 21011236 CGSNCCGPBZJQMH-UHFFFAOYSA-N 429.449 3.844 0 40 IHAB Cc1ccccc1OC[C@@H](C)NC(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 22366175 HBABXBOFBJXVNW-CQSZACIVSA-N 445.368 3.652 0 40 IHAB CCOc1ccccc1CCCNC(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 22394578 WEIBXQQKTKUULZ-UHFFFAOYSA-N 432.586 3.724 0 40 IHAB O=C(NC12CC3CC(CC(C3)C1)C2)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 25065923 PIMLNOPTOFMWSU-XDHFQJGLSA-N 437.005 3.826 0 40 IHAB Cc1oc2nc[nH]c(=O)c2c1C(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 28010758 SEKOIPITSNZZIA-UHFFFAOYSA-N 425.448 3.607 0 40 IHAB COc1cccc(-c2nnc(SCc3nnnn3-c3ccccc3)n2Cc2ccco2)c1 32741621 NXZPREXLWPLEPT-UHFFFAOYSA-N 445.508 3.863 0 40 IHAB FC(F)(F)c1ccc(N2CCCN(c3ncnc4c3cnn4-c3ccccc3)CC2)nc1 32871880 ZNNIYIWKMMCIOU-UHFFFAOYSA-N 439.445 3.946 0 40 IHAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cc2c(C)nn(C)c2s1 32873603 XDUVFPNLIVOVLK-UHFFFAOYSA-N 444.557 3.830 0 40 IHAB CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2nc3c(s2)CCCCC3)cc1 32885732 WYNCMDMYSQWLMY-UHFFFAOYSA-N 449.598 3.654 0 40 IHAB CC(C)NC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCc1ccccc1 35818856 OMIKGPGZUNIDFG-FWPUOYPASA-N 429.601 3.535 0 40 IHAB O=C(c1ccccc1C(F)(F)F)N1CCN(C2=NN=C(c3ccccc3)CS2)CC1 36709924 DNBSTVVIERWIQW-UHFFFAOYSA-N 432.471 3.970 0 40 IHAB O=C(NCc1ccc(N2CCCC2)nc1)c1ccc(-n2cc(Br)cn2)cc1 40087126 XNGUVYJVUPRTKR-UHFFFAOYSA-N 426.318 3.560 0 40 IHAB CCSc1ccccc1NC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 44899874 XOAYCGUJEYFRRA-UHFFFAOYSA-N 443.388 3.966 0 40 IHAB Cc1ccc(C)c(N(CC(=O)N[C@H](CC(C)C)c2ccccc2)S(=O)(=O)N(C)C)c1 44949037 VMQVNSIQKVFYGW-OAQYLSRUSA-N 431.602 3.820 0 40 IHAB COc1ccc(-c2nc(Cn3nnc(C(=O)Nc4ccc(C)c(F)c4)c3N)c(C)o2)cc1 57511876 VMUZFJRSPDTNEQ-UHFFFAOYSA-N 436.447 3.580 0 40 IHAB COc1cc(CN2CCN(c3c(F)cccc3[C@@H](O)c3nccs3)CC2)cc(OC)c1 72340576 LAUKUHSEOFXSLO-JOCHJYFZSA-N 443.544 3.703 0 40 IHAB Cc1oc(C(=O)N2CC=C(n3c(C)nc(=O)c4ccccc43)CC2)cc1CN1CCCC1 72348241 JJOQTEPXRDKYPS-UHFFFAOYSA-N 432.524 3.589 0 40 IHAB CCCN1CCN(C(=O)c2cnn(C)c2C)[C@H](Cc2ccccc2-c2ccccc2)C1=O 72351603 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Cc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@@H]32)c(Cl)c1 101352879 CZKFXHKVOMZBCH-ZWKOTPCHSA-N 446.294 3.542 0 40 IHAB O=C1COc2ccc(-c3cs/c(=N/c4ccccc4)n3CCCN3CCCC3=O)cc2N1 105848648 RNORAEJUJIJQOK-OCOZRVBESA-N 448.548 3.792 0 40 IHAB CN(CC1CC1)C[C@H]1CCN(CC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)C1 106922622 NVRMVWKLVWAEII-UYAOXDASSA-N 426.586 3.683 0 40 IHAB CC[C@@H](NC(=O)CCCN(c1ccccc1OC)S(C)(=O)=O)c1ccc(OC)cc1 113968482 LKYQZAJPXHTNJQ-LJQANCHMSA-N 434.558 3.518 0 40 IHAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NCCCc3ccc(Cl)cc3)CC2)c1 216234152 RXIRICRHASHHRS-UHFFFAOYSA-N 449.016 3.939 0 40 IHAB COC(=O)c1cn(C(=O)CCCN(c2ccc(C)cc2)S(C)(=O)=O)c2ccccc12 222627583 ADXUBZFQMURBQN-UHFFFAOYSA-N 428.510 3.623 0 40 IHAB CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(OC)c(OC)c1 223718573 SJCOEQMVPWYIAH-INIZCTEOSA-N 432.948 3.843 0 40 IHAB CC[C@H](NC(=O)[C@@H](CC)N(c1cccc(OC)c1)S(C)(=O)=O)c1ccc(OC)c(C)c1 225315674 GXLFVAXGAZANIM-LEWJYISDSA-N 448.585 3.824 0 40 IHAB Cc1ccc(-c2nnc(NC(=O)CN(c3c(C)cccc3C)S(C)(=O)=O)s2)cc1 225875387 QLGWRIOQOBIVLY-UHFFFAOYSA-N 430.555 3.535 0 40 IHAB CC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C[C@H]([C@H]3C2=O)[C@H]2ON=C(c3ccccc3Cl)[C@@H]42)cc1 248379844 OCLBEOGWDVALDN-MSGBQLMNSA-N 434.879 3.717 0 40 IHAB Cc1cc(CCCC(=O)N2CCO[C@@H](c3cccc(Nc4ncccn4)n3)C2)ccc1F 257251670 JRQNCKMYZBPIDV-OAQYLSRUSA-N 435.503 3.986 0 40 IHAB Cc1nccn1CC(=O)N1CCC[C@H](c2nc(N(C)C)ncc2-c2ccc(Cl)cc2)C1 257258906 KWALWOUTEMJTFI-SFHVURJKSA-N 438.963 3.774 0 40 IHAB O=C(CC1(COc2cccc(Cl)c2)CCN(C(=O)c2cc[nH]n2)CC1)N1CCCCC1 257326054 WVOOOFBTWAROHQ-UHFFFAOYSA-N 444.963 3.767 0 40 IHAB CC(C)C(=O)N1CCC[C@H]2[C@@H]1C[C@@](C)(Cc1cccc(Cl)c1)N2C(=O)c1cc[nH]n1 257333957 YDVZUSQVBKLLNN-SXWKCWPCSA-N 428.964 3.926 0 40 IHAB COc1ccc(N([C@@H](C)C(=O)N[C@H](C)c2ccc(C)c(C)c2)S(C)(=O)=O)cc1Cl 260455495 XXSMFKDZORIEJY-CVEARBPZSA-N 438.977 3.997 0 40 IHAB CCOc1ccc(N([C@@H](CC)C(=O)N[C@H](C)c2ccc(OC)cc2)S(C)(=O)=O)cc1 260591972 ONCAMJVCGPMNFI-IERDGZPVSA-N 434.558 3.516 0 40 IHAB COc1ccc(N([C@H](C)C(=O)NCc2ccc3ccccc3c2)S(C)(=O)=O)cc1Cl 260842822 XNMFREOTXMBCJB-OAHLLOKOSA-N 446.956 3.973 0 40 IHAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2C[C@H]2CCCO2)N1c1ccc2c(c1)OCO2 260922589 QEKBBRJTRDFBFL-NLSFWIRASA-N 448.548 3.968 0 40 IHAB COc1cccc(-c2cnc3c(N4CCN(C(=O)Nc5ccccc5)CC4)nccn23)c1 306130373 JDZCRQNSAALPGI-UHFFFAOYSA-N 428.496 3.759 0 40 IHAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2c(c1)N(C)S(=O)(=O)N2C 390828531 RSDGERGQCCHZNQ-JTQLQIEISA-N 430.313 3.530 0 40 IHAB Cc1ccc(-n2c(SCC(=O)NC[C@@H]3CCCO3)nnc2-c2ccccc2O)c(C)c1 408600074 SYISLSWFFFXAMD-KRWDZBQOSA-N 438.553 3.644 0 40 IHAB Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)c2)c(C)c1 408651947 BVLLWORWEQMFKU-BSWISCRUSA-N 446.503 3.634 0 40 IHAB COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccccc2Cl)N2C(=O)CCCC2=O)cc1 408659134 VRPHTLRBXQBRRR-AWEZNQCLSA-N 428.872 3.516 0 40 IHAB O=c1/c(=C\c2ccncc2)sc2n1[C@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 408845384 WIBFZUFOKUOTSN-WLGHQHAYSA-N 439.515 3.853 0 40 IHAB CCOC(=O)c1c(-n2c(C)cc([C@@H]3NC[C@@H](C(=O)O)S3)c2C)sc2c1CCCC2 408980761 XFKBATWRIYMLJJ-FUHWJXTLSA-N 434.583 3.999 0 40 IHAB Cc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccc(Cl)cc3)[C@@H]2c2ccc(C)cc2)cc1 409055818 FFUKPRHISPWVGE-VNGKGULCSA-O 432.931 3.973 0 40 IHAB CCCOc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc(Cl)c3)CC2=O)cc1 409157948 QSUYHCMKMQKKFY-OAHLLOKOSA-N 430.888 3.664 0 40 IHAB COC(=O)COc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1C 409321358 FZFLLWNOFZQBRC-UHFFFAOYSA-N 439.533 3.938 0 40 IHAB Cc1cc(C)cc(NC(=O)CSc2nnc([C@@H](C)NC(=O)c3ccccc3C)n2C)c1 409340355 VTCBRRQBNGJQRE-QGZVFWFLSA-N 437.569 3.962 0 40 IHAB COc1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1cc(C)ccc1OC 409385535 AGBZHPHLOQLZES-UHFFFAOYSA-N 440.521 3.846 0 40 IHAB O=C(N1CCC2(CC1)Oc1ccccc1-c1c2cnn1CCN1CCCC1)C1(F)CCC1 585106387 TVGARQTXLSTPJQ-UHFFFAOYSA-N 438.547 3.748 0 40 IHAB Cc1nn(C)c(C)c1/C=C/C(=O)N1CCC[C@@H](Cc2cc(Nc3nccs3)ncn2)C1 585292436 MGFXJPATWPIIIV-LXXRFIIISA-N 437.573 3.522 0 40 IHAB CCn1cc(C(=O)N2CCCCN(C)C(=O)c3cc(Cl)ccc3OCCC2)c(C)n1 643557963 BXFZKNUXXIPFIK-UHFFFAOYSA-N 432.952 3.642 0 40 IHAB CC(C)NC(=O)N1C[C@@H]2CC[C@@H](CNC(=O)[C@H]3CC[C@H](C)CC3)N2Cc2ccccc21 1565556400 GRCWHFOHAIHMDM-LGGPRVQUSA-N 426.605 3.900 0 40 IHAB CC(C)(C)N1C[C@@H](C(=O)Nc2cscc2S(=O)(=O)c2ccc(Cl)cc2)CC1=O 2037845910 NPUDIRLTSSCJNB-LBPRGKRZSA-N 440.974 3.820 0 40 IHAB Cc1ccc(C)c(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c1C 791075 NCIOFJPCWMVWHN-UHFFFAOYSA-N 425.510 3.825 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CSc2nnc(CNc3ccc(F)cc3)o2)cc1 862164 UGRWXFSUUQDKKU-UHFFFAOYSA-N 430.461 3.728 0 40 IHAB COc1ccc(NC(=O)CSc2nnc3c(n2)[nH]c2c(OC)ccc(Cl)c23)cc1 917732 OHWPMDGLHFMMKP-UHFFFAOYSA-N 429.889 3.908 0 40 IHAB Cc1ccc(OCC(=O)Nc2sc3c(c2C(=O)NC[C@H]2CCCO2)CCC3)cc1C 1100662 RQEFXUFWQXZVSR-QGZVFWFLSA-N 428.554 3.780 0 40 IHAB CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCn1c2ccccc2c2c(C)cc(C)nc21 1404459 XCQVVWGLWOCKBZ-DEOSSOPVSA-N 440.547 3.896 0 40 IHAB NC(=O)c1c(NC(=O)c2ccn(COc3ccccc3F)n2)sc2c1CCCCC2 2798272 HTEJTTGRRLTPDI-UHFFFAOYSA-N 428.489 3.740 0 40 IHAB C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]21C 8837268 WVULKSPCQVQLCU-FHGSCGBJSA-N 449.632 3.594 0 40 IHAB COc1cc(OC)cc(C(=O)N2CCN(c3ccc(NC(=O)c4ccco4)cc3)CC2)c1 8903426 AFQFZLKUZCXRDG-UHFFFAOYSA-N 435.480 3.512 0 40 IHAB COc1cc(/C=C2\N=C(c3cccc(Br)c3)OC2=O)cc(OC)c1OC(C)=O 9065132 LXCDRVPKLSZWDW-CHHVJCJISA-N 446.253 3.736 0 40 IHAB C[C@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3)C(=O)NC[C@H](O)c1ccccc1 9187490 IHGASBHTRQLXPJ-DJJJIMSYSA-N 427.884 3.552 0 40 IHAB CSc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)CCc3ccccc3)CC2)cc1 9226351 STUZSHNAJMNZTJ-GOSISDBHSA-N 446.638 3.947 0 40 IHAB Cc1cc(SCC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)nc2ccccc12 9244688 KZUDGKFLULCXLX-GOSISDBHSA-N 426.563 3.856 0 40 IHAB COc1ccc(C)cc1NC(=O)[C@H](Sc1nnnn1C[C@H]1CCCO1)c1ccccc1 9255347 HTCIESNKNOWRAU-YLJYHZDGSA-N 439.541 3.641 0 40 IHAB COc1ccccc1OCCSc1nnc(CNC(=O)c2ccc(Cl)cc2)n1C 9289731 FPWSTRBFTYSMCE-UHFFFAOYSA-N 432.933 3.578 0 40 IHAB O=C1c2ccccc2C(=O)N1CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1 9393680 XJUNIRHNQRBCJE-ZDUSSCGKSA-N 426.523 3.531 0 40 IHAB CC(=O)c1ccc(N2CCN(C(=O)CCc3c(C)nn(-c4ccccc4)c3C)CC2)cc1 9469915 VFGPOTJNHBVTTO-UHFFFAOYSA-N 430.552 3.973 0 40 IHAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 9478096 BLSAZLTVTKKDTJ-KBXCAEBGSA-N 447.557 3.808 0 40 IHAB Cc1cc(C(=O)COc2ccc(Cl)c3cccnc23)c(C)n1[C@@H]1CCS(=O)(=O)C1 9494280 TXFPJZVTOQRBEJ-OAHLLOKOSA-N 432.929 3.928 0 40 IHAB CCCn1c(-c2ccc(OC(F)F)cc2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 9631501 RLSMDIQFMAGYIO-UHFFFAOYSA-N 426.423 3.613 0 40 IHAB O=C(CNc1ccc(OC(F)F)c(Cl)c1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 11267016 TWUKTNOCNZSYCP-HNNXBMFYSA-N 444.887 3.574 0 40 IHAB CCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)ccc12 11866910 HHJIRPBCFIQOJU-IZJXBPLLSA-N 427.541 3.975 0 40 IHAB biogenic CC[C@H](Oc1ccccc1OC)C(=O)N1CCC(c2nc3ccccc3cc2C(N)=O)CC1 12241544 VBZIXVNARSPFFM-NRFANRHFSA-N 447.535 3.906 0 40 IHAB CN(C)S(=O)(=O)c1cccc(C(=O)N(CCc2cccs2)Cc2cccs2)c1 12739370 WWIAXDYVKJZGCE-UHFFFAOYSA-N 434.608 3.945 0 40 IHAB CC(=O)Nc1ccc(CNC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)cc1 12786976 VCHQOJQWLKPJFV-UHFFFAOYSA-N 441.484 3.515 0 40 IHAB O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1nnc(SCc2ccccc2F)s1 12916468 WMNGUXJEKUUCDJ-UHFFFAOYSA-N 441.513 3.777 0 40 IHAB O=C(COc1ccc2c(c1)CCC(=O)N2)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 12953662 ABQJBNQGQUZHOT-UHFFFAOYSA-N 448.548 3.604 0 40 IHAB Cc1c(Cl)cccc1NC(=O)CNC(=O)c1nn(-c2ccc(Cl)cc2)c(C)cc1=O 12982947 GPAYBCPVLBQKQW-UHFFFAOYSA-N 445.306 3.525 0 40 IHAB C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1N 13038851 NFXCYNOSHBPMAU-ZIAGYGMSSA-N 428.583 3.720 0 40 IHAB CN(C)[C@@H](CNC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1cccc(F)c1 14072508 QNRSVASYNLYNAX-IBGZPJMESA-N 438.469 3.875 0 40 IHAB C[C@H]1Oc2ccc(NC(=O)[C@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)cc2NC1=O 14241497 FRJNWEOTHRYULY-HIFRSBDPSA-N 427.888 3.550 0 40 IHAB CCCc1cc(=O)oc2cc(C)cc(O[C@H](C)C(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)c12 15954721 QGXFHCQDCFOODI-IZJXBPLLSA-N 427.541 3.975 0 40 IHAB biogenic O=C(Cc1csc(-c2ccccc2)n1)NC[C@H](c1ccc(F)cc1)N1CCOCC1 16050725 ZFKQZQOFKLQMGK-OAQYLSRUSA-N 425.529 3.681 0 40 IHAB O=C1S[C@H]([C@@H]2SC(=O)N(Cc3ccc(F)cc3)C2=O)C(=O)N1Cc1ccc(F)cc1 16712629 WDPATGURXYRTJM-IYBDPMFKSA-N 448.472 3.793 0 40 IHAB CCCn1nc(C(=O)O[C@H](C)C(=O)Nc2ccccc2OC(F)F)c2ccccc2c1=O 16824886 BYRSNTXTOVPUEZ-CYBMUJFWSA-N 445.422 3.592 0 40 IHAB CCOC(=O)c1c(NC(=S)NC(=O)c2c(OC)cccc2OC)sc2c1CCC2 17098972 GVAMROPURIDRCQ-UHFFFAOYSA-N 434.539 3.558 0 40 IHAB COc1ccccc1-c1nc2n(n1)[C@@H](c1ccncc1)C(C(=O)Nc1cccnc1)=C(C)N2 17243776 ZOHUEQDPFIEYMT-NRFANRHFSA-N 439.479 3.671 0 40 IHAB C[C@H](Sc1nnc(N2CCCC2)n1-c1cccc(Cl)c1)C(=O)NCC(F)(F)F 17897652 YGCNPAYBYRFKNA-NSHDSACASA-N 433.887 3.680 0 40 IHAB O=C1[C@@H]2[C@@H](C(=O)N1c1cccc(Cl)c1)N1CCCN1[C@H]2c1ccc(Br)cc1 19171414 LTXBXKMAYZVNNP-BZSNNMDCSA-N 446.732 3.638 0 40 IHAB COc1ccc2c(c1)c(C(=O)[C@@H](C)N1CCN(Cc3ccc4c(c3)OCO4)CC1)c(C)n2C 19372340 UJSTUEYFNLCBGU-GOSISDBHSA-N 449.551 3.613 0 40 IHAB CCCn1cc(C(=O)NC2CCN(Cc3cc(-c4ccccc4F)nn3C)CC2)c(C)n1 19526045 XMZYYTQWZXQBEX-UHFFFAOYSA-N 438.551 3.536 0 40 IHAB CNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)c2cnc(C)cn2)CC1 19700278 KIBLRXZXDUIUNZ-UHFFFAOYSA-N 428.536 3.663 0 40 IHAB Cn1cnc2ccc(NC(=O)c3ccc([C@@H]4CCCN(Cc5ccccn5)C4)nc3)cc21 19706074 TYQQYBGBWATDIK-LJQANCHMSA-N 426.524 3.995 0 40 IHAB Cc1cccc(C(=O)Nc2ccc3nc(SCC(=O)N4CCN(C)CC4)sc3c2)c1 19831452 FQPGRFJZFOVEJM-UHFFFAOYSA-N 440.594 3.723 0 40 IHAB O=C(Nc1ccc(F)c(F)c1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 19861044 GMKBGRRATHASFX-AWEZNQCLSA-N 428.888 3.799 0 40 IHAB CC[C@H](NC(=O)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1)c1ccccc1 20487988 YHWMKLZQZMNMDR-QHCPKHFHSA-N 428.598 3.929 0 40 IHAB COc1ccc(C(=O)Nc2cccc(-c3nn4cnnc4s3)c2)cc1Br 21124565 WXVUFRGOILVDRW-UHFFFAOYSA-N 430.287 3.876 0 40 IHAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1Cl 22539403 OQELIWVLYDFNKS-HZPDHXFCSA-N 438.977 3.818 0 40 IHAB COc1ccc(NC(=O)[C@@H](C)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc1 22933263 CIZHAACPPKNFMQ-GOSISDBHSA-N 436.581 3.964 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)Cc2nc(-c3cccs3)oc2C)cc1 24367456 QBAYVGYYCJLSGM-UHFFFAOYSA-N 447.582 3.601 0 40 IHAB Cc1sc2nc(CN3CCOCC3)nc(SCC(=O)Nc3ccccc3)c2c1C 25765158 XEEMQMXPNZSXNN-UHFFFAOYSA-N 428.583 3.871 0 40 IHAB CCN(Cc1nc(-c2cccs2)no1)S(=O)(=O)c1ccc(Br)cc1 28189299 DRHFVLVLIRIYHX-UHFFFAOYSA-N 428.333 3.771 0 40 IHAB CC(C)C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cccc(Cl)c3)cc2)CC1 32125408 IAGWOMOKLADYNQ-UHFFFAOYSA-N 444.988 3.771 0 40 IHAB O=C([C@H](Sc1nnc(C2CC2)n1Cc1ccccc1)c1ccccc1)N1CCOCC1 32741613 FBMSWJABRDYFAM-OAQYLSRUSA-N 434.565 3.896 0 40 IHAB COc1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2)cc1 33389288 XXLYIHHNEWYBKK-UHFFFAOYSA-N 442.493 3.522 0 40 IHAB CCC[C@H](C)NC(=O)CCc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1CCC 36253462 ANCAZYIHVIMQSR-KRWDZBQOSA-N 436.622 3.714 0 40 IHAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1 36579857 KHTZXSJJPXANJV-TZIWHRDSSA-N 438.915 3.505 0 40 IHAB COc1ccc(CNC(=O)c2nnn(-c3ccccc3Cl)c2-c2ccncc2)cc1OC 38487870 ZCPKVSYNPIUHMP-UHFFFAOYSA-N 449.898 3.930 0 40 IHAB C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NCc1nncn1-c1ccccc1 40088215 YNYANJFMAZLKIZ-LBPRGKRZSA-N 435.709 3.767 0 40 IHAB Cc1cc(C)cc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4cccc(Cl)c4)[nH]c(=O)c32)c1 40399348 UBFZKUCGZLEFSU-INIZCTEOSA-N 437.887 3.848 0 40 IHAB Cc1csc2nc(COc3ccccc3NC(=O)COc3ccc(F)cc3)cc(=O)n12 41077389 RRLBRDDGNZWRDI-UHFFFAOYSA-N 439.468 3.800 0 40 IHAB COc1ccc(CN(c2cc(C)cc(C)c2)S(=O)(=O)c2cccn3cnnc23)cc1F 49404961 ZDZMWWMIRSJRSX-UHFFFAOYSA-N 440.500 3.889 0 40 IHAB CCc1ccc(NC(=O)Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3ccccc32)cc1 51357789 VITSWQGXYHGGLH-UHFFFAOYSA-N 431.467 3.552 0 40 IHAB CCN(Cc1cccc(NC(=O)[C@@H](OC[C@H]2CCCO2)C(C)C)c1)C(=O)C(F)(F)F 58045096 JTCDXFQXWUIHQN-MSOLQXFVSA-N 430.467 3.756 0 40 IHAB COc1ccc(Br)cc1CN(C)C(=O)[C@H](C(C)C)N1C[C@H](C)O[C@H](C)C1 58130821 KFCRDOJWKYRVPL-KHYOSLBOSA-N 427.383 3.550 0 40 IHAB CCNS(=O)(=O)c1ccc(C)c(C(=O)NCc2cccc(CN3CCCCCC3)c2)c1 60239172 NYNUUHATFCVKMP-UHFFFAOYSA-N 443.613 3.599 0 40 IHAB C=CC(=O)NCc1ccc(C(=O)NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1 65212441 QIOCRYOIONMQNZ-UHFFFAOYSA-N 428.414 3.623 0 40 IHAB CC(C)OCCOC[C@H](O)CN(C)C(=O)c1sc(-c2ccco2)nc1-c1ccccc1 72310422 QGLCMTYXLWKIGT-GOSISDBHSA-N 444.553 3.945 0 40 IHAB Nc1c([N+](=O)[O-])cc(F)c(N2CCC[C@H](C(=O)Nc3ccccc3)C2)c1Br 78903654 JESDRXJHTGCVEJ-NSHDSACASA-N 437.269 3.934 0 40 IHAB O=C(CCNC(=O)N1CCO[C@@H](c2ccccc2)C1)Nc1ccc(Br)cc1 84525594 DQMMXHPBBAJRGJ-GOSISDBHSA-N 432.318 3.561 0 40 IHAB CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1CC(=O)Nc1ccc(OC)c(OC)c1 95432474 RNMXDBLEJUHJQU-AVRDEDQJSA-N 440.588 3.578 0 40 IHAB O=C(C[C@H]1CC2(CCN(C(=O)NCc3ccccc3)CC2)Oc2ccccc21)NC1CC1 96079988 AHBPAIOPZRFUSS-FQEVSTJZSA-N 433.552 3.966 0 40 IHAB CCCCn1cnc2cc(NC(=O)CN3C=Cc4cc(OC)c(OC)cc4CC3=O)ccc21 96114514 UHJMDYAPMMUYMM-UHFFFAOYSA-N 448.523 3.848 0 40 IHAB biogenic O=C1CN(C(=O)CCC(=O)N2[C@@H]3CC[C@@H]2CC(c2ccc(F)cc2)C3)c2ccccc2N1 100166819 PWGLVNTUJLMNSD-WOJBJXKFSA-N 435.499 3.828 0 40 IHAB CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]12 101152073 WIDOYZJXGXJVAM-SJLPKXTDSA-N 446.290 3.599 0 40 IHAB O=S(=O)(c1ccccc1)C1C[C@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc2c(c1)CCCC2 101322953 GKFKNHHXEOGATC-WOJBJXKFSA-N 445.606 3.723 0 40 IHAB COc1ccc(OC)c([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccccc2)c1 102734987 VQCOQBCTHBUVPH-RJGXRXQPSA-N 448.450 3.894 0 40 IHAB CC(=O)NC12C[C@H]3C[C@H](C1)CC(C(=O)OCC(=O)Nc1c(C)cc(C)cc1Cl)(C3)C2 103000789 JXFIUUQWBQEKDA-PQJGELLGSA-N 432.948 3.914 0 40 IHAB C[C@@H](NS(=O)(=O)c1ccc(NC(=O)c2ccc(C(=O)O)cc2)cc1)[C@H]1C[C@H]2CC[C@H]1C2 108997170 AUOHEGIZVMEXHB-ZUEQLIKTSA-N 442.537 3.740 0 40 IHAB CC1(C)C[C@H]2C[C@](C)(CN2[C@@H](C(=O)O)c2c[nH]c3cc(NC(=O)CCC(=O)O)ccc23)C1 217951336 WDMRDUHOSJOFOP-HXKVFGNASA-N 441.528 3.998 0 40 IHAB CC[C@H](C(=O)N[C@H](C)COc1ccccc1C)N(c1ccc(Cl)cc1)S(C)(=O)=O 219108511 QMYPVLOFCZEWDI-VQIMIIECSA-N 438.977 3.777 0 40 IHAB COC(=O)c1ccc(NC(=O)[C@H](C)N(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 220428867 BEAHHMPJNCPQAT-NSHDSACASA-N 445.324 3.573 0 40 IHAB CC[C@@H](C(=O)N[C@H]1CC(C)(C)Oc2ccccc21)N(c1ccc(OC)cc1)S(C)(=O)=O 220655931 CCNGSPFJGHEHSL-PMACEKPBSA-N 446.569 3.658 0 40 IHAB CCOc1ccc(CCC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC)cc1OCC 222434290 YWNFEWJEXFJIQD-LJQANCHMSA-N 426.557 3.888 0 40 IHAB COc1ccccc1[C@@H](C)NC(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 222755178 ZJXBOJRXRBYIAU-GFCCVEGCSA-N 431.341 3.645 0 40 IHAB CCN(c1ccc(C(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1)S(=O)(=O)CC 223655863 IGUJWJWTHPLLGU-UHFFFAOYSA-N 432.586 3.969 0 40 IHAB CSc1ccc(S(=O)(=O)N(C)Cc2ccccc2F)cc1C(=O)N1CCCCC1 223891860 BEIPIEQIWHJCSE-UHFFFAOYSA-N 436.574 3.994 0 40 IHAB COc1cc(CN2CCN(C(=S)Nc3cccc(C)c3C)CC2)cc(OC)c1OC 225223998 OBSCUROTTSYDRN-UHFFFAOYSA-N 429.586 3.844 0 40 IHAB CCCOc1ccccc1CCCNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 225471852 GXLWYHQIYUHQFT-UHFFFAOYSA-N 444.597 3.625 0 40 IHAB COc1ccc2c(c1)CCC[C@H]2NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 225481925 VJLJVQBYGSKOJK-HSZRJFAPSA-N 442.581 3.598 0 40 IHAB CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCOc1ccccc1 225487600 SRGJYVSJTGYHQY-INIZCTEOSA-N 433.346 3.771 0 40 IHAB CCCN1CCN(Cc2cccnc2N(C)C)[C@H](Cc2cccc(-c3ccncc3)c2)C1=O 257258394 KTRIWDSYSFKRIV-RUZDIDTESA-N 443.595 3.875 0 40 IHAB Cc1ccc(C(=O)N2CCC3(CC2)Oc2ccc(Cl)cc2[C@H]2OCCC[C@@H]23)c(=O)n1C 257262863 LNHJQVCSEHRJTA-PZJWPPBQSA-N 442.943 3.882 0 40 IHAB CC(C)Oc1ccc(N(CCCC(=O)NC[C@H](C)c2ccccc2)S(C)(=O)=O)cc1 260842758 ZCDZNGBBOMZRHF-IBGZPJMESA-N 432.586 3.940 0 40 IHAB CCCOc1ccc(N(CC(=O)N[C@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)cc1 260949444 XESTVNHZWYWLLB-QGZVFWFLSA-N 430.570 3.608 0 40 IHAB Cc1nnc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(Oc3ccccc3)cc2)s1 408678193 BLKJZJFOEFITPF-UHFFFAOYSA-N 440.481 3.539 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCCSCc1ccccc1)c1ccc(Cl)cc1 408694790 MPYTXJKXORDLOW-UHFFFAOYSA-N 441.018 3.936 0 40 IHAB Cc1ccc([C@H]2[C@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccccc2Cl)cc1 409064273 BWZKPZVPKAROPR-GWLUTCJNSA-O 436.894 3.804 0 40 IHAB CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1ccc(-c2ccc3c(c2)CCO3)cc1 521461402 KUGKAQQAZPSIEN-VWLOTQADSA-N 426.516 3.878 0 40 IHAB Cc1ccc([C@H]2CCCCCN2C(=O)NCc2cccc(C(=O)N3CCOCC3)c2)o1 547427977 QEUGWUKBCNBPNG-OAQYLSRUSA-N 425.529 3.887 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CC[C@H](N4CCCC4)[C@@H]3C)c2)cc1F 561754521 QFQMHPYRJWDWDY-JTSKRJEESA-N 445.560 3.634 0 40 IHAB O[C@H]1CN(Cc2ccc(OCCn3cc(Cl)cn3)cc2)C[C@@H]1Oc1cccc(Cl)c1 1615189508 WWEOHRPHJQRFBI-VXKWHMMOSA-N 448.350 3.893 0 40 IHAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3c(C)ccc(C)c3C)cc2)no1 958623 SVAPCJXCCKLYGT-UHFFFAOYSA-N 429.498 3.727 0 40 IHAB CCOC(=O)c1c(NC(=O)CSc2nc3nc(C)cc(C)n3n2)sc(CC)c1C 2631981 KCZFEJUSOGYPLN-UHFFFAOYSA-N 433.559 3.581 0 40 IHAB CCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ncc(C)s2)ccc1OC 3449364 YSRUUWGRVHFBIJ-UHFFFAOYSA-N 445.566 3.923 0 40 IHAB Cc1c(Cl)cccc1-n1c(SCC(=O)N2CCCC2=O)nnc1-c1ccncc1 3477147 PVSFWFKGSAIHCK-UHFFFAOYSA-N 427.917 3.532 0 40 IHAB O=C(CSc1nc2ccccc2c(=O)n1Cc1ccccc1)Nc1ccc2c(c1)OCO2 3491028 LMXXAGSWAPNFLQ-UHFFFAOYSA-N 445.500 3.904 0 40 IHAB Cc1cccc(NC(=O)CN2C(=O)[C@]3(SCC(=O)N3c3ccccc3)c3ccccc32)c1 8595036 OQQJFIDJHIBHMK-RUZDIDTESA-N 443.528 3.913 0 40 IHAB COc1ccccc1-n1ncc2c(=O)[nH]c(SCC(=O)Nc3ccc(Cl)cc3)nc21 8602084 IYQLHLQQEQIACI-UHFFFAOYSA-N 441.900 3.502 0 40 IHAB COc1ccc(S(=O)(=O)NCCSc2ccc(C)cc2)cc1C(=O)N1CCCCC1 9426087 AXUTZGCESMHGKQ-UHFFFAOYSA-N 448.610 3.700 0 40 IHAB Cc1ccsc1CN(C(=O)c1ccccc1Br)[C@@H]1CCS(=O)(=O)C1 9431275 KZULSVDJDOCZCF-CYBMUJFWSA-N 428.373 3.649 0 40 IHAB O=C(CSc1nnc(NCc2ccccc2)s1)c1c[nH]c(C(=O)N2CCCC2)c1 9460423 FMFIELNHMQBRKC-UHFFFAOYSA-N 427.555 3.689 0 40 IHAB CS(=O)(=O)Nc1ccc(C(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)cc1 9672375 CFOBYAMGNOZPBD-UHFFFAOYSA-N 442.566 3.550 0 40 IHAB O=C(CSc1nnc(-c2ccccn2)n1-n1cccc1)Nc1ccc(F)c(Cl)c1 9707857 VGGRVVJFKUTZLZ-UHFFFAOYSA-N 428.880 3.976 0 40 IHAB O=C(CN1CCC(C(=O)Nc2ccccc2)CC1)Nc1ccccc1C(=O)NC1CCCC1 9712047 LRAXXSCQVBBRQA-UHFFFAOYSA-N 448.567 3.648 0 40 IHAB Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N2CCN(c3ncccn3)CC2)cc1 9765427 LPEDLMVKINCGSP-UHFFFAOYSA-N 438.535 3.659 0 40 IHAB Cc1ccc(C(=O)NCCCN2CCCC2)cc1S(=O)(=O)Nc1cccc(C)c1C 10112486 IFCGHVCINHMPNF-UHFFFAOYSA-N 429.586 3.628 0 40 IHAB Cc1cc(C(=O)NCCSCc2c(F)cccc2Cl)ccc1NS(C)(=O)=O 10365561 XNQOECOOKAWXRG-UHFFFAOYSA-N 430.954 3.822 0 40 IHAB Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)N2CCC(NC(=O)c3ccccc3)CC2)c1 10782280 XVFPAPXLFCGACP-UHFFFAOYSA-N 449.580 3.727 0 40 IHAB COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CSc1nccn1-c1ccc(C)c(C)c1 11211577 QYTQNHDFDBEWAS-NRFANRHFSA-N 435.549 3.708 0 40 IHAB Nc1c(C(=O)NCc2ccccc2Cl)c2nc3ccccc3nc2n1C[C@H]1CCCO1 11691956 HHJQIWBPCDOHAB-OAHLLOKOSA-N 435.915 3.929 0 40 IHAB COCCNC(=O)NC(=O)CSc1nc(-c2ccc(C)c(C)c2)cn1-c1ccccc1 12546396 WLPQJJYKZRZUHN-UHFFFAOYSA-N 438.553 3.720 0 40 IHAB O=S(=O)(N[C@H](CN1CCOCC1)c1ccccc1)c1ccc(Cl)c(C(F)(F)F)c1 12761569 RHGUBPPZAYQMGW-GOSISDBHSA-N 448.894 3.711 0 40 IHAB O=C(NCCc1ccccc1)[C@H](c1ccccn1)N(C(=O)c1csnn1)C1CCCCC1 12873777 SGCLCIOEDWARHW-QFIPXVFZSA-N 449.580 3.808 0 40 IHAB Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@H](C)c1ccc2c(c1)OCCO2 12898006 KHBXLCPAKFZUAO-CYBMUJFWSA-N 448.317 3.528 0 40 IHAB COc1ccc(C(=O)NCc2ccc(F)cc2)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1C 13042332 NYVPCNYAEWKANG-BEFAXECRSA-N 434.533 3.621 0 40 IHAB CCN1C(=O)C(=C(C)Nc2cc(C(C)(C)C)nn2-c2ccccc2)C(=O)N(CC)C1=S 13150327 HPOXFLLDELJPJZ-UHFFFAOYSA-N 439.585 3.851 0 40 IHAB COc1ccc(NC(=O)CSc2ccc(C)cc2)cc1S(=O)(=O)N1CCCCC1 13858020 WMJBUZKHJCXTNI-UHFFFAOYSA-N 434.583 3.909 0 40 IHAB O=C(Cc1csc(NC(=O)c2cccs2)n1)NCc1ccccc1CN1CCCC1 14068459 QRTOHZGXQLXROP-UHFFFAOYSA-N 440.594 3.912 0 40 IHAB COc1ccc(N(Cc2cccs2)C(=O)CN(C)Cc2nc3ccccc3c(=O)[nH]2)cc1 14076521 GFRHFNUAUDCEAB-UHFFFAOYSA-N 448.548 3.658 0 40 IHAB COc1ccc(NC(=O)CN2CC[C@]3(O)CCCC[C@@H]3[C@@H]2c2ccc(O)c(OC)c2)cc1 16032463 SNTJTEVKGUJQCL-DCEDVJGZSA-N 440.540 3.716 0 40 IHAB biogenic COc1ccc(-c2nc(C)c(CCNC(=O)C(=O)Nc3ccccc3C)s2)cc1OC 17135918 OROLTDUFMGSIGA-UHFFFAOYSA-N 439.537 3.742 0 40 IHAB Cc1sc(NC(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)c(C(N)=O)c1-c1ccc(C(C)C)cc1 17136257 UEFMHVVECHMYPR-MVJTYMMSSA-N 442.537 3.763 0 40 IHAB CC(C)NC(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)Cn2cccn2)C1 19449293 MBMKJUZVZCICAS-DEOSSOPVSA-N 436.581 3.598 0 40 IHAB CC[C@@H]1C[C@@H](C(F)(F)F)n2nc([C@@H]3CCN(CC(=O)NCCc4ccccc4)C3)cc2N1 19500904 QSHQDKWTXMNNIN-GGPKGHCWSA-N 449.521 3.729 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CNC(=O)c1ccc(OC(C)C)cc1 19617789 SSZHXGLYCXKLSB-UHFFFAOYSA-N 434.540 3.665 0 40 IHAB CCOC(=O)c1ccc(N(Cc2ccncc2)C(=S)NC(=O)c2ccccc2OC)cc1 22528262 VEHHFKLZQOWUTD-UHFFFAOYSA-N 449.532 3.988 0 40 IHAB Cc1nc2sc([C@@H](c3ccccc3F)N3CCN(c4ccccc4F)CC3)c(O)n2n1 22627165 ZVCUNTQOUIXAFF-LJQANCHMSA-N 441.507 3.995 0 40 IHAB Fc1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CCN(Cc3ccccc3)CC2)cc1 22929124 VJMQEMGLPUPNIC-VWLOTQADSA-N 442.542 3.768 0 40 IHAB Cc1noc(C)c1S(=O)(=O)N1CCN(Cc2ccccc2Oc2ccccc2)CC1 23907764 RPRWFKJGYDLUPQ-UHFFFAOYSA-N 427.526 3.590 0 40 IHAB Nc1nnc(Sc2nc(CN3CCOCC3)nc3scc(-c4cccs4)c23)s1 24527683 UDSZVEVNMFZPAB-UHFFFAOYSA-N 448.624 3.837 0 40 IHAB O=C(c1ccc(Cn2cc(Br)cn2)cc1)N1CCN(c2ccccc2F)CC1 27969929 XOLYIMKHJJUYKV-UHFFFAOYSA-N 443.320 3.795 0 40 IHAB COc1cc(C(=O)N2CCC(c3nnc4ccccn34)CC2)cc(OC)c1Br 28737077 ZGDRJEPYVAQNGJ-UHFFFAOYSA-N 445.317 3.529 0 40 IHAB O=C(Cc1csc(NC(=O)c2cccs2)n1)NCc1ccc(Cn2ccnc2)cc1 30218576 MUDJGNHLOUKUNH-UHFFFAOYSA-N 437.550 3.561 0 40 IHAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)O2 30941466 NPIVXURZYUDOSW-JOCHJYFZSA-N 438.505 3.953 0 40 IHAB COc1ccc(NC(=O)Nc2ccc(OC)c(N3CCCC3=O)c2)cc1N1CCCC1=O 31090928 UDZCYMBQVRBHEG-UHFFFAOYSA-N 438.484 3.601 0 40 IHAB O=C(NCc1ccccc1)C1CCN(C(=O)C2(c3ccc4c(c3)OCCO4)CCCC2)CC1 32421235 BSGKNGSUSNTRQB-UHFFFAOYSA-N 448.563 3.825 0 40 IHAB O=C(Nc1cccc(OC(F)(F)F)c1)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 32809337 INYPJOMXZWMYOE-UHFFFAOYSA-N 432.395 3.761 0 40 IHAB CCOC(=O)c1ccc2[nH]c(CSCC(=O)Nc3ccc(OCC)cc3)cc(=O)c2c1 33064145 HEVFRAOQQMYGPJ-UHFFFAOYSA-N 440.521 3.975 0 40 IHAB CCN(CC(=O)Nc1ccc(OC)cc1OC)S(=O)(=O)c1cc(Cl)ccc1Cl 39985431 URNUQVHWFXHGFS-UHFFFAOYSA-N 447.340 3.660 0 40 IHAB CCc1cccc(NC(=O)Cn2c(=O)n(CCc3ccccc3)c(=O)c3ccccc32)c1 44839569 RAMUIDWEZOJSTN-UHFFFAOYSA-N 427.504 3.607 0 40 IHAB Cc1sc(=O)n(CC(=O)N2CCN(C)C[C@@H]2c2ccccc2)c1-c1ccc(F)cc1 48276917 MLWZQMRGHIIWAP-HXUWFJFHSA-N 425.529 3.540 0 40 IHAB COc1ccc(CNC(=O)Cn2c(-c3cccc(Cl)c3)nc(C)c(C)c2=O)cc1OC 57528245 RJQPHHSINQFJAL-UHFFFAOYSA-N 441.915 3.514 0 40 IHAB CN(Cc1ccccc1)C(=O)C1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1 61719910 PQZUPKDKUIUNNR-UHFFFAOYSA-N 426.524 3.666 0 40 IHAB Cc1ccc(C(=O)c2ccccc2C(=O)NCCn2cnc(-c3ccccc3)cc2=O)cc1 70655810 KWIZBGQNWCPZHK-UHFFFAOYSA-N 437.499 3.880 0 40 IHAB Cc1cc(=O)oc2c3c(cc(OCC(=O)N[C@@H]4CCOC(C)(C)C4)c12)OC(C)(C)CC3 70666435 BPWXANDMCYDCCJ-OAHLLOKOSA-N 429.513 3.658 0 40 IHAB biogenic COc1ccc(OC)c([C@@H](C)NS(=O)(=O)Cc2ccc(Br)cc2F)c1 72318871 FDZZKGAZXJDZJL-LLVKDONJSA-N 432.311 3.786 0 40 IHAB Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)cc1C 89643221 LJYMWVJTOOEEFZ-UHFFFAOYSA-N 443.352 3.883 0 40 IHAB COC(=O)c1nc(NC(=O)Cc2nn(CC(C)C)c(=O)c3ccccc23)sc1C(C)C 95479126 MNDWGZLXYXRJCX-UHFFFAOYSA-N 442.541 3.600 0 40 IHAB O=C1c2ccccc2C(=O)N1CCCc1nn2c(-c3cc4ccccc4o3)nnc2s1 96194043 IOIWMPUAUDGBCK-UHFFFAOYSA-N 429.461 3.828 0 40 IHAB CC(C)N1CCc2c(nc3cc([C@@H]4CCCCN4C(=O)c4ccc(F)cc4)nn3c2O)C1 100234027 ZRACVTFOYNRASJ-NRFANRHFSA-N 437.519 3.708 0 40 IHAB CC[C@H](C(=O)Nc1ccc(OC)cc1OC)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O 222500348 GEKJOXBLOQLZHG-QGZVFWFLSA-N 444.912 3.680 0 40 IHAB CC[C@H](C(=O)Nc1nnc(-c2ccccc2)s1)N(c1cccc(C)c1)S(C)(=O)=O 223798852 HLAPEMQSZLOHMA-QGZVFWFLSA-N 430.555 3.697 0 40 IHAB CC[C@@H](C(=O)Nc1nnc(SC(C)C)s1)N(c1ccc(C)cc1)S(C)(=O)=O 224344035 GONMDUDGXHOWBF-AWEZNQCLSA-N 428.605 3.530 0 40 IHAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N(C)Cc3cccc(F)c3)cc2)cc1 224493496 JBLRWSMQOOYMGH-UHFFFAOYSA-N 442.512 3.932 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCCc1ccc(F)cc1)c1ccccc1C(F)(F)F 224781913 ZESDEKVTYCSITG-UHFFFAOYSA-N 446.466 3.750 0 40 IHAB CCCn1c(=O)sc2cc(S(=O)(=O)Nc3ccc(N4CCCC4=O)c(C)c3)ccc21 225733326 GIWNQHMDYDFYQU-UHFFFAOYSA-N 445.566 3.709 0 40 IHAB CC(C)(C)OC(=O)N[C@]1(CN)[C@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 252516709 WAPZTEYKJAHIHL-DBXWQHBBSA-N 436.961 3.502 0 40 IHAB S=C(NCc1ccc(CNC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1)N[C@@H]1C[C@H]2CC[C@H]1C2 254757124 ZKKNNLRBCRXHKQ-PCPGVINSSA-N 442.698 3.992 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)N2C[C@H](C(=O)NCc3ccccc3)Oc3ccccc32)c1 260830712 QLRFAVWSXKXNDQ-JOCHJYFZSA-N 436.533 3.576 0 40 IHAB Cc1cccc(N2C[C@H](C(=O)Oc3cccc(N4C(=O)c5ccccc5C4=O)c3)CC2=O)c1 408659294 KPHCNYBWZINOQC-QGZVFWFLSA-N 440.455 3.754 0 40 IHAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)cc1 409204534 IGENGVMPJXEKPA-UHFFFAOYSA-N 431.341 3.945 0 40 IHAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc2c(cc1F)N(C)S(=O)(=O)N2C 575611471 FTJNGLTVTVZLGM-VIFPVBQESA-N 448.303 3.669 0 40 IHAB O=C(NCCn1nc(-c2ccc(F)cc2)n(C2CC2)c1=O)c1ccc(C(F)(F)F)cc1 585200156 RQOVUCYTOQLZQQ-UHFFFAOYSA-N 434.393 3.635 0 40 IHAB COCC(=O)N1CCCCCCCN(Cc2cccnc2)Cc2cc(C(=O)O)ccc21 643583210 YKLZEMKXINNLDF-UHFFFAOYSA-N 425.529 3.726 0 40 IHAB CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Br)[C@H](c2ccccc2)C1 1184837288 ONPZVRSHHJTVBX-INIZCTEOSA-N 429.767 3.780 0 40 IHAB CC(C)(C)OC(=O)NC[C@@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1350717557 NOBRXYYUIPPHCS-XMMPIXPASA-N 440.496 3.893 0 40 IHAB COc1cc(-c2noc([C@@H]3CCCN(C(=O)Cc4ccccc4)C3)n2)cc(OC)c1OC 1364108 IBXGBOAVHMZBRJ-QGZVFWFLSA-N 437.496 3.711 0 40 IHAB CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)CSc1n[nH]c(N)n1 3367928 WDLLAWZRAAZAGW-UHFFFAOYSA-N 437.934 3.676 0 40 IHAB C[C@H](Sc1nnc(-c2ccc(OC(F)F)cc2)n1N)C(=O)N1CCCc2ccccc21 3379053 YDAPWPOQLOEZDU-ZDUSSCGKSA-N 445.495 3.720 0 40 IHAB O=C(COc1ccc(Cl)cc1Br)N1CCN(c2ccc(F)cc2)CC1 3449189 LSKCHVLOJLFUNX-UHFFFAOYSA-N 427.701 3.969 0 40 IHAB O=C(NC1CCCCC1)[C@H](c1ccccn1)N(C(=O)c1csnn1)C1CCCCC1 4858841 LJVMNBZZTNKKAU-FQEVSTJZSA-N 427.574 3.898 0 40 IHAB CC(C)OC(=O)CCC/C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCc1ccccc1 5977102 JGZRPRSJSQLFBO-PHQGWADHSA-N 430.585 3.962 0 40 IHAB CCOc1cccc(C(NC(=O)c2ccc(OC)cc2)NC(=O)c2ccc(OC)cc2)c1 8384829 UMDFNRZMYZQRCZ-UHFFFAOYSA-N 434.492 3.961 0 40 IHAB C[C@@H]1CCCC[C@@]12NC(=O)N(Cc1nnc(-c3ccc(Br)s3)o1)C2=O 8734660 HSONPRXCZZXMOQ-JDNHERCYSA-N 425.308 3.561 0 40 IHAB CCOCN(C(=O)Cn1c(CCNC(C)=O)nc2ccccc21)c1c(C)cccc1CC 8871541 BZKTZZOKRVXVAQ-UHFFFAOYSA-N 436.556 3.613 0 40 IHAB COc1cccc(C(=O)NC[C@H](c2cccnc2)S(=O)(=O)c2ccc(Cl)cc2)c1 9006121 PIUXYYOFWIAOEZ-HXUWFJFHSA-N 430.913 3.689 0 40 IHAB Cc1ccc(CN2CCC(C(=O)Nc3ccccc3C(=O)NC[C@H]3CCCO3)CC2)cc1 9063176 NXRGMJIBYHGYQC-JOCHJYFZSA-N 435.568 3.755 0 40 IHAB COc1cc(C)ccc1OCc1nnc(SCC(=O)Nc2cc(F)ccc2C)n1C 9261435 GRBKYPKSCSIWPH-UHFFFAOYSA-N 430.505 3.889 0 40 IHAB CCn1c(SCC(=O)Nc2nc(C)c(C)s2)nnc1[C@H](C)NC(=O)c1ccccc1 9302376 FHCMGEUNLRMVED-ZDUSSCGKSA-N 444.586 3.593 0 40 IHAB Cc1ccc(-n2nc(C)cc2NC(=O)CSc2nnc(NC[C@@H]3CCCO3)s2)cc1 9365893 BFHHDPUJYPBYRU-INIZCTEOSA-N 444.586 3.662 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CSc2ccc3nnc(-c4cccs4)n3n2)cc1 9599790 GWUUQSZHMSYNAB-UHFFFAOYSA-N 439.522 3.760 0 40 IHAB O=C(Nc1ccc(N2CCCCC2)cc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 9716655 ZSFHBPQJWUUIJI-NRFANRHFSA-N 431.533 3.608 0 40 IHAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl 10078176 JEXAJDVURQFJGR-JTQLQIEISA-N 436.839 3.673 0 40 IHAB Cc1cccc(-n2c(C)c(C)n3c4c(=O)n(Cc5ccc(F)cc5)c(=O)n(C)c4nc23)c1C 10271873 AAJZYFSPCGHCMY-UHFFFAOYSA-N 445.498 3.560 0 40 IHAB O=C(Nc1nc(-c2ccccc2)cs1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 10337404 CLOJTPDULLBYHM-UHFFFAOYSA-N 445.541 3.989 0 40 IHAB Cc1ccc(OCC(=O)Nc2ccc3c(c2)CN(S(=O)(=O)c2ccccc2)CC3)cc1 11613150 SBGTUILQGBLROH-UHFFFAOYSA-N 436.533 3.760 0 40 IHAB COc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 11996868 GNXASEDDTSFPHG-QGZVFWFLSA-N 445.928 3.824 0 40 IHAB CCCOc1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1 12138180 XVXQHHAACUBYLE-SFHVURJKSA-N 441.553 3.511 0 40 IHAB C[C@@H]1Cc2ccccc2N1C(=O)C[C@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21 12233097 RNRCFYSHVJZXGZ-QAPCUYQASA-N 443.532 3.597 0 40 IHAB COc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3cccc(Cl)c3)n2)cc1OC 12654632 ZBKDBDGXRBEOOR-CYBMUJFWSA-N 431.876 3.833 0 40 IHAB Cc1ccc(C(=O)CCC(=O)N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)cc1C 12777054 AXMXRYQPLUROBK-UHFFFAOYSA-N 435.568 3.666 0 40 IHAB O=C(CN1CCN(C(=O)c2ccccc2)CC1)Nc1cc(C(F)(F)F)ccc1Cl 13031994 RCDZOFBYYNYLMR-UHFFFAOYSA-N 425.838 3.755 0 40 IHAB Cc1ccc(NC(=O)c2ccc3[nH]nnc3c2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 13112996 BOFBGSKMHDZEFS-UHFFFAOYSA-N 441.900 3.973 0 40 IHAB O=C(Nc1cccc(N2CCCC2=O)c1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 13119761 RCJOKXIGCKJXPH-UHFFFAOYSA-N 441.553 3.630 0 40 IHAB COc1ccc(CCNC(=O)COC(=O)Cc2csc(-c3cccc(Cl)c3)n2)cc1 13130644 HMGUGPKCXNXABL-UHFFFAOYSA-N 444.940 3.917 0 40 IHAB CCOC(=O)c1cc2cc(OC)c(OC)cc2c(C(=O)c2ccc(OC)c(OC)c2)n1 13470137 MKZUTKFAUNOJFV-UHFFFAOYSA-N 425.437 3.677 0 40 IHAB CCc1ccccc1NC(=O)CN1CCC(NC(=O)c2ccccc2Br)CC1 13562899 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CC(C)N1CCC(C(=O)N2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccncc2)CC1 19447779 UQYZGWMHEWVDMH-QFIPXVFZSA-N 436.604 3.779 0 40 IHAB CC(C)NC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)[C@@H]2CCCCO2)C1 19448745 JZDBTRBRGKZLAN-IGKIAQTJSA-N 449.595 3.994 0 40 IHAB CCCNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(C(=O)c2cnccn2)C1 19503553 JFVKAFKIKDOYDY-AREMUKBSSA-N 443.551 3.530 0 40 IHAB Cc1n[nH]cc1C(=O)N1CC[C@@](Cc2ccc(-c3ccccc3)cc2)(C(=O)NC(C)C)C1 19582252 IGHBUBPSPLUAHT-SANMLTNESA-N 430.552 3.985 0 40 IHAB CNC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)COc2ccccc2)C1 19591458 SBMWICJKEWSRQG-HHHXNRCGSA-N 428.532 3.940 0 40 IHAB COc1cc(C)ccc1CN1CCC[C@H]1c1nc(N(C)C)ncc1-c1ccc(C(N)=O)cc1 19689778 JQQHBIQYOYZUNJ-QFIPXVFZSA-N 445.567 3.963 0 40 IHAB COCCOc1cccc(CN2CCC[C@@H](c3nc(-c4ccccc4)c(C(N)=O)[nH]3)C2)c1 19698990 DZXJZYXSYKRTFI-HXUWFJFHSA-N 434.540 3.580 0 40 IHAB CCCc1cc(C(=O)N2CCO[C@H](c3c(C(=O)NC(C)C)sc4ncccc34)C2)no1 19702871 XFIYDAHPPPBOPR-KRWDZBQOSA-N 442.541 3.589 0 40 IHAB CNc1nc([C@@H]2CCCN2)nc2c1CCN(C(=O)C1(c3ccc(OC)cc3)CCCCC1)C2 19707282 OFZPIIVAJJHFMD-NRFANRHFSA-N 449.599 3.738 0 40 IHAB Cc1nc([C@H]2CCCN(C(=O)CCCn3c(C(C)C)nc4ccccc43)C2)ncc1C(N)=O 19763772 PARPRBAIAKSGQH-SFHVURJKSA-N 448.571 3.543 0 40 IHAB O=C(O[C@H](CN1CCC2(CC1)OCCO2)C(F)(F)F)c1cccc(C(F)(F)F)c1 20405418 GXUWOBTUNBQOPU-CQSZACIVSA-N 427.341 3.632 0 40 IHAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)CCc1ncc(-c2ccccc2F)o1 21803335 VWNXOZYRYCTOFN-UHFFFAOYSA-N 442.443 3.961 0 40 IHAB C[C@@H](OC(=O)c1ccccc1CSC1=NCCS1)C(=O)NC(=O)NC1CCCCC1 21867213 IBJVNBKIRHJAPB-CQSZACIVSA-N 449.598 3.726 0 40 IHAB COc1cc(CNn2nnnc2N)cc(Cl)c1OCc1ccc(Cl)cc1Cl 22111753 SVINKVOLBBEJOA-UHFFFAOYSA-N 429.695 3.547 0 40 IHAB C[C@@H](c1nc2ccccc2s1)N1CCN(C(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)CC1 22298661 GHFGEPHVCAIRPP-WMLDXEAASA-N 438.528 3.767 0 40 IHAB COc1ccc2nc(N(CCN3CCOCC3)C(=O)Cc3ccc(C)cc3C)sc2c1 22998464 SYGLQWASYXQLCH-UHFFFAOYSA-N 439.581 3.830 0 40 IHAB CCCn1c(NC(=O)c2cnn(-c3ccc(OC)nn3)c2C(F)(F)F)nc2ccccc21 24597231 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CC(C)(C)OC(=O)N1CCN(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)CC1 40104231 RUATYUXIWMGWBG-UHFFFAOYSA-N 439.438 3.976 0 40 IHAB COc1ccccc1Nc1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1ccc(C(C)C)cc1)CC(=O)N2 40400061 KODUIRCHXYUSDA-MRXNPFEDSA-N 447.495 3.710 0 40 IHAB Cc1nnsc1C(=O)N1CCC(CNC(=O)Cc2ccc(SC(C)C)cc2)CC1 43987010 RLNCBDWMULOUFR-UHFFFAOYSA-N 432.615 3.558 0 40 IHAB COc1ccc(Cc2nnc(C3CCN(C(=O)Cn4cnc5ccccc54)CC3)s2)cc1 49422480 VGNOJEWAUQKWKK-UHFFFAOYSA-N 447.564 3.893 0 40 IHAB Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc(Cl)cc3F)c2=O)c1 57490100 ABUIZTRYQJKGQN-UHFFFAOYSA-N 443.887 3.954 0 40 IHAB O=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc2c(c1)OCCCO2 58160484 CKWKFEUTCSGMTM-UHFFFAOYSA-N 435.446 3.627 0 40 IHAB Cc1cc(C)c(Cn2nc3n(Cc4cccs4)c(=O)c4sccc4n3c2=O)c(C)c1 64946496 FDDRQKAIHWUOLL-UHFFFAOYSA-N 436.562 3.956 0 40 IHAB O=C(Cc1csc(COc2ccc(Cl)cc2)n1)N[C@@H]1CS(=O)(=O)c2ccccc21 72288216 DXYDDLPHZSRINU-QGZVFWFLSA-N 448.953 3.563 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)NC1(c2nc(-c3ccncc3)no2)CCCCC1 77197443 GHRMNMYJDOAQHM-UHFFFAOYSA-N 448.932 3.932 0 40 IHAB Cc1csc(C2(NC(=O)CN3C(=O)c4cc(Cl)c(Cl)cc4C3=O)CCCC2)n1 79033688 XZNVCZPJSFBJPP-UHFFFAOYSA-N 438.336 3.940 0 40 IHAB O=C(COc1cc(C(F)(F)F)nc2ccc(I)cc12)NC1CC1 95983412 RNXLMBQFSNGOKG-UHFFFAOYSA-N 436.171 3.516 0 40 IHAB O=C(Cn1cccc1-c1nc(-c2ccccc2)no1)N1CCN(c2ccc(F)cc2)CC1 98211354 DOCNBMDLYWJYSU-UHFFFAOYSA-N 431.471 3.693 0 40 IHAB O=C(N[C@H]1CCOc2ccccc21)c1ccc2c(=O)n(Cc3ccco3)c(S)nc2c1 103617256 IRCJDYXNJUGFCF-SFHVURJKSA-N 433.489 3.580 0 40 IHAB C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[S@](=O)Cc1csc(Br)c1 107348484 BVNLKEHEZQEKCT-IGMCBMAUSA-N 428.373 3.788 0 40 IHAB COc1ccc(/C=C/C(=O)NCc2nnc(SCc3ccc(C)cc3)n2C)cc1OC 107624867 OSDIQKPPFLRJEM-ZRDIBKRKSA-N 438.553 3.763 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 108914446 BDPRFUKBHXABTC-JPLJXNOCSA-N 434.602 3.814 0 40 IHAB Cc1ccccc1CNC(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 113961628 LIJSPQRJZDMPCO-UHFFFAOYSA-N 428.476 3.876 0 40 IHAB O=C(c1cccc(N2C(=O)CCC2=O)c1)N1CCC(COc2nc3ccccc3s2)CC1 206600173 SLANINAKLMCGDA-UHFFFAOYSA-N 449.532 3.881 0 40 IHAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)NCc2cccc(C)c2)CC1 222613822 IOSJWARFIOKAJE-UHFFFAOYSA-N 444.597 3.844 0 40 IHAB COc1cccc(OC)c1CN(C)C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 224081621 VAAQJVSPFJKYFN-UHFFFAOYSA-N 440.521 3.777 0 40 IHAB CN(C)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CC3(CCCCC3)Oc3ccccc32)c1 225418129 HCCSSOULJUHLRB-HXUWFJFHSA-N 428.554 3.893 0 40 IHAB CC1CCN(c2cc(N3CCCCCC3)nc(NC(=S)NC[C@H]3CCCO3)n2)CC1 225908182 DQQMMIFKEZRJQE-GOSISDBHSA-N 432.638 3.559 0 40 IHAB Cc1ccc(CNC(=S)Nc2nc(N3CCCC3)cc(N3C[C@@H](C)C[C@H](C)C3)n2)o1 225914528 TWDKVKJUHCRTBF-HOTGVXAUSA-N 428.606 3.947 0 40 IHAB Cc1nc(-c2ccc(S(=O)(=O)NC[C@](O)(c3ccsc3)c3ccco3)cc2)co1 240067751 SAOBXMGXGPIXCC-FQEVSTJZSA-N 430.507 3.519 0 40 IHAB Cc1nc2cc([C@@H]3CCN(C(=O)C4CC4)C3)nn2c(C)c1CCC(=O)Nc1ccccc1 257205771 BAMNDZUJQSLNSI-LJQANCHMSA-N 431.540 3.643 0 40 IHAB CN(Cc1ccccc1)C(=O)C[C@H]1CN(C(=O)c2cnco2)CC[C@@H]1Oc1ccccc1 257222761 DUPWSXVPIYGHQC-UNMCSNQZSA-N 433.508 3.633 0 40 IHAB CCn1cc(S(=O)(=O)N2CC[C@@H](c3cc(Nc4ccc(F)cc4)cc(C)n3)C2)c(C)n1 257224584 FCKOXJJFEBHTNQ-QGZVFWFLSA-N 443.548 3.976 0 40 IHAB COc1cccc(N2[C@H]3CCCN(C(=O)c4ccc(OCC(=O)O)cc4)[C@H]3CC2(C)C)c1 257285734 PIOLJHFKQNZTGR-VXKWHMMOSA-N 438.524 3.821 0 40 IHAB CC(C)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1 408610166 VDDFGFDYNZNGDL-LJQANCHMSA-N 444.597 3.622 0 40 IHAB Cc1c(Br)ccc(NC(=O)COC(=O)CCC(=O)NCc2ccccc2)c1C 408664003 IONIKHGFKXEMNS-UHFFFAOYSA-N 447.329 3.644 0 40 IHAB CC(=O)Nc1ccc(NC(=O)COC(=O)CN(Cc2ccccc2)Cc2ccccc2)cc1 408673091 YOCVKAPRPHSQFO-UHFFFAOYSA-N 445.519 3.829 0 40 IHAB CC(C)[C@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)N[C@@H]2CCCC[C@H]2C)n1C 409160435 WZWIPNDPGJLQMF-POAQFYNOSA-N 443.617 3.729 0 40 IHAB Cc1ccc(N(CC(=O)Nc2ccc(Br)cc2F)S(C)(=O)=O)cc1Cl 409253116 VXDZBSRIYOEYAF-UHFFFAOYSA-N 449.729 3.955 0 40 IHAB O=S(=O)(NC[C@@H](O)c1ccc(-c2ccsc2)cc1)c1ccc2c(c1)OCCCO2 575609764 GHUCOBRIUTWSCH-LJQANCHMSA-N 431.535 3.588 0 40 IHAB CN1CCC[C@H](CNC(=O)c2ccc3c(c2)Cc2cccc(c2)C(=O)NCCCCCO3)C1 643577109 FVNZFRQZYFVZOA-OAQYLSRUSA-N 449.595 3.642 0 40 IHAB C[C@H](NC(=O)c1cccc2nc(O)[nH]c12)c1nc(-c2ccc(Br)cc2)no1 1545729730 KAZQWTXOEAMRAK-VIFPVBQESA-N 428.246 3.572 0 40 IHAB Cc1cc2n(n1)C1(CCN(C(=O)Nc3ccccc3F)CC1)CC(=O)N2Cc1ccncc1 1772596593 XBPYLKPFJZJZTQ-UHFFFAOYSA-N 448.502 3.686 0 40 IHAB Cc1ccc(C(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)cc1 670063 KKRMLYLCRBDMJR-QFIPXVFZSA-N 427.456 3.628 0 40 IHAB CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)N1CCN(c3cccc(C(F)(F)F)c3)CC1)C(=O)C2 1093130 HJLLIXPXDJITJH-YWZLYKJASA-N 444.519 3.553 0 40 IHAB CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc3c(c2)OCO3)N2C(=O)CCSC2=N1 1254286 BTBDOVYOGOSQJT-OAQYLSRUSA-N 436.489 3.809 0 40 IHAB COc1ccc(CCN(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)C(F)(F)F)cc1OC 1359276 JYGCJHHVSOPFMC-UHFFFAOYSA-N 448.441 3.987 0 40 IHAB Cc1nn(-c2ccccc2)c2c1cc1c(=O)[nH]c(=O)nc-1n2-c1ccc(Cl)c(Cl)c1 2252969 WBFGZJXFYVOADA-UHFFFAOYSA-N 438.274 3.980 0 40 IHAB COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)Nc2ccc3c(c2)OCCO3)n1 2622867 RQOQOYCOTBTOAN-UHFFFAOYSA-N 432.889 3.636 0 40 IHAB CCCCn1c(=O)c(CCC(=O)OCC(=O)N[C@@H](C)c2ccccc2)nc2ccccc21 2663769 QITZUOOHKHVCNX-SFHVURJKSA-N 435.524 3.550 0 40 IHAB Cn1cc(Br)c(C(=O)Nc2ccc(Br)cc2Br)n1 2763460 TUGRMCABOSGBRC-UHFFFAOYSA-N 437.917 3.960 0 40 IHAB COC[C@@H](C)n1c(SCC(=O)Nc2ccccc2C(C)=O)nc2ccccc2c1=O 3402856 YYKFWTBTTOHXKE-CQSZACIVSA-N 425.510 3.537 0 40 IHAB CCOCCCNC(=S)N(Cc1cccnc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O 6089644 JLQRZMHDNAFCRG-UHFFFAOYSA-N 438.597 3.843 0 40 IHAB Cc1ccc2cc([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CCCCC3)c(=O)[nH]c2c1 6409908 ZEOHTJOXWBTQDP-QFIPXVFZSA-N 432.503 3.586 0 40 IHAB Cc1ccc(C)c(NC(=O)C(=O)NCCc2csc3nc(-c4ccccc4C)nn23)c1 8609388 IGZYIXUUELZFTN-UHFFFAOYSA-N 433.537 3.680 0 40 IHAB COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC)cc1 8685529 WSZIQTVENBULME-UHFFFAOYSA-N 430.457 3.896 0 40 IHAB COc1cccc(-c2nnc(SCC(=O)Nc3nc4ccc(F)cc4s3)n2C)c1 8943207 FREIFJCWGXPYHM-UHFFFAOYSA-N 429.502 3.970 0 40 IHAB CN1C(=O)N(C)C(=O)C(CNc2ccc(F)cc2)(Cc2ccc(Cl)cc2Cl)C1=O 9053790 KBDCJGORCRUNCT-UHFFFAOYSA-N 438.286 3.824 0 40 IHAB Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)Nc1ccc(C(F)(F)F)cc1 9225986 SOUFOADMIJYARY-UHFFFAOYSA-N 442.459 3.816 0 40 IHAB COc1cn(-c2ccccc2)nc1C(=O)OCC(=O)Nc1ccc(OC(F)(F)F)cc1 9244659 IYCQRRJQNJUBJM-UHFFFAOYSA-N 435.358 3.575 0 40 IHAB COCCNC(=O)CNc1nc(CSc2ccccc2)nc2sc3c(c12)CCC3 9336977 JIRRFZGMEQJPAM-UHFFFAOYSA-N 428.583 3.647 0 40 IHAB Cc1c(C(=O)OCc2nc(-c3cccc(Cl)c3)no2)sc2nc3n(c(=O)c12)CCC3 9465114 VYWQUMMAHMSRDD-UHFFFAOYSA-N 442.884 3.773 0 40 IHAB COc1ccc(-n2nnnc2SCC(=O)N(C)[C@H](C)c2nc3ccccc3s2)cc1 9513429 NZPFAJOTKNEQSM-CYBMUJFWSA-N 440.554 3.592 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3c(C)cc(C)cc3C)C2)cc1C 9974201 WDTOLHCEBIVBFC-LJQANCHMSA-N 430.570 3.968 0 40 IHAB Cc1ccc(C(=O)NCC(=O)OCC(=O)c2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1 10041874 WGQHSKIKZRLGJJ-UHFFFAOYSA-N 445.471 3.679 0 40 IHAB CN(C)S(=O)(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)CC1 10324385 MIZFVHPUKFFBTA-UHFFFAOYSA-N 437.949 3.589 0 40 IHAB C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)CNC(=O)c1sc2ccccc2c1Cl 11498297 XDIKRBALKWNFBN-GZBFAFLISA-N 436.961 3.911 0 40 IHAB CCOc1cc(S(=O)(=O)Nc2ccccc2C(=O)O)c(OCC)cc1Br 11613992 QOMQAORJANDTFD-UHFFFAOYSA-N 444.303 3.746 0 40 IHAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(-c3cccs3)cc(C(=O)NC3CCCC3)c12 11696204 AEQWERVTOOSHCD-HNNXBMFYSA-N 444.582 3.500 0 40 IHAB CCOc1ccc(NC(=O)N2CCN(c3ccc(Nc4cc(C)ccn4)nn3)CC2)cc1 11696944 YOQDYPCOTIUYEX-UHFFFAOYSA-N 433.516 3.676 0 40 IHAB CC1(C)Cc2nc(-c3ccncc3)ncc2[C@H](NC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)C1 12221121 ZYKTWSOOBXUKIB-XMSQKQJNSA-N 447.583 3.850 0 40 IHAB COc1cccc(N(CC(=O)N2CCc3ccccc32)CC(=O)N2CCc3ccccc32)c1 12539106 KJMUKCSFZREDPA-UHFFFAOYSA-N 441.531 3.680 0 40 IHAB Cc1cc(=O)c(C(=O)N(C)CCOc2ccccc2)nn1-c1cccc(C(F)(F)F)c1 12763714 BNIRIVOAFDWSPT-UHFFFAOYSA-N 431.414 3.711 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)COc2ccc(Cl)cc2C)cc1 12787227 KLMZCQHLGCPSNR-MRXNPFEDSA-N 438.977 3.935 0 40 IHAB O=C(CCN1C(=O)COc2ccccc21)Nc1ccnn1Cc1c(Cl)cccc1Cl 13011844 RQGDHPNYCZTRJG-UHFFFAOYSA-N 445.306 3.992 0 40 IHAB CCCCn1c(N)c(N(CCC)C(=O)C2c3ccccc3Oc3ccccc32)c(=O)[nH]c1=O 13096338 AXAILDAVNSUHGC-UHFFFAOYSA-N 448.523 3.600 0 40 IHAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CN1CCC[C@H](C(=O)OCC)C1 13134462 VDWODXCHPVASFK-KRWDZBQOSA-N 444.553 3.805 0 40 IHAB CCc1ccc(NC(=O)Cn2c(=O)n(CCc3ccccc3)c(=O)c3sccc32)cc1 13533457 ZBVSLOQLMVQVJW-UHFFFAOYSA-N 433.533 3.669 0 40 IHAB COc1ccc(-c2cc3ccc(OCC(=O)NCc4ccccn4)cc3oc2=O)cc1OC 13730686 ICYGTNWLTDKDHR-UHFFFAOYSA-N 446.459 3.567 0 40 IHAB O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1Cc1cc(Cl)c2c(c1)OCCCO2 14141194 WCSPYUHOGLXBDO-SFHVURJKSA-N 425.872 3.646 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cccc(Cl)c1Cl 15310345 QAUPQMKUAHWFOX-UHFFFAOYSA-N 429.325 3.575 0 40 IHAB Cc1ccc2oc(C(=O)N(Cc3ccccc3Cl)[C@@H]3CCS(=O)(=O)C3)cc(=O)c2c1 15831138 YNGMKMHCGSJCLY-MRXNPFEDSA-N 445.924 3.584 0 40 IHAB CCOC(=O)[C@H]1CCCN(C(=O)CCc2csc3nc(-c4ccc(OC)cc4)cn23)C1 16848789 FWFLOSFUAGPGCZ-KRWDZBQOSA-N 441.553 3.806 0 40 IHAB CCC(=O)N1CCN(c2ccc(NC(=O)c3c(OC)cccc3OC)cc2Cl)CC1 17097730 AGHBLPMQJFNKKZ-UHFFFAOYSA-N 431.920 3.668 0 40 IHAB Cc1ccc(NC(=O)CN(C)[C@@H](C)c2ccc(-n3cncn3)cc2)c(Br)c1 17305845 BXEDEPVVCNXHBZ-HNNXBMFYSA-N 428.334 3.970 0 40 IHAB O=C(CC1CCCCC1)N1CCc2nc([C@@H]3CCCN3C(=O)C3CCCC3)nc(O)c2C1 19014756 DKIBCHPTIQDQNO-NRFANRHFSA-N 440.588 3.891 0 40 IHAB CC(C)NC(=O)[C@]1(Cc2ccccc2-c2ccccc2F)CCN(C(=O)c2cc[nH]n2)C1 19449366 PHFYPQQEIIAUSQ-VWLOTQADSA-N 434.515 3.815 0 40 IHAB COc1ccccc1CC(=O)N1CCC[C@](Cc2ccc(-c3cccnc3)cc2)(C(N)=O)C1 19569529 YUELNUVVEHLMTG-HHHXNRCGSA-N 443.547 3.637 0 40 IHAB Cc1ncsc1C(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(CCc1ccccc1)C(=O)C2 19739879 HLWODYURJLGZHQ-IBGZPJMESA-N 447.564 3.659 0 40 IHAB COc1ccc(S[C@H](C)C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1OC 20107341 GJTJOULNTAEYRJ-CVEARBPZSA-N 444.553 3.732 0 40 IHAB COc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc4c(c3)OCCO4)c2)cc1 20571034 BBIYNFPXZBUHNG-UHFFFAOYSA-N 440.477 3.520 0 40 IHAB CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)COc2ccc(OC)cc2)CC1 21578300 UBAUQMWWISXREJ-UHFFFAOYSA-N 445.947 3.815 0 40 IHAB COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)COc2cc(C)c(Cl)c(C)c2)c1 21595575 WUMOCNMIJINWJV-UHFFFAOYSA-N 445.947 3.513 0 40 IHAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 23605891 BDUUMRIFGFNQKW-UHFFFAOYSA-N 433.489 3.695 0 40 IHAB CS(=O)(=O)c1ccccc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 23679944 LNLANWFOHLZQMN-UHFFFAOYSA-N 434.561 3.638 0 40 IHAB C[C@@H](Nc1cccc(-c2nnc3n2CCCCC3)c1)C(=O)NCc1ccc2c(c1)OCO2 24971549 ZIQNBYZDXUEAFO-MRXNPFEDSA-N 433.512 3.517 0 40 IHAB O=C(NC[C@@H](c1cccs1)N1CCCC1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 25384363 OYWGSKNWCALNBB-NEQMZLFVSA-N 437.609 3.953 0 40 IHAB COc1ccc(C(=O)[C@H]2[C@@H](c3ccc(C(C)C)cc3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 25581091 BHFXHZDHXBBNKM-OPYAIIAOSA-N 436.430 3.923 0 40 IHAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccc(N3CCCS3(=O)=O)cc2)cs1 32842272 SVMXSUPQFTUAKB-UHFFFAOYSA-N 439.562 3.861 0 40 IHAB O=C(c1cccc(I)c1)N1CCCN(Cc2ccc(F)cc2)CC1 32863813 RTSVGLXQWIUOAR-UHFFFAOYSA-N 438.284 3.778 0 40 IHAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccco3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 34746995 CBPYFULXORWQAF-CNSVBDKNSA-N 436.533 3.515 0 40 IHAB Cc1c(NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)c(=O)n(-c2ccccc2)n1C 38850133 LWAXTEGMRDHXLD-IBGZPJMESA-N 438.959 3.989 0 40 IHAB CN1CC(Oc2ccccc2)=NC(SCC(=O)Nc2ccc(Br)cc2)=N1 57401743 RCNCXLHTBXILOG-UHFFFAOYSA-N 433.331 3.815 0 40 IHAB CC(C)(C(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1)n1cc(Br)cn1 58171279 AKJDYBLIPGJCPW-UHFFFAOYSA-N 440.363 3.736 0 40 IHAB O=C(CN1CCN(c2ccccc2O)CC1)N1CCC(c2nc3ccccc3s2)CC1 58172417 MTEWGFBJGMGODZ-UHFFFAOYSA-N 436.581 3.530 0 40 IHAB CCN(CC)c1ccc(NC(=O)NC[C@H](O)COc2cccc(C(F)(F)F)c2)cn1 65567333 DQXHNHNUDIPRFW-INIZCTEOSA-N 426.439 3.508 0 40 IHAB O=C(NCC1CCN(S(=O)(=O)c2cccnc2)CC1)Nc1ccc(Cl)c(Cl)c1 70933779 AMLGLFZINYVWGR-UHFFFAOYSA-N 443.356 3.611 0 40 IHAB COc1ccc2c(c1)N[C@]1(COC3(CCN(C(=O)c4cscn4)CC3)C1)c1cccn1-2 72327315 OSZJMEUWHHVTDW-HSZRJFAPSA-N 436.537 3.659 0 40 IHAB Cc1nn([C@@H](C)CC(=O)N2CCNC(=O)[C@H]2Cc2cccc(-c3ccccc3)c2)c(C)c1C 72351791 GGVQWOPNAZTIOC-AVRWGWEMSA-N 444.579 3.996 0 40 IHAB Cc1nccn1CCC(=O)N1CC[C@@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 72371534 OOPLJKGIFLZECB-QGZVFWFLSA-N 427.936 3.596 0 40 IHAB CCn1cc(S(=O)(=O)N2CCC[C@@H](c3cc(Nc4ccccn4)cc(C)n3)C2)c(C)n1 72375002 DCRUACBOHFSRNX-GOSISDBHSA-N 440.573 3.622 0 40 IHAB CCOc1cc(C)ccc1OCC(=O)N1CCC[C@H](c2cc(C(F)F)n3ncnc3n2)C1 72395359 LVMUFOSXBHNTJI-HNNXBMFYSA-N 445.470 3.554 0 40 IHAB COc1ccc([C@@H](CNS(=O)(=O)CC[C@@H]2CCCO2)c2c[nH]c3ccccc23)cc1 79095530 TZWZGMIKTFWGJW-PZJWPPBQSA-N 428.554 3.797 0 40 IHAB CCN(CC)[C@H](CNC(=O)CSc1nc2ccccc2n1CCOC)c1ccco1 84771096 CBBQLGSIPUJUPX-LJQANCHMSA-N 430.574 3.567 0 40 IHAB O=C(N1CCC(NS(=O)(=O)c2cccs2)CC1)C1(c2ccccc2F)CCCC1 89813382 DIMKSTXPVLQGES-UHFFFAOYSA-N 436.574 3.669 0 40 IHAB O=C1CN(C(=O)CCC(=O)N2Cc3ccccc3-c3ccccc3C2)c2ccccc2N1 89857670 GHOWCMCGUCHABL-UHFFFAOYSA-N 425.488 3.961 0 40 IHAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N2CC[C@H](N(C)Cc3noc(C4CC4)n3)C2)c1 95457978 SFDOVMSGUQQGEW-HKUYNNGSSA-N 426.561 3.879 0 40 IHAB O=C(C1=NN(c2ccccc2)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12)c1ccccc1 100486754 NXTDRLQETVSXKY-CTNGQTDRSA-N 429.863 3.957 0 40 IHAB CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@@H]2[C@@H]2C=Cc3ccc4cccnc4c3N21 103460882 NSYYOCZKQDTUGG-OOSNJVJTSA-N 431.536 3.834 0 40 IHAB O=C(Cn1ccc2ccc(Br)cc21)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 216692740 QPBBRBIRYSGUNS-GOSISDBHSA-N 440.297 3.697 0 40 IHAB Cc1ccccc1OC[C@H](C)NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 220007645 RYVPCIHSUTYOBX-IBGZPJMESA-N 430.570 3.757 0 40 IHAB CC[C@@H](C(=O)N[C@H](C)c1ccc(F)cc1)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 220752730 SWKLBJYSAKSCHX-ACJLOTCBSA-N 442.940 3.910 0 40 IHAB COC(=O)c1ccccc1NC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(C)cc2)c1 222541163 XZDNJMIKFUZQOI-UHFFFAOYSA-N 438.505 3.859 0 40 IHAB O=C(NCC1=CCCCC1)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 224232658 QCJKSLXDYUFYQF-NRFANRHFSA-N 446.956 3.913 0 40 IHAB CN(c1cccc(C(=O)Nc2ccccc2C(N)=O)c1)S(=O)(=O)c1ccc(Cl)cc1 224274334 ZAXLFUDVSRBZNW-UHFFFAOYSA-N 443.912 3.516 0 40 IHAB CCCSc1nnc(NC(=O)[C@H](CC)N(c2ccc(Cl)cc2)S(C)(=O)=O)s1 224288030 GLAHMLLEYAMYJZ-ZDUSSCGKSA-N 449.023 3.877 0 40 IHAB CCN(c1ccc(C(=O)NCc2ccc(CN3CCCCC3)cc2)cc1)S(=O)(=O)CC 224533430 YTZODVKIEDMYQP-UHFFFAOYSA-N 443.613 3.779 0 40 IHAB COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 224647038 BONJCBHINVXBFX-ZIAGYGMSSA-N 444.475 3.746 0 40 IHAB CCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)COc1cc(OC)cc(OC)c1 224802776 XIXALCLXETXQCT-INIZCTEOSA-N 448.947 3.680 0 40 IHAB COc1ccc(-c2nc([C@H]3CC[C@H](CNC(=O)C[C@H]4C=CCC4)CC3)[nH]c2C(N)=O)cc1 257227314 FORZQBLIHYPUEM-LNLFQRSKSA-N 436.556 3.931 0 40 IHAB CNC(=O)c1cccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)c2ccsc2)c1 257282492 OTYHMSNIFGAHHG-GOSISDBHSA-N 429.542 3.542 0 40 IHAB CO[C@H]1CC[C@H](C(=O)N[C@@H](Cc2cc(O)nc(-c3ccccn3)n2)c2ccccc2)CC1 257305417 SPXOIWLETYQIFN-VCOUNFBDSA-N 432.524 3.849 0 40 IHAB CCc1nccn1-c1cccc([C@@H]2CCCN2C(=O)COCc2nc3ccccc3n2C)n1 257305740 SRHJYJLIXTVSHE-NRFANRHFSA-N 444.539 3.597 0 40 IHAB CC(=O)N1[C@@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cccc(O)n1 257344178 ZWBIKJRFGKXQQZ-FMLGWJCWSA-N 433.552 3.793 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](C)c3ccc(F)cc3)C2)cc1C 260575690 JLKULNPEHQPYBX-IEBWSBKVSA-N 448.560 3.811 0 40 IHAB Cc1cccc(CN2Cc3c(nc(C)n3CC3CC3)C3(CCN(c4ncccn4)CC3)C2)n1 306137379 QUWQAMDKOXCKSB-UHFFFAOYSA-N 443.599 3.649 0 40 IHAB O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)Nc1ccc(F)cc1 408557461 NRJBLQUQGKTXAI-UHFFFAOYSA-N 426.469 3.595 0 40 IHAB COc1ccc(S(=O)(=O)N[C@@H](C)CCc2ccccc2)cc1I 408616233 FFNSYMZAHYMUNE-ZDUSSCGKSA-N 445.322 3.599 0 40 IHAB Cc1ccc(N2C[C@@H](C(=O)Oc3ccc(N4C(=O)[C@H]5CCCC[C@H]5C4=O)cc3)CC2=O)cc1 408638635 CVLAHZYLUAOREN-BULFRSBZSA-N 446.503 3.633 0 40 IHAB CCc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC[C@H](C)C[C@H]4C3=O)c2)cc1 408662197 NHRSOLVBLQVZRY-KNXBSLHKSA-N 448.519 3.970 0 40 IHAB C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3cccs3)C(=O)c3ccccc3Cl)C(=O)[C@H]12 408665812 ZLONBLCUXHQWBO-ZXYWRSMDSA-N 442.924 3.839 0 40 IHAB CN(C)CCn1ccc2ccc(NC(=O)CNC(=O)Cc3cccc4ccccc34)cc21 607051601 PDTRACAUYQRSLQ-UHFFFAOYSA-N 428.536 3.654 0 40 IHAB O=C(CN1CCN(C(=O)c2ccsc2)CC1)Nc1cc(C(F)(F)F)ccc1Cl 613496940 RMCZIJDNYBGREA-UHFFFAOYSA-N 431.867 3.817 0 40 IHAB Cc1nn(C)c(C)c1CN1CCC2(CCCCc3ccccc3OCCN(C)C2=O)CC1 643561859 CJVXWXJLWLWDKR-UHFFFAOYSA-N 438.616 3.883 0 40 IHAB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N[C@@]1(C(=O)O)CCc2ccccc21 675990419 IHRFWURKGHMRKF-GJZUVCINSA-N 428.488 3.590 0 40 IHAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)c2ccc(Cn3cc(Br)cn3)s2)C1 1540934936 OVYFGBZZALAPFH-HUUCEWRRSA-N 439.423 3.853 0 40 IHAB CC1(C)Oc2ccc(C(=O)N3CCCC3)cc2N(CC(=O)Nc2ccc(Cl)cc2)C1=O 1355310 DZCTXNYLTBPNLL-UHFFFAOYSA-N 441.915 3.719 0 40 IHAB C[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(I)cc1 2657060 WMXPPXIZIIYECV-JTQLQIEISA-N 428.657 3.702 0 40 IHAB CCOc1ccc(-n2c(SCC(=O)NC3CCCCC3)nc3c(c2=O)SCC3)cc1 2719889 YALKTXQWQYCGLT-UHFFFAOYSA-N 445.610 3.820 0 40 IHAB CCOc1ccc(COc2ccc(N3C(=O)[C@@H]4[C@H]5CC[C@H](O5)[C@@H]4C3=O)cc2)cc1OCC 2731639 RTAQEHIFPNSBIV-RVNSJZFSSA-N 437.492 3.730 0 40 IHAB CC(C)[C@@H](C)NC(=O)COC(=O)c1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)cc1 3533244 KUEKFZVLODGTNK-MRXNPFEDSA-N 444.487 3.958 0 40 IHAB CCCOc1cccc(C(=O)NC(=S)Nc2ccc(N3CCN(CC)CC3)cc2)c1 6517400 QKSIIHLQEWILAT-UHFFFAOYSA-N 426.586 3.744 0 40 IHAB COc1cccc(C(=O)N(Cc2ccc3c(c2)OCO3)Cc2nc3ccccc3c(=O)[nH]2)c1 8582801 PRJJGFWUIYMQOA-UHFFFAOYSA-N 443.459 3.503 0 40 IHAB CCc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 8723368 BREWIGUILFLOSG-CQSZACIVSA-N 431.539 3.912 0 40 IHAB CC[C@@H](C)[C@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1)C(=O)OC 8877876 JPUZZTXJISQPDB-UZFJHSOTSA-N 440.540 3.949 0 40 IHAB biogenic O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 8992720 FKBQPWYWUKOMRT-OAQYLSRUSA-N 438.553 3.715 0 40 IHAB COc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2C[C@H]2CCCO2)cc1OC 9124002 TWGPXKOWBGAJHP-IQMFZBJNSA-N 435.480 3.524 0 40 IHAB CCOc1ccc(Oc2ccc(NC(=O)c3cc(S(N)(=O)=O)ccc3OC)cc2)cc1 9283077 FHETXJHNUMBIPB-UHFFFAOYSA-N 442.493 3.786 0 40 IHAB CCc1nnsc1C(=O)Nc1sc2c(c1C(=O)NCc1cccnc1)CCCC2 9304150 WGYOVERFZPXPRH-UHFFFAOYSA-N 427.555 3.618 0 40 IHAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)CSc1nnc(NC2CCCCC2)s1 9633234 WSKLDVJJCYYOHF-CQSZACIVSA-N 446.598 3.896 0 40 IHAB Oc1c([C@@H](c2cccs2)N2CCC3(CC2)OCCO3)sc2nc(-c3ccco3)nn12 9808574 KBUYRJOQSMAVKU-OAHLLOKOSA-N 444.538 3.746 0 40 IHAB O=C(COc1cccc(C(=O)NCc2ccccc2)c1)Nc1ccc2c(c1)OCCCO2 9816499 TXPXXYBXBGNHBP-UHFFFAOYSA-N 432.476 3.795 0 40 IHAB O=C(CCc1nnc2n(Cc3ccc(F)cc3)c(=O)c3ccccc3n12)NC1CCCCC1 9831298 POSWJURPLQKWSH-UHFFFAOYSA-N 447.514 3.613 0 40 IHAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 9882150 OPKDPYBHFFMAPD-SFHVURJKSA-N 446.500 3.659 0 40 IHAB CCOC(=O)c1oc2ccccc2c1NC(=O)c1ccc(S(=O)(=O)N(C)C2CC2)cc1 10099523 CWNYIKZWAIRWTD-UHFFFAOYSA-N 442.493 3.645 0 40 IHAB Cc1ccc(-n2ncc3c(=O)n(NC(=O)Cc4ccc(-c5ccccc5)cc4)cnc32)cc1 10251649 WVBXTPULITVUTC-UHFFFAOYSA-N 435.487 3.870 0 40 IHAB COC(=O)c1cccc(NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)c1 10295504 VZGPTHQBSFJZCG-UHFFFAOYSA-N 438.505 3.616 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)OCc2csc(-c3ccccn3)n2)c1 11203131 XHJGAMZNQNFMIW-UHFFFAOYSA-N 445.566 3.901 0 40 IHAB Cc1nn(-c2ccccc2)c2sc(C(=O)NCc3cccc(NS(C)(=O)=O)c3)cc12 11360058 RPRGAULXKHSYRD-UHFFFAOYSA-N 440.550 3.697 0 40 IHAB CCOc1ccc(N2C[C@@H](NC(=O)Nc3ccc(Br)cc3F)CC2=O)cc1 12180208 OSSMQXZWIWSJJH-ZDUSSCGKSA-N 436.281 3.914 0 40 IHAB O=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1ccnn1Cc1cccc(Cl)c1 12537145 OIWJASPJVOUYCM-UHFFFAOYSA-N 444.366 3.999 0 40 IHAB COc1ccc(-n2cnn(CN3CCN(c4ccc(C(C)=O)cc4F)CC3)c2=S)cc1 12564549 LLJYTXHCUWVFHG-UHFFFAOYSA-N 441.532 3.533 0 40 IHAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)Cn2nnc(-c3ccccc3)n2)cc1 12621117 SCCPSNZAQKQTEK-HSZRJFAPSA-N 438.491 3.727 0 40 IHAB O=C(CN1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21)Nc1ccc(Cl)cc1F 12745420 ZUBCOPVCPKWXGU-HXUWFJFHSA-N 431.895 3.698 0 40 IHAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)/C=C/c2ccc(F)c(Cl)c2)CC1 12752249 KMJRWUHFFWSCSN-VQHVLOKHSA-N 429.923 3.892 0 40 IHAB CN(CC(=O)Nc1ccccc1Cl)CC(=O)Nc1cc2c(cc1Cl)OCCCO2 12782386 OVTVKDFVRAKIBI-UHFFFAOYSA-N 438.311 3.664 0 40 IHAB O=C(c1ccc(-c2ccccc2Cl)o1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 12987064 KRDMGUZHMBCXMF-UHFFFAOYSA-N 448.903 3.886 0 40 IHAB CCc1cccc(N2C[C@@H](C(=O)N(C)CC(=O)Nc3ccccc3C(F)(F)F)CC2=O)c1 13018009 KDMHNRAYLIJMII-INIZCTEOSA-N 447.457 3.718 0 40 IHAB O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)Nc1nc2ccc(F)cc2s1 13117099 YNPCZEZCZUFNER-UHFFFAOYSA-N 430.442 3.945 0 40 IHAB O=C(COc1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 13510983 CXDZGSPIWCBYEJ-QGZVFWFLSA-N 428.337 3.588 0 40 IHAB C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)Nc2cccc(C(F)(F)F)c2)C1=O 14157938 DNFNMHVMACPGLF-NRFANRHFSA-N 431.414 3.600 0 40 IHAB O=C(NCc1ccccc1CN1CCCCC1)C1CCN(C(=O)c2ccc(F)cc2)CC1 14183900 MPCSSAKMZGHJRK-UHFFFAOYSA-N 437.559 3.980 0 40 IHAB C[C@@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)N1CCN(C(=O)c2cccs2)CC1 14244254 FXDUGTSPQYDLFG-SFHVURJKSA-N 447.560 3.764 0 40 IHAB COc1ccc(/C=C/C(=O)Nc2c(F)cccc2F)cc1S(=O)(=O)N1CCCCC1 15011149 ZNQLDWRSKIOSIT-PKNBQFBNSA-N 436.480 3.800 0 40 IHAB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NCCc1ccc(Cl)cc1 15396904 QDKXHJWPJOCQHW-UHFFFAOYSA-N 428.941 3.894 0 40 IHAB COc1cc2c(cc1OC)CN(CCS(=O)(=O)c1cc(Cl)ccc1Cl)CC2 16554015 YSAYNBVAGLQFSJ-UHFFFAOYSA-N 430.353 3.843 0 40 IHAB COc1ccc(OC)c([C@H](C)NS(=O)(=O)c2cc(Br)ccc2OC)c1 17333427 FMVBLIVUDGUPNO-NSHDSACASA-N 430.320 3.514 0 40 IHAB O=C1[C@@H]2[C@@H](C(=O)N1c1cccc(C(F)(F)F)c1)N1CCCN1[C@@H]2c1ccc(Cl)cc1 19171285 YOZPXADXKLIWKS-KSZLIROESA-N 435.833 3.894 0 40 IHAB Cc1ccc(CC(=O)N2CCC[C@H]2c2nn(C)cc2-c2ccnc(N3CCCC3)n2)cc1 19209529 PVUQZUXVAJVDCM-QFIPXVFZSA-N 430.556 3.692 0 40 IHAB Cc1ccc(O[C@H](C)C(=O)N2CCC[C@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)cc1 19210843 DMTNJLHVLGLDHR-MXSMSXNCSA-N 437.466 3.580 0 40 IHAB Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N3CCc4ccccc4C3)cc2c1 19220764 UZTPYCDVGUESIK-JOCHJYFZSA-N 428.540 3.726 0 40 IHAB CCc1ncc(CN2CC[C@@](Cc3ccc(-c4ccccc4OC)cc3)(C(N)=O)C2)cn1 19523316 UGXSXTIOGCWBND-SANMLTNESA-N 430.552 3.635 0 40 IHAB CNC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2ccc(OC)c(OC)c2)C1 19591680 BNDJLRIOOHGYGE-HHHXNRCGSA-N 445.563 3.947 0 40 IHAB Cc1nc([C@@H]2CCCN2C(=O)Cc2ccccn2)nc2c1CCC(=O)N2Cc1ccccc1 19696199 AZFZHDPEJBSTLT-QFIPXVFZSA-N 441.535 3.566 0 40 IHAB Cc1cnc(-c2nc(CN(C)C3CCCCC3)ncc2C(=O)NCc2ccccc2)cn1 19696897 SZNFGMRHTVLMHQ-UHFFFAOYSA-N 430.556 3.937 0 40 IHAB CCn1ccc(C(=O)N2CCC(c3nc(C)c4c(n3)N(Cc3ccccc3)CCC4)CC2)n1 19705684 QYCSROTZWRXLBY-UHFFFAOYSA-N 444.583 3.974 0 40 IHAB COc1ccc(CC(=O)N2CCC[C@H]2c2ncc(C(=O)Nc3ccccc3)c(C)n2)cc1 19755550 AIVPKZGXTCQZHF-QFIPXVFZSA-N 430.508 3.952 0 40 IHAB COc1ccccc1NC(=O)c1cnc([C@@H]2CCN(C(=O)Cc3ccc(F)cc3)C2)nc1C 19766112 QDAKNJSZKYTYFF-GOSISDBHSA-N 448.498 3.744 0 40 IHAB CCOC(=O)[C@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@@H]1c1cccnc1 19820511 WTGZKMNSGRRSFJ-DHIUTWEWSA-N 440.503 3.789 0 40 IHAB C[C@@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1)c1ccccc1 20007669 DNWHNNRMRSDFEN-VGSWGCGISA-N 426.513 3.593 0 40 IHAB CC[C@H](C(=O)NCc1ccc(OC(C)C)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 20110319 WEDVGCHIHWNZCE-JOCHJYFZSA-N 432.586 3.952 0 40 IHAB CCn1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c(=O)c2cc(OC)ccc21 22235920 XTYUSTBXDPXJCN-UHFFFAOYSA-N 425.916 3.646 0 40 IHAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1-n1cccc1 22240058 XDVYIBUZVQBQLK-UHFFFAOYSA-N 433.493 3.629 0 40 IHAB COc1cccc(NC(=O)[C@H](NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)c2ccccc2)c1 22735043 YKDJXAVLKTUHBD-SFYKDHMMSA-N 425.573 3.852 0 40 IHAB COc1ccc(F)cc1S(=O)(=O)NC[C@@H](c1ccco1)N1CCc2ccccc2C1 22907247 OAEILHDWAOMALA-IBGZPJMESA-N 430.501 3.505 0 40 IHAB COc1ccc(CN2CCN([C@@H](C)c3nnc(-c4ccc(F)cc4)o3)CC2)cc1OC 22925466 HDNDPLZESNLWHH-INIZCTEOSA-N 426.492 3.772 0 40 IHAB Cc1ccc(OC(F)F)c(C(=O)COC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)c1 22987828 MYXNBPHBWVFGHS-UHFFFAOYSA-N 444.434 3.739 0 40 IHAB O=C(OCCCOc1ccc(F)cc1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 23550907 DVPDHVNZSVNJFI-UHFFFAOYSA-N 433.457 3.523 0 40 IHAB COc1cc(OC)c(NC(=O)c2ccccc2S(=O)(=O)N2CCCCC2)cc1Cl 23656070 HFTCLSFRXDWRES-UHFFFAOYSA-N 438.933 3.784 0 40 IHAB CC(C)Cn1c(CCC(N)=O)nnc1S[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl 24991101 MVIYALLBFBMMIO-LLVKDONJSA-N 444.388 3.778 0 40 IHAB CCOc1ccc(-c2n[nH]c(=S)n2CCC(=O)Nc2cccc(C(=O)N(C)C)c2)cc1 25326417 SBHREZGMBNJGJN-UHFFFAOYSA-N 439.541 3.737 0 40 IHAB CCSc1nnc(NC(=O)CSc2nnnn2-c2cccc3ccccc23)s1 26455723 OHOTXOXFTXJBEE-UHFFFAOYSA-N 429.556 3.510 0 40 IHAB C[C@H](CCc1ccccc1)NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1 30943939 ZEMSJMNFFRLGPJ-VGSWGCGISA-N 444.597 3.649 0 40 IHAB CC(=O)c1cc2c(cc1NC(=O)COc1cc3nc(-c4ccccc4)cc(C)n3n1)OCO2 32810259 QMNWSRHJQUPMMF-UHFFFAOYSA-N 444.447 3.654 0 40 IHAB CC(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCCO3)cc1 32854662 WWVYUKBAGMUTBI-UHFFFAOYSA-N 431.448 3.921 0 40 IHAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 44899721 IDDDOEDWBCYLMC-AWEZNQCLSA-N 431.901 3.942 0 40 IHAB COc1ccc(C(=O)NC(=S)Nc2cc(NC(=O)c3ccco3)ccc2C)cc1OC 59294026 SKYLBYANZCEISV-UHFFFAOYSA-N 439.493 3.984 0 40 IHAB Cn1cc(C(=O)N2CCC[C@@H](c3cncc(-c4cccc(C(F)(F)F)c4)n3)C2)ccc1=O 72359785 JCIQESQGOOJBRL-MRXNPFEDSA-N 442.441 3.881 0 40 IHAB CN(Cc1nc2ccccc2s1)C(=O)c1cc(S(C)(=O)=O)ccc1Br 83867813 GCDIKJVTMBULKO-UHFFFAOYSA-N 439.356 3.735 0 40 IHAB CCOC(=O)c1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccco4)[C@@H]3C2=O)cc1 95545570 RMZWPBIXXJEQBB-ACRUOGEOSA-N 432.432 3.507 0 40 IHAB O=C(CCOc1cccc(F)c1)NC[C@H]1CC[C@H](c2nnc(-c3cnccn3)o2)CC1 100156126 VQIOVHREADOLGV-IYBDPMFKSA-N 425.464 3.525 0 40 IHAB CCCC(=O)N1CCCC[C@H]1c1cc2nc3c(c(O)n2n1)CN(Cc1cccs1)CC3 100233802 JZSXEHXUSYCMBN-FQEVSTJZSA-N 439.585 3.908 0 40 IHAB Cc1cc(CN2CCC[C@@H]2c2cc3nc4c(c(O)n3n2)CCN(C(=O)C(C)C)C4)cs1 100234391 BNCAQMWHHITDMN-HXUWFJFHSA-N 439.585 3.683 0 40 IHAB C[C@H](OC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)C(=O)c1ccccc1 100638068 VDRFPLUIQRTPGT-SIHHETGVSA-N 441.483 3.672 0 40 IHAB CC(=O)C1=NN(c2cccc(Cl)c2C)[C@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]12 101406776 YBRGBAURKIDORR-IEBWSBKVSA-N 430.291 3.933 0 40 IHAB CCCCCn1c(=O)c(C(=O)Nc2c(O)c3ccccc3[nH]c2=O)c(O)c2ccccc21 101441906 WIHOBHBNMHZUMO-UHFFFAOYSA-N 433.464 3.697 0 40 IHAB O=S(=O)(c1ccc2c(c1)CCO2)N1CCS[C@H]1c1ccc(F)c(Br)c1 217644980 GGSCQONQQXIZHO-KRWDZBQOSA-N 444.347 3.959 0 40 IHAB COc1ccc(OC)c(N(CC(=O)NCC2CCCCC2)S(=O)(=O)c2ccccc2)c1 223494601 VJSKGPFBJMYCHX-UHFFFAOYSA-N 446.569 3.596 0 40 IHAB O=S(=O)(Cc1ccc(Br)cc1)NCc1nc(-c2ccccc2Cl)no1 223652829 DDUSSBLBWYCEJJ-UHFFFAOYSA-N 442.722 3.772 0 40 IHAB CSc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)s1 224307424 KDEPYYIPKBEYNU-UHFFFAOYSA-N 447.007 3.730 0 40 IHAB CC(=O)Nc1cccc(NC(=O)c2ccc(CN(C)S(=O)(=O)c3ccccc3)cc2)c1 224415572 CJRMAHUBZJHFEH-UHFFFAOYSA-N 437.521 3.718 0 40 IHAB CCOC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224960887 CXJGFYOPBXTNFR-UHFFFAOYSA-N 448.324 3.769 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(Oc3ccccc3)cc2)cc1F 225100456 QOKNYRIEANKGHH-UHFFFAOYSA-N 431.441 3.907 0 40 IHAB COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)CCC2=O)cc1 408642121 DMXOKRCUDAYPPG-LBPRGKRZSA-N 449.290 3.780 0 40 IHAB COc1ccc(NC(=O)COC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)c2ccccc2)c(OC)c1 408649462 DNJZGZDHTVIURG-DODAUVCRSA-N 437.492 3.731 0 40 IHAB CC(=O)Nc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Cl)cc2)cc1 408664749 JXMPMDXAQIGULX-UHFFFAOYSA-N 431.876 3.589 0 40 IHAB COc1ccc(NC(=O)CCc2ccc(S(=O)(=O)NC3CCCCC3)cc2)c(OC)c1 409239694 DEPUPHNTKGLOJL-UHFFFAOYSA-N 446.569 3.886 0 40 IHAB Cc1c(Cl)c(O)c(C/C=C(\CO)[C@H](O)C[C@]2(C)[C@@H](C)CCC(=O)[C@@H]2C)c(O)c1C=O 514287891 HDMBFAOOJCPAHR-QIFYJLCOSA-N 438.948 3.726 0 40 IHAB biogenic,in-vitro CC(C)Sc1ccc(CC(=O)N2CC[C@H](Oc3ncc(Br)cn3)C2)cc1 585147148 ODLKIUDOXHOEOE-INIZCTEOSA-N 436.375 3.962 0 40 IHAB CC(C)Cn1nc(C(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)c2ccccc2c1=O 620489230 HQXOEYCMZJBMNY-MRXNPFEDSA-N 440.494 3.587 0 40 IHAB O=S(=O)(Cc1cccc(Cl)c1)N1[C@H]2CC[C@H]1CC(n1cc(Br)cn1)C2 1888890598 FKKIQQMBVPYDTP-HOTGVXAUSA-N 444.782 3.997 0 40 IHAB O=C1[C@@H]2[C@H](C(=O)N1c1ccc(Cl)cc1)[C@H](c1ccc(Br)cc1)N1CCCN21 1294319 GFGPRNILPLHTFB-SQNIBIBYSA-N 446.732 3.638 0 40 IHAB COC(=O)c1c(NC(=O)CSc2nnc(COc3ccccc3)n2C)sc(C)c1C 1332319 TVKZIXIWXHWSSP-UHFFFAOYSA-N 446.554 3.590 0 40 IHAB Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccccc1C(=O)OCC(=O)NC1CC1 2642948 DZBFRGZAYJHQPS-UHFFFAOYSA-N 444.553 3.529 0 40 IHAB O=S(=O)(c1ccc(Br)cc1)N1CCN=C1SCc1cccc(F)c1 2711419 CRYLNEHMVLUTIW-UHFFFAOYSA-N 429.336 3.882 0 40 IHAB COc1ccc(C(C)=O)cc1COC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 3468831 PXXQDXGAHMSFEZ-UHFFFAOYSA-N 428.444 3.954 0 40 IHAB CCOc1ccc(NC(=S)N(CCCO)Cc2cc3ccc(OC)cc3[nH]c2=O)cc1 6089928 CLMRIJFWTGQMBN-UHFFFAOYSA-N 441.553 3.517 0 40 IHAB Cc1ccc2cc(CN(Cc3ccco3)S(=O)(=O)c3ccc(F)cc3)c(=O)[nH]c2c1 6409742 XACSAFYLONVKNR-UHFFFAOYSA-N 426.469 3.960 0 40 IHAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CNC(=O)C3CCCCC3)cc2)cc1C 8710304 OZMXMDBLEWBMPO-UHFFFAOYSA-N 443.569 3.739 0 40 IHAB Cc1ccc(Nc2nc(COC(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)cs2)cc1 8826342 IWZNVBMMRKZASV-UHFFFAOYSA-N 437.930 3.853 0 40 IHAB Cc1ccc2c(c1)C[C@]1(CN2C)C(=O)N(c2ccc(Br)cc2)C(=O)N=C1O 9245103 FGWNMWIAKGLFFK-HXUWFJFHSA-N 428.286 3.860 0 40 IHAB COc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)c1ccc(-n2cccn2)cc1 9416092 CBVQBHHWUQDOMA-UHFFFAOYSA-N 430.464 3.755 0 40 IHAB COC(=O)c1cc(Nc2ncnc3c2cnn3-c2ccc(C)cc2C)cc(C(=O)OC)c1 9475181 WEHDBKSIMGZNAY-UHFFFAOYSA-N 431.452 3.749 0 40 IHAB O=C(CCCn1c(=O)c2ccccc2n(Cc2cccc(Cl)c2)c1=O)NC1CCCC1 9616940 KEOLJSISWRIVJZ-UHFFFAOYSA-N 439.943 3.704 0 40 IHAB CN(C)CCn1cc(C(=O)c2cc(Cl)ccc2O)cc1-c1nc2ccccc2c(=O)[nH]1 9645022 MQUVCNMAONPUBP-UHFFFAOYSA-N 436.899 3.543 0 40 IHAB CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)[C@H](c1ccccc1)[C@@H](C)CC)n2CC 9646787 DAZYUSFIGDMXDO-LPHOPBHVSA-N 440.544 3.579 0 40 IHAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O 9730306 LBYQPXQEXRNGHA-OWJWWREXSA-N 448.548 3.599 0 40 IHAB Cc1ccc(Nc2nc(N)nc(CSc3nnc(-c4cccnc4)n3C3CC3)n2)cc1 9835664 PMQJYNVZIBBSJG-UHFFFAOYSA-N 431.529 3.787 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3C(F)(F)F)C2)cc1 9974473 VRWLTZHSCZCBNW-CQSZACIVSA-N 442.459 3.753 0 40 IHAB O=C(CSc1nnc(-c2ccccc2)n1Cc1ccco1)NC(=O)NCc1ccccc1 10022448 NKTIJUHRUQDUDX-UHFFFAOYSA-N 447.520 3.705 0 40 IHAB O=C1Cc2cc(C(=O)CSC3=NN/C(=C4\C=Nc5ccccc54)N3C3CC3)ccc2N1 10026839 QHXKHWCTWIKFBS-XLNRJJMWSA-N 429.505 3.520 0 40 IHAB CC(=O)N1CCc2c(sc(NC(=O)CCCSc3ccc(C)cc3)c2C(N)=O)C1 10217901 CLCAQDKFZQWXQQ-UHFFFAOYSA-N 431.583 3.571 0 40 IHAB CSc1cccc(NC(=O)Cn2c(=O)cc(C(=O)N3CCCCC3)c3ccccc32)c1 12371914 CMMYILNENRIANN-UHFFFAOYSA-N 435.549 3.988 0 40 IHAB biogenic,in-vitro O=C(Nc1cccc(Br)c1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 12466563 QAHHGEKQLFMICW-GFCCVEGCSA-N 449.779 3.956 0 40 IHAB Cc1ccc(-n2c(-c3ccccc3)nn(CN(C)[C@H]3CCS(=O)(=O)C3)c2=S)cc1C 12588532 FUBSIMYTBDEBSI-FQEVSTJZSA-N 442.610 3.764 0 40 IHAB Cn1c(C[C@@H](NC(=O)c2ccc(S(C)(=O)=O)cc2)c2ccccc2)nc2ccccc21 12628736 WKHCVOXDUSIYNQ-OAQYLSRUSA-N 433.533 3.691 0 40 IHAB Cc1ccc(-c2cc(C(=O)N3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)[nH]n2)cc1 12775690 IMZXCCHHLWZAEM-UHFFFAOYSA-N 432.480 3.605 0 40 IHAB CNS(=O)(=O)c1cc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc(C)c1C 12855808 OGAZKUMGVDOOJQ-INIZCTEOSA-N 443.594 3.841 0 40 IHAB C[C@H]1CCc2sc(-c3nnc(SCC(=O)Nc4ccc5[nH]c(=O)[nH]c5c4)o3)cc2C1 13016053 ZFZKFBRWMRIQMG-JTQLQIEISA-N 441.538 3.823 0 40 IHAB O=C(COC(=O)C1C[C@@H]2CCC[C@H](C1)C21SCCS1)NC(=O)NCc1ccccc1 13027384 PEEKTLORNQPJPT-AYHJJNSGSA-N 448.610 3.558 0 40 IHAB COc1ccc(CN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)C2CC2)cc1 13127000 FYPWQWPDYCRFKA-UHFFFAOYSA-N 428.554 3.675 0 40 IHAB COc1ccc(Cn2nnnc2[C@H](CC(C)C)N2CCN(c3ccccc3F)CC2)cc1 13504907 AFAQCDNAIDSTNK-QHCPKHFHSA-N 438.551 3.779 0 40 IHAB Cc1ccc(C(C)C)c(OCC(=O)Nc2nnc(S(=O)(=O)Cc3ccccc3)s2)c1 13552270 FZVVRMSGANLRLY-UHFFFAOYSA-N 445.566 3.961 0 40 IHAB C[C@@H](SC(=S)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)C(=O)Nc1ccccc1Cl 13572508 ZAXUJUWHEXELPG-KFWWJZLASA-N 448.013 3.966 0 40 IHAB CC[C@@H](C(=O)Nc1ccccc1C(=O)N[C@H](C)CC)N(c1ccc(C)cc1)S(C)(=O)=O 13686142 XKRKPSSTHZXSJC-UTKZUKDTSA-N 445.585 3.707 0 40 IHAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NCCSCc1ccc(Cl)cc1Cl 13688796 FQTSVVVHPISWGD-IYBDPMFKSA-N 441.380 3.684 0 40 IHAB C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2nc(NS(C)(=O)=O)sc2c1 13723590 HFJPMFDDMOTMSJ-LBPRGKRZSA-N 428.539 3.510 0 40 IHAB COc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 14006483 OCXIUGZIXVWTGI-MRXNPFEDSA-N 426.494 3.902 0 40 IHAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)OCC(=O)N1CCc2sccc2C1 14317234 GVTGAXVPEZDYJJ-UHFFFAOYSA-N 448.548 3.622 0 40 IHAB Cc1ccc(S(=O)(=O)CCC(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1 16047931 PIPFEVSMJAIJPU-UHFFFAOYSA-N 430.507 3.650 0 40 IHAB COc1cc(CNCCc2ccc(S(N)(=O)=O)cc2)ccc1OCc1ccccc1C 16362786 GIYXYSCISXQETF-UHFFFAOYSA-N 440.565 3.562 0 40 IHAB Cc1ccc(OCC(=O)N(Cc2ccc(C(C)(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 16742186 SPSVKPQPODPZOD-NRFANRHFSA-N 429.582 3.887 0 40 IHAB O=C(CCn1c(=O)oc2cc(Cl)ccc21)Nc1ccccc1C(=O)NC1CCCC1 19204571 RRMIQQNIXCFBKG-UHFFFAOYSA-N 427.888 3.949 0 40 IHAB Cc1ccc(CC(=O)N2CCO[C@](Cc3cccc(-c4ccccc4)c3)(C(N)=O)C2)cc1 19209813 IOQYOYZQQVCVJM-MHZLTWQESA-N 428.532 3.530 0 40 IHAB O=C(c1ccc(F)cc1)N1CCc2nc([C@@H]3CCCN3Cc3ccsc3)[nH]c(=O)c2C1 19332106 NMSWXIDZKDWMID-FQEVSTJZSA-N 438.528 3.506 0 40 IHAB CCN(C(=O)[C@H](C)N1CC2(CCOCC2)Oc2ccc(C)cc2C1=O)C1CCCCC1 19526134 RHYDDOTXHHCLEA-IBGZPJMESA-N 428.573 3.949 0 40 IHAB CC1CCN(C(=O)CN2CCC([C@H]3CC=CCN(CCc4ccccc4)C3=O)CC2)CC1 19698372 VMHBBGYAAJHHEI-RUZDIDTESA-N 437.628 3.604 0 40 IHAB CCOC(=O)[C@@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@H]1c1sccc1C 19818567 CYCFMHGXUBTEHK-ZWKOTPCHSA-N 427.526 3.558 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccc2c(c1)OCCO2 20061658 MNUDAWNHWMQEQF-UHFFFAOYSA-N 430.526 3.583 0 40 IHAB COc1cc(OC)c(NC(=O)COc2cc(C)nc(N3CCCCCC3)n2)cc1Cl 21360861 IWQZUQXLVDAUHL-UHFFFAOYSA-N 434.924 3.854 0 40 IHAB O=C(c1ccc2c(c1)OCO2)N1CCN(Cc2nc(-c3ccc(F)cc3)cs2)CC1 21687347 ADDZORZADWNECP-UHFFFAOYSA-N 425.485 3.636 0 40 IHAB Cc1ccc2sc(N(Cc3ccccc3)C(=O)CN3CCC(C(N)=O)CC3)nc2c1C 23699822 RNDYOVNAAKFUSW-UHFFFAOYSA-N 436.581 3.644 0 40 IHAB O[C@H](COc1cccc2ccccc12)Cn1nnc(-c2ccccc2Br)n1 24831624 DZUHQCODRATGHZ-HNNXBMFYSA-N 425.286 3.696 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(C)c4ncccc34)C2)s1 24832592 GGCVFWHTGCELAR-INIZCTEOSA-N 429.567 3.953 0 40 IHAB Cc1ccc(CCC(=O)N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)cc1Cl 24969189 AJOVFPRCJOMZHJ-UHFFFAOYSA-N 427.976 3.981 0 40 IHAB C[C@@](Cc1nc2ccccc2s1)(C(=O)N1CCN(C(=O)C2CC2)CC1)c1ccccc1 25590660 QWDMBXKDQYMAFN-VWLOTQADSA-N 433.577 3.878 0 40 IHAB O=C(CSCc1nc2ccccc2s1)Nc1cccc(S(=O)(=O)NC2CC2)c1 26061496 LTRUAJTVJWGQMJ-UHFFFAOYSA-N 433.580 3.609 0 40 IHAB O=C(c1ccc(COc2cccc(Cl)c2Cl)o1)N1CCN(c2ncccn2)CC1 28227323 ASLUXCZQDWVUKE-UHFFFAOYSA-N 433.295 3.918 0 40 IHAB COc1ccc(-c2nc(NC(=O)CN(c3ccccc3C)S(C)(=O)=O)sc2C)cc1 29168983 ZMNLWLOWIIIUOA-UHFFFAOYSA-N 445.566 3.840 0 40 IHAB COc1ccc(OCCN(C)C(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)cc1 32523389 QBRHFYXWGRSYKI-UHFFFAOYSA-N 443.503 3.604 0 40 IHAB CC(C)c1ccc(-c2noc(CN3CCN(CC(=O)Nc4cccc(F)c4)CC3)n2)cc1 32759469 GVRYLPDXUNYVBV-UHFFFAOYSA-N 437.519 3.755 0 40 IHAB COc1ccc(C)cc1NC(=O)[C@H](C)Sc1nc(O)c2cnn(-c3ccccc3)c2n1 32774462 TVUXMSXQCVXLNX-AWEZNQCLSA-N 435.509 3.957 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCc1ccccc1)Cc1ccccc1 34719171 YGAWUYFFXYRJJB-UHFFFAOYSA-N 438.549 3.511 0 40 IHAB Cc1ccc(OCc2nc(C(=O)N3CCN(C(=O)c4cccs4)CC3)cs2)cc1 36397391 YFWBZAUSWWNRGC-UHFFFAOYSA-N 427.551 3.690 0 40 IHAB CS(=O)(=O)N1C[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)Oc2ccc(Cl)cc21 38835051 PWDFRLNHNPXRAL-HNNXBMFYSA-N 435.716 3.813 0 40 IHAB CCN(CC(=O)Nc1cc(Cl)ccc1Cl)S(=O)(=O)c1cc(C)ccc1OC 39985509 SVBDLMASKXUEAN-UHFFFAOYSA-N 431.341 3.960 0 40 IHAB O=C(NCc1cccnc1OC1CCCC1)C1(S(=O)(=O)c2ccccc2)CCCC1 40090845 XCEHKKKZDUNBHR-UHFFFAOYSA-N 428.554 3.806 0 40 IHAB O=C(c1ccccc1C(F)(F)F)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCO3)CC1 42382473 MHLPWUCOKUFLRA-SJORKVTESA-N 446.425 3.522 0 40 IHAB COc1ccc(C(=O)OCc2c(C)noc2C)cc1S(=O)(=O)Nc1ccc(C)cc1 45660234 UGNKWAWHUCTOEX-UHFFFAOYSA-N 430.482 3.766 0 40 IHAB Cc1cc(-c2cc(C(=O)N[C@H](C(=O)N(C)C)c3ccccc3)c3c(C)noc3n2)c(C)o1 48274409 GHTASVCKMARHGV-NRFANRHFSA-N 432.480 3.967 0 40 IHAB Cc1cccc(NC(=O)COc2coc(CN3CCN(c4ccccc4)CC3)cc2=O)c1C 56949806 XEALFWMWWCOKBQ-UHFFFAOYSA-N 447.535 3.596 0 40 IHAB Cc1cccc(Nc2nnc(SCC(=O)Nc3nnc([C@H]4CCCO4)o3)s2)c1C 58305022 NUDRWWMOTBSLBY-CYBMUJFWSA-N 432.531 3.864 0 40 IHAB CCC[C@H](C)NC(=O)[C@@H]1CCCN(Cc2cc3c(cc2Br)OCCO3)C1 58312344 WCDUNZXTKJKEQM-LSDHHAIUSA-N 425.367 3.737 0 40 IHAB CCOc1ccc2nc(NC(=O)[C@H]3CCCN(c4ccc(-n5cccn5)nn4)C3)sc2c1 62022819 IJFCYMDLRNCXKC-HNNXBMFYSA-N 449.540 3.526 0 40 IHAB Cc1cc(C)cc(NC(=O)C(=O)N[C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)c1 62130475 CKOHJOULSBOFLJ-IBGZPJMESA-N 447.457 3.741 0 40 IHAB CC(=O)c1ccc(NC(=O)Cn2nc(N3CCC(Cc4ccccc4)CC3)ccc2=O)cc1 71284607 HCVYUTNISDHQTG-UHFFFAOYSA-N 444.535 3.544 0 40 IHAB COc1ccc(CN2CCN(c3c(F)cccc3[C@H](O)c3nccn3C)CC2)c(C)c1C 72340607 BBLQGJULSYFOLZ-DEOSSOPVSA-N 438.547 3.589 0 40 IHAB CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCN1C(=O)COc1ccccc1OC 72370371 HYIQXJDPBZDIJB-INIZCTEOSA-N 438.549 3.882 0 40 IHAB CNC(=O)[C@]1(Cc2cccc(-c3cccc(C)c3)c2)CCCN(C(=O)c2cnc(C)cn2)C1 72391503 MBVUHKOJXBKAFK-MHZLTWQESA-N 442.563 3.972 0 40 IHAB CCNC(=O)[C@]1(Cc2cc(-c3ccc(C)cc3)no2)CCCN(C(=O)c2ccccn2)C1 72396010 LDXYSWRWZYLJBU-VWLOTQADSA-N 432.524 3.646 0 40 IHAB CS[C@@H]1CCC[C@H](NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2O)C1 78814754 ZUOSSOYNHKRFCR-GXTWGEPZSA-N 426.585 3.659 0 40 IHAB COCCN(CCOC)c1ccc(C)cc1C(=O)N1C[C@H](c2ccccc2)O[C@H](C)C1 78822338 UJLIRIJNXPWUOV-HYBUGGRVSA-N 426.557 3.696 0 40 IHAB Fc1ccc(OCc2noc(CN3CCN(c4nc5ccccc5s4)CC3)n2)cc1 84603645 MBNPWJUBVATBGO-UHFFFAOYSA-N 425.489 3.720 0 40 IHAB COc1cccc2[nH]cc([C@H](CC(=O)N[C@@H]3CCS(=O)(=O)C3)c3ccc(Cl)cc3)c12 95479860 POHHEPQUUUQVCE-IAGOWNOFSA-N 446.956 3.655 0 40 IHAB COc1ccc(NC2CN(C(c3ccccc3)c3ccccc3)C2)cc1NS(C)(=O)=O 96013610 YDGQYCNTEAQYOO-UHFFFAOYSA-N 437.565 3.952 0 40 IHAB O=C1[C@H]2[C@@H]([C@@H]3CO[C@@H]1O3)[C@H](C(=O)C13CC4CC(CC(C4)C1)C3)N1c3ccccc3C=C[C@H]21 100249578 XXTVWAHGGFLWMY-YICMOLRYSA-N 431.532 3.613 0 40 IHAB biogenic,in-vitro COC(=O)c1ccccc1C(=O)CC(=O)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 101653715 KEUJGHITMRHWRE-UHFFFAOYSA-N 441.439 3.939 0 40 IHAB COc1ccccc1N(CC(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2)S(=O)(=O)c1cccs1 104749590 UUURIPZPYCUJEO-OWSLCNJRSA-N 448.610 3.893 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 108914450 BDPRFUKBHXABTC-DOADOZAASA-N 434.602 3.814 0 40 IHAB CC[C@H](Oc1ccccc1Cl)C(=O)NCc1nc(-c2ccc(OC)cc2OC)no1 219322497 NTKFHVDDQSMENK-INIZCTEOSA-N 431.876 3.881 0 40 IHAB CCN(c1ccc(C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1)S(=O)(=O)CC 222398671 MRSXVZPVTHNSED-UHFFFAOYSA-N 426.922 3.786 0 40 IHAB CN(C)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Cl)cn1 223240126 OJIUYWXRKHTAHU-NHCUHLMSSA-N 441.004 3.845 0 40 IHAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223251698 IFLMNFLJAIGOAS-AOMKIAJQSA-N 430.570 3.606 0 40 IHAB Cc1ccc(OCCNC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1Cl 224129447 QVZCPIALBICBQT-UHFFFAOYSA-N 438.977 3.733 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCCc1ccc(F)cc1)c1cccc2ccccc12 224682749 ARQLWIZVTXAGTQ-UHFFFAOYSA-N 428.529 3.884 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)N[C@H](C)c1ccc(C)cc1 225692477 HFAIOYYSPPCIRF-LJQANCHMSA-N 444.597 3.988 0 40 IHAB CC(C)CNC(=S)Nc1nc(Sc2ncccn2)cc(N2Cc3ccccc3C2)n1 225892509 QASXTSZTOFOFHH-UHFFFAOYSA-N 437.598 3.880 0 40 IHAB COc1cccc(N(C)C(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1 226027109 WJIOWWPXQGJHFV-UHFFFAOYSA-N 442.512 3.688 0 40 IHAB COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)Nc1cccc(-c2csc(C)n2)c1 226057494 BBXLMSXKONQMQI-UHFFFAOYSA-N 449.529 3.525 0 40 IHAB CCCC[C@@H](NC(=O)COc1ccc([C@H]2Cc3ccccc3C(=O)O2)cc1C)C(=O)O 256028219 YZXRBTSWMKCPFA-TZIWHRDSSA-N 425.481 3.588 0 40 IHAB C[C@]1(CCC(=O)O)Oc2ccccc2[C@@H]2OC[C@]3(CCCN(C(=O)CCCCN)C3)C[C@H]21 257210928 BWTBWTRHNULOJH-HEGQMBHGSA-N 444.572 3.518 0 40 IHAB COc1ccc2c(c1)[C@H]1OCC3(CCN(C(=O)c4cn(C)nc4C)CC3)C[C@@H]1C(C)(C)O2 257212473 CDOICBVYZPWFAV-RBBKRZOGSA-N 439.556 3.908 0 40 IHAB CNC(=O)[C@]1(c2ccccn2)CCCN(C(=O)c2cccc(Nc3nc(C)cs3)c2)C1 257232131 GJNZGEGOUJUGIJ-HSZRJFAPSA-N 435.553 3.510 0 40 IHAB O=C(NCc1ccc(F)cc1F)c1nc(-c2ccnn2-c2ccccc2)n2ccncc12 306127752 GGIGODSTLVRJAU-UHFFFAOYSA-N 430.418 3.790 0 40 IHAB COc1ccc(CN2C[C@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccsc2)C3=O)cc1 306134050 NCOCXCUXDLXISR-NOZRDPDXSA-N 449.576 3.549 0 40 IHAB CCCS(=O)(=O)N1CCC2(CC1)Oc1ccccc1-c1nc(C(C)C)n(CCOC)c12 306138611 SBZZLFFOOZRGQI-UHFFFAOYSA-N 447.601 3.743 0 40 IHAB COc1ccc(Cl)cc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2c(C)cccc2C)C1 408672354 VYBYUVOOIWTHEC-HNNXBMFYSA-N 430.888 3.500 0 40 IHAB CC(C)NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl 409019958 LCELIRBBFCSYHC-UHFFFAOYSA-N 429.369 3.751 0 40 IHAB CC(C)OC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2N)c1 409174655 WQADVYJDWPRJOX-UHFFFAOYSA-N 445.932 3.608 0 40 IHAB CN1CCN(C(=S)c2ccc(OCC(=O)Nc3ccccc3Cl)c(Cl)c2)CC1 409236147 RLWLLJZEZFRCOT-UHFFFAOYSA-N 438.380 3.934 0 40 IHAB Cc1c(C(=O)N2CCn3cc(CC(=O)NCc4ccco4)nc3[C@H]2C)oc2ccccc12 585097312 IJBWUZDCUYLDFW-MRXNPFEDSA-N 432.480 3.607 0 40 IHAB COc1ccc(OCC(=O)N2CCC[C@@]3(C[C@@H](Oc4cccc(Cl)c4)CO3)C2)cc1 1848353327 JFZBMYQRIRITHL-FYYLOGMGSA-N 431.916 3.957 0 40 IHAB COc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(Cl)cc3Cl)CC2=O)cc1 800513 BANQIOZFOSVLPN-LBPRGKRZSA-N 437.279 3.537 0 40 IHAB O=C(NCCc1ccccc1)c1ccc(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1 1420927 PVJQQRXPJUYXFU-UHFFFAOYSA-N 448.500 3.566 0 40 IHAB O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 1516633 JXLHZCPWQGFCCC-UHFFFAOYSA-N 428.539 3.632 0 40 IHAB CC[C@@H](C)[C@H](NC(=O)Cc1c(C)c2cc3c4c(oc3cc2oc1=O)CCCC4)C(=O)O 2104075 PNBQAVJEMKILAJ-IPQOISQHSA-N 425.481 3.884 0 40 IHAB biogenic COc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(C3CCCC3)CC(=O)N21 2117263 UVPHCLCNFXTFMC-SQJMNOBHSA-N 429.520 3.804 0 40 IHAB biogenic CCOC(=O)C1=C(C)OC(N)=C(S(=O)(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 2513403 CARDOQVWTWTWCO-SFHVURJKSA-N 433.913 3.893 0 40 IHAB COc1ccc(C)cc1NC(=O)[C@H](Sc1nnc(-c2cccnc2)n1N)c1ccccc1 2629853 ZAZHRZWLAVQTGA-HXUWFJFHSA-N 446.536 3.843 0 40 IHAB C[C@@H](Sc1nnc(Cc2ccccc2F)n1N)C(=O)Nc1cccc(C(F)(F)F)c1 2643068 ZRBUXZRRKIICJK-LLVKDONJSA-N 439.438 3.860 0 40 IHAB CN(C)[C@H](CNC(=O)CSc1nnc(-c2ccccc2F)n1C1CC1)c1ccccc1 2655963 BESIFJHYILWMDG-HXUWFJFHSA-N 439.560 3.930 0 40 IHAB O=C(CSc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12)Nc1cccc(F)c1 3259619 IGUQAWWPKMIWNU-UHFFFAOYSA-N 445.479 3.903 0 40 IHAB O=C(CN(Cc1ccccc1)S(=O)(=O)/C=C/c1ccccc1)NCc1ccc(F)cc1 3426909 AQODTVMUULEKMS-FOCLMDBBSA-N 438.524 3.945 0 40 IHAB CC(C)n1c(S[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)nc2ccccc2c1=O 3522522 FYPFPEYZOLDBTN-CQSZACIVSA-N 425.510 3.503 0 40 IHAB CCOc1ccccc1-n1c(SCC(=O)NCc2ccco2)nnc1-c1ccncc1 4093129 AGJQGLWPNMZRCX-UHFFFAOYSA-N 435.509 3.730 0 40 IHAB CCOc1ccc([C@H]2[C@@H](C(=O)OCC(C)C)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OCC(C)C)cc1 8913933 LQEIJWJNUWOURT-DEJKCJRPSA-N 448.556 3.524 0 40 IHAB O=C(c1ccccc1CSc1nc2ccccc2o1)N1CCN(c2ncccn2)CC1 9125913 JQZPTJQBKDOPMD-UHFFFAOYSA-N 431.521 3.873 0 40 IHAB CCOC(=O)C1=C(C)NC(=O)N(CC(=O)Nc2ccc(F)cc2F)[C@H]1c1ccccc1 9127587 NVSASCFNIQMLMM-FQEVSTJZSA-N 429.423 3.507 0 40 IHAB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccccc3)c(OC)c2)C1=O 9262274 GXXRSJYOLPODBK-ONDHQXCVSA-N 427.478 3.872 0 40 IHAB CCOc1ccc(N2C[C@H](C(=O)Nc3nnc(CCc4ccccc4)s3)CC2=O)cc1 9288768 XWWFOTPYDVHWFP-QGZVFWFLSA-N 436.537 3.714 0 40 IHAB CCc1ccc(-c2nnc(SCC(=O)N(C)CC(=O)Nc3ccccc3Cl)[nH]2)cc1 9477485 ZBPBTAWMYWEJED-UHFFFAOYSA-N 443.960 3.877 0 40 IHAB Cn1cc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c2nn(-c3ccccc3)c(=O)c-2c1 9661347 DGTBSAAAZQVCJR-UHFFFAOYSA-N 428.370 3.827 0 40 IHAB O=C(NC[C@@H](c1cccs1)N1CCc2ccccc21)C(=O)Nc1ccc(F)cc1F 9708300 VBCPTBIIAJOHJT-IBGZPJMESA-N 427.476 3.885 0 40 IHAB Cc1cc(C)nc(SCc2cc(=O)c(OC(=O)c3cc4ccccc4oc3=O)co2)n1 9829312 UIELSASKAYMXID-UHFFFAOYSA-N 436.445 3.665 0 40 IHAB Cc1c(C)n2c3c(=O)n(Cc4cccc(Cl)c4)c(=O)n(C)c3nc2n1C1CCCC1 10103066 PNGVJFSLUQHNCB-UHFFFAOYSA-N 425.920 3.583 0 40 IHAB O=C(COC(=O)c1sc2cc(F)ccc2c1Cl)NCCc1ccc2c(c1)OCCO2 11241569 WMNCZCXXRXROJR-UHFFFAOYSA-N 449.887 3.981 0 40 IHAB Cc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)COc2ccc(Cl)cc2)n1 11854422 DOQKYUFOHYSQRY-UHFFFAOYSA-N 441.900 3.663 0 40 IHAB COc1ccc(-c2ccc(=O)n(CC3CCN(C(=O)CCc4ccccc4)CC3)n2)cc1 12142674 YJLYYAGGZMPQJD-UHFFFAOYSA-N 431.536 3.790 0 40 IHAB CCCCN1C(=O)[C@@](NC(=O)CCC2CCCCC2)(C(F)(F)F)C(C(=O)OC)=C1C 12419960 NYNCGJRSZKKDLG-HXUWFJFHSA-N 432.483 3.854 0 40 IHAB COc1ccc(OC)c(NC(=O)CS[C@@H](C)c2nc(N)nc(Nc3ccccc3)n2)c1 12523479 YRCMQKGXMZHZHD-ZDUSSCGKSA-N 440.529 3.648 0 40 IHAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)N(C)Cc2ccc(Br)s2)c1 12736468 FJKAALBHQLQGEK-UHFFFAOYSA-N 441.303 3.748 0 40 IHAB Cc1cc(C)c(NC(=O)CN(C)CC(=O)Nc2cc(C)nn2-c2ccc(F)cc2)c(C)c1 12747127 UGYZERTVEQRUCK-UHFFFAOYSA-N 437.519 3.754 0 40 IHAB C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NCc1ccc(Cn2cncn2)cc1 12874714 MHDYZMGREJKBAO-CYBMUJFWSA-N 449.736 3.826 0 40 IHAB C[C@H](NC(=O)COc1c(I)cc(Cl)c2cccnc12)C1CC1 12900828 PWOGDRFLJLHYAB-VIFPVBQESA-N 430.673 3.786 0 40 IHAB Cc1ccc(N2C(=O)N(Cc3cc4c(cc3Br)OCCO4)C(=O)[C@@H]2C)cc1 13057593 HLCSBGINFQYGPK-ZDUSSCGKSA-N 431.286 3.886 0 40 IHAB CCOC(=O)C1=C(COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)NC(=O)N[C@H]1C 13057681 BQJJTAJGVKEDFX-QMMMGPOBSA-N 426.313 3.622 0 40 IHAB O=C1N[C@H](c2ccccc2C(F)(F)F)[C@H](C(=O)c2ccccc2)[C@](O)(C(F)(F)F)N1 13303344 MWETWNSKBPIWLJ-CPUCHLNUSA-N 432.320 3.809 0 40 IHAB CC(=O)c1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 13732918 MJHZDMPFYMPLDE-QHCPKHFHSA-N 426.476 3.851 0 40 IHAB COc1cc(/C=C/C(=O)N[C@H](Cc2ccccc2)c2ccccc2)ccc1OCC(N)=O 14110737 LWBMSFLEFISSII-UVEFMEQMSA-N 430.504 3.673 0 40 IHAB COc1cc(C)c(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1OC 14123438 MOZJIELDEKVFBA-UHFFFAOYSA-N 432.542 3.829 0 40 IHAB COc1ccc(Br)cc1S(=O)(=O)NCCOc1ccc2ccccc2c1 15362117 DXNXZOGSJQTFCL-UHFFFAOYSA-N 436.327 3.968 0 40 IHAB CC(C)CC(=O)Nc1ccccc1C(=O)OCc1cc(=O)n2nc(CC(C)C)sc2n1 15771844 NWTCUBSUDYCRLA-UHFFFAOYSA-N 442.541 3.691 0 40 IHAB Cc1cc2nc(COC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)cc(=O)n2o1 15772146 YDMHFIBBIZQERA-UHFFFAOYSA-N 437.839 3.859 0 40 IHAB COc1cc(OC)c(NC(=O)CCCNS(=O)(=O)c2cc(C)ccc2C)cc1Cl 15949008 STXHTPRERWJCMM-UHFFFAOYSA-N 440.949 3.671 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCc3ccc(F)cc3)cc2)cc1 15960311 FMGLPYXOSZLLSF-UHFFFAOYSA-N 426.513 3.932 0 40 IHAB COc1cc(CNCCc2ccc(S(N)(=O)=O)cc2)ccc1OCc1cccc(C)c1 16349343 LOTJDFWHHLROCG-UHFFFAOYSA-N 440.565 3.562 0 40 IHAB O=C(Cc1cccnc1)N1CCc2nc(-c3ccncc3)nc(Nc3ccccc3F)c2C1 19350077 GZFSIAUYZWRYRS-UHFFFAOYSA-N 440.482 3.944 0 40 IHAB C[C@@H]1Cc2cc(CN3CCC[C@@](Cc4ccccc4-c4cncnc4)(C(N)=O)C3)ccc2O1 19498189 SVTOYUQVPXKJDV-WINIVTDRSA-N 442.563 3.777 0 40 IHAB CCNC(=O)[C@@]1(Cc2ccccc2-c2cccc(C)c2)CCN(C(=O)c2cccnc2N)C1 19529068 UUPQUTZKNRVSQZ-HHHXNRCGSA-N 442.563 3.850 0 40 IHAB CCOc1ccc(O[C@H](C)C(=O)N2C[C@@H](c3cccc(F)c3)[C@@]3(CCCC(=O)N3)C2)cc1 19533600 GEJRZTBQKSDITB-VEDVITAVSA-N 440.515 3.657 0 40 IHAB CNC(=O)[C@@]1(Cc2cccc(-c3cccs3)c2)CCCN(C(=O)c2ccc(N)nc2)C1 19591180 CEFZCHBMQYBIPB-XMMPIXPASA-N 434.565 3.603 0 40 IHAB COc1ccc(S(=O)(=O)Oc2ccc(C3SCCS3)cc2)cc1NC(C)=O 19682768 SWKHHSXTMXPNFH-UHFFFAOYSA-N 425.553 3.900 0 40 IHAB Cc1cc(C)n(C)c(=O)c1C(=O)N1CCC[C@@H]1c1nc(N(C)C)ncc1-c1ccccc1 19689842 GPTPQCYFRWWNPA-HXUWFJFHSA-N 431.540 3.502 0 40 IHAB Cc1noc(CCC(=O)N2CCCC[C@H]2c2nc(N(C)C)ncc2-c2cccc(F)c2)n1 19694603 BAKRCAFGRJEJLD-IBGZPJMESA-N 438.507 3.727 0 40 IHAB COc1ccc(CN2CC[C@H](c3nc(N(C)C)ncc3-c3cncnc3)C2)cc1OC(C)C 19695053 YFZNPOPWEOKOCK-IBGZPJMESA-N 448.571 3.785 0 40 IHAB Cc1nc([C@@H]2CCCN(CCOc3ccc(F)cc3)C2)ncc1C(=O)N1CCCCC1 19763181 QSPYCYALQKJJKQ-LJQANCHMSA-N 426.536 3.809 0 40 IHAB COc1ccc([C@@H](C)NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 20015408 ZTLIDFLZKWYXTJ-CYBMUJFWSA-N 445.368 3.641 0 40 IHAB COc1ccc(OC)c2sc(N(CCN3CCOCC3)C(=O)c3ccc(C)cc3)nc12 20743817 CKQKXGPDQSQOAG-UHFFFAOYSA-N 441.553 3.601 0 40 IHAB Cc1noc(C)c1CSc1ccccc1C(=O)NCc1ccc(N2CCOCC2)nc1 21043721 WCJBFARVHINTKI-UHFFFAOYSA-N 438.553 3.745 0 40 IHAB C[C@@H]1CCc2c(sc3nc(CCC(=O)N4CCN(C5CCCCC5)CC4)[nH]c(=O)c23)C1 21882433 IQNBQQUZEGHTDK-MRXNPFEDSA-N 442.629 3.519 0 40 IHAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NCc2cnn(-c3ccccc3)c2)cc1 22197773 UULKPNIXRBDAAG-UHFFFAOYSA-N 435.487 3.810 0 40 IHAB C[C@H](Sc1nc(CN2CCOCC2)nc2ccccc12)C(=O)Nc1ccccc1F 22358797 QVMCDTQOGXQBLS-HNNXBMFYSA-N 426.517 3.720 0 40 IHAB C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CN1CCN(Cc3ccc(Cl)s3)CC1)C2=O 23257514 UXGDXHGLGMPBEO-YCRPNKLZSA-N 439.025 3.613 0 40 IHAB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 27242355 AADRAPCDFBEHLE-IERDGZPVSA-N 443.494 3.597 0 40 IHAB O=S1(=O)C[C@@H]2[C@H](C1)N=C(SCc1ccccc1Cl)N2c1ccc(F)cc1F 32640477 MMQVPQWVJQXAQN-DOTOQJQBSA-N 428.913 3.893 0 40 IHAB CCc1ccc2c(c1)c1nnc(SCC(=O)Nc3nnc(C(C)C)s3)nc1n2C 35312663 YBOOJYJEDXJECP-UHFFFAOYSA-N 427.559 3.785 0 40 IHAB O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1nn(Cc2ccc(Cl)cc2)cc1Br 36613037 YNNLIBKIVHOOEB-HMEQZMJYSA-N 432.705 3.659 0 40 IHAB Cc1ccccc1CN1CCC(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 39762734 ADNAINFWNDUUFD-UHFFFAOYSA-N 441.597 3.630 0 40 IHAB CC(C)(CNC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccc(Br)cc1 40113452 UICWOGJHVGLYIF-UHFFFAOYSA-N 428.330 3.712 0 40 IHAB COc1ccc(Cl)cc1N([C@H](C)C(=O)N[C@H]1CCCc2ccccc21)S(C)(=O)=O 44841336 LEPWFQOAQXJZPK-KDOFPFPSSA-N 436.961 3.697 0 40 IHAB COc1ccc2nc(NC(=O)CSCc3nc4sc(C)cc4c(=O)[nH]3)sc2c1 44900787 BDKJNDLZYXCHKW-UHFFFAOYSA-N 432.552 3.783 0 40 IHAB O=C(NC1CCN(C(=O)C2CCCCC2)CC1)[C@H](OCC(F)(F)F)c1ccccc1 48302544 RABRVWBYVFLKCB-LJQANCHMSA-N 426.479 3.994 0 40 IHAB O=C(Cc1csc(Nc2ccc(Cl)cn2)n1)NCc1nc(-c2ccccc2)no1 49452382 RQBZMNVBYVJWBN-UHFFFAOYSA-N 426.889 3.844 0 40 IHAB CC[C@@H](Sc1nnc2c(=O)n(-c3ccccc3)ccn12)C(=O)Nc1cc(F)ccc1F 64593504 UCTGKXYVKUQFTA-QGZVFWFLSA-N 441.463 3.668 0 40 IHAB CCCc1cc(N2CCC([C@H]3CCCCCN3C(=O)NC(C)C)CC2)n2ncnc2n1 69979672 UMMOZNBKJWYNQA-HXUWFJFHSA-N 427.597 3.656 0 40 IHAB COc1ccccc1[C@H](CNC(=O)[C@@H]1CCCN1C(=O)C1CCCCC1)N1CCCCC1 72272711 YWKJMAUFUWKFFU-GOTSBHOMSA-N 441.616 3.910 0 40 IHAB CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCCN1C(=O)CCc1nc(C)no1 72370706 UMCDBFJTCPXXOT-INIZCTEOSA-N 440.569 3.899 0 40 IHAB CCN(CC)c1cc(C2CCN(C(=O)c3ccc(OC)cc3)CC2)nc(-c2cnccn2)n1 72391333 SCIDNTZAQGDFTL-UHFFFAOYSA-N 446.555 3.808 0 40 IHAB CCCCCOc1ccc([C@@H](C)NC(=O)C(=O)Nc2c(C)nn(CC)c2C)cc1OC 89953473 HRULBYHZIKBLHD-OAHLLOKOSA-N 430.549 3.913 0 40 IHAB CCOc1ccccc1N(CC(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2)S(=O)(=O)c1ccc(C)cc1 100623066 XLOIMEALIHJEKD-SBHAEUEKSA-N 442.581 3.894 0 40 IHAB COC(=O)c1ccc([C@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1 100889319 XDXJZBUCGIEITE-VABKMULXSA-N 442.471 3.520 0 40 IHAB COc1ccc2c(c1)[C@H]1C[C@@](C)(NC(=O)[C@H]1S(=O)(=O)c1ccc(C(C)(C)C)cc1)O2 100894876 HXMNWPBJRRRFTN-RFWXGWTQSA-N 429.538 3.547 0 40 IHAB O=C1[C@H]2CC=CC[C@@H]2C(=O)N1c1nc2n(n1)[C@H](c1ccccc1)C[C@H](c1ccccc1)N2 102767087 LJUIHPXVUYBPKS-BURNTYAHSA-N 425.492 3.880 0 40 IHAB O=C(NCCOc1cccc2ccccc12)c1cccc(S(=O)(=O)N2CCCCC2)c1 108230836 AREWUSOZOGRYCS-UHFFFAOYSA-N 438.549 3.823 0 40 IHAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H](C)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 220198838 WKUSJNWULIJZHC-JKSUJKDBSA-N 442.503 3.997 0 40 IHAB CC[C@@H](C(=O)Nc1cccc(C(=O)OC)c1C)N(c1cc(C)ccc1C)S(C)(=O)=O 220542871 NOBICCCLTFRVEM-IBGZPJMESA-N 432.542 3.582 0 40 IHAB CC[C@H](C(=O)N(C)Cc1ccc(OC)cc1)N(c1cc(Cl)ccc1C)S(C)(=O)=O 220706855 LJYPISGHGFXFFE-LJQANCHMSA-N 438.977 3.860 0 40 IHAB C[C@H](C(=O)NC[C@@H]1CCCO1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 222843354 WONKIQQWSMEAKW-GCJKJVERSA-N 428.960 3.985 0 40 IHAB O=C(COc1cccc2c1CCCC2)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 223137285 HMPPMPSEXUNQNH-UHFFFAOYSA-N 428.554 3.758 0 40 IHAB COc1ccc(-c2noc(CNS(=O)(=O)Cc3ccc(Cl)cc3Cl)n2)cc1 223646014 TXMDVOWYJQQCLC-UHFFFAOYSA-N 428.297 3.672 0 40 IHAB C[C@@H](C(=O)Nc1ccc(Cc2ccncc2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 224006675 ZIKZWSPFKUAGDF-INIZCTEOSA-N 427.501 3.605 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)Cc3ccccc3F)cc2)cc1 224085359 WZEYPWRNAXUYEV-UHFFFAOYSA-N 428.485 3.907 0 40 IHAB COc1cccc(CCCNC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c1 224109883 PGZUUZKBWMGSFM-UHFFFAOYSA-N 438.549 3.883 0 40 IHAB O=C(NCC1=CCCCC1)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2cc(Cl)ccc2O1 224500801 BPTHWPIZQQYPBU-NRFANRHFSA-N 446.956 3.913 0 40 IHAB Cc1ccc(-c2nnc(NC(=O)CCCN(C)S(=O)(=O)c3ccccc3)s2)cc1 224709400 ZACDRIRDNJQUJV-UHFFFAOYSA-N 430.555 3.553 0 40 IHAB Cc1nc(N2CCN(C(=O)c3cc(Br)cs3)CC2)cc(C(F)(F)F)n1 225733242 SCKPYDMIPNOAFV-UHFFFAOYSA-N 435.269 3.590 0 40 IHAB CCOC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)cc1 225926239 XGOZRTIMLGZLQQ-UHFFFAOYSA-N 444.553 3.520 0 40 IHAB COc1cc(/C=C/C(N)=O)cc(I)c1OCc1cccc(F)c1 226335844 KRFKPFAJACSXFU-AATRIKPKSA-N 427.213 3.516 0 40 IHAB Cc1cc(Br)cc(Br)c1OCC(=O)n1nnc2ccccc21 226359719 HRYHGZYYIOLBMF-UHFFFAOYSA-N 425.080 3.984 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)NC[C@@](O)(c1ccsc1)c1cccs1 245187636 ZRNJOYWRZZVIOR-QGZVFWFLSA-N 429.972 3.686 0 40 IHAB CC(=O)c1ccc(NC(=O)CN2CCC([C@@]3(C)CN(Cc4ccccc4)C(=O)O3)CC2)cc1 257201586 AIFUNKGHZGGWLL-AREMUKBSSA-N 449.551 3.951 0 40 IHAB O=C(C1CCN(Cc2ccccn2)CC1)N1CCC[C@H]1c1nc(Cc2ccc(F)cc2)n[nH]1 257203280 APIAWKTYCVBETI-QFIPXVFZSA-N 448.546 3.505 0 40 IHAB Cc1cc(Cc2ccccc2C)cc([C@H]2CN(C(=O)c3cc(C)nc(N(C)C)n3)CCO2)n1 257203857 ARYJEOTZSPQQST-XMMPIXPASA-N 445.567 3.667 0 40 IHAB CCCCOc1ccc(NC(=O)CN2CC[C@](C)(O)[C@@H](Oc3cccc(F)c3)C2)cc1 257219097 DFOGKXWOGYDTBR-UPVQGACJSA-N 430.520 3.847 0 40 IHAB Cc1ccc2ncnc(NCCC(=O)N3CCC[C@H]3c3ccnc(-c4ccccn4)n3)c2c1 257259650 KZIFVQVNCZGFQK-QFIPXVFZSA-N 439.523 3.956 0 40 IHAB Cc1nc([C@H]2CCCN(C(=O)CCC3CCCC3)C2)nc(C)c1CC(=O)N1CCCC1 257284400 PCNUNKIPCGHUOV-NRFANRHFSA-N 426.605 3.935 0 40 IHAB Cc1nc([C@H]2CC[C@H](CNC(=O)CN3CCC(c4ccccc4)CC3)CC2)ccc1C(N)=O 257286345 PLFDODPJTLJYQW-JKIUYZKVSA-N 448.611 3.759 0 40 IHAB O=C(NCCn1nc([C@@H]2CCCN(Cc3cccc(F)c3F)C2)c2cccnc21)C1CC1 257325214 WRYUOUNQTBWKME-GOSISDBHSA-N 439.510 3.615 0 40 IHAB c1ccc(CN2CCC3(CC2)Oc2ccccc2-c2c3cnn2CCN2CCCC2)nc1 306135877 PDPNBKJCZHCFMC-UHFFFAOYSA-N 429.568 3.925 0 40 IHAB COc1cccc(CN2CCC3(CC2)CN(C)C[C@H](C(=O)Nc2cccc(Cl)c2)O3)c1 306139107 SPSVFGPMBVZJLI-JOCHJYFZSA-N 443.975 3.653 0 40 IHAB Cc1cccc(N2CCN(C(=O)[C@@H](C)N3c4cccc5cccc(c45)S3(=O)=O)CC2)c1C 408622100 ASOVUXIISIHCSG-LJQANCHMSA-N 449.576 3.703 0 40 IHAB Cc1ccc(N(CCCC(=O)NCCSCc2ccccc2C)S(C)(=O)=O)cc1 408695144 QQRCKRVWCRYVKT-UHFFFAOYSA-N 434.627 3.899 0 40 IHAB CCOc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1S(=O)(=O)N1CCCC1 408697262 IFTORHKHUPDFQP-SFHVURJKSA-N 430.570 3.621 0 40 IHAB CCc1ccc(-n2c(SCC3(CS(C)(=O)=O)CC3)nc3ccccc3c2=O)cc1 551315858 OHAIWUFVOGEYFU-UHFFFAOYSA-N 428.579 3.865 0 40 IHAB CCCN1CCN(C(=O)C2CCNCC2)C[C@H](Cc2ccc(-c3cccc(C)c3)cc2)C1=O 585172735 BDRLWKFOWUYVHF-SANMLTNESA-N 447.623 3.901 0 40 IHAB Cc1nc(/C=C/C(=O)N2CCC(c3nccnc3Nc3nc(C)c(C)s3)CC2)cs1 585291550 RVPNQOMIJDLDMN-SNAWJCMRSA-N 440.598 4.478 0 40 IHAB Cc1cc(C)n(CC(=O)NC[C@@]2(C)CC[C@@H](C)C[C@H](O)C[C@@H](c3ccccc3)C2)c(=O)n1 643587393 BONYSZYXVHQPAQ-PSRHSGHMSA-N 439.600 3.728 0 40 IHAB O=C1C[C@@H]2CCN(C(=O)N3CCOCC3)C[C@@H]2CCOc2ccc(-c3ccccc3)cc2N1 1534646120 CFGGQWNYHGEPRB-VXKWHMMOSA-N 449.551 3.855 0 40 IHAB CCOC(=O)C1CCN(C(=O)C2CCN(C(=O)c3cc(Cl)ccc3Cl)CC2)CC1 819572 NHQJNTUZGXIQOE-UHFFFAOYSA-N 441.355 3.647 0 40 IHAB CCc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)Nc3ccc(OC)cc3)cc2c1 880591 ZREWMJFWMRPEGB-UHFFFAOYSA-N 438.597 3.860 0 40 IHAB COc1ccc(NC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(C)cc2)cc1 921462 RGYQVFLEJPGKKC-HSZRJFAPSA-N 436.533 3.758 0 40 IHAB biogenic,in-vitro Cc1cc(O[C@H](C)C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c2c3c(c(=O)oc2c1)CCCC3 2111328 UWTGYNAKLDLHOU-UYPAYLBCSA-N 439.552 3.901 0 40 IHAB biogenic CCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12 2153197 LRKOUHQRTLNNGO-UZLBHIALSA-N 437.492 3.633 0 40 IHAB biogenic CCN(CC)S(=O)(=O)c1ccc(NC(=O)CCCOc2ccc(C(C)=O)cc2)cc1 2620611 SFMMFNGRCNDEBY-UHFFFAOYSA-N 432.542 3.717 0 40 IHAB O=c1/c(=C/c2cn(-c3ccccc3)nc2-c2cccs2)sc2nc(-c3ccco3)nn12 2703376 YCFSWGWNQQQHFP-PDGQHHTCSA-N 443.513 3.873 0 40 IHAB Cc1cccc(-c2cc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)c3ccccc3n2)c1 2764114 DKRGZKSMURVYJU-UHFFFAOYSA-N 431.517 3.788 0 40 IHAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C)[C@@H](c2cccs2)N2CCCC2)c1 3211578 WXCOWWSQUYQFTG-UTKZUKDTSA-N 449.642 3.734 0 40 IHAB COc1ccccc1NC(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1 3256404 JDELYQYXOXVPNT-UHFFFAOYSA-N 432.523 3.599 0 40 IHAB O=c1cc(CSc2nnc(-c3cccs3)n2C[C@H]2CCCO2)nc2sccn12 3405720 DTDZAKRHYPWHSK-CYBMUJFWSA-N 431.568 3.547 0 40 IHAB CCCCN1C(=O)c2ccc(C(=O)Nc3ccccc3C(=O)N3CCCCC3)cc2C1=O 3563834 NHAXAAPPVRSUOW-UHFFFAOYSA-N 433.508 3.961 0 40 IHAB CC(C)NC(=O)N1C[C@@H]2C[C@H](C1)c1c(-c3ccc(OC(F)(F)F)cc3)ccc(=O)n1C2 4237451 LSULCLVQXODJKL-GOEBONIOSA-N 435.446 3.951 0 40 IHAB biogenic,in-vitro O=C(N/N=C/c1ccc2c(c1)OCO2)/C(=C\c1ccccc1)NC(=O)c1ccccc1Cl 8386042 JVEYMDXYIPXIKA-NWZXOKCJSA-N 447.878 3.990 0 40 IHAB COc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)sc2c1 8598937 BHPOLVVYIPCTJL-CQSZACIVSA-N 445.566 3.978 0 40 IHAB CN(CC(=O)Nc1cccc(F)c1)C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 9125169 TWIDCRJYNKDLAV-UHFFFAOYSA-N 429.455 3.784 0 40 IHAB CC(=O)NCc1ccc(C(=O)CSc2nnc(COc3ccc(Cl)cc3)o2)cc1 9255312 JIGLLJIPZVFANB-UHFFFAOYSA-N 431.901 3.913 0 40 IHAB O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)Nc1ccc(F)c(Cl)c1 9283440 QMGVKUAYNMVKHY-UHFFFAOYSA-N 437.858 3.913 0 40 IHAB O=C(COc1cccc(C(=O)NCc2ccccc2)c1)Nc1ccc(N2CCCC2=O)cc1 9387936 CBXKOHCOJNDAIA-UHFFFAOYSA-N 443.503 3.761 0 40 IHAB Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3cc4ccccc4o3)C2=O)c(C)n1C[C@H]1CCCO1 9548459 LDBRWNBMPZAOKG-IQGLISFBSA-N 449.507 3.680 0 40 IHAB O=C(Nc1ccc2c(c1)CCC2)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 9666776 LHINBDVQWMNPPJ-SFHVURJKSA-N 434.945 3.538 0 40 IHAB CN(CC(=O)Nc1ccc(C(N)=O)cc1)Cc1ccc(-c2ccc(Br)cc2)o1 9684004 JKSIMJGWATVUKF-UHFFFAOYSA-N 442.313 3.879 0 40 IHAB Cc1nc2ncnn2c(C)c1CCC(=O)N(C1=N[C@H](C)CS1)c1ccc(Cl)cc1 9712185 MEZLWRPHRZKQPB-GFCCVEGCSA-N 428.949 3.852 0 40 IHAB Cc1ccc(-c2csc3ncn(CC(=O)N(C)Cc4ccc5c(c4)OCO5)c(=O)c23)cc1 9729057 ROGYSGJTFWLHHW-UHFFFAOYSA-N 447.516 3.821 0 40 IHAB CCOc1ccc(-c2ccc3nnc(SCC(=O)N4CCc5ccccc54)n3n2)cc1 9829083 OPJPOAXMJGOGCB-UHFFFAOYSA-N 431.521 3.871 0 40 IHAB CCOc1ccc(NC(=O)[C@H](C)N(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)cc1 10433842 LWURBKGDIQCJJG-ZDUSSCGKSA-N 426.922 3.541 0 40 IHAB COc1ccc2c(c1)CCCN2C(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c1 10542020 KIZAVLMJYURMFY-ROUUACIJSA-N 442.581 3.955 0 40 IHAB CNS(=O)(=O)c1cccc(C(=O)OCC(=O)c2c(-c3ccccc3)[nH]c3ccccc23)c1 11293282 KTFOZYWHKYYNAP-UHFFFAOYSA-N 448.500 3.783 0 40 IHAB CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCCN3S(=O)(=O)c3cccnc3)cc2n1 12230350 RBZASFMHUMHSOR-MRXNPFEDSA-N 439.463 3.792 0 40 IHAB Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)N3CCC[C@@H](C)C3)cc2c1 12710870 OCEZPYRAGQLBJH-UZUQRXQVSA-N 446.530 3.832 0 40 IHAB O=S(=O)(c1ccc(F)cc1)N1CCCN(c2ncnc3sc4c(c23)CCCC4)CC1 12778823 FTSDVVJUWXVARV-UHFFFAOYSA-N 446.573 3.610 0 40 IHAB Cc1ccc(N(CC(=O)NC2CCCC2)C(=O)CCC(=O)Nc2nccs2)c(C)c1 13501698 HJWAFIYCAKDFQO-UHFFFAOYSA-N 428.558 3.571 0 40 IHAB Fc1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CCN(c3ccc(F)cc3)CC2)cc1 13504615 FMVUBNBBSSJCON-DEOSSOPVSA-N 446.505 3.911 0 40 IHAB O=C(c1ccccc1)[C@H]1[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2[C@H]2CCCN21 13556117 DURIVYJWBKVZRM-AKHDSKFASA-N 429.303 3.829 0 40 IHAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NCCSCc1c(Cl)cccc1Cl 13688810 KZJXWRZCNUYWRT-OKILXGFUSA-N 441.380 3.684 0 40 IHAB CC[C@@H](C(=O)NCCSc1ccc(Cl)cc1)N(c1ccccc1)S(C)(=O)=O 13711160 VZNDMPDPJRUBIQ-SFHVURJKSA-N 426.991 3.793 0 40 IHAB Cc1ccc(C)c(OC[C@@H](O)CSc2nc3sc4c(c3c(=O)n2C)CCC4)c1C 14251379 WYJPLNGKDZNJIF-OAHLLOKOSA-N 430.595 3.941 0 40 IHAB C[C@H]1c2cccn2CCN1CC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 15417458 RRMLHPCIJWUMFJ-QFIPXVFZSA-N 443.595 3.826 0 40 IHAB COc1ccc(NC(=O)[C@H](C)SCc2cc(=O)n3cc(Br)ccc3n2)cc1 15490689 LCGBBICKROSDCX-LBPRGKRZSA-N 448.342 3.726 0 40 IHAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)CC1 15518830 SLWHXXXASYMKKV-UHFFFAOYSA-N 434.367 3.936 0 40 IHAB COc1cc(OC)cc(C(=O)Nc2nc(CC(=O)Nc3cc(C)ccc3OC)cs2)c1 15881056 VQMYYBHQAQKDIQ-UHFFFAOYSA-N 441.509 3.911 0 40 IHAB COc1ccc(-c2nc(C)c(CCNC(=O)C(=O)Nc3ccc(F)cc3F)s2)cc1 16992118 RBTNXWLXXDLWDI-UHFFFAOYSA-N 431.464 3.703 0 40 IHAB Cc1nc(-c2ccc3c(c2)CCN3c2ccc(S(=O)(=O)N3CCCC3)cn2)cs1 18175290 FRVRGZBAKOFZJP-UHFFFAOYSA-N 426.567 3.992 0 40 IHAB CCNC(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCCN(C(=O)c2cccc(F)c2)C1 19528620 SQPLGASVPXYGPK-AREMUKBSSA-N 446.526 3.884 0 40 IHAB Cc1sc2nc(C)n(C3CCN(C(=O)CCn4cnc5ccccc54)CC3)c(=O)c2c1C 19561189 OLLQSNWFFXXMCE-UHFFFAOYSA-N 449.580 3.987 0 40 IHAB COCCC(=O)N1CCC(c2nc(N(C)C)ncc2-c2ccc(C(F)(F)F)cc2)CC1 19695198 JHKRGLRVPUCHRO-UHFFFAOYSA-N 436.478 3.971 0 40 IHAB COc1cccc(CC(=O)N2CCC(Cc3ccccc3-c3cccnc3)(C(N)=O)CC2)c1 19700256 WBDHCDLNIBGAMG-UHFFFAOYSA-N 443.547 3.637 0 40 IHAB Cc1ncc(C(=O)N2CCCC[C@@H]2c2ncc(C(=O)Nc3ccccc3F)c(C)n2)c(C)n1 19764839 VJVOOCHBPRXHEA-OAQYLSRUSA-N 448.502 3.951 0 40 IHAB COc1ccc(-c2nc(CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)O)cs2)cc1 20721448 XNUAIXPEKLRKEP-FQEVSTJZSA-N 435.505 3.655 0 40 IHAB CCc1nn2c(C)c(C(=O)Nc3ccccc3OC)nnc2c1-c1ccc(OC)c(OC)c1 20797650 YRYYTULRZOCPGL-UHFFFAOYSA-N 447.495 3.940 0 40 IHAB Cc1ccc2c(c1)[C@H](NC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O)CC(C)(C)O2 22340818 WPLSPEWHHKOWAI-LJQANCHMSA-N 430.570 3.796 0 40 IHAB Cc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(NCCCN3CCOCC3)o2)cc1 23118473 KQDRXRRFPHHKPM-UHFFFAOYSA-N 441.553 3.617 0 40 IHAB C[C@@H]1CCc2c(sc3nc(CCC(=O)NCCc4c[nH]c5ccccc45)[nH]c(=O)c23)C1 23126471 IRYZGSKUHVVKIE-CQSZACIVSA-N 434.565 3.882 0 40 IHAB O=C(Cn1nc2c(c1NC(=O)c1cccc3ccccc13)CSC2)NCc1ccco1 23139377 XYACLGVOQLQHOW-UHFFFAOYSA-N 432.505 3.945 0 40 IHAB COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)c1 24040468 BCYIMQVYGGENHD-UHFFFAOYSA-N 433.869 3.946 0 40 IHAB Cc1ccc(CN2C[C@@H](C(=O)OCC(=O)Nc3cccc(Cl)c3Cl)CC2=O)cc1 28609560 VNJPFFMQDHVURZ-HNNXBMFYSA-N 435.307 3.832 0 40 IHAB CC(C)(C)c1ccc(CCC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1 30958530 INGBCFMZSWHMAL-UHFFFAOYSA-N 432.561 3.589 0 40 IHAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 32753085 UVHWQBMOWTUTJG-XLIONFOSSA-N 442.512 3.649 0 40 IHAB O=C(c1ccc(F)cc1)N1CCC[C@H](C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)C1 32882894 XZFSTVRILHTMBB-OALUTQOASA-N 434.515 3.960 0 40 IHAB O=C(CSc1ccc(F)cc1)NCC[C@@H]1CCCCN1S(=O)(=O)c1cccs1 38561682 HCJKHXWUDMLCDE-INIZCTEOSA-N 442.603 3.729 0 40 IHAB CC(C)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccc(F)cc4)[nH]c(=O)c32)cc1 40399673 GOSPGSYUOXQIJL-QGZVFWFLSA-N 435.459 3.841 0 40 IHAB CN1CCc2nc(-c3ccccc3)n(CC(=O)Nc3cc(Cl)ccc3Cl)c(=O)c2C1 49400661 CTEHGSIQPXXOJU-UHFFFAOYSA-N 443.334 3.844 0 40 IHAB COc1cccc(-c2cc(=O)n(CC(=O)Nc3cc(Cl)c(OC)cc3OC)c(C)n2)c1 49404752 AFUGIVOQMJCPLJ-UHFFFAOYSA-N 443.887 3.537 0 40 IHAB CCc1cccc(C)c1NC(=O)Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2ccccc21 51357836 BYUWDLHYLGMCGP-UHFFFAOYSA-N 445.494 3.860 0 40 IHAB CCn1c(=O)c2sccc2n(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1=O 57478763 TZRQKSJFFRXQIZ-UHFFFAOYSA-N 431.823 3.556 0 40 IHAB COc1ccccc1-n1c(SCC(=O)N2CCCC[C@@H]2C)nc2ccsc2c1=O 57487633 FMTGCVJTCUCACR-AWEZNQCLSA-N 429.567 3.949 0 40 IHAB O=C(NCc1cc(Br)c2c(c1)OCO2)Nc1cccc(Cn2cccn2)c1 64529575 CBAKSJGFLLXERQ-UHFFFAOYSA-N 429.274 3.744 0 40 IHAB COc1ccc(-c2nc(C)cc(=O)n2CC(=O)Nc2ccc(Br)cc2)cc1 67198578 DMHDZHLJAPIIQZ-UHFFFAOYSA-N 428.286 3.629 0 40 IHAB CCCOc1ccc(CNC(=O)c2cn(-c3cc(-c4nc(C5CC5)no4)ccn3)cn2)cc1 71768427 BFEXUKKVZXUALX-UHFFFAOYSA-N 444.495 3.914 0 40 IHAB Cc1nn(C)cc1C(=O)N1CC[C@@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)[nH]n2)C1 72371484 FBBSWGSYNBBUPS-OAHLLOKOSA-N 447.461 3.722 0 40 IHAB Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)N1CCCCC[C@@H]1CC(=O)c1ccccc1 79045197 XOYWSKZHRRTAAP-OAQYLSRUSA-N 444.535 3.727 0 40 IHAB COc1ccc([C@H](C)NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1Cn1cccn1 84647828 DIQNDMYLRJGJMK-MBSDFSHPSA-N 435.524 3.989 0 40 IHAB C[C@@H]1CCCCN1C(=O)c1ncn2c(C3CCN(C(=O)c4ccsc4)CC3)ccnc12 96267245 OUDOVLROIWMFBL-MRXNPFEDSA-N 437.569 3.825 0 40 IHAB CC(=O)N(C)c1ccc(NC(=O)C23C[C@H]4C[C@H](C2)CC(n2cnc(Cl)n2)(C4)C3)cc1 100863365 JIVLZUJFCFRLJD-KILAXVPQSA-N 427.936 3.848 0 40 IHAB CCOC(=O)[C@H](C(=O)CSc1nnc2sc3ccccc3n12)c1nc(C)cs1 103034759 PHLMOYVURVJQHY-CQSZACIVSA-N 432.552 3.717 0 40 IHAB C[C@H](NC(=O)C(C)(C)S(=O)(=O)c1ccc(Br)cc1)[C@H]1C[C@H]2CC[C@H]1C2 106184241 KIDLEHSAYJAUHY-AYMQEEERSA-N 428.392 3.942 0 40 IHAB CC[C@H](C(=O)NCc1cccc(OC(C)C)c1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 113950139 CARACTKABGPJNN-JOCHJYFZSA-N 432.586 3.952 0 40 IHAB O=C(NCc1ccc2ccccc2c1)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 222792657 UFOABEIDVBBNQU-UHFFFAOYSA-N 440.540 3.837 0 40 IHAB Cc1ccc(NC(=O)CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)c(Br)c1 223061289 OMXYDNBPEIZSQX-UHFFFAOYSA-N 445.766 3.811 0 40 IHAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(CC)cc1 223504089 NSEBITTZPIIAPA-LJQANCHMSA-N 426.557 3.970 0 40 IHAB S=C(NCC1(c2cccc(Cl)c2)CCOCC1)Nc1ccc(N2CCOCC2)nc1 224022544 KIDJAKMMUGWMPL-UHFFFAOYSA-N 447.004 3.606 0 40 IHAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)CCc1ccc2c(c1)OCO2 224083845 VNWMMSYPABRLKQ-MRXNPFEDSA-N 428.504 3.819 0 40 IHAB COC(=O)c1cc(S(=O)(=O)NCCSCc2ccccc2Cl)ccc1Cl 224639042 CQOTVVMLDGHSMQ-UHFFFAOYSA-N 434.366 3.992 0 40 IHAB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1OC 224878494 SZTDONVGNWOQEL-NRFANRHFSA-N 442.556 3.662 0 40 IHAB CCN(CC)C(=O)CN1CCO[C@H](c2cccc(Cc3ccccc3C(F)(F)F)n2)C1 257225157 FFCNSLXHEQYDBX-NRFANRHFSA-N 435.490 3.933 0 40 IHAB COc1ccc(NC(=O)CN2CCC(c3cc(Nc4cnccn4)cc(C)n3)CC2)cc1 257231052 GEZQGKROLNLVCM-UHFFFAOYSA-N 432.528 3.750 0 40 IHAB CCc1nnc(Nc2cccc([C@@H]3CCCN(C(=O)Cc4c(C)noc4C)C3)n2)s1 257249765 JJRHMHSEZCIAHS-OAHLLOKOSA-N 426.546 3.793 0 40 IHAB CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)CN3CCCC3=O)CC2)n1 257267810 MIWPYLRBPZAESE-KESTWPANSA-N 435.572 3.674 0 40 IHAB CNC(=O)C1(Cc2ccccc2-c2ccncc2)CCN(C(=O)COc2ccccc2)CC1 257309946 UCZPAJZVFRYFHF-UHFFFAOYSA-N 443.547 3.725 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)c3ccccc3)C2)cc1C 408557211 MBZUMFDZSBRBJC-ICSRJNTNSA-N 430.570 3.672 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2c(F)cccc2F)C1 408591347 LGGROQXYTNUDGU-LBPRGKRZSA-N 444.887 3.666 0 40 IHAB CC(C)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1 408601720 GRDSKZSWOXDZTP-CYBMUJFWSA-N 430.448 3.798 0 40 IHAB O=C(O)Cn1cc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)c2ccccc21 409137134 VGASDADRFYVSLC-ODLFYWEKSA-N 440.452 3.980 0 40 IHAB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cccn2-c2ccc(C)cc2)C1=O 409251354 PLLSHQBWRUKMOP-PXLXIMEGSA-N 428.492 3.880 0 40 IHAB CN(C(=O)NCCc1ccc(Br)s1)[C@H]1CCCN(c2ccccc2)C1=O 523791334 XHZAOLYEIKBYCF-INIZCTEOSA-N 436.375 3.890 0 40 IHAB O=C1NCCCCCOc2ccc(C(=O)NCCCN3CCCC3)cc2Cc2cccc1c2 643579376 VGSVNNCGXLVVAV-UHFFFAOYSA-N 449.595 3.786 0 40 IHAB COCCCn1c(C)cc(=O)c([C@H](CC(=O)OC)c2ccc(-c3ccccc3)o2)c1O 1547205821 MOKRGAMWZZPAGD-GOSISDBHSA-N 425.481 3.854 0 40 IHAB O=C(OCC1(COC(=O)c2ccc(Cl)cc2)COCOC1)c1ccc(Cl)cc1 701956 JPOXLMNFIPGHCO-UHFFFAOYSA-N 425.264 3.998 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccccc3)[C@@H]2c2ccccc2)cc1 1090460 MGPRFFURVQETOW-DEOSSOPVSA-N 436.533 3.606 0 40 IHAB COc1ccccc1N1CCN(C(=O)CSc2nnc(-c3ccccc3Cl)o2)CC1 1328753 SLVKJPXEZSJBOC-UHFFFAOYSA-N 444.944 3.840 0 40 IHAB O=C(Cn1cc(I)cn1)Nc1cc(C(F)(F)F)ccc1Cl 1432673 KKKXMWYGNRPYFG-UHFFFAOYSA-N 429.567 3.799 0 40 IHAB Cc1ccc(C)c(C(=O)COC(=O)[C@@H](NS(=O)(=O)/C=C/c2ccccc2)C(C)C)c1 3364451 UJRCMNNNRFAABA-GNNUASRNSA-N 429.538 3.644 0 40 IHAB Cc1sc2ncnc(SCC(=O)NC(=O)Nc3ccc4c(c3)OCCO4)c2c1C 3495373 OOJOVBGLFKSWFH-UHFFFAOYSA-N 430.511 3.520 0 40 IHAB Cc1cc(=O)oc2cc(OC(=O)c3ccc(Cl)c(S(=O)(=O)N4CCCC4)c3)ccc12 3566520 KWPQVBCOAJUHOF-UHFFFAOYSA-N 447.896 3.759 0 40 IHAB O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)c2ccccc2)C1)NC1CCCCC1 4236427 OUJZEZWRSKWLDJ-PKOBYXMFSA-N 434.540 3.562 0 40 IHAB biogenic,in-vitro Cc1cc(N2CCCC2=O)cc(C)c1S(=O)(=O)NCCc1c(C)[nH]c2ccccc12 4593615 SHRXGZATPUKFOW-UHFFFAOYSA-N 425.554 3.741 0 40 IHAB CSCC(=O)N1C[C@@H]2C[C@H](C1)c1ccc(-c3ccc(OC(F)(F)F)cc3)c(=O)n1C2 5414984 HJLIGPNVICWMIN-DZGCQCFKSA-N 438.471 3.723 0 40 IHAB biogenic,in-vitro CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(Cc3cn4cccc(C)c4n3)CC2)cc1 6657901 CZDYZXQGZXWBKR-GOSISDBHSA-N 426.586 3.663 0 40 IHAB Cc1cc(=O)oc2c3c(cc(OCC(=O)Nc4ccc(CCO)cc4)c12)OC(C)(C)CC3 8791433 KCJBAOYPSIGKFG-UHFFFAOYSA-N 437.492 3.757 0 40 IHAB biogenic COc1ccc(S(=O)(=O)NC[C@@H]2CN(c3ccc(Cl)c(Cl)c3)C(=O)O2)cc1C 8838480 RDECXHSLDHRFLH-CYBMUJFWSA-N 445.324 3.614 0 40 IHAB Cc1cc(C)cc(NC(=O)COC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)c1 9055717 BBIMIXRUCISZFA-UHFFFAOYSA-N 428.444 3.900 0 40 IHAB Cc1nnc2n1N[C@H](c1ccccc1)[C@@H](C(=O)Nc1ccc(Br)cc1F)S2 9237943 JYKQDGQITFIVOY-CVEARBPZSA-N 448.321 3.886 0 40 IHAB O=C(CSc1nnnn1-c1cccc(Cl)c1)NCCc1c[nH]c2ccc(Cl)cc12 9253569 CPWHQSFRPTXYRY-UHFFFAOYSA-N 447.351 3.901 0 40 IHAB COc1ccccc1CNc1nc(-c2cccnc2)nn1C(=O)c1ccc(OC)c(OC)c1 9288929 RMPUDKONEOCCQZ-UHFFFAOYSA-N 445.479 3.667 0 40 IHAB CCOc1ccc(Oc2ccc(Cl)cc2NCC(=O)N(C)CC(=O)NC(C)C)cc1 9365331 QIZFKSOLHXCRED-UHFFFAOYSA-N 433.936 3.926 0 40 IHAB COc1ccc(-c2nsc(SCC(=O)NCCc3ccc(OC)c(OC)c3)n2)cc1 9404046 SHLLXCOORZDERA-UHFFFAOYSA-N 445.566 3.682 0 40 IHAB COC(=O)c1c(NC(=O)COC(=O)/C=C/c2nc3ccccc3s2)sc(C)c1C 9464779 ZDGFPSGNEPJGEB-CMDGGOBGSA-N 430.507 3.956 0 40 IHAB COc1ccccc1NC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 9467526 FJACWIXNABSEJI-UHFFFAOYSA-N 427.486 3.547 0 40 IHAB COc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1S(=O)(=O)NC1CC1 9645813 FENPMDSGQKMRQY-HNNXBMFYSA-N 428.554 3.506 0 40 IHAB COc1ccc(C)cc1NC(=O)CSc1nc(=O)n(Cc2ccco2)c2c1CCCC2 10186673 GKCZTMZLHYPTON-UHFFFAOYSA-N 439.537 3.811 0 40 IHAB CCN(CC)CCN(C(=O)c1cccc(F)c1)c1nc2ccc(S(C)(=O)=O)cc2s1 10337364 GUVHOGPWDZIWQP-UHFFFAOYSA-N 449.573 3.828 0 40 IHAB CCCCc1cc(=O)oc2c(C)c(OCC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)ccc12 11866916 FZDXWPBMMTUCCU-UQBPGWFLSA-N 427.541 3.976 0 40 IHAB biogenic CCn1c(=O)oc2cc(S(=O)(=O)N[C@H](Cc3ccsc3)c3ccc(C)cn3)ccc21 12229427 KVOKNXPTJSBSMH-GOSISDBHSA-N 443.550 3.642 0 40 IHAB C[C@H]1Oc2ccc(NC(=O)c3oc4ccccc4c3CSc3ncn[nH]3)cc2NC1=O 12844920 BIPPZZCAQZNIJK-LLVKDONJSA-N 435.465 3.815 0 40 IHAB O=C1NC2(CCCCCC2)C(=O)N1CC(=O)N1c2ccccc2OC[C@@H]1c1ccccc1 13109965 BPMVXVGVXZGILK-HXUWFJFHSA-N 433.508 3.798 0 40 IHAB Cc1ccc(-c2nn(Cc3ccccc3)cc2/C=C/C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 13128884 LSNZHNYPSKWYMI-MDRMPYQZSA-N 449.576 3.566 0 40 IHAB CCN(c1ccc(OCC(=O)NCCCOC(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 13585404 ZRPBGRHQSBMGAX-UHFFFAOYSA-N 448.585 3.520 0 40 IHAB O=C(Cc1ccc(Cl)cc1)Nc1cc(-c2ccccc2)nn1[C@@H]1CCS(=O)(=O)C1 13721819 VYVSMBFNRXJPTB-GOSISDBHSA-N 429.929 3.744 0 40 IHAB CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)N(Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 13759340 FSGDLKDCMCTAEZ-BFYDXBDKSA-N 434.360 3.933 0 40 IHAB CC(=O)Nc1ccccc1C(=O)OCc1cc(=O)n2nc(C3CCCCC3)sc2n1 15772115 QYZIWUQOAGRXBY-UHFFFAOYSA-N 426.498 3.514 0 40 IHAB Cc1cccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C)cc3C)c(O)n2)c1 16840126 YAAMTTDSWKCTMN-UHFFFAOYSA-N 443.550 3.671 0 40 IHAB COc1ccc(-c2ccc(=O)n(Cc3nc(-c4ccc(Br)cc4)no3)n2)cc1 16844855 YMCDZDJJQPKPAV-UHFFFAOYSA-N 439.269 3.780 0 40 IHAB CC(=O)O[C@@H](CN(Cc1ccco1)S(C)(=O)=O)Cn1c2ccccc2c2ccccc21 16890642 KCQOBXYSQDRGSX-IBGZPJMESA-N 440.521 3.781 0 40 IHAB COc1ccc(OCCc2sc([C@@]3(O)CCCN(C(=O)C(C)C)CC3)nc2C)cc1 19738753 KUIAOSBWAKWPJP-HSZRJFAPSA-N 432.586 3.938 0 40 IHAB CCn1cc(CN2CCC[C@H]2c2nc(C)c3c(n2)N(Cc2ccc(F)cc2)C(=O)CC3)cn1 19741743 ULSBOLLDLXTDPK-QFIPXVFZSA-N 448.546 3.957 0 40 IHAB Cn1cc(C(=O)NCc2ccc(F)cc2)c(CC2CCN(CCc3ccccc3)CC2)n1 19756325 BWOHXIXMKRCZKB-UHFFFAOYSA-N 434.559 3.986 0 40 IHAB CCOc1ccc([C@@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1OCC 20049975 MYESYCNAPSOTHH-CYBMUJFWSA-N 440.949 4.000 0 40 IHAB COc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1OC 20450988 UARWUWOWYAUEAE-QGZVFWFLSA-N 446.569 3.678 0 40 IHAB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCCc2ccccn2)c(OC)c1 21183611 AYYCTSUWIALROM-UHFFFAOYSA-N 428.492 3.924 0 40 IHAB O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl)N1CCCC1 22246361 RJHGKENPRQWECU-KRWDZBQOSA-N 427.353 3.505 0 40 IHAB Cc1cc(OCC[S@](=O)CC(=O)N2CCN(c3ccc(F)cc3)CC2)ccc1C(C)C 24830325 QCDDVCOUDOMIRV-WJOKGBTCSA-N 446.588 3.734 0 40 IHAB O=C(COc1ccccc1-c1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 25777603 IDQGRYVWDHOUTK-UHFFFAOYSA-N 430.504 3.806 0 40 IHAB O=C(NC1CCN(C(=O)CSc2nc3ccccc3s2)CC1)c1ccc(F)cc1 29094012 NLBSIOGGPWZPIQ-UHFFFAOYSA-N 429.542 3.949 0 40 IHAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)SCc3ccccc3)cc2)n1 30855526 SFIPBVTZTUCDCQ-MRXNPFEDSA-N 442.566 3.846 0 40 IHAB COC(=O)c1sccc1NC(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 31662515 TURAJGWIQCCSNN-UHFFFAOYSA-N 441.431 3.543 0 40 IHAB COc1ccc([C@H]2CC(O)=Nc3c2c(C)nn3-c2ccc(Cl)nn2)c(OC)c1OC 32096825 AFMTZKXRXNNTDB-GFCCVEGCSA-N 429.864 3.774 0 40 IHAB C[C@H]1C[C@H]1c1ccc(CN(C)C(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)o1 32837330 IUYNGZXEXHHIOJ-HRAATJIYSA-N 426.538 3.835 0 40 IHAB O=C(NCc1ccc(CN2CCOCC2)cc1)c1ccc(NC(=O)c2ccccc2)cc1 32907664 CRUZNLDPROPWTJ-UHFFFAOYSA-N 429.520 3.701 0 40 IHAB COCCN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 33000140 CVHXEASCNOTOTR-UHFFFAOYSA-N 438.549 3.801 0 40 IHAB Cc1ccn2c(=O)cc(COc3cccc(NC(=O)COc4ccccc4C)c3)nc2c1 33268616 CYSKVRJPWSWHHU-UHFFFAOYSA-N 429.476 3.908 0 40 IHAB CC(C)n1cc2c(C(F)(F)F)cc(=O)n(CCC(=O)Nc3ccc(Cl)cn3)c2n1 36621494 KBFJUMUJVOVGDF-UHFFFAOYSA-N 427.814 3.875 0 40 IHAB CS(=O)(=O)N1CC[C@@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)Oc2ccccc21 38850619 BFFDDYXSQOECJW-INIZCTEOSA-N 448.850 3.915 0 40 IHAB C[C@@H]1CCCC[C@]12NC(=O)N(CCC(=O)Nc1ccccc1C(=O)c1ccccc1)C2=O 40024999 BTBJYRVOIKYQLH-NSYGIPOTSA-N 433.508 3.747 0 40 IHAB COc1ccc(C(=O)Nc2ccc3[nH]c(C)cc3c2)cc1S(=O)(=O)NC1CCCC1 40072692 IAXKOFRLUYBALI-UHFFFAOYSA-N 427.526 3.958 0 40 IHAB C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)OCc1nc(-c3ccccc3)cs1)C2=O 40114574 UJMJVKVWMGVIOJ-NPMXOYFQSA-N 441.553 3.990 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)Cn2c(C)nc3ccccc32)c1 40114978 FPWPTHYLTDKHPU-UHFFFAOYSA-N 428.558 3.631 0 40 IHAB COc1ccc(-c2cc(C(=O)N[C@@H](CCSC)C(=O)O)c3ccccc3n2)cc1OC 40312460 KCEXMQXOFIDLNK-SFHVURJKSA-N 440.521 3.855 0 40 IHAB biogenic CCc1ccccc1NC(=O)Cn1c(=O)n(Cc2ccc(C)cc2)c(=O)c2ccccc21 40478447 CWYLRIKDTFWVOU-UHFFFAOYSA-N 427.504 3.721 0 40 IHAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1C 44903799 ITYRSGGIGPOCQR-QGZVFWFLSA-N 434.558 3.713 0 40 IHAB CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCc1ccc(-n2ccnc2)c(F)c1 48311397 IGCPLNSOYJXKHZ-HXUWFJFHSA-N 428.895 3.736 0 40 IHAB CCc1ccc(-n2cc(C(=O)N3CCC(NC(=O)c4cccc(Cl)c4)CC3)nn2)cc1 49406445 SOWXFNHCUXQTKL-UHFFFAOYSA-N 437.931 3.518 0 40 IHAB CCOc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3)nc3[nH]ncc3c2=O)cc1 51316424 BYNFUTLVHSKFIT-UHFFFAOYSA-N 435.509 3.547 0 40 IHAB Cc1ccc(NC(=O)Cn2c(=O)n(-c3cc(F)cc(F)c3)c(=O)c3sccc32)c(C)c1 57429032 GZXHMXSFLFCZAR-UHFFFAOYSA-N 441.459 3.748 0 40 IHAB CCS(=O)(=O)c1ccc(S(=O)(=O)N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)cc1 58392570 FUBJSBBXOKQIPE-UHFFFAOYSA-N 448.541 3.579 0 40 IHAB Cc1cccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@@H](C)[C@@]5(C)[C@H](O)[C@@H]43)CC2)c1C 59409684 IYVNGAUMUARQSV-ATRPRCRCSA-N 438.612 3.710 0 40 IHAB biogenic Cc1ccc(N2CCN(C[C@H]3C(=O)O[C@@H]4CC5=CCC[C@@H](C)[C@@]5(C)[C@H](O)[C@H]34)CC2)cc1C 61997551 ZZSQDHGSNRGFRY-FJKKEWJSSA-N 438.612 3.710 0 40 IHAB CC[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1)c1ccc(OC)cc1 64712547 XTPFEWCGOBVSFU-UGKGYDQZSA-N 430.570 3.672 0 40 IHAB CCOc1ccc(NC(=O)Cn2c(C)cc3nc(SC)n(CC(C)C)c(=O)c32)cc1 67319852 MGXIOSQADXJBNC-UHFFFAOYSA-N 428.558 3.922 0 40 IHAB C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccccc1S(=O)(=O)C(F)F 69311804 NNYLDKAOXPXHLP-SNVBAGLBSA-N 434.258 3.851 0 40 IHAB CCOc1ccc(-c2noc(CCC(=O)N3CCN(CC(F)(F)F)C(C)(C)C3)n2)cc1 72298214 CFBIUIPIZAKJII-UHFFFAOYSA-N 440.466 3.553 0 40 IHAB COc1ccc(F)cc1-c1ccc(C[C@]2(C(=O)NCCn3ccc(C)n3)CCCO2)cc1 72345360 IVGHUYAXCZRVLM-VWLOTQADSA-N 437.515 3.914 0 40 IHAB CC(C)(O)CSCCNC(=O)Cc1csc(-c2cccc(Br)c2)n1 78823766 LTBFPMYEDCHTFH-UHFFFAOYSA-N 429.405 3.735 0 40 IHAB Cc1cc2nc(-c3ccc(CNC(=O)Cn4cnc5ccccc5c4=O)cc3)[nH]c2cc1C 79051497 VLXPDZRYGJIDQU-UHFFFAOYSA-N 437.503 3.873 0 40 IHAB CCOc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2c(CC)cccc2CC)CC1=O 111881053 NKHVBNDJKONEIK-IBGZPJMESA-N 438.524 3.745 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)cc2)c2ccccc2OC)cc1 113938029 CYZKGVVEMFWQKY-UHFFFAOYSA-N 440.521 3.846 0 40 IHAB CSc1ccc(S(=O)(=O)NCCSC2CCCC2)cc1C(=O)N1CCCC1 224104118 SNRFAPKRNOOPFH-UHFFFAOYSA-N 428.645 3.599 0 40 IHAB CSc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCCC2)cc1NC(C)=O 224853181 AUUDWTBRRATJOC-UHFFFAOYSA-N 447.626 3.831 0 40 IHAB COc1ccc(CCNC(=O)c2snnc2-c2ccc(Br)cc2)cc1OC 225782630 KCZQYRPEYOZXLW-UHFFFAOYSA-N 448.342 3.957 0 40 IHAB NC(=O)c1cc(Br)c2[nH]c(-c3ccc(I)cc3)nc2c1 226344590 UGVXVTQFSHCXPP-UHFFFAOYSA-N 442.054 3.696 0 40 IHAB Cc1cc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3ccccc3)o2)nc(N2CCOCC2)n1 257257239 KORIMOHHLQICLV-JOCHJYFZSA-N 447.539 3.568 0 40 IHAB CC1(C)Oc2cc(O)ccc2[C@H]2O[C@H]3CCN(C(=O)CCCc4cn[nH]c4)C[C@@H]3C[C@@H]21 257326130 WVYGMHBTQXUPMU-VHTOSUDKSA-N 425.529 3.604 0 40 IHAB O=C(C1CCOCC1)N1CCC(c2ccnc(Nc3ncccc3C(F)(F)F)n2)CC1 257333373 YBHLFHLWTPDJMC-UHFFFAOYSA-N 435.450 3.767 0 40 IHAB Cc1cccc(COc2c(Cl)cc(/C=C3/NC(=O)N(CC(=O)O)C3=O)cc2Cl)c1 408594103 SFGCMMQPEJUJEA-LZYBPNLTSA-N 435.263 3.858 0 40 IHAB COc1ccccc1NS(=O)(=O)c1ccc(O[C@H](C)C(=O)NC2CCCCC2)cc1 408610293 OSSFGAMEWNCQFP-MRXNPFEDSA-N 432.542 3.712 0 40 IHAB Cc1c(Cl)cccc1NC(=O)CN(Cc1ccc(Br)cc1)S(C)(=O)=O 408612634 TWKUOOXILRVBFN-UHFFFAOYSA-N 445.766 3.811 0 40 IHAB Cc1nnc(S/C(=C\c2cc(Br)c(O)c(Br)c2)C(=O)O)o1 408632848 UEWUPKDDINUZCQ-WTKPLQERSA-N 436.081 3.826 0 40 IHAB COc1ccc([C@H]2[C@H](NC(=O)c3ccc(C)cc3)C(=O)N/[N+]2=C\c2ccccc2Cl)cc1 409055540 CJWJASLZEAXRSK-WAUWHALJSA-O 448.930 3.673 0 40 IHAB O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccccc1NS(=O)(=O)c1ccccc1 409411377 HISXLYGLNHRROW-UHFFFAOYSA-N 449.532 3.976 0 40 IHAB Cn1nc(-c2ccc(Br)cc2)cc1C(=O)NC[C@H]1CCCN2CCCC[C@@H]12 504772525 BWVRGYZEWUOEER-APWZRJJASA-N 431.378 3.844 0 40 IHAB biogenic Cc1nc(-c2cc3c(s2)CCN(C(=O)[C@H]2CC(=O)N(Cc4ccco4)C2)C3)cs1 540131950 DCLMVOBAWXZWJH-HNNXBMFYSA-N 427.551 3.706 0 40 IHAB Cc1cc(OC[C@]2(CC(=O)N3CCCCC3)CN(C(=O)C(C)C)CCO2)ccc1Cl 585285740 MJPACJTUYLFILM-QHCPKHFHSA-N 436.980 3.683 0 40 IHAB Cc1cc(C)nc(Nc2cc([C@H]3CCCN(C(=O)/C=C/c4cccnc4)C3)nc(C)n2)n1 585292599 LCLAEDHJBAYUIU-IBDYFIJFSA-N 429.528 3.750 0 40 IHAB O=C(Cn1ccc2ccccc21)N1CCC[C@H](COc2ncc(Br)cn2)C1 1775969940 SQGOUBYMYGHLJY-HNNXBMFYSA-N 429.318 3.511 0 40 IHAB COc1ccc(CNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 829931 CYCLHEZWUPSGSH-UHFFFAOYSA-N 444.940 3.860 0 40 IHAB O=C1c2ccccc2C(=O)N1CN(C(=O)C(F)(F)F)c1ccc(Br)cc1 910500 ZIYBTYFRGBHVPF-UHFFFAOYSA-N 427.176 3.598 0 40 IHAB COc1ccccc1NC(=O)CSc1nnc2c3c4c(sc3ncn12)CCCC4 925293 YNMHZHUTEZNWPI-UHFFFAOYSA-N 425.539 3.957 0 40 IHAB CC[C@H](C)OC(=O)Cn1cnc2sc(C(=O)Nc3ccc(C)cc3C)c(C)c2c1=O 958425 MIGBIZPOOUFMHB-AWEZNQCLSA-N 427.526 3.977 0 40 IHAB COc1ccc2nc(NC(=O)CN3CCC(n4nnc5cc(C)ccc54)CC3)sc2c1 1380742 VPXKUWJPBDJZRO-UHFFFAOYSA-N 436.541 3.634 0 40 IHAB Cc1coc2cc3oc(=O)c(CCC(=O)N[C@@H](Cc4ccccc4)C(=O)O)c(C)c3cc12 2102050 ZDAUMQYOSVJGGO-FQEVSTJZSA-N 433.460 3.901 0 40 IHAB biogenic CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@@H]2CCCC[C@H]2C)Cc2ccco2)cc1 2646441 UBIHHMDQMJEJLR-DYESRHJHSA-N 434.558 3.564 0 40 IHAB Cc1ccccc1-n1nc2c(c1NC(=O)c1ccc(OC(C)C)cc1)CS(=O)(=O)C2 3008476 MTRCJTDBZRKVKK-UHFFFAOYSA-N 425.510 3.649 0 40 IHAB CN(CC(=O)NCCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O)c1ccccc1 3582775 HPWPKIGXLHARBD-AQTBWJFISA-N 429.929 3.629 0 40 IHAB CCN(CC)C(=O)c1cccc(NC(=O)CN(Cc2cccs2)C[C@@H]2CCCO2)c1 7806625 CMHHAYHAHAWWQZ-FQEVSTJZSA-N 429.586 3.850 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CSc2nnc3c(n2)[nH]c2ccc(F)cc23)cc1 8435627 CAELYAMPRLKMCH-UHFFFAOYSA-N 425.445 3.553 0 40 IHAB COc1cc2c(cc1OC)[C@H](C)N(S(=O)(=O)c1ccc(Br)cc1)CC2 9129114 LEWAGIQXTBQCHL-LBPRGKRZSA-N 426.332 3.774 0 40 IHAB COc1cccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCN(C)C)c1OC 9328271 AZBHQIPGGRZSII-OAQYLSRUSA-N 436.508 3.534 0 40 IHAB CCOC(=O)c1nn(-c2ccccc2)c(=O)c2c(NC(=O)c3cccs3)scc12 9381370 PPDZEXKOLKAYLC-UHFFFAOYSA-N 425.491 3.938 0 40 IHAB C[C@H](NC(=O)CN1CCC(C(=O)N2CCCCCC2)CC1)c1ccc2c(c1)CCCC2 9501931 IHKODRLMZOQQQS-FQEVSTJZSA-N 425.617 3.857 0 40 IHAB C[C@H]1CCN(C(=O)CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)c2ccccc2S1 9576195 PAZNIEFHQWEWNC-KRWDZBQOSA-N 436.581 3.884 0 40 IHAB CN(C)S(=O)(=O)c1ccc(NC(=O)c2ccccc2OCc2ccc(F)cc2)cc1 9633171 HSXCJDDDZVJGHQ-UHFFFAOYSA-N 428.485 3.907 0 40 IHAB COc1cc(OC)cc(C(=O)N[C@@H](C(=O)N2CCc3[nH]c4ccccc4c3C2)C(C)C)c1 9900566 LPNLFFGDPBSBGB-HSZRJFAPSA-N 435.524 3.524 0 40 IHAB O=C(/C=C/c1cn(Cc2ccccc2)nn1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 9912376 UZJLGXNGCAECKU-YUAYGMJFSA-N 430.508 3.865 0 40 IHAB CCc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)N2CCOC)cc1 9934320 VLKDMLGKODCSIR-LJQANCHMSA-N 429.904 3.715 0 40 IHAB CCc1ccc(N(CC(=O)NCc2ccco2)S(=O)(=O)c2cc(C)ccc2OC)cc1 10300547 HKGHGDIBFRCZPC-UHFFFAOYSA-N 442.537 3.671 0 40 IHAB Cc1onc(-c2ccccc2)c1-c1nnc(COC(=O)[C@@H]2Oc3ccccc3O[C@H]2C)o1 10954938 ZJERFRSTGPBPQH-LHSJRXKWSA-N 433.420 3.972 0 40 IHAB O=S(=O)(CCSc1nnc(C2CC2)n1C1CC1)c1ccc(Br)cc1 11541052 DBSDMUAXONSMRZ-UHFFFAOYSA-N 428.377 3.819 0 40 IHAB O=C(Nc1ccc(F)cc1Cl)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 11772603 IXMFQXRBQBDTRW-UHFFFAOYSA-N 442.804 3.791 0 40 IHAB Cc1cc(C(F)F)n2ncc(C(=O)N3CCC[C@@H](c4ncncc4-c4ccncc4)C3)c2n1 12088578 XFIVDTZNIRBYLT-MRXNPFEDSA-N 449.465 3.847 0 40 IHAB O=C(Cc1ccc(-c2ccccc2)cc1)N1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2 12142320 DMWIDJRPFZTJOS-UHFFFAOYSA-N 447.560 3.619 0 40 IHAB COc1cccc(O[C@H](C)C(=O)N2CCC(c3nc4ccccc4cc3C(N)=O)CC2)c1 12219664 XNRZRBXPEUQOSN-MRXNPFEDSA-N 433.508 3.516 0 40 IHAB CCc1cccc(CC)c1-n1c(SCC(=O)Nc2ccc(F)cc2)nc(O)cc1=O 12636746 ONHUAXAAEWZYLC-UHFFFAOYSA-N 427.501 3.933 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2cc(Br)ccc2F)s1 12766618 DVGVVEHJQJDQQG-UHFFFAOYSA-N 449.367 3.610 0 40 IHAB Cc1ccc(S(=O)(=O)CCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 12794861 OVOHQEXYOAMONI-FQEVSTJZSA-N 429.538 3.684 0 40 IHAB Cc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)cc1F 12804607 XCOBXGZHUCQJGL-INIZCTEOSA-N 442.516 3.677 0 40 IHAB Cc1cc(C)c(NC(=O)CNC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(C)c1 12885864 DUXJDVLDDWKDSG-UHFFFAOYSA-N 441.959 3.872 0 40 IHAB COc1cc2c(cc1/C=C/C(=O)N1CCC(C(=O)N3CCCCCC3)CC1)O[C@H](C)C2 12899206 OTNIHCOGYXLSMP-LKGOPFMKSA-N 426.557 3.673 0 40 IHAB CN(c1ccccc1C(N)=O)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 12919148 GUCYIXCKDYPZIY-UHFFFAOYSA-N 438.130 3.680 0 40 IHAB CCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CC2)cc1S(=O)(=O)N(CC)CC 12928484 XGLNUBRMPUGART-UHFFFAOYSA-N 434.533 3.925 0 40 IHAB Cc1cc(C(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)c(C)n1C[C@@H]1CCCO1 13108047 XVXNHXGQAMRECI-KRWDZBQOSA-N 433.434 3.839 0 40 IHAB Cc1ccc(OCCNC(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)cc1 13113077 NUKUKHJBOYLWFX-UHFFFAOYSA-N 428.485 3.744 0 40 IHAB O=C1CN(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cccc(F)c2)c2ccccc2N1 13550679 KQRDEXHYAJAMFD-FQEVSTJZSA-N 432.455 3.544 0 40 IHAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1sc(C)nc1-c1ccccc1 15605911 TYAYWLYVNZTGKG-UHFFFAOYSA-N 431.539 3.630 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)c2ccc(C)cc2)cc1 16292571 VKKCAAJURTUPKM-NJNPRVFISA-N 428.554 3.504 0 40 IHAB Cc1cc(C)cc(OCCc2c(C)nc(N3CCN(Cc4ccccc4)CC3)[nH]c2=O)c1 16957354 NFJZXVUZDOUCQA-UHFFFAOYSA-N 432.568 3.639 0 40 IHAB O=C(Nc1nc(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)cs1)NC1CCCC1 17149976 UVYSFGZYQLXMHK-UHFFFAOYSA-N 447.992 3.752 0 40 IHAB O=C(CCN1C(=O)c2ccccc2C1=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 18120534 DUILXPAJXXHCIJ-UHFFFAOYSA-N 431.414 3.930 0 40 IHAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1 18155815 OUESEILRLWGSED-UHFFFAOYSA-N 426.476 3.994 0 40 IHAB CN1N=C(c2ccccc2)[C@H](C(c2cccs2)[C@@H]2C(=O)N(C)N=C2c2ccccc2)C1=O 18208964 UDLKONKPYGNEJY-SFTDATJTSA-N 442.544 3.817 0 40 IHAB O=C(C1CCCCC1)N1CCc2nc([C@@H]3CCCCN3C(=O)C3CCC3)nc(O)c2C1 19014697 PFHJKBJBDQCERM-FQEVSTJZSA-N 426.561 3.501 0 40 IHAB CC(C)(C)c1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@@H]1CCCN(C(=O)CN3CCCCC3)C1)N2 19084032 UGBWNJXBSVMSMZ-FGTMMUONSA-N 437.579 3.896 0 40 IHAB O=C(c1cccs1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CN(CC1CCCCC1)CC2 19342671 GQLACPRGARQOAZ-IBGZPJMESA-N 426.586 3.747 0 40 IHAB CCc1onc(C)c1C(=O)NCCn1nc(-c2ccc(OC)cc2)cc1-c1cccnc1 19521156 BSPZFIKBHZFDIP-UHFFFAOYSA-N 431.496 3.910 0 40 IHAB COc1ccc2c(c1)c([C@@H](O)CN1CCC3(CC1)C[C@@H](O)c1ccccc1O3)c(C)n2C 19581537 LWWKYMNXUATLNO-PKTZIBPZSA-N 436.552 3.879 0 40 IHAB Cc1cccc(NC(=O)CCCC(=O)N2[C@@H](c3ccccc3)C[C@@H]3NC(=O)CCC[C@H]32)n1 19713952 PMMBEKFQADFLSE-PWRODBHTSA-N 434.540 3.510 0 40 IHAB COc1ccc(OC)c(N(CC(=O)N(C)C2CCCC2)S(=O)(=O)c2ccc(C)cc2)c1 20485561 GXYONONBLNQOBH-UHFFFAOYSA-N 446.569 3.609 0 40 IHAB O=C(Nc1ccc(N2CCCC2)nc1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 21143544 GJSFXTIMDVKGHP-UHFFFAOYSA-N 440.500 3.874 0 40 IHAB CC(=O)Nc1ccc(C)cc1-c1nnc(SCC(=O)Nc2ccccc2Cl)nc1O 21882683 MWYZOFPRXZHJNA-UHFFFAOYSA-N 443.916 3.895 0 40 IHAB COC(=O)c1ccc(NC(=O)CN(c2ccccc2F)S(=O)(=O)c2cccs2)cc1 22383103 YLHDMENFTUOOMR-UHFFFAOYSA-N 448.497 3.508 0 40 IHAB Cc1oc2nc[nH]c(=O)c2c1C(=O)NCc1ccc(-c2ccc(Br)cc2)o1 22486091 GDTQKSIWOZJXST-UHFFFAOYSA-N 428.242 3.777 0 40 IHAB Cc1ccc2[nH]c3c(=O)n(CCC(=O)N4CCN(c5cccc(C)c5C)CC4)cnc3c2c1 23125629 YZZHZFLJHCEBBL-UHFFFAOYSA-N 443.551 3.542 0 40 IHAB Cc1ccc2[nH]c(C(=O)N3CCNC(=O)[C@H]3c3c(C)nn(-c4ccccc4)c3C)cc2c1 25143043 AWQTVUNPKWFFHM-HSZRJFAPSA-N 427.508 3.592 0 40 IHAB Cc1c(C(=O)Nc2cc(C(C)(C)C)nn2[C@H]2CCS(=O)(=O)C2)oc2c(F)cccc12 25161094 QDOJYEKDXPCNLM-ZDUSSCGKSA-N 433.505 3.986 0 40 IHAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)C1(NC(=O)NCc2ccccc2)CCCC1 26092630 VHVLDOKSQKZODL-UHFFFAOYSA-N 431.540 3.643 0 40 IHAB COCc1nn2c(C)c(C(=O)Nc3cc(OC)ccc3OC)nnc2c1-c1ccccc1 39963888 ROWDSWSWGIHLHF-UHFFFAOYSA-N 433.468 3.516 0 40 IHAB COc1cc([C@@H](C)NC(=O)c2cc(C(C)C)nc3c2c(C)nn3C)cc(OC)c1OC 40111757 QGYFJEARNIQRQL-CYBMUJFWSA-N 426.517 3.917 0 40 IHAB O=C(c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)N1CCN(c2ccc(F)cc2)CC1 40140189 GDVRZMITCUUKJK-UHFFFAOYSA-N 426.442 3.741 0 40 IHAB CCc1nn2c(nnc3c(=O)n(CCc4ccccc4OC)ccc32)c1-c1ccccc1 40388348 RIHAUCCRXVZKJP-UHFFFAOYSA-N 425.492 3.920 0 40 IHAB C[C@@H]1CN(c2ccccc2NC(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)C[C@@H](C)O1 48324517 SLRWYSOQLIGTMR-KNKQGSTJSA-N 436.556 3.785 0 40 IHAB Cc1nnc2ccc(S(=O)(=O)N(Cc3cc(F)cc(F)c3)c3cccc(F)c3)cn12 49408481 JVIXBWDXNLXIJQ-UHFFFAOYSA-N 432.427 3.851 0 40 IHAB C[C@H](NCC(=O)Nc1ccc(N2CCCCCC2)cc1)c1ccc(S(C)(=O)=O)cc1 57383579 QGUDGGCWKMKWMR-SFHVURJKSA-N 429.586 3.760 0 40 IHAB CC[C@@H]1CCCCN1C(=O)Cn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2sccc21 57491762 YORDLDAGSQIBNN-OAHLLOKOSA-N 431.945 3.658 0 40 IHAB CCN(CC)C(=O)C1(NC(=O)CSc2nncn2-c2ccc(C)c(C)c2)CCCCC1 58004899 IAYVIXQNGOQNLP-UHFFFAOYSA-N 443.617 3.664 0 40 IHAB CC(=O)Nc1c(C)cccc1-c1nnc(SCC(=O)Nc2ccc(F)cc2F)nc1O 64774841 LUISXZUMDAXWNL-UHFFFAOYSA-N 445.451 3.520 0 40 IHAB CC(C)n1cnc2c(-c3ccccc3)cn(CC(=O)Nc3ccc4c(c3)OCO4)c2c1=O 65113614 WZAHCVGIRZRYES-UHFFFAOYSA-N 430.464 3.813 0 40 IHAB O=C(Cn1c(=O)cc(-c2nc(-c3cccnc3)no2)c2ccccc21)Nc1cccc(F)c1 67318386 RSVWWUCGBNWYNA-UHFFFAOYSA-N 441.422 3.891 0 40 IHAB COc1cccc2c1ccn2CCC(=O)Nc1cccc(N2CCCCS2(=O)=O)c1 71282963 FYWSWMOUCHITMU-UHFFFAOYSA-N 427.526 3.609 0 40 IHAB CS(=O)(=O)Nc1cc(C(=O)NCCOc2ccccc2-c2ccccc2)ccc1F 72064358 VAQCECDUUKQCPV-UHFFFAOYSA-N 428.485 3.673 0 40 IHAB CS(=O)(=O)N1CCCC[C@@H]1c1nnc(C2CCN(Cc3cc4ccccc4o3)CC2)o1 72344923 FIJUTDNGSSMPOT-LJQANCHMSA-N 444.557 3.682 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(Cn3ccnc3-c3ccccc3)CC2)cc1C 90560562 CNYTVAMDTGVMDP-UHFFFAOYSA-N 425.554 3.968 0 40 IHAB COc1ccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c(C)c1 95929361 CDUQVQPFRWZPLR-HSZRJFAPSA-N 428.492 3.965 0 40 IHAB O=C(NCCN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O)c1cc(F)c(F)c(F)c1F 95947616 AHUDRLFNCKDKCR-NTUHNPAUSA-N 442.365 3.848 0 40 IHAB COc1ccc(NC(=O)C2=NO[C@]3(CCCN(C(=O)c4ccc(C)c(F)c4)C3)C2)cc1 96074371 GISXHIBVYYXOFG-HSZRJFAPSA-N 425.460 3.533 0 40 IHAB CC[C@H](C)n1ncc2c(C(=O)NCc3cc4c(cc3OC(F)F)OCO4)cc(C)nc21 97014167 LIHRSRRRJLQUKY-LBPRGKRZSA-N 432.427 3.971 0 40 IHAB Cn1/c(=N/C(=O)C(c2ccccc2)c2ccccc2)sc2cc(S(C)(=O)=O)ccc21 100859788 XAOYHTRKXBIBCO-VHXPQNKSSA-N 436.558 3.903 0 40 IHAB CS(=O)(=O)N(CC(=O)N(Cc1ccccc1)Cc1ccccc1)c1ccc(F)cc1F 220077509 KTPGJQBCNJIUJS-UHFFFAOYSA-N 444.503 3.960 0 40 IHAB COC(=O)c1cn(C(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)c2ccccc12 222627676 UGNBKDCOHZYKKZ-UHFFFAOYSA-N 448.928 3.968 0 40 IHAB CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CSCc1ccc(Br)cc1 222876064 XFDAEMQQAFZIPU-MRXNPFEDSA-N 449.414 3.888 0 40 IHAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc(C(=O)OC)c2)o1 223036215 FEJWAMYFZDWKKQ-SFTDATJTSA-N 437.521 3.747 0 40 IHAB CC(=O)Nc1cccc(NC(=O)CCCN(c2cccc(Cl)c2C)S(C)(=O)=O)c1 223268454 VTZGCCAKTBVOPJ-UHFFFAOYSA-N 437.949 3.792 0 40 IHAB COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccnc2)c1C 223715147 CESRKQSUYBLQHS-GOTSBHOMSA-N 449.580 3.810 0 40 IHAB Cc1ccc(C(=O)NCCOCc2ccccc2)cc1S(=O)(=O)N1CCCCCC1 224025051 CBJRUWGQAODKIH-UHFFFAOYSA-N 430.570 3.506 0 40 IHAB CCOC(=O)c1ccc(N(CC(=O)OC)S(=O)(=O)c2ccc3ccccc3c2)c(C)c1 225066343 IYTYFPGTVSYOGO-UHFFFAOYSA-N 441.505 3.693 0 40 IHAB COc1cc(N2CCOCC2)nc(NC(=S)NCC2(c3ccccc3)CCCCC2)n1 225982039 TUPOWDUYNGBTQI-UHFFFAOYSA-N 441.601 3.510 0 40 IHAB CC[C@H]1CCCCN1CCCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 260561399 DCTSBQAGWOIMPR-NRFANRHFSA-N 443.613 3.896 0 40 IHAB CC(C)Oc1ccc(N(CC(=O)N[C@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)cc1 260943069 SYAKPUZHBNFNSG-QGZVFWFLSA-N 430.570 3.606 0 40 IHAB O=C(COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)NC1CCCCCCC1 408584928 WRCNRHPEZBIXHB-UHFFFAOYSA-N 444.597 3.816 0 40 IHAB Cc1ccc(CNS(=O)(=O)c2ccc(O[C@H](C)C(=O)NC3CCCCC3)cc2)cc1 408592110 NWKCOHADAUTFKZ-GOSISDBHSA-N 430.570 3.690 0 40 IHAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc(Cl)c1OCc1ccc(C)cc1 408594612 UHWFGOSLWKPUFA-RQZCQDPDSA-N 444.871 3.603 0 40 IHAB COc1cc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCCC3)c2)c(OC)cc1Cl 408601374 GDOJLJLFWYXGGK-UHFFFAOYSA-N 438.933 3.702 0 40 IHAB CC(C)OC(=O)c1ccc(NC(=O)CSc2nnc(COc3ccccc3)o2)cc1 408621545 MQVMQEDVKLWMEC-UHFFFAOYSA-N 427.482 3.945 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(Cl)cc2)cc1 408669131 WQJWLLNNMZALGL-UHFFFAOYSA-N 446.887 3.807 0 40 IHAB CCOC(=O)C(Sc1nnc(COc2ccc(Cl)cc2Cl)o1)C(=O)OCC 408863034 KGHWETQZQOKWBQ-UHFFFAOYSA-N 435.285 3.542 0 40 IHAB C[C@H]1Oc2ccc(C(=O)C3CCN(C(=O)Cc4c[nH]c5ccc(F)cc45)CC3)cc2NC1=O 604323893 FRTSZQNDTHWNHZ-CQSZACIVSA-N 449.482 3.690 0 40 IHAB CC(=O)N1CCCCCCCN(C(=O)CCn2c(C)cc(C)nc2=O)Cc2ccccc21 643553385 QJKVOXOWYBHRDN-UHFFFAOYSA-N 438.572 3.596 0 40 IHAB CCC(=O)N1CC[C@H]2CCC[C@@H](CN(C(=O)CC[C@H]3CCCO3)Cc3ccccc31)N2C 643577286 GGFIOJDOWXFMNO-XPWALMASSA-N 441.616 3.974 0 40 IHAB O=C(CCc1c(-c2ccccc2)[nH]c2ccc(Br)cc12)NN1CCCNC1=O 1567187145 DGUOBPAEEPPYGB-UHFFFAOYSA-N 441.329 3.977 0 40 IHAB CCN1CCN(C(=O)c2cccc(N(C)C)c2)[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O 1848351834 VWBZFFFJBQPWKM-VWLOTQADSA-N 442.563 3.730 0 40 IHAB CC(C)c1nc2sc3c(c2c2nnc(SCC(=O)N4CCOCC4)n12)CC[C@H](C)C3 1376560 VDIBVVCFPOQBNI-ZDUSSCGKSA-N 445.614 3.538 0 40 IHAB O=C(COc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)N1CC[C@]2(O)CCCC[C@@H]2C1 2109682 IWUZQZGLZRNHSL-OYLFLEFRSA-N 445.943 3.858 0 40 IHAB biogenic Cc1ccc(-c2nn(CC(=O)N3CCN(c4ccccc4)CC3)c(=O)c3ccccc23)cc1 2226566 NQTCOQQGCARZEY-UHFFFAOYSA-N 438.531 3.721 0 40 IHAB CC(=O)c1cccc(NC(=O)CSc2nnc([C@H](C)N(C)C)n2Cc2ccccc2)c1 2625202 FEABXFDWPBAQMQ-INIZCTEOSA-N 437.569 3.882 0 40 IHAB COc1ccccc1CNS(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(C)c2)c1 3031694 SPJKPFFYPVQWBO-UHFFFAOYSA-N 428.485 3.874 0 40 IHAB Cc1ccc(S(=O)(=O)N(c2ccc(S(=O)(=O)N3CCCCC3)cc2)C(F)F)cc1 3230972 GARMAEBOXFGYTN-UHFFFAOYSA-N 444.525 3.588 0 40 IHAB Cc1ccc(NC(=O)CN(C)C(=O)CSc2nnc3c(Cl)cc(Cl)cn23)cc1 3404005 HHVZNNDSKDJJKG-UHFFFAOYSA-N 438.340 3.534 0 40 IHAB COC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(O)cc2)nc1C 3643256 WBICGZOLAKOTJL-KRWDZBQOSA-N 448.456 3.800 0 40 IHAB COc1ccc(N(C(=O)c2cc[nH]n2)[C@@H](C(=O)NC2CCCC2)c2cccc(OC)c2)cc1 6239875 BQJQTGLEFSXVMH-HSZRJFAPSA-N 448.523 3.874 0 40 IHAB Cc1ccc(-n2nc3c(c2NC(=O)c2ccccc2Br)C[S@@](=O)C3)cc1 6529466 UUULANPVGMGFLJ-SANMLTNESA-N 430.327 3.958 0 40 IHAB Cc1c(O[C@H](C)C(=O)NC2CC(C)(C)NC(C)(C)C2)ccc2c3c(c(=O)oc12)CCC3 6659144 PLBJLUVIAZBMHI-OAHLLOKOSA-N 426.557 3.783 0 40 IHAB CCN1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3N3CCCC3=O)cc2)CC1 8156484 WIHYCHZHTNOGOM-UHFFFAOYSA-N 426.948 3.861 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1NC(=O)Cc1cccs1 8685547 JJGPULKFZXUKJH-UHFFFAOYSA-N 432.523 3.747 0 40 IHAB Cc1cc(=O)c(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)nn1-c1ccc(Cl)cc1 8982685 DHPHWYISNOYFOX-IBGZPJMESA-N 440.931 3.744 0 40 IHAB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccc(Br)c2)N1C(C)=O 9034012 VXHCBMUTXVNYLG-AZUAARDMSA-N 427.298 3.966 0 40 IHAB biogenic Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCCc4sccc43)C2=O)c(C)n1Cc1ccco1 9129351 QMOMYSQRRPKUHC-HSZRJFAPSA-N 437.521 3.774 0 40 IHAB Cc1cc(O[C@@H](C)C(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)cc(C)c1Cl 9185035 DYWDXCOWNAZZHF-HOTGVXAUSA-N 425.934 3.533 0 40 IHAB COc1ccc(Cl)cc1NC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 9245562 MKUMWHMPZJIJKQ-SDNWHVSQSA-N 434.945 4.000 0 40 IHAB CCOC(=O)c1sc2ccccc2c1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 9320799 GRYJHWNORCGDKT-UHFFFAOYSA-N 448.541 3.728 0 40 IHAB Cc1ccc(NC(=O)COC(=O)c2ccccc2SCC(=O)N2CCCC2)c(F)c1 9351073 HPMCPGUGWLAYTO-UHFFFAOYSA-N 430.501 3.644 0 40 IHAB O=C(NC(=S)Nc1cccc(NC(=S)NC(=O)C2CCCCC2)n1)C1CCCCC1 9373630 DRYBZNDYDPVQSA-UHFFFAOYSA-N 447.630 3.868 0 40 IHAB COc1cccc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)C[S@@](=O)C3)c1OC 9413794 ULZYDYBFGBHKJU-GDLZYMKVSA-N 431.901 3.558 0 40 IHAB C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NCCC1=CCCCC1 9447965 RONAVVNVXVQDKC-FCORRRHLSA-N 441.597 3.546 0 40 IHAB CN(CC(=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1)S(=O)(=O)c1cccs1 9635052 CYDPZOKOSZBAFK-UHFFFAOYSA-N 433.580 3.620 0 40 IHAB C[C@@H]1CCc2ccccc2N1C(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O 9990415 ZQTSNEYNHCPXPY-QUGAMOGWSA-N 427.504 3.975 0 40 IHAB Cc1c(C)n2c3c(=O)n(C/C=C/c4ccccc4)c(=O)n(C)c3nc2n1-c1ccccc1F 10271900 XQMWBXXHYUOQGS-FMIVXFBMSA-N 443.482 3.608 0 40 IHAB O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 10693299 SBIRLPHORIIKDG-ZBQZNYHESA-N 445.412 3.840 0 40 IHAB Cc1ccc(C(=O)NCC(=O)OCC(=O)c2cc(C)n(Cc3ccc(F)cc3)c2C)cc1 11510137 NDLCNYXUFOHSPW-UHFFFAOYSA-N 436.483 3.757 0 40 IHAB Cc1cc(-c2cc(=O)n(CC(=O)NCC3CCCCC3)nc2-c2ccc(C)s2)on1 12156212 XTWRKAHVQRPLMI-UHFFFAOYSA-N 426.542 3.940 0 40 IHAB Cn1cc(Cl)c([C@H]2CCCCCN2S(=O)(=O)c2ccc(N3CCCC3=O)cc2)n1 12159698 MQFRMPVDSFHDDQ-GOSISDBHSA-N 436.965 3.506 0 40 IHAB C[C@H](Oc1ccc(F)cc1F)C(=O)N1CCC(c2nc3ccccc3cc2C(N)=O)CC1 12219662 OGNWJHBQNMKEMJ-AWEZNQCLSA-N 439.462 3.785 0 40 IHAB COCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1ccc(F)cc1 12389186 PMUNYAGZXDHALZ-UHFFFAOYSA-N 430.501 3.976 0 40 IHAB Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 12630412 CAZHCELYDATFIT-UHFFFAOYSA-N 436.599 3.942 0 40 IHAB COc1ccc(CN2CCC[C@@H](c3nn(CCNC(C)=O)c4ncccc34)C2)c(C)c1C 12671350 XOUGNCQKAJEJJE-OAQYLSRUSA-N 435.572 3.572 0 40 IHAB Cc1ccc(CCC2CCN(S(=O)(=O)c3c[nH]c(C(=O)N4CCCC4)c3)CC2)cc1 12772039 KNTDLKQAJJDWCZ-UHFFFAOYSA-N 429.586 3.593 0 40 IHAB COc1ccc(NC(C)=O)cc1NC(=O)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 12789937 KLZLWEYMTDZWFN-ZHZULCJRSA-N 444.451 3.537 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)C2(C(=O)Nc3cccc(C(=O)NC4CC4)c3)CCCC2)c1 12918012 DOXFNKYCWVYTRB-UHFFFAOYSA-N 440.565 3.921 0 40 IHAB COc1ccc(-c2noc([C@@H](C)NS(=O)(=O)c3ccc(Br)cc3)n2)cc1 13495064 TWZKHVKUJCFQSQ-LLVKDONJSA-N 438.303 3.547 0 40 IHAB CCC[C@@H](c1nnnn1CCOC)N(Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 13499340 ZXELKOGYXZRKMI-QFIPXVFZSA-N 438.576 3.755 0 40 IHAB Fc1ccccc1[C@@H](c1nnnn1Cc1ccccc1)N1CCN(c2ccccc2)CC1 13504689 PSIHTZTYTWSLNA-DEOSSOPVSA-N 428.515 3.772 0 40 IHAB CCCCC(=O)N1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C(C)(C)C)C4)CC1 13513522 VBYVODYOUGSUGY-INIZCTEOSA-N 444.645 3.970 0 40 IHAB O=C(COc1ccc2c(=O)c(-c3ccccc3)coc2c1)N[C@H](CO)Cc1ccccc1 13692353 OFJADOVMCOQXBB-FQEVSTJZSA-N 429.472 3.559 0 40 IHAB biogenic COc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2F)c(OC)c1 15395534 NAFUNHQLGKLZKG-UHFFFAOYSA-N 444.484 3.677 0 40 IHAB C[C@@H](c1ccccc1)N(C)C(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1 15595274 BJOHTAANYOELSJ-ZDUSSCGKSA-N 425.348 3.533 0 40 IHAB O=C(CSc1nc(=O)n(Cc2ccncc2)c2c1CCC2)Nc1ccc(Cl)cc1 15882772 YNTKYYFXFVAPHA-UHFFFAOYSA-N 426.929 3.560 0 40 IHAB COCCOC(=O)C1=C(N)Oc2c(c(=O)sc3ccccc23)[C@H]1c1ccccc1Cl 17143975 ICXFZTBRKGBKHK-MRXNPFEDSA-N 443.908 3.799 0 40 IHAB COc1ccc(OC)c([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)c1 18177049 BXPASGIBSLOURW-ZLNRFVROSA-N 430.460 3.755 0 40 IHAB CCOC(=O)/C=C/c1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)cc1 18239655 NSXZBDPFUQSVHN-PEKVBPLLSA-N 426.900 3.904 0 40 IHAB O=C(c1ccnc(Cl)c1)N1CCC(O)(Cn2ccc3nc(-c4ccncc4)ccc32)CC1 19341832 QEGFIISTXURBOM-UHFFFAOYSA-N 447.926 3.814 0 40 IHAB O=C1NCCN(C(=O)c2ccc3oc(O)nc3c2)C[C@H]1Cc1cccc(-c2ccccc2)c1 19374228 LHJQUVSPEKIGLV-OAQYLSRUSA-N 441.487 3.631 0 40 IHAB COc1ccccc1NC(=O)c1cnc([C@H]2CCCCN2C(=O)Cc2ccccn2)nc1C 19755661 RMNQUTJDSNVRFU-OAQYLSRUSA-N 445.523 3.737 0 40 IHAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 20048748 HLDMKABCULLESK-UHFFFAOYSA-N 435.505 3.867 0 40 IHAB Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)cc1 23043522 HKOATAPKYFIFGB-HNNXBMFYSA-N 444.582 3.510 0 40 IHAB O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1cccc(N2C(=O)CCC2=O)c1 23684333 CCGVJBAXSFVXPB-UHFFFAOYSA-N 442.497 3.875 0 40 IHAB O=C(NC1CCCCCC1)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 23866001 GHBYXRZWZRTUNK-JOCHJYFZSA-N 430.545 3.780 0 40 IHAB C[C@@H](NC(=O)CN1CCC(Cc2ccccc2)CC1)[C@@H](c1ccccc1)N1CCOCC1 24572646 QWEPIRRBZOQCGP-AMGIVPHBSA-N 435.612 3.519 0 40 IHAB Cc1ccc(NC(=O)CSCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 29482221 JXVOVPKDANAEKI-LJQANCHMSA-N 426.538 3.802 0 40 IHAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NCCn1c(C)nc2ccccc21 29769447 WBGDHGZKIUWRQY-UHFFFAOYSA-N 426.524 3.906 0 40 IHAB O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 30942313 SJZLVFSKRGLGTE-FPOVZHCZSA-N 439.531 3.585 0 40 IHAB CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)N(C)Cc1ccco1 31458267 LOYGOYQSSVVFKR-INIZCTEOSA-N 425.348 3.552 0 40 IHAB COc1cc2c(cc1OC)C(=O)[C@@H](Sc1nc3sc4c(c3c(=O)[nH]1)CCCC4)C2 31814417 TWDZNXLQYQHOPW-INIZCTEOSA-N 428.535 3.780 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(OCC(F)(F)F)cc1 31873277 GNEZTNIPCDQXPG-UHFFFAOYSA-N 428.432 3.665 0 40 IHAB CCCc1cc(=O)[nH]c(SCC(=O)N2N=C(c3ccco3)C[C@H]2c2cccs2)n1 32671871 BSRAFLRNSUUKDM-HNNXBMFYSA-N 428.539 3.847 0 40 IHAB Cc1cc(C)c(NC(=O)Cn2nc3ccc(Sc4cccc(F)c4)nn3c2=O)c(C)c1 33261782 VPQIXUBWZBCZEA-UHFFFAOYSA-N 437.500 3.745 0 40 IHAB CCc1ccccc1Sc1nccn2c(=O)n(CC(=O)Nc3cc(C)ccc3C)nc12 49009100 SPYPDRPSXRUQFJ-UHFFFAOYSA-N 433.537 3.860 0 40 IHAB O=C(Cn1ncn2nc(-c3cccc4ccccc34)cc2c1=O)N1CCCc2ccccc21 67208347 WLETXRBOHIUWIH-UHFFFAOYSA-N 435.487 3.691 0 40 IHAB Cc1ncc(-c2ccncc2)c(C2CCN(C(=O)C[C@H]3OC(=O)c4ccccc43)CC2)n1 72334745 IDDLTKMCWFCZGH-JOCHJYFZSA-N 428.492 3.855 0 40 IHAB CCn1cc(S(=O)(=O)N2CCC[C@@H]2c2cccc(Nc3cccc(C)n3)n2)c(C)n1 72375591 RLXRFOOFSLWTMI-GOSISDBHSA-N 426.546 3.579 0 40 IHAB CCOc1cc2c(cc1/C=C/C(=O)Nc1ccc3ccn(CC(=O)NC)c3c1)O[C@H](C)C2 84805184 GDRAINAUOOONGS-IQIBNGDESA-N 433.508 3.761 0 40 IHAB Cc1c(C(=O)OCc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)cnn1CC(C)C 95980912 RBEDJOJDASGIQI-UHFFFAOYSA-N 433.555 3.732 0 40 IHAB Cc1cc(=O)oc2cc(OCc3ccc(C(=O)N4CC[C@@H]5CCN(C)C[C@H]54)cc3)ccc12 95995833 PHHBXESXRAPPAS-WMZHIEFXSA-N 432.520 3.847 0 40 IHAB COc1ccc(Br)c(C(=O)NCCn2nc(C(F)(F)F)cc2C2CC2)c1 96103756 RGYJCBREFMYYSV-UHFFFAOYSA-N 432.240 3.980 0 40 IHAB COC(=O)Cn1/c(=N/C(=O)CCc2ccccc2)sc2cc(Br)ccc21 100876399 ZEJVIOWFXKYFPW-VZCXRCSSSA-N 433.327 3.698 0 40 IHAB COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 102862044 KJVGAKSWUZWNON-XPWALMASSA-N 430.460 3.755 0 40 IHAB C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)/N=c2/sc3ccccc3n2C)c1 104992319 JBFSBDFGSPNFFP-SKAIHHOBSA-N 429.567 3.544 0 40 IHAB Cn1c(=O)n(C)c2cc(C(=O)N[C@H]3CC(C)(C)Cc4c3cnn4Cc3ccccc3)ccc21 105867952 LYPUPGDXOWELKW-FQEVSTJZSA-N 443.551 3.565 0 40 IHAB COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4OC)C(=O)[C@@H]3ON2c2ccccc2)cc1 137894601 ARZHICNHPZMVIN-RJGXRXQPSA-N 430.460 3.755 0 40 IHAB COc1ccc(Cl)cc1N([C@H](C)C(=O)N(C)Cc1ccc(Cl)cc1)S(C)(=O)=O 216381396 GXOFYDQDZMOAGN-CYBMUJFWSA-N 445.368 3.815 0 40 IHAB COc1ccc(C)cc1N([C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1)S(C)(=O)=O 220338940 LXOUWVITASKJGK-ZDUSSCGKSA-N 430.448 3.816 0 40 IHAB CC[C@H](C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)N(c1cccc(OC)c1)S(C)(=O)=O 220629517 RSUDWXSYDFXNNH-WOJBJXKFSA-N 446.569 3.658 0 40 IHAB COc1ccc(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NCC(C)C)cc1OC 222882604 ZSRHRZUKEXHNJR-KRWDZBQOSA-N 430.520 3.575 0 40 IHAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223251634 IFLMNFLJAIGOAS-KSFYIVLOSA-N 430.570 3.606 0 40 IHAB CCCc1ccc(OCCNC(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 223892823 VKSXFCNKBVXMQF-IBGZPJMESA-N 432.586 3.606 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccc(F)cc3)cc2)cc1OC 223991657 ZYTUJHGOOHORNB-UHFFFAOYSA-N 444.484 3.574 0 40 IHAB CCc1cccc(CC)c1N(CCCC(=O)NCCc1ccc(F)cc1)S(C)(=O)=O 224827453 BQUDDTBBESNQMU-UHFFFAOYSA-N 434.577 3.856 0 40 IHAB CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1NC(C)=O 224925151 IUVAVPXZJRIDLF-UHFFFAOYSA-N 447.582 3.794 0 40 IHAB CC(=O)N1CCc2nc3cc([C@@H]4CCCCN4C[C@@H](C)c4ccccc4)nn3c(O)c2C1 247923299 HSVQOCLFQBBCCN-HXOBKFHXSA-N 433.556 3.670 0 40 IHAB CCNC(=O)C1(Cc2ccc(-c3ccncc3)cc2)CCN(C(=O)c2ccncc2)CC1 257210581 BVGDIIWFYFKMIN-UHFFFAOYSA-N 428.536 3.745 0 40 IHAB COCCc1nnc(NC(=O)C2(Cc3ccc(-c4cccnc4)cc3)CCOCC2)s1 257294873 QWAWGGREBBCHCJ-UHFFFAOYSA-N 438.553 3.767 0 40 IHAB Cc1cc(C)cc(C2(C(=O)N3CCOC[C@@H](Cc4ccc5nccn5n4)C3)CCCC2)c1 257302237 SCBMIZYVUGVVDU-NRFANRHFSA-N 432.568 3.876 0 40 IHAB COc1cccc(C(=O)N2CCO[C@@H](c3cc(Nc4nc(C)cc(C)n4)cc(C)n3)C2)c1 257333711 YCSNIBDRGICPAA-JOCHJYFZSA-N 433.512 3.763 0 40 IHAB COc1ccc(C)cc1NC(=O)COc1ccc(S(=O)(=O)N2CCCCCC2)cc1 408625257 RQLWUWDRUGYBIH-UHFFFAOYSA-N 432.542 3.586 0 40 IHAB Cn1c(=O)n(C)c2cc(/C=C(\Sc3nc(-c4ccc(Cl)cc4)n[nH]3)C(=O)O)ccc21 408633251 JKNWBHLIXPCARA-YBEGLDIGSA-N 441.900 3.533 0 40 IHAB Cc1cc(C)c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)c(C)c1 409140498 FBEAAMCOCZOZBM-IBGZPJMESA-N 438.524 3.934 0 40 IHAB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc[nH]3)C2=O)ccc1Cl 409353510 MHXZCODTDMOTMP-OQLLNIDSSA-N 433.873 3.520 0 40 IHAB Cc1cc(S(=O)(=O)N2CCC[C@@]3(CCCN(c4ncccn4)C3)C2)c(C)cc1Cl 2056224413 PUKZLRSJLWSSKW-OAQYLSRUSA-N 434.993 3.818 0 40 IHAB CN(CCO)c1ccc2c3c(cccc13)C(=O)N(c1ccc(Br)cc1)C2=O 832210 IGFNZSQZTLTVRH-UHFFFAOYSA-N 425.282 3.831 0 40 IHAB CCCc1cc(=O)oc2cc(OCC(=O)N[C@@H](Cc3ccc(Cl)cc3)C(=O)O)ccc12 2125285 YYXQOCDJYCJZFJ-IBGZPJMESA-N 443.883 3.590 0 40 IHAB biogenic CCOC(=O)C1=NN(c2ccccc2)C2=NC(C)=C(C(=O)OC)[C@H](c3ccc(C)cc3)N12 2181278 NIFUNNWDNTYYMG-FQEVSTJZSA-N 432.480 3.552 0 40 IHAB O=C(CSc1nnc(-c2cccnc2)n1Cc1ccco1)Nc1ccc(F)cc1F 2387764 TVRFTEPTKZSCNT-UHFFFAOYSA-N 427.436 3.990 0 40 IHAB Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)Nc2cccc(N(C)C)c2)cc1 3192382 ALYDNBNMNDMZIL-DEOSSOPVSA-N 449.576 3.815 0 40 IHAB Cc1cccc(O[C@@H](C)C(=O)NCCN2C(=O)S/C(=C\c3ccccc3F)C2=O)c1 3524279 UZPXUCOYYGFUAQ-CCNLRRDASA-N 428.485 3.754 0 40 IHAB CC(C)Cc1ccc([C@@H](N[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C(C)C)cc1 7875367 LWANCOHYPRCAPK-VGSWGCGISA-N 431.602 3.846 0 40 IHAB CCN(CC(=O)Nc1ccccc1OC)CC(=O)N1CC[C@H](C)Sc2ccccc21 7906395 KLQYEZZSFXVNOO-KRWDZBQOSA-N 427.570 3.873 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1F)c1ccccc1F 8810704 PNXNZBDOPNTNMU-UHFFFAOYSA-N 446.431 3.789 0 40 IHAB CCCN1C(=O)C(C)(C)COc2cc(NS(=O)(=O)c3ccc(OC)c(OC)c3)ccc21 9167426 QFVHIPJWMZYIAT-UHFFFAOYSA-N 448.541 3.666 0 40 IHAB C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CC=C(c3ccccc3)CC2)C1=O 9550375 CRJQIHIWQBTMHB-HHHXNRCGSA-N 439.515 3.923 0 40 IHAB COc1cc(/C=C2\C(=O)N(CN3CCOCC3)c3cc(Cl)ccc32)cc(OC)c1OC 9576200 YZFBCJJPFDQPJR-ZDLGFXPLSA-N 444.915 3.543 0 40 IHAB CCCN(Cc1nnc(-c2cccs2)o1)C(=O)COc1ccc(-c2nnco2)cc1 9647650 HRVHPLADNPNEHO-UHFFFAOYSA-N 425.470 3.666 0 40 IHAB Cc1cc(NC(=O)c2ccccc2F)n(-c2ncnc3c2cnn3-c2ccc(F)cc2)n1 9661199 IDZHQYWSUZWLSS-UHFFFAOYSA-N 431.406 3.840 0 40 IHAB COc1ccc(NC(=O)COC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)cc1OC 9665441 ALKGGYSFBJXAIV-UHFFFAOYSA-N 438.436 3.653 0 40 IHAB O=C(CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)N[C@H]1CCSc2ccc(F)cc21 9666260 NUWKOMMJRJDKCI-SFHVURJKSA-N 449.511 3.534 0 40 IHAB O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)NC(=O)Nc1ccccc1F 9669469 CGHLJHKEASPSCX-UHFFFAOYSA-N 425.489 3.783 0 40 IHAB O=C(NCCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2)c1ccc(Cl)cc1 9712552 POLKYWZBNWCNBL-IBGZPJMESA-N 428.916 3.985 0 40 IHAB Cn1c(Cc2cccs2)nnc1SCc1cc(=O)n2cc(Br)ccc2n1 9883324 DVYGOESKFOAZFV-UHFFFAOYSA-N 448.371 3.530 0 40 IHAB COc1ccc(Br)cc1C(=O)NC(=S)Nc1ccc(Br)cn1 10035081 HAOQJKRAXMWWNH-UHFFFAOYSA-N 445.136 3.742 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCC3(N(C)C)CCCCC3)cc2)cc1 10092698 WOYFLCQFXHBUAO-UHFFFAOYSA-N 443.613 3.814 0 40 IHAB O=S(=O)(NCCNc1ccc(Nc2cccnc2)nn1)c1ccc(-c2ccccc2)cc1 11796882 HDEYPMXIEMBYSP-UHFFFAOYSA-N 446.536 3.673 0 40 IHAB Cc1cc(C)cc(NC(=O)CSc2nnc(CN3C[C@H](c4ccccc4)CC3=O)n2C)c1 12445735 JGSOEXPEKWNXQT-LJQANCHMSA-N 449.580 3.679 0 40 IHAB Cc1cc(-n2c(C)cc(C(=O)CSc3nnc(NC[C@@H]4CCCO4)s3)c2C)no1 12582720 MJUVFFSNQPHIIL-AWEZNQCLSA-N 433.559 3.808 0 40 IHAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)Nc1ccc(OCc2ccccc2)cc1 13722646 MSNSULUKWKWGKF-UHFFFAOYSA-N 441.487 3.939 0 40 IHAB O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccc(-n2cccn2)cc1 14093570 VNBGYSIJXFIWCA-UHFFFAOYSA-N 430.917 3.563 0 40 IHAB CCn1c2ccccc2c2cc(NC(=O)c3ccc(OC)c(S(=O)(=O)NC)c3)ccc21 15602896 JEOISGRPNMBWCP-UHFFFAOYSA-N 437.521 3.983 0 40 IHAB O=C(COc1ccccc1)Nc1ccc(OCc2cc(=O)n3cc(Cl)ccc3n2)cc1 15865557 XKZXXQYUFKOOJY-UHFFFAOYSA-N 435.867 3.944 0 40 IHAB COc1ccccc1N1C(=O)[C@@H]2[C@H]3c4ccccc4C=CN3[C@H](C(=O)C(C)(C)C)[C@@H]2C1=O 16038836 TVGKUGGUPLPVIQ-CBPXPLCBSA-N 430.504 3.826 0 40 IHAB CC(C)OCCCN1CC(=O)N2[C@@H](c3ccccc3)c3[nH]c4ccccc4c3C[C@@H]2C1=O 16042574 AXJBIEODLJXQSU-RDGATRHJSA-N 431.536 3.668 0 40 IHAB biogenic CN1C(=O)[C@@](O)(CC(=O)c2ccc(Br)cc2)c2cc(Br)ccc21 17083432 LIUVSHULXJMSLP-QGZVFWFLSA-N 439.103 3.649 0 40 IHAB COc1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1S(=O)(=O)Nc1ccc(C)cc1 17304279 FIIIAPKCIHNKGA-UHFFFAOYSA-N 436.493 3.933 0 40 IHAB O=C(OCCOc1ccc(Cl)cc1)c1ccccc1S[C@H]1CCS(=O)(=O)C1 19471314 CHZAWFABQPKYEP-INIZCTEOSA-N 426.943 3.855 0 40 IHAB CCc1cc(C(F)(F)F)c2c([C@H]3CCCN(C(=O)CCCn4cncn4)C3)noc2n1 19521950 ACUVBAPAXCKVPL-ZDUSSCGKSA-N 436.438 3.582 0 40 IHAB CCN1CCN(C(=O)c2ccc(OC)nc2)C[C@@H](Cc2ccccc2-c2ccccc2)C1=O 19527652 AHGCRPNYRKTTON-HSZRJFAPSA-N 443.547 3.920 0 40 IHAB O=C(NC1CCCCC1)c1c(N2C(=O)[C@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C2=O)sc2c1CCCCC2 19636910 SPZBOZXUDXQQSR-JSJNYSNDSA-N 442.581 3.746 0 40 IHAB CNc1cc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(CN(C)C(=O)CC2CCCC2)n1 19697404 RRNPXCSLBARJNE-QGZVFWFLSA-N 439.535 3.717 0 40 IHAB Cc1nc([C@H]2CCCN(CC(=O)Nc3ccc(F)cc3)C2)ncc1C(=O)Nc1ccccc1 19753267 NSXXXUXPWBAZBB-SFHVURJKSA-N 447.514 3.995 0 40 IHAB CCn1c(SCC(=O)c2cccs2)nnc1-c1nnn(Cc2ccc(C)cc2)c1N 19897443 PUMWNKYOKMUUHI-UHFFFAOYSA-N 439.570 3.532 0 40 IHAB COc1ccc([C@H]2CC(=O)c3cnc(N4CCN(Cc5ccccc5)CC4)nc3C2)cc1 19899881 INKFNGXPLFWEDG-OAQYLSRUSA-N 428.536 3.720 0 40 IHAB Cc1ccc(CCCNC(=O)C2CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2)cc1 19933066 PRDKVEUHOHMTQE-UHFFFAOYSA-N 449.016 3.939 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cc(F)ccc3C)cc2)cc1 20020400 KOEFRZIWMDMGQR-UHFFFAOYSA-N 444.484 3.961 0 40 IHAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(F)cc2)cc1C(=O)N1CCC(C)CC1 20046740 UADAXQZJVKJRIG-MRXNPFEDSA-N 434.533 3.746 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1C 20061609 KHZTUEAKGVFVQO-UHFFFAOYSA-N 444.553 3.989 0 40 IHAB COc1ccccc1CN(C)S(=O)(=O)c1ccc(OC)c(C(=O)N2CCCCCC2)c1 20495683 NTMFVTMDMYHEFG-UHFFFAOYSA-N 446.569 3.541 0 40 IHAB CS(=O)(=O)N1CCc2cc(C(=O)OCCOc3c(Cl)cccc3Cl)ccc21 21490092 SFCKGNFYFRFANY-UHFFFAOYSA-N 430.309 3.551 0 40 IHAB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)NCCCc1ccc(F)cc1 22308692 ZAVRGMFHWLWKIE-UHFFFAOYSA-N 444.503 3.909 0 40 IHAB O=C(c1nn(-c2ccccc2C(F)(F)F)cc1O)N1CCN(Cc2ccccc2)CC1 23408812 TVSRITZZWVJZCI-UHFFFAOYSA-N 430.430 3.555 0 40 IHAB Cc1ccc(S(=O)(=O)NCCNC(=O)/C=C/c2ccc(Cl)c(C(F)(F)F)c2)cc1 24979324 VZPPTIZWLRYTSU-WEVVVXLNSA-N 446.878 3.775 0 40 IHAB Cc1c(Br)c(C(F)(F)F)nn1[C@@H](C)C(=O)Nc1ccc2c(c1)OCCO2 27936232 OQOJBNQXQWGVFG-VIFPVBQESA-N 434.212 3.944 0 40 IHAB COCCC(=O)NC[C@@H]1C=C(C)[C@H](CC(=O)NCc2ccc(OC)cc2)C[C@H]1C(C)C 30880619 XBLDBFASICYBSZ-FUDKSRODSA-N 430.589 3.709 0 40 IHAB biogenic,in-vitro COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(Br)ccc3O)C2=O)o1 33751277 VJDDXLFENKEEFH-VGOFMYFVSA-N 438.255 3.771 0 40 IHAB COc1ccc(NC(=O)CSc2nnc(NC(=O)c3c(F)cccc3F)s2)cc1 35316123 GJJOAIRJABEMBO-UHFFFAOYSA-N 436.465 3.808 0 40 IHAB CCCCn1c(=O)c2sccc2n2c(CCC(=O)NC[C@H](C)c3ccccc3)nnc12 35528753 UTFIMJIELKZCLB-INIZCTEOSA-N 437.569 3.758 0 40 IHAB COc1ccc(Br)c(C(=O)Nc2ccc(CC(=O)NCC(F)(F)F)cc2)c1 44035890 DIUQBTXXSVOWSE-UHFFFAOYSA-N 445.235 3.931 0 40 IHAB Cc1ccc(C)c(N2CCN(C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@@H](O)[C@@H]43)CC2)c1 49662094 LSGWJALQGUMIRM-IUHGBDCNSA-N 438.612 3.710 0 40 IHAB biogenic CCOC(=O)CN(CC(C)C)C(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 58147723 PIMJVEBXAOWIBI-UHFFFAOYSA-N 430.505 3.796 0 40 IHAB COc1ccc(NC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(F)cc2)cc1 58209068 KKPPRMZCBQPQIH-JOCHJYFZSA-N 440.496 3.589 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3n2C)cc1 58313915 LRRFFCKKGFKDBE-OAQYLSRUSA-N 440.569 3.581 0 40 IHAB CN(CC(=O)Nc1cccc(CSc2ccccn2)c1)S(=O)(=O)c1ccc(F)cc1 62580952 WOTSKVOWOKYMBJ-UHFFFAOYSA-N 445.541 3.772 0 40 IHAB CC(C)NC(=O)N1CCCCC[C@@H]1C1CCN(CCS(=O)(=O)c2ccccc2)CC1 69843078 SOVIZBPPYCGRHU-JOCHJYFZSA-N 435.634 3.535 0 40 IHAB O=C(CC(c1ccccc1)c1ccccc1)N1CCN(C(=O)c2cnn3ccccc23)CC1 77101275 CITBCCROVXGJKU-UHFFFAOYSA-N 438.531 3.841 0 40 IHAB COCCN(CCOC)c1ccc(C)cc1C(=O)N1C[C@H](C)O[C@@H](c2ccccc2)C1 78822332 UJLIRIJNXPWUOV-GBXCKJPGSA-N 426.557 3.696 0 40 IHAB CC1CCN(c2ccc(=O)n(CC(=O)NCCC(c3ccccc3)c3ccccc3)n2)CC1 79486939 BILAKZNEZMFRIO-UHFFFAOYSA-N 444.579 3.818 0 40 IHAB COC(=O)[C@@H]1Oc2cc(C)oc(=O)c2[C@H]1c1ccc(OCc2ccccc2F)c(OC)c1 85413719 ZXSALKBICOOSPM-IFMALSPDSA-N 440.423 3.741 0 40 IHAB CC(C)(C)OC(=O)N1CCc2ccccc2[C@H]1C(=O)Nc1cnn(C[C@H]2CCCO2)c1 89662332 BLBCPFQBRMRXIS-QUCCMNQESA-N 426.517 3.535 0 40 IHAB CCCOc1cc(/C=C2/N=C(c3cc(OC)c(OC)c(OC)c3)OC2=O)ccc1OC 89960275 AKOGKCSRTNXPNY-MHWRWJLKSA-N 427.453 3.854 0 40 IHAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCc1nn(C2CCCC2)c(=O)c2ccccc12 90504328 QTGDSTBAZZUGQN-UHFFFAOYSA-N 445.498 3.981 0 40 IHAB CN1CCC(CCNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)CC1 96236470 GKLNAQTTZZTQPD-UHFFFAOYSA-N 435.977 3.603 0 40 IHAB O=C(NCc1ccccc1)N1CCC[C@H]1c1nnn2cc(NCc3cccnc3)ccc12 96267949 TXURHCOUUUCUSQ-NRFANRHFSA-N 427.512 3.783 0 40 IHAB CS(=O)(=O)C(Br)(Br)[C@H](O)c1ccc(-c2ccccc2)cc1 96520808 RHTGCJGJFWGVSB-CQSZACIVSA-N 434.149 3.875 0 40 IHAB CC(=O)[C@@H](C(=O)c1ccccc1)C(NC(=O)c1cccnc1)(C(F)(F)F)C(F)(F)F 100230005 DFPUEKSLYMPTEK-AWEZNQCLSA-N 432.320 3.763 0 40 IHAB COc1ccc(-c2nc([C@H]3CC[C@H](CNC(=O)[C@@H]4CC45CCC5)CC3)[nH]c2C(N)=O)cc1 100687891 ZYPCCSSRKTXFAP-WDYCEAGBSA-N 436.556 3.764 0 40 IHAB Cc1nn(Cc2ccc(Br)cc2)c(C)c1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 101075477 GMEWGLAWBFPYDJ-LAQRGFTBSA-N 426.314 3.622 0 40 IHAB O=C(N[C@@H]1CCCc2ccccc21)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 216303263 XFPGFCBSRBPSCG-XMMPIXPASA-N 440.609 3.855 0 40 IHAB CCc1ccc(N([C@@H](C)C(=O)Nc2ccccc2Br)S(C)(=O)=O)cc1 220264717 HMGIPTRKFUDXAF-ZDUSSCGKSA-N 425.348 3.805 0 40 IHAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccccc1Br 223515828 GTIGJHJUWDLIST-QGZVFWFLSA-N 441.347 3.641 0 40 IHAB COc1ccc(OCCNC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1 223930834 XCBQZDLDUHEGIF-UHFFFAOYSA-N 440.521 3.613 0 40 IHAB CCOc1ccc(C(=O)NCCC(C)C)cc1CN(c1ccc(F)cc1)S(C)(=O)=O 224806339 HPDKWMBYEQJIPT-UHFFFAOYSA-N 436.549 3.967 0 40 IHAB COCCOc1ccc(NC(=O)C2(C)COC(c3cccc(C(F)(F)F)c3)OC2)cn1 225920709 DGACNLQSMKUVCJ-UHFFFAOYSA-N 440.418 3.816 0 40 IHAB Cc1ccccc1OCCC(=O)N1CCO[C@@H](c2cccc(Nc3cc(C)n(C)n3)n2)C1 257221551 DPOCWPRPVUTRJR-OAQYLSRUSA-N 435.528 3.545 0 40 IHAB Cc1nc2cc(C(=O)N3CCNC(=O)[C@@H]3Cc3ccccc3-c3ccccc3)ccc2n1C 257344113 ZVUCCARPABHFCL-VWLOTQADSA-N 438.531 3.732 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](C)c3ccc(F)cc3)C2)cc1C 260575696 JLKULNPEHQPYBX-MJGOQNOKSA-N 448.560 3.811 0 40 IHAB Cc1nnc(S/C(=C\c2cc(Br)cc(Br)c2O)C(=O)O)o1 408633457 YQVORSGIVQNLGN-OQFOIZHKSA-N 436.081 3.826 0 40 IHAB Cc1ccc(N2C[C@@H](C(=O)Oc3ccc(N4C(=O)CCC4=O)c(C)c3)CC2=O)cc1Cl 408639853 HIEXGAYKIFPDPI-HNNXBMFYSA-N 440.883 3.569 0 40 IHAB COc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2ccc(NC(C)=O)cc2)cc1 408644535 GLSXAPQECSDIMG-UHFFFAOYSA-N 446.459 3.680 0 40 IHAB Cc1ccc(N2C[C@@H](C(=O)Oc3ccc(N4C(=O)CCCC4=O)c(C)c3)CC2=O)cc1C 408649929 AOWSWQRJXQDCCB-SFHVURJKSA-N 434.492 3.614 0 40 IHAB CCc1cccc(CC)c1N1C[C@@H](C(=O)OCC(=O)Nc2cccc(C(C)=O)c2)CC1=O 408659778 NBDYTXFMPYVERR-FQEVSTJZSA-N 436.508 3.549 0 40 IHAB Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(Br)c(C)c3)CC2=O)cc1 409148276 YCJVMNMAYZFOQC-OAHLLOKOSA-N 445.313 3.601 0 40 IHAB CCCN1CCN(C(=O)c2cnc[nH]2)C[C@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 585183655 ZSHXNAHOKYQINC-FQEVSTJZSA-N 434.515 3.769 0 40 IHAB CCOc1ccccc1NC(=O)c1c(C(=O)Nc2ccccc2)sc2nc(C)cc(=O)n12 1907080 NAACOABJIGLVLA-UHFFFAOYSA-N 448.504 3.968 0 40 IHAB CCOc1ccc2nc(N[C@@](NC(=O)CC(C)C)(C(=O)OC)C(F)(F)F)sc2c1 2050516 NDTWSNGUYGCVNQ-KRWDZBQOSA-N 433.452 3.701 0 40 IHAB Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccccc3Cl)C2=O)c(C)n1C[C@H]1CCCO1 2664750 WYTJSPIERIQBCY-WAIKUNEKSA-N 443.931 3.587 0 40 IHAB COc1cc(C(=O)OCC(=O)c2cc(C)n(C[C@@H]3CCCO3)c2C)ccc1OC(F)F 3295665 SQZFRDUGFPVJFI-INIZCTEOSA-N 437.439 3.934 0 40 IHAB CN1C(=O)c2ccc(NC(=S)NC(=O)c3ccc(OCc4ccccc4)cc3)cc2C1=O 6287843 XLEZNFMBOKURJG-UHFFFAOYSA-N 445.500 3.618 0 40 IHAB Cc1nc2cc(NC(=O)C3CCN(S(=O)(=O)/C=C/c4ccccc4)CC3)ccc2o1 8965653 BOKNCOGYJQWVMF-SDNWHVSQSA-N 425.510 3.787 0 40 IHAB COc1ccc2c(c1OC)C(=O)O[C@H]2N1C(=O)CC[C@H]1C(=O)Nc1ccc(C(C)C)cc1 9034028 HFUCERTYCQLSKU-GAJHUEQPSA-N 438.480 3.626 0 40 IHAB biogenic Cc1ccc(NC(=O)Cc2nnc(SCC(=O)N3CCCc4ccccc43)n2C)cc1C 9302442 MOLIVLHCKKGLAV-UHFFFAOYSA-N 449.580 3.685 0 40 IHAB CN(CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)Cc1ccc2c(c1)OCO2 9414480 XCJRSKRZHSFKJC-UHFFFAOYSA-N 435.455 3.877 0 40 IHAB Nc1c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc2n1-c1ccc2c(c1)OCO2 9562203 RWGRMCGXPCGKAH-UHFFFAOYSA-N 444.472 3.717 0 40 IHAB CCOc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1 9594700 VQVHPRDDXJLNMK-UHFFFAOYSA-N 444.443 3.681 0 40 IHAB COc1ccc(-n2ccnc2S[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 9644446 CWWUEXVJQXUAMU-KRWDZBQOSA-N 438.553 3.837 0 40 IHAB Cc1csc2nc(CSc3nnc(-c4ccc(Cl)cc4Cl)n3N)cc(=O)n12 9671288 BQYRCPLILQALDY-UHFFFAOYSA-N 439.353 3.636 0 40 IHAB CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1[C@H](C)NC(=O)c1cccc(C)c1 9833530 JUEFNARAPQFMJI-HNNXBMFYSA-N 441.532 3.967 0 40 IHAB COC(=O)c1ccc(-c2csc(NC(=O)CCS(=O)(=O)Cc3ccccc3)n2)cc1 10620578 JJRMEDCXZFLKOX-UHFFFAOYSA-N 444.534 3.540 0 40 IHAB CCOCc1ccc(C(=O)N[C@H](C)c2nc3cc(-c4ccc(OC)cc4)ncn3n2)cc1 12085131 AOQVMZGRDCMUBK-MRXNPFEDSA-N 431.496 3.827 0 40 IHAB Nc1cc2ccccc2nc1[C@H]1CCCN(C(=O)CCS(=O)(=O)c2ccc(F)cc2)C1 12088054 IJOBAUKFPGTFDU-KRWDZBQOSA-N 441.528 3.526 0 40 IHAB Cn1ccnc1[C@H](NC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3)c1ccccc1 12507273 GJZYUAVSUCYYLN-HSZRJFAPSA-N 441.535 3.766 0 40 IHAB Cn1c(=O)c2ccccc2n2c(=S)n(CN(Cc3ccccc3)CC(F)(F)F)nc12 12521788 KOIMBNFKTVWNOE-UHFFFAOYSA-N 433.459 3.739 0 40 IHAB Cc1cccc(-c2n[nH]c(=S)n2CC(=O)N2CCN(c3ccccc3Cl)CC2)c1 12562378 JXPVSDZTCOWLNX-UHFFFAOYSA-N 427.961 3.918 0 40 IHAB O=C(Nc1ccc(Br)cc1F)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 12757969 RXZMVDOTLYTOSD-LLVKDONJSA-N 447.351 3.689 0 40 IHAB CCOC(=O)c1ccc(NC(=O)/C(=C/c2ccco2)n2nnnc2-c2ccccc2)cc1 12759775 PVDLRSCIVWWGOG-HKWRFOASSA-N 429.436 3.747 0 40 IHAB CC(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3[C@@H](C)CCC[C@H]3C)cc2)c1 12798348 TZDRAJWMDHQOCU-IYBDPMFKSA-N 429.542 3.849 0 40 IHAB CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cc1ccc(F)cc1 12818008 CMQWVDHSUUQJJZ-UHFFFAOYSA-N 434.533 3.969 0 40 IHAB Cc1nc(COc2ccc(C(=O)N[C@H](C)c3ccc(S(C)(=O)=O)cc3)cc2)cs1 12884744 NCCUKGQSLBWHKF-CQSZACIVSA-N 430.551 3.925 0 40 IHAB COCCn1c(S[C@H](C(=O)N2CCCCC2)c2ccccc2)nc2ccccc2c1=O 12925491 NMGJACXEEHUNIR-NRFANRHFSA-N 437.565 3.889 0 40 IHAB C[C@H](NCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc2ccccc2c1 12995984 HUGGWOZMRPIHLO-IBGZPJMESA-N 431.536 3.564 0 40 IHAB CCOc1ccc([C@H](c2nnnn2C(C)(C)C)N2CCN(c3ccc(F)cc3)CC2)cc1 13503996 PNZNKFPDALSJQZ-JOCHJYFZSA-N 438.551 3.878 0 40 IHAB CC(C)CCN(C(=O)CNC(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1ccccc1 13506807 GQWWTUMWLVFSBF-HSZRJFAPSA-N 439.556 3.684 0 40 IHAB COc1ccccc1CN1C(SCc2ccc(Cl)cc2)=N[C@@H]2CS(=O)(=O)C[C@H]21 13692806 RNQZCBGGSRTSPC-QZTJIDSGSA-N 436.986 3.619 0 40 IHAB Cn1c(CCCNC(=O)[C@H]2CCCO2)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 13720527 UAOIYONPJAWXED-HXUWFJFHSA-N 440.931 3.707 0 40 IHAB Cc1nc2ncnn2c(C)c1CCC(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1Cl 16107439 WWFKHCHALDNMML-LJQANCHMSA-N 443.935 3.526 0 40 IHAB CC(=O)Nc1cccc(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccccc2)c1 16321539 BRGYCGCMZBGAHZ-UHFFFAOYSA-N 429.542 3.607 0 40 IHAB C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccc2c(c1)CCCC2 18212456 YNHFZHXGGRGLQK-KRWDZBQOSA-N 444.572 3.983 0 40 IHAB Cn1c(CCN2CCN(c3ccccn3)CC2)nc2cc(NC(=O)C3CCCCC3)ccc21 19154449 QHQMORXAHPBULT-UHFFFAOYSA-N 446.599 3.852 0 40 IHAB Cc1cccc(CC(=O)N2CCC[C@H](c3nn(C)cc3-c3ccnc(N4CCCC4)n3)C2)c1 19234675 BHTNNSXVDPMLIQ-NRFANRHFSA-N 444.583 3.734 0 40 IHAB COc1cc(OC)c(C2=NO[C@@H](C(=O)N3CCCCC[C@@H]3c3cnn(C)c3)C2)cc1Cl 19290591 FNNJAEYVLCZFBN-WIYYLYMNSA-N 446.935 3.728 0 40 IHAB CC(C)c1nc(C[C@@H](NC(=O)c2cnc(C(C)(C)C)nc2)c2ccc(F)cc2)cc(=O)[nH]1 19453534 YCLCXJWVXWFDBP-LJQANCHMSA-N 437.519 3.834 0 40 IHAB CCN(CC)C(=O)c1cnc(C)nc1-c1ccc(CNC(=O)c2sc(C)nc2C)cc1 19526287 YOOZZZXULMRGCV-UHFFFAOYSA-N 437.569 3.937 0 40 IHAB CCOC(=O)C1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCN(C(=O)c2ccco2)CC1 19530168 LXFDQPSHLCFSJF-GOSISDBHSA-N 428.460 3.788 0 40 IHAB Cc1n[nH]cc1C(=O)N1CC[C@@](Cc2ccccc2-c2cccnc2)(C(=O)NCC(C)C)C1 19582290 XCZKNXWPGXBJGI-SANMLTNESA-N 445.567 3.627 0 40 IHAB COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cc(F)ccc3C)cc2)c1 20021049 RNIZCXYTGKGIOO-UHFFFAOYSA-N 444.484 3.961 0 40 IHAB COc1cccc(Cn2nccc2NC(=O)CCc2nc(-c3ccccc3)no2)c1OC 21677898 FKTHPQWGFHQFLS-UHFFFAOYSA-N 433.468 3.570 0 40 IHAB Cc1cc(NC(=O)c2ccccc2S(C)(=O)=O)n(-c2nc3c(F)cccc3s2)n1 21685437 UGIXZDVXMJZZOK-UHFFFAOYSA-N 430.486 3.585 0 40 IHAB COc1cc(CNCCCSc2nnnn2C)ccc1OCc1ccccc1Cl 22109143 WXGKCNNBCGGRBX-UHFFFAOYSA-N 433.965 3.723 0 40 IHAB O=C(c1cn(-c2ccccc2)nc1-c1cccs1)N1CCN(Cc2ccncc2)CC1 22186599 TUHJWVDTIJAGMW-UHFFFAOYSA-N 429.549 3.954 0 40 IHAB CCN(c1cc(OC)c(OC)cc1C(=O)Nc1ccc(C)c(Cl)c1)S(C)(=O)=O 22251955 QXNWCGYGMXKLKD-UHFFFAOYSA-N 426.922 3.704 0 40 IHAB CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)OCc2ccc(-c3ccccc3)cc2)cc1 22760843 YUKVIBFAHXSLHH-UHFFFAOYSA-N 437.517 3.920 0 40 IHAB O=C(Cn1cnc2c(cnn2-c2cccc(C(F)(F)F)c2)c1=O)Nc1ccc(Cl)cc1 25056970 LFGPPASMXJMIBL-UHFFFAOYSA-N 447.804 3.893 0 40 IHAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)NCCc2c[nH]c3ccccc23)c(C)c1 28274391 JROGZAGYIHPXRN-JOCHJYFZSA-N 439.581 3.605 0 40 IHAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 30581987 NBZYCDFHIQTRSJ-FQEVSTJZSA-N 443.532 3.951 0 40 IHAB Cc1ccc(-c2noc([C@@H](C)N3CCN(Cn4nc5ccccn5c4=S)CC3)n2)cc1 31784195 QTYGPYBRWHRIIL-QGZVFWFLSA-N 435.557 3.560 0 40 IHAB Cc1cc(-c2cc(C(=O)NCC(=O)NCc3ccccc3)c3c(C)noc3n2)c(C)s1 32583736 VIZGZJVVCPMHIS-UHFFFAOYSA-N 434.521 3.923 0 40 IHAB CCn1cc(-c2nnc(SCC(=O)Nc3ccc(Br)cc3)n2CC)cn1 32604073 KQMFONACTNRJHD-UHFFFAOYSA-N 435.351 3.675 0 40 IHAB COc1ccc(NC(=O)Cn2c(=O)nc(-c3cccs3)c3nc(C)sc32)c(OC)c1 32615835 CDLUOOJZDNBGJN-UHFFFAOYSA-N 442.522 3.546 0 40 IHAB Cc1cccc(N2C[C@H](C(=O)Nc3ccc(-n4cncn4)cc3C(F)(F)F)CC2=O)c1C 32936676 UQFIMASRWFZWFX-OAHLLOKOSA-N 443.429 3.895 0 40 IHAB COC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCCS3 32954484 CRXMXGHOKCOJDS-UHFFFAOYSA-N 434.564 3.759 0 40 IHAB CC[C@@H](C)NC(=O)CCn1c(=O)c2ccccc2n2c(SCc3cccc(C)c3)nnc12 33292041 HPPOYIBHVHLFHU-QGZVFWFLSA-N 449.580 3.950 0 40 IHAB COC(=O)c1ccc(OC[C@@H](O)CN2CCC[C@H](c3nc4ccccc4s3)C2)cc1 37207213 UEKVKIUUCNQONB-ROUUACIJSA-N 426.538 3.702 0 40 IHAB CCOc1cc(C(=O)Nc2c3c(nn2C(C)(C)C)C[S@](=O)C3)cc(OCC)c1OCC 38141173 LGROEEKDMGPWFX-HKBQPEDESA-N 449.573 3.849 0 40 IHAB O=C(NCc1cccc(CN2CCOCC2)c1)c1cc2ccc(Br)cc2[nH]1 40146824 YJQLASSTXQSLIC-UHFFFAOYSA-N 428.330 3.693 0 40 IHAB COc1ccc(N(CCC(=O)NCc2ccco2)S(=O)(=O)c2cccc(Cl)c2)cc1 40159818 QKQTZQRLNKIDJP-UHFFFAOYSA-N 448.928 3.843 0 40 IHAB COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1OC 59132934 BRXNXEUDQYUORD-UHFFFAOYSA-N 440.521 3.994 0 40 IHAB O=C(CSCc1ccc(Br)cc1)Nc1ccc(C(=O)N2CCOCC2)cc1 59472955 NCGXJMQOVYDKRR-UHFFFAOYSA-N 449.370 3.793 0 40 IHAB O=C(c1ccco1)N1CCN(c2c(C(=O)N3CCCCC3)cnc3ccc(F)cc23)CC1 67288185 IAFOGUBQONNLNW-UHFFFAOYSA-N 436.487 3.555 0 40 IHAB CCCCc1noc(CN2CCC([C@H]3CCCCCN3C(=O)C3CCOCC3)CC2)n1 69952256 DUHABXKPSVQSOG-OAQYLSRUSA-N 432.609 3.822 0 40 IHAB Cc1ccc(CCC(=O)N2CCC3(CC2)C[C@@]2(CO3)NC(=O)c3cc(Cl)ccc3N2)o1 72325525 HFNVXWASPLMHEK-QHCPKHFHSA-N 443.931 3.507 0 40 IHAB CCN1CCN(C(=O)c2ccc(N(C)C)cc2)[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O 72351886 WYFPZRMZMHTNOJ-VWLOTQADSA-N 442.563 3.730 0 40 IHAB CCCc1cc(C(=O)N2CCNC(=O)[C@@H]2Cc2ccc(-c3cccc(F)c3F)cc2)no1 72351929 DYSHIGPMGLSIGQ-NRFANRHFSA-N 439.462 3.756 0 40 IHAB COc1ccccc1CNC(=O)CSc1nc2ccccc2c2nc(-c3ccco3)nn12 89473738 KCUKWWVOYTWFCA-UHFFFAOYSA-N 445.504 3.955 0 40 IHAB Cc1ccccc1-c1ccc(N2CCC[C@H](C(=O)Nc3cc(N4CCCC4)ncn3)C2)nn1 90592324 WSGBUEPZEWAROT-IBGZPJMESA-N 443.555 3.697 0 40 IHAB COc1ccccc1CN1C(=O)N[C@@H](CC(=O)Nc2cccc3c2ccn3CC(C)C)C1=O 96221483 UWFHLNYCNQPJHY-FQEVSTJZSA-N 448.523 3.755 0 40 IHAB biogenic CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)/C=C\c1ccccc1Cl 97986344 SBXCVPYXSBAKKT-KTKRTIGZSA-N 427.888 3.656 0 40 IHAB COc1ccc(C(=O)COc2ccccc2N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1 100838226 KZYGSDRQJMDQRQ-AWNJFOCLSA-N 429.472 3.514 0 40 IHAB COc1ccc(OC)c([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)c1 101081718 VQCOQBCTHBUVPH-ZRBLBEILSA-N 448.450 3.894 0 40 IHAB Cc1ccc(C(=O)COC(=O)CCCCCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1C 102076372 KIVITEINDQYDED-KHODRUNXSA-N 449.547 3.643 0 40 IHAB CC[C@H](NC(=O)[C@@H](C)N(c1cc(OC)ccc1OC)S(C)(=O)=O)c1ccc(C)cc1C 220223683 OSGYPHKMBWTTNP-XLIONFOSSA-N 448.585 3.743 0 40 IHAB COC(=O)c1ccc(NC(=O)[C@@H](C)N(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 220428794 BEAHHMPJNCPQAT-LLVKDONJSA-N 445.324 3.573 0 40 IHAB CSc1cccc(N(CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)S(C)(=O)=O)c1 222984138 OSWLOMJIAOQDLA-INIZCTEOSA-N 432.611 3.931 0 40 IHAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1ccc(OC)cc1 223945685 XVJCQECXMHOHEB-HSZRJFAPSA-N 442.556 3.806 0 40 IHAB COc1ccc([C@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc2)cc1 223985437 VJDLSVUTSUOLMN-INIZCTEOSA-N 440.521 3.996 0 40 IHAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-n1cnnc1 224392558 BYQUPWOEYJIYPW-RTWAWAEBSA-N 433.516 3.719 0 40 IHAB COc1cccc(NS(=O)(=O)c2ccc(NS(=O)(=O)Cc3ccccc3C)cc2)c1 224546839 HZEJMKIKILMLMC-UHFFFAOYSA-N 446.550 3.746 0 40 IHAB COc1ccc(C(=O)NC2CCCCC2)cc1CN(C)S(=O)(=O)c1ccc(C)cc1 224776893 NDWUEQXCSVPFFC-UHFFFAOYSA-N 430.570 3.887 0 40 IHAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1C 224910197 BUPWNMNUWIINOP-JOCHJYFZSA-N 426.557 3.962 0 40 IHAB COc1cc(N(CCCC(=O)NCC2CCCCC2)S(C)(=O)=O)c(OC)cc1Cl 224917832 IWFVIBKWEMKCKI-UHFFFAOYSA-N 446.997 3.600 0 40 IHAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(OC)cc1 224935253 PXNDTZNBXOAXNC-HSZRJFAPSA-N 426.557 3.826 0 40 IHAB CCCC[C@@H](CC)CNS(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1 225120922 GOKXXMFWFXSSDL-GFCCVEGCSA-N 430.983 3.939 0 40 IHAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)COc1ccc(OC)cc1 225642497 DRAWMHNXSRTYLE-HTAPYJJXSA-N 430.520 3.935 0 40 IHAB C[C@H]1CCCN(c2cc(Cl)nc(NC(=S)NCc3ccc4c(c3)OCCO4)n2)C1 226016070 ZBCDYOSNEBGBTM-ZDUSSCGKSA-N 433.965 3.624 0 40 IHAB O=S(=O)(Cc1ccc(C(F)(F)F)cc1)NC[C@@](O)(c1ccoc1)c1cccs1 244986033 JCTKMQCTUIFPFI-QGZVFWFLSA-N 431.457 3.715 0 40 IHAB CCCN1CCN(C(=O)c2cc(C(C)C)n[nH]2)[C@H](Cc2cccc(-c3ccncc3)c2)C1=O 257211093 BXMCAOXOAFCNJF-XMMPIXPASA-N 445.567 3.901 0 40 IHAB COc1cc2c(cc1CN1CCC(c3cncc(Nc4ccccn4)n3)CC1)OCCO2 257241083 HWNHDPVRHFANJZ-UHFFFAOYSA-N 433.512 3.775 0 40 IHAB CN(C)C(=O)c1sc2nccnc2c1[C@H]1CCN(C(=O)c2ccc3ccccc3n2)C1 257242436 ICLYRPPKRDFUOK-HNNXBMFYSA-N 431.521 3.571 0 40 IHAB COc1ccc(N([C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)S(C)(=O)=O)cc1 260826497 BUPOCIQIJSHTKO-DLBZAZTESA-N 430.570 3.606 0 40 IHAB COCCN1CC[C@]2(CN(Cc3ccc(Cl)cc3)C[C@@H]2c2cn(C(C)C)cn2)C1=O 306125216 CJQSKGUPFAVBAU-NFBKMPQASA-N 430.980 3.582 0 40 IHAB CC(=O)Nc1cccc(NS(=O)(=O)c2ccc(NC(=O)N3CCCCCC3)cc2)c1 408584470 QCYZJOOYCKLOOC-UHFFFAOYSA-N 430.530 3.854 0 40 IHAB CCCCOC(=O)c1ccc(N2C[C@H](C(=O)O[C@H](C)C(=O)c3ccccc3)CC2=O)cc1 408637397 JURIAPLSGKXWSX-YLJYHZDGSA-N 437.492 3.811 0 40 IHAB CC(C)COC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccccc2)cc1 408663355 HZJCDKKODUAPOD-UHFFFAOYSA-N 440.496 3.790 0 40 IHAB Cc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(Br)cc2C)cc1 408663875 PFSWFRQNKSADPI-UHFFFAOYSA-N 433.302 3.967 0 40 IHAB COc1ccc(NC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H]([C@@H]6C[C@@H]56)[C@H]4C3=O)cc2)c(OC)c1 408671860 LSGKDENPCUJSMB-HAGYDGCBSA-N 444.487 3.514 0 40 IHAB O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NCCc1ccccc1 409025097 LKKWUMOYWRVJDL-UHFFFAOYSA-N 428.941 3.894 0 40 IHAB COCCCNC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1-c1ccc(C)c(C)c1 409209800 JCDRUSFYDXXTMM-UHFFFAOYSA-N 445.610 3.926 0 40 IHAB COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)c(OC)c1 409359455 OKPLHVUTCNNHNU-VXLYETTFSA-N 426.494 3.996 0 40 IHAB Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N1CCN(c2ncc[nH]2)CC1 551912653 PSXMOWYAKBFWDF-UHFFFAOYSA-N 429.933 3.648 0 40 IHAB Cc1cc(C)cc(C2(C(=O)N3CCOC[C@H](Cc4cccc5[nH]ncc45)C3)CCOCC2)c1 585262068 KSVPWFVZHYZMMI-OAQYLSRUSA-N 447.579 3.946 0 40 IHAB COc1ccc2c(=O)c(C(=O)N3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@H]56)[C@@H]43)c[nH]c2c1 604404507 CVCGWCIVYITPEF-XZUXRINTSA-N 433.552 3.572 0 40 IHAB biogenic CCC(=O)N1CCCN(C)CCCN(C(=O)c2cc(CC)on2)Cc2cc(F)c(F)cc21 643581565 VCSFFVXHMYIBMA-UHFFFAOYSA-N 448.514 3.626 0 40 IHAB O=C1CN2CCN(C(=O)c3ccccc3)C[C@H]2COc2ccc(-c3ccccc3)cc2N1 1772594501 GOLTYDLDAUPBGS-QFIPXVFZSA-N 427.504 3.511 0 40 IHAB CCn1c(SCC(=O)Nc2cc(OC)cc(OC)c2)nnc1-c1ccccc1OC 2450788 APRZXXKKYSTHDX-UHFFFAOYSA-N 428.514 3.722 0 40 IHAB COc1ccc(-c2nnc(SCC(=O)NCC(C)C)n2-c2ccc(OC)cc2)cc1 3293283 RTNMBHSPACMQDR-UHFFFAOYSA-N 426.542 3.816 0 40 IHAB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)Nc1ccc(Cl)c(Cl)c1 3420576 PTPGKPHBJKMNPK-UHFFFAOYSA-N 437.327 3.851 0 40 IHAB CCOc1ccccc1NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC[C@H]2C)c1 3472582 AUFJXSARSHCURA-MRXNPFEDSA-N 432.542 3.909 0 40 IHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1 3478812 VIXWRXAZPRHVGT-UHFFFAOYSA-N 438.505 3.925 0 40 IHAB COCCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccc(Cl)c(Cl)c1 3640222 XOKTVGGSISHFEP-MRXNPFEDSA-N 429.325 3.833 0 40 IHAB CC[C@H](N[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(C)cc1 8128380 SUCWGUJNNSZYQC-GCJKJVERSA-N 429.586 3.847 0 40 IHAB CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC[C@@H]1COc2ccccc2O1 8882952 MIFMNKAIWHBPKQ-AUUYWEPGSA-N 437.323 3.704 0 40 IHAB CC(C)(C)c1cc(NC(=O)COC(=O)c2ccc3c(c2)OCCO3)n(-c2ccccc2)n1 9284296 QBDMGILMIIUXNC-UHFFFAOYSA-N 435.480 3.737 0 40 IHAB Cc1ccc2c(c1)[C@@H]1CC(c3ccccc3Cl)=NN1C1(CCN(S(C)(=O)=O)CC1)O2 9359802 CEINMDKSSZGRPD-FQEVSTJZSA-N 445.972 3.944 0 40 IHAB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(N(C)C)cc2)cc1 9379133 VKNMCTVIXFVZPP-UHFFFAOYSA-N 439.537 3.839 0 40 IHAB O=C(CSc1nnc(NC(=O)CSCc2ccccc2)s1)Nc1nccs1 9391084 LFQNPXDCORNFGB-UHFFFAOYSA-N 437.597 3.597 0 40 IHAB O=C(CSc1nnnn1-c1cccc(Cl)c1)NCC1(N2CCCCC2)CCCCC1 9477950 RWDKIGZVTRKPPC-UHFFFAOYSA-N 449.024 3.713 0 40 IHAB C[C@H](Sc1ncc(-c2ccccc2)nn1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 9667831 SUDNQBPIMRYPNX-LBPRGKRZSA-N 439.566 3.697 0 40 IHAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CCC(=O)NCc2ccncc2)cc1 9749599 CJMYGSWANUQFBW-DEOSSOPVSA-N 442.519 3.865 0 40 IHAB COc1ccc(C(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1S(=O)(=O)N(C)C 9765667 YRFKHSGYRKYSEO-HSZRJFAPSA-N 438.549 3.773 0 40 IHAB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(OCCOc3ccccc3)cc2)C1=O 9833767 PHDTUIUDDNZDBT-XMHGGMMESA-N 427.478 3.744 0 40 IHAB COc1ccc(C(=O)COC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(OC)c1 9882275 XPXHMSRBXRFYGJ-UHFFFAOYSA-N 445.899 3.636 0 40 IHAB CN(Cc1ccc2c(c1)OCCO2)C(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1 9951152 DPTKLOUMKWFJPQ-UHFFFAOYSA-N 436.493 3.740 0 40 IHAB Cc1cc(I)ccc1NC(=O)CNc1ccc(NC(=O)C2CC2)cc1 10941888 YZVCYXIPYOSFLW-UHFFFAOYSA-N 449.292 3.999 0 40 IHAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(C3OC(C)(C)C(C)(C)O3)c2)cc1 12402048 GKNUBRFAIROIOD-UHFFFAOYSA-N 432.542 3.792 0 40 IHAB COc1ccc(Cl)cc1[C@@H](OC(=O)Cn1cnc2ccccc2c1=O)C(F)(F)F 12854541 VJXFPLPVARGGRC-QGZVFWFLSA-N 426.778 3.905 0 40 IHAB C[C@@H](NC(=O)CSc1nnc(NCc2ccc(F)cc2)s1)c1ccc2c(c1)OCO2 13164329 QXZFWCRMQQTOCS-GFCCVEGCSA-N 446.529 3.988 0 40 IHAB O=C(NCc1ccco1)c1cnn2c1N[C@H](c1ccc3c(c1)OCO3)C[C@@H]2C(F)(F)F 13387874 KIYSQZRIOAZPBL-WMLDXEAASA-N 434.374 3.795 0 40 IHAB COc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1S(=O)(=O)NCCc1ccccc1 13581751 NEZUSPYCOYRKLW-SFHVURJKSA-N 438.549 3.707 0 40 IHAB Cc1cc(C)n2c(SCC(=O)N[C@@H](c3ccc4c(c3)OCCCO4)C(C)C)nnc2n1 14167611 NZJFVXUOZCGSDG-HXUWFJFHSA-N 441.557 3.508 0 40 IHAB O=C(Nc1ccnn1Cc1cccc(Cl)c1)c1ccc(S(=O)(=O)C(F)F)cc1 14168973 TXMOCISVUQBHGE-UHFFFAOYSA-N 425.844 3.833 0 40 IHAB C[C@@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2c(Cl)cccc2Cl)o1 16006941 KJIZYRGTUUBWIE-SECBINFHSA-N 436.317 3.936 0 40 IHAB O=C(CN1CCN(C(=O)c2ccc(Cl)cc2F)CC1)Nc1ccccc1C(F)(F)F 16491921 GRBKVROCLNSWEW-UHFFFAOYSA-N 443.828 3.894 0 40 IHAB COC(=O)Cn1c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)nc2ccccc2c1=O 18592669 SXDBYIYZWAXEBY-ZDUSSCGKSA-N 445.928 3.651 0 40 IHAB COc1cccc(CN2CC[C@](Cc3ccc(-c4cccnc4)cc3)(C(N)=O)C2)c1OC 19567575 KZJCTXBWXCXYSW-AREMUKBSSA-N 431.536 3.686 0 40 IHAB Cn1cc2c(n1)[C@H](C(=O)NCCc1ccc(F)cc1)CN(Cc1cccc3cccnc13)C2 19701240 SVHSEEHVCOTWEK-HSZRJFAPSA-N 443.526 3.566 0 40 IHAB O=C(NCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 19868180 AXJKXOPHTIKWFV-UHFFFAOYSA-N 441.380 3.852 0 40 IHAB COc1ccc(S(=O)(=O)NCc2ccc(-n3ccnc3C)cc2)c(Cl)c1Cl 20106325 UCLSGOIMGJAIDN-UHFFFAOYSA-N 426.325 3.975 0 40 IHAB CCc1nc2sc([C@H](c3ccc(C(F)(F)F)cc3)N3CCN(CC)CC3)c(O)n2n1 22854460 AZALQOOSAKRADW-INIZCTEOSA-N 439.507 3.805 0 40 IHAB COc1ccc(-c2noc(-c3cccn(CC(=O)Nc4cccc(C)c4)c3=O)n2)cc1OC 23125864 QJNFIXNUFZSONS-UHFFFAOYSA-N 446.463 3.530 0 40 IHAB O=C1C(=O)N(CN2CCCC[C@@H]2c2nc3ccccc3s2)C(=O)N1Cc1ccccc1 23856102 ZZWVZQYOXOENSQ-GOSISDBHSA-N 434.521 3.772 0 40 IHAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)Nc3ccc(OC(C)C)cc3)CC2)c1 24612210 UUEHHBYRNRJBBB-UHFFFAOYSA-N 430.570 3.963 0 40 IHAB O=C1/C(=C/c2ccc(-n3cncn3)c(F)c2)NC(=S)N1c1ccc(OC(F)(F)F)cc1 24771948 GBZGKFYKHFLSHE-NVNXTCNLSA-N 449.389 3.567 0 40 IHAB Cc1cccc(-n2c(-c3ccccc3)cnc2SCC(=O)N2CCC[C@@H](C(N)=O)C2)c1C 27993145 DDCIXNFPPDLZIR-HXUWFJFHSA-N 448.592 3.972 0 40 IHAB CCN(CC)[C@H](CNC(=O)c1sc2ncn(C)c(=O)c2c1C)c1ccccc1Cl 32317001 PTJALCDDFDOLHX-MRXNPFEDSA-N 432.977 3.770 0 40 IHAB COC(=O)c1ccc(NC(=O)c2sc3ncn(Cc4ccccc4)c(=O)c3c2C)cc1 35672190 DWBHYUOFCRAROY-UHFFFAOYSA-N 433.489 3.854 0 40 IHAB O=C(COc1ccc(Cl)cc1Cl)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 38725764 OZOJOQYQQPPVJS-ZWKOTPCHSA-N 433.335 3.847 0 40 IHAB COc1ccccc1-c1c2c(=O)n(Cc3ccccc3S)ccc2nc2nc(C)nn12 40398454 PPWPQBQQRJNJHV-UHFFFAOYSA-N 429.505 3.760 0 40 IHAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OC 44838969 NNPKYBMEKXVIFT-FQEVSTJZSA-N 446.569 3.893 0 40 IHAB C[C@H](NC(=O)C1CCN(Cc2ccccc2Cl)CC1)c1ccc(S(C)(=O)=O)cc1 44857121 UMHWRRVISCBMQF-INIZCTEOSA-N 434.989 3.833 0 40 IHAB CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)NCc1ccc(-n2ccnc2)c(F)c1 48311396 IGCPLNSOYJXKHZ-FQEVSTJZSA-N 428.895 3.736 0 40 IHAB C[C@H](Oc1ccc(C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)cn1)c1ccccc1 65538129 OAMPNPUDBVEKFK-IBGZPJMESA-N 445.519 3.875 0 40 IHAB CCOC(=O)C1=C(CN2CCc3ccccc3C2)NC(=O)N[C@@H]1c1cccc(Cl)c1 67205068 ZLJZZZMCDWNSHI-OAQYLSRUSA-N 425.916 3.569 0 40 IHAB Cc1cc2nc(SCC(=O)NC3CCC(C)CC3)n(-c3ccc(F)cc3)c(=O)c2[nH]1 67239414 NSVZUAPCQWGIQE-UHFFFAOYSA-N 428.533 3.948 0 40 IHAB CCOC(=O)c1cc2cc(NC(=O)NC[C@H]([C@H]3CCOC3)N3CCCC3)ccc2s1 69951178 WRWOQKVVLPKIGZ-MAUKXSAKSA-N 431.558 3.700 0 40 IHAB COc1ccc([C@@H](C)NC(=O)c2cn(-c3ccc(-c4nc(C5CC5)no4)cn3)cn2)cc1 71768306 ZRWWABDMZQJEKC-CQSZACIVSA-N 430.468 3.694 0 40 IHAB O=C(Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)NCc1nnc2ccccn12 72271723 OYRVUYSFSDPBLE-UHFFFAOYSA-N 446.898 3.628 0 40 IHAB CCN(CC)[C@@H](C(=O)NC[C@H]1CN(CC(C)C)CCO1)c1cccc(C(F)(F)F)c1 72284274 KZISERCOKVKXSR-VQTJNVASSA-N 429.527 3.561 0 40 IHAB CCCc1cc(C(=O)N[C@H](Cn2nc(-c3ccc(F)c(F)c3)ccc2=O)C(C)C)no1 72389536 YVUIORPEFLMMGN-HXUWFJFHSA-N 430.455 3.584 0 40 IHAB Cc1cc(=O)c(O)c(CN2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)n1C 79479469 HCHJLTDUJRGAGV-DEOSSOPVSA-N 437.971 3.960 0 40 IHAB CC(C)n1cnc([C@H]2CN(C(=O)c3ccccc3)c3ccc(C(=O)NCC4CC4)cc32)n1 96156528 FPKDPAGESHNHNY-NRFANRHFSA-N 429.524 3.791 0 40 IHAB CC(=O)Nc1sc2c(c1[C@@H](c1ccccc1Cl)N1CCN(CCO)CC1)CCCC2 96300454 RPYVUYHYRPFSGD-JOCHJYFZSA-N 448.032 3.938 0 40 IHAB CCOC(=S)SCC(=O)N1CCc2ccccc2[C@@H]1C1C(=O)CC(C)(C)CC1=O 101028675 UWHUITWCFHXLCH-HXUWFJFHSA-N 433.595 3.741 0 40 IHAB CC(=O)c1ccc(OC(=O)c2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@H]6C[C@H]56)[C@@H]4C3=O)cc2)cc1 101231843 USQQQIOFMAIXEB-GNWGRXFHSA-N 427.456 3.666 0 40 IHAB COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)c1OC 102713213 PXSJQVJGJHFENU-MQSCRBSSSA-N 430.460 3.755 0 40 IHAB C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1)c1ccc(F)cc1 113971532 OJSRHPAPIRLMLH-YJBOKZPZSA-N 438.952 3.898 0 40 IHAB N[C@H]1CC[C@@H](Nc2ncc3c(-c4ccnc(NCc5cccc(Cl)c5)n4)n[nH]c3n2)CC1 149003020 CSRNFXRSWDAIIP-WKILWMFISA-N 449.950 3.757 0 40 IHAB Cc1ccc([Sn](Cl)(c2ccc(C)cc2)c2ccc(C)cc2)cc1 196101882 XZQXAXLXLVGYRH-UHFFFAOYSA-M 427.563 3.818 0 40 IHAB COC(=O)c1cn(C(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c2ccccc12 222598254 DUPYLVSPZMARSL-UHFFFAOYSA-N 440.521 3.599 0 40 IHAB CCOc1ccc(N(CCCC(=O)NCCCc2ccc(F)cc2)S(C)(=O)=O)cc1 222622140 LCUCJQZXBIWORS-UHFFFAOYSA-N 436.549 3.520 0 40 IHAB C[C@@H]1Cc2cc(Br)cc3c(=O)c(C(=O)Nc4ccc5c(c4)OCCO5)cn1c23 223106058 IBEMJSDOQJVGEA-LLVKDONJSA-N 441.281 3.905 0 40 IHAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(OC)cc1 223665517 QWJNFEUEMBAJQV-JOCHJYFZSA-N 426.557 3.968 0 40 IHAB CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)COc1ccc(OC)cc1 223675002 MOVRIEHXDRPPPR-QFIPXVFZSA-N 426.557 3.839 0 40 IHAB CCN(c1ccc(C(=O)Nc2nnc(-c3ccc(C)cc3)s2)cc1)S(=O)(=O)CC 225515006 HQWAKUHLZCFNNC-UHFFFAOYSA-N 430.555 3.942 0 40 IHAB C[C@H]1C[C@H](C)CN(c2cc(N3CCOCC3)nc(NC(=S)NC3CCCCCC3)n2)C1 226010163 VEUNNLQPCUJBAR-ROUUACIJSA-N 446.665 3.805 0 40 IHAB O=C(O)CC[C@@H](c1ccccc1)N1CCN(C(=O)c2cccc(Br)c2)CC1 408605714 GNGDCDXEBBPVIC-IBGZPJMESA-N 431.330 3.813 0 40 IHAB Cc1cc(NC(=O)COC(=O)c2ccccc2C(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)no1 408665992 NAUDPJYONUHYNP-RIFZZMRRSA-N 442.512 4.396 0 40 IHAB COc1ccc(OC)c(NC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5C=C(C)[C@@H](C5)[C@H]4C3=O)c2)c1 408667529 BIIFOIORBFXGDT-HOWVWPRWSA-N 432.476 3.658 0 40 IHAB COCCN1C(=O)S/C(=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)C1=O 409145071 PEFLYRPBKKCPHR-CPNJWEJPSA-N 426.494 3.695 0 40 IHAB CCn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1c(C)cccc1C 409327589 LATXDMCJYLZAFB-UHFFFAOYSA-N 441.532 3.715 0 40 IHAB COc1ccccc1[C@H]1CC(c2ccc(NS(C)(=O)=O)cc2)=NN1C(=O)c1ccco1 645084 ISGWVSLASIOMKT-LJQANCHMSA-N 439.493 3.651 0 40 IHAB CCOc1cc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SCCC(=O)N32)ccc1OC(C)=O 796094 JVDWLYDRTZWTLM-FQEVSTJZSA-N 446.525 3.612 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)c1c(Cl)cccc1Cl 815572 BOOVWMVWRSNDEJ-CYBMUJFWSA-N 429.325 3.703 0 40 IHAB CCOC(=O)c1c(NC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)sc2c1CCC2 846897 XABFRMNAXBHABZ-GOSISDBHSA-N 440.521 3.673 0 40 IHAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cc2cc(C)c(Cl)cc2[nH]c1=O 876543 ORAMEDURNCIWAB-UHFFFAOYSA-N 444.915 3.851 0 40 IHAB C[C@@H](Sc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3)C(=O)O 2398554 QFIBGTBUTSLTIB-LLVKDONJSA-N 430.555 3.520 0 40 IHAB CCOC(=O)c1cc(-c2nnc(SCC(=O)Nc3ccc(F)cc3)o2)c(C)nc1C 3258204 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COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)/C=C/c4ccco4)cc3)CC2)cc1 9427055 QWXCOJJGVCKPPM-OUKQBFOZSA-N 431.492 3.903 0 40 IHAB COc1cc2c(cc1OC)CN(C(=O)c1ccc(F)cc1)[C@H](C(=O)NCc1ccccc1)C2 9482370 CSVHRYILDFIYJK-QFIPXVFZSA-N 448.494 3.726 0 40 IHAB Cc1ccccc1-n1cnnc1SCC(=O)Nc1cc(Cl)ccc1-n1cncn1 9546832 HKZUTWFDAPLZSZ-UHFFFAOYSA-N 425.905 3.541 0 40 IHAB Cc1cccc(-c2nc3scc(CCNC(=O)/C=C/c4ccc5c(c4)OCO5)n3n2)c1 9569029 PKNIUZPHEZTVNN-SOFGYWHQSA-N 432.505 3.867 0 40 IHAB O=C(CSc1ncccc1C(=O)NCc1ccccc1F)Nc1ccc2c(c1)OCO2 9665905 GYNYBXDNJLMEJH-UHFFFAOYSA-N 439.468 3.610 0 40 IHAB COc1cc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccc(C)o2)c(OC)cc1Cl 9908209 KSESHACFWQOPBY-SFHVURJKSA-N 429.864 3.778 0 40 IHAB COc1ccc2cc(CNC(=O)CNC(=O)c3ccccc3Br)ccc2c1 9936437 PWOYJQHBFUWLRV-UHFFFAOYSA-N 427.298 3.657 0 40 IHAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)c2c(C)noc2C)cc1 9982143 ROIDQIMPQVWWRH-NRFANRHFSA-N 433.464 3.835 0 40 IHAB O=C(COC(=O)c1cccnc1)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 10000819 ZEIVNFRISDSMLJ-UHFFFAOYSA-N 449.532 3.747 0 40 IHAB CC(=O)Nc1ccc(OCC(=O)N2CCC[C@H](c3nc4ccccc4cc3N)C2)cc1C 12088066 AZDVKXAYQVXZJY-IBGZPJMESA-N 432.524 3.869 0 40 IHAB Cc1cc(CN2CCc3nc(-c4ccccn4)nc(O)c3C2)c(C)n1Cc1cccnc1 12089517 NJBBOPSQTZAGMK-UHFFFAOYSA-N 426.524 3.664 0 40 IHAB C[C@@H](Cc1cccs1)C(=O)N1CCC[C@H]([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)C1 12181997 QMHFJRKTVBBYAK-DARAHFNDSA-N 427.496 3.745 0 40 IHAB CC(C)(C)OC(=O)N1CCN([C@@H](C(=O)O)c2c[nH]c3cc(Br)ccc23)CC1 12409761 GSJHWSKIPKYSOE-MRXNPFEDSA-N 438.322 3.609 0 40 IHAB CCOc1ccc([C@H](C)NC(=O)CNC(=O)c2cccc(Br)c2)cc1OCC 12752725 HTMVDEQBCOVMTJ-AWEZNQCLSA-N 449.345 3.854 0 40 IHAB CC(C)=C[C@H]1[C@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)C1(C)C 12789313 KVFYAAIJOIIKDG-FUHWJXTLSA-N 444.519 3.777 0 40 IHAB COc1ccc([C@@H]2CCCN2CC(=O)N2CCN([C@@H](C)c3ccccc3)CC2)c(OC)c1 12796481 AYGFGNSZNSXOQQ-RDPSFJRHSA-N 437.584 3.746 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4cc(Cl)ccc4nc3C)CC2)cc1 12853402 FJHURPBOBMFMBN-UHFFFAOYSA-N 443.956 3.652 0 40 IHAB Cc1cc(C)c(NC(=O)CN2C(=O)C(C)(C)Oc3ccc(C(=O)NC(C)C)cc32)c(C)c1 12875873 IFEUBIKJWIWCQK-UHFFFAOYSA-N 437.540 3.893 0 40 IHAB Cc1ccc2[nH]c(=O)c(CN(C[C@H]3COCCO3)C(=O)Nc3ccccc3Cl)cc2c1 13512932 LEIQDDOALQMSHS-SFHVURJKSA-N 441.915 3.939 0 40 IHAB COc1cccc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4C)[nH]c(=O)c32)c1OC 13567347 STCMUHXZEUVFIQ-INIZCTEOSA-N 437.521 3.862 0 40 IHAB COc1ccc(N(CC(=O)NCc2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 13668952 UUDGFXYHIJMZFN-UHFFFAOYSA-N 438.549 3.824 0 40 IHAB O=C(/C=C/c1ccc(S(=O)(=O)N2CCCCCC2)cc1)Nc1ccc2c(c1)OCCO2 14095624 VLRZRLOMXFEDFJ-KPKJPENVSA-N 442.537 3.674 0 40 IHAB COc1ccc([C@H](CNC(=O)c2ccc3c(c2)NC(=O)CCS3)N2CCCC2)cc1 14183860 YPTMPCVKZYUYOE-FQEVSTJZSA-N 425.554 3.696 0 40 IHAB O=C(C1CCN(S(=O)(=O)c2ccccc2F)CC1)N1CC=C(c2ccccc2)CC1 14197214 UPQUXWSPQAPWLX-UHFFFAOYSA-N 428.529 3.542 0 40 IHAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1c2ccccc2Oc2ccccc21 14697243 DLYGILPOUTTZTB-UHFFFAOYSA-N 438.505 3.822 0 40 IHAB CCC1(C)COC2(OC1)C(=O)N(CN1CCN(c3ccc(F)cc3)CC1)c1ccccc12 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O=S(=O)(c1cccc(C(F)(F)F)c1)N1CC[C@@H](c2nnc(-c3ccsc3)o2)C1 19331038 AOULTTXUAUDAMM-LLVKDONJSA-N 429.445 3.995 0 40 IHAB COc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@H](O)c3c[nH]c4cc(OC)ccc34)CC1)O2 19562183 AXJSHCAYUXIJLL-GOTSBHOMSA-N 438.524 3.569 0 40 IHAB CN(C)c1cc([C@H]2CCCN(C(=O)COc3ccccc3F)C2)nc(-c2cccnc2)n1 19584362 OWVVLPJSNFUZAO-SFHVURJKSA-N 435.503 3.529 0 40 IHAB O=C(CC1CCCC1)N1CC[C@@H](c2c(C(=O)N3CCOCC3)sc3ncccc23)C1 19696216 YQTSJTUNBQPNQH-QGZVFWFLSA-N 427.570 3.665 0 40 IHAB COc1ccccc1CNC(=O)c1cn(C)nc1CC1CCN(C[C@H]2CC=CCC2)CC1 19756706 FWCZTUNOLRGDMF-NRFANRHFSA-N 436.600 3.970 0 40 IHAB CC(C)c1ncc(CN2CCC(Cc3nn(C)cc3C(=O)NCc3ccccc3)CC2)cn1 19756713 OGYMBEUQUSFIEW-UHFFFAOYSA-N 446.599 3.718 0 40 IHAB COc1cc(OC)cc(C(=O)Nc2nc(-c3ccc4c(c3)N(C)C(=O)[C@@H](C)O4)cs2)c1 19796672 ZDWLCPSDKXPJLQ-GFCCVEGCSA-N 439.493 3.823 0 40 IHAB C[C@H](CC(=O)N1CCCC1)CC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 19878039 SRCQRVMJPQYTQT-JOCHJYFZSA-N 433.596 3.959 0 40 IHAB CCc1nn2c(nnc3c(=O)n(-c4ccc(C(C)=O)cc4)ccc32)c1-c1ccc(F)cc1 19962740 RMSSEIZCIQEYAH-UHFFFAOYSA-N 427.439 4.000 0 40 IHAB COc1ccc(Br)cc1S(=O)(=O)NCCSCc1ccc(C)cc1 20000795 ILBIIPQTTHGDQR-UHFFFAOYSA-N 430.389 3.978 0 40 IHAB CCNC(=O)c1cc(S(=O)(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)ccc1OC 20108183 PAYSYCCPLZBUNA-HSZRJFAPSA-N 438.549 3.821 0 40 IHAB COc1ccccc1N1CCN(c2nc(Nc3cccc(C)c3)c3cnn(C)c3n2)CC1 21873581 ZCVKWRQCFQWMEE-UHFFFAOYSA-N 429.528 3.751 0 40 IHAB CC(C)Oc1cccc(CNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c1 22279167 PQTLUIYRJCUUHF-UHFFFAOYSA-N 438.549 3.986 0 40 IHAB Cc1ccc2nc(-c3ccccc3)cc(C(=O)N3CCC[C@@H](C(=O)N4CCOCC4)C3)c2c1 22604704 HDZIMQYRDSSZSI-OAQYLSRUSA-N 443.547 3.921 0 40 IHAB C[C@H](NC(=O)CN1CCN(Cc2nc3ccccc3s2)CC1)c1ccccc1Cl 22917234 PUEYBDCKSFEVPA-INIZCTEOSA-N 428.989 3.945 0 40 IHAB COc1ccc(O[C@@H](C)C(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc1 22983092 VQXSMKZFTXUMFY-SFHVURJKSA-N 437.565 3.930 0 40 IHAB COc1cc(CNC[C@@H](c2cccs2)N2CCOCC2)cc(OC)c1OC(F)F 25261355 RGXSBJJHBFEZJE-HNNXBMFYSA-N 428.501 3.530 0 40 IHAB C[C@@H](Sc1cc(C(N)=O)c2ccccc2n1)C(=O)N1c2ccccc2NC(=O)C1(C)C 25914311 ULTAVLCEOFTYIO-CYBMUJFWSA-N 434.521 3.578 0 40 IHAB C[C@H](NC(=O)CN1CCC(NC(=O)c2ccc(F)cc2)CC1)c1ccc2c(c1)CCCC2 27438976 KFWKDSOXXCZYKP-SFHVURJKSA-N 437.559 3.776 0 40 IHAB CC(C)Oc1ccc(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 30940274 OKXVRNUAAYOIQP-IBGZPJMESA-N 438.933 3.683 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2nc(-c3ccccc3OC)no2)cc1 32759410 CSARLEWXBSYPAE-INIZCTEOSA-N 444.557 3.627 0 40 IHAB COc1ccc(N([C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)S(C)(=O)=O)cc1Cl 36107380 UEPHVFGOMRQFHG-OLZOCXBDSA-N 428.913 3.520 0 40 IHAB COc1ccc(NC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)cc1OCc1cccnc1 40092606 BPTJMNRFHSRLIO-LJQANCHMSA-N 438.528 3.536 0 40 IHAB COc1cccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c1O 44320291 SXWVQIGAXHJFCT-OAQYLSRUSA-N 433.460 3.935 0 40 IHAB CCOC(=O)Cc1csc(NC(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)n1 49549865 WLXUEWHWLHXVFV-UHFFFAOYSA-N 439.472 3.617 0 40 IHAB CCOC(=O)N1CCC(NC(=O)c2ccc(OCc3nc(C4CC4)cs3)cc2)CC1 56907810 MWNWITRCNPHVNA-UHFFFAOYSA-N 429.542 3.950 0 40 IHAB Cc1ccc(-c2nc3c4ccccc4n(CC(=O)Nc4ccc(F)cc4F)c(=O)n3n2)cc1 62639801 PRRCKOHHEZYPJK-UHFFFAOYSA-N 445.429 3.937 0 40 IHAB COC(=O)C1=C(CN2CCC(Cc3ccccc3)CC2)NC(=O)N[C@H]1c1ccc(F)cc1 67204788 DSWIVDQWQVSMIC-QHCPKHFHSA-N 437.515 3.561 0 40 IHAB COc1cccc(NC(=O)Cn2nnc(C(=O)Nc3cccc(C(F)(F)F)c3)c2C)c1 71327360 MUPNTIHBUAUNHV-UHFFFAOYSA-N 433.390 3.505 0 40 IHAB Cc1ccc(-c2cnc(CCC(=O)N[C@@H]3CC(=O)N([C@H]4C[C@@H]4c4ccccc4)C3)o2)cc1 72303318 LNIRKGOQIGTSCS-VSKRKVRLSA-N 429.520 3.856 0 40 IHAB CCCNc1cc([C@H]2CC(=O)N(CC)C2)nc2c(C(=O)Nc3ccc(Cl)cc3)cnn12 72353516 ARPUEPFABUPOHS-AWEZNQCLSA-N 440.935 3.793 0 40 IHAB CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)/C=C/SCc1ccco1 79065739 NYBDSYKEEHZHQK-GXDHUFHOSA-N 449.598 3.906 0 40 IHAB CCOC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc2cccc3c2n(c1=O)CCC3 79193007 SNIIEFSKLMHYCI-CVDCTZTESA-N 443.455 3.510 0 40 IHAB biogenic O=C(c1cccc(C(F)(F)F)c1)N1CCN(c2cc(Nc3ccccn3)ncn2)CC1 90607889 SPGZSYVSNHJYJR-UHFFFAOYSA-N 428.418 3.596 0 40 IHAB CCOc1ccc(S(=O)(=O)NCC(O)(c2cccs2)c2cccs2)cc1F 90617473 VJXMVCLNNFZXOE-UHFFFAOYSA-N 427.544 3.562 0 40 IHAB CCSc1nnc(NC(=O)CN2CCC(c3nnc(-c4ccsc4)o3)CC2)s1 96024396 XNZSIMYXWYDXDP-UHFFFAOYSA-N 436.588 3.580 0 40 IHAB COCCN(C)c1nc(C2CCN(Cc3cc(C)on3)CC2)cc2c1ncn2C(C)C 96155663 LNZIFVWHOYDRKP-UHFFFAOYSA-N 426.565 3.771 0 40 IHAB Cc1cccc(N([C@H](C)C(=O)NCCCc2cccc(OC(C)C)c2)S(C)(=O)=O)c1 220144391 KCNDVHHSATZIMG-LJQANCHMSA-N 432.586 3.686 0 40 IHAB CCc1ccc(N([C@@H](C)C(=O)NCc2ccc(OC(C)C)c(OC)c2)S(C)(=O)=O)cc1 220282036 NSBNMTQYWWGALA-KRWDZBQOSA-N 448.585 3.516 0 40 IHAB CC[C@H](C(=O)Nc1cc(OC)ccc1OC)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O 222500485 DZIWFLMYFZVZKW-QGZVFWFLSA-N 444.912 3.680 0 40 IHAB Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)NCc1cccc2ccccc12 222772392 SHXNQCLUVCEJDY-UHFFFAOYSA-N 438.549 3.628 0 40 IHAB Cc1cccc(NS(=O)(=O)c2ccc(NS(=O)(=O)Cc3ccccc3F)cc2)c1 224549020 DCVUHMSCYAGAAI-UHFFFAOYSA-N 434.514 3.877 0 40 IHAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1cc(OC)cc(OC)c1 225119197 BLJNPMWLBWIHFZ-MOPGFXCFSA-N 442.556 3.723 0 40 IHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CCCN(c1ccccc1F)S(C)(=O)=O 225383889 QPIYPAWIRZAWGB-INIZCTEOSA-N 449.548 3.539 0 40 IHAB CC[C@H](NC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O)c1ccc(Br)cc1 245228360 SMPDSUJLCHAFTL-JOTOCRJQSA-N 436.350 3.517 0 40 IHAB O=C1N(CCc2ccccc2)CC=CC[C@@]12CN(Cc1ccnc3ccccc13)CCO2 257298594 RMJZNFQWLMHTGE-HHHXNRCGSA-N 427.548 3.837 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(c3cc(Nc4cnccn4)cc(C)n3)CC2)cc1 257319980 VUVLWRVGRJVTRY-UHFFFAOYSA-N 439.541 3.501 0 40 IHAB Cc1ccc(N([C@H](C)C(=O)NCCOc2cccc(C)c2C)S(C)(=O)=O)cc1Cl 260935033 OFTZXFNYXHDETP-QGZVFWFLSA-N 438.977 3.615 0 40 IHAB CC(C)NC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 408615032 LBRBLQXHXRNNNG-AWEZNQCLSA-N 433.430 3.835 0 40 IHAB O=C(CN1C(=O)S/C(=C/c2ccccc2Cl)C1=O)N1CCN(c2ccccc2)CC1 409207310 RUZJQSYLHAPANF-XMHGGMMESA-N 441.940 3.725 0 40 IHAB CCOc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3CC)C2=O)cc1OCC 409234224 JFHAMVMBANABBT-CPNJWEJPSA-N 437.496 3.578 0 40 IHAB Cc1ccccc1CSCCNC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 409412009 POEGPFPEZFCXDM-UHFFFAOYSA-N 444.981 3.603 0 40 IHAB CN1C(=O)c2ccc(-c3ccc(F)cc3F)cc2O[C@H]2CN(Cc3ccncc3F)C[C@H]21 514288700 ADIHUPOZIFGKBI-GGAORHGYSA-N 439.437 3.883 0 40 IHAB biogenic,in-vitro NC(=O)[C@@]1(c2ccccc2)CCN(Cc2ncc(-c3cccc(Br)c3)o2)C1 1171178498 DUOCJJHHQRRNLU-NRFANRHFSA-N 426.314 3.733 0 40 IHAB Cn1cc(CC(=O)N2CCC[C@@H](COc3ncc(Br)cn3)C2)c2ccccc21 1775969976 VFGBNRAAMXHWKM-OAHLLOKOSA-N 443.345 3.591 0 40 IHAB COc1cccc(CN2CCN(C)C(=O)[C@H]2Cc2ccc(-c3ccncc3)cc2)c1OC 1848351813 NDMOYSKMSFEJPU-HSZRJFAPSA-N 431.536 3.651 0 40 IHAB CC1=C(C(N)=O)[C@@H](c2cccc(Br)c2)N2NC(c3ccc(Cl)cc3)=NC2=N1 940661 ZPXZLCVJVWETSE-MRXNPFEDSA-N 444.720 3.540 0 40 IHAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3C)cc2)n1 1516959 ZBYLLTGOPISCBJ-UHFFFAOYSA-N 446.916 3.565 0 40 IHAB CCOc1ccc(-c2nc3s/c(=C\c4ccc(Br)cc4)c(=O)n3n2)cc1 1806297 YFDNHSPKZZTUDX-WJDWOHSUSA-N 428.311 3.527 0 40 IHAB CCCCCNC(=O)c1c(N)n(Cc2ccc3c(c2)OCO3)c2nc3ccccc3nc12 2206302 DYMQMIZMCASCOW-UHFFFAOYSA-N 431.496 3.864 0 40 IHAB CCOC(=O)[C@@](NC(=O)c1cccnc1)(Nc1cccc(C(F)(F)F)c1)C(F)(F)F 2257382 JISRWZNSSTYGFG-INIZCTEOSA-N 435.324 3.764 0 40 IHAB COc1ccc(NC(=O)CSc2nnc(-c3cnccn3)n2-c2ccc(C)cc2)cc1 2340248 ZDFFEWHBYQRPMF-UHFFFAOYSA-N 432.509 3.772 0 40 IHAB Cc1cc(C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c(C)o1 2642226 IBNPMDIALRVBNM-UHFFFAOYSA-N 426.391 3.547 0 40 IHAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)CSc2nnc3ccccn23)cc1 2646260 JVSIPSAKYFPQQL-UHFFFAOYSA-N 431.521 3.699 0 40 IHAB Cc1cc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(C)c(C)c2)[nH]n1 2925222 RHXZOBWUVJSROH-UHFFFAOYSA-N 425.539 3.826 0 40 IHAB Cc1ccc([C@H](c2nnnn2CS(=O)(=O)c2ccc(C)cc2)N2CCC(C)CC2)cc1 6197559 YVMDRENMXBNNGB-JOCHJYFZSA-N 439.585 3.543 0 40 IHAB C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N(C)Cc1ccccc1N1CCCCC1 8721067 RZKJJIQFGLZGNP-NRFANRHFSA-N 436.600 3.973 0 40 IHAB CCc1cccc2c(C(=O)[C@H](Sc3nnc(CCC(N)=O)n3C)c3ccccc3)c[nH]c12 9219108 UKWSNWQIIKBICX-HSZRJFAPSA-N 447.564 3.993 0 40 IHAB COc1cccc(CC(=O)NCCN2C(=O)S/C(=C/c3ccc(Cl)cc3)C2=O)c1 9222867 ZDLSDXZTUOHAAY-LDADJPATSA-N 430.913 3.744 0 40 IHAB CCc1cc(=O)oc2c(C)c(OCC(=O)NC3CCN(Cc4ccccc4)CC3)ccc12 9447689 LWYUMRDAONXUAD-UHFFFAOYSA-N 434.536 3.823 0 40 IHAB Cc1cccc(C)c1NC(=O)CSc1nnc(-c2cc(-c3ccc(F)cc3)n[nH]2)n1N 9448994 JYNZMKZSYOFFSC-UHFFFAOYSA-N 437.504 3.536 0 40 IHAB COC(=O)[C@@H](CC(C)C)NC(=O)CSc1nnc(Nc2ccccc2Cl)s1 9451445 VWEGAHPVCMEKDS-CYBMUJFWSA-N 428.967 3.731 0 40 IHAB COc1ccc(S(=O)(=O)N(Cc2cccnc2)Cc2cc3ccc(C)cc3[nH]c2=O)cc1 9488024 ADMJATJNBFWKSS-UHFFFAOYSA-N 449.532 3.631 0 40 IHAB CC(C)Cn1nc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)c2ccccc2c1=O 9594064 XPGJWSSQDXZSSW-ZDUSSCGKSA-N 438.553 3.590 0 40 IHAB CCOc1ccc2nc(NC(=O)c3cn(C)cc4c(=O)n(-c5ccccc5)nc3-4)sc2c1 9661371 QNIILFCAQJQZBM-UHFFFAOYSA-N 445.504 3.937 0 40 IHAB COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 10445368 BQJIFRQRXLOLLO-UHFFFAOYSA-N 425.872 3.769 0 40 IHAB COc1cc(NC(=O)CSCc2cc(=O)n3cc(C)ccc3n2)c(OC)cc1Cl 10949889 YTWNZDGRUFRSEH-UHFFFAOYSA-N 433.917 3.545 0 40 IHAB COc1cc(C(C)=O)ccc1OCC(=O)Nc1ccc(C)c(I)c1 11867890 JVRVQTFTSJMLDU-UHFFFAOYSA-N 439.249 3.828 0 40 IHAB COc1ccc(-c2nc(NC(=O)CCn3cnc4sccc4c3=O)sc2C)cc1 12264038 CVORVNOSKMQXOY-UHFFFAOYSA-N 426.523 3.927 0 40 IHAB COc1cc(C(=O)N2CCC[C@H]([C@H]3CC(=O)c4ccccc4O3)C2)cc(OC)c1OC 12327708 PHKVCCDZDCESJZ-MGPUTAFESA-N 425.481 3.599 0 40 IHAB CCCn1c(N2CCN(C(=O)C3CCCCC3)CC2)nc2sc3c(c2c1=O)CCCC3 12407560 XBVUJCNCLKEOCM-UHFFFAOYSA-N 442.629 3.976 0 40 IHAB COc1cccc(Nc2nnc(SCC(=O)c3ccc(CNC(C)=O)cc3)s2)c1 12564510 DNVBOIWEQQGGII-UHFFFAOYSA-N 428.539 3.901 0 40 IHAB O=C(N=c1[nH]c2ccccc2[nH]1)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 12752536 CYJZALPGMROZAR-UHFFFAOYSA-N 444.875 3.830 0 40 IHAB CCOC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc3ccccc3n2)CC1 12788073 HIMZYQRLFJHXBE-QFIPXVFZSA-N 437.927 3.950 0 40 IHAB CCCCNC(=O)CN1CCN(C(=O)c2cc(-c3cccs3)nc3ccccc23)CC1 12855821 QFCQBPGRFUZFAP-UHFFFAOYSA-N 436.581 3.637 0 40 IHAB O=S(=O)(c1ccc(Cl)cc1F)N1CCN(Cc2nc3ccccc3s2)CC1 12947955 TUQUFRGWJRZBQB-UHFFFAOYSA-N 425.938 3.595 0 40 IHAB CCc1ccc(-c2nc(C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)cs2)cc1 12997671 GMIODLSXMZUVAP-UHFFFAOYSA-N 441.578 3.519 0 40 IHAB COc1cc(C(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc(OC)c1Br 13012077 DZKUVAGQQYRZIB-ZDUSSCGKSA-N 445.317 3.880 0 40 IHAB COc1ccc(OCCCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1 13113248 YIVNRUQKYRRMCJ-UHFFFAOYSA-N 446.569 3.976 0 40 IHAB COc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccc(C)cc4)[nH]c(=O)c32)cc1OC 13567286 XYDQMZRPTDAKMS-MRXNPFEDSA-N 437.521 3.862 0 40 IHAB CCn1c(CC(=O)Nc2ccc(C)cc2)nnc1SCC(=O)N[C@@H](C)c1ccccc1 13955774 YYWRSFSMGWPOAS-KRWDZBQOSA-N 437.569 3.757 0 40 IHAB CCn1c(CC(=O)Nc2ccc(C)c(C)c2)nnc1SCC(=O)N[C@@H]1CCCC[C@@H]1C 13955957 SCHPEJGRAJOTRP-QFBILLFUSA-N 443.617 3.883 0 40 IHAB Cc1c(CN2CCN(C(=O)c3ccccc3COc3ccc(F)cc3F)CC2)cnn1C 13959737 ADBSLGMECBUZDW-UHFFFAOYSA-N 440.494 3.544 0 40 IHAB C[C@H](NC(=O)COc1ccc(Br)cc1Cl)c1ccc(S(C)(=O)=O)cc1 15198428 XWEMPRJBLNOMDC-NSHDSACASA-N 446.750 3.762 0 40 IHAB O=C(CN1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21)Nc1ccccc1C(F)(F)F 15545983 BPVCOMPQVSUFNU-HXUWFJFHSA-N 447.457 3.924 0 40 IHAB COc1ccccc1CN(Cc1cccs1)C(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O 16015090 SDEZFJPLCKCJJP-WOJBJXKFSA-N 440.565 3.851 0 40 IHAB CCOc1cc(CNCc2ccccc2Cl)cc(Br)c1OCC(N)=O 16688336 LUCSSSPWPQUPEL-UHFFFAOYSA-N 427.726 3.655 0 40 IHAB CCCCCCOc1ccc(/C=c2\sc3nc(-c4ccco4)nn3c2=O)cc1OC 16736131 IFSSBSOKULTJRG-RGEXLXHISA-N 425.510 3.926 0 40 IHAB CCc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCN2CCOCC2)cc1 16741910 LGJGIZZAECFYND-DEOSSOPVSA-N 446.547 3.931 0 40 IHAB CC[C@@H](OC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)C(=O)Nc1cc(C)on1 16808176 GLHMGNPORDZFEK-CYBMUJFWSA-N 436.877 3.739 0 40 IHAB Cc1nn(C(=O)c2ccccc2Cl)c(C)c1S(=O)(=O)N1CCc2ccccc2C1 16976490 YNDHBELTDAVMDM-UHFFFAOYSA-N 429.929 3.589 0 40 IHAB CCOc1ccc(C(=O)n2nc(C)c(S(=O)(=O)N3CCCCCC3)c2C)cc1OCC 17315571 DRBOKMFEQFWGKL-UHFFFAOYSA-N 449.573 3.551 0 40 IHAB Cc1cc(-c2cccs2)nc([C@@H]2CCCN(C(=O)c3cnc4ccccn4c3=O)C2)n1 19117890 PYPIREIUNPMAEZ-MRXNPFEDSA-N 431.521 3.541 0 40 IHAB COc1ccc(OC)c(CN2CC[C@](Cc3ccc(-c4cccnc4)cc3)(C(N)=O)C2)c1 19551415 ISSXTQKLBKGJNW-AREMUKBSSA-N 431.536 3.686 0 40 IHAB CNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCN(C(=O)c2ccccc2OC)C1 19591606 YOUICHCQIREPFR-AREMUKBSSA-N 429.520 3.578 0 40 IHAB CNc1nc([C@H]2CCCN2C)nc2c1CCN(C(=O)c1csc(Cc3ccccc3)n1)C2 19707502 FAPDQUUOLIXDDR-HXUWFJFHSA-N 448.596 3.531 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H](C)Oc1cccc(C)c1C 19932900 JFHMVSXBQJHRAK-GOSISDBHSA-N 446.569 3.893 0 40 IHAB CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)N1CCc2ccccc21 21277670 KKXFHWLRPVQSIA-QGZVFWFLSA-N 433.371 3.890 0 40 IHAB COc1ccc([C@@H](NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)c2nccn2C)cc1 22471127 KKEJFLZLDFBMFG-DENIHFKCSA-N 447.539 3.578 0 40 IHAB CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)N(C)CCOc1ccc(Cl)cc1 22515427 DIVLHYQRJGMHFG-QGZVFWFLSA-N 431.964 3.699 0 40 IHAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)COc1ccc(Cl)cc1Cl 22525724 DUMWOYMOZXVNCR-UHFFFAOYSA-N 447.340 3.706 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3cc(C)c(C)cc3C)CC2)cc1 22539811 BICARNZKYIHSQZ-LJQANCHMSA-N 444.597 3.899 0 40 IHAB CC(=O)N(c1cccc(C)c1)c1nc(COC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cs1 24488316 UJKKKUZQHHPIDW-UHFFFAOYSA-N 449.488 3.719 0 40 IHAB O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 26149036 YOBVTQWCJVTPNZ-UHFFFAOYSA-N 430.533 3.610 0 40 IHAB Cc1cc2nn(-c3ccccc3)nc2cc1NC(=S)NC(=O)c1ccc2c(c1)OCO2 32127007 SCKHSGVRAAJWAG-UHFFFAOYSA-N 431.477 3.584 0 40 IHAB Cn1cnnc1Sc1ccc(Cl)cc1NC(=O)CCn1c(=O)oc2ccccc21 32738194 BMAHNKNEJPHPRC-UHFFFAOYSA-N 429.889 3.556 0 40 IHAB CCN(C(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1ccccc1C 32856085 XHFQEVXMLBARPB-UHFFFAOYSA-N 427.504 3.844 0 40 IHAB Cc1cc(F)ccc1NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccc(C(C)(C)C)cc1 32904921 ZXUNUSCVOMQHKW-FQEVSTJZSA-N 448.560 3.603 0 40 IHAB O=C(c1ccco1)N1CCN(c2c3c(nc4cc(-c5ccc(F)cc5)nn24)CCC3)CC1 35314338 KTGRKJRWKGSBHB-UHFFFAOYSA-N 431.471 3.580 0 40 IHAB Cc1cc2nc(COC(=O)c3ccc(Cl)c(NC(=O)c4cccs4)c3)cc(=O)n2o1 41077242 GWHUUPYIBFRBBK-UHFFFAOYSA-N 443.868 3.920 0 40 IHAB COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)N[C@@H](C)C(=O)NC(C)(C)C)c1 48310957 BZVRZRJUKXMCSR-KRWDZBQOSA-N 434.540 3.640 0 40 IHAB Cc1nc(-c2ccccc2)sc1CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 48985242 LWEVFBPRZBIDQR-UHFFFAOYSA-N 435.549 3.734 0 40 IHAB O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21)Nc1ccc(F)c(Cl)c1 57428827 GYWSZTMWGUSQCH-UHFFFAOYSA-N 429.860 3.645 0 40 IHAB COC(=O)[C@H](C)Sc1ccccc1C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 58099372 SOYSQFJFARUSNR-KBXCAEBGSA-N 428.510 3.710 0 40 IHAB COc1ccc([C@@H]2CC(=O)c3cc(C(=O)Nc4cc(OC)cc(OC)c4)c(=O)[nH]c3C2)cc1 64775538 ZKYSVJUEPXKAJC-HNNXBMFYSA-N 448.475 3.566 0 40 IHAB COC(=O)c1ccccc1NC(=O)CSc1nc2cc(C)[nH]c2c(=O)n1CCC(C)C 67238016 RWGXUHFRZFIUNH-UHFFFAOYSA-N 442.541 3.597 0 40 IHAB CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCN1C(=O)CCc1nc(C(C)C)no1 72370330 BLKHXODTWAEPRG-HNNXBMFYSA-N 440.569 3.934 0 40 IHAB O=C(c1cc2ccccc2oc1=O)N1CCC(Oc2ncccc2Br)CC1 96096965 YMCAAIKCTAHGAC-UHFFFAOYSA-N 429.270 3.634 0 40 IHAB O=C1CCc2cc(S(=O)(=O)N(Cc3ccsc3)Cc3ccco3)cc3c2N1CC3 96119231 VDVZLSDVSHYXHE-UHFFFAOYSA-N 428.535 3.568 0 40 IHAB COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)CCCc1nc2ccccc2c(=O)[nH]1 96220878 BNCIXMJEZAKCBY-OAQYLSRUSA-N 430.508 3.930 0 40 IHAB biogenic CCc1ccc(OCC(=O)NCc2nc(-c3cccc(OC)c3)no2)c(Br)c1 96254774 LQHWFFGWVLFHBA-UHFFFAOYSA-N 446.301 3.765 0 40 IHAB CCOc1ccc(NC(=O)c2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H]([C@H]6C[C@H]56)[C@@H]4C3=O)cc2)cc1 102529849 JNZQZRHVKSSGPE-AJIIZAQNSA-N 428.488 3.895 0 40 IHAB CCc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)NCc3ccco3)CC2=O)cc1 103717429 SMLAQGWWJJAUEM-SFHVURJKSA-N 431.492 3.764 0 40 IHAB COc1ccccc1N1CCN(C(=O)CC2(CC(=O)NCc3ccco3)CCCC2)CC1 199424084 KNLSUZQLPBGKDN-UHFFFAOYSA-N 439.556 3.594 0 40 IHAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCCC3)C2=O)ccc1OC(C)C 205794974 MDASTUBEQXFRQC-CPNJWEJPSA-N 432.542 3.921 0 40 IHAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(CCCN2CCOCC2)c1C 222868760 HJJGRDBMQZTQLF-GOTSBHOMSA-N 441.645 3.605 0 40 IHAB COc1ccc([C@H](C)NC(=O)c2ccc(OC)c(S(=O)(=O)NC3CCCCC3)c2)cc1 223041039 HCFWRNZVQZJWSP-INIZCTEOSA-N 446.569 3.806 0 40 IHAB COc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1CSc1ccccc1 224327840 PFJMMRAWCRKXCX-UHFFFAOYSA-N 428.535 3.887 0 40 IHAB COc1ccc2c(c1)CCC[C@@H]2NS(=O)(=O)c1cc(Br)ccc1OC 224632281 TVGITQDVGISQNN-INIZCTEOSA-N 426.332 3.822 0 40 IHAB COc1cc(C)c(S(=O)(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1C(C)C 224933661 RZADARLQJDKXCP-KRWDZBQOSA-N 446.569 3.837 0 40 IHAB CN(C)S(=O)(=O)c1cccc(C(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)c1 225422055 LKGIGJUSDKSDBW-UHFFFAOYSA-N 442.512 3.585 0 40 IHAB CC[C@H](NC(=S)Nc1ccc(N2CCCC2=O)c(C)c1)c1ccc(S(C)(=O)=O)cc1 225725436 UNYMCVKLHFTREZ-IBGZPJMESA-N 445.610 3.963 0 40 IHAB CC(=O)c1cccc(N(CN2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)C(=O)c2ccccc2)c1 226389683 MTRDJRREEWGBFT-JHXGOWNISA-N 440.499 3.547 0 40 IHAB CCNC(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCN(C(=O)c2cncc(N)c2)CC1 257202196 AKVSDGFLVVYGIN-UHFFFAOYSA-N 442.563 3.932 0 40 IHAB O=C1CCCC[C@]2(CN(Cc3ccnc(N4CCCCC4)n3)C[C@H]2c2cccc(F)c2)N1 257205263 AYGTTXDAWIBFPB-WIOPSUGQSA-N 437.563 3.634 0 40 IHAB CC(=O)N1CCC[C@H]1C(=O)N1CC[C@H]2O[C@H]3c4cc(Cl)ccc4OC(C)(C)[C@@H]3C[C@H]2C1 257244706 IMKXOMSNWHLXFD-RZDNYABWSA-N 446.975 3.817 0 40 IHAB O=C(Cc1ccc(F)cc1)N1CCO[C@@H](c2cc(CCOc3ccc(Cl)cc3)[nH]n2)C1 257301608 RZCVWPCWRLLDLH-JOCHJYFZSA-N 443.906 3.966 0 40 IHAB CN1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)CN1CCCCCC1=O 257315585 VCBKDSVIXPUKNV-KLWMKENUSA-N 437.628 3.864 0 40 IHAB C[C@@H](CCc1ccccc1)NC(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 408618385 FZCZFXQRVHXLGL-AWEZNQCLSA-N 429.369 3.897 0 40 IHAB COc1ccc(Cl)cc1NC(=O)CCCC(=O)OCC(=O)Nc1cccc(C(C)=O)c1 408647692 UPTIYCKGQFHBTO-UHFFFAOYSA-N 446.887 3.842 0 40 IHAB COc1ccc(NC(=O)COC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)c2ccccc2)c(OC)c1 408649461 DNJZGZDHTVIURG-BSWISCRUSA-N 437.492 3.731 0 40 IHAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)NCc2ccc(C)cc2)CC1 408700566 HXQNCOCQXXRHNZ-UHFFFAOYSA-N 444.597 3.844 0 40 IHAB Cc1cc(Nc2nc(C)cc(C)n2)cc([C@@H]2CCCN(C(=O)/C=C/c3cnn(C)c3)C2)n1 585291935 VVNRDYKZEHJFEW-AQKVLALTSA-N 431.544 3.693 0 40 IHAB Cc1cc(F)c(Br)cc1S(=O)(=O)Nc1nnc(NCc2ccccc2)o1 1615540880 WBFKSDWGUHUISC-UHFFFAOYSA-N 441.282 3.693 0 40 IHAB CC(=O)N1CCC(Cn2c(-c3cccnc3)nnc2N(C)Cc2ccc(F)cc2F)CC1 1749809832 BJDKMKUTOHOPCT-UHFFFAOYSA-N 440.498 3.513 0 40 IHAB CCCc1cc(C(=O)N2CCN(CC(C)C)CCCN(C(C)=O)c3ccccc3C2)no1 2037916105 OGMYGTWYZRJXPT-UHFFFAOYSA-N 440.588 3.984 0 40 IHAB Cc1ccc(S(=O)(=O)N(Cc2cc3ccc(C)c(C)c3[nH]c2=O)C[C@H]2CCCO2)cc1 923250 QXUOMXVOXUDZJY-OAQYLSRUSA-N 440.565 3.823 0 40 IHAB C[C@@H]1CCCN([C@H]2CC(=O)N(c3ccc(Br)cc3Br)C2=O)C1 1024537 AEMXPQFJWHRWNV-YGRLFVJLSA-N 430.140 3.575 0 40 IHAB CCCSc1nc2sc3c(c2c2nnc(SCC(N)=O)n12)C[C@](C)(CC)OC3 2351926 XWWPOOKXMIJTSS-SFHVURJKSA-N 437.616 3.660 0 40 IHAB CC1=C[C@@H](C)C(COC(=O)CN2CCCCC2)(COC(=O)CN2CCCCC2)[C@@H](C)C1 4201055 ZHWAMRJQVFCPPU-YADHBBJMSA-N 434.621 3.653 0 40 IHAB COc1ccc(C(=O)N2CCN(c3c(F)c(F)c(Cl)c(F)c3F)CC2)cc1OC 6162705 SZNOXPUCNCYYNS-UHFFFAOYSA-N 432.801 3.876 0 40 IHAB CN(Cc1ccccc1)C(=O)CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1 9054086 FQFNDQQYIKQVMU-KRWDZBQOSA-N 428.583 3.936 0 40 IHAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 9191841 PDCSQECJJCYARJ-MRXNPFEDSA-N 435.502 3.879 0 40 IHAB CCc1nnc2n1N[C@H](c1ccc(OC)cc1)[C@@H](C(=O)Nc1ccccc1Cl)S2 9197224 FZHAKYCOUQIITQ-MSOLQXFVSA-N 429.933 3.900 0 40 IHAB CCOc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)NCc2ccccc2)ccc1O 9234619 NKBFIPOZZNNWSJ-MZBJOSPHSA-N 438.568 3.775 0 40 IHAB COc1ccccc1OCCSc1nnc(CC(=O)Nc2ccc(C)c(C)c2)n1C 9262176 YRQDZOIMWZCZCR-UHFFFAOYSA-N 426.542 3.793 0 40 IHAB COc1ccc(C(=O)Nc2ccc3c(c2)CCC3)cc1S(=O)(=O)N1CCCC[C@H]1C 9584562 YFZKDDZPSQZEGM-MRXNPFEDSA-N 428.554 3.999 0 40 IHAB O=C(C[C@H]1SC(=O)N(CC(=O)c2ccccc2)C1=O)Nc1ccc(Br)cc1 10059359 KPZRMCMFPGQCCD-MRXNPFEDSA-N 447.310 3.725 0 40 IHAB COc1ccc(OC)c(C(=O)COC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)c1 11156784 TXLOZFUOORZRAW-SFHVURJKSA-N 435.885 3.586 0 40 IHAB COc1cccc(NC(=O)CN(C)C(=O)CSc2nccn2-c2cc(C)cc(C)c2)c1 11544308 OFLFNOAHQNHPFR-UHFFFAOYSA-N 438.553 3.687 0 40 IHAB CCc1nc(O)c2nnn([C@H]3CCCN(C(=O)C4(c5ccccc5)CCCCC4)C3)c2n1 12232492 ITRODRALHHYXES-SFHVURJKSA-N 434.544 3.555 0 40 IHAB Cc1ccc(NC(=O)CSCC(=O)Nc2cc(Cl)ccc2N2CCN(C)CC2)cc1 12545724 BTQHUHFEHGAYQK-UHFFFAOYSA-N 447.004 3.711 0 40 IHAB Cc1ccc([C@](O)(CCNC(=O)N2CCN(c3cccc(Cl)c3)CC2)C(F)(F)F)o1 12546018 KFNKLNYNNHRYPY-LJQANCHMSA-N 445.869 3.913 0 40 IHAB COc1ccc([C@@H]2CCCCCN2CC(=O)N2CCN(C(=O)c3cccs3)CC2)cc1 12684066 KJFKYJWMAAIVEH-NRFANRHFSA-N 441.597 3.658 0 40 IHAB CC(C)[C@](C)(CC(=O)N1CCOCC1)C(=O)Oc1ccc(C(=O)c2ccc(F)cc2)cc1 12784233 SEXUULRDDDOMFY-VWLOTQADSA-N 441.499 3.873 0 40 IHAB Cc1cc(C(=O)N2CCN(CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)c(C)s1 12874772 VJUKPPMSXXZTHE-UHFFFAOYSA-N 441.475 3.660 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(Cc3ncc(-c4ccc(F)cc4)o3)CC2)c(C)c1 12922357 FKEAOKJVCYELFH-UHFFFAOYSA-N 429.517 3.604 0 40 IHAB CCCN(CC(=O)Nc1ccccc1C)C(=O)COC(=O)c1cc(C)nc2ccccc12 13030272 VDHQNAIZQNMQJE-UHFFFAOYSA-N 433.508 3.886 0 40 IHAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N(CCc1ccccc1)Cc1cccs1)C2=O 13116250 GUDYFEDZDGZERR-HOYKHHGWSA-N 439.581 3.820 0 40 IHAB CN(C)CCCNC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 13595981 UGIGBJSSRWVEEC-JOCHJYFZSA-N 431.989 3.796 0 40 IHAB CCOc1ccccc1CCCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C 13672044 ZKAGVCMDUWGIPX-UHFFFAOYSA-N 430.570 3.541 0 40 IHAB CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)Cc1cccc2ccccc12 14108510 PYHKFVDGHQOBMI-UHFFFAOYSA-N 431.492 3.685 0 40 IHAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1 14180399 VTMPJOZZRFSPMF-KDURUIRLSA-N 443.455 3.707 0 40 IHAB COc1ccc(OC)c(NC(=O)[C@@H](C)SCc2nc3sc(C)c(C)c3c(=O)[nH]2)c1 15082519 BBDXEWCTPOLFEQ-GFCCVEGCSA-N 433.555 3.879 0 40 IHAB O=c1nc2s/c(=C\c3ccc(-c4ccccc4Cl)o3)c(=O)n2nc1Cc1ccccc1 16805833 RTBJZPQXTSBRGM-MOSHPQCFSA-N 447.903 3.563 0 40 IHAB CCCn1nnnc1CSc1nc2scc(-c3ccc(C)c(C)c3)c2c(=O)n1C 19037880 YAJMGWBWDAFWBL-UHFFFAOYSA-N 426.571 3.968 0 40 IHAB NC(=O)[C@@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)c2ccc3c(c2)OCCO3)C1 19331654 XPROUUMUWNOELK-RUZDIDTESA-N 448.544 3.747 0 40 IHAB COc1ccc(C(=O)N2CCCC[C@@H]2c2nc(-c3ccsc3)cc(=O)[nH]2)c(OC)c1 19551940 QRSBBOVBSMUHCZ-GOSISDBHSA-N 425.510 3.883 0 40 IHAB COc1ccc(CC(=O)N2CCC(c3nc(C)c(-c4ccncn4)s3)CC2)cc1OC 19560666 XKMZMPGCPBJVCQ-UHFFFAOYSA-N 438.553 3.874 0 40 IHAB CCc1nnsc1C(=O)N1CCC[C@H](c2nc(N(C)C)ncc2-c2ccccc2F)C1 19694270 DZXQQXPMJFPYCI-AWEZNQCLSA-N 440.548 3.782 0 40 IHAB COc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1 19862697 BAUVISJXRCTJBW-OAHLLOKOSA-N 440.924 3.668 0 40 IHAB Cc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCN2CCOCC2)cc1 20308736 JCAFZMOHALGGFP-QHCPKHFHSA-N 432.520 3.596 0 40 IHAB CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O 22102832 ZVVCGFNPWQUFIO-JDVWUOGWSA-N 443.544 3.571 0 40 IHAB COc1cc(CNCCCSc2nnnn2C)ccc1OCc1cccc(Cl)c1 22109405 RLITXAQPDFQZMA-UHFFFAOYSA-N 433.965 3.723 0 40 IHAB CCCOc1ccc(N(CC(=O)NCCCc2ccccc2Cl)S(C)(=O)=O)cc1 22401000 VOFANSAQVULXKX-UHFFFAOYSA-N 438.977 3.644 0 40 IHAB Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(S(=O)(=O)N(C)C(C)C)cc1 22476230 XSWGHKSIKVENFT-UHFFFAOYSA-N 427.526 3.860 0 40 IHAB CCCCc1nnc(NC(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)s1 22742943 XXELONZXLNMXKR-UHFFFAOYSA-N 449.385 3.881 0 40 IHAB O=C(CCn1cnc2ccccc2c1=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 24730789 HHHVUNTUWRVBAB-QHCPKHFHSA-N 437.503 3.763 0 40 IHAB Cc1ccc(F)cc1NC(=O)[C@H](C)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 25153344 BDHGIYHIDUHEPW-INIZCTEOSA-N 426.488 3.827 0 40 IHAB O=C(c1ccc2ncsc2c1)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 30062988 FGTYLHSGBQZITO-UHFFFAOYSA-N 427.551 3.674 0 40 IHAB COc1ccc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1Cl 30289731 ZSXAPCQBWFFNDJ-UHFFFAOYSA-N 434.867 3.878 0 40 IHAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@@H](c1ccc(Cl)c(Cl)c1)SCC(=O)N2 31812075 BZDDBLSWHISAFV-OAHLLOKOSA-N 446.323 3.929 0 40 IHAB COc1c(C)cccc1C(=O)NC(=S)Nc1nc2ccc(N3CCOCC3)cc2s1 32126316 UOVGSJHLDZUACH-UHFFFAOYSA-N 442.566 3.577 0 40 IHAB COc1ccc([C@H](CNC(=O)c2cccc(Cl)c2Cl)N2CCOCC2)cc1OC 32739261 SXCRMUPNJQBHJA-KRWDZBQOSA-N 439.339 3.814 0 40 IHAB O=C(NCc1ccccc1)C1CCN(C(=O)NCc2ccccc2OC(F)(F)F)CC1 32843840 VPKNMYRMVPROHY-UHFFFAOYSA-N 435.446 3.823 0 40 IHAB O=C(NCc1ccc(Cn2cncn2)cc1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 32909671 PNBREXCVRVUHBL-UHFFFAOYSA-N 444.392 3.600 0 40 IHAB CCn1c(SCC(=O)Nc2ccc(F)cc2)nc2c3cc(OC)ccc3n(C)c2c1=O 33287497 SCCCKKAXYQFWLJ-UHFFFAOYSA-N 440.500 3.787 0 40 IHAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(Cl)c1 36569630 PCJJBHSNLVWRKG-TZIWHRDSSA-N 438.915 3.505 0 40 IHAB C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)c1ccc(-n2cnnn2)cc1 40040447 QATATKLZXVGRHH-QGZVFWFLSA-N 426.480 3.748 0 40 IHAB Cc1cc(NC(=O)CN(C)C(=O)c2cc(C3CC3)nc3onc(CC(C)(C)C)c23)no1 48355288 APHXEEQUVBZDHX-UHFFFAOYSA-N 425.489 3.696 0 40 IHAB CCc1ccccc1NC(=O)CN1CN(c2ccc(C)cc2)c2ncccc2S1(=O)=O 49411423 FWKLDFHCRKKALG-UHFFFAOYSA-N 436.537 3.691 0 40 IHAB CCOc1ccccc1NC(=O)Cn1c(=O)n(-c2ccccc2C)c(=O)c2sccc21 57489710 YUSKTYHOQJNNDB-UHFFFAOYSA-N 435.505 3.560 0 40 IHAB CC(C)(C)c1nc(C(C)(C)NC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)no1 58378064 XNSHCBCBEBOINH-UHFFFAOYSA-N 429.471 3.985 0 40 IHAB O=C(Nc1ccccc1)c1cccc(CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)c1 59421137 HYRBFAWHQTVQBA-VWLOTQADSA-N 427.460 3.669 0 40 IHAB COc1cccc([C@@H](C)NC(=O)Cn2c(=O)cc(-c3nc(C4CC4)no3)c3ccccc32)c1 67317986 KBBOIJLGEMPDPM-OAHLLOKOSA-N 444.491 3.815 0 40 IHAB CC1(C)CC(=O)c2sc(NC(=O)[C@H]3CCCN(C(=O)Cc4ccccc4)C3)nc2C1 71800133 NIGIFRPFMOLRKE-INIZCTEOSA-N 425.554 3.718 0 40 IHAB CCCN1CCN(C(=O)c2cnc(C)cn2)[C@H](Cc2cccc(-c3ccccc3)c2)C1=O 72351813 SJHTYYPAOQWTKB-XMMPIXPASA-N 428.536 3.758 0 40 IHAB CNc1cc([C@H]2CC(=O)N(Cc3ccccc3)C2)nc(CN(C)C(=O)CC2CCCC2)n1 72391881 HOVBGGDVUGGOSU-FQEVSTJZSA-N 435.572 3.573 0 40 IHAB O=C(CCC(=O)N1CCN(C(=O)c2c[nH]c3ccccc23)CC1)Nc1cccc(Cl)c1 94993006 KGDXFMBQTPPVBD-UHFFFAOYSA-N 438.915 3.525 0 40 IHAB CC(=O)[C@@H](C(=O)CCSCCO)[C@@H](SCCO)c1ccc(Cl)c(Cl)c1 100917802 OERFCFONDQCMFC-IRXDYDNUSA-N 425.399 3.650 0 40 IHAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(N3CCCCS3(=O)=O)cc2)CC1 107590940 XINXDFTUAYTFDM-UHFFFAOYSA-N 447.988 3.541 0 40 IHAB C[C@H](C(=O)Nc1ccc(Br)cc1F)N(c1ccccc1F)S(C)(=O)=O 220308228 KKCNDZOLPMPRHK-SNVBAGLBSA-N 433.274 3.521 0 40 IHAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)COc1cc(OC)cc(OC)c1 223122923 HXZQRLYOIHTVDD-SJORKVTESA-N 446.519 3.554 0 40 IHAB CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)COc1cc(C)c(Cl)c(C)c1 223997056 SBQQVLMRXHRRRJ-KRWDZBQOSA-N 432.948 3.898 0 40 IHAB COc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)N(C)Cc3cccs3)c2)cc1 224504109 MARLGOJFSMRYDN-UHFFFAOYSA-N 430.551 3.854 0 40 IHAB CC(C)CSc1nnc(NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)s1 224678069 OEJHXLPJHRQULQ-UHFFFAOYSA-N 442.632 3.814 0 40 IHAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(OC)cc1 224935213 PXNDTZNBXOAXNC-QHCPKHFHSA-N 426.557 3.826 0 40 IHAB CCOC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)c1C 225710469 AEEXPXZAMDXMKY-UHFFFAOYSA-N 434.539 3.930 0 40 IHAB Cc1ccc(C(=O)O)c(OCC(=O)N(CCCn2ccnc2)Cc2ccc(F)cc2)c1 257201149 AGMVDYSCKCJIKY-UHFFFAOYSA-N 425.460 3.527 0 40 IHAB NC(=O)CC1(COc2ccccc2)CCN(C(=O)c2ccc(OC(F)(F)F)cc2)CC1 257237722 HHVZDQIQZFCZJJ-UHFFFAOYSA-N 436.430 3.762 0 40 IHAB COc1ccc(-c2nc([C@H]3CC[C@H](CNC(=O)c4ccccc4)CC3)[nH]c2C(N)=O)cc1 257275405 NPGHIQVOTUXFES-SAABIXHNSA-N 432.524 3.888 0 40 IHAB COc1ccc(C)cc1CC(=O)N1CCC(COc2ccc(Cl)cc2)(CC(N)=O)CC1 257316191 VENRFASDZOORDF-UHFFFAOYSA-N 444.959 3.763 0 40 IHAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 260919972 FAUFAESUFIFZSM-SJORKVTESA-N 430.570 3.606 0 40 IHAB COc1c(Cl)cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1Cl 409218980 ZFPJJNISLFUYTL-OVCLIPMQSA-N 438.242 3.673 0 40 IHAB O=C(NCc1nc(C2CCN(C(=O)C3CC(F)C3)CC2)n2ccccc12)c1ccccc1 585113221 KFLWBLVOARKDPD-UHFFFAOYSA-N 434.515 3.718 0 40 IHAB CC(C)(N)C(=O)N1CCC(c2cccc(Nc3ncc(CC(F)(F)F)s3)n2)CC1 585263295 VGLJRJLSKQKUSY-UHFFFAOYSA-N 427.496 3.830 0 40 IHAB O=C(N[C@H]1CCC[C@H]1NC(=O)c1cccc(OC(F)F)c1)c1cccc(OC(F)F)c1 683370553 WJCZMXXZHVOVNH-CALCHBBNSA-N 440.393 3.970 0 40 IHAB O=C1Nc2ccccc2[C@@H]1C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)CC1 1251489037 LJPPPUJQVVYJFG-NLFFAJNJSA-N 443.547 3.503 0 40 IHAB CN(C)[C@@H]1CC[C@@H]2CN(C(=O)c3ccccc3OCC(=O)Nc3ccccc3F)C[C@H]2C1 1537789610 ATWZGVUWVGNCOT-GUDVDZBRSA-N 439.531 3.646 0 40 IHAB COc1ccc(CN(Cc2nc3ccccc3c(=O)[nH]2)C(=O)NCc2ccccc2)cc1 1360048 SQNRSZNHUIFYBD-UHFFFAOYSA-N 428.492 3.844 0 40 IHAB CCCCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc(Br)c(O)c(OC)c1 2070701 FBHJPCKCFIOHQF-INIZCTEOSA-N 441.322 3.867 0 40 IHAB COCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2ccc(Cl)cc2)C1=O 2152799 MUISXJHOTMYOAH-REWPJTCUSA-N 437.927 3.543 0 40 IHAB biogenic NC(=O)c1ccccc1NC(=S)NC(=O)c1ccc(-c2ccc(Br)cc2)o1 2329184 YJKCTBRVTBEIML-UHFFFAOYSA-N 444.310 3.935 0 40 IHAB CCOc1cccc(-c2nnc(SCC(=O)Nc3ccc(N(CC)CC)cc3)n2N)c1 2378965 ZGOIDFQYHTZZMG-UHFFFAOYSA-N 440.573 3.635 0 40 IHAB COc1ccccc1NC(=O)Cc1noc(COC(=O)/C=C/c2ccc(Cl)cc2)n1 2621826 DIZKDWLPJLTBPK-DHZHZOJOSA-N 427.844 3.669 0 40 IHAB CCCn1nc(C(=O)OCC(=O)Nc2c(Cl)cccc2Cl)c2ccccc2c1=O 2640691 VNDHKUAJTCYCJS-UHFFFAOYSA-N 434.279 3.909 0 40 IHAB O=C(N[C@@H](Cc1ccccc1)C(=O)OCC(=O)N1CCCc2ccccc21)c1ccccc1 3267378 NDXZUWASZWVACR-QHCPKHFHSA-N 442.515 3.550 0 40 IHAB CCCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H]3CCCc4ccccc43)nnc12 3375284 DEHZXGDOKRZLBQ-LJQANCHMSA-N 447.564 3.740 0 40 IHAB CC[C@H](c1nnc(SCc2nc3ccsc3c(=O)[nH]2)n1Cc1ccccc1)N(C)C 8768887 XJPXMEUKIBEOPI-MRXNPFEDSA-N 440.598 3.929 0 40 IHAB COc1ccc(Cn2c(N)c(C(=O)NCC(C)C)c3nc4ccccc4nc32)cc1OC 8836000 NOLRIAHJDZKGSI-UHFFFAOYSA-N 433.512 3.618 0 40 IHAB CC(C)(C)N(Cc1ccccc1)C(=O)CN1C(=O)N[C@]2(CCCc3sccc32)C1=O 8850537 XQZLFXDCDIAZHS-QHCPKHFHSA-N 425.554 3.659 0 40 IHAB CC(=O)NCCc1ccc(-c2csc(NC(=O)c3cncc(Br)c3)n2)cc1 9223414 FMUYRAIRLXWFKE-UHFFFAOYSA-N 445.342 3.899 0 40 IHAB C[C@@H](CCc1ccccc1)NC(=O)CN(C)S(=O)(=O)c1cc(Cl)ccc1Cl 9227397 QIVDBTQDJPGEKO-AWEZNQCLSA-N 429.369 3.751 0 40 IHAB CCCc1nnc(NC(=O)CSc2nnc(-c3cc4cccc(OC)c4o3)n2C)s1 9302692 ZLTPCLZSYVUVSQ-UHFFFAOYSA-N 444.542 3.772 0 40 IHAB COc1ccc(C2=NN(C(=O)Cn3cnc4cc(F)ccc4c3=O)[C@@H](c3ccco3)C2)cc1 9516390 IJEYNIUOMRZJKI-OAQYLSRUSA-N 446.438 3.515 0 40 IHAB COc1ccc(Cn2nnnc2SC[C@@H](O)COc2ccc(-c3ccccc3)cc2)cc1 10578738 JXKDGRZQPHXFBH-NRFANRHFSA-N 448.548 3.929 0 40 IHAB CC1=C(C(=O)Nc2cc(C)on2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1CC(C)C 11203978 FDWGXMQUBHATNY-GOSISDBHSA-N 429.502 3.691 0 40 IHAB Cc1ccc(CNC(=O)Cn2c(=O)n(-c3ccccc3)c(=O)c3oc4ccccc4c32)cc1 12140736 ITXMKDUSFQVHHP-UHFFFAOYSA-N 439.471 3.523 0 40 IHAB COc1cc(C(=O)NC[C@@H](c2ccco2)N2CCc3ccccc3C2)cc(OC)c1OC 12342358 VROFBBMKUZBPKP-FQEVSTJZSA-N 436.508 3.835 0 40 IHAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)c1ccc(OCc2cn3ccccc3n2)cc1 12629904 CRGVWDKSZLEOLE-UHFFFAOYSA-N 435.505 3.878 0 40 IHAB CCOC(=O)Cc1csc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3[C@@H](C)CC)C2)n1 12734780 NCKOGZLDFWISLP-LSDHHAIUSA-N 429.542 3.754 0 40 IHAB CC[C@H]1c2ccsc2CCN1C(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 12767415 JZIOPSVDSNZGAS-IBGZPJMESA-N 436.574 3.824 0 40 IHAB CCC(C)(C)NC(=O)[C@@H](c1ccco1)N(Cc1ccccc1F)C(=O)c1csnn1 12871952 WKUUSRYQPQLCHX-GOSISDBHSA-N 430.505 3.959 0 40 IHAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CSc1ccc2ccccc2c1 12927377 SULGCCZSFRFUCU-UHFFFAOYSA-N 426.563 3.772 0 40 IHAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)N[C@H](C)c1ccccc1Br 12998766 LFEUXHJIYHLOML-CQSZACIVSA-N 436.325 3.997 0 40 IHAB Cn1c(SCc2nnnn2-c2ccccc2)nc2scc(-c3cccs3)c2c1=O 13012785 BMJAPFZAWVBXNF-UHFFFAOYSA-N 438.563 3.992 0 40 IHAB COc1cccc(COC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCCCC3)c2)c1 13098943 SLQHWJXTRAKDMR-UHFFFAOYSA-N 433.526 3.626 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc(OC)ccc2Br)cc1 13114999 VCIHTYNNNQFPBW-UHFFFAOYSA-N 441.347 3.741 0 40 IHAB CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(OCc3ccccc3)c(OC)c1)CC(=O)N2 13567328 QRLHGIWIISEYHL-MRXNPFEDSA-N 437.521 3.944 0 40 IHAB Nc1nc(SCC(=O)Nc2cc(-c3ccc4c(c3)CCCC4)nn2-c2ccccc2)n[nH]1 14141944 GXAGCLMDYKLLAH-UHFFFAOYSA-N 445.552 3.849 0 40 IHAB Cc1nc(-c2ccc(CNC(=O)c3cc(C)c(C)c(S(=O)(=O)N(C)C)c3)s2)cs1 14227128 XYRIXXUFAJMICV-UHFFFAOYSA-N 449.623 3.977 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2nc(CCC(=O)N3CCc4ccccc4C3)cs2)cc1 16848644 ADFPZBKCEMKBSV-UHFFFAOYSA-N 441.578 3.770 0 40 IHAB O=C(Cn1c(CO)cnc1SCc1c(F)cccc1Cl)NCc1ccc(F)cc1 17149687 VEOFEZHAOMGBBF-UHFFFAOYSA-N 437.899 3.916 0 40 IHAB C[C@H](Sc1nnc(N2CCCC2)n1-c1ccccc1Cl)C(=O)NCC(F)(F)F 17880580 BQQMNLLUDDOVTI-NSHDSACASA-N 433.887 3.680 0 40 IHAB O=C(Cc1ccc2c(c1)OCO2)N1CCC(c2nnc(-c3nccc4ccccc34)o2)CC1 19376513 FQVHHOASHVBVGE-UHFFFAOYSA-N 442.475 3.962 0 40 IHAB CCOC(=O)[C@@]1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCCN(C(=O)c2cscn2)C1 19529954 DGGBETGGKZEXII-HTAPYJJXSA-N 445.516 3.651 0 40 IHAB COc1ccc(Cl)cc1C(=O)N1CCC(Nc2nc(-c3ccsc3)cc(=O)[nH]2)CC1 19558985 GFATXUFHUQIPQC-UHFFFAOYSA-N 444.944 3.877 0 40 IHAB Cc1cc(C(=O)N2CCC[C@H](c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)C2)c(=O)[nH]c1C 19566754 WTLNZGIUXYTSQC-HACGYAERSA-N 437.466 3.516 0 40 IHAB CNC(=O)[C@@]1(Cc2ccc(-c3ccccc3OC)cc2)CCN(C(=O)c2c(C)noc2C)C1 19579771 GIGUMSFQLCARMR-AREMUKBSSA-N 447.535 3.788 0 40 IHAB CNc1nc([C@@H]2CCCN(C)C2)nc2c1CCN(C(=O)c1cc(C3CCCCC3)no1)C2 19708800 HUMMKJCAHVEHAW-QGZVFWFLSA-N 438.576 3.562 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(C(=O)O[C@H](C)c2nnc(-c3ccccc3)o2)ccc1F 20035031 MCNMWGBEZJFXGY-CQSZACIVSA-N 447.488 3.824 0 40 IHAB O=C(C[C@@H]1C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3n21)Nc1ccc(F)c(Cl)c1 20103493 IRUSARGJGGKHKR-AUUYWEPGSA-N 442.878 3.924 0 40 IHAB CC(C)[C@H](NC(=O)CSc1nncn1Cc1ccco1)c1ccc2c(c1)OCCCO2 22197024 PRLXEGKOKXRHTH-NRFANRHFSA-N 442.541 3.686 0 40 IHAB CCCS(=O)(=O)N1CCCc2ccc(NC(=O)NCc3ccc(OC)c(OC)c3)cc21 22504122 OLQZRYARCOLKLA-UHFFFAOYSA-N 447.557 3.518 0 40 IHAB CCSc1nnc(SCC2=C(C(=O)OC)[C@@H](c3ccccc3)NC(=O)N2C)s1 23103589 RUHUABFNZGWZGC-CQSZACIVSA-N 436.584 3.566 0 40 IHAB Cn1c(C2CC2)nn(CN2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)c1=S 26687819 AYMXFDOZBRWILC-UHFFFAOYSA-N 427.496 3.502 0 40 IHAB O=C(Nc1ccccc1Cl)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 26779994 TYUOINVMEVOQES-UHFFFAOYSA-N 430.313 3.658 0 40 IHAB CCOc1ccc(N2C[C@@H](C(=O)NCc3ccc(-c4csc(C)n4)o3)CC2=O)cc1 28729152 BEFZUSXOEBDSIV-HNNXBMFYSA-N 425.510 3.780 0 40 IHAB Cc1ccc(-c2cc(C(=O)NCc3cccnc3N3CCOCC3)c3c(C)noc3n2)s1 30310625 MJMUIORMNWLHGI-UHFFFAOYSA-N 449.536 3.730 0 40 IHAB O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1cccc(Nc2ncccn2)c1 30629416 WJEAWPVKLHCEKE-UHFFFAOYSA-N 437.525 3.647 0 40 IHAB COc1ccc([C@H]2CCCCCN2C(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)cc1 32810732 IWNLRDDYSZANNR-HXUWFJFHSA-N 427.545 3.736 0 40 IHAB C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO1)C(=O)Nc1ncccn1 32879768 HQZYKNYZQCUCKV-GJZGRUSLSA-N 449.540 3.515 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)N[C@@H](C)c1ccc2c(c1)OCO2 32889201 YMOCFWYJHVOONE-SJORKVTESA-N 444.553 3.778 0 40 IHAB Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3c(C)cccc3C)C(=O)[C@@H]2[C@@H]2CCCN21 35855255 IMKVWQDDARGXTE-WKGYELDXSA-N 449.938 3.696 0 40 IHAB O=C(NCc1nc2ccccc2s1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 36621843 CRLNKKBISXYPND-UHFFFAOYSA-N 449.985 3.667 0 40 IHAB COC(=O)c1cc(NC(=O)C2CCN(Cc3ccccc3Cl)CC2)cc(C(=O)OC)c1 39742553 LUCYFIFOXUVNOJ-UHFFFAOYSA-N 444.915 3.764 0 40 IHAB Cc1cc(C)n(Cc2cccc(CNC(=O)[C@H]3CC(=O)N(c4cccc(C)c4C)C3)c2)n1 40139396 TXPKYFKBDXKLDS-QHCPKHFHSA-N 430.552 3.834 0 40 IHAB Cc1nc(COc2ccccc2C(=O)N[C@H]2CC3(CCN(C)CC3)Oc3ccccc32)no1 48299966 AOBQMRCTRRSNMP-FQEVSTJZSA-N 448.523 3.675 0 40 IHAB Cn1cnnc1SCCNC(=O)c1ccc(OCc2nc(-c3ccco3)cs2)cc1 49032330 UNRMSHHYRHMZHT-UHFFFAOYSA-N 441.538 3.633 0 40 IHAB Cc1ccc(C)c(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc(N(C)C)cc3)c2=O)c1 57492403 ZBDVLACLNCLXJM-UHFFFAOYSA-N 448.548 3.535 0 40 IHAB CC(C)CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2C(F)(F)F)c1=O 57525850 WEHHVKHHFLCFNZ-UHFFFAOYSA-N 433.430 3.867 0 40 IHAB Cc1cccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@H](O)[C@@H]43)CC2)c1C 59409686 IYVNGAUMUARQSV-MIUQLTIPSA-N 438.612 3.710 0 40 IHAB biogenic O=C(NCc1ccccc1)C1=NO[C@H](Cc2nc(-c3cccc(Br)c3)no2)C1 66088372 NJOGRRQCSBJQRG-INIZCTEOSA-N 441.285 3.503 0 40 IHAB Cc1cc2nc(SCC(=O)Nc3ccc4c(c3)OCCO4)n(-c3ccccc3)c(=O)c2[nH]1 67236850 DPPQETMGBZOKRS-UHFFFAOYSA-N 448.504 3.524 0 40 IHAB O=C(NCC[S@](=O)Cc1ccccc1)[C@@H](c1cccc(Br)c1)N1CCCC1 72306972 GCWZZKRFZXRRFB-NFQMXDRXSA-N 449.414 3.651 0 40 IHAB O=C(CN1CCOCC1)N1CCC[C@@H](c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1 72349723 QQHMDSXZACHZMR-LJQANCHMSA-N 447.501 3.729 0 40 IHAB COCCNC(=O)c1sc2ccccc2c1C[C@@H]1CCCN1Cc1cn(C)nc1C 72370356 KMCOWUWYSJCHCV-SFHVURJKSA-N 426.586 3.527 0 40 IHAB Cc1ccc(-n2ncc(C(=O)NCCCCN3C[C@H](C)O[C@H](C)C3)c2C(F)(F)F)cc1 79050770 BEPVHIQTVICKTK-CALCHBBNSA-N 438.494 3.819 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)/C=C/c1ccc(OC)cc1 89267808 ZDXSMQSYAYRUJF-NTEUORMPSA-N 444.553 3.920 0 40 IHAB Cc1nc(-c2ccccc2Cl)sc1CNC(=O)C[C@H]1CSc2ncc(C)c(=O)n21 90593261 OYELRCJCFHWUFA-ZDUSSCGKSA-N 446.985 3.990 0 40 IHAB COCCn1/c(=N/C(=O)c2ccc3ncsc3c2)sc2cc(OC)c(OC)cc21 101035767 AWINGJPWGBQDKX-XDOYNYLZSA-N 429.523 3.717 0 40 IHAB NC1=Nc2nc3ccccc3n2[C@H](C2=C(N3CCOCC3)/C(=C/c3ccccc3)CC2)N1 101373618 REDKNEXDARFHQB-YJCCFKNTSA-N 426.524 3.548 0 40 IHAB CC(=O)O[C@H]1C[C@@H]2CC[C@H]3[C@@H]4[C@@H](OC(C)=O)CC(=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)[C@@H](OC(C)=O)C1 123374277 GJEJASFBAXHMOD-TXDUTMEKSA-N 448.556 3.613 0 40 IHAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 219698574 SQGDHYRLJNDDCY-SFHVURJKSA-N 436.961 3.688 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)cc1 222498729 ZYRSEMKKCDRIAE-UHFFFAOYSA-N 438.933 3.945 0 40 IHAB CCOc1ccc(-c2noc(CNS(=O)(=O)c3cc4c(cc3OC)CCCC4)n2)cc1 224617659 OWMHWGVVRVYCKJ-UHFFFAOYSA-N 443.525 3.501 0 40 IHAB COc1ccc(C(=O)NC2CCCCCC2)cc1CN(C)S(=O)(=O)c1ccccc1 224766052 GLHBQFVSMKOYTF-UHFFFAOYSA-N 430.570 3.969 0 40 IHAB CC(C)Oc1cccc(N(CCCC(=O)NC[C@@H](C)c2ccccc2)S(C)(=O)=O)c1 224909714 CHEKDJOILDLEAQ-LJQANCHMSA-N 432.586 3.940 0 40 IHAB CC[C@@H](C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C)N(c1ccccc1)S(C)(=O)=O 225158354 HPHDIKIEVPHOAP-KRWDZBQOSA-N 447.582 3.827 0 40 IHAB COC(=O)c1ccc(Cl)c(NC(=S)NCc2nc(-c3cccc(OC)c3)no2)c1 225822622 DADRPEJGRNAEHV-UHFFFAOYSA-N 432.889 3.672 0 40 IHAB O=C(N[C@H]1C[C@H]2CC[C@H]1C2)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 247724789 CZVLSYKJZKCMNO-YAUSHBINSA-N 446.956 3.601 0 40 IHAB CC1=CC(C)(C)N(C(=O)CN2CCC[C@@]2(C(N)=O)c2cccc(C)n2)c2cc(C)ccc21 257260208 LBUDMYXHXYTDKJ-SANMLTNESA-N 432.568 3.704 0 40 IHAB O=C(CN1CCO[C@@H](c2cccc(Nc3ccc(F)cn3)n2)C1)Nc1ccccc1F 257275463 NPMSZNXGPKYQSZ-LJQANCHMSA-N 425.439 3.510 0 40 IHAB CC1(C)C=C(CC(=O)N2CCO[C@@H](c3ccc(Nc4ccccn4)cn3)C2)CC(C)(C)N1 257278229 OBJDPADDEPJTHG-OAQYLSRUSA-N 435.572 3.987 0 40 IHAB COCCOc1cc(CN(C)C[C@H](O)Cn2c(C)c(C)c3ccccc32)ccc1OC 257297273 RGOISZMBASPTDA-NRFANRHFSA-N 426.557 3.785 0 40 IHAB CCOc1ccc(N([C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)cc1 260930961 LNVXDPYWWUBMRX-IAGOWNOFSA-N 430.570 3.606 0 40 IHAB CCOc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)ccc1OCC(N)=O 409138060 ZKPYAYRUORJWAJ-XSFVSMFZSA-N 440.521 3.619 0 40 IHAB O=C(Cn1ccs/c1=N\C(=O)c1ccccc1I)c1ccccc1 409202131 ZZGAQJULLAWCSV-ZZEZOPTASA-N 448.285 3.778 0 40 IHAB Cc1cccnc1C(=O)N1CCC[C@]2(CCCCc3ccccc3OCCN(C)C2=O)C1 643561333 FXFCPBMJUUUKIP-AREMUKBSSA-N 435.568 3.876 0 40 IHAB Cc1ccc(-c2nnc([C@@H](C)n3nnc([C@H]4CN(Cc5ccccc5)CCO4)n3)o2)cc1C 675149249 ANPQZJWRCAWBJO-WIYYLYMNSA-N 445.527 3.523 0 40 IHAB COc1ccc(C(=O)Cn2nnc(-c3ccc(OCc4ccccc4)c(OC)c3)n2)cc1 924208 BDYFRAXXEXYFTH-UHFFFAOYSA-N 430.464 3.819 0 40 IHAB Cc1ccc2cc(CN(Cc3ccccc3)Cc3nnnn3Cc3ccco3)c(=O)[nH]c2c1 1373015 RLYFVSHCZBDRQX-UHFFFAOYSA-N 440.507 3.667 0 40 IHAB CC(=O)c1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)c4ccccc4)cc3C2=O)cc1 1508731 ZLXMFUTWCIGGSB-UHFFFAOYSA-N 427.412 3.730 0 40 IHAB COc1ccc(OCC(=O)NCc2nnc3c4ccccc4c(-c4ccccc4)nn23)cc1 2365241 LRRBBAWDOCHXTP-UHFFFAOYSA-N 439.475 3.648 0 40 IHAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(O)cc2)N1Cc1ccc2c(c1)OCO2 2704046 WDKGCXWODPZUGW-JOCHJYFZSA-N 427.412 3.973 0 40 IHAB CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(N(C)C)cc1 5478707 WLZUJSNOWMPQSH-UHFFFAOYSA-N 425.558 3.982 0 40 IHAB COc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCN(C)C)cc1OC 8768326 LBMHNXGVVAIYRL-HXUWFJFHSA-N 442.899 3.570 0 40 IHAB COc1cc(NC(=O)NC[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc(OC)c1OC 9040234 RMJXJNUNMVEVDA-ZDUSSCGKSA-N 433.892 3.540 0 40 IHAB Cc1nnc2sc(-c3ccc(CNC(=S)NC(=O)c4ccccc4Cl)cc3)nn12 9142210 OJGCGDKORXGROX-UHFFFAOYSA-N 442.957 3.619 0 40 IHAB COc1ccc(Br)cc1[C@H]1NC(=S)NC(C)=C1C(=O)Nc1ccccc1 9304731 NBRDRCCFSBHVIR-QGZVFWFLSA-N 432.343 3.889 0 40 IHAB COc1ccc(OCc2nnc(S[C@H](C)C(=O)Nc3nc(C)c(C)s3)n2C)cc1 9329031 DLMCBXUIWLGFGP-CYBMUJFWSA-N 433.559 3.595 0 40 IHAB COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc(Br)cc2)c(OC)c1 9359256 DTNPNBIWYQTCDQ-GOSISDBHSA-N 446.301 3.733 0 40 IHAB COc1cc2oc(=O)c(CC(=O)N3CCN(c4ccccc4)CC3)c(C)c2cc1Cl 9429665 UVTSREDCSARDJO-UHFFFAOYSA-N 426.900 3.655 0 40 IHAB Cc1ccc(CN(C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)[C@@H]2CCS(=O)(=O)C2)o1 9431388 JYJIWHZEQAYAMI-DZGCQCFKSA-N 446.352 3.878 0 40 IHAB CC(=O)N1CCN(C(=O)CSc2nc(-c3ccc(C)c(C)c3)cn2-c2ccccc2)CC1 9439383 DCWUAJTZFCGQLH-UHFFFAOYSA-N 448.592 3.939 0 40 IHAB CC(C)C(=O)Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1 9440169 AKKSCNHOUIVMFJ-UHFFFAOYSA-N 437.949 3.572 0 40 IHAB C[C@@H]1CCN(C(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)c2ccccc2S1 9532787 PSBDUZKMSHEVEJ-VOIUYBSRSA-N 435.549 3.688 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCc4sccc4C3)cc2)cc1 9896658 ZWEIDFGMYSLDBH-UHFFFAOYSA-N 428.535 3.756 0 40 IHAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)/C=C/c1ccc(SC(F)(F)F)cc1 9899721 ZJLBPBJLLBDJSV-FMIVXFBMSA-N 444.500 3.878 0 40 IHAB COc1cccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)[C@@H](c3cccc(F)c3)C2)c1 9971277 AOTOBTNDKRWPLR-JOCHJYFZSA-N 425.485 3.837 0 40 IHAB Cc1ccc2c(COC(=O)c3ccccc3SCC(=O)N(C)C)cc(=O)oc2c1C 9985474 INTCNXGBRNXDIP-UHFFFAOYSA-N 425.506 3.947 0 40 IHAB Cc1ccc(OCCNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c(C)c1 10055130 ACLXVRNXJMZXEJ-UHFFFAOYSA-N 430.551 3.975 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)Nc1ccc2nc(N3CCCC3)sc2c1 10985389 OZORORPINZVQOA-UHFFFAOYSA-N 444.582 3.708 0 40 IHAB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCCOc2ccccc2F)c1 11499817 LJVHUCVPAMBQDG-UHFFFAOYSA-N 429.469 3.887 0 40 IHAB O=C(c1cc(=O)c2ccccc2o1)N1CCN(c2nccn2-c2cccc(Cl)c2)CC1 11695732 BHYBHMYXAQHSAZ-UHFFFAOYSA-N 434.883 3.595 0 40 IHAB CCn1cc(C(=O)N2CCn3c(nc(-c4ccc(N(C)C)cc4)c3NC(C)(C)C)C2)cn1 12116234 RKPVJGGYCKLVSI-UHFFFAOYSA-N 435.576 3.699 0 40 IHAB COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)N1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc12 12406884 UBQYFEJVMHKVGL-UZFJHSOTSA-N 447.535 3.806 0 40 IHAB Cc1[nH]c(SCC(=O)NCc2ccc(N3CCCC3=O)cc2)nc1Cc1ccccc1 12506376 VAJCBGYLTFHHQC-UHFFFAOYSA-N 434.565 3.844 0 40 IHAB COc1ccc(C2=NN(C(=O)COc3ncnc4ccccc34)[C@H](c3ccco3)C2)cc1 12548738 WTQIDARXWXLRMR-NRFANRHFSA-N 428.448 3.988 0 40 IHAB CNC(=O)NC(=O)[C@@H](Nc1ccc(C(=O)Nc2ccc(OC)cc2)cc1)c1ccccc1 12553116 CLGMNXSSZOIVAG-NRFANRHFSA-N 432.480 3.556 0 40 IHAB C[C@H](c1nc(N)nc(N(C)C)n1)N(C)Cc1ccc(-c2ccc(Br)cc2)o1 12784105 SAJVFUMOEKYMCP-GFCCVEGCSA-N 431.338 3.735 0 40 IHAB COc1ccc2c(c1)CCCN2C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 12797788 NKWCZOAOLLQLPN-HDICACEKSA-N 442.581 3.955 0 40 IHAB Cc1ccc(CN(C(=O)c2csnn2)[C@H](C(=O)NC2CCCC2)c2ccccn2)cc1 12872297 CVCWIDDKWKVDLR-NRFANRHFSA-N 435.553 3.684 0 40 IHAB Cc1cccc([C@@H](C(=O)NC2CCCC2)N(Cc2cccnc2)C(=O)c2csnn2)c1 12874776 QFBOGFONSGYXJJ-NRFANRHFSA-N 435.553 3.684 0 40 IHAB C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 13096365 VVMOMEBYGVQMAO-JXFKEZNVSA-N 444.553 3.957 0 40 IHAB CCOc1ccc(-c2nc(CN3C(=O)N[C@@H](Cc4ccccc4)C3=O)cs2)cc1OC 13131312 TXSNQTJMVXEIJY-SFHVURJKSA-N 437.521 3.881 0 40 IHAB CCOC(=O)c1cccc(NC(=O)CCCN(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 13669633 KLUMMZKKOOBCCZ-UHFFFAOYSA-N 432.542 3.665 0 40 IHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1c(C)nn(Cc2ccccc2)c1Cl 14594940 JJDZLEWFVPGRPM-UHFFFAOYSA-N 443.887 3.949 0 40 IHAB CCOc1cc(Br)c(CC(=O)N2CC(=O)Nc3ccccc32)cc1OCC 14851888 NQMPIDZEDVKXFN-UHFFFAOYSA-N 433.302 3.774 0 40 IHAB C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)N(Cc3ccccc3)c3ccccc3)cc2)C1=O 15843025 WBAIBKJQXRRKQE-SFHVURJKSA-N 434.517 3.846 0 40 IHAB CCC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2ccccc2Cl)CC1 17097285 XEIYAMBUFJBARJ-UHFFFAOYSA-N 430.961 3.525 0 40 IHAB COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccc(NC(C)=O)cc1 17099991 AAKWZUOXEPJVOV-UHFFFAOYSA-N 436.331 3.851 0 40 IHAB Cc1nc(S[C@@H](C)C(=O)N2c3ccccc3NC(=O)C2(C)C)n(C[C@H]2CCCO2)c1C 18596570 PYLCSIFIFKWVBA-DLBZAZTESA-N 442.585 3.923 0 40 IHAB CCOC(=O)c1c(NC(=O)CSC2=NCCS2)sc2c1CC(C)(C)NC2(C)C 18768161 JCIRVVNOIRNDAB-UHFFFAOYSA-N 441.644 3.859 0 40 IHAB CC[C@H](Oc1ccccc1OC)C(=O)N1CCC(c2cc(C(F)F)n3ncnc3n2)CC1 19499361 CIIKCCRTRVQCPG-KRWDZBQOSA-N 445.470 3.634 0 40 IHAB CCCn1cc(C(=O)N2CCO[C@H](c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)cn1 19526091 WYNFNNYKIQDYFB-INIZCTEOSA-N 435.406 3.576 0 40 IHAB COc1ccc(OC)c(C(=O)N2CCNC(=O)[C@H](Cc3ccc(-c4ccccc4)cc3)C2)c1 19551072 LSYJRUVVASOYDV-JOCHJYFZSA-N 444.531 3.802 0 40 IHAB Cc1nc([C@H]2CCCN(Cc3ncc[nH]3)C2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 19741648 TWCWAFCRWSZYAT-SFHVURJKSA-N 434.519 3.506 0 40 IHAB Cc1nc([C@@H]2CCCN(C(=O)Cc3cccc(F)c3)C2)ncc1C(=O)NCc1ccccc1 19764368 ANRBNKAWCYUFHX-OAQYLSRUSA-N 446.526 3.803 0 40 IHAB COc1ccc(CN2CCCC[C@@H]2c2ncc(C(N)=O)c(C)n2)cc1Cc1c(C)n[nH]c1C 19764654 ARHXMYZCAIWVEC-JOCHJYFZSA-N 448.571 3.550 0 40 IHAB C[C@@H](Cc1ccccc1Cl)C(=O)N1CCC(c2ccc(C(=O)N(C)C)c(N)n2)CC1 19765765 ILLGBKUJFBLEOQ-HNNXBMFYSA-N 428.964 3.604 0 40 IHAB C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1)c1ccc(F)cc1 20110943 JQYAUPOQZXCVOT-NQIIRXRSSA-N 432.561 3.678 0 40 IHAB COc1ccc(CN2CCN(c3ncc4c(n3)C[C@H](c3ccccc3)CC4=O)CC2)cc1 20502838 UDQHBQBZNCWDGE-NRFANRHFSA-N 428.536 3.720 0 40 IHAB C[C@H]1C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]2[C@@H](OC(=O)C(C)(C)[C@@H](C)O)C1 22061210 MTOKLGKFIIZWRP-WVGTXZNXSA-N 434.573 3.556 0 40 IHAB in-vitro COc1ccccc1CCCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 22279207 BNIZQNJKONXCPZ-UHFFFAOYSA-N 438.549 3.640 0 40 IHAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccc(-c3nc4ccccc4o3)cc1)C2=O 22283669 MKBRMXLSXVLYMV-MYYSRTQBSA-N 432.480 3.934 0 40 IHAB Cc1ccc(N(CC(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)S(C)(=O)=O)c(C)c1 22328474 CJDUIINIJYHFEJ-LJQANCHMSA-N 430.570 3.796 0 40 IHAB O=C(CCN1CCN(CC(=O)Nc2ccccc2Cl)CC1)Nc1ccccc1Cl 22912524 PSHDPDMDHNVIDT-UHFFFAOYSA-N 435.355 3.578 0 40 IHAB COc1ccc(NC(=O)NC(=O)COC(=O)c2cc(C)n(Cc3cccs3)c2C)cc1 23034509 YAYQAEPMMUGGCA-UHFFFAOYSA-N 441.509 3.728 0 40 IHAB Cc1cccc2c(=O)n(CCCC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCO4)cnc12 24865192 VAUDRJYWHWFETE-HXUWFJFHSA-N 433.508 3.620 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2nc(C)cs2)cc1OC 24924897 WZVOKIQCYSOPAN-UHFFFAOYSA-N 433.511 3.522 0 40 IHAB Cc1cc(CN2CCN([C@@H](C)c3nc4scc(-c5cccs5)c4c(=O)[nH]3)CC2)no1 24993187 VBVOPJIGINRAMK-AWEZNQCLSA-N 441.582 3.888 0 40 IHAB CS(=O)(=O)N1C[C@@H](C(=O)Nc2cc(Cl)c(Cl)cc2Cl)Oc2ccccc21 30945669 KITSDCGTHUQCGB-HNNXBMFYSA-N 435.716 3.813 0 40 IHAB COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2CCC[C@@]([C@@H](C)OC(=O)C=C(C)C)(C1)[C@H]23 31703152 JJCJKGZUGDPHMN-XRNKBYASSA-N 436.552 3.933 0 40 IHAB biogenic COc1ccc(S(=O)(=O)Nc2nn(Cc3ccc(F)cc3)cc2Cl)cc1OC 32610020 XDXAFFMBIADUMH-UHFFFAOYSA-N 425.869 3.542 0 40 IHAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)S(=O)(=O)c1ccc(Br)cc1 35145919 OVQMQNOLERFVLQ-UHFFFAOYSA-N 442.722 3.973 0 40 IHAB Cc1cc(NC(=O)CSc2nnc3n(Cc4ccc(F)cc4)c4ccccc4n23)no1 35315293 WYFBCRKPUFFJRU-UHFFFAOYSA-N 436.472 3.899 0 40 IHAB COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@]3(c3ccccc3)N3CCCN23)cc1 36073798 RZUJMYKUMLGNIH-CLCZQPDDSA-N 439.515 3.758 0 40 IHAB CCCCn1nc(C)c2c(C(=O)Nc3cnn(Cc4cn(C)nc4C)c3)cc(C3CC3)nc21 36616381 JKTDWOQOQBGTLF-UHFFFAOYSA-N 446.559 3.956 0 40 IHAB NS(=O)(=O)Nc1cccc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1 39558238 AILBGARCSQNRGD-UHFFFAOYSA-N 425.388 3.833 0 40 IHAB O=C(NCc1ccc2c(c1)OCCO2)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 40017317 URDXAYKYRBTUPN-UHFFFAOYSA-N 435.929 3.514 0 40 IHAB COc1ccccc1NC(=O)N1CCC(CNC(=O)c2ccc(Br)o2)CC1 44004909 YAWLEFDERHFDSS-UHFFFAOYSA-N 436.306 3.725 0 40 IHAB Cc1ccc(C)c(N(CC(=O)Nc2ccc(Br)c(C)c2)S(C)(=O)=O)c1 44791231 QPTONLQXTLCRAB-UHFFFAOYSA-N 425.348 3.779 0 40 IHAB COCCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3cc(C)ccc3C)c2c1=O 48988063 NQBMXMIUCGGFAP-UHFFFAOYSA-N 430.508 3.767 0 40 IHAB Cn1c(C(F)(F)F)nn(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1=S 57945590 CVPLLENXVVJGSY-UHFFFAOYSA-N 425.402 3.768 0 40 IHAB Cc1nn(Cc2ccc(C(=O)Nc3cc(-c4ccncc4)n[nH]3)o2)c(C)c1Br 72255815 COMCSRJJXPNGLE-UHFFFAOYSA-N 441.289 3.941 0 40 IHAB O=C(Nc1nccs1)c1cc([C@@H]2CCN(C(=O)Cc3ccncc3)C2)nc2ccccc12 72356123 PVIDZSQSYZDQOJ-QGZVFWFLSA-N 443.532 3.897 0 40 IHAB CC(C)c1nccc(C2CCN(C(=O)[C@H](C)N3CCN(c4ccc(F)cc4)CC3)CC2)n1 95431196 DGUZIBWMPALZAB-IBGZPJMESA-N 439.579 3.656 0 40 IHAB CN(Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1)C1CCN(C(=O)OC(C)(C)C)CC1 95976771 JAGLLGGBGUNWPL-UHFFFAOYSA-N 449.573 3.576 0 40 IHAB COc1ccc(CN2C(=O)N[C@@H](CC(=O)Nc3ccc4c(ccn4CC(C)C)c3)C2=O)cc1 96115397 DYAGZFILGZDRFP-NRFANRHFSA-N 448.523 3.755 0 40 IHAB biogenic Cc1ccc(N2C[C@@H](C(=O)Oc3cccc(N4C(=O)[C@H]5CCCC[C@H]5C4=O)c3)CC2=O)cc1 100398635 RYAFGJQWHNFHMC-BULFRSBZSA-N 446.503 3.633 0 40 IHAB Cc1cc(I)ccc1NC(=O)COC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 102148408 FOFJSDDGHNRDON-IHRRRGAJSA-N 427.282 3.908 0 40 IHAB O=C1CN(C(=O)c2ccc(NC(=O)c3cc(O)nc4ccccc34)cc2)c2ccccc2N1 107746672 KSAUGPHQOYRPKA-UHFFFAOYSA-N 438.443 3.792 0 40 IHAB CCOc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(SC)cc3)CC2)cc1 113955845 ASZKLVWLHCCUTD-UHFFFAOYSA-N 448.610 3.524 0 40 IHAB C[C@H](C(=O)Nc1ccc(Br)cc1F)N(c1cccc(F)c1)S(C)(=O)=O 220477570 JCBYPCHZSXUALT-SNVBAGLBSA-N 433.274 3.521 0 40 IHAB CC[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N(c1cccc(OC)c1)S(C)(=O)=O 220612879 AQROHLDNAMPMKT-QGZVFWFLSA-N 430.448 3.897 0 40 IHAB CCOC(=O)c1cc(NC(=O)c2ccc(N(CC)S(=O)(=O)CC)cc2)ccc1Cl 222402334 UYIZATYDWUZIRI-UHFFFAOYSA-N 438.933 3.945 0 40 IHAB CC[C@H](NC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1)c1ccc2c(c1)CCCC2 223134775 NLJVJUXHVMIMFE-HXOBKFHXSA-N 444.597 3.996 0 40 IHAB CC[C@H](C(=O)NCCOc1ccc2ccccc2c1)N(c1ccccc1)S(C)(=O)=O 223616385 MKULKXGDPXXFLD-JOCHJYFZSA-N 426.538 3.580 0 40 IHAB O=C(NCc1ccc2c(c1)OCO2)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 223975929 UZKJHODJXIMFJT-UHFFFAOYSA-N 444.896 3.800 0 40 IHAB COc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)N(C)Cc3ccccc3F)c2)cc1 224503908 RDBYBFZXTSYFBJ-UHFFFAOYSA-N 442.512 3.932 0 40 IHAB CCc1nccn1-c1cccc([C@@H]2CCCN2C(=O)c2ccc(OCCN(C)C)cc2)n1 257199584 AAAHWCWPZPSPIW-QFIPXVFZSA-N 433.556 3.747 0 40 IHAB CCOC(=O)C1=C(c2ccccc2)NC(=S)N[C@H]1c1cc(Br)ccc1OC 408607995 LKGXJWLJKSSHMM-SFHVURJKSA-N 447.354 3.951 0 40 IHAB CC(=O)c1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)c1 408645547 LYHQXDZNTKUWKG-CQSZACIVSA-N 449.290 3.731 0 40 IHAB COc1cc(CN(C)C[C@H](O)Cn2c(C)c(C)c3ccccc32)ccc1OCCN(C)C 585270851 BVEOJHOEHPYWJD-QFIPXVFZSA-N 439.600 3.700 0 40 IHAB CCN1CCC[C@@H]1CNC(=O)c1ccc2c(c1)CNCCCCCCCN2C(=O)C(C)C 643584227 YKGPQONMONLZJZ-HSZRJFAPSA-N 442.648 3.943 0 40 IHAB Cc1cc(C(=O)N[C@H](c2ccccc2F)[C@H](C)O)nn1-c1ccc(Br)cc1 1639769023 QTRVMJFYMUEYCJ-DJJJIMSYSA-N 432.293 3.934 0 40 IHAB Cc1c(C(=O)OCc2ccccc2)sc2ncn(CC(=O)N3CCCCCC3)c(=O)c12 1980762 BXVLORHZCLUGRP-UHFFFAOYSA-N 439.537 3.526 0 40 IHAB CCCCCc1nc2ccccc2c(=O)n1NC(=O)c1c(O)n(CC)c2ccccc2c1=O 2059159 WCEJPPGTOXJPNS-UHFFFAOYSA-N 446.507 3.554 0 40 IHAB CC[C@H](NC(=O)CCc1c(C)c2cc3c4c(oc3c(C)c2oc1=O)CCCC4)C(=O)O 2096813 ZBVLNKRDDHZZNS-SFHVURJKSA-N 425.481 3.947 0 40 IHAB biogenic COc1ccc(-n2c(N)c(C(=O)NC3CCCC3)c3nc4ccccc4nc32)c(OC)c1 2255025 CHFZDGOTGZHVSG-UHFFFAOYSA-N 431.496 3.846 0 40 IHAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2N)c(Br)c1 2380062 DIXDZCRGKFMGGH-UHFFFAOYSA-N 436.310 3.600 0 40 IHAB C[C@H]1CCc2c(sc3nc(SCC(=O)NC4CC4)n(-c4ccccc4)c(=O)c23)C1 2639672 ANKHTAHIHBEHOT-ZDUSSCGKSA-N 425.579 3.943 0 40 IHAB COc1ccccc1CNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1 3347310 SQAZDPCQQXAITK-UHFFFAOYSA-N 449.507 3.942 0 40 IHAB CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1 8612281 BYZMCABVSZHHKO-QGZVFWFLSA-N 440.521 3.999 0 40 IHAB O=C(C[C@@H]1CCNC[C@@H]1Cc1cc(-c2ccccc2)on1)N1CCN(c2ccccc2)CC1 8623824 MWLJXZIAEBHIIP-GOTSBHOMSA-N 444.579 3.849 0 40 IHAB biogenic,in-vitro Cc1ccc(N2C[C@H](C(=O)Nc3nnc(SCc4cccnc4)s3)CC2=O)cc1 8824639 JYJTXGHWLJXEBU-OAHLLOKOSA-N 425.539 3.525 0 40 IHAB COc1ccc(NC(=O)c2cc(C)n(C3CC3)c2C)cc1S(=O)(=O)N1CCCCC1 8862538 FULDPPYAEMMDDH-UHFFFAOYSA-N 431.558 3.875 0 40 IHAB COc1ccc(NC(=O)Cn2nc(-c3cccs3)c3sc(C)nc3c2=O)c(OC)c1 8955994 NAKQXICRLNTXMG-UHFFFAOYSA-N 442.522 3.546 0 40 IHAB O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)OCC(=O)N1CC[C@@H]2CCCC[C@@H]2C1 9217809 ANWOBIWGDTXUPR-NZQKXSOJSA-N 434.536 3.665 0 40 IHAB CN(CC(=O)NC1CC1)C(=O)CNc1cc(C(F)(F)F)ccc1NC1CCCCC1 9218566 PSACKWKJUJCCED-UHFFFAOYSA-N 426.483 3.599 0 40 IHAB CCOC(=O)c1sc2cccc(F)c2c1COC(=O)Cc1n[nH]c(=O)c2ccccc12 9245204 MMFJNOSJQXNTPD-UHFFFAOYSA-N 440.452 3.740 0 40 IHAB Cc1nn(C)c2c1[C@@H](c1ccc(Cl)cc1)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N2 9252666 LPMHUBRGUGSNFA-MSOLQXFVSA-N 429.307 3.918 0 40 IHAB O=C(Nc1ccnn1C1CCCC1)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 9670458 QQJMVDMNWJUXAG-GHRIWEEISA-N 428.558 3.649 0 40 IHAB Cc1ccccc1Nc1nc(N)nc(CN2C(=O)N[C@@](C)(c3ccc(C(C)C)cc3)C2=O)n1 9847243 JWIYEORSFNDOIE-DEOSSOPVSA-N 445.527 3.596 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)Nc1cc(C(N)=O)ccc1N1CCCC1 9905707 JUXQOHJSIQWXAU-ACCUITESSA-N 429.524 3.840 0 40 IHAB O=C(Cn1nc2c(cc1=O)CCCC2)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 9991917 CZCUPPWWXYWJQU-HXUWFJFHSA-N 436.899 3.746 0 40 IHAB COc1ccc2cc([C@]3(C)NC(=O)N(CC(=O)N4CCC[C@@H]5CCCC[C@@H]54)C3=O)ccc2c1 9992451 VIDLKWSEZOTMTO-CGSPVCNISA-N 449.551 3.797 0 40 IHAB O=C(Nc1nnc(COc2ccc(Cl)cc2)s1)[C@H]1CC(=O)N(C2CCCCC2)C1 10076305 FTZYCRBOIDBRDV-ZDUSSCGKSA-N 434.949 3.890 0 40 IHAB COc1ccc(NC(C)=O)cc1NC(=O)c1cccn(Cc2ccccc2Cl)c1=O 10187785 XAPMWXDKBVEYEQ-UHFFFAOYSA-N 425.872 3.769 0 40 IHAB CCN(CC)C(=O)CN1C(=O)N(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc21 10273016 OBDCFXQPTBVFKW-UHFFFAOYSA-N 435.933 3.652 0 40 IHAB CCN1C(=O)N[C@H](c2cc(Br)ccc2OC)C(C(=O)Nc2cc(C)on2)=C1C 10353458 SVXQKQIAANFBFE-QGZVFWFLSA-N 449.305 3.753 0 40 IHAB COc1cccc(NC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)c1 12248741 YBJXFXXTKJJMNK-UHFFFAOYSA-N 431.470 3.502 0 40 IHAB COC(=O)C1=C(C)N(C2CCCC2)C(=O)[C@]1(NC(=O)CCC1CCCCC1)C(F)(F)F 12402656 SMEQCCPAGPVKSA-NRFANRHFSA-N 444.494 3.996 0 40 IHAB Cc1cccc(C)c1NC(=O)CNC(=O)CSc1nnc(Nc2cccc(F)c2)s1 12598724 UHNSCAUMKCJJPD-UHFFFAOYSA-N 445.545 3.885 0 40 IHAB Cc1oc(=S)n(CN2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)c1C 12758616 LLKINNVITXNPFF-UHFFFAOYSA-N 436.386 3.698 0 40 IHAB CCn1ncc2c(C(=O)Nc3cccc(S(C)(=O)=O)c3)cc(-c3cccs3)nc21 12813485 TZAVBSNBXJKZCF-UHFFFAOYSA-N 426.523 3.836 0 40 IHAB C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccc(Cl)cc1 12926395 MZMNCZSEVYXCNN-ZDUSSCGKSA-N 443.352 3.505 0 40 IHAB CC(=O)c1cc2c(cc1NC(=O)CN1CCC[C@H]1c1ccc3c(c1)OCCCO3)OCO2 12998910 ZNFTUUPFBNVYLM-IBGZPJMESA-N 438.480 3.555 0 40 IHAB CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)OCc1cc(=O)oc2cc3c(cc12)CCC3 13145492 NVJGKLBVQSZLER-VWLOTQADSA-N 433.504 3.708 0 40 IHAB COC(=O)c1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)[nH]2)CCCCC4)cc1 13518680 QSXPMWFVBZINDJ-UHFFFAOYSA-N 443.550 3.771 0 40 IHAB C[C@H](C(=O)NCCSCc1ccc(Cl)cc1)N(c1ccccc1)S(C)(=O)=O 14154210 BTWSGDCWCYRIFA-OAHLLOKOSA-N 426.991 3.544 0 40 IHAB CC(C)(C)c1ccc(OC[C@@H](O)CN2C(=O)N[C@@]3(CCCc4sccc43)C2=O)cc1 14167100 AIFCLJHNHTWDOG-QMHKHESXSA-N 428.554 3.569 0 40 IHAB C[C@H](NCC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)c1ccc(-c2ccccc2)cc1 14183663 PXIKLHWGRJHBGD-CYFREDJKSA-N 440.609 3.963 0 40 IHAB C[C@H]1S[C@@]2(C(=O)Nc3ccccc32)N(c2ccc(C(=O)NCc3ccccc3)cc2)C1=O 16608214 GVQWJQUIHKMDJM-CPJLOUKISA-N 443.528 3.890 0 40 IHAB C[C@@H](OC(=O)C1CCN(C(=O)c2cccs2)CC1)C(=O)N[C@@H]1CCCc2ccccc21 17134400 JDVVKQXLICKDMU-OXQOHEQNSA-N 440.565 3.726 0 40 IHAB CCN1CCN(C(=O)c2ccc(OC)nc2)C[C@H](Cc2ccc(-c3cccs3)cc2)C1=O 19527431 ARMTUVSVKXEWCZ-NRFANRHFSA-N 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COc1cc(-c2noc([C@@H]3CCCN(C(=O)c4ccc(F)cc4)C3)n2)cc(OC)c1OC 1364160 BOIWHVSESLGKHY-OAHLLOKOSA-N 441.459 3.921 0 40 IHAB COCCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@H]1c1ccc(Cl)cc1Cl 2257803 PTMJCYVJVQEGHS-BMIGLBTASA-N 429.325 3.832 0 40 IHAB O=C(N[C@@H](Cc1ccccc1)C(=O)OCC(=O)c1cc(F)ccc1F)c1cccs1 3428394 WTSZXJFLVYJUAV-SFHVURJKSA-N 429.444 3.794 0 40 IHAB Cc1cccc2cc([C@H](c3nnnn3Cc3ccccc3)N3CCC(C)CC3)c(=O)[nH]c12 6444130 YKKCZADJNDCLCP-HSZRJFAPSA-N 428.540 3.693 0 40 IHAB CC(C)CN(CC(C)C)C(=O)COC(=O)CNC(=O)c1sc2ccccc2c1Cl 8629669 COEVJPKSBYTIIB-UHFFFAOYSA-N 438.977 3.968 0 40 IHAB C[C@H]1C[C@H](Nc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2Cl)CC(C)(C)C1 9001566 KJTBTGMIECEPBR-ZFWWWQNUSA-N 429.952 3.752 0 40 IHAB COc1cc(OC)c(-c2nnc3n(Cc4ccccc4)c(=O)c4ccccc4n23)cc1OC 9252078 QJFGOXPRCGJZMS-UHFFFAOYSA-N 442.475 3.785 0 40 IHAB O=C(NC1CC1)c1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c1 9463707 FPGKZVSLEPTKGJ-QGZVFWFLSA-N 425.916 3.723 0 40 IHAB Cc1nnc(S[C@@H](C)C(=O)N2c3ccccc3NC(=O)C2(C)C)n1Cc1ccccc1 9580092 YACHPFIAKRQXAJ-HNNXBMFYSA-N 435.553 3.879 0 40 IHAB CCCn1nnnc1CSc1nnc(COc2ccccc2F)n1-c1ccccc1 9731081 WZHMTNXXHYKSMI-UHFFFAOYSA-N 425.493 3.674 0 40 IHAB O=C(NCCCN1CCCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 10279338 RGYDREIKUQGINC-UHFFFAOYSA-N 442.025 3.511 0 40 IHAB CCOC(=O)c1cccc(NC(=O)CSc2nnc(COc3ccc(C)cc3)o2)c1 10475571 MSFSREZVGKMOLJ-UHFFFAOYSA-N 427.482 3.865 0 40 IHAB O=C(Nc1ccc(F)cc1F)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 11650051 SBFJPHSETADAKT-INIZCTEOSA-N 445.285 3.519 0 40 IHAB O=C1N[C@]2(COC3(CCN(C(=O)C4(c5ccccc5)CCCC4)CC3)C2)Nc2ccccc21 12085438 XHPOVWDAXAROGE-HHHXNRCGSA-N 445.563 3.832 0 40 IHAB CN(C)c1nc2c(c(N3CCC(c4ccncc4)CC3)n1)CN(Cc1ccccc1)CC2 12222366 OZUMEGMFCHAIDV-UHFFFAOYSA-N 428.584 3.880 0 40 IHAB COc1cc(CN2C(=S)NC3(CCCCC3)[C@@H]3CCCC[C@@]32O)cc(OC)c1OC 12322849 ICHRZXLXOHGBFZ-WMZHIEFXSA-N 434.602 3.984 0 40 IHAB COC(=O)c1sccc1S(=O)(=O)NCCCCCc1nc(-c2ccc(C)cc2)no1 12746544 KPLCTMUYTVSXGR-UHFFFAOYSA-N 449.554 3.584 0 40 IHAB CC(=O)c1cccc(OC[C@H](O)Cn2cnc3scc(-c4ccc(F)cc4)c3c2=O)c1 12797525 VIYJOKXSQUWNQV-GOSISDBHSA-N 438.480 3.907 0 40 IHAB COc1ccc(C(=O)Nc2nc(CN3C[C@H](C)O[C@H](C)C3)cs2)cc1Br 12938556 QKQKBZSERXXBQW-TXEJJXNPSA-N 440.363 3.776 0 40 IHAB COC(=O)C[C@@H](NS(=O)(=O)c1ccc(Br)cc1Cl)c1cccs1 13022119 HWUWAQWMZUVFEA-LLVKDONJSA-N 438.752 3.747 0 40 IHAB C[C@H](Sc1ncnc2c1cnn2-c1ccc(F)cc1)C(=O)Nc1ccc2c(c1)OCO2 13295072 WFAMPPWOIGMDGG-LBPRGKRZSA-N 437.456 3.803 0 40 IHAB COc1ccccc1/C=C/C=c1\sc2nc(-c3ccccc3Br)nn2c1=O 13751703 BSDYJQQPUPBINP-LSLGJYKGSA-N 440.322 3.802 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccc(F)cc34)C2)cc1 13944831 RRXFXGZOLDMEFL-QGZVFWFLSA-N 437.471 3.513 0 40 IHAB COc1ccc(N2C[C@@H](NC(=O)C3c4ccccc4Oc4ccccc43)CC2=O)cc1OC 15391572 CJYUVGZOKGVRPA-INIZCTEOSA-N 444.487 3.863 0 40 IHAB CSCC[C@@H](NS(=O)(=O)c1ccccc1C(F)(F)F)c1nnc2ccccn12 15973192 VIZMQSUSCOSFQX-CYBMUJFWSA-N 430.477 3.521 0 40 IHAB C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc2ccccc12 16090623 JHDZLMUOXOCQBX-KRWDZBQOSA-N 444.578 3.664 0 40 IHAB CC(C)C[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)Nc1cccc(C(F)(F)F)c1)C(=O)O 16575046 KFSFYAHTWGOIFD-HZPDHXFCSA-N 431.455 3.857 0 40 IHAB CCOc1ccccc1NC(=O)Cn1cccc(-c2nc(-c3ccc(C)cc3)no2)c1=O 16843475 LRADEAHJFAZKJC-UHFFFAOYSA-N 430.464 3.911 0 40 IHAB O=S(=O)(NC[C@H](c1ccco1)N1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1 17190434 CKEIVNRRGDFCOS-OAQYLSRUSA-N 445.972 3.775 0 40 IHAB O=C(CCCNS(=O)(=O)c1cccc2nsnc12)Nc1ccc2ccccc2c1 19077738 UDDVPEJDLBUPEU-UHFFFAOYSA-N 426.523 3.542 0 40 IHAB O=C1NCCN(C(=O)COc2ccccc2F)C[C@@H]1Cc1ccccc1-c1ccccc1 19374308 ZCWUWPCRTSKNSF-NRFANRHFSA-N 432.495 3.689 0 40 IHAB CCCOc1cc2c(cc1CN1CCC(NC(C)=O)(c3ccc(F)cc3)CC1)OCO2 19503832 WXXPVYMVWIZBJX-UHFFFAOYSA-N 428.504 3.971 0 40 IHAB CCOC(=O)c1cnn2c1N[C@H](C1CCN(C(=O)C3CCCC3)CC1)C[C@@H]2C(F)(F)F 19530950 POXPLCMEOKWNOT-DLBZAZTESA-N 442.482 3.776 0 40 IHAB COc1cccc(C(=O)N[C@@]2(C(F)(F)F)N=C(c3ccccc3)N(C3CCCC3)C2=O)c1 19939569 MBMPXFOIGZZPNP-QFIPXVFZSA-N 445.441 3.915 0 40 IHAB COc1ccc(Br)cc1S(=O)(=O)NCCSCc1ccccc1F 20000937 BUSVRRCQDNDGOA-UHFFFAOYSA-N 434.352 3.809 0 40 IHAB CCN(Cc1ccccc1)C(=O)c1cc(-c2ccc(C)cc2)n([C@@H]2CCS(=O)(=O)C2)n1 20397441 NBWSDPYECNEGRT-OAQYLSRUSA-N 437.565 3.880 0 40 IHAB CC(=O)c1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)CC2)cc1 24769332 DGMPFGUXLXWOMD-VWLOTQADSA-N 441.531 3.709 0 40 IHAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccc(OC[C@H]2CCCO2)cc1)CC3 25451265 ZMUIKQYNLAGFDB-LJQANCHMSA-N 434.492 3.711 0 40 IHAB O=C(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)[C@@H](Cc1ccccc1)n1cnnn1 26923070 YZNHVROMKWHQIY-WIOPSUGQSA-N 436.519 3.887 0 40 IHAB O=C(CCC(=O)N1CCN(C(=O)c2ccccc2F)CC1)c1ccc(Br)cc1 27828404 OTMKOBATXWBRKE-UHFFFAOYSA-N 447.304 3.536 0 40 IHAB O=C(Nc1ccccc1C(=O)c1ccccc1)C1=C(c2ccccc2)S(=O)(=O)CCO1 32087555 RJSSRVSBNCEYEF-UHFFFAOYSA-N 433.485 3.670 0 40 IHAB Cc1ccc(NC(=O)[C@H](C)Sc2nc3cc(Cl)ccc3c(=O)n2C[C@H](C)O)cc1 32672256 DOWHNIQZXMNCJQ-KBPBESRZSA-N 431.945 3.858 0 40 IHAB O=C(/C=C/c1ccc(SC(F)(F)F)cc1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 32903386 LKOINNLJTUQJLN-AUPUMLSVSA-N 449.516 3.506 0 40 IHAB COc1ccc(OC)c(CNC(=O)[C@H]2CCCN(c3ncnc4c3oc3ccccc34)C2)c1 33290506 BJCSJRDDRAIINV-INIZCTEOSA-N 446.507 3.926 0 40 IHAB CC(C)CNC(=O)C1CCN(c2nc3ccsc3c(=O)n2Cc2ccc(F)cc2)CC1 33302391 KJIGCVYZICGBRX-UHFFFAOYSA-N 442.560 3.634 0 40 IHAB O=C(CSc1nnc(-c2ccc(Br)cc2)o1)Nc1ccc(C(=O)O)cc1 33741870 ZRQGFUHBUQIZHP-UHFFFAOYSA-N 434.271 3.928 0 40 IHAB COC(=O)c1ccc(NC(=O)Cn2cnc3c(-c4ccc(C)cc4)csc3c2=O)cc1 38651753 KOFNCCZBWYTEDS-UHFFFAOYSA-N 433.489 3.859 0 40 IHAB CN(Cc1ccco1)C(=O)CSc1nnc(N2CCCC2)n1-c1cccc(Cl)c1 39982443 SMWWMWGXTYRXLP-UHFFFAOYSA-N 431.949 3.865 0 40 IHAB CCc1nnc2ccc(S(=O)(=O)N(Cc3ccc(OC)cc3)c3ccc(F)cc3)cn12 49408551 VHYBIRHVAYTASU-UHFFFAOYSA-N 440.500 3.835 0 40 IHAB O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21)Nc1cc(F)ccc1Cl 57428935 BYVLIOAETSTZMR-UHFFFAOYSA-N 429.860 3.645 0 40 IHAB CN(C)Cc1ccc(CNC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)cc1 65614912 YZLXTBYHJROBQO-HXUWFJFHSA-N 434.367 3.976 0 40 IHAB CCCNC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CN(C(=O)c2ccccn2)CCO1 72389065 BBKHJFRJFSWBSE-HHHXNRCGSA-N 443.547 3.729 0 40 IHAB CCOc1ccc(O[C@H](C)C(=O)N2CCC[C@H](c3cc(C(F)F)n4ncnc4n3)C2)cc1 72395364 DHUQPPNPKSDUIK-CABCVRRESA-N 445.470 3.634 0 40 IHAB O=C(c1ccc(NCCCc2nc(-c3cccs3)no2)cc1Cl)N1CCOCC1 79074912 RYCPIOFSXNDUEF-UHFFFAOYSA-N 432.933 3.969 0 40 IHAB CN(C(=O)CCNC(=O)C(C)(C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1 95453988 OAYWSXSBHQCRQU-SFHVURJKSA-N 431.577 3.829 0 40 IHAB COCCCN1CN(c2ccccc2OC)c2nc(C)c(Cc3ccccc3)c(=O)n2C1 95481385 XUXRQAGPAFMHSG-UHFFFAOYSA-N 434.540 3.556 0 40 IHAB Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cc(F)cc(F)c2F)c2c(N)ncnc21 95557278 JCUSVFKWUQBVHH-UHFFFAOYSA-N 437.425 3.767 0 40 IHAB COc1cccc(NC(=O)c2nc3c(s2)CCN(C(=O)NCc2ccccc2)CC3)c1 96146895 SCHZYWLTEVTOGI-UHFFFAOYSA-N 436.537 3.714 0 40 IHAB Cc1ccc(Cl)cc1S(=O)(=O)N1[C@@H]2CC[C@@H]1CC(S(=O)(=O)c1ccccc1)C2 101322954 VYRRBIDODFDMHZ-IAGOWNOFSA-N 439.986 3.806 0 40 IHAB O=C1C[C@@H](Sc2ccc(NS(=O)(=O)c3ccccc3)cc2)C(=O)N1c1ccccc1 112292710 TXRVWKQQQKQKPP-HXUWFJFHSA-N 438.530 3.912 0 40 IHAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCS[C@H]1c1ccc(OC(F)(F)F)cc1 217644122 NBJQKANFKCBCPK-KRWDZBQOSA-N 447.456 3.793 0 40 IHAB Cc1cccc(N([C@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)S(C)(=O)=O)c1 220149827 WCXJKZSEKNQRFY-YLJYHZDGSA-N 430.570 3.877 0 40 IHAB COc1ccc(N(CCCC(=O)NCCCc2ccccc2Cl)S(C)(=O)=O)cc1 222604978 XXEFOPWMBCIPNA-UHFFFAOYSA-N 438.977 3.644 0 40 IHAB CC[C@@H](C(=O)NCc1cccc2ccccc12)N(c1ccc(OC)cc1)S(C)(=O)=O 222884716 DMTUEUDSDLPRIQ-QFIPXVFZSA-N 426.538 3.709 0 40 IHAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1ccc(OC2CCCC2)cc1 223067519 PKLHCFXAYFFXQD-UHFFFAOYSA-N 446.569 3.838 0 40 IHAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN(C)C)c(C)n1-c1cccnc1 223216252 UNLPSWTWODMRET-PKTZIBPZSA-N 434.613 3.808 0 40 IHAB Cc1cccc(N(CC(=O)NCCOc2ccccc2)S(=O)(=O)c2ccccc2)c1C 223798474 YKQDOPGZPVPFRH-UHFFFAOYSA-N 438.549 3.694 0 40 IHAB CC(C)COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccco3)N3CCOCC3)no2)cc1 223809989 DLOCHQHAZAOPPO-NRFANRHFSA-N 439.512 3.773 0 40 IHAB COc1ccccc1OCC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NC1CCCC1 223867198 CDOWJXJUEFHOMY-QGZVFWFLSA-N 428.504 3.689 0 40 IHAB O=C(Cc1cccc2ccccc12)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1 225819976 BUJJNFVGMIOOGO-UHFFFAOYSA-N 427.504 3.842 0 40 IHAB COc1ccccc1N(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C1=O)[C@@H]1C[C@H]31)C(=O)c1ccccc1C 226399893 HZMFNTWEHUTWIU-FVLVKUNMSA-N 442.515 3.661 0 40 IHAB COc1ccc(CN2C[C@@H]3CN(C(=O)Nc4ccc(F)cc4)CCN3C(C)(C)C2)cc1 253395740 CJDZGOQXLPKJPH-OAQYLSRUSA-N 426.536 3.647 0 40 IHAB biogenic,in-vitro COc1ccc(CC(=O)N2CCO[C@H](c3ccc(Nc4nc(C)cc(C)n4)cn3)C2)cc1C 257241106 HWQIXFGHSPAQFO-QHCPKHFHSA-N 447.539 3.692 0 40 IHAB O=C(Nc1ccccc1)c1cn2c(nc1=O)[C@@H]1CN(Cc3cc(Cl)ccc3F)C[C@@H]1C2 306136562 PXDIWFVVRMOONU-CRAIPNDOSA-N 438.890 3.517 0 40 IHAB O=C(O)CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)C1=O 408593087 OXFJMCUEYAJRDM-VIZOYTHASA-N 439.226 3.689 0 40 IHAB COc1ccc(N(CC(=O)Nc2ccccc2Oc2ccccc2)S(C)(=O)=O)cc1 408617188 IKNRVBDTKOLVSM-UHFFFAOYSA-N 426.494 3.892 0 40 IHAB COc1cccc(NC(=O)COC(=O)CCC(=O)Nc2cccc(Cl)c2Cl)c1 408661205 DWJJOGTUVBEDEX-UHFFFAOYSA-N 425.268 3.903 0 40 IHAB CCc1cccc(CC)c1N1C[C@@H](C(=O)Oc2cccc(N3C(=O)CCCC3=O)c2)CC1=O 408674031 YFGFJYDOARQRHZ-IBGZPJMESA-N 448.519 3.813 0 40 IHAB COc1cc(/C=C(\Sc2n[nH]c(C)n2)C(=O)O)ccc1OCc1cccc(C(=O)O)c1 409193748 LXSSLGYAQHAMAE-ZDLGFXPLSA-N 441.465 3.617 0 40 IHAB Oc1nc(NCc2cc(Cl)ccc2N2CCOCC2)nc2c1cnn2-c1ccccc1 512406753 SZKOMQDGZUGVKW-UHFFFAOYSA-N 436.903 3.623 0 40 IHAB CC[C@@H](NC(=O)Nc1ccc(S(=O)(=O)CC)cc1)[C@H](c1ccc(C)cc1)n1cncn1 533742104 QTXACEMXAZSIED-RTWAWAEBSA-N 441.557 3.570 0 40 IHAB CC1(C)CC(=O)c2cc(NC(=O)[C@@H]3CCCN(C(=O)c4ccc5n[nH]cc5c4)C3)ccc2O1 561037290 BGIOKCGUNCBEJD-MRXNPFEDSA-N 446.507 3.798 0 40 IHAB C[C@](O)(C1CCN(C/C=C/CN2CCC([C@@](C)(O)C(F)(F)F)CC2)CC1)C(F)(F)F 681035218 QALZGXUPMZQXDV-GEWVGOBGSA-N 446.476 3.593 0 40 IHAB COc1cc(C(=O)N2[C@H]3CC[C@H]2CC(n2cc(C(C)(C)C)nn2)C3)cc(OC)c1OC 1775973331 FXYDPNKPGFRKLH-HOTGVXAUSA-N 428.533 3.610 0 40 IHAB CCOc1cc([C@@H]2C(C(=O)OC)=C(C)Nc3ncnn32)ccc1OCc1ccccc1F 724948 BWLHGMWRQVRFDU-OAQYLSRUSA-N 438.459 3.857 0 40 IHAB Cc1nc(N2CCN(C(=O)COc3ccccc3)CC2)c2c3c(sc2n1)C[C@@H](C)CC3 1377118 RJKAZGAUJJWCSB-INIZCTEOSA-N 436.581 3.852 0 40 IHAB Cc1cc(C)c(C)c(OCC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1 1912836 PYFSDCKUIIASFN-UHFFFAOYSA-N 431.539 3.887 0 40 IHAB CCc1cc(=O)oc2c(C)c(OC(=O)[C@@H](CC)NS(=O)(=O)c3ccc(C)cc3)ccc12 2092627 NGPYAHHYZIPJHJ-LJQANCHMSA-N 443.521 3.635 0 40 IHAB biogenic CC[C@H](Sc1nc2c(c(=O)n1-c1ccc(Br)cc1)SCC2)C(=O)OC 2496940 VAHBUGFKRYBKNO-ZDUSSCGKSA-N 441.372 3.687 0 40 IHAB O=C(OCC(=O)c1ccc(Cl)s1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 3251235 LGAVEBCLIDEPBQ-UHFFFAOYSA-N 446.889 3.818 0 40 IHAB O=C(CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)Nc1cccc(Cl)c1Cl 3301373 IRUSMDONORUTNX-INIZCTEOSA-N 431.279 3.576 0 40 IHAB O=C(Nc1nc2ccc(Br)cc2s1)c1ccc2c(=O)n3c(nc2c1)CCC3 3302490 KXTKBLMZOAGFNH-UHFFFAOYSA-N 441.310 3.967 0 40 IHAB Cc1cccc(N(C(=O)c2ccccc2)[C@H]2CS(=O)(=O)C[C@@H]2OC(=O)c2ccccc2)c1 6142361 KGRXKQPYJIBNJG-GOTSBHOMSA-N 449.528 3.664 0 40 IHAB CC(=O)OC[C@]1(C)[C@@H](OC(C)=O)CC[C@@]2(C)[C@@H]1CC[C@@H](C)[C@]21CC[C@]2(COC(=O)C2)O1 8918451 JZNGEGWFNPRYBH-UKBJLZHISA-N 436.545 3.569 0 40 IHAB biogenic CCc1ccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(Cc3ccc(C)cc3)c(=O)n2C)cc1 9158752 UOLURJHTDNHSDW-SFHVURJKSA-N 443.551 3.604 0 40 IHAB CCc1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@@H](C(=O)Nc1ccccc1OC)S2 9239271 RUXIBTQKNSMWBW-ROUUACIJSA-N 429.933 3.900 0 40 IHAB Cn1cccc1Cc1nnc(SCC(=O)Nc2nccs2)n1-c1ccc(F)cc1 9382797 UUICUPGAHZDWJR-UHFFFAOYSA-N 428.518 3.523 0 40 IHAB O=C(CNC(=O)c1sc2ccccc2c1Cl)Nc1ccc(N2CCOCC2)cc1 9469142 FRNZNXMZALLIAZ-UHFFFAOYSA-N 429.929 3.760 0 40 IHAB Cc1ccccc1N1C[C@H](C)Cn2c1nc1c2c(=O)n(Cc2ccccc2Cl)c(=O)n1C 9519329 WGDPMKJGHULNSM-HNNXBMFYSA-N 449.942 3.695 0 40 IHAB COc1cccc(Nc2nnc(SCC(=O)NC(=O)Nc3ccccc3F)s2)c1 9616329 BATFBWMKRUGMQZ-UHFFFAOYSA-N 433.490 3.870 0 40 IHAB CCc1ccc(NC(=O)CSc2nc(=O)n(CCCN(CC)CC)c3c2CCC3)cc1 9745949 TYIUQUQHQSCPGA-UHFFFAOYSA-N 442.629 3.757 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(C)cc2)c2ccc(C)cc2)cc1 10007627 JKFFMAMECOMOPF-UHFFFAOYSA-N 438.549 3.824 0 40 IHAB COc1ccc(N(CC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c(OC)c1 10111874 DOHHDUDGZHYJIG-MRXNPFEDSA-N 448.585 3.645 0 40 IHAB Cc1ccc2c(CC(=O)NCc3ccc(S(=O)(=O)N4CCCC4)s3)coc2c1C 10772679 NLCAEAJIONNUCF-UHFFFAOYSA-N 432.567 3.755 0 40 IHAB Cc1ccc(CN2C(=O)NC3(CCN(C(=O)Nc4ccccc4Cl)CC3)C2=O)cc1 11694139 VFPKQSJHBAMFGF-UHFFFAOYSA-N 426.904 3.767 0 40 IHAB COc1ccc(Br)cc1S(=O)(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 12576911 XXBWDUAXBXIPNR-CYBMUJFWSA-N 436.331 3.683 0 40 IHAB NC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 12596326 ZZEUZEIVCOQDSC-HNNXBMFYSA-N 433.261 3.756 0 40 IHAB C[C@@H](Sc1nnc2c(Cl)cc(Cl)cn12)C(=O)c1ccc(NS(C)(=O)=O)cc1 12604558 DRENCQHKWYDNFI-SECBINFHSA-N 445.353 3.771 0 40 IHAB Cc1c(Cl)cccc1NC(=O)CNC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O 12995839 JWDQLPBKLDBRSO-INIZCTEOSA-N 438.336 3.860 0 40 IHAB CN(CC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)Cc1ccc(Cl)cc1 13030225 DXOZWDODRJAFPZ-UHFFFAOYSA-N 435.977 3.585 0 40 IHAB O=C(CCCCCNC(=O)N1CC(=O)Nc2ccccc21)NCc1ccccc1Cl 13549893 GVUAPDBTMFHMDS-UHFFFAOYSA-N 428.920 3.685 0 40 IHAB O=C(O)c1ccccc1[C@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2ON1c1ccccc1 13759259 VARXRXVMXBPTGE-QHAWAJNXSA-N 432.407 3.575 0 40 IHAB CNC(=O)c1ccc(S(=O)(=O)Oc2ccc3c(=O)c(-c4ccccc4)coc3c2)cc1 14099877 FAAWAUMCTPLHBY-UHFFFAOYSA-N 435.457 3.587 0 40 IHAB Cc1ccc(C(=O)NCC(=O)NCCSCc2ccc(Br)s2)s1 14245986 OLKXSMOYYPDWPG-UHFFFAOYSA-N 433.418 3.660 0 40 IHAB CCc1cccc(C)c1NC(=O)CN(CC)S(=O)(=O)c1ccc(Br)cc1 16162308 FPHGMKKYYRDFCC-UHFFFAOYSA-N 439.375 3.969 0 40 IHAB COc1cc2c(cc1OC)CN(C(=O)CCc1nc(-c3ccc(Cl)cc3)no1)CC2 18230198 GHYUXSGNBFGVKH-UHFFFAOYSA-N 427.888 3.925 0 40 IHAB Cc1cc(-c2cnc3cc(C)nn3c2[C@H]2CCCN(CC(=O)N3CCCCCC3)C2)on1 19124146 RADVYAFKFLGFDD-IBGZPJMESA-N 436.560 3.583 0 40 IHAB Cc1ccc2cc(CN(Cc3cccs3)Cc3nnnn3C(C)(C)C)c3nnnn3c2c1 19234295 KSDFFASMUCCGCU-UHFFFAOYSA-N 447.572 3.591 0 40 IHAB CC(C)N1CCc2nc3cc(C4CCN(C(=O)CCC5CCCC5)CC4)nn3c(O)c2C1 19448141 NKAPUAKCAFASDA-UHFFFAOYSA-N 439.604 3.878 0 40 IHAB COc1ccc(OC)c(CN2CCN(C)C(=O)[C@@H](Cc3ccccc3-c3ccncc3)C2)c1 19589677 SXHOBBLNKWPJRJ-QHCPKHFHSA-N 445.563 3.899 0 40 IHAB O=C(CN1Cc2ccccc2C1)N1CCO[C@H](c2ccc(Cc3ccc(F)cc3)cn2)C1 19692342 SCJHSYFZUBHIGS-VWLOTQADSA-N 431.511 3.727 0 40 IHAB CCCN(CCC)c1nnnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3 19996403 WKSHONMUXZUNAK-UHFFFAOYSA-N 426.590 3.976 0 40 IHAB COc1ccc(S[C@H](C)C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1OC 20107343 GJTJOULNTAEYRJ-HZPDHXFCSA-N 444.553 3.732 0 40 IHAB Cc1cn2c(=O)cc(COC(=O)c3ccc(NC(=O)c4ccccc4F)cc3)nc2s1 21633286 DULIQFMAGUQWCD-UHFFFAOYSA-N 437.452 3.813 0 40 IHAB CCC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OCC)c(C)c1 22247440 OXRHHIXIKJQCDK-WIYYLYMNSA-N 432.586 3.588 0 40 IHAB CCOC(=O)c1ccc(NC(=O)Cn2cnc3c(-c4ccccc4)csc3c2=O)cc1 23126370 YHWHVBRIFIJTFP-UHFFFAOYSA-N 433.489 3.940 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)c3cc(C)ccc3C)C2)cc1 24960053 YVLSMUQXMMDFPV-OALUTQOASA-N 430.570 3.590 0 40 IHAB COc1ccc(OCC(=O)Nc2sc3c(c2C(=O)NCc2cccnc2)CCC3)cc1 27793863 BUICCJBRSCCSGT-UHFFFAOYSA-N 437.521 3.588 0 40 IHAB O=C(Nc1ccc(N2CCCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 31477895 NMYXDGZPGNXBCS-QGZVFWFLSA-N 447.988 3.980 0 40 IHAB O=C(NCc1cn2ccccc2n1)c1ccccc1NS(=O)(=O)c1ccc(Cl)s1 32751590 FBBWJFZDUONLIN-UHFFFAOYSA-N 446.941 3.780 0 40 IHAB CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)cc1 32819059 ZZFJXZANIAIFBR-UHFFFAOYSA-N 437.565 3.747 0 40 IHAB O=S(=O)(Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1)c1ccc(Cl)cc1 35598042 QJBAJRJDSYJPPZ-UHFFFAOYSA-N 442.972 3.858 0 40 IHAB COc1ccc(-c2cc(C(=O)NC[C@H](C)Cn3nc(C)cc3C)c3c(C)nn(C)c3n2)cc1 36613312 LCTYQBNHOUNIMO-HNNXBMFYSA-N 446.555 3.832 0 40 IHAB O=C(N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)[C@H]1COc2ccccc2C1 40107843 GBNHMKCFOIQMPK-IEBWSBKVSA-N 432.442 3.736 0 40 IHAB COCCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nc2ccsc2c1=O 57425699 ABMJPDPFLILDTB-UHFFFAOYSA-N 443.472 3.854 0 40 IHAB CCCn1c(=O)c2ccccc2n(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1=O 57477487 AABMTCTYZNWCIC-UHFFFAOYSA-N 439.821 3.884 0 40 IHAB CCCCN(C)C(=O)CSc1nc2ccsc2c(=O)n1Cc1cccc(OC)c1 57478624 XWXFSUGVIZPAFE-UHFFFAOYSA-N 431.583 3.866 0 40 IHAB O=C1COc2cc(S(=O)(=O)N[C@H](Cc3ccccc3)c3ccccc3)c(Cl)cc2N1 65579093 VDWKGWCHQKHOHV-GOSISDBHSA-N 442.924 3.933 0 40 IHAB COc1ccc(C(=O)N[C@@H](C(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)C(C)C)cc1 69564638 HTKPQOWSGVDGQU-XMMPIXPASA-N 448.567 3.911 0 40 IHAB Cc1nc2cc([C@H]3CCCN3C(=O)C3CC3)nn2c(C)c1CCC(=O)NC1CCCCC1 72351308 VBYUJCLLMMHYMQ-JOCHJYFZSA-N 437.588 3.801 0 40 IHAB Cn1nc(C2CCN(C(=O)c3csc(-c4ccccc4)n3)CC2)n(-c2ccccc2)c1=O 77135524 ASABTNMRHKWSOX-UHFFFAOYSA-N 445.548 3.714 0 40 IHAB COc1ccc(-c2cc(C[C@@H]3CC[C@H](O)[C@@H](CNCc4ccccc4OC)O3)no2)cc1 77263345 FTZUYAYPHPBXMD-WRALFONMSA-N 438.524 3.600 0 40 IHAB biogenic,in-vitro CS(=O)(=O)c1ccc(Br)c(C(=O)Nc2ccc(Oc3ncccn3)cc2)c1 83987660 QMHHMBPNJJKXAA-UHFFFAOYSA-N 448.298 3.687 0 40 IHAB Clc1cnccc1N1CCN(Cc2nc(-c3cc(Br)cs3)no2)CC1 89884904 ZOSVJLJTROOJEX-UHFFFAOYSA-N 440.754 3.931 0 40 IHAB CC(C)(C)OC(=O)NCC1(C(=O)NCCOc2ccc(C(C)(C)C)cc2)CCOCC1 96012259 MFADCECHSKXWLF-UHFFFAOYSA-N 434.577 3.801 0 40 IHAB COc1cccc([C@@H]2[C@H]3C(=O)N(c4cccc(OC)c4)C(=O)[C@H]3ON2c2ccccc2)c1 100935946 NWCVKNREMOYHHI-ZLNRFVROSA-N 430.460 3.755 0 40 IHAB COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)ccc1O 100990996 KGEQGIAXPBGPBH-FSSWDIPSSA-N 434.423 3.591 0 40 IHAB CCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3)N3c4ccccc4C=C[C@@H]3[C@@H]2C1=O 101450443 WZBOSIJWIIQYLD-MBDNFAEBSA-N 449.938 3.964 0 40 IHAB COc1ccc2[nH]c3c(=O)n(Cc4ccc(C(=O)N5CCCC5)cc4)c(=S)[nH]c3c2c1 101497399 NYANMUZXSGPFDB-UHFFFAOYSA-N 434.521 3.833 0 40 IHAB CCN1c2cc(OC)c(OC)cc2C(C)=C(C(=O)N[C@@H](C)c2ccc(C)cc2)S1(=O)=O 219196543 ILJTWKSRPOXJPI-INIZCTEOSA-N 444.553 3.790 0 40 IHAB Cc1ccc(-c2nnc(NC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)s2)cc1 223335124 ADSGFDRSCZUMLT-UHFFFAOYSA-N 428.539 3.550 0 40 IHAB Cc1cc(N(CC(=O)NC(C)(C)CC(C)(C)C)S(C)(=O)=O)ccc1Br 223868054 NLFUQGIPJQXNSR-UHFFFAOYSA-N 433.412 3.855 0 40 IHAB COC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2F)c1 224152707 PGZLYJJLTVDRDE-UHFFFAOYSA-N 442.468 3.690 0 40 IHAB CC(C)Oc1cccc(CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c1 225510987 VFRAKNQJUGYILF-OAQYLSRUSA-N 444.597 3.624 0 40 IHAB Cc1nc(N(C)S(C)(=O)=O)sc1C(=O)N(Cc1ccccc1)Cc1ccccc1 225882382 JLYKQJVBQHRIFB-UHFFFAOYSA-N 429.567 3.690 0 40 IHAB Cc1cc(Cc2ccccc2Cl)cc([C@H]2CN(C(=O)c3cnc(N)nc3C)CCO2)n1 257276702 NUVCLSUOQFJJAU-OAQYLSRUSA-N 437.931 3.529 0 40 IHAB Cc1cccc(N([C@H](C)C(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)S(C)(=O)=O)c1 260588469 JXFCUBQDYBIZPK-XLIONFOSSA-N 430.570 3.877 0 40 IHAB COCCN1CC[C@@]2(CN(Cc3ccc(Cl)cc3)C[C@@H]2c2cn(C(C)C)cn2)C1=O 306125218 CJQSKGUPFAVBAU-OFNKIYASSA-N 430.980 3.582 0 40 IHAB Cc1ccc(N([C@H](C)C(=O)NCCSCc2cccc(Cl)c2)S(C)(=O)=O)cc1 408545759 NYMCUFLSRHSXGB-MRXNPFEDSA-N 441.018 3.853 0 40 IHAB COc1cc(C)c(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1OC 408547831 AFEMSDRPRLVOGM-ODLFYWEKSA-N 426.494 3.996 0 40 IHAB O=C(c1ccc(CN2CCN(c3ccccc3)CC2)cc1)N1CCN(c2ccccc2)CC1 408875838 LSOFPEQQYVUUGC-UHFFFAOYSA-N 440.591 3.971 0 40 IHAB Cc1ccccc1N(CC(=O)NCCSCc1c(F)cccc1Cl)S(C)(=O)=O 409029292 YNBNVMBFMBMFFB-UHFFFAOYSA-N 444.981 3.603 0 40 IHAB COc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3cccc(C)c3)[C@H]2c2ccc(Cl)cc2)cc1 409059515 QEQAYLKJYNJCPV-LMOLPZMTSA-O 448.930 3.673 0 40 IHAB CN(C)S(=O)(=O)c1cccc2c1CCN(C(=O)C1(c3ccc(Cl)cc3)CCCC1)C2 557125788 HJCRODFKKCICLM-UHFFFAOYSA-N 447.000 3.987 0 40 IHAB Cc1cc(C)nc(N2CCC3(CC2)Cc2ccccc2CN(Cc2cccnc2)C3=O)n1 585105781 LMCCUMNSPOZXHD-UHFFFAOYSA-N 427.552 3.860 0 40 IHAB COc1cc(OC)cc(C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2cccc(F)c2)c1 3223978 KLZJEVBFJQIMGP-UHFFFAOYSA-N 448.450 3.786 0 40 IHAB O=S(=O)(Nc1cc(Cl)ccc1N1CCOCC1)c1ccc(OC(F)(F)F)cc1 3435270 FXDARMIBKPEGHL-UHFFFAOYSA-N 436.839 3.876 0 40 IHAB CCCn1c(=O)c2ccccc2n2c(S[C@H](C)C(=O)NCCC3=CCCCC3)nnc12 3452374 YGHGRQBUAUBETP-MRXNPFEDSA-N 439.585 3.942 0 40 IHAB CSc1cccc(NC(=O)COC(=O)c2ccccc2I)c1 3567354 VAJPHMNJGGRMSH-UHFFFAOYSA-N 427.263 3.809 0 40 IHAB Cc1cc(C)c2c(-c3ccccc3)nc(SCC(=O)Nc3ccc(C(N)=O)cc3)n2n1 8746488 JXBNZYZJDOMRRN-UHFFFAOYSA-N 431.521 3.843 0 40 IHAB Cc1ccc(N2C[C@H](C(=O)Nc3nnc(SCc4ccccn4)s3)CC2=O)cc1 8824642 LCERDRNIALASDL-CQSZACIVSA-N 425.539 3.525 0 40 IHAB CNC(=O)c1c(NC(=O)c2nc(SC)ncc2Br)sc2c1CCCC2 8915227 ZGTUEFIKSMYQGB-UHFFFAOYSA-N 441.376 3.513 0 40 IHAB COCCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1-c1c[nH]c2ccccc12 9382328 IVTYOCZUCRXFEF-UHFFFAOYSA-N 437.525 3.812 0 40 IHAB O=C(CSc1nnnn1Cc1cccs1)Nc1nc2c(F)c(F)c(F)cc2s1 9461389 VUZWJNJIHZVHQC-UHFFFAOYSA-N 442.473 3.541 0 40 IHAB COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)Nc1ccccc1C(F)(F)F 9491474 JAFQLVAJBDHORO-UHFFFAOYSA-N 429.826 3.876 0 40 IHAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)O[C@H](C)C(=O)Nc1ccc2c(c1)OCO2 9666626 URFRVXZQFJAWOL-CQSZACIVSA-N 441.871 3.806 0 40 IHAB CCn1c2ccccc2c2nnc(SCC(=O)Nc3nnc(C(F)(F)F)s3)nc21 9667797 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CCOc1cc(CN(C(=O)CNC(=O)NCc2ccccc2)C2CC2)ccc1OC(F)F 12937179 UBKICUHRMWNIPV-UHFFFAOYSA-N 447.482 3.677 0 40 IHAB CN(Cc1ccc2c(c1)OCCO2)C(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1 13164641 MLGDGEFUTWUSDG-UHFFFAOYSA-N 436.537 3.667 0 40 IHAB Cc1ccccc1C(=O)N1CCC(C(=O)O[C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)CC1 13227312 JBBICJCZWHMEMB-FAGZOMQFSA-N 428.573 3.720 0 40 IHAB COc1cc([C@H](c2nnnn2Cc2ccc(F)cc2)N2CCc3ccccc3C2)ccc1O 13496281 KFBLJMDBHJWXPW-XMMPIXPASA-N 445.498 3.722 0 40 IHAB CCc1nc2sc3c(c2c2nnc(SCC(=O)Nc4cc(C)on4)n12)CCCC3 13499917 LMMGVIFEAQEJNM-UHFFFAOYSA-N 428.543 3.807 0 40 IHAB COC(=O)[C@@H](CC(=O)c1cccc(OC)c1)c1cc(=O)oc2cc(OC)c(Cl)cc12 13691008 DOVMPEAQJDNNEP-INIZCTEOSA-N 430.840 3.993 0 40 IHAB O=C(NCc1ccc(N2CCCC2=O)cc1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 14128726 JVUQESJIOGEZJI-UHFFFAOYSA-N 437.503 3.991 0 40 IHAB O=C(Nc1cccc(-n2cnnn2)c1)c1cc(Br)c(Br)s1 14392860 MNDBFVCOAOTZJR-UHFFFAOYSA-N 429.097 3.501 0 40 IHAB CCc1ccc(OCC(=O)NC(=S)Nc2ccc(Br)cc2C(=O)O)cc1 16161988 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0 40 IHAB Cc1cc(C)c(N(CC(=O)Nc2ccc(Br)cc2)S(C)(=O)=O)c(C)c1 22380550 UOUQFCFCBLWXMS-UHFFFAOYSA-N 425.348 3.779 0 40 IHAB CCOc1ccc(NC(=O)C(=O)NC[C@H](c2ccco2)N2CCc3ccccc3C2)cc1 22907524 WMZHQTVJDDOBMV-JOCHJYFZSA-N 433.508 3.533 0 40 IHAB CCCc1nnc(SC[C@H](O)COc2ccc(-c3ccccc3)cc2)n1CC(=O)O 25067075 QGZRIGIUWIGMPC-GOSISDBHSA-N 427.526 3.514 0 40 IHAB CN(C)[C@@H](CNC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1)c1ccccc1Cl 25377664 ZKKRIEWIBCHXAQ-FQEVSTJZSA-N 446.956 3.940 0 40 IHAB C[C@H](Sc1nnc(N2CCCC2)n1Cc1ccco1)C(=O)N1c2ccccc2C[C@H]1C 25944879 IFACDECLFLQXPL-SJORKVTESA-N 437.569 3.978 0 40 IHAB COc1ccc(CN(C)S(=O)(=O)c2ccc(SC)c(C(=O)N3CCCCC3)c2)cc1 26116905 JLKZKVHUWALOQG-UHFFFAOYSA-N 448.610 3.864 0 40 IHAB COC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-n1cccc1 27546050 PQTDZUVIEJNMAV-UHFFFAOYSA-N 447.520 3.884 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCc3ccc(-n4ccnc4)cc3)c2)cc1 30751682 VHYAONLMTPAXTB-UHFFFAOYSA-N 446.532 3.912 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(Cn3ccnc3C)cc2)cc1 30939271 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CSc1cccc(NC(=O)Cn2c(=O)n(-c3ccccc3C)c(=O)c3sccc32)c1 57489755 ZYEYMAINIFKOAE-UHFFFAOYSA-N 437.546 3.883 0 40 IHAB Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc(C)c(F)c3)c2=O)c(C)c1 57493003 KVZOIUQOAHHIBF-UHFFFAOYSA-N 437.496 3.917 0 40 IHAB COc1ccc(F)cc1COC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC(C)C 57958149 BKBKFUMYNUCDDV-XMMPIXPASA-N 440.471 3.513 0 40 IHAB O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)[C@H]1COc2ccccc2O1 58161193 SEUHEICCJKKXIX-RUZDIDTESA-N 429.520 3.787 0 40 IHAB CCC[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2cc3c(cc2Br)OCCO3)C1 58312343 WCDUNZXTKJKEQM-HUUCEWRRSA-N 425.367 3.737 0 40 IHAB CCc1oc(C(=O)NC2(c3ccc4c(c3)OCO4)CCCC2)cc1CN1CCOCC1 72346541 XXCOLLUOPWSPAC-UHFFFAOYSA-N 426.513 3.602 0 40 IHAB Cc1cc(C)n(CCCC(=O)N2CCNC(=O)[C@@H]2Cc2cccc(-c3ccccc3C)c2)n1 72351922 PSGLQJZUXGALSP-VWLOTQADSA-N 444.579 3.825 0 40 IHAB Fc1ccc(OCCCN2CCC([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)CC2)cc1 72395708 ASQJAWCKUWFILF-ZWKOTPCHSA-N 427.446 3.886 0 40 IHAB CC(=O)Nc1ccc(C)c(S(=O)(=O)NCCc2nc(-c3ccccc3)c(C)s2)c1 79062547 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MAETZWBGAQITIE-UHFFFAOYSA-N 446.550 3.838 0 40 IHAB COc1cccc(CN(C)C(=O)c2cccc(S(=O)(=O)N(C)c3ccc(F)cc3)c2)c1 224490600 BFPMQXXCPLKAPE-UHFFFAOYSA-N 442.512 3.932 0 40 IHAB COC(=O)c1cc(S(=O)(=O)NCCSCc2cccc(Cl)c2)ccc1Cl 224511452 UPPWIRIACSNCHA-UHFFFAOYSA-N 434.366 3.992 0 40 IHAB CCN(c1ccc(C(=O)NCc2ccccc2CN2CCCCC2)cc1)S(=O)(=O)CC 224848171 WTHIKZLJTTVLOO-UHFFFAOYSA-N 443.613 3.779 0 40 IHAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CC)cc1Cl 225205291 KTOMGQNSLPLTDC-UHFFFAOYSA-N 436.917 3.617 0 40 IHAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)COc1ccccc1F 225570538 OGPDHKFPRJNXFD-HSZRJFAPSA-N 434.511 3.899 0 40 IHAB O=S(=O)(c1ccc2ccccc2c1)N1CC[C@H](Oc2ncccc2Br)C1 238851527 JKASRTDHJZJAGU-INIZCTEOSA-N 433.327 3.839 0 40 IHAB CCCNC(=O)Cc1c(C)nc([C@@H]2CCCN(C(=O)[C@@H](C)c3ccc(C)cc3)C2)nc1C 257256208 KKMIVVDQNRMJPB-PGRDOPGGSA-N 436.600 3.980 0 40 IHAB CCn1c(CN2CCO[C@H](c3cc(CCOc4ccccc4)n(C)n3)C2)nc2ccccc21 257262046 LJUZTZOXFAXSFJ-VWLOTQADSA-N 445.567 3.985 0 40 IHAB O=C(c1ccccc1CN1CCOCC1)N1CCC[C@@H](Cc2cccc3nccn23)CC1 257298640 RMRQMBTYVCHTJT-OAQYLSRUSA-N 432.568 3.652 0 40 IHAB O=C(NCCn1nc([C@H]2CCCN(Cc3cccc(F)c3F)C2)c2cccnc21)C1CC1 257325215 WRYUOUNQTBWKME-SFHVURJKSA-N 439.510 3.615 0 40 IHAB CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)cc1 408559502 VQJMDHKAVBSACE-UHFFFAOYSA-N 444.553 3.989 0 40 IHAB CCCCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2N2CCN(C)CC2)cc1 408569779 PWOARSGPDRDZHW-UHFFFAOYSA-N 425.529 3.656 0 40 IHAB COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)c1 408590099 JDAALXMVBQSDDL-UHFFFAOYSA-N 426.494 3.822 0 40 IHAB O=C(NCc1ccc(F)cc1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 408614729 GWUNTPSYOZGDNC-SFHVURJKSA-N 431.467 3.747 0 40 IHAB CCOC(=O)COc1ccc2ccccc2c1/C=C(\Sc1nnc(CC)o1)C(=O)O 408631329 HPTDDXQNWGMIAV-BOPFTXTBSA-N 428.466 3.945 0 40 IHAB Cc1cccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC[C@H](C)C[C@H]4C3=O)c2)c1 408657737 HNQKIYQHXYHKKP-ZLGUVYLKSA-N 434.492 3.716 0 40 IHAB COc1ccc(Cl)cc1NC(=O)COC(=O)CCCC(=O)Nc1cccc(C(C)=O)c1 408661663 GNUVWWZGMBUBND-UHFFFAOYSA-N 446.887 3.842 0 40 IHAB CC(=O)Nc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(C)c(Cl)c2)cc1 408667823 RKLOVZSWFIKRIU-UHFFFAOYSA-N 445.903 3.898 0 40 IHAB CCOc1cc(/C=C2/NC(=O)N(C)C2=O)c(Br)cc1OCc1ccccc1 409189632 LXRSOUISGKBAPJ-CXUHLZMHSA-N 431.286 3.949 0 40 IHAB Cc1cc(C)c(NC(=O)CSc2nnc([C@@H](C)NC(=O)c3ccccc3)n2C)c(C)c1 409332663 QVYGJIYODFHOPB-QGZVFWFLSA-N 437.569 3.962 0 40 IHAB Cc1cccc([C@@H]2CCCN2C(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)c1 500856996 FSCYXQWAHMHYGK-QHCPKHFHSA-N 426.605 3.566 0 40 IHAB CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2cc(-c3ncco3)ccc2C)cc1 535399880 ILVABBLHKPXHOW-UHFFFAOYSA-N 449.554 3.993 0 40 IHAB COc1ccc(OC)c(-c2cc(C(=O)NCCn3nc(C)c(-c4ccco4)c3C)n(C)n2)c1 575614946 LLKBMDIXJHRESG-UHFFFAOYSA-N 449.511 3.608 0 40 IHAB Cn1nc(-c2cccs2)cc1C(=O)N1CC[C@@H](c2ccccc2Cl)S(=O)(=O)CC1 575617388 OTTKRPIAXVUNOK-IBGZPJMESA-N 449.985 3.804 0 40 IHAB CCN1CCN(C(=O)c2cncc(O)c2)C[C@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 618016923 KKYXIHREPHQDAQ-NRFANRHFSA-N 447.510 3.757 0 40 IHAB Cn1cc(-c2ccc3c(c2)OCC[C@H]2CN(C(=O)c4ccccc4)CC[C@H]2CC(=O)N3)cn1 1534646956 YBNSGBPUSXUCNF-SFTDATJTSA-N 444.535 3.977 0 40 IHAB C=CC(=O)N1CCC(C(=O)N2CCN(c3cccc(C)c3C)CC2)(c2ccccc2)CC1 1540520394 SCQOAMRDLPMSOO-UHFFFAOYSA-N 431.580 3.698 0 40 IHAB Cc1cc2n(n1)C1(CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC1)CC(=O)N2CC1CC1 1772596483 LACQAUKBWSVKKI-UHFFFAOYSA-N 446.473 3.989 0 40 IHAB COc1ccc([C@H](C)N=c2[nH]nc(-c3ccc(-n4cnc(C)c4)c(OC)n3)cc2C)cc1 1857524121 LUJVPGJMVNXPHO-KRWDZBQOSA-N 430.512 3.953 0 40 IHAB CC(C)(C)c1cn2nc(OCC3CCN(C(=O)c4onc5c4CCCC5)CC3)ccc2n1 1888909539 TWIPDWUZTQBQDA-UHFFFAOYSA-N 437.544 3.825 0 40 IHAB CO[C@@H]1CCN2C[C@@H]1CCCCN(Cc1scnc1C)CCOc1cccc(c1)C2=O 2037980766 HTPBMNNPTRXQBS-RBBKRZOGSA-N 443.613 3.994 0 40 IHAB COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C(=O)NCc2ccco2)C(C)C)cc1 846201 YARUPLLRZRBPCJ-JOCHJYFZSA-N 449.507 3.611 0 40 IHAB O=C(CSc1nc2sc3c(c2c(=O)[nH]1)CCC3)Nc1ccccc1Br 907893 RVVFOFIYTPZLFK-UHFFFAOYSA-N 436.356 3.967 0 40 IHAB COc1ccc2[nH]c(=O)c(CN(Cc3cccs3)S(=O)(=O)c3ccccc3)cc2c1 918226 AKRWJUNSSMOHJK-UHFFFAOYSA-N 440.546 3.989 0 40 IHAB CCOC(=O)C1=NN(c2ccc(Br)cc2)C=C(CCO)[P@]1(=O)OCC 2320287 LRXXZGISQDSUIP-VWLOTQADSA-N 431.223 3.684 0 40 IHAB CCOC(=O)C[C@@H](NC(=O)c1cc2c(=O)n3cccc(C)c3nc2s1)c1ccc(C)cc1 2498401 SHSDNEHFMXFENQ-GOSISDBHSA-N 449.532 3.950 0 40 IHAB C[C@@H](OC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)C(=O)N(C)c1ccccc1 3482392 AFIZJWPJJYPHGX-MRXNPFEDSA-N 428.444 3.696 0 40 IHAB Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)cc1S(=O)(=O)N1CCOCC1 3559602 RGLPFELJKFOENC-UHFFFAOYSA-N 436.533 3.935 0 40 IHAB C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nnc(CN3CCCCC3)n2-c2ccccc2)C1 7318564 ITADOXXYGXCXFU-RTBURBONSA-N 427.618 3.850 0 40 IHAB COc1ccc2[nH]cc(CCN3C(=O)[C@H](CCC(=O)Nc4cc(C)cc(C)c4)N=C3O)c2c1 8765189 FTQSFYSYKAJJSV-QFIPXVFZSA-N 448.523 3.880 0 40 IHAB biogenic CCc1ccc(-c2nn(CC(=O)Nc3ccc4c(c3)OCO4)c(=O)c3nc(C)sc23)cc1 8956079 BENUBFZQORGSLU-UHFFFAOYSA-N 448.504 3.758 0 40 IHAB COc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2cccc(C)c2)cc1Cl 9238571 FALAYEGCSNZECF-MSOLQXFVSA-N 429.933 3.955 0 40 IHAB O=C(COCC(=O)N(c1ccccc1)c1ccccc1)N1CCN(c2ccccc2)CC1 9355382 IVDIPFCQIVMOEC-UHFFFAOYSA-N 429.520 3.717 0 40 IHAB Cc1cc(NC(=O)CSc2nnc([C@H]3COc4ccccc4O3)o2)n(-c2ccccc2)n1 9480957 XYUGEQSAELGCPQ-GOSISDBHSA-N 449.492 3.807 0 40 IHAB O=C(C[C@@H]1CCS(=O)(=O)C1)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 9533624 QECBBJOWANBYEZ-YJBOKZPZSA-N 430.957 3.894 0 40 IHAB CC(=O)N1C[C@@H](C(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2)Oc2ccccc21 9593266 QRACRHRYZWOLTI-QHCPKHFHSA-N 429.476 4.000 0 40 IHAB COc1ccccc1C(c1c(O)[nH]c2ccccc2c1=O)c1c(O)[nH]c2ccccc2c1=O 9698237 SUYMEUIKIXSZTL-UHFFFAOYSA-N 440.455 3.970 0 40 IHAB biogenic CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc3cc4c(cc3s2)OCO4)cc1 9832504 FQIIDCQEPTWQFZ-UHFFFAOYSA-N 447.538 3.698 0 40 IHAB O=C(NCCCN1CCc2ccccc21)c1ccc(NS(=O)(=O)c2ccccc2)cc1 10112625 DEKZGTZVWBRXSO-UHFFFAOYSA-N 435.549 3.670 0 40 IHAB COc1cc(NC(=O)CSc2nccn(-c3cc(C)cc(C)c3)c2=O)cc(OC)c1 10272564 MLMPZXABFVMNQU-UHFFFAOYSA-N 425.510 3.597 0 40 IHAB C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N(C)Cc3nc4ccccc4s3)cc2)C1 10286163 KQBAKPXVHZNKLR-INIZCTEOSA-N 443.594 3.989 0 40 IHAB CC(C)NS(=O)(=O)c1ccc(NC(=O)CCCC(=O)OCCCc2ccccc2)cc1 12137542 MXFWHRKQWIBMIU-UHFFFAOYSA-N 446.569 3.658 0 40 IHAB CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)c1cc2c(s1)CCCCC2 12599333 ONZVEURFXPJSJA-UHFFFAOYSA-N 441.553 3.933 0 40 IHAB O=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)c1ccc(OC(F)(F)F)cc1 12780411 RQGUJMDODZVXSB-UHFFFAOYSA-N 442.459 3.690 0 40 IHAB O=C(CSc1ccccc1C(=O)N1CCN(C/C=C/c2ccccc2)CC1)N1CCCC1 12812685 FLUQSXOGUFUEJC-DHZHZOJOSA-N 449.620 3.872 0 40 IHAB CC(C)(C)c1ccc(OC[C@@H](O)CN2C(=O)N[C@](C)(c3ccc4c(c3)CCC4)C2=O)cc1 12922074 ZHVJKNLCKXISMY-HFZDXXHNSA-N 436.552 3.680 0 40 IHAB Cc1ccc(NC(=O)CN2CCC(C(=O)N3CCCCCC3)CC2)cc1Br 12943623 OVFBIEODDPPLSZ-UHFFFAOYSA-N 436.394 3.811 0 40 IHAB CCCCCCn1nc(C(=O)O[C@H](C)C(=O)NCc2cccs2)c2ccccc2c1=O 12998389 IOQCNDKKXAJGFJ-MRXNPFEDSA-N 441.553 3.900 0 40 IHAB CCC(C)(C)n1nnnc1[C@@H](C(C)C)N(CCCO)Cc1cc2ccc(C)cc2[nH]c1=O 13498569 YOHFRXJDDDOEQW-OAQYLSRUSA-N 440.592 3.550 0 40 IHAB COc1ccc(OC)c([C@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccccc2)n3C)c1 13567466 YNGNSNZXENINTD-QGZVFWFLSA-N 437.521 3.564 0 40 IHAB O=C(CSc1nnc2ccc(-c3ccc(Br)cc3)nn12)NCc1ccco1 15391421 PTTXTTAVTOGTHP-UHFFFAOYSA-N 444.314 3.555 0 40 IHAB Cc1ccc2oc(C(=O)N(Cc3cccc(Cl)c3)[C@@H]3CCS(=O)(=O)C3)cc(=O)c2c1 15831134 WDOCCDXXUSBRIY-QGZVFWFLSA-N 445.924 3.584 0 40 IHAB Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2[C@@H]2CCCN21 16001745 UOUDTJKJGXFWJA-PBQROFAYSA-N 449.938 3.696 0 40 IHAB O=S(=O)(c1ccc(SCc2nc(-c3ccc(F)cc3)no2)nc1)N1CCCCC1 16679222 BSQRQKPKDQRHRL-UHFFFAOYSA-N 434.518 3.738 0 40 IHAB CC(C)(N)C(=O)N1CCC[C@H](c2cc(Nc3cccc(F)c3)nc(-c3cccnc3)n2)C1 19080894 MQTACOGDGOIVKV-KRWDZBQOSA-N 434.519 3.865 0 40 IHAB CCCN1CCN(C(=O)c2cn(C)cn2)C[C@@H](Cc2ccccc2-c2ccccc2)C1=O 19503216 FTCRZINGNIVTDO-JOCHJYFZSA-N 430.552 3.640 0 40 IHAB COc1cccc([C@@H]2CN(Cc3cccc(Oc4ncccn4)c3)C[C@]23CCCC(=O)N3)c1 19566068 JYFJMKKVTOHUIH-JYFHCDHNSA-N 444.535 3.916 0 40 IHAB CSCC[C@@H](NC(=O)c1c(C)n(C)c2ccccc12)c1cc(=O)[nH]c(-c2cccnc2)n1 19581767 RAJIVAHMJYPPJR-GOSISDBHSA-N 447.564 3.856 0 40 IHAB Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@H](c2ccc(-c3ccc(N)nc3)cn2)C1 19689285 MYNBOTTUTADQAE-SFHVURJKSA-N 426.517 3.742 0 40 IHAB CCOc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3)C2)c1 19866679 PNNUYSHDHZWXCI-QGZVFWFLSA-N 436.961 3.919 0 40 IHAB CC(C)Oc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc1 20104175 NLUZNBNHLFLYRV-UHFFFAOYSA-N 436.961 3.842 0 40 IHAB CC[C@@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1Cl)C(=O)OC 20721355 JLTFFELJKDPHEW-DPZKZMLUSA-N 439.343 3.961 0 40 IHAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc(-c3nc4ccccc4o3)cc1)C2=O 22283667 MKBRMXLSXVLYMV-IZHWHUGBSA-N 432.480 3.934 0 40 IHAB Cc1ccc([C@H](C)NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)c(C)c1 22332074 UKHGZFQEPJOWAT-HNNXBMFYSA-N 439.375 3.709 0 40 IHAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)CC1 22521753 HLSHHKCIKHQGNC-UHFFFAOYSA-N 442.368 3.636 0 40 IHAB C[C@@H](OC(=O)c1ccc(Cl)c(N2CCCC2=O)c1)C(=O)N1CCCc2ccccc21 26412981 JTRWOYVYTLFPJX-OAHLLOKOSA-N 426.900 3.992 0 40 IHAB CC1CCN([C@H](CNC(=O)CN2C(=O)COc3ccc(Cl)cc32)c2cccs2)CC1 27575446 MODCBIADEMJZPC-GOSISDBHSA-N 447.988 3.716 0 40 IHAB C[C@@H](C1CC1)N(C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br)C1CC1 32814632 TWXOBWDZTJTDFW-ZDUSSCGKSA-N 441.391 3.637 0 40 IHAB COc1ccc(Br)cc1C(=O)CCC(=O)N(C)C[C@H]1COc2ccccc2O1 33024148 QRGHLDDLDYQVKT-HNNXBMFYSA-N 448.313 3.719 0 40 IHAB CC(C)n1c(SCC(=O)NCc2ccco2)nnc1-c1ccc2c(c1)OCCCO2 33087540 ZQKWVGOEXJFDNK-UHFFFAOYSA-N 428.514 3.689 0 40 IHAB CC1CCC(NC(=O)COC(=O)[C@H]2CCCC[C@H]2C(=O)N2CCc3ccccc32)CC1 39639712 KSJOLOPKRGCWDJ-HXJFWZBSSA-N 426.557 3.620 0 40 IHAB Cc1cc2nc(COc3ccc(NC(=O)COc4ccc(C)c(C)c4)cc3)cc(=O)n2o1 41085686 SKGKAMBKRGCVDX-UHFFFAOYSA-N 433.464 3.809 0 40 IHAB Cc1csc2nc(COc3cccc(NC(=O)COc4ccccc4F)c3)cc(=O)n12 41085728 XAILBJRRSFDMDA-UHFFFAOYSA-N 439.468 3.800 0 40 IHAB Cc1cc2nc(COC(=O)c3ccc(C)c(NC(=O)c4cccc(F)c4)c3)cc(=O)n2o1 41089576 CXFMCWLLOVZWDE-UHFFFAOYSA-N 435.411 3.653 0 40 IHAB CCCN1CCc2nc(-c3ccccc3)n(CC(=O)Nc3cc(C)ccc3OC)c(=O)c2C1 49400694 ISTSUOUQDXEVTN-UHFFFAOYSA-N 446.551 3.634 0 40 IHAB COc1ccc2c(c1)CCN=C2C[C@H]1CN(C(=O)c2ccc(F)cc2)CC[C@H]1CC(=O)O 49590454 JXZHJOUFVNDHSE-HKUYNNGSSA-N 438.499 3.823 0 40 IHAB biogenic,in-vitro COc1ccccc1N1CCN([C@@H](CNC(=O)c2ccc(F)cc2)c2cccnc2)CC1 56896209 UBHSDGGRSCYUEY-QHCPKHFHSA-N 434.515 3.523 0 40 IHAB COc1cccc(-c2nccc3ccn(CC(=O)NCCOc4ccccc4OC)c23)c1 57773851 PCGXFXJYLQZEBM-UHFFFAOYSA-N 431.492 3.916 0 40 IHAB CC(=O)Nc1c(C)cccc1-c1nnc(SCC(=O)Nc2cc(F)cc(F)c2)nc1O 64774842 AAPUHGZOWVTNFV-UHFFFAOYSA-N 445.451 3.520 0 40 IHAB COc1cc2c(cc1-c1nnc(SCC(=O)Nc3ccccc3F)n1C)OCCCO2 64986931 PGUPCTUTUXWGBH-UHFFFAOYSA-N 444.488 3.522 0 40 IHAB O=C(COc1ccccc1F)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O 69297852 YDEWATIQWQSOTA-GZTJUZNOSA-N 434.876 3.711 0 40 IHAB CCN1CC[C@]2(CCC1=O)C[C@H](NC(=O)CCn1ncc3ccccc31)c1ccccc1O2 72327832 LJJIACRSOUJVMC-HFZDXXHNSA-N 446.551 3.838 0 40 IHAB O=C(CN1CCC(n2c(=O)oc3ccc(Cl)cc32)CC1)N1CCCc2ccccc21 72347884 UWEVFTKQHLDCHG-UHFFFAOYSA-N 425.916 3.864 0 40 IHAB COc1cccc(NC2=NC(=O)S/C2=C\c2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)c1 72401504 PGPRIQRGRSAQGR-YQYFLZKSSA-N 446.554 3.586 0 40 IHAB COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c(OC)c1OC 89435052 NWBGVUMWIHMSNF-UHFFFAOYSA-N 448.541 3.529 0 40 IHAB Cc1cc(C)n2nc(C(=O)N3CCC[C@@H](Cc4nc(C5CCCCCC5)no4)C3)nc2n1 89595927 BEZFJCHCZAMCBF-KRWDZBQOSA-N 437.548 3.657 0 40 IHAB CCOC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N(CC)C(=O)[C@@H](C)S(=O)(=O)C(C)C 89960796 JKSPPFLYESLBCL-MLGOLLRUSA-N 438.373 3.658 0 40 IHAB C[C@]12CC[C@@H]3c4ccc(Oc5nc(N6CC6)nc(N6CC6)n5)cc4CC[C@@H]3[C@@H]1CCC2=O 90649733 JCBUOSRYPMXDEE-LWIATZKVSA-N 431.540 3.729 0 40 IHAB O=C(c1c2c(-c3cccnc3)ncnc2n2ccccc12)N1CCN(c2ccccc2)CC1 96146675 XEUIBDXCIAJFSM-UHFFFAOYSA-N 434.503 3.907 0 40 IHAB CC(C)N1CCc2c(nc3cc([C@H]4CCCCN4C(=O)c4cccc(F)c4)nn3c2O)C1 100234053 VPCVHVHXQFCGIY-OAQYLSRUSA-N 437.519 3.708 0 40 IHAB Cc1cccc(C)c1N1C(=O)[C@H]2N=NN(CC(=O)Nc3ccc(Cl)c(Cl)c3)[C@@H]2C1=O 102001397 CJBHGYLPCXQRCN-WMZOPIPTSA-N 446.294 3.542 0 40 IHAB C[C@@H](NC(=O)CN(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc2c(c1)CCCC2 104740712 AWKDYEOKDJIXMV-QZTJIDSGSA-N 428.598 3.839 0 40 IHAB C[C@H](c1ccccc1)N1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccc(F)cc3)cc2C1=O 111880033 ZTESNGCQVIOFDN-OAHLLOKOSA-N 446.434 3.978 0 40 IHAB CCOc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2c(CC)cccc2CC)CC1=O 111881051 NKHVBNDJKONEIK-LJQANCHMSA-N 438.524 3.745 0 40 IHAB CCOC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(Cl)cc1 113877459 MDNHPPSCJQQRRO-UHFFFAOYSA-N 432.723 3.861 0 40 IHAB CC(=O)c1cccc(NC(=O)[C@H](C)N(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)c1 220252383 XYVNIYFXWWUSLR-NSHDSACASA-N 429.325 3.989 0 40 IHAB CC[C@H](C(=O)N[C@H]1CC(C)(C)Oc2ccccc21)N(c1ccc(OC)cc1)S(C)(=O)=O 220655998 CCNGSPFJGHEHSL-VQTJNVASSA-N 446.569 3.658 0 40 IHAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(C)cc1 224939262 AUUNTFDNZFHXOP-HSZRJFAPSA-N 426.557 3.962 0 40 IHAB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)[nH]c2C)cc1 225206394 LBEJEYDNZFEONL-VXKWHMMOSA-N 435.553 3.789 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)C2)cc1 225525296 CXNSAZOBSKLBPT-WIYYLYMNSA-N 442.581 3.814 0 40 IHAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1CN(C(=O)c1ccccc1Cl)c1ccccc1 226399879 QQWSKVWZFKXLED-WHLMCFGLSA-N 432.907 3.997 0 40 IHAB S=C(NCc1cccc(CNC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)c1)N[C@H]1C[C@H]2CC[C@H]1C2 250122430 SWUWBRFMBUQOLC-VWCSCAALSA-N 442.698 3.992 0 40 IHAB CC1(C)Oc2c(O)cccc2[C@@H]2O[C@@H]3CCN(C(=O)CCCc4cn[nH]c4)C[C@@H]3C[C@H]21 257244299 IKSJHIZLELEJRK-ZMUPPCTCSA-N 425.529 3.604 0 40 IHAB NC(=O)C[C@@]1(COc2ccc(F)cc2)CCCN(C(=O)Cc2c(F)cccc2Cl)C1 257288469 PUHTXRHPCHHMRE-QFIPXVFZSA-N 436.886 3.724 0 40 IHAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCC3=CCCCC3)Oc3cc(C)ccc32)cc1 260850781 QSVGITBNQKJAAL-HSZRJFAPSA-N 440.565 3.876 0 40 IHAB CN1CCN(C(=O)Cc2ccccc2)C[C@@H]1c1nnn2cc(-c3cccc(F)c3)ccc12 306141384 VUDIWARGXYGNFE-HSZRJFAPSA-N 429.499 3.593 0 40 IHAB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)Nc1ccc(Cl)cc1 408658599 LHXWMWWYBIMAPX-RTBURBONSA-N 438.867 3.591 0 40 IHAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(Cl)cc1OC 409107730 SUWDDJHVPPJJRM-RQZCQDPDSA-N 443.887 3.587 0 40 IHAB Cc1noc(C)c1C(=O)NC[C@@H]1CC[C@H]2CN(C(=O)c3ccccc3)c3ccccc3CN12 585110138 NMBWSBITNVBAJJ-VXKWHMMOSA-N 444.535 3.715 0 40 IHAB O=C(CCc1nnc2n(CCc3ccccc3)c(=O)c3ccccc3n12)NC1CCCCC1 1775969063 VUHQFKMPOOSINR-UHFFFAOYSA-N 443.551 3.668 0 40 IHAB COCC(=O)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(OC)cc1)CN2Cc1cccc(Cl)c1 1848351915 BBVYTCSBRVGRGA-DNVJHFABSA-N 428.960 3.812 0 40 IHAB COc1ccc(C)cc1N(CC(=O)N(C)Cc1ccccc1)S(=O)(=O)c1ccccc1 655098 AUXUWNHAKLVKQN-UHFFFAOYSA-N 438.549 3.858 0 40 IHAB COc1ccc(N(CC(=O)Nc2ccccc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 821085 BQKXRTCNMQYWLL-UHFFFAOYSA-N 440.521 3.846 0 40 IHAB Cc1c(N[C@H](NC(=O)c2cccs2)C(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 1107423 IPQZXZHQZKFALK-JOCHJYFZSA-N 446.532 3.597 0 40 IHAB COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NCc4ccccc4)nc3n2)cc1 3139472 ZUARNXODJQIPRH-UHFFFAOYSA-N 427.386 3.749 0 40 IHAB O=C(COC(=O)CCCOc1ccc(Cl)cc1Cl)NCc1ccc2c(c1)OCO2 3313050 AWDUEGVUJBKQNO-UHFFFAOYSA-N 440.279 3.741 0 40 IHAB COc1cccc(NC(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccccc2)c1 8396974 COHOCQJRRZRTBD-UHFFFAOYSA-N 426.494 3.538 0 40 IHAB CS(=O)(=O)c1ccc2nc(NC(=O)c3cc(=O)c4cc(Cl)ccc4o3)sc2c1 8916742 WIGPPCPXASCOIR-UHFFFAOYSA-N 434.882 3.712 0 40 IHAB biogenic CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NCC(=O)N[C@@H](C)c1ccccc1 9157510 JHIDRSJWWWMJDF-SFHVURJKSA-N 445.585 3.549 0 40 IHAB CCN1C(=O)C(C)(C)COc2cc(NS(=O)(=O)c3ccc(NC(C)=O)cc3C)ccc21 9166459 XZVJAKFBUSHLBH-UHFFFAOYSA-N 445.541 3.526 0 40 IHAB COc1ccc(N2C[C@@H](C(=O)Nc3nnc(Cc4ccc(Cl)cc4)s3)CC2=O)cc1 9191158 OPLMVUZOWXMXBT-AWEZNQCLSA-N 442.928 3.783 0 40 IHAB Cc1c(CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)c(=O)oc2cc(O)ccc12 9348775 NVNLCFJKORWSAP-UHFFFAOYSA-N 426.900 3.742 0 40 IHAB CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)sc2ccccc21 9393646 OSSZXFGTUBPBKC-KJXVGZKYSA-N 443.594 3.884 0 40 IHAB Cc1cc(Cl)ccc1OCCCC(=O)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 9492453 SCCZFVOZOSQWAL-KRWDZBQOSA-N 425.934 3.616 0 40 IHAB CCCn1c(NC(=O)[C@@H](NC(=O)c2cc(OC)cc(OC)c2)C(C)C)nc2ccccc21 9493833 SJERCWNXOBZDAK-NRFANRHFSA-N 438.528 3.857 0 40 IHAB CCCN1C(SCC(=O)Nc2ccc(OCC)cc2)=NS(=O)(=O)c2ccccc21 9530247 DSDVGMXYASZHCP-UHFFFAOYSA-N 433.555 3.732 0 40 IHAB O=c1c2ccccc2nnn1CSc1nnc(COc2ccccc2Cl)n1C1CC1 9580453 SWOKXWWOSJXCMY-UHFFFAOYSA-N 440.916 3.700 0 40 IHAB O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 9664246 CZRFMJLEZOFYKF-HXUWFJFHSA-N 428.488 3.717 0 40 IHAB CS(=O)(=O)c1ccccc1-c1nnc(NC(=O)c2ccc(Cc3ccccc3)cc2)o1 9707612 YYOQYJPWQSHETK-UHFFFAOYSA-N 433.489 3.983 0 40 IHAB CN(Cc1ccc2c(c1)OCO2)C(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 9767447 AVZZXFRYEWESKX-UHFFFAOYSA-N 433.489 3.512 0 40 IHAB Cc1ccccc1Nc1nc(N)nc(CSCc2nc3sc(C)c(C)c3c(=O)[nH]2)n1 9781911 JLQNXJYVEGQLLA-UHFFFAOYSA-N 439.570 3.854 0 40 IHAB COc1ccc(N(C(=O)c2ccccc2C(F)(F)F)[C@@H]2C=CS(=O)(=O)C2)c(OC)c1 9958519 HKSDXKMZEWAKEO-CYBMUJFWSA-N 441.427 3.680 0 40 IHAB CCOc1c(Br)cc(C(=O)OCC(=O)N2CCCc3ccccc32)cc1OC 9963912 BLRXQNMYTOPZCG-UHFFFAOYSA-N 448.313 3.993 0 40 IHAB Cc1ccc(C(=O)N2[C@@H](CC(=O)Nc3ccc(Cl)cc3)C(=O)N[C@@H]3CCCC[C@H]32)cc1 10035265 NECZLXZYJJPSMS-NJYVYQBISA-N 439.943 3.929 0 40 IHAB O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1nnc(-c2ccc3c(c2)CCCC3)o1 10219007 BCNDXJHVILTVDN-UHFFFAOYSA-N 443.500 3.947 0 40 IHAB O=C(N[C@H](c1ccc(F)cc1)c1cccs1)c1cccc(S(=O)(=O)NC2CC2)c1 10291321 BKYRGFYTVSWCND-HXUWFJFHSA-N 430.526 3.847 0 40 IHAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2nnc(COc3ccc(F)cc3)o2)cc1 11195067 SHOBQNAFQADQGF-GFCCVEGCSA-N 430.461 3.865 0 40 IHAB CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCCc1cn2ccccc2n1 11534527 JRDBMAGEBMMCRQ-LJQANCHMSA-N 433.339 3.754 0 40 IHAB O=C(CSc1ncnc2c1nnn2-c1cccc(Cl)c1)N1CCCc2ccccc21 11758631 CBEHKVAFYFJTCR-UHFFFAOYSA-N 436.928 3.935 0 40 IHAB Cc1cc(C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)Cc4nc5ccccc5[nH]4)C3)cc2n1 12088418 VBMOCROYPNLXCL-CQSZACIVSA-N 442.445 3.882 0 40 IHAB COCCCN1C(=O)c2ccc(C(=O)Nc3c4c(nc5ccccc35)CCCC4)cc2C1=O 12545149 LYFQSOWEHFKGRO-UHFFFAOYSA-N 443.503 3.998 0 40 IHAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)COc1cccc(C(=O)NCc2ccccc2)c1 12759388 BSJYMANBALXOJZ-SFHVURJKSA-N 443.503 3.759 0 40 IHAB O=C(OCC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2)c1ccc(Cl)nc1 12794260 YEXHFOKXMPREIN-UHFFFAOYSA-N 444.896 3.958 0 40 IHAB Cc1ccc(Cn2nc(C)c3cc(C(=O)N4Cc5ccccc5C[C@@H]4C(N)=O)sc32)cc1 12797486 LTTXGFPPXKUYEX-OAQYLSRUSA-N 444.560 3.815 0 40 IHAB Cc1ccc(CCC(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)cc1Cl 12998593 ZQEWETRFEVNLFJ-UHFFFAOYSA-N 427.976 3.981 0 40 IHAB Cc1cc(=O)c(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)nn1-c1ccc(Cl)cc1 13007642 YXXWPXBWJKYDGI-VMPITWQZSA-N 448.954 3.666 0 40 IHAB C[C@H](c1ccccc1)N1C[C@@H](C(=O)Nc2cc3c(cc2Br)OCCO3)CC1=O 13037841 FEVRTCBXMNDAFR-HIFRSBDPSA-N 445.313 3.769 0 40 IHAB CCOC(=O)c1c(NC(=O)CN2c3ccccc3CC[C@@H]2C)sc(C(=O)N(C)C)c1C 13037923 NIBWBEABZXKXPB-AWEZNQCLSA-N 443.569 3.715 0 40 IHAB Nn1c(SCC(=O)Nc2ccccc2SCc2ccccc2)nnc1[C@H]1CCCO1 13149592 ZGRDULVDLXSANK-QGZVFWFLSA-N 441.582 3.867 0 40 IHAB Cn1c(CNC(=O)Nc2ccccc2Br)nnc1SCc1cccnc1 13565259 IQRKTKWOBAZXPI-UHFFFAOYSA-N 433.335 3.587 0 40 IHAB CC1CCN(CCCNC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)CC1 13632192 RHVSRRVEKATAQS-UHFFFAOYSA-N 443.613 3.505 0 40 IHAB O=C(CCCc1nc2ccccc2s1)NC[C@H](c1ccc(F)cc1)N1CCOCC1 14232239 KLLCPYVVQHYDFQ-HXUWFJFHSA-N 427.545 3.948 0 40 IHAB O=C([C@H]1Cc2ccccc2CN1S(=O)(=O)c1cc(Cl)cc(Cl)c1)N1CCCC1 14247165 QLSIFXWFERSIMF-LJQANCHMSA-N 439.364 3.731 0 40 IHAB CCCCn1nc(C)c(NC(=O)c2ccc(NC(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)c1C 14405373 FVZHEYASGHDBJE-UHFFFAOYSA-N 446.511 3.974 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(Cl)cc1Cl 14495928 NOXOKJAJABLRCK-UHFFFAOYSA-N 429.325 3.575 0 40 IHAB COc1cc(C)c(NC(=O)CCCNS(=O)(=O)c2ccc3c(c2)CCCC3)cc1OC 15721915 LIHWUQZTCNORFN-UHFFFAOYSA-N 446.569 3.588 0 40 IHAB COc1ccc(S(=O)(=O)[C@@H](CNC(=O)COc2ccc(C)cc2)c2cccs2)cc1 15780943 SDQMMLCGHNBEFF-NRFANRHFSA-N 445.562 3.775 0 40 IHAB Cc1ccsc1CN(C(=O)COc1cc(C)c(Cl)c(C)c1)[C@@H]1CCS(=O)(=O)C1 16742555 WXVMEADKLUQYDU-MRXNPFEDSA-N 442.002 3.921 0 40 IHAB Cc1ccc(-c2n[nH]c(NC(=O)c3ccc(C)c(S(=O)(=O)N4CCCCC4)c3)n2)cc1 16965036 QDBYJMNBCQPCIO-UHFFFAOYSA-N 439.541 3.515 0 40 IHAB CCn1cc(CN2CCC(C[C@@H]3CC(c4cccc(F)c4)=NO3)(C(=O)O)CC2)c(C)n1 19524514 WQKAXSVWEVNRHS-FQEVSTJZSA-N 428.508 3.601 0 40 IHAB CCN1CCN(C(=O)c2cnc(C)nc2C)C[C@@H](Cc2ccc(-c3cccs3)cc2)C1=O 19527436 GFJUNMKHVSNYOD-OAQYLSRUSA-N 448.592 3.985 0 40 IHAB COc1ccc(CC(=O)N2CC[C@@H](c3c(C(=O)N(C)C)sc4ncccc34)C2)cc1F 19702538 AXVOCBBTCYDAPJ-OAHLLOKOSA-N 441.528 3.704 0 40 IHAB Cc1cccc(C)c1OCC(=O)N1CC[C@@H](c2ccc3c(NC4CCOCC4)n[nH]c3n2)C1 19705080 XOCAOLYXAMJEBX-GOSISDBHSA-N 449.555 3.561 0 40 IHAB Cc1nc([C@]2(O)CCCN(c3ncccn3)CC2)sc1COc1ccc(F)c(F)c1 19705215 VOCCXLPWEUFAGM-NRFANRHFSA-N 432.496 3.977 0 40 IHAB CN1CCN(C(=O)c2cc([C@@H]3CCN(C(=O)C4CCCCC4)C3)nc3ccccc23)CC1 19752232 CIMMSUMKKFWZMH-HXUWFJFHSA-N 434.584 3.519 0 40 IHAB COc1ccccc1CNC(=O)c1cncnc1CC1CCN(C(=O)c2ccccc2)CC1 19757285 PRZBVKDLYHSGPP-UHFFFAOYSA-N 444.535 3.510 0 40 IHAB C[C@@H](OC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)C(=O)Nc1ccc(N2CCCCC2)cc1 21856911 SYDLVRIDEYHYDA-QRWLVFNGSA-N 439.487 3.812 0 40 IHAB COC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2NC(=O)c2ccccc2)cc1 22029354 FMGFOCLJGSAONX-UHFFFAOYSA-N 432.432 3.521 0 40 IHAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1 22536797 IFAHIUJHFIRCLO-MOPGFXCFSA-N 432.586 3.945 0 40 IHAB Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)c2ccc(Br)o2)c1C 22766731 JICNVSMHFYFPAP-HNNXBMFYSA-N 435.318 3.919 0 40 IHAB CCCc1ccc(C(=O)CCC(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)cc1 23010993 KHRYTJWMGQZNBX-UHFFFAOYSA-N 437.540 3.511 0 40 IHAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 25638948 HFBOWLDESAJCEL-SFHVURJKSA-N 447.576 3.984 0 40 IHAB CS(=O)(=O)Nc1cc(NC(=O)c2nccnc2-c2nc3ccccc3s2)ccc1F 25670347 XGVZSJWLEPTWRN-UHFFFAOYSA-N 443.485 3.516 0 40 IHAB COc1ccc(CN2C(=O)/C(=C\NCc3nc4ccccc4[nH]3)c3ccccc3C2=O)cc1 25778131 CCOLAPSSVAVJNG-STZFKDTASA-N 438.487 3.885 0 40 IHAB C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccc(-n2cncn2)cc1 26065675 ARDYAPOHVHDSDP-DYESRHJHSA-N 435.528 3.581 0 40 IHAB NC(=O)c1c(NC(=O)c2ccccc2I)sc2c1CCCCC2 32125136 HCZAQUYBDWKTSZ-UHFFFAOYSA-N 440.306 3.973 0 40 IHAB CC(=O)N1CCc2cc(C(=O)Nc3cccc(S(=O)(=O)N(C)c4ccccc4)c3)ccc21 32204276 CUEJOGGBNJAUFQ-UHFFFAOYSA-N 449.532 3.673 0 40 IHAB COc1ccc(CN(C)C(=O)/C=C/c2cc(Cl)c3c(c2)OCCO3)c(OC)c1OC 32520592 GHHIVWJPKYFDAH-VMPITWQZSA-N 433.888 3.809 0 40 IHAB COc1cc(N2C[C@H](C(=O)Oc3cccc(Cl)c3Cl)CC2=O)cc(OC)c1OC 32796427 YIRLDDKSKOSENI-LLVKDONJSA-N 440.279 3.978 0 40 IHAB O=C(NCc1nnc2ccc(C(F)(F)F)cn12)c1c[nH]c(=S)n1-c1ccc(F)cc1 32848638 JAPDCJWHAYAIAK-UHFFFAOYSA-N 436.394 3.665 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc2nnc(SCCOc3ccc(Cl)cc3)n2c1 32858528 HDTXUGNTDFCKAH-UHFFFAOYSA-N 440.978 3.584 0 40 IHAB O=C(Nc1nnc(-c2ccccc2)s1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 35268669 RSXJUONULMQUIC-INIZCTEOSA-N 448.957 3.650 0 40 IHAB CCC[C@H](C)NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)[C@@H]1c1cccs1 36885034 HJZOANJVZHTLCR-CECAUBDESA-N 428.554 3.999 0 40 IHAB CC[C@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(Cl)c1Cl)C(=O)OC 43735307 ZRFGYEOLMPCITA-SDDDUWNISA-N 439.343 3.961 0 40 IHAB CC[C@H](C)NC(=O)[C@@H]1CCCN(c2nc3c(-c4cccc(OC)c4)csc3c(=O)[nH]2)C1 49421325 HGLRQBNUMRZUNV-GOEBONIOSA-N 440.569 3.791 0 40 IHAB O=C(Cc1ccc2c(c1)OCCO2)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 58160637 BEDUJUIOYKTNGP-UHFFFAOYSA-N 443.547 3.961 0 40 IHAB CC[C@@]1(c2ccc(NC(=O)c3cnn(-c4ccc(F)cc4)c3C)cc2)CCC(=O)NC1=O 59988777 ANNODHLJBDHLCX-DEOSSOPVSA-N 434.471 3.657 0 40 IHAB CCCN1CCc2nc(SCC(=O)Nc3ccccc3C(F)(F)F)nc(O)c2C1 67291714 CYUMXINYSVCMJO-UHFFFAOYSA-N 426.464 3.700 0 40 IHAB O=C(CSc1nc2ccccc2c2nnnn12)Nc1nc2ccc(Cl)cc2s1 69701197 JADIPQIABTZSEQ-UHFFFAOYSA-N 427.902 3.666 0 40 IHAB CCCN1CCN([C@@H](C)CCCN(C(=O)[C@H]2CCCN(c3nccs3)C2)C2CC2)CC1 72305493 NOJYUJDIGHHQLA-SFTDATJTSA-N 447.693 3.547 0 40 IHAB Cc1nccc(-c2sc(C3CCN(C(=O)[C@H]4CC(=O)N(C(C)(C)C)C4)CC3)nc2C)n1 72340157 PLDQXYDLRSLBKC-KRWDZBQOSA-N 441.601 3.570 0 40 IHAB CCN(CC)c1ncc(CN2CCC[C@@H](c3ccc(C(=O)N4CCCC4)cn3)C2)s1 72345754 VQPJYCWUNSBLGO-LJQANCHMSA-N 427.618 4.000 0 40 IHAB Cc1cc(-c2cnc(N)nc2)cc([C@H]2CCCN(C(=O)COc3c(C)cccc3C)C2)n1 72353703 BEQOSAZYCSOCLK-IBGZPJMESA-N 431.540 3.831 0 40 IHAB COc1ccc(CN(C(=O)c2oc(Br)cc2C)c2cnn(C)c2)c(OC)c1 78879108 YUOXLOSCBCVYBD-UHFFFAOYSA-N 434.290 3.948 0 40 IHAB CCOc1ccc2nc(NC(=O)[C@@H]3CSc4nc(C(C)(C)C)cc(=O)n4C3)sc2c1 90609716 YOOJGWCBVLSGMG-LBPRGKRZSA-N 444.582 3.910 0 40 IHAB O=C(CN1C(=O)S/C(=C/c2cccs2)C1=O)N(Cc1ccco1)CC(F)(F)F 96924982 SIDQYIQRAWHUEZ-NTUHNPAUSA-N 430.429 3.969 0 40 IHAB COc1ccc(OC)c([C@@H]2CCCN2CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)c1 102478762 HOHBDUQEQNDIOL-UXSWERMXSA-N 429.561 3.935 0 40 IHAB O=C(O)c1cccc(COc2ccccc2/C=c2\sc3nc4ccccc4n3c2=O)c1 110082511 PPOFRYUQNUQRNU-BKUYFWCQSA-N 428.469 3.734 0 40 IHAB C[C@@H](C(=O)NCCCc1ccccc1)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 220437696 ZJOXOFQWYAYELM-AWEZNQCLSA-N 429.369 3.897 0 40 IHAB COc1ccc([C@@H](CC(C)C)NC(=O)[C@@H](C)N(c2cccc(F)c2)S(C)(=O)=O)cc1 220486748 OQBPMPDXKRKSLC-IIBYNOLFSA-N 436.549 3.892 0 40 IHAB CCN(c1ccc(C(=O)Nc2ccccc2C(=O)NCC(C)C)cc1)S(=O)(=O)CC 222395376 CBUJAMFGSLCTDL-UHFFFAOYSA-N 431.558 3.501 0 40 IHAB C[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1)c1ccc2c(c1)CCC2 223214444 JGPVRVFWLLLWHN-KRWDZBQOSA-N 444.572 3.734 0 40 IHAB CCCCOC(=O)c1ccc(NS(=O)(=O)c2cc3oc(=O)n(C)c3cc2Cl)cc1 223349125 HPFRETJFHJEYTB-UHFFFAOYSA-N 438.889 3.543 0 40 IHAB COC(=O)c1cccc(S(=O)(=O)NCCSCc2ccc(Cl)c(Cl)c2)c1 224926437 IGFCNEAPTPZKAA-UHFFFAOYSA-N 434.366 3.992 0 40 IHAB COc1ccc(-c2noc(CN(C)C(=O)c3ccc(Cn4nc(C)cc4C)cc3)n2)cc1 225294987 ROLORZBPLRTURV-UHFFFAOYSA-N 431.496 3.879 0 40 IHAB COc1cccc(-c2noc(CCC(=O)Nc3ccc(I)cc3)n2)c1 225823022 ACJFTSJCEYVWNG-UHFFFAOYSA-N 449.248 3.921 0 40 IHAB CCc1cc(Br)cc(CC)c1NC(=O)CCc1ccc(S(N)(=O)=O)cc1 226050815 GICPCWPEXIJHTB-UHFFFAOYSA-N 439.375 3.793 0 40 IHAB Cc1nc([C@H]2CCN(C(=O)[C@H](C)c3ccccc3)C2)nc(C)c1CC(=O)NC1CCCC1 257272204 NBLFWVLDIIBDJL-UTKZUKDTSA-N 434.584 3.814 0 40 IHAB CC1CCN(CCCNC(=O)[C@@H]2C[C@H]3CC[C@@]2(C)C[C@]32NC(=O)c3ccccc3N2)CC1 257335014 YIIFWSPCQBXJFO-RHUJPPKVSA-N 438.616 3.603 0 40 IHAB CCCC[C@H](CC)CNC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 260793249 MBTMZVGLMMVKRD-PGRDOPGGSA-N 430.570 3.976 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(OC)c(NC(=O)c3ccccc3)c2)c(OC)c1 408559805 ZBXCSHQUZJIIGO-UHFFFAOYSA-N 442.493 3.766 0 40 IHAB CCCCCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 408584146 MJCULGGFFZWHEA-UHFFFAOYSA-N 438.977 3.846 0 40 IHAB Cc1nnc(SCC(=O)Nc2sc3c(c2C(=O)NCc2ccccc2)CCCC3)o1 408639758 YSDGKMDWPKJHBZ-UHFFFAOYSA-N 442.566 3.979 0 40 IHAB CCc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@H]4C3=O)c2)cc1 408662199 NHRSOLVBLQVZRY-NPFVIJTESA-N 448.519 3.970 0 40 IHAB COc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)c1 408673291 ZONYSWVVUOFLEK-GFCCVEGCSA-N 437.279 3.537 0 40 IHAB COC(=O)c1ccc(Nc2nc(-c3cc(OC)ccc3OC)c(CC(=O)O)s2)cc1 408891293 ODYBEXKUSVGMDT-UHFFFAOYSA-N 428.466 3.985 0 40 IHAB CCCc1sc2nc(SCC(=O)N3CCOCC3)n(-c3ccccc3)c(=O)c2c1C 409113881 GEJNBWJMOQFYCM-UHFFFAOYSA-N 443.594 3.659 0 40 IHAB Cc1nn(-c2ccccc2F)c(C)c1[C@@H]1COCCN1C(=O)c1ccnc2ccncc12 504046647 WEBXFKGIRFGEOZ-QFIPXVFZSA-N 431.471 3.785 0 40 IHAB Cc1cc(C(=O)N2c3ccccc3CC[C@@H]2C(=O)N2CCN(C)CC2)c2nccc(C)c2c1 551213954 JVFDTGKWIBYYCA-XMMPIXPASA-N 442.563 3.587 0 40 IHAB COc1ccccc1CNC(=O)CN1CCC(COc2cccc(Cl)c2)(OC)CC1 585272178 GTIDGQWYHSOQPY-UHFFFAOYSA-N 432.948 3.525 0 40 IHAB CC(C)C[C@H]1COc2ccccc2C(=O)N(C)CCCCCN1C(=O)c1cn(C)cn1 643564081 FMHBNLNXIYRMLU-IBGZPJMESA-N 426.561 3.612 0 40 IHAB Cc1cccc2c1ccn2CCNC(=O)CC1(N2Cc3ccccc3C2=O)CCOCC1 1565524976 ZRWRJYLTGKSMEI-UHFFFAOYSA-N 431.536 3.661 0 40 IHAB Cc1nc2ccccc2n1[C@H]1C[C@H]2CN(C(=O)NC(C)C)C[C@H]2C[C@@H]1Oc1cnccn1 2332242616 CWXIRYWHIPCFHQ-UDKICSLYSA-N 434.544 3.583 0 40 IHAB CNC(=O)NC(=O)[C@H](C)Sc1nnc(-c2ccc(OC)cc2)n1[C@H]1CCCC[C@@H]1C 11537926 UAFLYXVJAQWPBE-ZQIUZPCESA-N 431.562 3.641 0 40 IHAB O=C1N[C@@H]2CCN(C(=O)c3cccs3)[C@@H]2C(=O)N1c1ccc(Oc2ccccc2)cc1 4278026 KQEZMQLFPXHTFT-QUCCMNQESA-N 433.489 3.880 0 40 IHAB biogenic,in-vitro CC(C)c1ccc(NC(=O)[C@H](C)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)cc1 32860140 HDKYXMMRUSNBPA-ROUUACIJSA-N 436.556 3.833 0 40 IHAB COC[C@@H](C)NC(=O)CCSc1nc(-c2ccc(OC)cc2)cc(C(F)(F)F)n1 8677024 OQJSDMAKSROOPT-GFCCVEGCSA-N 429.464 3.804 0 40 IHAB Cc1nn(-c2ccccn2)c2ncc(C(=O)NC[C@H](c3ccccc3Cl)N(C)C)cc12 32921955 FRPBKWDGVJNAIO-HXUWFJFHSA-N 434.931 3.810 0 40 IHAB COc1cc2c(cc1OC)CN(C(=O)N[C@H](C)c1cc(OC)c(OC)c(OC)c1)CC2 59315013 BWHUZRQILJVTSX-CQSZACIVSA-N 430.501 3.559 0 40 IHAB CCOc1ccc(NC(=O)c2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@H]6C[C@H]56)[C@H]4C3=O)cc2)cc1 102085854 JNZQZRHVKSSGPE-RCQJKQRMSA-N 428.488 3.895 0 40 IHAB COc1ccc(CN2N=N[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]32)cc1Br 101167763 UWXWQNWZHUYTQM-HOTGVXAUSA-N 449.692 3.605 0 40 IHAB COCCn1c(SCC(=O)c2ccc3c(c2)OCCO3)nnc1-c1cccc(C)c1 9056342 NYCVXFNIHJPOPZ-UHFFFAOYSA-N 425.510 3.646 0 40 IHAB CCCc1c(C)c2c(O[C@@H](C)C(=O)OCC)cc(O[C@H](C)C(=O)OCC)cc2oc1=O 627796 HWTRYCHJYHYCNK-CABCVRRESA-N 434.485 3.715 0 40 IHAB CNC(=O)NC(=O)[C@H](C)Sc1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)C 9509641 CZUSXVRMTMHMKE-JTQLQIEISA-N 430.361 3.844 0 40 IHAB CCOC(=O)c1sc(N[C@@H](NC(C)=O)C(Cl)(Cl)Cl)c(C(=O)OCC)c1C 822186 DRKOQECXUDDYKD-CQSZACIVSA-N 445.752 3.654 0 40 IHAB Fc1ccc(Cn2nnnc2[C@@H](c2ccccc2)N2CCN(Cc3ccccc3)CC2)cc1 22929251 MGUYCCDUXACWMD-RUZDIDTESA-N 442.542 3.768 0 40 IHAB COc1ccccc1NC(=O)C1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1 61717427 FLCSEIMPRYJEKF-UHFFFAOYSA-N 428.496 3.655 0 40 IHAB O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 1401312 VUWLAAFWMJSVRV-MRXNPFEDSA-N 443.750 3.894 0 40 IHAB O=C(COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)Nc1ccc(F)c(F)c1 20020725 YHMCAHYPFPJOQN-UHFFFAOYSA-N 436.411 3.922 0 40 IHAB CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 43727064 GJZVOTCXZHCVEC-WCIQWLHISA-N 426.394 3.810 0 40 IHAB COc1ccc(-c2nn(-c3ccccc3)cc2CN2Cc3ccccc3C[C@H]2C(N)=O)cc1 35489046 LHCITGRPWXBMRD-VWLOTQADSA-N 438.531 3.960 0 40 IHAB Cc1nnc(NC(=O)CSc2nc3ccccc3c(=O)n2[C@@H]2CCC[C@@H](C)[C@@H]2C)o1 57996508 APHNVLSREYDQGY-IIYDPXPESA-N 427.530 3.816 0 40 IHAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)CNC(=O)c1sc2ccccc2c1Cl 3220451 LDQOGOYTPVJBDI-CYBMUJFWSA-N 442.924 3.806 0 40 IHAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2)C1 2078724 XFLPUEWPKJQLLV-STQMWFEESA-N 441.347 3.961 0 40 IHAB Cc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1NS(=O)(=O)c1ccccc1 10112910 PFUWVLAPXKQOEJ-UHFFFAOYSA-N 435.549 3.758 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)Nc4ccc5c(c4)OCO5)ccc32)cc1 10327604 IHVDMJWXONFSRB-UHFFFAOYSA-N 436.489 3.727 0 40 IHAB COc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@H]2c2ccc(OC)c(OC)c2)cn1 44892053 DFVZGFCPKJYCKX-GOTSBHOMSA-N 447.491 3.657 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@H](C(F)(F)F)C3)CC2)cc1C 10286027 QRFPVHRIVACNMM-QGZVFWFLSA-N 432.508 3.505 0 40 IHAB C[C@H](CC(C)(C)c1ccccc1)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 60111081 PDQDPOZGCDZMIW-WOJBJXKFSA-N 428.598 3.960 0 40 IHAB Cc1cccc(CSCCNC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)c1 408705635 KGRBEKUFCBLIES-UHFFFAOYSA-N 438.590 3.730 0 40 IHAB CS(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)ccc1Cl 28330977 HPWRMHJNLFTRLJ-KRWDZBQOSA-N 435.929 3.882 0 40 IHAB COc1ccccc1NC(=O)Cc1noc(COC(=O)C23CC4CC(CC(C4)C2)C3)n1 10800759 MUTSWGXLKXZLAJ-UHFFFAOYSA-N 425.485 3.519 0 40 IHAB O=C(c1ccccc1)N1CCN(CC(=O)N2c3ccccc3OC[C@@H]2c2ccccc2)CC1 36446989 JURSQTHIZGIACY-XMMPIXPASA-N 441.531 3.611 0 40 IHAB Cc1cccc(C)c1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 12769186 VLTWIHCTQBXHBG-KRWDZBQOSA-N 438.553 3.846 0 40 IHAB COC(=O)c1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nnc(C)s2)cc1 2400546 CGMLYPMOYUVRPL-GOSISDBHSA-N 447.472 3.798 0 40 IHAB O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)c2cccnc2SC(F)F)CC1 12751235 KVINXGLZNOWNBW-UHFFFAOYSA-N 434.464 3.903 0 40 IHAB C[C@@H](NC(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cc1Cl 12798261 QZDIJEALAJNNMM-CYBMUJFWSA-N 434.323 3.727 0 40 IHAB Cc1cccc2c(=O)[nH]c(COC(=O)c3cc(C4CC4)nc4c3nc3n4CCCCC3)nc12 12771446 BXABXQWHSMPMIB-UHFFFAOYSA-N 443.507 3.937 0 40 IHAB Cc1csc([C@](O)(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)C(F)(F)F)n1 48313254 LVGVLAXBFYXFCC-IFXJQAMLSA-N 442.459 3.726 0 40 IHAB O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)NCc1ccc(OC(F)F)cc1 12817896 TWPLJHRSDGIIAY-UHFFFAOYSA-N 433.480 3.645 0 40 IHAB O=C(CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)N1CCC[C@@H]2CCCC[C@@H]21 12873158 OLJWKCAANJOORF-WFXMLNOXSA-N 441.597 3.849 0 40 IHAB C[C@H](c1nc2ccccc2s1)N1CCN(C(=O)c2ccc(N3CCCC3=O)cc2)CC1 12914775 HWTDEEASCBYOCR-QGZVFWFLSA-N 434.565 3.942 0 40 IHAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)CCc2nc3ccccc3s2)CC1 13163829 YWBYNWQXVZIPIM-UHFFFAOYSA-N 437.521 3.835 0 40 IHAB O=C(COC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1)Nc1cccc(C(F)(F)F)c1 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CCCCn1c(SCC(=O)N[C@H](C)c2cccc(OC)c2)nc2cc(C)[nH]c2c1=O 67299528 PUDKJNCLFAFOFU-OAHLLOKOSA-N 428.558 3.811 0 40 IHAB CCc1nnc2n1N[C@@H](c1ccc(OC)c(Cl)c1)[C@H](C(=O)Nc1ccccc1)S2 9239184 BAFYILCVGZJUAD-ZWKOTPCHSA-N 429.933 3.900 0 40 IHAB CCOc1cc(C(=O)NCC(=O)Nc2c(C)cccc2C)cc(Br)c1OC 9316141 BRGMXBUHNKITSY-UHFFFAOYSA-N 435.318 3.842 0 40 IHAB Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2C(C)(C)CO[C@H]3c2ccccc2O)cc1 9429744 JCVOJJGEGUUJAF-QHCPKHFHSA-N 445.519 3.574 0 40 IHAB O=C(CN1CCCCCc2ccccc21)NCC(=O)Nc1ccccc1Br 78950317 RXLINHLSXLGXSU-UHFFFAOYSA-N 430.346 3.737 0 40 IHAB Cc1cc(NC(=O)C(=O)N[C@H](CCCc2ccccc2)c2ccccc2)ccc1C(N)=O 84089968 BYPOAPJTTFSVQL-HSZRJFAPSA-N 429.520 3.913 0 40 IHAB CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)O[C@@H](C)c1cnc2ccccc2c1 79052252 DQYVXOKSPWVSBM-HRAATJIYSA-N 444.578 3.939 0 40 IHAB COc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)[C@H]1Cc2cc(Cl)ccc2O1 9724189 DCPCITUYWWVBOZ-OAQYLSRUSA-N 440.883 3.913 0 40 IHAB O=C1CCc2cc(S(=O)(=O)N[C@@H](c3ccccc3)C3CC3)c(Br)cc2N1 79111912 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0 40 IHAB O=C(COc1ccc(F)cc1)N1CC[C@H](c2cc(CCOc3ccc(F)c(F)c3)[nH]n2)C1 72371699 XOHRWRAMLFCDDS-HNNXBMFYSA-N 445.441 3.843 0 40 IHAB CC(=O)NSC(C)(C)[C@@H](C(=O)O)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 45331588 JVSWPSPQQHFYKM-HXUWFJFHSA-N 442.537 3.883 0 40 IHAB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Cl)cn1 223068226 SXZAWYWGGDFLEP-VQTJNVASSA-N 427.961 3.930 0 40 IHAB C[C@H]1CCCCN1c1cc(N2CCOCC2)nc(NC(=S)N[C@H](C)c2ccccc2)n1 225959807 SOBSGYJXLDWPBD-ZWKOTPCHSA-N 440.617 3.740 0 40 IHAB Cc1ccc(OCCNC(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)c(C)c1 224118937 YFHKCJFCASWSSD-UHFFFAOYSA-N 438.549 3.941 0 40 IHAB Cc1cccc(OCCNC(=O)CCCN(c2ccc3ccccc3c2)S(C)(=O)=O)c1 224686820 VXAVJUHYDYXXQQ-UHFFFAOYSA-N 440.565 3.890 0 40 IHAB CCCOc1cc(S(=O)(=O)N2CCN=C2Cc2ccccc2)ccc1Br 41095204 ADBDZAOGRPEAGW-UHFFFAOYSA-N 437.359 3.883 0 40 IHAB CC[C@H](NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc(S(C)(=O)=O)cc1 44856961 HIIKNYLMPWCYKL-KNQAVFIVSA-N 432.561 3.709 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)N[C@H](C)c1ccc(C)cc1 224216207 XEZDCRPBNOIIQP-GOSISDBHSA-N 430.570 3.598 0 40 IHAB COc1ccccc1NC(=O)COC(=O)CCC(=O)Nc1ccc(Cl)c(Cl)c1 138777169 KFNZPWNTXDWEJU-UHFFFAOYSA-N 425.268 3.903 0 40 IHAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc2c(c1)OCO2 225197699 LMWDJWLPRDFPLQ-QGZVFWFLSA-N 428.504 3.821 0 40 IHAB COc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(C)ccc3C)C2)cc1 225920978 AUPQYEFIDVZDOR-UYAOXDASSA-N 430.570 3.590 0 40 IHAB CCCc1ccc(OCCNC(=O)CCCN(c2cccc(F)c2)S(C)(=O)=O)cc1 224800720 WETHGAXZNSYMMX-UHFFFAOYSA-N 436.549 3.520 0 40 IHAB O=C1NC2(CCCC2)C(=O)N1c1cccc(CNC(=O)N2CC3C[C@H]4CC2C[C@@H](C3)C4)c1 574374234 RYWGRVVQIUORMG-FUUYNRHESA-N 436.556 3.776 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NC(C)(C)Cc1ccccc1 222903713 AWRCAZWGKUKLGI-UHFFFAOYSA-N 430.570 3.621 0 40 IHAB O=C(NCCSC1CCCC1)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 224691143 LWQNCLCVROOLJX-UHFFFAOYSA-N 445.050 3.674 0 40 IHAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(OC)cc1 224739681 ZGLZEYRBBBJUPP-QFIPXVFZSA-N 430.520 3.793 0 40 IHAB COc1ccc([C@@H](CC(C)C)NC(=O)[C@H](C)N(c2ccccc2F)S(C)(=O)=O)cc1 220317965 JOBHHVSUIUJNOA-OXJNMPFZSA-N 436.549 3.892 0 40 IHAB C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1ccc2c(c1)CCC2 223258368 JATFVZIVWBJXLN-OXQOHEQNSA-N 430.545 3.593 0 40 IHAB C[C@H]1CCCCN1c1cc(N2CCCCC2)nc(NC(=S)NCc2cccnc2)n1 225939741 ZUUDMZOMZLDLBM-KRWDZBQOSA-N 425.606 3.727 0 40 IHAB COc1cccc(CN(CC(=O)NC(=O)Nc2cccc(C)c2C)C2CCC(O)CC2)c1 532576078 KWODOIVZAWHVGD-UHFFFAOYSA-N 439.556 3.766 0 40 IHAB O=C1CC2(CCN(C(=O)c3cccc(Nc4ncccn4)c3)CC2)[C@H](c2ccccc2)CN1 257326116 WVWUYUBCBDCSBW-QFIPXVFZSA-N 441.535 3.746 0 40 IHAB Cc1ccc(Nc2cc(C)nc([C@@H]3CCN(S(=O)(=O)c4c(C)n[nH]c4C)C3)c2)cc1 257310553 UFOVPZJXMYZYOZ-GOSISDBHSA-N 425.558 3.960 0 40 IHAB Cc1nc2ccc(NC(=O)CN3C(=O)c4ccccc4N4C(=O)c5ccccc5[C@@H]34)cc2[nH]1 604419194 GNDNFAWFPPFQCB-QHCPKHFHSA-N 437.459 3.625 0 40 IHAB CCOC(=O)[C@@H](C(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1)c1nc(C)cs1 103056213 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CC(C)c1ncc(CN2CCC([C@@H]3C[C@@H](C(=O)Nc4ccc(F)cc4)CN3C)CC2)cn1 19453996 WWMAELAHMBLDAN-OFNKIYASSA-N 439.579 3.910 0 40 IHAB CCCN1CCN(Cc2nccn2CC)C[C@@H](Cc2cccc(-c3cccnc3)c2)C1=O 19503072 UCRIZNSXDABHEY-XMMPIXPASA-N 431.584 3.878 0 40 IHAB CN(C)S(=O)(=O)N1CCC[C@@H](c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)C1 19688186 ALBQOEMPACAPRT-QGZVFWFLSA-N 427.492 3.677 0 40 IHAB COc1ccc(OCCN2[C@H](Cc3ccc(F)cc3)C[C@@H]3NC(=O)CCCC[C@H]32)cc1 19712124 QOSPLMICSQFORZ-FGCOXFRFSA-N 426.532 3.958 0 40 IHAB Cc1nc([C@H]2CCCN(Cc3ccccn3)C2)nc2c1CCCN2CCc1ccccn1 19752972 HDVDQUZEDMRYJS-NRFANRHFSA-N 428.584 3.950 0 40 IHAB COCC(=O)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(OC)cc1)CN2Cc1ccc(Cl)cc1 1848351924 RLGCVKHUNCDCKX-DNVJHFABSA-N 428.960 3.812 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2cc(Br)ccc2F)c1 24925477 IXFFNJMRENZJDE-UHFFFAOYSA-N 445.310 3.577 0 40 IHAB COc1ccc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)OCC(N)=O)cc1OC 33528555 YMVUYGOCZMFLHY-VBKFSLOCSA-N 432.476 3.771 0 40 IHAB O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 9367812 VHFYWFQGRYVXEG-UHFFFAOYSA-N 429.457 3.904 0 40 IHAB Cc1ccc(-n2ncc3c(=O)n(NC(=O)c4cccc(C(F)(F)F)c4)cnc32)cc1C 10252080 HAQQNHIJFXYDCB-UHFFFAOYSA-N 427.386 3.602 0 40 IHAB CCCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(C)c(Cl)c3)cc21 12180628 JXNXDEIBHQKWSN-UHFFFAOYSA-N 442.990 3.942 0 40 IHAB CC(=O)O[C@H]1C[C@]2(C)[C@@H](C(C)=O)CC[C@@H]2[C@@H]2CC[C@H]3CC4(CC(=O)[C@]3(C)[C@@H]12)OCCO4 1857622320 RUQBPCMPFRJFIH-KCXYFUNYSA-N 432.557 3.698 0 40 IHAB O=C(NC[C@@H](c1cccc2ccccc12)N1CCOCC1)c1ccc(Br)o1 23106445 ONPJEAJBGIVZPJ-SFHVURJKSA-N 429.314 3.999 0 40 IHAB Cc1nn(CCNC(=O)c2ccccc2S(=O)(=O)C(F)F)c(C)c1-c1ccsc1 575612322 AXODUORTUPLIAB-UHFFFAOYSA-N 439.509 3.655 0 40 IHAB O=c1/c(=C/C2=Cc3ccccc3OC2)sc2nc(-c3ccccc3Br)nn12 2387077 HLZBKQBRKLAYRD-YVLHZVERSA-N 438.306 3.556 0 40 IHAB O=C(CCC(=O)N1CCC[C@@H](c2nnc3ccccn23)C1)c1ccc(Br)cc1 30999767 CEVHTDXBGUOOFR-MRXNPFEDSA-N 441.329 3.861 0 40 IHAB CCOC(CSc1nnc2n1-c1sc3c(c1-c1ncnn1-2)C[C@H](C)CC3)OCC 2426888 ANOXGFAUBRLYQZ-LLVKDONJSA-N 432.575 3.506 0 40 IHAB CCOc1ccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc1 3255258 SNAPJFHUCAGYQC-UHFFFAOYSA-N 432.527 3.991 0 40 IHAB COc1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)cc1 3369708 AOZLALHMCNBYCQ-UHFFFAOYSA-N 432.448 3.704 0 40 IHAB C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NCc1ccc(Cl)cc1Cl)C2=O 3404466 ISZLALJRMDNLJN-ODXCJYRJSA-N 426.344 3.746 0 40 IHAB COC(=O)c1cc(NC(=O)COc2cc(C)ccc2C(C)C)ccc1N1CCOCC1 4711472 HMPBTFHAKQAXIF-UHFFFAOYSA-N 426.513 3.759 0 40 IHAB CCCCOc1ccc(C(=O)NCC(=O)OCC(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)cc1 8881737 KXBBQRSMVFPRLB-DFBJGRDBSA-N 444.572 3.566 0 40 IHAB O=C(Nc1nc(-c2ccccc2)cs1)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 8965511 NWZKWVZQVHFCJL-QGZVFWFLSA-N 443.550 3.520 0 40 IHAB CCOc1ccc([C@H]2Nn3c(nnc3-c3ccccc3)S[C@@H]2C(=O)NCC(C)C)cc1 9238464 GKCUDAWWWYSRHN-UXHICEINSA-N 437.569 3.875 0 40 IHAB COc1ccc(NC(=O)[C@H]2Sc3nnc(C)n3N[C@@H]2c2ccc(OC)c(Cl)c2)cc1 9238635 BKCSINXPPDCJJA-MSOLQXFVSA-N 445.932 3.655 0 40 IHAB Cc1nnnn1/C(=C\c1ccccc1)C(=O)N(Cc1ccc2c(c1)OCO2)C1CCCC1 9253821 YKSQDKNKNVHYSA-BKUYFWCQSA-N 431.496 3.680 0 40 IHAB O=C(c1ccc(Cl)c(S(=O)(=O)NCc2cccnc2)c1)N1CC[C@@H]2CCCC[C@H]2C1 9322010 TUUFWSBZOZACLN-HKUYNNGSSA-N 447.988 3.866 0 40 IHAB Cc1cc(C(=O)CSc2nnc([C@H](C)Oc3ccc(F)cc3)o2)c(C)n1-c1nnc[nH]1 9336612 LHAUFGSJKXTGHW-ZDUSSCGKSA-N 442.476 3.849 0 40 IHAB COc1ccc(S(=O)(=O)Nc2cccc(C(C)=O)c2)cc1C(=O)N1CCCCCC1 9356168 SLLCLPPURPWOOZ-UHFFFAOYSA-N 430.526 3.715 0 40 IHAB Cc1noc(C)c1COc1cccc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1 9377098 NPKBBXFUQBHGPW-UHFFFAOYSA-N 446.507 3.991 0 40 IHAB O=C(CCCCCn1cnc2ccccc2c1=O)N1CCN(c2cccc(Cl)c2)CC1 9449217 IMJJRWHBRRBHDK-UHFFFAOYSA-N 438.959 3.959 0 40 IHAB O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)N1CCC(c2nc3ccccc3s2)CC1 9461450 PTFNTVBEDUHBFY-UHFFFAOYSA-N 438.484 3.658 0 40 IHAB CN(Cc1ccccc1N1CCOCC1)C(=O)Cn1c(-c2cscn2)nc2ccccc21 9467297 BSKLKWAQRWVZLE-UHFFFAOYSA-N 447.564 3.655 0 40 IHAB Cn1c(=O)n(C/C=C/c2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(Cl)cc1 9519015 PPHNQAQIDODYDW-WEVVVXLNSA-N 447.926 3.805 0 40 IHAB CCCCCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2cccc(Cl)c2C)n(C)c1=O 9519272 BVMMYXPBXBPKMD-AWEZNQCLSA-N 429.952 3.837 0 40 IHAB COc1ccc(Cl)cc1NC(=O)CSc1ccc2nnc(-c3ccccn3)n2n1 9599796 CRMWIAJITHEYAV-UHFFFAOYSA-N 426.889 3.579 0 40 IHAB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)N(CC)Cc2ccc(Cl)s2)c1C 9836326 ZXNJFLYJQCAJKL-UHFFFAOYSA-N 426.922 3.729 0 40 IHAB CCOC(=O)c1cc(NC(=O)c2ccccc2Br)ccc1N1CCOCC1 9933567 WECUHRSYNKIHEI-UHFFFAOYSA-N 433.302 3.715 0 40 IHAB Cc1ccc(-n2ncc3c(=O)n(NC(=O)c4ccc(Cl)cc4Cl)cnc32)cc1C 10252055 RFGHIQOHRYLDNY-UHFFFAOYSA-N 428.279 3.890 0 40 IHAB CCOc1ccc(NC(=O)c2cc3ccccc3s2)cc1S(=O)(=O)N1CCOCC1 11357583 FYFCSFYVVYHCQE-UHFFFAOYSA-N 446.550 3.573 0 40 IHAB COc1ccc(C(=O)Nc2sc(SCC(N)=O)nc2-c2ccccc2)c(OC)c1 12442846 PTBGBROQJNTKGZ-UHFFFAOYSA-N 429.523 3.657 0 40 IHAB Cc1ccc(N2CCCC2=O)cc1S(=O)(=O)N1CCN=C1SCc1ccccc1F 12462405 YVFDOYBZAORARE-UHFFFAOYSA-N 447.557 3.555 0 40 IHAB CCOC(=O)c1[nH]c(C)c(C(=O)O[C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)c1C 12513406 JHUMNVRQSQXOGK-KRWDZBQOSA-N 441.528 3.983 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1ccccc1Cl)n2C 12535348 WOYJYPJTTLLCNP-UHFFFAOYSA-N 448.976 3.829 0 40 IHAB O=C(CN1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21)Nc1ccc(Cl)cc1F 12745413 ZUBCOPVCPKWXGU-FQEVSTJZSA-N 431.895 3.698 0 40 IHAB CC[C@@H](NC(=O)COc1ccc(C(=O)OC)cc1OC)c1ccc(Br)cc1 12757965 OUIUWKWCOOAKAX-MRXNPFEDSA-N 436.302 3.891 0 40 IHAB O=C(Nc1nc2c(s1)CCCCC2)c1ccc(S(=O)(=O)NCc2ccco2)cc1 12829550 ZMVNCSQKUDGOBI-UHFFFAOYSA-N 431.539 3.736 0 40 IHAB COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1 12982729 VUTHADZWLIZOKC-QFIPXVFZSA-N 445.585 3.501 0 40 IHAB O=C(Cc1c(Cl)cccc1Cl)N1CCC(NS(=O)(=O)c2ccccc2)CC1 12984208 BLDDGMURSIHVSF-UHFFFAOYSA-N 427.353 3.505 0 40 IHAB COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)cc1 12998647 XMFQXNHAWREBCS-QFIPXVFZSA-N 445.585 3.515 0 40 IHAB Cc1cccc(N(CC(=O)NCCc2ccccc2)C(=O)CCC(=O)Nc2ccccn2)c1 13501257 VOCAKDXCXPVZIS-UHFFFAOYSA-N 444.535 3.501 0 40 IHAB CCc1cc2ccccc2nc1SCC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 13503552 JPQCPGHQJAGEPM-UHFFFAOYSA-N 429.567 3.778 0 40 IHAB COc1ccc(C(=O)Nc2ccc(F)cc2)cc1S(=O)(=O)NCCc1ccccc1 13581810 NEASTDNRXYQPJL-UHFFFAOYSA-N 428.485 3.608 0 40 IHAB O=C(NCc1ccc(Cn2cccn2)cc1)c1nccnc1-c1nc2ccccc2s1 14095306 WLMINSSDDUNZEN-UHFFFAOYSA-N 426.505 3.928 0 40 IHAB O=C(Nc1ccc(C(F)(F)F)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 15580573 QSIBUEKTJBQGSY-ZDUSSCGKSA-N 430.423 3.884 0 40 IHAB CC(=O)Nc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(Cl)c(C)cc2O3)cc1 19125655 UQAUMGXHIRLYEN-YADHBBJMSA-N 444.959 3.991 0 40 IHAB Cc1cnccc1-c1cnc(N(C)C)nc1[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 19239862 WSWDRKKXCXEBMC-HXUWFJFHSA-N 441.532 3.578 0 40 IHAB CCn1ncc(CN2CCC([C@@H]3C[C@@H](C(=O)Nc4ccc(F)cc4)CN3C)CC2)c1C 19523930 WASZKEBCFSFDHY-XXBNENTESA-N 427.568 3.522 0 40 IHAB CN1CCc2nc([C@@H]3CCCCN3C(=O)CCc3cccc(Cl)c3)nc(N(C)C)c2C1 19710270 ISTCTOVMWTZRFR-NRFANRHFSA-N 442.007 3.870 0 40 IHAB CCSc1ccccc1NC(=O)CN(c1ccccc1Br)S(C)(=O)=O 19934571 LHJDAVWYIFIQKT-UHFFFAOYSA-N 443.388 3.966 0 40 IHAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CCSCc3ccccc3)cc2)n1 20457380 NPQKMIIIHQVNMV-UHFFFAOYSA-N 442.566 3.848 0 40 IHAB COc1ccc([C@H](C)NC(=O)CCCN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1OC 20460695 KDPXJBVHALUXRO-SFHVURJKSA-N 448.585 3.744 0 40 IHAB COc1ccc(SCC(=O)Nc2ccccc2C(=O)NCc2cccnc2)cc1OC 20492793 PSLDOBSENDIFEI-UHFFFAOYSA-N 437.521 3.760 0 40 IHAB Cc1nc2sc([C@@H](c3cccs3)N3CCN(Cc4ccccc4)CC3)c(O)n2n1 22876446 KSTAJLUNRIKFHD-GOSISDBHSA-N 425.583 3.774 0 40 IHAB CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CC[C@@H]4CCCC[C@@H]4C3)CC2)cc1 24231548 MBLJMFLIBSKYAN-KSEOMHKRSA-N 446.613 3.765 0 40 IHAB COc1ccc(Cl)cc1NC(=O)C1CCN(S(=O)(=O)Cc2cccc(C)c2)CC1 24612270 SEEKLNDIVIHERM-UHFFFAOYSA-N 436.961 3.838 0 40 IHAB CCOc1ccc(S(=O)(=O)N(C)Cc2cc(-c3ccc(OC)cc3)no2)cc1OCC 24750120 MXYHFYBRDMBABC-UHFFFAOYSA-N 446.525 3.968 0 40 IHAB CCCCn1nc(C(=O)OCc2csc(N(C(C)=O)c3ccccc3F)n2)ccc1=O 24878624 KWUSCXOYEIZGPY-UHFFFAOYSA-N 444.488 3.681 0 40 IHAB COc1ccc([C@@H]2CCCN2C(=O)C[C@@H](NC(N)=O)c2ccc(Cl)cc2)cc1OC 25613004 MOBHPEFRXINQAI-MSOLQXFVSA-N 431.920 3.820 0 40 IHAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)NCCC3=CCCCC3)c12 25717065 URYVQNCTCAZALL-SFHVURJKSA-N 442.585 3.597 0 40 IHAB COc1ccc(C(=O)Nc2cccc(C)n2)cc1S(=O)(=O)N1CCCc2ccccc21 27655646 ZZQJROBTKAKSNU-UHFFFAOYSA-N 437.521 3.792 0 40 IHAB Cc1cc(C(=O)N2CCC[C@@H](c3nnc4ccccn34)C2)c2nc3n(c2n1)CCCCC3 32770916 PUWRTIMCRGSIHF-QGZVFWFLSA-N 429.528 3.529 0 40 IHAB C[C@@H]1C[C@@H](C)CN(Cc2ccccc2CNC(=O)c2ccc(CS(C)(=O)=O)cc2)C1 48344583 ZZQZEOSPTSJZGI-RTBURBONSA-N 428.598 3.639 0 40 IHAB O=C(NC1CCN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)CC1)c1cccc(Cl)c1 49406613 QJQNVDAZZBHDGH-UHFFFAOYSA-N 426.879 3.904 0 40 IHAB CCc1nc2ccccc2n1CC(=O)N1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 58313231 UFCXLUFILHBZGB-QGZVFWFLSA-N 437.519 3.798 0 40 IHAB Cc1ccc(-c2cc3c(=O)n(CCC(=O)NCc4cc(F)cc(F)c4)ccn3n2)cc1C 67260880 QZVSYJFPNUKCMF-UHFFFAOYSA-N 436.462 3.765 0 40 IHAB O=C(NCc1nnc2n1CCCCC2)c1cccnc1Oc1ccc(Br)cc1 71898626 WUSZKOWRQVQTQI-UHFFFAOYSA-N 442.317 3.884 0 40 IHAB C/C=C/c1ccc(OC[C@@H](O)CN(CCC(=O)OC)Cc2cccc(F)c2F)c(OC)c1 72305042 WMQMCRPTMLJPRC-OQBYNLHGSA-N 449.494 3.812 0 40 IHAB COc1cccc(C(=O)N2CCNC(=O)[C@H]2Cc2cccc(-c3ccccc3C)c2)c1OC 72351915 UFEKXOCDUAXCIY-HSZRJFAPSA-N 444.531 3.863 0 40 IHAB COc1cc(CN2CCC(c3cc(O)nc(-c4cccnc4)n3)CC2)cc(OC)c1OC 72392759 QOSOJDWBERUBLE-UHFFFAOYSA-N 436.512 3.650 0 40 IHAB CN1CCn2c(-c3cccc(F)c3)cnc2C12CCN(C(=O)NCc1ccccc1)CC2 96144951 RNBMJRYCKGWPEI-UHFFFAOYSA-N 433.531 3.836 0 40 IHAB COc1cccc(CC(=O)N2CCC(c3nc4ccc(-c5ccncc5)cn4n3)CC2)c1 96155789 FDUIENRZPPQCCS-UHFFFAOYSA-N 427.508 3.749 0 40 IHAB COc1ccc(Br)c(C(=O)N2CCC[C@@H]2CS(=O)(=O)c2ccccc2)c1 96366836 IQERFCTYPOEYIW-CQSZACIVSA-N 438.343 3.536 0 40 IHAB CN1CCC2(CC1)C[C@H](NC(=O)CC[C@H]1Cc3ccccc3NC1=O)c1ccccc1O2 96997619 ANOOBBDKNIDLQQ-UGKGYDQZSA-N 433.552 3.682 0 40 IHAB O=C1[C@H]2[C@H](C(=O)N1c1cccc(Cl)c1)N1CCCN1[C@H]2c1ccc(Br)cc1 101087833 LTXBXKMAYZVNNP-FGTMMUONSA-N 446.732 3.638 0 40 IHAB COc1cc(NC(=O)C23C[C@@H]4C[C@@H](C2)CC(n2nnc(C)n2)(C4)C3)c(OC)cc1Cl 101272969 VWKXYJYAUBETEV-SUXCYGLUSA-N 431.924 3.586 0 40 IHAB CCOc1ccc(COc2ccc(N3C(=O)[C@H]4[C@@H]5CC[C@H](O5)[C@@H]4C3=O)cc2)cc1OCC 102445139 RTAQEHIFPNSBIV-SQOUVECCSA-N 437.492 3.730 0 40 IHAB C[C@H](C(=O)N1CCc2ccccc2C1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 220247763 JFSYCMSGLRLKPO-CYBMUJFWSA-N 427.353 3.733 0 40 IHAB CCc1ccc(N([C@H](C)C(=O)NCCCc2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1 220286483 FJVDVBWTLIUTFC-LJQANCHMSA-N 446.613 3.940 0 40 IHAB CC[C@H](C(=O)Nc1ccc2c(c1)OCO2)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 220702450 NPWKQPOUCISDJF-OAHLLOKOSA-N 445.324 3.905 0 40 IHAB CC[C@@H](C(=O)NCCC1=CCCCC1)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 220748780 GTZHUXYQFIAUIV-SFHVURJKSA-N 428.982 3.900 0 40 IHAB COc1cc(CNC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)ccc1OC(C)C 222570780 KPSDNPWYOJAKEH-UHFFFAOYSA-N 446.569 3.651 0 40 IHAB CCOc1ccccc1N(CCCC(=O)NCCSC1CCCCC1)S(C)(=O)=O 222611510 DIWDEDUMTZMIKF-UHFFFAOYSA-N 442.647 3.814 0 40 IHAB CN(C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cn1 223239944 OJIUYWXRKHTAHU-SFTDATJTSA-N 441.004 3.845 0 40 IHAB Cc1ccc(N([C@@H](C)C(=O)NCCOc2ccccc2C(C)(C)C)S(C)(=O)=O)cc1C 223687627 LTQOPXQKLFDNMT-IBGZPJMESA-N 446.613 3.951 0 40 IHAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1ccc(Br)cc1 224123116 RIIODOGEUTYQPK-LJQANCHMSA-N 433.346 3.771 0 40 IHAB COc1ccc(S(=O)(=O)NCCOc2ccc(C)c(Cl)c2)cc1Br 224142037 UZHOZSANHASVRJ-UHFFFAOYSA-N 434.739 3.777 0 40 IHAB CC[C@@H](C(=O)NCCSC1CCCC1)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 224468961 YKKJXVRJSMVZNU-KRWDZBQOSA-N 449.038 3.685 0 40 IHAB CC(C)(C)c1ccc(OCCNC(=O)CCCN(c2ccccc2)S(C)(=O)=O)cc1 224625950 YEKAVJNLHDWWJT-UHFFFAOYSA-N 432.586 3.726 0 40 IHAB C[C@@H](C(=O)NC(C)(C)Cc1ccccc1)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 225119365 DWACAXJMHNRBOA-HNNXBMFYSA-N 442.503 3.997 0 40 IHAB O=C(NC1CCCC1)[C@@H]1N(CCc2ccccc2)C(=O)[C@@H]2[C@@H](c3ccccc3)[C@H]3C=C[C@]21O3 245227813 VXXBXHDZSRRRIA-VAYYAVMJSA-N 442.559 3.606 0 40 IHAB Cc1nc([C@H]2CCN(C(=O)c3cccnc3)C2)nc2c1CCC(=O)N2CC1CCCCC1 257248154 JCJLCEDPWCMQHK-FQEVSTJZSA-N 433.556 3.669 0 40 IHAB O=C(c1ccccc1Cn1ccnc1)N1CCOC[C@H](Cc2cccc3ccncc23)C1 257288796 PVSKQXMEFMWUHT-HXUWFJFHSA-N 426.520 3.811 0 40 IHAB CC(=O)N1[C@@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)CN1CCCCCC1 257310270 UEKXVWINVXQXIV-GAYSTUHSSA-N 437.628 3.864 0 40 IHAB CCCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCCC3)c2)cc1 408593840 NQPYMTJGTIZCGX-UHFFFAOYSA-N 444.553 3.989 0 40 IHAB Cc1ccc([C@@H](CCC(=O)O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 408604070 DFEZWPRNXRNXSQ-HXUWFJFHSA-N 436.961 3.561 0 40 IHAB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3cccs3)C(=O)c3ccccc3Cl)C(=O)[C@H]2C1 408647563 JLTDXUGYTVWSIG-HOCLYGCPSA-N 442.924 3.983 0 40 IHAB COc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccccc3C)[C@@H]2c2ccc(Cl)cc2)cc1 409059073 OVBONPFCSQLIQT-LMOLPZMTSA-O 448.930 3.673 0 40 IHAB CCc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(Cl)c2)CC1 409357540 ITRSVUZMVNSZKP-UHFFFAOYSA-N 436.961 3.950 0 40 IHAB COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)CCn1ccc2cc(OC)ccc21 524729300 NCRVXTDDQIFXPG-JTHBVZDNSA-N 427.589 3.780 0 40 IHAB biogenic COc1cc(NC(=O)c2cc3nc(C(F)F)cc(C(F)F)n3n2)cc(OC)c1OC 655814 YSDDOJIOINYTNG-UHFFFAOYSA-N 428.342 3.883 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCC(=O)c3ccccc3F)o2)cc1 922278 JHXYURXIZJJDKW-UHFFFAOYSA-N 449.529 3.881 0 40 IHAB Cc1nn(CCCNC(=O)CCS(=O)(=O)c2ccc3ccccc3c2)c(C)c1Cl 2809690 QHMPMXPTOCFQCV-UHFFFAOYSA-N 433.961 3.677 0 40 IHAB O=S(=O)(Nc1nc2ccccc2nc1NC1CCCC1)c1ccc2c(c1)OCCO2 3289990 XMRVFOOQBDUIAJ-UHFFFAOYSA-N 426.498 3.556 0 40 IHAB Cc1ccc(NC(=O)CN(C)CC(=O)Nc2ccccc2C(=O)Nc2ccccc2)cc1 3356614 LVPVZBKASZMZOY-UHFFFAOYSA-N 430.508 3.756 0 40 IHAB COc1ccc(Cc2nnc(SCC(=O)NC34CC5CC(CC(C5)C3)C4)n2C)cc1 4816195 YCKUEKDJRQMWSJ-UHFFFAOYSA-N 426.586 3.592 0 40 IHAB COCCCn1c(C)cc(C(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1C 6110511 AIYZJHOJIXRNTG-CQSZACIVSA-N 427.570 3.921 0 40 IHAB O=C(CN1CCC[C@H](c2nc3ccccc3s2)C1)Nc1ccc(N2CCOCC2)cc1 8720558 ZZDWNRGFXARGMC-SFHVURJKSA-N 436.581 3.951 0 40 IHAB C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N(C)Cc1ccccc1N1CCCCC1 8721068 RZKJJIQFGLZGNP-OAQYLSRUSA-N 436.600 3.973 0 40 IHAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)COc1ccccc1-c1ccccc1 8965679 QCTIIRLUQGHXJM-UHFFFAOYSA-N 443.503 3.644 0 40 IHAB COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2C(C)(C)CO[C@H]3c2ccccc2)cc1 8971257 YGJXOHQKXGDKKT-QHCPKHFHSA-N 445.519 3.569 0 40 IHAB Cc1ccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(CCCc3ccccc3)c(=O)n2C)cc1 9160570 ZIMAAKIAJMWVKI-IBGZPJMESA-N 443.551 3.626 0 40 IHAB CCc1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@H](C(=O)Nc1ccc(OC)cc1)S2 9198002 MCOHGZINXYJGQD-ZWKOTPCHSA-N 429.933 3.900 0 40 IHAB Cc1ccc(C(=O)COC(=O)c2ccccc2N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1C 9201468 SWRWWTDDKKIXBK-WKZKVMAPSA-N 429.472 3.655 0 40 IHAB CS(=O)(=O)Nc1ccccc1C1=NN(C(=O)c2ccco2)[C@H](c2ccccc2F)C1 9378565 SLNDPHALNBCVSH-IBGZPJMESA-N 427.457 3.782 0 40 IHAB CCc1nn2c(=O)cc(CSc3nnc(-c4ccc(OC)cc4)n3C(C)C)nc2s1 9411607 JRIFHHDGRHBUOF-UHFFFAOYSA-N 442.570 3.854 0 40 IHAB O=C(Nc1ccc2ncccc2c1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 9422649 FUOXKNCARPMDHG-UHFFFAOYSA-N 429.929 3.928 0 40 IHAB COC(=O)c1c(NC(=O)COC(=O)CCC(=O)c2cc(C)sc2C)sc(C)c1C 9464514 DZBAENURCUZXLU-UHFFFAOYSA-N 437.539 3.975 0 40 IHAB CC(=O)NCc1ccc(C(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)s1 9499863 BNTWXXRQAIHRFR-UHFFFAOYSA-N 426.567 3.876 0 40 IHAB Cc1ccc(-c2nc3scc(CCNC(=O)C(=O)Nc4cccc(Cl)c4)n3n2)cc1 9568965 OMGFMLRJFNRIAM-UHFFFAOYSA-N 439.928 3.717 0 40 IHAB O=C(CN1CCC[C@@H]1c1nc2ccccc2s1)NC(=O)Nc1ccc2c(c1)OCCO2 9711763 SMBHCARSVKWSSQ-MRXNPFEDSA-N 438.509 3.553 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2cccc(C(F)(F)F)c2)ccc1OC 9753438 PIRBYRPNOYDTFZ-UHFFFAOYSA-N 444.475 3.675 0 40 IHAB Cc1cc(C)c(NC(=O)CNC(=O)COC(=O)CCC(=O)c2cc(C)sc2C)c(C)c1 9841616 CGSZFDAJRIIXJM-UHFFFAOYSA-N 444.553 3.551 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2c(C)cc(C)cc2C)C1 9974797 SQWOOJXIMFEXGV-IBGZPJMESA-N 430.570 3.968 0 40 IHAB Cc1ccc(-c2nnc(SCC(=O)NC(=O)NC34CC5CC(CC(C5)C3)C4)n2C)cc1 10263907 AFQXGSHDBJCCSZ-UHFFFAOYSA-N 439.585 3.677 0 40 IHAB COc1ccccc1-c1nnc(SCC(=O)Nc2cccc(C(=O)OC(C)C)c2)[nH]1 10475529 QZXDEAHUJONDGE-UHFFFAOYSA-N 426.498 3.776 0 40 IHAB O=S(=O)(c1ccc2ccccc2c1)N1CCN(c2ccc(-c3ccccc3)nn2)CC1 11695324 HNMUJNDYERZAGP-UHFFFAOYSA-N 430.533 3.808 0 40 IHAB O=C(/C=C/c1ccccc1Cl)NC[C@H]1CCC2(CCN(C(=O)c3ccoc3)CC2)O1 11880908 HLLBNJBHWZQPTR-ZMBJWTFHSA-N 428.916 3.916 0 40 IHAB Cc1ccc(-c2nc(S(=O)(=O)c3ccc(C)cc3)c(NCCN3CCOCC3)o2)cc1 12419182 YPCQWHGIKYHROM-UHFFFAOYSA-N 441.553 3.535 0 40 IHAB NC(=O)C1CCN(c2oc(-c3ccccc3)nc2S(=O)(=O)c2ccc(Cl)cc2)CC1 12419310 GQBANWQNFWTTNK-UHFFFAOYSA-N 445.928 3.530 0 40 IHAB COc1cc(NC(=O)CCCn2nc(-c3ccc(Cl)cc3)ccc2=O)cc(OC)c1 12440895 KXGBNASWUJUWOG-UHFFFAOYSA-N 427.888 4.000 0 40 IHAB O=S(=O)(c1ccc(F)c(Cl)c1)N1CCN(c2ccc(-c3cccs3)nn2)CC1 12443587 ISUOSGMGAUESIS-UHFFFAOYSA-N 438.937 3.509 0 40 IHAB COc1ccccc1N1CCN(C(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)CC1 12545032 SSCAREYHCOKVDY-LJQANCHMSA-N 431.945 3.500 0 40 IHAB Cn1c(C[C@H](NC(=O)c2ccc(S(C)(=O)=O)cc2)c2ccccc2)nc2ccccc21 12628738 WKHCVOXDUSIYNQ-NRFANRHFSA-N 433.533 3.691 0 40 IHAB CC(C)N1CCC(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)CC1 12783246 RMYFDOPYCNQIHK-UHFFFAOYSA-N 435.977 3.743 0 40 IHAB Cc1ccc(NC(=O)CN2CCN(C(=O)CN[C@H](C)c3cccc4ccccc34)CC2)cc1 12809421 CLIHCHXEVFRHGL-OAQYLSRUSA-N 444.579 3.582 0 40 IHAB C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)O[C@@H](C)C(=O)N1CCCc2ccccc21 12911243 SNLPQDDMPRIANC-NBMUQTNRSA-N 438.568 3.619 0 40 IHAB CCc1ccccc1NC(=O)CN(C)C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O 12995614 KNFJBVBKVNJFMY-GOSISDBHSA-N 431.945 3.802 0 40 IHAB COCCOC(=O)C1=C(C)N(c2ccc(C(=O)O)cc2)C(=O)N[C@@H]1c1ccccc1Cl 13073437 PWVVUZOQCFVNJG-LJQANCHMSA-N 444.871 3.773 0 40 IHAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CC3(C(=O)O)CCCCCC3)cc2)no1 13253757 PQJHBEAJERMVOA-UHFFFAOYSA-N 435.502 3.538 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)N2c3cccc4cccc(c34)S2(=O)=O)c(C)c1 13669940 PRVGNDBDWPVMIA-OAHLLOKOSA-N 438.505 3.861 0 40 IHAB NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 14121203 ADPHHFOWEGIKQE-QHCPKHFHSA-N 440.478 3.731 0 40 IHAB COc1ccc([C@H](CNC(=O)c2ccc(C3SCCS3)cc2)N2CCOCC2)cc1 14183942 HRBFKEUJQNPPLB-NRFANRHFSA-N 444.622 3.977 0 40 IHAB O=C(CN1CCN(c2nc(-c3ccccc3)c3ccccc3n2)CC1)NCc1ccccc1 14196598 BATKDFYTWUZKBC-UHFFFAOYSA-N 437.547 3.735 0 40 IHAB Cc1noc2nc(-c3cccs3)cc(C(=O)N3CCN(C(=O)N4CCCCC4)CC3)c12 14491148 RZRZMUXEULLUKE-UHFFFAOYSA-N 439.541 3.623 0 40 IHAB CC(=O)N1CCCc2cc(S(=O)(=O)NCCOc3ccc(C(C)(C)C)cc3)ccc21 15332158 AEUOCGDFESZHDS-UHFFFAOYSA-N 430.570 3.641 0 40 IHAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 15577300 DEAABJKECFOBHB-UHFFFAOYSA-N 432.329 3.638 0 40 IHAB CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NCc3ccccc3F)cc2)cc1 15976763 PCXMHRBSLZGJKC-UHFFFAOYSA-N 428.485 3.955 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)OCc2nc3ccccc3s2)cc1 16686158 HAWZVTJNBJILPO-GOSISDBHSA-N 430.551 3.891 0 40 IHAB COc1ccc(OC)c(NC(=O)Cn2c(C)nc3c(sc4cccc(F)c43)c2=O)c1 16842256 CGNBQJDQWVPNGN-UHFFFAOYSA-N 427.457 3.715 0 40 IHAB Cc1ccc(-n2ncc3c(O)nc(-n4nc(C)cc4NC(=O)c4cccc(F)c4)nc32)cc1 16847678 GBDICFGORSSERK-UHFFFAOYSA-N 443.442 3.715 0 40 IHAB COc1ccccc1N1CCN(C[C@@H](O)COCCOc2ccc(C(C)(C)C)cc2)CC1 17112911 VNBQMHNPLUSPSM-JOCHJYFZSA-N 442.600 3.571 0 40 IHAB COC(=O)c1ccc(C)c(-n2c(N)c(C(=O)NCc3ccc(OC)cc3)sc2=S)c1 17121473 DEQHPGAWWAOCIC-UHFFFAOYSA-N 443.550 3.884 0 40 IHAB CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cc1 17270196 ULGOGLUAPDBJAR-UHFFFAOYSA-N 449.598 3.971 0 40 IHAB CCOc1c(Br)cc(C(=O)N(C)CC(=O)Nc2cccc(F)c2)cc1OC 18006009 ICTIWOBAIQXGRW-UHFFFAOYSA-N 439.281 3.706 0 40 IHAB CSCC[C@@H](NC(=O)c1cc2cc(C)ccc2n1C)c1cc(=O)[nH]c(-c2ccccn2)n1 19221227 FFWZURJLIGDYFO-QGZVFWFLSA-N 447.564 3.856 0 40 IHAB COc1cccc(-c2cccc(C[C@H]3CN(C(=O)c4ccccc4OC)CCNC3=O)c2)c1 19566705 MWJNZFKJIZJERK-QFIPXVFZSA-N 444.531 3.802 0 40 IHAB COc1ccccc1C1=NO[C@@H](CC2(C(=O)NCCc3ccc(F)cc3)CCOCC2)C1 19569362 QWCTZGNHRMXRAY-HXUWFJFHSA-N 440.515 3.873 0 40 IHAB Cc1cnc(C(=O)N2CCC(c3nc(C)c4c(n3)N(Cc3ccccc3)CCC4)CC2)cn1 19705732 ZWUDTKOQPJXHML-UHFFFAOYSA-N 442.567 3.856 0 40 IHAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccc(SC)cc2)cc1Cl 20013971 FVMKDEKMNOYSFX-ZDUSSCGKSA-N 442.990 3.568 0 40 IHAB COc1ccc(C(=O)O)cc1NC(=O)c1cc(I)ccc1Cl 20138527 MFRMLAHVWJMNLR-UHFFFAOYSA-N 431.613 3.904 0 40 IHAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCCCc3ccccc3Cl)CC2)cc1 20491207 PDGHBMPCILCDRT-UHFFFAOYSA-N 449.016 3.939 0 40 IHAB CCOc1ccc2nc(Nc3nc(-c4ccc(OC)c(OC)c4)cc(=O)[nH]3)nc(C)c2c1 20634006 ZEXPHUJYUJUZCT-UHFFFAOYSA-N 433.468 3.848 0 40 IHAB C[C@H]1CC(=O)c2c(nc(N3CCN(C(=O)c4ccco4)CC3)nc2Nc2ccccc2)C1 20801901 JCNTYAUDBZQIQK-MRXNPFEDSA-N 431.496 3.541 0 40 IHAB CCOc1c(Cl)cc(CNCCCSc2nnnn2-c2ccccc2)cc1OC 22109030 GFYWQIZUVNFYBC-UHFFFAOYSA-N 433.965 3.995 0 40 IHAB O=C(CCN1CCN(Cc2ccc(Br)s2)CC1)Nc1ccc(F)c(F)c1 22930461 OYBCTHYYBOKDJU-UHFFFAOYSA-N 444.345 3.935 0 40 IHAB Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)C1CCN(c2ccc3nncn3n2)CC1 24841512 IXFJKLHXNQAULZ-UHFFFAOYSA-N 434.588 3.614 0 40 IHAB O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)COc2ccc(Br)cc2F)C1 24868743 OFXITXHGIYFVEF-CQSZACIVSA-N 435.293 3.844 0 40 IHAB COC(=O)Cc1ccc(NC(=O)c2cnn(-c3ccc(Br)cc3)c2C)cc1 26850141 ZPSJLPKLSBOPAZ-UHFFFAOYSA-N 428.286 3.911 0 40 IHAB CCCNC(=O)c1ccccc1NC(=O)/C=C/c1ccc(S(=O)(=O)N(CC)CC)cc1 27395528 JBUHBVFMNDATGA-DTQAZKPQSA-N 443.569 3.509 0 40 IHAB COc1ccc(CN(Cc2coc(-c3ccc(F)cc3)n2)[C@H]2CCS(=O)(=O)C2)cc1 27654602 GVJWKQFCHMQVEQ-FQEVSTJZSA-N 430.501 3.679 0 40 IHAB O=C(COc1ccc2ccccc2c1Br)NC[C@H]1COc2ccccc2O1 29756639 NVALFYSBCWQREG-HNNXBMFYSA-N 428.282 3.937 0 40 IHAB CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 32674829 DWTGYUIJOCFICN-FIKKOMSHSA-N 437.628 3.734 0 40 IHAB Cc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3)nn2[C@H]2CCS(=O)(=O)C2)cc1C 33325834 DMIWCAGBVUPYJL-IBGZPJMESA-N 427.501 3.918 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCC3=CCCCC3)cc2)cc1 34878307 YZXZJYABCNIPSB-UHFFFAOYSA-N 444.553 3.882 0 40 IHAB CCOC(=O)[C@H]1CCCN([C@H](c2ccc(OCC)cc2)c2sc3nc(C)nn3c2O)C1 36370381 LAAOEHWWDROFND-FUHWJXTLSA-N 444.557 3.568 0 40 IHAB CC(C)n1cc2c(C(F)(F)F)cc(=O)n(CCC(=O)Nc3cccnc3Cl)c2n1 36621432 UFLPYBTXMOFVGJ-UHFFFAOYSA-N 427.814 3.875 0 40 IHAB CCOc1c(C)cc(S(=O)(=O)NCCCCN2CCO[C@@H](c3ccccc3)C2)cc1C 36700446 MDQIGIZVHSUILP-HSZRJFAPSA-N 446.613 3.834 0 40 IHAB O=C(COc1ccc(Cl)cc1Cl)N1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2)CC1 38725760 OZOJOQYQQPPVJS-ROUUACIJSA-N 433.335 3.847 0 40 IHAB CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=S)N[C@H]1c1cnc(N2CCCC2)nc1 40152379 ANLLZOFFCXAEBD-FQEVSTJZSA-N 437.569 3.658 0 40 IHAB Cc1cccc(C(=O)Nc2cc(C(=O)OCc3cc(=O)n4oc(C)cc4n3)ccc2C)c1 41089568 XSXPURZKROPLET-UHFFFAOYSA-N 431.448 3.822 0 40 IHAB C[C@@H]1CCCN(c2ccc(-c3noc(CN4CCN(c5ccccc5F)CC4)n3)cn2)C1 49409665 IXKPFUZKNGWIPO-GOSISDBHSA-N 436.535 3.829 0 40 IHAB CC(=O)Nc1ccc2c(CSc3nnc(-c4ccc5c(c4)OCO5)o3)cc(=O)oc2c1 49579029 WTACHRIABLJZAY-UHFFFAOYSA-N 437.433 3.822 0 40 IHAB Cc1cccc(N2CCN(CCCCNC(=O)[C@H](c3ccccc3)N3CCCC3)CC2)c1 71794496 ZQJDGIJAVLATGB-SANMLTNESA-N 434.628 3.851 0 40 IHAB O=C(Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)N1CCC[C@H](c2nnc3n2CCC3)C1 95454967 QCODRCLXMCVEFT-AWEZNQCLSA-N 445.449 3.840 0 40 IHAB COc1cc(C(=O)N[C@H](C)CN(C)Cc2ccccc2)ccc1OCc1cscn1 95463208 GBLADRYTIJTCQP-QGZVFWFLSA-N 425.554 3.981 0 40 IHAB COC(=O)C[C@@H](c1ccc(OCCc2ccccc2)c(OC)c1)c1oc(C)cc(=O)c1O 96115168 MEKDSOQZHJJKCH-IBGZPJMESA-N 438.476 3.979 0 40 IHAB biogenic Cc1c(OCC(=O)NC[C@H]2CCCN3CCCC[C@H]23)ccc2c3c(c(=O)oc12)CCCC3 96343564 AKTPBSFLMVSNAN-XMSQKQJNSA-N 438.568 3.740 0 40 IHAB CN(C)S(=O)(=O)c1cccc(C2=N/C(=C/c3ccc(-c4ccccc4)cc3)C(=O)O2)c1 96814888 BHRPBXGBWBIATE-PXLXIMEGSA-N 432.501 3.948 0 40 IHAB O=C(CN1CCN(Cc2nc3ccccc3s2)CC1)N1CC=C(c2ccccc2)CC1 96908289 XWDPATKUTLKDJN-UHFFFAOYSA-N 432.593 3.730 0 40 IHAB CC(C)(C)OC(=O)[C@@H]1CCCN(C(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)C1 97145726 BGICGSOOTLLAKM-CQSZACIVSA-N 431.483 3.833 0 40 IHAB CCCC(=O)N1CCc2nc3cc(C4CCN(C[C@@H]5CC=CCC5)CC4)nn3c(O)c2C1 100232706 ZDTAVEDKDONHDY-GOSISDBHSA-N 437.588 3.655 0 40 IHAB CCC(=O)N1CCc2c(nc3cc([C@H]4CCCCN4Cc4cccs4)nn3c2O)C1 100234114 VXYQSMNOBRDWDP-LJQANCHMSA-N 425.558 3.518 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)/N=c2/sc3cc(C)cc(C)c3n2C)cc1 100819097 YFQYACWYQWRAKN-QURGRASLSA-N 431.583 3.628 0 40 IHAB CCCCN(C)S(=O)(=O)c1ccc(C(=O)/N=c2/sc3ccccc3n2CC)cc1 100821239 NSECZPCIIOARMW-QURGRASLSA-N 431.583 3.884 0 40 IHAB C[C@H](OC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)C(=O)N1[C@@H](C)CCC[C@@H]1C 104109985 FZYMTOXTKACNBW-LSTDLKDCSA-N 434.964 3.913 0 40 IHAB CCOC(=O)[C@H]1[C@H]2NC(=S)N(c3ccc(CC)cc3)[C@@]1(C)Oc1c(OC)cccc12 104784941 ZHTBDLHILCXXHJ-MSYCTHLASA-N 426.538 3.981 0 40 IHAB Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]2[C@@H]2CCCN21 106535187 UOUDTJKJGXFWJA-GBWYYYKWSA-N 449.938 3.696 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCc1ccc(F)cc1)c1cccc(C(F)(F)F)c1 113961760 SAJCJBDGUIIMBV-UHFFFAOYSA-N 432.439 3.707 0 40 IHAB CC(C)(C)SCCNC(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 113962532 IBXPGTBIZVROGI-UHFFFAOYSA-N 440.553 3.900 0 40 IHAB CC[C@@H](C(=O)N[C@H](C)COc1ccccc1C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 219123884 ARRDFNWUNRAYNY-CTNGQTDRSA-N 432.586 3.740 0 40 IHAB COc1ccc(N([C@@H](C)C(=O)Nc2cccc3ccccc23)S(C)(=O)=O)cc1OC 220226356 TZYAUFJIACBRCX-HNNXBMFYSA-N 428.510 3.650 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1 220531770 MZBFJEVUFTVHRX-IBGZPJMESA-N 432.542 3.663 0 40 IHAB CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN1C(=O)c2cccc3cccc1c23 222625557 VWJNPLJTCUGENI-QGZVFWFLSA-N 447.510 3.883 0 40 IHAB CC[C@@H](C(=O)NCCSC1CCCC1)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 222736268 MRNBYPWOQUSMCJ-INIZCTEOSA-N 449.038 3.685 0 40 IHAB COc1ccc(N(C)C(=O)CCc2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1 222866402 HLFMGBZGAJPFNE-UHFFFAOYSA-N 438.549 3.769 0 40 IHAB O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1cc(-c2cccc(F)c2)[nH]n1 223046765 PIRGUNBKGXCVDL-UHFFFAOYSA-N 442.516 3.572 0 40 IHAB CCOC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(OC)c(OC)c1 224813574 YPDIRWUPLHYSCS-UHFFFAOYSA-N 448.324 3.769 0 40 IHAB CC(=O)N1CCCc2cc(S(=O)(=O)Nc3ccc4c(c3)sc(=O)n4C(C)C)ccc21 225177792 UXYTVVQIHINHRM-UHFFFAOYSA-N 445.566 3.744 0 40 IHAB CC(C)Oc1ccc(CCCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1 225544244 PYESSUYZBPSVBB-UHFFFAOYSA-N 442.581 3.684 0 40 IHAB O=C(NC1CCCC1)c1c(NC(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)O)sc2c1CCCC2 225762922 NREUYICLZRUXEU-RUZGCFLTSA-N 428.554 3.761 0 40 IHAB CCc1ccc([C@H](C)NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1 225835214 FXILHVMXKCASQF-AWEZNQCLSA-N 439.375 3.655 0 40 IHAB COc1ccc(CN(C)C(=O)c2ccc3c(c2)S(=O)(=O)N=C(C)N3CC(C)C)cc1 225867003 QUXZZTYSKZGKHY-UHFFFAOYSA-N 429.542 3.551 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(C)ccc2C)cc1 225931074 IUPPCAJWFVHWEK-UHFFFAOYSA-N 432.542 3.520 0 40 IHAB Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)NCCCN2CCC[C@H](C)C2)c1 260561421 DHNLZAJZQTYEHJ-IBGZPJMESA-N 443.613 3.672 0 40 IHAB COc1cc(NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)c(OC)cc1Cl 408616705 BGUWNSKTTZUIOF-UHFFFAOYSA-N 447.340 3.724 0 40 IHAB Cc1ccc(-c2nnc(CN(C)C(=O)c3ccc(I)cc3)o2)cc1 408714043 HGQPNGLLSGNNSD-UHFFFAOYSA-N 433.249 3.922 0 40 IHAB CC[C@@H](C)Oc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1OC 409098568 PHHFNYLRHOVSPN-PUMYGXPMSA-N 437.496 3.712 0 40 IHAB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(OC(C)C)c(OC)c2)C1=O 409233745 WMXYTAPQSYGQAD-XDHOZWIPSA-N 437.496 3.576 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCCCCC3)CC2)cc1Cl 409355032 BRZLHYVBDBQELL-UHFFFAOYSA-N 428.982 3.588 0 40 IHAB CC(C)CCNC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1 409385721 CLKHDVAEGUTMAV-UHFFFAOYSA-N 426.941 3.832 0 40 IHAB CCCCCNC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1Cl 409392349 RLGZMTFLNBBRJN-UHFFFAOYSA-N 436.961 3.777 0 40 IHAB O=C(COc1ccc(Cl)cc1Cl)N1CCN(c2ccc(C(F)(F)F)nn2)CC1 468737834 FNUJDXUJEUCEOM-UHFFFAOYSA-N 435.233 3.530 0 40 IHAB O=C(Cc1ccc(N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1)N1CCOCC1 540855064 PDZCZPUTEABICD-FQEVSTJZSA-N 448.350 3.612 0 40 IHAB O=S(=O)(c1ccc(Br)cc1)N1[C@H]2CC[C@H]1CC(n1cc(Cl)cn1)C2 1775975673 MCROMXRCJSYUNU-KBPBESRZSA-N 430.755 3.856 0 40 IHAB Cn1cc(-c2cncc(N3CCN(c4ccnc5cc(C(F)(F)F)ccc45)CC3)n2)cn1 2298243934 LUKNZWUHRUQMJP-UHFFFAOYSA-N 439.445 3.771 0 40 IHAB COc1ccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1Br 665570 NCKRMFQGYOQMMJ-UHFFFAOYSA-N 445.766 3.622 0 40 IHAB CCOC(=O)c1sc(NC(=O)[C@H](OC(C)=O)c2ccccc2)c(C(=O)OCC)c1C 707039 UITQAVDMHQUBKE-MRXNPFEDSA-N 433.482 3.653 0 40 IHAB O=C(NCc1ccco1)c1cc2cc(Br)cc(Br)c2oc1=O 713691 UEWXMTVWJFOSSG-UHFFFAOYSA-N 427.048 3.841 0 40 IHAB N=c1sc(C(=O)c2cccs2)nn1-c1[nH]nc(-c2ccccc2)c1Br 3849184 YGIWNFHTAWMRMG-UHFFFAOYSA-N 432.328 3.858 0 40 IHAB COc1cccc([C@H]2CC(c3ccc(Br)cc3)=NN2S(C)(=O)=O)c1OC 4165326 KLKTXGWGSOUQSZ-MRXNPFEDSA-N 439.331 3.577 0 40 IHAB O=C(/C=C/c1cc(Cl)c2c(c1)OCCCO2)N1CCN(C(=O)c2cccs2)CC1 8855754 CZAKTCZELPYLNE-SNAWJCMRSA-N 432.929 3.561 0 40 IHAB COc1ccc(NC2=N[C@@H](c3cccc(Br)c3)n3c(nc(C)cc3=O)N2)cc1 9253961 IYTXOBHLOHMXMO-GOSISDBHSA-N 440.301 3.763 0 40 IHAB CCn1c(CC(=O)Nc2ccccc2C)nnc1SCC(=O)Nc1nc(C)c(C)s1 9302449 DWUHPYPZIJWLML-UHFFFAOYSA-N 444.586 3.592 0 40 IHAB COc1ccc(-c2nc(CC(=O)N3CCC(n4c(=O)[nH]c5ccccc54)CC3)cs2)cc1 9314941 ACOYBAIHWLAUMI-UHFFFAOYSA-N 448.548 3.868 0 40 IHAB CC[C@@H](Sc1nc2nccnc2c(=O)n1Cc1ccccc1)C(=O)Nc1ccccc1F 9405120 YOVXQEQKPMJVJM-GOSISDBHSA-N 449.511 3.883 0 40 IHAB Cc1c(C)c(C)c(C(=O)OCC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)c(C)c1C 9458203 FQCMMKFAQJPWDO-NRFANRHFSA-N 443.565 3.606 0 40 IHAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCc3sccc3[C@H]2c2ccccc2)cc1 9478002 KQPAHPWCYMCQGF-OAQYLSRUSA-N 426.563 3.786 0 40 IHAB Cc1cccc(N2CCN(C(=O)CSc3nnc(NCc4ccco4)s3)CC2)c1C 9617108 QQKSAMKTDWYYDM-UHFFFAOYSA-N 443.598 3.801 0 40 IHAB Cc1cccc(N2CCN(C(=O)COc3ccccc3C(=O)Nc3ccccc3)CC2)c1 9655193 SXYSRQLEGVEGLI-UHFFFAOYSA-N 429.520 3.975 0 40 IHAB Cc1cccc(-n2ncc3c(O)nc(SCC(=O)N4c5ccccc5C[C@@H]4C)nc32)c1 9672088 WHCMKGGRXKQLFF-HNNXBMFYSA-N 431.521 3.899 0 40 IHAB O=c1cc(CSc2nnc(N3CCCC3)n2-c2ccccc2Cl)nc2sccn12 9725830 LJMVAEYWHNSCKM-UHFFFAOYSA-N 444.973 3.883 0 40 IHAB Cc1ccc(NC(=O)Nc2nnc(SCC(=O)Nc3ccc4c(c3)OCO4)s2)cc1 9743463 BPBGHDZDGFTHJP-UHFFFAOYSA-N 443.510 3.950 0 40 IHAB Cn1c(=O)n(Cc2c(Cl)cccc2Cl)c(=O)c2c1nc1oc(-c3ccccc3)cn12 9789629 PNJDNTQCJWWVDE-UHFFFAOYSA-N 441.274 3.963 0 40 IHAB Cn1cc(C(=O)Nc2ccc(F)c(Cl)c2)c2[nH]c(=O)n(-c3ccc(Cl)cc3)c(=O)c21 9819987 ADHYDLBURWKLKM-UHFFFAOYSA-N 447.253 3.716 0 40 IHAB COC(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)cc1 9955451 DZCVZRYPCYHBDA-UHFFFAOYSA-N 438.505 3.546 0 40 IHAB CC1CCN(C(=O)c2cc(I)ccc2NC(=O)c2cccnc2)CC1 10037869 KRFRBCORUSJVIH-UHFFFAOYSA-N 449.292 3.811 0 40 IHAB CCOc1cccc2c1OC1(CCN(C(C)=O)CC1)N1N=C(c3ccc(OC)cc3)C[C@H]21 10214336 AFVAMLXKVBSWEX-JOCHJYFZSA-N 435.524 3.976 0 40 IHAB COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)n2N)cc1 10921534 YNZBWVOKWUIXBN-UHFFFAOYSA-N 438.340 3.629 0 40 IHAB CCCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCN(C(=O)OCC)CC1 11566011 ROXJZYGSRJFOSR-UHFFFAOYSA-N 426.579 3.760 0 40 IHAB COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(F)c(F)c3)n2)cc1OC 11693351 CPLBNFNGSDXMJR-UHFFFAOYSA-N 429.423 3.625 0 40 IHAB COc1ccc2c(c1)N[C@]1(CCCN(C(=O)Cn3cnc4ccccc43)C1)c1cccn1-2 12117310 NZHMYQUDMJVWKE-VWLOTQADSA-N 427.508 3.779 0 40 IHAB O=C(Nc1ccccc1Cl)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 12544806 NOZTXHNKBGBMNJ-UHFFFAOYSA-N 442.884 3.563 0 40 IHAB CCn1c(/C(Cl)=C/c2cccc(F)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 12558660 WBEPCIOHCKQMRY-AQTBWJFISA-N 449.935 3.953 0 40 IHAB C[C@H](OC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)C(=O)N1CCc2ccccc21 12732606 PANXEFGMVVKCTJ-HNNXBMFYSA-N 447.457 3.838 0 40 IHAB CCOc1cc(CN(C(=O)CNC(=O)c2ccc(C)cc2)C2CC2)ccc1OC(F)F 12780892 AJPIIJMCCGSFBD-UHFFFAOYSA-N 432.467 3.916 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)COc2c(C)cc(C)cc2C)c1 12787177 XTLXZDYRKYUVCT-UHFFFAOYSA-N 434.558 3.668 0 40 IHAB Cc1ccc2[nH]cc(CCN3C[C@H](C(=O)Nc4nnc(C(C)(C)C)s4)CC3=O)c2c1 12863032 LNJVUGMWKYBBEN-OAHLLOKOSA-N 425.558 3.655 0 40 IHAB COc1ccc(NC(C)=O)cc1S(=O)(=O)N1CCC[C@H]1c1nc2ccccc2s1 12877496 ZFOVXFNSELQDIG-INIZCTEOSA-N 431.539 3.789 0 40 IHAB O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1ncc(Cc2ccc(F)c(F)c2)s1 12913829 NSBOINOQPZJFJR-UHFFFAOYSA-N 426.448 3.820 0 40 IHAB Cc1cccc(C)c1OCCn1c(=O)c2c(ncn2CC(C)C)n(Cc2ccccc2)c1=O 13147684 VLTVWZDEEUEISB-UHFFFAOYSA-N 446.551 3.760 0 40 IHAB Cc1nc(SCC(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)c2ccccc2n1 13150581 RZPMTWKBZOODHI-LLVKDONJSA-N 426.567 3.954 0 40 IHAB Cc1ccc2[nH]c(=O)c(CN(CCO)[C@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 13500523 NVTKWFVMWKBGGU-QFIPXVFZSA-N 438.576 3.520 0 40 IHAB CC(=O)N[C@@]1(CC(=O)Nc2ccc(Br)cc2)C(=O)N(C(C)C)c2ccccc21 13629678 OTRMLQYQGLEEBR-OAQYLSRUSA-N 444.329 3.564 0 40 IHAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 14076466 NYSWDRKCQWQWOU-HXUWFJFHSA-N 425.916 3.800 0 40 IHAB CCOc1ccc(OCCC(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)cc1 14196847 OIQPRPPDEUJYKH-UHFFFAOYSA-N 427.526 3.939 0 40 IHAB Cc1sc2nc(CS[C@@H](C)C(=O)Nc3ccc4c(c3)OCCO4)[nH]c(=O)c2c1C 15318397 QRUIYHWXKWYDSQ-LBPRGKRZSA-N 431.539 3.633 0 40 IHAB Cc1ccsc1CN(C(=O)COc1ccc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 16742499 XINMQEIHTTXSMM-CQSZACIVSA-N 448.393 3.958 0 40 IHAB CCn1c(C)cc(C(=O)COC(=O)c2nn(-c3ccccc3Cl)c(C)cc2=O)c1C 17265352 PQHZCUJEXQAISG-UHFFFAOYSA-N 427.888 3.672 0 40 IHAB COc1ccc(-c2cc3nc([C@@H](C)NC(=O)c4ccc5c(c4)C[C@@H](C)O5)nn3cn2)cc1 19498008 HZKCZKWHIYHNAA-HUUCEWRRSA-N 429.480 3.614 0 40 IHAB C[C@H]1Cc2ccccc2N1C(=O)CN1C(=O)COc2ccc(C(=O)c3cccs3)cc21 19498264 LDOXAHAXIZOCER-HNNXBMFYSA-N 432.501 3.682 0 40 IHAB Cc1noc(C)c1CCC(=O)N[C@@H](Cn1nc(-c2ccc(F)c(F)c2)ccc1=O)C(C)C 19580849 GNTDMSNUWJEVDM-NRFANRHFSA-N 444.482 3.567 0 40 IHAB CCOC(=O)[C@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@H]1c1ccccn1 19820805 NNWYFHBVERQCRH-PKTZIBPZSA-N 440.503 3.789 0 40 IHAB Cc1ccc(NC(=O)C[C@H]2C(=O)N(Cc3ccccn3)c3nc4ccccc4n32)c(F)c1 20103586 IHOHGZPJZCRVBS-NRFANRHFSA-N 429.455 3.996 0 40 IHAB COc1cc(OC)c(NC(=O)COc2cc(C)nc(N3CCC(C)CC3)n2)cc1Cl 21360737 PXSMEMHGDNFNOB-UHFFFAOYSA-N 434.924 3.709 0 40 IHAB O=C(CN1CCN(c2ccc(O)cc2)CC1)Nc1cc(C2CCCC2)nn1-c1ccccc1 22057607 TWBPPZGUTRAKRO-UHFFFAOYSA-N 445.567 3.996 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1 22536153 AUIYJWNBBVVWNL-LJQANCHMSA-N 432.586 3.899 0 40 IHAB COC(=O)Cn1c(SCc2nc3ccccc3n2C(F)F)nc2ccccc2c1=O 23055288 UVKDZNQHYLOQIN-UHFFFAOYSA-N 430.436 3.607 0 40 IHAB CCc1oc2ccccc2c1CN(C)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCO3)C1=O 23908520 WPWTVIVORCSFFQ-DEOSSOPVSA-N 435.480 3.580 0 40 IHAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)Nc3cccc(OC(C)C)c3)CC2)c1 24612206 IZXCJRUSLIAMLQ-UHFFFAOYSA-N 430.570 3.963 0 40 IHAB O=C(NCc1cccnc1-n1cccn1)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 24792934 SVUAUHZHZXBJOA-UHFFFAOYSA-N 445.483 3.646 0 40 IHAB COc1ccc(CNC(=O)[C@H](C)Nc2ccc(N3CCCC3=O)c(Cl)c2)cc1OC 25065313 QFHBHXXTXASZOA-AWEZNQCLSA-N 431.920 3.601 0 40 IHAB CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CCCN(C(=O)c2ccco2)C1 25316506 JFSUBGXMGSIBRA-CYBMUJFWSA-N 438.311 3.536 0 40 IHAB Cc1oc(-c2cccs2)nc1CC(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 25641824 SFAWFRQNEVCEJF-IBGZPJMESA-N 429.517 3.583 0 40 IHAB COc1cccc(-n2cnc3cc(C(=O)Nc4ccc(OC)cc4OC)ccc3c2=O)c1 32070398 AQPAFZKPNAOVGL-UHFFFAOYSA-N 431.448 3.664 0 40 IHAB O=C(COc1ccccc1)N1N=C(c2cccc(Br)c2)C[C@@]1(O)C(F)(F)F 32101440 SVQPWGKKQLBJHZ-QGZVFWFLSA-N 443.219 3.715 0 40 IHAB COc1ccc(Br)c(C(=O)N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1 32158041 WWYAOVAASXCISG-LBPRGKRZSA-N 426.332 3.694 0 40 IHAB Cc1ccnc(-n2c(SCc3cc(=O)n4cccc(C)c4n3)nc3ccccc3c2=O)c1 32671980 PJLQHXWIQGTMGT-UHFFFAOYSA-N 441.516 3.698 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(F)c(C(N)=O)c3)cc2)cc1C 33063367 WZVUTGILYQVQHD-UHFFFAOYSA-N 441.484 3.595 0 40 IHAB Cc1ccc(OCC(=O)Nc2ccccc2OCc2cc(=O)n3cc(C)ccc3n2)cc1 33068121 WMNOZWCNEQOLEQ-UHFFFAOYSA-N 429.476 3.908 0 40 IHAB Cc1ccc(Cl)cc1N1CCN(C(=O)Cn2c(-c3cnccn3)nc3ccccc32)CC1 36708678 XTZXMNUKCPGWTG-UHFFFAOYSA-N 446.942 3.804 0 40 IHAB CN(Cc1ccc(Cl)s1)C(=O)CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 40037406 BAHAJHIITIQMGG-UHFFFAOYSA-N 448.972 3.726 0 40 IHAB O=C(O)[C@H](Cc1ccccc1)NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1F 40283328 KKXGEQBJMLSPLA-AZUAARDMSA-N 442.878 3.555 0 40 IHAB Cc1cc(C)cc(N(CC(=O)Nc2ccc(Br)c(C)c2)S(C)(=O)=O)c1 44791244 XHGIWCIQJIDTBW-UHFFFAOYSA-N 425.348 3.779 0 40 IHAB COc1cc2c(cc1OC)CN(C(=O)c1cc(=O)c(OCc3ccccc3F)co1)CC2 44890361 PHKDVEYVDDNCFJ-UHFFFAOYSA-N 439.439 3.574 0 40 IHAB COc1ccc(S[C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC 44900244 TULRHQZCIMKBEB-HNNXBMFYSA-N 427.526 3.621 0 40 IHAB COc1ccc(NC(=O)Cn2cccc(-c3nc(-c4ccccc4C)no3)c2=O)c(OC)c1 49002560 SCXFBNOIVCZWLI-UHFFFAOYSA-N 446.463 3.530 0 40 IHAB O=C(NCC1(N2CCOCC2)CCCCC1)c1cc2ccccc2cc1NC(=O)C1CC1 49574057 ZZYBZCMJVFSXGB-UHFFFAOYSA-N 435.568 3.953 0 40 IHAB COC(=O)c1ccc(Cl)cc1NC(=O)Cn1nc(-c2ccc(C)c(C)c2)ccc1=O 57427562 HPDRHNCKUXFHKE-UHFFFAOYSA-N 425.872 3.606 0 40 IHAB Cc1cc(F)ccc1-n1c(SCC(=O)NCc2ccco2)nc2ccsc2c1=O 57488728 ZHVYJCIHYOKATG-UHFFFAOYSA-N 429.498 3.896 0 40 IHAB O=C1CCCN1C[C@@H](NCc1cnc(N2CCCC2)nc1)c1cccc(C(F)(F)F)c1 58008494 PVODOSWGSXVZAQ-LJQANCHMSA-N 433.478 3.549 0 40 IHAB Cc1nn(C)c(C)c1NC(=O)[C@H](C)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 58173777 IAIXLBKGBXHOOB-FQEVSTJZSA-N 446.599 3.798 0 40 IHAB CCOC(=O)Nc1ccc(NC(=O)NC[C@@H](O)COc2cccc(C(F)(F)F)c2)cc1 58294849 RUKPEOWCHAKMFY-MRXNPFEDSA-N 441.406 3.835 0 40 IHAB Cc1nn(-c2ccccc2)c(Cl)c1CS(=O)(=O)[C@@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C 59744968 RVHGGEZLSNNUJZ-URLQWDBASA-N 437.993 3.832 0 40 IHAB COc1ccc([C@@H]2Nc3ccccc3C(=O)N2CC(=O)Nc2ccc(NC(C)=O)cc2)cc1 61719135 KFCHBMQBDVDPKW-XMMPIXPASA-N 444.491 3.859 0 40 IHAB C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@]4(O)[C@@H](C[C@H]5[C@@H]4C[C@@H](O)[C@H]4C[C@@H](O)CC[C@]54C)[C@H]3CN2C1 70707828 NQGYOUYEGZOZBN-KMMCOJNISA-N 431.661 3.678 0 40 IHAB CCCCCSc1nc2ccc(NC(=O)Cn3cnc4c(cnn4C)c3=O)cc2s1 72295399 RHKLFGCMZDDTCX-UHFFFAOYSA-N 442.570 3.661 0 40 IHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N1CCC[C@@H](c2cc(C(F)F)n3ncnc3n2)C1 72395346 DRWNMDAJUDDHAY-AUUYWEPGSA-N 445.470 3.634 0 40 IHAB O=C(N=c1[nH]c2ccccc2[nH]1)[C@H]1c2ccccc2C(=O)N(C[C@H]2CCCO2)C12CCCC2 72401975 XZEKDILIYOACTD-VGOFRKELSA-N 444.535 3.655 0 40 IHAB C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 78938685 GHCZAUBVMUEKKP-RRTXSTOOSA-N 449.632 3.594 0 40 IHAB CC(C)[C@H](NC(=O)CS(=O)(=O)c1ccccc1Cl)c1ccc2c(c1)OCCCO2 79111574 OXZGJRIJGROQDN-NRFANRHFSA-N 437.945 3.789 0 40 IHAB Cc1cc(NC(=O)N[C@@H](C)Cn2cncn2)n(-c2cc(C(F)(F)F)ccc2Cl)n1 89594273 IGLFXQCGKZJYET-NSHDSACASA-N 427.818 3.655 0 40 IHAB COc1ccc(S(=O)(=O)C2CN(C(=O)c3ccc(-c4cccc(OC)c4)cc3)C2)cc1 96377901 BGHPTKDQWANCES-UHFFFAOYSA-N 437.517 3.669 0 40 IHAB O=C(c1ccco1)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 97478427 ZLODGQSEXIHXBD-CBPXPLCBSA-N 428.419 3.817 0 40 IHAB Cc1ccc(C)c(NC(=O)CSc2nnc(Cc3ccc4c(c3)OCCCO4)n2C)c1 101160839 GZWMLEGJIBVNQV-UHFFFAOYSA-N 438.553 3.915 0 40 IHAB Cc1ccc(C)c(C(=O)COC(=O)c2ccccc2N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 101233551 PHEFYHKLCLQMRK-BSWISCRUSA-N 431.488 3.879 0 40 IHAB O=C1C[C@@H](N2CCc3c([nH]c4ccccc34)C2)C(=O)N1c1cccc(OC(F)(F)F)c1 101638749 GYUKWEDKQGCWLF-LJQANCHMSA-N 429.398 3.757 0 40 IHAB Cc1ccc(NC(=O)CSc2nnc([C@@H](C)NC(=O)c3ccccc3F)n2C)cc1C 108236424 NIPHUDLYLTVLKN-OAHLLOKOSA-N 441.532 3.793 0 40 IHAB COc1ccc(NC(=O)CCCN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 113960982 IUNKJVOGHCJGKG-UHFFFAOYSA-N 430.448 3.899 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(OC3CCCC3)cc2)cc1N1CCCC1=O 219227938 RDGCSDOVYMPRHY-UHFFFAOYSA-N 430.526 3.944 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCS[C@@H](c3ccc4c(c3)OCO4)CC2)cc1F 219260032 JLZXQFIDWOIRDB-HXUWFJFHSA-N 439.530 3.822 0 40 IHAB COc1cccc(N([C@@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)S(C)(=O)=O)c1 220185051 QDSXESKGUTWYPJ-OXJNMPFZSA-N 446.569 3.577 0 40 IHAB Cc1cc(C)c(S(=O)(=O)N2CCc3nc(NC(=O)C4CC4)sc3C2)cc1Cl 223811199 XXBNKOBKTBYKIB-UHFFFAOYSA-N 425.963 3.509 0 40 IHAB CCC1(CC)C[C@H](NC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)c2ccccc2O1 224330095 DUWQLEZORXJULQ-FQEVSTJZSA-N 445.585 3.742 0 40 IHAB CC1(C)C[C@H](NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c2ccccc2O1 225511299 MBCXSVGLVCUDJJ-XLIONFOSSA-N 428.554 3.506 0 40 IHAB CCOC[C@]1(N)[C@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242701742 WNTNTYSCGPMVDM-KURKYZTESA-N 444.778 3.776 0 40 IHAB Cc1ccc(=O)n(CC(=O)N2CCCC[C@@H]2c2ncc(Cc3ccc(Cl)cc3)o2)n1 257293606 QQIXIFAQTNVSSF-LJQANCHMSA-N 426.904 3.538 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)c3ccc(Cl)cc3)C2)cc1 260613120 CTCMFFKFAQANFP-RDJZCZTQSA-N 436.961 3.627 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2)C2CCCCC2)cc1 408625096 VKNNLYDKOQZVIG-UHFFFAOYSA-N 430.570 3.725 0 40 IHAB Cc1cc(N2C(=O)[C@@H]3[C@H](C2=O)C2c4ccccc4C3(Br)c3ccccc32)no1 409206834 QJVWBPBESYRRIA-KLOMGHIOSA-N 435.277 3.886 0 40 IHAB Cc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)c3ccccc3C)n2)cc1 1372797 BCUDJYCQJGVQSS-UHFFFAOYSA-N 426.480 3.848 0 40 IHAB CC(C)C[C@H](C(=O)OCC(=O)Nc1cccc(Cl)c1)N1C(=O)c2ccccc2C1=O 1917001 HQGLKKCYCDJLHK-GOSISDBHSA-N 428.872 3.533 0 40 IHAB COc1ccc(-c2cc(=O)oc3cc(OC(=O)CNC(=O)OC(C)(C)C)ccc23)cc1 2095847 ZUOWPDMTAMQQEE-UHFFFAOYSA-N 425.437 3.899 0 40 IHAB biogenic COCCn1c(SCC(=O)Nc2ccccc2OC)nc2c(oc3ccccc32)c1=O 2713527 PCLXRJGGGKXTNS-UHFFFAOYSA-N 439.493 3.529 0 40 IHAB CC(C)C(=O)NC(Nc1sc2c(c1C(N)=O)CCCC2)(C(F)(F)F)C(F)(F)F 3671329 VJFBNDYVFUZBEZ-UHFFFAOYSA-N 431.402 3.731 0 40 IHAB O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O)OCC(=O)c1ccc(-c2ccccc2)cc1 4207993 VVXDFAVNPAJNEX-KZTDQWPFSA-N 431.488 3.501 0 40 IHAB CCc1cccc(C)c1NC(=S)NCCc1cc2c(OC)ccc(OC)c2[nH]c1=O 4225458 NJCRZYTZYPTYEX-UHFFFAOYSA-N 425.554 3.945 0 40 IHAB CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2ccccc2Br)NC(=O)N1 6237729 BWBHNMTVTPBLTJ-SFHVURJKSA-N 431.286 3.699 0 40 IHAB CCCCn1c(SCC(=O)Nc2cccc(C)c2)nc2cc(S(N)(=O)=O)ccc21 6338605 DGBMXVOKBVSNEA-UHFFFAOYSA-N 432.571 3.523 0 40 IHAB COc1cccc(NC(=O)Cn2c3c(sc2=O)[C@@H]2c4ccccc4OC[C@H]2CS3)c1 8752049 LNLQCSGDEHJTLP-DJJJIMSYSA-N 440.546 3.803 0 40 IHAB CCc1ccc([C@@H]2CN3C(=O)CN(CCCOC)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 8789138 ITVWUTZRWUGTPU-IDISGSTGSA-N 445.563 3.798 0 40 IHAB biogenic C[C@@H](NC(=O)CSc1ncnc2c1cnn2-c1ccccc1)c1ccc2c(c1)OCO2 8895726 HUKPLFNYHBQETJ-CQSZACIVSA-N 433.493 3.514 0 40 IHAB CN(C)S(=O)(=O)c1cccc(NC(=O)CNc2ccccc2Oc2ccccc2)c1 8897247 UFEQGKDRLIGOQQ-UHFFFAOYSA-N 425.510 3.780 0 40 IHAB Cc1ccc(Cn2cnc3c(cnn3CCNC(=O)c3ccc(C(C)(C)C)cc3)c2=O)cc1 9016252 PTWRUAVSDHYNOR-UHFFFAOYSA-N 443.551 3.677 0 40 IHAB CCn1cc(S(=O)(=O)c2ccc(OC)cc2)c(=O)c2cc(F)c(N3CCCCC3)cc21 9119281 PYKJBDNPWBAUAR-UHFFFAOYSA-N 444.528 3.992 0 40 IHAB CN(C)CCCN(C(=O)CCS(=O)(=O)c1ccccc1)c1nc2c(F)cccc2s1 9151919 BMIHWQYCYGMRGA-UHFFFAOYSA-N 449.573 3.584 0 40 IHAB Cc1ccc(NC(=O)Cn2ccn3nc(-c4ccccc4)cc3c2=O)c(Br)c1 9321003 IESIFBOADWDRKW-UHFFFAOYSA-N 437.297 3.873 0 40 IHAB COc1ccccc1-c1nnc(SCC(=O)N2C[C@H](C)O[C@@H](C)C2)n1-c1ccccc1 9377724 IGNYINFSYXSBFR-IRXDYDNUSA-N 438.553 3.671 0 40 IHAB Cc1ccccc1-n1nc2c(c1NC(=O)c1ccccc1Br)C[S@@](=O)C2 9413509 OOHMFLUQGHZBBE-SANMLTNESA-N 430.327 3.958 0 40 IHAB COc1ccc(CCc2nnc(NC(=O)[C@H]3CC(=O)N(c4ccccc4C)C3)s2)cc1 9426541 JJJITMUETWSBPN-KRWDZBQOSA-N 436.537 3.632 0 40 IHAB CCCN1C(=O)[C@]2(c3ccccc31)c1c(oc3ccc(C)cc3c1=O)C(=O)N2CCCOC 9431972 OKHSGOGCDWPTGG-SANMLTNESA-N 446.503 3.594 0 40 IHAB O=C(CSc1nnc(-c2ccccc2Br)o1)Nc1ccc2c(c1)OCO2 9464573 TXYKTWWPYJZZQD-UHFFFAOYSA-N 434.271 3.959 0 40 IHAB CSc1cccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 9668694 CGNGBOVICHQZHQ-UHFFFAOYSA-N 434.583 3.991 0 40 IHAB COc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccccn2)n1-n1cccc1 9707825 RSYIQMLLAUEXMX-UHFFFAOYSA-N 440.916 3.846 0 40 IHAB CCCCOC(=O)c1ccc(NS(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)cc1 9708654 QNDJQYLJVPJGKG-UHFFFAOYSA-N 442.537 3.670 0 40 IHAB CC(=O)c1ccc(NC(=O)COc2coc(CN3CCCc4ccccc43)cc2=O)cc1 9716518 BUAAFAFVQODPMF-UHFFFAOYSA-N 432.476 3.813 0 40 IHAB COc1ccc(NC(=O)CSc2nccn(-c3ccc(Br)cc3)c2=O)cc1 9761498 MXETUSRWRIUWSS-UHFFFAOYSA-N 446.326 3.734 0 40 IHAB COc1ccc(C(=O)N[C@@H]2CCSc3ccccc32)cc1S(=O)(=O)NC1CCCC1 9956433 CKWAULKYSQZKPU-GOSISDBHSA-N 446.594 3.883 0 40 IHAB O=C(Cn1ncn2nc(-c3ccc(Cl)cc3)cc2c1=O)Nc1ccccc1C(F)(F)F 11666399 POZIXACZRLSXHG-UHFFFAOYSA-N 447.804 3.869 0 40 IHAB Cc1ccc(C2=NN(C(=O)CSc3ncnc4c3cnn4C)[C@H](c3ccco3)C2)cc1 11681718 GKGRMFOOJAKXEP-SFHVURJKSA-N 432.509 3.735 0 40 IHAB CCc1ccccc1NC(=O)c1cc(-c2ccc(OC)cc2)n([C@@H]2CCS(=O)(=O)C2)n1 11996932 LSIMQHRQZDAIAH-GOSISDBHSA-N 439.537 3.733 0 40 IHAB COc1ccc(OC)c(NC(=S)NC(=O)CCCC(=O)OCCCc2ccccc2)c1 12137352 MMTLMNVOHJTBAA-UHFFFAOYSA-N 444.553 3.863 0 40 IHAB O=S(=O)(Nc1ccc(-n2cnnn2)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 12508131 FJELAJQJZTVBIC-UHFFFAOYSA-N 437.325 3.501 0 40 IHAB CC(C)c1nnc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)n1Cc1ccco1 12641853 DGZCLRSBJMTAQV-UHFFFAOYSA-N 441.557 3.610 0 40 IHAB COc1ccc2cc([C@@]3(C)NC(=O)N(C[C@@H](O)COc4c(C)cccc4C)C3=O)ccc2c1 12748345 DLYTZJZWQHZBAE-QFQXNSOFSA-N 448.519 3.672 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCN(C(C)C)C(C)C)c2)cc1F 12777801 LATHKGOXQGQGSK-UHFFFAOYSA-N 435.565 3.784 0 40 IHAB C[C@H](Sc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)c1nc2ccccc2c(=O)[nH]1 12796249 URHZRHGXXYUEQJ-LSDHHAIUSA-N 434.521 3.665 0 40 IHAB COC(=O)c1sccc1NC(=O)c1nn(-c2ccccc2C(F)(F)F)c(C)cc1=O 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CC(C)NC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)c2ccncc2)C1 19449479 CTEWJRXLKPOGNI-SANMLTNESA-N 428.536 3.743 0 40 IHAB CC(C)c1nc(N2CCC(NC(=O)c3cc(C4CC4)on3)CC2)ncc1-c1ccncc1 19451645 WAMLPSKRMASBDJ-UHFFFAOYSA-N 432.528 3.926 0 40 IHAB COc1cccc(CN2CCN(C)C(=O)[C@H](Cc3ccc(-c4cccnc4)cc3)C2)c1OC 19589458 KLTRNNFBJJEBSJ-XMMPIXPASA-N 445.563 3.899 0 40 IHAB COc1ccccc1-c1ccccc1C[C@@H]1CN(C(=O)c2ccncc2)CCN(C)C1=O 19589627 JLKWOWDQHDZKAD-OAQYLSRUSA-N 429.520 3.530 0 40 IHAB COCCc1ncc(CN2CCC[C@H]2c2nc(N(C)C)ncc2-c2cccc(F)c2)cn1 19689770 YFSDCCMFRAIZOB-NRFANRHFSA-N 436.535 3.665 0 40 IHAB CCn1cc(CN(C)C(=O)c2sc3ccccc3c2[C@@H]2CN(C(C)=O)CCO2)c(C)n1 19696707 FONSHRXSOFVQJM-IBGZPJMESA-N 440.569 3.618 0 40 IHAB CNc1cc(CN(C)C(C)=O)nc([C@H]2CCCCN2C(=O)CCc2ccc(Cl)cc2)n1 19709828 MMZVOTROWGSQMZ-HXUWFJFHSA-N 443.979 3.836 0 40 IHAB Cc1ccc([C@H](NC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)c2ccccc2)cc1 20456340 KFIYGAVQTJXANG-HSZRJFAPSA-N 437.565 3.757 0 40 IHAB CS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2C(=O)N2CCCCCC2)c1 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CC[C@]1(C)c2sc(=O)[nH]c2S[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]21 32594639 ZAKUGGPVOJYUBM-DINDLPBHSA-N 428.457 3.787 0 40 IHAB CCc1cc2oc(=O)cc(COC(=O)c3ccccc3NS(C)(=O)=O)c2cc1Cl 32738656 AHUYWRIINXAJSY-UHFFFAOYSA-N 435.885 3.737 0 40 IHAB Cc1nc(COc2ccc(C(=O)Nc3nc(CN4CCC(C)CC4)cs3)cc2)no1 32879848 KUFOJOSRRCLKHC-UHFFFAOYSA-N 427.530 3.898 0 40 IHAB CCCn1ncc2c(C(=O)Nc3c(Cl)cnn3Cc3cnn(C)c3)cc(C3CC3)nc21 36615880 MZCLLNBCPVUHGC-UHFFFAOYSA-N 438.923 3.603 0 40 IHAB O=C(CSc1nccn1-c1ccc(C(=O)NCc2ccco2)cc1)NCc1ccccc1 38654173 NRGFVSXRGGEVEA-UHFFFAOYSA-N 446.532 3.804 0 40 IHAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 38772302 DSHVAPNHCFGNRH-SFHVURJKSA-N 447.538 3.749 0 40 IHAB COc1ccccc1N1CCN(CC(=O)Nc2ccccc2C(=O)Nc2ccccc2)CC1 57363878 OFGFSTSECCTYIZ-UHFFFAOYSA-N 444.535 3.708 0 40 IHAB CCOc1ccc(-c2nc(CN3C(=O)c4ccccc4CS3(=O)=O)cs2)cc1OC 58357921 XAPQPROTQFFEJC-UHFFFAOYSA-N 444.534 3.703 0 40 IHAB COc1ccc([C@H](C)NC(=O)CCc2nc(-c3cc4cc(C)ccc4[nH]c3=O)no2)cc1 64789991 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IHAB CCc1ccccc1N(CCCC(=O)NCCOc1ccccc1Cl)S(C)(=O)=O 224660370 FSUMQTRLIBBWFP-UHFFFAOYSA-N 438.977 3.644 0 40 IHAB CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccc(Cl)cc1 225441813 PDOPEPFUTWXCAH-ZDUSSCGKSA-N 439.737 3.645 0 40 IHAB CCOC(=O)c1cccc(NC(=S)NCc2ccccc2CN2CCCC2=O)c1C 225652531 GVALFCQQENLSNQ-UHFFFAOYSA-N 425.554 3.781 0 40 IHAB CC1(C(=O)N2CCOC[C@@H](Cc3ccc4ccoc4c3)C2)CCN(c2ncccn2)CC1 257230327 GBTQJVGRCNFCRA-FQEVSTJZSA-N 434.540 3.547 0 40 IHAB COc1ccccc1[C@@H]1CN(C(=O)c2cccc(OC)c2OCc2ccccn2)CCN1C 257287443 PQAGPOPRKUAJSU-QFIPXVFZSA-N 447.535 3.807 0 40 IHAB CCCNC(=O)CCc1c(C)nc2cc([C@H]3CCCN3C(=O)[C@H]3CC=CCC3)nn2c1C 257304284 SKWMFVZGAXZZJR-SIKLNZKXSA-N 437.588 3.825 0 40 IHAB CC(C)c1nc2c(s1)CN(Cc1cccc(F)c1)CC21CCN(S(C)(=O)=O)CC1 306125848 DDQLCLPNRNXXKO-UHFFFAOYSA-N 437.606 3.715 0 40 IHAB C[C@@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 408598289 YUFPKCVDTGHJCL-RDPSFJRHSA-N 436.577 3.714 0 40 IHAB COc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2cc(C)ccc2C)c(OC)c1 408663122 GJOJUXQZINBRJH-UHFFFAOYSA-N 428.485 3.611 0 40 IHAB O=C(O)Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Br)cc3)o2)cc1 408691750 OSWFBFDVNNLEPL-UHFFFAOYSA-N 448.298 3.857 0 40 IHAB Cc1ccc(N(CC(=O)NCCSCc2ccccc2C)S(C)(=O)=O)cc1Cl 409026879 CWHAOPCYPAHOJS-UHFFFAOYSA-N 441.018 3.772 0 40 IHAB C[C@@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2ccc(Cl)cc2)n1C 409148431 ZCADYSUFVVAUFQ-CYBMUJFWSA-N 429.933 3.690 0 40 IHAB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cccc(Br)c2)C1=O 409239044 FQOPODNHXUYOEA-GZTJUZNOSA-N 428.286 3.543 0 40 IHAB CCOc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2Cl)cc1 409388074 BXMUXFJWLRYJRB-UHFFFAOYSA-N 438.933 3.541 0 40 IHAB O=C1c2ccccc2N2C(=O)CC[C@@]2(C(=O)NCc2ccsc2)N1Cc1ccccc1 544687414 ZCAVQBQUVJRPBL-XMMPIXPASA-N 431.517 3.544 0 40 IHAB CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCC(C)(OCC)CC3)c2)cc1 581445178 PZARMRYIHHJCEF-UHFFFAOYSA-N 446.569 3.917 0 40 IHAB C[C@@H]1Oc2ccc(C(=O)C3CCN(C(=O)Cc4c[nH]c5ccc(F)cc45)CC3)cc2NC1=O 604323892 FRTSZQNDTHWNHZ-AWEZNQCLSA-N 449.482 3.690 0 40 IHAB CC(C)C(=O)N1CCCCCCCNCc2cc(C(=O)N3CCCN(C)CC3)ccc21 643583431 COYWSPXRNUEKKY-UHFFFAOYSA-N 428.621 3.507 0 40 IHAB COc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)Nc3ccc(C)cc3C)cc2c1 885103 TYDSBLTYHPPFJW-UHFFFAOYSA-N 438.597 3.914 0 40 IHAB O=C1N[C@H](c2ccc(Br)cc2)[C@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1 968813 CELBTHLFXVNITK-JMSVASOKSA-N 449.248 3.615 0 40 IHAB COCCCNC(=S)N(Cc1cccs1)Cc1cc2cc(OC)ccc2[nH]c1=O 6238965 BJMSXUDAPLGZBO-UHFFFAOYSA-N 431.583 3.511 0 40 IHAB O=C(Cn1cnc2sccc2c1=O)Nc1ccc(Br)c(C(F)(F)F)c1 8988267 JKUXGWOEBODEQU-UHFFFAOYSA-N 432.221 3.878 0 40 IHAB CCc1cc2oc(=O)cc(COC(=O)c3cccc(NS(C)(=O)=O)c3)c2cc1Cl 9120140 DYMNTLXZSYPWMA-UHFFFAOYSA-N 435.885 3.737 0 40 IHAB CCc1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@@H](C(=O)Nc1cccc(OC)c1)S2 9198073 PKDJUGJAEZEFDX-ROUUACIJSA-N 429.933 3.900 0 40 IHAB Cc1cccc(-n2c(SCc3nnc(-c4ccccc4)o3)nnc2N2CCOCC2)c1 9339389 MDTAQCRLSLECKE-UHFFFAOYSA-N 434.525 3.755 0 40 IHAB O=C(Nc1ccccc1N1CCCC1=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 9415353 APODKGINDGAINN-UHFFFAOYSA-N 443.290 3.918 0 40 IHAB COc1ccc(NC(=O)c2cnc(C)cn2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 9441842 OIJPFWCZHOHVHY-UHFFFAOYSA-N 432.889 3.500 0 40 IHAB C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N[C@H]2CCSc3ccccc32)C1=O 9460347 YEOCKYFVDYLCAW-NBGIEHNGSA-N 445.544 3.960 0 40 IHAB CN(c1ccc(OCC(=O)NCC2CCCCC2)cc1)S(=O)(=O)c1ccccc1F 9509118 WYUJRGVSEFKLOW-UHFFFAOYSA-N 434.533 3.726 0 40 IHAB COc1ccc(-c2cc(C(=O)NCCCN3CCCC3=O)c3ccccc3n2)cc1OC 9509483 KUJAHHQMTPAVSJ-UHFFFAOYSA-N 433.508 3.661 0 40 IHAB O=C(Nc1ccc(Cl)cc1)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 9509528 AKBBRPVOKXOHGW-HNNXBMFYSA-N 429.325 3.703 0 40 IHAB O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)Nc1ccc(N2CCOCC2)cc1 9672023 ITIOURYWKNJDFO-UHFFFAOYSA-N 435.553 3.712 0 40 IHAB COc1cccc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccc(C)cc3)c3ccccc3O2)c1 9699518 VUESFKXGOZEJEU-QFIPXVFZSA-N 438.505 3.599 0 40 IHAB Cc1ccc(CNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 9720889 MFWZDLMGCXWQJW-UHFFFAOYSA-N 436.577 3.853 0 40 IHAB Cc1ccc(NC(=O)CSCCOc2ccccc2)cc1S(=O)(=O)N1CCCCC1 9882904 ANKCJCUUCJRALA-UHFFFAOYSA-N 448.610 3.920 0 40 IHAB C[C@H](Sc1nnc(Nc2ccc(OC(F)(F)F)cc2)s1)C(=O)N1CCOCC1 9960603 GZZRTYVIRLUJRC-JTQLQIEISA-N 434.465 3.520 0 40 IHAB C[C@@H](Sc1nnc(-c2cccnc2)n1Cc1ccco1)C(=O)Nc1ccc2c(c1)OCO2 10026798 NDPIPUYWTSPFDO-CQSZACIVSA-N 449.492 3.829 0 40 IHAB Cc1cc(C)cc(NC(=O)CSc2nc(=O)n(Cc3ccncc3)c3c2CCCC3)c1 10186692 PDZJHHCPFVQMHO-UHFFFAOYSA-N 434.565 3.913 0 40 IHAB COc1cc(CNC(=O)CCn2c(=O)oc3cc(Cl)ccc32)ccc1OC(F)F 10441834 VOMPLBBORYBQOF-UHFFFAOYSA-N 426.803 3.564 0 40 IHAB CCOCCCN1C(=S)N[C@@H](c2cccc(F)c2)C(C(=O)Nc2cc(C)on2)=C1C 11558501 VKZZAFBIMZIVPQ-IBGZPJMESA-N 432.521 3.693 0 40 IHAB COc1ccc2nc(-c3ccc(OC)c(NS(=O)(=O)c4ccc(Cl)cc4)c3)cn2n1 11693559 IWNRZEOBTCCNJG-UHFFFAOYSA-N 444.900 3.868 0 40 IHAB CCOc1ccc(CN(C(=O)c2cc(-c3ccccc3)on2)[C@@H]2CCS(=O)(=O)C2)cc1 11917141 XPOREFNGKJAOBG-LJQANCHMSA-N 440.521 3.570 0 40 IHAB CCN1CCN(c2ccc(NC(=O)C[C@H]3Sc4ccc(Cl)cc4NC3=O)cc2)CC1 11952860 WQOITCXVXCRALV-HXUWFJFHSA-N 444.988 3.924 0 40 IHAB C[C@@H]1Cc2ccccc2N1C(=O)CN1CCC[C@@H](n2c(=O)oc3ccc(Cl)cc32)C1 12184550 QWQLEKCDWXPXEY-CRAIPNDOSA-N 425.916 3.863 0 40 IHAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)N3CCc4sccc4C3)CC2)c1C 12212699 IHLAMNCKJDLUAB-UHFFFAOYSA-N 446.638 3.967 0 40 IHAB O=C(Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)N1CCc2sccc2C1 12216484 CAVWYWBZANWGES-UHFFFAOYSA-N 430.526 3.815 0 40 IHAB CCc1ccccc1N1CCN(C(=O)c2ccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)cc2)CC1 12556187 HNTCOBGIIHRDLH-ZRZAMGCNSA-N 445.563 3.891 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1ccccc1)n2CC 12578205 HOGLIIYQABEPMQ-UHFFFAOYSA-N 428.558 3.658 0 40 IHAB Cc1cc(SCC(=O)O[C@@H](C)C(=O)NC(=O)NC2CCCCC2)nc2ccccc12 12632560 UQWMUXZJDGOCGE-HNNXBMFYSA-N 429.542 3.726 0 40 IHAB CC(=O)O[C@@H]1C[C@]2(C)[C@H](C(C)=O)CC[C@@H]2[C@@H]2CC[C@@H]3CC4(CC(=O)[C@]3(C)[C@@H]21)OCCO4 12661229 RUQBPCMPFRJFIH-YEBZQEAVSA-N 432.557 3.698 0 40 IHAB biogenic O=C(Cn1nnc(-c2cccs2)n1)Nc1ccc(Br)c(C(F)(F)F)c1 12903728 ZFFXYXQDDRTKOG-UHFFFAOYSA-N 432.225 3.822 0 40 IHAB CC(C)(C)c1ccc(OCc2ccc(C(=O)N3CCN(CC(=O)NC4CC4)CC3)cc2)cc1 12913528 IHTCOFLOPSLLLR-UHFFFAOYSA-N 449.595 3.600 0 40 IHAB CCN(CC(=O)Nc1c(F)cccc1F)Cc1cc2c(cc1Br)OCCO2 12926671 JWTYGTRHRLFYML-UHFFFAOYSA-N 441.272 3.959 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCN(CCOc3ccc(C(C)C)c(C)c3)CC2)cc1 13031569 PEHFNIIGCMFRTL-UHFFFAOYSA-N 446.613 3.902 0 40 IHAB O=C(CN1CCN(C(=O)C2(c3ccccc3)CC2)CC1)Nc1ccccc1C(F)(F)F 13038523 IDBBESUECLDFEU-UHFFFAOYSA-N 431.458 3.520 0 40 IHAB COc1ccc(-c2cc(C(F)(F)F)nc(N3N=CC[C@]3(O)C(F)(F)F)n2)cc1OC 13643310 BTCVFJLNRPUZPY-HNNXBMFYSA-N 436.312 3.626 0 40 IHAB COc1ccc(Cl)cc1C(=O)Nc1nnc([C@@H]2CC(=O)N(c3ccccc3)C2)s1 13944365 BANKKVOJSNWYCM-GFCCVEGCSA-N 428.901 3.973 0 40 IHAB O=C(C(=O)N1CCOCC1)c1cn(CCOc2cccc3ccccc23)c2ccccc12 14136033 ANSBXGHREHIGDX-UHFFFAOYSA-N 428.488 3.915 0 40 IHAB COCCn1c(SCc2nc(-c3ccc(C)c(F)c3)no2)nc2ccccc2c1=O 14236750 QTXVZSRAJLPOIE-UHFFFAOYSA-N 426.473 3.833 0 40 IHAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1n[nH]c(=O)c3ccccc13)CC2 14246436 LPGMMQJWDUAZPH-QFIPXVFZSA-N 447.516 3.790 0 40 IHAB CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1nc(-c2cc(Cl)sc2Cl)cs1 16847810 URBQRPJGVWGCOU-VIFPVBQESA-N 426.372 3.541 0 40 IHAB C[C@@H](NC(=O)CNC(=O)c1sc2ccccc2c1Cl)c1ccc(-n2cncn2)cc1 18159557 JETYYIYNBQBDNG-CYBMUJFWSA-N 439.928 3.743 0 40 IHAB CCc1noc(C)c1C(=O)N1CCNC(=O)[C@H](Cc2ccc(-c3cccc(C)c3)cc2)C1 19521246 RXEAJTRPXWBNOE-JOCHJYFZSA-N 431.536 3.952 0 40 IHAB CCNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)Cc2ccccn2)C1 19528913 CTLNQUUZILVLGZ-VWLOTQADSA-N 433.577 3.950 0 40 IHAB CCNC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CN(C(=O)c2ccccc2)CCO1 19529269 ITUWJPSKFMRYPW-MHZLTWQESA-N 428.532 3.944 0 40 IHAB COc1ccc(CCCC(=O)N2CCC[C@@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)cc1C 19571294 NMRLPHOVHAHFAE-CEXWTWQISA-N 447.530 3.847 0 40 IHAB COc1ccc(OCc2sc([C@]3(O)CCCN(c4ncccn4)CC3)nc2C)cc1 19705213 JBCFFBWQTLMBJM-QFIPXVFZSA-N 426.542 3.707 0 40 IHAB CC(=O)N[C@H]1C[C@@H](c2ccc(NC(=O)c3ccc(-n4cnnc4)cc3)cc2)O[C@@H](C(C)C)C1 19711772 DNULEICNQSULTQ-JRFVFWCSSA-N 447.539 3.900 0 40 IHAB O=C(Nc1ccc(F)c(F)c1F)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 20016597 WVVOJODPFSXIIY-LLVKDONJSA-N 432.851 3.797 0 40 IHAB C[C@@H]1[C@@H](NC(=O)C2CC2)CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NCc3cccs3)[C@H](O)[C@@H]12 20466697 PXLTVWHAURQFLZ-HHYYZMLDSA-N 432.630 3.719 0 40 IHAB biogenic,in-vitro CCNC(=O)N[C@H]1CC[C@]2(C)CC[C@@H]([C@H](C)C(=O)NCc3ccc(F)cc3)[C@H](O)[C@H]2[C@@H]1C 20467301 RICZWJRTJRILCB-VKJOOLBJSA-N 447.595 3.589 0 40 IHAB biogenic,in-vitro COc1ccc(NC(=O)Nc2ccccc2OCc2cc(=O)n3ccccc3n2)cc1OC 21156606 HBAREKLCWZBNKS-UHFFFAOYSA-N 446.463 3.935 0 40 IHAB Cc1ccc(NC(=O)c2ccccc2C)cc1OCc1cc(=O)n2c(ncn2C(C)C)n1 21797079 NLOYQZQVCCHKOK-UHFFFAOYSA-N 431.496 3.920 0 40 IHAB CCCN(CC(=O)Nc1ccccc1C)C(=O)COC(=O)COc1c(C)cc(C)cc1C 22149982 OQJLZAJCNIOLEN-UHFFFAOYSA-N 440.540 3.720 0 40 IHAB COc1ccccc1NC(=O)Cn1cccc(-c2nc(-c3ccc(Cl)cc3)no2)c1=O 23126132 WXFQDPMKPCAISI-UHFFFAOYSA-N 436.855 3.866 0 40 IHAB CCOc1cccc(COC(=O)Cc2cc(OC)c(OC)c(OC)c2)c1OC(F)F 24842355 LWJUSMAZKADCBE-UHFFFAOYSA-N 426.412 3.998 0 40 IHAB CCn1c(CN2CCC[C@H]2c2ccc(F)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 25443962 OREVYAWMANQTCL-FQEVSTJZSA-N 430.549 3.783 0 40 IHAB CCOc1ccc(Oc2ccc(NC(=O)Cc3csc(NS(C)(=O)=O)n3)cc2)cc1 29974474 ILDRCYWNBNAAKV-UHFFFAOYSA-N 447.538 3.887 0 40 IHAB O=C(Cn1ncc2ccccc2c1=O)Nc1nc(-c2ccc(Br)s2)cs1 32764518 QDWODFMRSAPOOR-UHFFFAOYSA-N 447.339 3.983 0 40 IHAB O=C(NCc1ccc(N2CCCC2=O)cc1)[C@@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21 32781138 NMWXMXUOWWLVQB-PKTZIBPZSA-N 445.563 3.825 0 40 IHAB Cc1cccc(OCC(=O)Nc2cccc(OCc3cc(=O)n4cc(C)ccc4n3)c2)c1 33068148 SQHQPCOBUVWBDG-UHFFFAOYSA-N 429.476 3.908 0 40 IHAB Cc1cc(C)n(CCNC(=O)c2cc(C3CC3)nc3c2c(C)nn3Cc2ccccc2)n1 36616916 YTHPODCNFUJILR-UHFFFAOYSA-N 428.540 3.909 0 40 IHAB CCn1nccc1[C@H](C)NC(=O)c1cc(C2CC2)nc2onc(-c3cnn(CC)c3C)c12 36619132 PHBLUTZTOWZDFT-ZDUSSCGKSA-N 433.516 3.999 0 40 IHAB O=C1C[C@@H](c2ccccc2)N(Cn2nc(-c3cccs3)n(C3CC3)c2=S)CCN1 48365778 PWVMSWWTOSQAPO-KRWDZBQOSA-N 425.583 3.998 0 40 IHAB CCOc1ccccc1OCC(=O)N[C@H](C)c1cc(F)ccc1N1CCN(CC)CC1 58171830 ZGAFCEHAKZZQSM-GOSISDBHSA-N 429.536 3.623 0 40 IHAB CCOc1ccc(NC(=O)Cn2cc(-c3nc(-c4cccc(C)c4)no3)ccc2=O)cc1 67289372 XYQIZBZXTDSGIF-UHFFFAOYSA-N 430.464 3.911 0 40 IHAB COc1ccc(C2=NC3(CCCCC3)N(CC(=O)Nc3ccc(F)cc3F)C2=O)cc1 71768944 SWRYVIDBYSNEES-UHFFFAOYSA-N 427.451 3.904 0 40 IHAB CCn1cc(S(=O)(=O)N2CC[C@H](c3cc(Cc4cccc(F)c4)cc(C)n3)C2)c(C)n1 72374803 LGKGERWNJWXDDH-FQEVSTJZSA-N 442.560 3.823 0 40 IHAB CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC[C@H]2c2cc(Nc3ccccn3)[nH]n2)CC1 72382925 JTDZMLUZXCOYQT-SFHVURJKSA-N 440.548 3.859 0 40 IHAB CN(C)CCOc1ccccc1N1CCN(C(=O)CCSc2ccccc2F)CC1 78825109 QVDALMSBDUAOLQ-UHFFFAOYSA-N 431.577 3.597 0 40 IHAB CCC[C@@H]1CCc2ccccc2N1CC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC 79106870 CWTYBWFALWEASO-GOSISDBHSA-N 445.585 3.506 0 40 IHAB O=C(CCc1nc(-c2cccnc2)no1)N(Cc1ccccc1)C[C@H](O)c1ccsc1 84535618 RRJIDDLTZWCWDO-FQEVSTJZSA-N 434.521 3.888 0 40 IHAB COc1ccc(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)nc1I 89775721 HZMLFGIDMYQUNC-UHFFFAOYSA-N 439.253 3.542 0 40 IHAB COC(=O)CCC1CCN(C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)CC1 95452720 SGFRUBZKKJVNNB-HSZRJFAPSA-N 444.597 3.680 0 40 IHAB O=C(OC1CCN(c2nncc3ccccc23)CC1)[C@H]1CCn2c(cnc2C(F)(F)F)C1 96013445 LBSADQGBCGPWOL-AWEZNQCLSA-N 445.445 3.620 0 40 IHAB O=C(c1ccc2c(c1)OCO2)N1Cc2ccccc2C2(CCN(c3ncc(F)cn3)CC2)C1 96242633 DZKVZYCUOFAOOZ-UHFFFAOYSA-N 446.482 3.539 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(N3CCN(C)CC3)cc2)c(Cl)c1Cl 113935611 FDWRFGXVLMYZPI-UHFFFAOYSA-N 430.357 3.555 0 40 IHAB CC(C)Oc1cccc(CCCNC(=O)CCCN(c2ccccc2)S(C)(=O)=O)c1 219169607 BHIRDJSAKRLNIP-UHFFFAOYSA-N 432.586 3.769 0 40 IHAB CC[C@H](C(=O)NCCCc1ccccc1OC)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220575908 BYLMZGOBSBIVED-OAQYLSRUSA-N 432.586 3.606 0 40 IHAB COc1cccc(-c2noc(CN(C)C(=O)[C@@H]3CCCN(Cc4ccc(F)cc4)C3)n2)c1 222601133 OMLSKLOTSAEMOG-LJQANCHMSA-N 438.503 3.755 0 40 IHAB CCOCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1 222926060 JKDVSTLHCQDNIW-KRWDZBQOSA-N 434.939 3.982 0 40 IHAB CSc1nnc(NC(=O)c2ccc(CN(c3cccc(C)c3)S(C)(=O)=O)cc2)s1 223081257 IOWJLHAJDMBCAM-UHFFFAOYSA-N 448.595 3.787 0 40 IHAB COc1ccc(OC)c([C@H](C)NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)c1 223620866 FQKMRIUENDZKIT-INIZCTEOSA-N 442.537 3.500 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)NCC2=CCCCC2)c2ccc(C)cc2)cc1 223737378 PDZWNCPSEQXMNL-UHFFFAOYSA-N 428.554 3.816 0 40 IHAB COc1ccc(S(=O)(=O)N(C)c2cc(C(=O)NCCCc3ccco3)ccc2C)cc1 224327305 GVWAJMBDWJXDRN-UHFFFAOYSA-N 442.537 3.784 0 40 IHAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 224894919 WYCDYDWHDICTRW-KRWDZBQOSA-N 446.447 3.777 0 40 IHAB CC[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N(c1ccccc1F)S(C)(=O)=O 224972820 XTBUSJJPCBGSPB-HXUWFJFHSA-N 433.549 3.999 0 40 IHAB CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(OC)c(OC)c1 225033858 SSSANWWAIDFXND-GOSISDBHSA-N 442.556 3.589 0 40 IHAB Cc1cc(C(=O)N2CCOC[C@@H](Cc3ccc4ncccc4c3)C2)nc(N2CCCCC2)n1 257221555 DPOKGDXLSRHAML-NRFANRHFSA-N 445.567 3.655 0 40 IHAB CN1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)CN1CCCCCC1=O)[C@@H]2Cc1ccccc1 257241630 HYVIBKKZRNOCFN-PFGYYQCGSA-N 437.628 3.864 0 40 IHAB CNC(=O)c1cnn([C@H]2CCCN(C(=O)C3(c4ccc(Cl)cc4)CCCC3)CC2)c1 257261169 LGAUIOVFUDWCKA-FQEVSTJZSA-N 428.964 3.962 0 40 IHAB Cc1nn(C)cc1S(=O)(=O)N1CCCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1 257292282 QKUBAVRFIRRCGK-SFHVURJKSA-N 434.949 3.877 0 40 IHAB Cc1ccc(=O)n(CC(=O)N2CCCC[C@H]2c2ncc(Cc3ccc(Cl)cc3)o2)n1 257293605 QQIXIFAQTNVSSF-IBGZPJMESA-N 426.904 3.538 0 40 IHAB CC[C@@H](C(=O)N[C@H](CC)c1ccc(OC)c(C)c1)N(c1ccc(F)cc1)S(C)(=O)=O 260741000 CJBVJSMKZYGRCK-UXHICEINSA-N 436.549 3.955 0 40 IHAB O=c1c2c(nc3n1CC1(CCN(Cc4cccs4)CC1)C3)CCN(Cc1ccccc1)C2 306139744 TZARINPOEQHSKP-UHFFFAOYSA-N 446.620 3.702 0 40 IHAB O=C(O)CC[C@H](c1ccccc1)N1CCN(C(=O)c2ccc(Br)cc2)CC1 408604062 CZOUPTHVBLYPSU-LJQANCHMSA-N 431.330 3.813 0 40 IHAB Cn1c([C@H](NC(=O)C[C@@H]2Oc3ccccc3NC2=O)c2ccccc2)nc2ccccc21 503156358 RNBHJAKSGHUEFB-JTHBVZDNSA-N 426.476 3.569 0 40 IHAB CC(C)(C)S(=O)(=O)N1CCC(NC(=O)NCC2(c3ccccc3)CCCCC2)CC1 570262506 COVPGWGAWKYEET-UHFFFAOYSA-N 435.634 3.780 0 40 IHAB O=S(=O)(NC[C@H](O)c1ccc(-c2cccs2)o1)c1ccc(OC(F)(F)F)cc1 1775966888 LKDJAUFGAYMITE-ZDUSSCGKSA-N 433.429 3.919 0 40 IHAB O=C(N1CC[C@H](Oc2ccncc2Br)C1)C1(c2ccccc2)CCOCC1 1776007894 KRXWDBVPCAOFFH-KRWDZBQOSA-N 431.330 3.572 0 40 IHAB CN(CCC(=O)N1CCO[C@H](c2cccc(Nc3nccs3)n2)C1)c1cccc(F)c1 2037834561 QEPUMDLDQZHJAH-IBGZPJMESA-N 441.532 3.847 0 40 IHAB CCOC(=O)c1c(NC(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)sc(C)c1C 783538 PTUXWFAUDXVWBH-UHFFFAOYSA-N 444.962 3.502 0 40 IHAB COC(=O)c1ccc(NC(=O)c2ccc(Cn3cc(C(F)(F)F)ccc3=O)cc2)cc1 1400121 QMHBZKKFWADMOH-UHFFFAOYSA-N 430.382 3.954 0 40 IHAB COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(OC(C)C)c(OC)c2)N1C(C)=O 2087728 ROVKXANRMCNNOH-YKSBVNFPSA-N 436.508 3.999 0 40 IHAB biogenic COc1cc([C@@H]2CC(=O)c3cnc(NC(=O)c4ccc(C)cc4)nc3C2)cc(OC)c1OC 2423982 APPLCVZKONVAFE-INIZCTEOSA-N 447.491 3.976 0 40 IHAB COc1ccc(Cn2c(SCC(=O)NCc3ccco3)nc3ccsc3c2=O)cc1 2908660 SDYFZLBGKNQASX-UHFFFAOYSA-N 441.534 3.516 0 40 IHAB COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(Cc3cccc(OC)c3)C2=O)cc1 3298184 YCIHRPUHOLPKRY-UHFFFAOYSA-N 432.476 3.708 0 40 IHAB COC[C@H](C)n1c(SCC(=O)Nc2cc(C)ccc2OC)nc2ccccc2c1=O 3371724 AXLXTGGGCYBZNP-HNNXBMFYSA-N 427.526 3.652 0 40 IHAB O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)Nc1ccc(Cl)c(C(F)(F)F)c1 3378136 BTHZABNCFPPYHB-LJQANCHMSA-N 437.805 3.691 0 40 IHAB COc1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2N)c(OC)c1 3529230 WWGIQIBXGKHSFU-UHFFFAOYSA-N 441.557 3.704 0 40 IHAB Cc1cc(NS(=O)(=O)c2ccc(NCc3nnc(-c4ccccc4)o3)cc2)nc(C)n1 6142829 PDUDKBZQFJDRIS-UHFFFAOYSA-N 436.497 3.556 0 40 IHAB Cc1ccc(S(=O)(=O)Cn2nnnc2[C@@H](c2ccc(Cl)cc2)N2CCCCC2)cc1 6197532 XLENKWQCWAZYCJ-HXUWFJFHSA-N 445.976 3.642 0 40 IHAB O=C(CN1CCC[C@@H](c2nc3ccccc3s2)C1)NC(=O)Nc1ccc2c(c1)OCO2 8755984 QQPKDILEHNLCDP-CQSZACIVSA-N 438.509 3.553 0 40 IHAB COc1ccc(NC(C)=O)cc1NC(=O)COc1ccccc1C(=O)NCc1ccccc1 8757132 KOVXOGFWSDGVGB-UHFFFAOYSA-N 447.491 3.601 0 40 IHAB CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(N2CCCCCC2)s1 8912419 JAGQOWDHERAPOW-UHFFFAOYSA-N 449.019 3.803 0 40 IHAB COc1cc(C=O)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1 9232105 NFSIASWUXCXVJG-UHFFFAOYSA-N 445.640 3.783 0 40 IHAB COc1cccc(C(=O)C[C@@]2(NC(C)=O)C(=O)N(Cc3ccccc3)c3ccccc32)c1 9306520 PWDFFMUXBDDCAP-SANMLTNESA-N 428.488 3.846 0 40 IHAB Cc1cc(Br)cc(C)c1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 9329124 MZIQHXRAWZCMKJ-HNNXBMFYSA-N 445.313 3.601 0 40 IHAB COc1cc(Cl)c(C)cc1N1C(=O)[C@H]2[C@@H](C(C)=O)N3C=Cc4ccccc4[C@H]3[C@@H]2C1=O 9348897 ZXOODZDVQKLXTF-YSFYHYPLSA-N 436.895 3.761 0 40 IHAB COc1ccccc1-n1c(SCC(=O)NCc2cccs2)nc2ccccc2c1=O 9396665 FJQFJGACGQSWAH-UHFFFAOYSA-N 437.546 3.864 0 40 IHAB COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(Br)cc2)c(OC)c1 9443696 FFRGMEVBUILCCY-GOSISDBHSA-N 446.301 3.733 0 40 IHAB CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN21 9455370 MVBFBZGUDXDXJB-NMLBUPMWSA-N 435.911 3.834 0 40 IHAB Cc1cc(C)c(OCC(=O)N(Cc2cccc(Cl)c2)[C@H]2CCS(=O)(=O)C2)c(C)c1 9459736 HDFLKGKRIVDKEO-FQEVSTJZSA-N 435.973 3.860 0 40 IHAB O=C(c1ccc(-n2cccc2)cc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 9470964 SCNVQSQMNXIYKH-UHFFFAOYSA-N 445.544 3.777 0 40 IHAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cc(OC)c(C)c(OC)c1 9509859 TTXMBXWMTNEFSY-UHFFFAOYSA-N 444.528 3.899 0 40 IHAB O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1cncc(Br)c1 9612994 SSGOLDMMRIUBAF-UHFFFAOYSA-N 438.347 3.661 0 40 IHAB Cc1cc(NC(=O)c2ccc(F)c(F)c2)n(-c2ncnc3c2cnn3-c2ccc(F)cc2)n1 9661209 DONAMHJSIPQIIT-UHFFFAOYSA-N 449.396 3.979 0 40 IHAB O=C(CSc1nnnn1Cc1cccs1)Nc1ccc2c(c1)OC1(CCCCC1)O2 9740932 FENHTSBRMDAHIE-UHFFFAOYSA-N 443.554 3.945 0 40 IHAB O=S(=O)(NC[C@@H](c1cccs1)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 9741661 KCQXWKJGXIFTCY-SFHVURJKSA-N 441.983 3.895 0 40 IHAB COc1cccc(-n2c(SCC(=O)Nc3ccccc3F)nc3ncccc3c2=O)c1 9830400 BCIMFHTVTWDRNH-UHFFFAOYSA-N 436.468 3.659 0 40 IHAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cc(C)n(C4CC4)c3C)cc2)n1 9910239 ZBXLBBHIFLXFQY-UHFFFAOYSA-N 439.541 3.900 0 40 IHAB Cc1c([C@H]2c3ccccc3C(=O)N2CC(=O)NCCCOC(C)C)c2ccccc2n1C 9934484 MOFRIGCPXOHZDZ-RUZDIDTESA-N 433.552 3.963 0 40 IHAB Cc1cc(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)ccc1NS(C)(=O)=O 10314817 JORIKQGKHUQLKS-UHFFFAOYSA-N 429.542 3.681 0 40 IHAB CC(C)OCCCNC(=O)c1ccc(CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 10332934 FYZFZIYBZFMYAL-UHFFFAOYSA-N 438.977 3.851 0 40 IHAB O=C(N[C@@H]1CCSc2ccc(F)cc21)c1ccc(S(=O)(=O)N2CCCCC2)cc1 10964631 DUCBRYVTBBGDST-LJQANCHMSA-N 434.558 3.967 0 40 IHAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(Oc2ccccc2Cl)cc1 11059528 LRZALEUBEPKZGS-UHFFFAOYSA-N 442.880 3.916 0 40 IHAB CC(=O)Nc1ccc(NC(=O)CSc2ccc(NC(=O)c3cccc(F)c3)nn2)cc1 11737921 RDBWQXOSILBISX-UHFFFAOYSA-N 439.472 3.557 0 40 IHAB Cc1nc(-n2nc(-c3ccco3)cc2NC(=O)c2cc(-c3ccccc3)on2)[nH]c(=O)c1C 12008495 SIFFYDDWPFLECP-UHFFFAOYSA-N 442.435 3.740 0 40 IHAB CCOc1ccc(CN2CCC[C@@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)cc1OC 12182118 GUMSRHAIURXJMJ-JTDSTZFVSA-N 439.482 3.885 0 40 IHAB CCOc1ncc(C2(O)CCN(Cc3ccccc3C(F)(F)F)CC2)c(OCC)n1 12186399 KIRVSNSTUPOGKQ-UHFFFAOYSA-N 425.451 3.776 0 40 IHAB Cn1c(=O)n(CCC(=O)Nc2nnc(SCc3ccc(F)cc3)s2)c2ccccc21 12269094 UUPRMMPCWWDOSO-UHFFFAOYSA-N 443.529 3.652 0 40 IHAB COCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1ccccc1F 12321091 NFPZAJMFHYBWAX-UHFFFAOYSA-N 430.501 3.976 0 40 IHAB COc1ccc(NC(=O)[C@H](C)NC(=O)c2cc3c(OC)c(OC)ccc3[nH]2)cc1Cl 12321859 BZJKABXDQJMVBP-NSHDSACASA-N 431.876 3.604 0 40 IHAB COc1cc(Br)c(S(=O)(=O)N[C@@H]2CCSc3ccccc32)cc1OC 12799314 OMZSYHCXUBRWFX-CYBMUJFWSA-N 444.372 3.982 0 40 IHAB C[C@H](Sc1nnc(NCc2ccccc2)s1)C(=O)c1ccc2c(c1)NC(=O)CO2 13002113 MZIFORGIVYCMKA-LBPRGKRZSA-N 426.523 3.845 0 40 IHAB COc1ccc(CCNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)cc1OC 13566840 BEQKPYZNPYHWJV-UHFFFAOYSA-N 446.550 3.539 0 40 IHAB Cn1c2ccc(Br)cc2c2nnc(SCn3nnc4ccccc43)nc21 13942889 YOGRDSRYQNKANX-UHFFFAOYSA-N 426.303 3.774 0 40 IHAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)CSc1ncc(-c2ccccc2)nn1 15080178 SVHHEBYMWQCPJF-SIKLNZKXSA-N 431.565 3.774 0 40 IHAB O[C@@H]1C[C@@H](c2nc(-c3ccc4c(c3)OCO4)no2)N(Cc2ccc(-c3ccccn3)cc2)C1 15675017 GRESFOUYGFLDLH-CTNGQTDRSA-N 442.475 3.835 0 40 IHAB biogenic,in-vitro CCc1ccc(S(=O)(=O)Nc2cccc(NS(=O)(=O)c3ccc(CC)cc3)n2)cc1 16162058 MUYOPMSNNMZKCM-UHFFFAOYSA-N 445.566 3.808 0 40 IHAB COc1ccccc1/C=C/CN1C[C@@H](c2ccc(NC(C)=O)cc2)[C@@]2(CCCC(=O)N2)C1 19022612 RWAFPCWWNWCWKB-VHJYKNPKSA-N 433.552 3.805 0 40 IHAB O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1ccccc1S[C@@H]1CCS(=O)(=O)C1 19358493 HMQRUVZRPYKCJS-GFCCVEGCSA-N 427.450 3.540 0 40 IHAB CCCN1CCN(C(=O)c2cn(C)cn2)C[C@@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 19502756 JADBEYLRIBJYQR-OAQYLSRUSA-N 448.542 3.780 0 40 IHAB CCCN1CCN(C(=O)c2c(C)noc2C)C[C@H](Cc2cccc(-c3ccncc3)c2)C1=O 19503123 IUKFWBMOEFANIL-QHCPKHFHSA-N 446.551 3.907 0 40 IHAB CCn1ncc(C(=O)N2CCC(c3nc(N4CCCC4)ncc3-c3cc(C)no3)CC2)c1C 19523881 GBYMRFAJZZYPRU-UHFFFAOYSA-N 449.559 3.585 0 40 IHAB CCN1CCN(C(=O)c2ccccc2OC)C[C@H](Cc2cccc(-c3cccnc3)c2)C1=O 19527561 XQPBOXXLYUFTER-QHCPKHFHSA-N 443.547 3.920 0 40 IHAB CNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCN(Cc2cccc(OC)c2OC)C1 19591728 MZUJRKCQXICEQX-HHHXNRCGSA-N 445.563 3.947 0 40 IHAB O=C(NC1CCCC1)c1ccc(C2CCN(C(=O)COc3ccccc3F)CC2)nc1 19705852 NJOVWDPEXLUHPS-UHFFFAOYSA-N 425.504 3.678 0 40 IHAB Cc1nc(C2CCN(Cc3ncc[nH]3)CC2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 19739310 MFTWHLAOSJITNQ-UHFFFAOYSA-N 434.519 3.506 0 40 IHAB COc1ccccc1C(=O)NC(=S)Nc1nc2ccc(C(=O)OC(C)C)cc2s1 20411876 KNKITDWHRYNIIE-UHFFFAOYSA-N 429.523 3.997 0 40 IHAB COc1ccc(Cl)cc1NC(=O)C[C@@H]1C(=O)Nc2nc(-c3ccc(Cl)cc3)nn21 20728920 ZNZHUHNCLOPJHM-CQSZACIVSA-N 432.267 3.783 0 40 IHAB CC(=O)N[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccc(C)cc1 21413340 MBKYWYIIGGIXRL-KRWDZBQOSA-N 431.418 3.801 0 40 IHAB O=C(Nc1ccccc1)N1CCC[C@H](C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)C1 21636869 ROBNMIGEKJABKP-FQEVSTJZSA-N 440.975 3.928 0 40 IHAB CCN(Cc1ccc2c(c1)OCO2)C(=O)CSc1nc(C)c(C)n1C[C@@H]1CCCO1 22092200 ORXMDHIJEKYMFK-SFHVURJKSA-N 431.558 3.548 0 40 IHAB CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(F)cc2)cc1 22271394 JPEPXSWSOXBVEB-JOCHJYFZSA-N 442.512 3.753 0 40 IHAB COc1ccc(S(=O)(=O)NC[C@H](c2cccs2)N2CCc3ccccc3C2)cc1 22907963 ATQVWSZHOFYTCV-OAQYLSRUSA-N 428.579 3.835 0 40 IHAB COc1cc(CNCCNCCO)cc(Cl)c1OCc1ccc(Cl)cc1Cl 22942543 ISALSIIWLIOJBV-UHFFFAOYSA-N 433.763 3.906 0 40 IHAB CCOC(=O)/C=C/c1ccc(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)cc1 23055008 NEBFJACFFLHECF-VMPITWQZSA-N 428.794 3.736 0 40 IHAB COc1ccccc1-n1ncc2c(C(C)C)nnc(SCC(=O)Nc3cc(C)on3)c21 23137900 ABUOLEULPCZILK-UHFFFAOYSA-N 438.513 3.975 0 40 IHAB Cc1nn(CC(C)C)c2sc(C(=O)N3CCN(Cc4ccc5c(c4)CCO5)CC3)cc12 23995197 VWXDFOXFYVWXAH-UHFFFAOYSA-N 438.597 3.955 0 40 IHAB O=C(COc1ccc(F)cc1)N(Cc1cccc2ccccc12)[C@@H]1CCS(=O)(=O)C1 27663966 PALQSEBYMBWGNN-HXUWFJFHSA-N 427.497 3.574 0 40 IHAB COc1cccc(NC(=O)CSc2nnc(-n3cccc3)n2-c2cccc(OC)c2)c1 28534790 MEEHODVGZNNSTL-UHFFFAOYSA-N 435.509 3.806 0 40 IHAB O=C(NCCSCc1ccccc1)c1ccc(S(=O)(=O)Nc2ccncc2)cc1 28867781 LCYIRUDPJUCPOZ-UHFFFAOYSA-N 427.551 3.546 0 40 IHAB COc1ccc(Cl)cc1C(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 30063154 DAAQBLNBCBQJPP-UHFFFAOYSA-N 434.945 3.726 0 40 IHAB Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1 38849601 HNIOAPKEYZEHEU-KRWDZBQOSA-N 429.325 3.858 0 40 IHAB CCOc1ccc(-n2c(SCC(=O)Nc3ccc(C)c(C)c3)nc3[nH]ncc3c2=O)cc1 51316428 IKPRMZVPQJGODX-UHFFFAOYSA-N 449.536 3.855 0 40 IHAB Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CCN([C@@H](C)c2nc(C3CC3)no2)CC1 59374069 XDAFTQYJFJAYNW-KRWDZBQOSA-N 446.617 3.929 0 40 IHAB O=C(CN1CCCN(c2nccs2)CC1)N[C@H](c1ccc(F)cc1)c1cccs1 60099638 PNVJNCZGBTZBGC-HXUWFJFHSA-N 430.574 3.762 0 40 IHAB C[C@H](Oc1ccc(C(=O)NCc2ccccc2CN2CCN(C)CC2)cn1)c1ccccc1 65551329 GCEDOTLCKUFXOD-NRFANRHFSA-N 444.579 3.899 0 40 IHAB Cc1nc(-c2cccc(F)c2)n(CC(=O)Nc2cccc(C(F)(F)F)c2)c(=O)c1CCO 67316633 RCZRSYKUGLWGTR-UHFFFAOYSA-N 449.404 3.550 0 40 IHAB Cn1ccnc1COc1ccc(C(=O)Nc2nc3ccccc3nc2N2CCCC2)cc1 69949971 URKWJTAWWXYZQU-UHFFFAOYSA-N 428.496 3.795 0 40 IHAB CCOc1ccccc1N1CCN(Cc2csc(CNC(=O)c3ccccc3)n2)CC1 72309021 NOAJJBPZWNCPQB-UHFFFAOYSA-N 436.581 3.794 0 40 IHAB COc1cc2c(cc1CN1CCC[C@H](c3cc(-c4cnc(N)nc4)cc(C)n3)C1)OCCO2 72353765 UPKVTIYWEFJYIR-KRWDZBQOSA-N 447.539 3.589 0 40 IHAB Cc1ccn(CCC(=O)N2CC[C@@H](c3cc(CCOc4ccc(Cl)cc4)[nH]n3)C2)n1 72371448 GAQQKOSXRNMKQG-QGZVFWFLSA-N 427.936 3.596 0 40 IHAB O=C(Nc1nccs1)c1ccc([C@@H]2CCCN2C(=O)COc2ccccc2F)nc1 72374448 UMCDNAPSLJCTCK-KRWDZBQOSA-N 426.473 3.672 0 40 IHAB COc1ccc(NC(=O)CN2CCC[C@H](c3cc(Nc4ncccn4)cc(C)n3)C2)cc1 72374848 XSNSVZCPHUUHQQ-SFHVURJKSA-N 432.528 3.750 0 40 IHAB Cc1cc(CSc2ncccc2C(=O)N2CCCN(c3nc4ccccc4[nH]3)CC2)no1 78725967 DBNJEDGEVNISIO-UHFFFAOYSA-N 448.552 3.899 0 40 IHAB CN1CCN(c2ccc(NC(=O)c3cc(-c4ccccn4)no3)c(C(F)(F)F)c2)CC1 83881696 QDVPXGPHUPRSRJ-UHFFFAOYSA-N 431.418 3.760 0 40 IHAB COc1cc(I)c(Cl)cc1C(=O)NCc1ccc(F)c(CO)c1 89420784 SFOXSXOOLMVNOJ-UHFFFAOYSA-N 449.647 3.515 0 40 IHAB CCCC(=O)N1CCc2nc3cc(C4CCN(Cc5ccccc5C)CC4)nn3c(O)c2C1 100243059 CPSJUDVDOCTKAP-UHFFFAOYSA-N 447.583 3.808 0 40 IHAB Cc1ccc(-c2nnc(SCC(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)n2CCC(=O)O)cc1 104024951 RESAWRCJTNQCED-CAMMJAKZSA-N 442.585 3.761 0 40 IHAB C[C@H](NS(=O)(=O)c1ccc(NC(=O)c2ccc(C(=O)O)cc2)cc1)[C@H]1C[C@H]2CC[C@H]1C2 108997168 AUOHEGIZVMEXHB-YAUSHBINSA-N 442.537 3.740 0 40 IHAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc2c(c1)OCO2 222899904 CQFJETYRXORUSL-MRXNPFEDSA-N 428.504 3.819 0 40 IHAB COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(C(=O)O)cc1 223066881 FCNOZXSYVZZPIE-RTWAWAEBSA-N 436.537 3.580 0 40 IHAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1 223288186 GMHVRQHMSBTYKR-VWLOTQADSA-N 446.547 3.850 0 40 IHAB Cc1cccc(OCCNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c1C 223935928 SNJKRRSKMWLRSP-UHFFFAOYSA-N 430.551 3.975 0 40 IHAB CCOc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1COc1ccc(C)cc1 224469738 DMCQDOAWZNLNHN-UHFFFAOYSA-N 440.521 3.872 0 40 IHAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)Nc3ccccc3C(F)(F)F)s2)c1 224686338 XXPMILJTQNNFSW-UHFFFAOYSA-N 442.444 3.918 0 40 IHAB COc1ccccc1OC[C@@H](C)NC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(C)cc1 225655795 UHSMYFRNWKQION-AFDUHFSSSA-N 434.492 3.951 0 40 IHAB O=C(NCc1ccco1)c1c(NC(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)O)sc2c1CCCC2 225774169 SISLPRPSHIFJOM-RUZGCFLTSA-N 440.521 3.611 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)CN(CC)S(=O)(=O)c2cc(C)ccc2C)cc1 225935043 LPWRLYNLTHCLRR-UHFFFAOYSA-N 446.569 3.910 0 40 IHAB Cc1cc(CN2CCc3c(O)nc(N4CCC[C@@H](C)C4)nc3C2)c(C)n1C[C@H]1CCCO1 253530814 UPPWSZJSZAHBDR-DYESRHJHSA-N 439.604 3.574 0 40 IHAB O=S(=O)(c1ccc(F)cc1)N1CCC2(CC1)Oc1c(O)cccc1[C@H]1OCCC[C@@H]12 257200703 AENSMDVLHMXRHB-AZUAARDMSA-N 433.501 3.615 0 40 IHAB COCc1ccc(C(=O)N2CCO[C@@H](c3cc(Nc4nc(C)cc(C)n4)cc(C)n3)C2)cc1 257270717 MVJQEMUKJQCNEX-HSZRJFAPSA-N 447.539 3.901 0 40 IHAB CCCN1CCN(C(=O)C2CCC(OC)CC2)[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O 257317135 VINKGRPHLQXCDE-DDJHWDJXSA-N 449.595 3.946 0 40 IHAB Cc1cccc(CN2C[C@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccccc2)C3=O)c1 306128267 GVRFGIBNRRLICG-XNMGPUDCSA-N 427.548 3.787 0 40 IHAB CC(C)COC(=O)c1cccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(F)cc2)c1 408656014 FCQNYSRKBMIJMX-UHFFFAOYSA-N 444.459 3.539 0 40 IHAB COc1cccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Br)cc2)c1 408661700 BXGDLIRULGENEE-UHFFFAOYSA-N 449.301 3.748 0 40 IHAB Cc1cccc(C)c1N1C[C@H](C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)CC1=O 408664723 DJFLLXLIYRQSQU-OAHLLOKOSA-N 434.414 3.857 0 40 IHAB Cc1cccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCc2ccc(Cl)cc2)c1 408710053 NBFUSNVBLUWOGR-UHFFFAOYSA-N 435.911 3.833 0 40 IHAB CCOc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)ccc1OCC(=O)OC 409007048 NEGCRRCIHACAJX-ZHZULCJRSA-N 441.505 3.916 0 40 IHAB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cccn3-c3cccc(C)c3C)C2=O)c1 409091292 SLWRIHQFQQGMAT-KGENOOAVSA-N 428.492 3.934 0 40 IHAB O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl)NC1CCCCC1 409351636 VGFBQDVHEWOOHX-UHFFFAOYSA-N 428.982 3.779 0 40 IHAB O=C(Nc1sccc1C(=O)N1CCC(N2CCCC2=O)CC1)c1ccc2c(c1)CCC2 517835359 DVKCJXIIOQASMK-UHFFFAOYSA-N 437.565 3.716 0 40 IHAB O=C(Nc1cccc(S(=O)(=O)N2CCC[C@H](Cc3ccccc3)C2)c1)C(F)(F)F 1621758191 VGNMEJBDCDSYRD-MRXNPFEDSA-N 426.460 3.831 0 40 IHAB CC(C)(C)OC(=O)N1[C@@H](CNC(=O)CC2(O)CCCCC2)C[C@@]2(C)[C@@H](O)CCCC[C@@H]12 1848354833 MBVVHJCOIPIKKH-CROMWVBPSA-N 438.609 3.507 0 40 IHAB COCc1cn(C2C[C@@H]3CC[C@H](C2)N3c2ncc(C(F)(F)F)cc2Br)nn1 1888850390 YGAPKMAGYSYSDN-PBWFPOADSA-N 446.271 3.973 0 40 IHAB Cc1cc(C)cc(N2C[C@@H](C(=O)OCC(=O)c3ccc(Br)cc3)CC2=O)c1 993215 RCIZXCKBBFCSTO-INIZCTEOSA-N 430.298 3.845 0 40 IHAB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(OCc2ccc(C)cc2)c(OC)c1 1449934 ATKXWSCFAYVARC-NRFANRHFSA-N 426.538 3.939 0 40 IHAB CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)N[C@@H](C)c1ccccc1 2725827 MRLYEZNSKZARHJ-OXJNMPFZSA-N 430.932 3.905 0 40 IHAB Cc1noc(C)c1COc1cccc(C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)c1 3285482 XKBZESWEBYPURN-HNNXBMFYSA-N 438.436 3.783 0 40 IHAB O=C(COc1ncnc2ccccc12)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 3310550 KFOZEINFHYHDOB-UHFFFAOYSA-N 432.402 3.503 0 40 IHAB COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@H](O)C(=O)O)cc1 8700648 IFDXMBNAVMBYJI-GOTSBHOMSA-N 433.460 3.721 0 40 IHAB COc1ccc(CNC(=O)[C@@H](NC(=O)c2ccccc2Br)C(C)C)cc1OC 8768243 SSXNEDQNRDMPET-IBGZPJMESA-N 449.345 3.537 0 40 IHAB COC(=O)c1c(NC(=O)COc2ccc(Cl)cc2Cl)sc2c1CCN(C)C2 8793130 NKNZKHQYBMTBJF-UHFFFAOYSA-N 429.325 3.847 0 40 IHAB C[C@H](NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)c1ccc(-c2ccccc2)cc1 8890616 BDMKSAKDDQRWGD-XRHLQHRESA-N 439.515 3.924 0 40 IHAB COc1ccccc1CNc1nc(-c2cccnc2)nn1S(=O)(=O)c1ccc(C)cc1 9288948 FXFUUHXHYPLJMP-UHFFFAOYSA-N 435.509 3.506 0 40 IHAB NC(=O)C1CCN(CCOc2ccc3c(=O)c(-c4ccc(Cl)cc4)coc3c2)CC1 9410773 YPTFXLPTKHJVNK-UHFFFAOYSA-N 426.900 3.690 0 40 IHAB biogenic O=C(CCCSc1nnc(Cc2cccs2)n1-c1ccccc1)N1CCOCC1 9834242 BUXBBPWTURENLW-UHFFFAOYSA-N 428.583 3.651 0 40 IHAB Cc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 9974140 UNOIUMJKDNIVKN-OAHLLOKOSA-N 437.359 3.797 0 40 IHAB O=C(CSc1n[nH]c(=O)n1CCc1ccccc1)NC1c2ccccc2-c2ccccc21 10378193 GVCBNVXVQRFTAC-UHFFFAOYSA-N 442.544 3.792 0 40 IHAB COc1cc(OC)cc(C(=O)N2CCN(c3nccn3-c3cccc(Cl)c3)CC2)c1 11695708 RIAILATXZKTUHI-UHFFFAOYSA-N 426.904 3.505 0 40 IHAB COc1ccc(NC(=O)CSc2ccc(-c3ccc4c(c3)OCO4)nn2)c(OC)c1 12140492 XZNUAOQLSZZJJH-UHFFFAOYSA-N 425.466 3.620 0 40 IHAB CC[C@H](Oc1ccc(C)cc1)C(=O)NC[C@@H](C)NC(=O)[C@H](CC)Oc1ccc(C)cc1 12404088 WWIGNBPJZHTHOD-OIBXWCBGSA-N 426.557 3.939 0 40 IHAB CNC(=O)CSc1nc(-c2ccccc2)c(NC(=O)COc2ccccc2F)s1 12442940 NDDCSMUMCYDDLO-UHFFFAOYSA-N 431.514 3.805 0 40 IHAB COc1ccc(C(=O)C2CCN(C(=O)[C@@H](NC(=O)c3ccccc3C)C(C)C)CC2)cc1 12739246 YTJMZLQRNLHEPZ-QHCPKHFHSA-N 436.552 3.880 0 40 IHAB CCN(CC)CCCNC(=S)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1 12877480 FSKSDDYTVAGMMN-UHFFFAOYSA-N 435.638 3.678 0 40 IHAB Cc1ccc(OCc2nnc(S[C@H](C(=O)N3CCCC3)c3ccccc3)n2N)c(C)c1 13113364 MYJTZQRXPSWDDW-NRFANRHFSA-N 437.569 3.644 0 40 IHAB Cc1noc(C)c1COc1ccc(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)cc1 13117449 NXKRIVPWMGQIMI-DEOSSOPVSA-N 435.524 3.674 0 40 IHAB Cc1ccsc1CN(C)C(=O)CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O 13121043 XLSHXRJJSXZHFG-VWLOTQADSA-N 447.560 3.705 0 40 IHAB CCCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc21 15781397 AZJUBPANIMXXKL-UHFFFAOYSA-N 436.599 3.905 0 40 IHAB CSc1cccc(N2C[C@@H](C(=O)N3CCN(c4ccccc4Cl)CC3)CC2=O)c1 17118952 BJECVKLIMSAUGT-INIZCTEOSA-N 429.973 3.764 0 40 IHAB O=C(CSc1nnc(-c2ccc[nH]2)o1)N1CCN(Cc2cccc3ccccc23)CC1 18367787 WNGDCQDLCBCMLG-UHFFFAOYSA-N 433.537 3.654 0 40 IHAB Cc1cc(C)n2ncc(C(=O)N[C@H](Cc3cc(O)nc(C(C)C)n3)c3ccccc3)c2n1 19116559 KAMAETYXUILNIW-HXUWFJFHSA-N 430.512 3.679 0 40 IHAB O=C(CCC(=O)N1CCC(c2ccccc2)=N1)OCc1cc(Cl)c2c(c1)OCCCO2 19297519 HEHHJFUABSZDBD-UHFFFAOYSA-N 442.899 3.961 0 40 IHAB COc1ccccc1CC(=O)N1CCC[C@@H](c2nc3sc4c(c3c(=O)[nH]2)CCCC4)C1 19569564 JCUQYXWJXUUBKO-MRXNPFEDSA-N 437.565 3.821 0 40 IHAB CN(C)C(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)c2cccnc2N)CC1 19700309 CUVIPNPVKNKTJG-UHFFFAOYSA-N 442.563 3.884 0 40 IHAB C[C@@]1(C2CCN(CC(=O)N3CCCCC3)CC2)CCCCN(Cc2ccccc2)C1=O 19744112 FVRQJNKTULXFNO-SANMLTNESA-N 425.617 3.930 0 40 IHAB Cc1nc([C@H]2CCCN2C(=O)COc2ccccc2C(C)C)ncc1C(=O)N1CCCC1 19755944 CVHTTWVKCIZNMV-OAQYLSRUSA-N 436.556 3.887 0 40 IHAB CCc1cc(C(=O)N2CCC(c3ccc(C(=O)Nc4ccc(F)cc4)c(N)n3)CC2)on1 19765989 BFRWJHPPMZXCLM-UHFFFAOYSA-N 437.475 3.625 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)N[C@H](C)c1ccc(C)cc1 20111896 PYBONDVKYULXSK-GOSISDBHSA-N 430.570 3.915 0 40 IHAB COc1ccc(OC)c2sc(N(CCN3CCOCC3)C(=O)c3cccc(C)c3)nc12 20743818 FLRMXTQREMIWNW-UHFFFAOYSA-N 441.553 3.601 0 40 IHAB C[C@H](Sc1nnc(-c2ccccc2F)o1)C(=O)N1CCN(Cc2ccccc2)CC1 22056106 SYKNOVFCMLYLBP-INIZCTEOSA-N 426.517 3.701 0 40 IHAB O=C1C[C@@H](C(F)(F)F)N(C(=O)CSc2ncn(-c3ccccc3)n2)c2ccccc2N1 22286636 YONYXCOLVYMOMU-INIZCTEOSA-N 447.442 3.666 0 40 IHAB COc1ccc([C@H](CNC(=O)c2cc(C(C)C)nc3c2c(C)nn3C)N2CCCC2)cc1 22505298 PATIKANYTSWRAU-QFIPXVFZSA-N 435.572 3.976 0 40 IHAB CC[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 22515941 AYEFFSUYEUMURS-IBGZPJMESA-N 449.960 3.650 0 40 IHAB Cc1nc2sc([C@@H](c3ccccc3F)N3CCN(c4ccc(F)cc4)CC3)c(O)n2n1 22627229 XCVNCCLGDYWGEG-LJQANCHMSA-N 441.507 3.995 0 40 IHAB CCn1cccc(-c2nnc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)n2C)c1=O 23136384 UKOOAHAXVMJJAJ-UHFFFAOYSA-N 438.340 3.701 0 40 IHAB COc1ccc(OCCN2CCN(Cn3nc(-c4ccc(C)cc4)[nH]c3=S)CC2)cc1 23257794 YFOLDYQIACWRPX-UHFFFAOYSA-N 439.585 3.579 0 40 IHAB COC(=O)c1c(C)[nH]c(C(=O)OCc2csc(-c3cccc(OC)c3OC)n2)c1C 23635255 JFWPSSZEOUBIGA-UHFFFAOYSA-N 430.482 3.916 0 40 IHAB O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)Nc1ccc2c(c1)OC1(CCCC1)O2 24971584 JOAIXVPWXWSPAJ-UHFFFAOYSA-N 448.566 3.755 0 40 IHAB CSc1ccccc1NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1 30938163 VUCFXSYKZVJFNC-INIZCTEOSA-N 426.947 3.618 0 40 IHAB O=C(CSc1ccc2ccccc2c1)N1CCC(NS(=O)(=O)c2cccs2)CC1 30997947 IKTDSMKTFSHTJQ-UHFFFAOYSA-N 446.619 3.963 0 40 IHAB CSCC[C@H](NC(=O)c1ccco1)C(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 31127360 HHRUQQLPXYMTGL-RDJZCZTQSA-N 427.526 3.679 0 40 IHAB CC(=O)Nc1cccc(-n2cnnc2S[C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)c1 32778426 DCUQBVRNUYSINN-LBPRGKRZSA-N 440.554 3.994 0 40 IHAB COc1ccccc1-c1nc(Cn2nnc(C(=O)Nc3cc(C)cc(C)c3)c2N)c(C)o1 33291828 GBECKMFGAJOKCV-UHFFFAOYSA-N 432.484 3.750 0 40 IHAB CCOC(=O)C1CCN(C(=O)c2csc(Nc3ccc(OC(F)F)cc3)n2)CC1 36704664 WVKDOXIETDZLKF-UHFFFAOYSA-N 425.457 3.903 0 40 IHAB COc1cc(CN(C)C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)ccc1OC(F)F 36740959 CCNQHTPCSSZLFP-GOSISDBHSA-N 444.478 3.797 0 40 IHAB Cc1cccc(CCCNC(=O)C2CCN(S(=O)(=O)Cc3cccc(C)c3)CC2)c1 38752565 RAIFXLFEQVUQKR-UHFFFAOYSA-N 428.598 3.594 0 40 IHAB O=C(CCn1ccnc1)Nc1cccc(C(=O)NCCOc2ccc3ccccc3c2)c1 40158153 SRALJNUXFGSBPK-UHFFFAOYSA-N 428.492 3.874 0 40 IHAB Cc1ccc(-c2ccc(=O)n(CCC(=O)NCc3ccc(Br)cc3)n2)cc1 41254480 PFRHENWZBUKMKO-UHFFFAOYSA-N 426.314 3.688 0 40 IHAB O=c1c2sccc2n(Cc2nc(-c3ccc(F)cc3)no2)c(=O)n1Cc1ccccc1 48985902 IYRGHMORJQNKQE-UHFFFAOYSA-N 434.452 3.510 0 40 IHAB COCCCNC(=O)c1nnn(-c2cc(C(F)(F)F)ccc2Cl)c1-c1cccnc1 49003685 YAGMWKCWGILMLD-UHFFFAOYSA-N 439.825 3.768 0 40 IHAB CCN1CCc2nc(-c3ccc(F)cc3)n(CC(=O)Nc3cc(F)ccc3C)c(=O)c2C1 49400676 WHAAVARNJFOCSV-UHFFFAOYSA-N 438.478 3.514 0 40 IHAB Cc1ccc(Cn2c(=O)c3sccc3n(CC(=O)Nc3ccccc3C)c2=O)cc1C 57426988 YGKCWGKQQHQVNS-UHFFFAOYSA-N 433.533 3.837 0 40 IHAB O=C(COc1cc(Cl)ccc1Cl)NC[C@@H](O)COc1cccc(C(F)(F)F)c1 60065519 OROCFKZZZNPTNK-CYBMUJFWSA-N 438.229 3.947 0 40 IHAB COCc1nnc(NC(=O)CCCN2C(=O)c3ccccc3N[C@H]2c2ccccc2)s1 61720935 BVBIYYUNQSOYAR-HXUWFJFHSA-N 437.525 3.670 0 40 IHAB COc1cccc(CN[C@H]2CCN(c3ccc(C(=O)Nc4ccccc4)cn3)C2)c1OC 65257032 RHDUBIHVVGDQAC-NRFANRHFSA-N 432.524 3.720 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)CSc1nc2cc(C)[nH]c2c(=O)n1C(C)C 67235984 XMKRSDHZUWFEFY-UHFFFAOYSA-N 428.514 3.521 0 40 IHAB O=S(=O)(c1cccc(Cl)c1F)N1CCC2(CC1)C[C@H]2c1nc(-c2cccnc2)no1 71890443 IQIOUQOBXNDDNW-AWEZNQCLSA-N 448.907 3.883 0 40 IHAB CN(C[C@@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)c1ccn(-c2cccc(F)c2)n1 72310403 ZMMLTACASRVUST-QGZVFWFLSA-N 437.393 3.542 0 40 IHAB COCCc1ncc(CN2CCC[C@@H]2c2cc(Nc3ncc(C)s3)nc(C)n2)cn1 72361466 RQIGATSADGRZHC-GOSISDBHSA-N 425.562 3.610 0 40 IHAB Cn1cc(C(=O)N2CCCC[C@H]2c2nc(N)ncc2-c2cccc(C(F)(F)F)c2)cn1 72377194 UCBJVZCXECEXNB-KRWDZBQOSA-N 430.434 3.846 0 40 IHAB COc1ccc(CN2CCC(NC(=O)c3ccc(Nc4ncccn4)cc3)CC2)cc1OC 79479291 VPKVKFBOQHQYNX-UHFFFAOYSA-N 447.539 3.632 0 40 IHAB COC(=O)C1(NC(=O)c2ccc(Br)cc2C)CCN(Cc2ccccc2)CC1 95995437 LKTIYXOSALUUCT-UHFFFAOYSA-N 445.357 3.695 0 40 IHAB COCCN(C)c1nc(C2CCN(C(=O)c3ccoc3)CC2)cc2c1ncn2C(C)C 96100034 ASNDQHFYANDQKK-UHFFFAOYSA-N 425.533 3.708 0 40 IHAB O=C(C[C@@H]1CC2(CCN(C(=O)c3cccc(F)c3)CC2)c2ccccc21)N1CCOCC1 96242175 LTHZLFAARASMPZ-HXUWFJFHSA-N 436.527 3.736 0 40 IHAB O=S1(=O)c2ccccc2OCC2(CCN(Cc3ccccc3F)CC2)CN1CC1CC1 96263536 GJABZYWUNRGJEC-UHFFFAOYSA-N 444.572 3.901 0 40 IHAB CCCC(=O)N1CCc2nc3cc(C4CCN(C5CCCCC5)CC4)nn3c(O)c2C1 100243043 ISPFXUKTAXZOPW-UHFFFAOYSA-N 425.577 3.632 0 40 IHAB Cn1c(CNC(=O)/C=C/c2ccccc2Cl)nnc1SCCOc1ccccc1 109034337 PHXWEJMRXXJCQK-VAWYXSNFSA-N 428.945 3.969 0 40 IHAB Cc1ccc(N([C@H](C)C(=O)NCc2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1Cl 220370859 ZIVDWLYNONCYFG-MRXNPFEDSA-N 438.977 3.907 0 40 IHAB CCOc1ccc(CCC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NC)cc1OCC 222480939 FKFWONDAWPLESG-LJQANCHMSA-N 426.557 3.888 0 40 IHAB CCOc1ccc([C@H](C)NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CC)cc1OCC 222892686 BHGQOURTAWHEFH-INIZCTEOSA-N 446.569 3.823 0 40 IHAB C[C@H](NS(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1)c1ccc(F)cc1 223225667 OJTUMEITEKBFKH-JTQLQIEISA-N 440.909 3.622 0 40 IHAB O=C(O)c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)cc1 223319870 XVXOXQSUVIXLPC-BWAGFHJFSA-N 448.548 3.722 0 40 IHAB CS(=O)(=O)N(CC(=O)NCC1=CCCCC1)c1ccc(OCc2ccccc2)cc1 223883494 WLPJHLHCISAOLF-UHFFFAOYSA-N 428.554 3.648 0 40 IHAB COCCCNC(=S)Nc1nc(N2CCCCCC2)cc(N2C[C@@H](C)C[C@@H](C)C2)n1 225901531 XBSIHBRPQGFXAG-HDICACEKSA-N 434.654 3.662 0 40 IHAB CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@@H]2c3ccccc3C=NN12 229602914 MVBFBZGUDXDXJB-YRPNKDGESA-N 435.911 3.834 0 40 IHAB Cc1cc(C(=O)N2CCC[C@](COc3ccc(F)cc3)(CC(=O)N3CCCCC3)C2)no1 257255681 KILXZSHZHBVJIW-DEOSSOPVSA-N 443.519 3.826 0 40 IHAB COCCNC(=O)c1sc2nccnc2c1[C@@H]1CCCN(Cc2cccc(F)c2)C1 257331240 XRYCGJSBUDLIPV-MRXNPFEDSA-N 428.533 3.586 0 40 IHAB C[C@H](NC(=S)Nc1nc(N2CCOCC2)cc(N2CCCC[C@H]2C)n1)c1ccccc1 260720599 SOBSGYJXLDWPBD-MSOLQXFVSA-N 440.617 3.740 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](C)c3ccc4c(c3)CCC4)C2)cc1 260937223 PRGMSIBJTGESPW-GCJKJVERSA-N 426.582 3.762 0 40 IHAB Cc1ccsc1CN1C[C@@H](c2cccnc2)[C@]2(C1)OCCN(Cc1ccsc1)C2=O 306128626 HGHWWYJQVDDHLF-REWPJTCUSA-N 439.606 3.910 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)N[C@@H](C)c2ccccc2)C1 408555317 AHJZEWFUPPJFEN-RDJZCZTQSA-N 436.961 3.627 0 40 IHAB Cc1c(C)c(C)c([C@H]2c3c(n(C)c(=O)n(C)c3=O)N=C3c4ccccc4C(=O)[C@@H]32)c(C)c1C 408733573 KSVRWROEKTUIMB-NHCUHLMSSA-N 441.531 3.705 0 40 IHAB Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2CCc3ccccc3C2)cc1 409004047 NSICSGUJHPXYRP-UHFFFAOYSA-N 448.588 3.813 0 40 IHAB COc1ccccc1N(CC(=O)NCc1ccccc1Cl)S(=O)(=O)c1ccccc1 409128816 KYWAKPKGNHNQHU-UHFFFAOYSA-N 444.940 3.860 0 40 IHAB CCCOc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc(Cl)c3)CC2=O)cc1 409157945 QSUYHCMKMQKKFY-HNNXBMFYSA-N 430.888 3.664 0 40 IHAB O=C(NCCc1ccc(OCCN2CCCC2)cc1)NC[C@H]1CCN(c2ccccc2)C1 538094602 ZMHBQJJFQCBUKA-HSZRJFAPSA-N 436.600 3.529 0 40 IHAB COc1ccc(OC)c(-c2cc(C(=O)N3CC[C@H](n4c(C)nc5ccccc54)C3)n[nH]2)c1 575614964 AQPAVFDJWXFIEQ-INIZCTEOSA-N 431.496 3.839 0 40 IHAB Cn1cc(CC(=O)N2CC[C@H](c3ccccc3Cl)S(=O)(=O)CC2)c2ccccc21 575617661 QGJUQPHHAPRDST-OAQYLSRUSA-N 430.957 3.763 0 40 IHAB Cn1cc(CN2CCC(N3C(=O)NCCc4ccccc4[C@@H]3c3ccccc3)CC2)cn1 1615530222 SSYVZVCTLIIIJG-VWLOTQADSA-N 429.568 3.742 0 40 IHAB COc1cc(C(=O)Nc2cc(-c3nn4c(C)nnc4s3)ccc2C)cc(OC)c1OC 812121 OHHMXXPJJHXWKK-UHFFFAOYSA-N 439.497 3.748 0 40 IHAB COc1ccc(Cl)cc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 867173 FIQDCVJZIJRGRI-IBGZPJMESA-N 431.876 3.632 0 40 IHAB CSCC[C@H](NC(=O)Cc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O)C(=O)O 2096613 MSRLZDNZQBUPDZ-KRWDZBQOSA-N 431.510 3.638 0 40 IHAB biogenic C[C@@H](OC(=O)CCc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1nc(-c2ccccc2)cs1 2648974 RNEBXDUHTMRSMS-CQSZACIVSA-N 448.504 3.550 0 40 IHAB C[C@@H](Sc1nnc(Nc2ccccc2F)s1)C(=O)NCc1ccc2c(c1)OCO2 3357386 SPTXSBRNLOHYBL-LLVKDONJSA-N 432.502 3.947 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2CC=C(c3ccccc3)CC2)cc1 8345736 JIHYOVXCLNMGEG-UHFFFAOYSA-N 426.582 3.966 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CSc2nnc(Cc3ccc(OC)cc3)o2)cc1 8442038 WSKCQOGKSRSHBB-UHFFFAOYSA-N 427.482 3.577 0 40 IHAB CCc1ccccc1NC(=O)CNC(=O)c1ccc(OCc2cn3ccccc3n2)cc1 8862235 FAKYWHKDKLZWMP-UHFFFAOYSA-N 428.492 3.844 0 40 IHAB COC(=O)c1cccc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3)n2C)c1 8934818 RVWSCHCIKKCXGK-UHFFFAOYSA-N 446.916 3.565 0 40 IHAB COC[C@H](C)NC(=O)CCSc1nc(-c2ccc(OC)cc2)cc(C(F)(F)F)n1 8964363 OQJSDMAKSROOPT-LBPRGKRZSA-N 429.464 3.804 0 40 IHAB O=C(NCCc1c[nH]c2ccccc12)/C(=C\c1cccnc1)NC(=O)c1ccccc1F 9075700 QSYOBXFSZWXOJR-OEAKJJBVSA-N 428.467 3.832 0 40 IHAB COc1cccc(-c2nnc(S[C@H](C(=O)NC(N)=O)C(C)C)n2-c2ccc(C)cc2)c1 9126220 DYAPBGQRFOMFMJ-SFHVURJKSA-N 439.541 3.563 0 40 IHAB COc1cc([C@H]2CC(=O)Nc3nc(C)[nH]c(=O)c32)ccc1OCc1ccccc1Cl 9130046 RDCSGMGRKSGSSN-OAHLLOKOSA-N 425.872 3.793 0 40 IHAB Cn1c(SCC(=O)N2CC(=O)Nc3ccccc32)nnc1-c1ccc(C(C)(C)C)cc1 9168359 IBGGWFNVOCKVMX-UHFFFAOYSA-N 435.553 3.857 0 40 IHAB CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1nn2cc(-c3ccccc3)nc2s1 9219611 LDGRIYBHEKMKNF-FQEVSTJZSA-N 433.537 3.780 0 40 IHAB CCn1c(CN2CCc3ccccc3C2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 9349205 SAMVXMBJECSQJR-UHFFFAOYSA-N 438.597 3.789 0 40 IHAB COc1ccc(-c2cc3ncn(CC(=O)N[C@@H]4CCOc5ccccc54)c(=O)c3s2)cc1 9465781 VEKXPENCDQKCEX-GOSISDBHSA-N 447.516 3.774 0 40 IHAB C[C@H](NC(=O)CCCCCN1C(=O)c2ccccc2C1=O)c1nc(-c2ccccc2)no1 10537211 UREWNBRIJHWNKL-INIZCTEOSA-N 432.480 3.770 0 40 IHAB COc1cc(OC)cc(C(=O)OCC(=O)Nc2ccc(Br)cc2Cl)c1 10787381 WHXOOUSMOIEBKZ-UHFFFAOYSA-N 428.666 3.915 0 40 IHAB O=C(NCC(=O)N1CC=C(c2c[nH]c3ccccc23)CC1)c1ccccc1Br 11073485 OOTOOCDRPAWFHV-UHFFFAOYSA-N 438.325 3.976 0 40 IHAB Cc1ccc(C(=O)N[C@H](Cc2ccccc2)c2nn(CC(C)C)c3ncccc23)c(=O)[nH]1 12236331 NLFYLXOISQEQHX-OAQYLSRUSA-N 429.524 3.798 0 40 IHAB Cc1cc(C)cc(NC(=O)CSc2nnc(CN3C[C@@H](c4ccccc4)CC3=O)n2C)c1 12445737 JGSOEXPEKWNXQT-IBGZPJMESA-N 449.580 3.679 0 40 IHAB O=C(NCc1ccc(N2CCCC2=O)cc1)c1nn(-c2ccc(F)cc2)c2c1CCCC2 12825342 WHKBVIFSLWJOKJ-UHFFFAOYSA-N 432.499 3.947 0 40 IHAB O=C(Nc1nc2c(s1)CCCCC2)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 12829151 JRUSIUZICURKEU-AWEZNQCLSA-N 437.562 3.591 0 40 IHAB COc1ccc2c(C)c(CCC(=O)O[C@H](C)C(=O)N3CCc4ccccc43)c(=O)oc2c1 12835172 VIRNMFILTFANIY-MRXNPFEDSA-N 435.476 3.564 0 40 IHAB CCC(C)(C)NC(=O)[C@@H](c1ccc(C)cc1)N(C[C@@H]1CCCO1)C(=O)c1csnn1 12874365 HAXKFRIFUGAYKV-PKOBYXMFSA-N 430.574 3.514 0 40 IHAB C[C@H](c1ccccc1)N1C[C@H](C(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)CC1=O 12919624 PFGIPDIFLFBUNW-UKRRQHHQSA-N 434.323 3.658 0 40 IHAB C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)OCC(=O)Nc2cccc(F)c2)cc1 13042094 RYTBLXMMGSNEBY-CALCHBBNSA-N 442.487 3.790 0 40 IHAB O=C(CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2)Nc1ccc2ccccc2c1 13069852 CVRXBWKABVAHDQ-UHFFFAOYSA-N 440.521 3.698 0 40 IHAB COC(=O)c1cccc(NC(=O)CSc2nc3cccnc3n2Cc2ccccc2)c1 13512763 HDMWOIUGXZCKAZ-UHFFFAOYSA-N 432.505 3.997 0 40 IHAB CC[C@@H](C(=O)Nc1ccc(OC)cc1OC)N(c1cccc(Cl)c1)S(C)(=O)=O 13712043 DYKVYKSDHWPAGQ-KRWDZBQOSA-N 426.922 3.541 0 40 IHAB C[C@@H]1CCc2c(sc3nc(CN4CCOCC4)nc(NCCCOCC4CC4)c23)C1 14076430 DLQGQKIUYMMUID-MRXNPFEDSA-N 430.618 3.877 0 40 IHAB O=C1Nc2ccccc2S[C@H]1CC(=O)N1CCN(Cc2cccc3ccccc23)CC1 14245834 VJJHIFMOTDBWOI-QHCPKHFHSA-N 431.561 3.987 0 40 IHAB COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)c(OC)c1 15653950 WDLRWYYFQAYRFI-UHFFFAOYSA-N 446.569 3.668 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(Cl)cc1Cl 16188298 LWJPHDUDZQBACG-UHFFFAOYSA-N 437.732 3.915 0 40 IHAB COc1ccc(OC)c(NC(=O)Cn2nc(-c3ccccc3)n(-n3cccc3)c2=S)c1 16807042 YDXNSEVIVSXLLY-UHFFFAOYSA-N 435.509 3.850 0 40 IHAB COc1ccc(OC)c([C@@H]2S[C@@H](C)C(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)c1 17197819 YJRHKCGDMIEMAF-WNSKOXEYSA-N 439.537 3.669 0 40 IHAB Cc1ccnn1CCC(=O)N1CCC[C@](Cc2ccc(-c3ccccc3)cc2)(C(N)=O)C1 19238422 UNKVFVANAUNJIJ-AREMUKBSSA-N 430.552 3.585 0 40 IHAB O=C(c1cccnc1)N1CCC(O)(Cn2ncc3cc(Nc4ccccc4)ccc32)CC1 19373347 OFRUAAWFWHEIQC-UHFFFAOYSA-N 427.508 3.842 0 40 IHAB CC(C)N1CCc2nc3cc([C@@H]4CCCCN4C(=O)CCc4ccccc4)nn3c(O)c2C1 19448049 QEMWLMDZZUFTEO-QHCPKHFHSA-N 447.583 3.888 0 40 IHAB C[C@@H](C(=O)N1CCC[C@H]2CN(C(=O)CCN3CCc4ccccc43)C[C@H]21)c1ccccc1 19459314 INAPWAIKYRQTGM-JHMXWDHMSA-N 431.580 3.692 0 40 IHAB COc1ccc(C2(C(=O)N3CCC4(CC3)NC(=O)c3cc(Cl)ccc3N4)CC2)cc1 19553622 QULUAGOQOZDBBO-UHFFFAOYSA-N 425.916 3.554 0 40 IHAB O=S(=O)(C1CCCC1)N1CCO[C@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 19693346 JGFNSOUBRLXEKB-KRWDZBQOSA-N 441.475 3.808 0 40 IHAB COCc1ccc(C(=O)N2CCO[C@H](c3c(C(=O)N(C)C)sc4ccccc34)C2)cc1 19697784 NWZXTLXGDUPUPH-IBGZPJMESA-N 438.549 3.963 0 40 IHAB Cc1nc([C@H]2CCCN2C(=O)Cc2c[nH]c3ccccc23)nc2c1CC(=O)N2CC(C)C 19739824 VRRBLCTVLJUTCA-OAQYLSRUSA-N 431.540 3.718 0 40 IHAB Cc1nc([C@@H]2CCCN2Cc2cnn(C)c2C)nc2c1CCC(=O)N2CCc1ccccc1 19740680 GKBMRXZHMCKTPL-QHCPKHFHSA-N 444.583 3.686 0 40 IHAB COCc1ccc(C(=O)N2CCCC[C@H]2c2nc(C)c3c(n2)N(C2CC2)C(=O)CC3)cc1 19740860 IORJLRHYLZNDFC-NRFANRHFSA-N 434.540 3.740 0 40 IHAB Cc1nc([C@H]2CCCN(Cc3ncc[nH]3)C2)nc2c1CCC(=O)N2CCCc1ccccc1 19741667 WQOWLXHNACFXJJ-NRFANRHFSA-N 444.583 3.800 0 40 IHAB COc1cccc(OC)c1CN1CCC(Cc2ncncc2C(=O)NC2CCCC2)CC1 19757030 ZATFEJDLKKZLTP-UHFFFAOYSA-N 438.572 3.621 0 40 IHAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)COc1cc(C)c(Cl)c(C)c1 20042075 JQVSLTIXTMINBP-UHFFFAOYSA-N 440.949 3.670 0 40 IHAB O=C(NCc1ccc(Cl)cc1)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 20106933 GMKFLUXUEKGAJS-FQEVSTJZSA-N 434.989 3.631 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(F)cc2)c2ccccc2)cc1 20491541 QLRPHCUJMLWQOW-QGZVFWFLSA-N 442.512 3.907 0 40 IHAB COc1ccc(C[C@@H](NC(=O)c2ccc(N3CCOCC3)nc2)c2ccc(OC)cc2)cc1 22099251 OONRMBZHZQNVCD-XMMPIXPASA-N 447.535 3.649 0 40 IHAB Cc1ccc2c(c1)C(=O)N(CCCC(=O)OCc1cc(Cl)c3c(c1)OCCO3)C2=O 22586824 MCULHCTXMXJURK-UHFFFAOYSA-N 429.856 3.539 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2ccc(C(F)(F)F)cc2)s1 26569933 HOCMJGUOACBKKV-HNNXBMFYSA-N 432.489 3.545 0 40 IHAB CCCS(=O)(=O)c1ncc(Br)c(-c2nnc(-c3ccccc3Cl)o2)n1 28287726 XWNQGXBMPCGSJV-UHFFFAOYSA-N 443.710 3.793 0 40 IHAB CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)CSc2nccn2C)nc1C 28465470 USMKMHMBUPDSHZ-UHFFFAOYSA-N 430.555 3.687 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 31176217 XFYLTJFLZHQRQZ-UHFFFAOYSA-N 427.508 3.954 0 40 IHAB CCc1nnsc1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 31497087 WTGGBBMUQLBUAY-UHFFFAOYSA-N 428.508 3.926 0 40 IHAB COc1cc(N2C[C@@H](C(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)cc(OC)c1OC 32796234 AUNFKJIELZPDKT-LBPRGKRZSA-N 438.402 3.723 0 40 IHAB CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=S)NC(=O)c2ccc(C)cc2)CC1 34689432 TZBOABYUFWAZMM-UHFFFAOYSA-N 444.988 3.834 0 40 IHAB COc1ccc([C@@H]2[C@@H](C(=O)N=c3[nH]c4ccccc4[nH]3)c3ccccc3C(=O)N2C)cc1 36366580 XENPMCDZVARYLL-FCHUYYIVSA-N 426.476 3.543 0 40 IHAB COC(=O)CN(Cc1ccccc1Cl)Cn1ncn(-c2ccccc2OC)c1=S 40158190 CLVMNSRGKNMYEO-UHFFFAOYSA-N 432.933 3.698 0 40 IHAB O=C(NCc1ccc(N2CCCCCC2)nc1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 48249338 IXUUHYBKCBTMPP-OAQYLSRUSA-N 438.547 3.770 0 40 IHAB O=C(NCc1ccc(Br)cc1)[C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 57416490 KLHHACAQXSAPQI-GFCCVEGCSA-N 425.685 3.911 0 40 IHAB CC(C)N1C(=O)c2ccc(C(=O)N(CCc3ccccc3)C3CCCC3)cc2S1(=O)=O 58297953 OLGRVFGCQVEORL-UHFFFAOYSA-N 440.565 3.867 0 40 IHAB COC(=O)c1ccccc1NC(=O)CSc1nnc(COc2cccc(C)c2C)n1C 59176321 FWRBSMIJCLGTKP-UHFFFAOYSA-N 440.525 3.528 0 40 IHAB Cc1noc(C)c1CCC(=O)N1CCC[C@H](c2n[nH]cc2C(=O)N(C)Cc2ccccc2)C1 72344809 HWFMVDYFMTXQMP-FQEVSTJZSA-N 449.555 3.626 0 40 IHAB COCCNC(=O)c1sc2ccccc2c1C[C@H]1CCCCCN1Cc1ncc[nH]1 72370654 PHSZSYXJCMMUMM-QGZVFWFLSA-N 426.586 3.988 0 40 IHAB O=C(Cc1ccccn1)N1CCC[C@@H]1c1ccnc(Nc2cc(C(F)(F)F)ccn2)n1 72377899 YDHXLSQAYDPRSO-QGZVFWFLSA-N 428.418 3.935 0 40 IHAB COc1ccccc1Cn1ncc2c1CCC[C@@H]2NC(=O)c1cccc(N2CCCC2=O)c1 72397000 KSCWJLGZSWALSS-QFIPXVFZSA-N 444.535 3.874 0 40 IHAB COc1ccccc1CNC(=O)c1cc(-c2cnc(N3CCCC3)nc2)cn1CC1CC1 96037678 RHEIFAGLQZMIHD-UHFFFAOYSA-N 431.540 3.894 0 40 IHAB COC(=O)C[C@H](c1ccc(OC(F)(F)F)cc1)c1c(O)nc2ccc(Cl)cn2c1=O 96117131 GKOZFRJGNWPDES-CYBMUJFWSA-N 442.777 3.647 0 40 IHAB O=C(Nc1cccc(Cl)c1)C1=NO[C@]2(CCCN(C(=O)NCc3ccccc3)C2)C1 96225407 SRSYLQNXCJBWNS-JOCHJYFZSA-N 426.904 3.799 0 40 IHAB CN(C)C1CCN(C(=O)c2cnc(-c3noc4cc(NCC5CC5)ccc34)s2)CC1 96266609 CAZZVEAERHDSOV-UHFFFAOYSA-N 425.558 3.939 0 40 IHAB CCCC[C@](C)(O)[C@H]1C[C@@]23C=C[C@]1(OC)[C@@]1(C)Oc4c(O)ccc5c4[C@@]12CCN(C)[C@@H]3C5 96316375 NODDVOPQRZIFJX-MTWWXGLVSA-N 439.596 3.944 0 40 IHAB biogenic,in-vitro CCCC(=O)N1CCc2nc3cc(C4CCN(CC5CCCCC5)CC4)nn3c(O)c2C1 100232724 CBAWSHYRXZEOIX-UHFFFAOYSA-N 439.604 3.879 0 40 IHAB COc1cc(Br)cc2c1O[C@@]1(C)C[C@H]2NC(=O)N1c1ccc2c(c1)OCCO2 101353028 NRUYKHYXGLUXEZ-VLIAUNLRSA-N 447.285 3.999 0 40 IHAB CC[C@@H](NC(=O)COC(=O)C1C[C@@H]2CCC[C@@H](C1)C2=O)c1ccc(Br)cc1 101851893 UQQHUTPMDSWYPT-RLFYNMQTSA-N 436.346 3.955 0 40 IHAB C[C@H](C1CC1)n1[nH]cc/c1=N\C(=O)COc1c(Br)cccc1Br 101985415 SOUHREYBVACSKN-AGYNKUJHSA-N 443.139 3.819 0 40 IHAB Cc1ccc(C)c(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1 102086435 HONXHCHJQHOCID-OMIGAHOISA-N 440.543 3.906 0 40 IHAB CN(C)C1CCN(C(C)(C)CN[C@@H]2CCC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 108149018 LUARBAQIHHIECJ-BDTNDASRSA-N 436.685 3.949 0 40 IHAB CCCCNC(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(SC)cc1 113933467 FFACODJDEAMXNJ-UHFFFAOYSA-N 436.599 3.919 0 40 IHAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H](C)N(c1cccc(C)c1)S(C)(=O)=O 220150580 OSSIYDFCKWDVGM-OXJNMPFZSA-N 446.569 3.577 0 40 IHAB C[C@H](NS(=O)(=O)c1ccc(OCC(=O)N(C)c2ccc(F)cc2)cc1)c1ccccc1 222646369 VRUPULDRTJROBM-KRWDZBQOSA-N 442.512 3.907 0 40 IHAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCCOC2CCCC2)cc1 222814549 WGOSNOWFPMLIFB-PGMHBOJBSA-N 428.554 3.993 0 40 IHAB Cc1ccc(OC[C@@H](C)NC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)cc1C 223558305 WHNJJTDULDAFFR-GOSISDBHSA-N 436.549 3.572 0 40 IHAB CCOc1cccc(CNC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)c1 223966954 OTQUSNPVSANVII-UHFFFAOYSA-N 428.485 3.955 0 40 IHAB Cc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)C[C@@H](C(=O)NCC1CCCCC1)O2 224494492 VKEDQPDXLILJKN-QFIPXVFZSA-N 428.554 3.648 0 40 IHAB O=C(Nc1nnc(S(=O)(=O)NCc2ccccc2Cl)s1)c1ccc(Cl)cc1 225865947 OXDGGFBUHNNRJZ-UHFFFAOYSA-N 443.337 3.576 0 40 IHAB COc1ccc(C2(C(=O)N3CC[C@](O)(CN(C)Cc4ccc(F)cc4)C3)CCCC2)cc1 257264397 LUEDHGXBTTUZQQ-VWLOTQADSA-N 440.559 3.742 0 40 IHAB CCOc1ccc(N([C@@H](CC)C(=O)N[C@H](CC)c2ccc(OC)cc2)S(C)(=O)=O)cc1 260588094 FXATXCSYNGIEAO-YADHBBJMSA-N 448.585 3.906 0 40 IHAB Cc1cccc(C)c1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 409136000 XIQIVDOKJFMPIH-HNNXBMFYSA-N 445.313 3.601 0 40 IHAB COc1ccc(Br)cc1/C=C1/SC(=O)N(CC(=O)OCC(C)C)C1=O 409211730 OCGJIACGKLBKPM-VGOFMYFVSA-N 428.304 3.693 0 40 IHAB C[C@H](NC(=O)C[C@H](NC(N)=O)c1cccs1)c1nc2cc(Cl)c(Cl)cc2[nH]1 1641158664 UOHBDHDWTSMTAB-SDBXPKJASA-N 426.329 3.908 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)c1ccc(Cl)c(Cl)c1 815557 LWZQBINVVDQYMM-AWEZNQCLSA-N 429.325 3.703 0 40 IHAB COc1ccc(-c2nn3c(-c4cc(OC)c(OC)c(OC)c4)nnc3s2)cc1OC 2394465 NJECOFXXBZMHAL-UHFFFAOYSA-N 428.470 3.563 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2C)cc1 2646981 OZRYBDNRTKCPAJ-UHFFFAOYSA-N 425.514 3.565 0 40 IHAB CCOC(=O)c1sc2nc(C)nc(SCc3cc(=O)n4ccsc4n3)c2c1C 3420972 GEZYDSFAKOSTLQ-UHFFFAOYSA-N 432.552 3.847 0 40 IHAB COc1ccc(OC)c(/C=C/C(=O)OCC(=O)c2cc(C)n(C[C@@H]3CCCO3)c2C)c1 6280713 FZJIGBVYQJAHKC-OSICKASQSA-N 427.497 3.740 0 40 IHAB Cc1ccc(C)c2[nH]c(=O)c(CN(CCN(C)C)C(=S)NCCc3ccccc3)cc12 6321786 NOMWAMGVLDIMTB-UHFFFAOYSA-N 436.625 3.626 0 40 IHAB C[C@H](NC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)c1nnc2n1CCCCC2 8726161 FYQOCTMMYQWVIC-HRAATJIYSA-N 430.508 3.950 0 40 IHAB Cc1cccc(N(CC(=O)NCc2ccc(F)cc2)C(=O)CCC(=O)Nc2ccccn2)c1 8994733 XYOWIZKFMVXORJ-UHFFFAOYSA-N 448.498 3.597 0 40 IHAB Cc1cc(=O)n2c(n1)NC(N1CCN(c3cccc(Cl)c3)CC1)=N[C@@H]2[C@H]1CC=CCC1 9265063 MJMOEVWXINZNSO-UWJYYQICSA-N 438.963 3.664 0 40 IHAB NC(=O)C1CCN(CCOc2ccc(-c3n[nH]cc3-c3ccc(Cl)cc3)c(O)c2)CC1 9410511 WCEWFZNKROSTOP-UHFFFAOYSA-N 440.931 3.679 0 40 IHAB Cc1ccc(-c2csc(NC(=O)CSc3nnc(-c4cccs4)n3N)n2)cc1 9707795 ZZVGJLGHONBTAM-UHFFFAOYSA-N 428.568 3.883 0 40 IHAB COc1ccc(OCCCC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 9835140 QKMXMWBMVWJULU-UHFFFAOYSA-N 432.542 3.668 0 40 IHAB CCOc1cc([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)Nc3ncnn32)ccc1OC 9934746 CHFRSFALRIKPBP-OAQYLSRUSA-N 435.484 3.622 0 40 IHAB O=C([C@H]1COc2ccccc2O1)N(CCCn1ccnc1)c1nc2ccc(F)cc2s1 10381558 RDJPKFMESUKBLG-LJQANCHMSA-N 438.484 3.895 0 40 IHAB COC(=O)c1ccc2c(=O)n(CC(C)C)c(SCC(=O)N[C@H](C)CCC(C)C)nc2c1 10438067 CTOGQZHQFZNHRC-MRXNPFEDSA-N 447.601 3.872 0 40 IHAB CCOc1ccccc1N(CC(=O)N1CCC[C@H](C)C1)S(=O)(=O)c1ccc(C)cc1 10541253 CLAIQXZVJPPLDC-IBGZPJMESA-N 430.570 3.848 0 40 IHAB O=C(CSc1nncc(-c2ccccc2)n1)N1CCN(c2cccc(Cl)c2)CC1 11027335 KBMJZUABBYTXER-UHFFFAOYSA-N 425.945 3.633 0 40 IHAB CNC(=O)CSc1nc(-c2ccccc2)c(NC(=O)c2cc(OC)cc(OC)c2)s1 12442925 UPQKSHMMZOOZRJ-UHFFFAOYSA-N 443.550 3.918 0 40 IHAB COc1cc(C(=O)N[C@@H](c2cccc(F)c2)c2nccn2C)cc(OC)c1Br 12507226 JCRBKPHAVUDJDL-SFHVURJKSA-N 448.292 3.858 0 40 IHAB C[C@H](NC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)[C@@H]1CCCO1 12521277 VLWSNLHDWWXUCK-UGSOOPFHSA-N 442.459 3.804 0 40 IHAB CCOc1ncccc1C(=O)Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCCC2 12796647 FXBRHGBRTKQKGF-AWEZNQCLSA-N 429.542 3.582 0 40 IHAB CCOc1ccc(-c2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cs2)cc1 12814599 DLUUYHQZOLSBDU-UHFFFAOYSA-N 430.551 3.897 0 40 IHAB Cc1ccc(C)c(NC(=O)[C@@H]2[C@H]3C=C[C@]4(CN(CCc5c[nH]c6ccccc56)C(=O)[C@H]24)O3)c1 12896364 SAAFBYYGEPQXBF-CHQSNSNVSA-N 441.531 3.748 0 40 IHAB CCOC(=O)c1c(NC(=O)CN2CCN(c3ccccc3Cl)CC2)sc2c1CCC2 13056400 VYZOGCJZFWBGDT-UHFFFAOYSA-N 447.988 3.828 0 40 IHAB O=C(c1ccccc1Cl)N1CCC[C@@H](c2nc(O)c3nnn(Cc4ccccc4)c3n2)C1 13116833 VMXIQMJTYJOAHB-MRXNPFEDSA-N 448.914 3.648 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(CN2CCCCC2)cc1 13678253 ADOAWRDZCRCAQK-UHFFFAOYSA-N 427.570 3.709 0 40 IHAB C[C@@H](O)CN(C[C@@H](C)O)c1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCC3 13778690 MAQSNTSHXVZYDY-HUUCEWRRSA-N 434.565 3.963 0 40 IHAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)N[C@H](C)c3ccccc3)Oc3ccccc32)cc1 13845185 DUBOTSJVRWTKIM-WZONZLPQSA-N 436.533 3.829 0 40 IHAB Cc1nnc2sc(-c3ccc(CNC(=S)NC(=O)c4cccc(Cl)c4)cc3)nn12 14269132 QRGJDOUQRNGBRI-UHFFFAOYSA-N 442.957 3.619 0 40 IHAB Cc1c(-c2nc(-c3ccc4c(c3)OCO4)no2)nnn1-c1ccc(Br)cc1 15731607 HBVXXPPHLLEXQL-UHFFFAOYSA-N 426.230 3.784 0 40 IHAB C[C@@H]1Oc2ccccc2N(CCC(=O)OCc2cc(=O)oc3cc4c(cc23)CCC4)C1=O 16192603 TXJAILOAEWHQBY-HNNXBMFYSA-N 433.460 3.529 0 40 IHAB COc1ccc(-c2nc(C3CCN(C(=O)Cc4ccc(C)c(C)c4)CC3)[nH]c2C(N)=O)cc1 19697005 VAHIKTHRSURQKZ-UHFFFAOYSA-N 446.551 3.750 0 40 IHAB CN(C)C(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)c2cnn(C)c2)CC1 19700239 OHFKPEOPRKVCGF-UHFFFAOYSA-N 430.552 3.640 0 40 IHAB COc1c(C)cccc1CN1CC[C@H](c2c(C(=O)N(C)CCO)sc3ncccc23)C1 19702609 ABQNFVBNXQWZJZ-KRWDZBQOSA-N 439.581 3.667 0 40 IHAB Cc1cccc(C)c1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 20007750 CSYJVZUFIBLCOY-NRFANRHFSA-N 426.513 3.971 0 40 IHAB COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(F)cc2)cc1C 20008745 UFZFQOSQRKSSMO-OAQYLSRUSA-N 442.512 3.671 0 40 IHAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 22331391 VUINKOKNKSRTRA-SFHVURJKSA-N 436.961 3.833 0 40 IHAB CCN(CC)[C@@H](CNC(=O)CNC(=O)c1ccc2ccccc2c1)c1cccc(OC)c1 22700669 CEAPOQSKSINANA-DEOSSOPVSA-N 433.552 3.778 0 40 IHAB O=C(Nc1ccc(F)c(F)c1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 24608621 FPWNLTQJGJFSBM-UHFFFAOYSA-N 428.888 3.799 0 40 IHAB COc1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 24613566 HKRCNVBEROPNPA-UHFFFAOYSA-N 440.924 3.668 0 40 IHAB COc1c(C)cnc(CN2CCN([C@H](C(=O)O)c3c[nH]c4ccc(Cl)cc34)CC2)c1C 31811239 LYPVDEGEULKGHD-NRFANRHFSA-N 442.947 3.785 0 40 IHAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NCCCn1ccc2ccccc21 32819427 XFOZARUVPSFMFX-UHFFFAOYSA-N 444.461 3.854 0 40 IHAB O=C(CNC(=O)NCc1ccccc1)NC[C@H]1CC2c3ccccc3C1c1ccccc12 32843383 XEMQBXICFLWEBT-DJOCHQMASA-N 425.532 3.899 0 40 IHAB Cc1ccc(-n2cnnc2SCC(=O)NCCn2c(C)nc3ccccc32)cc1Cl 32909765 ZYVGJJOTLOLACM-UHFFFAOYSA-N 440.960 3.796 0 40 IHAB Cc1nn(CC(C)C)c2sc(C(=O)O[C@@H](C)C(=O)NC(=O)NC3CCCCC3)cc12 32945393 BXBYJVYFIMJFKZ-AWEZNQCLSA-N 434.562 3.766 0 40 IHAB O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)N[C@@H]1CCN(Cc2ccccc2)C1 32986393 IGSHQESBBUHXRH-GOSISDBHSA-N 428.945 3.873 0 40 IHAB Cc1ccc(-c2noc(Cn3c(=O)n(Cc4ccco4)c(=O)c4ccccc43)n2)cc1C 38486494 YWIPOSRDSOQOHD-UHFFFAOYSA-N 428.448 3.520 0 40 IHAB O=C(c1ccccc1C(F)(F)F)N1CCN(C(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCO3)CC1 42382478 MHLPWUCOKUFLRA-IRXDYDNUSA-N 446.425 3.522 0 40 IHAB CCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3cc(OC)cc(OC)c3)c2c1=O 48989483 DWPRFPZBBQXSIB-UHFFFAOYSA-N 432.480 3.541 0 40 IHAB CC(C)c1nnc2c(=O)n(CC(=O)Nc3ccccc3C(F)(F)F)c3ccccc3n12 57522573 OBMVARYJRNOXFX-UHFFFAOYSA-N 429.402 3.825 0 40 IHAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3ccccc3)Oc3cc(C)ccc32)cc1 64985951 RIJMSPAJBFBFRN-QHCPKHFHSA-N 436.533 3.576 0 40 IHAB C[C@@H](NC(=O)N1CCN(c2ccc(Cl)cc2)CC1)C(=O)Nc1ccc2cc[nH]c2c1 71328984 XSLZLTWIXWVWDU-OAHLLOKOSA-N 425.920 3.680 0 40 IHAB COc1ccc2c(c1)N[C@@]1(COC3(CCN(Cc4cn(C)nc4C)CC3)C1)c1cccn1-2 72327215 QUAGNVVIBFBGIR-VWLOTQADSA-N 433.556 3.604 0 40 IHAB CC(C)n1nc(CC(=O)NC2(c3ccc4c(c3)OCO4)CCCC2)c2ccccc2c1=O 72346545 IUFYXGIZIBYTRT-UHFFFAOYSA-N 433.508 3.834 0 40 IHAB COc1ccc(OCCc2cc([C@H]3CCN(C(=O)c4cn5ccc(C)cc5n4)C3)n[nH]2)cc1 72371681 VBEXGSSSTAAWRV-SFHVURJKSA-N 445.523 3.626 0 40 IHAB CC(C)Cn1ncc2cc(C(=O)N[C@H](C)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cnc21 95958251 BCRYTILPTLAKFG-IAGOWNOFSA-N 429.565 3.853 0 40 IHAB CCOCCCN1CC[C@H](NCC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)[C@H](C)C1 97164305 CCMPERODMHCLKH-GCJKJVERSA-N 448.007 3.943 0 40 IHAB O=C1[C@@H]2[C@H](C(=O)N1c1cccc(Cl)c1)[C@@H](c1ccc(Br)cc1)N1CCCN21 100812217 LTXBXKMAYZVNNP-KURKYZTESA-N 446.732 3.638 0 40 IHAB Cc1ccc2s/c(=N/C(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)n(C)c2c1C 100821310 VLBDZPAVARKGOY-GHVJWSGMSA-N 443.594 3.772 0 40 IHAB COc1ccc(-c2csc(NC(=O)COC(=O)C3C[C@H]4CCC[C@H](C3)C4=O)n2)cc1 101851917 XKOCGTJPUQTFOH-HUUCEWRRSA-N 428.510 3.696 0 40 IHAB Cc1cc(=O)oc2cc(OCC(=O)NC(=O)N[C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)c(Cl)cc12 106538371 UJZVHULESKUUKL-RZLSGREXSA-N 432.904 3.784 0 40 IHAB CCOc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2ccc(OCC)cc2)S(C)(=O)=O)cc1 216427411 NFIISCFEYWVQAX-DLBZAZTESA-N 434.558 3.516 0 40 IHAB CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3cccc4ccccc34)c2)CC1 220010244 UHLDZNFOSSGUIO-UHFFFAOYSA-N 443.956 3.682 0 40 IHAB CC[C@H](C(=O)Nc1cccc(C(=O)OC)c1C)N(c1cc(C)ccc1C)S(C)(=O)=O 220542928 NOBICCCLTFRVEM-LJQANCHMSA-N 432.542 3.582 0 40 IHAB CC[C@H](C(=O)Nc1cccc(C(=O)OC)c1)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O 220738405 RIYPOVWNHLKRGQ-GOSISDBHSA-N 438.933 3.618 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc4ccccc4c3)C2)cc1 222785112 NHNAIUXVTXULOC-OAQYLSRUSA-N 438.549 3.566 0 40 IHAB COc1ccc(CN(C(=O)Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC[C@@H]2CCCO2)cc1 222997681 WEIFEKBELHWITO-VGSWGCGISA-N 444.959 3.604 0 40 IHAB 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COc1ccc(Cl)cc1NC(=O)N1CCC[C@H](c2nn(C)c(=O)n2-c2ccccc2)C1 77100606 AHTDXZNKDFDEHJ-HNNXBMFYSA-N 441.919 3.645 0 40 IHAB CCOC(=O)c1cnn(-c2nc(OC)cc(OC)n2)c1Oc1ccc(Cl)cc1Cl 85422513 PXUPJUPRFDQMTK-UHFFFAOYSA-N 439.255 3.955 0 40 IHAB CN(C)CC1CCN(c2ccc(NC(=O)CCc3cc4ccccc4[nH]c3=O)cc2)CC1 95453449 PVJAHWBTXNXRGN-UHFFFAOYSA-N 432.568 3.877 0 40 IHAB COc1c(CNC(=O)c2ccc(COc3ccc(Br)cc3)o2)c(C)nn1C 96006952 HBLNXBHLBBWZFZ-UHFFFAOYSA-N 434.290 3.602 0 40 IHAB Cc1cc(NC(=O)c2ccccc2S(=O)(=O)N2CCCCC2)cnc1Br 96009007 BVQPAZUHARSMOY-UHFFFAOYSA-N 438.347 3.579 0 40 IHAB Cc1ccc(N2CCN(CC3CC3)C3(CCN(C(=O)Nc4ccccc4)CC3)C2=O)cn1 96230387 MPDMSKGZLXRBAA-UHFFFAOYSA-N 433.556 3.515 0 40 IHAB CCOC(=O)[C@@H]1[C@H]2NC(=S)N(CCCOC)[C@@]1(C)Oc1c(Cl)cc(Cl)cc12 100030081 CTVUBMOBBLAKKL-DEYYWGMASA-N 433.357 3.549 0 40 IHAB O=C(CN1CCN2CCOc3cccc1c32)N1N=C(c2cccs2)C[C@@H]1c1ccco1 108158750 AAERMEDTOMLHAI-GOSISDBHSA-N 434.521 3.738 0 40 IHAB CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@]5(CC[C@]4(C)[C@H]3C(=O)C[C@]12C)N[C@H](C(=O)O)CS5 118936373 PCUNKKKWXLSSHX-YGEWIGHMSA-N 433.614 3.899 0 40 IHAB COc1cc(OC)cc(C(=O)N2CCC(N3CCC(Oc4ccccc4F)CC3)CC2)c1 217372444 SPXIYMMFGWXBMO-UHFFFAOYSA-N 442.531 3.991 0 40 IHAB CC[C@H](C(=O)Nc1cc(C(=O)OC)ccc1C)N(c1cc(C)ccc1C)S(C)(=O)=O 220539715 XLHHIMNNWWFDAR-LJQANCHMSA-N 432.542 3.582 0 40 IHAB COc1ccc(N(C)C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4ccccc4c3)C2)cc1 222555192 XKQJJNWRHLNCAU-FQEVSTJZSA-N 438.549 3.912 0 40 IHAB CCc1ccc(OCC(=O)N(Cc2ccccc2)[C@H](CC)C(=O)NC)c(Br)c1 222952963 FPXDEIZKRZVXMU-LJQANCHMSA-N 447.373 3.944 0 40 IHAB CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1cc(C)cc(C)c1 223065617 HHZMUWXANNWAQC-QGZVFWFLSA-N 447.373 3.998 0 40 IHAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 224894880 WYCDYDWHDICTRW-QGZVFWFLSA-N 446.447 3.777 0 40 IHAB CC[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N(c1ccccc1F)S(C)(=O)=O 224972779 XTBUSJJPCBGSPB-FQEVSTJZSA-N 433.549 3.999 0 40 IHAB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(C)c2C)cc1 225211976 VTJRKWUVVVKDMA-DHIUTWEWSA-N 449.580 3.799 0 40 IHAB CCCn1c(=O)sc2cc(S(=O)(=O)NCCCc3ccccc3OCC)ccc21 225727639 IGWIUDYEELEYHH-UHFFFAOYSA-N 434.583 3.783 0 40 IHAB COc1ccc(N(CCCC(=O)NCCSC2CCCC2)S(C)(=O)=O)cc1Cl 225845776 UZTCBYZLGNTMQM-UHFFFAOYSA-N 449.038 3.687 0 40 IHAB COC(=O)C[C@H](c1ccc(O)cc1)c1c(O)cc(C)n(CCc2c[nH]c3ccccc23)c1=O 253411853 PEUYEDCSRIBREJ-OAQYLSRUSA-N 446.503 3.987 0 40 IHAB biogenic COc1ccc(-c2cc(-c3cccnc3)n(CCNC(=O)[C@H]3CC[C@H](OC)CC3)n2)cc1 257287657 PQZDRJISSWGWSI-XYWHTSSQSA-N 434.540 3.942 0 40 IHAB COc1ccc(C2(C(=O)N3CC[C@@]4(C3)CN(c3ccccc3)C(=O)CO4)CCCCC2)cc1 257312138 UMQFQVSHIMPNLN-AREMUKBSSA-N 448.563 3.932 0 40 IHAB CN(C)C(=O)C1(Cc2cccc(-c3ccncc3)c2)CCN(C(=O)c2ccncc2)CC1 257329832 XLSOQKGPCYUZEZ-UHFFFAOYSA-N 428.536 3.697 0 40 IHAB COc1ccc(CN2CCC3(CC2)CCn2ccnc2[C@H]3NC(=O)c2cscn2)cc1 306133311 MHZMRUUIVHQQPC-HXUWFJFHSA-N 437.569 3.505 0 40 IHAB Cc1cc2ccccc2n1CCC(=O)N1CC[C@@H](c2ccccc2F)S(=O)(=O)CC1 390829725 GDQPBLCJFPFECJ-QFIPXVFZSA-N 428.529 3.867 0 40 IHAB Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)c(C)c1 408659057 LTCKXSINQQJGAF-OAHLLOKOSA-N 434.414 3.857 0 40 IHAB Cc1sc2nc(CS[C@H](C)C(=O)N[C@H](C)CN3CCC[C@@H](C)C3)nc(O)c2c1C 509648966 DEQDYXJYAOFCHM-XJKCOSOUSA-N 436.647 3.872 0 40 IHAB O=C(c1ccccc1-c1ccc(C(F)(F)F)cc1)N1[C@H]2C[C@H]3[C@H]([C@@H]2O)[C@@H]2C[C@H]3[C@@H](O)[C@@H]21 583310685 PUVOXYPUFXCIDU-MCGYWDJFSA-N 429.438 3.573 0 40 IHAB CC(C)CCN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)C1(F)CCOCC1)C2 585106617 CXFCYVKVGHANAC-DEOSSOPVSA-N 426.536 3.685 0 40 IHAB COc1ccc(CNC(=O)c2nc3c(s2)CCN(Cc2cccc(OC)c2)CC3)cc1 1203821119 NNOUAUCARQFAHB-UHFFFAOYSA-N 437.565 3.691 0 40 IHAB O=C(c1ccccc1)N1CC[C@H](C(=O)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)C1 1521024654 UHRRCJPQMNECPP-ICSRJNTNSA-N 432.442 3.768 0 40 IHAB COc1cc2c(=O)c(-c3ccc(OC(C)=O)cc3)coc2cc1OC(=O)CCCCCO 2060993446 RYJKDERXEMCXJT-UHFFFAOYSA-N 440.448 3.852 0 40 IHAB CCN(CC)CCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccccc2)C1=O 2105314 ZCMGVGMZTFOTAP-JYFHCDHNSA-N 444.579 3.585 0 40 IHAB biogenic COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)CNC(=O)c1ccc(C)c(C)c1 3360835 IRWVWTQKXJTFRV-UHFFFAOYSA-N 426.513 3.521 0 40 IHAB CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)/C=C/c1cc(OC)c(OC)c(OC)c1 3449514 VMHPBOHRGZRLKR-DHZHZOJOSA-N 446.931 3.544 0 40 IHAB COC(=O)c1c(C)[nH]c(C(=O)OCc2csc(CC(=O)Nc3ccccc3C)n2)c1C 3545243 VDKCUGULLSCJSZ-UHFFFAOYSA-N 441.509 3.721 0 40 IHAB CCc1nnc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(C)cc2)s1 6135537 YXNWCJLWAYNQKF-UHFFFAOYSA-N 437.554 3.782 0 40 IHAB O=C(NCc1ccco1)c1ccc(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)cc1 6144308 AYSUVZDADWJSIT-UHFFFAOYSA-N 435.867 3.641 0 40 IHAB O=C(Nc1ccccc1N1CCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 8993228 NRZFJTZYHLYOTF-QGZVFWFLSA-N 447.988 3.980 0 40 IHAB CCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3)cc1 9169002 QXIZVUAJSXAVNR-UHFFFAOYSA-N 431.514 3.583 0 40 IHAB C[C@H](OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C(=O)c1ccc(Cl)cc1 9169965 XCRYEYXMFZSQOZ-NSHDSACASA-N 430.309 3.672 0 40 IHAB CCOC(=O)c1sc2cccc(F)c2c1COC(=O)c1ccc(S(C)(=O)=O)cc1 9222412 HLKPYPASESRYPM-UHFFFAOYSA-N 436.482 3.978 0 40 IHAB Cc1ccnc(SCc2nc3cc(NC(=O)[C@@H]4COc5ccccc5O4)ccc3n2C)n1 9420623 MDXKIIJMSXKUSE-FQEVSTJZSA-N 447.520 3.743 0 40 IHAB CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)Cc1ccc(F)cc1 9544400 WLNKRJFRELZDQO-UHFFFAOYSA-N 435.565 3.884 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N(C)Cc2ccc(OC(F)F)cc2)cc1 9586136 GUCOGHXMZLBPMS-UHFFFAOYSA-N 426.485 3.591 0 40 IHAB CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2nc3c(oc4ccccc43)c(=O)[nH]2)C1=O 9640317 BMCXIJOMUUMNQI-QFIPXVFZSA-N 436.855 3.680 0 40 IHAB CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCS[C@@H]2c2ccccc2F)C1=O 9671851 YGUUTTDEXUENTQ-OFNKIYASSA-N 441.528 3.647 0 40 IHAB CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCS[C@@H]2c2ccccc2F)C1=O 9671852 YGUUTTDEXUENTQ-NFBKMPQASA-N 441.528 3.647 0 40 IHAB CCN(CC)CCCn1c2c(c(SCC(=O)Nc3cccc(C)c3C)nc1=O)CCC2 9746348 ONXJIYCOXDMYQQ-UHFFFAOYSA-N 442.629 3.812 0 40 IHAB Cn1c(COc2ccc(Cl)cc2)nnc1SCCCn1c(=O)[nH]c2ccccc21 9820484 SAYKUNUOYLOLGM-UHFFFAOYSA-N 429.933 3.873 0 40 IHAB Cc1cccc(NC(=O)Cn2c(=O)n(-c3ccc(F)cc3)c(=O)c3oc4ccccc4c32)c1 12140761 VHPABYWFZRRIFI-UHFFFAOYSA-N 443.434 3.985 0 40 IHAB COc1ccccc1Nc1nc(N)nc(COC(=O)c2occc2COc2ccccc2)n1 12189767 SGIALZLAORKAKC-UHFFFAOYSA-N 447.451 3.735 0 40 IHAB CS(=O)(=O)c1ccc(Cl)c(C(=O)OCc2cc3c(cc2Br)OCO3)c1 12582264 IVNNOQBHKIXQQH-UHFFFAOYSA-N 447.690 3.592 0 40 IHAB COc1ccc(CCNS(=O)(=O)c2cc(Br)ccc2Br)cc1 12801587 FVGXCMDBFAKKRA-UHFFFAOYSA-N 449.164 3.741 0 40 IHAB COC(=O)[C@H](NC(=O)CCc1nc(-c2cccc(C(F)(F)F)c2)no1)c1ccccc1 12950312 RSGRHSGNSDODOT-GOSISDBHSA-N 433.386 3.719 0 40 IHAB CC(C)CCN(C(=O)CNC(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1cccs1 13506744 WYXSAVYTCHCLLU-NRFANRHFSA-N 445.585 3.746 0 40 IHAB COCCNc1nnc(SCC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)s1 14075809 RZVHXDBNSUAQAC-ZDUSSCGKSA-N 449.583 3.721 0 40 IHAB O=C(CN1C(=O)C(=O)c2cc(Br)ccc21)Nc1cccc(C(F)(F)F)c1 14137309 NYOREXMSBJRBKZ-UHFFFAOYSA-N 427.176 3.636 0 40 IHAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)Cn1nc(-c2ccccc2)oc1=S 14250485 YSUONSBLFCSWOS-HNNXBMFYSA-N 437.525 3.526 0 40 IHAB COC(=O)c1ccc(NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc1 14411856 DFQSPRNSGWWCAS-UHFFFAOYSA-N 438.505 3.692 0 40 IHAB O=C(Nc1ccc(Cl)cc1Cl)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 14495857 LGQDIPGVZISCCK-UHFFFAOYSA-N 449.743 3.920 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)n(C)c1 14701112 IXRVZDJYZKHKPY-CYBMUJFWSA-N 431.480 3.565 0 40 IHAB COc1ccccc1N1CCN(Cc2nnc(-c3ccc(Br)s3)o2)CC1 15375950 MQUGRQOLFVWHKI-UHFFFAOYSA-N 435.347 3.891 0 40 IHAB COc1ccc(N(CCC(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)cc2C)cc1 15593405 FWNCEGGONKAWAE-UHFFFAOYSA-N 430.570 3.956 0 40 IHAB Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)N4CCN5CCC[C@@H]5C4)c3N2)cc1 15931283 GQFMRZHRGJJHOH-BHIYHBOVSA-N 433.478 3.772 0 40 IHAB CCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2nc3ccc(Cl)cc3s2)n1 16753753 FPFIFLPNXXAXFL-UHFFFAOYSA-N 431.326 3.829 0 40 IHAB CCOc1cc(/C=C/C(=O)OCC(=O)Nc2cccc3nsnc23)cc(Cl)c1OC 19078524 PHLKOCNXNAHZAR-BQYQJAHWSA-N 447.900 3.947 0 40 IHAB Cc1cc(-c2cnc(N(C)C)nc2-c2ccc(CNC(=O)CC[C@H]3CCCO3)cc2)on1 19123849 ZJPMJCQQUFYUFM-LJQANCHMSA-N 435.528 3.748 0 40 IHAB O=C1CCCN1CC(=O)N1CCC[C@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 19373233 KXAGPFKOAOWYCP-NRFANRHFSA-N 442.523 3.568 0 40 IHAB COc1c(CN2CCN(C)C(=O)[C@@H](Cc3ccc(-c4cccs4)cc3)C2)c(C)nn1C 19577959 FEXQGEYSGYCQFE-FQEVSTJZSA-N 438.597 3.599 0 40 IHAB CN(C(=O)CN1CCC[C@H](c2ccc(-c3cccc(C(N)=O)c3)cn2)C1)C1CCCCC1 19688611 VYTRHSCTXXWSJE-QFIPXVFZSA-N 434.584 3.818 0 40 IHAB COc1cc(C)c(CN2CCO[C@H](c3nccnc3-c3ccc(C(N)=O)cc3)C2)c(C)c1C 19693287 HKUZWNPOYSJKSR-QHCPKHFHSA-N 446.551 3.750 0 40 IHAB CC1CCN(CC(=O)N2CCC[C@@H](c3nc(N(C)C)ncc3-c3ccccc3F)C2)CC1 19694005 YLMHMKMXPDLZBR-LJQANCHMSA-N 439.579 3.787 0 40 IHAB Cc1n[nH]cc1C(=O)N1CCCC[C@H]1c1nc(C)c2c(n1)N(Cc1ccccc1)C(=O)CC2 19741003 GDYMAKQDLCFGOC-NRFANRHFSA-N 444.539 3.663 0 40 IHAB Cc1nc([C@@H]2CCCN2C(=O)CCCc2ccccn2)nc2c1CCC(=O)N2CC(C)C 19742094 RLDDYSWBWJCKCD-NRFANRHFSA-N 435.572 3.802 0 40 IHAB CCN1CCN(c2ccc(-n3c(C)nc4c(cnn4-c4ccc(Cl)cc4)c3=O)cc2)CC1 19908719 YBTVWKPJAIOOMS-UHFFFAOYSA-N 448.958 3.675 0 40 IHAB CCCC(=O)Nc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 22258939 MDCVHJGACRICSJ-GOSISDBHSA-N 443.569 3.773 0 40 IHAB CCCOc1ccccc1CCCNC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 22338642 MKMCXYPWZKOESU-UHFFFAOYSA-N 432.586 3.607 0 40 IHAB CN1CCN([C@@H](c2ccccc2Cl)c2sc3nc(-c4ccco4)nn3c2O)CC1 22795468 QOQJWBKETRHUSO-INIZCTEOSA-N 429.933 3.747 0 40 IHAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)OC(=O)c1cc2c(s1)CCCCC2 23564856 BXZXXOAJMLGPSE-INIZCTEOSA-N 428.554 3.934 0 40 IHAB O=C1c2ccccc2N[C@@H](c2ccc(Br)s2)N1CCCN1CCOCC1 24099756 XDXLIJAMBYNUTK-GOSISDBHSA-N 436.375 3.799 0 40 IHAB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)NCCSC2CCCCC2)CC1 24611110 XCCJIPZGAGSVTF-UHFFFAOYSA-N 438.659 3.719 0 40 IHAB O=C(CSc1nnc(NC[C@H]2CCCO2)s1)Nc1ccccc1OCC(F)(F)F 25351156 FWKHAMAJRHXZTQ-LLVKDONJSA-N 448.492 3.801 0 40 IHAB CSc1nc(-c2cccs2)nc(C)c1C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 29213117 WNTFXHITYQYFPG-UHFFFAOYSA-N 437.550 3.744 0 40 IHAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1ccccc1I 30214585 COVXIOQMCUDVRH-LBPRGKRZSA-N 443.306 3.528 0 40 IHAB COc1cc2c(cc1OC)-c1c(c(C(=O)NC[C@H]3CCCO3)nn1-c1ccccc1F)C2 32074712 UJFYNFICZBZACL-OAHLLOKOSA-N 437.471 3.509 0 40 IHAB COc1cccc(C(=O)N2CCN([C@H](C)c3nc(-c4ccc(Cl)cc4)no3)CC2)c1O 32914480 WQAAODKUZOHEAZ-CQSZACIVSA-N 442.903 3.623 0 40 IHAB CCCCOc1ccc(/C=C/C(=O)N(C)CC(=O)Nc2cccc(OC)c2)cc1OC 32966457 PCSYTMSMAQLTLW-ACCUITESSA-N 426.513 3.993 0 40 IHAB COCCCn1c(C(=O)N(Cc2ccccc2)C(C)C)cc2c(=O)n3ccccc3nc21 33550904 BOWWSQULIAPYII-UHFFFAOYSA-N 432.524 3.737 0 40 IHAB O=C(CN1CCN(C(=O)c2cccs2)CC1)Nc1ccc(N2CCCCCC2)cc1 35392772 ZXOCAUOWDCLKFB-UHFFFAOYSA-N 426.586 3.525 0 40 IHAB Cc1cc(O)c(CC(Cc2c(O)cc(C)oc2=O)c2ccc(OC(F)F)cc2)c(=O)o1 36633738 GIVMYWCZYFPASL-UHFFFAOYSA-N 434.391 3.791 0 40 IHAB Cc1c(NC(=O)c2cc3sccc3n2Cc2ccccc2Cl)c(C(N)=O)nn1C 40267119 NENLBLVKQJPNPH-UHFFFAOYSA-N 427.917 3.798 0 40 IHAB CC[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1cccc3ccccc13)CC(=O)N2 40390536 BQEWJQLJRNDEBK-WMZOPIPTSA-N 445.523 3.757 0 40 IHAB COc1ccc(OC)c(NC(=O)Cn2cccc2-c2nc(-c3ccc4c(c3)OCO4)no2)c1 57487032 SEUUTYJCFZRHRB-UHFFFAOYSA-N 448.435 3.590 0 40 IHAB Cc1ccc2[nH]c(=O)c(CN(Cc3nnnn3C3CCCCC3)C[C@H]3CCCO3)cc2c1 57606909 JOINIMRRLQRBEF-OAQYLSRUSA-N 436.560 3.509 0 40 IHAB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3cc(C)nc4onc(C)c34)cc2)n1 58015811 VMOLUCNIMIGFGA-UHFFFAOYSA-N 437.481 3.596 0 40 IHAB COc1ccc(NC(=O)c2c[nH]c3c(C)cc(Br)cc3c2=O)cc1NC(C)=O 58357028 KHURQHTUAXWNRJ-UHFFFAOYSA-N 444.285 3.818 0 40 IHAB CCOc1ccc(CC(=O)OCC(=O)Nc2ccc(Br)cc2)cc1OCC 72330920 ZHEIVMLNVVNBNA-UHFFFAOYSA-N 436.302 3.971 0 40 IHAB Cc1cc(CN2CCc3nc(-c4cccnc4)nc(O)c3C2)c(C)n1Cc1cccnc1 72339872 YRSSWQZXUFTNJG-UHFFFAOYSA-N 426.524 3.664 0 40 IHAB COc1cc2c(cc1OC)CN(C(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1)CC2 84240495 SSPWJHNLHWSCDW-FQEVSTJZSA-N 440.540 3.897 0 40 IHAB Cc1ccc(N2CCN(Cc3ccccc3)C3(CCN(CC4CCOCC4)CC3)C2=O)cn1 96230403 LJLOQXXLDJYIGZ-UHFFFAOYSA-N 448.611 3.500 0 40 IHAB C[C@H](NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)[C@H]1C[C@@H]2CC[C@@H]1C2 102366128 BEIZABVBAPSJGG-BIZBXSGISA-N 434.583 3.590 0 40 IHAB COc1ccc(CNC(=O)c2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)cc1 143655410 WMSSECYAECFUNJ-UHFFFAOYSA-N 438.549 3.900 0 40 IHAB Cc1ccc([C@@H](NC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)c2ccccc2)cc1 216373275 ZYFIQCZFBOMSQX-QHCPKHFHSA-N 444.503 3.945 0 40 IHAB CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(CN)NC(=O)OC(C)(C)C)cc1 218648363 PTUHUWYTHYZGFD-LGVFNWMJSA-N 444.597 3.719 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)N(c2ccc(C)cc2)S(C)(=O)=O)c(C)c1 219099816 HFKIJQURPWQJLC-FQEVSTJZSA-N 432.542 3.663 0 40 IHAB COc1ccccc1CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1 222775788 PFOGQNAGWDHLBP-FQEVSTJZSA-N 432.520 3.808 0 40 IHAB CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccc(C)cc1 223079936 JHVHXLJOOQVLAX-MRXNPFEDSA-N 433.346 3.690 0 40 IHAB COc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN(C)C)cc1 223237818 LUSACEARKGVBFH-XZOQPEGZSA-N 435.597 3.805 0 40 IHAB Cc1cc(C)cc(OCCNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)c1 224079185 XTRZTNKFEGRUOJ-UHFFFAOYSA-N 430.570 3.595 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)N[C@H](C)c1ccccc1C 225382525 MGAZYCWJRKNCOY-GOSISDBHSA-N 430.570 3.598 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=S)Nc1ccc(Cl)cc1 225464641 CXZAIRVDMNRVHP-UHFFFAOYSA-N 425.963 3.942 0 40 IHAB CN(C)C(=O)c1cc([C@H]2CC[C@H](CNC(=O)c3cccnc3N)CC2)nc2ccccc12 257205420 AYYGHVYPYVFPAA-QAQDUYKDSA-N 431.540 3.618 0 40 IHAB Cc1nonc1CC(=O)N1CCO[C@H](c2cccc(Cc3ccccc3C(F)(F)F)n2)C1 257206987 BFSRVIJDILASKX-FQEVSTJZSA-N 446.429 3.525 0 40 IHAB Cc1cc(C)cc(C2(C(=O)N3CCOC[C@H](Cc4ccc5nccn5n4)C3)CCCC2)c1 257302238 SCBMIZYVUGVVDU-OAQYLSRUSA-N 432.568 3.876 0 40 IHAB COc1cccc(-c2ccc3nc([C@H]4CCCN(C(=O)c5ccccn5)C4)nn3c2)c1OC 306131911 KSPSSMSJQPAUIB-SFHVURJKSA-N 443.507 3.828 0 40 IHAB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)Nc1ccccc1C(F)(F)F 409154109 JTNRDUIJZONGIF-LBPRGKRZSA-N 440.805 3.894 0 40 IHAB C[C@H]1Oc2c(cccc2C(=O)N[C@H](Cc2ccc(O)cc2)c2nc3ccccc3[nH]2)NC1=O 520571314 MVVFLWFQBJSOHT-SPLOXXLWSA-N 442.475 3.702 0 40 IHAB O=C(Cc1ccc(N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1)N1CCOCC1 540855068 PDZCZPUTEABICD-HXUWFJFHSA-N 448.350 3.612 0 40 IHAB O=C(Cc1ccccc1)N1CCO[C@@]2(C1)C(=O)N(Cc1cccs1)C[C@@H]2c1ccccc1 585107552 ZNWLOBURLYRCBS-ZEQKJWHPSA-N 446.572 3.714 0 40 IHAB O=C1NCCN(C(=O)c2ccncc2)CCOc2ccc(C3CC3)cc2Cc2cccc1c2 643568696 IPEDXXYGXFGZFO-UHFFFAOYSA-N 441.531 3.814 0 40 IHAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@H]3C4)cc2C)cc1 1073667223 DDYOIPDMHDKTAO-XGHQBKJUSA-N 428.554 3.747 0 40 IHAB COc1ccc2cc(CN(Cc3nnnn3Cc3ccccc3)C3CCCC3)c(=O)[nH]c2c1 927637 POSWLFASUJCLEC-UHFFFAOYSA-N 444.539 3.516 0 40 IHAB COC(=O)CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC(C)(C)OC3 985029 ANYBVYBVVQMLRQ-UHFFFAOYSA-N 430.551 3.954 0 40 IHAB COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccccc3)c(=O)c2[C@@H]1c1cccc(Cl)c1 2249946 MJDPHXYKKGQWQA-IBGZPJMESA-N 436.895 3.726 0 40 IHAB O=C(O)c1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2ON1c1ccccc1 2406500 VARXRXVMXBPTGE-NJYVYQBISA-N 432.407 3.575 0 40 IHAB COc1ccc(NC(=O)c2ccc(NC(=O)COc3nncc4ccccc34)cc2)cc1 2641012 XPVHTOFAEBUXNI-UHFFFAOYSA-N 428.448 3.908 0 40 IHAB Cc1nnc(NC(=O)CSc2nc3c([nH]c4ccccc43)c(=O)n2-c2ccccc2)s1 2720619 PKRUIIXQICGEBV-UHFFFAOYSA-N 448.533 3.758 0 40 IHAB COc1ccc(CCNC(=O)COc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 3250584 OJABSQGTWYBDJZ-UHFFFAOYSA-N 440.503 3.952 0 40 IHAB CCCNC(=O)NC(=O)CSc1nnc(-c2ccc(OC)cc2)n1-c1ccc(C)cc1 3443825 MAFCMXFPKZTIHW-UHFFFAOYSA-N 439.541 3.579 0 40 IHAB Cc1cccc(N(C(=O)c2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]2OC(=O)c2ccccc2)c1 6142360 KGRXKQPYJIBNJG-PKTZIBPZSA-N 449.528 3.664 0 40 IHAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)N[C@@H](CC(C)C)C(=O)O)CC2 6624513 WSBGVLHRRFXMNO-SIKLNZKXSA-N 426.513 3.860 0 40 IHAB biogenic CCc1nnc(NC(=O)CSc2nnc(-c3cccnc3)n2Cc2ccccc2)s1 6860997 KHAWECWHKUKBNB-UHFFFAOYSA-N 437.554 3.533 0 40 IHAB COc1ccc(-n2nnnc2SCC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 8704693 XGFDHRKIUZKOQL-UHFFFAOYSA-N 445.504 3.898 0 40 IHAB C[C@@H](Sc1nnc(N2CCOCC2)n1-c1ccccc1)C(=O)c1c[nH]c2ccccc12 8707859 VVSADXRFQNKVHE-MRXNPFEDSA-N 433.537 3.949 0 40 IHAB CCNS(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)cc1 8871968 QELLTTKVESREMJ-UHFFFAOYSA-N 432.505 3.847 0 40 IHAB COc1ccc(C)cc1N(CC(=O)Nc1cccc(F)c1)S(=O)(=O)c1ccccc1 8952451 MLJUILHLYWBUBB-UHFFFAOYSA-N 428.485 3.977 0 40 IHAB CCc1ccccc1N1C[C@H](c2nnc(NC(=O)c3ccc(NC(C)=O)cc3)s2)CC1=O 9198089 VKIAGUAIWAFWLO-QGZVFWFLSA-N 449.536 3.832 0 40 IHAB CC(C)[C@H](NCC(=O)Nc1ccccc1C(=O)NC1CC1)c1ccc2c(c1)OCCCO2 9253098 CGVLKAWFMSBDET-DEOSSOPVSA-N 437.540 3.666 0 40 IHAB CCCc1nnc(NC(=O)CSc2nnc(COc3cc(C)ccc3C)n2C)s1 9302794 CQXCLEIYFNTJHY-UHFFFAOYSA-N 432.575 3.546 0 40 IHAB C[C@@H](NC(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)c1cccc(Cl)c1 9377799 ABKLYYYZQSFSLO-CYBMUJFWSA-N 439.928 3.732 0 40 IHAB O=C1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)C(c2ccccc2)c2ccccc2)CC1 9493554 ZCBCDKSYFABXOM-VWLOTQADSA-N 440.543 3.738 0 40 IHAB COc1cc(Br)cc2cc(S(=O)(=O)c3ccc(F)c(C)c3)c(=O)oc12 9610717 FKGRIZRXNMXQHV-UHFFFAOYSA-N 427.247 3.844 0 40 IHAB Cc1ccc(C)c(OCCC(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)c1 9634887 IIEKLMMMYAASLB-UHFFFAOYSA-N 428.510 3.783 0 40 IHAB CCOc1ccccc1-n1nnc(-c2nsc(NC(=O)c3ccccc3OC)n2)c1C 9638987 PNDKVTIQYGELSB-UHFFFAOYSA-N 436.497 3.754 0 40 IHAB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c1C 9704109 RIYYSQSJNLGPMH-UHFFFAOYSA-N 442.468 3.645 0 40 IHAB CN(Cc1cccnc1)C(=O)c1cc(S(=O)(=O)Nc2ccccc2F)ccc1Cl 9713976 JOZILPGZAQYBBU-UHFFFAOYSA-N 433.892 3.947 0 40 IHAB O=S(=O)(NC[C@H](c1ccco1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 9740699 UQQNMSRLMSJVRW-GOSISDBHSA-N 443.905 3.566 0 40 IHAB COc1ccc(N(CC(=O)Nc2cccc(F)c2)S(=O)(=O)c2ccc(F)cc2)cc1 9847014 VMEUMTWVKGLCFH-UHFFFAOYSA-N 432.448 3.807 0 40 IHAB O=S(=O)(NCCOc1ccc(-c2ccc(F)cc2)nn1)c1ccccc1C(F)(F)F 9852935 OSDFLZDIZUPKKO-UHFFFAOYSA-N 441.406 3.659 0 40 IHAB O=C(NCCCN1CCCC1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 10450119 DFNUPWNPOQDQFW-VWLOTQADSA-N 437.609 3.719 0 40 IHAB COc1cc(OC)c(C2=CCN(C(=O)c3nn(-c4ccccc4)cc3OC)CC2)c(OC)c1 11918773 AXEKJQMUFFYRSK-UHFFFAOYSA-N 449.507 3.836 0 40 IHAB CCOC(=O)c1c(NC(=O)c2nn(-c3ccc(OCC)cc3)ccc2=O)sc(C)c1C 12062545 KNWUWBVKEHPIMX-UHFFFAOYSA-N 441.509 3.739 0 40 IHAB Cc1cc2c(cc3c(=O)n(CC(=O)NC(c4ccccc4)c4ccccc4)nc(C)n32)o1 12115503 PPKAJPWKMIFERQ-UHFFFAOYSA-N 426.476 3.765 0 40 IHAB COc1ccc(-c2nc(C)c(C(=O)N3CCN(c4ccccc4O)CC3)s2)cc1OC 12536515 GFUOLSRFHJJPPY-UHFFFAOYSA-N 439.537 3.804 0 40 IHAB Cn1nc(C2CCCCC2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)COc1ccccc1 12602031 YONRWVLPDDICCZ-XJUOHMSHSA-N 436.600 3.841 0 40 IHAB biogenic,in-vitro CCOc1ccc(NC(=O)CCC(=O)c2cc(C)sc2C)cc1S(=O)(=O)N(C)C 12690710 DXNGLRODMIEYDF-UHFFFAOYSA-N 438.571 3.616 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCSCc3ccsc3)CC2)cc1 12845875 VSFQQMLMBTXDGW-UHFFFAOYSA-N 438.640 3.507 0 40 IHAB COC(=O)C[C@@H](NC(=O)c1sc(-c2ccccn2)nc1C)c1ccc(OC)c(OC)c1 12866961 KHAVKMZPLAOYLV-MRXNPFEDSA-N 441.509 3.565 0 40 IHAB CC(C)CCN1C(=O)c2ccc(C(=O)Nc3sc4c(c3C(N)=O)CCCC4)cc2C1=O 13108385 UFTIGDLBSOIOCC-UHFFFAOYSA-N 439.537 3.620 0 40 IHAB COc1cccc(N2CCN([C@@H](c3ccccc3)c3nnnn3Cc3ccccc3)CC2)c1 13504574 PLCPOGYELSZSSU-VWLOTQADSA-N 440.551 3.642 0 40 IHAB CC(C)(C)[C@@H]1CCc2c(sc3nc(CN4CCN(C(=O)C5CCC5)CC4)[nH]c(=O)c23)C1 13513530 OBLYGDYMDCRZLP-MRXNPFEDSA-N 442.629 3.580 0 40 IHAB Cc1cc(C)cc(NC(=O)CN2CCC(NC(=O)c3ccccc3Br)CC2)c1 13562883 OLYVLQXKDVFZHH-UHFFFAOYSA-N 444.373 3.899 0 40 IHAB O=C(O)/C=C/C(=O)Nc1ccc(C(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)cc1 13579071 ZLZKXIRLODHGMS-VAWYXSNFSA-N 441.439 3.877 0 40 IHAB CCOC(=O)c1sc(N(C(=O)c2cc(-c3cnn(C)c3C)no2)C2CCCC2)nc1C 13642278 SLYPPOZJAVLKLM-UHFFFAOYSA-N 443.529 3.915 0 40 IHAB CC[C@@H](C(=O)Nc1ccccc1C(=O)N[C@H](C)CC)N(c1ccc(F)cc1)S(C)(=O)=O 13686425 LJNOSUNARIPFQJ-QRWLVFNGSA-N 449.548 3.537 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2cccnc2)cc1C(C)C 13945741 PAMWYJGKERSJIJ-UHFFFAOYSA-N 439.537 3.944 0 40 IHAB NC(=O)N[C@@H](CC(=O)NCc1ccccc1CN1CCCCC1)c1ccccc1Cl 14197470 NHHQGKZUPDSHSH-NRFANRHFSA-N 428.964 3.742 0 40 IHAB Cc1cc(C(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c2c(C)noc2n1 14306430 YSVMTYXLLLSOKF-UHFFFAOYSA-N 436.493 3.917 0 40 IHAB COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)Nc1ncc(Cl)cc1Cl 18050455 XLGJHTJBCPQOAG-UHFFFAOYSA-N 431.707 3.559 0 40 IHAB C[C@@H](OC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O)C(=O)c1cccc(Cl)c1 18328416 RGFGSBQMJKLOIL-DYVFJYSZSA-N 441.867 3.543 0 40 IHAB O=C(CSc1nc2ccccc2c(=O)n1C1CC1)NC1CCN(Cc2ccccc2)CC1 18965197 PMEGFDVKLNWNKI-UHFFFAOYSA-N 448.592 3.604 0 40 IHAB COc1ccc(OCC(=O)N2CCC[C@@H]([C@@H]3C[C@H](C(F)F)n4nc(C)cc4N3)C2)cc1 19127933 VQBBGHWCNHQUFA-AYOQOUSVSA-N 434.487 3.508 0 40 IHAB O=C([C@H]1CCCN1)N1CCC[C@H](c2cc(Nc3cccc(F)c3)nc(-c3cccnc3)n2)C1 19294186 ZGFIORGJQHUDQC-GHTZIAJQSA-N 446.530 3.879 0 40 IHAB Fc1ccc(-c2cnc3c(c2)[C@@H](N2CCOCC2)n2nc(-c4ccncc4)nc2S3)cc1 19336712 SMLHDIOIKQAMSV-QFIPXVFZSA-N 446.511 3.885 0 40 IHAB CCN1CCN(C(=O)c2c(C)noc2C)C[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O 19527376 CMPZYQMADVZOGX-JOCHJYFZSA-N 432.524 3.517 0 40 IHAB CNC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CCN(C(=O)c2cccc(OC)c2)C1 19591585 MSGXPOQKHIFBMJ-SANMLTNESA-N 429.520 3.578 0 40 IHAB COc1ccc(-c2cnc(N(C)C)nc2[C@H]2CCN(C(=O)c3ccnn3C(C)C)C2)cc1 19695035 SZWQENSZCPOQDO-SFHVURJKSA-N 434.544 3.625 0 40 IHAB CCOC(=O)C1=C(CN2CCc3ccccc3C2)NC(=O)N[C@H]1c1ccc(Cl)cc1 20213959 VPQVCGNSMGMBKM-NRFANRHFSA-N 425.916 3.569 0 40 IHAB CCOc1ccc(NC(=O)CSc2nnc(Cc3ccc(OC)c(OC)c3)o2)cc1 20759977 PARRAIWPBRKPQO-UHFFFAOYSA-N 429.498 3.807 0 40 IHAB CC(C)Oc1ccc(N(CC(=O)Nc2ccc(C(F)(F)F)cc2)S(C)(=O)=O)cc1 22393141 FYCARNBQJFCYDY-UHFFFAOYSA-N 430.448 3.897 0 40 IHAB CC[C@H](NC(=O)CN(c1c(C)cc(C)cc1C)S(C)(=O)=O)c1ccc(OC)c(OC)c1 22427626 VUFLKUJESRDPQR-IBGZPJMESA-N 448.585 3.663 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)cc1 22527458 FSAONNJLSSKGPU-UHFFFAOYSA-N 444.553 3.821 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(COc4ccccc4)o3)C2)cc1C 23140414 XLVXVRJTTVPQTH-SFHVURJKSA-N 427.526 3.834 0 40 IHAB COc1ccc([C@H](c2sc3nc(C)nn3c2O)N2CCN(c3ccccc3)CC2)cc1 23157300 HSKWYULIMUXNMR-HXUWFJFHSA-N 435.553 3.725 0 40 IHAB O=C(Nc1ccccc1C(=O)NCC1(N2CCOCC2)CCCCC1)c1cccs1 24929379 RFJZVWDLOHDYCZ-UHFFFAOYSA-N 427.570 3.765 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)Cc2csc3nc(C)cn23)c1 24993612 MJFQIWCEOFMJEB-UHFFFAOYSA-N 434.587 3.533 0 40 IHAB Cc1ccc(NC(=O)[C@@H](NCCCN2C(=O)NC3(CCCC3)C2=O)c2ccccc2)cc1 25672248 RBYMEWREEWPKJW-NRFANRHFSA-N 434.540 3.519 0 40 IHAB C[C@]12CCC(=O)N1[C@H](C(=O)NCc1ccc(-c3ccc(Br)cc3)o1)CS2 26691538 GUUMZHTZBKRLSD-KXBFYZLASA-N 435.343 3.779 0 40 IHAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N1CCC[C@@H]1c1nnc2ccccn12 29078728 GFOJGABXQVMWFX-OAQYLSRUSA-N 439.523 3.838 0 40 IHAB COc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCn4c3nc3ccccc34)c2)cc1 29376575 DZFZNGGBIRYCEG-UHFFFAOYSA-N 448.504 3.506 0 40 IHAB COc1cc2c(cc1OC)-n1c(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cnc1C2 32611960 ZYTMCPMDIHVNEY-UHFFFAOYSA-N 439.415 3.613 0 40 IHAB Cc1cc(C)c(NC(=O)CN2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)c(C)c1 35518818 UEMBTPHAFBRFLE-UHFFFAOYSA-N 443.613 3.680 0 40 IHAB O=C(c1cc(Cl)ccc1Cl)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCO3)CC1 42382350 NGZCDNBKHAPCHL-HZPDHXFCSA-N 447.318 3.810 0 40 IHAB O=c1c2ccccc2n2c(=O)n(Cc3ccc(Cl)cc3)nc2n1Cc1ccc(F)cc1 64860638 ZHFFZVCGFDPRHK-UHFFFAOYSA-N 434.858 3.700 0 40 IHAB CC(C)NC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(C(=O)[C@@H]2CCCO2)CC1 72345169 UDCDLOLBSUCGFH-QHCPKHFHSA-N 435.568 3.604 0 40 IHAB Cc1nccn1CCC(=O)N1CC[C@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 72371533 OOPLJKGIFLZECB-KRWDZBQOSA-N 427.936 3.596 0 40 IHAB Cc1nc(CC(=O)N2CCC[C@H](c3nc(C)c4c(n3)N(CC3CC3)CCC4)C2)cs1 72373843 ZWVDOJKRWKHBEA-SFHVURJKSA-N 425.602 3.661 0 40 IHAB O=C(NC[C@@H]1CCCN2CCCC[C@H]12)c1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1 85876631 BHWZQWQSFXDICP-PZJWPPBQSA-N 435.524 3.662 0 40 IHAB biogenic COc1ccc(OCC(=O)NC[C@H]2CC[C@H](c3nnc(-c4ccc(C)nc4)o3)CC2)cc1 100155933 VJUGNFRYOMQCOH-HDICACEKSA-N 436.512 3.918 0 40 IHAB Cc1ccc(NC(=O)CSc2nnc([C@@H](C)NC(=O)c3ccccc3Cl)n2C)cc1 107930959 FDSAMZFVUCTWBL-CQSZACIVSA-N 443.960 3.999 0 40 IHAB Cc1cc(N2CC[C@]3(O)CCCC[C@@H]3C2)nc([C@H](C)N2CC[C@@]3(O)CCCC[C@@H]3C2)n1 108151197 BZEVBUNFRZVASC-KJOYFNOOSA-N 428.621 3.604 0 40 IHAB CNC(=O)c1cccc(NC(=O)N[C@@H]2CCN(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)n1 108479941 OMAFYZQCQUQKKF-VQIMIIECSA-N 433.915 3.579 0 40 IHAB C[C@H](NC(=O)CSc1nnc(Cc2cccc3ccccc23)n1N)[C@@H]1C[C@H]2CC[C@H]1C2 108824054 ZMVFODQCPLMNCM-UGJIMAENSA-N 435.597 3.769 0 40 IHAB CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1[C@@H](C)NC(=O)c1ccccc1F 109042413 MVOVFKSZYXRMNO-OAHLLOKOSA-N 441.532 3.967 0 40 IHAB C[C@H]1CC[C@@]2(OC1)O[C@@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)[C@H](O)C[C@]5(C)[C@H]4CC(=O)[C@]3(C)[C@H]1[C@@H]2C 118918273 PBLXVDNSLUFVHF-XPNPJVNDSA-N 446.628 3.944 0 40 IHAB NC(=S)[C@H]1[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Br)cc1 218244709 DMMXXYQEZOSGJJ-ZNMIVQPWSA-N 430.776 3.945 0 40 IHAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1 220698125 UITSJYRIHLXKDY-CABCVRRESA-N 432.496 3.570 0 40 IHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(OC)c(OC)c1 223718524 SJCOEQMVPWYIAH-MRXNPFEDSA-N 432.948 3.843 0 40 IHAB CCOc1cccc(CNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)c1 223961662 ARLKTEVVSQMMGT-UHFFFAOYSA-N 428.485 3.955 0 40 IHAB CSc1ccc(S(=O)(=O)NC(C)(C)Cc2ccccc2)cc1C(=O)N1CCCC1 225263288 YEMDICKGPWXPMK-UHFFFAOYSA-N 432.611 3.944 0 40 IHAB O=C(c1ccccc1C(F)(F)F)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1 252485020 GMMGFWLHBZHPDN-UHFFFAOYSA-N 431.414 3.779 0 40 IHAB CCC[C@](C)(O)[C@H]1C[C@@]23C=C[C@@]1(OC)[C@]1(C)Oc4c(O)ccc5c4[C@]21CCN(C)[C@H]3C5 253504467 GGSNWFNWEAZKML-AKZFMRSJSA-N 425.569 3.554 0 40 IHAB biogenic,in-vitro COc1ccc(OCCN2CC[C@H](c3c(C(=O)N(C)C)sc4ncccc34)C2)cc1 257216706 CVTNPPCLLAKIHX-INIZCTEOSA-N 425.554 3.875 0 40 IHAB Cc1cc(C)cc(C2(C(=O)N3CCOC[C@@H](Cc4nccn5cccc45)C3)CCOCC2)c1 257302285 SCHQKMYRIHNJPZ-QFIPXVFZSA-N 447.579 3.717 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N[C@H](C)CCc2ccccc2)C1 408583254 GPWDZAQCCIYMMU-TZIWHRDSSA-N 444.597 3.542 0 40 IHAB COc1ccc(CN(C)C(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 408623188 DTAJATYHNVYMRV-UHFFFAOYSA-N 442.512 3.688 0 40 IHAB C[C@H](NC(=O)COC(=O)CCS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1 408646455 PGBCXMURSBFSOB-ZDUSSCGKSA-N 444.336 3.578 0 40 IHAB C[C@@H]1CC[C@H]2C(=O)N(c3ccc(C(=O)OCC(=O)Nc4ccc(F)cc4)cc3)C(=O)[C@H]2C1 408664851 PMUHACYOGIYAJY-XMCHAPAWSA-N 438.455 3.547 0 40 IHAB COc1ccc(NC(=O)c2ccccc2N2C(=O)[C@H]3[C@@H]4C[C@H](C=C4C)[C@H]3C2=O)c(OC)c1 408673489 SMYZALSFMKGHET-RBLYABSFSA-N 432.476 3.658 0 40 IHAB COc1cc(NC(=O)CCCN(c2cccc(C)c2)S(C)(=O)=O)c(OC)cc1Cl 408694161 DAOUJOZBAFCXIX-UHFFFAOYSA-N 440.949 3.851 0 40 IHAB CCOc1ccccc1NC(=O)C1CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)CC1 409015368 MGGJYAONPKJKDG-UHFFFAOYSA-N 442.512 3.602 0 40 IHAB CS(=O)(=O)N(CC(=O)NCCSCc1ccccc1)c1cc(Cl)ccc1Cl 409028338 LJNDPDGKTWINGD-UHFFFAOYSA-N 447.409 3.809 0 40 IHAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3CC)C2=O)cc(Cl)c1O 409235234 OGTOOMSGFNQQPD-LICLKQGHSA-N 443.887 3.538 0 40 IHAB Cc1nocc1C(=O)N1CCC2(CC1)C[C@@H](COCC1CC1)N(C(=O)c1ccccc1)C2 585103692 NKYRXGHFFIDEHZ-NRFANRHFSA-N 437.540 3.547 0 40 IHAB CC(C)(NC(=O)c1cccc(F)c1)C(=O)N1CCOC[C@H](Cc2cccc3cnccc23)C1 585262069 LFZOFMCTVLRURP-GOSISDBHSA-N 449.526 3.600 0 40 IHAB CC(C)C[C@@H]1NC(=O)C2(CCCCOCCCNC1=O)CCN(Cc1ccccc1)CC2 643581657 NVEJOJMDMHPJKO-QHCPKHFHSA-N 443.632 3.507 0 40 IHAB CC(C)C(=O)N1CCCCCCCNCc2cc(C(=O)NC[C@H]3CCCN(C)C3)ccc21 643584108 TUNUDXCMGOHIQE-OAQYLSRUSA-N 442.648 3.801 0 40 IHAB COc1ccc(-c2nnn(CC(=O)N3c4ccccc4CCc4ccccc43)n2)cc1OC 932093 MQAPICNAUXVFCS-UHFFFAOYSA-N 441.491 3.821 0 40 IHAB COCCNC(=O)c1cnn2c1N[C@H](c1ccc(Br)cc1)C[C@H]2C(F)(F)F 2088244 XSTPUQWYWMEPSR-KBPBESRZSA-N 447.255 3.682 0 40 IHAB CCOc1ccc(NC(=O)[C@H](C)N2C(=O)N3CCc4c([nH]c5ccccc45)[C@]3(C)C2=O)cc1 2110031 SSZIYVYETRVFDE-ODCWNRFASA-N 446.507 3.629 0 40 IHAB biogenic COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)c2ccc(F)cc2)cc1OC 2648456 IGKYQZVOBGXSOK-UHFFFAOYSA-N 444.484 3.677 0 40 IHAB COc1cc(OC)c(C(=O)O[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC 3351935 DIKNNCDERCEXEP-NSHDSACASA-N 427.375 3.915 0 40 IHAB CC(C)OC(=O)[C@H]1[C@@H](c2ccc(C(C)(C)C)cc2)[C@@H](C(=O)OC(C)C)C(=O)C[C@]1(C)O 4112342 UTHOPROUGTUCHE-HULNYRCFSA-N 432.557 3.927 0 40 IHAB CCCCNC(=S)N(Cc1ccco1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O 6149815 SCWIUMOZPYDJIJ-UHFFFAOYSA-N 429.542 3.815 0 40 IHAB COc1ccc(NC(=O)N(Cc2cc3cc(OC)ccc3[nH]c2=O)C[C@@H]2CCCO2)cc1 8681748 MPGZBWQAZCJJJT-NRFANRHFSA-N 437.496 3.758 0 40 IHAB O=C(CN[C@@H](c1ccccc1)c1cccs1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 8749956 GWMQWUGQVCYKFL-VWLOTQADSA-N 449.576 3.500 0 40 IHAB CCc1nnc2n1N[C@@H](c1ccc(OC)cc1)[C@H](C(=O)Nc1ccccc1Cl)S2 9197218 FZHAKYCOUQIITQ-ZWKOTPCHSA-N 429.933 3.900 0 40 IHAB CNS(=O)(=O)c1ccc(CNc2ncnc3cc(-c4ccc(OC)cc4)sc23)s1 9216694 YJIZHXKJHLSNJU-UHFFFAOYSA-N 446.579 3.949 0 40 IHAB CCOc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc(Cl)c3C)CC2=O)cc1 9233557 PKQQAODCVDAOEV-OAHLLOKOSA-N 430.888 3.582 0 40 IHAB COc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3nc(C)c(C)s3)n2C)cc1OC 9289929 UHTVDGNYKAYAFD-LBPRGKRZSA-N 433.559 3.692 0 40 IHAB Cc1ccc(C(=O)OCC(=O)Nc2cccc(C)c2C)cc1S(=O)(=O)N1CCCCC1 9587804 ONAFNAYCWPKCGL-UHFFFAOYSA-N 444.553 3.582 0 40 IHAB O=C1Nc2ccccc2O[C@H]1CC(=O)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 9670674 AVIZYOKJBRKSQC-SFHVURJKSA-N 438.871 3.671 0 40 IHAB Cc1ccc(C)c(N(CC(=O)Nc2ccc(Cl)cc2Cl)S(=O)(=O)N(C)C)c1 9694869 VXMKFQCYTRFCOK-UHFFFAOYSA-N 430.357 3.862 0 40 IHAB COc1cccc(-c2nc(CC(=O)Nc3cccc(C(=O)NC4CC4)c3)cs2)c1OC 9713236 UTKZJILVGGQYQU-UHFFFAOYSA-N 437.521 3.901 0 40 IHAB O=S(=O)(Nc1cccc(-c2ccc3nncn3n2)c1)c1ccc(F)c(C(F)(F)F)c1 9829202 HBCLRSOXJPBCLU-UHFFFAOYSA-N 437.378 3.750 0 40 IHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 10216705 JEIKQWZIYXMNNQ-AWEZNQCLSA-N 430.888 3.713 0 40 IHAB COC[C@H](C)NC(=O)c1ccc(CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 10357719 VAYKVMHJBKVCSW-ZDUSSCGKSA-N 445.368 3.724 0 40 IHAB CC(C)N(Cc1cccc(OC[C@H](O)CN2CCc3ccccc3C2)c1)Cc1nccn1C 11663926 DKOQHFRKOQNOGJ-RUZDIDTESA-N 448.611 3.629 0 40 IHAB COc1cccc(OC[C@H]2[C@H]3CC[C@H](C3)N2C(=O)c2cc(OC)c(OC)c(OC)c2)c1 12085300 JAVAMLPZBFIAOI-VPWXQRGCSA-N 427.497 3.793 0 40 IHAB c1cnc(Sc2ccc(CN3CCC4(CC3)Nc3ccccc3C3=NCCN34)o2)nc1 12086112 HVJKZWCVWYCTQY-UHFFFAOYSA-N 432.553 3.701 0 40 IHAB CC1CCN(S(=O)(=O)c2cc(C(=O)Nc3ccccn3)ccc2Br)CC1 12536759 CDLQPFNUHFBKPC-UHFFFAOYSA-N 438.347 3.517 0 40 IHAB COc1ccc([C@H](CNC(=O)CCNC(=O)c2ccco2)c2c[nH]c3ccccc23)cc1 12762054 YCSAWTBIBHQETI-FQEVSTJZSA-N 431.492 3.838 0 40 IHAB COc1ccc(C(=O)N[C@@H](C(=O)NC[C@@H](c2ccccc2Cl)N(C)C)C(C)C)cc1 12768078 DOKZGVBGPQDYRE-LEWJYISDSA-N 431.964 3.522 0 40 IHAB O=C(NC1CCCCC1)[C@@H](c1ccncc1)N(Cc1ccccc1)C(=O)c1csnn1 12871659 TXCAMFSHEWQMHM-OAQYLSRUSA-N 435.553 3.766 0 40 IHAB Cc1ccccc1CCN(C(=O)c1csnn1)[C@H](C(=O)NC1CCCC1)c1ccncc1 12872672 OODMPEVVDTZJIN-QFIPXVFZSA-N 449.580 3.727 0 40 IHAB Cc1ccc(S(=O)(=O)NCCC(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 12873662 JYSFQCXKHHKMKA-UHFFFAOYSA-N 443.594 3.679 0 40 IHAB Cc1cc(C)c(NC(=O)CN(C)C(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)c(C)c1 12998685 RFNMPZZSNLWPAL-IBGZPJMESA-N 441.959 3.711 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccc3c(c2)OCO3)c1 13148326 NGEBVSHCYNTKJR-UHFFFAOYSA-N 438.505 3.763 0 40 IHAB COc1ccc(OC)c([C@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccccc2)c1 13757799 QODSFRKLSWYKOD-SGNDLWITSA-N 444.487 3.751 0 40 IHAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(CCC(C)C)C3=O)c1C 14128540 VOLQYRHYBOOTSP-UHFFFAOYSA-N 438.480 3.516 0 40 IHAB Cc1nc(N2CCN(CC(=O)N3CCCCC3)CC2)c2c(-c3cccs3)csc2n1 14190732 ARFNEOBPSJOOFB-UHFFFAOYSA-N 441.626 3.863 0 40 IHAB Cc1nc(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)nn1-c1ccc(F)cc1 15192528 VAOVXPAPKZLESW-UHFFFAOYSA-N 437.456 3.862 0 40 IHAB COc1ccc(OC)c(N2CC(=O)N(c3ccccc3OC)[C@H](c3ccsc3)C2=O)c1 15413460 PWQJPGFOHCJXJY-JOCHJYFZSA-N 438.505 3.895 0 40 IHAB CCOC(=O)c1ccc(N2CCN(CC)CC2)c(NC(=O)Cc2ccc(Cl)cc2)c1 16681608 UZNOAKHXQFUAJL-UHFFFAOYSA-N 429.948 3.840 0 40 IHAB COc1ccc(OC[C@@H](O)Cn2c([C@@H]3CC(=O)N(C(C)(C)C)C3)nc3ccccc32)cc1 16903072 JDNPASRPBICMKE-MSOLQXFVSA-N 437.540 3.599 0 40 IHAB C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)c1ccc2c(c1)OCCO2 18891798 NMXQRSNCKKEYMH-QGZVFWFLSA-N 444.553 3.514 0 40 IHAB O=C(c1ccccc1F)N1CCCC[C@@H]1c1nc(O)c2c(n1)CN(Cc1ccncc1)CC2 19347563 INLSPQUMPBMTNL-JOCHJYFZSA-N 447.514 3.642 0 40 IHAB CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)[C@@H]2CCCCO2)C1 19448743 JZDBTRBRGKZLAN-RPLLCQBOSA-N 449.595 3.994 0 40 IHAB CCN1CCN(C(=O)c2cn(C)cn2)C[C@H](Cc2ccccc2-c2ccc(C)cc2)C1=O 19527621 XBSHLRZRJGOKLK-QFIPXVFZSA-N 430.552 3.559 0 40 IHAB Cc1nc(C)c(C(=O)N[C@@H](Cc2cc(=O)[nH]c(-c3cccnc3)n2)c2ccccc2)s1 19560233 VIAMUGZSYRXMNE-IBGZPJMESA-N 431.521 3.619 0 40 IHAB CN(C)C(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCCN(C(=O)c2cnccn2)C1 19579435 FVIXNFJERWHKHB-AREMUKBSSA-N 428.536 3.697 0 40 IHAB NC(=O)c1sc2ccccc2c1[C@@H]1CN(C(=O)CCCOc2ccccc2F)CCO1 19697935 GVQDPZAQJBSKDK-SFHVURJKSA-N 442.512 3.898 0 40 IHAB Cc1nc([C@H]2CCCCN2CC(=O)N(Cc2ccccc2)C(C)C)nc2c1CCC(=O)N2C 19741135 BZGJIFNHIYKVFS-JOCHJYFZSA-N 449.599 3.658 0 40 IHAB CNc1cc(CN(C)C(=O)C2(c3ccc(C)cc3)CCCC2)nc([C@H]2CCCN2C(C)=O)n1 19759806 MVLWLCGYBOBSFU-JOCHJYFZSA-N 449.599 3.981 0 40 IHAB CCOC(=O)c1ccc(NC(=O)c2nnn(-c3ccc(OC(F)F)cc3)c2CC)cc1 19911142 LLERMDDNTQRRDD-UHFFFAOYSA-N 430.411 3.860 0 40 IHAB CCOc1ccc(N2C(=O)C[C@@H](NCCCN3CCC(Cc4ccccc4)CC3)C2=O)cc1 20176548 RDGCKXWYERWUKS-RUZDIDTESA-N 449.595 3.652 0 40 IHAB O[C@H](CSc1ccc(Br)cc1)CN1CCN(c2ccc(F)cc2)CC1 20385142 XAYBQMQZNGGYMG-SFHVURJKSA-N 425.367 3.863 0 40 IHAB COC(=O)c1ccccc1NC(=O)CSc1nc(COc2ccc(Cl)cc2)n[nH]1 21112901 KNCCVXCRKWJNEH-UHFFFAOYSA-N 432.889 3.555 0 40 IHAB CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)OCc1nc(-c2ccccc2)no1 21279065 DACIOCSJQWTCMT-KRWDZBQOSA-N 445.928 3.985 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)O[C@H](C)C(=O)NC(C)(C)C)c1 21601544 VWZFSGKUOOZRRX-MRXNPFEDSA-N 432.542 3.564 0 40 IHAB Nc1nnnn1NCc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 22111685 PUGQKOKYEJEFLI-UHFFFAOYSA-N 444.120 3.647 0 40 IHAB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1)NCc1ccc(F)cc1 22396915 SQSYWHIDQPVIOF-UHFFFAOYSA-N 434.439 3.616 0 40 IHAB CCOc1cccc(CNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)c1 22525339 ABPJFSCGHXLUSL-UHFFFAOYSA-N 436.961 3.843 0 40 IHAB CCn1c(C)cc(O)c([C@H](c2ccccc2Cl)N2CCN(c3ccccn3)CC2)c1=O 22696988 IJOSRYPNQLHYJV-QHCPKHFHSA-N 438.959 3.842 0 40 IHAB COc1ccc(CN2CCN([C@H](C)c3nnc(-c4ccc(F)cc4)o3)CC2)cc1OC 22925470 HDNDPLZESNLWHH-MRXNPFEDSA-N 426.492 3.772 0 40 IHAB C[C@@H](NC(=O)[C@@H](C)N1CCN(Cc2ccc(Br)s2)CC1)c1ccccc1 22930668 HODJKOCWVNLJJR-HZPDHXFCSA-N 436.419 3.894 0 40 IHAB Cc1cc(S(=O)(=O)NCc2cccc(NC(=O)C(C)C)c2)ccc1Br 24451645 FYTXNBFDSOFBBQ-UHFFFAOYSA-N 425.348 3.831 0 40 IHAB COc1cc(C(=O)N2CCCc3cc(C(F)(F)F)ccc32)cc(Cl)c1OCC(N)=O 24472726 OBUHBKFSQRIDJJ-UHFFFAOYSA-N 442.821 3.825 0 40 IHAB O=C(CNc1cc2c(cc1Cl)OCCCO2)Nc1cc(Cl)ccc1-n1cncn1 29936708 RSZDHQDEGSSRFB-UHFFFAOYSA-N 434.283 3.786 0 40 IHAB O=C(N[C@@H](Cc1ccccc1)C(=O)NCCCn1cccn1)c1ccc(Cl)cc1Cl 30169741 WRYAYAFPFYELBX-FQEVSTJZSA-N 445.350 3.738 0 40 IHAB C[C@@H]1Cc2cc(C(=O)N3CCC[C@@H]3c3nc4ccccc4s3)ccc2N1S(C)(=O)=O 31390613 SUIUKDOCRYHHKO-AUUYWEPGSA-N 441.578 3.984 0 40 IHAB O=C(c1ccccc1)N1CCC(NC(=O)C2(c3ccc4c(c3)OCCO4)CCCC2)CC1 32796560 SECMRKNJFGHZHU-UHFFFAOYSA-N 434.536 3.691 0 40 IHAB O=C(CCCn1c(=O)oc2ccccc21)NC[C@@H](c1ccccc1Cl)N1CCCC1 32988522 KRCBYBIMAZFHCF-FQEVSTJZSA-N 427.932 3.981 0 40 IHAB CCS(=O)(=O)Nc1ccc(-c2nnc(SCCC(=O)Nc3cccc(C)c3)o2)cc1 34791458 OVRVUTRULJIMAA-UHFFFAOYSA-N 446.554 3.928 0 40 IHAB COc1ccc(NC(=O)[C@H]2Sc3nc(O)sc3[C@@H]3c4ccccc4OC(=O)[C@@H]23)cc1 35053018 HAZYMJSCSVRNRK-OAGGEKHMSA-N 440.502 3.637 0 40 IHAB COc1c([C@H]2CC(=O)Nc3c2ncn3-c2cccc(Cl)c2)cc2c(c1OC)OCO2 35324423 LMKBZHRNLRTSBZ-CYBMUJFWSA-N 427.844 3.746 0 40 IHAB Cc1cc(C)c2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2[C@H]2CCCN21 35843322 YPHXLCSUUWHSJE-YASKCIBGSA-N 449.938 3.696 0 40 IHAB Cc1c2c(C(F)(F)F)cc(=O)n(CCC(=O)Nc3ncc(Cl)cc3Cl)c2nn1C 36621453 XGEPPLPYGUXOBO-UHFFFAOYSA-N 448.232 3.793 0 40 IHAB O=C1C[C@@H](C(=O)Nc2ccccc2)c2c(nc(Nc3cc(Cl)cc(Cl)c3)[nH]c2=O)N1 40399435 SKPQBTHMHDKWIY-CQSZACIVSA-N 444.278 3.885 0 40 IHAB CC[C@@H](C)NC(=O)C1CCN(c2nc3c(-c4ccccc4F)csc3c(=O)[nH]2)CC1 49421049 FEPYSBSYGRMNNP-CYBMUJFWSA-N 428.533 3.922 0 40 IHAB CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(Br)o3)cc2)CC1 57317099 PDHVUUDTLRGHAQ-UHFFFAOYSA-N 434.334 3.989 0 40 IHAB Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc(C)c(F)c3)c2=O)cc1C 57491166 BAZXHBBNCHPOBZ-UHFFFAOYSA-N 437.496 3.917 0 40 IHAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)N1CCC[C@H](N2CCCC2)C1 58289445 DGEQSYKBYKMGAO-KRWDZBQOSA-N 426.483 3.634 0 40 IHAB O=C(NCc1ccc(F)cc1)c1nccnc1C(=O)Nc1cccc(OCC(F)(F)F)c1 60365742 HKAOYSXATAHCCT-UHFFFAOYSA-N 448.376 3.739 0 40 IHAB CC(=O)Nc1c(C)cccc1-c1nnc(SCC(=O)Nc2cccc(C)c2C)nc1O 64774865 NDXZBXYAOKNIJH-UHFFFAOYSA-N 437.525 3.859 0 40 IHAB CCCc1nc2c3cc(OC)c(OC)cc3n(Cc3ccc(F)cc3Cl)c(=O)n2n1 65535045 ASJPGFWDIXHJGM-UHFFFAOYSA-N 430.867 3.855 0 40 IHAB CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)c3c(C)oc(C)c3Br)ccc21 72277385 XAYXINBMDLHMQG-GFCCVEGCSA-N 434.286 3.996 0 40 IHAB COc1ccc(CCn2cc(C(=O)N[C@H]3CCOC(C)(C)C3)c3ccccc3c2=O)cc1 72325392 HGHOPAFEWIOOHO-IBGZPJMESA-N 434.536 3.940 0 40 IHAB biogenic CCCn1cc(C(=O)N2CCC(c3cc(C(F)(F)F)n4nc(C)cc4n3)CC2)c(C)n1 72340823 XGJGZQNFYVNQFM-UHFFFAOYSA-N 434.466 3.991 0 40 IHAB CCCn1cc(S(=O)(=O)N2CCC[C@@H]2c2cccc(Nc3cccc(C)n3)n2)c(C)n1 72375821 OPEGCRUZUUVGPT-LJQANCHMSA-N 440.573 3.969 0 40 IHAB O=C(CN1CCC[C@H](Cc2cc(Nc3nccs3)ncn2)C1)Nc1ccccc1F 72383439 PORMJBKCZQLAMK-OAHLLOKOSA-N 426.521 3.709 0 40 IHAB O=C(CCS(=O)(=O)c1ccccc1)N[C@H]1CCC[C@H](OC(=O)Nc2ccccc2)C1 77200208 ADMDZWIYLYWXLJ-OALUTQOASA-N 430.526 3.527 0 40 IHAB COC(=O)CCC1CCN(C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)CC1 95452719 SGFRUBZKKJVNNB-QHCPKHFHSA-N 444.597 3.680 0 40 IHAB CC[C@@H](NC(=O)Nc1cc(Br)cn(C)c1=O)c1nc(-c2ccccc2)c[nH]1 95460980 KPVQOPCFRUDTKV-CQSZACIVSA-N 430.306 3.811 0 40 IHAB CCOC(=O)c1cc(S(=O)(=O)N(Cc2ccc(CC)cc2)Cc2cccnc2)cn1C 95940392 YGSLJGOGDKSTJA-UHFFFAOYSA-N 441.553 3.550 0 40 IHAB CS(=O)(=O)N1CCc2cc(C(=O)N3[C@@H]4CC[C@@H]3CC(c3ccc(F)cc3)C4)ccc21 100166640 UZXQNYIHIAWJJJ-NHCUHLMSSA-N 428.529 3.699 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)c2ccc(Cl)cc2)cc1 100234042 QVTVCVYFQLXHOQ-WHSLLNHNSA-N 448.972 3.849 0 40 IHAB Cc1ccccc1NC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 102086391 YYCNDNTZYYMKCN-LBYRQTAISA-N 426.516 3.598 0 40 IHAB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 102127721 RWFJAVPDHDAJDC-SFTDATJTSA-N 431.488 3.549 0 40 IHAB CCc1cc(Br)cc(CC)c1NC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 102531536 VDEVQVGBIMVFHA-USJZOSNVSA-N 433.346 3.544 0 40 IHAB CCn1c(S)nc2cc(C(=O)N[C@@H](C)c3cccc(Br)c3)ccc2c1=O 103062748 SDSNQKGPKNOMFF-NSHDSACASA-N 432.343 3.959 0 40 IHAB CCc1ccc(N([C@H](C)C(=O)NCCSCc2cccc(C)c2)S(C)(=O)=O)cc1 220271718 DJLXPZBWJVGGAK-GOSISDBHSA-N 434.627 3.762 0 40 IHAB COc1ccc(C)cc1N([C@H](C)C(=O)Nc1ccccc1C(F)(F)F)S(C)(=O)=O 220334155 NPEXKVWUJKDQBZ-CYBMUJFWSA-N 430.448 3.816 0 40 IHAB CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)COc1ccc(OC)cc1 222562141 RBTWXPCIKQPRQI-CVDCTZTESA-N 426.557 3.839 0 40 IHAB CCCCNS(=O)(=O)c1ccc(OCC(=O)N(C)c2ccc(F)cc2)c(Cl)c1 222843370 BIUIECCYYDBZDE-UHFFFAOYSA-N 428.913 3.599 0 40 IHAB COc1ccc(C(=O)N(C)Cc2ccccc2F)cc1S(=O)(=O)NCc1ccccc1 222906280 AJXAHGNTZQDOPN-UHFFFAOYSA-N 442.512 3.585 0 40 IHAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1OC 223945868 NNKPXRUBINXCKN-NRFANRHFSA-N 442.556 3.806 0 40 IHAB CCOC(=O)c1cc(N(CC)S(=O)(=O)c2ccc3c(c2)OCCO3)ccc1Cl 224844759 ZWNLVWRZBGFAKH-UHFFFAOYSA-N 425.890 3.503 0 40 IHAB COc1ccc([C@@H](CC(=O)NC(c2ccccc2)c2ccccc2)NS(C)(=O)=O)cc1 225957677 XVKKILZQOKUOPM-JOCHJYFZSA-N 438.549 3.581 0 40 IHAB Cc1cc(Nc2nc(C)c(C)s2)cc([C@@H]2CCN(S(=O)(=O)c3c(C)noc3C)C2)n1 257213178 CGLZRUBEUKSUSJ-MRXNPFEDSA-N 447.586 3.990 0 40 IHAB C[C@H]1CCCN(c2cc(N3CCCC[C@@H]3C)nc(NC(=S)NCc3cccnc3)n2)C1 260717700 PCRCNOAYMGOFDH-ROUUACIJSA-N 439.633 3.973 0 40 IHAB Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)NCc1ccccc1Cl 408561727 KOPMLXVPOIGCBL-UHFFFAOYSA-N 436.961 3.518 0 40 IHAB COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)c1 408588432 GFAZERMFCUITQT-UHFFFAOYSA-N 426.494 3.822 0 40 IHAB CCOc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 408627460 ZVDJMKXEQHJLBQ-UHFFFAOYSA-N 432.542 3.668 0 40 IHAB COc1ccccc1NC(=O)COC(=O)CCCC(=O)Nc1ccc(Br)cc1 408665358 LMNPELYNBQIWAS-UHFFFAOYSA-N 449.301 3.748 0 40 IHAB Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)ccc1N1C(=O)CCCC1=O 408674314 ZBMKDNZNSHRYFQ-OAHLLOKOSA-N 440.883 3.650 0 40 IHAB CN(C)c1ccc(NC(=O)c2ccc(N3C(=O)c4nc5ccccc5nc4C3=O)cc2)cc1 408975809 NUTRTJHZGOISJY-UHFFFAOYSA-N 437.459 3.749 0 40 IHAB O=C(COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)NCCC1=CCCCC1 409128411 FLHRYUBYLJPIGE-UHFFFAOYSA-N 442.581 3.593 0 40 IHAB CC(C)Cc1cc(C(=O)N2CCCCNC(=O)c3cc(Cl)ccc3OCCC2)n(C)n1 643558213 LVJDEEBDTCBBHV-UHFFFAOYSA-N 446.979 3.707 0 40 IHAB COc1cccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCc4ccncc4)c3n2)c1 883757 CTKGFCHINYWDMB-UHFFFAOYSA-N 427.386 3.749 0 40 IHAB COc1ccc(CN(C(=O)c2ccccc2)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2=O)cc1 1301419 CGEOFMBZFRAORS-HSZRJFAPSA-N 444.487 3.678 0 40 IHAB COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(C)c(C)c3)C2)cc1 1463575 HQLZRCFNUOCUHX-KRWDZBQOSA-N 445.541 3.521 0 40 IHAB CCCCOc1ccc(-c2nc3s/c(=C\c4ccc(OC)cc4OC)c(=O)n3n2)cc1 2335670 JOEHLUBSYUWTBE-MOSHPQCFSA-N 437.521 3.562 0 40 IHAB O=C(/C=C/c1ccc(S(=O)(=O)N2CCCCCC2)cc1)Nc1nnc(C2CC2)s1 2617805 OILZBZGCKWANFI-KPKJPENVSA-N 432.571 3.632 0 40 IHAB CCCOC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 2629122 XOXYJKZLHRUBKZ-UHFFFAOYSA-N 430.526 3.680 0 40 IHAB Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCc4ccccc4C3)C2=O)c(C)n1Cc1cccs1 3342114 LNPARMFAKAUOQY-RUZDIDTESA-N 447.560 3.877 0 40 IHAB CC(C)[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)OCC(=O)c1c[nH]c2ccccc12 3450134 HWNMEVNKAZUGIL-GNNUASRNSA-N 440.521 3.509 0 40 IHAB O=C1[C@H]2C3c4ccccc4C(Br)(c4ccccc43)[C@H]2C(=O)N1Cc1cccnc1 8449606 APYWSEPQFKBQQR-CAZKKTPXSA-N 445.316 3.980 0 40 IHAB O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1cccc(CN2CCCC2=O)c1 8733797 QBPAGXOROJVCEQ-UHFFFAOYSA-N 436.537 3.508 0 40 IHAB CN1CC(=O)N(CCCC(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)C1=O 8749777 HCKQABYIGZHCIQ-UHFFFAOYSA-N 446.301 3.854 0 40 IHAB CCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CCC)cc1 8840587 SXLHLXLCPMVHDW-UHFFFAOYSA-N 429.542 3.915 0 40 IHAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1cc(Cl)ccc1Cl 9284308 XBTVLXWFIUELMD-UHFFFAOYSA-N 449.381 3.983 0 40 IHAB O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)Nc1ccc(-c2nccs2)cc1 9462620 SWMDAIYLQHNTGH-HSZRJFAPSA-N 432.505 3.532 0 40 IHAB O=C(CSc1nnnn1-c1ccc(Cl)cc1)NCC1(N2CCCCC2)CCCCC1 9596264 IWCDGATXUZDSJN-UHFFFAOYSA-N 449.024 3.713 0 40 IHAB CCOc1ccc(CCNC(=O)COC(=O)c2cc3c(s2)CCCC3)cc1OCC 9670313 FLCHEGKOKLUUSM-UHFFFAOYSA-N 431.554 3.940 0 40 IHAB C[C@H](Sc1nnc(NCc2ccco2)s1)C(=O)Nc1ccc(N2CCOCC2)cc1 9789334 IWKKYHKQASADGU-AWEZNQCLSA-N 445.570 3.699 0 40 IHAB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCC#N 9972866 PGRYOFAYXGEYLT-MDWZMJQESA-N 446.246 3.571 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(C(F)(F)F)cc3)C2)cc1 9974477 CCKKWCWXVMOQDS-CQSZACIVSA-N 442.459 3.753 0 40 IHAB CCOc1ccccc1-c1noc(Cn2cnc3ccc(Br)cc3c2=O)n1 10203546 WXPYEXYXNPADTN-UHFFFAOYSA-N 427.258 3.656 0 40 IHAB COc1ccc(-n2ccnc(SCC(=O)Nc3ccc(OC)c(Cl)c3)c2=O)cc1 10272598 PNPGDFFLXVOYPS-UHFFFAOYSA-N 431.901 3.634 0 40 IHAB COC(=O)c1cccc(NC(=O)CCCN(c2cc(Cl)ccc2C)S(C)(=O)=O)c1 10334575 VQWBQQXPSZZMDM-UHFFFAOYSA-N 438.933 3.620 0 40 IHAB O=C(c1ccccc1C(F)(F)F)N1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O 11694051 BKRPGAJBLPXCOQ-UHFFFAOYSA-N 449.404 3.571 0 40 IHAB COc1cc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(OC)cc1C 12420588 CVSFLKGCNRZPDE-UHFFFAOYSA-N 444.475 3.542 0 40 IHAB COCCCn1c(SCC(=O)N[C@H]2CCCC[C@@H]2C)nc2sc3c(c2c1=O)CCC3 12498500 KGGGEIASOYSFQO-HOCLYGCPSA-N 449.642 3.770 0 40 IHAB O=C(NCc1ccccc1)[C@@H](c1ccco1)N(C(=O)c1csnn1)c1ccccc1F 12870039 IBOHGMZACRSQLS-HXUWFJFHSA-N 436.468 3.975 0 40 IHAB COc1ccc(C)cc1CN(C)CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 12915549 RIFNJNOKRVTEOE-UHFFFAOYSA-N 433.434 3.674 0 40 IHAB Cc1sc2nc([C@H]3S[C@](c4ccccc4)(C(F)(F)F)NC3=O)[nH]c(=O)c2c1C 12946255 HAMZKWOORWGIQF-SJKOYZFVSA-N 425.457 3.921 0 40 IHAB COc1ccccc1COC[C@H](O)Cn1nc(-c2ccc(F)cc2)c2ccccc2c1=O 12996529 JFEZCEDUOUPBOQ-HXUWFJFHSA-N 434.467 3.789 0 40 IHAB C/C=C/C(=O)N1CCC[C@H](c2nc(O)c3nnn(Cc4c(Cl)cccc4Cl)c3n2)C1 13083606 UWZQRPQECFXMEE-PWFBRDGFSA-N 447.326 3.564 0 40 IHAB CSc1cccc(N2C[C@H](C(=O)OCC(=O)Nc3c(C)cc(C)cc3C)CC2=O)c1 13121088 ORPUAQORJQBGPA-QGZVFWFLSA-N 426.538 3.869 0 40 IHAB COc1ccc(C(=O)[C@H](CC[C@H](CN(C)C)C(=O)c2ccc(OC)cc2)CN(C)C)cc1 13511774 UTLTYRQDCPGJCP-FGZHOGPDSA-N 440.584 3.905 0 40 IHAB COc1ccc([C@@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccccc2)n3C)c(OC)c1 13567463 OZWMNMUIJJUWKJ-KRWDZBQOSA-N 437.521 3.564 0 40 IHAB COC(=O)[C@@H](N[C@@H]1C2=C(CCCC2)C(=O)N1C1CCCCC1)c1ccc(OC)c(OC)c1 13898828 NVIRVLKCEMVQSW-GOTSBHOMSA-N 442.556 3.879 0 40 IHAB COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)N[C@@H](C)c1cccs1 14602972 XQDAAQLQZKNEPQ-HNNXBMFYSA-N 442.562 3.999 0 40 IHAB O[C@@H]1C[C@@H](c2nc(-c3ccc4c(c3)OCO4)no2)N(Cc2ccc(C(F)(F)F)cc2)C1 15675000 AKRNTWHQWYDBEE-CVEARBPZSA-N 433.386 3.792 0 40 IHAB biogenic,in-vitro C[C@@H](OC(=O)c1ccccc1NCc1ccco1)C(=O)N1CCN(c2ccccc2)CC1 16751129 JFYWNJNAAPJASS-LJQANCHMSA-N 433.508 3.786 0 40 IHAB CN1CCN(c2ccc(NC(=S)NC(=O)c3cc4ccccc4o3)cc2Cl)CC1 17096247 IFGBTZNEVYMRDN-UHFFFAOYSA-N 428.945 3.965 0 40 IHAB CCc1nnc2sc(-c3ccc(NC(=S)NC(=O)/C=C/c4ccco4)c(C)c3)nn12 17102353 FDRUQVBPLMHADS-VQHVLOKHSA-N 438.538 3.843 0 40 IHAB Cc1cccc(-c2nc3scc(CCNS(=O)(=O)c4cc(C)ccc4C)n3n2)c1 17135548 SNCYYFJVMSXXKH-UHFFFAOYSA-N 426.567 3.904 0 40 IHAB Cc1nc2ccccc2c(C)c1CC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O 17360346 ISHMZRYVYQLZCB-UHFFFAOYSA-N 439.537 3.523 0 40 IHAB CC(=O)N1CCCc2cc([C@@H](O)CN3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc21 19017796 BFYFUCIXTTYJIJ-QHCPKHFHSA-N 447.501 3.860 0 40 IHAB O=C(c1ccccc1F)N1CCCC[C@H]1c1nc(O)c2c(n1)CN(Cc1ccncc1)CC2 19347561 INLSPQUMPBMTNL-QFIPXVFZSA-N 447.514 3.642 0 40 IHAB COc1ccccc1C(=O)NCc1ccc(-c2ccnc3nc(C(F)(F)F)nn23)cc1 19569018 XUYIUTOFASBZTQ-UHFFFAOYSA-N 427.386 3.749 0 40 IHAB COc1ccccc1CC(=O)N1CC[C@@](Cc2ccccc2-c2ccccc2)(C(N)=O)C1 19569432 DUKWXDMVPZXAPC-MHZLTWQESA-N 428.532 3.851 0 40 IHAB CCn1cncc1C(=O)N1CCc2nc(-c3cccnc3)nc(Nc3cccc(F)c3)c2C1 19578454 HNDIEOQKZFAGDG-UHFFFAOYSA-N 443.486 3.836 0 40 IHAB CNC(=O)C1(Cc2ccc(-c3cccc(C)c3)cc2)CCN(C(=O)c2cnccn2)CC1 19700529 ZUFLTEPFYDIQHJ-UHFFFAOYSA-N 428.536 3.663 0 40 IHAB CN(Cc1cccc(-c2cccc(F)c2)c1)Cc1nc([C@@H]2CC(=O)N(C)C2)cc(N(C)C)n1 19700941 IPJOXSLICOCKCX-OAQYLSRUSA-N 447.558 3.926 0 40 IHAB Cc1nc(C2CCN(CC(=O)Nc3ccccc3F)CC2)nc2c1CCCN2CC1CC1 19706677 FTGWSCDJMDGFGJ-UHFFFAOYSA-N 437.563 3.905 0 40 IHAB Cc1ccc(CC(=O)N2CC[C@@H](c3ccnc4c(Cn5ccnc5C)c(C)nn34)C2)cc1C 19707632 SEXNLSUVDIIQEZ-JOCHJYFZSA-N 442.567 3.766 0 40 IHAB Cc1nc([C@@H]2CCCN2C(=O)c2cccc(OCc3ccc(F)cc3)c2)ncc1C(N)=O 19755197 OKNKYZPSJDHLRI-NRFANRHFSA-N 434.471 3.579 0 40 IHAB O=C(C[C@@H]1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21)Nc1ccc(F)c(F)c1 19817680 QUELYDGIJMNPJF-HXUWFJFHSA-N 433.418 3.826 0 40 IHAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccccc3Cl)cc2)n1 20454242 IZNWQKBUGOTPRO-AWEZNQCLSA-N 446.916 3.645 0 40 IHAB CCOc1ccc(CCC(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1OCC 20487535 JKRALIOEBCMYSK-LJQANCHMSA-N 440.540 3.964 0 40 IHAB COc1cccc(-c2nc(CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)O)cs2)c1 20744380 QXZVNRAIXNWVPT-FQEVSTJZSA-N 435.505 3.655 0 40 IHAB O=C(N[C@H](CC(=O)N1CCN(Cc2ccccc2)CC1)c1ccccc1)c1ccccc1 21005046 WSLWGRMDBIAALD-RUZDIDTESA-N 427.548 3.892 0 40 IHAB CS(=O)(=O)N(CC(=O)NCCCc1ccc(F)cc1)c1ccc(Cl)cc1Cl 22365999 NMGHLHGXVUBMGJ-UHFFFAOYSA-N 433.332 3.648 0 40 IHAB COc1ccc(NC(=O)c2ccc(NC(=O)CCn3c(=O)oc4ccccc43)cc2)cc1 22865837 IMGHVVHQKVZXQY-UHFFFAOYSA-N 431.448 3.884 0 40 IHAB NC(=O)CCn1c(SCC(=O)c2cc(Cl)sc2Cl)nnc1-c1ccco1 22868942 HIOXAPLICBTODT-UHFFFAOYSA-N 431.326 3.757 0 40 IHAB CN1CCN(C2(CNC(=O)c3ccc4nc(-n5cccc5)sc4c3)CCCCC2)CC1 22935505 IVQLJYXQYZXHRH-UHFFFAOYSA-N 437.613 3.767 0 40 IHAB Cc1cc(OCCCC(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)ccc1Cl 23010868 SZIYHAMHMLMSKV-UHFFFAOYSA-N 445.947 3.717 0 40 IHAB O=C(CSc1nnc(N2CCN(c3ccccc3)CC2)s1)OCc1ccccc1 23140131 SWOCIUQXOXAFLP-UHFFFAOYSA-N 426.567 3.700 0 40 IHAB O=C(CCC(=O)c1ccc2c(c1)OCCO2)OCc1noc(-c2ccccc2Cl)n1 23944412 RQWNHUZXPKXRSS-UHFFFAOYSA-N 428.828 3.868 0 40 IHAB Cc1ccccc1[C@@H](OC[C@@H](O)Cn1c(CC(N)=O)nc2ccccc21)c1ccccc1 25265807 DQMGHLXEJCVLEK-FNZWTVRRSA-N 429.520 3.540 0 40 IHAB O=C(Nc1cccc(OC(F)(F)F)c1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 31031286 TTWAPTFRFBLQGK-QGZVFWFLSA-N 428.432 3.767 0 40 IHAB COc1ccccc1N1C[C@@H](C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)CC1=O 32721396 MVFCYSPGXLZFIO-RBUKOAKNSA-N 436.508 3.573 0 40 IHAB Cc1ccc([C@](O)(CCNC(=O)NC2CCN(Cc3ccccc3)CC2)C(F)(F)F)o1 32779441 CHHUFPVZAOQIDT-OAQYLSRUSA-N 439.478 3.692 0 40 IHAB O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2CCCN12 35848298 YMMCMGWBBRTWFX-MKXGPGLRSA-N 429.303 3.829 0 40 IHAB Cc1sc2nc(CSCC(=O)Nc3ccc4oc(=O)ccc4c3)[nH]c(=O)c2c1C 36358314 FQHLTPQFNMDVEU-UHFFFAOYSA-N 427.507 3.580 0 40 IHAB CC[C@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(Cl)c1Cl)C(=O)OC 36584199 ZRFGYEOLMPCITA-PBQZTSCYSA-N 439.343 3.961 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2)cc1 43919386 HTBUUGWBARHVJB-UHFFFAOYSA-N 435.549 3.758 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CSCc1ccccc1C 44904629 UWTSRVWQZDZOTQ-UHFFFAOYSA-N 434.583 3.660 0 40 IHAB O=C(CCS(=O)(=O)C1CCCC1)NCc1ccc(CN2CCc3ccccc32)cc1 48312672 UQGGBMKLMLCECQ-UHFFFAOYSA-N 426.582 3.613 0 40 IHAB CCc1nnc2ccc(S(=O)(=O)N(Cc3ccc(OC)c(F)c3)c3ccccc3)cn12 49408220 BCVKWKZEIKUASF-UHFFFAOYSA-N 440.500 3.835 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)Cc1ccc(C(=O)NCc2ccc(F)cc2)o1 51317340 QMYGZBOCWMTIJP-UHFFFAOYSA-N 437.876 3.985 0 40 IHAB CCC[C@@H](c1nnnn1Cc1ccc2c(c1)OCO2)N1CCN(c2cccc(C)c2C)CC1 57671355 FBUYMLBHQUYIHJ-QFIPXVFZSA-N 448.571 3.730 0 40 IHAB CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cc(OC)cc(OC)c2)cc1 59288992 CQEKMZQKJRBZLD-GOSISDBHSA-N 432.542 3.909 0 40 IHAB CCOC(=O)c1cnn(-c2ccc(C(=O)NCCc3cccc(O)c3)cc2)c1C(F)(F)F 60330383 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O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)N(Cc1ccncc1)C1CC1 79015073 ZFURYAYVLZHRHI-UHFFFAOYSA-N 429.527 3.535 0 40 IHAB Cn1c(SCc2noc([C@H]3COc4ccccc4O3)n2)nnc1-c1ccccc1F 84307044 AYCALINEWCFNCR-MRXNPFEDSA-N 425.445 3.809 0 40 IHAB Cc1csc(SCC2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)CC2)n1 90608115 AEZATPXXUISZTO-INIZCTEOSA-N 433.574 3.974 0 40 IHAB CCOc1ccccc1NC(=O)Cn1cccc1-c1nc(-c2ccc3c(c2)OCO3)no1 98211497 XJRLMGQOPGAKHZ-UHFFFAOYSA-N 432.436 3.971 0 40 IHAB CCOc1ncc(C2(O)[C@@H]3CCC[C@@H]2CN(Cc2cccc4ncccc24)C3)c(OCC)n1 100149677 PGSQLUSPRJECJT-WOJBJXKFSA-N 448.567 3.942 0 40 IHAB CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)/N=c2\sc3ccccc3n2C)cc1 100821209 LHUSZDQTPUOKGJ-LBNMDVIHSA-N 443.594 3.934 0 40 IHAB C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1)[C@H]1C[C@H]2CC[C@H]1C2 102364307 IMQYQOPEHMAFJJ-MRBHHPDMSA-N 438.593 3.988 0 40 IHAB CCn1c(S)nc2cc(C(=O)NCCc3ccc(Br)s3)ccc2c1=O 102692782 WRJCTNJAZCRDLW-UHFFFAOYSA-N 438.372 3.502 0 40 IHAB CC(=O)c1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)c1 216454131 TYPZYVVRSSPOIO-OAQYLSRUSA-N 428.554 3.502 0 40 IHAB CCc1ccc(OCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(Br)c1 218860861 RITNMCFYHSLJAY-UHFFFAOYSA-N 444.329 3.827 0 40 IHAB COc1cc(CNC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)ccc1OC(C)C 222558687 PLYBMPMDJDLBGQ-UHFFFAOYSA-N 448.585 3.653 0 40 IHAB Cc1cccc(CNC(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c1 222713848 FUYZPDJDHFLTLO-UHFFFAOYSA-N 428.485 3.630 0 40 IHAB CCOCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1 222994508 BXLKQVUUNFIBEW-FQEVSTJZSA-N 426.557 3.588 0 40 IHAB COc1ccc(CCNC(=O)c2cn3c4c(cc(Br)cc4c2=O)C[C@@H]3C)cc1 223103585 PZPUMFWDNFXEDH-ZDUSSCGKSA-N 441.325 3.862 0 40 IHAB OCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(C(F)(F)F)c1 223586272 OQURBSSLIKLRQJ-MOPGFXCFSA-N 432.471 3.856 0 40 IHAB Cc1ccc(OCCNC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)cc1Cl 224179072 RZLAWSCHQJQEJR-UHFFFAOYSA-N 442.940 3.529 0 40 IHAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N(C)Cc3ccco3)cc2C)cc1 224498511 KYYHHAYWDFBLAL-UHFFFAOYSA-N 428.510 3.694 0 40 IHAB CCOC(=O)CN(c1ccc(C(=O)OCC)cc1)S(=O)(=O)c1ccc2ccccc2c1 225048666 WEWHXVJSABULNB-UHFFFAOYSA-N 441.505 3.775 0 40 IHAB CCSc1nnc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)s1 225317654 SVVDXADMTFCKCQ-UHFFFAOYSA-N 448.595 3.793 0 40 IHAB CCN(CC)C(=O)CCc1c(C)nc2cc([C@H]3CCN(C(=O)C(C)(C)C)C3)nn2c1C 257218330 DCTGXQAENWZBTR-SFHVURJKSA-N 427.593 3.509 0 40 IHAB COc1ccc(F)cc1-c1ccc(CC2(C(=O)NCCn3ccnc3)CCOCC2)cc1 257277959 OADMDRLWIJJBQA-UHFFFAOYSA-N 437.515 3.854 0 40 IHAB CCN(CC)C(=O)c1cnc(C)nc1[C@H]1CC[C@H](CNC(=O)CC[C@H]2CCCO2)CC1 257297402 RHCUZDBTCQUSDP-VAMGGRTRSA-N 430.593 3.616 0 40 IHAB Cc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)[C@@H]5CCCC[C@H]5C4=O)cc3)CC2=O)cc1 408638641 CVLAHZYLUAOREN-ZPMCFJSWSA-N 446.503 3.633 0 40 IHAB Cc1ccc(CSCCNC(=O)CCCN(c2cccc(C)c2)S(C)(=O)=O)cc1 408679477 LXXHOGCRHUQZHM-UHFFFAOYSA-N 434.627 3.899 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(F)c(Cl)c1 408701208 UGZGXHZWSKJNBM-UHFFFAOYSA-N 426.897 3.915 0 40 IHAB CCc1ccc(CNC(=O)C(=O)Nc2ccccc2C(=O)NCc2cccc(C)c2)cc1 408710058 NINJJNMLSMQOHA-UHFFFAOYSA-N 429.520 3.742 0 40 IHAB CC(C)CN1C[C@H](c2nc(-c3ccc(N4CCCN(C)CC4)c(Cl)c3)no2)CC1=O 545770997 PJAKXHKOQYCVMT-QGZVFWFLSA-N 431.968 3.504 0 40 IHAB CCCN1CCN(C(=O)c2ncc[nH]2)C[C@@H](Cc2ccccc2-c2ccccc2OC)C1=O 585183604 MLEKHLBCMFMJJI-HXUWFJFHSA-N 446.551 3.639 0 40 IHAB Cc1cc(=O)n(-c2ccccc2)c(C)c1C(=O)N[C@@H]1CC(=O)N(c2ccccc2Cl)C1 595337256 JINRPLPKCVIIJT-QGZVFWFLSA-N 435.911 3.643 0 40 IHAB O=C(c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1)N1C[C@@H]2CC[C@H](C1)O2 608591161 PCVXBWMEBCEKOZ-HDICACEKSA-N 428.414 3.957 0 40 IHAB C=CC(=O)Nc1ccc(C(=O)NC[C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)cc1 1558194217 NPOCHXLRJXHEER-NRFANRHFSA-N 435.524 3.903 0 40 IHAB Cc1c(S(=O)(=O)N2CCN(Cc3ccccc3)C[C@H]2C)cnn1-c1ccc(Cl)cc1 1621801537 DGAYXMPJVVIPGY-QGZVFWFLSA-N 444.988 3.729 0 40 IHAB Cc1c(O)nc2ccccc2c1C(=O)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 1624884827 UPDLORHHJRIWHX-UHFFFAOYSA-N 443.425 3.866 0 40 IHAB O[C@]1(COc2ccccc2F)CCCN(Cc2cccc(OCCn3cccn3)c2)CC1 2037928496 SSAQHBHTOCWBDE-RUZDIDTESA-N 439.531 3.897 0 40 IHAB NC(=O)CSc1nnc(-c2ccccc2NC(=O)c2ccccc2)n1-c1ccccc1 886548 VNUOCSAKFJECMQ-UHFFFAOYSA-N 429.505 3.764 0 40 IHAB CCOc1cc(N2CCOCC2)c(OCC)cc1NS(=O)(=O)c1ccc(Cl)s1 2659866 HSKMWGCLXVVBST-UHFFFAOYSA-N 446.978 3.836 0 40 IHAB O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)c1ccccc1 3271149 IVDTVQSMWOKSIM-UHFFFAOYSA-N 435.501 3.868 0 40 IHAB CCCC[C@@H](CC)CNC(=O)c1ccc2c(=O)n(Cc3ccc(OC)cc3)c(=O)[nH]c2c1 4791490 NVDXIALPFYFQHO-QGZVFWFLSA-N 437.540 3.693 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3c(F)cccc3F)CC2)cc1C 6601812 PFLNBWWCXHTHDE-UHFFFAOYSA-N 438.496 3.711 0 40 IHAB CCn1c(SCC(=O)c2ccc[nH]2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 9255428 YFDSEVRKOIVWRA-UHFFFAOYSA-N 432.571 3.534 0 40 IHAB COc1cc(OC)cc(C(=O)Nc2nnc(SCC(=O)Nc3ccccc3F)s2)c1 9365884 UDSPDGZPGMKPBX-UHFFFAOYSA-N 448.501 3.678 0 40 IHAB CCOC(=O)c1c(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)sc2c1CC[C@H](C)C2 9443790 GJJLUJSYDRKKLP-ZDUSSCGKSA-N 440.521 3.955 0 40 IHAB COc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)c1cc(=O)c2ccccc2o1 9487045 XOPJNEUNPTYTLF-UHFFFAOYSA-N 432.432 3.676 0 40 IHAB CCOC(=O)COc1ccc2c(-c3cc4cccc(OCC)c4oc3=O)cc(=O)oc2c1 9517241 GTZNRAJVKVGFNR-UHFFFAOYSA-N 436.416 3.907 0 40 IHAB biogenic COc1cc(-c2nnc(SCC(=O)Nc3cccnc3Cl)o2)cc(OC)c1OC 9670526 NIOLNQITXSGNBJ-UHFFFAOYSA-N 436.877 3.542 0 40 IHAB COc1ccc(CCn2c(C)cc(C(=O)CN3C(=O)NC4(CCCCC4)C3=O)c2C)cc1 9691082 WCSIWESEXUSEKW-UHFFFAOYSA-N 437.540 3.794 0 40 IHAB CCOc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccc(Cl)cc4Cl)nc32)cc1 9739060 MBLUXDWWDCRFQY-UHFFFAOYSA-N 444.278 3.580 0 40 IHAB Cc1csc(-c2ccc(OCC(=O)N(c3ccccc3)[C@@H]3CCS(=O)(=O)C3)cc2)n1 9836721 LHANIAILLRNWTQ-LJQANCHMSA-N 442.562 3.718 0 40 IHAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)CNC(=O)Cc2cccc3ccccc23)c1 9949021 JQWBFIUYKHUTEC-QHCPKHFHSA-N 432.520 3.879 0 40 IHAB COc1ccc(OC[C@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 10112618 HAHTZQRPNFBZIX-KRWDZBQOSA-N 440.521 3.693 0 40 IHAB C[C@H]1C[C@H](C)CN(c2nnc(SCC(=O)c3ccc(O)cc3O)n2Cc2ccco2)C1 11427117 ZHJYMKWQVDQBHK-GJZGRUSLSA-N 442.541 3.788 0 40 IHAB O=C(Cc1csc(NC(=O)c2cccs2)n1)NCCCc1nc2ccccc2[nH]1 11486311 MLTUMMGMAIWTTP-UHFFFAOYSA-N 425.539 3.625 0 40 IHAB O=C(C[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)NCCc1c[nH]c2ccccc12 11612952 WTHDMFMWNYFILC-IBGZPJMESA-N 443.544 3.599 0 40 IHAB Cc1nc2c(SCC(=O)Nc3ccc(C(N)=O)cc3)nnc(-c3ccccc3)c2s1 12232816 WRPLLWKRFBNEPA-UHFFFAOYSA-N 435.534 3.891 0 40 IHAB CC[C@H](Oc1ccccc1F)C(=O)N1CCC(c2nc(O)cc(-c3ccccn3)n2)CC1 12241600 HRIHLVLNRZWCOW-FQEVSTJZSA-N 436.487 3.947 0 40 IHAB CCc1nn2c(nnc3c(=O)n(-c4ccc(C(C)=O)cc4)ccc32)c1-c1ccc(OC)cc1 12389270 DBPVXQAHYJIVGO-UHFFFAOYSA-N 439.475 3.869 0 40 IHAB Cc1cccnc1-n1c(SCc2nc3c(C)cccc3c(=O)[nH]2)nc2ccccc2c1=O 12526515 MZMPALCKKFDNJX-UHFFFAOYSA-N 441.516 3.926 0 40 IHAB Cc1nc(COc2ccccc2C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cs1 12774109 ZQGNHDKXZOSVGR-AWEZNQCLSA-N 430.551 3.925 0 40 IHAB CCN([C@@H](C)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1ccccc1Br 12816733 VYKAXDJRNPDKRQ-AWEZNQCLSA-N 425.348 3.795 0 40 IHAB COc1cc(C(=O)N(C)CC(=O)Nc2ccccc2Br)ccc1OC(C)C 12932001 COOZDZDMKUUWKX-UHFFFAOYSA-N 435.318 3.956 0 40 IHAB Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)Cn1ncc2ccccc2c1=O 13005629 CJAQUZWEDUISGD-UHFFFAOYSA-N 449.942 3.570 0 40 IHAB Cc1cc(O[C@@H](C)C(=O)NC2CCN(Cc3ccccc3)CC2)c2c(C)cc(=O)oc2c1 13555477 FLTGTKMCAXLARS-IBGZPJMESA-N 434.536 3.958 0 40 IHAB CCn1c(S[C@@H](C)C(=O)Nc2nc(C)cs2)nnc1-c1ccc(OC)c(OC)c1 13568941 OUCBDSNEXDADHZ-LBPRGKRZSA-N 433.559 3.866 0 40 IHAB COc1ccc([C@@H]2CC(=O)c3cnc4[nH]n(-c5nc6ccccc6o5)c(=O)c4c3C2)cc1 13639643 VOGOOKZBPWZPEW-AWEZNQCLSA-N 426.432 3.776 0 40 IHAB O=C(O)COc1ccc(/C=C(\Cl)c2nnc(C(=O)NCc3ccccc3)s2)cc1 14108534 QQCWBVRZIJWBJK-YBEGLDIGSA-N 429.885 3.668 0 40 IHAB O=C(Nc1ccc(Cl)c(S(=O)(=O)Nc2cccc(Cl)c2)c1)C1=COCCO1 14129274 XXHICIWWURBDCJ-UHFFFAOYSA-N 429.281 3.621 0 40 IHAB C[C@@H](CNC(=O)COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1 14129731 VZNMNGFTRDHTGP-INIZCTEOSA-N 449.473 3.780 0 40 IHAB CC[C@@H]1C(=O)N(c2ccc(OC)cc2)C(=O)[C@@H]2C(=O)Oc3ccc(Br)cc3[C@H]12 15305815 GJLOQGZEOGPFMP-JCGIZDLHSA-N 444.281 3.676 0 40 IHAB O=C(OC[C@H]1CCCN2CCCC[C@@H]12)c1nn2cc(Br)cnc2c1Cl 15319711 UPZBPJXOSSLKCU-YPMHNXCESA-N 427.730 3.567 0 40 IHAB COc1ccc(OC)c([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nc(SC)nn32)c1 17056378 GMYAYVXAEFEXDN-IBGZPJMESA-N 437.525 3.945 0 40 IHAB COCCNC(=O)c1sc2ncccc2c1[C@H]1CCN(Cc2c[nH]nc2C(C)(C)C)C1 19702595 XNPJACGKGKUOBI-HNNXBMFYSA-N 441.601 3.683 0 40 IHAB CCc1cc(C(=O)N2CCC(c3nc(C)c4c(n3)N(C3CCCC3)C(=O)CC4)CC2)on1 19739308 GRKMILQMCCIFEY-UHFFFAOYSA-N 437.544 3.577 0 40 IHAB Cc1ccc(OC(C)(C)C(=O)N2CCC[C@@H]2c2nc(C)c3c(n2)N(C)C(=O)CC3)cc1C 19742046 OONDDMABQURZTJ-HXUWFJFHSA-N 436.556 3.832 0 40 IHAB CCCOc1ccc(CC(=O)N2CCC[C@@H]2c2ncc(C(=O)N3CCCC3)c(C)n2)cc1 19756173 OHTQATJASNKXRX-JOCHJYFZSA-N 436.556 3.716 0 40 IHAB O=C(NCc1ccc(Cl)cc1)[C@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 19860214 NMYJOHITDSTOSG-KRWDZBQOSA-N 441.380 3.852 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(F)ccc3F)C2)cc1C 20017375 OAXZULZTQPPOEF-OAHLLOKOSA-N 438.496 3.711 0 40 IHAB O=S1(=O)CCN(CCc2cn(Cc3ccc(C(F)(F)F)cc3)c3ccccc23)CC1 20386342 NLMSSDNUQFNYRY-UHFFFAOYSA-N 436.499 3.981 0 40 IHAB Cc1ccc(N(CCCC(=O)Nc2ccc(N3CCCC3=O)cc2)S(C)(=O)=O)cc1C 20495016 MBRVURSTBWIWLS-UHFFFAOYSA-N 443.569 3.615 0 40 IHAB Cn1c(C(=O)N2CCN(C(=O)c3cccc(Br)c3)CC2)cc2ccccc21 20731971 RBYOJWAYUSIMCN-UHFFFAOYSA-N 426.314 3.539 0 40 IHAB CCN(CC(=O)Nc1cccc(C(=O)NC2CC2)c1)Cc1ccc(Br)s1 22063284 SVEFVEGRFZVUDZ-UHFFFAOYSA-N 436.375 3.863 0 40 IHAB COc1cc(NS(=O)(=O)c2ccc(OC)c(Br)c2)c(OC)cc1Cl 22308530 ONVYNGAAXPIRRB-UHFFFAOYSA-N 436.711 3.929 0 40 IHAB COc1cc(NC(=S)NC(=O)c2cccc(F)c2)ccc1N1C(=O)c2ccccc2C1=O 22527948 FMWMRDVRGUBBJO-UHFFFAOYSA-N 449.463 3.762 0 40 IHAB CCOc1ccc([C@@H](CNC(=O)[C@H](CC)c2ccccc2)N2CCOCC2)cc1OC 22785527 OWOBSSLZEZCBMU-FGZHOGPDSA-N 426.557 3.777 0 40 IHAB CN(C(=O)CSc1ccccc1C(=O)NCc1nnc2ccccn12)C1CCCCC1 23244581 IKLFJGKDLJJLPS-UHFFFAOYSA-N 437.569 3.543 0 40 IHAB NC(=O)N[C@H](CC(=O)Nc1ccccc1N1CCCC1)c1cccc(Br)c1 29830212 YHONJQUFMFCBFL-QGZVFWFLSA-N 431.334 3.788 0 40 IHAB COC(=O)CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 32104981 GCWYZSBCJYROOV-QHCPKHFHSA-N 434.536 3.808 0 40 IHAB COc1ccc(NC(=O)[C@@H]2Sc3nc(O)sc3[C@H]3c4ccccc4OC(=O)[C@H]23)cc1 32594619 HAZYMJSCSVRNRK-HRCADAONSA-N 440.502 3.637 0 40 IHAB COc1ccc(-c2nnc([C@H](C)OC(=O)CCS(=O)(=O)c3ccc(C)cc3)o2)cc1 32745137 HTFNJUJVNZKBJF-HNNXBMFYSA-N 430.482 3.522 0 40 IHAB O=C(NCc1ccccc1)c1ccc(Nc2nn3c(=O)c4ccccc4nc3s2)cc1 32952084 YXLABKYMFNCYAU-UHFFFAOYSA-N 427.489 3.978 0 40 IHAB O=C(Nc1ccc(OCc2cc(=O)n3ccccc3n2)cc1)Nc1ccc2c(c1)OCCO2 33067791 ICWRVBOOLRBUBZ-UHFFFAOYSA-N 444.447 3.689 0 40 IHAB COc1ccc(CCS(=O)(=O)NC[C@@H](c2ccco2)N2CCc3ccccc3C2)cc1 38632736 NLSVWUPQSFHTMF-QHCPKHFHSA-N 440.565 3.550 0 40 IHAB Cc1ccc([C@@H](CNC(=O)c2ccc(O[C@@H](C)c3ccccc3)nc2)N2CCOCC2)o1 40132001 SSSUXELEPPSDMZ-SIKLNZKXSA-N 435.524 3.926 0 40 IHAB CCOC(=O)c1c(NC(=O)c2cc(-c3ccccc3C)on2)sc2c1CC[C@H](N)C2 61997333 CNFQVLBNHXHNFM-ZDUSSCGKSA-N 425.510 3.957 0 40 IHAB CCc1ccc(CNC(=O)Cn2c(=O)cc(-c3nc(C4CC4)no3)c3ccccc32)cc1 67317968 OBQIDQULMWHTIV-UHFFFAOYSA-N 428.492 3.808 0 40 IHAB C[C@@H]1Cc2cc(C(=O)N3CCN(C)C(=O)[C@@H]3Cc3ccc(-c4cccnc4)cc3)ccc2O1 72351873 XEHBBIXOLLQPCX-KOSHJBKYSA-N 441.531 3.598 0 40 IHAB Cc1nc([C@@H]2CCCN2C(=O)Cc2c(C)noc2C)nc2c1CCCN2Cc1ccccn1 72372930 QIQLLBPCKADLOR-QFIPXVFZSA-N 446.555 3.644 0 40 IHAB CC(C)NC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)C2CCC2)CCO1 72389265 IPHXJBIEVJRRQX-DEOSSOPVSA-N 426.582 3.880 0 40 IHAB COc1ccc([C@H](NC(=O)c2nn(-c3cccc(C(C)C)c3)cc2O)c2nccn2C)cc1 78875676 XLRCYKQZVPDJDC-QFIPXVFZSA-N 445.523 3.963 0 40 IHAB Cn1c(=O)oc2cc(NC(=O)C3(c4ccc(Br)cc4)CCOCC3)ccc21 89749507 OESWXDQUDPCQHX-UHFFFAOYSA-N 431.286 3.581 0 40 IHAB CCOc1cc(CCC(=O)NC[C@H]2CC[C@H](c3nn(C)cc3-c3ccncc3)CC2)on1 100744835 FTOWSYZIUNNKKF-IZAXUBKRSA-N 437.544 3.892 0 40 IHAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)/N=c3/sc4cc(F)ccc4n3C)cc2)C1 100861234 NJVMRSDZOGICRK-ZMCBVEOSSA-N 447.557 3.541 0 40 IHAB COCCCn1c(CN2CCN(C(=O)C3CC3)CC2)cs/c1=N/c1cccc(Cl)c1 102025047 XGQYDLSQEPSISX-ZNTNEXAZSA-N 449.020 3.526 0 40 IHAB Cc1cc(C)cc(OC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1 102077366 GFUCHNKWMANOHB-BXWIXXPZSA-N 441.527 3.873 0 40 IHAB CC(C)C[C@@H](C(=O)OCC(=O)Nc1cccc2ccccc12)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 102586670 CYXIWMMECLFHTN-VWPQPMDRSA-N 448.519 3.687 0 40 IHAB CC(=O)Nc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4F)C(=O)[C@@H]3ON2c2ccccc2)cc1 102759237 IZFKBBWLZQVYJB-DNVJHFABSA-N 445.450 3.835 0 40 IHAB CCOC(=O)[C@@H]1CCCN([C@H](c2ccc(OCC)cc2)c2sc3nc(C)nn3c2O)C1 102879017 LAAOEHWWDROFND-SJLPKXTDSA-N 444.557 3.568 0 40 IHAB Cc1nc(S(=O)(=O)Nc2ccc(-c3csc(Nc4cccnc4)n3)cc2)cn1C 208007018 KEPJMXHLWDAGIK-UHFFFAOYSA-N 426.527 3.791 0 40 IHAB COc1ccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3cc(C)cc(C)c3)n2)c(OC)c1 219554158 DJHZUGPIFNYPOD-INIZCTEOSA-N 425.485 3.797 0 40 IHAB Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1OCC(=O)N(C)c1ccc(F)cc1 222798778 TWTOEZUMBOQEDT-UHFFFAOYSA-N 428.485 3.977 0 40 IHAB CCc1ccccc1N(CC(=O)NCCc1ccc(F)cc1)S(=O)(=O)c1ccccc1 223473469 OUJOAXKSNRDCKE-UHFFFAOYSA-N 440.540 3.942 0 40 IHAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 223535636 LLUXUUUNCFBVSK-QHCPKHFHSA-N 442.581 3.562 0 40 IHAB COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(Br)cs1 223711430 UATOJRXRAYIORC-JKSUJKDBSA-N 440.388 3.831 0 40 IHAB Cc1ccccc1N(CCCC(=O)Nc1nnc(SC(C)C)s1)S(C)(=O)=O 223768691 REQXKWZYYCWOGR-UHFFFAOYSA-N 428.605 3.532 0 40 IHAB CCCSc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)s1 225083224 FZIGFHHPBVHNDP-UHFFFAOYSA-N 440.616 3.713 0 40 IHAB COc1ccccc1-c1nc2sc(=Cc3ccc(-c4ccc(C(C)=O)cc4)o3)c(=O)n2n1 254478682 LKQRSZHTPZVPAL-UHFFFAOYSA-N 443.484 3.837 0 40 IHAB O=C(CCc1[nH]nc2c1CCCC2)N1CCO[C@@H](c2cccc(Cc3ccc(F)cc3)n2)C1 257226848 FMKVUCMBRNBTSZ-RUZDIDTESA-N 448.542 3.946 0 40 IHAB COc1ccc(-c2cncc([C@@H]3CN(C(=O)c4ccc5c(c4)CCCN5C)CCO3)n2)cc1 257236301 HBNQIHIXPSVJGU-VWLOTQADSA-N 444.535 3.748 0 40 IHAB COc1ccc(Nc2ncccc2C(=O)N(CC(=O)O)Cc2cc(F)cc(F)c2)cc1 257326914 WZCQRGPDJJJDMV-UHFFFAOYSA-N 427.407 3.839 0 40 IHAB c1cc(N2CCOCC2)n2cc([C@H]3CN(Cc4ccsc4)CCN3CC3CC3)nc2c1 306139972 UFWLZAHIMCYRHL-JOCHJYFZSA-N 437.613 3.501 0 40 IHAB Cc1cc(Br)ccc1NC(=O)CCC(=O)OCC(=O)N[C@H](C)c1ccccc1 408643453 BBCRUNSNKCFUQO-OAHLLOKOSA-N 447.329 3.897 0 40 IHAB Cc1cc(C)c(S(=O)(=O)N(CC(=O)NCCCOC(C)C)C2CCCCC2)c(C)c1 409367386 WDEMHAHITOGVDQ-UHFFFAOYSA-N 438.634 3.867 0 40 IHAB COc1cc2c(cc1OC)CCN(C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1C)CC2 513436124 AUXZJMTWAVGLKV-INIZCTEOSA-N 428.529 3.901 0 40 IHAB COc1ccc2[nH]c(C)c(-c3csc(NC(=O)COc4coc(C)cc4=O)n3)c2c1 524732841 SPOKFNSFAGNKRY-UHFFFAOYSA-N 425.466 3.888 0 40 IHAB CC(=O)NCCCc1ccc(-c2csc(NC(=O)c3cc(-n4ccnc4)ccn3)n2)cc1 538708545 UDRFLTZXJCZNIV-UHFFFAOYSA-N 446.536 3.712 0 40 IHAB Cc1ccc(C(=O)N2CCC[C@@]3(CCCCc4ccccc4OCCN(C)C3=O)C2)cn1 643561386 ICAZYBOKPGOLCC-SANMLTNESA-N 435.568 3.876 0 40 IHAB CS(=O)(=O)N1CCC[C@H](c2nnc3sc(-c4cccc5c(Cl)cccc45)nn23)C1 1505838434 KAZCUKJICIYSKK-LBPRGKRZSA-N 447.973 3.798 0 40 IHAB Nc1ccc(C(=O)N2N=C(C(F)(F)F)C[C@]2(O)c2ccc(Br)cc2)cc1 713255 PQGLETPGCQDPFC-INIZCTEOSA-N 428.208 3.641 0 40 IHAB CC(=O)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(C(=O)O)cc3)C(=O)[C@H]12 716549 WFUPUDMUCATRAO-YKUCYRFJSA-N 437.451 3.525 0 40 IHAB Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)n2C)c1C 896622 RUOXBYVWRYXAHU-UHFFFAOYSA-N 440.525 3.513 0 40 IHAB O=S(=O)(c1ccccc1)c1nc(-c2cccc(Br)c2)oc1N1CCOCC1 904464 NWQYGANOXZXEOO-UHFFFAOYSA-N 449.326 3.774 0 40 IHAB CCc1cc(I)ccc1NC(=S)NC(=O)COc1ccccc1 1312031 GLFWYAAWZRJQMH-UHFFFAOYSA-N 440.306 3.746 0 40 IHAB COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCC(C)C)CC(=O)N32)cc1 2094511 UASRKLJYYNKBMR-WIOPSUGQSA-N 431.536 3.908 0 40 IHAB biogenic Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc4n3-c3ccccc3SC4)C2)cc1 2638050 ZCBUWBFXMDMHPB-MRXNPFEDSA-N 426.567 3.750 0 40 IHAB Cn1cc(CNC(=O)c2nn3c(C(F)(F)F)cc(-c4cccs4)nc3c2Cl)cn1 2793494 ZUGVHZZJROFWJI-UHFFFAOYSA-N 440.838 3.794 0 40 IHAB COc1cccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCN(C)C)c1 2890320 BBNCOTQGFCEEIL-HXUWFJFHSA-N 426.900 3.952 0 40 IHAB O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)Nc1cc(C(F)(F)F)ccc1Cl 3252812 WWHAHMZKMZBKQN-IBGZPJMESA-N 437.805 3.691 0 40 IHAB Cc1ccc2nc(CSc3nnc(-c4cccs4)n3C[C@@H]3CCCO3)cc(=O)n2c1 3331152 BOKLQZOHPGWLBP-INIZCTEOSA-N 439.566 3.794 0 40 IHAB C[C@H](OC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)C(=O)N(C)c1ccccc1 3482389 AFIZJWPJJYPHGX-INIZCTEOSA-N 428.444 3.696 0 40 IHAB Cc1c(Cl)cccc1N(CC(=O)NCc1cccnc1)S(=O)(=O)c1ccccc1 6023489 BGGGASDMOJHZKK-UHFFFAOYSA-N 429.929 3.555 0 40 IHAB CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 8789031 OTNAVSJAMNLXPF-BSXCMTNWSA-N 432.557 3.744 0 40 IHAB biogenic CC(C)OCCCNS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(F)c1 8810131 SZGPMBXULVHTHW-UHFFFAOYSA-N 428.913 3.825 0 40 IHAB Cc1nc(N2CCN(c3ccccc3F)CC2)nc2c1C(=O)C[C@H](c1ccccc1O)C2 9096444 NOJCJYGXCUNKNH-QGZVFWFLSA-N 432.499 3.869 0 40 IHAB Cn1c(=O)c2c(-c3ccc(Cl)cc3)n3c(c2n(C)c1=O)[C@@H](c1ccccc1F)OCC3 9303083 WXOXCCFFYDWWIY-OAQYLSRUSA-N 439.874 3.618 0 40 IHAB O=C(NCc1ccccc1Cl)[C@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 9305821 JSTRNZITZLWGJR-OAQYLSRUSA-N 428.941 3.963 0 40 IHAB COc1cc2c(cc1OC)[C@H](c1ccc(F)cc1)N(C(=O)N[C@H](C(=O)O)C(C)C)CC2 9410635 UFLCMTAAMKGDNN-SFTDATJTSA-N 430.476 3.609 0 40 IHAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O 9478711 JPFCXYKTIZDQKH-ZUOKHONESA-N 441.450 3.933 0 40 IHAB COc1ccc(C2=NN(C(=O)Cn3cc(C(F)(F)F)ccc3=O)[C@@H](c3ccco3)C2)cc1 9662579 LOLAZGLYRAQOLV-GOSISDBHSA-N 445.397 3.847 0 40 IHAB Cc1ccc(-n2nc(C)cc2NC(=O)CN2CCC(C(=O)Nc3ccccc3)CC2)cc1 9730296 GNTYRJJKJNWJDV-UHFFFAOYSA-N 431.540 3.778 0 40 IHAB CCc1cccc(C)c1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Br)cc1 10041088 WGTYAAYNNDXAGD-CYBMUJFWSA-N 425.348 3.625 0 40 IHAB CCCn1c(C)c(C)n2c3c(=O)n(Cc4ccc(Cl)c(Cl)c4)c(=O)n(C)c3nc12 10328569 XWCPGTOJZLUGKN-UHFFFAOYSA-N 434.327 3.531 0 40 IHAB O=C(Nc1nc2c(s1)CCCC2)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 10337487 XWIQFMZTGOKISE-UHFFFAOYSA-N 439.990 3.715 0 40 IHAB CCOc1ccc(N(CC(=O)N2CCC[C@@H](C)C2)S(=O)(=O)c2ccc(F)cc2)cc1 10541567 CLGZYTXLUWXAPR-QGZVFWFLSA-N 434.533 3.678 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1ccc(I)cc1 11328345 PZDIARXKCAIKNN-UHFFFAOYSA-N 445.260 3.915 0 40 IHAB COc1ccc2c(c1)N[C@@]1(COC3(CCN(C(=O)Cc4ccncc4)CC3)C1)c1cccn1-2 12086222 GWMRAGLFVJXIPN-SANMLTNESA-N 444.535 3.526 0 40 IHAB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)N[C@@H]1CCOc2ccccc21 12698920 LYOAVBJTPGFBHS-JOCHJYFZSA-N 436.533 3.518 0 40 IHAB O=C(/C=C/c1ccsc1)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 12772280 NHDCLOYLAZDVEX-DAFODLJHSA-N 431.366 3.601 0 40 IHAB CC(=O)c1cccc(OC[C@H](O)Cn2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1 12782598 YUWUQWQQZIAIKY-HXUWFJFHSA-N 432.451 3.845 0 40 IHAB Cc1ccc(F)cc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 12785277 OQNQZGAGQGPSRA-UHFFFAOYSA-N 447.315 3.714 0 40 IHAB CC1=CN2C(=NC(=O)C[C@]2(C)C(=O)N(CC(=O)NC2CCCC2)c2cc(C)cc(C)c2)C=C1 12880251 MPUKSSRUGATSAU-AREMUKBSSA-N 448.567 3.558 0 40 IHAB Cc1csc(=O)n1CC(=O)Nc1nc(-c2ccc(NC(=O)C(C)(C)C)cc2)cs1 12905739 QKUIFPCUMUSKFU-UHFFFAOYSA-N 430.555 3.965 0 40 IHAB Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N(C)Cc1ccccc1F 12910451 HFOMGTSZUNQPQV-UHFFFAOYSA-N 426.513 3.885 0 40 IHAB CCOc1ccc(N2C[C@@H](C(=O)O[C@@H](C)C(=O)Nc3ccccc3SC)CC2=O)cc1 12915369 AFGOPEWZGLLURE-HOTGVXAUSA-N 442.537 3.731 0 40 IHAB COCCN(Cc1nnc(-c2cccs2)o1)C(=O)Cc1coc2cc(OC)ccc12 13164053 NCVLJANKOXIJTM-UHFFFAOYSA-N 427.482 3.771 0 40 IHAB CCC(C)(C)n1nnnc1[C@H](c1ccccc1OC)N1CCN(c2ccc(F)cc2)CC1 13504155 HEDRQBUTSNRQQL-QFIPXVFZSA-N 438.551 3.878 0 40 IHAB COc1ccc(N(CC(=O)N2c3ccccc3C[C@H]2C)S(=O)(=O)c2ccccc2)cc1 13612096 FWFPYAOUGQILKB-GOSISDBHSA-N 436.533 3.868 0 40 IHAB COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(CCC(C)C)CC(=O)N23)cc1 16042613 UASRKLJYYNKBMR-RDGATRHJSA-N 431.536 3.908 0 40 IHAB biogenic COc1cccc(NC(=O)CCc2csc(NS(=O)(=O)c3ccc(C)cc3)n2)c1 16848670 HQDAPIZOTADVHU-UHFFFAOYSA-N 431.539 3.832 0 40 IHAB CCN1CCN(C(=O)c2ccccc2OC)C[C@H](Cc2cccc(-c3ccncc3)c2)C1=O 19527591 QIBUMNPOIIVKTF-QHCPKHFHSA-N 443.547 3.920 0 40 IHAB CCOc1ccc(CC(=O)N2CCC[C@H](c3cc(N(C)C)nc(-c4cccnc4)n3)C2)cc1 19532851 GWUROBUOAOHRIF-NRFANRHFSA-N 445.567 3.952 0 40 IHAB COc1cccc(C(=O)N[C@H](Cc2cc(=O)[nH]c(-c3ccccn3)n2)c2ccccc2)c1 19564775 JNEIRNCUOMOYPJ-JOCHJYFZSA-N 426.476 3.554 0 40 IHAB CN(C)C(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCCN(C(=O)c2cnccn2)C1 19579476 MNGFNKDLHIGILQ-SANMLTNESA-N 428.536 3.697 0 40 IHAB CCc1nc(-c2cncnc2[C@@H]2CN(Cc3cn(CC)c4cc(F)ccc34)CCO2)no1 19693772 XZHYDIXJOAGHEG-FQEVSTJZSA-N 436.491 3.776 0 40 IHAB Cc1nc([C@@]2(O)CCCN(C(=O)c3snnc3C)CC2)sc1COc1ccccc1 19705254 LQDPQNPKYINBKE-OAQYLSRUSA-N 444.582 3.704 0 40 IHAB CC1CCN(C(=O)CN2CCC[C@H](c3ccc4c(N)nc(-c5ccccc5)nc4n3)C2)CC1 19743324 XMCMBVIXMXCWKV-FQEVSTJZSA-N 444.583 3.712 0 40 IHAB Cc1nc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccccc3F)CC2)cs1 19747026 UBHVXEFIXXRCRK-QFIPXVFZSA-N 443.588 3.996 0 40 IHAB CCOC(=O)[C@@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@H]1c1ccccn1 19820807 NNWYFHBVERQCRH-GOTSBHOMSA-N 440.503 3.789 0 40 IHAB C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1)c1ccc(F)cc1 20110944 JQYAUPOQZXCVOT-RXVVDRJESA-N 432.561 3.678 0 40 IHAB C[C@@H](OC(=O)c1cn(C)nc1-c1ccc2c(c1)OCCCO2)C(=O)Nc1ccc(F)cc1 21414987 SIXQOAMMGWCKAE-CQSZACIVSA-N 439.443 3.572 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(OC)cc3OC)o2)cc1 21571301 GTOUPYCLPNNRLP-UHFFFAOYSA-N 443.481 3.661 0 40 IHAB Cn1c(=O)c2ccccc2n2c(COC(=O)c3cc4c(s3)-c3ccccc3OC4)nnc12 22053598 FWADXIVSBZDKLL-UHFFFAOYSA-N 444.472 3.559 0 40 IHAB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1cccs1)NCCCc1ccccc1 22394345 GSSCDFPFTVDHNN-UHFFFAOYSA-N 432.542 3.832 0 40 IHAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 22435733 MXAJUZZWMOUYDU-KRWDZBQOSA-N 433.549 3.903 0 40 IHAB C[C@@H](NC(=O)C(C)(C)C)C(=O)OCC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1 22525219 JUIMXOSASGBCRA-QGZVFWFLSA-N 448.523 3.572 0 40 IHAB COC(=O)c1ccc(CN2CCN(Cc3csc(-c4ccc(OC)cc4)n3)CC2)cc1 23249034 OLYHKXFWTCDTGZ-UHFFFAOYSA-N 437.565 3.923 0 40 IHAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(-c2nc3ccccc3n2C(F)F)cc1 23887442 IONUGBCWLBDBIT-GOSISDBHSA-N 448.495 3.851 0 40 IHAB CSc1ccc(N2C[C@@H](C(=O)N(C)Cc3cnn(Cc4ccccc4)c3)CC2=O)cc1 26555315 SDRLDDAYLGFJHZ-FQEVSTJZSA-N 434.565 3.665 0 40 IHAB Cn1ccc(NC(=O)c2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)n1 29953378 CWNKRZLYSPKQCW-UHFFFAOYSA-N 425.297 3.780 0 40 IHAB O=C(NCC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1)c1ccc(Br)o1 31317526 BHTZRNJUPBSGAG-UHFFFAOYSA-N 445.235 3.982 0 40 IHAB c1ccc(-c2nnc3n2[C@@H](CSc2nnc(NC[C@H]4CCCO4)s2)CS3)cc1 32906023 HQVAOOFSFXOUDZ-ZIAGYGMSSA-N 432.600 3.827 0 40 IHAB COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)COc1ccc2ccccc2c1 32967210 PZGNHXBXSRRGRK-QFIPXVFZSA-N 449.503 3.925 0 40 IHAB Cc1cc2nc(CSc3nnc(NC(=O)Nc4cccc(F)c4)s3)cc(=O)n2o1 35429583 JILLBPYZRGIIJQ-UHFFFAOYSA-N 432.462 3.523 0 40 IHAB CCn1c(Cc2ccccc2)nnc1[S@](=O)CC(=O)Nc1cccc(C(F)(F)F)c1 35683090 BIWIWFCYHMFLPB-PMERELPUSA-N 436.459 3.654 0 40 IHAB Cc1cc(=O)n(S(=O)(=O)c2ccc3ccccc3c2)c2nn(CC(F)(F)F)c(C)c12 36621451 YQVRBIUCJZZESJ-UHFFFAOYSA-N 435.427 3.767 0 40 IHAB 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O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1cc(C2CC2)nn1-c1ccccc1 9725286 QIKRWUNKZPDSEH-UHFFFAOYSA-N 436.537 3.787 0 40 IHAB Cc1cc(C(=O)CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)c(C)n1CCc1cccs1 9788842 SVVIBYYEKQOFCR-UHFFFAOYSA-N 449.532 3.583 0 40 IHAB CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(C(=O)Nc2ccc(C(=O)O)cc2)cc1 10336931 XJVFUSOEQRGMEP-UHFFFAOYSA-N 442.468 3.742 0 40 IHAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3 10677490 KYBNIUBMDJCEJD-UHFFFAOYSA-N 429.476 3.505 0 40 IHAB C[C@H](Sc1ncnc2c1cnn2C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 11678466 YLVFFHKGALOZIL-VIFPVBQESA-N 432.481 3.884 0 40 IHAB NS(=O)(=O)c1ccc(CCNC(=O)CCn2c(-c3ccccc3)cc3ccccc32)cc1 11866548 LEWMJVXULFQJMB-UHFFFAOYSA-N 447.560 3.705 0 40 IHAB COc1ccc(-c2cc3nc([C@H](C)NC(=O)C4(c5ccc(F)cc5)CC4)nn3cn2)cc1 12085201 VEGKYGGHPQHRLO-HNNXBMFYSA-N 431.471 3.848 0 40 IHAB COc1cc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccc(C)cc2)ccc1OCC(N)=O 12544026 MPOZXTJNHVMQCO-XMMPIXPASA-N 431.492 3.634 0 40 IHAB CCn1/c(=N\C(=O)CCS(=O)(=O)c2ccc(OC)cc2)sc2c(C)cc(C)cc21 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3.932 0 40 IHAB O=C(NCCCCCCNC(=O)Nc1ccc(C(=O)O)cc1)Nc1ccc(C(=O)O)cc1 13777551 LBNCTJIDEVCCAA-UHFFFAOYSA-N 442.472 3.587 0 40 IHAB O=C(NC[C@@H](c1ccco1)N1CCCC1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 14047931 CGMGQEHNZKWGFB-SFHVURJKSA-N 436.478 3.863 0 40 IHAB CCS(=O)(=O)N(CC(=O)Nc1cc(Cl)ccc1Cl)c1ccc2c(c1)OCCO2 14400944 LHAQKVIGXVQPDQ-UHFFFAOYSA-N 445.324 3.559 0 40 IHAB COc1ccc(CCn2nc(C(=O)N(C)C)c3c2CCN(CCCc2ccccc2)C3)cc1 14755490 UUISWCIGKYMQQS-UHFFFAOYSA-N 446.595 3.827 0 40 IHAB Cc1ccc(N(CC(=O)Nc2ccc3c(c2)OCCO3)S(=O)(=O)c2ccccc2)cc1 15398232 DRXUDHVCWYSIGG-UHFFFAOYSA-N 438.505 3.600 0 40 IHAB CCCCN1C(=O)c2ccc(C(=O)N(C)CC(=O)Nc3c(C)cc(C)cc3C)cc2C1=O 15622167 IETIGBIRRSHRAB-UHFFFAOYSA-N 435.524 3.719 0 40 IHAB NC(=O)c1ccc(-c2ncc(-c3nnnn3-c3ccc(Cl)cc3)c(C(F)(F)F)n2)cc1 16429724 KYIQFWCJABRIRM-UHFFFAOYSA-N 445.792 3.557 0 40 IHAB Cc1cnccc1-c1cnc(N(C)C)nc1[C@@H]1CCCN1C(=O)CCc1c(C)noc1C 19239810 VRXQCBLCIOWXIQ-NRFANRHFSA-N 434.544 3.814 0 40 IHAB C[C@H](C(=O)N1CCC[C@@H]1c1c(-c2ccnc(N3CCCC3)n2)cnn1C)c1ccccc1 19459236 BOFWTXUBOFAAAZ-PGRDOPGGSA-N 430.556 3.945 0 40 IHAB CCCN1CCN(C(=O)c2c[nH]nc2C)C[C@H](Cc2cccc(-c3cccs3)c2)C1=O 19503082 XUANXVBFDGZYGR-FQEVSTJZSA-N 436.581 4.000 0 40 IHAB CCOc1cc(CCC(=O)N2CCC(c3nc4cnccn4c3NC(C)(C)C)CC2)on1 19532311 MJIJKYACOPZJMG-UHFFFAOYSA-N 440.548 3.665 0 40 IHAB COc1ccc(F)cc1-c1ccccc1CC1(C(=O)N2CC[C@H](CO)C2)CCOCC1 19561776 MFPMTRYNQFIVDC-SFHVURJKSA-N 427.516 3.681 0 40 IHAB CN(C(=O)c1c[nH]nc1C1CCN(C(=O)COc2cccc(F)c2)CC1)c1ccccc1 19586762 MHIPPGYBLLVCME-UHFFFAOYSA-N 436.487 3.610 0 40 IHAB CNC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CN(Cc2cccc(Cl)c2)CCO1 19591903 UNLBKYHIUIXPMO-VWLOTQADSA-N 435.955 3.962 0 40 IHAB CN(C)c1ncc(-c2cnn(C)c2)c([C@@H]2CCN(C(=O)CCc3cccc(Cl)c3)C2)n1 19693196 VAHCHHCCKJYPBR-QGZVFWFLSA-N 438.963 3.545 0 40 IHAB Cc1nc([C@@H]2CCCCN2C(=O)COc2ccc(F)cc2)ncc1C(=O)N1CCCCC1 19765702 AZEVAINTBIMBQH-NRFANRHFSA-N 440.519 3.683 0 40 IHAB C[C@H](NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1)c1ccc(F)cc1 20050695 QUTLQRVJUFZHRA-KSFYIVLOSA-N 440.496 3.659 0 40 IHAB Cc1ccc2nc(NC(=O)CCc3ccc(S(=O)(=O)N4CCCC4)cc3)sc2c1 21668064 CUQUIRIHDNHLBL-UHFFFAOYSA-N 429.567 3.961 0 40 IHAB COc1ccccc1C(=O)Nc1ccc(C)c(OCc2cc(=O)n3c(ncn3C(C)C)n2)c1 21797182 GDSDABWSXQVVLC-UHFFFAOYSA-N 447.495 3.620 0 40 IHAB CC(C)c1ccc(-n2nnnc2SCC(=O)N2c3ccccc3NC(=O)C2(C)C)cc1 22166063 LQHNEQWDRYSDET-UHFFFAOYSA-N 436.541 3.642 0 40 IHAB CN1CCN([C@H](c2cccc(Cl)c2)c2sc3nc(-c4ccco4)nn3c2O)CC1 22798401 OZMFTEMXYICYPQ-MRXNPFEDSA-N 429.933 3.747 0 40 IHAB COc1cc(NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)c(OC)cc1NC(=O)c1ccccc1 23123571 RGLCVXDCMXQNBU-QFIPXVFZSA-N 446.459 3.676 0 40 IHAB CCc1ccc([C@@H](NC(=O)c2cc(S(N)(=O)=O)ccc2Br)C(C)C)cc1 23767360 CRXAXCPJUQFPJL-SFHVURJKSA-N 439.375 3.786 0 40 IHAB Cc1cccc(C)c1-n1c(-c2ccccc2)cnc1SCC(=O)N1CCC[C@@H](C(N)=O)C1 24144576 WQQHAJIZKFKPFG-HXUWFJFHSA-N 448.592 3.972 0 40 IHAB CCCOc1ccc(/C=c2/sc3nc(-c4ccccc4OC)nn3c2=O)cc1OCC 26534131 DMKUELISZOFDBA-XSFVSMFZSA-N 437.521 3.562 0 40 IHAB CCCCc1ccc(NC(=O)[C@H]2CCC(=O)N2S(=O)(=O)c2ccc(OC)c(C)c2)cc1 28210172 WBIQGZIDNLFCFQ-HXUWFJFHSA-N 444.553 3.665 0 40 IHAB Cc1ccc(CN2CCCN(C(=O)[C@H]3CCCN(C(=O)c4ccc(C)cc4)C3)CC2)cc1 31225728 BSRMBHQAFTZDNT-VWLOTQADSA-N 433.596 3.890 0 40 IHAB COC(=O)c1ccc(COc2ccc([C@@H]3NC(=O)c4ccccc4N3C)cc2OC)cc1 32666144 JLDLYACKBOCRHJ-HSZRJFAPSA-N 432.476 3.939 0 40 IHAB COc1ccc(-c2nnc([C@@H](C)n3nnc(-c4ccc(Br)cc4)n3)o2)cc1 32745356 CBZFYQYAWKKXKK-LLVKDONJSA-N 427.262 3.771 0 40 IHAB Cc1ccccc1CSc1nnc2n(CCC(=O)NCC(C)C)c(=O)c3ccccc3n12 33292090 QNGJVQMSBDLJJI-UHFFFAOYSA-N 449.580 3.807 0 40 IHAB O=C(C1=C(c2ccccc2)S(=O)(=O)CCO1)N(Cc1cccc(F)c1)Cc1ccco1 35673204 HRSWYDRVPBJNGI-UHFFFAOYSA-N 441.480 3.761 0 40 IHAB Cc1sc2nc(CSCCNC(=O)Cc3c(F)cccc3Cl)[nH]c(=O)c2c1C 36360530 AQUUVEXMYVGAKE-UHFFFAOYSA-N 439.965 3.986 0 40 IHAB CC[C@H](C)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1Cl)C(=O)OC 36576399 JLTFFELJKDPHEW-LSKLOWJMSA-N 439.343 3.961 0 40 IHAB O=C(NCc1cccnc1)[C@H]1CCCN(c2nc3c(-c4ccccc4)csc3c(=O)[nH]2)C1 49421208 ZBYDWBXQADRCMG-SFHVURJKSA-N 445.548 3.579 0 40 IHAB Cc1ccc(C)c(-n2c(=O)c3sccc3n(CC(=O)N(C)C3CCCCC3)c2=O)c1 57492623 CCMNXCCRTOLLCS-UHFFFAOYSA-N 425.554 3.622 0 40 IHAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)N1CCC(CN2CCOCC2)CC1 58268949 IJEVGEGVFUQFTQ-UHFFFAOYSA-N 440.510 3.882 0 40 IHAB CC[C@H](Sc1nnc2c(=O)n(-c3ccccc3)ccn12)C(=O)Nc1cc(F)ccc1F 64593503 UCTGKXYVKUQFTA-KRWDZBQOSA-N 441.463 3.668 0 40 IHAB CCOc1ccccc1CNC(=O)Cn1c(C(F)(F)F)nc2cc3c(cc21)OCCO3 64814342 IQIHEOMEGLKHKU-UHFFFAOYSA-N 435.402 3.541 0 40 IHAB O=C(Cn1c(=O)cc(-c2nc(C3CC3)no2)c2ccccc21)NCc1ccc(Cl)cc1 65154446 MKRNIQJWRCYIKM-UHFFFAOYSA-N 434.883 3.899 0 40 IHAB CC(C)CN(CC(=O)NC1CCN(C(=O)CCc2ccccc2)CC1)c1cccc(O)c1 72308468 WGZZDXZLEVDOBO-UHFFFAOYSA-N 437.584 3.595 0 40 IHAB CN1CCN(C2CCN(c3ncc(-c4ccsc4)c(-c4nccs4)n3)CC2)CC1 72396680 RFFBDYOZUZYGGI-UHFFFAOYSA-N 426.615 3.545 0 40 IHAB O=CN(O)[C@H](CS(=O)(=O)Cc1ccc(OCc2ccccc2)cc1)c1ccccc1 73633119 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3.696 0 40 IHAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2Cc2ccccn2)N1Cc1ccncc1 223510965 TWMVVIGDQXGREP-GOTSBHOMSA-N 426.549 3.894 0 40 IHAB Cc1cc(C)cc(OCCNC(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)c1 224106119 YNSMZRLJDTWMCI-UHFFFAOYSA-N 438.549 3.937 0 40 IHAB COc1cc(OC)cc(OCC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NCC(C)C)c1 224164828 QYSMYFUETDDYCR-IBGZPJMESA-N 442.556 3.581 0 40 IHAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-n3cnnc3)c2C)cc1 224195705 DBDONLINHFSYAI-YADHBBJMSA-N 429.553 3.888 0 40 IHAB CCCc1ccc(OCCNC(=O)[C@@H](CC)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 224311317 UBEJHFLJTUVKEW-OAQYLSRUSA-N 436.549 3.518 0 40 IHAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc2c(c1)OCCO2 224348491 FMCDMZNZCLGWRD-FQEVSTJZSA-N 444.959 3.987 0 40 IHAB Cc1cccc(CS(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3F)cc2)c1 224547613 MZXJCRMYKOTJAJ-UHFFFAOYSA-N 434.514 3.877 0 40 IHAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1OC 224631116 NPWZXXLJDCWGOG-OAQYLSRUSA-N 426.557 3.962 0 40 IHAB COc1ccc(C(=O)Nc2c(C)cc(Br)cc2C)cc1S(=O)(=O)N(C)C 226044849 OMAWAOGLLXOYBO-UHFFFAOYSA-N 441.347 3.577 0 40 IHAB CCNC(=O)C1(Cc2cccc(-c3cncnc3)c2)CCN(C(=O)c2ccccc2)CC1 257207453 BHUNAFGJMXDGLK-UHFFFAOYSA-N 428.536 3.745 0 40 IHAB COc1ccc(Cl)cc1N(CCCC(=O)NC[C@H](C)c1ccccc1)S(C)(=O)=O 260851000 UTJADPPJQFWSHQ-INIZCTEOSA-N 438.977 3.815 0 40 IHAB CC(C)n1nccc1[C@@H]1CN(C(=O)c2ccoc2)C[C@]12CCCN(Cc1ccccn1)C2=O 306130914 JSNFKCWRZFTIIB-SQJMNOBHSA-N 447.539 3.501 0 40 IHAB O=C1N(Cc2ccccc2)CCO[C@]12CN(Cc1cccc(F)c1)C[C@@H]2c1cccnc1 306143525 YEPMFWPJJIPTDD-RSXGOPAZSA-N 431.511 3.618 0 40 IHAB C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408703360 FKYZICGOWGYNGL-NSHDSACASA-N 445.324 3.558 0 40 IHAB CN1C(=O)c2cccc3c(S(=O)(=O)Nc4cc(-c5cccc(F)c5F)[nH]n4)ccc1c23 512357082 FURIMGGICRITRL-UHFFFAOYSA-N 440.431 3.899 0 40 IHAB O=C(Cc1ccc2c(c1)OCO2)N1CCOCCOc2ccccc2Oc2ncccc2C1 1615079102 JTGWSZUDHPZJQH-UHFFFAOYSA-N 448.475 3.583 0 40 IHAB CO[C@@H]1CCN2C[C@@H]1CCCCN(Cc1nccs1)CCOc1ccccc1C2=O 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CCn1cc(C(=O)OCC(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)c(=O)c2ccc(C)nc21 8015340 SUJVYXLEROJSQA-RIFZZMRRSA-N 428.529 3.886 0 40 IHAB Cc1ccc(Cn2c(=O)c3cccnc3n(CC(=O)Nc3cc(Cl)ccc3C)c2=O)cc1 8604869 JMIHLJPLVZHYOW-UHFFFAOYSA-N 448.910 3.515 0 40 IHAB C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O)c1ccc(-c2ccccc2)cc1 8634696 CFYFEYGDHLUKDW-DWXRJYCRSA-N 427.504 3.998 0 40 IHAB COc1ccc(Cc2nnc(SCCCOc3ccc(C=O)cc3OC)n2C)cc1 8731747 BMEWDZUWMKPGSI-UHFFFAOYSA-N 427.526 3.797 0 40 IHAB CCOc1ccc(C(=O)NCC(=O)OCC(=O)C23CC4CC(CC(C4)C2)C3)cc1OCC 8825150 MLPKJPCPQWXHBT-UHFFFAOYSA-N 443.540 3.543 0 40 IHAB Cc1cc(C)n2nc(SCC(=O)Nc3ccc4c(c3)OC3(CCCCC3)O4)nc2n1 8899957 IXEPREHGMAIFCJ-UHFFFAOYSA-N 425.514 3.904 0 40 IHAB O=C(COC(=O)c1c(Cl)cccc1Cl)NC(=O)NC12CC3CC(CC(C3)C1)C2 9127295 LPQSIPHWNDBLFF-UHFFFAOYSA-N 425.312 3.945 0 40 IHAB Cc1ccc(-c2cc(NC(=O)CN3CCC(n4c(=O)[nH]c5ccccc54)CC3)on2)cc1 9217657 GCIGTUAIPDZLHT-UHFFFAOYSA-N 431.496 3.569 0 40 IHAB C[C@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)Nc1nc2ccccc2s1 9252880 SLUWZZBMZNQWJC-VIFPVBQESA-N 430.338 3.909 0 40 IHAB O=C1S/C(=C\C(Cl)=C\c2ccccc2)C(=O)N1CC(=O)N1CCCC[C@H]1CCO 9253199 ZFFGBMCATFBPQG-YXRSGAOBSA-N 434.945 3.609 0 40 IHAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@@H](C)c3ccc(CC(C)C)cc3)C2=O)cc1 9506768 AEKMCKSHNCSSOE-GKVSMKOHSA-N 437.540 3.538 0 40 IHAB O=c1[nH]c2cc3c(cc2cc1CN(C[C@@H]1CCCO1)C(=S)Nc1ccccc1)OCO3 9669197 UEIBEIAUVABBEO-SFHVURJKSA-N 437.521 3.635 0 40 IHAB COc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3nc(C)c(C(C)=O)s3)c2)cc1 9714861 YDWLZMQZTBVQOD-UHFFFAOYSA-N 445.522 3.716 0 40 IHAB C[C@@H](NC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(F)c(F)c1 9801068 OHPKZKDJFKGDHO-OAHLLOKOSA-N 437.512 3.700 0 40 IHAB COc1ccc(OC)c(-c2ccc(SCC(=O)Nc3ccc(NC(C)=O)cc3)nn2)c1 10220836 UDJRHAKLTDYLQE-UHFFFAOYSA-N 438.509 3.850 0 40 IHAB C[C@@H](Sc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)C(=O)Nc1ccccc1F 11363735 PVQLNCVOJKJJPT-HUUCEWRRSA-N 427.501 3.834 0 40 IHAB Cc1ccc(NS(=O)(=O)c2cccs2)cc1S(=O)(=O)Nc1ccccc1F 12508240 TXFPJCDIPPHLJF-UHFFFAOYSA-N 426.516 3.797 0 40 IHAB COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3ccco3)nn2[C@H]1c1cccnc1 12540369 IEBAMZHFPLGMMY-FQEVSTJZSA-N 428.452 3.869 0 40 IHAB CC[C@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NCCC(C)C 12889020 RCLHISSQUHDLQE-ULUCGAEXSA-N 445.629 3.728 0 40 IHAB biogenic CC[C@H]1CCCCN1C(=O)CN1C(=O)N[C@](c2ccccc2)(c2ccc(C)c(C)c2)C1=O 13165188 LAFMZWMMAVORGX-BKMJKUGQSA-N 433.552 3.890 0 40 IHAB O=C(CSc1nnc(-c2ccccn2)c(-c2ccccn2)n1)c1ccc2c(c1)OCCO2 13566510 SZILZQICXBGINE-UHFFFAOYSA-N 443.488 3.742 0 40 IHAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCCSc4ccccc43)cc2)C[C@@H](C)O1 14227686 LBOACQLDQCQJGL-CALCHBBNSA-N 446.594 3.627 0 40 IHAB C[C@@H](c1nnc(SCC(=O)c2ccc(Cl)cc2)n1C)N1C(=O)COc2ccccc21 15019127 CLRPZTSERMTHGS-ZDUSSCGKSA-N 442.928 3.930 0 40 IHAB Cc1ccc(CNCc2ccc(OC[C@H](O)c3ccc4c(c3)n(C)c(=O)n4C)cc2)cc1 16292420 RYBQCEZHIIKYGK-VWLOTQADSA-N 431.536 3.588 0 40 IHAB CCN(CC)S(=O)(=O)c1cccc(C(=O)NCCCc2nc3ccccc3s2)c1 16471515 KEHKFBZNGHEUDV-UHFFFAOYSA-N 431.583 3.689 0 40 IHAB O=C(CC(c1ccccc1)c1ccccc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 17846552 XREMSDVUIGMYRS-UHFFFAOYSA-N 448.588 3.883 0 40 IHAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3S(=O)(=O)c3cccnc3)cc2N1 19451304 GHHUMFPSNJOJRL-BHYGNILZSA-N 443.495 3.748 0 40 IHAB CCNC(=O)[C@]1(Cc2cccc(-c3ccc(F)cc3)c2)CCN(C(=O)c2cccnc2N)C1 19529067 RLFWYQBVWSHCTI-SANMLTNESA-N 446.526 3.681 0 40 IHAB CCNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CN(C(=O)CC2CCCCC2)CCO1 19529244 SRCZRZBYWDVULT-HHHXNRCGSA-N 449.595 3.995 0 40 IHAB CN(C)C(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CCCN(C(=O)c2cccnc2)C1 19579373 PEAJKZJREKXVKU-SANMLTNESA-N 428.536 3.697 0 40 IHAB Cn1cc(CN2CCO[C@H](c3ccc(-c4cccc(C(N)=O)c4)cn3)C2)c2ccccc21 19693639 LQWPXXPAOLNSNB-VWLOTQADSA-N 426.520 3.913 0 40 IHAB COc1cc(C)c(CN2CC[C@@H](c3nc(N(C)C)ncc3-c3cncnc3)C2)c(C)c1C 19695050 WBTNLGXDLMABHS-LJQANCHMSA-N 432.572 3.923 0 40 IHAB Cc1nc([C@H]2CCCN(C(=O)c3cnccn3)C2)nc2c1CCCN2Cc1ccc(F)cc1 19706547 HWYPTWCICWECAE-IBGZPJMESA-N 446.530 3.687 0 40 IHAB CCC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(Cl)c1 20006446 VJWBNAFZCYZTIU-DNVCBOLYSA-N 438.977 3.543 0 40 IHAB COc1ccccc1[C@@H](C)NC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(C)(=O)=O 20015420 VMHWUULBYMQXLR-CYBMUJFWSA-N 445.368 3.641 0 40 IHAB COc1ccc(C(=O)Nc2cc(F)ccc2C)cc1S(=O)(=O)NCCc1ccccc1 20025186 NKKTUFJRAHZXFB-UHFFFAOYSA-N 442.512 3.916 0 40 IHAB Cc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2)cc1 20490054 BEBKGLWXXQPFPN-UHFFFAOYSA-N 434.989 3.849 0 40 IHAB CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(OCC(=O)NC2CCCC2)cc1 22232949 ZQCSVUFSUMROAF-UHFFFAOYSA-N 436.961 3.744 0 40 IHAB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NCCCc1ccc(F)cc1 22279204 QTQKCVJMWZOEQO-UHFFFAOYSA-N 426.513 3.770 0 40 IHAB COc1ccc(OC)c(NC(=O)[C@@H](C)N2CCN(Cc3ccc(C(C)C)cc3)CC2)c1 22919513 AQGLHIAHICDSMZ-LJQANCHMSA-N 425.573 3.972 0 40 IHAB COc1ccc(CN(C)CN2C(=O)N[C@](Cc3ccccc3)(c3ccccc3)C2=O)cc1F 24584960 VRDSQBOKKKBKBK-AREMUKBSSA-N 447.510 3.914 0 40 IHAB CC1CCN(C(=O)[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)c3ccccc3O2)CC1 26113512 OGNRNFQWDZLDHL-HXUWFJFHSA-N 434.945 3.555 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1 28677930 LGAZXYAGAFCMSK-OAHLLOKOSA-N 437.569 3.999 0 40 IHAB Cc1ccc(N(CC(=O)NCCc2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 31082425 KFCJEQJMGARBQO-UHFFFAOYSA-N 426.513 3.688 0 40 IHAB CCCC[C@@H](c1nnnn1Cc1ccc2c(c1)OCO2)N1CCN(c2ccccc2)CC1 35289902 COROWWIUDGRCOB-NRFANRHFSA-N 434.544 3.504 0 40 IHAB Cc1cc2nc(Sc3nnc([C@@H]4COc5ccccc5O4)n3C)c3ccccc3n2n1 40071552 GJTXDHRRLSKURH-SFHVURJKSA-N 430.493 3.983 0 40 IHAB O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)NCCNc1ncccn1 48290367 ZXHXPIMZWNBPEM-UHFFFAOYSA-N 432.915 3.754 0 40 IHAB COc1cccc(-n2nnc(C(=O)NCCc3ccc(Cl)cc3)c2-c2cccnc2)c1 49003643 GIVQUFBSJRGSCM-UHFFFAOYSA-N 433.899 3.964 0 40 IHAB COc1cc(OC)c([C@@H]2CC(=O)N(c3ccccc3)c3c2sc(=O)n3C)cc1OC 49546783 XBRRYBRBLQIQHR-HNNXBMFYSA-N 426.494 3.673 0 40 IHAB CC[C@H](C)n1c(SCC(=O)N2CCOc3ccc(C)cc32)nc2cc(C)[nH]c2c1=O 67239054 TWTNUWLPJABQCB-HNNXBMFYSA-N 426.542 3.830 0 40 IHAB O=C(c1ccccc1)N1CCCCC[C@H]1C1CCN(Cc2nnnn2-c2ccccc2)CC1 69840492 GZKHDGJUZUTMJS-DEOSSOPVSA-N 444.583 3.959 0 40 IHAB Cc1ccc(/C=C/S(=O)(=O)Nc2cc(S(=O)(=O)NC(C)(C)C)c(F)cc2F)cc1 72301057 COZJFBRVNDRYHP-MDZDMXLPSA-N 444.525 3.763 0 40 IHAB COc1cccc(C(=O)N2CCN(C)C(=O)[C@H]2Cc2ccccc2-c2ccccc2OC)c1 72351473 BZLHWDPNQGFQOJ-XMMPIXPASA-N 444.531 3.896 0 40 IHAB CC(=O)NCC(=O)N1CCC[C@H](c2cc(Cc3cccc(C(F)(F)F)c3)cc(C)n2)C1 72354079 KTTYQWXATITTHL-IBGZPJMESA-N 433.474 3.842 0 40 IHAB CCc1ccccc1NC(=O)CN1CCN(Cc2ccc(SC(=O)N(C)C)cc2)CC1 79053289 JLEHAMLSAJRCNN-UHFFFAOYSA-N 440.613 3.779 0 40 IHAB COc1ccc(NC(=O)C2=NO[C@]3(CCCN(C(=O)Nc4ccc(F)cc4)C3)C2)cc1 96225148 YFCBUGXIMSZQEA-JOCHJYFZSA-N 426.448 3.616 0 40 IHAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1nc2ccc(Oc3ccccc3)cc2s1 102288703 CFWORMHLUNYBFJ-IRXDYDNUSA-N 433.489 3.978 0 40 IHAB Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(C(F)(F)F)cc1)C1=C(O)c3ccccc3C1=N2 102931176 AAIYPRXAORXJLO-OAHLLOKOSA-N 439.393 3.652 0 40 IHAB CC[C@H](C(=O)N[C@H]1CC(C)(C)Oc2ccccc21)N(c1cccc(C)c1)S(C)(=O)=O 220520245 FJDOFVZVTFSSHE-VQTJNVASSA-N 430.570 3.958 0 40 IHAB CCOC(=O)c1ccc(C)c(NC(=O)[C@H](CC)N(c2cc(C)ccc2C)S(C)(=O)=O)c1 220550324 IQUIGNSVQISUTD-FQEVSTJZSA-N 446.569 3.972 0 40 IHAB CC[C@@H](C(=O)NCCCc1ccc(OC)cc1)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220576175 YTZGXEWVMRWOLL-QFIPXVFZSA-N 432.586 3.606 0 40 IHAB CCc1ccc(N(CCCC(=O)NCCSC2CCCCC2)S(C)(=O)=O)cc1 222643174 APZKGEBMDMUJSB-UHFFFAOYSA-N 426.648 3.977 0 40 IHAB Cc1ccc(N([C@@H](C)C(=O)NCCOc2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1C 224138370 QRBMYMJUGSFSSB-KRWDZBQOSA-N 438.977 3.615 0 40 IHAB CCc1ccc(OCC(=O)N(Cc2cccc(OC)c2)[C@H](C)C(=O)NCC(C)C)cc1 224444919 CTUDDIDGSWRFLM-LJQANCHMSA-N 426.557 3.826 0 40 IHAB CC[C@@H](C(=O)NCCSC1CCCC1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O 225513795 CKDURIAXDPGZHJ-KRWDZBQOSA-N 437.002 3.816 0 40 IHAB CC[C@H](NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1)c1ccc(OC)c(C)c1 225693610 KMKJMZARXYICBH-FQEVSTJZSA-N 428.554 3.732 0 40 IHAB Nc1ccc(-c2cccc(C(=O)N3CCOC[C@H](Cc4cccc5ncccc45)C3)n2)cn1 257265350 LYHVFTDIOWSIFS-GOSISDBHSA-N 439.519 3.605 0 40 IHAB CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1CN(Cc1cccc(OC3CCCC3)c1)CC2 257336500 YOSPEGWFOQZMOY-HXUWFJFHSA-N 449.599 3.734 0 40 IHAB C[C@@H]1CC[C@H]2C(=O)N(c3ccc(C(=O)OCC(=O)Nc4ccc(F)cc4)cc3)C(=O)[C@@H]2C1 408664844 PMUHACYOGIYAJY-JSNMRZPZSA-N 438.455 3.547 0 40 IHAB COc1ccc(CCNC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1 408863298 LRHCYWLFIWXULU-UHFFFAOYSA-N 443.591 3.986 0 40 IHAB COc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2cc(OC)c(OC)cc2C)C1=O 409202284 QQHWTGCLWUZJEM-ODLFYWEKSA-N 442.493 3.696 0 40 IHAB COc1cc(Br)ccc1-c1noc(CCc2nc(-c3ccccn3)no2)n1 545048457 QHRUNZWHGPUHHL-UHFFFAOYSA-N 428.246 3.738 0 40 IHAB CC(C)CN1CCC2(CCCCCNC(=O)c3ccccc3OC[C@H](C)NC2=O)CC1 643581152 ANGQOKVITOEFGD-FQEVSTJZSA-N 429.605 3.612 0 40 IHAB Cc1ccc(C(=O)N2CCN(C(=O)N(C)Cc3ccccc3)CC2)cc1Br 1542059051 TUGLAMOESIKVCV-UHFFFAOYSA-N 430.346 3.767 0 40 IHAB COc1ccc(C)cc1N(CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1C2)S(=O)(=O)c1ccc(C)cc1 656760 DXDYIXHWLVOUSY-QKNQBKEWSA-N 442.581 3.812 0 40 IHAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CCCC[C@H]3C(=O)O)cc2)c(C)c1 675180 BLKPOIYAWPEWFU-RBUKOAKNSA-N 430.526 3.934 0 40 IHAB COC(=O)c1ccc(Oc2c(C)oc3cc(OC(C)=O)cc(OC(C)=O)c3c2=O)cc1 952677 MXDYYFHCHZXXMS-UHFFFAOYSA-N 426.377 3.531 0 40 IHAB O=C(NCc1ccccc1)[C@@H](c1ccco1)N(C(=O)c1csnn1)c1ccc(F)cc1 1356972 QNQAZNFLFDTBTB-HXUWFJFHSA-N 436.468 3.975 0 40 IHAB COC(=O)COc1cccc([C@H]2Nc3ccccc3S(=O)(=O)N2Cc2ccccc2)c1 2486240 SJWXPNZVTDFPTC-QHCPKHFHSA-N 438.505 3.554 0 40 IHAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)c1C 3556964 IMQIDEZOOWNKHL-UHFFFAOYSA-N 434.989 3.649 0 40 IHAB CCn1c(S[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)nnc1-c1ccco1 8620318 YWWWPPBIRZAUFZ-OAHLLOKOSA-N 427.530 3.514 0 40 IHAB CN[C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(NCc3ccccn3)c(=O)cc21 8740365 SPIIPQORGSBXPM-FQEVSTJZSA-N 447.535 3.953 0 40 IHAB biogenic Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N(C)Cc2ccc3c(c2)OCO3)cc1 8744684 TVZQMBGULKMUJT-UHFFFAOYSA-N 427.460 3.695 0 40 IHAB Cc1ccccc1OCC(=O)Nc1nc2ccc(S(=O)(=O)N3CCCCC3)cc2s1 8834056 GFZBKWDREWEFNO-UHFFFAOYSA-N 445.566 3.797 0 40 IHAB C[C@H](Sc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)C(=O)N(C)Cc1ccccc1 8901451 PJAYTMNTVQIEIO-PKOBYXMFSA-N 437.565 3.715 0 40 IHAB COc1ccccc1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 9094879 YBSFIENUJYEZES-FQEVSTJZSA-N 444.940 3.877 0 40 IHAB COc1ccccc1C(=O)CN1C(=O)NC(c2ccc(F)cc2)(c2ccc(F)cc2)C1=O 9166248 PFZPCYVFPCLQCG-UHFFFAOYSA-N 436.414 3.652 0 40 IHAB CCCn1c(SCC(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)n[nH]c1=O 9166997 ZXIWJIIKBGQNPH-UHFFFAOYSA-N 434.525 3.565 0 40 IHAB COc1ccc(C)cc1NC(=O)[C@@H](Sc1nnnn1C[C@H]1CCCO1)c1ccccc1 9255349 HTCIESNKNOWRAU-XLIONFOSSA-N 439.541 3.641 0 40 IHAB COCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccc(Br)cc1 9409017 YTCZOZWSWNNKEN-LJQANCHMSA-N 428.286 3.736 0 40 IHAB CCCN(C(=O)CNC(C)=O)C1(C(=O)NC(c2ccccc2)c2ccccc2)CCCCC1 9434789 SWQDJNLSRZQCSM-UHFFFAOYSA-N 449.595 3.970 0 40 IHAB CC[C@@H](C)[C@H](NC(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12)C(=O)NC1CCCCCC1 9449647 MMHWBXLBUASUDR-BBOHXYNISA-N 443.613 3.626 0 40 IHAB COc1ccc(-c2noc(CSc3nnnn3-c3ccc(Cl)cc3)n2)c(OC)c1 9465674 UHFGAJAMLZPNTB-UHFFFAOYSA-N 430.877 3.675 0 40 IHAB Cc1ccccc1-n1c(SCC(=O)N2CCOCC2)nnc1-c1c[nH]c2ccccc12 9561807 IFRQJCBZFKGWQZ-UHFFFAOYSA-N 433.537 3.675 0 40 IHAB CC(=O)c1ccc(N2CCN(C(=O)c3ccc(Cl)cc3N3CCCC3=O)CC2)c(F)c1 9596253 DNZKOBFLJKHMNF-UHFFFAOYSA-N 443.906 3.771 0 40 IHAB Cc1nc(SCC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)n(C2CCCC2)c1C 9729771 SZYNCZIGQSLBOK-FQEVSTJZSA-N 447.626 3.927 0 40 IHAB C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)c1ccc2c(c1)OCCO2 9883739 KUQMYGGHOMMFJX-GCJKJVERSA-N 430.504 3.676 0 40 IHAB CSc1ccccc1NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 10084497 BZRWZHLJGAPKEZ-UHFFFAOYSA-N 436.463 3.720 0 40 IHAB CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4ncsc4c3)cc2)s1 10381895 VKNHBHPNUYUHFY-UHFFFAOYSA-N 445.551 3.763 0 40 IHAB Cc1ncc(-c2ccncc2)c([C@H]2CCCN(C(=O)C[C@H]3OC(=O)c4ccccc43)C2)n1 12088633 HIMHIOKBPBRRGG-PGRDOPGGSA-N 428.492 3.855 0 40 IHAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCn2cccc2[C@H]1c1ccc(Cl)cc1 12361405 LXUATKIUWBYTSI-OAQYLSRUSA-N 430.913 3.707 0 40 IHAB C[C@@H](Sc1ccc(S(=O)(=O)N2CCCC2)cn1)C(=O)Nc1cccc(Cl)c1 12517417 PVEZODUFAGQCSC-CYBMUJFWSA-N 425.963 3.639 0 40 IHAB O=C(NCc1ccccc1)N(Cc1ccco1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 12710851 BBLKOWIKUOKYJA-UHFFFAOYSA-N 431.448 3.762 0 40 IHAB C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccn(C)c2)CC1)c1ccc(Cl)cc1Cl 12763371 KYYWVYHNEHXFOM-CYBMUJFWSA-N 444.384 3.610 0 40 IHAB O=C(OCc1nc(-c2ccccc2)no1)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 12789065 GODKIMFOSNAPDL-YZOPDKEQSA-N 435.524 3.987 0 40 IHAB COc1ccc(-c2noc(Cn3cnc4c(Cl)cc(Cl)cc4c3=O)n2)cc1OC 12789253 TZTLTJWOMAGZEI-UHFFFAOYSA-N 433.251 3.819 0 40 IHAB Cc1cc(=O)c(C(=O)OCCOc2ccc(F)cc2)nn1-c1cccc(C(F)(F)F)c1 13027973 NAFZSQMDHMSLNV-UHFFFAOYSA-N 436.361 3.935 0 40 IHAB O=C(COC(=O)CCCSc1nc2ccccc2s1)NC(=O)NCc1ccccc1 13135034 HOUXQCBRFMHLJU-UHFFFAOYSA-N 443.550 3.738 0 40 IHAB Cc1ccc(C)c(N2CCN([C@H](c3ccccc3F)c3nnnn3Cc3ccco3)CC2)c1 13505106 AGVXOHRYNKPRRN-XMMPIXPASA-N 446.530 3.982 0 40 IHAB COc1ccc(OC)c(NC(=O)CSc2nc(-c3cc(Cl)ccc3OC)n[nH]2)c1 13517653 MCJDCAKROBMOAF-UHFFFAOYSA-N 434.905 3.882 0 40 IHAB Cc1c(CCC(=O)N2CCN(c3nsc4ccccc34)CC2)c(=O)oc2cc(O)ccc12 13624747 IPWFMEJMJUFQLF-UHFFFAOYSA-N 449.532 3.698 0 40 IHAB Cc1nn(CC(=O)c2ccc3c(c2)CCCC3)c(C)c1S(=O)(=O)N(C)Cc1ccco1 14164124 GTSNPBNQKOGNFA-UHFFFAOYSA-N 441.553 3.675 0 40 IHAB CN(CC(=O)Nc1ccc(Br)cc1F)S(=O)(=O)c1ccc(Cl)s1 15008152 YSVFLFPKIYKOND-UHFFFAOYSA-N 441.731 3.562 0 40 IHAB COc1ccc(OC)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)c1 15083285 RUGOYPLMLNOHAW-UHFFFAOYSA-N 438.933 3.784 0 40 IHAB C/C=C/C=C/C(=O)O[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 15180828 LEZIDINFDFHDRP-JRQVOXCDSA-N 440.949 3.517 0 40 IHAB Cc1ccc(N2C(=O)N(CN3CCN(c4cccc(C(F)(F)F)c4)CC3)C(=O)[C@H]2C)cc1 16694964 JGNGXNWWMIDYCM-QGZVFWFLSA-N 446.473 3.951 0 40 IHAB COc1ccc(CC(=O)N(C)C2CCC3(CC2)CN(C(C)=O)Cc2ccccc2O3)cc1 19019807 KWJNRLMYUTWHJX-UHFFFAOYSA-N 436.552 3.819 0 40 IHAB COc1cc(CN2CC[C@H]3[C@@H](C2)[C@H](c2cccc(C)c2)CN3C(C)=O)cc(OC)c1OC 19235211 XUEDZLXCKHYQEX-VABKMULXSA-N 438.568 3.857 0 40 IHAB O=C(CN1CCC[C@@H](c2ccccc2)C1)N1CCC(c2cc(=O)n3c(n2)CCCCC3)CC1 19369947 YTBFUVQUVUBMDQ-HSZRJFAPSA-N 448.611 3.555 0 40 IHAB CC(C)CNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCN(C(=O)c2ccccn2)C1 19447274 ADEHEULDIGGVGU-HHHXNRCGSA-N 442.563 3.991 0 40 IHAB CCc1c(C)nc2cc(-c3cc(C)on3)nn2c1N1CCC[C@@](O)(c2cccnc2)CC1 19521631 IVCBAFBRPVHHEH-DEOSSOPVSA-N 432.528 3.837 0 40 IHAB CCNC(=O)[C@@]1(Cc2ccc(-c3cccc(C)c3)cc2)CN(C(=O)c2cccnc2)CCO1 19529290 YLPWMYZFFWLGCZ-HHHXNRCGSA-N 443.547 3.647 0 40 IHAB CCn1nc(C)c(CN2CCO[C@@H](c3c(C(=O)NC(C)C)sc4ncccc34)C2)c1C 19703206 HBLGEMCWTGDLFG-LJQANCHMSA-N 441.601 3.841 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1C 20006879 XPXQNNLRZPWTHH-OAQYLSRUSA-N 438.549 3.840 0 40 IHAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C)cc2C)cc1C(=O)N1CCCCC1 20036600 NLNWSTYCBXFQKX-SFHVURJKSA-N 430.570 3.978 0 40 IHAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)O[C@@H](C)C(=O)Nc2cccc3ccccc23)c1 21140468 KDERJCBVRMMVBS-AWEZNQCLSA-N 433.464 3.941 0 40 IHAB CCCC[C@@H](CC)CNC(=O)CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2 22993405 CLNQCEPIUKBPHZ-GOSISDBHSA-N 440.606 3.629 0 40 IHAB CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)CN1C[C@H](C)O[C@@H](C)C1 23224684 PREHQJYVZNQTCN-GJZGRUSLSA-N 432.542 3.648 0 40 IHAB C[C@@H](O)CNCCNCc1cc(Br)ccc1OCc1ccccc1Cl 23469530 VAZDKIFGRYMKHV-CQSZACIVSA-N 427.770 3.742 0 40 IHAB O=C(c1ccc(Cn2nnc3ccccc32)cc1)N1CCN(C/C=C/c2ccccc2)CC1 23936642 MQXCHPVJRKVIFH-RMKNXTFCSA-N 437.547 3.951 0 40 IHAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(Cc1nnnn1-c1ccccc1)CC2 23983171 XDGJSCHAHJVNDD-RUZDIDTESA-N 427.508 3.827 0 40 IHAB Cc1cc(C(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)c2c(C)nn(C)c2n1 24487055 UTMNZFBTIVXOPJ-UHFFFAOYSA-N 443.463 3.818 0 40 IHAB O=C(OCc1cnn(-c2ccccc2)c1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 24992320 FTMLOZBGXDEXIN-UHFFFAOYSA-N 427.416 3.619 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NC2CCCCCCC2)c(Cl)c1 28208283 UKLIXFXSXZUNRZ-UHFFFAOYSA-N 430.998 3.978 0 40 IHAB O=C(CCc1ncc(-c2c(F)cccc2F)o1)NC[C@H](c1ccccc1)N1CCOCC1 30704724 GZBZVQFGZGWRTM-HXUWFJFHSA-N 441.478 3.742 0 40 IHAB O=C(NCCc1ccc2c(c1)OCCO2)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1 32784228 ZGCGIEUGHVYKBJ-NRFANRHFSA-N 444.531 3.822 0 40 IHAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(OCc3cc(=O)n4oc(C)cc4n3)cc2)cc1 35378611 IRFGILJBQORIKD-KRWDZBQOSA-N 433.464 3.889 0 40 IHAB O=C(NCC1CC1)[C@@H]1CCCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)C1 40150112 ZPTWINUSDRVTRN-GOSISDBHSA-N 434.565 3.979 0 40 IHAB CCOC(=O)N1CCN(C(=O)CCc2c(C)c3cc4c(C)coc4c(C)c3oc2=O)CC1 40309144 DAKIPBCLXAOYRI-UHFFFAOYSA-N 440.496 3.698 0 40 IHAB biogenic Cc1cn2c(=O)cc(COc3cccc(NC(=O)c4ccc5c(c4)OCO5)c3)nc2s1 41077415 QLHQTGYFOTUEDU-UHFFFAOYSA-N 435.461 3.624 0 40 IHAB Cc1ccc([C@H](NC(=O)CN2CCC[C@@H]2CN2C[C@H](C)O[C@H](C)C2)c2cccs2)cc1 48341276 PXZFBPRVZMVVDZ-GFMPLVLUSA-N 441.641 3.836 0 40 IHAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 58194348 REMZBZSSXSWNJP-SJKOYZFVSA-N 431.514 3.603 0 40 IHAB Cc1nc([C@@H]2CCCN2S(=O)(=O)c2ccccc2)nc2c1CCCN2Cc1ccccn1 72372940 YRQWKFBTVZZQCJ-QFIPXVFZSA-N 449.580 3.659 0 40 IHAB Cc1c(COC(C)C)cccc1NC(=O)N1CCN(C)C[C@H]1CNC(=O)OC(C)(C)C 84041335 VJJOQNLYGILKBW-LJQANCHMSA-N 434.581 3.593 0 40 IHAB CCOC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N(CC)Cc1csc(CC(=O)NC)n1 89969377 WXJMLTBMMQFECL-SFHVURJKSA-N 444.384 3.865 0 40 IHAB O=C(CN1CCN(c2ccc(O)cc2)CC1)N1CCc2sccc2[C@@H]1c1cccs1 95946810 XCFNSGUHRVTROQ-HSZRJFAPSA-N 439.606 3.812 0 40 IHAB CSCC[C@H](NC(=O)CCn1cc(C(C)=O)c2ccccc21)c1nnc2ccccn12 96117598 QXXORBKIRCERDF-IBGZPJMESA-N 435.553 3.887 0 40 IHAB CC(C)NC(=O)N1CCC2(CC1)C[C@H](CC(=O)NCc1ccco1)c1ccccc1O2 96243001 PASOLZKIXMESLR-SFHVURJKSA-N 425.529 3.805 0 40 IHAB CCCn1/c(=N/C(=O)c2ccc3ncsc3c2)sc2cc(S(C)(=O)=O)ccc21 101061426 MABKYPDBULKIMA-VZCXRCSSSA-N 431.564 3.867 0 40 IHAB Cc1nc(-n2cccc2)sc1C(=O)N1[C@H]2CC[C@H]1CC(S(=O)(=O)c1ccccc1)C2 101323020 RUQCZUVRZZGMRE-IRXDYDNUSA-N 441.578 3.852 0 40 IHAB CCOC(=O)[C@@H]1CCCN([C@H](c2ccccc2Cl)c2sc3nc(C)nn3c2O)C1 102879021 XWJGSEFESMLQHZ-CZUORRHYSA-N 434.949 3.823 0 40 IHAB COc1ccc(CCNC(=O)[C@H]2Cc3ccccc3CN2Cc2ccc(O)cc2)cc1OC 199427807 CPQMLGPRCPLMDT-XMMPIXPASA-N 446.547 3.695 0 40 IHAB COc1ccc(-c2noc(CNC(=O)C3CCN(Cc4ccccc4Cl)CC3)n2)cc1 219410523 FKXACGBTFFXIMY-UHFFFAOYSA-N 440.931 3.927 0 40 IHAB CS(=O)(=O)N(CC(=O)NCCSC1CCCCC1)c1ccc(C(F)(F)F)cc1 220044075 XPLDMMIMKCKGER-UHFFFAOYSA-N 438.537 3.654 0 40 IHAB CCOC(=O)c1cccc(NC(=O)CCCN(c2cc(C)cc(C)c2)S(C)(=O)=O)c1C 222573845 JFKKVRZYIVJWSJ-UHFFFAOYSA-N 446.569 3.973 0 40 IHAB COc1ccc(C)cc1NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1 223889506 JYCLLBIMNLNGAE-UHFFFAOYSA-N 438.918 3.562 0 40 IHAB CCc1ccc2c(c1)C(=O)CC1(CCN(S(=O)(=O)c3ccc(OC)c(C)c3)CC1)O2 225818247 VHFGHWNJNVTPPV-UHFFFAOYSA-N 429.538 3.755 0 40 IHAB Cc1cc(Nc2ncc(C)s2)cc([C@H]2CN(C(=O)c3n[nH]c4c3CCCC4)CCO2)n1 257244275 IKQFJCFDSWTOKU-LJQANCHMSA-N 438.557 3.714 0 40 IHAB O=C(Cn1ncc2ccccc2c1=O)N1CCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257260011 LAZHBHYTULRLSA-OAQYLSRUSA-N 448.910 3.992 0 40 IHAB O=C(COc1ncnc2ccccc12)N1CCC[C@@H](c2ncc(Cc3ccccc3)o2)C1 257267875 MJECAJWUHKQIFD-LJQANCHMSA-N 428.492 3.994 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3c(OC)cccc3OC)cc2)cc1 408564150 SBAASPWJJYRLNI-UHFFFAOYSA-N 442.493 3.766 0 40 IHAB CCn1cc(C(=O)N2CCN(c3ccccc3OC)CC2)c(=O)c2cc(Cl)ccc21 408713402 XBDHNMUNKFSASK-UHFFFAOYSA-N 425.916 3.646 0 40 IHAB CCc1cccc2c(/C=C3\SC(=O)N(CCc4ccccc4)C3=O)cn(CC(N)=O)c12 409126212 NIMJNMKFLUKZJQ-MOSHPQCFSA-N 433.533 3.968 0 40 IHAB CCOC(=O)COc1ccc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OCC 409169342 XOGGWASFEYBULX-GZTJUZNOSA-N 444.871 3.778 0 40 IHAB CCOc1cc(C)c(/C=C2\SC(=O)N(CC(=O)NC[C@H]3CCCO3)C2=O)cc1C(C)C 409210701 KBGVNWLNODFNEF-LELXDKESSA-N 446.569 3.849 0 40 IHAB Cc1ccc(CSCCNC(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 409409099 NAZHIXFPIXSMFH-INIZCTEOSA-N 441.018 3.853 0 40 IHAB NC(=O)C([C]1CCN(CCc2ccc3c(c2)CCO3)C1)(c1ccccc1)c1ccccc1 1560407494 KHUJMCFDHGJNSW-UHFFFAOYSA-N 425.552 3.916 0 40 IHAB CCCc1cc(=O)n2c(C(=O)NCc3ccccc3)c(C(=O)Nc3ccccc3)sc2n1 1320832 UNRGHWQGHLDWCC-UHFFFAOYSA-N 446.532 3.891 0 40 IHAB Nc1c(C(=O)NCc2ccccc2)c2nc3ccccc3nc2n1-c1ccc2c(c1)OCO2 2290343 ZSSUVBRNIFWDQX-UHFFFAOYSA-N 437.459 3.815 0 40 IHAB aggregator COc1cccc(C(=O)Nc2ncc3c(n2)C[C@H](c2ccc(OC)cc2OC)CC3=O)c1 2400114 IYJNIFOADGLUTK-HNNXBMFYSA-N 433.464 3.667 0 40 IHAB Cc1ccc(N(CC(=O)NCc2ccccc2F)S(=O)(=O)c2ccccc2)cc1C 3170685 HDGCTNGAMLJPPE-UHFFFAOYSA-N 426.513 3.954 0 40 IHAB COc1ccccc1N1CCN(C(=O)c2nc(-n3nc(C)cc3C)ccc2Cl)CC1 3314124 AXWPNJVKXSPAJZ-UHFFFAOYSA-N 425.920 3.509 0 40 IHAB Cc1ccc2c(COC(=O)c3ccc4c(c3)C(=O)N(Cc3ccco3)C4=O)cc(=O)oc2c1 3372921 VJMUICNTKXBXCX-UHFFFAOYSA-N 443.411 3.848 0 40 IHAB COc1cccc(NC(=O)CN(C)CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 3448590 INNXFZYXOJWJBF-UHFFFAOYSA-N 429.826 3.876 0 40 IHAB CCOC(=O)C[C@H](NC(=O)c1cc2cc(OC)ccc2oc1=O)c1ccccc1Cl 3622841 IQQCKAZHPZJGRN-SFHVURJKSA-N 429.856 3.879 0 40 IHAB biogenic,in-vitro COc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2cccnc2)cc1OC 8846050 OZBZIKMKVYSFEV-QFIPXVFZSA-N 428.444 3.951 0 40 IHAB Cn1c(CC(=O)Nc2ccc(F)c(Cl)c2)nnc1SCC(=O)c1ccc(F)cc1 9030950 OYIRHAHPLAHXFI-UHFFFAOYSA-N 436.871 3.903 0 40 IHAB O=C(NCc1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 9245527 WEZCMYUOSSMNEW-UHFFFAOYSA-N 426.513 3.696 0 40 IHAB Cc1ccc(-n2c(SCC(=O)Nc3ccc(C(N)=O)cc3)nnc2-c2ccco2)cc1 9309156 PCCFCWRTTGPWGD-UHFFFAOYSA-N 433.493 3.665 0 40 IHAB CCOC(=O)C1=C(C)Nc2nc(SCc3ccccc3)[nH]c(=O)c2[C@H]1c1cccnc1 9393850 DWVCDCPROXNOBC-SFHVURJKSA-N 434.521 3.852 0 40 IHAB COc1ccc(OC)c(-n2c(N)c(C(=O)NCCC(C)C)c3nc4ccccc4nc32)c1 9424548 QSGIBXSGAIZVKN-UHFFFAOYSA-N 433.512 3.949 0 40 IHAB CCCSc1ncc(Cl)c(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)n1 9431822 GCKRVFRMJSGBPE-UHFFFAOYSA-N 442.975 3.898 0 40 IHAB COc1ccc(OC)c(COC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 9465584 WXDOZXDBBXELRV-UHFFFAOYSA-N 433.526 3.626 0 40 IHAB O=C(CSc1nnc(NCc2ccco2)s1)Nc1cc(Cl)ccc1-n1cncn1 9513900 PRNIVMKKVIJWTJ-UHFFFAOYSA-N 447.933 3.708 0 40 IHAB CCc1nnc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(C)cc2C)s1 9517765 GPVMGNLQUBFMQC-UHFFFAOYSA-N 425.543 3.577 0 40 IHAB Cc1cc(NC(=O)c2cccc(F)c2)n(-c2ncnc3c2cnn3-c2ccc(F)cc2)n1 9661200 YNEJPJQESJNHRM-UHFFFAOYSA-N 431.406 3.840 0 40 IHAB Cn1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)n1 9955247 CWESWNAAPHNZAG-UHFFFAOYSA-N 425.297 3.780 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCCN3CCCCCC3)cc2)cc1 10111235 KGHPCOKUCNMWRV-UHFFFAOYSA-N 429.586 3.792 0 40 IHAB O=C(COCc1nc2ccccc2c(=O)[nH]1)N[C@@H]1CC2(CCCCC2)Oc2ccccc21 12156734 LMLQXZJRROVJJV-HXUWFJFHSA-N 433.508 3.783 0 40 IHAB CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccc2NC(=O)Nc2ccccc2)cc1 12584791 XRGMLJMUNAXXHZ-UHFFFAOYSA-N 445.522 3.535 0 40 IHAB COc1ccc(C(N)=O)c(OCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1 12845172 MMTASRNWBPZEPT-UHFFFAOYSA-N 438.867 3.696 0 40 IHAB Cc1ccc(NC(=O)[C@@H](C)N2CCN(C(=O)c3cccs3)CC2)c(Br)c1 12909794 WJFSULMBEUNJPQ-CQSZACIVSA-N 436.375 3.604 0 40 IHAB COC(=O)c1ccc2c(O)nc(CN3CCC[C@H]3c3ccc4c(c3)OCCCO4)nc2c1 13015465 UGEWAKXIYTVVIA-IBGZPJMESA-N 435.480 3.620 0 40 IHAB Cc1sc2nc(SCC(=O)Nc3sccc3C(N)=O)n(C(C)C)c(=O)c2c1C 13134356 JSIAIVDVMZKQGC-UHFFFAOYSA-N 436.584 3.547 0 40 IHAB COc1ccc(-c2csc(NC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)n2)cc1 13141129 DJDVMLDLDASUTC-UHFFFAOYSA-N 443.550 3.856 0 40 IHAB Cc1cccc(C)c1NC(=O)CSC(=S)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 13572403 RIEHMTLPCKPGCA-SJORKVTESA-N 427.595 3.541 0 40 IHAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(Cl)c2C)C1 13580674 PCBANDXSLNLKCZ-AWEZNQCLSA-N 440.924 3.836 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N1c2ccccc2C[C@H]1C 13669695 POWPXTGATIQJDR-QGZVFWFLSA-N 428.554 3.851 0 40 IHAB O=C(CCCNC1=NS(=O)(=O)c2ccccc21)Nc1ccc(Oc2ccccc2)cc1 14093659 QWGKFMKXHPCEGO-UHFFFAOYSA-N 435.505 3.936 0 40 IHAB CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)/C=C/c3ccco3)cc2Cl)CC1 14271648 GTJMOAZWDTYNSQ-SOFGYWHQSA-N 446.960 3.518 0 40 IHAB CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)COc1cccc2ccccc12 14863342 YKPWFVYIUUSXPE-UHFFFAOYSA-N 447.535 3.542 0 40 IHAB Cc1c(C(=O)Nc2ccc3c(c2)OCCCO3)sc2nc3n(c(=O)c12)CCCCC3 15810179 OGEYHNMQGJMEEJ-UHFFFAOYSA-N 425.510 3.906 0 40 IHAB O=C(c1cc2ccccc2o1)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 17847769 JKMQQWVUFVUUDT-UHFFFAOYSA-N 438.427 3.598 0 40 IHAB Cc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@@H](O)c3ccc(N4CCCC4=O)cc3)CC1)O2 19219255 MMWNFJZEJZJHQC-XZOQPEGZSA-N 436.552 3.506 0 40 IHAB Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@H]2CCCN2C(=O)Cc2ccccc2F)n1 19290221 YXTOSEXYPRUOOE-OAQYLSRUSA-N 434.519 3.523 0 40 IHAB OC1(Cn2c(C(F)(F)F)cc3cccnc32)CCN(Cc2nc3ccccc3[nH]2)CC1 19375833 IZACZQIVMWZQKZ-UHFFFAOYSA-N 429.446 3.959 0 40 IHAB CC(C)NC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)[C@H]2CCCO2)C1 19449171 JIJPMOVYALTXKI-HYBUGGRVSA-N 426.582 3.880 0 40 IHAB CCCN1CCN(Cc2nccn2CC)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O 19503362 FUVJGGMSQIIQDW-HSZRJFAPSA-N 431.584 3.878 0 40 IHAB CCCn1ccc(C(=O)N2CCO[C@H](c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)n1 19526117 CRVHPNIXIZLUDI-INIZCTEOSA-N 435.406 3.576 0 40 IHAB COCCNC(=O)c1cc([C@H]2CN(Cc3cccc(C)c3OC)CCO2)nc2ccccc12 19762364 OUFZOKBXDMJNPA-XMMPIXPASA-N 449.551 3.502 0 40 IHAB CCN1c2cc(OC)c(OC)cc2C(C)=C(C(=O)Nc2ccccc2Cl)S1(=O)=O 20064034 BJKBKYZJDZSDRS-UHFFFAOYSA-N 436.917 3.897 0 40 IHAB Cc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cccc(C(F)(F)F)c4)ncn3n2)cc1 21024628 YMAAULCXUPLSES-UHFFFAOYSA-N 427.386 3.524 0 40 IHAB Cc1csc2nc(COC(=O)c3cccc(NC(=O)c4ccc(F)cc4)c3)cc(=O)n12 21632982 SXAPAIKXWLRGDX-UHFFFAOYSA-N 437.452 3.813 0 40 IHAB CCCCC1CCC(C(=O)OCC(=O)c2ccc(CCNS(C)(=O)=O)s2)CC1 21760933 ZZPZMTIPYOQFCK-UHFFFAOYSA-N 429.604 3.562 0 40 IHAB CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)Nc1ccc(Cl)cc1C 22252695 KVCVXECKMBYSDQ-UHFFFAOYSA-N 426.922 3.704 0 40 IHAB CCOC(=O)CSCC(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 22260625 YDQULGOPEBFYRX-UHFFFAOYSA-N 446.594 3.792 0 40 IHAB Cc1ccc2c(c1)[C@@H](NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O)CC(C)(C)O2 22330702 KEXINLUSEBDUDE-KRWDZBQOSA-N 436.961 3.833 0 40 IHAB COc1ccc(-n2c(C)nc3ccc(NS(=O)(=O)Cc4ccccc4)cc3c2=O)cc1 22501759 FAGKVJBWOIHSNQ-UHFFFAOYSA-N 435.505 3.645 0 40 IHAB CCOC(=O)c1oc2ccccc2c1CN1CCN(Cc2ccc(OC)c(OC)c2)CC1 22928797 UFXTWVWLXZJXNE-UHFFFAOYSA-N 438.524 3.945 0 40 IHAB Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1ccc(N2CCOCC2)nc1 22995179 XDDVNPOSFCNOOI-UHFFFAOYSA-N 425.920 3.686 0 40 IHAB COc1ccccc1CNS(=O)(=O)c1ccc(SC)c(C(=O)N2CCC(C)CC2)c1 26118521 GANNNHUOIIGLNQ-UHFFFAOYSA-N 448.610 3.768 0 40 IHAB COc1ccc(C(=O)CCC(=O)Nc2ccc(I)cc2)cc1OC 27759119 GKTREMZSJYUCJE-UHFFFAOYSA-N 439.249 3.910 0 40 IHAB CCCCN(C)C(=O)Cn1c([C@H]2CC(=O)N(c3ccccc3OC)C2)nc2ccccc21 27792613 VIEAFRCCDMGIIE-SFHVURJKSA-N 434.540 3.824 0 40 IHAB CCOc1ccc(CN(C(=O)Cc2cccc3ccccc23)[C@H]2CCS(=O)(=O)C2)cc1 28228301 IQEIOUJCDWHIHO-QFIPXVFZSA-N 437.561 3.997 0 40 IHAB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCCO1)Nc1nccs1 28419357 CJHAWGDBJMUQNQ-AWEZNQCLSA-N 435.962 3.965 0 40 IHAB COc1ccc(CSc2nnc(Nc3ccc(C(C)=O)cc3)c(=O)n2-n2cccc2)cc1 28534995 SNNUCBQXZWYOTA-UHFFFAOYSA-N 447.520 3.998 0 40 IHAB COc1cc2c(cc1OC)-c1c(c(C(=O)N3CCOCC3)nn1-c1cccc(Cl)c1)C2 32091018 IUTFOLNQZYYHFM-UHFFFAOYSA-N 439.899 3.587 0 40 IHAB CC(C)Cc1csc2c1c1nc(-c3ccccc3)nn1c(=O)n2CC(=O)N1CCCCC1 32094864 PZFWHPZUAPDVHI-UHFFFAOYSA-N 449.580 3.984 0 40 IHAB C[C@H](OC(=O)CSCC(=O)Nc1ccc(Cl)cc1)C(=O)N(C)Cc1ccccc1 32721579 WHDJQPKNFWVBCB-HNNXBMFYSA-N 434.945 3.602 0 40 IHAB CC(=O)N1CCc2cc(NC(=O)[C@@H]3CCCN3C(=O)C34CC5CC(CC(C5)C3)C4)ccc21 32722101 SMHQOETWXHKJSG-MHLWUJJFSA-N 435.568 3.742 0 40 IHAB COc1ccc([C@H](C)NC(=O)CCc2nnc3ccc(-c4ccc(C)cc4)nn23)cc1OC 33309548 BGPYGGFQXJXHOZ-KRWDZBQOSA-N 445.523 3.927 0 40 IHAB COc1ccc2cc(C(=O)NCCc3cc(OC)c(OC)cc3Br)[nH]c2c1 36394055 UFIFVJFBBTUUOI-UHFFFAOYSA-N 433.302 3.929 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(Cc4ccccc4)s3)C2)cc1 36705274 FQWWEAIQDMUZQG-KRWDZBQOSA-N 429.567 3.706 0 40 IHAB O=C(c1ccc(O)cc1)C1CCN(C(=O)Cc2cc(Cl)c3c(c2)OCCCO3)CC1 40040065 KANOKLBSQTXNGC-UHFFFAOYSA-N 429.900 3.871 0 40 IHAB COC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)CN1C(=O)OC(C)(C)C 40406642 LNUGLRXJRVKRNO-ICSRJNTNSA-N 443.544 3.534 0 40 IHAB CC(C)c1ccc(NC(=O)Cn2nc3c(SCc4ccccc4)nccn3c2=O)cc1 49009235 QZNSVZNXCPGQBJ-UHFFFAOYSA-N 433.537 3.945 0 40 IHAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc4c(c3)C(=O)N3CCCC[C@@H]3CCO4)CC2=O)cc1 49030378 VZGZZJNGJVZKGQ-UYAOXDASSA-N 447.535 3.764 0 40 IHAB COCc1nn2c(c1-c1ccccc1)N=C(O)C[C@@H]2C(=O)Nc1cc(OC)cc(OC)c1 49547306 WSPPXRICGHCEOP-LJQANCHMSA-N 436.468 3.885 0 40 IHAB CC(C)Oc1ccc(CNC(=O)c2cn(-c3ccc(-c4nc(C5CC5)no4)cn3)cn2)cc1 71768304 KNGZOVCGHOPBNY-UHFFFAOYSA-N 444.495 3.912 0 40 IHAB CCNC(=O)C1(Cc2ccccc2-c2cccs2)CCN(C(=O)c2cnccn2)CC1 72345061 BEQHUMGDWDXVOG-UHFFFAOYSA-N 434.565 3.806 0 40 IHAB CN1CCN(c2ncc(-c3ccncc3)c([C@@H]3CCCN(C(=O)C4CCCCC4)C3)n2)CC1 72348020 RSERVYIKUWRUOO-JOCHJYFZSA-N 448.615 3.577 0 40 IHAB COCCNC(=O)c1sc2ccccc2c1C[C@H]1CCCN1C(=O)c1oc(C)nc1C 72370369 FWCVMSKTKCEFSS-MRXNPFEDSA-N 441.553 3.730 0 40 IHAB Cc1nn([C@@]2(C)CCS(=O)(=O)C2)c(C)c1/C=C1\SC(=O)N=C1Nc1ccc(F)cc1 72401913 GKTNRZBMKHIMDE-PSXSOWLISA-N 448.545 3.891 0 40 IHAB CC(C)C[C@H](O)CNC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 84509809 NZMIWRUXNSPTIV-HNNXBMFYSA-N 445.368 3.931 0 40 IHAB COc1cc(C(=O)N[C@H](C)c2onc(-c3ccccc3)c2C(=O)O)cc(OC)c1OC 96296917 JOBDUWBKSKHVBG-GFCCVEGCSA-N 426.425 3.557 0 40 IHAB biogenic,in-vitro C[C@@H](NC(=O)NC1(c2ccccc2)CCOCC1)c1onc(-c2cccnc2)c1C(=O)O 96297081 NOKBGAXTGJKGRW-OAHLLOKOSA-N 436.468 3.501 0 40 IHAB biogenic,in-vitro Cc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(C(C)C)cc4)C(=O)[C@@H]32)c(Cl)c1 100036875 PEVLPDUMASZYMB-VQTJNVASSA-N 439.903 3.704 0 40 IHAB CC(=O)N1CCc2ccccc2[C@H]1c1c(O)[nH]c(=S)n(CCC2=CCCCC2)c1=O 101027511 SGMXIKZJGBKSFE-FQEVSTJZSA-N 425.554 3.996 0 40 IHAB O=C(NCc1ccc2c(c1)OCO2)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl 216443874 NWOKQGXNFCTMBF-UHFFFAOYSA-N 444.896 3.800 0 40 IHAB COc1ccc(Cl)cc1NS(=O)(=O)c1nnc(NC(=O)c2ccccc2C)s1 222563160 KLFQMWQXCQGVES-UHFFFAOYSA-N 438.918 3.562 0 40 IHAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1CCCN1CCOCC1 222823898 RRTAQKZWMMGAQP-DHIUTWEWSA-N 441.645 3.603 0 40 IHAB CCc1ccc(OCC(=O)N(Cc2ccc(OC)cc2)[C@H](CC)C(=O)NC(C)C)cc1 222886692 RSKKTPXJNFRVJN-HSZRJFAPSA-N 426.557 3.968 0 40 IHAB CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccc(C)cc1 223030632 VUYUBMYEFKSFJM-INIZCTEOSA-N 433.346 3.690 0 40 IHAB Cc1ccc(-c2nnc(NC(=O)CN(c3cccc(Cl)c3)S(C)(=O)=O)s2)cc1 223134581 PBLNTTUFNKTGNJ-UHFFFAOYSA-N 436.946 3.572 0 40 IHAB COC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)N2CCCCC2)ccc1Cl 223833276 VHPKLRDBOWSDDC-UHFFFAOYSA-N 436.917 3.554 0 40 IHAB COc1ccc2c(c1)CCC[C@@H]2NC(=O)CCCN(c1ccccc1C)S(C)(=O)=O 223901442 FHZVHZUIQXJHCY-NRFANRHFSA-N 430.570 3.744 0 40 IHAB CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1cc(C)c(Cl)c(C)c1 224038697 SIXVSMJEPUKFOU-QGZVFWFLSA-N 432.948 3.898 0 40 IHAB Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5c(C)cc(Cl)cc54)[C@H]3C2=O)c(C)c1 247883877 SFGQGXXDKSJPDS-TXNPELCJSA-N 449.938 3.696 0 40 IHAB CC(C)(C)OC(=O)N[C@]1(CN)[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 252516710 WAPZTEYKJAHIHL-WAOWUJCRSA-N 436.961 3.502 0 40 IHAB CNc1cc(C)nc([C@@]2(C)CCCN(C(=O)C3(c4cccc(F)c4)CCOCC3)C2)n1 257203901 ASDJTSKRBUYZRP-QHCPKHFHSA-N 426.536 3.594 0 40 IHAB COCC(=O)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(OC)cc1)CN2Cc1cccc2[nH]ccc12 257234572 GUERDGSWXBWCFF-VDKIKQQVSA-N 433.552 3.639 0 40 IHAB CC(=O)Nc1cc(NC(=O)CN2C[C@H]3CCC[C@H](Cc4cc(C)ncn4)[C@H]3C2)ccc1C 257265507 LYXLSORXKMSGCY-TXTKFYIRSA-N 435.572 3.581 0 40 IHAB CCc1nnc(Nc2cc(C)nc([C@@H]3CN(C(=O)c4cccc(OC)c4)CCO3)c2)s1 257273672 NHQPHGGOHWDECQ-IBGZPJMESA-N 439.541 3.770 0 40 IHAB COc1cccc(CC(=O)N2CCO[C@@H](c3cc(Nc4nc(C)cc(C)n4)cc(C)n3)C2)c1 257278537 OCQDNADBOGYBSO-HSZRJFAPSA-N 447.539 3.692 0 40 IHAB Cc1cc(-c2ccccc2)cc([C@@H]2CCCN(C(=O)Cc3ccc(S(N)(=O)=O)cc3)C2)n1 257321061 VZXPBZZFWHHGPR-OAQYLSRUSA-N 449.576 3.653 0 40 IHAB CCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1-c1cccc(NC(C)=O)c1 408638873 UKMOCSOMVOCWEV-UHFFFAOYSA-N 425.514 3.663 0 40 IHAB CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1 408703189 OFXKJFFVRSMCAT-UHFFFAOYSA-N 443.569 3.741 0 40 IHAB O=C(O[C@H]1C(=O)N(c2ccccc2Cl)C(=O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 409277663 BNSJBFOILIRLPK-WOJBJXKFSA-N 449.846 3.664 0 40 IHAB COc1ccc(Cl)cc1NC(=O)[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1Cl 409390074 IXTDZDOIPZNZOT-VIFPVBQESA-N 437.732 3.961 0 40 IHAB O=C(O)CC1(CNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)CCCCC1 538576422 KMKVBWBGDREXBJ-UHFFFAOYSA-N 433.508 3.600 0 40 IHAB O=C1C[C@]2(COCCN(Cc3ccc(-c4csnn4)cc3)C2)CN1c1ccc(F)cc1 585104702 RKQSRURNIKPOGB-HSZRJFAPSA-N 438.528 3.600 0 40 IHAB CCOc1c(Cl)cc(C(=O)N[C@H](c2nc(-c3nc[nH]n3)no2)C(C)C)cc1Cl 585152227 CMKXHJZMSYXCSU-LBPRGKRZSA-N 425.276 3.687 0 40 IHAB Cc1nc(-c2ccc(S(=O)(=O)N(C)C3CCN(Cc4ccccc4)CC3)cc2)co1 605004324 KAILOJWHMNVDAP-UHFFFAOYSA-N 425.554 3.935 0 40 IHAB C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)N2CC[C@@]3(C2)C(=O)Nc2ccccc23)C1 681767022 HACCQJHBCDBUKW-KABRZNFWSA-N 446.551 3.932 0 40 IHAB Cc1nc(-c2cccs2)c(CC(=O)NCc2cccc(NS(=O)(=O)C3CC3)c2)s1 1289645997 PUXSGFLBVGKQAA-UHFFFAOYSA-N 447.607 3.943 0 40 IHAB CC(=O)c1ccc(NC(=O)CSc2nnc3c(C)cc4cc5c(cc4n23)OCCO5)cc1 877416 FJRKVTIYQHRYAW-UHFFFAOYSA-N 448.504 3.896 0 40 IHAB Cc1ccc(S(=O)(=O)N(Cc2cc3cc(C)cc(C)c3[nH]c2=O)C[C@H]2CCCO2)cc1 923269 UPPBKZBDYFEWRZ-OAQYLSRUSA-N 440.565 3.823 0 40 IHAB C[C@H]1CCCCN1C(=O)CSc1nnc2c3cc(Br)ccc3n(C)c2n1 1366226 QKQORYQVMNUKNI-NSHDSACASA-N 434.363 3.772 0 40 IHAB CNC(=O)CN(c1cc(OC)c(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1 1392332 XQTISKRLICNRBH-UHFFFAOYSA-N 437.732 3.597 0 40 IHAB COc1cc([C@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc(Br)c1OC 2119408 PNZVVNMGDOMIBA-NVXWUHKLSA-N 431.286 3.636 0 40 IHAB biogenic O=C1C[C@@H](Sc2nnc(-c3ccccc3O)o2)C(=O)N1c1cccc(C(F)(F)F)c1 2700526 LHGVFDMVGMIFLC-CQSZACIVSA-N 435.383 3.885 0 40 IHAB COc1cc2c(cc1OC)[C@@H](C)N(C(=O)/C=C/c1cc(OC)c(OC)c(OC)c1)CC2 4090543 GWIGPCOQOMVZJF-MVGZEHJDSA-N 427.497 3.889 0 40 IHAB biogenic COc1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CCC(C)C)c1 8840911 BNGNTOOUBPIAPW-UHFFFAOYSA-N 432.542 3.830 0 40 IHAB Cc1cccc(NC(=O)C[C@@H]2C(=O)N[C@H]3CCCC[C@@H]3N2C(=O)c2ccccc2Cl)c1 9059134 ADMBSTHGQDPLIL-PCCBWWKXSA-N 439.943 3.929 0 40 IHAB CC[C@H](C)[C@@H](C(=O)OCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)c1ccccc1 9098064 XSQNKPKEZXPVJJ-HTAPYJJXSA-N 435.524 3.796 0 40 IHAB CCn1c2ccccc2c2cc(NC(=O)COC(=O)CCn3c(C)csc3=O)ccc21 9130962 BKUCBOVRQVGFKK-UHFFFAOYSA-N 437.521 3.918 0 40 IHAB CCOc1ccc(-c2nonc2NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1OCC 9194954 BLUJOQIWQRDPSW-UHFFFAOYSA-N 443.456 3.812 0 40 IHAB CCOc1ccccc1N1C[C@H](C(=O)Nc2ccnn2Cc2ccccc2Cl)CC1=O 9255953 SCUPGZYMIJIXJC-QGZVFWFLSA-N 438.915 3.975 0 40 IHAB COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc(Cl)c1OC(C)C 9259513 GLCPATIMTLAVJC-MHWRWJLKSA-N 438.933 3.795 0 40 IHAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cn2)cc1 9442452 XJTHJXGQWNWMJJ-UHFFFAOYSA-N 438.534 3.861 0 40 IHAB COc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cc(C)on2)cc(OC)c1OC 9450531 HHWHHRHPXKOGDS-HXUWFJFHSA-N 448.431 3.865 0 40 IHAB CCn1cc(C(=O)N[C@@H](CCSC)c2nc3ccccc3[nH]2)c(=O)c2ccc(C)nc21 9716554 IPJLUFMDONPGSV-IBGZPJMESA-N 435.553 3.825 0 40 IHAB COc1cc(NC(=O)CSc2nnc3ccc(-c4ccc(C)cc4)nn23)cc(OC)c1 9829103 KLVIZWFXRYWQMM-UHFFFAOYSA-N 435.509 3.848 0 40 IHAB CCCCN1C[C@H](C(=O)Nc2ccc(C(=O)Nc3ccc(OC)cc3OC)cc2)CC1=O 10461821 QUCDTOGCFKPXCA-QGZVFWFLSA-N 439.512 3.543 0 40 IHAB Cc1ccc2c(COC(=O)C3(NC(=O)NCc4ccccc4)CCCC3)cc(=O)oc2c1 11301569 VNEMLXBUTPVEIM-UHFFFAOYSA-N 434.492 3.957 0 40 IHAB COc1ccc(-c2nnc3ccc(OCCNC(=O)Nc4ccc(Cl)cc4)nn23)cc1 11694592 KNYZPBALSJIHKE-UHFFFAOYSA-N 438.875 3.654 0 40 IHAB Cc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)o2)cc1C 12361028 PWBSXNOCSJWULI-UHFFFAOYSA-N 440.525 3.780 0 40 IHAB COc1cc(C(=O)N[C@H](c2cccc(F)c2)c2nccn2C)cc(OC)c1Br 12507228 JCRBKPHAVUDJDL-GOSISDBHSA-N 448.292 3.858 0 40 IHAB COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2cccc(N(C)C)c2)cc1 12532549 YYRPVGMPQDPXBH-UHFFFAOYSA-N 425.510 3.814 0 40 IHAB O=C(Nc1nc(-c2cccs2)cs1)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12 12545562 MKIQFAZYMIUEHM-UHFFFAOYSA-N 448.576 3.735 0 40 IHAB COc1cccc(NC(=O)c2sccc2S(=O)(=O)N2CCc3ccccc3C2)c1 12809061 DMRAGZUTFPEOFA-UHFFFAOYSA-N 428.535 3.756 0 40 IHAB CCCn1c(=O)n(CC(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)c2ccccc21 12921104 LYPKXWKBPLVWGE-UHFFFAOYSA-N 449.338 3.617 0 40 IHAB COc1ccc2oc(C(=O)OCC(=O)N(C)CC(=O)Nc3ccccc3Cl)c(C)c2c1 13004787 HARBPONHHOXSNQ-UHFFFAOYSA-N 444.871 3.657 0 40 IHAB Cc1cccn2cc(CN3C(=O)N[C@](C)(CCc4ccc(OC(F)F)cc4)C3=O)nc12 13059637 DLCHLTZLHQYKCU-JOCHJYFZSA-N 428.439 3.687 0 40 IHAB CCOC(=O)c1c(NC(=O)Cn2c(C)nc3ccccc3c2=O)sc2c1CC[C@@H](C)C2 13148875 LUZNXVMJJXOECH-CYBMUJFWSA-N 439.537 3.707 0 40 IHAB Cc1cccc(N2CCN([C@@H](c3nnnn3Cc3ccc4c(c3)OCO4)C(C)C)CC2)c1C 13505141 PJMWAIVMSMXKFD-XMMPIXPASA-N 448.571 3.586 0 40 IHAB CCCn1c(C)cc(/C=C/C(=O)N2CCCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1C 14183353 JSTUCFSRYYZITM-FMIVXFBMSA-N 443.613 3.760 0 40 IHAB NC(=O)c1ccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 14185860 SHNWZKZDSDKKGJ-XMMPIXPASA-N 431.517 3.812 0 40 IHAB CC(C)NC(=O)CN1CCN(C(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)CC1 14187162 RCLNOFWEKYWWGJ-UHFFFAOYSA-N 446.016 3.915 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 16638989 PRTIIGJZPPEIPY-UHFFFAOYSA-N 438.933 3.556 0 40 IHAB CCOC(=O)c1[nH]c(C)c(C(=O)O[C@H](C(=O)Nc2cc(C)on2)c2ccccc2)c1C 16766076 CBHOREWBFIMUSF-IBGZPJMESA-N 425.441 3.641 0 40 IHAB CCCOc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1 17097644 MJADZTRIGSXZMN-LBPRGKRZSA-N 431.583 3.887 0 40 IHAB Cc1cc(-c2cnc3cc(C)nn3c2[C@@H]2CCCN(CC(=O)N3CCCCCC3)C2)on1 19124143 RADVYAFKFLGFDD-LJQANCHMSA-N 436.560 3.583 0 40 IHAB Cc1ccc(CC(=O)N2CCC[C@@](Cc3ccccc3-c3cccnc3)(C(N)=O)C2)cc1 19209409 BIONRPWMXRGJSQ-MHZLTWQESA-N 427.548 3.936 0 40 IHAB Cc1cnc(C(=O)N2CCC[C@](Cc3cccc(-c4cccc(F)c4)c3)(C(N)=O)C2)cn1 19238853 HUYGZEOFBDMTRZ-RUZDIDTESA-N 432.499 3.542 0 40 IHAB Cc1nccn1C[C@@H](C)C(=O)N1CCN(C)C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)C1 19287709 XLGBTBYWBUUOFO-CJFMBICVSA-N 444.579 3.654 0 40 IHAB O=C(Cc1ccccc1)N1CCC[C@H]1c1cc2nc3c(c(O)n2n1)CN(C1CCCC1)CC3 19370175 SSGDKJVJZIYGNU-QHCPKHFHSA-N 445.567 3.642 0 40 IHAB CNC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CCN(C(=O)Cc2ccc(OC)cc2)C1 19591481 SHQDOQKKKZQWJH-MHZLTWQESA-N 443.547 3.507 0 40 IHAB Cc1cc(Cc2c(F)cccc2F)cc(C2CCN(C(=O)CN3CCCC3=O)CC2)n1 19691543 NNDAHFKVRJILIB-UHFFFAOYSA-N 427.495 3.587 0 40 IHAB Cc1ccc(C(C)(C)C(=O)N2CCC(c3ccc(C(=O)NC[C@H]4CCCO4)cn3)CC2)cc1 19754804 ZGSBXRLCGXSDLP-HSZRJFAPSA-N 449.595 3.983 0 40 IHAB O=C(Nc1ccc(F)cc1F)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 19860911 RUBUGLOHVGUXRO-AWEZNQCLSA-N 428.888 3.799 0 40 IHAB CCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nnc1-c1cccc(NC(C)=O)c1 19929479 YYZUSUWPUGREOE-UHFFFAOYSA-N 437.525 3.857 0 40 IHAB COc1ccc(CNC(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc1OC 19933640 XPAFLHOBZOMSSD-UHFFFAOYSA-N 440.521 3.743 0 40 IHAB CCN(CC(=O)Nc1cc(F)ccc1C)S(=O)(=O)c1ccc(Br)cc1 20014675 SDWNEIPRRIXFHQ-UHFFFAOYSA-N 429.311 3.546 0 40 IHAB CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1cccc2ccccc12 20802530 ZZFIIBBYSJSBLW-GOTSBHOMSA-N 443.503 3.951 0 40 IHAB COc1cc(C(C)=O)ccc1O[C@@H](C)C(=O)Nc1cccc(I)c1 21573058 VWEPYXYSZUTISW-LBPRGKRZSA-N 439.249 3.908 0 40 IHAB CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)COc2ccccc2F)CC1 21578357 SDYGQDBIZUIRLK-UHFFFAOYSA-N 433.911 3.945 0 40 IHAB O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)NCCCc1ccc(F)cc1 22308250 XCJLFTBLDBQRID-UHFFFAOYSA-N 444.503 3.909 0 40 IHAB Cc1ccc(CNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 22385434 YSGDHEXEGWWRAA-UHFFFAOYSA-N 430.476 3.785 0 40 IHAB CCCCNC(=O)CN1CCN([C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)CC1 22784791 CVPJOIBUMIOHBQ-RUZDIDTESA-N 432.568 3.626 0 40 IHAB COc1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3c(F)cccc3Cl)CC2)c1 24613570 ABKYVFBFLLKNRW-UHFFFAOYSA-N 440.924 3.668 0 40 IHAB O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)Oc2ccc(Cl)c3cccnc23)cc1 25871418 LTLBZGYTBAUBNI-UHFFFAOYSA-N 444.818 3.948 0 40 IHAB CC(=O)N1CCc2cc(C(=O)Nc3ccccc3C(=O)NCCc3ccccc3)ccc21 25988740 LLMOSCKVWZCMDZ-UHFFFAOYSA-N 427.504 3.820 0 40 IHAB O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1ccccc1C(=O)N1CCCCC1 27919017 LLSXUPNMQGTTKG-UHFFFAOYSA-N 441.837 3.785 0 40 IHAB CC(C)Cn1c(SCC(=O)N[C@H](C)c2ccc(F)cc2F)nc2ncccc2c1=O 32893461 LARQKWCHKVTDAV-CYBMUJFWSA-N 432.496 3.695 0 40 IHAB CCOC(=O)COc1ccc([C@H](C)NC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1OC 32916083 LTWIGKRKZFBZQD-RCLKMUNOSA-N 443.496 3.545 0 40 IHAB COc1ccc(C(=O)NC2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)cc1 35291851 IIHPVTYQTLMZOI-UHFFFAOYSA-N 435.446 3.547 0 40 IHAB CCC[C@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 35292040 NABWEXVFVVDHOX-RBUKOAKNSA-N 438.498 3.534 0 40 IHAB COC(=O)[C@@H](CC(C)C)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1Cl 36575361 XWUDCZXMYUUTCY-AEFFLSMTSA-N 439.343 3.961 0 40 IHAB CCS(=O)(=O)c1ccccc1C(=O)Nc1nnc(-c2ccc(C(F)(F)F)cc2)o1 38933694 GLJTUAGJZGOMDN-UHFFFAOYSA-N 425.388 3.801 0 40 IHAB O=C(CN1CCN(Cc2cn3ccccc3n2)CC1)Nc1ccccc1Oc1ccccc1 40025098 JQAKHVNDEXGTHV-UHFFFAOYSA-N 441.535 3.883 0 40 IHAB CCN(Cc1ccc(Br)s1)C(=O)C[C@@H](NC(N)=O)c1ccccc1F 40071997 INLUXBJSCDASPM-CQSZACIVSA-N 428.327 3.798 0 40 IHAB COc1ccc(CCn2ccc3nc4ncnn4c(-c4ccc(F)cc4)c3c2=O)cc1OC 40398314 DMEJFJASOZUWAU-UHFFFAOYSA-N 445.454 3.505 0 40 IHAB COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)Oc4ccccc43)cc2)cc1 41158120 YHZCCSUNFQEQMI-MRXNPFEDSA-N 438.505 3.924 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(C(N)=O)cc3)c(Cl)c2)cc1 44901693 WNRVRHBWYPTYRL-UHFFFAOYSA-N 443.912 3.800 0 40 IHAB COc1ccc(NC(=O)CN2CCc3nc4c(F)ccc(F)c4c(O)c3C2)cc1Cl 49003242 OJYMSVYYOMQVTQ-UHFFFAOYSA-N 433.842 3.877 0 40 IHAB CC(=O)Nc1c(-c2ccccn2)nsc1C(=O)N1CCN(c2ccccc2Cl)CC1 49007697 PRKHIBSOMUZJMI-UHFFFAOYSA-N 441.944 3.779 0 40 IHAB COC(=O)c1ccc(C)c(NC(=O)CN[C@@H](C)c2ccc(OC)c(Br)c2)c1 57335791 IKPIKBCGMCIPBH-ZDUSSCGKSA-N 435.318 3.842 0 40 IHAB Cc1ccc(Cn2c(SCC(=O)NC[C@H]3CCCO3)nc3ccsc3c2=O)cc1C 57426333 TXLZLJWQUMSVBK-QGZVFWFLSA-N 443.594 3.510 0 40 IHAB COc1ccc(NC(=O)c2cccc3c4c([nH]c23)CCCC4)cc1S(=O)(=O)N(C)C 57993317 XKABHGJPRNSPEM-UHFFFAOYSA-N 427.526 3.558 0 40 IHAB CC(=O)N1c2ccc(S(=O)(=O)N(CCc3ccccc3)Cc3ccncc3)cc2C[C@@H]1C 58218365 BGAFWIIEVBXAND-IBGZPJMESA-N 449.576 3.813 0 40 IHAB COc1ccc(CCOC(=O)[C@@H](CCSC)NC(=O)c2ccc3ccccc3n2)cc1 62580821 KSBCVIGLVYOISS-JOCHJYFZSA-N 438.549 3.881 0 40 IHAB O=C(Cn1c(=O)cc(C(=O)N2CCCCC2)c2ccccc21)Nc1cc(F)cc(F)c1 67318787 KJZHHBOOWNLCAJ-UHFFFAOYSA-N 425.435 3.545 0 40 IHAB Cc1cccc(N2CCN(C(=O)c3cc(=O)[nH]c4ccc(Br)cc34)CC2)c1 71328492 ULVFZAZJEXGHEN-UHFFFAOYSA-N 426.314 3.561 0 40 IHAB CCN(CC)[C@@H]1CCN([C@@H](C)C(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)C1 72305245 OKHZJUBWCHQKPM-GHTZIAJQSA-N 438.572 3.691 0 40 IHAB Cc1cc(Nc2ncccc2C)cc([C@H]2CCCN2S(=O)(=O)c2c(C)noc2C)n1 72372687 YVKQBGDWPJTMLO-LJQANCHMSA-N 427.530 3.968 0 40 IHAB O=C(c1cnccn1)N1Cc2ccccc2O[C@]2(CCCN(Cc3ccccc3)CC2)C1 72394526 CTUPQEFARMCJRL-SANMLTNESA-N 428.536 3.936 0 40 IHAB O=C(c1cccnc1)N1CCN(c2ncc(-c3ccncc3)c(-c3cccs3)n2)CC1 72396558 WEBRAFOBOBPDBF-UHFFFAOYSA-N 428.521 3.625 0 40 IHAB CCOC(=O)CN(Cc1cc(=O)n2ccccc2n1)[C@@H](C)c1cccc(Br)c1 89983742 GPVFIWPMPRJNLL-HNNXBMFYSA-N 444.329 3.583 0 40 IHAB C[C@H]1CN(C(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)CCN1S(C)(=O)=O 95463732 JSHIOTVFIQJSKV-AWEZNQCLSA-N 442.459 3.604 0 40 IHAB COc1ccc(-c2nc(C)c(C(=O)NCCCc3nnc4ccccn34)s2)cc1OC 95472898 BFHWUBSFOXCXBV-UHFFFAOYSA-N 437.525 3.541 0 40 IHAB CN1CCC(N2CCC(NC(=O)Nc3cccc(NC(=O)c4ccccc4)c3)CC2)CC1 95957700 IBHSNQOSPCXQBK-UHFFFAOYSA-N 435.572 3.619 0 40 IHAB O=C(NCCN1CCOCC1)c1cc(-c2csc(-c3cccs3)n2)n2ccccc12 96154888 NWTLSEFBIHNPFQ-UHFFFAOYSA-N 438.578 3.853 0 40 IHAB Cc1cc2c(c(=O)o1)[C@H](c1ccc3c(c1)OCO3)[C@H](C(=O)Nc1ccc(Cl)cc1)O2 96336013 METNQRVYFVYZHC-AZUAARDMSA-N 425.824 3.862 0 40 IHAB Cc1nn2c(=O)cc(CSc3nnnn3-c3ccccc3)[nH]c2c1-c1ccc(Cl)cc1 101078461 DDZRZQACSZXKFS-UHFFFAOYSA-N 449.927 3.919 0 40 IHAB Cc1cccc(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1 101597109 GADQCFHJTLPHNF-GCWMNCCDSA-N 426.516 3.598 0 40 IHAB Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c(C)c1 102086409 FVJQOGODHOAVTE-IWGWFBSKSA-N 440.543 3.906 0 40 IHAB NC(=O)COc1ccc(/C=C2\SC(=O)N(Cc3ccccc3Br)C2=O)cc1 106730904 ADQQDVUCXSYJJJ-SXGWCWSVSA-N 447.310 3.550 0 40 IHAB CCc1ccc(N([C@@H](C)C(=O)NCCSCc2ccc(C)cc2)S(C)(=O)=O)cc1 220267240 LXQMYEMEDSHAOD-SFHVURJKSA-N 434.627 3.762 0 40 IHAB C[C@@H](C(=O)NCCCc1ccc(Cl)cc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220456983 QBCUKJPNBCHXHV-ZDUSSCGKSA-N 430.904 3.522 0 40 IHAB CC[C@@H](C(=O)NCCCc1ccc(Cl)cc1)N(c1ccccc1F)S(C)(=O)=O 220600952 JZTGZFJEZDWJFT-SFHVURJKSA-N 426.941 3.773 0 40 IHAB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2nccs2)c1C 223042299 YBEXVLIWRZDPAL-RBUKOAKNSA-N 427.599 3.955 0 40 IHAB O=C(c1ccc(Cl)cc1Cl)N1CCc2cc(S(=O)(=O)N3CCCC3)ccc21 223090790 TYKQQKISZCTLFB-UHFFFAOYSA-N 425.337 3.981 0 40 IHAB Cc1cc(C)cc(OCCNC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)c1 224096620 WIQKTMQPNLDZDO-UHFFFAOYSA-N 438.977 3.698 0 40 IHAB CN(c1ccc(Cl)c(C(=O)NC[C@@H]2CCCO2)c1)S(=O)(=O)c1ccc(Cl)cc1 224346395 PVSXJISEYNDJGT-HNNXBMFYSA-N 443.352 3.727 0 40 IHAB CCn1c(=O)sc2cc(S(=O)(=O)NCc3ccc(CN4CCCCC4)cc3)ccc21 224540310 UACCZVARLIPDDO-UHFFFAOYSA-N 445.610 3.547 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=S)NCc1ccccc1Cl 225209615 ZIOZJVWRJDDCOV-UHFFFAOYSA-N 439.990 3.620 0 40 IHAB CC[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1ccc(OC)c(C)c1 225543363 CZMXGTWTBHXZBO-NQIIRXRSSA-N 448.560 3.811 0 40 IHAB CCC[C@]1(C(=O)OCC)N[C@H](c2ccccc2F)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 231644052 ILKNXVBYDHWGND-FIXDAVPBSA-N 442.462 3.517 0 40 IHAB O=C(c1ccccc1Cn1cccn1)N1CC[C@]2(C1)CN(c1ccc(Cl)cc1)C(=O)O2 257238206 HJZIVHRACWBNLB-QHCPKHFHSA-N 436.899 3.826 0 40 IHAB COc1cc2c(cc1CN1CCO[C@H](c3cccc(Nc4cc(C)n(C)n4)n3)C1)CCC2 257251813 JSIRLUPMWHHOAR-QHCPKHFHSA-N 433.556 3.938 0 40 IHAB Cn1nccc1[C@@H]1CN(C(=O)c2ccsc2)C[C@]12CCCN(Cc1ccccc1)C2=O 306138135 RQAJTPJCPBFPTF-GBXCKJPGSA-N 434.565 3.530 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccccc2Br)cc1C(=O)NCC(C)C 408585219 XUTGQRAMTNILLB-UHFFFAOYSA-N 425.348 3.944 0 40 IHAB Cc1cc(Br)ccc1NC(=O)CCC(=O)OCC(=O)N[C@@H](C)c1ccccc1 408643451 BBCRUNSNKCFUQO-HNNXBMFYSA-N 447.329 3.897 0 40 IHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 408695339 RWACOAXLHMHQHQ-SFHVURJKSA-N 445.585 3.708 0 40 IHAB Cc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccccc3C)[C@H]2c2ccc(Cl)cc2)cc1 409066977 IMQXXNUNXUZECV-WSBKAMHLSA-O 432.931 3.973 0 40 IHAB O=C(O[C@@H]1C(=O)N(c2cccc(Cl)c2)C(=O)[C@H]1OC(=O)c1ccccc1)c1ccccc1 409297545 KVJOXEHBPCNJCT-PMACEKPBSA-N 449.846 3.664 0 40 IHAB CCNC(=O)c1cc(NC(=O)c2ccc(OC)c(-c3ccnn3C)c2)nc2ccccc12 508108863 GRGVVZIUBZGLGG-UHFFFAOYSA-N 429.480 3.646 0 40 IHAB COC(=O)c1cc(C)nc2nc(SCc3ncc(-c4ccc(F)cc4)o3)nc(O)c12 521933771 ZJICIIZRFJPBAH-UHFFFAOYSA-N 426.429 3.912 0 40 IHAB O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)N[C@H]1CCO[C@]2(CCOC2)C1 538902883 KZFFKADPANSIJP-NSXLHWASSA-N 442.943 3.656 0 40 IHAB CCN1CCN(C(=O)Cc2cccc(OC)c2)[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O 585169018 NTCHDIPTYLRXFB-VWLOTQADSA-N 443.547 3.602 0 40 IHAB O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)Nc1ccc2c(c1)OCO2 656334 JURQRNMTWRBEBP-UHFFFAOYSA-N 444.896 3.903 0 40 IHAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3C)cc2)no1 904162 VKDVMRYFIBOTAE-UHFFFAOYSA-N 435.889 3.763 0 40 IHAB Cc1ccc(C(=O)[C@@H](C)OC(=O)[C@@H]2CC(=O)N(c3ccc(C(=O)OC(C)C)cc3)C2)cc1 993292 HJVJNMRZYCZMLA-YLJYHZDGSA-N 437.492 3.728 0 40 IHAB O=C1c2ccccc2C(=O)N1CCn1nc(-c2ccc3c(c2)CCC3)c2ccccc2c1=O 1399524 FUPVZFDFJNKJQD-UHFFFAOYSA-N 435.483 3.848 0 40 IHAB Cc1ccc(-c2nn3c(-c4ccncc4)nnc3c3ccccc23)cc1S(=O)(=O)N(C)C 1432773 NZHIBAHGRFDHRF-UHFFFAOYSA-N 444.520 3.565 0 40 IHAB CCOC(=O)c1c(/N=c2\oc3c(OC)cccc3cc2C(N)=O)sc2c1CCCC2 1513010 YLZKAKIJUVNBPU-GFMRDNFCSA-N 426.494 3.890 0 40 IHAB CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1NNc1cc(-c2ccccc2)nc(C)n1 2396724 XJAVAOBOTQPWTJ-UHFFFAOYSA-N 444.499 3.660 0 40 IHAB COC(=O)[C@@](NC(=O)c1ccccc1)(C(F)(F)F)P(=O)(OC(C)C)OC(C)C 2569228 FMTJWIZKQPAEBC-INIZCTEOSA-N 425.340 3.891 0 40 IHAB Cn1cccc1C(=O)NC(=O)COC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 2635525 GYLUPBDDQIGANK-UHFFFAOYSA-N 430.382 3.824 0 40 IHAB Cc1ccc(S(=O)(=O)N(C(=O)c2cccnc2)c2ccc3oc(=O)sc3c2)cc1 3653971 CBJHKTRXVOUAKV-UHFFFAOYSA-N 426.475 3.594 0 40 IHAB O=C1N[C@@H]2CCN(C(=O)c3ccc(-c4ccccc4)cc3)[C@@H]2C(=O)N1Cc1ccccc1 5415238 WZRBJXSCTCTKBE-PKTZIBPZSA-N 425.488 3.689 0 40 IHAB biogenic,in-vitro COC(=O)c1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2cccnc2)cc1 8606648 JULGHYQWDPICJG-QHCPKHFHSA-N 440.459 3.709 0 40 IHAB Cc1nnc(S[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)n1Cc1ccccc1 9056200 URMAUNAZZKNLBP-KRWDZBQOSA-N 437.569 3.591 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CNc2ccc(F)c(Cl)c2)c1 9255615 XGRZCAIYCACFJH-UHFFFAOYSA-N 427.929 3.869 0 40 IHAB CCOC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c(NC(=O)C3CCCC3)scc12 9381647 MVPQEHLNYINUNR-UHFFFAOYSA-N 441.509 3.761 0 40 IHAB COc1cccc(CC(=O)NCCN2C(=O)S/C(=C\c3ccc(SC)cc3)C2=O)c1 9704112 RXWZWZLLSXJDRC-UYRXBGFRSA-N 442.562 3.812 0 40 IHAB O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCO2)Nc1ccccc1C(=O)NC1CCCC1 9712215 VXRRAONDGVHKIL-JOCHJYFZSA-N 449.551 3.906 0 40 IHAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)OCc1ccccc1Oc1ccccc1 9963984 WFFOZLHIFMJMDS-UHFFFAOYSA-N 436.489 3.651 0 40 IHAB O=C(NCc1ccccc1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 10128459 KDHWOLSIPHPVFD-OAQYLSRUSA-N 428.941 3.546 0 40 IHAB COc1cc2ncn(CCCC(=O)N(C)Cc3cccc(Cl)c3)c(=O)c2cc1OC 10748705 DCNIRFLTOVGLAR-UHFFFAOYSA-N 429.904 3.506 0 40 IHAB CCn1cc(S(=O)(=O)N2[C@H](COc3cccc(C(F)(F)F)c3)[C@H]3CC[C@@H]2C3)cn1 12085322 SHEPTWAQGDNRTO-JCKWVBRZSA-N 429.464 3.542 0 40 IHAB CCOC(=O)c1c(NC(=O)c2nn(-c3ccc(C)cc3)ccc2=O)sc2c1CCCC2 12111341 AJZNQBRCIAQXHT-UHFFFAOYSA-N 437.521 3.910 0 40 IHAB CC[C@H](C)NC(=O)CSc1[nH]c(-c2ccccc2)nc1S(=O)(=O)c1ccccc1 12112467 XXWAEBRNCLDWHG-HNNXBMFYSA-N 429.567 3.916 0 40 IHAB C[C@H]1Cc2ccccc2N1C(=O)C[C@@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21 12233093 RNRCFYSHVJZXGZ-MAUKXSAKSA-N 443.532 3.597 0 40 IHAB COCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1ccccc1OC 12406612 TTYZRHLEKVSSDP-UHFFFAOYSA-N 442.537 3.845 0 40 IHAB COCCn1c(SCc2ccccc2F)nc2cc(C(=O)NC(C)C)ccc2c1=O 12415114 OMPYFZUICZVMDS-UHFFFAOYSA-N 429.517 3.613 0 40 IHAB COc1ccc(CCn2c(C)cc(C(=O)COc3cccc(-n4cnnn4)c3)c2C)cc1 12568113 ALSCCEVJDGXXJT-UHFFFAOYSA-N 431.496 3.594 0 40 IHAB Cn1ccnc1C(=O)c1ccc(NC(=O)c2ccc(I)cc2)cc1 12627394 MMBYWSURJPKVTG-UHFFFAOYSA-N 431.233 3.508 0 40 IHAB COc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c1 12633508 ZRANFPOTDCVNAF-UHFFFAOYSA-N 436.839 3.627 0 40 IHAB C[C@@]1(c2cc(F)ccc2F)NC(=O)N(C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1=O 12756151 QSULWKVZZNHWJU-LMKMVOKYSA-N 449.457 3.901 0 40 IHAB CC[C@@H](C)c1ccc([C@H](NC(=O)C2CCN(c3ccc4nnnn4n3)CC2)C(C)C)cc1 12849977 SNUDUYDCVXPRNM-UZUQRXQVSA-N 435.576 3.763 0 40 IHAB Cc1ccc(S(=O)(=O)c2nc(S(C)(=O)=O)sc2NCCC2=CCCCC2)cc1 12998145 WQMANAOZOROSOY-UHFFFAOYSA-N 440.612 3.990 0 40 IHAB Cc1cc(-c2cc(=O)n([C@H](C)C(=O)NCCc3ccccc3F)nc2-c2ccco2)on1 13226167 UASXMJBMLMQZIY-OAHLLOKOSA-N 436.443 3.526 0 40 IHAB COc1ccc(-n2c(CNC(=O)COc3ccc(Cl)cc3Cl)n[nH]c2=S)cc1 13524416 ONMBAANJHIDTNP-UHFFFAOYSA-N 439.324 3.940 0 40 IHAB CCn1c(CC(=O)Nc2ccc(C)cc2)nnc1SCC(=O)N[C@@H]1CCCC[C@@H]1C 13955763 OCTLHFYRVAEWDG-FUHWJXTLSA-N 429.590 3.575 0 40 IHAB CCCn1nc(C(=O)OCc2cc(Cl)c3c(c2)OCCCO3)c2ccccc2c1=O 17672821 HKQHXWBKUVARKH-UHFFFAOYSA-N 428.872 3.978 0 40 IHAB O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 18702435 JHNZBXNFNWMJGY-UHFFFAOYSA-N 448.957 3.895 0 40 IHAB COc1cccc(CNC(=O)c2cc(C3CCN(C(=O)c4ccccc4F)CC3)no2)c1 19565652 NBHITBCVCUMKJZ-UHFFFAOYSA-N 437.471 3.772 0 40 IHAB CN(C)C(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)c2cnccn2)C1 19579451 YAXXBASNHFMJPF-DEOSSOPVSA-N 434.565 3.758 0 40 IHAB Cc1cc(S(=O)(=O)N2CCC[C@@H]2c2ccc(-c3cccc(C(N)=O)c3)cn2)ccc1F 19688990 HARLLHRXFSCRHL-JOCHJYFZSA-N 439.512 3.821 0 40 IHAB Cc1c(C(=O)N2CCC[C@H](c3nc(N(C)C)ncc3-c3ccc(Cl)cc3)C2)cnn1C 19693970 AYBSKHGWJNQXNT-KRWDZBQOSA-N 438.963 3.925 0 40 IHAB Cc1n[nH]cc1C(=O)N1CCC[C@H](c2nc(C)c3c(n2)N(Cc2ccccc2)CCC3)C1 19753062 MLKAIWPOACSYSE-FQEVSTJZSA-N 430.556 3.789 0 40 IHAB CN(C)c1nc2ccccc2cc1CN1CC[C@@H](c2cc(C(N)=O)c3ccccc3n2)C1 19762094 VXVPZCRURMTRND-GOSISDBHSA-N 425.536 3.937 0 40 IHAB Cc1ccc([C@@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(c3cccc(C)c3C)CC2)cc1 20140662 DADKYQVHBKPSMQ-ZCYQVOJMSA-N 446.599 3.689 0 40 IHAB CCCc1nc2sc3c(N4CCN(CCO)CC4)nc(SC)nc3c2c2c1CCC2 20390600 QPPHKIMSYBNMHZ-UHFFFAOYSA-N 443.642 3.517 0 40 IHAB COCCN1C(=O)c2ccccc2[C@H](C(=O)N=c2[nH]c3ccccc3[nH]2)C12CCCCC2 20744388 IXPIOIRCOCXKDT-OAQYLSRUSA-N 432.524 3.512 0 40 IHAB Cc1cccc(NC(=O)CSc2nnc3nc(O)c(-c4ccc(Cl)cc4)nn23)c1 22720340 BTCCTDOHMBPSGY-UHFFFAOYSA-N 426.889 3.585 0 40 IHAB CCCCn1nc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c2ccccc2c1=O 27402757 NZUMXIUOJJELTH-HXUWFJFHSA-N 433.508 3.945 0 40 IHAB O=C(CCC(=O)N1CCN(c2ccccc2F)CC1)Nc1nc2ccc(F)cc2s1 27913418 UDBQYSWBSTZGGD-UHFFFAOYSA-N 430.480 3.642 0 40 IHAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(F)cc3)c(=O)n2[C@@H]1/C=C/c1ccccc1 28629357 CRQFEECLVFPIJZ-RJKLFALQSA-N 448.519 3.603 0 40 IHAB CCCC1(CCC)NC(=O)N(CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)C1=O 31631597 VJBIHOFYORFDQS-UHFFFAOYSA-N 439.560 3.999 0 40 IHAB CC(=O)c1ccc(OC(=O)c2nc(S(=O)(=O)Cc3ccccc3)ncc2Cl)cc1C 32623722 DWQMOEPNBNKOQM-UHFFFAOYSA-N 444.896 3.834 0 40 IHAB O=C(c1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]2[C@H]2CCCN12 35895222 TYBYAPIGYJYMEO-MYZZLAAOSA-N 447.293 3.968 0 40 IHAB COC(=O)[C@@H](CC(C)C)NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(Cl)c1Cl 36569696 AAVUWMPENOWAJX-CRAIPNDOSA-N 439.343 3.961 0 40 IHAB COc1ccc(-c2cc(C(=O)NC[C@H](C)Cn3ccc(C)n3)c3c(C)nn(C)c3n2)cc1 36613401 XIPXRBAVRJOALY-HNNXBMFYSA-N 432.528 3.523 0 40 IHAB COc1ccc([C@@H]2CCCN2C(=O)c2nn(-c3ccccc3F)c(C)cc2=O)cc1OC 40039795 JPQNBJJNBDUDLB-SFHVURJKSA-N 437.471 3.675 0 40 IHAB COc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2C)cc1 44899807 ACDMSNDJAHZWET-GOSISDBHSA-N 430.570 3.915 0 40 IHAB COc1ccc(C)cc1NC(=O)Cn1cccc(-c2nc(-c3ccccc3C)no2)c1=O 49002591 OZRPJSSTOLVGLQ-UHFFFAOYSA-N 430.464 3.829 0 40 IHAB CCc1ccc(NC(=O)Cn2cc(-c3nc(-c4ccc(OC)cc4)no3)ccc2=O)cc1 49005938 NRJQUMSUWYBHDY-UHFFFAOYSA-N 430.464 3.775 0 40 IHAB CCn1c(CN(C)[C@@H]2CCCc3ccccc32)nc2cc(S(=O)(=O)N(C)C)ccc21 58159653 VOUOZCHHEVVTLG-OAQYLSRUSA-N 426.586 3.816 0 40 IHAB COc1ccc(CNC(=O)CC/C(C)=C/Cc2c(O)c3c(c(C)c2OC)COC3=O)cc1 62001439 MRHDICINBVNCTI-PJQLUOCWSA-N 439.508 3.974 0 40 IHAB biogenic Cc1ccc(Sc2nccn3c(=O)n(CC(=O)Nc4cc(F)ccc4F)nc23)c(C)c1 67255646 NCSXWGJWUAUXEL-UHFFFAOYSA-N 441.463 3.576 0 40 IHAB NC(=O)[C@H]1CC(C(=O)Nc2cccc(-c3ccc4ccccc4c3)n2)=NN1c1ccccc1 72273721 URFCCOFOEOORHZ-HSZRJFAPSA-N 435.487 3.961 0 40 IHAB CC(C)Oc1cc(CCC(=O)N2CCNC(=O)[C@H]2Cc2ccc(-c3ccccc3)cc2)on1 72351388 OMXGWGXOYBESLD-HSZRJFAPSA-N 447.535 3.631 0 40 IHAB COc1cc(-c2cnc(NC3CCN(C(C)C)CC3)nc2-c2cccs2)nc(OC)n1 72396897 KFBTYNPEOVVOIW-UHFFFAOYSA-N 440.573 3.964 0 40 IHAB O=C(CNC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)Nc1c(F)cccc1F 72401840 AMPPKJGZWRXCSK-UHFFFAOYSA-N 443.281 3.742 0 40 IHAB CCn1cc(NC(=O)C(=O)N[C@@H](CC(C)C)c2ccccc2OCC(C)C)ccc1=O 95405969 TXZOFLGFEJGOCT-FQEVSTJZSA-N 427.545 3.745 0 40 IHAB Cc1nn(CC(C)C)c(C)c1CCC(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 95454066 JWXXUTQMDKGDTJ-OFNKIYASSA-N 430.980 3.830 0 40 IHAB COc1cccc(OC)c1CN[C@H](c1cc(O)n2nc(C3CCOCC3)cc2n1)C(C)C 100730059 KVVNFUYAAZRURW-DEOSSOPVSA-N 440.544 3.833 0 40 IHAB CCOC(=O)c1c(C2CC2)csc1NC(=O)COC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 102025328 FZAYCLZNTWQDQO-WXNNJLFXSA-N 447.553 3.615 0 40 IHAB C[C@H]1CC[C@@H]2N(C1)C[C@@H]1[C@H](CC[C@H]3[C@@H]4C[C@H](O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4C[C@H]31)[C@]2(C)O 136299497 IUKLSMSEHKDIIP-LHYACHCDSA-N 431.661 3.678 0 40 IHAB COc1cccc(N(C)C(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)cc(C)cc3C)C2)c1 222566098 HYJGSLXGJOJWJI-LJQANCHMSA-N 430.570 3.684 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCc1ccc2ccccc2c1 222779545 CDXTVAHOKPPFGI-UHFFFAOYSA-N 438.549 3.953 0 40 IHAB O=C(Nc1nnc(S(=O)(=O)Nc2ccccc2C(F)(F)F)s1)c1ccccc1 223908034 SNJWDPKWFWVNHE-UHFFFAOYSA-N 428.417 3.610 0 40 IHAB CCOc1ccc(C(=O)NCCC(C)C)cc1CN(C)S(=O)(=O)c1ccc(C)cc1 224827729 HUCZFTVWYSHKIY-UHFFFAOYSA-N 432.586 3.990 0 40 IHAB COc1ccc(OCCCC(=O)N(Cc2cccc(OC)c2)[C@H](C)C(=O)NC(C)C)cc1 225660367 FIFQILMRQYZFFQ-LJQANCHMSA-N 442.556 3.805 0 40 IHAB CC[C@@H](C(=O)Nc1nnc(-c2ccccc2)s1)N(c1ccc(F)cc1)S(C)(=O)=O 225684455 GVXMMJGFNIXEID-INIZCTEOSA-N 434.518 3.528 0 40 IHAB COc1ccc(OC)c(-c2cc(C(=O)NC[C@@H](OC)c3ccc(Cl)s3)n(C)n2)c1 225703985 NPRUULXQXTWWNU-QGZVFWFLSA-N 435.933 3.937 0 40 IHAB CCCSc1nnc(NC(=O)[C@H](CC)N(c2ccc(C)cc2)S(C)(=O)=O)s1 225863527 GBERZASHYDBUCR-AWEZNQCLSA-N 428.605 3.532 0 40 IHAB C[C@H](CCc1ccccc1)NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 408622319 BWPTZGDPPRAKJJ-CQSZACIVSA-N 429.369 3.897 0 40 IHAB COc1cc(OC)cc(-c2nnc(S/C(=C\c3ccc4c(c3)OCO4)C(=O)O)o2)c1 408633062 LGQUWBNZTISXJP-FMQZQXMHSA-N 428.422 3.700 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(OC(C)C)cc2)cc1C(=O)N1CCCCC1 408693017 BHCCGICTNGHSRE-UHFFFAOYSA-N 432.542 3.909 0 40 IHAB Cc1cc(N2C(=O)[C@H]3C4c5ccccc5C(Br)(c5ccccc54)[C@@H]3C2=O)no1 409206828 QJVWBPBESYRRIA-DBAFAGGRSA-N 435.277 3.886 0 40 IHAB O=C(NCc1c(F)cccc1N1CCCC1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 672053524 ROMIVSRMABLJHD-UHFFFAOYSA-N 436.936 3.702 0 40 IHAB CC1=C(C(=O)OCCC(C)C)[C@@H](c2ccccc2I)NC(=O)N1C 728608 VRYHSLZLJIINGD-MRXNPFEDSA-N 442.297 3.851 0 40 IHAB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3ncnn32)cc1Br 955867 SRVSQNPNNGGGCN-GOSISDBHSA-N 440.301 3.977 0 40 IHAB Cc1cccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)cc2)c1 1263824 FNPPGKGNCFPQEG-UHFFFAOYSA-N 448.548 3.677 0 40 IHAB CC(=O)c1cccc(NC(=O)CSc2nnc(Cc3cccc4ccccc34)n2N)c1 3295016 BRWABMYUSXFCNT-UHFFFAOYSA-N 431.521 3.669 0 40 IHAB O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NC(=O)Cc1ccccc1 3299770 PBEUUOJCSHTJOM-UHFFFAOYSA-N 428.517 3.912 0 40 IHAB CCOc1ccc2nc(NC(=O)[C@@H](NS(=O)(=O)c3cccs3)C(C)C)sc2c1 4034902 BAICABIORUBNLY-INIZCTEOSA-N 439.584 3.698 0 40 IHAB CC(C)COc1cccc(C(=O)NC(=S)Nc2ccc(N3CCN(C)CC3)cc2)c1 4122561 JGFZWQCJOVMEQG-UHFFFAOYSA-N 426.586 3.600 0 40 IHAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1c1nc2n(n1)[C@H](c1ccccc1)C[C@@H](c1ccccc1)N2 4295386 LJUIHPXVUYBPKS-WOZUAGRISA-N 425.492 3.880 0 40 IHAB COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)ccc1O 6576904 KGEQGIAXPBGPBH-VSKRKVRLSA-N 434.423 3.591 0 40 IHAB COc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2ccncc2)cc1OC 8845134 LPKCPXAILQJYBX-DEOSSOPVSA-N 442.475 3.940 0 40 IHAB COc1ccc(CNC(=O)[C@@H](NS(=O)(=O)c2c(Cl)cccc2Cl)C(C)C)cc1 8988190 UBAVIMYNZVRULR-KRWDZBQOSA-N 445.368 3.621 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)NC[C@H](c2ccccc2)S(=O)(=O)c2cccs2)c1 9106827 PKVYADIBWMOIFX-LJQANCHMSA-N 435.592 3.858 0 40 IHAB COCCN1C(=S)N[C@@H](c2cccc(F)c2)C(C(=O)Nc2ccccc2OC)=C1C 9316163 QEBIFCHAVUTBLU-FQEVSTJZSA-N 429.517 3.625 0 40 IHAB COc1ccc(-c2noc(CSc3nnc(CCc4ccccc4)n3C)n2)cc1OC 9432013 KTWWUULIZNKXAU-UHFFFAOYSA-N 437.525 3.960 0 40 IHAB Cc1ccc2cc(CN(Cc3cccnc3)S(=O)(=O)c3ccc(F)cc3)c(=O)[nH]c2c1 9488752 NGSAHPTVDWEONI-UHFFFAOYSA-N 437.496 3.762 0 40 IHAB C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2)C1=O)c1ccc2c(c1)CCCC2 9496040 RDVVSNQYKNHVGA-MYYSRTQBSA-N 439.943 3.863 0 40 IHAB CCCN1C(SCC(=O)NCc2ccc(Cl)cc2)=NS(=O)(=O)c2ccccc21 9530299 WIDFNMRYDOQARZ-UHFFFAOYSA-N 437.974 3.664 0 40 IHAB C[C@H](Sc1nnnn1-c1ccc(OC(F)(F)F)cc1)C(=O)NCC1CCCCC1 9669362 ARCNWADAMPKQHQ-LBPRGKRZSA-N 429.468 3.738 0 40 IHAB O=C(/C=C/c1ccc2ccccc2n1)OCc1cc(=O)n2cc(Br)ccc2n1 9670845 FRFSTDMGZXDTCP-CSKARUKUSA-N 436.265 3.762 0 40 IHAB C[C@H](C(=O)Nc1ccc(Br)cc1F)N(c1ccc(F)cc1)S(C)(=O)=O 9699563 CWBAEPVGFCJJPD-SNVBAGLBSA-N 433.274 3.521 0 40 IHAB O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCO2)Nc1ccccc1C(=O)NC1CCCC1 9712216 VXRRAONDGVHKIL-QFIPXVFZSA-N 449.551 3.906 0 40 IHAB Cc1cccc(-n2nnnc2SCC(=O)N2CCS[C@@H]2c2ccccc2F)c1C 9783395 MSBMYTWYVVCZQE-LJQANCHMSA-N 429.546 3.785 0 40 IHAB CCc1cccc(CC)c1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1 9974123 PALHPFXPNODWGT-IBGZPJMESA-N 430.570 3.859 0 40 IHAB Oc1nnc(-c2ccc(Cl)cc2Cl)c2c1Nc1nnnn1[C@@H]2c1ccc(F)cc1 10298177 VFMLWKZSZHNEQP-MRXNPFEDSA-N 430.230 3.976 0 40 IHAB O=S(=O)(CCSc1nnc(-c2cccnc2)n1Cc1ccco1)c1ccccc1 11385323 DPTKUAUQHNLMPR-UHFFFAOYSA-N 426.523 3.547 0 40 IHAB O=C(NCCOc1ccc2nnc(-c3cccc(F)c3)n2n1)c1c(F)cccc1Cl 11693871 CZXIDHPQJHUBRF-UHFFFAOYSA-N 429.814 3.532 0 40 IHAB CCOC(=O)c1ccsc1NC(=O)CSc1nnc(N2CCCCC2)n1C1CC1 11779376 YEIYJGOKHUITSF-UHFFFAOYSA-N 435.575 3.572 0 40 IHAB Cc1nn(-c2ccc(Cl)cc2)c2nc3c(cc12)CN(CCCN1CCCC1=O)C(=O)O3 12251549 HQACMGALICUNCW-UHFFFAOYSA-N 439.903 3.709 0 40 IHAB CC(C)N(CCNC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)C(C)C 12734748 JQWQXWNMYSSADU-UHFFFAOYSA-N 443.613 3.677 0 40 IHAB CCn1c(CN2CCCCCC2=O)nnc1S[C@H](C)C(=O)Nc1ccc(C)c(F)c1 12807609 UNKOPNFFUOYNEQ-OAHLLOKOSA-N 433.553 3.767 0 40 IHAB CC(=O)N(c1nc(COC(=O)CCn2c(C)csc2=O)cs1)c1ccccc1F 12877738 IYHWCRDITXXMME-UHFFFAOYSA-N 435.502 3.632 0 40 IHAB CCCCN(C(=O)CN1CCc2sccc2[C@@H]1c1ccccc1)[C@@H]1CCS(=O)(=O)C1 12932281 KRDLTYWHHFIDEY-XXBNENTESA-N 446.638 3.511 0 40 IHAB CCOC(=O)c1[nH]c(CN2CCN(c3ccccc3Cl)CC2)c(C(=O)OCC)c1C 13058408 JAUCOBVAPAWLMM-UHFFFAOYSA-N 433.936 3.652 0 40 IHAB COCCn1c(SCC(=O)Nc2cccnc2Cl)nc2sc(C)c(C)c2c1=O 13134247 GUFSNSIQRVBUOH-UHFFFAOYSA-N 438.962 3.500 0 40 IHAB COc1cccc(CNc2cnn(C34C[C@@H]5CC(C[C@@H](C5)C3)[C@@H]4C(=O)O)c(=O)c2Cl)c1 13541711 FTODPHNOFJBRRH-KECNKYLPSA-N 443.931 3.753 0 40 IHAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccc(OC(F)F)c(OC)c2)c1C 13985068 GHDCKOCMQKGCAB-GFCCVEGCSA-N 439.411 3.846 0 40 IHAB COc1ccccc1[C@@H](CNC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3)N(C)C 14183712 BGRHAYHIGQMXJA-JOCHJYFZSA-N 448.567 3.554 0 40 IHAB COc1ccc(OC)c(S(=O)(=O)Nc2cnn(Cc3c(F)cccc3Cl)c2)c1 14235934 LFEDQYKTLYQHFL-UHFFFAOYSA-N 425.869 3.542 0 40 IHAB CCCNS(=O)(=O)c1cc(C(=O)NCc2ccc(Cl)cc2Cl)ccc1OC 14291908 GOLATYRQCZUYQM-UHFFFAOYSA-N 431.341 3.620 0 40 IHAB Cc1ccc(NC(=O)[C@H]2CCCO2)cc1S(=O)(=O)Nc1ccc(Br)cc1 15895810 ZICWYZHINYZNTN-MRXNPFEDSA-N 439.331 3.676 0 40 IHAB Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)N4CCN5CCC[C@@H]5C4)c3N2)cc1 15931281 GQFMRZHRGJJHOH-NZSAHSFTSA-N 433.478 3.772 0 40 IHAB CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]2[C@@H]2CCCN21 16033763 FPNPKKNUBZDJTB-XVIHEJCXSA-N 449.938 3.642 0 40 IHAB O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc(F)cc1 16400868 BICNXHOYSVRIRZ-UHFFFAOYSA-N 427.423 3.808 0 40 IHAB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CN1C(=O)c2ccccc2C1=O 17297405 GZSRFIOYPXYIHZ-UHFFFAOYSA-N 434.473 3.827 0 40 IHAB C[C@H](NC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1)c1ccc2c(c1)OCCO2 18108996 FPHPHRJJMUCMBT-INIZCTEOSA-N 442.471 3.745 0 40 IHAB Cc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@@H](O)c3ccc(NC(=O)C4CC4)cc3)CC1)O2 19219260 CWBYIGABAUUDPH-DHIUTWEWSA-N 436.552 3.728 0 40 IHAB COc1ccc(NC(C)=O)cc1NC(=O)COC(=O)c1cc(C)n(Cc2ccco2)c1C 19355700 MBNXXJXELMXWQN-UHFFFAOYSA-N 439.468 3.509 0 40 IHAB CCCN1CCN(Cc2nccn2CC)C[C@H](Cc2ccccc2-c2cccnc2)C1=O 19503291 VGXXWKKDOSKYHU-QHCPKHFHSA-N 431.584 3.878 0 40 IHAB COc1cccc([C@H]2CCCN2C(=O)Cn2cc(NC(=O)Cc3ccccc3F)cn2)c1 19749454 QZIQGNKGIITSMB-JOCHJYFZSA-N 436.487 3.576 0 40 IHAB Cc1ccccc1OCCCC(=O)N1CC[C@@H](c2ncc(C(=O)N3CCCC3)c(C)n2)C1 19757365 UOCUDIUPTRGSFQ-HXUWFJFHSA-N 436.556 3.505 0 40 IHAB COc1ccccc1NC(=O)c1cnc([C@H]2CCN(C(=O)Cc3ccccc3F)C2)nc1C 19766082 ZSFISCOCXMJDEE-SFHVURJKSA-N 448.498 3.744 0 40 IHAB COc1ccccc1CNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 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COC(=O)CCNC(=O)/C=C/c1cc(Br)c(OCc2ccccc2)c(OC)c1 62715014 JAGHVCWVUVPPPS-CMDGGOBGSA-N 448.313 3.729 0 40 IHAB CCCCc1ccc(NC(=O)Cn2c(=O)n(Cc3ccco3)c(=O)c3ccccc32)cc1 67197217 LNBYGVUJNFKACA-UHFFFAOYSA-N 431.492 3.786 0 40 IHAB CCOc1ccccc1NC(=O)Cn1nnc(C(=O)Nc2cc(Cl)ccc2C)c1C 71327298 LQXGKGMQGSRRRW-UHFFFAOYSA-N 427.892 3.838 0 40 IHAB CCc1noc(-c2ccc(-n3cnc(C(=O)NCc4ccc(OC(C)C)cc4)c3)nc2)n1 71768355 UBMJXDKVDYIZBJ-UHFFFAOYSA-N 432.484 3.597 0 40 IHAB COc1cc(CCC(=O)N2CCC3(CC2)C[C@@]2(CO3)Nc3ccccc3-n3cccc32)on1 72327279 XXBHXPZJWYQQAY-VWLOTQADSA-N 448.523 3.509 0 40 IHAB CN(C)C(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCN(C(=O)COc2ccccc2)C1 72395989 NSRVOGFPROHRJB-AREMUKBSSA-N 447.535 3.660 0 40 IHAB COc1ccc2c(c1)CN(C(=O)Nc1cccc(C[S@](=O)C3CCOCC3)c1)CC2 78814051 JGHAFTOSOQNFRJ-SSEXGKCCSA-N 428.554 3.713 0 40 IHAB CC(C)N1C(=O)C[C@@H](C(=O)NCCc2cn3ccccc3n2)[C@@H]1c1ccc(Cl)c(F)c1 95988720 QYIBFUIZMLJZFA-VGSWGCGISA-N 442.922 3.784 0 40 IHAB 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CCCOCc1cc(C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)ccc1OCC 224711304 VTRKCYZICTUQAZ-UHFFFAOYSA-N 429.469 3.837 0 40 IHAB CS(=O)(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccs2)cc1 225384904 DAVXCMWLMBGQFV-ROUUACIJSA-N 430.580 3.692 0 40 IHAB O=c1sc2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc2n1Cc1ccccc1 225739649 KYDDOGBNAZUBGN-UHFFFAOYSA-N 436.558 3.858 0 40 IHAB CCn1cc(S(=O)(=O)N2[C@H]3CC[C@@H](C3)[C@H]2COc2cccc(C(F)(F)F)c2)cn1 249696195 SHEPTWAQGDNRTO-DHSIGJKJSA-N 429.464 3.542 0 40 IHAB CC[C@@H]1C[C@@H](C(F)(F)F)n2nc([C@H]3CCN(CC(=O)NCCc4ccccc4)C3)cc2N1 253608803 QSHQDKWTXMNNIN-NSHGMRRFSA-N 449.521 3.729 0 40 IHAB COc1cccc(N([C@H](C)C(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)S(C)(=O)=O)c1 260592178 QDSXESKGUTWYPJ-UZLBHIALSA-N 446.569 3.577 0 40 IHAB COc1ccc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)cc1C(=O)N1CCCCCC1 408693468 VVNFHLLDBAMJGH-UHFFFAOYSA-N 446.613 3.959 0 40 IHAB CCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(I)cc2C)cc1 408703591 UDSSKASCGBPJIE-UHFFFAOYSA-N 444.294 3.614 0 40 IHAB CCOC(=O)COc1ccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1OC 409008388 XTVAOYJFORFQFR-ZHZULCJRSA-N 441.505 3.916 0 40 IHAB COc1ccc([C@H]2[C@@H](NC(=O)c3ccc(Cl)cc3)C(=O)N/[N+]2=C\c2ccc(C)cc2)cc1 409060781 VXGZGEGTFIHMPZ-WSBKAMHLSA-O 448.930 3.673 0 40 IHAB Cc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(C)cc2)cc1 409073833 TZDSJLUCLQKCAP-WAUWHALJSA-O 432.931 3.973 0 40 IHAB Cc1ccc(-n2c(SCC(=O)NC[C@@H]3CCCO3)nc3sc(C)c(C)c3c2=O)cc1 409202362 QCJPXVDWQCGHFJ-KRWDZBQOSA-N 443.594 3.760 0 40 IHAB O=C1c2ccccc2N2C(=O)CC[C@@]2(C(=O)NCCc2ccsc2)N1Cc1ccccc1 546836478 OLVPWHLQNUOCPF-RUZDIDTESA-N 445.544 3.586 0 40 IHAB O=C(c1cccc(-c2noc(C(F)(F)F)n2)c1)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F 552476551 ZGEDWGLRSZFBAJ-BBRMVZONSA-N 439.340 3.982 0 40 IHAB CCN1CCN(Cc2ccc(C(=O)O)cc2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O 585183610 MZWYLZZPZYOPCW-XMMPIXPASA-N 443.547 3.970 0 40 IHAB CC(C)(NC(=O)c1cccc(F)c1)C(=O)N1CCC[C@@H](Cc2cccc3nccn23)CC1 585261810 OALROBYSOYFWQM-GOSISDBHSA-N 436.531 3.853 0 40 IHAB CC(=O)N1CCO[C@](COc2ccc(Cl)c(C)c2)(CC(=O)N(C)Cc2ccccc2)C1 585284816 JNCCVTSRNFVRAC-XMMPIXPASA-N 444.959 3.693 0 40 IHAB Cc1ccc2c(C(=O)N(C)Cc3ccc(C(N)=O)cc3)cc(-c3cnn(C)c3)nc2c1C 1624338648 LNZNUDNFFZNZSN-UHFFFAOYSA-N 427.508 3.623 0 40 IHAB CCn1cc(CN(C)C(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccco2)N3)c(C)n1 919698 IOJSWBMPAAXLFC-PBHICJAKSA-N 436.438 3.933 0 40 IHAB COc1ccc(NC(=O)CSc2nnc3c(C)cc4ccc(OC)cc4n23)c(OC)c1 928417 WLMCIYJXDVHRLK-UHFFFAOYSA-N 438.509 3.948 0 40 IHAB Cc1ccc2c(c1)nnn2C1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 1380697 VAKZZCCUVSWKCU-UHFFFAOYSA-N 428.334 3.778 0 40 IHAB COC[C@H](C)n1c(SCC(=O)Nc2ccccc2C(C)=O)nc2ccccc2c1=O 3396461 YYKFWTBTTOHXKE-AWEZNQCLSA-N 425.510 3.537 0 40 IHAB COc1ccc(O[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)[C@@H]2c2ccc3c(c2)OCO3)cc1 3653548 KZJKNUIKFKVUTB-RPWUZVMVSA-N 447.443 3.684 0 40 IHAB CCN(CC)CCN(C(=O)Cc1ccccc1)c1nc2cc3c(cc2s1)OCCO3 5122075 DIHLWYZIFLCBAA-UHFFFAOYSA-N 425.554 3.985 0 40 IHAB COc1ccc(-c2noc(CN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(C)C)n2)cc1 6190542 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Cc1cccc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c1 9951428 OVHCTYCZZKIJKB-UHFFFAOYSA-N 438.505 3.616 0 40 IHAB Fc1ccc(-c2nnc(SCc3nnnn3-c3ccccc3)n2C[C@H]2CCCO2)cc1 10213519 NZFKDDWUDBXBGW-GOSISDBHSA-N 437.504 3.531 0 40 IHAB Cc1ccc(C)c(N([C@H](C)C(=O)Nc2ccc(Br)cc2F)S(C)(=O)=O)c1 10369828 WHDWQRPGGPRRGE-CYBMUJFWSA-N 443.338 3.998 0 40 IHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N1CCC(c2nc(O)cc(-c3ccccn3)n2)CC1 12241583 OEYMSKFHSOWSAW-JOCHJYFZSA-N 448.523 3.816 0 40 IHAB Cc1cc2cc3c(cc2n2c(SCC(=O)N4CCCc5ccccc54)nnc12)OCO3 12470394 TUEHSPHWXLGNJH-UHFFFAOYSA-N 432.505 3.991 0 40 IHAB c1ccc(CN2CCO[C@@H](CSc3nnc(CN4CCCC4)n3-c3ccccc3)C2)cc1 12512785 ZFYLMEGZRWUSRM-HSZRJFAPSA-N 449.624 3.856 0 40 IHAB Cc1nnc(SCC(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)n1-c1ccccc1 12606264 LHQLMMVGHOKRHR-UHFFFAOYSA-N 449.580 3.610 0 40 IHAB O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)Nc1cccc(I)c1 12656613 OTHLVCIKUZVXJP-UHFFFAOYSA-N 439.293 3.989 0 40 IHAB O=S(=O)(c1ccc2oc(SCc3nc4ccccc4s3)nc2c1)N1CCOCC1 12788904 JMECDOKFUWUAMV-UHFFFAOYSA-N 447.563 3.751 0 40 IHAB CCC(CC)C(=O)N1CCC[C@@H](c2nc(O)c3nnn(Cc4ccccc4Cl)c3n2)C1 13083523 ABXNSZYRVWESTM-MRXNPFEDSA-N 442.951 3.771 0 40 IHAB O=C(COc1ccc(Cl)cc1Cl)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 13692885 LNGKRLZLFZPAPE-UHFFFAOYSA-N 432.307 3.838 0 40 IHAB O=C(NCc1ccc(N2CCCC2=O)cc1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 14129074 QILAOEBHCLHAOR-LJQANCHMSA-N 439.943 3.635 0 40 IHAB CNC(=O)c1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccs2)cc1 14200105 TZASCZOYHXKRQF-FQEVSTJZSA-N 446.532 3.569 0 40 IHAB COc1cc(CN(C(=O)c2cccnc2Cl)C2CCCCC2)ccc1OCC(N)=O 17097729 FLKJKKJIFDCJGT-UHFFFAOYSA-N 431.920 3.583 0 40 IHAB CC(C)C(=O)N1CCC[C@H](c2cc(=O)[nH]c(C3CCN(CC4CCCCC4)CC3)n2)C1 19085471 HYENFLRFXVUNSV-NRFANRHFSA-N 428.621 3.892 0 40 IHAB Cc1ccc(S(=O)(=O)N2C[C@H]3C[C@H](NC(=O)c4cc5cc(Cl)ccc5o4)[C@H]3C2)cc1 19211829 BNGXGPFOMNFBQS-MNEFBYGVSA-N 444.940 3.834 0 40 IHAB CCCN1CCN(C(=O)c2c[nH]nc2C)C[C@H](Cc2ccc(-c3ccccc3)cc2)C1=O 19502693 DTODYKHPKXHACZ-QHCPKHFHSA-N 430.552 3.938 0 40 IHAB CCc1noc(C)c1C(=O)NCCn1nc(-c2cccnc2)cc1-c1cccc(OC)c1 19521290 WXZYYVNJJWJBGO-UHFFFAOYSA-N 431.496 3.910 0 40 IHAB NC(=O)c1cccc(-c2ccc([C@@H]3CCCN(CC(=O)Nc4ccc(F)cc4)C3)nc2)c1 19688629 YAHRFAQIQWBWTH-HXUWFJFHSA-N 432.499 3.805 0 40 IHAB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1 20019744 BFTKWJAEMNLTRW-UHFFFAOYSA-N 434.411 3.550 0 40 IHAB Cc1cc(=O)oc2cc(OCc3noc(C(=O)NCc4ccccc4Cl)n3)ccc12 20736763 NDLITOPCCBTYKR-UHFFFAOYSA-N 425.828 3.647 0 40 IHAB Cc1ccc(CN2C[C@@H](C(=O)N[C@@H](c3ccc(Cl)cc3)c3nccn3C)CC2=O)cc1 21600966 NGSNAJQLGPMAKB-UGKGYDQZSA-N 436.943 3.636 0 40 IHAB COc1ccc([C@H](CNC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)N2CCCC2)cc1 21805267 QJVQDGOXQJQEQV-NRFANRHFSA-N 449.507 3.688 0 40 IHAB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(C)cc2)cc1 22271315 CFHZCTUXRFQNNA-QHCPKHFHSA-N 438.549 3.922 0 40 IHAB COc1ccccc1N(CC(=O)N[C@@H](C)c1ccc(F)cc1)S(=O)(=O)c1ccccc1 22429685 JKWMNFBOCDFJBK-KRWDZBQOSA-N 442.512 3.907 0 40 IHAB Cc1cccc(NC(=O)CN2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)c1C 22935390 GLUUYLCZXVYALP-UHFFFAOYSA-N 439.947 3.763 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)CSC(C)C)c1 24554745 KHKSXFYMJHMSAQ-UHFFFAOYSA-N 427.636 3.788 0 40 IHAB COc1cc(CNC(=O)CCNC(=O)c2ccc3ccccc3c2)ccc1OC(F)F 24573572 GKTBAAHQPHEHJQ-UHFFFAOYSA-N 428.435 3.886 0 40 IHAB COc1ccc(N(C(=O)CCCl)[C@@H](C(N)=O)c2ccc(Br)cc2)cc1 26895919 KOOCAQNVRRMICY-QGZVFWFLSA-N 425.710 3.646 0 40 IHAB Cc1cc(=O)n2nc(CSc3nnc(-c4ccoc4C)n3-c3ccccc3)sc2n1 29845199 PVJMCZYIXOVGTO-UHFFFAOYSA-N 436.522 3.901 0 40 IHAB CNC(=O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2cc(C)ccc2C)C3=O)c1 36844472 QDYSDWYINNRQOQ-UHFFFAOYSA-N 427.460 3.716 0 40 IHAB Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc(F)cc3F)c2=O)c(C)c1 57492990 ADSKXCYHFMUCGO-UHFFFAOYSA-N 441.459 3.748 0 40 IHAB O=S(=O)(c1ccccc1)c1nnn2c1nc(Nc1ccc3c(c1)OCO3)c1ccccc12 57524130 UIXNVARJRISPGW-UHFFFAOYSA-N 445.460 3.583 0 40 IHAB CCOC(=O)c1ccn(-c2cccc(NC(=O)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)n1 58086689 CWHHAYSUUPTBDL-INIZCTEOSA-N 442.516 3.635 0 40 IHAB CN(CC(=O)Nc1cccc(Cl)c1Sc1ccccn1)S(=O)(=O)c1cccnc1 58162915 ZMJRCJRDQQVVLT-UHFFFAOYSA-N 448.957 3.540 0 40 IHAB COc1ccc(NC(=O)CC/C(C)=C/Cc2c(O)c3c(c(C)c2OC)COC3=O)cn1 62001431 HBDYCSVKOLTAAD-WLRTZDKTSA-N 426.469 3.691 0 40 IHAB biogenic O=C(NCc1ccccc1Cl)c1ccc([C@H]2Nc3ccccc3S(=O)(=O)N2)cc1 71328576 QDAAWCUOUSKEJH-FQEVSTJZSA-N 427.913 3.673 0 40 IHAB COc1ccccc1-c1noc([C@H](C)NC(=O)[C@@H](NC(=O)c2cccc(C)c2)C(C)C)n1 72303540 OMIYCFHPFMGADQ-JXFKEZNVSA-N 436.512 3.685 0 40 IHAB CNC(=O)c1sc2ccccc2c1[C@@H]1CCN(Cc2cc3c(cc2C)n(C)c(=O)n3C)C1 72352323 LNOACZNYAJSGCE-MRXNPFEDSA-N 448.592 3.749 0 40 IHAB Cc1ccnc(Nc2cc([C@H]3CCCN(C(=O)[C@@H](N)Cc4ccc(F)cc4)C3)nc(C)n2)c1 72355960 WCOYFRJEUBASSA-FPOVZHCZSA-N 448.546 3.647 0 40 IHAB Cc1cc(C)nc(Nc2cncc([C@H]3CCCN3S(=O)(=O)c3ccc(C)c(F)c3)n2)n1 72376329 OSYOZIWEYAIJDT-LJQANCHMSA-N 442.520 3.600 0 40 IHAB Cc1ccc(SCC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c(C)c1 89614464 WPMOIQPUBRUKCI-XNTDXEJSSA-N 430.595 3.540 0 40 IHAB O=C1CCc2cc(NC(=O)c3cccc(=O)n3CCOc3ccccc3Cl)ccc2N1 89814522 LUIGTJVMTUJZES-UHFFFAOYSA-N 437.883 3.718 0 40 IHAB O=C(NCCS(=O)(=O)c1cc(C(F)(F)F)cc(Cl)n1)c1ccc(Cl)cc1 91695069 FJABLGDILWBQEC-UHFFFAOYSA-N 427.231 3.611 0 40 IHAB Cn1c(CN2CCCCCC2)cc(=O)c(O)c1CN1CC=C(c2ccc(F)cc2)CC1 95472089 QISGOSYHQSRZRH-UHFFFAOYSA-N 425.548 3.895 0 40 IHAB Cc1noc(C)c1S(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 95950226 OUBZDBWTVGXPHO-UHFFFAOYSA-N 441.918 3.546 0 40 IHAB CC(C)CCN1Cc2c(C(=O)Nc3cccc(F)c3)ncn2-c2ccccc2S1(=O)=O 96266256 DGXNWVVSBYNKKZ-UHFFFAOYSA-N 442.516 3.814 0 40 IHAB NS(=O)(=O)c1ccc2c(c1)/C(=C\c1cn(-c3ccccc3)nc1-c1ccccc1)C(=O)N2 97112471 RYUMSKGUUPEYPU-FYJGNVAPSA-N 442.500 3.679 0 40 IHAB CCCC(=O)N1CCc2nc3cc(C4CCN(Cc5cccs5)CC4)nn3c(O)c2C1 100243051 FWVZWXYIUFCPTH-UHFFFAOYSA-N 439.585 3.561 0 40 IHAB NC(=O)c1sc2ncccc2c1[C@H]1CC[C@H](CNC(=O)CC2(O)CCCCC2)CC1 100688375 YILHRSRDERUXDE-IYBDPMFKSA-N 429.586 3.871 0 40 IHAB CCCCCCOCCOCCOCCOC[C@@H](O)COCCOCCCCCC 100923933 HBKCZGYFJAFFIT-QHCPKHFHSA-N 436.630 3.608 0 40 IHAB Cc1ccc(NC(=O)CSc2nnc(Cc3ccc4c(c3)OCCCO4)n2C)cc1C 101160684 OANOIEJELKOSSJ-UHFFFAOYSA-N 438.553 3.915 0 40 IHAB CCc1ccccc1NC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 102086960 ZFTUXUTWXLINDE-OMIGAHOISA-N 440.543 3.852 0 40 IHAB Cc1cccc(C)c1NC(=O)CSC(=S)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 113481426 RIEHMTLPCKPGCA-IRXDYDNUSA-N 427.595 3.541 0 40 IHAB O=C1N[C@@H](c2cccc(Br)c2)[C@@H](C(=O)c2ccccc2)[C@](O)(C(F)(F)F)N1 195531421 QFHWXDRJPSSTMX-ZQIUZPCESA-N 443.219 3.553 0 40 IHAB CC[C@@H](C(=O)NCCCN(C)c1ccccc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 219110101 JQYCUCIBNMXQKP-FQEVSTJZSA-N 437.993 3.527 0 40 IHAB COc1ccc(C)cc1N([C@@H](C)C(=O)NCc1ccc(Cl)cc1Cl)S(C)(=O)=O 220331547 WGNNUEGRXSBPBV-ZDUSSCGKSA-N 445.368 3.781 0 40 IHAB CC[C@H](C(=O)Nc1ccc(Cl)c(C(=O)OC)c1)N(c1cccc(C)c1)S(C)(=O)=O 220510681 VJOGXARAUCDPEP-GOSISDBHSA-N 438.933 3.618 0 40 IHAB CN(C)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(N(C)C)cc1 223235725 PAKKEZXUFGMHDG-RPWUZVMVSA-N 448.640 3.863 0 40 IHAB COc1ccc(-c2noc(CNS(=O)(=O)c3cc(Cl)ccc3Cl)n2)cc1OC 223587096 IBRMHALNXXCDKL-UHFFFAOYSA-N 444.296 3.539 0 40 IHAB Cc1ccc(OCCNC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1C 223746370 KEIYOSWFBDXTFE-UHFFFAOYSA-N 438.549 3.937 0 40 IHAB COc1cc(C)c(S(=O)(=O)NCc2ccccc2CN2CCCC2=O)cc1C(C)C 224189521 KBUSMHJLXXZBMQ-UHFFFAOYSA-N 430.570 3.728 0 40 IHAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccco2)ccc1NS(C)(=O)=O 225444269 CCYNQOVZKKRCPP-RTBURBONSA-N 428.539 3.532 0 40 IHAB COc1ccc(CN(C(=O)COc2ccc(Cl)c(C)c2)[C@@H](C)C(=O)NC(C)C)cc1 225677394 QRUQWQGGWDQLJL-KRWDZBQOSA-N 432.948 3.978 0 40 IHAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1ccc(Cl)c(Cl)c1 225826180 SLFOLBJVEBCQIC-UHFFFAOYSA-N 431.341 3.824 0 40 IHAB CO[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2cc(C)no2)CC1 257320095 VVJHJJUIJDGQBY-ZHALLVOQSA-N 427.549 3.765 0 40 IHAB CCn1cc(CN2CCO[C@@H](c3cccc(-c4cnc(N)nc4)n3)C2)c2cc(OC)ccc21 257328918 XHPPYAUMPFMLRD-XMMPIXPASA-N 444.539 3.678 0 40 IHAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2ccc(O)c(I)c2)S1 260786403 WVZCHJKYRJONMQ-UHNFBRDESA-N 437.306 3.981 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)C2)cc1 260890383 CXNSAZOBSKLBPT-GHTZIAJQSA-N 442.581 3.814 0 40 IHAB O=C(c1ccc(OC(F)(F)F)cc1)N1CC[C@@H](c2ccccc2F)S(=O)(=O)CC1 390831034 PEYYJPMONRMXQI-KRWDZBQOSA-N 431.407 3.726 0 40 IHAB CCc1cccc(C)c1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)c(OC)c2)C1 408553774 QLPGKEMLISCDKN-GOSISDBHSA-N 446.569 3.614 0 40 IHAB O=C([C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1)N1CCc2ccccc2C1 408556331 HTPRAXYJUZOCAY-HSZRJFAPSA-N 434.561 3.825 0 40 IHAB CCOc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2cccc3ccccc23)CC1=O 408656786 JDTRDDPOVDCWQG-GOSISDBHSA-N 432.476 3.773 0 40 IHAB C[C@@H]1CC[C@@H]2C(=O)N(c3cccc(C(=O)OCC(=O)N[C@H](C)c4ccccc4)c3)C(=O)[C@H]2C1 408657229 GZMKYXDAVWKPIP-YAKVFXAGSA-N 448.519 3.646 0 40 IHAB COc1cc2c(cc1OC)CC(=O)N(CC(=O)N[C@H]1CCCc3c1[nH]c1ccccc31)C=C2 524729140 FUIOUNLGTBJHJW-NRFANRHFSA-N 445.519 3.734 0 40 IHAB biogenic CC(C)C(=O)Nc1cc(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)ccn1 555086710 VYNIDOFCYFAECQ-UHFFFAOYSA-N 429.830 3.585 0 40 IHAB CN(C)[C@@H](CNS(=O)(=O)c1ccc(-n2cccn2)cc1)c1csc2ccccc12 575622532 ZSKBUFGJJIIZBK-FQEVSTJZSA-N 426.567 3.668 0 40 IHAB CC(C)n1cnc([C@H]2CN(C(=O)Cc3ccccc3)C[C@@]23CCCN(CC2CC2)C3=O)c1 585107543 ZKMYCXZGOXXTIE-GJZUVCINSA-N 434.584 3.651 0 40 IHAB COc1ccccc1-c1ccc([C@@H](C)NC(=O)c2cnn(-c3ccc(O)nn3)c2C)cc1 607702744 HUDNTMUBPIEETM-OAHLLOKOSA-N 429.480 3.843 0 40 IHAB Cc1c(C(=O)Nc2ccccc2)[n+]([O-])cn1-c1ccc2nc(NC(=O)C(C)C)sc2c1 1547211718 MHGPJQDWUUSMDQ-UHFFFAOYSA-N 435.509 3.876 0 40 IHAB CCOC(=O)c1c(NC(=S)NC(=O)c2c(Cl)cnn2C)sc2c1CCCCC2 849491 LRMGHJCXIOPIFH-UHFFFAOYSA-N 440.978 3.707 0 40 IHAB O=C(NCc1ccccc1)[C@H](c1ccc(F)cc1)N(Cc1ccco1)C(=O)c1cnccn1 931179 ACEXECSLYOTDEC-QHCPKHFHSA-N 444.466 3.909 0 40 IHAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)n2c(s/c(=C\c3ccoc3)c2=O)=N1 1012043 BBBDYXPIASBCAD-JKALPCAWSA-N 447.541 3.528 0 40 IHAB O=C1N(c2cccc(C(F)(F)F)c2)[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1Cl 1019716 CKRJIMVKHPSCIZ-HOTGVXAUSA-N 430.835 3.971 0 40 IHAB COc1ccc(-n2nc(C(=O)Nc3ccccc3)/c(=N/C(=O)c3ccccc3)s2)cc1 1409816 KWMMFAZXHZGCMP-BZZOAKBMSA-N 430.489 3.936 0 40 IHAB COc1cccc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1 2225462 GORAQVOSKHOQOS-UHFFFAOYSA-N 439.459 3.677 0 40 IHAB COc1ccc(NC(=O)Cn2c3c(sc2=O)[C@@H]2c4ccccc4OC[C@@H]2CS3)cc1 2405001 IFOYPCNDWLAKSH-YJYMSZOUSA-N 440.546 3.803 0 40 IHAB CCOc1ccc(N(CC(=O)NCCc2ccccc2)S(=O)(=O)c2ccccc2)cc1 3071412 UUOLMOVLAHXKAE-UHFFFAOYSA-N 438.549 3.640 0 40 IHAB CCC(C)(C)n1nnnc1[C@H](c1cc2cc(OC)ccc2[nH]c1=O)N1CCc2ccccc21 8584093 KDJVJLPLLJKXDP-QFIPXVFZSA-N 444.539 3.820 0 40 IHAB O=C(c1ccco1)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N12 8691576 XFFICXYXRPWXGZ-NMIHRBCNSA-N 428.419 3.691 0 40 IHAB COC(=O)c1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(F)cc4)[C@@H]3C2=O)cc1 8735664 APARKEVXSWZVIP-FKBYEOEOSA-N 446.434 3.663 0 40 IHAB COc1cc(C(C)=O)ccc1COc1ccc(C(=O)OCC(=O)NC(C)(C)C)cc1OC 8801748 ICYOLYOLTPPOPP-UHFFFAOYSA-N 443.496 3.557 0 40 IHAB COc1ccc(C(=O)Nc2ccccc2N2CCN(C(=O)c3ccccc3)CC2)cc1OC 8832482 CXHKWSUZUHDSEO-UHFFFAOYSA-N 445.519 3.919 0 40 IHAB COC(=O)c1ccc2nc(NC(=S)NC(=O)c3cc(Cl)ccc3OC)sc2c1 8904322 QORAHZJINDTZJF-UHFFFAOYSA-N 435.914 3.872 0 40 IHAB CCCOc1ccc(CN(C(=O)c2ccccc2OCC)[C@H]2CCS(=O)(=O)C2)cc1 8915741 KJJQXPWFGNOOHL-IBGZPJMESA-N 431.554 3.704 0 40 IHAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)c2ccccc2O3)c1 8961018 ZVFVQEAFGKWBKH-UHFFFAOYSA-N 440.477 3.887 0 40 IHAB CCc1cccc(CC)c1-n1c(SCC(=O)N2CCc3ccccc32)nc(O)cc1=O 9129124 IQGIUBSYZSXKFI-UHFFFAOYSA-N 435.549 3.744 0 40 IHAB O=C(CSc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CCCC3)N1CCCCC1 9256911 HILFLEFWLUSRFF-HNNXBMFYSA-N 447.626 3.620 0 40 IHAB COc1ccc(NC(=O)CSc2nnc(NC(=O)c3cccc(OC)c3)s2)cc1 9364636 ULRVTOXFUWCDFG-UHFFFAOYSA-N 430.511 3.538 0 40 IHAB O=C(C1=NN(c2ccccc2)C(=O)CC1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 9441838 NRXANEUCBYHNIS-KRWDZBQOSA-N 434.521 3.991 0 40 IHAB COC(=O)c1cc(NC(=S)NCCc2c[nH]c3ccc(Cl)cc23)cc(C(=O)OC)c1 9481881 LVZIRYDYMKTMAT-UHFFFAOYSA-N 445.928 3.924 0 40 IHAB COc1ccc(-c2cc(C(=O)NC[C@H](O)COCc3ccco3)c3ccccc3n2)cc1 9483558 VEWPYDSRUGMUOW-SFHVURJKSA-N 432.476 3.811 0 40 IHAB COc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 9525865 AEGUCJPXYFENFN-GFCCVEGCSA-N 437.279 3.537 0 40 IHAB O=C(Cc1ccc(-c2ccccc2)cc1)Nn1cnc2c(cnn2-c2ccc(F)cc2)c1=O 9563028 VZFYUJIUHFMXSE-UHFFFAOYSA-N 439.450 3.701 0 40 IHAB O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)Nc1cccc(C(F)(F)F)c1 9599801 MCOURPHXBKGOKC-UHFFFAOYSA-N 430.415 3.936 0 40 IHAB COc1cc(CN(C)CC(=O)N2CC(=O)Nc3ccccc32)ccc1OCc1ccccc1 9909411 JBOZXYXASYMMFX-UHFFFAOYSA-N 445.519 3.691 0 40 IHAB O=C(CSc1nc(=O)n(Cc2cccnc2)c2c1CCCC2)Nc1cccc(Cl)c1 10186735 VGTVKXQVXVKYJL-UHFFFAOYSA-N 440.956 3.950 0 40 IHAB COc1ccc2c(C)c(CCC(=O)NCc3ccc(Cn4cccn4)cc3)c(=O)oc2c1 10276432 JALNNZBIZKCSRW-UHFFFAOYSA-N 431.492 3.604 0 40 IHAB CN(C)c1ncc(-c2ccncc2)c(-c2ccc(CNC(=O)C[C@@H]3CCCCO3)cc2)n1 12222396 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C[C@@H](c1nnc(-c2cccs2)o1)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 13164925 PHSNDICWFDTTBD-ZDUSSCGKSA-N 426.498 3.939 0 40 IHAB C[C@@H](Sc1nnc2c3ccccc3n(C)c2n1)C(=O)Nc1nnc(C(F)(F)F)s1 13566158 QNLNNXSUNOZMHI-SSDOTTSWSA-N 439.448 3.506 0 40 IHAB CS(=O)(=O)N(CCCC(=O)Nc1ccc2c(c1)OCO2)c1cc(Cl)ccc1Cl 14399824 NCBACAXQGAUDNK-UHFFFAOYSA-N 445.324 3.907 0 40 IHAB O=C(Nc1cccc(F)c1)N1Cc2nc[nH]c2C[C@H]1c1nc(-c2ccc3c(c2)OCO3)no1 15707357 QXBHPZVTYMOCRM-KRWDZBQOSA-N 448.414 3.659 0 40 IHAB biogenic,in-vitro CCS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3cccc(Br)c3)c2)nn1 15880859 BKHOXLVEOVRSHR-UHFFFAOYSA-N 446.326 3.952 0 40 IHAB Cc1cc(C)cc(NC(=O)C(=O)NCCc2csc3nc(-c4ccccc4C)nn23)c1 17136102 UZBOVPPAHVYIOB-UHFFFAOYSA-N 433.537 3.680 0 40 IHAB O=C(c1ccc(F)cc1)N1CCc2nc([C@H]3CCCN3Cc3ccsc3)[nH]c(=O)c2C1 19332109 NMSWXIDZKDWMID-HXUWFJFHSA-N 438.528 3.506 0 40 IHAB O=C(CC1CCCC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CN(Cc1ccccc1F)CC2 19349290 ZNHUDYMLKXBWQT-QFIPXVFZSA-N 438.547 3.711 0 40 IHAB CCc1cc(C(F)(F)F)c2c(C3CCN(C(=O)COc4ccccn4)CC3)noc2n1 19522058 DTAZSJGAHACZSO-UHFFFAOYSA-N 434.418 3.984 0 40 IHAB CCc1ncc(CN2CCC[C@](Cc3ccccc3-c3cccnc3)(C(=O)NC)C2)cn1 19523374 ASBXTLYNTKVWIP-AREMUKBSSA-N 429.568 3.672 0 40 IHAB CCN1CCN(C(=O)c2cc(C(C)C)n[nH]2)C[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O 19527379 OETKVTIXCJVRGM-QFIPXVFZSA-N 445.567 3.758 0 40 IHAB COc1cccc(CC(=O)N2CCNC(=O)[C@H](Cc3cccc(-c4ccc(F)cc4)c3)C2)c1 19564373 AGBCAGDZWFALJS-HSZRJFAPSA-N 446.522 3.861 0 40 IHAB COc1ccc(CN2CCN(C)C(=O)[C@@H](Cc3ccccc3-c3ccncc3)C2)c(OC)c1 19589683 JVOZZOHZMNWPCF-QHCPKHFHSA-N 445.563 3.899 0 40 IHAB COc1cc(CN2CCNC(=O)[C@@H](Cc3cccc(-c4cccnc4)c3)C2)cc(OC)c1 19595119 CISBFOSXHBFMDD-QHCPKHFHSA-N 431.536 3.557 0 40 IHAB O=C(CN1Cc2ccccc2C1)N1CCO[C@@H](c2ccc(Cc3ccc(F)cc3)cn2)C1 19692343 SCJHSYFZUBHIGS-RUZDIDTESA-N 431.511 3.727 0 40 IHAB CC(C)NC(=O)c1sc2ccccc2c1[C@@H]1CN(S(=O)(=O)C2CCCC2)CCO1 19697551 OXQQIVJJWLJLKJ-KRWDZBQOSA-N 436.599 3.685 0 40 IHAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 20456839 ZFBSRQQCNWIXLJ-IBGZPJMESA-N 440.525 3.690 0 40 IHAB CCCC(=O)Nc1cccc(Cl)c1N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 21578381 WSEDKAKVBCUHFX-UHFFFAOYSA-N 435.977 3.898 0 40 IHAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 22340836 FGUAHYYDVSMSJW-LJQANCHMSA-N 430.570 3.796 0 40 IHAB CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 24757816 GRYPFWAKEKVTGW-MSOLQXFVSA-N 447.576 3.673 0 40 IHAB CN(CC(=O)NC(=O)c1ccc[nH]1)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 24983295 GTXZYEAORPPZIJ-UHFFFAOYSA-N 447.926 3.909 0 40 IHAB COC(=O)c1ccc2c(c1)CCN2C(=O)Cc1csc(COc2ccc(F)cc2)n1 25184963 HLWBMPGGCKTWOK-UHFFFAOYSA-N 426.469 3.780 0 40 IHAB CC[C@H](Oc1ccccc1F)C(=O)N(Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 28228493 BNWWNXUQMRBMQY-APWZRJJASA-N 439.936 3.852 0 40 IHAB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cn2ccccc2n1)c1cccs1 28834729 VGPRUCGVCNXILA-FQEVSTJZSA-N 443.532 3.535 0 40 IHAB COc1ccc([C@@H]2CCCN2C(=O)CCCn2cnc3c(C)cccc3c2=O)c(OC)c1 29067794 UUEKTBSFZSQXHE-NRFANRHFSA-N 435.524 3.866 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(C(=O)N(CCOC)Cc2cccs2)ccc1Cl 29236549 JAZYQEFWNPBCLE-UHFFFAOYSA-N 445.006 3.721 0 40 IHAB CCN(CCCNC(=O)C[C@H](NC(N)=O)c1cccc(Br)c1)c1ccccc1 32425713 XBPSWURZVCBQFP-IBGZPJMESA-N 447.377 3.581 0 40 IHAB Cc1nc(-c2ccc(F)cc2)c(CC(=O)NC2CCN(C(=O)c3ccoc3)CC2)s1 32754720 AXPMBVGAHFQTQY-UHFFFAOYSA-N 427.501 3.814 0 40 IHAB CN(C)S(=O)(=O)c1ccc(COc2ccc(C(=O)N(Cc3ccco3)C3CC3)cc2)o1 36364970 JSGZZZAPGLHXAP-UHFFFAOYSA-N 444.509 3.507 0 40 IHAB Cc1c(C(=O)O[C@H](C)C(=O)N(C)Cc2ccccc2)cnn1-c1ccc(C(F)(F)F)cn1 40040214 UFJSFCJIBARYPG-OAHLLOKOSA-N 446.429 3.798 0 40 IHAB COc1ccc([C@H](NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)c2ccccc2)cc1 45824033 LHFKGOUJNYANPF-RLBLXZPPSA-N 439.581 3.627 0 40 IHAB O=S1(=O)CC[C@@H](Cc2nnc(SCc3cc(-c4ccc(Cl)cc4)no3)o2)C1 48234993 LECIUHOOIVNQOF-NSHDSACASA-N 425.919 3.648 0 40 IHAB COc1ccc(CNC(=O)c2nnn(-c3ccc(F)c(C)c3)c2-c2ccncc2)cc1OC 49003530 IPYWIUOVPDOUEX-UHFFFAOYSA-N 447.470 3.724 0 40 IHAB COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)/C=C/c1cc(Cl)c2c(c1)OCCO2 58167609 PZYYAUITYHAUPD-ROJDOSBLSA-N 429.900 3.962 0 40 IHAB CCOC(=O)C1=C(CN2CCc3ccccc3C2)NC(=O)N[C@H]1c1ccc(SC)cc1 67286896 TWBSSNUGGDGTOC-QFIPXVFZSA-N 437.565 3.638 0 40 IHAB COc1ccc([C@@H]2CCCN2C(=O)c2cccc(N3NC(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)cc1 70010740 JBQKNBOPOYOXCD-VABKMULXSA-N 445.519 3.633 0 40 IHAB Cc1cc(Cc2ccc(C(F)(F)F)cc2)cc([C@@H]2CCN(C(=O)c3ccc(=O)[nH]n3)C2)n1 72380200 KZGNYBMKAIUVCX-QGZVFWFLSA-N 442.441 3.713 0 40 IHAB O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCN(Cc2nncn2C2CCCCC2)CC1 77197352 MYHWNYXSXGZWMW-UHFFFAOYSA-N 426.952 3.876 0 40 IHAB O=C(CN1CCCCCCC1=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 84343962 MNQACXPCWXLPES-UHFFFAOYSA-N 436.339 3.935 0 40 IHAB O=C(c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O)N1CCN(c2nccs2)CC1 95966813 ONMPWRIFHRIUTM-UHFFFAOYSA-N 432.908 3.548 0 40 IHAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCCn1nc(-c2ccccn2)cc1C1CC1 96121739 KMLAUTVSVKYAMH-UHFFFAOYSA-N 430.487 3.792 0 40 IHAB CC(C)COC(=O)N1CCC(N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 97234050 VXGCKYASIGVDRB-SFHVURJKSA-N 428.360 3.945 0 40 IHAB COc1ccc(CCNC(=O)[C@H](C)N(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 220430428 XLIFNCQUVRXHSZ-ZDUSSCGKSA-N 445.368 3.515 0 40 IHAB CCCOc1ccccc1CCCNC(=O)c1cccc(N2CCCCS2(=O)=O)c1 222561338 CORRVVVDPXSNEZ-UHFFFAOYSA-N 430.570 3.768 0 40 IHAB COc1ccc(N(CCCC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)cc1 223239036 IWGKGVADCBZLKB-KRWDZBQOSA-N 430.570 3.608 0 40 IHAB CC(C)(C)c1ccc(OCCNC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 223637114 VACDRFUNCOUFJS-UHFFFAOYSA-N 438.977 3.599 0 40 IHAB COC(=O)c1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)cc2)c1 224037707 AORIJYGRCYTJBN-UHFFFAOYSA-N 440.477 3.535 0 40 IHAB CS(=O)(=O)N(Cc1ccc(C(=O)NCCc2ccc(F)cc2)cc1)c1ccccc1F 224754759 ADRJMEMLUGGBNZ-UHFFFAOYSA-N 444.503 3.904 0 40 IHAB CC(=O)c1cccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)C(=O)c2ccccc2)c1 226389659 MTRDJRREEWGBFT-JEYZWYLSSA-N 440.499 3.547 0 40 IHAB COc1cc(C)ccc1OCC(=O)N1CCO[C@@H](c2cccc(Nc3cccc(C)n3)n2)C1 257227636 FQFNSVUAJYMAOB-JOCHJYFZSA-N 448.523 3.825 0 40 IHAB Cc1nc2cc([C@H]3CCCN3C[C@H]3CC=CCC3)nn2c(O)c1CCC(=O)N1CCCC1 257271238 MXLCDTCQBNFGPR-SIKLNZKXSA-N 437.588 3.792 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N2c3ccccc3C[C@H]2C)C1 260736832 IZDZUFXPFKRRGG-NVXWUHKLSA-N 448.972 3.727 0 40 IHAB O=S(=O)(c1ccccc1OC(F)(F)F)N1[C@H]2CC[C@H]1CC(Oc1ccccn1)C2 390830481 LIQAFWQNFPGYPU-KBPBESRZSA-N 428.432 3.743 0 40 IHAB CCC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OC)c(Cl)c2)cc1 408556048 ZBACVFQIUSMDRE-CQSZACIVSA-N 440.949 3.833 0 40 IHAB COC(=O)c1cccc(NC(=O)CSc2n[nH]c(C34CC5CC(CC(C5)C3)C4)n2)c1 408581167 GYWLSAKWHYQYIH-UHFFFAOYSA-N 426.542 3.790 0 40 IHAB O=C(COC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1)c1ccccc1 408640416 HWIQKEKBBPZSBD-HXUWFJFHSA-N 442.471 3.718 0 40 IHAB Cc1cccc(N2C[C@@H](C(=O)Oc3ccc(N4C(=O)c5ccccc5C4=O)cc3)CC2=O)c1 408653878 FNEAUOVEHSPMOI-KRWDZBQOSA-N 440.455 3.754 0 40 IHAB CCc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)cc1 408656095 ILIPXIPSZLDACM-NHCUHLMSSA-N 432.476 3.500 0 40 IHAB CCOc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3c(CC)cccc3CC)C2)cc1 408666826 STUOQIDDTFZIIR-LJQANCHMSA-N 438.524 3.745 0 40 IHAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NC3CCCC3)c(C)c2)cc1 408674835 JKUZLUYZNFUKKW-UHFFFAOYSA-N 432.542 3.632 0 40 IHAB COc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1 408906947 KYRZSAMBYGIGAF-UHFFFAOYSA-N 426.494 3.822 0 40 IHAB CCOCCCNC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 409118365 PHVIMOLAOQNTES-UHFFFAOYSA-N 445.368 3.732 0 40 IHAB CCN1CCN(C(=O)c2cccc(N(C)C)c2)[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O 585169026 OYOFPGUHPOWGJO-VWLOTQADSA-N 442.563 3.730 0 40 IHAB Cc1cnc(Nc2cccc(C3(C(N)=O)CCN(C(=O)C4CCCCC4)CC3)n2)s1 643550385 FAKOANYQOPWRNX-UHFFFAOYSA-N 427.574 3.516 0 40 IHAB CC(C)(NC(=O)c1cccc(F)c1)C(=O)N1CCOC[C@H](Cc2cncc3ccccc23)C1 1848352782 DALSEPBDEZAWMQ-GOSISDBHSA-N 449.526 3.600 0 40 IHAB CCCC[C@H](Oc1cc2c(cc1I)C(=O)OC(C)(C)O2)C(=O)OC 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COc1ccccc1-c1noc(CN2C(=O)N[C@](C)(c3cccc4ccccc34)C2=O)n1 9155608 TYGSDRSCIPCQRC-XMMPIXPASA-N 428.448 3.866 0 40 IHAB Clc1cccc(-n2c(SCc3nnnn3-c3ccccc3)nnc2N2CCCC2)c1 9208996 PCBATXFPIIMVRN-UHFFFAOYSA-N 438.948 3.789 0 40 IHAB CCOC(=O)C1=C(C)Oc2ncn3nc(-c4ccccc4O)nc3c2[C@@H]1c1ccccc1 9216168 KFOUIBDGPFVYRA-LJQANCHMSA-N 428.448 3.858 0 40 IHAB CCOc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc(Cl)c3C)CC2=O)cc1 9233565 PKQQAODCVDAOEV-HNNXBMFYSA-N 430.888 3.582 0 40 IHAB COc1cc(C(=O)OCC(=O)N2C[C@@H](C)O[C@H](C)C2)ccc1OCc1ccc(Cl)cc1 9247489 LZXQPAOGBPUUGL-HZPDHXFCSA-N 447.915 3.720 0 40 IHAB CCOC(=O)C1=C(COC(=O)C23CC4CC(CC(C4)C2)C3)NC(=O)N[C@@H]1c1cccs1 9315797 SIOGEHCAENITTA-HXNAPQRPSA-N 444.553 3.679 0 40 IHAB O=C(Nc1ccc2ccccc2n1)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 9469537 AUUVVZFOSJDTRJ-UHFFFAOYSA-N 431.464 3.552 0 40 IHAB CCOC(=O)c1c(C2CC2)csc1NC(=O)CSc1nc2nc(C)cc(C)n2n1 9510320 RDVHGDSOJGXRSA-UHFFFAOYSA-N 431.543 3.588 0 40 IHAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc(C(=O)NC4CC4)c3)c2)cc1 9689971 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Cc1nc(NC(=O)c2cc(Br)ccc2F)sc1-c1nnc(S)n1C 12871434 NXVYYIPDJGNARK-UHFFFAOYSA-N 428.312 3.690 0 40 IHAB CCc1cccc(N2C[C@@H](C(=O)NCc3ccc(NC(=O)c4ccco4)cc3)CC2=O)c1 12932719 SEHWIOSXPSLOKO-IBGZPJMESA-N 431.492 3.764 0 40 IHAB CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 12993007 BNSPDWRRODNPCN-IBGZPJMESA-N 431.510 3.550 0 40 IHAB COc1ccc(C2(C(=O)N3CCC(c4nnc(O)cc4-c4cc(C)no4)CC3)CC2)cc1 13226255 BBLCKRBHQQEBRZ-UHFFFAOYSA-N 434.496 3.592 0 40 IHAB O=C(O)c1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2ON1c1ccccc1 13759257 VARXRXVMXBPTGE-NJDAHSKKSA-N 432.407 3.575 0 40 IHAB COc1cc(C(=O)N(C)CC(=O)Nc2ccc(Cl)cc2)cc(OC)c1Br 14180197 CYTKMTVKOGALBV-UHFFFAOYSA-N 441.709 3.830 0 40 IHAB Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2[C@@H]2CCCN21 16000819 YPHXLCSUUWHSJE-PBQROFAYSA-N 449.938 3.696 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H](C(F)(F)F)C3)CC2)c(C)c1 16962420 GTFOOFWMFDHBCS-KRWDZBQOSA-N 432.508 3.505 0 40 IHAB COc1cc(NC(=S)NC(=O)c2ccccc2)ccc1N1C(=O)c2ccccc2C1=O 17097478 JYZFDQXXQXVMBL-UHFFFAOYSA-N 431.473 3.623 0 40 IHAB CCc1ncc(CN2CC[C@](Cc3ccc(-c4ccccc4OC)cc3)(C(N)=O)C2)cn1 19523317 UGXSXTIOGCWBND-AREMUKBSSA-N 430.552 3.635 0 40 IHAB Cc1nc(C2CCN(C(=O)c3cnn(C)c3C)CC2)nc2c1CCCN2Cc1ccccc1 19706033 PVAZOGFRHGQCPV-UHFFFAOYSA-N 444.583 3.800 0 40 IHAB Cc1nc([C@H]2CCCN(CC(=O)Nc3ccc4ncccc4c3)C2)nc2c1CCCN2C 19706988 BPDAFINCMYIQOT-IBGZPJMESA-N 430.556 3.534 0 40 IHAB CC(=O)N[C@H]1C[C@@H](c2cccc(NC(=O)c3cnn4cc(C)cnc34)c2)O[C@@H](C(C)C)C1 19712211 ZFXWTAAVRCDUOZ-FCEUIQTBSA-N 435.528 3.671 0 40 IHAB Cc1nc([C@@H]2CCCN(C(=O)COC(C)C)C2)nc2c1CCC(=O)N2CC1CCCCC1 19740326 NAYZZXXAQMUVCK-HXUWFJFHSA-N 442.604 3.776 0 40 IHAB COc1ccc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)CCCc3ccccc3)CC2)cc1 22517469 GFONOZUHWXNBRP-LJQANCHMSA-N 444.597 3.547 0 40 IHAB CCN(CC(=O)N[C@H](C)c1cc(C)c(C)cc1C)S(=O)(=O)c1cc(F)ccc1OC 22539277 WGQUYUQKOSZVAA-QGZVFWFLSA-N 436.549 3.648 0 40 IHAB CCOc1ccccc1NC(=O)C[C@@H]1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21 23382423 VAZHFWWAMNZRDJ-OAQYLSRUSA-N 441.491 3.947 0 40 IHAB CCOC(=O)N1CCC(NC(=O)COc2c(C)cc(Br)cc2Cl)CC1 24470234 OLDUGVLFBHJEQN-UHFFFAOYSA-N 433.730 3.527 0 40 IHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cccc(C)n2)c1 24576773 KFKOCKINDVBHHJ-UHFFFAOYSA-N 425.510 3.866 0 40 IHAB O=C(CCc1cnn(-c2ccccc2)c1)OCc1cc(=O)n2c(n1)sc1ccccc12 24863927 LJOQKBIGCSFPSH-UHFFFAOYSA-N 430.489 3.771 0 40 IHAB O=C(Nc1ccccc1)N1CCC[C@H](C(=O)N2CCN(c3cccc(Cl)c3)CC2)C1 26563014 KYNWBGJMURNVHO-SFHVURJKSA-N 426.948 3.933 0 40 IHAB CCN1CCN(c2ccc(NC(=S)NC(=O)c3cc(Cl)ccc3OC)cc2)CC1 32125292 VXPGVZXGEGLTBG-UHFFFAOYSA-N 432.977 3.617 0 40 IHAB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@H](CO)Cc2ccco2)cc1 32803210 RDHWOCQGDUCMFB-GOSISDBHSA-N 431.492 3.722 0 40 IHAB Cc1ccc(C(=O)O[C@H](C)C(=O)c2ccc3c(c2)NC(=O)CO3)cc1NC(=O)c1ccco1 32958301 DPUKYEXFXKPJAQ-CQSZACIVSA-N 448.431 3.599 0 40 IHAB Cc1ccc(OCC(=O)Nc2cccc(OCc3cc(=O)n4cc(C)ccc4n3)c2)cc1 33068149 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IHAB CSc1nc2cc(C)n(CC(=O)NCc3ccc(Cl)cc3)c2c(=O)n1CC(C)C 67320046 WPNCTAXXKIQSCS-UHFFFAOYSA-N 432.977 3.854 0 40 IHAB Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)N(Cc3cccnc3)C[C@H]3CCCO3)c12 70010571 MGCKZGAZENPILK-GOSISDBHSA-N 431.496 3.753 0 40 IHAB CC(C)(C)OC(=O)NC[C@H](NC(=O)Nc1ccc(N2CCOCC2)nc1)C1CCCCC1 72275355 PYWVOSAMETYSPE-IBGZPJMESA-N 447.580 3.513 0 40 IHAB COc1ccccc1CCC(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(CC(C)C)C(=O)C2 72371905 ULECEWVPZYSQHN-HXUWFJFHSA-N 436.556 3.635 0 40 IHAB Cc1nn2cc(S(=O)(=O)Nc3ccc4c(c3)OC3(CCCCC3)O4)cnc2c1Cl 89534523 SZONTWGAJPZPLS-UHFFFAOYSA-N 434.905 3.924 0 40 IHAB COc1ccc(-c2ccc3ccc(-n4ccc(C(=O)N5CCC(N(C)C)CC5)n4)n3c2)cc1 96155468 QBMVJXVLWGGDAS-UHFFFAOYSA-N 443.551 3.967 0 40 IHAB COCCNC(=O)C[C@H]1CC2(CCN(C(=O)c3cccc(C)c3)CC2)Oc2ccccc21 96243121 LEQGPEFLBVWKCY-NRFANRHFSA-N 436.552 3.689 0 40 IHAB CC(=O)N[C@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)C(=O)O 98091994 MFOVFDBMJIPSLM-RUZDIDTESA-N 439.515 3.855 0 40 IHAB COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)N[C@@H](C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 100119614 GQKYRYULAUMKPA-NJAFHUGGSA-N 425.529 3.928 0 40 IHAB S=C(NCc1ccc(CNC(=S)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1)N[C@@H]1C[C@H]2CC[C@@H]1C2 100999094 ZKKNNLRBCRXHKQ-DRGMGAIOSA-N 442.698 3.992 0 40 IHAB Cc1nc2sc([C@H](c3ccc(Br)cc3)N3C[C@H](C)O[C@@H](C)C3)c(O)n2n1 104202708 KBVFGQXDEVQCEJ-PGUXBMHVSA-N 437.363 3.766 0 40 IHAB CC(=O)O[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@]3(O)C(=O)C[C@]12C 123204664 BTCDWECIWQGRNF-WBNPWMPRSA-N 434.573 3.823 0 40 IHAB CC[C@H](Oc1cccc2ccccc12)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 216372926 YNEOTDGQPNELEG-QFIPXVFZSA-N 438.549 3.837 0 40 IHAB COc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3ccc(C)cc3C)n2)c(OC)c1 219538325 DHKWVXXVPYIPNV-MRXNPFEDSA-N 425.485 3.797 0 40 IHAB O=C(Nc1nnc(S(=O)(=O)Nc2ccc(Cl)cc2)s1)c1ccccc1Cl 222647458 RQERWVXIHGATAU-UHFFFAOYSA-N 429.310 3.898 0 40 IHAB COc1ccc(S(=O)(=O)N(C)Cc2cccc(C)c2)cc1C(=O)N1CCCCCC1 223875702 WWBUBWIOJCHSGU-UHFFFAOYSA-N 430.570 3.841 0 40 IHAB COc1ccc(CN(C(=O)COc2cccc(Cl)c2)[C@H](C)C(=O)NCC(C)C)cc1 224481234 SKGIBZPEOZWBGC-QGZVFWFLSA-N 432.948 3.917 0 40 IHAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc2c(c1)OCO2 225419681 VTUZWYDVGPXTSL-OAQYLSRUSA-N 440.540 3.690 0 40 IHAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C(=O)N1CN(C(=O)c1ccccc1)c1ccc(Cl)cc1)[C@@H]1C[C@H]31 227630691 ZFMMPPBIGVCAFH-UQOPEDAQSA-N 432.907 3.997 0 40 IHAB COc1cc2c(cc1CN1CCO[C@H](c3cccc(-c4ccc(C(N)=O)cc4)n3)C1)CCC2 257217952 DBGOHRSBXUWUFV-SANMLTNESA-N 443.547 3.918 0 40 IHAB Cc1cccc(OC(C)(C)C(=O)N2CCO[C@@H](c3ccc(Nc4ncccn4)cn3)C2)c1C 257223435 DXIVQJYQYJNNFI-JOCHJYFZSA-N 447.539 3.990 0 40 IHAB COc1ccccc1C(=O)N1CCC(COc2ccc(Cl)c(C)c2)(CC(N)=O)CC1 257240593 HUGCYGJGNUZJET-UHFFFAOYSA-N 430.932 3.834 0 40 IHAB CS(=O)(=O)c1c[nH]nc1[C@@H]1CCCCN1C(=O)c1ccnc(Oc2cccc(F)c2)c1 257301065 RWVSDXWPDKJNMW-KRWDZBQOSA-N 444.488 3.507 0 40 IHAB CC(C)Oc1ccc(-c2cnc(N(C)C)nc2[C@@H]2CCCN(C(=O)Cn3cccn3)C2)cc1 257330323 XNWOZRJXAPOBIQ-HXUWFJFHSA-N 448.571 3.600 0 40 IHAB CC1(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(N5CCCC5)c(F)c4)OCC[C@@]3(C2)[C@@H]1NC(=O)CCO 257339184 ZAOSYUZGPXTJNQ-UHRQDMHVSA-N 430.564 3.807 0 40 IHAB CCOC(=O)Nc1cc(S(=O)(=O)Nc2ccc(Br)cc2F)ccc1OC 408588032 WHDHWADJPMNRFQ-UHFFFAOYSA-N 447.282 3.966 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)Nc2c(F)cccc2F)CC1 408592776 OOYOISPADXSPIT-UHFFFAOYSA-N 444.887 3.666 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc2c(ccc3ccccc32)o1 408604821 IKXLGSMPFGDWSW-UHFFFAOYSA-N 436.489 3.859 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 408618646 KXAVEXYFLUFRPX-UHFFFAOYSA-N 432.542 3.665 0 40 IHAB COc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(OC)ccc3OC)cc2)c1 408906286 FLLQQNOGQVRTLL-UHFFFAOYSA-N 442.493 3.766 0 40 IHAB COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cccc(O)c3)C2=O)ccc1Cl 409159662 WAVIVAUPAHJJRB-LZYBPNLTSA-N 446.868 3.507 0 40 IHAB Cc1cc(Cl)ccc1NC(=O)Cn1nc(CNC(=O)c2ccccc2C)n(C)c1=S 409170292 VBDXEIIAKKWBAK-UHFFFAOYSA-N 443.960 3.790 0 40 IHAB CCCCNC(=O)c1ccccc1NC(=O)[C@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O 409407790 HUYKJGJODBUENA-SFHVURJKSA-N 445.585 3.627 0 40 IHAB Cc1nc2cc([C@@H]3CCCN3C(=O)[C@H]3C[C@H]3C)nn2c(C)c1CCC(=O)NC1CCCC1 409412791 FPKFMCMTQNOQCS-PDXHDDNESA-N 437.588 3.657 0 40 IHAB C[C@H](NC(=O)CSCC(=O)N[C@@H](C)c1ccc(Cl)cn1)c1ccc(Cl)cn1 527469761 NYKRTKJSVYFPDW-RYUDHWBXSA-N 427.357 3.571 0 40 IHAB O=C(Nc1cccc(I)c1)c1c[nH]nc1-c1ccc2c(c1)OCO2 542336035 AYBBAUVQLOTGLR-UHFFFAOYSA-N 433.205 3.662 0 40 IHAB O=C(NCc1ccc(-n2ccnc2)c(F)c1)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 586864702 GNCOSUBVBDNLGR-INIZCTEOSA-N 429.446 3.615 0 40 IHAB CC(C)n1nc(-c2ccccc2)nc1[C@H]1CC[C@@H](O)[C@H](NC(=O)COc2ccccc2)C1 2332241460 QRQOJBJICCAMDB-KSEOMHKRSA-N 434.540 3.718 0 40 IHAB CCn1c(COc2ccccc2C)nnc1SCC(=O)Nc1ccc(OC)cc1OC 915982 LBTRBONFSRKGLI-UHFFFAOYSA-N 442.541 3.933 0 40 IHAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 2427283 LGGOFPMWMXXCQN-TZMCWYRMSA-N 432.325 3.570 0 40 IHAB CCOC(=O)c1c(N)n(CCOC(=O)c2ccccc2Cl)c2nc3ccccc3nc12 2437072 AJNANPYNTQWCSV-UHFFFAOYSA-N 438.871 3.854 0 40 IHAB COC(=O)c1c(NC(=O)CSc2nnnn2-c2ccccc2)sc2c1CCCCC2 3267764 HAAXXNDDYAGXFW-UHFFFAOYSA-N 443.554 3.510 0 40 IHAB COC(=O)c1c(NC(=O)COC(=O)/C=C/c2ccc(Br)o2)sc(C)c1C 3399292 AVSHCWTWOAMJCI-FNORWQNLSA-N 442.287 3.702 0 40 IHAB COc1ccc(COC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)cc1F 3511164 KUWCWHLJVAVFPT-UHFFFAOYSA-N 426.421 3.569 0 40 IHAB CC[C@H](C(=O)Nc1ccc(S(=O)(=O)N(C)C2CCN(C)CC2)cc1)c1ccccc1 8345871 ZMRYEQCCMCFPGI-QFIPXVFZSA-N 429.586 3.534 0 40 IHAB C[C@H](C(=O)N1CCN(Cc2ccccc2)CC1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 8726297 JXXCWRCDPROSNO-ZJSXRUAMSA-N 449.595 3.718 0 40 IHAB COc1ccc(N(CC(=O)NC(C(C)C)C(C)C)S(=O)(=O)c2ccc(F)cc2)cc1 8918825 NKBHJEZSEGRWLE-UHFFFAOYSA-N 436.549 3.826 0 40 IHAB Cc1ccc2c(c1)[C@H]1CC(c3ccc(Cl)cc3)=NN1C1(CCN(S(C)(=O)=O)CC1)O2 9235195 QGPVRFVUVNGNFN-HXUWFJFHSA-N 445.972 3.944 0 40 IHAB COC(=O)N1CCc2c(sc(NC(=O)c3ccc(-c4ccccc4)cc3)c2C(N)=O)C1 9325283 PGBFEGTVPPAINS-UHFFFAOYSA-N 435.505 3.891 0 40 IHAB CCOC(=O)CSCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccc(OC)c1OC 9444054 LEVNCMDMGSBDJC-MRXNPFEDSA-N 448.566 3.739 0 40 IHAB CC(C)(C)c1ccc(-c2nnc(SCc3cc(=O)[nH]c(=O)[nH]3)n2-c2ccccc2)cc1 9491996 PQTGHBJXGFXRSP-UHFFFAOYSA-N 433.537 3.901 0 40 IHAB O=S(=O)(c1cccs1)N1CCN(c2nc3ccccc3nc2-c2ccccc2)CC1 9614337 GOYRYLZRRCNYPV-UHFFFAOYSA-N 436.562 3.869 0 40 IHAB NC(=O)c1oc2ccccc2c1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 9714749 USNZUAKKDNJBMT-UHFFFAOYSA-N 435.461 3.585 0 40 IHAB C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)N1CCC(C(=O)c2ccccc2)CC1 9987319 CFQIGPWTIVXLAS-OAHLLOKOSA-N 443.341 3.689 0 40 IHAB CN(CC(=O)Nc1ccccc1Cl)[C@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 10168033 VVWBDVGHMKVAQH-INIZCTEOSA-N 440.714 3.849 0 40 IHAB CS(=O)(=O)c1ccc(C(=O)N(CCCn2ccnc2)c2nc3ccccc3s2)cc1 10337702 FBEVSWBKXGJIEC-UHFFFAOYSA-N 440.550 3.633 0 40 IHAB CC1=C(C(=O)N2CCOCC2)[C@@H](c2cccc(C#N)c2)NC(=S)N1c1ccc(C)c(C)c1 11208720 YSFFOSVQEMQSFK-HSZRJFAPSA-N 446.576 3.744 0 40 IHAB CC(C)Oc1ccc(C(=O)NCC(=O)O[C@@H](C)C(=O)Nc2ccc(C(C)C)cc2)cc1 11717097 SGFVDCWDJYGMFV-KRWDZBQOSA-N 426.513 3.897 0 40 IHAB O=C(Cn1nnc(COc2ccccc2)n1)N1CCCC[C@H]1c1nc2ccccc2s1 12688698 CGAJKGCMKQVFJN-SFHVURJKSA-N 434.525 3.616 0 40 IHAB COc1cccc(NC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3Cc2ccccc2)c1 12912022 MANGFIVDAWSZKI-SANMLTNESA-N 441.487 3.813 0 40 IHAB COc1ccc(OC)c([C@H]2CCCN2S(=O)(=O)c2cccc(Br)c2)c1 12917461 PYUODYAUSLLSQS-QGZVFWFLSA-N 426.332 3.992 0 40 IHAB CCC(C)(C)n1nnnc1[C@@H](c1ccccc1Cl)N1CCN(C(=O)c2ccco2)CC1 13504186 OFMVQIFJXFYVLS-LJQANCHMSA-N 442.951 3.612 0 40 IHAB Cc1cc(C)cc(NC(=O)Cn2c(=O)n(CCc3ccccc3)c(=O)c3sccc32)c1 13533538 JWEXZZDAVWADOO-UHFFFAOYSA-N 433.533 3.723 0 40 IHAB CC(=O)Nc1ccc(S(=O)(=O)N(Cc2nc(-c3cccc(C)c3)no2)C(C)C)cc1 13567044 HRPLWLFZJVNXMG-UHFFFAOYSA-N 428.514 3.603 0 40 IHAB COc1ccc([C@@H](NCc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)c2ccccc2)cc1 14244595 RIGAVQJPFYAWJD-DEOSSOPVSA-N 431.492 3.828 0 40 IHAB CC(C)(C)C(=O)NC(=S)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1 14271776 MYFWAYVCWFPGPQ-UHFFFAOYSA-N 448.976 3.755 0 40 IHAB COc1cc2c(cc1NC(=O)[C@H](C)Oc1ccc(-n3cnnn3)cc1)oc1ccccc12 14352365 SWCWXWJITXBGQI-AWEZNQCLSA-N 429.436 3.976 0 40 IHAB O=C(CCNC(=O)c1ccc(Br)cc1)NC[C@@H](c1ccco1)N1CCCCC1 15477102 HIMVXJIJTHFASP-SFHVURJKSA-N 448.361 3.505 0 40 IHAB COc1cccc(CNC(=O)c2cc3c(cc2Cl)N2CCCCCC2=NS3(=O)=O)c1 15590131 JFUAIEXWWXTZIZ-UHFFFAOYSA-N 447.944 3.760 0 40 IHAB O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CCN(Cc2ccccc2)CC1 15679385 ZUFLUPJXGNFHGL-UHFFFAOYSA-N 425.330 3.797 0 40 IHAB O=C(Nc1ccccc1)N1Cc2nc[nH]c2C[C@H]1c1nc(-c2ccc3c(c2)OCO3)no1 15707366 XSWSUYMGKSPNRT-KRWDZBQOSA-N 430.424 3.520 0 40 IHAB biogenic,in-vitro COc1ccc(CCN(C)C(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1OC 15846552 DBQWKJXADWSSKA-QHCPKHFHSA-N 446.547 3.746 0 40 IHAB CC(C)[C@@H](NC(=O)Cc1csc(NC(=O)c2ccco2)n1)c1ccc2c(c1)OCCO2 16495552 NGJMWVJSSDQTOK-HXUWFJFHSA-N 441.509 3.816 0 40 IHAB CCOc1ccccc1-n1nnnc1SCc1nc(N)c2c3c(sc2n1)CCCC3 18270554 CQBKZUYMTLSJGQ-UHFFFAOYSA-N 439.570 3.819 0 40 IHAB Cc1cc(-c2cnc(N3CCCCC3)nc2C2CCN(C(=O)c3cccnc3)CC2)on1 19123059 BTXQLIKPKKZXNB-UHFFFAOYSA-N 432.528 3.845 0 40 IHAB CC(C)c1ccccc1OCC(=O)N1CCC(c2cc(C(F)F)n3ncnc3n2)CC1 19453358 KSUVVQDVQKDLIR-UHFFFAOYSA-N 429.471 3.970 0 40 IHAB CCCN1CCN(C(=O)c2ccnn2C)C[C@@H](Cc2cccc(-c3ccccc3F)c2)C1=O 19503039 RYHLLEUHXPPHGP-OAQYLSRUSA-N 448.542 3.780 0 40 IHAB COc1ccc(C(=O)N2CC[C@](Cc3ccc(-c4ccsc4)cc3)(C(=O)N(C)C)C2)cn1 19580106 OSQBSBCJVVROMS-RUZDIDTESA-N 449.576 3.982 0 40 IHAB COC(C)(C)C(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(CC1CCCCC1)C(=O)CC2 19741969 LXZPHYVNWXBYBZ-IBGZPJMESA-N 428.577 3.733 0 40 IHAB CNC(=O)c1cc([C@@H]2CN(Cc3cn(C)c4cc(OC)ccc34)CCO2)nc2ccccc12 19762049 WLQUFJVIFXLOMZ-VWLOTQADSA-N 444.535 3.668 0 40 IHAB O=C(Nc1ccccc1Br)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 19857146 JOYLIOCGRWILCJ-INIZCTEOSA-N 437.359 3.630 0 40 IHAB COc1cc([C@H](c2c(O)n[nH]c2C)c2c(C)n[nH]c2O)ccc1OC(=O)c1ccccc1 19930619 YLTSHVDQKADTBR-UHFFFAOYSA-N 434.452 3.569 0 40 IHAB O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)N[C@H]1CCCc2ccccc21 20018768 IWTUQSFCVZCLDB-QHCPKHFHSA-N 442.581 3.870 0 40 IHAB COc1ccccc1NC(=O)COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 21763136 XKBNZOVMFFWYDR-UHFFFAOYSA-N 437.418 3.507 0 40 IHAB O=S(=O)(c1ccc(Cl)s1)N1CCN(Cc2nc(-c3ccco3)cs2)CC1 22605852 NGNMNEDEFPGCLW-UHFFFAOYSA-N 429.976 3.625 0 40 IHAB CCOc1ccc(NC(=O)Cc2csc(Nc3ccc(S(C)(=O)=O)cc3)n2)cc1 23136685 JYNWVZYGWFGTEP-UHFFFAOYSA-N 431.539 3.870 0 40 IHAB Cc1nc2c3ccccc3nc(SCC(=O)N(C)Cc3cnn(-c4ccccc4)c3)n2n1 24966008 ZIABVLCSWQSZCA-UHFFFAOYSA-N 443.536 3.522 0 40 IHAB Cn1c(CN2CCOCC2)nc2cc(NC(=O)COc3ccc(C(C)(C)C)cc3)ccc21 26121632 JHHIIJVJASAMFE-UHFFFAOYSA-N 436.556 3.721 0 40 IHAB Cc1c(NC(=O)C2(c3ccc4c(c3)OCCO4)CCCC2)c(=O)n(-c2ccccc2)n1C 32841382 QVZTXPWOIZPVHB-UHFFFAOYSA-N 433.508 3.706 0 40 IHAB Cn1c(SCC(=O)Nc2ccnn2Cc2cccc(Cl)c2)nnc1-c1ccco1 32858165 YFEQUVQLIJZZTC-UHFFFAOYSA-N 428.905 3.704 0 40 IHAB CCCCn1c(=O)c2sccc2n2c(CCC(=O)NC[C@@H](C)c3ccccc3)nnc12 35528752 UTFIMJIELKZCLB-MRXNPFEDSA-N 437.569 3.758 0 40 IHAB CC(C)[C@@H](CO)NC(=O)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 36575830 CPBNLIHBFKCVBZ-NOZRDPDXSA-N 430.548 3.809 0 40 IHAB CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(OCc2cc(=O)n3oc(C)cc3n2)cc1 41085696 JNCPPRZTQJXLTK-NRFANRHFSA-N 433.464 3.971 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1ccccc1Br 44949788 XVUJFOBMQRKRDZ-UHFFFAOYSA-N 432.299 3.897 0 40 IHAB Cc1cc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccc(C)c(C)c2)[nH]n1 57426362 WADCXSKQVOCZJX-UHFFFAOYSA-N 439.566 3.885 0 40 IHAB O=S(=O)(c1cccnc1)N1CCC2(CC1)C[C@H]2c1nc(-c2cccc(Cl)c2)no1 69697299 WFAHKSYLLTVCOP-KRWDZBQOSA-N 430.917 3.743 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)NCC1CCN(c2nc3ccccc3o2)CC1 70924015 DAIGZRZOCWSPFT-UHFFFAOYSA-N 435.933 3.685 0 40 IHAB CC(C)n1c(CN2CCC3(CC2)C[C@]2(CO3)NC(=O)c3ccccc3N2)nc2ccccc21 72325459 CZEJVDXDQCECAN-AREMUKBSSA-N 445.567 3.924 0 40 IHAB CNc1ncccc1CN1CCC(c2nnc([C@H]3CCCCN3C(=O)C(C)C)o2)CC1 72344927 ZFAAARZCNUQEJD-LJQANCHMSA-N 426.565 3.596 0 40 IHAB CC(C)(c1ccccc1)[C@@H](OC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)C(F)(F)F 95458081 IQJGZRZEMYRAMR-LJQANCHMSA-N 434.414 3.532 0 40 IHAB COCCN(C)c1nc(C2CCN(Cc3nccs3)CC2)cc2c1ncn2C(C)C 96100028 MMLPCGKUECBHHJ-UHFFFAOYSA-N 428.606 3.931 0 40 IHAB CCCOc1ccc(N2C(=O)C[C@H](N3CCC(Nc4ccccc4F)CC3)C2=O)cc1 100209938 JLEPRZJPXTYNQG-QFIPXVFZSA-N 425.504 3.823 0 40 IHAB COC(=O)Cn1/c(=N/C(=O)c2c(F)cccc2F)sc2cc(Br)ccc21 100876396 JGIOUBMMPXZLKL-FXBPSFAMSA-N 441.253 3.658 0 40 IHAB COc1cc([C@@H]2C=C(c3ccc(Br)cc3)Nc3nnnn32)cc(OC)c1OC 101220180 JGRYMUBONFJPIE-HNNXBMFYSA-N 444.289 3.517 0 40 IHAB CCCOc1ccccc1CCCNC(=O)c1ccc(N(C)S(C)(=O)=O)cc1Cl 222523498 OEYZNPFBUIQXDM-UHFFFAOYSA-N 438.977 3.887 0 40 IHAB CC(C)C[C@H](NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1)c1ccccc1 222807636 QAYKGJBDCVHTRW-KRWDZBQOSA-N 430.555 3.856 0 40 IHAB Cc1ccc(N(CC(=O)NCCOc2ccccc2C(C)(C)C)S(C)(=O)=O)c(C)c1 223677858 XGUCYBIEUALMGV-UHFFFAOYSA-N 432.586 3.562 0 40 IHAB COC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3C)c2)c1 224122720 UTAYMHBVQCZQOS-UHFFFAOYSA-N 438.505 3.859 0 40 IHAB Cc1ccc(OCCNC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1Cl 224143669 GOZHPUVTDBFNPH-AWEZNQCLSA-N 445.368 3.652 0 40 IHAB C[C@@H](CC(C)(C)c1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 225472119 LYBOPEMOLSWFFD-IBGZPJMESA-N 428.598 3.960 0 40 IHAB CCOc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2OC)cc1Cl 225760118 WPRMAOLCRPHTBP-UHFFFAOYSA-N 438.933 3.784 0 40 IHAB CCOC(=O)c1cccc(NC(=S)NCc2nc(-c3cccc(OC)c3)no2)c1C 225822717 FVNJAIOAFKHMOA-UHFFFAOYSA-N 426.498 3.717 0 40 IHAB C[C@H]1CCCCN1c1cc(Sc2ncccn2)nc(NC(=S)NCc2ccco2)n1 225912637 PUPOPBRRXCNDGF-AWEZNQCLSA-N 441.586 3.876 0 40 IHAB COc1ccc2c(c1Oc1nnnn1-c1ccccc1)[C@@]13C=CC=C[C@@H]1[C@@H](C2)N(C)CC3 253504729 LESJUFQCEZICRC-UMEGOILYSA-N 427.508 3.703 0 40 IHAB biogenic,in-vitro CCN(CC)S(=O)(=O)N1CCO[C@H](c2cc(Cc3ccccc3Cl)cc(C)n2)C1 257263688 LRAVJFMCWNJJEN-NRFANRHFSA-N 437.993 3.594 0 40 IHAB COCc1ccc(C(=O)N2CCO[C@H](c3ccc(Nc4nc(C)cc(C)n4)cn3)C2)cc1 257292059 QJUDHKGDESMNGQ-QFIPXVFZSA-N 433.512 3.592 0 40 IHAB COc1ccc(-c2cccc([C@H]3CN(C(=O)CCc4[nH]nc5c4CCCC5)CCO3)n2)cc1 257304502 SLYJSDFVCCSOOW-RUZDIDTESA-N 446.551 3.892 0 40 IHAB Cc1ccc(OCCNC(=O)[C@@]2(C)CCCN(C(=O)c3ccc4nc(C)[nH]c4c3)C2)c(C)c1 257327808 XCUJWGXCEPRHFO-SANMLTNESA-N 448.567 3.926 0 40 IHAB CCc1ccc(N([C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)S(C)(=O)=O)cc1 260899629 OYZLJHMJLJQPAJ-CYBMUJFWSA-N 430.448 3.941 0 40 IHAB C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 408583547 IGENYXAGCPKCSC-OAHLLOKOSA-N 442.924 3.877 0 40 IHAB C[C@@H]1C[C@H](N2CCOCC2)CN1c1nc(-c2cccnc2)nc2sc3c(c12)CCCC3 520442237 STPCUSPMWPFIHZ-AEFFLSMTSA-N 435.597 3.932 0 40 IHAB CC(C)C(=O)N1CCCCCCCNCc2cc(C(=O)NC[C@@H]3CCCN(C)C3)ccc21 643584107 TUNUDXCMGOHIQE-NRFANRHFSA-N 442.648 3.801 0 40 IHAB Cc1ccc(C(=O)N2CCc3nc(C(=O)Nc4ccc(Cl)cc4)sc3CC2)cn1 2055785161 PZQCOMCWTPNCPM-UHFFFAOYSA-N 426.929 3.993 0 40 IHAB CCn1c(CSc2nc(C)cc(C)n2)nnc1SCC(=O)Nc1ccc(F)cc1 903436 JVVAJNTZEXGIMQ-UHFFFAOYSA-N 432.550 3.867 0 40 IHAB Cc1ccc(S(=O)(=O)N(Cc2cc3ccc(C)c(C)c3[nH]c2=O)C[C@@H]2CCCO2)cc1 923251 QXUOMXVOXUDZJY-NRFANRHFSA-N 440.565 3.823 0 40 IHAB COC(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccco2)cc1 1223914 JFWISGWVSPNDKH-UHFFFAOYSA-N 449.488 3.555 0 40 IHAB Cc1ccc(Cn2nnc3c(=O)[nH]c([C@H]4CCCN(C(=O)CCC5CCCC5)C4)nc32)cc1 1334139 DIVSEMDVAPCFHT-FQEVSTJZSA-N 448.571 3.548 0 40 IHAB CSc1ccc(/C=c2\sc3nc(-c4ccccc4Br)nn3c2=O)cc1 2394007 MIXYMWXJLLYWPB-GDNBJRDFSA-N 430.352 3.850 0 40 IHAB NC(=O)c1c(NC(=O)COc2ccc(C(=O)c3ccc(F)cc3)cc2)sc2c1CCC2 2639380 CMYBRQXLHAHLBB-UHFFFAOYSA-N 438.480 3.723 0 40 IHAB CC[C@H](c1nnc(SCC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)o1)N(C)C 2659160 XLXUVCZSFQGIDQ-OAHLLOKOSA-N 433.559 3.945 0 40 IHAB CC(C)N(C(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1ccccc1 2664807 TYTOPQJZVJEXGD-UHFFFAOYSA-N 427.504 3.924 0 40 IHAB CCOc1ccc(-n2c(SCC(=O)NC3CC3)nc3sc4c(c3c2=O)CCC4)cc1 3562644 FKVFUEKNZQBMRE-UHFFFAOYSA-N 441.578 3.705 0 40 IHAB O=C(Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)(=O)C2)C12CC3CC(CC(C3)C1)C2 4034757 YEVYBODZMZJTEV-UHFFFAOYSA-N 429.517 3.595 0 40 IHAB CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1OCC 6601849 WJNUFBHTGWBBFA-UHFFFAOYSA-N 432.542 3.911 0 40 IHAB Cc1ccc2oc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)cc(=O)c2c1 8845856 IOSKRQZEXUECTM-UHFFFAOYSA-N 441.490 3.611 0 40 IHAB Cc1ccccc1-n1nnnc1SCC(=O)Nc1ccccc1C(=O)Nc1ccccc1 8892998 GHXLYKFFRFHNOW-UHFFFAOYSA-N 444.520 3.954 0 40 IHAB CC[C@@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)N1CCCCC1 8994297 GLRBRGKHYINNPQ-OOULBGLYSA-N 443.613 3.578 0 40 IHAB CCOc1ccc([C@@H]2Nn3c(CC)nnc3S[C@@H]2C(=O)Nc2ccc(OC)cc2)cc1 9197701 WYMFHUAREPBESY-PMACEKPBSA-N 439.541 3.646 0 40 IHAB O=C(c1cccc(Cl)c1)N(Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 9346064 UAKWBLURUDZCHK-QGZVFWFLSA-N 442.762 3.932 0 40 IHAB CCOc1ccc(-c2nnc3ccc(SCC(=O)NCc4ccc(F)cc4)nn23)cc1 9415301 ZNZMIFURQHTTMW-UHFFFAOYSA-N 437.500 3.738 0 40 IHAB CC(=O)c1cc2c(cc1NC(=O)c1nn(-c3ccccc3)c(=O)c3ccccc13)OCO2 9663659 TWZFMOJOZVRJOJ-UHFFFAOYSA-N 427.416 3.569 0 40 IHAB Cc1cc(C)cc(-c2nnc(SCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)o2)c1 9953003 PRUPLFQAPDIBGI-UHFFFAOYSA-N 449.536 3.882 0 40 IHAB COc1ccccc1C(=O)NC(=O)COC(=O)c1ccccc1OCc1ccc(F)cc1 9963362 VORMTMTYSZURNS-UHFFFAOYSA-N 437.423 3.527 0 40 IHAB O=C(Nn1cnc2c(cnn2-c2ccccc2)c1=O)C1c2ccccc2Oc2ccccc21 10251332 CEECTQPYPDROHD-UHFFFAOYSA-N 435.443 3.590 0 40 IHAB COc1ccc(N([C@@H](C)C(=O)Nc2cccc(SC)c2)S(C)(=O)=O)cc1Cl 10334003 QIXHYACVPODKTR-LBPRGKRZSA-N 428.963 3.864 0 40 IHAB COc1ccc(Cn2nnnc2SC[C@H](O)COc2ccc(-c3ccccc3)cc2)cc1 10578732 JXKDGRZQPHXFBH-OAQYLSRUSA-N 448.548 3.929 0 40 IHAB CN(C(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1cccnc1)c1ccccc1 11696064 HZGOPKALGXBJRW-UHFFFAOYSA-N 429.929 3.589 0 40 IHAB Cc1nn(CC(=O)Nc2ccc(C(F)(F)F)cc2)c(=O)c2c1cnn2-c1ccccc1 12227943 LUOIKMDTESASLS-UHFFFAOYSA-N 427.386 3.548 0 40 IHAB Cn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 12602711 KTUNJKWMSOSNSR-UHFFFAOYSA-N 449.536 3.605 0 40 IHAB C[C@H](NC(=O)c1ccc(NC(=O)CSc2nnnn2C)cc1)c1cccc2ccccc12 12688402 DMWFIZKNKPBENR-HNNXBMFYSA-N 446.536 3.585 0 40 IHAB CCOC(=O)C1=C(COC(=O)c2ccc(F)cc2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 12689036 CRGRKHCCZMGLST-GOSISDBHSA-N 432.835 3.507 0 40 IHAB O=C(N[C@@H]1CCOc2ccccc21)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 12694967 WKATUKULOJLLAM-HSZRJFAPSA-N 448.544 3.687 0 40 IHAB CCN(CC(=O)NC(C)C)C(=O)CSc1ncnc2cc(-c3ccc(F)cc3)sc12 12696432 HZFRHIZWYYTWCC-UHFFFAOYSA-N 446.573 3.963 0 40 IHAB Cc1ccc2[nH]cc(CCN3C[C@@H](C(=O)Nc4nnc(CC(C)C)s4)CC3=O)c2c1 12863052 JWIVKONQUQCPKL-INIZCTEOSA-N 425.558 3.556 0 40 IHAB CCOc1ccc(N2C[C@H](C(=O)O[C@H](C)C(=O)Nc3ccccc3SC)CC2=O)cc1 12915383 AFGOPEWZGLLURE-HZPDHXFCSA-N 442.537 3.731 0 40 IHAB CCOc1cc(COC(=O)Cc2cc(OC)c(OC)c(OC)c2)ccc1OC(F)F 12945948 OEQIONSKSHUTCJ-UHFFFAOYSA-N 426.412 3.998 0 40 IHAB O=C(/C=C/c1ccsc1)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 12973301 UMXJSTYMEKVNQJ-SNAWJCMRSA-N 431.366 3.601 0 40 IHAB CCn1c(SCC(=O)NC[C@H]2CCCO2)nc2sc(-c3ccccc3)c(C)c2c1=O 12999079 AHOKTZMVVQSGJP-MRXNPFEDSA-N 443.594 3.841 0 40 IHAB C[C@@H](OC(=O)c1ncc(Cl)c(Cl)c1Cl)C(=O)Nc1ccc2c(c1)OCCO2 13040940 VOZDNJDOUSDBPT-MRVPVSSYSA-N 431.659 3.997 0 40 IHAB Fc1ccc(N2CCN([C@@H](c3ccccc3)c3nnnn3Cc3ccccc3)CC2)cc1 13504582 QYAVLDUZTAZGHV-DEOSSOPVSA-N 428.515 3.772 0 40 IHAB COCCn1c(SCC(=O)c2cccc(N3CCCC3=O)c2)nnc1-c1ccccc1 14142117 YISKWTNYZFRWGD-UHFFFAOYSA-N 436.537 3.693 0 40 IHAB O=C(CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1)NCc1ccccc1F 14247940 CJXXHSURAHUDAJ-OAHLLOKOSA-N 432.546 3.733 0 40 IHAB COC(=O)c1ccc(C)c(NC(=O)CCCN(c2cc(C)ccc2C)S(C)(=O)=O)c1 14399048 QXZRMUAYRQHNJL-UHFFFAOYSA-N 432.542 3.583 0 40 IHAB CCOC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 14830967 NKIKZJFTMBGZOW-UHFFFAOYSA-N 430.526 3.680 0 40 IHAB CCOc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccc(F)cc5)no4)ccn3n2)cc1 16842692 QIVLWRUGGQWJML-UHFFFAOYSA-N 431.427 3.799 0 40 IHAB CCOC(=O)C1CCN(C(=O)c2ccc3c(c2)C(=O)N(c2cc(C)ccc2C)C3=O)CC1 17169399 AVGYLWAMQVJFPN-UHFFFAOYSA-N 434.492 3.519 0 40 IHAB Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)cc1F 17188490 DXSAQEIEQRZSAN-UHFFFAOYSA-N 431.316 3.588 0 40 IHAB CC(C)[C@@H](NC(=O)COc1ccccc1F)c1cc(O)n2nc(-c3ccccn3)cc2n1 19445424 WVWSMFSDSYIYDW-HSZRJFAPSA-N 435.459 3.528 0 40 IHAB CCc1nn(C)c(C(=O)N2CCO[C@@H](c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)c1C 19521028 LIXJGUBLZDQSNA-MRXNPFEDSA-N 449.433 3.573 0 40 IHAB CC(=O)N1CCO[C@@H](c2c(C(=O)NCCN(C(C)C)C(C)C)sc3ccccc23)C1 19696907 OXJHDVHLACRRTB-LJQANCHMSA-N 431.602 3.670 0 40 IHAB CCN(CC)CCCn1c(SCC(=O)c2ccc(O)cc2O)nc2ccccc2c1=O 22216501 SFUPNIOUZAHBQP-UHFFFAOYSA-N 441.553 3.515 0 40 IHAB Cc1ccccc1[C@@H](C)NC(=O)CN1CCN(Cc2ccc(Br)s2)CC1 22929891 PGAASDMXSXCOKH-MRXNPFEDSA-N 436.419 3.814 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](c2nnc(COc3ccccc3)o2)C1 23140418 HYUYKBSGMKNPFJ-QGZVFWFLSA-N 443.525 3.534 0 40 IHAB Cc1sc2nc(CN3CCOCC3)nc(N3CCN(c4ccc(F)cc4)CC3)c2c1C 23956069 PWFAZUAIHDKHRX-UHFFFAOYSA-N 441.576 3.606 0 40 IHAB Cc1noc(C)c1CCC(=O)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 24920087 SXTYIPFEAZREBJ-UHFFFAOYSA-N 428.533 3.831 0 40 IHAB Cc1ccsc1CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 29236902 PAEFBNZXJWHFPS-UHFFFAOYSA-N 432.611 3.652 0 40 IHAB CCn1c(CC(=O)Nc2ccc(F)cc2)nnc1SCC(=O)Nc1ccc(F)cc1C 32579589 NKCVTDUHQPKAOG-UHFFFAOYSA-N 445.495 3.797 0 40 IHAB Cc1cc(NC(=O)Cc2ccc3c(c2)OCCO3)n(-c2cccc(Br)c2)n1 32832100 SBWDVOZFYQNCOF-UHFFFAOYSA-N 428.286 3.896 0 40 IHAB CC(=O)NCc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)s1 32903089 JOVBMXFEZNKDNV-UHFFFAOYSA-N 442.868 3.780 0 40 IHAB CCOC(=O)c1ccc(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)CC3)cc1 33088995 OPBJFJHJMCBSHN-UHFFFAOYSA-N 441.281 3.749 0 40 IHAB CCn1c(SCC(=O)N(C)c2ccccc2)nc2c3cc(OC)ccc3n(C)c2c1=O 33287536 VGRHGAQYVUUOOM-UHFFFAOYSA-N 436.537 3.672 0 40 IHAB COc1ccc(-c2nn3c(c2C)N=C(O)C[C@H]3C(=O)Nc2cccc(NC(C)=O)c2)cc1 35684878 VFYDFSZVGCAJPU-IBGZPJMESA-N 433.468 3.997 0 40 IHAB Cc1cc(C(=O)NC[C@H](C)Cn2nc(C)cc2C)c2c(C)nn(Cc3ccccc3)c2n1 36616694 HZDZGYTXFSAXEQ-INIZCTEOSA-N 430.556 3.976 0 40 IHAB COc1ccc(NC(=O)c2nnc(COC(=O)c3csc(-c4ccco4)n3)s2)cc1 40071866 FEDBUIAQRKLWLS-UHFFFAOYSA-N 442.478 3.873 0 40 IHAB O=C(NCc1ccc(Cl)cc1)[C@H](NS(=O)(=O)c1ccc(F)cc1)c1ccccc1 40149832 GQGQQWYRTQYQDH-HXUWFJFHSA-N 432.904 3.815 0 40 IHAB C[C@@H](NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2ccccc2O1)c1ccc(C(C)(C)C)cc1 44906168 SZHJSTVQIPWRNS-IERDGZPVSA-N 430.570 3.779 0 40 IHAB CCN(CC)Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1 44946458 BCBYSURPHPVVEI-SFHVURJKSA-N 435.615 3.629 0 40 IHAB O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccc(Cn2nnc3ccccc32)cc1 45570116 XGZXISGHIPZWNC-UHFFFAOYSA-N 425.492 3.968 0 40 IHAB CCc1ccc(-c2nn(CC)c(=O)c3c2CCCC3)cc1S(=O)(=O)N1CCCC[C@@H]1C 46027715 FNTIDUSAQWPQOT-KRWDZBQOSA-N 443.613 3.935 0 40 IHAB CCOC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O 70698548 FPDXMWHJGOCDQJ-HZAMXZRMSA-N 436.633 3.927 0 40 IHAB biogenic,in-vitro CC[C@](C)(CCCNC(=O)[C@H]1CCCN(C(=O)Nc2cccc(C)c2)C1)C1OCCO1 72306339 BHLGMVGAYDXUOD-YADARESESA-N 431.577 3.925 0 40 IHAB Cc1nc(C)c(CC(=O)N2CCC[C@H](c3n[nH]cc3C(=O)N(C)C3CCCCC3)C2)s1 72344781 KBQYKQSSYRUBCP-KRWDZBQOSA-N 443.617 3.836 0 40 IHAB COCCNC(=O)c1sc2ccccc2c1[C@@H]1CCN(Cc2cccnc2N(C)C)C1 72352309 AXUQSGFJFQWRLM-QGZVFWFLSA-N 438.597 3.728 0 40 IHAB O=C(CCCN1CCCC1=O)NC1CCN(CC2(c3ccc(F)cc3)CCCC2)CC1 72393519 ODKOMYQHGDKZDW-UHFFFAOYSA-N 429.580 3.621 0 40 IHAB CCC[C@H]1CCc2ccccc2N1CC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC 79106873 CWTYBWFALWEASO-SFHVURJKSA-N 445.585 3.506 0 40 IHAB Cc1ccc(CN2CCCN(C(=O)c3cc(Cn4ccc(C(F)(F)F)n4)on3)CC2)cc1 89632321 ANRVUNQARNZHTC-UHFFFAOYSA-N 447.461 3.595 0 40 IHAB Cc1c(Cc2ccc(=O)n(Cc3ccc(F)cc3F)n2)c2cc(F)ccc2n1CC(=O)O 95558936 ZTPOWDSDKMQVBU-UHFFFAOYSA-N 441.409 3.647 0 40 IHAB CC1(OC(=O)C(=O)OC2(C)CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N(O)C(C)(C)C1 96068504 YNXSLWNXTQQHDB-UHFFFAOYSA-N 428.570 3.675 0 40 IHAB CSCC[C@H](NC(=O)Cc1c(C)n[nH]c1-c1ccc(F)cc1)c1nnc2ccccn12 96117276 QWJWKJAZSGZWKO-SFHVURJKSA-N 438.532 3.720 0 40 IHAB COc1cccc2c1O[C@@]1(C)C[C@H]2[C@@H](S(=O)(=O)c2ccc(C(C)(C)C)cc2)C(=O)N1 102025680 XOEQTQOCTHJMCX-LLBVYWAGSA-N 429.538 3.547 0 40 IHAB CCn1c(SCC(=O)Nc2nc(C)cs2)nnc1[C@H](C)NC(=O)c1ccccc1C 107946066 OLMRJBWPCCRVGM-AWEZNQCLSA-N 444.586 3.593 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccccc2)cc1 139030044 DQAGXWCXDRUTPN-UHFFFAOYSA-N 426.469 3.544 0 40 IHAB COc1ccc(CCCNC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)cc1 218798352 TXRXDUBXTFWKNR-UHFFFAOYSA-N 444.578 3.944 0 40 IHAB COc1ccc(CCCNC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 220006415 ALNWKRHEFFOCBP-UHFFFAOYSA-N 430.570 3.623 0 40 IHAB CC[C@@H](C(=O)n1cc(C(=O)OC)c2ccccc21)N(c1ccc(Cl)cc1)S(C)(=O)=O 222612869 WLMGHMRZKQVVGP-SFHVURJKSA-N 448.928 3.966 0 40 IHAB CCOc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)cc1 223279969 RLPIIBPRDLKKFZ-DHIUTWEWSA-N 435.597 3.805 0 40 IHAB CC(C)OCCCNC(=O)CSc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 223396027 UKEVYLQIYYGVDG-UHFFFAOYSA-N 436.599 3.535 0 40 IHAB CC[C@@H](C(=O)NCCOc1ccccc1C(C)C)N(c1ccc(C)cc1)S(C)(=O)=O 223783835 YVEFRCCZIDBZQV-NRFANRHFSA-N 432.586 3.858 0 40 IHAB Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3ccccc3)CC2)c1 223937159 PTRSPTLYXCNNTC-UHFFFAOYSA-N 449.576 3.754 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3cccc(F)c3)cc2C)cc1 224091627 AMWNCWYEJFKXPC-UHFFFAOYSA-N 428.485 3.874 0 40 IHAB COc1ccc(OC[C@H](C)NC(=O)/C(=C/c2ccco2)NC(=O)c2ccc(C)cc2)cc1 224641936 OCTXEZJDJOJRLJ-JYBCESJWSA-N 434.492 3.951 0 40 IHAB CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C 225554039 KZOSMHJIQLLUAY-PKTZIBPZSA-N 433.581 3.984 0 40 IHAB Cc1ccc(Cl)cc1N1CCN(C(=O)Cn2ccc(=O)c3ccc(Cl)cc32)CC1 225736185 XYKKFPZUQGFHHE-UHFFFAOYSA-N 430.335 3.966 0 40 IHAB O=C(/C=C/c1ccc(Br)cc1)NC1CCN(c2ncnc3c2CCCC3)CC1 253395642 CAXMCTGYWWWQOI-JXMROGBWSA-N 441.373 3.916 0 40 IHAB NC(=O)C[C@]1(COc2cccc(Cl)c2)CCCN(C(=O)CCc2ccccc2F)C1 257317948 VLVRTUGTQSRSHJ-HSZRJFAPSA-N 432.923 3.975 0 40 IHAB CCOc1cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)ccc1OCC(=O)OC 408782084 HAHWBJLJDFRYSS-JPFXZVHCSA-N 442.537 3.799 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCc3ccccc3C2)Cc2ccccc2)cc1 409003100 DIJHKGMLMBEYIC-UHFFFAOYSA-N 434.561 3.771 0 40 IHAB CCOc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1 409061171 XQUSNTQFAPMSPS-JPSPSYKNSA-O 448.930 3.755 0 40 IHAB COC(=O)Cn1cc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)c2ccccc21 409136251 YBNBLTIYWNRUFN-MOSHPQCFSA-N 436.489 3.930 0 40 IHAB CN(C)C(=O)C[C@H]1CN(C(=O)CCCc2ccc3c(c2)CC(=O)N3)c2ccc(Cl)cc21 525756231 ZDWXLLSJGWYCAV-KRWDZBQOSA-N 439.943 3.766 0 40 IHAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCC(N(C)CC(=O)O)CC2)cc1C 574346710 VIQLUNIOYRPUKD-UHFFFAOYSA-N 446.551 3.777 0 40 IHAB C[C@@H]1CN(C(=O)CN2CCCCCOc3ccccc3Oc3ncccc3C2)C[C@@H](C)O1 643576088 VRQMYNZCFOXKMQ-WOJBJXKFSA-N 439.556 3.874 0 40 IHAB CC(=O)N1CCCCCCCN(C(C)C)Cc2cc(C(=O)NCCc3cnc[nH]3)ccc21 643578737 OQUBSKVLCYLFDY-UHFFFAOYSA-N 439.604 3.910 0 40 IHAB Oc1cc(C(F)F)nc(N2CCN(c3nc4ccc(Br)cc4s3)CC2)n1 1888909597 JJVLSATWIGNYFG-UHFFFAOYSA-N 442.289 3.819 0 40 IHAB CCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N2CCOCC2)c2ccccc12 3009705 HZWRUIGSHKXAGG-NKFKGCMQSA-N 430.504 3.868 0 40 IHAB C[C@H](CCc1ccccc1)NC(=O)COC(=O)c1ccc(I)cc1 3265281 MTWIJXGLVBJNSD-CQSZACIVSA-N 437.277 3.586 0 40 IHAB CCOC(=O)CCCNC(=O)CSc1nn(-c2ccc(Cl)cc2)c(=S)s1 3308668 HBYWOKRDDMUGPX-UHFFFAOYSA-N 431.992 3.868 0 40 IHAB COc1ccc(-c2nnc(SCC(=O)N3CC(=O)Nc4ccccc43)n2C(C)C)cc1 3481632 NCZORXAOHHWSNF-UHFFFAOYSA-N 437.525 3.612 0 40 IHAB COc1ccc(-c2noc(CN(C)C(=O)COc3cc(C)cc(C)c3C)n2)cc1OC 4998624 XBUZKFGENZSXBQ-UHFFFAOYSA-N 425.485 3.716 0 40 IHAB CNC(=S)N(CCc1ccc(OC)c(OC)c1)Cc1cc2c(C)cc(C)cc2[nH]c1=O 8829057 PUMAZULXMANVGK-UHFFFAOYSA-N 439.581 3.711 0 40 IHAB COc1ccccc1Oc1c(C)oc2cc(OCC(=O)NCc3ccccn3)ccc2c1=O 8991028 GPKJCUHFQRWERU-UHFFFAOYSA-N 446.459 3.993 0 40 IHAB C=C(/C=C(\NC(=O)c1ccccc1)C(=O)N1CCN(c2ccccc2F)CC1)O/C=C\C 8994474 UMVZSVYBZUWHCF-SGBZLGKCSA-N 435.499 3.852 0 40 IHAB COC(=O)c1cc(NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc(C(=O)OC)c1 9063445 HDNLLYBUOLYXMY-UHFFFAOYSA-N 444.915 3.764 0 40 IHAB CC[C@@H](C)[C@H](C(=O)OCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)c1ccccc1 9098061 XSQNKPKEZXPVJJ-VGSWGCGISA-N 435.524 3.796 0 40 IHAB CC(=O)c1ccc(N2CCN(C(=O)CSc3nccn3-c3ccccc3C)CC2)cc1 9218904 ZPRJGYXMOIIQLG-UHFFFAOYSA-N 434.565 3.824 0 40 IHAB COc1ccc(-c2cc(C(=O)NC[C@@H](O)COCc3ccco3)c3ccccc3n2)cc1 9483564 VEWPYDSRUGMUOW-GOSISDBHSA-N 432.476 3.811 0 40 IHAB O=C(NC1CCCCCC1)c1cn(C[C@@H]2CCCO2)cc2c(=O)n(-c3ccccc3)nc1-2 9663314 UUFUAERCODJJDI-FQEVSTJZSA-N 434.540 3.770 0 40 IHAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)/C=C/c1cccc(C(F)(F)F)c1 9671729 MZLCLDZKOPFNJA-RMKNXTFCSA-N 434.414 3.977 0 40 IHAB COc1ccc2cc(CNC(=O)CNC(=O)c3cccc(Br)c3)ccc2c1 9874487 NOBFTGTUCDSFSU-UHFFFAOYSA-N 427.298 3.657 0 40 IHAB O=C(N[C@H](c1ccccc1)C1CC1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 9875296 GBGVQICPAPMGEY-HXUWFJFHSA-N 433.961 3.507 0 40 IHAB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2cccc(Br)c2)n2nnnc2N1 9942130 UVXPHCYRFZENJK-GOSISDBHSA-N 439.317 3.980 0 40 IHAB COc1ccc(OC)c2sc(N3CCN(C(=O)Cc4ccc(Cl)s4)CC3)nc12 10061315 KHSYJSSOZRTCCR-UHFFFAOYSA-N 437.974 3.920 0 40 IHAB CCN1C(=O)c2cccc3c(NC(=O)c4ccc(S(=O)(=O)N(C)C5CC5)cc4)ccc1c23 10099429 ALKMNOJRABIMAC-UHFFFAOYSA-N 449.532 3.855 0 40 IHAB Cc1ccc(C(=O)NCCCN2CCC(C)CC2)cc1S(=O)(=O)Nc1ccccc1 10112520 IJYPFVIDZDGUCS-UHFFFAOYSA-N 429.586 3.648 0 40 IHAB C[C@H](NC(=O)c1ccccc1NC(=O)c1cccc(NS(C)(=O)=O)c1)c1ccccc1 10314959 BKXLYRMVQKMSSD-INIZCTEOSA-N 437.521 3.801 0 40 IHAB CSCC[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 12557455 WXIDZAJCTGYTRL-QHAWAJNXSA-N 443.613 3.912 0 40 IHAB O=C(O)CCc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)cc1 12560455 PMMIZSLCZZEUAY-UHFFFAOYSA-N 439.415 3.709 0 40 IHAB C[C@H](Sc1nnc(S[C@H](C)C(=O)NC2CCCC2)s1)C(=O)NC1CCCC1 12694847 URDAPOXQVLIYIK-TXEJJXNPSA-N 428.649 3.617 0 40 IHAB CC1CCN([C@@H](CNC(=O)COc2cccc(N3CCCC3=O)c2)c2cccs2)CC1 12738862 CKIHOLNTCIHJNI-NRFANRHFSA-N 441.597 3.843 0 40 IHAB Cc1cccc(OCC(=O)Nc2sc3c(c2C(=O)N2CCOCC2)CCCC3)c1C 12747669 KGCRLENVZSNRFQ-UHFFFAOYSA-N 428.554 3.734 0 40 IHAB COc1ccc(COC[C@H](O)Cn2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 12772992 JAIIBSITPMLBOS-HXUWFJFHSA-N 434.467 3.789 0 40 IHAB CN(CC(=O)Nc1cccc(F)c1)C(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 12884530 QZPCJVMWGJNBMR-UHFFFAOYSA-N 438.356 3.880 0 40 IHAB Cc1nn(CC(=O)c2cc(C)n(C3CC3)c2C)c(C)c1S(=O)(=O)N(C)Cc1ccco1 12979564 AZRMAQJRCKSIRP-UHFFFAOYSA-N 444.557 3.550 0 40 IHAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 13072506 MROKLWVYFRNZAJ-INIZCTEOSA-N 440.927 3.713 0 40 IHAB O=C(CSc1nnc(NCc2ccco2)s1)Nc1ccc(N2CCCC2=O)cc1 13128185 OAFPNOJDTMYLGI-UHFFFAOYSA-N 429.527 3.601 0 40 IHAB COc1ccc([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C3=C2C(=O)OC3)c(OC)c1OC 13567563 WZEFBCDWJMMJER-HNNXBMFYSA-N 429.856 3.697 0 40 IHAB CCN(CC)C(=O)CSc1nc(O)c(Cc2ccccc2)c(=O)n1-c1ccccc1C 13635554 XGDMUUDFQBEONL-UHFFFAOYSA-N 437.565 3.798 0 40 IHAB Cc1cc(C(=O)NCCCN2CCCCCC2)ccc1NS(=O)(=O)c1ccccc1 13668976 UKBAEWPERBWWJK-UHFFFAOYSA-N 429.586 3.792 0 40 IHAB CC(C)CCN1C(=O)c2ccc(C(=O)N3CCC[C@@H](C(=O)Nc4ccccc4)C3)cc2C1=O 14241599 FVQUWHYMPYKKCY-LJQANCHMSA-N 447.535 3.820 0 40 IHAB CN(Cc1cnn(Cc2ccccc2)c1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 14247657 YJIPNPZSFBRJHI-UHFFFAOYSA-N 425.432 3.651 0 40 IHAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc4c3CCCC4)cc2)C[C@H](C)O1 15302653 GEZXTIOQBJBJPO-IRXDYDNUSA-N 428.554 3.616 0 40 IHAB COc1ccc(Cl)cc1NC(=O)CN(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1 16084003 SCDXWYJZEVBTJN-UHFFFAOYSA-N 436.839 3.627 0 40 IHAB Cc1ccc2oc(C(=O)N3CCC[C@H]3c3nc4c(c(=O)[nH]3)CCN(C(C)C)C4)c(C)c2c1 19220392 OUWWXDZVPLXEGN-FQEVSTJZSA-N 434.540 3.877 0 40 IHAB O=C1NCCN(C(=O)c2ccc3oc(O)nc3c2)C[C@@H]1Cc1cccc(-c2ccccc2)c1 19374227 LHJQUVSPEKIGLV-NRFANRHFSA-N 441.487 3.631 0 40 IHAB CCCC(=O)N1CCO[C@](Cc2ccccc2-c2ccc(F)cc2)(C(=O)NC(C)C)C1 19501508 SSMOMQDBDKSZOM-VWLOTQADSA-N 426.532 3.958 0 40 IHAB CNc1cc([C@@H]2CCCN(C(=O)Cc3cc(OC)ccc3OC)C2)nc(-c2cccnc2)n1 19592163 PGJMGDIPEVDQCS-GOSISDBHSA-N 447.539 3.546 0 40 IHAB Cc1ncsc1C(=O)N1CCC(c2nc(C)c3c(n2)N(Cc2ccccn2)CCC3)CC1 19706687 IXOJRXKIWYGZCJ-UHFFFAOYSA-N 448.596 3.918 0 40 IHAB CC(=O)c1ccc(OCc2cc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)no2)cc1 19743600 GYTCELVNQOGIIL-VMPITWQZSA-N 445.519 3.927 0 40 IHAB O=C(Cn1cc(C(=O)NC2(c3ccccc3)CCCC2)ccc1=O)NCc1ccc(F)cc1 19749352 NFQDQTZTRDCJJV-UHFFFAOYSA-N 447.510 3.503 0 40 IHAB CN(C)C(=O)c1ccc(C2CCN(Cc3ccc(OCc4ccccn4)cc3)CC2)nc1N 19765751 RZLMRWLKJZXCTG-UHFFFAOYSA-N 445.567 3.719 0 40 IHAB CCCCOc1ccc(N2C(=O)C[C@H](N(C)CCc3ccc(OC)c(OC)c3)C2=O)cc1 19867624 HMJURTSAHKMSOC-NRFANRHFSA-N 440.540 3.689 0 40 IHAB O=C(CCS[C@@H]1CCc2ccccc2NC1=O)NC1CCN(Cc2ccccc2)CC1 20718295 HUWCNQGMJITWDY-HSZRJFAPSA-N 437.609 3.844 0 40 IHAB COc1cc2c(cc1OC)-c1c(c(C(=O)NCc3cccnc3)nn1-c1ccccc1)C2 20724400 SWPNDYVJNJVQCR-UHFFFAOYSA-N 426.476 3.786 0 40 IHAB CNc1snc(C)c1C(=O)OCC(=O)N(C)[C@@]1(c2ccccc2Cl)CCCCC1=O 21761901 XQJWDDWDODRYCH-OAQYLSRUSA-N 449.960 3.800 0 40 IHAB CCc1nn2c(=O)cc(CSc3nc4ccccc4c(=O)n3C3CCCC3)nc2s1 22038832 XBRLEUNXWGQQPG-UHFFFAOYSA-N 439.566 3.831 0 40 IHAB Cc1ccc(OC[C@@H](C)NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 22342528 RYUFLUVANRFPDR-CQSZACIVSA-N 445.368 3.652 0 40 IHAB COc1cccc(N(CC(=O)N[C@@H](C)c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1 22428625 UQCHNAXFEVVDPR-KRWDZBQOSA-N 442.512 3.907 0 40 IHAB O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)Nc1ccc2c(c1)OC1(CCCCC1)O2 22703964 YSNNHENRJTWWQH-UHFFFAOYSA-N 449.507 3.614 0 40 IHAB COc1ccc(CNC(=O)N2CCN(Cc3nc(-c4ccc(F)cc4)cs3)CC2)cc1 23145140 SOACEQJYOMKNIV-UHFFFAOYSA-N 440.544 3.985 0 40 IHAB COc1ccc([C@H](CNS(=O)(=O)c2ccc(Br)cc2)N2CCCC2)cc1 23994179 IZAKVMYVZZRKJJ-IBGZPJMESA-N 439.375 3.573 0 40 IHAB O=C(COc1ccccc1C(=O)N1CCOCC1)Nc1ccc(Cl)c(C(F)(F)F)c1 24438341 XHJIZEFQDNQFSE-UHFFFAOYSA-N 442.821 3.849 0 40 IHAB CCc1cccc(N2C[C@H](C(=O)Nc3ccccc3I)CC2=O)c1 24758617 XGDWLLFKVPRKJI-CQSZACIVSA-N 434.277 3.845 0 40 IHAB O=C(NC[C@H](c1cccs1)N1CCCC1)C1CCN(C(=O)c2ccc(F)cc2F)CC1 25384155 CZWNMUFNCXVQNO-HXUWFJFHSA-N 447.551 3.832 0 40 IHAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 25466300 XRBPZTFUJIEHBI-DEOSSOPVSA-N 432.545 3.973 0 40 IHAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)CNc1ccc(Br)cc1Cl 25902789 XWCFCSUOQYTMJK-UHFFFAOYSA-N 428.689 3.751 0 40 IHAB Cc1sc2ncnc(N3CCC(C(=O)Nc4ccc(C(N)=O)c(Cl)c4)CC3)c2c1C 31954335 BZYWQUZWPMKFDC-UHFFFAOYSA-N 443.960 3.916 0 40 IHAB COCCCn1c(C(=O)Nc2cc(C)ccc2OC)cc2c(=O)n3cccc(C)c3nc21 33554565 WUCHPPURWDLEDZ-UHFFFAOYSA-N 434.496 3.563 0 40 IHAB COc1ccc2c(c1)c([C@@H](C(=O)O)N1CCC(Cc3ccccc3)CC1)cn2CC(=O)O 36357877 FHYLDQBNRPHBAU-DEOSSOPVSA-N 436.508 3.815 0 40 IHAB COc1cccc2cc(C(=O)Nc3ccc(CC(=O)NCc4cccs4)cc3)c(=O)oc12 38678491 VPACVPXFKCZYTL-UHFFFAOYSA-N 448.500 3.974 0 40 IHAB CCOc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)O)c4ccccc34)N(C)C2=S)cc1 39556346 SZDAGMXZHNQXPP-NDENLUEZSA-N 435.505 3.729 0 40 IHAB O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)[C@@H]1CCCN(C(=O)c2ccoc2)C1 40059869 AGPFQNPLNMRZKS-CQSZACIVSA-N 432.402 3.975 0 40 IHAB O=C1C[C@H](C(=O)Nc2ccccc2Cl)c2c(nc(Nc3cccc(Cl)c3)[nH]c2=O)N1 40399384 XGXUWMGZMMPFFO-LBPRGKRZSA-N 444.278 3.885 0 40 IHAB Cc1ccc2c(c1)c1nc(C3CC3)nn1c(=O)n2CC(=O)Nc1cccc(C(F)(F)F)c1 48362381 NRSHUBQYJPRFBH-UHFFFAOYSA-N 441.413 3.888 0 40 IHAB O=C(CCC1CCCC1)NC1CCN(C(=O)c2cn(-c3ccc(Cl)cc3)nn2)CC1 49406242 ZQPLONFPSFGWGE-UHFFFAOYSA-N 429.952 3.612 0 40 IHAB CCOC(=O)c1ccc(N2CCN(C(=O)[C@H](Sc3ccccc3)C(C)C)CC2)nc1 58296554 REVCFADTKSOEFY-OAQYLSRUSA-N 427.570 3.724 0 40 IHAB CN1CCN(C(=O)CSc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)CC1 58960043 IKCHBXSMTSFYAA-UHFFFAOYSA-N 430.883 3.682 0 40 IHAB Cc1nc(-c2cccc(F)c2)n(CC(=O)Nc2ccc(C(F)(F)F)cc2)c(=O)c1CCO 67316877 KYJZDDLCWXRNMJ-UHFFFAOYSA-N 449.404 3.550 0 40 IHAB COc1ccc(Cl)cc1NC(=O)Cn1nnc(C(=O)Nc2c(C)cccc2C)c1C 67322175 NSJNXJANNQVQNC-UHFFFAOYSA-N 427.892 3.756 0 40 IHAB C[C@H]1CSc2ccc(Br)cc2[C@@H]1NCC(=O)Nc1ccccc1C(N)=O 95995954 BFLSPJCRCZULNB-BBATYDOGSA-N 434.359 3.559 0 40 IHAB O=C(Nc1ccccc1-c1ccccc1)C1CCN(c2cc(-n3cncn3)ncn2)CC1 96105223 AMLPCQARWVDORA-UHFFFAOYSA-N 425.496 3.579 0 40 IHAB COC(=O)[C@H]1Oc2cc(C)oc(=O)c2[C@H]1c1ccc(OC)c(OCc2cccc(F)c2)c1 96335789 BJGGZUGHBCPIOT-IRLDBZIGSA-N 440.423 3.741 0 40 IHAB O=C(COc1ccccc1)NC[C@H]1CC[C@H](c2ccnc3nc(C(F)(F)F)nn32)CC1 100158941 PCGBDYNJONBPEO-GASCZTMLSA-N 433.434 3.612 0 40 IHAB CC(C)C(=O)N1CCc2c(nc3cc([C@H]4CCCN4CC4CCCCC4)nn3c2O)C1 100234324 BLEMKJPUEAWTLH-OAQYLSRUSA-N 425.577 3.693 0 40 IHAB O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)NC[C@H]1CC[C@H](C(=O)O)CC1 100763412 CSVNPYRZUMFKON-MAEOIBBWSA-N 435.476 3.846 0 40 IHAB Cc1cccc2s/c(=N/C(=O)c3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc3)n(C)c12 100821273 AAXIONRUQSSFGN-LSJZCYCUSA-N 443.594 3.852 0 40 IHAB COc1ccc2c(c1)[C@H]1C[C@](C)(O2)N(C)C(=O)[C@H]1S(=O)(=O)c1ccc(C(C)(C)C)cc1 100893743 OIZIOMXXIWTNIG-IZIIKQMZSA-N 443.565 3.890 0 40 IHAB C[C@H](NC(=O)[C@@H](C)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O)c1ccc(F)cc1 220203665 WVERNXLTILBZAH-QWHCGFSZSA-N 432.439 3.876 0 40 IHAB CN(c1cccc(C(=O)NCCSCc2ccco2)c1)S(=O)(=O)c1ccccc1 222531446 QLXKFKXFHMYFTN-UHFFFAOYSA-N 430.551 3.768 0 40 IHAB COc1ccc(CN(C(=O)CCc2ccc3c(c2)OCO3)[C@@H](C)C(=O)NC(C)(C)C)cc1 223090063 VJADSUDMWQDSPI-KRWDZBQOSA-N 440.540 3.689 0 40 IHAB COC(=O)c1cccc(S(=O)(=O)N(C)Cc2nc(-c3ccc(C(C)(C)C)cc3)no2)c1 223613767 XIQUYSOZZKDZEQ-UHFFFAOYSA-N 443.525 3.641 0 40 IHAB COc1cccc(CN(C)S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCCC3)c2)c1 223875920 XNMPBOHYMOZGQB-UHFFFAOYSA-N 446.569 3.541 0 40 IHAB Cc1ccc(OCCNC(=O)[C@@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1C 224045799 JDFPVTRRJFFPIJ-QGZVFWFLSA-N 438.977 3.615 0 40 IHAB Cc1ccc(OCCNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc1C 224104091 WLNUEHYZXZKLJU-UHFFFAOYSA-N 436.961 3.550 0 40 IHAB CC(C)c1ccc(N(CCCC(=O)NCCOCc2ccccc2)S(C)(=O)=O)cc1 224664974 QMDIDTKWAZTOCO-UHFFFAOYSA-N 432.586 3.689 0 40 IHAB COc1ccc(-c2nnc(NS(=O)(=O)Cc3ccc(Br)cc3)s2)cc1 225486400 MPMIUXZKVNVCME-UHFFFAOYSA-N 440.344 3.918 0 40 IHAB CN(Cc1ccccc1F)C(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1 226007408 KZDWSQXSWAOGLF-UHFFFAOYSA-N 444.503 3.814 0 40 IHAB Cc1ncsc1C(=O)N1CCO[C@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 257254658 KEDAXRDVLNJYJE-SFHVURJKSA-N 432.933 3.663 0 40 IHAB C[C@]1(O)C[C@@H](c2ccccc2)C[C@H](O)CCC[C@@H]1CNC(=O)c1cccc(C(=O)O)c1 257298135 RKISPMOEFOYNGY-OUMCCJGNSA-N 425.525 3.591 0 40 IHAB O=C1CO[C@@]2(CCN(C(=O)C3(c4ccc(F)cc4)CCCC3)C2)CN1c1ccc(F)cc1 257319129 VQXFZYVGZZDLIH-XMMPIXPASA-N 440.490 3.811 0 40 IHAB Cc1cc(Nc2nncs2)cc([C@H]2CN(C(=O)CCOc3ccccc3C)CCO2)n1 257338231 YWMWQLZGDBFHBA-HXUWFJFHSA-N 439.541 3.663 0 40 IHAB Cc1nc([C@H]2CCN(C(=O)c3cc(C4CC4)on3)C2)nc2c1CCC(=O)N2CCC(C)C 257339613 ZCMUNAAJKANQQK-KRWDZBQOSA-N 437.544 3.605 0 40 IHAB COc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2c(C)cccc2C)C1 408672356 VYBYUVOOIWTHEC-OAHLLOKOSA-N 430.888 3.500 0 40 IHAB Cc1cccc(N2C[C@H](C(=O)Nc3ccc(C(=O)Nn4c(C)ccc4C)cc3)CC2=O)c1 408687814 VDSBOTYXHFZNPN-HXUWFJFHSA-N 430.508 3.789 0 40 IHAB CCOc1ccc(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCC(C)CC3)c2)cc1 408705888 POFJSAROFLHTGN-UHFFFAOYSA-N 432.542 3.767 0 40 IHAB CC[C@H](C)Oc1c(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cccc1OC 409023302 XEIXKRAVPNPREO-HUCUOGIVSA-N 437.496 3.712 0 40 IHAB COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cccc(OC)c1OC 409055968 FQNOTEUDODXMRQ-WJDWOHSUSA-N 446.912 3.505 0 40 IHAB CC(C)[C@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)N[C@H]2CCCC[C@H]2C)n1C 409160433 WZWIPNDPGJLQMF-KPFFTGBYSA-N 443.617 3.729 0 40 IHAB O=C(c1ccc(C(F)(F)F)cc1N1CCCC1)N1CCS(=O)(=O)C2(CCCCC2)C1 552326632 ALCNSVRAQZFZNS-UHFFFAOYSA-N 444.519 3.879 0 40 IHAB O=C(c1ccccc1)N1CC[C@@H](C(=O)N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)C1 1521024658 UHRRCJPQMNECPP-UYAOXDASSA-N 432.442 3.768 0 40 IHAB O=C1CC2(CCN(C(=O)c3ccnc(C(F)(F)F)c3)CC2)CN1Cc1cccc(F)c1 2055793556 SPOSREOEFKKGAI-UHFFFAOYSA-N 435.421 3.894 0 40 IHAB O=C(Nc1nc(-c2ccccc2)cc(C(F)(F)F)n1)NS(=O)(=O)c1ccccc1F 1074984 UIUINKNEPBRXKH-UHFFFAOYSA-N 440.378 3.812 0 40 IHAB O=C(NC(=S)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1ccccc1 1105209 KECKWOOZPOTOON-UHFFFAOYSA-N 444.560 3.776 0 40 IHAB Cc1cc(Br)ccc1NC(=O)CSc1nnc(-c2ccccc2C)n1N 2265192 KEBQKYVBNBABPY-UHFFFAOYSA-N 432.347 3.769 0 40 IHAB COc1ccc(-c2csc3ncnc(OCC(=O)Nc4cc(C)on4)c23)cc1OC 2621798 LLMDJYOHNXRANS-UHFFFAOYSA-N 426.454 3.689 0 40 IHAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)c2c(NC(C)=O)sc3c2CCCC3)cc1 2653325 QWOFZEOIPDRLLV-GFCCVEGCSA-N 443.525 3.728 0 40 IHAB COc1ccc(NC(=O)COC(=O)c2ccc(OCc3c(C)noc3C)cc2)cc1OC 3332150 YUVBJPSARHNILB-UHFFFAOYSA-N 440.452 3.683 0 40 IHAB CC(C)NS(=O)(=O)c1ccc(Br)c(C(=O)OCc2ccccc2F)c1 3379885 PRYFNLVUFMBPDT-UHFFFAOYSA-N 430.295 3.632 0 40 IHAB CCOC(=O)c1c(NC(=O)COC(=O)[C@]2(C)CC2(Cl)Cl)sc(C(C)=O)c1C 3502024 ZOEDHONQCLGKSJ-INIZCTEOSA-N 436.313 3.501 0 40 IHAB O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1C(=O)C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 5663393 BQGRZAMFLVOAEU-CYBMUJFWSA-N 446.073 3.997 0 40 IHAB Cc1ccc([C@@H](C)N2c3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCC[C@@H]32)cc1 6831097 CKBLYSLKUICESQ-JPYJTQIMSA-N 427.570 3.523 0 40 IHAB COC(=O)c1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2cccnc2)cc1 8606647 JULGHYQWDPICJG-HSZRJFAPSA-N 440.459 3.709 0 40 IHAB CCn1c(SCC(=O)Nc2cc(Cl)ccc2-n2cncn2)nnc1-c1ccco1 9056516 PGSVQIAETYQUSU-UHFFFAOYSA-N 429.893 3.523 0 40 IHAB O=C(Nc1nc2c(s1)CCC2)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 9257276 JCRFCDVSENXXGF-UHFFFAOYSA-N 425.535 3.636 0 40 IHAB C[C@@H](CCc1ccccc1)NC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccccc1F 9317912 GNVSDWDEHAQREK-SFHVURJKSA-N 444.528 3.747 0 40 IHAB CCOc1ccc(-c2nnc3ccc(SCC(=O)Nc4ccc5c(c4)OCO5)nn23)cc1 9415276 XFBJOVBJCUTBKN-UHFFFAOYSA-N 449.492 3.650 0 40 IHAB CCOc1ccc(-c2nnc3ccc(SCC(=O)NCCc4ccccc4)nn23)cc1 9415312 RGDGQUXAVDSOFE-UHFFFAOYSA-N 433.537 3.641 0 40 IHAB COc1ccccc1-n1nnnc1SCC(=O)Nc1ccc(N2CCCCCC2)cc1 9512663 CVPGZKCESNSOKN-UHFFFAOYSA-N 438.557 3.782 0 40 IHAB O=C(NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1cc2c(s1)CCCC2 9536771 PDHKXIWJUHUISQ-UHFFFAOYSA-N 431.517 3.767 0 40 IHAB CCc1cccc2c(C(=O)CSc3nc4cc(S(N)(=O)=O)ccc4n3CC)c[nH]c12 9644422 VVPJLRORCMBXLE-UHFFFAOYSA-N 442.566 3.722 0 40 IHAB Cc1cc(C)cc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 9664455 IDKZFUYRFQMGNB-UHFFFAOYSA-N 444.553 3.664 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCc3ccccc3C2)Cc2ccco2)cc1C 9799601 OBIBZVNMNUPTNU-UHFFFAOYSA-N 438.549 3.672 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)Nc2ccccc2O3)c(OC)c1 9827906 ZWXAFDYSLRDNCL-UHFFFAOYSA-N 426.450 3.863 0 40 IHAB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)ccc1O 9949188 LXMQIXZWOWPKMK-FRKPEAEDSA-N 436.848 3.868 0 40 IHAB O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)N1CCS[C@@H]1c1ccccc1F 10026969 ANOOTMFEWOOYAG-LJQANCHMSA-N 445.497 3.971 0 40 IHAB COc1cc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc(Cl)c1OCC(N)=O 10372564 LYOHOIDCKHTEAZ-HNNXBMFYSA-N 445.928 3.800 0 40 IHAB O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)N1CC[C@@]2(O)CCCC[C@H]2C1 11867066 GLMODHLCNVGQDF-SIBVEZHUSA-N 433.504 3.992 0 40 IHAB biogenic CCc1ccc(-n2ccc(=O)c(C(=O)Nc3sc4c(c3C(=O)OC)CCCC4)n2)cc1 11914423 MBVPYDULHYJBQQ-UHFFFAOYSA-N 437.521 3.774 0 40 IHAB COc1cc(NS(=O)(=O)c2ccc(Br)c(C)c2)ccc1N1CCCC1=O 12508616 YCUKTOHFTOICFQ-UHFFFAOYSA-N 439.331 3.694 0 40 IHAB O=C1c2ccccc2C(=O)N1CCCC(=O)N(C[C@H]1CCCO1)c1nc2ccccc2s1 12818110 JTCVNYKPLPFRGT-MRXNPFEDSA-N 449.532 3.885 0 40 IHAB CN(CC(=O)Nc1ccccc1Cl)C(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 12911082 WKFFLYGCDAKSEX-UHFFFAOYSA-N 448.350 3.943 0 40 IHAB CC(C)C(=O)Nc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc1 12945926 FCFCTQJZRBBJER-UHFFFAOYSA-N 449.960 3.971 0 40 IHAB Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)NCc1ccc(OC(F)(F)F)cc1 13010710 WUTTXGSQHRPURF-UHFFFAOYSA-N 437.393 3.761 0 40 IHAB COCCn1nnnc1[C@H](c1ccc(C)cc1)N1CCN(c2cc(Cl)ccc2C)CC1 13504223 CWPCNYWTBZTNJL-QFIPXVFZSA-N 440.979 3.501 0 40 IHAB CCN(c1ccc(OCC(=O)Nc2cccc(OC)c2)cc1)S(=O)(=O)c1ccccc1 13584964 VMWIPZSNYDYSOA-UHFFFAOYSA-N 440.521 3.928 0 40 IHAB COc1ccccc1NC(=O)Cn1c(C)nc2c(sc(=S)n2Cc2ccco2)c1=O 13593319 JYNSDVMNGNJRLY-UHFFFAOYSA-N 442.522 3.586 0 40 IHAB Cc1cc(Br)cc(C)c1NC(=O)CSc1nnc(-c2ccccc2)n1N 14406112 DBYXPGQKLVRCOA-UHFFFAOYSA-N 432.347 3.769 0 40 IHAB COc1ccc(C(=O)N2c3ccccc3C[C@@H]2C)cc1S(=O)(=O)N1CCCCCC1 16022928 OHAKBUJFSBOQDB-KRWDZBQOSA-N 428.554 3.851 0 40 IHAB CCOC(=O)C1CCN(CC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)CC1 16476367 SFHHARBCHLQVSG-HXUWFJFHSA-N 443.931 3.886 0 40 IHAB CCN1CCN(c2nc(Nc3cccc(OC)c3)c3cnn(-c4ccccc4)c3n2)CC1 17288716 YKIKBOAGJHUGAR-UHFFFAOYSA-N 429.528 3.710 0 40 IHAB COc1cccc(NC(=O)CN(C)C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)c1 17969168 RMVKEHHZEWNQPC-UHFFFAOYSA-N 441.491 3.654 0 40 IHAB CCNC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CN(C(=O)C2CCCCC2)CCO1 19529232 OCCXZKPDMLEVPA-AREMUKBSSA-N 435.568 3.605 0 40 IHAB COc1cccc(C(=O)N2CCC[C@@](Cc3cccc(-c4cccnc4)c3)(C(N)=O)C2)c1 19564338 XIVLUXSGQVECHJ-SANMLTNESA-N 429.520 3.708 0 40 IHAB COc1ccc(CN2CCC([C@H]3C[C@@H](C(=O)Nc4ccc(OC)cc4)CN3C)CC2)cc1 19587671 LPNRMLKFLUZTBF-PXDATVDWSA-N 437.584 3.875 0 40 IHAB Cc1nonc1CC(=O)N1CCCC[C@H]1c1nc(C)c2c(n1)N(Cc1ccccc1)CCC2 19706265 YJYLTTIGQCBCQC-QFIPXVFZSA-N 446.555 3.726 0 40 IHAB COc1ccccc1NC(=O)c1cnc([C@@H]2CCCCN2C(=O)Cc2ccccn2)nc1C 19755659 RMNQUTJDSNVRFU-NRFANRHFSA-N 445.523 3.737 0 40 IHAB COc1ccc(CCNC(=O)c2cnc3scc(-c4ccc(C)cc4)n3c2=O)cc1OC 20768015 JEKWUYJJCLZPER-UHFFFAOYSA-N 449.532 3.721 0 40 IHAB CCOC(=O)c1c(-c2ccco2)csc1NC(=O)COC(=O)c1ccc(OC)cc1O 22616466 WEVVJEDFGVTDHL-UHFFFAOYSA-N 445.449 3.695 0 40 IHAB Cc1sc2ncn(CCC(=O)NC(=O)NCc3ccccc3)c(=O)c2c1-c1ccccc1 24830839 ZNTGCCISPWSIPL-UHFFFAOYSA-N 446.532 3.850 0 40 IHAB CCCCc1ccc(N2C(=O)C[C@H](N(C)CC(=O)Nc3ccccc3Cl)C2=O)cc1 25059231 XIRPYLUASJBCNR-FQEVSTJZSA-N 427.932 3.885 0 40 IHAB CN(c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1)S(=O)(=O)c1cccs1 26113905 CIDQFZJFSURRLI-UHFFFAOYSA-N 441.578 3.536 0 40 IHAB COc1ccc([C@@H](NC(=O)c2nn(-c3ccccc3)c3c2CCC3)c2nccn2C)cc1 29133546 YIMFDBQDXPEHDF-JOCHJYFZSA-N 427.508 3.623 0 40 IHAB O=c1oc2ccccc2n1CCSc1nnc(-c2cccs2)n1C[C@H]1CCCO1 32777065 PLFSZLHRKKSENI-CQSZACIVSA-N 428.539 3.886 0 40 IHAB O=C(C1=NN(c2ccccc2)[C@H](c2ccccc2)C1)N1CCN(Cc2ccccn2)CC1 32823314 WGOBEFNSQMFDPA-VWLOTQADSA-N 425.536 3.733 0 40 IHAB CCOc1cc([C@H]2C(C(=O)Nc3cc(C)ccc3OC)=C(C)Nc3ncnn32)ccc1O 35507640 ZKTKDQQEFAHHJU-NRFANRHFSA-N 435.484 3.627 0 40 IHAB COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1csc(-c2ccc(C)o2)n1 40090272 LVLCNHJUOHHLEA-UHFFFAOYSA-N 427.482 3.587 0 40 IHAB COc1ccc(-c2n[nH]cc2-c2nc(-c3cc(OC)c(OC)c(OC)c3)no2)cc1OC 49422300 IWKUGUGLBTVAOQ-UHFFFAOYSA-N 438.440 3.837 0 40 IHAB Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc(F)cc3C)c2=O)cc1C 57491271 LDAZITXPFRUJDN-UHFFFAOYSA-N 437.496 3.917 0 40 IHAB COC(=O)C1=C(c2ccc(Cl)cc2)Nc2ncnn2[C@@H]1c1cccc(OC)c1OC 59227939 HDQBUSOMNZLYQM-GOSISDBHSA-N 426.860 3.548 0 40 IHAB COc1ccc(OC)c([C@@H]2CC(=O)Nc3c(C(=O)O)cn(-c4cc(F)cc(F)c4)c32)c1 61719354 DYCFXMOCIBWVEQ-INIZCTEOSA-N 428.391 3.945 0 40 IHAB CCN1CCc2nc(-c3ccccc3)n(CC(=O)Nc3ccc(C)cc3Cl)c(=O)c2C1 62007135 KCPBULAVPXFOAM-UHFFFAOYSA-N 436.943 3.889 0 40 IHAB O=C(Nc1cccc2ncccc12)C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 63228378 LHRUPGUXRURNRO-LJQANCHMSA-N 440.297 3.536 0 40 IHAB COc1cccc(C(=O)NC2CCN(C(=O)c3cc(-c4ccc(C)c(C)c4)n[nH]3)CC2)c1 67245744 ZZVSWXAELMRFJW-UHFFFAOYSA-N 432.524 3.737 0 40 IHAB CS(=O)(=O)c1ccc(N2CCC[C@H]2[C@@H]2CCCc3ccccc32)c(S(C)(=O)=O)c1 72313506 WLCYLHFBMBHPAQ-UXHICEINSA-N 433.595 3.583 0 40 IHAB COc1cc2c(cc1OC)[C@@H]1c3ccccc3N(CC(=O)N3CCCCCC3)C(=O)N1CC2 72342052 GTHLYALFAJLBPL-VWLOTQADSA-N 449.551 3.994 0 40 IHAB CC(=O)Nc1ccc(C(=O)N2CCC[C@H](c3nc(N)ncc3-c3cccc(F)c3)C2)cc1 72346160 DDBNAASVLDZJJD-SFHVURJKSA-N 433.487 3.843 0 40 IHAB CCc1nccn1CCC(=O)N1CCC[C@H]1c1nc(N(C)C)ncc1-c1cccc(OC)c1 72376618 AVDINHSIKPSSHU-NRFANRHFSA-N 448.571 3.731 0 40 IHAB Cc1cc(NC(=O)Cn2ccc(=O)c3ccccc32)n(-c2cccc(Br)c2)n1 84105195 XHSLVADYEPFSKV-UHFFFAOYSA-N 437.297 3.897 0 40 IHAB COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1)[C@@H]1CCSC1 95446683 YUOVSKVBIIHUEM-NVXWUHKLSA-N 435.640 3.941 0 40 IHAB CCCCN(C)S(=O)(=O)c1ccc(NC(=O)CCn2c(=O)sc3ccccc32)cc1 95481773 BDQMSFDIPHKFHY-UHFFFAOYSA-N 447.582 3.512 0 40 IHAB CCOc1cc(/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)ccc1OCC(=O)N(C)C 96019471 VGXZSWXBMOONNE-GZTJUZNOSA-N 428.872 3.550 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 101432500 ICGXGRFWYGNPPV-VKFLQFAXSA-N 446.960 3.794 0 40 IHAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCS[C@H](c3ccccc3Cl)CC2)cc1 208046350 WJZKPGQLRWOWDV-IBGZPJMESA-N 439.002 3.911 0 40 IHAB CC[C@@H](C(=O)NCCCc1ccc(OC)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 219106849 MKMMJXGPVGXBAB-FQEVSTJZSA-N 438.977 3.642 0 40 IHAB CCOC(=O)c1cccc(NC(=O)[C@@H](CC)N(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 219122022 HTNBFHYCMDGZNB-HXUWFJFHSA-N 432.542 3.663 0 40 IHAB C[C@H](C(=O)NCc1ccccn1)N(Cc1ccccc1)C(=O)COc1ccccc1Cl 222726373 MTAFBJFUJOIBHC-GOSISDBHSA-N 437.927 3.848 0 40 IHAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1cccc(C)c1 222882713 JASPNPNDLVKCTJ-RUZDIDTESA-N 446.547 3.769 0 40 IHAB CCNC(=O)c1cc(S(=O)(=O)N[C@@H]2CC(CC)(CC)Oc3ccccc32)ccc1OC 223225922 WRLJHTIBEBCHJM-LJQANCHMSA-N 446.569 3.806 0 40 IHAB COc1cccc(N(CC(=O)NC[C@@H](C)c2ccccc2)S(=O)(=O)c2ccccc2)c1 223486807 PWOHLMSXMQGIEF-LJQANCHMSA-N 438.549 3.810 0 40 IHAB O=S(=O)(NCc1nc(-c2cccc(Cl)c2)no1)c1ccc(Br)cc1 223580472 NARCQEPBNFRXJH-UHFFFAOYSA-N 428.695 3.631 0 40 IHAB CSc1ccc(S(=O)(=O)NCCOc2ccccc2C)cc1C(=O)N1CCCCC1 224321068 GWYWKRXWTUHFOW-UHFFFAOYSA-N 448.610 3.700 0 40 IHAB CS(=O)(=O)N(CCCC(=O)Nc1ccc(N2CCCC2)cc1)c1ccc(F)c(F)c1 224933386 AUQANMOLHFKWMG-UHFFFAOYSA-N 437.512 3.750 0 40 IHAB C[C@@H]1Cc2cc(CN3CCC[C@H]([C@@H](NC(=O)[C@@H]4CCCO4)c4ccccn4)C3)ccc2O1 253594336 YNDJUFYEHGEVFJ-NQGPINQYSA-N 435.568 3.654 0 40 IHAB COc1ccc([C@H]2C[C@@H](NC(=O)[C@@H]3[C@H]4CCCC[C@H]43)CC[C@]23CCC(=O)N3)cc1OC 257202362 ALKUGHVWUPYJMH-PQYFQESKSA-N 426.557 3.541 0 40 IHAB CC(C)c1cc(C(=O)N2CCN(C)C(=O)[C@H]2Cc2ccccc2-c2ccc(F)cc2)[nH]n1 257228501 FUCZKHTVDWZWPM-HSZRJFAPSA-N 434.515 3.865 0 40 IHAB COCCNC(=O)c1sc2ccccc2c1[C@H]1CC[C@H](CNC(=O)c2ccno2)CC1 257301750 RZUYCNRAACJTAQ-WKILWMFISA-N 441.553 3.969 0 40 IHAB C[C@@H]1Cc2cc(CCC(=O)N3CCC(c4cncc(Nc5cnccn5)n4)CC3)ccc2O1 257304889 SNNFWWRWYNGRTE-QGZVFWFLSA-N 444.539 3.672 0 40 IHAB CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1 408561413 SEHMXCXFJYKQGR-UHFFFAOYSA-N 440.924 3.917 0 40 IHAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCCc2ccccc2)C1 408700386 FEZBZKIXWRLNGW-OAQYLSRUSA-N 444.597 3.578 0 40 IHAB C[C@H](NS(=O)(=O)c1cccs1)C(=O)Nc1nc2ccccc2n1C1CCCCC1 524030592 ATPPQUPZFFNFSQ-AWEZNQCLSA-N 432.571 3.909 0 40 IHAB CCCc1cnc(Nc2cccc(C3CCN(S(=O)(=O)c4cn(C)cn4)CC3)n2)s1 585262653 PERLRGTTZFDNRE-UHFFFAOYSA-N 446.602 3.536 0 40 IHAB CC(C)Cn1nc(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)c2ccccc2c1=O 615987999 ZMRSPEQEMMQDGV-JOCHJYFZSA-N 433.508 3.705 0 40 IHAB O=C(NCc1noc([C@@H]2CCC(=O)N2Cc2ccccc2F)n1)Nc1ccc(F)c(F)c1 1775964200 WPTDVLVEDRCIRB-KRWDZBQOSA-N 445.401 3.672 0 40 IHAB biogenic,in-vitro Cc1cnc(Nc2cccc([C@@H]3CN(CC(=O)N4[C@@H](C)CCC[C@H]4C)CCO3)n2)s1 2037834751 KMHUNCYDEWSHMJ-FCEWJHQRSA-N 429.590 3.753 0 40 IHAB CCc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)Nc1ccccc1C 46027658 FJZQKCYTGGLISN-UHFFFAOYSA-N 437.565 3.998 0 40 IHAB O=C(NCCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 800001 RLBUOQRURJFYNI-UHFFFAOYSA-N 441.380 3.753 0 40 IHAB Cc1cc(C)nc(SC2=C(Nc3cccc(O)c3)C(=O)N(Cc3ccccc3)C2=O)n1 1810749 ZVJSCPICRHRLAW-UHFFFAOYSA-N 432.505 3.784 0 40 IHAB O=C(CCN1c2ccccc2Sc2ccccc21)OCn1nnc2ccccc2c1=O 3408350 RRIUALHEFZTYAJ-UHFFFAOYSA-N 430.489 3.985 0 40 IHAB CN(C)c1ccc(NC(=O)CN2[C@H]3CCC[C@H]2CC(NC(=O)C2CCCCC2)C3)cc1 100433593 CFUKWIHZYRSGOW-GOTSBHOMSA-N 426.605 3.773 0 40 IHAB O=C(NCc1ccccc1Cn1cccn1)c1cccc(NS(=O)(=O)c2ccccc2)c1 10235359 VMBSWWJYOBGJNQ-UHFFFAOYSA-N 446.532 3.662 0 40 IHAB CCc1cc(=O)oc2c3c(cc(OCC(=O)NCCCCCC(=O)O)c12)OC(C)(C)CC3 8876280 HZAJZUMCJOZNEL-UHFFFAOYSA-N 445.512 3.599 0 40 IHAB biogenic Cc1nc(CN2CCN(C(=O)COc3ccc4oc5c(c4c3)CCCC5)CC2)cs1 22225622 OAQKWRSCUULWNT-UHFFFAOYSA-N 425.554 3.800 0 40 IHAB CCOC(=O)C1CCN(c2nc3ccc(C(=O)c4ccccc4)cc3n3c(C)nnc23)CC1 9224701 BOLIVUPSQBDTFB-UHFFFAOYSA-N 443.507 3.596 0 40 IHAB CC(C)COC(=O)[C@H]1[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)OCC(C)C)C(=O)C[C@]1(C)O 9318241 PCHLMRSRHSVUTR-AWWSKVOZSA-N 438.948 3.778 0 40 IHAB O=C(Cc1cnc(-c2ccc(OC(F)(F)F)cc2)s1)N1CCN(c2ccccn2)CC1 12391811 MOGHDJGPNFGPHR-UHFFFAOYSA-N 448.470 3.995 0 40 IHAB CCOC(=O)c1ccc(Oc2c(C)oc3c4c(ccc3c2=O)OCN(CCOC)C4)cc1 54313683 OESLJUVOKWQBIX-UHFFFAOYSA-N 439.464 3.869 0 40 IHAB biogenic O=C(NCc1ccco1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 29790341 BKLDFCSIVTZMSR-HNNXBMFYSA-N 437.883 3.855 0 40 IHAB COc1ccc(CN(C(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)C2CC2)cc1 23925554 KLRNKBAIGLLDKE-UHFFFAOYSA-N 430.460 3.889 0 40 IHAB Cc1ccc(NC(=O)CSC(=S)N2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1C 113480650 UDICMINBRYQXPT-IAGOWNOFSA-N 427.595 3.541 0 40 IHAB O=C(Nc1ccccc1N1CCCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 12557892 GZCKOJIHVUGCSK-GOSISDBHSA-N 445.560 3.855 0 40 IHAB Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)N[C@@H]3CCc4ccccc43)c2=O)cc1C 57491318 SKWHZDWVTFTRIQ-HXUWFJFHSA-N 445.544 3.634 0 40 IHAB CC(C)c1ccc(-n2ncc3c(=O)n(CC(=O)NCc4ccccc4Cl)cnc32)cc1 57486537 ALFLSVPMYZWFCW-UHFFFAOYSA-N 435.915 3.675 0 40 IHAB COc1ccccc1-n1cnnc1SCC(=O)N1CCS[C@@H]1c1ccccc1F 12554081 WBSHTXUMOBRURQ-LJQANCHMSA-N 430.530 3.781 0 40 IHAB Cc1cc(C)cc(-n2ccnc2SCC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)c1 16672412 AAZSSPWKYUJBES-UHFFFAOYSA-N 449.580 3.958 0 40 IHAB Cc1c(Cc2ccccc2Cl)c(=O)nc2s/c(=C/c3ccc(Cl)cc3)c(=O)n12 27022591 PZOGVPMEFXPCQA-VCHYOVAHSA-N 429.328 3.870 0 40 IHAB CC1CCN(C(=O)C2CCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)CC2)CC1 26109107 QXHGOLPRTCETKT-UHFFFAOYSA-N 433.401 3.794 0 40 IHAB Cc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(Cc3ccco3)CC(=O)N21 2115924 WKXAEZOMOOQBKK-WIOPSUGQSA-N 425.488 3.954 0 40 IHAB biogenic CS(=O)(=O)Nc1cccc(CNC(=O)c2c(-n3cccc3)sc3c2CCCC3)c1 10548858 LWEMJTPMXQYNOS-UHFFFAOYSA-N 429.567 3.719 0 40 IHAB O=C1c2ccccc2[C@@](O)(c2ccc(Br)cc2)N1Cc1cn2ccccc2n1 36398467 JPXWHGJTGJUJOJ-QFIPXVFZSA-N 434.293 3.946 0 40 IHAB COc1ccc2c(CCNC(=O)CCc3c(C)c4ccc(OC)cc4oc3=O)c[nH]c2c1 12896338 NDOFVWXWCHNJHN-UHFFFAOYSA-N 434.492 3.891 0 40 IHAB biogenic O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)NC(=O)Nc1ccccc1 16775150 BLDZKARMNCQBAX-UHFFFAOYSA-N 430.493 3.770 0 40 IHAB Cc1cc(-n2c(C)cc(C(=O)COC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)c2C)no1 3439783 SROAIYMGFHSFFD-FQEVSTJZSA-N 438.480 3.988 0 40 IHAB Cc1nc2ccc(NC(=O)[C@@H]3CCCCN3C3=NS(=O)(=O)c4ccccc43)cc2s1 13163542 LSBLTNBMZNXXPQ-KRWDZBQOSA-N 440.550 3.547 0 40 IHAB COc1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1OC(=O)c1ccccc1 8383421 IYZMRQHMXFDXQB-STZFKDTASA-N 428.469 3.685 0 40 IHAB CCn1c(SCC(=O)N2CCc3ccccc3C2)nnc1-c1ccc(OC)c(OC)c1 13568943 IDQLFNNFJDVHEF-UHFFFAOYSA-N 438.553 3.659 0 40 IHAB CCOC(=O)c1cc(NC(=O)COc2ccc(C(C)C)cc2)ccc1N1CCOCC1 4710843 XZVUTBUAWXTAHW-UHFFFAOYSA-N 426.513 3.841 0 40 IHAB Cc1c(N[C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)c(=O)n(-c2ccccc2)n1C 69667432 JTGOIVZDIVTFLF-CYBMUJFWSA-N 434.418 3.822 0 40 IHAB COC(=O)CCCCCC[C@H]1[C@@H](O)C[C@@H](O[C@H]2CCCCO2)[C@@H]1COC(C)(C)OC 66331789 BCCJZUBUYPSVEN-JPVHLGFFSA-N 430.582 3.808 0 40 IHAB CC[C@@H]1CCCCN1c1cc(SCC(=O)NCCc2ccc(OC)c(OC)c2)ncn1 67255770 CSEFYLHAJXIMIW-GOSISDBHSA-N 444.601 3.714 0 40 IHAB COc1ccc(-c2nnc(CN(C)C(=O)COc3ccc(Cl)cc3C)o2)cc1OC 408714396 PXMAWUCCCSHCJH-UHFFFAOYSA-N 431.876 3.753 0 40 IHAB Cc1csc(=O)n1CC(=O)NC[C@H](c1ccc(N(C)C)cc1)c1c[nH]c2ccccc12 9871976 UJBCKAQMFZNNRI-HXUWFJFHSA-N 434.565 3.714 0 40 IHAB CN(C)C(=O)c1ccc(NC(=O)CSc2nnc(-c3cccs3)n2C2CC2)cc1 9219106 HMPUONUEIGGGFI-UHFFFAOYSA-N 427.555 3.774 0 40 IHAB CCN(c1cc(OC)c(OC)cc1C(=O)Nc1cccc2ccccc12)S(C)(=O)=O 22251901 OAYOOHZPGMZTTN-UHFFFAOYSA-N 428.510 3.895 0 40 IHAB Cc1c(OCC(=O)N2CCN(c3ccccc3)CC2)ccc2c3c(c(=O)oc12)CCCC3 9347934 KLYUNSCKFGWHLY-UHFFFAOYSA-N 432.520 3.708 0 40 IHAB Cc1c(C(=O)NCc2ccc(F)cc2F)cnn1-c1ccc(-c2nc(C(C)C)no2)cn1 71768689 RBYAKJWGAGXJHT-UHFFFAOYSA-N 438.438 3.957 0 40 IHAB C[C@H](NS(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1)c1cccc(-n2cccn2)c1 97163930 PTZFHGVULUPAJB-KRWDZBQOSA-N 447.520 3.559 0 40 IHAB Cc1noc(C)c1[C@H](C)C(=O)N(CCN1CCOCC1)c1cccc(C(F)(F)F)c1 95983410 FXOWTIOYKRVNTG-AWEZNQCLSA-N 425.451 3.779 0 40 IHAB COc1ccc(C(=O)C2CCN(C(=O)CNC(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 9983608 SPRQDTUOLRAMKI-UHFFFAOYSA-N 448.441 3.565 0 40 IHAB COc1ccc(CN(C)C(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1 408625052 HXYGWBHOWICNFS-UHFFFAOYSA-N 438.549 3.858 0 40 IHAB CCOC(=O)c1ccc(N(Cc2cccnc2)C(=S)NC(=O)c2ccc(OC)cc2)cc1 22528407 POFDSRMHVGQFGO-UHFFFAOYSA-N 449.532 3.988 0 40 IHAB COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(OC)cc2OC)C12CCCC2 32093102 LTQRXCBUEGHZRZ-JOCHJYFZSA-N 438.524 3.841 0 40 IHAB O=C(c1ccc(O)cc1)N1N=C(c2ccc(Br)cc2)C[C@@]1(O)C(F)(F)F 32101256 GDIRHIRHJVVDPQ-MRXNPFEDSA-N 429.192 3.656 0 40 IHAB CCc1ccc(OCC(=O)Nc2cccc(OCc3cc(=O)n4oc(C)cc4n3)c2)cc1 35378585 MRHZVJYNRXAABG-UHFFFAOYSA-N 433.464 3.755 0 40 IHAB O=C(Nc1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc(OCC(F)F)cc2)CC1 541324240 BSBNYNRJZYKZIW-UHFFFAOYSA-N 442.459 3.509 0 40 IHAB Oc1nc2ccccc2n1CCCSc1nnnn1-c1ccc(Br)cc1 542216434 LRXQBEZBWKCOGL-UHFFFAOYSA-N 431.319 3.663 0 40 IHAB Cc1nn(CC(=O)Nc2ccc(CC[C@H]3CCN(C)C[C@@H]3C)cc2)c(=O)c2ccccc12 72335302 RULPXBDYRYYQOF-RXVVDRJESA-N 432.568 3.864 0 40 IHAB COc1ccc(S(=O)(=O)NCCCc2ccc(C(C)C)cc2)cc1N1CCCC1=O 219230543 KDLLRJWUFFUGFY-UHFFFAOYSA-N 430.570 3.857 0 40 IHAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2coc(NC(=O)c3cccs3)n2)CC1 62023077 SMPHGRWMBDHWEI-UHFFFAOYSA-N 430.917 3.913 0 40 IHAB O=C(O)[C@@]12C[C@@H]3C[C@@H](C[C@@](n4ncc(Nc5ccc6c(c5)OCO6)c(Cl)c4=O)(C3)C1)C2 217497442 MWPWITJYJPAFNM-NFVGHHCFSA-N 443.887 3.749 0 40 IHAB CCCCn1c(N)c(N(Cc2ccccc2)C(=O)[C@H]2CCCc3ccccc32)c(=O)[nH]c1=O 32759937 CZZCVEPQGNXZID-NRFANRHFSA-N 446.551 3.572 0 40 IHAB COc1ccccc1[C@@H](C)NC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1C 225225234 DYHGMQJZDNIOOB-GOSISDBHSA-N 430.570 3.915 0 40 IHAB CCOC(=O)c1ccc(NC(=S)NCc2nc(-c3cccc(OC)c3)no2)c(C)c1 225822766 RYQUHTXRXPONDT-UHFFFAOYSA-N 426.498 3.717 0 40 IHAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)cc1OC 223889248 HNMKPLMODYOEAD-IMWSTINSSA-N 426.538 3.841 0 40 IHAB COc1cccc(N(C)C(=O)COc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)c1 222685444 OTENSHDEGAKMON-UHFFFAOYSA-N 440.521 3.846 0 40 IHAB C[C@H]1Cc2ccccc2N1C(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(C)(=O)=O 226063000 ATCOEDMPVXEJME-ZDUSSCGKSA-N 427.353 3.733 0 40 IHAB O=C([C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1)N1CCC(c2noc3cc(F)ccc23)CC1 96345456 YTDYLXHKJDLBHK-OAHLLOKOSA-N 447.470 3.602 0 40 IHAB Cc1ccc(Cn2c3c(c(O)nc2=O)C(c2ccccc2)(c2ccccc2)C(=O)N3)cc1C 585139070 NHKRIYMLGAGHPJ-UHFFFAOYSA-N 437.499 3.901 0 40 IHAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N([C@H]1CCN(CC(F)(F)F)C1=O)CC2 599200362 HXAMUHPTEHRPPZ-GHTZIAJQSA-N 434.458 3.815 0 40 IHAB COc1ccc(/C=C2\N=C(c3ccc(I)cc3)OC2=O)cc1OC 829639 FQWCKGTZSIMYEI-ZROIWOOFSA-N 435.217 3.653 0 40 IHAB COC(=O)C1=C(C)N(c2ccc(C)c(F)c2)C(=S)N[C@@H]1c1cc(OC)c(O)c(OC)c1 11559462 BWXHSOZHEAFZDQ-LJQANCHMSA-N 446.500 3.740 0 40 IHAB O=C(Nc1ccc(N2CCCC2)cc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 12073810 PCQHQHMIAXOXNI-UHFFFAOYSA-N 433.961 3.977 0 40 IHAB Cc1c(C)n(Cc2ccccc2)c2ncnc(OC3CCN(CC(=O)N4CCCC4)CC3)c12 12133563 COWKZVNNKRUWGF-UHFFFAOYSA-N 447.583 3.562 0 40 IHAB CCC[C@]1(C(=O)OCC)N[C@@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 12497350 ASKYGVKMRJNGRU-MSZDEVHKSA-N 434.536 3.856 0 40 IHAB C[C@@H](OC(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N(C)c1ccccc1 12805094 ITOZWMHTUPXCSA-UCKITQNFSA-N 438.568 3.789 0 40 IHAB Cc1ccc2cc(CN(CCO)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1 13498567 ZRYCJIWSIKSPME-JOCHJYFZSA-N 438.576 3.520 0 40 IHAB Cc1csc(NC(=O)CCC(=O)N(CC(=O)NC2CCCC2)c2ccc(Cl)cc2)n1 13505652 SQZSAJDZYOGUHG-UHFFFAOYSA-N 448.976 3.916 0 40 IHAB CC(C)CCN(C(=O)CNC(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1ccccc1 13506808 GQWWTUMWLVFSBF-QHCPKHFHSA-N 439.556 3.684 0 40 IHAB OC1CCN([C@H]2c3cc(-c4ccccc4)cnc3Sc3nc(-c4cccnc4)nn32)CC1 13566592 RCYCTVVEMTVTBP-HSZRJFAPSA-N 442.548 3.870 0 40 IHAB COc1ccc(Cl)cc1N([C@H](C)C(=O)NCCCc1ccc(C)cc1)S(C)(=O)=O 13671036 WGWYZPKBLUYBBD-MRXNPFEDSA-N 438.977 3.561 0 40 IHAB COc1ccc(CN2CCC[C@H](c3nn(C)cc3-c3ccnc(N4CCCC4)n3)C2)cc1 19290171 FNGKDQBIPMNSKU-FQEVSTJZSA-N 432.572 3.866 0 40 IHAB CCc1nc2ccccc2n1CCC(=O)N1CCC[C@H](c2nc(-c3cccnc3)no2)C1 19523280 YYXFLYSOCNXBOL-SFHVURJKSA-N 430.512 3.840 0 40 IHAB CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2c(OC)cccc2OC)cc1OC 19643651 RWQCSRXBSCXANL-UHFFFAOYSA-N 445.541 3.968 0 40 IHAB CN(C)c1nc2ccccc2cc1CN1CCO[C@H](c2cc(C(N)=O)c3ccccc3n2)C1 19759615 IFYHWKORQXZWOY-DEOSSOPVSA-N 441.535 3.521 0 40 IHAB Cc1nc([C@H]2CCCCN2Cc2c(-c3ccccc3)nn(C)c2C)ncc1C(=O)N(C)C 19765605 ZYXSLDTVRKZERV-JOCHJYFZSA-N 432.572 3.923 0 40 IHAB CCN(CC(=O)Nc1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930221 HYMIEQWUQVKQKD-UHFFFAOYSA-N 447.340 3.660 0 40 IHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 19932963 GFGFZWYKYPVKLU-CQSZACIVSA-N 431.901 3.942 0 40 IHAB COc1ccc([C@@H]2CN(Cc3cccc(F)c3F)C[C@H]2c2cc(=O)[nH]c(C)n2)cc1OC 19285452 WAIIYXSQEMTTAU-ZWKOTPCHSA-N 441.478 3.757 0 40 IHAB CCO[C@@H]1CN(Cc2ccccc2)C(=O)[C@@]2(CCCN(C(=O)c3cc(C(C)C)no3)C2)C1 2037873478 ODXHFFYCFOUJGX-CPJSRVTESA-N 439.556 3.858 0 40 IHAB COc1ccc(C)cc1NC(=O)c1cc(S(=O)(=O)NCCc2ccccc2)ccc1F 3024870 FKJDNYHJTBGQGX-UHFFFAOYSA-N 442.512 3.916 0 40 IHAB CCCN1C(=O)C(C)(C)COc2ccc(NS(=O)(=O)c3ccc(OC)c(F)c3)cc21 9171943 MJXIGBMTZDDBLY-UHFFFAOYSA-N 436.505 3.797 0 40 IHAB COCCn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1c[nH]c2ccccc12 9382308 RTTWHWGCYXTLPK-UHFFFAOYSA-N 433.537 3.754 0 40 IHAB Cc1ccc(C)c(NC(=O)C(=O)NC[C@H](c2cccnc2)N2CCc3ccccc3C2)c1 22906750 HCPMBGJWHNSGOA-XMMPIXPASA-N 428.536 3.553 0 40 IHAB C[C@H](NC(=O)C(=O)NC[C@@H](c1cccs1)N1CCc2ccccc2C1)c1ccccc1 22908300 OWLAWQJLNWHFKW-AVRDEDQJSA-N 433.577 3.841 0 40 IHAB COc1cccc(N2C[C@@H](c3nc4ccccc4n3CC(=O)N3CCCCC3)CC2=O)c1 31903668 ZQJXNKVOCHGYBC-SFHVURJKSA-N 432.524 3.578 0 40 IHAB COc1ccc(/N=c2\scc(-c3ccc(OC)cc3)n2CCN2CCOCC2)cc1 100053477 VVSWWFIFVKDIQM-VHXPQNKSSA-N 425.554 3.798 0 40 IHAB CCN(CC(=O)Nc1ccc(OC)cc1)Cc1nc2scc(-c3ccco3)c2c(=O)[nH]1 30219835 LKUUSRQIJJJJND-UHFFFAOYSA-N 438.509 3.714 0 40 IHAB COC(=O)Cc1c(C)c2cc(Cl)c3c(c2oc1=O)CN(Cc1cccc(OC)c1)CO3 20649519 ROQRCBMAYNIVTF-UHFFFAOYSA-N 443.883 3.831 0 40 IHAB CC1=C(C(=O)OCC(F)(F)C(F)(F)F)[C@@H](c2ccccc2Br)NC(=O)N1 863154 OQXWAEMCGAXMOH-LLVKDONJSA-N 443.166 3.818 0 40 IHAB Cc1cc(C)nc(SC2=C(Nc3ccc(O)cc3)C(=O)N(Cc3ccccc3)C2=O)n1 959917 NHELMMWZSLQIRU-UHFFFAOYSA-N 432.505 3.784 0 40 IHAB CC(C)C12CN3CC(C(C)C)(CN(C1)C31C(=O)N(Cc3ccccc3)c3ccccc31)C2=O 1322180 WLKQZLUWSALPLZ-UHFFFAOYSA-N 443.591 3.885 0 40 IHAB biogenic COC(=O)[C@@H](Cc1ccc(OC(=O)c2ccccc2C)cc1)N1Cc2ccccc2C1=O 1383738 IYNYDRQKADRTKE-HSZRJFAPSA-N 429.472 3.954 0 40 IHAB O=C1c2ccccc2C(=O)N1CCSc1nnc(-c2cccnc2)n1-c1ccccc1 1473483 ZANYUVQNBAYCHG-UHFFFAOYSA-N 427.489 3.718 0 40 IHAB CCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc(OC)cc2OC)C1=O 2098495 ORDXMSHQXHTAPL-SQJMNOBHSA-N 447.535 3.670 0 40 IHAB biogenic CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CCN1CCCC(C)(C)C1 2247473 WZGIYHDLUCNPKE-UHFFFAOYSA-N 431.533 3.812 0 40 IHAB CCOC(=O)C1=NN(c2ccc(Br)cc2)C=C(CCO)[P@@]1(=O)OCC 2320288 LRXXZGISQDSUIP-RUZDIDTESA-N 431.223 3.684 0 40 IHAB CCN(CC)C(=S)SCC(=O)Nc1ncc2c(n1)C[C@@H](c1ccccc1)CC2=O 2440951 BNYCRLWHCMXQEU-OAHLLOKOSA-N 428.583 3.688 0 40 IHAB COc1ccc(NC(=O)CSc2nc3c(c(=O)n2-c2ccccc2)SCC3)cc1 2719674 GALUXZWXDWARMG-UHFFFAOYSA-N 425.535 3.620 0 40 IHAB O=C1[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1nn(Cc2c(Cl)cccc2Cl)cc1Cl 2731593 BUZQCKCFWQUQOB-NMWPEEMBSA-N 426.687 3.558 0 40 IHAB COc1cc(NC(=O)c2cc3ccccc3oc2=O)cc(S(=O)(=O)c2ccccc2)c1 2756138 VVXPEPQGLXXFDS-UHFFFAOYSA-N 435.457 3.887 0 40 IHAB O=C1CC[C@H](C(=O)N(Cc2cccs2)C2(C(=O)NC3CCCCC3)CCCCC2)N1 4571630 IYQKNFSWDNPGJN-LJQANCHMSA-N 431.602 3.507 0 40 IHAB CC1=C(C(N)=O)[C@@H](c2ccc(Cl)cc2)N2NC(SCc3ccccc3F)=NC2=N1 4574809 HUHBLMGZKJHORG-QGZVFWFLSA-N 429.908 3.759 0 40 IHAB Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)N3CCCCCC3)cc2c1 6409294 CYSDYCYUDWMUHI-HSZRJFAPSA-N 446.530 3.976 0 40 IHAB O=C(CNC(=O)c1ccccc1NC(=O)c1ccccc1)Nc1ccc(F)c(F)c1F 8749410 KZWRXGBONYSLJE-UHFFFAOYSA-N 427.382 3.725 0 40 IHAB Cc1cc(OCC(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)c(C(C)C)cc1Cl 8825640 FMGYWYCJJWKEAE-UHFFFAOYSA-N 431.872 3.908 0 40 IHAB CSc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3F)CC2)cc1 8933978 ZPTRGKHTBUNGKE-UHFFFAOYSA-N 426.510 3.726 0 40 IHAB Cc1cccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(Cc3ccccc3Cl)c(=O)n2C)c1 9089132 WVXOGSIBEVWLGJ-MRXNPFEDSA-N 449.942 3.695 0 40 IHAB CC1(C)COc2ccc(NS(=O)(=O)c3ccccc3Br)cc2NC1=O 9173246 VLDVPASJYLVOTP-UHFFFAOYSA-N 425.304 3.607 0 40 IHAB O=C(CNc1cccc(S(=O)(=O)N2CCCCC2)c1)Nc1ccc(Cl)cc1F 9379301 FYBKWSXRWXGHLN-UHFFFAOYSA-N 425.913 3.704 0 40 IHAB COc1ccc(Cc2nc3c4c(C)c(C)n(-c5cccc(C)n5)c4ncn3n2)cc1OC 9421873 IIAZONMKNYONPL-UHFFFAOYSA-N 428.496 3.996 0 40 IHAB O=C1N[C@H](c2cccc(Br)c2)[C@H](C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 9704297 QFHWXDRJPSSTMX-CKEIUWERSA-N 443.219 3.553 0 40 IHAB Cc1cc(NC(=O)C2c3ccccc3Oc3ccccc32)n(-c2nc3c(c(=O)[nH]2)CCC3)n1 9822603 QEFFALMLQXNCAF-UHFFFAOYSA-N 439.475 3.629 0 40 IHAB CCc1cccc2c(C(=O)CN3C(=O)N[C@](C)(c4ccc5c(c4)OCCCO5)C3=O)c[nH]c12 9952851 MBYHVHCRDKBWLZ-RUZDIDTESA-N 447.491 3.542 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N(C)Cc2nc3ccccc3s2)c1 10286076 AWGJVIQHVYWCSF-UHFFFAOYSA-N 431.583 3.907 0 40 IHAB CNC(=O)NC(=O)[C@H](C)Sc1nnc(-c2ccc(OC)cc2)n1[C@@H]1CCCC[C@H]1C 11537928 UAFLYXVJAQWPBE-JKIFEVAISA-N 431.562 3.641 0 40 IHAB O=C(Cn1c(=O)cc(C(=O)N2CCCCC2)c2ccccc21)NCc1ccccc1Cl 12375521 IESHIHPXXZTGIU-UHFFFAOYSA-N 437.927 3.597 0 40 IHAB biogenic,in-vitro COCCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1ccncc1 12390706 NQWNNNOFLLJXNZ-UHFFFAOYSA-N 427.526 3.622 0 40 IHAB CC(=O)N1CCC2(CC1)CC(=O)c1ccc(OCC(=O)NC3CCCCCCC3)cc1O2 12407633 GSAFJAWDZOYHIU-UHFFFAOYSA-N 442.556 3.641 0 40 IHAB Cc1ccc(-c2nnc(SCC(=O)NC3=NN(c4ccccc4)CC3)n2C)c(Cl)c1 12447193 UHRGVXHQLKEBCP-UHFFFAOYSA-N 440.960 3.876 0 40 IHAB CC(=O)c1ccc(N2CCN(C(=O)[C@@H](C)Oc3ccc(Br)cc3)CC2)c(F)c1 12557861 URJRTCWQSHYOJN-OAHLLOKOSA-N 449.320 3.907 0 40 IHAB Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1 12740747 ZARWEZGHKGKGMG-UHFFFAOYSA-N 444.488 3.618 0 40 IHAB COc1ccc(Br)cc1CN(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 12860226 FKZBRUQMLRWVDG-AWEZNQCLSA-N 446.345 3.653 0 40 IHAB Cc1ccc2[nH]cc(CCN3C[C@H](C(=O)Nc4nnc(CC(C)C)s4)CC3=O)c2c1 12863062 JWIVKONQUQCPKL-MRXNPFEDSA-N 425.558 3.556 0 40 IHAB O=C(NCCc1ccccc1)[C@@H](c1ccccn1)N(C(=O)c1csnn1)C1CCCCC1 12873784 SGCLCIOEDWARHW-JOCHJYFZSA-N 449.580 3.808 0 40 IHAB CC1CCN(c2nnc(SCC(=O)Nc3ccc(F)cc3)n2C[C@H]2CCCO2)CC1 12918248 PURVHACTZUCMDX-GOSISDBHSA-N 433.553 3.563 0 40 IHAB CCn1c(=O)n(CCC(=O)Nc2ccc(C)c(I)c2)c2ccccc21 12988846 BZJZIPGVBRWVMI-UHFFFAOYSA-N 449.292 3.765 0 40 IHAB COc1ccc(C(=O)NCc2ccc(F)cc2)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C 13042330 NYVPCNYAEWKANG-KXBFYZLASA-N 434.533 3.621 0 40 IHAB Cc1nc2c3ccccc3nc(S[C@@H](C)C(=O)Nc3ccc(N4CCOCC4)cc3)n2n1 13229163 HRHNXHQTZCFHDN-HNNXBMFYSA-N 448.552 3.542 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)CCc2c[nH]c3ccccc23)c1 14867427 NQPYRKBZRQJAQJ-UHFFFAOYSA-N 442.585 3.836 0 40 IHAB CC[C@@H](C)Oc1cccc(C(=O)NC(=S)Nc2ccc(NC(=S)NC(C)=O)cc2)c1 16610439 XAQDSONTORXFFM-CYBMUJFWSA-N 444.582 3.824 0 40 IHAB CS(=O)(=O)c1ccc(Nc2nc(CC(=O)NCc3ccccc3Cl)cs2)cc1 16850422 YAVDCQDBGPUSDC-UHFFFAOYSA-N 435.958 3.803 0 40 IHAB Nc1scc2c(-c3nnc(NC(=O)c4ccccc4)s3)nn(-c3ccccc3)c(=O)c12 18996137 JWVQQQPWTBWPDQ-UHFFFAOYSA-N 446.517 3.800 0 40 IHAB NC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(Cc2ccc3c(c2)OCCO3)C1 19348349 ISNWQHNJOWGZFI-MHZLTWQESA-N 443.547 3.830 0 40 IHAB CCNC(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)Cn2cc(C)cn2)C1 19528939 TWKDCLCHTMSMTA-DEOSSOPVSA-N 436.581 3.518 0 40 IHAB COc1cccc(CC(=O)N2CCC[C@@H](c3nc4sc5c(c4c(=O)[nH]3)CCCC5)C2)c1 19564238 JWDRLNNYPLITHZ-MRXNPFEDSA-N 437.565 3.821 0 40 IHAB CNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)Cc2cccnc2)C1 19591148 WBVDLTQTJSGEKP-RUZDIDTESA-N 433.577 3.950 0 40 IHAB O=C(NC1CCCCC1)c1c(N2C(=O)[C@@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C2=O)sc2c1CCCCC2 19636906 SPZBOZXUDXQQSR-OBMJPTGESA-N 442.581 3.746 0 40 IHAB Cc1nc([C@H]2CCCN2C(=O)COc2ccc(F)cc2)ncc1C(=O)NCc1ccccc1 19754976 ZKIYROVXGLHFBN-JOCHJYFZSA-N 448.498 3.597 0 40 IHAB COc1ccc(NC(=O)c2cnc([C@H]3CCN(C(=O)Cc4ccccc4F)C3)nc2C)cc1 19766196 BOMSFOYTQRWUMU-SFHVURJKSA-N 448.498 3.744 0 40 IHAB CC(C)Oc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(F)cc3)C2)cc1 19863188 RZBREIOJRJXLFH-GOSISDBHSA-N 434.533 3.793 0 40 IHAB CSc1nc(N)c2c(n1)NC1=C(C(=O)OC1)[C@H]2c1cccc(OCc2ccccc2)c1 20086862 IZKVXIFJJIYXRX-QGZVFWFLSA-N 432.505 3.728 0 40 IHAB CCOC(=O)c1sc(Nc2ncc(C(=O)Nc3ccc(OC)cc3)c(C)n2)nc1C 20799654 QPIUUKZHIWCBJG-UHFFFAOYSA-N 427.486 3.731 0 40 IHAB Cc1nn(CC(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)c(=O)c2ccccc12 21303020 MFRAHXFATITNJJ-UHFFFAOYSA-N 449.514 3.874 0 40 IHAB O=C(Cn1cnc2ccccc2c1=O)NCc1ccc(-c2ccc(Br)cc2)o1 21688248 LTEDNIMUWGVPEF-UHFFFAOYSA-N 438.281 3.735 0 40 IHAB COc1cc(NC(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)c(OC)cc1Cl 22399743 GSRVZMBSRXSBJT-UHFFFAOYSA-N 440.949 3.885 0 40 IHAB O=C(Nc1ccccc1C(=O)NCc1ccccc1)c1cccc(CN2CCOCC2)c1 22515561 LAMQCOYZWZEKLF-UHFFFAOYSA-N 429.520 3.701 0 40 IHAB O=C(N[C@H](CN1CCOCC1)c1ccccc1)c1cccc(NC(=O)c2cccs2)c1 23908637 YDVZRDUVXFFAFZ-OAQYLSRUSA-N 435.549 3.804 0 40 IHAB CC(C)Oc1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)c1 24610062 YTMPJZUKXPGIQR-UHFFFAOYSA-N 434.533 3.793 0 40 IHAB O=C(Nc1cc2c(cc1Br)OCCO2)c1cccnc1OCC(F)(F)F 24678184 XOTBDKCNQHXEHO-UHFFFAOYSA-N 433.180 3.809 0 40 IHAB COc1ccc([C@@H]2CCCN2C(=O)C[C@@H](NC(N)=O)c2ccccc2Cl)cc1OC 25613733 VRUPRGGKKPXEFL-MSOLQXFVSA-N 431.920 3.820 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCCSc4ccccc43)C2)s1 28022335 XIBHPQMHEVZNGS-INIZCTEOSA-N 436.624 3.986 0 40 IHAB O=C(Nc1nc(CC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cs1)c1ccco1 29268295 DVBZQAJWHREFHY-UHFFFAOYSA-N 435.509 3.813 0 40 IHAB Fc1ccc(-c2csc3ncnc(NC[C@H]([C@H]4CCOC4)N4CCOCC4)c23)cc1 29831640 MKWVFBWPDXBBEY-QFBILLFUSA-N 428.533 3.647 0 40 IHAB C[C@@H](NC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C)c1ccc(C(C)(C)C)cc1 30854912 DVTMJTLVXROULO-MRXNPFEDSA-N 435.565 3.613 0 40 IHAB O=C(c1cc(N2CCN(c3ccccc3Cl)CC2)nc2ccccc12)N1CCOCC1 32837490 ZAJDOSGJQVIXEN-UHFFFAOYSA-N 436.943 3.687 0 40 IHAB Cc1cc2nc(COc3cc(Cl)ccc3NC(=O)COc3ccccc3)cc(=O)n2o1 35378631 UVHFMXNHJRJDIV-UHFFFAOYSA-N 439.855 3.846 0 40 IHAB CCn1ncc(-c2noc3nc(C4CC4)cc(C(=O)N[C@H](C)CN4CCCCC4)c23)c1C 36619157 PYKBXEJMOPBSMI-OAHLLOKOSA-N 436.560 3.896 0 40 IHAB O=C(c1cncc(Br)c1)N1CCN(Cc2nc(-c3ccccc3)cs2)CC1 38488172 TWQMSXIYWYSKQT-UHFFFAOYSA-N 443.370 3.926 0 40 IHAB CCc1cccc2c(/C=C3/C(=O)N(C)C(=S)N3C)cn(CC(=O)N3CCCCCC3)c12 39556467 XMSFBVZZXJWXOM-ZHZULCJRSA-N 438.597 3.636 0 40 IHAB Cc1ccc(-c2nc(CN3C(=O)N[C@@](C)(c4cccc(Br)c4)C3=O)no2)cc1 40050112 ZAWGSPPVSRBZKU-FQEVSTJZSA-N 441.285 3.775 0 40 IHAB Cc1nn2c(nnc3c(=O)n(NC(=O)c4ccc(Cl)cc4)ccc32)c1-c1ccc(F)cc1 40392015 AUOKFAWTZVBOCE-UHFFFAOYSA-N 448.845 3.591 0 40 IHAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 44880218 FWSWKMJAEJVASQ-FQEVSTJZSA-N 440.525 3.690 0 40 IHAB CN(c1ccsc1C(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 48986815 PTRAAVUXHWJOTF-UHFFFAOYSA-N 430.507 3.597 0 40 IHAB O=C(NC1CCN(C(=O)c2cn(-c3ccc(Cl)cc3)nn2)CC1)c1cccc(Cl)c1 49406224 ACKIAYZUSZZVRK-UHFFFAOYSA-N 444.322 3.609 0 40 IHAB COc1ccc(C(=O)N2CCN(c3c(F)c(F)c(Cl)c(F)c3F)CC2)c(OC)c1 57317334 IDNIWALFAMVNEJ-UHFFFAOYSA-N 432.801 3.876 0 40 IHAB Fc1cccc(-c2noc([C@H]3CCCN(c4ccc5nnc(C(F)(F)F)n5n4)C3)n2)c1 58159709 MRGVDZKGFOEGIZ-LBPRGKRZSA-N 433.369 3.716 0 40 IHAB COC(=O)c1ccccc1NC(=O)CSc1nnc(COc2cccc(C)c2C)o1 59176178 RPTZGNUEKAZJLO-UHFFFAOYSA-N 427.482 3.783 0 40 IHAB CC(=O)c1cccc(NC(=O)Cn2nnc(C(=O)Nc3cccc(Cl)c3C)c2C)c1 67323022 OASREYMRKUYBKG-UHFFFAOYSA-N 425.876 3.642 0 40 IHAB O=C(O)[C@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1ccc(C(F)(F)F)cc1 71980651 MPSDCJOHIZIUPJ-LJQANCHMSA-N 448.441 3.623 0 40 IHAB Cn1ccc(C(=O)N2CCC3(CC2)C[C@]2(CO3)Nc3cc(Cl)ccc3-n3cccc32)n1 72327349 SVTHVVVKACSDBF-HSZRJFAPSA-N 437.931 3.580 0 40 IHAB Cc1cc(Cc2ccccc2Cl)cc([C@@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)n1 72354254 HNXLHAHUMJDYFZ-LJQANCHMSA-N 444.988 3.936 0 40 IHAB Cc1ccc(SCC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c(C)c1 89614477 XVBJGCPDIZOQJG-UHFFFAOYSA-N 432.611 3.545 0 40 IHAB Cn1nc(-c2ccccc2)cc1C(=O)N1CCC(Oc2ncccc2Br)CC1 96096933 RUKQABMNSSTUCL-UHFFFAOYSA-N 441.329 3.928 0 40 IHAB COc1ccc(CCNC(=O)CN2C(=O)c3ccccc3Sc3ncccc32)cc1OC 96232116 GJUDIQVXRZSDHZ-UHFFFAOYSA-N 449.532 3.569 0 40 IHAB Cc1ccc(N2C(=O)NC(=O)/C(=C(\NCc3cccc(F)c3)Nc3ccccc3)C2=O)cc1 101382577 JIOZMOKMAUSEIR-DQRAZIAOSA-N 444.466 3.830 0 40 IHAB CCCC[C@@H](C(=O)O[C@@H](C)C(=O)c1ccc(C)cc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 102139147 DODZLIYLUHLZKM-WQGLGUOWSA-N 449.547 3.721 0 40 IHAB CCc1cc(Br)cc(CC)c1NC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 102531530 VDEVQVGBIMVFHA-DFEHZGFQSA-N 433.346 3.544 0 40 IHAB CCOC(=O)[C@H](C(=O)CSc1nnc(-c2ccc(C)cc2)n1C)c1nc(C)cs1 103034693 PGXJPHYXLWICOB-MRXNPFEDSA-N 430.555 3.564 0 40 IHAB CCc1ccc(N([C@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)S(C)(=O)=O)cc1 220271070 YANIZIFUDRQXRW-LJQANCHMSA-N 428.598 3.885 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc3sncc3c2)c(C)c1 222817188 USFPKKSECDFSLU-UHFFFAOYSA-N 433.555 3.653 0 40 IHAB CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)COc1ccc(Br)c(C)c1 222999178 PIBGMOORXGKWFZ-HXUWFJFHSA-N 447.373 3.998 0 40 IHAB CC[C@@H](NS(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1)c1ccc(OC)c(OC)c1 223207451 KMVANTLEDHSFAS-MRXNPFEDSA-N 427.906 3.573 0 40 IHAB COC[C@H](C)Nc1ccc(C(=O)OC(C)C)cc1S(=O)(=O)Nc1ccc(OC)cc1 223428210 LXTPXLGPBCFJMC-HNNXBMFYSA-N 436.530 3.508 0 40 IHAB CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)COc1cc(C)c(Cl)c(C)c1 223448189 OZITVQCWOFVDPO-HXUWFJFHSA-N 432.948 3.898 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(C)c(Cl)c2)cc1Br 224882725 HUFJARUWHLWOGU-UHFFFAOYSA-N 448.722 3.699 0 40 IHAB CC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccc(OC)c(C)c1 225484501 WVGJLRKHWYUZSO-QFIPXVFZSA-N 444.597 3.980 0 40 IHAB Cc1cc(Cc2ccccc2C)cc([C@@H]2CN(C(=O)c3cc(C)nc(N(C)C)n3)CCO2)n1 257203856 ARYJEOTZSPQQST-DEOSSOPVSA-N 445.567 3.667 0 40 IHAB COc1ccccc1CN(CC(=O)O)C(=O)CCCn1c(C(F)(F)F)nc2ccccc21 257261084 LFQTWBARLPERKF-UHFFFAOYSA-N 449.429 3.957 0 40 IHAB O=C(C(c1ccccc1)c1ccccc1)N1CC[C@@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 257282974 OWCLECRQHBINGW-HHHXNRCGSA-N 444.506 3.992 0 40 IHAB Cc1ncsc1C(=O)N1CCC[C@]2(CCCCc3ccccc3OCC(=O)NC2)C1 257283712 OZMMGWIYZLXWLJ-QHCPKHFHSA-N 427.570 3.596 0 40 IHAB Cc1ncsc1C(=O)N1CCO[C@@H](c2cc(CCOc3ccc(Cl)cc3)n(C)n2)C1 257312237 UMYZRKAMCHBUOY-LJQANCHMSA-N 446.960 3.674 0 40 IHAB CCc1ccc(N([C@H](C)C(=O)Nc2nnc(-c3ccc(C)cc3)s2)S(C)(=O)=O)cc1 260769850 SBYGSBGLFHSIEZ-OAHLLOKOSA-N 444.582 3.869 0 40 IHAB CCc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2OC)C1 408561291 RWONYYVDCFPOQW-INIZCTEOSA-N 436.961 3.950 0 40 IHAB O=C(CN1C(=O)S/C(=C/c2ccc(O)cc2)C1=O)Nc1ccc(Br)cc1 409161109 WNQABBTYVKOHQQ-OQLLNIDSSA-N 433.283 3.830 0 40 IHAB O=C(O[C@H]1C(=O)N(c2cccc(Cl)c2)C(=O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 409297549 KVJOXEHBPCNJCT-WOJBJXKFSA-N 449.846 3.664 0 40 IHAB O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)N[C@@H](CO)c1ccc(C(F)(F)F)cc1 552400427 NEIQEULRLXVOPY-KRWDZBQOSA-N 449.878 3.763 0 40 IHAB CC(C)(C)CC(=O)N[C@H]1[C@H](c2cccs2)N(C(=O)COc2ccccc2)CC[C@@]1(C)O 604383319 VQSUKYOREZVZOQ-WPFOTENUSA-N 444.597 3.773 0 40 IHAB biogenic,in-vitro O=C(NCc1ccc(F)cc1)[C@@H]1CN(CC2CCOCC2)[C@H]2c3cc(F)ccc3OC[C@@H]12 1772595530 DBKPOICKPGZMQR-GPXNEJASSA-N 442.506 3.689 0 40 IHAB CCCN1CCN(C(=O)c2ncc[nH]2)C[C@H](Cc2ccc(-c3cccc(C)c3)cc2)C1=O 1848354145 RQBFJENWNTUZKM-QHCPKHFHSA-N 430.552 3.938 0 40 IHAB Cc1ccc2nc(SCC(=O)Nc3ccc(S(=O)(=O)N(C)C)cc3)c(C)cc2c1 932923 WANMZXSLIKLYLY-UHFFFAOYSA-N 429.567 3.833 0 40 IHAB COc1ccc2c(c1OC)C(=O)O[C@@H]2c1c(O)nc(=S)n(-c2ccc(C)cc2)c1O 2269463 RZUSSKFFHHTAOX-INIZCTEOSA-N 426.450 3.598 0 40 IHAB O=C(CCCn1c(S)nc2ccc(Br)cc2c1=O)NCCc1ccccc1 2973754 GCCNZUQDTWJEHQ-UHFFFAOYSA-N 446.370 3.587 0 40 IHAB COC(=O)c1ccc(NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1 3172995 ZOXCDTDSFCVIMW-UHFFFAOYSA-N 438.505 3.616 0 40 IHAB CC[C@@H](C)[C@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1)C(=O)OC 8877874 JPUZZTXJISQPDB-XARZLDAJSA-N 440.540 3.949 0 40 IHAB biogenic COC(=O)[C@@H](NC(=O)CCc1nc(-c2cccc(C(F)(F)F)c2)no1)c1ccccc1 8925721 RSGRHSGNSDODOT-SFHVURJKSA-N 433.386 3.719 0 40 IHAB Cc1sc2ncnc(SCC(=O)NCc3ccc(N4CCCC4=O)cc3)c2c1C 9416724 OQCZQOCXSIDZSK-UHFFFAOYSA-N 426.567 3.843 0 40 IHAB Cc1nc2cc(C(=O)OCC(=O)NCc3ccc4c(c3)OCO4)ccc2n1-c1ccccc1 9509892 IFNRYJCCFSQNSC-UHFFFAOYSA-N 443.459 3.536 0 40 IHAB CCc1nnc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(Cl)cc2)s1 9517685 MZNFTFJYUMEMTR-UHFFFAOYSA-N 431.934 3.614 0 40 IHAB O=C(CN1CCC[C@@H]2CCCC[C@@H]21)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl 9581072 PFZAGWXQXPPEOI-JXFKEZNVSA-N 440.009 3.718 0 40 IHAB CC(=O)N[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccccc1 9603815 MSEQXJVWJGRLNO-GOSISDBHSA-N 435.446 3.748 0 40 IHAB O=C(c1ccccc1)N1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)CC1 9712106 ZFPWIZWLRMFRRI-UHFFFAOYSA-N 437.503 3.533 0 40 IHAB O=C(CSc1nccn(-c2ccc(Br)cc2)c1=O)NCc1ccc(F)cc1 9761509 DTVTZXLOICRUOG-UHFFFAOYSA-N 448.317 3.543 0 40 IHAB CCOc1cccc2c(C)nc(Nc3nc(CSc4nnc(C)s4)cc(=O)[nH]3)nc12 9936724 JAKZUIUTELDGLT-UHFFFAOYSA-N 441.542 3.616 0 40 IHAB COc1ccc(-c2nc3n(n2)[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)CC(=O)N3)cc1 10153472 NNIKPHMVPIYQNZ-HNNXBMFYSA-N 432.267 3.783 0 40 IHAB COC(=O)c1ccccc1NC(=O)c1ccc(=O)n(Cc2cccc(C(F)(F)F)c2)c1 10187900 DDFRFBBUYZWJRG-UHFFFAOYSA-N 430.382 3.954 0 40 IHAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)CCSc2ccccc2F)CC1 10217447 CWXCAEDPPSEUKA-UHFFFAOYSA-N 430.501 3.914 0 40 IHAB Cc1ccc(OCC(=O)N2CCC(NC(=O)c3ccccc3)CC2)c(Br)c1 10782040 DZGPABHEFDOUKU-UHFFFAOYSA-N 431.330 3.557 0 40 IHAB C[C@H]1Cc2ccccc2N1C(=O)CN1CCC[C@@H](n2c(=O)oc3ccc(Cl)cc32)C1 12184554 QWQLEKCDWXPXEY-MAUKXSAKSA-N 425.916 3.863 0 40 IHAB O=C(c1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)ccc1Cl)N1CCOCC1 12557026 JBXDTXOWILQITI-UHFFFAOYSA-N 448.850 3.632 0 40 IHAB CCN(CC)C(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(Br)cc2)c1 12585164 UTIJBSJMBKNGKF-UHFFFAOYSA-N 441.347 3.741 0 40 IHAB Cc1ccc([C@@H](C(=O)NC2CCCC2)N(CCc2ccccc2)C(=O)c2csnn2)o1 12638589 AEGMKUIMEBRGEK-NRFANRHFSA-N 438.553 3.925 0 40 IHAB C[C@@]1(CCc2ccc(OC(F)F)cc2)NC(=O)N(C[C@@H](O)c2ccc(Cl)cc2)C1=O 12790502 IASAKCSNRYMSDT-UTKZUKDTSA-N 438.858 3.918 0 40 IHAB Cc1ccc(CN(C)C(=O)CCn2cnc3ccc(Br)cc3c2=O)c(C)c1 12810363 NPHKABZCDJMBGQ-UHFFFAOYSA-N 428.330 3.825 0 40 IHAB COc1ccc(CCC(=O)N(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1OC 12980278 BJUCEAPRYHEYJK-UHFFFAOYSA-N 440.418 3.632 0 40 IHAB O=C(c1ccc(-c2ccccc2Cl)o1)N1CCN(S(=O)(=O)c2cccs2)CC1 13011515 HCBLACKLBQNGEY-UHFFFAOYSA-N 436.942 3.808 0 40 IHAB O=C(CCS(=O)(=O)c1ccccc1F)Nc1ccc(-c2nnc3n2CCCCC3)cc1 13117654 QVHAETYFSSPCKR-UHFFFAOYSA-N 442.516 3.613 0 40 IHAB COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C(=O)O)cc1SC 13278940 BVGUQOCVDIJYIV-UHFFFAOYSA-N 432.317 3.679 0 40 IHAB CCn1c(CC(=O)Nc2ccc(C)cc2C)nnc1S[C@@H](C)C(=O)NC1CCCC1 13956664 CFFGJUIMNUHGOP-INIZCTEOSA-N 429.590 3.635 0 40 IHAB COc1ccc(NC(=O)Cc2csc(NC(=O)c3cc(OC)cc(OC)c3)n2)cc1 15881037 DALHCBXTNNPKSW-UHFFFAOYSA-N 427.482 3.602 0 40 IHAB O=C(Nc1sc2c(c1C(=O)N1CCCCC1)CCCC2)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 17096066 FAUADYRSRSQEFX-BODMPHMZSA-N 428.554 3.714 0 40 IHAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc([C@H]3COc4ccccc4O3)o2)c1C 17659120 GBTVKWVBUHTWBF-IUODEOHRSA-N 443.481 3.677 0 40 IHAB O=C(CCNC(=O)c1ccc(Br)cc1)NCCc1ccc(C(F)(F)F)cc1 17918697 WZJXPBNVBIFNTR-UHFFFAOYSA-N 443.263 3.947 0 40 IHAB Cc1ccc(O[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)c2cc(=O)[nH]c(C)n2)cc1 19210926 JOUAXNRKTQRHRP-AOMKIAJQSA-N 430.508 3.736 0 40 IHAB COc1ccc2c(c1)c(C(=O)[C@H](C)N1CCN(Cc3ccc4c(c3)OCO4)CC1)c(C)n2C 19372343 UJSTUEYFNLCBGU-SFHVURJKSA-N 449.551 3.613 0 40 IHAB CCNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CCCN(C(=O)c2ccccn2)C1 19528641 QHKOAYXYAKSMJX-SANMLTNESA-N 428.536 3.745 0 40 IHAB COc1ccc(-c2cc([C@H]3CCN(Cc4ccc(OC)c(CO)c4)C3)nc(N(C)C)n2)cc1 19585117 NXCHNBNKSPEYCX-FQEVSTJZSA-N 448.567 3.709 0 40 IHAB Cc1nc(C)c(C(=O)N2CCO[C@@H](c3cc(C(=O)NC(C)C)c4ccccc4n3)C2)s1 19759436 IQUUCDMVJPHIHG-HXUWFJFHSA-N 438.553 3.660 0 40 IHAB CCc1ccc(N2CN(CCN3CCOCC3)CN(c3ccc(CC)cc3)C2=S)cc1 19899420 LZWXMBAPMUXBNW-UHFFFAOYSA-N 438.641 3.972 0 40 IHAB CCOc1ccccc1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 20007977 CUAPUKNRBRXNOQ-OAQYLSRUSA-N 442.512 3.753 0 40 IHAB CCN(CC(=O)N[C@@H](C)c1ccccc1OC)S(=O)(=O)c1cc(Cl)ccc1Cl 20014705 ZAMYQGFQAIHXRZ-ZDUSSCGKSA-N 445.368 3.890 0 40 IHAB COc1c(Cl)cc(C(=O)O)cc1NC(=O)c1ccccc1I 20137858 XUCUCIMEDJBJMQ-UHFFFAOYSA-N 431.613 3.904 0 40 IHAB CC[C@@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1)c1ccc(C)cc1 20459164 TUVJSZIAFVKGKA-JOCHJYFZSA-N 432.561 3.943 0 40 IHAB COC(=O)c1ccc2c(=O)nc(CN3CCc4sccc4[C@@H]3c3cccs3)[nH]c2c1 21584878 YZWMJAWBECNVOH-HXUWFJFHSA-N 437.546 3.980 0 40 IHAB O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccccc1SC[C@@H]1CCCO1 21603076 IXCCMYMCWFEFSJ-SFHVURJKSA-N 432.567 3.750 0 40 IHAB CCCOc1ccccc1CCCNC(=O)CN(c1ccccc1Cl)S(C)(=O)=O 22330607 VDNAIJMCDKIYCG-UHFFFAOYSA-N 438.977 3.644 0 40 IHAB O=C(CNC(=O)COc1ccccc1)NC[C@H]1CC2c3ccccc3C1c1ccccc12 22878929 UVWVSDLRCGXHRZ-ZCCKZZATSA-N 426.516 3.595 0 40 IHAB COC(=O)c1ccoc1COC(=O)C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O 24037992 PDCNUEJSFYJONP-AWEZNQCLSA-N 429.372 3.631 0 40 IHAB COc1cccc(-c2noc(COC(=O)c3ccccc3I)n2)c1 24964441 NRMLDTWPUSWXFD-UHFFFAOYSA-N 436.205 3.707 0 40 IHAB C[C@H]1CN(C(=O)[C@H](C)Sc2nc3ccccc3c(=O)n2Cc2ccccc2)C[C@@H](C)O1 25392948 KMYBOLKPMZNNDG-KSZLIROESA-N 437.565 3.561 0 40 IHAB CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)c1cc(Cl)ccc1Cl 26505792 JIJQTKAKKXOHEC-INIZCTEOSA-N 442.730 3.862 0 40 IHAB CCOC(=O)c1sc2nc(C)nc(N3Cc4c(OC)ccc(OC)c4[C@@H](O)C3)c2c1C 32808479 PGINPVZZVIALHY-AWEZNQCLSA-N 443.525 3.556 0 40 IHAB Cc1ccc(-c2noc([C@@H](C)N3CCN(C(=O)c4cnc5ccccc5n4)CC3)n2)cc1 32827846 MBWKUXGPCISNNT-QGZVFWFLSA-N 428.496 3.507 0 40 IHAB COc1ccccc1-c1nnc(SCCC(=O)Nc2ccc(N3CCOCC3)cc2)o1 32869503 WLRMFZPSESARPE-UHFFFAOYSA-N 440.525 3.703 0 40 IHAB Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccc(F)c(NS(C)(=O)=O)c3)c12 32909878 KYWRTXBGVBCIFL-UHFFFAOYSA-N 430.417 3.554 0 40 IHAB Cc1cccc(NC(=O)CSc2nc(O)c3c(n2)CCN(Cc2ccc(F)cc2)C3)c1 33028770 JKYWYHVVOHWTCI-UHFFFAOYSA-N 438.528 3.919 0 40 IHAB Cc1oc(-c2ccccc2)nc1Cn1nnc(C(=O)Nc2ccc(F)c(Cl)c2)c1N 33169940 IDAQMBDMXJMPDL-UHFFFAOYSA-N 426.839 3.917 0 40 IHAB Cc1cc(C(=O)CN2CCN(C(=O)c3ccco3)CC2)c(C)n1CCc1ccc(F)cc1 35380483 ZQNPHROEHPEMRY-UHFFFAOYSA-N 437.515 3.720 0 40 IHAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)/C=C/c1cc(Cl)c2c(c1)OCCO2 36391563 ZGTZWCWCLMJSHG-MDDUGHTDSA-N 435.929 3.748 0 40 IHAB COCCn1c(=S)[nH]c(=O)c2c(C(=O)O)cc(-c3ccc(Cl)cc3Cl)nc21 36617281 FDZSKFVAYSNUHB-UHFFFAOYSA-N 426.281 3.772 0 40 IHAB CCSc1ccccc1NC(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 38757126 KIJAUVOZHJGDCW-UHFFFAOYSA-N 428.963 3.865 0 40 IHAB COC(=O)[C@@H](c1ccccc1Cl)N1CCN(C(=O)c2ccc3ncsc3c2)CC1 40033887 VWGUMXAXXUIHOB-LJQANCHMSA-N 429.929 3.622 0 40 IHAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)N[C@@H](C)Cc1cccc(Cl)c1 40112900 FYCFVVJAHLUANJ-JTQLQIEISA-N 425.842 3.703 0 40 IHAB O=C(CSCCOc1ccc(Cl)cc1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 40161361 FFLXVVQNDLGJOG-GOSISDBHSA-N 439.986 3.672 0 40 IHAB O=C1C[C@H](C(=O)Nc2ccccc2)c2c(nc(Nc3ccc(Cl)cc3Cl)[nH]c2=O)N1 40399512 KMAUNAPCLZIODP-LBPRGKRZSA-N 444.278 3.885 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCc1ccc(OC(C)C)cc1 44904647 RUBAXGWJJRDDLF-UHFFFAOYSA-N 430.570 3.887 0 40 IHAB CCNC(=O)COc1ccc([C@@H]2[C@@H](Oc3ccccc3)C(=O)N2CCC(C)C)cc1OC 48311586 QIRYTFGFDBOMRA-DNQXCXABSA-N 440.540 3.587 0 40 IHAB COc1ccc(OC)c(NC(=O)CN2CCc3[nH]c4c(C)c(Cl)ccc4c(=O)c3C2)c1 49003155 YYSRDKIOZPHJNM-UHFFFAOYSA-N 441.915 3.504 0 40 IHAB COc1ccc(OC)c(NC(=O)[C@H]2C[C@@H]3CCCN3[C@]23C(=O)Nc2ccc(Cl)cc23)c1 57120596 KGDBUUKQJOLCJU-KNUWZQJKSA-N 441.915 3.628 0 40 IHAB CC[C@@H]1CCCCN1C(=O)Cn1c(=O)n(-c2cccc(Cl)c2)c(=O)c2sccc21 57491418 FIIYYWZCINENAH-OAHLLOKOSA-N 431.945 3.658 0 40 IHAB Cc1cccc(N(C)C(=O)Cn2c(=O)n(-c3ccc(F)c(C)c3)c(=O)c3sccc32)c1 57494596 XLKHSUPYXBXYFS-UHFFFAOYSA-N 437.496 3.633 0 40 IHAB Cc1cc(=O)n(CC(=O)Nc2cccc(C(F)(F)F)c2)c(N2CCc3ccccc3C2)n1 57506404 UWDVEUYBYJRWAH-UHFFFAOYSA-N 442.441 3.772 0 40 IHAB COc1ccc([C@@H]2CC(c3cc(Cl)ccc3O)=NC3(CCN(C(C)=O)CC3)N2)cc1 65298555 GFXIDRDVABZARN-FQEVSTJZSA-N 427.932 3.917 0 40 IHAB biogenic Cc1cccc(N(C)C(=O)Cn2c(=O)n(-c3cccc(C)c3C)c(=O)c3sccc32)c1 67218491 LUTCBCAMHUFNTI-UHFFFAOYSA-N 433.533 3.802 0 40 IHAB CCN(CC)[C@H]1CCN([C@@H](C)C(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)C1 72305246 OKHZJUBWCHQKPM-RXVVDRJESA-N 438.572 3.691 0 40 IHAB O=C1N[C@@]2(COC3(CCN(C(=O)CCc4ccccc4)CC3)C2)Nc2ccc(Cl)cc21 72325477 MIFLNECTFWHREC-DEOSSOPVSA-N 439.943 3.606 0 40 IHAB Cc1cc(NC(=O)c2cc(Cl)c3cc(Cl)ccc3n2)n([C@H]2CCS(=O)(=O)C2)n1 96006685 RHPGQTWHJLMSCF-LBPRGKRZSA-N 439.324 3.658 0 40 IHAB Cc1ccc(-c2noc(CN3CCN([C@H](C)C(=O)NCCC4=CCCCC4)CC3)n2)cc1 96941300 IWYSIUINLZRYDM-HXUWFJFHSA-N 437.588 3.558 0 40 IHAB COc1ccccc1CC(=O)N1CCC(NC(=O)c2cc(C)ccc2N2CCCC2)CC1 97574135 ORPBEKNLMXHVIU-UHFFFAOYSA-N 435.568 3.567 0 40 IHAB CCOC(=O)c1ccc(N2C(=O)C[C@@H](SCC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 100095872 VLKDPADCSJKUKA-QGZVFWFLSA-N 446.912 3.521 0 40 IHAB CCCC(=O)N1CCCC[C@@H]1c1cc2nc3c(c(O)n2n1)CN(Cc1cccs1)CC3 100233800 JZSXEHXUSYCMBN-HXUWFJFHSA-N 439.585 3.908 0 40 IHAB CCOC(=O)c1cccc(NC(=O)[C@@H](CC)N(c2cccc(C)c2)S(C)(=O)=O)c1C 220518413 PCKFNFFEPDWYPF-HXUWFJFHSA-N 432.542 3.663 0 40 IHAB CCc1ccc(OCC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC)c(Br)c1 222476043 NNSLAWCFEJDQMI-INIZCTEOSA-N 447.373 3.862 0 40 IHAB CN(c1ccc(C(=O)NCCSCc2ccccc2F)c(Cl)c1)S(C)(=O)=O 222519546 DNBNSSCTUMRJIC-UHFFFAOYSA-N 430.954 3.538 0 40 IHAB CS(=O)(=O)N(CCCC(=O)Nc1ccccc1Br)c1ccccc1F 222651311 ZZURNXCOMGNHLY-UHFFFAOYSA-N 429.311 3.773 0 40 IHAB CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(OC)cc1 222731350 APJKNKWMCVFQDP-ZDUSSCGKSA-N 425.312 3.544 0 40 IHAB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NC(c1ccccc1)c1ccccc1 223823269 KZEXZPGGOOKGCZ-GOSISDBHSA-N 438.549 3.756 0 40 IHAB Cc1ccc(C)c(OCCNC(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)c1 224030079 DJKHSQTYWKAGFP-UHFFFAOYSA-N 438.977 3.698 0 40 IHAB CCOc1ccccc1NC(=O)CCc1cc(S(=O)(=O)N2CCCCC2)ccc1OC 224638493 CKFBNMZNBFXIJA-UHFFFAOYSA-N 446.569 3.840 0 40 IHAB COCCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1cc(OC)ccc1OC 224834260 OFBBKAWOVVLDPG-FCHUYYIVSA-N 438.553 3.724 0 40 IHAB COc1ncc([C@]2(O)CCC[C@@H]3CN(Cc4ccc(C(F)(F)F)cc4)C[C@H]32)c(OC)n1 247894771 UOMILIRNOLQPER-FQELHTAISA-N 437.462 3.632 0 40 IHAB CC(=O)Nc1ccc(C(=O)N2CCNC(=O)[C@@H]2Cc2cccc(-c3cccc(F)c3)c2)cc1 257215668 CRDNWRCIOJAZKC-DEOSSOPVSA-N 445.494 3.634 0 40 IHAB COc1ccc(Nc2ncccc2C(=O)N2CCN(C(C)=O)[C@H](c3ccccc3)C2)cc1 257257186 KOKMVTSWEQPOFE-QHCPKHFHSA-N 430.508 3.879 0 40 IHAB CN(CCC(=O)N1CCC[C@H]1c1cncc(Cc2cccc(F)c2)n1)Cc1ccccn1 257272116 NBCYGUXJGWSXOQ-DEOSSOPVSA-N 433.531 3.787 0 40 IHAB O=C(CN1CCCCCC1=O)N1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1OCCC[C@@H]12 257277986 OAGWGOWYDPAGFA-WMZHIEFXSA-N 446.975 3.964 0 40 IHAB CCCCc1ccc(NC(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1 408705135 YPXUORJXTVHRRM-UHFFFAOYSA-N 432.542 3.943 0 40 IHAB Cc1cc(Br)ccc1NC(=O)C[C@H]1C(=O)OCN1C(=O)OCc1ccccc1 408737892 PSOKOGOKAHYVSX-KRWDZBQOSA-N 447.285 3.608 0 40 IHAB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(OC)c3OC)C2=O)cc1 409089627 OHZTWFWDDTZHQL-LDADJPATSA-N 442.493 3.778 0 40 IHAB Cc1c(F)cccc1NC(=O)COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 409220452 ZWPITUSDGBVCNF-UHFFFAOYSA-N 432.407 3.730 0 40 IHAB Cc1ccccc1[C@H]1C(=O)NCCN1C(=O)c1cc2c(F)cc(Br)cc2[nH]1 680613381 QULULIJSQDHXQJ-SFHVURJKSA-N 430.277 3.691 0 40 IHAB Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)c(C)c1 2854571 JAQZWGSLZATAPI-UHFFFAOYSA-N 438.549 3.842 0 40 IHAB COc1ccccc1-c1nnc(SCC(=O)NC[C@H]2CCCO2)n1-c1ccc(C)cc1 3401796 DGGADUSHQYJREJ-GOSISDBHSA-N 438.553 3.639 0 40 IHAB Cc1ccc(N(CC(=O)NC2CCCCC2)C(=O)CNC(=O)c2cccs2)c(C)c1 4875806 RUJBZXWOOGFTEZ-UHFFFAOYSA-N 427.570 3.577 0 40 IHAB O=C(N[C@H]1CCN2C(=O)c3cc(-c4ccc(Cl)cc4)ccc3NC(=O)[C@H]12)C1CCCC1 8296662 JEXIPIBNJLFSPZ-SFTDATJTSA-N 437.927 3.849 0 40 IHAB biogenic,in-vitro COc1ccc(OC)c([C@@H]2CCCN2CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)c1 8719363 HKHQOGYRHGRNHW-KRWDZBQOSA-N 443.569 3.519 0 40 IHAB CCc1ccc(S(=O)(=O)NC[C@@H]2CN(c3ccc(Cl)c(Cl)c3)C(=O)O2)s1 8838504 AXJBEQWOQSPSBJ-LLVKDONJSA-N 435.354 3.921 0 40 IHAB O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)NC[C@@H]1COc2ccccc2O1 8966022 YFPVCAXMOSIUHS-QGZVFWFLSA-N 448.504 3.576 0 40 IHAB Cc1ccc(NC(=O)Cc2nc(COC(=O)Cc3ccc4c(c3)OCCO4)cs2)cc1 9119630 IIYFWHGLQYEDPS-UHFFFAOYSA-N 438.505 3.690 0 40 IHAB COc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)Nc1ccccc1-c1ccccc1 9120562 OEDARXXYNWWXJE-UHFFFAOYSA-N 439.537 3.663 0 40 IHAB NC(=O)c1c(NC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)sc2c1CCCC2 9516265 HWJZDKCXKTZTJJ-ZHACJKMWSA-N 437.565 3.616 0 40 IHAB Cc1ccc(C)c(C(=O)COC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c1 9665722 IKCQPAZVCIGFOU-IBGZPJMESA-N 435.929 3.536 0 40 IHAB COc1ccc(S(=O)(=O)Nc2cccc(-n3c(C)nc4ccccc4c3=O)c2)cc1C 9715045 RTFZQROSUYKAED-UHFFFAOYSA-N 435.505 3.812 0 40 IHAB O=C(CSc1nnnn1-c1ccccc1)N1c2ccccc2OC[C@@H]1c1ccccc1 9791997 AQCISWZZTWSOMV-HXUWFJFHSA-N 429.505 3.921 0 40 IHAB O=C(COC(=O)c1cc2c(s1)-c1ccccc1CC2)NCC(=O)Nc1ccc(F)cc1 9814891 FHVANDAQNTUARS-UHFFFAOYSA-N 438.480 3.565 0 40 IHAB O=C(CSc1nnc(CN2CCCCC2)n1-c1ccc(F)cc1)c1ccc(O)cc1O 9881181 VYRMVCANXDBPSX-UHFFFAOYSA-N 442.516 3.779 0 40 IHAB Cc1cccc(-n2c(C)cn3c4c(=O)n(C/C=C/c5ccccc5)c(=O)n(C)c4nc23)c1C 10271826 RRJHIJQLYBQNKG-UKTHLTGXSA-N 439.519 3.777 0 40 IHAB NC(=O)N1CC=C(c2ccc(OCC(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)CC1 11092151 LBPGIGYSYHZPIA-UHFFFAOYSA-N 435.402 3.771 0 40 IHAB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(C)C)n2[C@H](C)COC)c1 11478635 UJNVVPIZUNBBFG-MRXNPFEDSA-N 440.635 3.931 0 40 IHAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)OCC(=O)Nc2cc(C)nn2C)cc1 11502378 LODDACSPFZCPSC-UHFFFAOYSA-N 429.480 3.685 0 40 IHAB COc1cc(-c2nc(C)c(C(=O)N[C@H](CO)c3ccccc3)s2)cc(OC)c1OC 12408113 BEHSSYRENCDAKD-MRXNPFEDSA-N 428.510 3.608 0 40 IHAB COc1ccccc1N(CC(F)(F)F)C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1 12474250 VYWFFQLBVFZYOD-UHFFFAOYSA-N 425.798 3.598 0 40 IHAB CCOc1cc(/C=C/C(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)ccc1OC 12526667 YTXOSRNHAMECJJ-UXBLZVDNSA-N 426.488 3.798 0 40 IHAB O=C(CSc1nnc(C2CC2)o1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 12587671 FHYOJOYZNYVHIC-UHFFFAOYSA-N 428.436 3.533 0 40 IHAB CCCCN1C(=O)C[C@H](C(=O)OCC(=O)Nc2ccc(C)cc2)[C@H]1c1ccc(OC)cc1 12637501 SJIKCEDZCRHXOQ-XUZZJYLKSA-N 438.524 3.875 0 40 IHAB COc1ccc(CN2CCC[C@H](c3nn(CCNC(C)=O)c4ncccc34)C2)c(C)c1C 12671356 XOUGNCQKAJEJJE-NRFANRHFSA-N 435.572 3.572 0 40 IHAB Cc1cccc(-c2nnc(S)n2CC(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)c1 12752445 VEQNZDNZJKJCFS-OAHLLOKOSA-N 442.614 3.869 0 40 IHAB Cc1cc(NC(=O)[C@H](NS(=O)(=O)c2cccs2)C(C)C)ccc1Br 12775995 XCXVNABXDGKNGM-OAHLLOKOSA-N 431.377 3.761 0 40 IHAB CC(C)n1c(SCC(=O)Nc2nccs2)nnc1[C@@H](C)NC(=O)c1ccccc1 12851445 FITLXRQWRMCESC-CYBMUJFWSA-N 430.559 3.537 0 40 IHAB COCCN(Cc1nnc(-c2cccs2)o1)[C@@H](C(=O)N1CCCC1)c1ccccc1 12865425 MGWUPHWQDCDWJT-HXUWFJFHSA-N 426.542 3.610 0 40 IHAB CC1(C)NC(=O)N(CCC(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)C1=O 12903660 KIMCSOZYIQIRFN-UHFFFAOYSA-N 446.301 3.900 0 40 IHAB COc1ccc(C)cc1[C@@H](C)NC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1 12917425 ZMXMQXYFQAJCSP-QGZVFWFLSA-N 426.538 3.703 0 40 IHAB COc1cc(CNC(=O)Cn2cccc(C(F)(F)F)c2=O)ccc1OCc1ccccc1 12975989 UXEUJSGGLREKGS-UHFFFAOYSA-N 446.425 3.771 0 40 IHAB Cc1ccc([C@@H](c2nnnn2C2CCCCC2)N2CCN(C(=O)c3ccco3)CC2)cc1 13503730 QGZAJPICXKYPFR-QFIPXVFZSA-N 434.544 3.627 0 40 IHAB COc1ccc(Cn2nnnc2[C@H](C(C)C)N2CCN(c3cc(C)ccc3C)CC2)cc1 13504893 GSDZSGIGSSKZPE-DEOSSOPVSA-N 434.588 3.866 0 40 IHAB O=C(c1ccc(Br)cc1)N(Cc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 13749241 LSPCFHBFESVURZ-QGZVFWFLSA-N 442.762 3.932 0 40 IHAB COc1ccc(C(=O)NOCc2ccccc2)cc1S(=O)(=O)Nc1ccc(C)cc1 15026326 NJVAGXTWGNSXQH-UHFFFAOYSA-N 426.494 3.666 0 40 IHAB COc1ccc(N2CC(=O)N(c3ccc(Cl)cc3)[C@@H](c3cccnc3)C2=O)c(OC)c1 15413434 DJBSCEGPOVUTSN-QFIPXVFZSA-N 437.883 3.873 0 40 IHAB O=C(c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1)N1CCN(C(=O)C2CC2)CC1 15766241 VLCZNVLKJDUVMC-UHFFFAOYSA-N 434.927 3.887 0 40 IHAB O=C1CC[C@@]2(C(=O)OCc3c(F)cccc3Cl)N1c1ccccc1C(=O)N2C1CC1 17954382 XFVPUDAKFJAOAQ-QFIPXVFZSA-N 428.847 3.664 0 40 IHAB CC(C)(C(=O)N1CCNC(=O)[C@@H](Cc2ccc(-c3cccnc3)cc2)C1)c1ccc(F)cc1 19085042 OQPZHKMKILCZRV-QFIPXVFZSA-N 445.538 3.983 0 40 IHAB COc1ccc(-c2noc([C@@H]3CN(C(=O)COc4ccccc4C(C)C)CCO3)n2)cc1 19453389 LKBGQROLYDECSM-NRFANRHFSA-N 437.496 3.848 0 40 IHAB CCNC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CCCN(C(=O)c2cnccn2)C1 19528718 BTOMOQYAWURGIP-AREMUKBSSA-N 428.536 3.745 0 40 IHAB CN(C)C(=O)c1sc2ccccc2c1[C@@H]1CN(C(=O)Cc2ccccc2F)CCO1 19697728 YLXKMVZEKBSTBD-SFHVURJKSA-N 426.513 3.885 0 40 IHAB Cc1ncc(C(=O)N2CCC(c3ccc(C(=O)Nc4ccc(F)cc4)cn3)CC2)c(C)n1 19705832 WIKIPVFBHNJUGZ-UHFFFAOYSA-N 433.487 3.900 0 40 IHAB CNCc1cc(N(C)C)nc([C@H]2CCCN2C(=O)c2oc3ccc(Cl)cc3c2C)n1 19760500 PXQYKOJJBWPGRN-QGZVFWFLSA-N 427.936 3.947 0 40 IHAB COc1ccc(OC)c(NC(=O)c2sc3nc4c(cc3c2N)CN(C(C)C)CC4)c1 20289862 QXFALPUOGKUGDE-UHFFFAOYSA-N 426.542 3.915 0 40 IHAB Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccccc1)N(CCCN1CCOCC1)C3=O 20308754 OYPUXNZYARGQLL-QHCPKHFHSA-N 432.520 3.677 0 40 IHAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1nn(Cc2ccc(Cl)cc2)cc1Br 20606140 YNNLIBKIVHOOEB-VZAMPYOESA-N 432.705 3.659 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCC(C)C)c2ccc(Br)cc2)cc1 22276359 RIKFNHGTCOIFNE-UHFFFAOYSA-N 439.375 3.725 0 40 IHAB CCOc1ccccc1N1CCN(S(=O)(=O)c2ccc(Br)c(C)c2)CC1 22307302 XGOOUKMMXNUFBQ-UHFFFAOYSA-N 439.375 3.667 0 40 IHAB C[C@@H](NC(=O)CSc1nnc2c(Cl)cc(Cl)cn12)c1ccc2c(c1)OCO2 23565076 YTMDZORGXRSVQK-SECBINFHSA-N 425.297 3.734 0 40 IHAB Cc1[nH]c(SCC(=O)N2CCN(Cc3cccs3)CC2)nc1Cc1ccccc1 23872951 PLNIDIJXLLFRGF-UHFFFAOYSA-N 426.611 3.807 0 40 IHAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cc(-c4ccccc4)on3)cc2)n1 27580833 PVYAFRZLWOTEQJ-UHFFFAOYSA-N 449.492 3.802 0 40 IHAB O=C(Nc1ccc(N2CCOCC2)cc1)c1cccc(NS(=O)(=O)c2ccccc2)c1 27633083 FJLXTDDSCYIABZ-UHFFFAOYSA-N 437.521 3.576 0 40 IHAB O=C(C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)N1CCOc2ccccc21 30577455 IPKRCTYLPKTLNQ-UHFFFAOYSA-N 436.533 3.666 0 40 IHAB O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)NCCc1ccccc1 33525494 OXTFCANFICTLPD-UHFFFAOYSA-N 444.940 3.879 0 40 IHAB COc1ccc(/C=C2\SC(=O)N(CCC(=O)NCCc3c[nH]c4ccccc34)C2=O)cc1 33538984 FMHGSFHMLCYQNI-STZFKDTASA-N 449.532 3.962 0 40 IHAB COc1cc(-c2nnc(SCC(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)o2)cc(OC)c1OC 36407346 JBIHSSCTJIOUBJ-UMVBOHGHSA-N 435.546 3.795 0 40 IHAB C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)OCc1nc(-c3ccccc3)cs1)C2=O 40114567 UJMJVKVWMGVIOJ-CMJOXMDJSA-N 441.553 3.990 0 40 IHAB CC(C)(CN1C(=O)[C@H](Oc2ccccc2F)[C@H]1c1cc(F)ccc1F)N1CCOCC1 48235805 TZAAKXZSNYLUQE-NHCUHLMSSA-N 434.458 3.546 0 40 IHAB CCOc1ccc(CNC(=O)c2c(S(=O)(=O)Nc3ccc(Cl)cc3)n[nH]c2C)cc1 49003432 SEZODVHWPCJUNX-UHFFFAOYSA-N 448.932 3.501 0 40 IHAB CC[C@@H]1CCCCN1C(=O)Cn1c(=O)n(-c2ccc(C)cc2C)c(=O)c2sccc21 57492917 LRDCBTFUICZKMJ-QGZVFWFLSA-N 425.554 3.622 0 40 IHAB Cc1cccc(N(C)C(=O)Cn2c(=O)n(CCc3cccs3)c(=O)c3sccc32)c1 57494044 GJTOYPSOBAYBGT-UHFFFAOYSA-N 439.562 3.500 0 40 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436.961 3.890 0 40 IHAB CC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1 408713882 BWMHVNDPJBUVFL-UHFFFAOYSA-N 442.541 3.813 0 40 IHAB COc1cc(/C=C2/NC(=O)N(C)C2=O)cc(Br)c1OCc1ccccc1F 409189003 MNROBLCXYLBMHM-OVCLIPMQSA-N 435.249 3.698 0 40 IHAB COc1ccc(NC(=O)CCc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1OC 409245519 VCPZJVNDBOLDEG-UHFFFAOYSA-N 446.569 3.886 0 40 IHAB O=C(NCc1ccc(F)cc1)c1nnc(CN2CCO[C@H](c3ccccc3Cl)C2)s1 507820330 ZXLYIHIFFNXZHD-SFHVURJKSA-N 446.935 3.834 0 40 IHAB CCCN1CCN(C(=O)C2CCNCC2)C[C@H](Cc2ccccc2-c2ccccc2)C1=O 585172784 VSPPQQLPBJOOBD-DEOSSOPVSA-N 433.596 3.593 0 40 IHAB CN(Cc1ccc(F)cc1)[C@H]1[C@H](NC(=O)OC(C)(C)C)C[C@@H](Oc2ccccc2)[C@@H]1O 585262453 QJPWGODVNBNYBI-CZYKHXBRSA-N 430.520 3.732 0 40 IHAB COc1cc(CN(C)C[C@H](O)COc2ccc(C)cc2C)ccc1OCCCN(C)C 585270738 APBKOJBRONAOSM-QFIPXVFZSA-N 430.589 3.514 0 40 IHAB Cn1c(=O)c2c(nc(Oc3ccccc3F)n2Cc2c(Cl)cccc2Cl)n(C)c1=O 1424642 SMSMNMSMKXGLMA-UHFFFAOYSA-N 449.269 3.720 0 40 IHAB 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JQKFWICPKFKDIT-UHFFFAOYSA-N 442.880 3.752 0 40 IHAB COc1ccc(CCNc2nccn(-c3ccc(Br)cc3)c2=O)cc1OC 10273189 YBFJMAQBTHYWSR-UHFFFAOYSA-N 430.302 3.667 0 40 IHAB Cc1cc(-n2c(C)cc(C(=O)COC(=O)c3ccc4c(c3)NC(=O)[C@H](C)S4)c2C)no1 10985152 RAYCRNNBEHZTBY-AWEZNQCLSA-N 439.493 3.863 0 40 IHAB O=C(O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)c2ccccc12 11635068 VMEKKOVMEVEEFS-QGZVFWFLSA-N 434.311 3.577 0 40 IHAB COc1ccc(CN2CCN(c3c(F)cccc3[C@H](O)c3ccccn3)CC2)cc1OC 12089672 BUDCIKFBOSXSKU-VWLOTQADSA-N 437.515 3.642 0 40 IHAB Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)c2nn(CC(C)C)c3ncccc23)c(=O)[nH]1 12236334 NLFYLXOISQEQHX-NRFANRHFSA-N 429.524 3.798 0 40 IHAB COc1ccc(-c2nc(C(=O)N3CCN(c4ccccc4F)CC3)cs2)cc1OC 12564134 LVSHTQLFUXALOA-UHFFFAOYSA-N 427.501 3.929 0 40 IHAB COc1ccc(-c2nc(CC(=O)N3CCN(Cc4ccccc4F)CC3)cs2)cc1 12600611 SCVDYOMKSUIWFM-UHFFFAOYSA-N 425.529 3.845 0 40 IHAB COc1ccc(C(=O)NCCN(C(C)C)C(C)C)cc1S(=O)(=O)Nc1ccc(C)cc1 12736266 GBCRJSQPYTWUET-UHFFFAOYSA-N 447.601 3.653 0 40 IHAB O=C(CSc1nnnn1C1CC1)N(C/C=C/c1ccccc1)c1ccc2c(c1)OCCO2 12815781 OGBDMLKCQDNKON-QPJJXVBHSA-N 449.536 3.618 0 40 IHAB COc1ccccc1NC(=O)c1ccc(NC(=O)CN2C(=O)CCOc3ccccc32)cc1 12821832 UYXTWXPUVSFJIJ-UHFFFAOYSA-N 445.475 3.702 0 40 IHAB Cc1sc(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)nc1-c1ccc(F)cc1 12879899 OSGYPVRXVHYRSU-UHFFFAOYSA-N 431.514 3.832 0 40 IHAB COc1ccc(S(=O)(=O)Nc2cc(-c3nnc4n3CCCCC4)c(F)cc2F)cc1 13009562 NUPUDJHLIOSETP-UHFFFAOYSA-N 434.468 3.759 0 40 IHAB CCn1c(SCC(=O)N[C@H]2CCN(Cc3ccccc3)C2)nnc1-c1cccs1 13010141 VDATXUAKAJHTPL-KRWDZBQOSA-N 427.599 3.509 0 40 IHAB CCCCCOc1ccc(NC(=O)[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]3OC(C)(C)O[C@H]23)cc1 13102288 KOTQDXOXUNHJPR-HMPZBHLVSA-N 435.517 3.591 0 40 IHAB biogenic O=C1COc2ccc(C(=O)CSc3nnc(Cc4cccs4)n3C3CC3)cc2N1 13164994 MZGQOEMDSHJCOW-UHFFFAOYSA-N 426.523 3.571 0 40 IHAB COc1ccc(C(=O)Nc2nnc([C@H]3CC(=O)N(c4ccccc4C)C3)s2)cc1OC 13942528 RRPZBNQNONFUGH-HNNXBMFYSA-N 438.509 3.637 0 40 IHAB CCn1c(CCC(N)=O)nnc1SCc1cn(-c2ccccc2)nc1-c1ccccc1 14196765 KBFGTOQPEXXUPE-UHFFFAOYSA-N 432.553 3.861 0 40 IHAB Cc1c(C(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)oc2ccccc12 15575555 GRWHIJNKJDSMKG-UHFFFAOYSA-N 448.910 3.903 0 40 IHAB Cc1nnc(SCc2ccccc2)n1NC(=S)NC(=O)Cc1ccc(Cl)cc1 17097769 LVZWYNXVWBKZEO-UHFFFAOYSA-N 431.974 3.720 0 40 IHAB CCOc1ccc(-c2noc(C3CCN(S(=O)(=O)c4ccc(OC)cc4)CC3)n2)cc1 17314983 LZVNRTOSMBIKJQ-UHFFFAOYSA-N 443.525 3.712 0 40 IHAB CCOC(=O)C1CCN(C(=S)SCC(=O)c2ccc(Br)cc2)CC1 18195120 FFEHOCIGCQYWBV-UHFFFAOYSA-N 430.389 3.925 0 40 IHAB COCC(=O)N1CC[C@](Cc2cccc(-c3ccc(F)cc3)c2)(C(=O)NC(C)(C)C)C1 19082882 IHALWOWPCKMKPQ-RUZDIDTESA-N 426.532 3.815 0 40 IHAB CC(C)C(=O)N1CCCc2cc([C@H](O)CN3CCC(O)(c4ccc(F)cc4)CC3)ccc21 19085717 ZFEVQEPZBCSIQT-XMMPIXPASA-N 440.559 3.778 0 40 IHAB Cc1cc2c(cc1Cl)[C@H](O)CC1(CCN(C[C@H](O)c3ccc4c(c3)OCCO4)CC1)O2 19125705 MHVWYIMKKQNNBI-UXHICEINSA-N 445.943 3.804 0 40 IHAB Cc1ccc(C(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CN(Cc2sccc2C)CC3)cc1 19135338 CLNQOWDAQQOORF-OAQYLSRUSA-N 448.592 3.984 0 40 IHAB CN(C)c1cccc(C(=O)N2CCCC[C@@H]2c2nc(O)c3c(n2)CN(C2CCCC2)CC3)c1 19585049 KZJCSONGBVUGLE-HSZRJFAPSA-N 449.599 3.916 0 40 IHAB COCCNC(=O)c1sc2ncccc2c1[C@@H]1CCN(C(=O)CC2CCCCC2)C1 19702367 QGIBYBSCNVZPJJ-QGZVFWFLSA-N 429.586 3.959 0 40 IHAB Cc1noc(C)c1CC(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccccc2F)CC1 19747100 AZZKREDQQRVREQ-QHCPKHFHSA-N 441.547 3.835 0 40 IHAB O=C(Nc1cccc(Br)c1)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 19857103 SQZWJVAJCIFUFW-MRXNPFEDSA-N 437.359 3.630 0 40 IHAB COc1ccc([C@H](CC(C)C)NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc1 20108167 CYQFERRRMINTME-NRFANRHFSA-N 432.586 3.982 0 40 IHAB CCC[C@@]1(C(=O)OCC)N[C@@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 20150566 OIKYCLFXMWKDDE-AIFLQVKLSA-N 438.499 3.686 0 40 IHAB CSc1nc(N2CCN(CCO)CC2)c2sc3nc(C(C)C)c4c(c3c2n1)CCC4 20357475 LCWQBPJZPSEVHM-UHFFFAOYSA-N 443.642 3.688 0 40 IHAB C[C@H](NC(=O)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1)c1ccc(F)cc1 20460085 LFYQAMIUVZWLGB-SFHVURJKSA-N 432.561 3.678 0 40 IHAB COc1nc(SC)nc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 20462883 WHBVLGBAUQVBMK-UHFFFAOYSA-N 432.571 3.658 0 40 IHAB CC(=O)Nc1ccc(C)cc1-c1nnc(SCC(=O)Nc2cccc(C)c2C)nc1O 21882693 HBERKKPZVWEGFH-UHFFFAOYSA-N 437.525 3.859 0 40 IHAB CCOC(=O)c1ccc(C)c(NC(=O)CN(c2c(C)cc(C)cc2C)S(C)(=O)=O)c1 22395839 GCMMYJVTSREWJU-UHFFFAOYSA-N 432.542 3.502 0 40 IHAB CCOc1ccccc1CNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1cccs1 22396806 IEWVKGPLIVJKSM-UHFFFAOYSA-N 448.541 3.798 0 40 IHAB CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN[C@@H](C)c2ccc(Cl)cc2Cl)C1=O 24808727 YLZHKBWWIKLMTL-YEJXKQKISA-N 449.338 3.533 0 40 IHAB Cn1cc(C(=O)N2CCC(C(=O)c3ccccc3)CC2)c(-c2ccc3c(c2)OCCCO3)n1 25911955 XWMYNJBHKUNEAX-UHFFFAOYSA-N 445.519 3.984 0 40 IHAB COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(OC(=O)c2ccccc2C)cc1 26963175 NIEFVEHXFIPNGQ-UHFFFAOYSA-N 435.476 3.795 0 40 IHAB C[C@@H](Oc1ccc(F)cc1Br)C(=O)NCc1cccc(Cn2ccnc2)c1 32648808 ODEBALRPOYXJDS-CQSZACIVSA-N 432.293 3.917 0 40 IHAB CCCCCn1c(SCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)nc2ccccc21 32910720 PJNMRLHKPCZMEN-UHFFFAOYSA-N 443.573 3.605 0 40 IHAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc(Cl)ccc2N2CCCC2)C1=O 32970844 NPIKUFTZJXZHNM-HSZRJFAPSA-N 440.931 3.736 0 40 IHAB O=S(=O)(NCCCN1CCO[C@@H](c2ccccc2)C1)c1cc(Cl)ccc1Cl 36700237 UXJQMZBWHJKVER-GOSISDBHSA-N 429.369 3.735 0 40 IHAB Cc1ccnc(NC(=O)C2CCN(C(=O)Cc3csc(-c4ccsc4)n3)CC2)c1 40147010 CFVZQHXTNIIQOR-UHFFFAOYSA-N 426.567 3.995 0 40 IHAB COc1ccc(NC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3C(C)C)cc1Cl 40283209 TVAWPZDXCSAEHQ-QFIPXVFZSA-N 427.888 3.675 0 40 IHAB CCc1nn2c(nnc3c(=O)n(NC(=O)c4ccccc4)ccc32)c1-c1ccc(Cl)cc1 40395933 OFRKMLWUSIEWKQ-UHFFFAOYSA-N 444.882 3.706 0 40 IHAB CCOC(=O)c1ccc(NC(=O)c2cc3cc(N(C)S(C)(=O)=O)ccc3s2)cc1 46058074 XSYUBRKCVGLLRO-UHFFFAOYSA-N 432.523 3.726 0 40 IHAB O=C(CN1CCN(C(=O)Oc2ccccc2)CC1)N[C@H](Cc1ccccc1)c1ccccc1 48310735 XBRYKDLPUBIEQQ-RUZDIDTESA-N 443.547 3.903 0 40 IHAB C[C@H]1CN(c2ccccc2NC(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)C[C@@H](C)O1 48324515 SLRWYSOQLIGTMR-JQVVWYNYSA-N 436.556 3.785 0 40 IHAB CCN(Cc1ccc(Cl)s1)C(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12 58391772 GUTKDPVIKGLPGO-UHFFFAOYSA-N 441.987 3.675 0 40 IHAB COc1ncc([C@]2(O)CC[C@H]3CN(Cc4ccc(-c5ccccc5)cc4)C[C@H]32)c(OC)n1 72392604 JHKYWSZGBUYJAL-POGFHVCPSA-N 431.536 3.890 0 40 IHAB CC(=O)Nc1ccc(S(=O)(=O)NC[C@@](C)(O)c2ccc(-c3ccccc3)cc2)c(C)c1 77102255 NSMBELFUOOHMJI-XMMPIXPASA-N 438.549 3.806 0 40 IHAB CCOc1ccc(-c2nc(NC(=O)c3cn(CC(=O)C(C)(C)C)nn3)sc2C)cc1 78899719 NBTFTIILQBHUQH-UHFFFAOYSA-N 427.530 3.976 0 40 IHAB O=C(Nc1ccc2[nH]nnc2c1)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 79021388 RXLKLKOQFQCDOB-UHFFFAOYSA-N 427.873 3.664 0 40 IHAB O=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CCN(Cc2cccc3cccnc23)CC1 84493846 BGWCMTKOCCUWGR-XMMPIXPASA-N 431.536 3.751 0 40 IHAB COc1cccc([C@@H](C)CC(=O)N2CCN([C@H]3CCCN(c4ccccc4)C3=O)CC2)c1 95998353 RCMHMQNDLPYSSU-RDPSFJRHSA-N 435.568 3.529 0 40 IHAB COc1cccc(C(=O)N(CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c2ccccc2C)c1 100394869 YHRFHSKJRRFPRY-JKNQRQLFSA-N 442.515 3.661 0 40 IHAB Cc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(Br)cc2)cc1C 139023940 QQSBGXSGEZJZGA-UHFFFAOYSA-N 433.302 3.967 0 40 IHAB O=C(c1cc(-c2ccc(F)cc2)c[nH]1)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 220863174 VOOLLAXONXVXGF-HNNXBMFYSA-N 432.459 3.756 0 40 IHAB CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N(C)c2ccccc2)C1 222609626 JMXASKFJIHAUQV-MRXNPFEDSA-N 436.961 3.802 0 40 IHAB CC[C@@H](C(=O)NCc1ccc2ccccc2c1)N(c1ccc(OC)cc1)S(C)(=O)=O 222808537 QGAQCBZZWZRFFJ-QFIPXVFZSA-N 426.538 3.709 0 40 IHAB CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc2c(c1)OCCO2 222931533 MNJLMBYBYFSOSN-INIZCTEOSA-N 430.932 3.597 0 40 IHAB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2nccs2)c1C 223042196 YBEXVLIWRZDPAL-OALUTQOASA-N 427.599 3.955 0 40 IHAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(F)cc1 223128325 QELWTJCLFNNSBM-XMMPIXPASA-N 434.511 3.981 0 40 IHAB COCCNc1ccc(C(=O)OC(C)C)cc1S(=O)(=O)Nc1ccc(Cl)cc1 223424897 QEOFDCXVKIPWQP-UHFFFAOYSA-N 426.922 3.764 0 40 IHAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccccc1OC 223834346 FRFPTYZUXGRITE-AWEZNQCLSA-N 439.339 3.934 0 40 IHAB Cc1ccccc1OCCNC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1C 224100926 SZDASGRMLJPOIM-UHFFFAOYSA-N 430.570 3.677 0 40 IHAB CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1cc(C)cc(C)c1C 225031971 SURUSOXVBPOXAO-HXUWFJFHSA-N 426.557 3.943 0 40 IHAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)n1C 225587673 YYFSGIPSANKTGN-FGZHOGPDSA-N 437.544 3.869 0 40 IHAB Cc1cc(C(=O)Nc2nnc(SCc3ccccc3)s2)ccc1NS(C)(=O)=O 225700618 NCOHZTCFRRMBHF-UHFFFAOYSA-N 434.568 3.763 0 40 IHAB Cc1ccc(N([C@@H](C)C(=O)Nc2nnc(SCC(C)C)s2)S(C)(=O)=O)cc1C 225717541 PSWBVXBTWIDPKI-AWEZNQCLSA-N 442.632 3.696 0 40 IHAB CC[C@H](NC(=S)Nc1cccc(N(C)S(C)(=O)=O)c1)c1ccc(OC)c(OC)c1 225719468 XWFKEZYKISQWKN-KRWDZBQOSA-N 437.587 3.537 0 40 IHAB Cc1cccc(CN2CC[C@H](c3nc(C)c(CC(=O)NCc4ccc(F)cc4)c(C)n3)C2)n1 257211037 BXHHTKRJXPTJEL-NRFANRHFSA-N 447.558 3.784 0 40 IHAB CC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N(C)C(=O)CCc2ccc(F)cc2)CC1 257227201 FOBXAKJUJRCKOZ-DGWZTRNLSA-N 440.559 3.594 0 40 IHAB CC1(C)C=C(CC(=O)N2CCO[C@H](c3ccc(Nc4ccccn4)cn3)C2)CC(C)(C)N1 257278228 OBJDPADDEPJTHG-NRFANRHFSA-N 435.572 3.987 0 40 IHAB CC(=O)OC[C@]12CC[C@@H]3[C@H](C(=O)C[C@H]4C[C@H](OC(C)=O)CC[C@@]43C)[C@@H]1C[C@@H](OC(C)=O)C2 257349949 SUMWMGNUBMBBTF-QAVOGFTDSA-N 448.556 3.615 0 40 IHAB COCCCNC(=S)Nc1nc(N2Cc3ccccc3C2)cc(N2CCC[C@H](C)C2)n1 260737458 KFSLCYHFYNGHQV-KRWDZBQOSA-N 440.617 3.556 0 40 IHAB CC(C)Oc1cccc(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1 408611148 SDOTXHPLTZDDIP-UHFFFAOYSA-N 430.448 3.897 0 40 IHAB CCCNC(=O)c1cc(S(=O)(=O)Nc2cc(OC)c(Cl)cc2OC)ccc1C 408625356 SFYUAHCBLOFFJA-UHFFFAOYSA-N 426.922 3.606 0 40 IHAB Cc1ccc(OCc2nc(CC(=O)N3CCC(O)(Cc4ccncc4)CC3)cs2)cc1 539923856 KJHNBPRPYLPASS-UHFFFAOYSA-N 437.565 3.564 0 40 IHAB O=C(NCc1cccnc1)[C@H]1OC2(CCN(C(=O)c3cccs3)CC2)c2ccccc21 585109783 UHRFDRPNKPQPAK-NRFANRHFSA-N 433.533 3.662 0 40 IHAB Cc1ncccc1C(=O)N1CCN(C)C(=O)[C@@H]1Cc1ccccc1-c1cc(F)cc(F)c1 1848351840 YKFSJCWNPARFPV-QHCPKHFHSA-N 435.474 3.861 0 40 IHAB Cc1ccc(C(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)o2)cc1 901845 HDVAQNWGNLJCIB-UHFFFAOYSA-N 443.550 3.805 0 40 IHAB CCOC(=O)c1ccc(N2C(=O)C[C@H](SCC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 985072 VLKDPADCSJKUKA-KRWDZBQOSA-N 446.912 3.521 0 40 IHAB CCCN1C(=O)[C@](O)(CC(=O)c2ccc(OC)c(OC)c2)c2cc(Br)ccc21 2205397 RNQDQMDGHBXUFC-NRFANRHFSA-N 448.313 3.684 0 40 IHAB CCOC(=O)c1c(C2CC2)csc1NC(=O)COC(=O)c1cc(=O)c2ccccc2o1 3472181 JLWNXYSWNVUXCP-UHFFFAOYSA-N 441.461 3.704 0 40 IHAB Cc1cc(NC(=O)CSc2nc3ccccc3n2CC(=O)N2C[C@H](C)C[C@@H](C)C2)no1 4083363 FHERHKIMXQIVCA-HUUCEWRRSA-N 441.557 3.568 0 40 IHAB O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(Cc2ccc(F)cc2)C1)c1ccc(F)cc1 4260344 YMEPIGHZKZPGJI-PKOBYXMFSA-N 435.474 3.998 0 40 IHAB biogenic,in-vitro O=C(Nc1ccc(Cl)cc1Cl)[C@H]1C(=O)C(=O)N(c2ccc(Cl)cc2Cl)C1=O 5722689 ZTRQDADQTQQVSH-CYBMUJFWSA-N 446.073 3.997 0 40 IHAB CCOC(=O)C(=O)Nc1cc(OCC)c(NC(=O)c2ccccc2Cl)cc1OCC 6600309 NROGNNBXESLEPH-UHFFFAOYSA-N 434.876 3.891 0 40 IHAB CCc1nnc(NC(=O)CSc2cc(C)nc(SCC(=O)c3ccccc3)n2)s1 6860879 FVWVYBCEMBMHIX-UHFFFAOYSA-N 445.595 3.905 0 40 IHAB CC(C)CNC(=S)NC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2ccc(F)cc2)nn1C 8635449 MXNKGBWAKUHJDX-SXLOBPIMSA-N 429.609 3.524 0 40 IHAB biogenic,in-vitro O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)NC(=O)c1ccc(OC(F)F)cc1 8824858 URCREVXRIPGVJR-UHFFFAOYSA-N 444.463 3.795 0 40 IHAB Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(Br)o2)C[S@](=O)C3)c(C)c1 8884917 IGBPLLNEIKFGEC-AREMUKBSSA-N 434.315 3.859 0 40 IHAB COc1cccc(-c2nn(CC(=O)N3CCCc4ccccc43)c(=O)c3nc(C)sc23)c1 8955863 NAJXLMVFMVYPCP-UHFFFAOYSA-N 446.532 3.816 0 40 IHAB Cc1nnc(NC(=O)[C@H](C)Sc2nnc(COc3ccc4c(c3)CCCC4)n2C)s1 9304132 IPUHGHFZBXLXBU-LBPRGKRZSA-N 444.586 3.552 0 40 IHAB Cc1coc2cc3oc(=O)c(CC(=O)Nc4ccc(Cn5cncn5)cc4)c(C)c3cc12 9306540 XUXSQNFJEQYVHM-UHFFFAOYSA-N 428.448 3.977 0 40 IHAB CCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3cccc(C(=O)O)c3)c(OC)c2)C1=O 9323846 SUFUGSLIFYMBLX-CXUHLZMHSA-N 430.844 3.538 0 40 IHAB Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)N3CCN(c4ccccn4)CC3)c(C)c12 9340295 VEKATDFAFLOHAD-UHFFFAOYSA-N 431.492 3.751 0 40 IHAB O=C(CCSc1nnc(CNC(=O)c2ccco2)n1-c1ccccc1)Nc1ccccc1 9426864 RAGLVNJKHQQEIL-UHFFFAOYSA-N 447.520 3.911 0 40 IHAB COCCNC(=O)COC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc12 9716012 QBKZYCSRGZMWDZ-UHFFFAOYSA-N 443.297 3.584 0 40 IHAB COc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3F)n2-n2cccc2)cc1 9737956 VJEZPKMDBKUMNM-UHFFFAOYSA-N 437.500 3.860 0 40 IHAB O=C(CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)N1CC[C@H]2CCCC[C@H]2C1 9764403 WGIFTAYATGWLIM-OLZOCXBDSA-N 438.899 3.676 0 40 IHAB CCOc1ccc(NC(=O)Cc2csc(NS(=O)(=O)c3ccc(C)cc3)n2)cc1 9828588 LXNJOFYPNCXJMP-UHFFFAOYSA-N 431.539 3.832 0 40 IHAB COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)N1CCc2ccccc2C1 9835253 JDKXHSMNUJFIRD-UHFFFAOYSA-N 448.544 3.645 0 40 IHAB Cc1cc(C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)[C@@H](C)Cn3nc(C)cc3C)cc2n1 12230685 QFOFGEKEJSPALM-SJCJKPOMSA-N 434.466 3.870 0 40 IHAB O=C(CCCc1c[nH]c2ccccc12)N1CCN(C(=O)c2ccc(Br)o2)CC1 12391075 SAAFSRNWYKJHRL-UHFFFAOYSA-N 444.329 3.831 0 40 IHAB CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)N1CCN(c2cccc(Cl)c2)CC1 12562694 IVVZKZATZGQWOE-SFHVURJKSA-N 442.991 3.510 0 40 IHAB C[C@H](OC(=O)c1ccccc1COc1ccccc1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 12736802 ADNUMCHGQUMZLQ-HNNXBMFYSA-N 431.448 3.619 0 40 IHAB COc1cc(CN(C)C(=O)c2sc3nc4n(c(=O)c3c2C)CCC4)ccc1OC(F)F 12855474 BXSGVWNVCHZFLL-UHFFFAOYSA-N 449.479 3.595 0 40 IHAB Cc1ccc(-c2nnc(SCC(=O)NCC3(N4CCOCC4)CCCCC3)o2)cc1C 12886719 NYUKQPNXHHJQSD-UHFFFAOYSA-N 444.601 3.597 0 40 IHAB C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)C(=O)NC(=O)NC(C)(C)C 12993516 USUPSCSYUUHRMM-LBPRGKRZSA-N 426.546 3.866 0 40 IHAB COc1ccc(OC[C@@H](O)CN2CCN(c3ccc(C(C)=O)cc3)CC2)c(C(C)(C)C)c1 13145919 HUNSFKVPFRDKDJ-QFIPXVFZSA-N 440.584 3.757 0 40 IHAB COc1ccc(C([C@@H]2C(=O)Nc3ccccc3C2=O)[C@@H]2C(=O)Nc3ccccc3C2=O)cc1 13148006 FTXPRGHYLBJECD-VXKWHMMOSA-N 440.455 3.681 0 40 IHAB CCCCCN1C(=O)NC(=O)[C@@]2(Cc3cc4cc(C)ccc4nc3N3CCCC[C@@H]32)C1=O 13576782 KMGLCUSCTIDFPJ-NLFFAJNJSA-N 434.540 3.713 0 40 IHAB O=C1[C@@H](Cc2nc3ccccc3c(=O)n2CCCO)c2ccccc2N1Cc1ccccc1 13592497 YXIFIVNPUXODPC-QFIPXVFZSA-N 439.515 3.652 0 40 IHAB CC[C@H](C(=O)Nc1ccc(Br)c(C)c1)N(c1ccccc1)S(C)(=O)=O 13711298 BQSIBLLKKRHPTI-QGZVFWFLSA-N 425.348 3.941 0 40 IHAB COc1ccc(Cn2nnnc2SC[C@H](O)COc2c(Cl)cccc2Cl)cc1 14238351 DPINUIHTJIANJN-CYBMUJFWSA-N 441.340 3.569 0 40 IHAB CCCCc1c(-c2ccccc2)n(-c2ccc(F)cc2)c2nc3c(c(=O)n(C)c(=O)n3C)n12 15081565 ZOPOOVGGZKLWPG-UHFFFAOYSA-N 445.498 3.824 0 40 IHAB CCCn1c(NC(=O)[C@H](NC(=O)c2cc(OC)cc(OC)c2)C(C)C)nc2ccccc21 16043688 SJERCWNXOBZDAK-OAQYLSRUSA-N 438.528 3.857 0 40 IHAB O=C(NCCc1ccccc1)NC[C@H]1CCC[C@@H](CNC(=O)NCCc2ccccc2)C1 16479280 WMFJXRDYGRRLCB-PSWAGMNNSA-N 436.600 3.877 0 40 IHAB O=C(NCc1ccc2c(c1)OCCO2)C1CCN(C(=O)c2cccc3ccccc23)CC1 17860617 MBKYWIDMGZLCML-UHFFFAOYSA-N 430.504 3.780 0 40 IHAB O=C(C[C@@H]1CCCCO1)N1CCCC[C@@H]1c1nc(O)c2c(n1)CN(C1CCCCC1)CC2 19014872 WXPNYVUTICKDGZ-SIKLNZKXSA-N 442.604 3.886 0 40 IHAB Cc1cccc(C2(O)CCN(C[C@H](O)c3ccc4c(c3)CCCN4C(=O)C(C)C)CC2)c1 19234502 IGMHLHXORZPCBK-VWLOTQADSA-N 436.596 3.947 0 40 IHAB C[C@H]1CCC[C@H](C)N1C(=O)c1c[nH]nc1C1CCN(C(=O)c2cccc(N(C)C)c2)CC1 19496076 AIQIMYPXQFHGAE-ROUUACIJSA-N 437.588 3.899 0 40 IHAB CC(C)N1CCc2c(O)nc([C@H]3CCCCN3C(=O)c3ccc4c(c3)C[C@H](C)O4)nc2C1 19497954 CLVONTLHCYZYFV-HRAATJIYSA-N 436.556 3.640 0 40 IHAB CCNC(=O)[C@]1(Cc2ccccc2-c2cccc(C)c2)CCN(C(=O)c2ccc(N)nc2)C1 19529011 JHLATBSWLHNDIB-MHZLTWQESA-N 442.563 3.850 0 40 IHAB COc1ccc(CN2CCCC[C@@H]2c2cc(O)nc(-c3ccncc3)n2)c(OC)c1OC 19552770 LFEGLICVOBXTLC-LJQANCHMSA-N 436.512 3.997 0 40 IHAB Cc1cc(C)cc(O[C@@H](C)C(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[nH]3)CC2)c1 19569689 ZVAINYSPAAAIMY-INIZCTEOSA-N 438.553 3.684 0 40 IHAB CNC(=O)[C@]1(Cc2ccc(-c3ccccc3)cc2)CCCN(C(=O)Cc2cccnc2)C1 19591145 FIIDKGXTHKFKHY-MHZLTWQESA-N 427.548 3.889 0 40 IHAB Cc1ccc(N2C(=O)C[C@@H](N3CCN(Cc4ccc(Cl)cc4)CC3)C2=O)cc1Cl 20029114 XUSFXPXSULHEJY-HXUWFJFHSA-N 432.351 3.752 0 40 IHAB CCc1ccccc1N(CC(=O)NCc1ccc(F)cc1)S(=O)(=O)c1ccccc1 20456608 RHDAMIRNMGGCGP-UHFFFAOYSA-N 426.513 3.900 0 40 IHAB CCCCN1C(=O)[C@H](C(=O)OCC)[C@H](c2ccc(O)c(OC)c2)n2c1nc1ccccc12 20675315 WFXBVQPFNPKRNQ-RTWAWAEBSA-N 437.496 3.666 0 40 IHAB Cc1ccc(-c2cnc(CCC(=O)Nc3nc(CN4CCOCC4)cs3)o2)cc1C 21129663 YEPMDDUWIPREFC-UHFFFAOYSA-N 426.542 3.818 0 40 IHAB CCOC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2NC(=O)c2ccccc2)cc1 22029358 JGLXGFNCZVGRFY-UHFFFAOYSA-N 446.459 3.911 0 40 IHAB CS(=O)(=O)N(Cc1ccccc1F)c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 22233527 XJWPRNRVVULTMF-UHFFFAOYSA-N 446.475 3.949 0 40 IHAB CCn1c(SCC(=O)Nc2cccc(NC(C)=O)c2)nc2c([nH]c3ccccc32)c1=O 22627969 VPHPZBYBYZXSRS-UHFFFAOYSA-N 435.509 3.587 0 40 IHAB COc1ccc(CCNC(=O)Cc2cc(O)nc(SCc3ccccc3F)n2)cc1 23138353 OPPUVQXRYJCTLN-UHFFFAOYSA-N 427.501 3.524 0 40 IHAB CCc1ccc([C@H](NC(=O)c2cc(S(N)(=O)=O)ccc2Br)C(C)C)cc1 23767363 CRXAXCPJUQFPJL-GOSISDBHSA-N 439.375 3.786 0 40 IHAB Cc1cc(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)OCCCO3)ccc1Br 32443124 FTVPACOZBKCDPD-ZDUSSCGKSA-N 426.332 3.958 0 40 IHAB C[C@H](Oc1ccc(F)cc1Br)C(=O)NCC1(N2CCOCC2)CCCCC1 32482596 NXAZQUIIIRIBMN-HNNXBMFYSA-N 443.357 3.507 0 40 IHAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 32768318 JKEZWYCWCHQLMY-OAHLLOKOSA-N 443.494 3.984 0 40 IHAB CCOC(=O)C1=C(C)N(CCc2cccs2)C(=O)N[C@H]1c1ccccc1C(=O)OC 32780973 OFWXPUTTZFYNPK-IBGZPJMESA-N 428.510 3.681 0 40 IHAB COc1ccc(OC)c([C@H]2CCCN2C(=O)CSc2nccc(C(F)(F)F)n2)c1 32903205 CPNSDBVCRFKUBS-CQSZACIVSA-N 427.448 3.968 0 40 IHAB O=C(N[C@H](C(=O)NC1CCN(C(=O)c2ccccc2)CC1)c1ccccc1)c1cccs1 32909967 WDHYVLQMHXQGPM-QFIPXVFZSA-N 447.560 3.640 0 40 IHAB CCCCn1nnc(NC(=S)NC(=O)c2cccc3c(Br)cccc23)n1 33557086 MHDHMSACDWFQIX-UHFFFAOYSA-N 433.335 3.516 0 40 IHAB COC(=O)c1ccc(NC(=O)CSc2nnc(COc3cc(C)ccc3C)n2C)cc1 34805557 ANGLJGCPXODWJW-UHFFFAOYSA-N 440.525 3.528 0 40 IHAB CC(=O)Nc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2ccccc2Cl)nc1O 35377899 PBLQFFRHQQGLOL-LLVKDONJSA-N 443.916 3.975 0 40 IHAB COc1cc2c(cc1OC)CN(Cc1cc(=O)c(OCc3cccc(F)c3)co1)CC2 36365310 VAPNZCGPJKXDLX-UHFFFAOYSA-N 425.456 3.933 0 40 IHAB O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)c2cccnc2-n2cnc3ccccc32)C1 36395512 HLZFNFZMJVMSHV-GOSISDBHSA-N 425.492 3.911 0 40 IHAB O=C(Cn1nc(C(F)F)c2c1CCC2)Nc1cnn(Cc2c(F)cc(F)c(F)c2F)c1 36614071 NCSGPXDQTXNTTM-UHFFFAOYSA-N 443.351 3.749 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2cc(Cl)ccc2OC)cc1C 39986252 NSPJSDJFZRYYHG-UHFFFAOYSA-N 440.949 3.705 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)[C@@H](C)SCc1ccccc1 44885377 VMEKYQQMTCJXTO-MRXNPFEDSA-N 434.583 3.740 0 40 IHAB C[C@H](C(=O)Nc1ccc(NC(=O)NCc2cccnc2OC2CCCC2)cc1)n1cncn1 48332224 VMIGVDXOQJDFEK-MRXNPFEDSA-N 449.515 3.516 0 40 IHAB Cc1ccccc1-n1c(=O)c2sccc2n(CC(=O)N[C@H](C)CCc2ccccc2)c1=O 57489782 CXMYCVPYQNCABU-GOSISDBHSA-N 447.560 3.660 0 40 IHAB Cc1cc(C)c(NC(=O)CCCS(=O)(=O)[C@H](C)C(=O)N2C[C@@H](C)C[C@@H](C)C2)c(C)c1 58935095 UJAHOXWCYZFTPY-FUHIMQAGSA-N 436.618 3.638 0 40 IHAB CC(=O)c1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2-c2ccccc2)cc1 67236830 CFYRVWNZDCRZAO-UHFFFAOYSA-N 432.505 3.956 0 40 IHAB O=C(CCC1CCCC1)N1C[C@@H]2CCCCN(Cc3ccc(N4CCOCC4)nc3)[C@@H]2C1 72330665 FTZRCODGWHPEJY-BJKOFHAPSA-N 440.632 3.702 0 40 IHAB O=C(NC1CCCCC1)c1cc([C@H]2CCCN(Cc3ccc4c(c3)OCCO4)C2)no1 72352784 QQYGGRJEFMFLHD-SFHVURJKSA-N 425.529 3.888 0 40 IHAB CC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H](OC(=O)Nc3ccc(F)cc3)C2)cc1 77200417 OSCNAOSLPLMLIT-RTBURBONSA-N 434.489 3.867 0 40 IHAB O=C(CNC(=O)c1ccc(Br)s1)NC1(c2ccc(F)cc2F)CCC1 95448167 GLEHTRRXPIYLDE-UHFFFAOYSA-N 429.286 3.714 0 40 IHAB COc1cc2c(cc1OC)CN([C@H]1CC(=O)N(c3ccc(Cl)c(Cl)c3)C1=O)CC2 96305302 RCMJHRUZDLEVGD-KRWDZBQOSA-N 435.307 3.701 0 40 IHAB COC(=O)c1ccc(NC(=O)N2CCc3nc[nH]c3[C@H]2c2ccc(F)c(F)c2F)cc1 96445932 HKBLRDZFDQBWDZ-LJQANCHMSA-N 430.386 3.793 0 40 IHAB COc1ccc(-c2csc(NC(=O)CN3CCN(c4ccccc4)CC3)n2)cc1OC 96887450 OYVYRISACOYHGJ-UHFFFAOYSA-N 438.553 3.588 0 40 IHAB CCOC(=O)[C@@H]1CCCN([C@H](c2ccc(C)cc2)c2sc3nc(CC)nn3c2O)C1 102896652 BSKKTIHAIIMXPA-SJLPKXTDSA-N 428.558 3.732 0 40 IHAB C[C@H](C(=O)NCCSC(C)(C)C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 113940598 KPKRPSXPNSACRJ-LLVKDONJSA-N 427.419 3.796 0 40 IHAB O=C(NCC(=O)N1CCC[C@@H](Cc2nc(-c3ccsc3)no2)C1)OCc1ccccc1 220920243 ZGIVVTPGOSNOAS-KRWDZBQOSA-N 440.525 3.506 0 40 IHAB COC(=O)c1cn(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)c2ccccc12 222602856 SAEMHTFTFHMJQG-UHFFFAOYSA-N 440.521 3.599 0 40 IHAB CN(C(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl)c1ccc(F)cc1 222829490 BACSGOCZAXAIIC-UHFFFAOYSA-N 440.924 3.742 0 40 IHAB Cc1ccc(OCCNC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)c(C)c1 223864775 FEAPMKIYSOFONA-UHFFFAOYSA-N 438.549 3.937 0 40 IHAB CC[C@H](NC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1)c1ccc(OC)c(C)c1 223941500 WNBPKNCNUCHBEC-NRFANRHFSA-N 430.570 3.810 0 40 IHAB Cc1ccc(-c2nnc(NC(=O)[C@@H](C)N(c3cc(C)cc(C)c3)S(C)(=O)=O)s2)cc1 225213514 SXKORFKKWZAYIB-MRXNPFEDSA-N 444.582 3.924 0 40 IHAB COc1cccc(CN(C(=O)COc2ccc(Cl)c(C)c2)[C@H](C)C(=O)NC(C)C)c1 225661635 MWZBVWKUOIHERZ-QGZVFWFLSA-N 432.948 3.978 0 40 IHAB Cc1ccc(N2C(=O)[C@@H]3[C@H]4c5ccccc5C=NN4[C@@H](C(=O)c4ccccc4)[C@@H]3C2=O)cc1 248076511 BNCRVEMSACYJEW-OLKYXYMISA-N 435.483 3.757 0 40 IHAB CCc1onc(C)c1C(=O)NC[C@H]1CC[C@H](c2nc(C)ncc2C(=O)N(CC)CC)CC1 257204403 AUKHAFJPTSVSDR-IYARVYRRSA-N 441.576 3.830 0 40 IHAB COc1ccc(Nc2ncccc2C(=O)N(CC(=O)O)Cc2cccc(F)c2F)cc1 257229095 FWQVNKWZDSIUDR-UHFFFAOYSA-N 427.407 3.839 0 40 IHAB COc1ccccc1C(=O)N1CCC[C@@](COc2ccc(Cl)c(C)c2)(CC(N)=O)C1 257242671 IDPNUVQDKZMEFQ-HSZRJFAPSA-N 430.932 3.834 0 40 IHAB CNc1nc(C)c(C(=O)NC[C@H]2CC[C@H](c3c(C(N)=O)sc4ncccc43)CC2)s1 257243373 IGQJNJORGDUIPH-JOCQHMNTSA-N 443.598 3.906 0 40 IHAB Cc1nc([C@@H]2CCCN(Cc3ccccc3Cl)C2)nc(C)c1CC(=O)N1CCOCC1 257274795 NMRLYZYYQMVEKO-HXUWFJFHSA-N 442.991 3.528 0 40 IHAB Cc1nc([C@@H]2CCN(C(=O)C3CCCC3)C2)nc2c1CC(=O)N2CCc1ccccc1F 257283524 OYSCREZXFBMROZ-LJQANCHMSA-N 436.531 3.562 0 40 IHAB CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)N[C@H]1CCCc3ccccc31)O2 260577952 PYOXXQUACPBWOO-SIKLNZKXSA-N 442.581 3.705 0 40 IHAB O=C1N(Cc2ccsc2)CCO[C@]12CN(Cc1cccs1)C[C@@H]2c1cccnc1 306142185 WSFJZCVPOZAWBT-IRLDBZIGSA-N 425.579 3.602 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC3CCCCCCC3)C2)cc1Cl 408584752 UNHGWPWPBRDOKS-INIZCTEOSA-N 443.009 3.978 0 40 IHAB C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408641899 DIKAFNISVXUFSU-WGMOTNOQSA-N 448.906 3.776 0 40 IHAB CC(=O)c1cccc(NC(=O)CCC(=O)OCC(=O)Nc2ccccc2C(F)(F)F)c1 408665082 TUFRXZCZQFGJHZ-UHFFFAOYSA-N 436.386 3.809 0 40 IHAB Cn1c(=O)c2c(-c3ccc(Cl)c(Cl)c3)c3c(nc2n(C)c1=O)-c1ccccc1[C@@H]3O 408978707 AQRAAFXVDXERIP-IBGZPJMESA-N 440.286 3.668 0 40 IHAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Cl)cc(Br)c2O)C1=O 409009128 BPBXCHNTJHMZFW-IGCGCMMHSA-N 434.695 3.796 0 40 IHAB CCOc1cc(/C=C2/NC(=O)N(C)C2=O)cc(Cl)c1OCc1cccc(C(=O)O)c1 409194461 LTNKLEIVWAAYJB-CXUHLZMHSA-N 430.844 3.538 0 40 IHAB C[C@H]1CN(C(=O)c2ccc(CNC(=O)NCc3nc4ccccc4s3)cc2)C[C@@H](C)O1 513885307 OMUSPHYYJWCNOJ-IYBDPMFKSA-N 438.553 3.545 0 40 IHAB Cc1cc(C(=O)N2CCCC[C@H]2c2ncc(-c3cccc(F)c3)[nH]2)nc2nc(O)nc(O)c12 530563907 YWMPOUNPGIESAD-KRWDZBQOSA-N 448.458 3.641 0 40 IHAB CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC(C)(OCC)CC3)cc2)cc1 557053583 ZAYXOQFXEHOGOL-UHFFFAOYSA-N 446.569 3.917 0 40 IHAB O=C(c1ccc(C(F)(F)F)cc1)N1CCC[C@H](Oc2ncc(Br)cn2)C1 575614258 XWMPODJMIPAXOP-AWEZNQCLSA-N 430.224 3.942 0 40 IHAB CCN1CCN(C(=O)Cc2ccccc2OC)[C@@H](Cc2ccccc2-c2cccnc2)C1=O 585169035 URYXHEHGGSHCLP-DEOSSOPVSA-N 443.547 3.602 0 40 IHAB CC(C)(NC(=O)c1cccc(F)c1)C(=O)N1CCC[C@H](Cc2cccc3nccn23)CC1 585261811 OALROBYSOYFWQM-SFHVURJKSA-N 436.531 3.853 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)CSc1nnc(COc2cccc(C)c2)n1C 916550 ZBRTZJDTUVNLTJ-UHFFFAOYSA-N 440.525 3.610 0 40 IHAB COCCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccc(OCCC(C)C)cc1 2487323 MXOVMTYJHATWMI-OAQYLSRUSA-N 446.569 3.951 0 40 IHAB O=C(COC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(F)cc1)NCc1ccco1 3248865 IBRSCWYFWIODHO-UHFFFAOYSA-N 430.819 3.798 0 40 IHAB Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)OCC(=O)NC(=O)NC(C)(C)C)cc12 3286561 OFSZYOWAYSRGQC-UHFFFAOYSA-N 448.932 3.830 0 40 IHAB O=C(COc1c(I)cc(Cl)c2cccnc12)NCc1ccco1 6189613 KOIFOQNLOYHVTJ-UHFFFAOYSA-N 442.640 3.781 0 40 IHAB Cc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=S)NCCCN(C)C)cc2c1 6408456 ZQLAUWMGDJZFPB-UHFFFAOYSA-N 428.627 3.726 0 40 IHAB COc1cccc(N2C(=O)[C@@H](CC(=O)Nc3cccc(F)c3)N(C3CCCC3)C2=O)c1 8591520 QOJKMUMJHFBDFJ-HXUWFJFHSA-N 425.460 3.943 0 40 IHAB Cc1ccc(-c2csc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccccc3F)n2)o1 8880715 GFLPDUJFORMODG-OAHLLOKOSA-N 435.502 3.642 0 40 IHAB COc1ccccc1NC(=O)c1nc(S(=O)(=O)Cc2ccccc2F)ncc1Cl 8917039 FVUMNUDQGVLDLS-UHFFFAOYSA-N 435.864 3.504 0 40 IHAB Cc1ccc(C)c(-n2nnnc2SCC(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)c1 8996099 CIIXYWZZXAIYLF-FQEVSTJZSA-N 435.557 3.761 0 40 IHAB COc1ccc(OCCCC(=O)OCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 9119383 TYFUNSWIGMWCTC-UHFFFAOYSA-N 427.375 3.935 0 40 IHAB COc1ccc(CCC2CCN([C@@H]3CC(=O)N(c4ccc(C)cc4)C3=O)CC2)c(OC)c1 9287898 MCAGIJSYMKBQQQ-HSZRJFAPSA-N 436.552 3.989 0 40 IHAB COC(=O)C1=C(C)Nc2sc(C(=O)Nc3cc(C)on3)c(N)c2[C@H]1c1cccs1 9305356 RKOWLFLAPCSVGU-ZDUSSCGKSA-N 430.511 3.945 0 40 IHAB C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12 9403930 KOXHUKCGEPFOTL-IRXDYDNUSA-N 447.564 3.915 0 40 IHAB C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc4sccc4c3)cc2)C[C@@H](C)O1 9404734 VKGIXEGBGZJLPA-HUUCEWRRSA-N 430.551 3.952 0 40 IHAB COc1ccc(-c2noc(CN(C)C(=O)COc3ccc(Br)c(C)c3)n2)cc1 9410225 MQSCAQWDAOEZMP-UHFFFAOYSA-N 446.301 3.854 0 40 IHAB CCCCCn1c(SCC(=O)N2CCN(C(=O)c3ccco3)CC2)nc2ccccc21 9438590 MFJAVJAGMJFGSF-UHFFFAOYSA-N 440.569 3.896 0 40 IHAB Cn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccc(CN2CCCC2)cc1 9450763 CSJQTVRPJYUDHW-UHFFFAOYSA-N 427.599 3.794 0 40 IHAB Cc1cccc(Cn2c(=O)c3c(nc4n3C[C@H](C)CN4c3ccc(Cl)cc3)n(C)c2=O)c1 9519075 SQHPWPHPZDEVDT-MRXNPFEDSA-N 449.942 3.695 0 40 IHAB Cc1ccc(-c2cc(-c3nnc(SCC(=O)Nc4cccc(C)c4C)n3N)[nH]n2)cc1 9540851 UHDGNPRXIIWXSU-UHFFFAOYSA-N 433.541 3.705 0 40 IHAB COc1cc(CN(C)[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)ccc1OC(F)F 9647384 ZEZOZMALSKTIGI-INIZCTEOSA-N 449.498 3.592 0 40 IHAB CS(=O)(=O)N1CCN(c2ccccc2NC(=O)c2cccc3c(Cl)cccc23)CC1 9721061 HRQVBBZLOROSES-UHFFFAOYSA-N 443.956 3.827 0 40 IHAB COc1ccc(-n2ccnc(SCC(=O)Nc3ccccc3OC)c2=O)cc1Cl 9761400 ZHQOKLWEPWZXCQ-UHFFFAOYSA-N 431.901 3.634 0 40 IHAB COc1cccc(-c2noc(CN3C(=O)NC(c4ccccc4)(c4ccccc4)C3=O)n2)c1 9766901 FQAFHBYHNDKRPS-UHFFFAOYSA-N 440.459 3.741 0 40 IHAB COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)N1CCc2[nH]c3ccccc3c2C1 9900947 OVWRGBFILVCROI-NRFANRHFSA-N 437.565 3.613 0 40 IHAB COc1ccc(C(=O)Nc2nc3c(s2)CCCC3)cc1S(=O)(=O)NC1CCCC1 9962963 NADWNOUPOWLQRM-UHFFFAOYSA-N 435.571 3.504 0 40 IHAB O=C(Cc1c[nH]c2ccccc12)N[C@H](C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1 9972694 OKEGKYSMTOELRZ-VWLOTQADSA-N 441.487 3.978 0 40 IHAB C[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1cccc2ccccc12 10041113 JNROOFHNKTZUJV-ZDUSSCGKSA-N 433.327 3.908 0 40 IHAB Cc1cc(C)n2nc(C(=O)NCc3cn(Cc4ccccc4)nc3-c3ccccc3)nc2n1 10483435 AXOJYVUFSGHAJB-UHFFFAOYSA-N 437.507 3.583 0 40 IHAB C[C@H](OC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2)C(=O)NCc1cccs1 10886911 RJZQGPHOQSKTQJ-AWEZNQCLSA-N 427.501 3.813 0 40 IHAB C[C@H](Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)C(=O)N[C@H](C)c1ccccc1 11363847 PIUYPXUTSDKKIW-AOIWGVFYSA-N 437.565 3.934 0 40 IHAB CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 11416855 BCCUQMDYQVIFBL-HXUWFJFHSA-N 431.895 3.999 0 40 IHAB CSC[C@@H](NC(=O)CCc1c(C)c2cc3c4c(oc3cc2oc1=O)CCCC4)C(=O)O 11865409 KDMARFWNPXDZSG-QGZVFWFLSA-N 443.521 3.591 0 40 IHAB biogenic COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@@H](C)c3ccccn3)c2)cc1 12584507 RZYZGOILNAHOTB-INIZCTEOSA-N 425.510 3.690 0 40 IHAB O=C(CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)N1CCCc2ccccc21 12685449 RGTDCRGNKISTKN-UHFFFAOYSA-N 438.881 3.855 0 40 IHAB CC(=O)Nc1ccc(NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)cc1Cl 12737942 MKPOFWPMJBYRSE-UHFFFAOYSA-N 444.944 3.977 0 40 IHAB CC(C)[C@@H](NC(=O)CN1CCC(C(=O)Nc2ccccc2O)CC1)c1ccc(F)cc1 12774280 JCGTYRMVMSHUQH-HSZRJFAPSA-N 427.520 3.695 0 40 IHAB CCc1cccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)c1 12789959 IBSQUJOMYTYRSE-SFHVURJKSA-N 438.553 3.791 0 40 IHAB COc1ccccc1C(=O)NCC(=O)NCc1ccc(-c2ccc(Br)cc2)o1 12809653 IKWKKGCRPIICPM-UHFFFAOYSA-N 443.297 3.764 0 40 IHAB CCC(C)(C)NC(=O)[C@@H](c1ccncc1)N(C(=O)c1csnn1)c1ccccc1F 12869955 NPSHGICOYFSKHT-GOSISDBHSA-N 427.505 3.765 0 40 IHAB Cc1ccc(Cl)cc1NC(=O)Cn1nc(C)c(S(=O)(=O)N2CCC(C)CC2)c1C 12879500 PCSWSKXPRGRXEY-UHFFFAOYSA-N 438.981 3.521 0 40 IHAB COc1ccc(OC)c([C@H]2CCCN2S(=O)(=O)c2ccccc2Br)c1 12895729 KBLOYGWYNZSARB-MRXNPFEDSA-N 426.332 3.992 0 40 IHAB CC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)c1 13011866 WBFKHWQZKLHFJP-UHFFFAOYSA-N 428.554 3.854 0 40 IHAB O=C(c1cccs1)N1CCN(Cc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)CC1 13063161 KUXYLJVIKSSDCI-UHFFFAOYSA-N 436.562 3.671 0 40 IHAB CCOC(=O)c1c(NC(=O)c2nc3n(n2)[C@H](C(F)F)C[C@@H](C)N3)sc2c1CCCC2 13124013 KRKDZBUUHMMWIJ-KOLCDFICSA-N 439.488 3.658 0 40 IHAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(C)c(Cl)c2)C1 13580685 RVBDDLUCEPCKEF-CQSZACIVSA-N 440.924 3.836 0 40 IHAB Cc1cc(N(CC(=O)N2c3ccccc3C[C@@H]2C)S(C)(=O)=O)ccc1Br 13648685 RIFKJTRENUSLKZ-AWEZNQCLSA-N 437.359 3.501 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(Br)c(C)c2)cc1C(=O)NC(C)C 13681387 GCCVZVMYQQMJHI-UHFFFAOYSA-N 441.347 3.705 0 40 IHAB COc1cccc(NC(=O)COc2ccc(C(=O)NCC(C)(C)N3CCCCC3)cc2)c1 14060688 SNDYDKNCURDJDN-UHFFFAOYSA-N 439.556 3.707 0 40 IHAB O=C(CSc1nc2ccccc2c(=O)n1Cc1cccnc1)N1CCc2sccc2C1 14305741 LJMZVJCVPALULG-UHFFFAOYSA-N 448.573 3.578 0 40 IHAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N[C@@H](CN1CCOCC1)c1ccccc1 15497197 LOVVNZWYQPZMNN-SFHVURJKSA-N 429.586 3.844 0 40 IHAB CC(C)(C)C(=O)NC(=S)Nc1c(Br)cc(Br)cc1C(=O)O 16322707 XVUZENOKRNZPFJ-UHFFFAOYSA-N 438.141 3.769 0 40 IHAB COc1ccc(S(=O)(=O)Nc2nc(CC(=O)Nc3cccc(C)c3C)cs2)cc1 17135660 CEWQMZKIXDATPK-UHFFFAOYSA-N 431.539 3.751 0 40 IHAB CCOc1cc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)ccc1O 17746346 QBRWSSZSUDHTHM-VABKMULXSA-N 448.450 3.981 0 40 IHAB Cc1ccc(O[C@H](C)C(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[nH]3)CC2)cc1C 19214137 IKXKUGVNWPLGFF-MRXNPFEDSA-N 438.553 3.684 0 40 IHAB CC(C)c1nc(C[C@@H](NC(=O)Cc2ccc3c(c2)CCCO3)c2ccccc2)cc(=O)[nH]1 19453558 KMRWOVRCLDTLLQ-JOCHJYFZSA-N 431.536 3.861 0 40 IHAB CCCN1CCN(C(=O)c2cn(C)cn2)C[C@H](Cc2ccc(-c3ccccc3)cc2)C1=O 19502717 ICIOFQVZGDTDME-QHCPKHFHSA-N 430.552 3.640 0 40 IHAB COc1ccc(OC)c(CN2CCC([C@H](NC(=O)c3ccccn3)c3ccccn3)CC2)c1 19551469 ZOHODIDTIQEUCD-VWLOTQADSA-N 446.551 3.877 0 40 IHAB COc1cc(C(=O)N[C@H](C)Cn2c(C(F)(F)F)cc3cccnc32)cc(OC)c1OC 19575465 ZLTWEHAHABOAQN-GFCCVEGCSA-N 437.418 3.899 0 40 IHAB CC1=NN(CCC(=O)N2CCC[C@H]2c2nc(N(C)C)ncc2-c2cccc(Cl)c2)CC1 19687442 UNFHWUCJVSYQBD-FQEVSTJZSA-N 440.979 3.998 0 40 IHAB CN(CCOc1ccccc1)C(=O)c1ccc(C2CCN(C(=O)c3ccccn3)CC2)nc1 19708086 WEXWMLKLZYVTIP-UHFFFAOYSA-N 444.535 3.647 0 40 IHAB CCc1cc(C(=O)N2CCC[C@H]2c2ccc(C(=O)NCc3ccc(F)cc3)c(C)n2)on1 19711211 DCSREVINEFPPFR-NRFANRHFSA-N 436.487 3.987 0 40 IHAB CCOc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)cc1 20489330 NBTZSGZMXLOCQX-FQEVSTJZSA-N 430.570 3.698 0 40 IHAB COc1ccc(CN(C)c2nc(CN3CCOCC3)nc3sc(C)c(C)c23)cc1F 23955897 LMHRBWPJRHHXSV-UHFFFAOYSA-N 430.549 3.924 0 40 IHAB Cc1ccc(Nc2ccccc2NS(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 24261587 RQCBQMDRZFPHOM-UHFFFAOYSA-N 445.566 3.790 0 40 IHAB Cc1ccc([C@@H](NC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2)c2cccs2)cc1 26911960 PZUXVEHHOSQFPI-OAQYLSRUSA-N 429.586 3.815 0 40 IHAB O=C(CSc1nnc(Cc2ccccc2)o1)N1CCN(C/C=C/c2ccccc2)CC1 27216362 NUSVKYCGXDPKNA-KPKJPENVSA-N 434.565 3.610 0 40 IHAB Cc1sc2nc(SCCN3C(=O)NC(C)(C)C3=O)n(C3CCCC3)c(=O)c2c1C 28012971 IEORBVNBAZAYMT-UHFFFAOYSA-N 434.587 3.612 0 40 IHAB COC[C@H](C)n1c(S[C@@H](C)C(=O)N2CCc3ccccc3C2)nc2ccccc2c1=O 28683681 WQLALCWTGXBWIL-IRXDYDNUSA-N 437.565 3.669 0 40 IHAB COc1ccc(OC)c(NC(=O)[C@@H](C)OC(=O)c2cc(C)n(CC(F)(F)F)c2C)c1 30346202 ZZLAWIPKYRUJMR-CYBMUJFWSA-N 428.407 3.868 0 40 IHAB CCN1CCC[C@H]1CNC(=O)c1nn(-c2ccccc2)c2c1Cc1cc(OC)c(OC)cc1-2 31816174 VKSOLCMJJQHHRB-IBGZPJMESA-N 446.551 3.675 0 40 IHAB Cc1ccc(Cn2ncc3c(C(=O)Nc4ccc(S(C)(=O)=O)cc4)cc(C)nc32)cc1 32784653 MUKDISMJAQSATM-UHFFFAOYSA-N 434.521 3.752 0 40 IHAB C[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccc2c(c1)CCCC2 33220774 HNWVTFBJVSXJHM-IBGZPJMESA-N 440.609 3.985 0 40 IHAB Cc1ccccc1NC(=O)CSc1nc(O)c2c(n1)CCN(Cc1ccc(F)cc1)C2 33331766 MSFLZFPTDPFVPP-UHFFFAOYSA-N 438.528 3.919 0 40 IHAB O=C(c1ccco1)N1CCN(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)CC1 35380476 BBRCACZSDLQFDJ-UHFFFAOYSA-N 427.520 3.538 0 40 IHAB CCOc1ccccc1NC(=O)Cn1cccc(-c2nc(-c3ccccc3C)no2)c1=O 49002546 VWKQMDVQYIRVJA-UHFFFAOYSA-N 430.464 3.911 0 40 IHAB Cc1cc(C)cc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccc(C)c(F)c3)c2=O)c1 51316133 HVEUXMWKIKGVDR-UHFFFAOYSA-N 431.467 3.855 0 40 IHAB CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)c2cc3cc(Cl)ccc3o2)C1 60240960 CHYRKMHVADWOAX-CQSZACIVSA-N 449.935 3.579 0 40 IHAB O=C(CNC(=O)c1ccc(COc2ccccc2)o1)Nc1ccc(Br)cc1 60512650 JPFXPYWJRPQXCN-UHFFFAOYSA-N 429.270 3.990 0 40 IHAB CCOc1ccc(NC(=O)c2nnn(CC(=O)Nc3cc(Cl)ccc3C)c2C)cc1 67323342 LCHZULKJEKUNQJ-UHFFFAOYSA-N 427.892 3.838 0 40 IHAB COc1c(Br)cc(Cl)cc1S(=O)(=O)Nc1ccc(C)cc1C(=O)O 69376989 VYEBUOCCRKMLDZ-UHFFFAOYSA-N 434.695 3.919 0 40 IHAB COc1ccc2c(c1OC)C(=O)N1c3ccccc3-c3nc(=O)c(-c4cccs4)nn3[C@H]21 69701135 XPLKQKVVOUYSSX-JOCHJYFZSA-N 444.472 3.572 0 40 IHAB O=S(=O)(c1c[nH]c2ncccc12)N1CCC2(CC1)C[C@@H]2c1nnc(-c2ccccc2)o1 71889621 UFUYSFJSJBGSGX-QGZVFWFLSA-N 435.509 3.571 0 40 IHAB Cc1nc2c(c(N(Cc3ccccn3)C[C@H]3CCCO3)n1)CCN(Cc1ccccc1)C2 72335702 SXJDGZYYLHEHRQ-HSZRJFAPSA-N 429.568 3.924 0 40 IHAB Cc1nc(C)n(CCC(=O)NC2CCN(CC3(c4cccc(F)c4)CCCC3)CC2)n1 72393451 OZABRERVDVQKFB-UHFFFAOYSA-N 427.568 3.517 0 40 IHAB Cc1cc(NC(=O)/C=C(/c2ccc(Cl)cc2)C(F)(F)F)n([C@@H]2CCS(=O)(=O)C2)n1 84101960 JRVDVPQXXCEHAH-WJQTUHTMSA-N 447.866 3.789 0 40 IHAB CCCc1cc(NCCCCCc2nc(-c3ccc(O)c(OC)c3)no2)n2ncnc2n1 84758981 BYZWMPDUYCAAAX-UHFFFAOYSA-N 437.504 3.666 0 40 IHAB CN1CCC(N(C)[C@@H]2CCCC[C@@H]2N(C)C(=O)Nc2ccc3c(c2)OCCCO3)CC1 95446468 ZDXUAGUOJWLTHN-RTWAWAEBSA-N 430.593 3.649 0 40 IHAB O=C(NC1(C(=O)Nc2ccc(Cl)cc2)CCN(Cc2ccccc2)CC1)C(F)(F)F 95997647 IVARJRCTAJYGKL-UHFFFAOYSA-N 439.865 3.992 0 40 IHAB CC(=O)C[C@@H]1COCCN1C(=O)/C=C/c1cn(Cc2ccccc2)nc1-c1ccccc1 96011968 RBUIGFWIAJZHTH-JHUUHBRDSA-N 429.520 3.818 0 40 IHAB COc1cccc(-c2nc(-c3noc4ccc(C(=O)N5CCCN(C)CC5)cc34)co2)c1 96154355 PUKAGWDIYQSHAV-UHFFFAOYSA-N 432.480 3.936 0 40 IHAB COc1ccc(CN2C[C@H]3CN(Cc4ccc(-c5ccccn5)cc4)CCN3C2=O)cc1 96269133 VRMOKHNYTIHSAJ-HSZRJFAPSA-N 428.536 3.879 0 40 IHAB biogenic,in-vitro Cc1cccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)c1C 138695364 RPPUYODSJWAKHI-UHFFFAOYSA-N 440.496 3.769 0 40 IHAB CSc1cccc(N(CC(=O)N2CCC(Cc3ccccc3)CC2)S(C)(=O)=O)c1 220064402 IDPKECSNDWMKPB-UHFFFAOYSA-N 432.611 3.656 0 40 IHAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(Br)cc1 222569692 IPOWNJKVOHCLIM-CYBMUJFWSA-N 439.737 3.645 0 40 IHAB Cc1ccccc1[C@@H](NS(=O)(=O)c1nnc(NC(=O)C(C)C)s1)c1ccccc1 223410775 YOGXFRGHTYVASC-KRWDZBQOSA-N 430.555 3.509 0 40 IHAB CC(C)(C)c1ccccc1OCCNC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1 223721122 KZDRBMZEUHFLDI-UHFFFAOYSA-N 444.597 3.719 0 40 IHAB CCCc1ccc(OCCNC(=O)[C@H](CC)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 224311366 UBEJHFLJTUVKEW-NRFANRHFSA-N 436.549 3.518 0 40 IHAB COCCOc1cccc(CN2CCO[C@H](c3ccc(Nc4nc(C)cc(C)n4)cn3)C2)c1 257274936 NNGUCSFJIGOMBZ-DEOSSOPVSA-N 449.555 3.831 0 40 IHAB COc1ccc(Nc2cccc3nc([C@H]4CN(C(=O)Cc5ccco5)CCO4)cn23)cc1 306133106 MCBBTUXFGDNGRP-OAQYLSRUSA-N 432.480 3.822 0 40 IHAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc(SC)c2)cc1Cl 408612087 YHRUJZPQEPHMSW-GFCCVEGCSA-N 428.963 3.766 0 40 IHAB CCc1nc(S/C(=C\c2ccccc2OCc2ccc(C(=O)O)cc2)C(=O)O)n[nH]1 408632750 SDJUFFCGZVHODG-BOPFTXTBSA-N 425.466 3.862 0 40 IHAB Cc1cc(C)c(NC(=O)CSc2nnc(CNC(=O)c3ccccc3F)n2C)c(C)c1 409345241 KTNFOLWFKVDJFP-UHFFFAOYSA-N 441.532 3.540 0 40 IHAB Cc1ccc(NC(=O)Cc2nnc(SCC(=O)Nc3ccccc3Cl)n2C)cc1 409348535 OGKQKDLDGXNQNT-UHFFFAOYSA-N 429.933 3.689 0 40 IHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NC1CCN(c2cc3c(nn2)CCCC3)CC1 575606400 JFFDUIMTJOTDGU-UHFFFAOYSA-N 428.964 3.951 0 40 IHAB Cc1nc(/C=C/C(=O)N2CCC[C@H](Cc3cc(Nc4nccs4)ncn3)C2)cs1 585290861 GOYLWQADNXJIOP-MBVDDHJVSA-N 426.571 3.936 0 40 IHAB O=C(CC1(N2Cc3ccccc3C2=O)CCOCC1)NCCCn1ccc2ccccc21 1565524637 PYPNECGECXKNLE-UHFFFAOYSA-N 431.536 3.743 0 40 IHAB O=C(N1C[C@H](c2ccc(F)cc2F)[C@H]2CNCC[C@H]21)C1(c2cccc(F)c2)CCOCC1 1848352588 PHVOUIDCJBEOCU-MQSCRBSSSA-N 444.497 3.756 0 40 IHAB CO[C@@H]1CCN2C[C@@H]1CCCCN(Cc1cccc(C)n1)CCOc1cccc(c1)C2=O 2037978312 PDZLOVFEVFRLDG-WIOPSUGQSA-N 437.584 3.932 0 40 IHAB O=C(CN1C(=O)S/C(=C/c2c[nH]c3ccc(Br)cc23)C1=O)N1CCCC1 983061 GUBVZTSCOCHZJU-VIZOYTHASA-N 434.315 3.589 0 40 IHAB COC(=O)[C@H](Cc1ccc(OC(=O)c2ccc(C)cc2)cc1)N1Cc2ccccc2C1=O 1383739 KZDMFKHCOHVCEM-QHCPKHFHSA-N 429.472 3.954 0 40 IHAB CS(=O)(=O)N1C[C@H](c2nnc(-c3ccc(Cl)cc3)o2)Oc2ccc(Cl)cc21 1399751 AJQUOHOURGGXJO-OAHLLOKOSA-N 426.281 3.943 0 40 IHAB COc1cccc(-c2nc(C(=O)NCCCN3CCOCC3)cc3c2[nH]c2ccccc23)c1 2120566 LDOPGQBXVCXINY-UHFFFAOYSA-N 444.535 3.844 0 40 IHAB biogenic Cc1nn([C@H](C)c2nc3c4cnn(-c5ccccc5)c4ncn3n2)c(C)c1Br 2808952 FWJVCJZZKGIVDR-CYBMUJFWSA-N 437.305 3.648 0 40 IHAB C[C@@H](C(=O)Oc1ccc2oc(-c3ccco3)cc(=O)c2c1)N1C(=O)c2ccccc2C1=O 2888841 HMBGULADXQNGKU-ZDUSSCGKSA-N 429.384 3.643 0 40 IHAB Cc1ccc(C)c(-n2nnnc2SCC(=O)Nc2ccc(Br)cc2F)c1 3278687 GUBNRBFQKUUAQV-UHFFFAOYSA-N 436.310 3.912 0 40 IHAB Cc1ccc(NC(=O)COC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1 3282617 IQRVEDDXUYQKLY-UHFFFAOYSA-N 430.507 3.653 0 40 IHAB NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1C(F)(F)F)CCCC3 3342142 QREQBZXZMPBZFA-UHFFFAOYSA-N 439.484 3.922 0 40 IHAB CCOC(=O)CN1C(=O)S/C(=C/c2cccn2-c2cccc(Br)c2)C1=O 8396218 ZJYCDDDQMQZKOZ-XNTDXEJSSA-N 435.299 3.839 0 40 IHAB CCCOC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)c2cccc(OC)c2)cc1 8722535 CPEAYTLGYVPAKL-UHFFFAOYSA-N 441.480 3.797 0 40 IHAB CCn1c(S[C@H](C(=O)N2CCOCC2)c2ccccc2)nnc1-c1ccc(OC)cc1 8752574 XUGNIJZMNMZGEU-FQEVSTJZSA-N 438.553 3.666 0 40 IHAB O=C1O[C@@H](CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CN1c1cccc(Cl)c1 8838419 GFGSREAGZPRKDD-AWEZNQCLSA-N 434.823 3.663 0 40 IHAB Cc1ccc2c(=O)cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC[C@H]4C)cc3)oc2c1 8916289 BOPLZPGHVZDQMF-MRXNPFEDSA-N 440.521 3.917 0 40 IHAB COc1ccc(NC(=O)Cn2nc(-c3cccs3)c3sc(C)nc3c2=O)cc1OC 8955996 FYRLZGDUJZUTGD-UHFFFAOYSA-N 442.522 3.546 0 40 IHAB C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 9222876 WEBYSRLDRHJCFZ-BLLLJJGKSA-N 438.899 3.683 0 40 IHAB CCCCn1c(SCC(=O)Nc2c(C)cccc2C)nc2cc(S(N)(=O)=O)ccc21 9285101 FMRLFMALRMUWPG-UHFFFAOYSA-N 446.598 3.831 0 40 IHAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@H](C)c3ccc(CC(C)C)cc3)C2=O)cc1 9506762 AEKMCKSHNCSSOE-CRICUBBOSA-N 437.540 3.538 0 40 IHAB COc1ccc(NC(=O)c2n[nH]c3ccccc23)cc1NS(=O)(=O)c1ccc(F)cc1 9728882 ROYBOOZKVHCIJY-UHFFFAOYSA-N 440.456 3.764 0 40 IHAB CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2cc(Cl)ccc2OC)CC1 10059891 TYEFNPSUKULDQA-UHFFFAOYSA-N 431.920 3.529 0 40 IHAB C[C@H](Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)C(=O)Nc1ccc(F)cc1 11363824 RHTIZHJEMMQUAU-YOEHRIQHSA-N 427.501 3.834 0 40 IHAB O=C(Nc1ccc(-c2csc(N3CCOCC3)n2)cc1)c1ccc(Cn2cncn2)cc1 11374762 MZNPLMHWHGJANY-UHFFFAOYSA-N 446.536 3.539 0 40 IHAB C[C@@H](NC(=O)c1ccccc1NC(=O)CSc1ncnc2c1cnn2C)c1ccccc1 11680645 OBPISKSJOTZKJN-OAHLLOKOSA-N 446.536 3.585 0 40 IHAB COc1ccc2nc(-c3ccc(C)c(NC(=O)c4cc(OC)c(OC)c(OC)c4)c3)cn2n1 11693463 XDEKPVUVZWDALG-UHFFFAOYSA-N 448.479 3.991 0 40 IHAB Cc1cc(O[C@H](C)C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c2c3c(c(=O)oc2c1)CCCC3 11866953 UWTGYNAKLDLHOU-KABRZNFWSA-N 439.552 3.901 0 40 IHAB biogenic O=C(c1cn2ccccc2n1)N1CCOc2ccc(CN3CCc4ccccc4C3)cc2C1 11911750 WSLYTAZIUAZVNB-UHFFFAOYSA-N 438.531 3.927 0 40 IHAB C[C@H](Oc1cccc(F)c1)C(=O)N1CCC[C@@H](c2nc3ccc(F)cc3cc2C(N)=O)C1 12219698 OZEOIZJVJKYTAH-LSDHHAIUSA-N 439.462 3.785 0 40 IHAB COc1cc(Nc2ccc(NS(=O)(=O)c3cc(OC)c(C)cc3C)cc2)nc(C)n1 12226178 MOLGQQOCESAISX-UHFFFAOYSA-N 428.514 3.963 0 40 IHAB Cc1ccc(C)c(N2C(=O)N(CC(=O)NCc3ccccc3)c3ccccc3S2(=O)=O)c1 12414854 YEFUERAMMAQMQJ-UHFFFAOYSA-N 449.532 3.755 0 40 IHAB CC(=O)c1ccc(OC[C@H](O)CSc2nc(N)c3c4c(sc3n2)CCCC4)cc1 12509617 VHGOXUMELOLUGV-AWEZNQCLSA-N 429.567 3.887 0 40 IHAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CN2C(=O)c3ccccc3C2=O)cc1 12565811 IOFLXVTUAWGFCC-QHCPKHFHSA-N 439.471 3.669 0 40 IHAB CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)NCCCN(C)c1ccccc1 12607370 KRLQEPPWRPAQIY-HXUWFJFHSA-N 446.389 3.846 0 40 IHAB COc1ccc(NC(=O)[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(C)C)c(OC)c1 12621361 AXMNGPKULOUITJ-JOCHJYFZSA-N 442.537 3.799 0 40 IHAB Cc1noc2nc(-c3cccs3)cc(C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)c12 12852953 ATOBGQIQYINWON-UHFFFAOYSA-N 442.522 3.762 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3sccc3-c3ccccc3)CC2)cc1 12997985 XPFGNOYUNFMPNR-UHFFFAOYSA-N 426.563 3.870 0 40 IHAB CCCCc1c(-c2ccccc2)n(-c2ccc(C)cc2)c2nc3c(c(=O)n(C)c(=O)n3C)n12 15081571 GSXGSEJDAXULNZ-UHFFFAOYSA-N 441.535 3.994 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1cc(Cl)cc(Cl)c1 16188087 IGEIMAHCMWPVGZ-UHFFFAOYSA-N 437.732 3.915 0 40 IHAB COc1ccc(S(=O)(=O)Nc2nc(CC(=O)Nc3cc(C)ccc3C)cs2)cc1 17026361 ZCHYTPAQELXGAZ-UHFFFAOYSA-N 431.539 3.751 0 40 IHAB CC(=O)Nc1cccc(NC(=O)CSc2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)c1 17208163 JQHMGCOGSYLLNF-LLVKDONJSA-N 442.566 3.799 0 40 IHAB CCOc1ccc(C(=O)[C@H](C)OC(=O)CCc2c(C)nc3nc(SC)nn3c2C)cc1 17218395 ZCSUTGSFJIXWEC-HNNXBMFYSA-N 442.541 3.609 0 40 IHAB CCN1CCN(c2nc(Nc3ccc(OC)cc3)c3cnn(-c4ccccc4)c3n2)CC1 17288696 VFCVTULIIKIFAH-UHFFFAOYSA-N 429.528 3.710 0 40 IHAB CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CNC(=O)c1ccc2ccccc2c1 18040221 WSDGXGOGPCKJPR-UHFFFAOYSA-N 444.318 3.974 0 40 IHAB Cc1ccc2[nH]c([C@H]3CCCN(C(=O)[C@H]4CCS(=O)(=O)C4)C3)c(-c3ccncc3)c2c1 19220168 ZUSONRUTSYVOFR-OALUTQOASA-N 437.565 3.679 0 40 IHAB O=C(c1ccncc1)N1CC[C@H]2[C@@H](C1)[C@H](c1ccc(F)cc1)CN2C(=O)c1ccccc1 19368981 OGLDDHSDAHNAEJ-HJOGWXRNSA-N 429.495 3.991 0 40 IHAB CCNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)c2cnccn2)C1 19528716 IHUFHBINBAWDEF-XMMPIXPASA-N 434.565 3.806 0 40 IHAB COc1ccc(-c2ccc(C[C@H]3CN(C(=O)c4cccc(OC)c4)CCNC3=O)cc2)cc1 19558330 GLKAKNDACUCGGI-QHCPKHFHSA-N 444.531 3.802 0 40 IHAB COc1ccccc1CN1C(=O)CCc2c(C)nc([C@H]3CCCN3C(=O)C3CCC3)nc21 19695765 LEJCDRFPZRQFKD-HXUWFJFHSA-N 434.540 3.737 0 40 IHAB CC(=O)N1CCC[C@H]1c1nc2c(c(NCCCc3ccccc3Cl)n1)CCN(C)C2 19707145 NWWFIQXFAIZCTD-NRFANRHFSA-N 427.980 3.846 0 40 IHAB O=C(Nc1nccs1)c1cc([C@@H]2CCN(C(=O)Cc3ccccn3)C2)nc2ccccc12 19754388 YHFNIMDDFMLQOO-MRXNPFEDSA-N 443.532 3.897 0 40 IHAB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)Nc1cc(F)ccc1F 20010978 DXTFMBPAKQBTON-UHFFFAOYSA-N 434.439 3.934 0 40 IHAB O=C(Nc1ccc(N2CCOCC2)c(Br)c1)c1cncc(Br)c1 20611590 UPRRDPSHXUYVDA-UHFFFAOYSA-N 441.123 3.696 0 40 IHAB C[C@@H](NC(=O)COc1ccc2c(C(F)(F)F)cc(=O)oc2c1)c1ccc2c(c1)OCCO2 22316895 QPWJSNFLFRUKAG-GFCCVEGCSA-N 449.381 3.839 0 40 IHAB CC(=O)c1ccc(NC(=O)Cn2cccc(-c3nc(-c4ccc(C)cc4)no3)c2=O)cc1 23125860 QIPQWRMQCOVDSK-UHFFFAOYSA-N 428.448 3.715 0 40 IHAB COc1ccc(CN(C)C(=O)c2cccc(I)c2)c(OC)c1OC 23571162 IDBMNLOYJJWWSH-UHFFFAOYSA-N 441.265 3.589 0 40 IHAB C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 23989525 XLHHEVGGJMLPCX-MAIVGLDJSA-N 433.596 3.960 0 40 IHAB CCOc1ccccc1N1CCN(C(=O)[C@@H](NC(=O)c2cccs2)c2ccccc2)CC1 24435856 ATZPLCJIBBRPIU-QHCPKHFHSA-N 449.576 3.967 0 40 IHAB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)NCCSCc2ccccc2)CC1 24611125 HYWNYRIORFPTDU-UHFFFAOYSA-N 446.638 3.586 0 40 IHAB O=C(NC[C@@H](c1cccs1)c1c[nH]c2ccccc12)N1CCN(c2cnccn2)CC1 26148859 WZVRWYNLOJVMQR-LJQANCHMSA-N 432.553 3.683 0 40 IHAB O=C(Nc1ccc(OC[C@@H](O)COCc2ccc3c(c2)OCO3)cc1)c1cccs1 27213909 SMCDHMPLSCUELL-KRWDZBQOSA-N 427.478 3.686 0 40 IHAB CC(C)Cc1ccc(C(=O)CCC(=O)N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 32052525 PAVQSXKEIKLNDC-QGZVFWFLSA-N 430.570 3.715 0 40 IHAB C[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12)c1nc2ccccc2[nH]1 32738327 IPXWQRRHHZSESU-AWEZNQCLSA-N 437.525 3.535 0 40 IHAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnc(N2CCOCC2)n1CC(C)C 32741871 WXFOCYLBVHBVPN-MRXNPFEDSA-N 427.574 3.924 0 40 IHAB O=C(CSc1nnc2c3cc(-c4ccccc4)nn3ccn12)Nc1ccc2c(c1)OCO2 38486978 QTQNPIQVEXICNO-UHFFFAOYSA-N 444.476 3.504 0 40 IHAB CC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)Cc1ccccc1)c1ccc(Br)cc1 40156198 QRIZLGAXQYWRKH-KBXCAEBGSA-N 439.375 3.525 0 40 IHAB O=C(c1nnn(-c2ccc(F)cc2)c1-c1ccncc1)N1CCN(c2ccccc2F)CC1 48987914 GATXBMRFULITED-UHFFFAOYSA-N 446.461 3.570 0 40 IHAB COc1ccc(NC(=O)CN2CCc3[nH]c4c(C)c(Cl)ccc4c(=O)c3C2)cc1OC 49003189 YBURCXUONUGOJA-UHFFFAOYSA-N 441.915 3.504 0 40 IHAB CC[C@@H](C(=O)NC[C@H](c1cccs1)N1CCCC1)n1nnc(-c2ccc(Cl)cc2)n1 70036667 UOTBZEZQXGAJDS-ZWKOTPCHSA-N 444.992 3.959 0 40 IHAB Cc1c(C(=O)N2CCc3nc(NC(=O)c4ccco4)sc3C2)cnn1-c1ccccc1 70638483 KMDCEAIBHLUGLP-UHFFFAOYSA-N 433.493 3.681 0 40 IHAB COc1ccc2c(ccn2CCC(=O)Nc2cccc(N3CCCCS3(=O)=O)c2)c1 71283858 FFBFTUUBUCANKX-UHFFFAOYSA-N 427.526 3.609 0 40 IHAB O=C(O)[C@@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1cccc(C(F)(F)F)c1 71980626 QCHSKSXIISNLHP-IBGZPJMESA-N 448.441 3.623 0 40 IHAB COc1cccc(NC(=O)[C@@H](c2ccccc2)N2CCN(Cc3cccc(O)c3)CC2)c1 72308309 WOSYZTDUGFOOIN-RUZDIDTESA-N 431.536 3.898 0 40 IHAB COc1ccc(CN2CCC(c3nnsc3-c3cc(C)no3)CC2)c(OC)c1OC 72392663 MXWXQORLTOFKCT-UHFFFAOYSA-N 430.530 3.907 0 40 IHAB O=C([C@@H]1COc2ccccc2O1)N1CC(c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 77191044 UOIYRCBSMLWLNC-KRWDZBQOSA-N 431.370 3.521 0 40 IHAB O=C(OC[C@@H]1CC(=O)N(Cc2ccccc2)C1)C1CCN(c2ccc(Cl)cn2)CC1 89834861 LRMPLLZZCRJBPP-GOSISDBHSA-N 427.932 3.543 0 40 IHAB O=C(Nc1cc(Cl)ccc1N1CCOCC1)N1CCC[C@H](c2nncn2C2CC2)C1 95460835 BSUDJYLNLBIUDX-HNNXBMFYSA-N 430.940 3.515 0 40 IHAB Cc1ccc(NC(=O)N2CCC[C@]3(C(=O)NCC4CC4)CN(c4ccccn4)C[C@@H]3C2)cc1 96251436 RVWOWDRPHWHMOU-LVXARBLLSA-N 447.583 3.667 0 40 IHAB CC(=O)N(c1nc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cs1)c1cccc(C)c1C 96663462 PQJNOMQCOSQENH-VIZOYTHASA-N 447.563 3.730 0 40 IHAB COc1ccc(-c2cc(NC(=O)CCN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)ccc2OC)cc1 103141975 RRZYVUZVESALFK-PMACEKPBSA-N 434.492 3.651 0 40 IHAB C[C@@H](NS(=O)(=O)c1ccc(NC(=O)COc2ccccc2)cc1)[C@H]1C[C@H]2CC[C@H]1C2 104748322 ODVYQKCWCRCCHD-BZDHPDOMSA-N 428.554 3.807 0 40 IHAB O=C(Cc1ccc(Br)cc1)N1CCC[C@H](S(=O)(=O)c2ccc(F)cc2)C1 207983668 DFTFGOAAGBIPMF-SFHVURJKSA-N 440.334 3.596 0 40 IHAB COc1ccc(N([C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)S(C)(=O)=O)cc1OC 220235760 AYJQDVUXCHFUGC-LBPRGKRZSA-N 446.447 3.516 0 40 IHAB CC[C@@H](C(=O)Nc1ccccc1C(=O)NCC(C)C)N(c1cccc(C)c1)S(C)(=O)=O 220507132 MXTRJGPRZQFSSZ-NRFANRHFSA-N 445.585 3.564 0 40 IHAB CC[C@H](C(=O)N[C@@H](C)c1ccc(OC)cc1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O 222511608 VYTFAROHLGLYDK-ORAYPTAESA-N 442.940 3.910 0 40 IHAB Cc1ccc(C(=O)N2CCc3cc(S(=O)(=O)N4CCc5ccccc5C4)ccc32)cc1 223377145 QDCRWIUBGDXIGX-UHFFFAOYSA-N 432.545 3.945 0 40 IHAB COc1ccc(CCCNC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc1 224109958 DIPXPWFXABVPPM-UHFFFAOYSA-N 438.549 3.883 0 40 IHAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-n2cnnc2)c1C 224559006 IXUXSSPSXWQPAU-YADHBBJMSA-N 445.552 3.589 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCC1=CCCCC1)c1ccc(Br)cc1 224678076 JKOVPHATLNNCBR-UHFFFAOYSA-N 429.380 3.612 0 40 IHAB COc1ccc([C@@H](CC(C)C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1 225508318 JVXCIYLRDKCCRC-NFBKMPQASA-N 444.597 4.000 0 40 IHAB C[C@@H]1C[C@@H]1C(=O)N1CCC(c2cc3nc4c(c(O)n3n2)CN(C[C@@H]2CC=CCC2)CC4)CC1 253590919 HKGCNPDTZSDSCW-GGPKGHCWSA-N 449.599 3.511 0 40 IHAB CC(C)N(C(=O)CN1CCO[C@H](c2cccc(Nc3cnccn3)n2)C1)C1CCCCC1 257272899 NEHNKBSLJABDFQ-NRFANRHFSA-N 438.576 3.558 0 40 IHAB CCNC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(C(=O)c2cccnc2)CC1 257291746 QILADAAXPAIELH-UHFFFAOYSA-N 428.536 3.745 0 40 IHAB CC[C@H](NC(=O)[C@H](CC)N(c1ccc(OC)cc1)S(C)(=O)=O)c1ccc(OC)c(C)c1 260845670 VSYVPLRUXCAUKQ-SFTDATJTSA-N 448.585 3.824 0 40 IHAB CC(=O)Nc1cccc(NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)c1 408617919 HUBZOMFKNDJDNJ-UHFFFAOYSA-N 437.521 3.864 0 40 IHAB COc1cc(OC)cc(-c2nc(S/C(=C\c3ccc(OC)c(OC)c3)C(=O)O)n[nH]2)c1 408633407 MVXFPBGCFALVRV-LSCVHKIXSA-N 443.481 3.724 0 40 IHAB CCc1cccc(CC)c1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(Cl)cc2)CC1=O 408659734 MUDPVCDKYBUROF-KRWDZBQOSA-N 428.916 4.000 0 40 IHAB CCOc1cc(/C=C2/NC(=O)NC2=O)cc(Br)c1OCc1ccc(C)cc1 408916996 KIVCILUTVFEWDN-CXUHLZMHSA-N 431.286 3.916 0 40 IHAB Cc1ccc(S(=O)(=O)Oc2c(Br)cc(Br)cc2CO)cc1 409117366 RAAAXYNTHRDOAQ-UHFFFAOYSA-N 436.121 3.780 0 40 IHAB O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N(Cc1ccccc1)Cc1ccccc1 409123984 GFTSBQCJRHTNQK-UHFFFAOYSA-N 428.941 3.847 0 40 IHAB O=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)N1CCC(c2c[nH]c3ncccc23)CC1 509447843 JJFREKTVFFHYQW-UHFFFAOYSA-N 437.565 3.622 0 40 IHAB O=C(c1cccc(-c2noc(C(F)(F)F)n2)c1)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F 552476553 ZGEDWGLRSZFBAJ-CZUORRHYSA-N 439.340 3.982 0 40 IHAB CCOC(=O)C1CCC(CNC(=O)NCc2nc(C3CCC(F)(F)CC3)no2)CC1 575617613 VFTUIZJSRSKUAI-UHFFFAOYSA-N 428.480 3.531 0 40 IHAB O=C(NC[C@@H]1CCC2(CCN(c3ncccn3)CC2)CO1)c1cccc(C(F)(F)F)c1 585101249 REVPDRPGYDNAEB-SFHVURJKSA-N 434.462 3.691 0 40 IHAB CC(C)(C)c1nc(CN2CCN(C(=O)[C@H](Oc3ccccc3)c3ccccc3)CC2)no1 605385990 SLMZXVDUEJGVQG-JOCHJYFZSA-N 434.540 3.832 0 40 IHAB O=C(N[C@@H]1CCC[C@H]1NC(=O)c1ncccc1C(F)(F)F)c1ncccc1C(F)(F)F 683368948 OFVLEHGYFSVKBF-CHWSQXEVSA-N 446.351 3.595 0 40 IHAB O=C(Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1)N[C@H](CO)c1ncc[nH]1 1214572903 QXWJYCXYHDKLPM-MRXNPFEDSA-N 433.390 3.536 0 40 IHAB Cc1ccccc1[C@@H](CC(=O)N1CCc2ccccc2[C@H]1C(=O)OC(C)(C)C)NC(N)=O 1641824259 VLJPKLHGUSEBEN-IRLDBZIGSA-N 437.540 3.562 0 40 IHAB CC(=O)N1CCC[C@]1(Cc1ccccc1-c1ccccc1)C(=O)NCC1CCN(C)CC1 2037834504 LSFOCTZONBMFJY-MHZLTWQESA-N 433.596 3.735 0 40 IHAB CC1CCN(c2nnc(SCC(=O)N(C)Cc3ccsc3)n2C[C@H]2CCCO2)CC1 11747728 DFFWSTZTEVOFRL-GOSISDBHSA-N 449.646 3.506 0 40 IHAB O=C(/C=C/c1ccc(Br)s1)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 32721792 OXVLHCIXTDBJFD-FUEXJSSKSA-N 446.413 3.801 0 40 IHAB Cc1c(NC(=O)[C@@H](C)OC(=O)c2cc(Cl)cc(Cl)c2)c(=O)n(-c2ccccc2)n1C 3237608 LZHAGHXZEZYOKW-CYBMUJFWSA-N 448.306 3.975 0 40 IHAB COc1cccc(C2=NN(C(=O)c3ccccc3Br)[C@](O)(C(F)(F)F)C2)c1 4163783 UMNAYBZYYLLOLC-QGZVFWFLSA-N 443.219 3.959 0 40 IHAB COc1ccc2cc([C@H](c3nnnn3C3CCCCC3)N3CCCCCC3)c(=O)[nH]c2c1 6282901 VIBUVKMPXCSPEV-JOCHJYFZSA-N 436.560 3.994 0 40 IHAB Cc1cc2cc([C@H](c3nnnn3Cc3ccccc3)N3CCCCC3)c(=O)[nH]c2cc1C 6321405 CJRDCBBBSXUQEK-HSZRJFAPSA-N 428.540 3.755 0 40 IHAB O=C(c1ccc(Br)s1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 32983193 NXVOOADWAGOXOU-GFCCVEGCSA-N 448.342 3.569 0 40 IHAB O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCC[C@H]1c1ccc(F)cc1 32901541 QGHWFQAUHBMIHQ-QFIPXVFZSA-N 430.545 3.907 0 40 IHAB Cc1cccc(CCCNC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1 10110692 RJBMTCGMWHGTFC-UHFFFAOYSA-N 428.476 3.529 0 40 IHAB O=C(OCc1nc2ccccc2o1)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12 8826466 BWCXIVFQHBJXGR-UHFFFAOYSA-N 425.466 3.666 0 40 IHAB Cc1cc(O[C@@H](C)C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c2c3c(c(=O)oc2c1)CCCC3 8918345 UWTGYNAKLDLHOU-XWXLMPLOSA-N 439.552 3.901 0 40 IHAB COc1cc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(C)cc1C 644624 GGOVSYFWPVFHFI-UHFFFAOYSA-N 428.476 3.842 0 40 IHAB COCc1nc2ccccc2c(C)c1C(=O)OCC(=O)NC(=O)Nc1cccc(C)c1C 22356980 TZNZVYHGIAPGGI-UHFFFAOYSA-N 435.480 3.812 0 40 IHAB CCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(SC)cc3)CC2)cc1 113956112 USUCVZAGZAKFOP-UHFFFAOYSA-N 434.583 3.847 0 40 IHAB O=S(=O)(c1cccs1)N1CCN(Cc2c(-c3ccccc3)nc3ccccn23)CC1 23983069 DPCYRUZWXRFGBX-UHFFFAOYSA-N 438.578 3.569 0 40 IHAB COc1cccc([C@H]2CC(=O)Nc3c(C(=O)O)cn(-c4cc(F)cc(F)c4)c32)c1OC 61721142 ZHGGJXZHIGVBPX-OAHLLOKOSA-N 428.391 3.945 0 40 IHAB Cc1ccc(NC(=O)c2ccccc2F)cc1OCc1cc(=O)n2c(ncn2C(C)C)n1 21797089 IJDFRYOEIPJZCQ-UHFFFAOYSA-N 435.459 3.751 0 40 IHAB Cc1c(Br)c(C(F)(F)F)nn1[C@H](C)C(=O)NCc1ccc2c(c1)OCO2 27936626 ZTZMBJWCEBJLOO-SECBINFHSA-N 434.212 3.579 0 40 IHAB COc1ccc([C@@H]2CCCN2C(=O)C[C@H](NC(N)=O)c2ccccc2Cl)cc1OC 25613745 VRUPRGGKKPXEFL-ROUUACIJSA-N 431.920 3.820 0 40 IHAB Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N1CCN(C(=O)c2cccs2)CC1 25610173 VQQDIRIXVHKLDV-UHFFFAOYSA-N 442.972 3.861 0 40 IHAB CSCC[C@H](NC(=O)CN1C(=O)CSc2ccccc21)c1nc2ccccc2[nH]1 12547703 JNRQGCJMVZMPGE-INIZCTEOSA-N 426.567 3.612 0 40 IHAB COc1cccc(C(=O)COc2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@H]6C[C@H]56)[C@@H]4C3=O)c2)c1 100854342 OZCJJVZTRAHVEG-XPUPLBFISA-N 429.472 3.514 0 40 IHAB Cc1ccc([C@@](O)(CCNC(=O)N2CCN(c3cccc(Cl)c3)CC2)C(F)(F)F)o1 12546017 KFNKLNYNNHRYPY-IBGZPJMESA-N 445.869 3.913 0 40 IHAB COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@H]1C[C@@H]3C(=O)N[C@H](C)c1cccs1)NC2=O 100181778 SPXLXQRZNGVQNC-DJZXIOEFSA-N 426.538 3.889 0 40 IHAB CCNC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCC[C@H]3C)ccc2C)c1 10022439 NYSOFFQMMMEVPC-QGZVFWFLSA-N 443.569 3.560 0 40 IHAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 58156398 QKPPYXFWXSXZTH-QAPCUYQASA-N 443.997 3.841 0 40 IHAB Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(O[C@H](C)C(=O)NCCCC(=O)O)ccc12 2103586 GUDLKGHSGHRLGS-QGZVFWFLSA-N 437.492 3.749 0 40 IHAB biogenic Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(CSc2nccn2C)o1 28105121 XYPPLVNXUCGIQM-UHFFFAOYSA-N 425.558 3.618 0 40 IHAB C[C@@H](OC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 10914470 NLABTBNPRQSKDG-VXGBXAGGSA-N 448.306 3.582 0 40 IHAB O=C(CN1C(=O)C(=O)N(CCc2cccs2)C1=O)Nc1ccc(Oc2ccccc2)cc1 12736605 RMTQFKNRYJASRM-UHFFFAOYSA-N 449.488 3.512 0 40 IHAB COc1ccc(-c2cc(C(F)F)nc(N3CCN(Cc4ccccn4)CC3)n2)cc1OC 36614063 RIGZPYLTVOSWNC-UHFFFAOYSA-N 441.482 3.816 0 40 IHAB CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccc(C)cc1 20491097 HEUBGLUUUJKXDU-HXUWFJFHSA-N 436.961 3.550 0 40 IHAB C[C@H]1Cc2cc(C(=O)N(C)Cc3ccc(Cl)c(Cl)c3)ccc2N1S(C)(=O)=O 12993568 ZLCHLAISLNJNQV-LBPRGKRZSA-N 427.353 3.976 0 40 IHAB COc1ccc(-c2nc(NC(=O)CN3C(=O)NC4(CCC(C)CC4)C3=O)sc2C)cc1 13040696 NCOMEPGJRRIFDI-UHFFFAOYSA-N 442.541 3.566 0 40 IHAB O=C1O[C@@H](c2ccccc2)Cc2cc(C(=O)N3CCN(C(=O)c4cccs4)CC3)ccc21 13109725 RAOXSNKLZBNDNR-OAQYLSRUSA-N 446.528 3.801 0 40 IHAB O=C(NCc1ccc(F)c(Cl)c1)c1ccc(Oc2nccnc2N2CCOCC2)cc1 49006083 CZIJCFIIXHQZLL-UHFFFAOYSA-N 442.878 3.828 0 40 IHAB CCN1CCC[C@H]1CNC(=O)c1cc2ccccc2cc1NS(=O)(=O)c1cccs1 49612992 VLWIXOBSKWNXCX-SFHVURJKSA-N 443.594 3.916 0 40 IHAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1 39975750 SBNVPUJJNMAACP-NRFANRHFSA-N 437.496 3.742 0 40 IHAB COc1ccc(Cl)cc1[C@@H](OC(=O)CN1C(=O)c2ccccc2C1=O)C(F)(F)F 14246107 ZKFCDPRDLBKLPZ-MRXNPFEDSA-N 427.762 3.791 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc4[nH]c(C)c(C)c4c3)CC2)c(C)c1 6661660 UTAFJKCNOOOADK-UHFFFAOYSA-N 425.554 3.548 0 40 IHAB CCOC(=O)c1cccc(NC(=O)Cn2nc(COc3cccc(C)c3)oc2=S)c1 409150807 DTAOUADCJAERAX-UHFFFAOYSA-N 427.482 3.908 0 40 IHAB O=C(CCC(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)c1ccc2c(c1)CCC2 8744688 XPQOQHTVUJXDMQ-UHFFFAOYSA-N 448.519 3.744 0 40 IHAB CC(C)(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(Br)c2)cc1 409193237 HZQAEOJDNDWKIF-UHFFFAOYSA-N 441.347 3.543 0 40 IHAB COc1ccccc1NC(=O)C[C@@H]1C(=O)Nc2ccccc2N1C(=O)c1ccccc1OC 8721762 CCIHUVXOMLWLAI-HXUWFJFHSA-N 445.475 3.700 0 40 IHAB C[C@@H]1c2cccn2CCN1CC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 15417461 RRMLHPCIJWUMFJ-JOCHJYFZSA-N 443.595 3.826 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@H](CC(C)C)N[C@]23C(=O)Nc2c(C)cccc23)cc1 8876814 HDZYWSWSMAQIHL-UTAZYMRLSA-N 449.551 3.982 0 40 IHAB biogenic O=C(C[C@@]1(O)C(=O)N(Cc2cccs2)c2ccc(Br)cc21)c1ccccn1 8992497 JMCHSTHUEOHSGV-FQEVSTJZSA-N 443.322 3.913 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N1CC[C@H]2CCCC[C@H]2C1 9532747 AINGYXCXHNPNST-MOPGFXCFSA-N 434.602 3.912 0 40 IHAB CCCCn1c(CCC(=O)Nc2ccc(Cl)cc2C)nc2c1c(=O)[nH]c(=O)n2CCC 9520288 BPCULCYGLVBRTR-UHFFFAOYSA-N 445.951 3.630 0 40 IHAB CC(=O)Nc1ccc(CCN[C@H](C)c2cc3c(cc2Br)NC(=O)CO3)cc1 97161952 XTDXEWLZHZQKQJ-GFCCVEGCSA-N 432.318 3.632 0 40 IHAB CC(C)C[C@H](NC(=O)Nc1cccc(N2CCC(C)CC2)c1)c1nc(-c2nc[nH]n2)no1 95469276 RAXWVYSAZPSWQW-SFHVURJKSA-N 438.536 4.000 0 40 IHAB CCOc1ccccc1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 20007980 CUAPUKNRBRXNOQ-NRFANRHFSA-N 442.512 3.753 0 40 IHAB COc1ccc([C@@H](CC(C)C)NC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 22531648 UUPBOXWAVOLAND-IIBYNOLFSA-N 436.549 3.892 0 40 IHAB C[C@H](C(=O)Nc1ccc(Br)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 409384066 ZAUUHPSYFYBFER-LLVKDONJSA-N 431.739 3.896 0 40 IHAB COc1ccc(-c2cc(C(=O)Nc3nc4ccc(F)cn4n3)nn2-c2ccccc2)cc1 509243775 VJTNAAZVFHOHMB-UHFFFAOYSA-N 428.427 3.982 0 40 IHAB CCCn1cc(S(=O)(=O)N2CCC[C@H](c3cccc(Nc4ccccn4)n3)C2)c(C)n1 72376113 TZUFVTVJFGJXRI-SFHVURJKSA-N 440.573 3.703 0 40 IHAB O=C([C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)N1CCc2[nH]c3ccccc3c2C1 32879995 CDWDJLBJGJGYQE-OAQYLSRUSA-N 443.956 3.559 0 40 IHAB CC(C)c1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)[C@H](C)n4cncn4)C3)noc2n1 72390253 BOXPSPKIXWZYSH-QWHCGFSZSA-N 436.438 3.924 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(c3cc(C(=O)Nc4ccccc4F)[nH]n3)CC2)s1 225562867 MJNWPGIJQMANRL-UHFFFAOYSA-N 448.545 3.739 0 40 IHAB COC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(Br)cc1 224731437 IMTRTQFCCVUTTG-UHFFFAOYSA-N 432.723 3.779 0 40 IHAB CC[C@H](NC(=O)[C@@H](C)N(c1cc(C)ccc1OC)S(C)(=O)=O)c1ccc(OC)c(C)c1 224303390 CGGLATKBJAKGBZ-MJGOQNOKSA-N 448.585 3.743 0 40 IHAB Cc1ccc(CSCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1 225517958 IGFRFAOSJODAQH-NRFANRHFSA-N 446.638 3.754 0 40 IHAB CCc1cccc(NC(=O)Cn2cc(-c3nc(-c4ccc(OC)cc4)no3)ccc2=O)c1 49005936 KEIUZERFFUFQLZ-UHFFFAOYSA-N 430.464 3.775 0 40 IHAB CC[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N(c1cc(Cl)ccc1C)S(C)(=O)=O 220715643 YIQXSEXQQARSGI-MRXNPFEDSA-N 438.933 3.603 0 40 IHAB Cc1ccccc1N(CC(=O)NCCSC1CCCC1)S(=O)(=O)c1ccccc1 223745744 YJCZXQVJJFZGSV-UHFFFAOYSA-N 432.611 3.982 0 40 IHAB COC(=O)c1c(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)sc2c1CCCC2 222582309 BUNNTECUBISUSB-UHFFFAOYSA-N 448.566 3.596 0 40 IHAB COc1ccc(NC(=O)C2(C)COC(c3ccc(OC4CSC4)cc3)OC2)c(OC)c1 225922074 MEDAHHYKYVDXAF-UHFFFAOYSA-N 445.537 3.888 0 40 IHAB COc1ccc(N(CCCC(=O)Nc2ccc(Br)cc2)S(C)(=O)=O)cc1 222598194 ZCLXMMSNYDRFAH-UHFFFAOYSA-N 441.347 3.643 0 40 IHAB CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(C(C)(C)C)cc1 223997184 HXXPVJPENMEGDJ-SFHVURJKSA-N 426.557 3.925 0 40 IHAB COc1ccccc1-c1nc2sc(=Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2n1 254303344 VOBVCUCOVJGWCG-UHFFFAOYSA-N 446.444 3.543 0 40 IHAB Cc1cccc(N([C@@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)S(C)(=O)=O)c1 260592410 WCXJKZSEKNQRFY-PXNSSMCTSA-N 430.570 3.877 0 40 IHAB CCc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)c4ccsc4)sc3C2)s1 96024351 YMGFANQVMVSDFR-UHFFFAOYSA-N 439.609 3.828 0 40 IHAB CN1CCN(c2ncc(-c3cccnc3)c([C@H]3CCCN(C(=O)C4CCCCC4)C3)n2)CC1 72347979 GQAZKFIJQRCYIP-QFIPXVFZSA-N 448.615 3.577 0 40 IHAB CCO/C([O])=C(/CCc1ccccc1)N/C(C)=C(\O)[N+]1=C(C(=O)O)Cc2ccccc2C1 1560407513 NFQDMBUZXSGYKZ-QJOMJCCJSA-O 436.508 3.886 0 40 IHAB O=C(CSc1ncn(-c2ccccc2)n1)Nc1ccc(I)cc1 11474948 DEESHNRGMVNIHO-UHFFFAOYSA-N 436.278 3.603 0 40 IHAB C[C@H]1CN(c2ncc3c(n2)CC(C)(C)C[C@@H]3NC(=O)Cc2ccc(F)cc2)C[C@@H](C)O1 12240867 XHJDBSXVOIKGCS-YRNRMSPPSA-N 426.536 3.602 0 40 IHAB O=C1COc2ccc(C(=O)NCCSc3ncc(C(F)(F)F)cc3Cl)cc2N1 15094103 PMPDLNMCHHWZLJ-UHFFFAOYSA-N 431.823 3.607 0 40 IHAB CC[C@H](Oc1ccccc1OC)C(=O)N1CCC[C@H](c2nc3ccccc3cc2C(N)=O)C1 19499381 JEWYTUJECMWKSR-RXVVDRJESA-N 447.535 3.906 0 40 IHAB CCCN1CCN(C(=O)c2nccn2C)C[C@@H](Cc2ccc(-c3cccc(C)c3)cc2)C1=O 19502663 JCYDPYFCCOFMRB-XMMPIXPASA-N 444.579 3.949 0 40 IHAB COc1cccc(-c2cccc(C[C@@H]3CN(C(=O)c4cccc(F)c4)CCNC3=O)c2)c1 19566684 MBZNWZSFLXJKIK-JOCHJYFZSA-N 432.495 3.932 0 40 IHAB CN1CCO[C@@H](c2c(C(=O)N3CCN(C4CCCCC4)C(=O)C3)sc3ccccc23)C1 19696697 OVIMNXHIBRPSGU-LJQANCHMSA-N 441.597 3.522 0 40 IHAB CNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(C(=O)c2cccc(OC)c2)CC1 19700153 PVGCEUNSPACEFF-UHFFFAOYSA-N 443.547 3.968 0 40 IHAB CC(=O)N[C@H]1C[C@@H](c2ccc(NC(=O)c3cnn4c(C)cc(C)nc34)cc2)O[C@@H](C(C)C)C1 19711803 UWIOOVSZSJGMAA-MZYLBHOOSA-N 449.555 3.979 0 40 IHAB COc1cc(C(=O)Nc2ccc(NC(=O)c3ccccc3F)nc2)cc(OC)c1OC 1353292 DQUMPUUOBKKWDK-UHFFFAOYSA-N 425.416 3.751 0 40 IHAB Cc1nc([C@H]2CCN(C(=O)CCCc3c[nH]c4ccccc34)C2)ncc1C(=O)N1CCCC1 19757735 LLSMWSGONVRBCK-FQEVSTJZSA-N 445.567 3.841 0 40 IHAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 9217959 GPMYGNWPZCRFAH-OUKQBFOZSA-N 442.563 3.842 0 40 IHAB COc1ccc(OC)c(NC(=O)CSc2ccc3nnc(-c4cccs4)n3n2)c1 9599783 YACOKKFCMRIHTC-UHFFFAOYSA-N 427.511 3.601 0 40 IHAB COc1ccccc1NC(=O)Cn1cc(OC)c(=O)cc1CSc1ccc(F)cc1 9816293 RYBCGNUDFHKHFX-UHFFFAOYSA-N 428.485 3.936 0 40 IHAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)N(Cc1ccccc1)c1nc2c(F)cccc2s1 13793375 LGHVRQZWYKUZIQ-QGZVFWFLSA-N 447.557 3.783 0 40 IHAB COc1ccc(CCNC(=O)N2[C@H]3CC[C@H]2CC(n2cc(Br)cn2)C3)cc1 1775974830 SIVNUYIYFCPKRE-IRXDYDNUSA-N 433.350 3.774 0 40 IHAB Cc1ccccc1-c1noc(CN2N=N[C@@H]3C(=O)N(c4ccc(C(C)C)cc4)C(=O)[C@H]32)n1 101262369 AEJGYEDVKNVTJQ-PMACEKPBSA-N 430.468 3.662 0 40 IHAB Cn1cc([C@@H]2CN(C(=O)CC3CCN(C(=O)OC(C)(C)C)CC3)Cc3ccccc32)cn1 585406117 AVXIRIODQANZFS-QFIPXVFZSA-N 438.572 3.931 0 40 IHAB Cn1cc([C@@H]2CN(S(=O)(=O)c3ccccc3Br)Cc3ccccc32)cn1 575620109 QIMSBFQRVPSQDJ-KRWDZBQOSA-N 432.343 3.519 0 40 IHAB C[C@@H](NC(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C)c1cc2ccccc2o1 40071977 SVFNMFFRZREGSX-CPJLOUKISA-N 431.492 3.999 0 40 IHAB CCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2ccc(OC)c(OC)c2)C1=O 2107450 HGHBFGPEVDBSSW-CPJSRVTESA-N 447.535 3.670 0 40 IHAB biogenic Nn1c(SCC(=O)Nc2ccccc2Br)nnc1-c1ccc(Cl)cc1 2629794 VCIVNOAAXQYDEP-UHFFFAOYSA-N 438.738 3.806 0 40 IHAB COC(=O)c1c(NC(=O)COC(=O)c2cccc(C(F)(F)F)c2)sc2c1CCC2 3270404 JEUOVSGNUZYENI-UHFFFAOYSA-N 427.400 3.838 0 40 IHAB COc1cccc(-n2c(SCC(=O)NC3CC3)nc3sc4c(c3c2=O)CCCC4)c1 3478607 YLECTAIOMMPZKZ-UHFFFAOYSA-N 441.578 3.705 0 40 IHAB COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)Nc1cc(C)c(Cl)cc1OC 3541330 GEBIFTCHEHZLER-UHFFFAOYSA-N 440.327 3.828 0 40 IHAB NC(=S)C1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(Br)cc1 5954980 IJQQZLKNYUBSBS-ZDUSSCGKSA-N 429.295 3.536 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)C2CCN(Cc3ccccc3F)CC2)cc1 9063534 ZTIOLVQEIYSNNG-UHFFFAOYSA-N 447.576 3.707 0 40 IHAB CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(F)c(Cl)c4)ccn3n2)cc1 9321206 GGWWBLVLTAXODQ-UHFFFAOYSA-N 440.862 3.993 0 40 IHAB CC(C)c1ccc(/C=C2\SC(=O)N(CC(=O)N[C@@H](CO)Cc3ccccc3)C2=O)cc1 9429871 RENCNMIZHPLBPE-TUNPGAEXSA-N 438.549 3.566 0 40 IHAB Cc1ccccc1Cn1nc(C)c(NC(=O)C(=O)NCCc2c[nH]c3ccccc23)c1C 9530663 KTEOYNUPVXGTND-UHFFFAOYSA-N 429.524 3.635 0 40 IHAB Cc1c(C(=O)OCc2ccc(Br)cc2F)sc2nc3n(c(=O)c12)CCC3 9634176 TVRZIUVHOUBRPH-UHFFFAOYSA-N 437.290 3.971 0 40 IHAB CCOc1ccc(NC(=O)c2ccc3c(c2)S(=O)(=O)N=C2CCCCCN23)cc1OC 9635458 LCVKGTXJQKBIJM-UHFFFAOYSA-N 443.525 3.827 0 40 IHAB CCc1ccccc1Nc1nc(N)nc(CSc2nncn2-c2ccccc2OC)n1 9670929 PZPLZQZWPXJBHS-UHFFFAOYSA-N 434.529 3.641 0 40 IHAB Cc1ccc(S(=O)(=O)NCCC(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 9996111 DGERVDDNYGFCCK-SFHVURJKSA-N 429.567 3.637 0 40 IHAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)C1=O 10216247 BEOBPJAKMHNDBA-IVCQMTBJSA-N 437.515 3.739 0 40 IHAB CCOc1ccc([C@@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@@H](C)Nc3ncnn32)cc1OC 11694902 QXSDTSZGRXHZRE-CAYVGHNUSA-N 441.919 3.997 0 40 IHAB CC(C)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NCc1cccnc1-n1ccnc1 12525375 QOICINMWIDZBLS-OAQYLSRUSA-N 433.556 3.636 0 40 IHAB Cn1ccnc1[C@H](NS(=O)(=O)c1ccccc1Br)c1ccc(Cl)cc1 12540424 NQHQGXFCJPMNND-MRXNPFEDSA-N 440.750 3.904 0 40 IHAB COc1ccc(CCNC(=O)COc2ncnc3c(Cl)cc(Cl)cc23)cc1OC 12565808 UDPWJMXCMLLGBF-UHFFFAOYSA-N 436.295 3.692 0 40 IHAB COc1cc(C(C)=O)ccc1OC[C@@H](O)Cn1nc(-c2ccccc2)c2ccccc2c1=O 12747508 WIZMOSRBFRXYSZ-FQEVSTJZSA-N 444.487 3.715 0 40 IHAB CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CC=C(c2ccccc2)CC1 13002998 MNKNBDBGPIFRHR-JOCHJYFZSA-N 444.622 3.711 0 40 IHAB COCCN(CC(=O)Nc1cccc(C)c1C)C(=O)c1ccc(OC(F)F)c(OC)c1 13007231 SMDPKLKMLWUNIR-UHFFFAOYSA-N 436.455 3.641 0 40 IHAB O=C(Nc1cccc(F)c1)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 13678627 PAJMNWGWHCPFHU-OAQYLSRUSA-N 426.469 3.562 0 40 IHAB CC[C@H](C(=O)NCCSCc1ccccc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714314 QIXQMZILYKGEHG-LJQANCHMSA-N 441.018 3.934 0 40 IHAB COCCCN1COc2ccc3c(=O)c(Oc4ccc(C(=O)OC)cc4)coc3c2C1 13722112 RKMUCSOQZWMKGJ-UHFFFAOYSA-N 425.437 3.560 0 40 IHAB O=C(CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)Nc1ccc(F)c(F)c1 15588267 DMZQCIOKHMOCIO-UHFFFAOYSA-N 442.793 3.944 0 40 IHAB O=S(=O)(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc2ccccc2c1 15910995 ISPYWHYYWVTFOA-UHFFFAOYSA-N 430.551 3.815 0 40 IHAB COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3cccnc3)nn2[C@H]1c1ccccn1 15962363 LQZGJTJGRFNJEQ-NRFANRHFSA-N 439.479 3.671 0 40 IHAB COC(=O)c1ccc(NC(=S)NC(=O)c2cc(Br)cc(C)c2OC)cc1 17101142 QNQZDDMXNKAYRD-UHFFFAOYSA-N 437.315 3.680 0 40 IHAB COc1ccc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4cccs4)n3)C2)c(OC)c1OC 19552765 CYGSOACYRDHPOA-OAHLLOKOSA-N 441.553 3.904 0 40 IHAB CC(C)N1CC[C@H](c2c(CNC(=O)c3cc(C(F)(F)F)[nH]n3)cnn2-c2ccccc2)C1 19707992 RYYTYIMQJDYMAX-HNNXBMFYSA-N 446.477 3.742 0 40 IHAB CCN(CC(=O)N[C@H](C)c1ccc(SC)cc1)S(=O)(=O)c1ccc(OC)c(C)c1 19929994 SEDQTTCJWRSKOS-MRXNPFEDSA-N 436.599 3.614 0 40 IHAB CSc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc2)cc1 20019316 KZAWXCFWXWPZFS-MRXNPFEDSA-N 448.610 3.886 0 40 IHAB COc1ccc([C@@H]2CC(=O)c3cnc(N4CCN(c5ccccc5)CC4)nc3C2)c(OC)c1 20101828 UUOIOGZUBFLQRK-SFHVURJKSA-N 444.535 3.733 0 40 IHAB CC[C@@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(Cl)c1Cl)C(=O)OC 20716987 ZRFGYEOLMPCITA-VOZBZGINSA-N 439.343 3.961 0 40 IHAB COc1cc(Cl)c(C)cc1NC(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1 22616674 DJDVLPXOHCKAMV-UHFFFAOYSA-N 434.901 3.981 0 40 IHAB CN(C[C@H]1COc2ccccc2O1)C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 24651964 XNBHPSRWCMEKCZ-VXKWHMMOSA-N 430.504 3.846 0 40 IHAB CC1=C[C@@H](CNC(=O)c2ccc(F)cc2)[C@H](C(C)C)C[C@H]1CC(=O)N1CCN(C)CC1 30880861 QVTCFMYLOUITJV-FUDKSRODSA-N 429.580 3.574 0 40 IHAB biogenic,in-vitro O=C(c1ccc(O)cc1)N1N=C(c2ccc(Br)cc2)C[C@]1(O)C(F)(F)F 32101258 GDIRHIRHJVVDPQ-INIZCTEOSA-N 429.192 3.656 0 40 IHAB COc1cc(C(=O)N2CCC[C@@H](c3nnc4ccccn34)C2)cc(OC)c1Br 32830596 IEGYELXHIHPTBC-CYBMUJFWSA-N 445.317 3.529 0 40 IHAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)N(C)c3nc4ccccc4o3)c2)C1 32901887 WMNWNFQYZWQISV-HOTGVXAUSA-N 427.526 3.771 0 40 IHAB CN1CCN(Cc2ccc(CNC(=O)c3ccccc3COc3ccccc3)cc2)CC1 32932409 XMUQMUHXSPTLRY-UHFFFAOYSA-N 429.564 3.943 0 40 IHAB Cc1cccc(-c2noc(-c3ccc4c(=O)n(Cc5ccccc5F)c(=O)[nH]c4c3)n2)c1 38487722 PENNIVDMWOFTGU-UHFFFAOYSA-N 428.423 3.903 0 40 IHAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)N[C@H](C)Cc1cccc(Cl)c1 40112902 FYCFVVJAHLUANJ-SNVBAGLBSA-N 425.842 3.703 0 40 IHAB COc1ccccc1CNC(=O)NCCCN(Cc1cccnc1)C(=O)OC(C)(C)C 40151583 XOAXPALXGYBLLQ-UHFFFAOYSA-N 428.533 3.717 0 40 IHAB CC[C@](C)(C(=O)Nc1cc(OC)cc(OC)c1)N(C[C@H]1CCCN2CCCC[C@H]12)C(C)=O 43883970 POZFQCFCTQXDEA-RZPHLTDDSA-N 445.604 3.924 0 40 IHAB Cc1ccc(Cn2c(=O)c3ccccc3n(Cc3nc(-c4cccs4)no3)c2=O)cc1 44166685 XQDICTQOQBTFPN-UHFFFAOYSA-N 430.489 3.680 0 40 IHAB CCOc1cc(C(=O)OCC(=O)N2CCOc3ccc(C)cc32)cc(OCC)c1OCC 51356503 NXWKNEFVMUIILN-UHFFFAOYSA-N 443.496 3.774 0 40 IHAB COc1ccccc1Cn1c(SCC(=O)NC2CCCC2)nc2ccsc2c1=O 57425600 SWITVMQVSVZZDB-UHFFFAOYSA-N 429.567 3.666 0 40 IHAB COc1cccc(Cn2c(=O)c3sccc3n(CC(=O)Nc3ccc(C)c(C)c3)c2=O)c1 57426899 JTSWHTLIEYFYPV-UHFFFAOYSA-N 449.532 3.537 0 40 IHAB COC(=O)C1=C(c2ccc(Cl)cc2)Nc2ncnn2[C@@H]1c1ccc(OC)cc1OC 59227937 OMZZEFBBSSHKBR-LJQANCHMSA-N 426.860 3.548 0 40 IHAB CC(=O)Nc1c(C)cccc1-c1nnc(SCC(=O)Nc2c(C)cccc2C)nc1O 64774867 IOBPXROAJAECFD-UHFFFAOYSA-N 437.525 3.859 0 40 IHAB COc1cccc(N2CCN(C(=O)c3ccc(CSc4nc(C)cc(C)n4)o3)CC2)c1 79481200 HYYABMIOLSZLDV-UHFFFAOYSA-N 438.553 3.950 0 40 IHAB COc1cc(C(=O)N[C@@H](C)c2ccc([S@@](C)=O)cc2)cc(OC)c1Br 89904888 VBPGHEUJHAOUGL-FTJNGKRUSA-N 426.332 3.695 0 40 IHAB COc1ccc(OC)c(-c2cc(C(=O)Nc3ccc(N4CC[C@@H](OC)C4)cc3)n(C)n2)c1 96122236 LCZPGIKKOLBERX-LJQANCHMSA-N 436.512 3.582 0 40 IHAB CC(C)(C)N1C(=O)[C@H]2[C@@H]3C=Cc4ccccc4N3[C@H](C(=O)Nc3ccc(Cl)cc3)[C@@H]2C1=O 101435850 BMQUXFUCWHHGEN-BURNTYAHSA-N 449.938 3.962 0 40 IHAB CCOC(=O)[C@@H](OC(=O)c1cccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)c1)c1ccccc1 102649254 QGBSTFRTQTXPJH-HBMCJLEFSA-N 435.476 3.827 0 40 IHAB CCOC(=O)[C@H](C(=O)CSc1nncn1-c1cccc(Cl)c1)c1nc(C)cs1 103034935 DMTYLTZTWHQVNU-OAHLLOKOSA-N 436.946 3.694 0 40 IHAB C[C@@H](NC(=O)CSc1nc2ncccc2c(=O)n1-c1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2 104677792 RSDYBMOSBIIIHW-YLAKUSLOSA-N 434.565 3.814 0 40 IHAB C[C@@H](NC(=O)CSc1nnc(Cc2cccc3ccccc23)n1N)[C@H]1C[C@H]2CC[C@H]1C2 108824057 ZMVFODQCPLMNCM-KPYYAMLLSA-N 435.597 3.769 0 40 IHAB COC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NC2CCCCC2)c1 108972519 WFINPMWJSACCFZ-UHFFFAOYSA-N 430.526 3.645 0 40 IHAB CCOc1ccc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc1Br 205781320 KRCFNVANZNOKEY-RIYZIHGNSA-N 428.304 3.836 0 40 IHAB O=C(/C=C/c1ccc2c(c1)OCO2)NC1CCN(c2nc(-c3cccnc3)cs2)CC1 206985480 RILSWBUGURPGEC-GQCTYLIASA-N 434.521 3.732 0 40 IHAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCS[C@@H]1c1ccc(OC(F)(F)F)cc1 217644034 NBJQKANFKCBCPK-QGZVFWFLSA-N 447.456 3.793 0 40 IHAB Cc1ccccc1OC[C@@H](C)NC(=O)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 219969307 RSOOTUHGYWMOQH-LJQANCHMSA-N 430.570 3.508 0 40 IHAB COc1ccc(NC(=O)[C@@H](C)N(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1OC 220191382 FBXUGBRMBKWHIR-GFCCVEGCSA-N 446.447 3.516 0 40 IHAB CC[C@H](C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)N(c1ccc(OC)cc1)S(C)(=O)=O 220655867 CCNGSPFJGHEHSL-WOJBJXKFSA-N 446.569 3.658 0 40 IHAB Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)CNC(=O)OCc3ccccc3)C2)n1 220813301 PJXMDSVAISWAQJ-FQEVSTJZSA-N 448.523 3.753 0 40 IHAB COc1cccc(N(CCCC(=O)Nc2cccc(Br)c2)S(C)(=O)=O)c1 222587382 UNEMWDFQZOVRQK-UHFFFAOYSA-N 441.347 3.643 0 40 IHAB COc1cccc(N(CCCC(=O)Nc2ccccc2C(F)(F)F)S(C)(=O)=O)c1 222590130 FVJFHDLFNXJXCM-UHFFFAOYSA-N 430.448 3.899 0 40 IHAB COc1cccc(CCCNC(=O)CCCN(c2cccc(C)c2C)S(C)(=O)=O)c1 222635153 DYYZBJGHMCOTDX-UHFFFAOYSA-N 432.586 3.607 0 40 IHAB CS(=O)(=O)N(CC(=O)NCc1cccc2ccccc12)c1cccc(Br)c1 222838183 QAMPZPHFAYCMSH-UHFFFAOYSA-N 447.354 3.685 0 40 IHAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1OC 223586370 WFHPDZIZCNVOFS-FQEVSTJZSA-N 442.556 3.805 0 40 IHAB Cc1cccc(CS(=O)(=O)N(C)Cc2nc(-c3cccc(Br)c3)no2)c1 223640909 AKQFQGXPDFQSOK-UHFFFAOYSA-N 436.331 3.769 0 40 IHAB COc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc4c(c3)CCC(C)(C)O4)n2)cc1 223776640 UDGBRBJIDCLAAJ-UHFFFAOYSA-N 443.525 3.670 0 40 IHAB CC(C)n1c(=O)sc2cc(S(=O)(=O)NCC3(c4ccccc4)CCOCC3)ccc21 225720459 AWGGPWUMLCHAKV-UHFFFAOYSA-N 446.594 3.671 0 40 IHAB CCCn1c(=O)sc2cc(S(=O)(=O)Nc3ccc(Cl)c(C(=O)OC)c3)ccc21 225727136 OFKBZXVXJGRZGZ-UHFFFAOYSA-N 440.930 3.714 0 40 IHAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCCOC2CCCC2)cc1OC 225833790 XMJMGKWBISWYSJ-SILNSSARSA-N 442.512 3.533 0 40 IHAB COc1ccc(NC(=O)C(C)(C)NS(=O)(=O)Cc2ccc(F)cc2)c2ccccc12 225923138 GWVWOKOVCUUJJR-UHFFFAOYSA-N 430.501 3.824 0 40 IHAB CC(=O)N1CCC(C(=O)N2CCC(C)(c3ncc(Cc4ccc(F)cc4)o3)CC2)CC1 257279505 OGYFUWIXHKPFQL-UHFFFAOYSA-N 427.520 3.543 0 40 IHAB CCCNC(=O)CCc1c(C)nc2cc([C@@H]3CCCCN3Cc3cccnc3)nn2c1C 257307926 TUSYRCLUIDRSIS-QHCPKHFHSA-N 434.588 3.927 0 40 IHAB COc1ccc(N([C@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)S(C)(=O)=O)cc1 260455473 VGMPAUHOMDIJHB-UZLBHIALSA-N 446.569 3.577 0 40 IHAB Cc1ccc(N([C@@H](C)C(=O)N[C@H](C)COc2ccccc2C)S(C)(=O)=O)cc1Cl 260591966 ODVMYIMDGRJGLI-SJORKVTESA-N 438.977 3.695 0 40 IHAB Cc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1nnc(SC(C)C)s1)S(C)(=O)=O 260767388 NOACHFSCCGEPHN-LLVKDONJSA-N 449.023 3.794 0 40 IHAB CCn1c(C(=O)N2CCNC(=O)[C@H]2c2ccccc2Br)cc2ccccc21 503806654 VAOHMWFLECTNQN-LJQANCHMSA-N 426.314 3.737 0 40 IHAB O=C(CSc1ccccc1C(=O)NCCC1CCOCC1)Nc1ccc2c(c1)OCO2 510738102 ZHSQVJIMQIAYQQ-UHFFFAOYSA-N 442.537 3.693 0 40 IHAB O=C(CSc1nnc(-c2ccncc2)n1C[C@H]1CCCO1)Nc1ccccc1Cl 915375 BBPXOAVVBXUIQG-OAHLLOKOSA-N 429.933 3.903 0 40 IHAB CCOC(=O)[C@H](Cc1ccc(NC(=O)c2ccccc2)cc1)N1C(=O)c2ccccc2C1=O 1023074 LWSVVIKOILUTLM-QFIPXVFZSA-N 442.471 3.709 0 40 IHAB CC[C@@H](C)[C@H](NC(=O)[C@@H](C)NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 4761227 UROYZANJRMCQNS-OPYAIIAOSA-N 426.513 3.576 0 40 IHAB O=C(Nc1ccnn1Cc1cccc(Cl)c1)c1cccc(S(=O)(=O)N2CCCC2)c1 8879440 VZEUMUAKTPQWSC-UHFFFAOYSA-N 444.944 3.622 0 40 IHAB C[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)NCc1ccc2c(c1)OCO2 8901798 JKTROVUISKDITR-ZDUSSCGKSA-N 442.566 3.791 0 40 IHAB CC(=O)NCc1ccc(-c2csc(NC(=O)[C@]3(C)Cc4ccccc4C(=O)O3)n2)cc1 9364617 PETADIMTWXQOTD-QHCPKHFHSA-N 435.505 3.557 0 40 IHAB O=C(NCc1ccc2c(c1)OCO2)c1cnn2c1N[C@H](c1ccco1)C[C@H]2C(F)(F)F 9435629 QEUXTBPRMWXTLL-GUYCJALGSA-N 434.374 3.795 0 40 IHAB CCOc1ccc(S(=O)(=O)NCc2ccncc2)cc1NC(=O)c1ccc(Cl)cc1 10060041 HCXQYDGJAULBPM-UHFFFAOYSA-N 445.928 3.865 0 40 IHAB Cc1cccc(N(CC(=O)NCCCN2CCCCCC2)S(=O)(=O)c2ccccc2)c1 10111125 RDCPBOLHYWCSDM-UHFFFAOYSA-N 443.613 3.573 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2ccco2)CCC3)c(OC)c1 11025657 JNWXOHSOLPTTMF-UHFFFAOYSA-N 442.493 3.691 0 40 IHAB Cc1sc2nc(C(C)C)n([C@H]3CCCN(CC(=O)NC4CCCC4)C3)c(=O)c2c1C 12184146 GFNHPCXODPWMHA-SFHVURJKSA-N 430.618 3.894 0 40 IHAB Cc1ncc(-c2ccccn2)c(-c2ccc(CNC(=O)CCCN3CCCC3=O)cc2)n1 12257105 DCWQZTYPRTXFNU-UHFFFAOYSA-N 429.524 3.533 0 40 IHAB O=C(NC1CC1)c1ccc(CN(C2CC2)S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 12747172 IKXWVLVVYYTSOA-UHFFFAOYSA-N 438.471 3.951 0 40 IHAB CN(CC(=O)NCc1ccco1)CC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 12824572 PHSURXSMKRXMSG-UHFFFAOYSA-N 427.888 3.912 0 40 IHAB CC(C)n1ncc2cc(NC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cnc21 12977207 WLRTYVGWSUEUSA-OAHLLOKOSA-N 443.573 3.615 0 40 IHAB Cc1nc(-c2cccc(NC(=O)CN3CCOCC3)c2)sc1C(=O)Nc1ccccc1 12980404 NRLYXZAOTDDOBN-UHFFFAOYSA-N 436.537 3.642 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CN2CCCc3cc(C)ccc32)c1 13056284 JLTSHCLDDZUIMI-UHFFFAOYSA-N 429.586 3.725 0 40 IHAB CN(CC(=O)NCC(=O)Nc1ccc(F)cc1)Cc1ccc(-c2ccc(Cl)cc2)o1 13108021 UXMWUJKVRLVEDV-UHFFFAOYSA-N 429.879 3.926 0 40 IHAB COc1cccc(-c2cc(=O)[nH]c(N3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)c1 13611790 TYDWHFWJNQTNSG-UHFFFAOYSA-N 430.430 3.791 0 40 IHAB CCOC(=O)N[C@](Nc1nc2ccc(OCC)cc2s1)(C(=O)OCC)C(F)(F)F 13756345 ZHZBBMLWTPTIMU-MRXNPFEDSA-N 435.424 3.675 0 40 IHAB CCOc1ccc(CC(=O)NC[C@@H](c2ccco2)S(=O)(=O)c2ccc(OC)cc2)cc1 15781137 HHVMJCALFNLRNY-QFIPXVFZSA-N 443.521 3.561 0 40 IHAB O=C(CN(C(=O)c1csnn1)c1cccc(C(F)(F)F)c1)NCCc1ccccc1 15936147 GDMQFFLYASLWDW-UHFFFAOYSA-N 434.443 3.563 0 40 IHAB Cc1ccc(-c2noc(-c3cccn(CC(=O)NCc4ccccc4Cl)c3=O)n2)cc1 16843509 QXSPEQZCFUERBJ-UHFFFAOYSA-N 434.883 3.844 0 40 IHAB O=C(c1cccc(C(F)(F)F)c1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 17186537 ZYINZNRUGHRLBI-UHFFFAOYSA-N 432.851 3.506 0 40 IHAB Cc1cc(OCC(=O)N2CCO[C@@H](c3nc(-c4ccccc4C)no3)C2)ccc1Cl 19237495 RLXREGUDRQLOHI-LJQANCHMSA-N 427.888 3.986 0 40 IHAB COc1cccc(-c2cc(-c3cccnc3)nn2CCNC(=O)[C@H](C)n2nccc2C)c1 19238330 HWLDLVALDQPKBX-SFHVURJKSA-N 430.512 3.503 0 40 IHAB O[C@@H](CN1CCC2(CC1)C[C@@H](O)c1cc(Cl)ccc1O2)c1ccc2c(c1)OCCCO2 19345570 LVSJIPRAZOCYOB-UXHICEINSA-N 445.943 3.885 0 40 IHAB Cc1cc2ccccc2n1CC(=O)N1CCC[C@@H](c2ccc(-c3cnc(N)nc3)cn2)C1 19689199 CRTSOVDFBNYTSW-HXUWFJFHSA-N 426.524 3.790 0 40 IHAB Cc1c(C(=O)N2CCc3nc(N)c(C(=O)NCc4ccccc4)cc3C2)[nH]c2ccccc12 19701054 UEDPLZGEQKYHPD-UHFFFAOYSA-N 439.519 3.582 0 40 IHAB Cc1ccccc1OCCNC(=O)c1ccc([C@@H]2CCCN(Cc3ccccn3)C2)nc1 19706058 SAGXRYBDZRUJKS-JOCHJYFZSA-N 430.552 3.973 0 40 IHAB O=C(Nc1nccs1)c1ccc([C@H]2CCCN2C(=O)c2ccc3nsnc3c2)nc1 19708157 MGPRMFQQISLQDQ-QGZVFWFLSA-N 436.522 3.772 0 40 IHAB Cc1nc([C@H]2CCCN2C(=O)C2CCCC2)nc2c1CC(=O)N2CCc1ccc(F)cc1 19739808 IDJNDWDFBIQUHQ-OAQYLSRUSA-N 436.531 3.910 0 40 IHAB COc1ccccc1CCC(=O)N1CC[C@@H](c2cc(C(=O)N(C)C)c3ccccc3n2)C1 19761798 BRPHUIVEWFNUGG-LJQANCHMSA-N 431.536 3.894 0 40 IHAB NC(=O)CCN1CCN(CCO[C@H]2Cc3cc(Cl)ccc3Sc3ccccc32)CC1 19801923 RRMSMKQFFNOZRL-FQEVSTJZSA-N 446.016 3.598 0 40 IHAB COc1ccccc1C(=O)Nc1cccc(C(=O)OCc2cc(=O)n3c(C)csc3n2)c1 21633100 BHOYEBGOERNYEO-UHFFFAOYSA-N 449.488 3.682 0 40 IHAB CCOc1cccc(CNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2cccs2)c1 22396750 OZNPEQWLECDBFI-UHFFFAOYSA-N 448.541 3.798 0 40 IHAB CCOC(=O)C1CCN([C@H](c2ccc(OCC)cc2)c2sc3nc(C)nn3c2O)CC1 22626261 VCBAANHWUWEIGG-GOSISDBHSA-N 444.557 3.568 0 40 IHAB O=S(=O)(c1ccc2c(c1)CCCC2)N1CCN(Cc2coc(-c3cccs3)n2)CC1 23935708 IUCCNUZFJFIWKY-UHFFFAOYSA-N 443.594 3.788 0 40 IHAB Fc1ccc(C(c2ccc(F)cc2)N2CCN(c3nnnn3-c3ccccc3)CC2)cc1 23982384 KBQFNNOKZMGYSN-UHFFFAOYSA-N 432.478 3.852 0 40 IHAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)Cn2nnc(-c3ccsc3)n2)cc1 23982999 VFDIROMPZAQTJO-NRFANRHFSA-N 444.520 3.788 0 40 IHAB Cc1cccc(OCCCNC(=O)c2cc(S(=O)(=O)NCc3ccco3)ccc2C)c1 24240950 AEBLCSARZMZSOE-UHFFFAOYSA-N 442.537 3.574 0 40 IHAB CCCCc1noc([C@H](C)Sc2nnc3n(CCCOC)c(=O)c4ccccc4n23)n1 24837702 CAAOMVHCDGKVSX-AWEZNQCLSA-N 442.545 3.660 0 40 IHAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cc1 27593052 SPJARLJIXSHKLC-IBGZPJMESA-N 427.549 3.864 0 40 IHAB O=C(Cn1c(SC(F)F)nc2ccccc21)NCc1ccc(Cn2cccn2)cc1 29230099 RFDCGEDZZKUUOO-UHFFFAOYSA-N 427.480 3.912 0 40 IHAB C[C@@]1(c2cccc3ccccc23)NC(=O)N(CCS(=O)(=O)c2ccc(Cl)cc2)C1=O 29846556 UQMVPEGZHXMNCZ-QFIPXVFZSA-N 442.924 3.734 0 40 IHAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 30871183 RMJBTDBLZIYSCZ-OAQYLSRUSA-N 441.509 3.687 0 40 IHAB Cc1ccc2[nH]cc([C@@H](C(=O)O)N3CCN(CCOc4ccc(Cl)cc4)CC3)c2c1 32093238 UGRIRRHXHGXIQW-QFIPXVFZSA-N 427.932 3.952 0 40 IHAB CCCn1nc(C(=O)N(C/C=C/c2ccccc2)c2ccc3c(c2)OCCO3)ccc1=O 32479459 DGYHUGYOGUHICQ-RMKNXTFCSA-N 431.492 3.785 0 40 IHAB Cc1ccccc1OCCSCC(=O)Nc1cc(S(=O)(=O)N(C)C)cc(C)c1C 32909399 NPXRDBWEYLWRAI-UHFFFAOYSA-N 436.599 3.613 0 40 IHAB CCOc1ccccc1-c1noc(CSc2nc3[nH]ncc3c(=O)n2-c2ccccc2)n1 33292199 HPIMGNPBWGZLLF-UHFFFAOYSA-N 446.492 3.850 0 40 IHAB Cc1cccc(NC(=O)CSc2nnc([C@@H](C)NC(=O)c3ccccc3Cl)n2C)c1 35153474 NSZPPLGOPLMTRS-CQSZACIVSA-N 443.960 3.999 0 40 IHAB CSCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)Nc1ccc(C(C)C)cc1 35380348 MKQCTEQDNIYCNA-VXKWHMMOSA-N 425.598 3.701 0 40 IHAB CCOc1ccc(-c2ccc(N3CCN(C(=O)Cc4noc5ccccc45)CC3)nn2)cc1 38488080 UHVUEDWIYHEDMK-UHFFFAOYSA-N 443.507 3.575 0 40 IHAB O=C(Cn1c(=O)oc2ccccc21)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1 38677496 ZIDBMRMVTSNKTC-UHFFFAOYSA-N 433.489 3.888 0 40 IHAB Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)c(C)c1 38818377 TVSXCYDGVDCAJC-UHFFFAOYSA-N 440.525 3.529 0 40 IHAB COc1ccc(NC(=O)Cn2cc(-c3nc(-c4ccc(C)cc4)no3)ccc2=O)cc1OC 49005916 VDRIVRBHYIZSQO-UHFFFAOYSA-N 446.463 3.530 0 40 IHAB Cc1cc(C)cc(Oc2nccn3c(=O)n(CC(=O)Nc4c(C)cc(C)cc4C)nc23)c1 49008654 QNNIJNHWSXIHCM-UHFFFAOYSA-N 431.496 3.864 0 40 IHAB CCc1nnc2c(S(=O)(=O)N(Cc3cc(F)cc(F)c3)c3ccccc3)cccn12 49404832 LYBLRLBUKWIDDL-UHFFFAOYSA-N 428.464 3.965 0 40 IHAB CCOC(=O)CCc1c(C)c2ccc3c(c2oc1=O)CN(Cc1ccc(OC)cc1)CO3 57143018 LQKGUSVLRJQKHZ-UHFFFAOYSA-N 437.492 3.958 0 40 IHAB CC[C@H]1CCCCN1C(=O)Cn1c(=O)n(Cc2ccc(C)c(C)c2)c(=O)c2sccc21 57426972 FPLLTVJUMTVSSF-IBGZPJMESA-N 439.581 3.681 0 40 IHAB Cc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3cc(C)ccc3C)c(N)n2)cc1 57510461 UNAHFNSNFGZUBC-UHFFFAOYSA-N 442.566 3.548 0 40 IHAB CCc1nnc2c(=O)n(CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c3ccccc3n12 57522834 FCEAZEQEIGGFNJ-UHFFFAOYSA-N 449.820 3.918 0 40 IHAB CCOC(=O)Cn1ccc2cc(NC(=O)[C@H]3CC(=O)N(c4cccc(Cl)c4)C3)ccc21 69414227 ALDGFXUPHPSLCI-INIZCTEOSA-N 439.899 3.849 0 40 IHAB Cc1ccc(NC(=O)C(=O)NCC2CCN(c3nc4ccccc4s3)CC2)cc1F 70900011 FTFIPKVJURAQDM-UHFFFAOYSA-N 426.517 3.715 0 40 IHAB CC(C)(C)OC(=O)N1CCN(C(=O)CCCc2nc(-c3cccs3)no2)C(C)(C)C1 72298157 MAELTMLFBSTGCR-UHFFFAOYSA-N 434.562 3.979 0 40 IHAB Cc1cc2nc(C3CCN(C(=O)Cn4nc(C)c(C)c4C)CC3)cc(C(F)(F)F)n2n1 72340830 QMMICTOWTBTRQG-UHFFFAOYSA-N 434.466 3.584 0 40 IHAB CC(C)(C)OC(=O)N(CC1CC1)C1CCN(C(=O)c2ccc3c(c2)NC(=O)CS3)CC1 79024643 WWVNYAWCUYMXCQ-UHFFFAOYSA-N 445.585 3.983 0 40 IHAB COc1cccc(CN2Cc3ccccc3[C@]23CO[C@@H](C(=O)N(C)Cc2ccccn2)C3)c1 96143958 YRLILHNLLBKCDK-VPUSJEBWSA-N 443.547 3.749 0 40 IHAB CC(C)n1cnc2c(-c3cnn(C)c3)nc(C3CCN(C(=O)c4ccncc4)CC3)cc21 96267200 ANXNGMLHPZOASN-UHFFFAOYSA-N 429.528 3.828 0 40 IHAB CC(=O)c1ccc(OC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H]([C@H]6C[C@H]56)[C@H]4C3=O)c2)cc1 101231833 SYHZFNWVMRIJCN-UKIRVEGOSA-N 427.456 3.666 0 40 IHAB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(OC(=O)c3ccc(OC)cc3)cc2)C1=O 205692611 WGALYMFTBLFSNQ-LDADJPATSA-N 441.461 3.514 0 40 IHAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl 219286686 BEFJGRBEORILQU-QGZVFWFLSA-N 438.933 3.752 0 40 IHAB Cc1ccc(OCCNC(=O)c2cccc(N(C)S(=O)(=O)c3ccc(C)cc3)c2)cc1 222548442 RBRNQWJRXLGSBR-UHFFFAOYSA-N 438.549 3.937 0 40 IHAB COc1ccc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(C)c1C 223512866 NWADUZVSXRKHHC-UHFFFAOYSA-N 428.476 3.842 0 40 IHAB CC(C)(C)c1ccc(OCCNC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1 223635835 LZNKDCKIJVOLDD-UHFFFAOYSA-N 438.977 3.599 0 40 IHAB COc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc(OC)c(C(C)C)c3)n2)cc1 223773991 WELWPSFQVSDWKB-UHFFFAOYSA-N 431.514 3.698 0 40 IHAB CCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc2c(c1)OCO2 224809517 ISSDUSYETNBCJX-INIZCTEOSA-N 430.932 3.945 0 40 IHAB Cc1ccc(C)c(N([C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)S(C)(=O)=O)c1 224871368 QPMXDYPFOZUNPZ-AWEZNQCLSA-N 430.448 3.995 0 40 IHAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1cc(OC)cc(OC)c1 225079281 INZCHRFVERUWJK-RTBURBONSA-N 442.556 3.723 0 40 IHAB O=C(NC1CCN(c2cc(C(F)(F)F)ncn2)CC1)c1ccccc1OC(F)(F)F 225724807 GEFLOYOPLMGPHV-UHFFFAOYSA-N 434.340 3.793 0 40 IHAB COc1ccc([C@H](C)NC(=O)Cc2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1 225979670 CBVSIKGOIHFTNX-SFHVURJKSA-N 438.549 3.940 0 40 IHAB Cc1cc(-c2cnc3cc(C)nn3c2[C@H]2CCCN(CC(=O)N3CCCC[C@H]3C)C2)on1 257276900 NVPJGCQMTSASER-MOPGFXCFSA-N 436.560 3.582 0 40 IHAB Cc1n[nH]c(C)c1CNC(=O)[C@]1(C)CCCN(C(=O)c2cc3c(Cl)cccc3[nH]2)C1 257290115 QBQHWMLIKPWPDR-JOCHJYFZSA-N 427.936 3.720 0 40 IHAB CN(CCc1ccccc1)[C@H]1[C@H](NC(=O)OC(C)(C)C)C[C@@H](Oc2ccccc2F)[C@@H]1O 257318723 VPBXHZBUSOBEOQ-LGKPFJOYSA-N 444.547 3.774 0 40 IHAB O=C(CC[C@H](O)c1ccc(F)cc1)N1CCC(c2cncc(Nc3ccccn3)n2)CC1 257336390 YOEWBCREKKAXCO-NRFANRHFSA-N 435.503 3.974 0 40 IHAB O=C(NC1CCCC1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl 408596850 SQOZAEBCIORVHJ-GOSISDBHSA-N 441.380 3.942 0 40 IHAB Cc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@@H]3CC[C@@H](C)C[C@H]3C2=O)c1 408660460 LOAFARUSGIAFMS-CDHQVMDDSA-N 434.492 3.716 0 40 IHAB CS(=O)(=O)N(CC(=O)Nc1ccc(F)c(Cl)c1)c1ccc(Br)cc1 409024774 NVEIWCNABRWVNG-UHFFFAOYSA-N 435.702 3.646 0 40 IHAB Cc1ccccc1C(=O)N[C@H](C)c1nnc(SCC(=O)Nc2cccc(Cl)c2)n1C 409351376 UBKKESPKOHMSPF-CQSZACIVSA-N 443.960 3.999 0 40 IHAB CC(=O)N1CCC(CNCc2cc(Br)ccc2OCc2ccccn2)CC1 518275432 DTIGFWBEEUZTTG-UHFFFAOYSA-N 432.362 3.771 0 40 IHAB CC(C)N1[C@H]2CC[C@@H]1CCNc1ccccc1CN(C(=O)Cn1cc(C(F)(F)F)cn1)C2 643576211 RKZCYXBBUSSVJE-UXHICEINSA-N 449.521 3.988 0 40 IHAB Cc1ccccc1N1CCN(C(=O)c2ccccc2NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)CC1 627446 IOWZLWSWIYORIW-PMACEKPBSA-N 447.535 3.563 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)c2ccc(C)cc2)cc1 1148635 RNDFWOFEROWYIU-YCRNBWNJSA-N 442.581 3.894 0 40 IHAB O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCC(Cc2ccccc2)CC1 1458426 LEMUJQKQJCOLGK-OAQYLSRUSA-N 444.572 3.708 0 40 IHAB CCOc1cccc(-c2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)n2N)c1 2438210 DICQZSUSQSSUFB-UHFFFAOYSA-N 437.447 3.807 0 40 IHAB CCOc1ccccc1NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC[C@@H]2C)c1 3472586 AUFJXSARSHCURA-INIZCTEOSA-N 432.542 3.909 0 40 IHAB COc1cc(C(=O)N(Cc2ccco2)Cc2cc3ccccc3[nH]c2=O)cc(OC)c1OC 8666644 XHXBGWUZEJJSLQ-UHFFFAOYSA-N 448.475 3.990 0 40 IHAB COc1cccc(NC(=O)Cc2nnc(SCCOc3ccc(Cl)cc3)n2C)c1 9263744 CBFGBUMAGKSURE-UHFFFAOYSA-N 432.933 3.829 0 40 IHAB C[C@H]1Cc2ccccc2N1C(=O)CN(Cc1ccco1)S(=O)(=O)c1ccccc1F 9336898 ASXLMFZYSMXTOR-INIZCTEOSA-N 428.485 3.587 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCOc1ccc2ccccc2c1 9377028 XWSRDUOLABKOFF-UHFFFAOYSA-N 438.549 3.742 0 40 IHAB O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)Nc1ccc2c(c1)OCCO2 9463495 HJYXZPQKXSQXGE-UHFFFAOYSA-N 445.504 3.831 0 40 IHAB Cc1nc2ccccc2c(=O)n1-c1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1 9715084 JBIGLNAPSQWSBG-UHFFFAOYSA-N 427.432 3.773 0 40 IHAB CN(C)S(=O)(=O)c1cccc(COC(=O)c2cc3c(s2)-c2ccccc2OC3)c1 9817183 IMABGQIOGQFFCA-UHFFFAOYSA-N 429.519 3.915 0 40 IHAB Cc1cc2c(=O)n(Cc3ccco3)c(SCC(=O)Nc3ccc(O)cc3)nc2s1 9970684 NGWMJONWEJWHMI-UHFFFAOYSA-N 427.507 3.844 0 40 IHAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(C(C)C)cc3)C2)c1 10059469 VRZILIXLONLTLB-GOSISDBHSA-N 446.569 3.867 0 40 IHAB Oc1ccc([C@H]2c3c(-c4ccc(Cl)cc4Cl)nnc(O)c3Nc3nnnn32)cc1 10298344 UHKLENLWOYYNQP-INIZCTEOSA-N 428.239 3.543 0 40 IHAB O=C(CSc1ncc(C(F)(F)F)cc1Cl)NCCc1ccc2c(c1)OCCO2 11364522 LGCOXUDSFFCXER-UHFFFAOYSA-N 432.851 3.976 0 40 IHAB COc1ccc(-c2cc3nc([C@H](C)NC(=O)C4(c5ccccc5F)CC4)nn3cn2)cc1 12085182 KROFWMZDODWLFZ-HNNXBMFYSA-N 431.471 3.848 0 40 IHAB COc1cc(C)c(CN2CCC(c3ncc(Cl)cc3S(C)(=O)=O)CC2)cc1OC 12186977 DUEMNFRDIWSIPE-UHFFFAOYSA-N 438.977 3.844 0 40 IHAB COc1ccc([C@@H](CNC(=O)c2n[nH]c(=O)c3ccccc23)Cc2ccccc2)cc1OC 12371224 JBPPNNUXNKQQCW-LJQANCHMSA-N 443.503 3.697 0 40 IHAB CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)NS(=O)(=O)c3c(C)noc3C)ccc21 12527279 VZVNSFQVZHEROX-CQSZACIVSA-N 440.525 3.725 0 40 IHAB COc1cc(NC(=O)c2ccccc2)c(C(=O)N2CCN(c3ccccc3)CC2)cc1OC 12533522 QVBHPIHMDUDLRP-UHFFFAOYSA-N 445.519 3.919 0 40 IHAB CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)CN1CCC[C@@H](C(=O)OCC)C1 12568142 YQMYTPAAHONPJE-OAHLLOKOSA-N 448.541 3.707 0 40 IHAB Cc1ccc(NC(=O)CN2CCC(NC(=O)Cc3ccccc3)CC2)c(Br)c1 12644437 GVTOGGSNQIHWTN-UHFFFAOYSA-N 444.373 3.519 0 40 IHAB CC(=O)Nc1sc(C)c(C)c1C(=O)O[C@@H]1CCCCN(C(=O)c2ccc(F)cc2)C1=O 12743928 KSMZFNDADBYBBG-QGZVFWFLSA-N 446.500 3.841 0 40 IHAB O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 12783345 OMQNGOWLEPHWEZ-MRXNPFEDSA-N 429.416 3.882 0 40 IHAB COc1ccc2c(C)c(CCC(=O)O[C@@H](C)C(=O)N3CCc4ccccc43)c(=O)oc2c1 12835170 VIRNMFILTFANIY-INIZCTEOSA-N 435.476 3.564 0 40 IHAB CC[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 12864733 MICDTNYKBXNWCV-CGSPVCNISA-N 439.552 3.983 0 40 IHAB biogenic CC(C)C(=O)N1CCN(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cccs2)CC1 12887255 FLXWJGKAKWKWDJ-ZHACJKMWSA-N 434.565 3.941 0 40 IHAB O=C(C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)N1CCC[C@H]2CCCC[C@@H]21 12900535 CLPRRILOWUFJJW-ZBFHGGJFSA-N 436.482 3.541 0 40 IHAB COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)CCc2ccc(Cl)cc2Cl)cc1 12910974 OCEHQWMPHIEARG-CYBMUJFWSA-N 445.368 3.878 0 40 IHAB CCN(Cc1cccc(F)c1)C(=O)CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 12917813 JXORERQYFSIENS-UHFFFAOYSA-N 440.515 3.540 0 40 IHAB O=C(Nc1ccc2c(c1)OCCCO2)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 12919536 CJNWWFNTSGYEIH-CYBMUJFWSA-N 431.286 3.602 0 40 IHAB Cc1ccc([C@H](CN2CCOCC2)NS(=O)(=O)c2c(Cl)cccc2Cl)cc1 12993416 VIZHRFUQZSFGIO-SFHVURJKSA-N 429.369 3.654 0 40 IHAB Fc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCN(c3ccccc3)CC2)cc1 13504610 NICSLJXNWDNRFR-XMMPIXPASA-N 428.515 3.772 0 40 IHAB Cc1csc(NC(=O)CCC(=O)N(CC(=O)NC2CCCCC2)c2ccccc2)n1 13509598 KIHCAIYAGUOTGW-UHFFFAOYSA-N 428.558 3.652 0 40 IHAB CC(C)(C)C(=O)N1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C(C)(C)C)C4)CC1 13513513 FZOLDKNZRJUOMI-HNNXBMFYSA-N 444.645 3.826 0 40 IHAB CC(C)(C)c1ccc(OC[C@H](O)CN2C(=O)N[C@]3(CCCc4sccc43)C2=O)cc1 14167106 AIFCLJHNHTWDOG-MWTRTKDXSA-N 428.554 3.569 0 40 IHAB CN(Cc1ccco1)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc3C2)c1 14200079 XJCSPEXFSYYWQG-UHFFFAOYSA-N 444.940 3.952 0 40 IHAB CCOc1c(Br)cc(C(=O)NCc2ccnc(N3CCCC3)c2)cc1OC 14246787 ZUEBVSBRNNQILX-UHFFFAOYSA-N 434.334 3.782 0 40 IHAB O=C(CCCc1cccs1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 15931603 KOJWXNCXSAUXPV-UHFFFAOYSA-N 447.409 3.911 0 40 IHAB O=C(O)c1cc(-c2ccc3c(c2)OCCO3)nc2c(I)cccc12 16430969 YCHIGLSOBLNTNH-UHFFFAOYSA-N 433.201 3.976 0 40 IHAB COc1ccc(Cl)cc1NC(=O)CN(C)[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 16626251 NNKYULOFHAWHJU-NSDYXAQKSA-N 433.980 3.692 0 40 IHAB Cc1cc(OCC(=O)N(Cc2ccccc2F)[C@@H]2CCS(=O)(=O)C2)cc(C)c1Cl 16750661 ZQSIOTVXZINQHK-QGZVFWFLSA-N 439.936 3.691 0 40 IHAB COc1ccc(OC)c([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)c1 17722032 VQCOQBCTHBUVPH-ZLNRFVROSA-N 448.450 3.894 0 40 IHAB Cc1cc(C(F)F)nn1CC(=O)NCCn1ncc(-c2ccncc2)c1-c1cccs1 19119250 KWCZCIIVWUMIDP-UHFFFAOYSA-N 442.495 3.933 0 40 IHAB Cc1cc(-c2cnc3cc(C)nn3c2[C@H]2CCCN(CC(=O)NC3CCCCC3)C2)on1 19124175 SCHCTCYZEBBKQO-SFHVURJKSA-N 436.560 3.629 0 40 IHAB Cc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@H](O)c3ccc4c(c3)OCCCO4)CC1)O2 19219289 CDRIOIPMAHWFRW-RTWAWAEBSA-N 425.525 3.540 0 40 IHAB COc1ccc(C(=O)N2CCC(c3nc(-c4ccsc4)cc(=O)[nH]3)CC2)c(OC)c1 19551892 OKAOEQZIRWWREG-UHFFFAOYSA-N 425.510 3.535 0 40 IHAB Cc1nc([C@]2(O)CCCN(c3ncccn3)CC2)sc1CCOc1ccccc1F 19738700 PAYNOYKJEBBRLF-QFIPXVFZSA-N 428.533 3.880 0 40 IHAB Cc1nc(C2CCN(C(=O)CCCc3ccc(F)cc3)CC2)ncc1C(=O)N1CCCC1 19766433 GXKVPRMJGZVVQI-UHFFFAOYSA-N 438.547 3.889 0 40 IHAB O=C(NCCCc1ccc(Cl)cc1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 20036693 ULXNXGINJWVUNW-MRXNPFEDSA-N 426.991 3.551 0 40 IHAB Cc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1ccc2c(c1)OCCO2 20063237 QCZMUWFBEVISMB-UHFFFAOYSA-N 436.489 3.581 0 40 IHAB CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccc(C)cc1 20491099 HEUBGLUUUJKXDU-FQEVSTJZSA-N 436.961 3.550 0 40 IHAB CCOc1cc(C(=O)OCc2cc(=O)n3cc(C)sc3n2)cc(OCC)c1OCC 20991610 GTZIFAZWFCGYBB-UHFFFAOYSA-N 432.498 3.618 0 40 IHAB COc1ccc(N(CC(=O)N(C)C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 21192548 TUJTTZNEZTTWBE-UHFFFAOYSA-N 430.570 3.990 0 40 IHAB COc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)CC1=O 21692792 SVAMNIWZFFGDMD-LBPRGKRZSA-N 437.279 3.537 0 40 IHAB C[C@H](Sc1nc(CN2CCOCC2)nc2ccccc12)C(=O)N1CCCc2ccccc21 22358719 JFXAMIZMQAXARS-SFHVURJKSA-N 448.592 3.922 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)N(C)C2CCCC2)c2cccc(Cl)c2)cc1 22516391 FFUQXNFPTOIHPR-UHFFFAOYSA-N 436.961 3.945 0 40 IHAB O=C(NCCC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2)c1cccs1 24592875 ORIKCYVZFWNUEK-UHFFFAOYSA-N 428.535 3.934 0 40 IHAB Cc1nc(COc2ccc(C(=O)Nc3cc4c(cc3Br)OCCO4)cc2)no1 24946871 RGOPDTGWEZPBDV-UHFFFAOYSA-N 446.257 3.743 0 40 IHAB CC(=O)c1cc2c(cc1NC(=O)CNc1ccccc1C(=O)NCc1ccccc1)OCO2 24976832 WEDFFDXUGFFHQG-UHFFFAOYSA-N 445.475 3.599 0 40 IHAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 29284672 OHNYIILARIUZJI-XBXARRHUSA-N 434.414 3.672 0 40 IHAB COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccccc2OC(F)F)CC1 30684141 MJFFVTXAYZLHQA-GOSISDBHSA-N 438.858 3.614 0 40 IHAB CC(=O)c1ccc(C)cc1OC(=O)c1nc(S(=O)(=O)Cc2ccccc2)ncc1Cl 32624111 WJWVUOAGWVFESK-UHFFFAOYSA-N 444.896 3.834 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccc(NC(=O)OC)cc1 32765679 CDGLWFYALNFABU-UHFFFAOYSA-N 449.529 3.546 0 40 IHAB Cc1nc2ccccc2nc1CCNS(=O)(=O)c1ccc(Br)cc1Cl 32824097 NQBAYBXKCXWVFD-UHFFFAOYSA-N 440.750 3.875 0 40 IHAB Cc1nn2c(nc(Sc3nnc(CCC(N)=O)n3CC(C)C)c3ccccc32)c1Cl 32857599 IZYZYJWINGMXMN-UHFFFAOYSA-N 443.964 3.661 0 40 IHAB CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1ccc(C(F)(F)F)nc1O 32904964 BOPJMFZGCGCWJE-UHFFFAOYSA-N 440.809 3.748 0 40 IHAB COc1ccc(NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2cccs2)cc1 32957790 ZLNXGHOVPWJZLS-UHFFFAOYSA-N 432.523 3.599 0 40 IHAB CSCC[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NC1CCCCC1 33019333 BWTVPOWZABCXAN-HNNXBMFYSA-N 439.430 3.842 0 40 IHAB COc1cccc(NC(=O)c2cc(-c3ccc(C)c(C)c3)n([C@H]3CCS(=O)(=O)C3)n2)c1 33325850 KWELQNRPVSJHKJ-IBGZPJMESA-N 439.537 3.787 0 40 IHAB COc1ccc(CN(C)C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)c(OC)c1OC 39982781 IUKGHHONXNKCAV-UHFFFAOYSA-N 432.904 3.765 0 40 IHAB COC(=O)c1cccc2c1CCCN2C(=O)Cc1csc(NC(=O)c2ccccc2)n1 40040692 SIMYRXHFZJBXOB-UHFFFAOYSA-N 435.505 3.704 0 40 IHAB Cc1ccc(C(=O)NCc2ccc(CN3CCC[C@@H](C)C3)cc2)cc1NS(C)(=O)=O 40107929 OPJHEPXXXFAXDM-QGZVFWFLSA-N 429.586 3.528 0 40 IHAB Cc1ccc(Nc2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2cccc(Cl)c2C)CC(=O)N3)cc1 40400513 QDKYKDXLWUNPPV-CQSZACIVSA-N 437.887 3.848 0 40 IHAB Cc1ccc(NC(=O)c2ccccc2F)c(OCc2cc(=O)n3c(ncn3C(C)C)n2)c1 41089813 PUXDAUFUQBVWGX-UHFFFAOYSA-N 435.459 3.751 0 40 IHAB O=C(NC12CC3CC(CC(C3)C1)C2)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 44843565 KEMNZULEBMCDNK-IZJILKLZSA-N 444.641 3.746 0 40 IHAB COc1ccccc1-c1noc(Cn2c(=O)n(-c3ccc(C)cc3)c(=O)c3sccc32)n1 48986437 ZZWUGKSUFBJMQU-UHFFFAOYSA-N 446.488 3.629 0 40 IHAB CCc1ccccc1NC(=O)CN1CCN(C(=O)c2ccc3cc(OC)ccc3c2)CC1 58173818 YLXWLPLXYHTGRH-UHFFFAOYSA-N 431.536 3.807 0 40 IHAB Cc1c(C(=O)NC2CCCCC2)nnn1-c1cccc2c1CCN(Cc1ccncc1)C2 71890366 GBBYGZCDKFOIDM-UHFFFAOYSA-N 430.556 3.592 0 40 IHAB Cc1ccc(-c2cnc(CCC(=O)N[C@@H]3CC(=O)N([C@@H]4C[C@@H]4c4ccccc4)C3)o2)cc1 72303316 LNIRKGOQIGTSCS-YPAWHYETSA-N 429.520 3.856 0 40 IHAB CCOc1cc(C(=O)OCC(=O)NCc2ccc(F)cc2F)cc(OCC)c1OCC 72333856 SYZKEPPKHNJAPA-UHFFFAOYSA-N 437.439 3.634 0 40 IHAB Cc1cc(-c2cc(=O)n(CC(=O)NC3CCC(C)CC3)nc2-c2ccc(C)s2)on1 72337627 IHFMEKMQINQMLK-UHFFFAOYSA-N 426.542 3.939 0 40 IHAB O=C(CCS(=O)(=O)c1ccc(F)cc1)N1CCc2nc(-c3ccc(F)cc3)sc2C1 72391999 WZRRYSHYDGBFEP-UHFFFAOYSA-N 448.516 3.837 0 40 IHAB O=c1c2ccccc2ncn1CCSc1nnc(-c2cccs2)n1C[C@H]1CCCO1 78814676 JZQCQJKOENTTLT-OAHLLOKOSA-N 439.566 3.688 0 40 IHAB Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N(C)[C@@H]1CCC[C@H]1S(C)(=O)=O 78879493 HPMBFDPHFLZFPM-HZPDHXFCSA-N 442.990 3.722 0 40 IHAB Cc1nc2cc(C(=O)N3CC[C@H]4[C@@H](CCC(=O)N4C4CC4)C3)ccc2n1-c1ccccc1 89721637 RWOAFUWTAXCTIQ-CVDCTZTESA-N 428.536 3.949 0 40 IHAB C[C@@H]1CSc2ccc(Br)cc2[C@H]1NCC(=O)Nc1ccccc1C(N)=O 95995955 BFLSPJCRCZULNB-ZMZPIMSZSA-N 434.359 3.559 0 40 IHAB CS[C@H]1CN(C(=O)Nc2cccc(COCCOc3ccccc3)c2)C[C@H]1N(C)C 95996498 CWXTUUJFTIGVFC-YADHBBJMSA-N 429.586 3.792 0 40 IHAB COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 100123843 KJVGAKSWUZWNON-ZRBLBEILSA-N 430.460 3.755 0 40 IHAB O=C(NC1CCCCC1)c1c(N2C(=O)[C@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)sc2c1CCCCC2 102218730 SPZBOZXUDXQQSR-FVCZOJIISA-N 442.581 3.746 0 40 IHAB COc1ccc([C@H]2[C@H]3C(=O)N(C(C)C)C(=O)[C@@H]3ON2c2ccc(Cl)cc2)c(OC)c1 102864365 XHTNFIDJTKVFET-HSALFYBXSA-N 430.888 3.612 0 40 IHAB C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1)c1ccc(F)cc1 113971887 WQGGUJIVLRNUAB-CRAIPNDOSA-N 438.952 3.898 0 40 IHAB COc1ccc(S(=O)(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)cc1N1CCCC1=O 219228941 DIHHMXFJZYAJLD-SFHVURJKSA-N 444.553 3.711 0 40 IHAB COc1ccc([C@@H](CC(C)C)NC(=O)[C@H](C)N(c2cccc(F)c2)S(C)(=O)=O)cc1 220486871 OQBPMPDXKRKSLC-HRAATJIYSA-N 436.549 3.892 0 40 IHAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 222927989 ZBZHVDIPKOXJEL-QFIPXVFZSA-N 444.597 3.981 0 40 IHAB CC[C@H](NC(=O)CN(c1ccccc1OC)S(C)(=O)=O)c1ccc2c(c1)CCCC2 223047353 HDESAGAGHHIBPX-FQEVSTJZSA-N 430.570 3.608 0 40 IHAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc2c(c1)OCO2 223134907 CDHHQVHWWGYERZ-SJORKVTESA-N 428.504 3.819 0 40 IHAB COc1ccc(-c2noc(CNS(=O)(=O)c3cc(Cl)ccc3Cl)n2)c(OC)c1 223767409 CKZYDNZYZIZAGX-UHFFFAOYSA-N 444.296 3.539 0 40 IHAB O=C(NCC1CCCCC1)[C@H]1CN(S(=O)(=O)c2ccccc2)c2cc(Cl)ccc2O1 224503962 JWKPPHZQXCOKQU-OAQYLSRUSA-N 448.972 3.993 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)Cc3ccc(C)cc3)cc2)cc1 224548248 MBZLZXGZUNICTE-UHFFFAOYSA-N 446.550 3.746 0 40 IHAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 224887485 VBELRUKPWBDNHZ-UZLBHIALSA-N 446.569 3.577 0 40 IHAB CCc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(C)c1 225560641 DVKUDOHQGWDAIV-PKTZIBPZSA-N 433.581 3.984 0 40 IHAB O=C(c1ccccc1Cn1cccn1)N1CCC[C@H]1c1nc(Cc2ccc(F)cc2)n[nH]1 257337277 YSCYGFMVFZWJPG-NRFANRHFSA-N 430.487 3.757 0 40 IHAB CCC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OCC)cc2)cc1C 408674934 NAARLLVEZJZXDS-QGZVFWFLSA-N 434.558 3.878 0 40 IHAB COc1cc(C(=O)N2CCC(C(=O)Nc3cccc(Cl)c3)CC2)cc(OC)c1OC 409023482 DYJCFXLOIFFUGA-UHFFFAOYSA-N 432.904 3.857 0 40 IHAB CCn1c(CNC(=O)c2ccccc2C)nnc1SCC(=O)Nc1ccc(C)cc1C 409060950 XFHDBDMJFIACPV-UHFFFAOYSA-N 437.569 3.884 0 40 IHAB Cc1cccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccccc3C)[C@H]2c2ccc(Cl)cc2)c1 409061916 JYIPLLSJUOQTDN-WSBKAMHLSA-O 432.931 3.973 0 40 IHAB CCOc1ccc(N([C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)S(C)(=O)=O)cc1 409267189 TWTFWXFOTSBFIZ-CYBMUJFWSA-N 430.448 3.897 0 40 IHAB CC(C)c1ccc(-n2ccnc2SCC(=O)N2CCC[C@@H](c3ccnc(N)n3)C2)cc1 560695579 JIVBRHFQWJZOHB-GOSISDBHSA-N 436.585 3.866 0 40 IHAB Cn1c(=O)n(C)c2cc(CN3CCC(c4cccc(Nc5nccs5)n4)CC3)ccc21 2037834688 DCUAVLYBCJMGDT-UHFFFAOYSA-N 434.569 3.852 0 40 IHAB COc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 1289818 SBCDUCGKMGPALD-GFCCVEGCSA-N 437.279 3.537 0 40 IHAB COc1ccc(CNC(=O)CSc2nc(C(F)(F)F)cc(=O)n2-c2ccccc2)cc1 1394918 CXJVOAOOBRMMQG-UHFFFAOYSA-N 449.454 3.668 0 40 IHAB O=C(NCSc1ccnc(SCNC(=O)c2ccc(F)cc2)n1)c1ccc(F)cc1 2195421 LFBMKXWDSPGPGD-UHFFFAOYSA-N 446.504 3.714 0 40 IHAB COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccc(OCCC(C)C)c(OC)c1 2487011 WKDJGWYHAFCUHD-HXUWFJFHSA-N 432.542 3.943 0 40 IHAB COC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(C)o2)nc1C 3643326 NQARFMANGDQKSP-INIZCTEOSA-N 436.445 3.996 0 40 IHAB COc1ccc(OC)c([C@@H]2NC(=O)NC(C)=C2C(=O)OCCSc2ccccc2)c1 4017089 XRHSGTDPQYFKBO-FQEVSTJZSA-N 428.510 3.667 0 40 IHAB CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CCC(C)CC3)cc2c1 6198356 PHPDLRVLUJHSHL-XMMPIXPASA-N 442.567 3.947 0 40 IHAB Cc1ccc(OCC(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)cc2)cc1C 6280456 NEEDOCMSIIYHBX-UHFFFAOYSA-N 433.508 3.876 0 40 IHAB C[C@@H](Nc1ccc(Br)cc1)c1nnc(SCC(N)=O)n1-c1ccccc1 8456821 COPWLTCODUORDI-GFCCVEGCSA-N 432.347 3.780 0 40 IHAB COc1ccc(-c2nnc3n(CCc4ccccc4)c(=O)c4ccccc4n23)cc1OC 8688071 DVPDOKXVLZZTST-UHFFFAOYSA-N 426.476 3.971 0 40 IHAB Cc1sc2ncnc(N[C@H](C)C(=O)N3CCC(C(=O)N4CCCCCC4)CC3)c2c1C 8724261 AXWXUUBIHQFAGE-MRXNPFEDSA-N 443.617 3.750 0 40 IHAB CC(C)(C)N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)Nc1ccc(Cl)cc1)N1c3ccccc3C=C[C@H]21 9060856 BMQUXFUCWHHGEN-NCYKPQTJSA-N 449.938 3.962 0 40 IHAB CCN(CC)CCCNC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c(C)[nH]c2ccccc12 9226965 SELGGXLBTWGHFD-RUZDIDTESA-N 432.568 3.870 0 40 IHAB CCn1c(COc2ccc3ccccc3c2C)nnc1SCC(=O)Nc1nncs1 9303603 ITMMCZHYSDLYTH-UHFFFAOYSA-N 440.554 3.921 0 40 IHAB O=C(CSc1nnc(NC(=O)C23CC4CC(CC(C4)C2)C3)s1)Nc1nccs1 9366042 JNGAXHWNGHDIOO-UHFFFAOYSA-N 435.600 3.880 0 40 IHAB COC(=O)c1ccc(CNC(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)cc1 9441823 PKQOZQOXLNNVDF-UHFFFAOYSA-N 438.553 3.628 0 40 IHAB COCCNC(=O)c1c(NC(=O)CN2CCC[C@H]2c2cccs2)sc2c1CCCC2 9549534 RKCOQYRLODAUAY-INIZCTEOSA-N 447.626 3.840 0 40 IHAB C[C@H](Sc1nnc(NCc2ccc(F)cc2)s1)C(=O)NCc1ccc2c(c1)OCO2 9666811 AKNWLNDCKSARIR-LBPRGKRZSA-N 446.529 3.815 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1c(F)cccc1Cl 9704138 VCFCPHZSSJOSSG-UHFFFAOYSA-N 426.897 3.915 0 40 IHAB Cn1c(-c2ccc(F)cc2)cnc1NC(=O)CCC(=O)NCCc1ccc(Cl)cc1 9851309 OXZCVYBNZHDULX-UHFFFAOYSA-N 428.895 3.957 0 40 IHAB C[C@@H](NC(=O)CSc1ccc(S(=O)(=O)N2CCCC2)cn1)c1cc2ccccc2o1 9945436 YOXYUPIELSRWNQ-OAHLLOKOSA-N 445.566 3.582 0 40 IHAB Cc1cc(C(=O)CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)c(C)n1[C@@H](C)c1ccccc1 10024134 XKWNXZITYMZANI-SFHVURJKSA-N 443.503 3.888 0 40 IHAB Cc1cc(=O)oc2cc(OCC(=O)N3c4ccccc4NC(=O)C[C@H]3C)c(Cl)cc12 10214177 UZECIBQCMRKBOO-CYBMUJFWSA-N 426.856 3.898 0 40 IHAB COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)Nc2cccc(Cl)c2C)CC1 10302983 KRKSUAINOKOELV-UHFFFAOYSA-N 440.924 3.836 0 40 IHAB CN(Cc1ccccc1N1CCCCC1)C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 10899230 OPFFSMALVTXATG-UHFFFAOYSA-N 441.597 3.734 0 40 IHAB CS(=O)(=O)c1ccc2nc(NC(=O)CCc3ncc(-c4ccccc4)o3)sc2c1 11326717 NKRQHWICFJHSIN-UHFFFAOYSA-N 427.507 3.926 0 40 IHAB O=C(NCCOc1ccc2nnc(-c3ccccc3Cl)n2n1)c1c(F)cccc1F 11693921 KDNORPRQXUAIAB-UHFFFAOYSA-N 429.814 3.532 0 40 IHAB CC(C)c1ccccc1-n1ccnc1S[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 12603917 CYKZTNUTPBAVJQ-OAHLLOKOSA-N 444.582 3.762 0 40 IHAB CCCOc1ccc([C@@H]2CN3C(=O)CN(C)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1OC 12877468 RBQMCSDWDAZNGM-QYBDOPJKSA-N 447.535 3.627 0 40 IHAB biogenic COc1cc(NC(=O)CSc2ccccc2C(=O)NCC(=O)C(C)(C)C)cc(OC)c1 12902361 POHPRTUEXRXFIP-UHFFFAOYSA-N 444.553 3.780 0 40 IHAB COC(=O)CCCCCNc1nc(CN2CCOCC2)nc2sc3c(c12)CC[C@H](C)C3 12997909 OVDPSXAKTMXLMC-INIZCTEOSA-N 446.617 3.794 0 40 IHAB Cc1ccccc1N(CC(=O)NC1CCCCC1)C(=O)CCCC(=O)Nc1ccccn1 13027462 RPVGHWGCNGHDRZ-UHFFFAOYSA-N 436.556 3.981 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N(CC(F)(F)F)c2ccccc2OC)cc1 13114517 AMLJIQMBILLDSF-UHFFFAOYSA-N 444.475 3.935 0 40 IHAB O=C(Cc1ccccc1F)N1CCC(c2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 13566081 IVNDLQCBPIAIJC-UHFFFAOYSA-N 425.529 3.951 0 40 IHAB CC(=O)Nc1cccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)c1 13678757 QJLYZBCLQBQYOW-UHFFFAOYSA-N 429.523 3.784 0 40 IHAB Cc1ccc(CSCCNC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)cc1 14397893 JBIHDMXEAHEQDQ-UHFFFAOYSA-N 438.590 3.730 0 40 IHAB COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)CC1 15679388 DQABJVZNTQOXBN-UHFFFAOYSA-N 441.329 3.810 0 40 IHAB C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccc(N4CCCC4)cc3)c(Cl)c2)C1=O 15858463 YRLGYSJXHNFPTQ-CQSZACIVSA-N 447.944 3.505 0 40 IHAB COc1cccc([C@@H]2C3=C(N=c4s/c(=C/c5ccco5)c(=O)n42)c2ccccc2CC3)c1 16227996 CQMLRFPMFZSUHN-WLGHQHAYSA-N 440.524 3.920 0 40 IHAB CCOC(=O)N1CCN([C@@H](c2ccc(Cl)cc2)c2sc3nc(CC)nn3c2O)CC1 16690214 CCSRXRDCVJPSBS-INIZCTEOSA-N 449.964 3.576 0 40 IHAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(Cl)c2Cl)cc1C 16692325 GHRQRQGWNZMFHW-UHFFFAOYSA-N 431.341 3.960 0 40 IHAB COC(=O)c1c(NC(=O)CN(Cc2cccs2)C[C@@H]2CCCO2)sc2c1CCC2 17307866 XTKVVOLZWKRQOT-AWEZNQCLSA-N 434.583 3.705 0 40 IHAB O=C(Cc1ccccc1F)N1Cc2ccccc2OC2(CCC(N3CCOCC3)CC2)C1 19375579 UHTZWCPZZRAUDP-UHFFFAOYSA-N 438.543 3.803 0 40 IHAB CCc1ncc(CN2CCN(CC)C(=O)[C@H](Cc3ccccc3-c3cccnc3)C2)cn1 19523433 WSVBUFYIEVVGAG-HSZRJFAPSA-N 429.568 3.624 0 40 IHAB COc1cc(CN2CCC([C@@H]3C[C@@H](C(=O)Nc4ccc(F)cc4)CN3C)CC2)ccc1O 19587652 GXDZFAJUVFBSHZ-KNQAVFIVSA-N 441.547 3.711 0 40 IHAB CNC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2ccc(OC)c(OC)c2)C1 19591681 BNDJLRIOOHGYGE-MHZLTWQESA-N 445.563 3.947 0 40 IHAB CNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCN(Cc2ccc(OC)cc2OC)C1 19591704 HZWMTRYTBPZNPI-HHHXNRCGSA-N 445.563 3.947 0 40 IHAB Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)Nc1ccc(F)c(F)c1 20021706 NFCGKVYWODZRKH-UHFFFAOYSA-N 438.496 3.902 0 40 IHAB CC(C)(C)C(=O)NC(=S)Nc1ccc(N2CCN(C(=O)c3ccccc3F)CC2)cc1 20496969 XDHXTPOMAHXJOT-UHFFFAOYSA-N 442.560 3.647 0 40 IHAB CC(=O)Nc1ccc(C)cc1-c1nnc(SCC(=O)Nc2ccc(C)cc2C)nc1O 21882681 PJGDDTJUPYOYKR-UHFFFAOYSA-N 437.525 3.859 0 40 IHAB Cc1ccc(C(=O)NCCOc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCCCC1 21904501 GOPOTICTKHQLIZ-UHFFFAOYSA-N 436.961 3.632 0 40 IHAB CCOc1ccc2nc(NC(=O)c3ccc4c(c3)C[C@@H](C)N4S(C)(=O)=O)sc2c1 22024675 DTASMZBAJZKOOD-GFCCVEGCSA-N 431.539 3.658 0 40 IHAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1 24512272 FKBWEAXXOSCJFE-UHFFFAOYSA-N 443.450 3.682 0 40 IHAB CCC(=O)c1ccc(OC[C@@H](O)Cn2c(C)nc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 24925260 SAZZKXWCMUOYAX-YOEHRIQHSA-N 440.565 3.924 0 40 IHAB CCCCCCOc1ccccc1/C=c1\sc2nc(=O)c(Cc3ccccc3)nn2c1=O 26534127 NOEUELGASMAJFE-XLNRJJMWSA-N 447.560 3.609 0 40 IHAB O=C(Nc1cccc(/C=C/c2ccccn2)c1)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 29011228 BZQYJSYXZJMOHW-DVBCCOPCSA-N 427.460 3.972 0 40 IHAB CC[C@H](C)[C@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)NCc1cccnc1 31817559 HXWKSCDWFYEPNF-KKSFZXQISA-N 447.564 3.943 0 40 IHAB O=C(Nc1nnc([C@H]2CC(=O)N(c3ccccc3)C2)o1)c1ccccc1Br 33169796 NJEIDXZDBVSDLK-LBPRGKRZSA-N 427.258 3.605 0 40 IHAB COc1cccc(-n2c(SCC(=O)NCc3ccccc3)nnc2-c2ccncc2)c1 35291631 DLZIMVAZWFGROO-UHFFFAOYSA-N 431.521 3.746 0 40 IHAB CCOC(=O)Cc1csc(NC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@H]2c2ccccc2)n1 36360685 KAPSCCONFHDGEW-SFTDATJTSA-N 449.532 3.798 0 40 IHAB O=C(NCc1cccc(CN2CCOCC2)c1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 38830767 KNSLKCBBEQHCJD-HSZRJFAPSA-N 442.003 3.701 0 40 IHAB O=C(Cn1c(=O)n(CCc2cccs2)c(=O)c2ccccc21)Nc1ccc2c(c1)CCC2 57473351 MWKSIBSXPBFCSD-UHFFFAOYSA-N 445.544 3.595 0 40 IHAB Cc1c(-c2ccccc2)oc2c(/C(O)=N/S(=O)(=O)N3CCCCC3)cccc2c1=O 64618463 DEUQAETYGNEEMY-UHFFFAOYSA-N 426.494 3.804 0 40 IHAB COc1ccc(NC(=O)Cn2cc(-c3ccccc3)c3ncn(C4CC4)c(=O)c32)cc1OC 65113408 TUJBKNBTHXDREW-UHFFFAOYSA-N 444.491 3.856 0 40 IHAB Cc1cc(C)c(NC(=O)Cn2cnc3nc(N4CCC[C@H](C)C4)sc3c2=O)c(C)c1 67226164 PQRQHNYVLULDOM-ZDUSSCGKSA-N 425.558 3.653 0 40 IHAB CC(C)Oc1ccc(CNC(=O)CCn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)cc1 67261153 IJUOPEZYOOBERB-UHFFFAOYSA-N 448.498 3.796 0 40 IHAB CCCCN1C(=O)C[C@@H](C(=O)Nc2cnc3c(c2)c(C)nn3C)[C@@H]1c1ccc(OC)cc1 71794096 ZJGFJJRUBCKMMC-IRLDBZIGSA-N 435.528 3.614 0 40 IHAB O=C(Nc1nc(-c2ccc(Cl)cc2)no1)C1CCN(C(=O)COc2ccccc2)CC1 78808883 PXSSKTDWAZUEEZ-UHFFFAOYSA-N 440.887 3.646 0 40 IHAB CCNS(=O)(=O)c1ccc(NC(=O)[C@@H](Sc2nnc(C)s2)c2ccccc2)cc1 98087223 QMOIRHXNYJDLGR-KRWDZBQOSA-N 448.595 3.617 0 40 IHAB CCOc1cc(C)ccc1OCc1nnc(SCC(=O)Nc2ccc(OC)cc2)n1C 101190230 PCDRTXCIDYAIMH-UHFFFAOYSA-N 442.541 3.841 0 40 IHAB CC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(OC)c(OC)c1 219987049 WAIBJMMOCFTYIV-FQEVSTJZSA-N 446.569 3.760 0 40 IHAB CS(=O)(=O)N(CC(=O)Nc1ccccc1Br)Cc1ccccc1Cl 222706766 NGLHEQOSBDULGM-UHFFFAOYSA-N 431.739 3.503 0 40 IHAB COc1ccc(CN(C(=O)CCc2ccccc2)[C@@H](C)C(=O)NCCCOC(C)C)cc1 222994593 LPJJVAGZAVIOJA-NRFANRHFSA-N 440.584 3.976 0 40 IHAB COc1ccc([C@@H](C)NC(=O)c2cc3cc(N(C)S(C)(=O)=O)ccc3s2)cc1OC 223074388 UNQFQVURVVZXSE-CYBMUJFWSA-N 448.566 3.805 0 40 IHAB Cc1ccc(C)c(N([C@@H](C)C(=O)NCCOc2ccccc2C(C)(C)C)S(C)(=O)=O)c1 223694532 IWOOVTHKGAIPEW-IBGZPJMESA-N 446.613 3.951 0 40 IHAB Cc1ccc2c(c1)O[C@H](C(=O)NCC1=CCCCC1)CN2S(=O)(=O)c1ccccc1 224494754 PJKJXVPOJQKGTN-QFIPXVFZSA-N 426.538 3.568 0 40 IHAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCc1ccc2c(c1)OCCO2 225278858 IKCRKQFOLLDGQL-OAQYLSRUSA-N 442.531 3.863 0 40 IHAB CNc1cc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)Cn2nc(C)cc2C)nc(C2CC2)n1 257211261 BYECXKJRBNRYSK-OAQYLSRUSA-N 443.555 3.791 0 40 IHAB Cc1cccnc1Nc1cncc(C2CCN(C(=O)[C@@H]3CC(=O)Nc4ccccc43)CC2)n1 257211876 CAWYFMFBFMIJEK-LJQANCHMSA-N 442.523 3.756 0 40 IHAB CC1(C)C[C@H](NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c2ccccc2O1 260913373 ZXVYSNFGGOIYDS-JXFKEZNVSA-N 446.544 3.645 0 40 IHAB O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl)Nc1c(F)cccc1F 408560307 YPOZMMHCBSBVFB-UHFFFAOYSA-N 444.887 3.810 0 40 IHAB CS(=O)(=O)N(CC(=O)NC12CC3CC(CC(C3)C1)C2)c1cc(Cl)ccc1Cl 408601678 BEPJMZJZVSNBDZ-UHFFFAOYSA-N 431.385 3.844 0 40 IHAB C[C@H](CCc1ccccc1)NC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(C)(=O)=O 408610996 PKLOOQDUTAXGJU-OAHLLOKOSA-N 443.396 3.893 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N(C)Cc1ccccc1)C1CCCCC1 408622550 PDNQPXFROKGWJI-UHFFFAOYSA-N 444.597 3.986 0 40 IHAB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)c(C)c1 408659054 LTCKXSINQQJGAF-HNNXBMFYSA-N 434.414 3.857 0 40 IHAB COc1cc([C@H]2NC(=O)NC(C)=C2C(N)=O)cc(Cl)c1OCc1ccc(Cl)cc1 408841746 KOZFGCUXOSRDDM-QGZVFWFLSA-N 436.295 3.694 0 40 IHAB CN1CCOCCCCC2(CCN(C(=O)CC3CC3)CC2)COc2ccccc2C1=O 643579520 DKKRMEAPPCLOLC-UHFFFAOYSA-N 428.573 3.747 0 40 IHAB COc1cccc(-n2c(N)c(S(=O)(=O)c3ccccc3)c3nc4ccccc4nc32)c1 2441565 YJRBQYBRHRJSFK-UHFFFAOYSA-N 430.489 3.997 0 40 IHAB Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3ccc(F)cc3)c3ccccc23)no1 2461715 OLBNHGPJYBDLCQ-UHFFFAOYSA-N 427.457 3.538 0 40 IHAB Cc1cc(C(=O)COC(=O)[C@@H]2CCCN2C(=O)c2cccs2)c(C)n1Cc1ccco1 2658818 UJKDJKOPQHLKOY-IBGZPJMESA-N 440.521 3.838 0 40 IHAB CC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1 4090523 UTBWUVDXMZRDIX-UHFFFAOYSA-N 438.597 3.779 0 40 IHAB CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nc(-c4ccncc4)cs3)cc2)CC1 8663752 FNNMWOSZYXHTDJ-UHFFFAOYSA-N 442.566 3.878 0 40 IHAB CC(C)Cn1c(S[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)nc2ccccc2c1=O 8882372 GYEUWIKRLQKKPI-OAHLLOKOSA-N 439.537 3.578 0 40 IHAB COc1ccccc1CNC(=O)COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 9053712 MEAAQPZMXQIMIO-UHFFFAOYSA-N 431.444 3.869 0 40 IHAB biogenic CCOc1cccc2cc(-c3nnc(NC(=O)c4cccc(N5C(=O)CCC5=O)c4)o3)oc12 9168288 AZWQJRYYFVJGJP-UHFFFAOYSA-N 446.419 3.787 0 40 IHAB C[C@H](Sc1nnc(Cc2cccc3ccccc23)n1N)C(=O)Nc1ccc2c(c1)OCO2 9384232 NMKHKOZDIBWPSK-AWEZNQCLSA-N 447.520 3.584 0 40 IHAB COc1cccc2sc(N(C[C@H]3CCCO3)C(=O)Cc3ccc4c(c3)OCO4)nc12 9522445 HENABPWVWSGRMU-OAHLLOKOSA-N 426.494 3.788 0 40 IHAB Cc1n[nH]c(=O)c2c(NC(=O)CSc3ncc(C(F)(F)F)cc3Cl)oc(C)c12 9595544 BTTKVIIFKXWEPR-UHFFFAOYSA-N 432.811 3.931 0 40 IHAB Cn1c(SCCOc2ccc(S(N)(=O)=O)cc2)nnc1-c1ccc(C(C)(C)C)cc1 9705592 KXYLOVDGIFISHQ-UHFFFAOYSA-N 446.598 3.598 0 40 IHAB C[C@@H](Sc1ncnc2sccc12)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 9780485 GHODNGGKLMFQPM-CYBMUJFWSA-N 448.595 3.595 0 40 IHAB O=C(CSc1nc(-c2ccncc2)n[nH]1)N1CCC(c2nc3ccccc3s2)CC1 9834275 YDOZLGTZKPGXMU-UHFFFAOYSA-N 436.566 3.975 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)Cc2ccco2)cc1 9834487 NYULMHATRUEKOR-QHCPKHFHSA-N 438.549 3.973 0 40 IHAB CCOc1ccccc1CCCNC(=O)[C@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O 10110989 JYKOZISTPYPBEL-INIZCTEOSA-N 438.977 3.642 0 40 IHAB CCCCCC(=O)Nc1ccc(C(=O)COC(=O)c2cc(S(C)(=O)=O)ccc2C)cc1 10401465 RTZQSFPATKDXIM-UHFFFAOYSA-N 445.537 3.957 0 40 IHAB COc1ccc(C(=O)N[C@@H](C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)C(C)C)cc1 10544935 LTNYKVHNYZNRRM-PGRDOPGGSA-N 434.540 3.732 0 40 IHAB O=C(Nn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O)c1ccc(Cl)cc1Cl 11665755 YRWNOTFXDXOZCJ-UHFFFAOYSA-N 434.670 3.926 0 40 IHAB O=C(NCCc1ccc(Cl)cc1)c1csc(NS(=O)(=O)c2cccs2)n1 11693230 XEORGFMPISCQIZ-UHFFFAOYSA-N 427.960 3.631 0 40 IHAB Cc1ccc([C@@H](Cc2ccsc2)NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)nc1 12229431 OGVWBWRSRAREAG-QGZVFWFLSA-N 445.591 3.627 0 40 IHAB Cc1cc(C)cc(N2C(=O)N(CC(=O)NCc3ccccc3)c3ccccc3S2(=O)=O)c1 12414832 YSZSOHJCYLVVFA-UHFFFAOYSA-N 449.532 3.755 0 40 IHAB CCCNC(=O)[C@H]1CN(C(=O)c2ccc(-n3cnc4ccccc43)cc2)c2ccccc2O1 12516951 AEQGFRYYGHVUFQ-XMMPIXPASA-N 440.503 3.960 0 40 IHAB Cc1ccc(NC(=O)CN2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)cc1Cl 12556154 HZJIFVUMDDUAGB-OAQYLSRUSA-N 427.932 3.867 0 40 IHAB O=C(CSc1nc2c(n1-c1ccccc1)CCCC2)N1CCN(c2ccccc2O)CC1 12603755 YVJMORRYHPSVLE-UHFFFAOYSA-N 448.592 3.898 0 40 IHAB CC(C)N(C(=O)C(=O)NC1CCCC1)[C@H](C(=O)NCc1cccs1)c1ccc(F)cc1 12641187 UFGFDPNGULSAOF-FQEVSTJZSA-N 445.560 3.541 0 40 IHAB COc1cc2c(cc1OC)CN(C(=O)CCc1c(C)c3ccc(O)c(C)c3oc1=O)CC2 12898924 FJRXNDFIUMYNCH-UHFFFAOYSA-N 437.492 3.650 0 40 IHAB biogenic COc1ccc(N(CC(=O)NCCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 13402826 VXUVRGBQZLJNOQ-UHFFFAOYSA-N 438.549 3.558 0 40 IHAB Cc1cccc(C(=O)O)c1NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c1 13432746 DZDFODGGUIYFSH-GJZGRUSLSA-N 430.526 3.612 0 40 IHAB CCn1c(=O)c(C)nc2cc(C(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCCO4)ccc21 14251129 OXXXVKQJMQNUGF-HXUWFJFHSA-N 433.508 3.863 0 40 IHAB CN(Cc1cccc(F)c1)C(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 14252261 AGTHJCTUSKULJI-UHFFFAOYSA-N 431.558 3.894 0 40 IHAB O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccc(F)c(F)c1F 15003016 WDBGTHJCXGJRPI-UHFFFAOYSA-N 426.460 3.850 0 40 IHAB COc1ccc(NC(=O)C[C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)c(OC)c1 15390806 CNQDAIAZSJPVHV-QGZVFWFLSA-N 432.542 3.584 0 40 IHAB O=C(C[C@@H]1CCNC[C@@H]1Cc1cc(COc2ccccc2)on1)NCc1cccs1 15673623 OVYJHYFFYCKGGY-ROUUACIJSA-N 425.554 3.790 0 40 IHAB biogenic,in-vitro COc1ccc(CNC(=O)[C@@H](c2cccc(C)c2)N(C(=O)c2csnn2)C2CC2)cc1 15935419 TVBVLBIFJSPSQH-OAQYLSRUSA-N 436.537 3.517 0 40 IHAB CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2cccc(F)c2)o1 15999092 KOBUFEKEZOUFMN-SWLSCSKDSA-N 427.498 3.795 0 40 IHAB CCOc1ccc(-c2ccc(=O)n(Cc3nc(-c4ccc(OCC)c(OC)c4)no3)n2)cc1 16845922 SWSZHKURSIHVNN-UHFFFAOYSA-N 448.479 3.815 0 40 IHAB COc1ccc(-n2[nH]c3[nH]c(COc4ccc(Cl)cc4Cl)cc(=O)c3c2=O)cc1 17097799 NUHYWUBXCGJEQL-UHFFFAOYSA-N 432.263 3.902 0 40 IHAB CCNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)c2cccc(OC)c2)C1 19529023 UOAYZGFPOUUTMT-MHZLTWQESA-N 443.547 3.968 0 40 IHAB COc1ccc(CC(=O)N2CCC[C@@H]2c2nc(N(C)C)ncc2-c2onc(C)c2C)cc1 19558447 IJHFEVOHUMMJTA-HXUWFJFHSA-N 435.528 3.729 0 40 IHAB COc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@H](O)c3c[nH]c4cc(OC)ccc34)CC1)O2 19562177 AXJSHCAYUXIJLL-PKTZIBPZSA-N 438.524 3.569 0 40 IHAB COc1cccc(C(=O)N2CCC[C@@](Cc3ccc(-c4cccnc4)cc3)(C(N)=O)C2)c1 19564322 GDUITNCKSPDJCL-SANMLTNESA-N 429.520 3.708 0 40 IHAB COc1cccc(OC)c1-c1cnc(N(C)C)nc1C1CCN(C(=O)c2ccccn2)CC1 19695161 POJFIIPTYFDPSV-UHFFFAOYSA-N 447.539 3.642 0 40 IHAB O=C(c1cc2ccc(F)cc2[nH]1)N1CC[C@H](c2ccc3c(NC4CCOCC4)n[nH]c3n2)C1 19705159 OBPVXJWIDIHJSD-HNNXBMFYSA-N 448.502 3.799 0 40 IHAB Cc1nccn1CCC(=O)N1CCC([C@H]2CCCCN(CCc3ccccc3)C2=O)CC1 19744055 AHQADCCQTYWMGN-XMMPIXPASA-N 436.600 3.692 0 40 IHAB Cc1nc([C@H]2CCCN2C(=O)CCCOc2ccccc2F)ncc1C(=O)N1CCCC1 19756005 UQZSPESJJLKZRL-HXUWFJFHSA-N 440.519 3.683 0 40 IHAB Cc1ncc(CN2CCC(c3ncc(C(=O)NCc4ccc(F)cc4)c(C)n3)CC2)s1 19766574 PGLYRBLQNDFHIP-UHFFFAOYSA-N 439.560 3.999 0 40 IHAB COC(=O)[C@H](N[C@H]1C2=C(CCCC2)C(=O)N1C1CCCCC1)c1ccc(OC)c(OC)c1 20149706 NVIRVLKCEMVQSW-DHIUTWEWSA-N 442.556 3.879 0 40 IHAB Cc1ccc(N(CC(=O)NCCSc2ccc(Cl)cc2)S(C)(=O)=O)cc1Cl 20237467 PVMCXZDDHUKZMD-UHFFFAOYSA-N 447.409 3.976 0 40 IHAB CCS(=O)(=O)c1ccc(O)c(NC(=O)Cn2ccc3cc(Br)ccc32)c1 20736118 CAALYXCYLBKDIW-UHFFFAOYSA-N 437.315 3.542 0 40 IHAB O=C(CN1CCN(c2ccccc2O)CC1)Nc1nc(-c2ccc(F)c(F)c2)cs1 22374044 XXMSAPBEVYRXGV-UHFFFAOYSA-N 430.480 3.555 0 40 IHAB Cc1cccc(-c2noc(Cn3c(=O)n(CCc4ccccc4)c(=O)c4ccccc43)n2)c1 23126925 LQZBJMPOCWRRKT-UHFFFAOYSA-N 438.487 3.813 0 40 IHAB COc1ccc([C@@H](CNS(=O)(=O)c2ncn(C)c2Cl)c2c[nH]c3ccccc23)cc1 27945616 FYEXMEYFHAOOFT-QGZVFWFLSA-N 444.944 3.674 0 40 IHAB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCCCN2CCc3ccccc32)c1 29520654 AQZGSAVCVYPJFZ-UHFFFAOYSA-N 449.576 3.694 0 40 IHAB Cc1cc2oc(=O)cc(COC(=O)c3cccc(N4C(=O)CCC4=O)c3)c2cc1Cl 32910885 FGMLWTBFETWKQZ-UHFFFAOYSA-N 425.824 3.765 0 40 IHAB CCOC(=O)c1c(NC(=O)COC(=O)/C=C/c2ccncc2)sc2c1CC[C@@H](C)C2 32928498 SLEVZXJUEJLMKC-HZRUHFOJSA-N 428.510 3.640 0 40 IHAB Cc1ccc(OCC(=O)N2CCN(c3nc4ccccc4cc3-c3noc(C)n3)CC2)cc1 33318235 SYIVNUZSRJTEFD-UHFFFAOYSA-N 443.507 3.629 0 40 IHAB COc1cc(NC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)cc(OC)c1OC 40140146 GVNNEZAHZKWTAZ-UHFFFAOYSA-N 429.423 3.917 0 40 IHAB Cc1ccc(N(CC(=O)Nc2ccccc2C(=O)O)S(=O)(=O)c2ccccc2)c(C)c1 44791916 AGSFCWWHVAEIDU-UHFFFAOYSA-N 438.505 3.836 0 40 IHAB Cc1cc(NC(=O)Cn2cnc3c(sc4ncccc43)c2=O)ccc1Br 46053293 ZMFMYOWHYNDJEM-UHFFFAOYSA-N 429.299 3.716 0 40 IHAB COc1cccc(SCC(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)c1 48362828 WCTZNKHPVHEBDR-UHFFFAOYSA-N 426.494 3.645 0 40 IHAB Cn1cc(-c2ccc(F)cc2)c2ncn(CC(=O)NCc3ccc(F)c(Cl)c3)c(=O)c21 49401458 LRLVGWRWDLDRFS-UHFFFAOYSA-N 442.853 3.650 0 40 IHAB Cc1ccc(C(=O)NC2CCN(C(=O)c3cn(-c4cccc(Cl)c4)nn3)CC2)cc1C 49406196 IYJMJNHPUWLWSH-UHFFFAOYSA-N 437.931 3.572 0 40 IHAB COc1ccc(C)cc1NC(=O)Cn1cccc1-c1nc(-c2ccc3c(c2)OCO3)no1 57487040 CJDUOQLYCAFEHB-UHFFFAOYSA-N 432.436 3.890 0 40 IHAB CC(C)c1c(C(=O)NCCNC(=O)OC(C)(C)C)cnn1-c1ccc(C(F)(F)F)cn1 60158643 WWVVJHDKFQYIHZ-UHFFFAOYSA-N 441.454 3.664 0 40 IHAB CN(C(=O)CSc1nc(O)c2c(n1)CCN(Cc1ccc(F)cc1)C2)C1CCCCC1 67291547 FJMKKAHWRSRBCO-UHFFFAOYSA-N 444.576 3.763 0 40 IHAB CCc1noc(CCC(=O)N2CCCCC[C@H]2Cc2c(C(N)=O)sc3ccccc23)n1 72370708 CPHXASGIDMVDIR-HNNXBMFYSA-N 440.569 3.892 0 40 IHAB CCOCc1cc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4cccnc4)n3)C2)ccc1OC 72393164 MMNBJVZPCHBSTC-FQEVSTJZSA-N 434.540 3.757 0 40 IHAB CN(C)S(=O)(=O)c1cccc(CN(Cc2ccccc2)C[C@@H](O)c2ccsc2)c1 83852283 SDDXZIYNIZVFET-JOCHJYFZSA-N 430.595 3.734 0 40 IHAB Cc1cc2ncn(C[C@H](O)CNC(=O)c3cc(C)n(Cc4ccccc4)c3C)c2cc1C 89609009 GENOSIQECBQSFU-JOCHJYFZSA-N 430.552 3.911 0 40 IHAB CSCC[C@@H](Nc1nc(C)cc(C)n1)C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 95474016 SEBGGVJGNKZQKA-HXUWFJFHSA-N 438.601 3.910 0 40 IHAB O=C(c1ccccc1)[C@H]1[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2CCCN21 95483432 FLDJJCYEBBLJOE-AKHDSKFASA-N 428.410 3.541 0 40 IHAB Cn1ccnc1CN1CCC(c2nc(-c3ccc(-n4cnc5ccccc54)nc3)no2)CC1 95959382 RPYSDEWYIXUXIW-UHFFFAOYSA-N 440.511 3.584 0 40 IHAB O=C1CCc2cc(S(=O)(=O)N(CCc3cccs3)Cc3ccco3)cc3c2N1CC3 96119232 OUBGZSGXNKTVLJ-UHFFFAOYSA-N 442.562 3.610 0 40 IHAB O=C(NCCNc1cc(N2CCCC2)cnn1)Nc1ccc(Cl)c(C(F)(F)F)c1 96120943 QOSPGZMPSGJDNL-UHFFFAOYSA-N 428.846 3.983 0 40 IHAB O=C(N[C@@H]1C[C@@H]2CC[C@@H]1C2)[C@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 100090548 QADUAXCNBGLLNQ-BKEDOTJMSA-N 445.412 3.840 0 40 IHAB O=C1N[C@@]2(C[C@H]3CC[C@H]2C[C@@H]3C(=O)NCCc2c[nH]c3ccccc23)Nc2ccccc21 100117640 HELBLMPCAFIJQG-WLDODLORSA-N 428.536 3.815 0 40 IHAB CC(C)c1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(C(C)C)cc4)C(=O)[C@@H]32)cc1 101168516 ARILGLQBIPYFNO-FGZHOGPDSA-N 433.512 3.865 0 40 IHAB Cc1ccc(N2C(=O)C[C@H](N3O[C@@](O)(c4ccccc4)C[C@@H]3c3ccccc3)C2=O)cc1 102721545 MCNZCLWFSJUCRG-PPJWLVRDSA-N 428.488 3.851 0 40 IHAB CCOc1ccccc1CCCNC(=O)[C@@H](CC)N(c1ccc(F)cc1)S(C)(=O)=O 219112971 FRLGQHRMUOREOL-HXUWFJFHSA-N 436.549 3.518 0 40 IHAB COc1ccc(OC)c(N([C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)S(C)(=O)=O)c1 220212900 ISNBSOICGUWPPQ-LBPRGKRZSA-N 446.447 3.516 0 40 IHAB C[C@H](C(=O)Nc1ccccc1Br)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220444808 OQJFBFADXPKTGC-SNVBAGLBSA-N 433.274 3.521 0 40 IHAB CS(=O)(=O)N(CCCC(=O)Nc1ccc(Cc2ccncc2)cc1)c1ccc(F)cc1 224148779 KWFOVMKOAUCXDC-UHFFFAOYSA-N 441.528 3.996 0 40 IHAB O=C(Nc1nnc(S(=O)(=O)Nc2ccccc2Cl)s1)c1ccccc1Cl 224168694 VHNOARCJHZJZJK-UHFFFAOYSA-N 429.310 3.898 0 40 IHAB Cc1ccc(C)c(N(CC(=O)Nc2ccc3c4c(cccc24)CC3)S(=O)(=O)N(C)C)c1 224188596 CTBJUMXJYHYUDV-UHFFFAOYSA-N 437.565 3.807 0 40 IHAB COc1ccc(CN(C(=O)COc2cccc(Cl)c2)[C@@H](C)C(=O)NCC(C)C)cc1 224481183 SKGIBZPEOZWBGC-KRWDZBQOSA-N 432.948 3.917 0 40 IHAB O=S(=O)(Cc1ccccc1F)Nc1ccc(S(=O)(=O)Nc2ccccc2F)cc1 224549506 NZYLMXPDUPJOST-UHFFFAOYSA-N 438.477 3.708 0 40 IHAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(Br)cc1 224656363 SDTKVYRCRBKZBR-MRXNPFEDSA-N 433.346 3.771 0 40 IHAB CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1c(F)cccc1Cl 225469745 LFPQSLKYDXYBEY-GFCCVEGCSA-N 441.728 3.947 0 40 IHAB CC(C)(Cc1ccccc1)NC(=O)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 225584769 GBEBEGMUHVHCIL-UHFFFAOYSA-N 432.561 3.505 0 40 IHAB CCOc1ccccc1NS(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1 225670444 DDQHEDCJAZGPGQ-UHFFFAOYSA-N 438.918 3.643 0 40 IHAB CC(=O)Nc1nnc(S(=O)(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)s1 225743390 WGZXOQYMEHEIHR-UHFFFAOYSA-N 432.571 3.765 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)N(C)c2ccccc2)Cc2ccccc2)cc1C 226046378 AMQMCYMXWVJSHW-UHFFFAOYSA-N 438.549 3.858 0 40 IHAB COc1ccccc1N(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C1=O)C(=O)c1ccccc1C 226399903 HZMFNTWEHUTWIU-BQNWQSOBSA-N 442.515 3.661 0 40 IHAB O=C(C1CC1)N1CCc2nc3cc([C@H]4CCCCN4C[C@@H]4CC=CCC4)nn3c(O)c2C1 247711825 KAROHKRSNGBZCA-VGOFRKELSA-N 435.572 3.613 0 40 IHAB Cn1cc(CN2CCC[C@H]([C@H](NC(=O)[C@H]3CCCO3)c3ccccn3)C2)c2ccccc21 248085946 BJNYRELVDANSQB-OWAUWMPXSA-N 432.568 3.822 0 40 IHAB C[C@@]12CC[C@@H](C[C@@H]1C(=O)N1CC[C@H](O)[C@@H]3CCCC[C@@H]31)[C@@]1(C2)NC(=O)c2ccccc2N1 253596971 YQJQGTKZTQTWNK-ZPQLYSBXSA-N 437.584 3.517 0 40 IHAB NC(=O)C[C@@]1(COc2ccccc2)CCCN(C(=O)c2ccc(OC(F)(F)F)cc2)C1 257295467 QYKNBWGGPCPPRZ-NRFANRHFSA-N 436.430 3.762 0 40 IHAB Cc1cc(C(=O)N2CC[C@H](Oc3cccc(Cl)c3)[C@@H](CC(=O)N3CCCCC3)C2)on1 257303170 SGBGYCQGPGZSTH-PXNSSMCTSA-N 445.947 3.949 0 40 IHAB O=C(CN1CC[C@@]2(CCCN2Cc2ccccc2)[C@@H](O)C1)Nc1ccc2c(c1)CCCC2 257305363 SPQNEMVJOQMEDT-BDYUSTAISA-N 433.596 3.605 0 40 IHAB O=C(Nc1cccc(F)c1)c1nnc2n1C[C@@H]1CN(Cc3ccc(Cl)cc3)C[C@@H]1C2 306129497 IFAKMTXMZBOARO-HOTGVXAUSA-N 425.895 3.627 0 40 IHAB Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1C(=O)Nc1cccc(C(F)(F)F)c1 408636396 PNWUYNNFADFEKJ-MRXNPFEDSA-N 442.459 3.723 0 40 IHAB Cc1ccc(NC(=O)COC(=O)CCS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 408646862 QOITVLKOTZTIEA-UHFFFAOYSA-N 430.309 3.648 0 40 IHAB NC(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc2c(c1)oc1ccccc12 408998103 AGZFQNVCGGIVFU-LJQANCHMSA-N 431.448 3.695 0 40 IHAB NC(=O)COc1ccccc1/C=C1/SC(=O)N(Cc2cccc(Br)c2)C1=O 409157795 VWZAOYUGZNQHJB-CXUHLZMHSA-N 447.310 3.550 0 40 IHAB CCCN1C(=O)S/C(=C/c2cc(OCC)c(OCC(=O)O)cc2Br)C1=O 409246792 DNDRBMHFKFBUET-VGOFMYFVSA-N 444.303 3.758 0 40 IHAB COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c(OC)c1OC 409250245 WQQCMUWRYDXPOT-CXUHLZMHSA-N 446.456 3.527 0 40 IHAB Cc1cc(Br)c(C(=O)Nc2cccc([C@@]3(C)NC(=O)NC3=O)c2)cc1Cl 561056585 SMCFXXGUSFVTTA-GOSISDBHSA-N 436.693 3.718 0 40 IHAB Cc1cccc(C2(C(=O)N3CCC[C@H](NS(=O)(=O)c4cccc(F)c4)C3)CCC2)c1 591295563 WORDKBFPGWNZMU-FQEVSTJZSA-N 430.545 3.525 0 40 IHAB COC(=O)c1ccc2c(O)nc(CN3CCc4sc(Br)cc4C3)nc2c1 610990108 JDNFAUGVOIZISU-UHFFFAOYSA-N 434.315 3.504 0 40 IHAB C[C@@H](NC(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1)c1ccc2nc(O)[nH]c2c1 614114036 ZNUFFTCAKHRDFV-PEBXRYMYSA-N 442.475 3.702 0 40 IHAB COc1cc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(C)o4)no3)C2)cc(OC)c1OC 1364764 CFMBMTLRGQISHA-CQSZACIVSA-N 427.457 3.684 0 40 IHAB C[C@@H]1Cc2cc(-c3csc(NC(=O)Cc4cccs4)n3)ccc2N1S(C)(=O)=O 1366023 VHTWQMIWARETAV-GFCCVEGCSA-N 433.580 3.763 0 40 IHAB aggregator COc1ccc(C(=O)NC(=S)Nc2ccc3nn(-c4ccc(OC)cc4)nc3c2)cc1 1410564 JSYBGBDSDNVFST-UHFFFAOYSA-N 433.493 3.565 0 40 IHAB CCOc1ccc(CCNC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)cc1OCC 2637084 KDCGLEMLFFKIGD-UHFFFAOYSA-N 449.551 3.893 0 40 IHAB COc1ccc2cc([C@]3(C)NC(=O)N(CC(=O)Nc4cc(C)ccc4C)C3=O)ccc2c1 3450976 QVNWHGVTYCLLKK-VWLOTQADSA-N 431.492 3.871 0 40 IHAB Cc1occc1-c1nnc(SCC(=O)NC(=O)NC(C)(C)C)n1Cc1ccccc1 3533663 VPWGNWYOXSHXRZ-UHFFFAOYSA-N 427.530 3.611 0 40 IHAB CCCn1c(SCC(=O)Nc2nnc(-c3ccccc3)s2)nnc1-c1ccccn1 4388815 AEINRCKWDKCKJY-UHFFFAOYSA-N 437.554 3.999 0 40 IHAB COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)Nc1nc2ccccc2[nH]1 6101349 GCKCFPBCYNXNOP-UHFFFAOYSA-N 448.504 3.575 0 40 IHAB Cc1ccc(NC(=O)N(Cc2cc3cc(C)cc(C)c3[nH]c2=O)C[C@@H]2COCCO2)cc1 8582716 HEFOZZFRRHVPKM-JOCHJYFZSA-N 435.524 3.903 0 40 IHAB COc1ccc([C@@H](CC(=O)OCC(=O)c2ccccc2)NC(=O)COc2ccccc2)cc1 8873091 VSEHCLJKBRGYGU-HSZRJFAPSA-N 447.487 3.748 0 40 IHAB O=C(Cc1ccc2c(c1)CCCC2)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 8896241 MULBGKMYPSOVCH-UHFFFAOYSA-N 439.515 3.635 0 40 IHAB COc1ccc(CCC(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccccc4C)C3)s2)cc1 9224861 BHDWNDSXESJHLF-QGZVFWFLSA-N 436.537 3.947 0 40 IHAB CC(C)NC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 9227560 WCBVSHTYLKZVBM-UHFFFAOYSA-N 449.960 3.515 0 40 IHAB Cc1c(C(=O)c2ccccc2)oc2cc(NC(=O)Cn3nnc4ccccc4c3=O)ccc12 9486647 HNVXRQSTPZQUEP-UHFFFAOYSA-N 438.443 3.716 0 40 IHAB biogenic COc1ccccc1CNC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1 9584293 NNKULSMCTQIWJZ-UHFFFAOYSA-N 438.549 3.824 0 40 IHAB CCOC(=O)N1CCc2c(sc(NC(=O)Cc3cccc4ccccc34)c2C(N)=O)C1 9638964 TWCOYTDGOPRBRQ-UHFFFAOYSA-N 437.521 3.696 0 40 IHAB COC(=O)c1cc(NC(=O)c2cc(Cl)cc(Cl)c2OC)ccc1N1CCOCC1 9933566 OABAQHDENLXOPX-UHFFFAOYSA-N 439.295 3.878 0 40 IHAB COc1ccc(/C=C/C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)c(OC)c1 9990116 DLPSDUROWOZPLA-VMPITWQZSA-N 437.492 3.610 0 40 IHAB Cc1ccc(N2CCCn3c2nc2c3c(=O)n(CCc3ccccc3)c(=O)n2C)cc1Cl 10104843 NYKHBEULKYJKGA-UHFFFAOYSA-N 449.942 3.643 0 40 IHAB O=C(COc1ccc(Br)cc1)Nc1ccccc1C(=O)NCc1cccnc1 10313143 FRBHDCJDWJSPQN-UHFFFAOYSA-N 440.297 3.792 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1 10337454 YKKJSQXAWDWAEZ-UHFFFAOYSA-N 432.542 3.566 0 40 IHAB CCn1c(CSc2nnc(-c3cccs3)o2)nc2cc(S(=O)(=O)N(C)C)ccc21 11145207 FZHNEJJNDYZOPN-UHFFFAOYSA-N 449.583 3.710 0 40 IHAB Cc1cc(O[C@@H](C)C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c2c3c(c(=O)oc2c1)CCC3 11866942 WMFXLMDQUNVGID-QLODZENZSA-N 425.525 3.511 0 40 IHAB O=C(c1nc2ccccc2s1)C1CCN(C(=O)CCn2c(=O)oc3ccccc32)CC1 12183914 KBMXIMJVKXSVBC-UHFFFAOYSA-N 435.505 3.716 0 40 IHAB Cn1nc(C(C)(C)C)cc1C(=O)N1CCC[C@@H](n2nnc3cc(C(F)(F)F)ccc32)C1 12184928 MCOKJLDTCUJJQG-CQSZACIVSA-N 434.466 3.958 0 40 IHAB O=C1CCCN1c1ccccc1NS(=O)(=O)c1c(F)cc(F)cc1Br 12521412 NOZYLHKNQKLYME-UHFFFAOYSA-N 431.258 3.655 0 40 IHAB Cc1ccc(F)cc1NS(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 12740682 OSDIWHIYXNRDAB-UHFFFAOYSA-N 428.272 3.788 0 40 IHAB CC(=O)c1cc2c(cc1NC(=O)COc1cccc(C(=O)NCc3ccccc3)c1)OCO2 12748553 IGNMJFCUVNYHKW-UHFFFAOYSA-N 446.459 3.565 0 40 IHAB CNC(=O)[C@H]1Cc2ccccc2CN1Cn1nc(-c2cccs2)n(C2CC2)c1=S 12809135 CIMPRMJDMFROSV-QGZVFWFLSA-N 425.583 3.608 0 40 IHAB C[C@@H](CC(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1)c1ccccc1 12851335 XOWPDZVOYUWAEO-KRWDZBQOSA-N 433.474 3.982 0 40 IHAB CC(=O)N1CCCc2cc(S(=O)(=O)N[C@@H](C)c3ccccc3Br)ccc21 12946598 UHXSMVIUIUZAEP-ZDUSSCGKSA-N 437.359 3.788 0 40 IHAB Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)N3CCc4ccccc43)n2N)c1 13149574 AHDBWDODUVBVLV-UHFFFAOYSA-N 437.569 3.684 0 40 IHAB COc1ccc(-c2cc3nc(-c4ccccc4)cc(N4CCN(C(C)=O)CC4)n3n2)cc1 13562731 APQIVKLWLHXSLW-UHFFFAOYSA-N 427.508 3.740 0 40 IHAB CSCC[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)Nc1cc(C)ccc1C 13629635 IFGYKUSTPSQZCV-KRWDZBQOSA-N 426.542 3.532 0 40 IHAB COc1ccc(S(=O)(=O)NCCCc2ccc(C)cc2)cc1I 13669235 WFQZJAGQLAASTI-UHFFFAOYSA-N 445.322 3.519 0 40 IHAB CCn1c(SCC(=O)NCc2cc(Cl)c3c(c2)OCCCO3)nnc1-c1ccco1 14168034 KIUJYLPNCYZYBG-UHFFFAOYSA-N 448.932 3.781 0 40 IHAB CCS(=O)(=O)N(C)c1ccc(C(=O)NCCSCc2ccccc2Cl)cc1 14397901 CGUMNWONYFWLCY-UHFFFAOYSA-N 426.991 3.789 0 40 IHAB CCc1cccc(C)c1NC(=O)C1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 14427951 LUDIMPQGVJAAMX-UHFFFAOYSA-N 428.554 3.799 0 40 IHAB Cc1ccc(NC(=O)c2c(C)nn(-c3ccccc3)c2Cl)cc1S(=O)(=O)N(C)C 14795489 CIVQXICHPXMNTA-UHFFFAOYSA-N 432.933 3.645 0 40 IHAB CC(C)C(=O)N1CCCc2cc([C@@H](O)CN3CCC(O)(c4ccccc4F)CC3)ccc21 19085720 BHWPQVIZBMKNET-DEOSSOPVSA-N 440.559 3.778 0 40 IHAB O=C(OCC(=O)N1CCCCCCC1)c1cccnc1Sc1ccc2c(c1)OCCO2 19125015 RCIVXGJWEGWPTD-UHFFFAOYSA-N 442.537 3.954 0 40 IHAB CNc1cc([C@H]2CCCN(C(=O)Cc3cc(C)ccc3OC)C2)nc(-c2cccnc2)n1 19133001 HYSDYCFALOJSPU-IBGZPJMESA-N 431.540 3.846 0 40 IHAB CCCN1CCN(C(=O)c2ccnn2C)C[C@@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 19502752 SYWDUHCPYYIPSR-OAQYLSRUSA-N 448.542 3.780 0 40 IHAB COc1cc(CN(C)CC(=O)Nc2cc(C)nn2-c2ccccc2)ccc1OC(F)F 19532138 QVZPAEAAGPOOPO-UHFFFAOYSA-N 430.455 3.861 0 40 IHAB CNC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CCN(C(=O)Cc2cccc(OC)c2)C1 19591496 VXZGSARKDWYXRH-HHHXNRCGSA-N 443.547 3.507 0 40 IHAB Cc1nc(C2CCN(C(=O)[C@@H]3CCCO3)CC2)nc2c1CCCN2CCc1ccccc1 19705718 QGKDGLDRPDRLJJ-QHCPKHFHSA-N 434.584 3.665 0 40 IHAB Cc1nc([C@H]2CCCN2C(=O)Cc2ccccn2)nc2c1CCC(=O)N2CC1CCCCC1 19740362 HSTOOZWGVRCATB-JOCHJYFZSA-N 447.583 3.946 0 40 IHAB CC(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2c2ncc(C(=O)N3CCCCC3)c(C)n2)cc1 19765639 YWABKVRWGYIYJQ-JOCHJYFZSA-N 449.555 3.737 0 40 IHAB CCCc1cc(C(=O)N2CC[C@H](c3ncc(C(=O)Nc4ccc(OC)cc4)c(C)n3)C2)no1 19766150 RXKQVPVZBOANDW-INIZCTEOSA-N 449.511 3.616 0 40 IHAB COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2F)cc1C 20008730 QBJJYBHBVCFXAD-NRFANRHFSA-N 442.512 3.671 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)O)c2ccc(F)cc2)cc1 20236190 QVSVUJOJEGAMRQ-UHFFFAOYSA-N 442.468 3.666 0 40 IHAB O=C(COC(=O)CCc1ccc2ccccc2n1)Nc1cc(Cl)ccc1-n1cncn1 21432344 WHIPNAKORJIENI-UHFFFAOYSA-N 435.871 3.583 0 40 IHAB CCCn1c(NC(=O)[C@@H](CCSC)NC(=O)c2ccccc2OC)nc2ccccc21 21597510 YNYIZKZMSMQDGC-GOSISDBHSA-N 440.569 3.945 0 40 IHAB O=C(OCc1nnc(-c2cccs2)o1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 22424719 VBGFIVSGQOSXSN-UHFFFAOYSA-N 441.490 3.956 0 40 IHAB O=C(CN1CCN(Cc2ccsc2)CC1)Nc1ccccc1C(=O)Nc1ccccc1 22803719 GGNKFMSWPBHTAI-UHFFFAOYSA-N 434.565 3.757 0 40 IHAB Cc1ccc(C(=O)C2CCN(C(=O)CCN3C(=O)c4ccc(C)cc4C3=O)CC2)c(C)c1 24456209 LJVWZEBPTCZEGG-UHFFFAOYSA-N 432.520 3.719 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)NC[C@H](c1cccs1)N1CCOCC1 25458238 QSYRLCPBBTYINR-NELJVSICSA-N 436.581 3.754 0 40 IHAB O=C(NC1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1)c1ccccc1 25768669 MJYOSLOEUPTSKB-UHFFFAOYSA-N 446.878 3.942 0 40 IHAB COc1cccc(C2=NN(C(=O)COc3c(C)cc(C)cc3C)[C@](O)(C(F)(F)F)C2)c1 27570405 VQQLURCMESRZBH-OAQYLSRUSA-N 436.430 3.887 0 40 IHAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ncc(I)cc2C)c1 32125131 AFFXHPUWVODUNW-UHFFFAOYSA-N 425.295 3.738 0 40 IHAB CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 32674834 DWTGYUIJOCFICN-NJSNPTHGSA-N 437.628 3.734 0 40 IHAB Cc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 32718825 XZJSHFHCGINFDL-IBGZPJMESA-N 440.590 3.974 0 40 IHAB CCc1ccc([C@H](CNC(=O)[C@H]2Cc3ccccc3CN2C(=O)c2ccco2)N(C)C)cc1 32734517 FJWCXDLZTIXRDF-RPWUZVMVSA-N 445.563 3.828 0 40 IHAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1Cc1ccco1)NCC(F)(F)F 32741836 ISRWIOVZVIMLMH-UHFFFAOYSA-N 435.431 3.838 0 40 IHAB COC(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)s1 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CC(=O)N(C)C1CCN(C(=O)c2ccc(COc3cccc(Br)c3)o2)CC1 58147413 ALTLDGVZVJAMKN-UHFFFAOYSA-N 435.318 3.704 0 40 IHAB O=C(CSc1nnc(-c2ccncc2)n1CC(F)(F)F)N1CCc2ccccc2C1 58434422 XAKRFNPFUBQNHE-UHFFFAOYSA-N 433.459 3.579 0 40 IHAB C[C@H]1CN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(F)cc3)c2)[C@@H](C)CO1 58703181 YNIRCSWYXWRPTD-STQMWFEESA-N 426.897 3.529 0 40 IHAB COc1cc(NC(=O)Cn2ccc3ccn(Cc4ccccc4F)c3c2=O)cc(OC)c1 62007373 DIGVFZKOBMXYFR-UHFFFAOYSA-N 435.455 3.646 0 40 IHAB O=C(NCc1ccccc1Cl)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 64985379 VMINCMQNBJQVIK-OAQYLSRUSA-N 442.924 3.613 0 40 IHAB CC(=O)Nc1nc(C(=O)O[C@H]2CCC[C@H]2N2CCN(c3cccc(Cl)c3)CC2)cs1 72310692 GZCGLYCFLQKVTK-MOPGFXCFSA-N 448.976 3.655 0 40 IHAB COc1ccc(-c2ccc(C[C@H]3CN(C(=O)c4cccc(F)c4)CCNC3=O)cc2)cc1 72391000 WGQAHGUDHUETRN-QFIPXVFZSA-N 432.495 3.932 0 40 IHAB O=C(NCc1ccc(OC(F)(F)F)cc1)c1nnn(-c2ccc(C(F)(F)F)cc2)n1 77100407 GYNFLBDCWUGNKN-UHFFFAOYSA-N 431.296 3.510 0 40 IHAB CC(=O)Nc1cccc(CN2CCN(CCCc3nc(-c4cccs4)no3)CC2)c1 78726159 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0 40 IHAB Cc1ccc(Cl)cc1N(CC(=O)NCCOc1cccc2ccccc12)S(C)(=O)=O 223519727 LAFDIBFCVLIBEY-UHFFFAOYSA-N 446.956 3.763 0 40 IHAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1cc(OC)cc(OC)c1 223595393 DGTXCTGMMICAPI-QHCPKHFHSA-N 442.556 3.806 0 40 IHAB COCCCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1Cl 224244994 QLCDJTFVAFQCIE-UHFFFAOYSA-N 431.341 3.585 0 40 IHAB Cc1ccc(C(=O)NCCN(C)c2ccccc2)cc1N(C)S(=O)(=O)c1ccccc1 224300835 WCAYWEUCEQEEHV-UHFFFAOYSA-N 437.565 3.686 0 40 IHAB Cc1cc(C)c2c(c1)N(CC(=O)NCCc1ccc(F)cc1)S(=O)(=O)c1ccccc1-2 224558594 QVHIHBRLJNRQJL-UHFFFAOYSA-N 438.524 3.977 0 40 IHAB CCOC(=O)CN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(OCC)cc1 224601645 ZLJBJTNURYDZAV-UHFFFAOYSA-N 431.432 3.863 0 40 IHAB CCN(CC(=O)Nc1c(C)cc(Br)cc1C)S(=O)(=O)c1ccc(F)cc1 226059975 CLPDUUVDEVJHPY-UHFFFAOYSA-N 443.338 3.854 0 40 IHAB Cc1nc([C@@H]2CCN(C(=O)CC3CCCC3)C2)nc(C)c1CC(=O)NC1CCCCC1 257242101 IBDATBPADNIVTL-HXUWFJFHSA-N 426.605 3.981 0 40 IHAB 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CCn1c(CNC(=O)c2ccc(C)cc2)nnc1SCC(=O)Nc1ccccc1Cl 409329044 CKCXHPJEGWPKAT-UHFFFAOYSA-N 443.960 3.921 0 40 IHAB CCOc1cc([C@H]2CC(=O)N=C3N=CNN32)ccc1OCc1ccc(Br)cc1 409377896 MBNPLTNOKHAOSZ-MRXNPFEDSA-N 443.301 3.603 0 40 IHAB Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)Nc1ccc(Cl)c(CN(C)C)c1 500750526 PFXZMABNKKHXRF-UHFFFAOYSA-N 445.976 3.796 0 40 IHAB C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1C(=O)CCn1cnc2ccccc2c1=O 552837430 OMYAWHIHOWFHKZ-MGPUTAFESA-N 445.441 3.794 0 40 IHAB CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1cc2ccccc2o1 575621605 PXWWHZKCSDYTMO-MRXNPFEDSA-N 435.402 3.689 0 40 IHAB C[C@H](NC(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1)c1ccc2nc(O)[nH]c2c1 614114013 ZNUFFTCAKHRDFV-FPTDNZKUSA-N 442.475 3.702 0 40 IHAB Cc1cc(C)cc(NC(=O)C(=O)N[C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)c1 643013974 CKOHJOULSBOFLJ-LJQANCHMSA-N 447.457 3.741 0 40 IHAB COc1cccc(CN2CCN(C)C(=O)[C@@H]2Cc2ccc(-c3ccncc3)cc2)c1OC 1848351814 NDMOYSKMSFEJPU-QHCPKHFHSA-N 431.536 3.651 0 40 IHAB CCOc1ccc2nc(COC(=O)c3cccs3)c(C(=O)c3ccccc3)[n+]([O-])c2c1 2238263 GMZGEPSRCCKLFB-UHFFFAOYSA-N 434.473 3.916 0 40 IHAB COc1ccccc1C(=O)N1[C@@H](CC(=O)Nc2ccc(C)c(C)c2)C(=O)N[C@@H]2CCCC[C@@H]21 2241291 PTBCTVVKUYENGB-FSSWDIPSSA-N 449.551 3.593 0 40 IHAB COc1ccc(S(=O)(=O)N2CN(Cc3ccccc3)c3nc4ccccc4nc32)cc1 2418690 JHKJBZNTUOWMEJ-UHFFFAOYSA-N 432.505 3.811 0 40 IHAB CCOc1ccc(-c2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)n2N)cc1 2445714 YPLYCEXXPITQRY-UHFFFAOYSA-N 437.447 3.807 0 40 IHAB C[C@@H](NC(=O)c1ccccc1NC(=O)COn1nnc2ccc(Cl)cc21)c1ccccc1 2631847 NYMLYUCUPMPTFC-OAHLLOKOSA-N 449.898 3.643 0 40 IHAB C[C@@H](OC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)C(=O)NCc1ccccc1 3336981 GNVYILPBSMMFLB-GOSISDBHSA-N 426.476 3.796 0 40 IHAB CCOc1ccc(NC(=O)CSc2nnc(CNc3ccc(OC)cc3)n2C)cc1 6089876 JEWPRYJQKZQULA-UHFFFAOYSA-N 427.530 3.565 0 40 IHAB C[C@@H]1CCCCN1[C@@H]1CC(=O)N(c2ccc(Br)cc2Br)C1=O 8443803 HPIUKAZXFXVOSS-QMTHXVAHSA-N 430.140 3.718 0 40 IHAB O=C(CN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)N1CCN(c2ccccc2)CC1 8756988 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O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 9669624 PXRLWNHYILHZQX-HNNXBMFYSA-N 448.566 3.829 0 40 IHAB Cc1ccc(OCC(=O)Nc2cccc(-c3nnnn3C3CC3)c2)c(Br)c1 9710464 ILPSZMCINGLYFU-UHFFFAOYSA-N 428.290 3.763 0 40 IHAB CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1OCC(=O)Nc1ccc(C(C)C)cc1 9761890 LANBKKJSZMZQNQ-UHFFFAOYSA-N 449.507 3.859 0 40 IHAB O=C(CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1)NC[C@H]1CCCO1 9795121 IXVXWTVRBAYVNC-LJQANCHMSA-N 442.972 3.899 0 40 IHAB O=C(Nc1nc2c(F)cccc2s1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 10337465 UBMQVRPKOXUURC-UHFFFAOYSA-N 437.493 3.614 0 40 IHAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)OCC(=O)N1CCc2ccccc21 10812065 KOKJZZAJQBJYPW-UHFFFAOYSA-N 428.492 3.564 0 40 IHAB CC(=O)Nc1ccc(-c2csc(NC(=O)CCCNC(=O)c3ccco3)n2)c(F)c1 10994109 NKYHLNGOBNVROP-UHFFFAOYSA-N 430.461 3.649 0 40 IHAB CCCCOc1ccc(C(=O)N2CCC3(CC2)NC(=O)N(Cc2ccc(C)cc2)C3=O)cc1 11694070 MEGUFJAIOMKJLT-UHFFFAOYSA-N 449.551 3.901 0 40 IHAB O=C(c1ccc2c(c1)OCO2)c1cn(Cc2ccccc2)c2cc3c(cc2c1=O)OCO3 12414860 SMDOIQLVOVQVFH-UHFFFAOYSA-N 427.412 3.738 0 40 IHAB Cc1cccc(N2CCN(C(=O)COc3ccc4c5c(c(=O)oc4c3)CCC5)CC2)c1C 12512203 AKKGJRRUYVPYTF-UHFFFAOYSA-N 432.520 3.626 0 40 IHAB Cc1ccc(CNC(=O)[C@@H](C(=O)c2ccc(Br)cc2)n2ccccc2=O)cc1 12628284 XZVWVUNOVKUEHW-HXUWFJFHSA-N 439.309 3.660 0 40 IHAB O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1cccc(NC(=O)c2cccs2)c1 12748323 MCCZUMDXVHZCKI-SFHVURJKSA-N 441.578 3.865 0 40 IHAB C[C@@H](OC(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccccc1F 12756781 WNPUAONVNCSGKS-PQPQCLORSA-N 442.531 3.903 0 40 IHAB CN(CC(=O)Nc1ccccc1Cl)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 12770482 SGQNJXLDNBQAGJ-UHFFFAOYSA-N 426.879 3.864 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(Oc2cccc(C)c2)c(NC(=O)c2cnccn2)c1 12787609 KUIXYGFZVVVHAQ-UHFFFAOYSA-N 440.525 3.860 0 40 IHAB CC(=O)Nc1ccc(-c2csc(NC(=O)[C@H]3CC(=O)N(CCc4ccccc4)C3)n2)cc1 12797355 NDRZTHIPAHPKFQ-IBGZPJMESA-N 448.548 3.798 0 40 IHAB CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1NC(=O)c1cc(Cl)ccc1OC 13010268 JQMMHQFBVJSVJH-UHFFFAOYSA-N 441.871 3.632 0 40 IHAB C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc2c(c1)OCCO2 13117708 URTYTSAPEOMJCQ-QGZVFWFLSA-N 444.553 3.514 0 40 IHAB CC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1nnc(-c2cccs2)n1C1CC1 14077363 PUGLGIQIDCTLQL-QGZVFWFLSA-N 426.567 3.750 0 40 IHAB Cc1ccc(Cn2nc(C)c(C(=O)N3CCC(n4c(=O)[nH]c5ccccc54)CC3)c2C)cc1 14180467 MFFBAQNZLQKWNB-UHFFFAOYSA-N 443.551 3.977 0 40 IHAB C[C@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)N1CCN(C(=O)c2cccs2)CC1 14244253 FXDUGTSPQYDLFG-GOSISDBHSA-N 447.560 3.764 0 40 IHAB O=C(c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)N1CCN(c2ccccc2)CC1 15345901 ISMAFHUYFYDWHL-UHFFFAOYSA-N 439.512 3.589 0 40 IHAB CCn1nnc(NCc2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)n1 15356937 XJLBQAQBLRWLMH-UHFFFAOYSA-N 432.322 3.964 0 40 IHAB CCOC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccc(OCC(C)C)cc2)c1 16687783 XJQMYFUGOYRKAY-UHFFFAOYSA-N 426.513 3.987 0 40 IHAB COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1cc(C(=O)O)ccc1C 17101144 RUEMWSHBGWOICI-UHFFFAOYSA-N 437.315 3.900 0 40 IHAB Cc1cc(-c2cnc(NCCNC(=O)c3cscn3)nc2-c2ccc(C)s2)on1 19217456 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448.541 3.989 0 40 IHAB Cc1c(C(=O)COC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)oc2ccccc12 23592282 WZRMSSGUAVIRSC-UHFFFAOYSA-N 441.505 3.568 0 40 IHAB CCOC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)CC1 24923686 URNUMYTWKNWOBV-HZPDHXFCSA-N 440.540 3.640 0 40 IHAB CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1 25174271 MWYFFMBFJWCHQJ-UHFFFAOYSA-N 448.951 3.572 0 40 IHAB O=C(NCCc1cccnc1)c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 25598156 YYLLOHBBJQCFON-UHFFFAOYSA-N 449.454 3.874 0 40 IHAB CN(Cc1ccc(C(=O)Nc2ccccc2)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 25811551 OTYHUNXJHNLHJU-UHFFFAOYSA-N 438.505 3.531 0 40 IHAB CCOC(=O)c1sc2cccc(F)c2c1COC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 26461397 YYJCWEBBJSXGDC-RBZFPXEDSA-N 437.514 3.714 0 40 IHAB Cc1cc(C)n2nc(C(=O)Nc3ncc(Cc4ccccc4Br)s3)nc2n1 26620926 RHSYXQKBCNVKBU-UHFFFAOYSA-N 443.330 3.803 0 40 IHAB Cc1ccc(-n2ccc(=O)c(C(=O)NC[C@@H](c3ccccc3)N3CCCCC3)n2)cc1C 28292801 QHIFNOGAIWSOMR-QHCPKHFHSA-N 430.552 3.806 0 40 IHAB O=C(CN[C@@H](c1ccc(F)cc1)c1cccs1)NC(=O)Nc1ccc2c(c1)OCCO2 29936303 FCHICWZGJCTRLT-NRFANRHFSA-N 441.484 3.686 0 40 IHAB CC(C)C(=O)Nc1ccc(CNC(=O)NCCc2cc(Cl)c3c(c2)OCCO3)cc1 31024333 BUDPNHJWJUGINQ-UHFFFAOYSA-N 431.920 3.748 0 40 IHAB CCCCn1nc(C(=O)N(CC)CC(=O)Nc2c(F)cccc2F)c2ccccc2c1=O 31173911 IIVWKBWPXBMOBN-UHFFFAOYSA-N 442.466 3.576 0 40 IHAB Cc1ccc(CN2CCCN(C(=O)[C@@H]3CCCN(C(=O)c4ccc(C)cc4)C3)CC2)cc1 31225725 BSRMBHQAFTZDNT-RUZDIDTESA-N 433.596 3.890 0 40 IHAB CC[C@]1(C)Cc2nc3sc4c(=O)n(CC(=O)NCc5ccccc5)cnc4c3cc2CO1 32094450 OFJVYXSIBMSLLW-XMMPIXPASA-N 448.548 3.564 0 40 IHAB Cc1ccccc1OCC(=O)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1 32125205 SCGQFZZKBPWVTH-UHFFFAOYSA-N 429.520 3.975 0 40 IHAB O=C(Cn1nnc(-c2cccc(Cl)c2)n1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 32719094 ODALIEIGEHYTST-GOSISDBHSA-N 439.903 3.519 0 40 IHAB Nc1nc(SCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)nc2sccc12 32841108 VZUFQLCVJFYMTR-CQSZACIVSA-N 428.539 3.501 0 40 IHAB Cc1ccc(-c2cnc(CCC(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)o2)cc1 32883724 PHWQKNJUEPBPQC-UHFFFAOYSA-N 425.510 3.761 0 40 IHAB CCN(CC)[C@@H](CNC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1)c1cccc(OC)c1 32902750 ZGRJLPAKSONVKV-IWGBCORSSA-N 442.556 3.934 0 40 IHAB Cc1ccc(Cc2cnc(NC(=O)CNC(=O)c3ccc4c(c3)OCO4)s2)cc1Cl 32907113 RJYNYUFMPDERDY-UHFFFAOYSA-N 443.912 3.793 0 40 IHAB CC(=O)NCCCCCC(=O)OCC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccco1 32936171 TZCDUIFEEPLAEF-NRFANRHFSA-N 439.512 3.505 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2cccc(C(F)(F)F)c2)ccc1F 32994806 HARFQINCXUNMLE-UHFFFAOYSA-N 432.439 3.805 0 40 IHAB CC[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1)c1ccccc1 44903493 MTRSTBYOTXSRKH-XZOQPEGZSA-N 428.598 3.929 0 40 IHAB C[C@H]1C[C@H](C)CN(Cc2ccc(CNC(=O)c3ccc(CS(C)(=O)=O)cc3)cc2)C1 48345523 CGIYGEGRUZOOEC-OALUTQOASA-N 428.598 3.639 0 40 IHAB COCCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3cc(C)cc(C)c3)c2c1=O 48988068 YLYRSYMIKJZJNR-UHFFFAOYSA-N 430.508 3.767 0 40 IHAB O=C(CCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)Nc1ccc(O)c(C(=O)O)c1 54360728 UWTXFUXHANSTGZ-SXGWCWSVSA-N 446.868 3.809 0 40 IHAB CCc1nc(NC(=O)CN(C)CC(=O)Nc2ccc(Br)cc2C)sc1C 58003657 GRHINCSPGVVVTB-UHFFFAOYSA-N 439.379 3.594 0 40 IHAB CN(CCCC(=O)N1CCCCC[C@H]1c1ccncc1)S(=O)(=O)c1ccc(F)cc1 59254066 MMASGWGGHUPAGO-NRFANRHFSA-N 433.549 3.765 0 40 IHAB Cc1cccc(NC(=O)c2cc(NC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)ccc2Cl)n1 102836997 MHGBPOXZAIBOHN-OYUDYFSCSA-N 425.872 3.757 0 40 IHAB CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]2[C@@H]2C=Cc3ccc4cccnc4c3N21 103460884 NSYYOCZKQDTUGG-UGNRZPKXSA-N 431.536 3.834 0 40 IHAB Cc1ccccc1N(CCCC(=O)Nc1ccc(Br)cc1)S(C)(=O)=O 222549843 PTROZVMMSILICZ-UHFFFAOYSA-N 425.348 3.942 0 40 IHAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 222751266 RQCZOFCMQQABGC-MRXNPFEDSA-N 446.569 3.667 0 40 IHAB CC[C@@H](C(=O)NCCOc1cccc2ccccc12)N(c1ccc(C)cc1)S(C)(=O)=O 223545318 KOMSZZQRNGDCQX-QFIPXVFZSA-N 440.565 3.888 0 40 IHAB Cc1cccc(N(CCCC(=O)NCCOc2cccc3ccccc23)S(C)(=O)=O)c1 223557088 ZTHZJWFYHHVZRF-UHFFFAOYSA-N 440.565 3.890 0 40 IHAB CC[C@H](C(=O)NCCc1ccc(Cl)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 224300090 QUDVRFWQYYMLNO-GOSISDBHSA-N 429.369 3.897 0 40 IHAB CCC1(CC)C[C@@H](NS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)c2ccccc2O1 225094187 LAVQACLPIMCYBK-LJQANCHMSA-N 442.537 3.701 0 40 IHAB CC[C@@H](NC(=O)CCCN(c1ccccc1F)S(C)(=O)=O)c1ccc(OC)c(C)c1 225361979 JDOOGLWYONXEQV-LJQANCHMSA-N 436.549 3.956 0 40 IHAB CCCc1cc(C(=O)N2CCC[C@H](c3n[nH]cc3C(=O)N(C)C3CCCCC3)C2)no1 257238871 HMWTZBSZJRBDDO-INIZCTEOSA-N 427.549 3.775 0 40 IHAB CO[C@H]1CC[C@H](C(=O)NC2CCN(c3ncc(-c4ccncc4)c(C(C)C)n3)CC2)CC1 257243789 IIOAZRYBMWCEEY-XUTJKUGGSA-N 437.588 3.952 0 40 IHAB CCOc1ccc2nc(NC(=O)CN3CC[C@H](Oc4ccccc4)[C@@](C)(O)C3)sc2c1 257271771 MZSJLCDAICFADC-REWPJTCUSA-N 441.553 3.538 0 40 IHAB O=C(c1ccnc(Cc2ccccc2)c1)N1CCC[C@H](Cc2cncc(-c3ncc[nH]3)n2)C1 257293988 QRYVKLBJIWKLTQ-HXUWFJFHSA-N 438.535 3.947 0 40 IHAB COc1ccc([C@@H]2CN(C(C)=O)CCN2C(=O)c2cccnc2Oc2ccc(C)nc2)cc1 257298770 RNFKOWBPLPAVCD-QHCPKHFHSA-N 446.507 3.632 0 40 IHAB Cc1ccc(C)c(N([C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)S(C)(=O)=O)c1 260899888 QPMXDYPFOZUNPZ-CQSZACIVSA-N 430.448 3.995 0 40 IHAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3cccnc3)c(C)c2)cc1C 408674846 JUXYHJXZFXGRNL-UHFFFAOYSA-N 439.537 3.503 0 40 IHAB O=C(/C=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1)NCc1ccccc1Cl 409173701 QLNAGRXTTAOBQE-OUKQBFOZSA-N 430.913 3.741 0 40 IHAB CNC(=O)c1cccc(OCC(=O)Nc2ncccc2OCc2cccc(Cl)c2)c1 535500435 CCSFSMDVLCJUSN-UHFFFAOYSA-N 425.872 3.691 0 40 IHAB COCCn1ccc2c(OCC(=O)N3CCC[C@@H]3c3nc4ccccc4n3C)cccc21 575443045 DXPJWQOFYKYSDC-JOCHJYFZSA-N 432.524 3.917 0 40 IHAB O=C(Nc1ccccc1Cc1nc(-c2cnccn2)no1)c1ccc(Br)o1 575607680 PJLDMWUUJBPKGQ-UHFFFAOYSA-N 426.230 3.725 0 40 IHAB Cc1cnc(Nc2cccc(C3CCN(C(=O)[C@H]4CCCC[C@H]4C(N)=O)CC3)n2)s1 585263627 WTGBASMORMESTL-SJORKVTESA-N 427.574 3.588 0 40 IHAB Cc1c(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)oc2ccc(F)cc12 634063 IWWFLOUSYQACGX-UHFFFAOYSA-N 426.429 3.723 0 40 IHAB Cc1cc(C)c2cc(CN(Cc3cccnc3)C(=S)NC[C@@H]3CCCO3)c(=O)[nH]c2c1 883184 WPFOQRZODQJANT-FQEVSTJZSA-N 436.581 3.596 0 40 IHAB COc1ccccc1NC(=O)Cn1nnc(-c2ccccc2NC(=O)c2cccc(C)c2)n1 1372758 YOPSBWVQUZPVEZ-UHFFFAOYSA-N 442.479 3.548 0 40 IHAB O=C(NC1CC1)c1ccc(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)cc1 1383912 ODSHDWNGNGISJL-OVKIHRCZSA-N 434.495 3.975 0 40 IHAB COC(=O)C1=C(C)N=c2s/c(=C\c3cccc4ccccc34)c(=O)n2[C@@H]1c1ccccc1 2059828 GKIVQYRQZVDMQG-FQWPPLDYSA-N 440.524 3.561 0 40 IHAB C[C@H](Sc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3)C(=O)O 2398553 QFIBGTBUTSLTIB-NSHDSACASA-N 430.555 3.520 0 40 IHAB CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(CSC)o2)cc1 4076736 XPRCSYCAJDZIHI-UHFFFAOYSA-N 440.591 3.776 0 40 IHAB aggregator CCCCCOc1ccc(NC(=O)[C@@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]32)cc1 8660787 KOTQDXOXUNHJPR-RFBJODPTSA-N 435.517 3.591 0 40 IHAB O=C(Cn1cc(S(=O)(=O)c2ccccc2)c2ccccc21)Nc1ccc2c(c1)OCCO2 8865240 HAOPXDWLMORPNG-UHFFFAOYSA-N 448.500 3.884 0 40 IHAB O=C(CN1c2cccc3cccc(c23)S1(=O)=O)NCCSCc1ccccc1F 9125855 LSUPBVRHYXELOM-UHFFFAOYSA-N 430.526 3.537 0 40 IHAB CC(C)(C)OC(=O)CSc1nc2sc3c(c2c(=O)n1C[C@H]1CCCO1)CCCC3 9219411 QNJVWHXRRIHCIQ-CYBMUJFWSA-N 436.599 3.950 0 40 IHAB COc1cc(C)cc2oc(=O)c(CC(=O)NC3CCN(Cc4ccccc4)CC3)c(C)c12 9252624 ZYAGRKPXZKBNLE-UHFFFAOYSA-N 434.536 3.742 0 40 IHAB O=C(Cn1nnc(-c2cccc(F)c2)n1)N1N=C(c2cccs2)C[C@H]1c1cccs1 9349538 MBGZVYWVVIKXKY-INIZCTEOSA-N 438.513 3.980 0 40 IHAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nc4c(s3)CCCC4)cc2)C1 9367309 MRFSZXWJYLCFMH-HUUCEWRRSA-N 433.599 3.941 0 40 IHAB Cc1cccc(NC(=O)[C@H](C)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)c1 9447949 OAYVAFYMNGUJPL-UWJYYQICSA-N 437.540 3.800 0 40 IHAB Cc1cc2cc(CNC(=O)C(=O)c3cn(CC(=O)N4CCCC4)c4ccccc34)ccc2[nH]1 9518882 RSXASRKDCLYRLK-UHFFFAOYSA-N 442.519 3.553 0 40 IHAB COc1ccc(C(=O)Nc2nc(CC(=O)N[C@@H](C)c3ccccc3)cs2)cc1OC 9628132 AQHBKWUYCIMIRG-AWEZNQCLSA-N 425.510 3.833 0 40 IHAB CC(=O)c1ccccc1NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2Cl)C1=O 9661936 XTOSHOULNMYGJN-FQEVSTJZSA-N 434.279 3.602 0 40 IHAB O=C(NCc1cn2cc(Cl)ccc2n1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 9662849 LGBIXWVYWOMKKK-UHFFFAOYSA-N 430.851 3.718 0 40 IHAB Cc1cc(NC(=O)CSc2nnc(CSc3nc4ccccc4s3)n2C)no1 9666493 ICEUZDHRNLRYAD-UHFFFAOYSA-N 432.556 3.744 0 40 IHAB O=C(C[C@H]1OC(=O)c2ccccc21)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 9728082 ISYSNRNUEVMSOE-OAQYLSRUSA-N 444.443 3.586 0 40 IHAB Cc1ccc(CNC(=O)[C@H](C(=O)c2ccc(Br)cc2)n2ccccc2=O)cc1 9763643 XZVWVUNOVKUEHW-FQEVSTJZSA-N 439.309 3.660 0 40 IHAB C[C@@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)N1CC(=O)Nc2ccccc21 9782535 SOZCLZZSVSANJP-GFCCVEGCSA-N 425.539 3.807 0 40 IHAB COc1ccc(NC(=O)c2ccc(CN3C(=O)N[C@]4(CCc5ccccc54)C3=O)cc2)cc1 9799741 AELHKTOTDANFKY-SANMLTNESA-N 441.487 3.841 0 40 IHAB COc1ccc(N(CC(=O)Nc2cccc(C)c2)S(=O)(=O)c2ccc(F)cc2)cc1 9847004 HIMRKHISJKSRDD-UHFFFAOYSA-N 428.485 3.977 0 40 IHAB COc1ccc(-c2nc(NC(=O)CCN3C(=O)Cc4ccccc4C3=O)sc2C)cc1 10031223 JCJKAIZNSRLHHI-UHFFFAOYSA-N 435.505 3.681 0 40 IHAB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC(C(=O)Nc2ccccc2)CC1 10445814 JQTBGQJCLDPBDW-QFIPXVFZSA-N 437.540 3.815 0 40 IHAB C[C@@H](C(=O)Nc1ccc(F)cc1Cl)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C 11071134 KEGBXCHDKWXVDT-KGLIPLIRSA-N 446.910 3.502 0 40 IHAB O=C(Nc1cccc(NC(=O)c2c[nH]nc2-c2ccc3c(c2)OCCO3)c1)c1ccco1 11361551 DQVINDAJYLNYLF-UHFFFAOYSA-N 430.420 3.946 0 40 IHAB O=C(CSc1nnc(N2CCCCC2)n1Cc1ccco1)N1CCc2ccccc2C1 11484860 XUZDDFLMMABOHC-UHFFFAOYSA-N 437.569 3.587 0 40 IHAB Cc1cc(C)cc(OCCSc2nc3ccccc3n2CC(=O)N2CCOCC2)c1 11667499 DBWMJFMHSAXURR-UHFFFAOYSA-N 425.554 3.683 0 40 IHAB O=C(Cc1cnc(-c2ccc(OC(F)(F)F)cc2)s1)N1CCC2(CC1)OCCO2 12322529 ZJLXTFQCTLUNJY-UHFFFAOYSA-N 428.432 3.617 0 40 IHAB O=C(CCc1nc2ccccc2[nH]1)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 12525317 DSPHCNDNJADGDW-UHFFFAOYSA-N 437.503 3.961 0 40 IHAB COc1ccc(C(=O)C2CCN(C(=O)CNC(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 12741756 SHWYXZAEFWTUQJ-UHFFFAOYSA-N 449.334 3.853 0 40 IHAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CCC(=O)c2ccc(Cl)cc2)CC1 12942484 LKBBWFSMVWJJKI-UHFFFAOYSA-N 441.959 3.703 0 40 IHAB CCOc1cccc(N2C(=O)C[C@@H](N3CCN(c4ccc(Cl)c(Cl)c4)CC3)C2=O)c1 13534266 YUFVODKQXSINRV-HXUWFJFHSA-N 448.350 3.846 0 40 IHAB CC[C@@H](C(=O)Nc1cc(OC)c(Cl)cc1OC)N(c1ccc(F)cc1)S(C)(=O)=O 13715863 OLDWXKQEHVBUGY-INIZCTEOSA-N 444.912 3.680 0 40 IHAB COc1ccc(OC)c([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC(=O)NC2CCCCC2)c1 13778283 KPUTUTOASGKPLY-FTBPSBKWSA-N 430.589 3.821 0 40 IHAB COc1ccccc1-n1nnnc1S[C@@H](C)C(=O)Nc1ccc(Br)cc1 14069518 QHANBAWPQRDMEJ-NSHDSACASA-N 434.319 3.553 0 40 IHAB Cc1ccc(C(=O)N(Cc2ccc3c(c2)OCO3)Cc2nc3ccccc3c(=O)[nH]2)cc1 15987549 YDWWPZFNUGKIBT-UHFFFAOYSA-N 427.460 3.803 0 40 IHAB CC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3ccc(C)c(C)c3)co2)s1 16047717 XSUIUBOZYNWMKG-UHFFFAOYSA-N 431.495 3.578 0 40 IHAB CC[C@H](C)Oc1cccc(C(=O)NC(=S)Nc2ccc(NC(=S)NC(C)=O)cc2)c1 16610441 XAQDSONTORXFFM-ZDUSSCGKSA-N 444.582 3.824 0 40 IHAB O=C(NCCc1ccc(Cl)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 17297599 BJTKLNPILFXQTO-UHFFFAOYSA-N 427.353 3.750 0 40 IHAB COc1cc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)ccc1OCc1c(C)noc1C 17701785 JEVVVMQLNLYXCO-NRFANRHFSA-N 435.524 3.883 0 40 IHAB Cc1ccc(CC(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CN(C2CCC(C)CC2)CC3)cc1 19209597 DUMZLSQGVWZUHX-NFDBJIOVSA-N 448.611 3.921 0 40 IHAB CCOc1ccc(CC(=O)N2CCCC[C@H]2c2nc(O)c3c(n2)CN(C(C)C)CC3)cc1 19532996 KVPTWYSLHYPCAG-QFIPXVFZSA-N 438.572 3.644 0 40 IHAB CCN1CCN(C(=O)c2cncn2CC)C[C@H](Cc2ccc(-c3ccccc3)cc2)C1=O 19578423 PCSMOMGYSBWPIV-QHCPKHFHSA-N 430.552 3.733 0 40 IHAB Cc1onc(-c2ccncc2)c1C(=O)NCCn1nc(-c2ccccc2F)cc1CN(C)C 19579738 IDAOOZJPODDPCC-UHFFFAOYSA-N 448.502 3.539 0 40 IHAB O=C(NC(=S)Nc1cccc(NC(=O)c2cccs2)c1)c1ccc2c(c1)OCCO2 19629788 MMKKPVFCWGZOKB-UHFFFAOYSA-N 439.518 3.898 0 40 IHAB COc1cccc(CN2C(=O)CCc3c(C)nc(CN(C)CCc4ccccc4)nc32)c1 19698632 VBUMXEWUFBKSDU-UHFFFAOYSA-N 430.552 3.948 0 40 IHAB Cc1nc([C@H]2CCCN(C(=O)CCCc3c[nH]c4ccccc34)C2)nc2c1CCC(=O)N2C 19741310 AQSAOJBFPMAKGQ-IBGZPJMESA-N 445.567 3.904 0 40 IHAB O=C(Nc1nccs1)c1cc([C@H]2CCN(C(=O)c3cccnc3)C2)nc2ccccc12 19754887 PGYYIHVVVQGAGI-INIZCTEOSA-N 429.505 3.968 0 40 IHAB Cc1ccc(C(=O)CSc2nnc(CN3N=C(c4ccccc4)CCC3=O)n2C)cc1 19797193 LDOQGHXOKXVJLN-UHFFFAOYSA-N 433.537 3.625 0 40 IHAB O=C(N[C@]1(C(F)(F)F)N=C(c2ccccc2)N(Cc2ccccc2)C1=O)c1ccco1 19939392 QHGANCFOFXAOAZ-OAQYLSRUSA-N 427.382 3.757 0 40 IHAB COc1ccc(Cl)cc1N(CC(=O)N(C)C1CCCC1)S(=O)(=O)c1ccccc1 20453221 RYWXJUGJFTZZKN-UHFFFAOYSA-N 436.961 3.945 0 40 IHAB COCc1nc(N2CCN(c3ccc(Cl)cc3)CC2)[nH]c(=O)c1CCc1ccccc1 22448790 CEHAEFDSGKHIDF-UHFFFAOYSA-N 438.959 3.682 0 40 IHAB COC(=O)c1sccc1S(=O)(=O)Nc1cc(Cl)ccc1OCC(F)(F)F 22609059 QEOLBVHLOQFVDB-UHFFFAOYSA-N 429.825 3.930 0 40 IHAB O=C(OCc1csc(-c2ccco2)n1)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 25619999 DPBCQSJVDKLTAK-UHFFFAOYSA-N 438.914 3.854 0 40 IHAB COc1ccc([C@@H](CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)N2CCCC2)cc1 25653667 WKDAHMOVFUVHLX-LJQANCHMSA-N 428.476 3.829 0 40 IHAB O=C(C[C@]12CSc3[nH]c(=O)sc3[C@@H]1c1ccccc1OC2=O)Nc1ccc(F)cc1 32594560 TWGACGTXPPZFJR-KKSFZXQISA-N 442.493 3.747 0 40 IHAB COc1ccc(-c2nc(CC(=O)NC[C@H](c3cccc(F)c3)N(C)C)cs2)cc1OC 32729952 QZJUXVOKQPECBI-LJQANCHMSA-N 443.544 3.928 0 40 IHAB COc1ccc(OC)c(N2C[C@@H](C(=O)Nc3nc4ccc(Cl)cc4s3)CC2=O)c1 32796448 XISUCGLKRSVBDG-NSHDSACASA-N 431.901 3.959 0 40 IHAB CCOc1ccccc1C(=O)N[C@@H](C(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1)C(C)C 32970957 PKSFQCIPERBGFZ-WZONZLPQSA-N 434.540 3.903 0 40 IHAB COc1ccc([C@H](C)NC(=O)Cn2c(=O)nc(-c3ccccc3)c3ccccc32)cc1OC 33048961 CBTUXVSUOHZVHR-KRWDZBQOSA-N 443.503 3.958 0 40 IHAB CCOc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCN(C)CC2)cc1Cl 35103687 CDDMSHIAMGWENG-UHFFFAOYSA-N 432.977 3.617 0 40 IHAB CC(C)[C@H](NC(=O)CCNC(=O)c1ccc(F)cc1F)c1ccc2c(c1)OCCCO2 40049409 FIYXAAPCHFJYJD-QFIPXVFZSA-N 432.467 3.760 0 40 IHAB COC(=O)c1ccc(N2CCCC2)c(NC(=O)NC[C@@H](c2ccco2)N2CCCC2)c1 40104487 PQLVAFNJRWLJTL-FQEVSTJZSA-N 426.517 3.625 0 40 IHAB COc1cc(CNC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc(OC)c1OC 44917442 KZBAXTVNXNDUMV-GOSISDBHSA-N 432.948 3.894 0 40 IHAB COc1ccc(-c2ccc(=O)n(CC(=O)Nc3nnc(C4CCCCC4)s3)n2)c(F)c1 49550859 MAGFINKKMLTNKY-UHFFFAOYSA-N 443.504 3.596 0 40 IHAB Cc1ccccc1C(=O)NC(=S)Nc1ccc(N2CCN(C(=O)C(C)(C)C)CC2)cc1 57316279 BLRVCYRVIXJPFE-UHFFFAOYSA-N 438.597 3.817 0 40 IHAB O=C(Cn1nc2c(-c3nc(-c4cccc(Cl)c4)no3)cccn2c1=O)Nc1ccccc1 57504569 GDDHAICIIIZCKO-UHFFFAOYSA-N 446.854 3.505 0 40 IHAB Cn1nnnc1Sc1ccc(Br)cc1NC(=O)c1cc(F)cc(F)c1 58438321 QWJIRRDPBKKXAS-UHFFFAOYSA-N 426.246 3.654 0 40 IHAB CCOC(=O)COc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCC4)cc1OC 60639065 ZZEAOZYCDSRIOH-UHFFFAOYSA-N 428.510 3.871 0 40 IHAB O=Cc1cn(CC(=O)NCc2ccc3c(c2)OCCCO3)c2ccc(Br)cc12 64987015 KLFMTWPVZAEDQP-UHFFFAOYSA-N 443.297 3.694 0 40 IHAB COC(=O)[C@@H](NC(=O)CCC(=O)CCC(=O)c1ccc(C)s1)c1cc(F)ccc1F 65575788 NFPHIHQWLSNKKI-FQEVSTJZSA-N 437.464 3.677 0 40 IHAB COc1cccc2cc(C(=O)NCc3ccco3)/c(=N/c3ccc4c(c3)OCCO4)oc12 67298972 CYTJJXCNGRVREX-LCUIJRPUSA-N 432.432 3.968 0 40 IHAB O=C(Cn1cnc2nc(N3CCCCC3)sc2c1=O)Nc1cccc(C(F)(F)F)c1 67316971 LFVLRNVJCCTZFS-UHFFFAOYSA-N 437.447 3.501 0 40 IHAB O=C(CSc1nnc(NC(=O)c2nc3ccccc3s2)s1)NC1CCCCC1 70635058 UFEYTJQECDJMES-UHFFFAOYSA-N 433.584 3.941 0 40 IHAB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 72296885 FKLAVGFDIJYNJZ-UFYCRDLUSA-N 447.576 3.747 0 40 IHAB COc1ccc2c(C)c(CC(=O)Nc3nnc(C4CCCC4)s3)c(=O)oc2c1OC 72325959 NGRXCJWQZFZCBT-UHFFFAOYSA-N 429.498 3.809 0 40 IHAB biogenic CNc1nc([C@H]2CCCCN2C(=O)C2(c3ccc(F)cc3)CCCC2)nc2c1CNCC2 72372349 VFSFZFXBDIGFRK-OAQYLSRUSA-N 437.563 3.869 0 40 IHAB COc1ccc(Cl)cc1NC(=O)N1CCC[C@@H](c2nn(C)c(=O)n2-c2ccccc2)C1 77100605 AHTDXZNKDFDEHJ-OAHLLOKOSA-N 441.919 3.645 0 40 IHAB O=C(NC[C@@]1(O)CCSC1)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1 78987162 PMQLQGSGGYNFDQ-VWLOTQADSA-N 444.560 3.744 0 40 IHAB CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C(=O)c3ccsc3)s2)c(C)c1 96119851 LAJFTJVVNZZPKX-UHFFFAOYSA-N 434.564 3.786 0 40 IHAB CCC(=O)N1CCc2nc3cc([C@H]4CCCCN4Cc4ccccc4F)nn3c(O)c2C1 100233939 HHJDHQGUAPWEON-OAQYLSRUSA-N 437.519 3.596 0 40 IHAB COc1ccccc1OCC(=O)NC[C@H]1CC[C@H](c2nn(C)cc2-c2ccncc2)CC1 100744876 SNMYCUOVNQMTLT-PUZFROQSSA-N 434.540 3.960 0 40 IHAB COc1ccc2[nH]c3c(c2c1)CCN([C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=O)C3 100792108 GISSEHZAJRJWSY-HXUWFJFHSA-N 443.425 3.886 0 40 IHAB biogenic CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)Nc1sccc1C(=O)NCc1ccco1)[C@H]2C(=O)O 102366671 IEZTXZCSFNOOQM-DTDBQYNISA-N 428.510 3.903 0 40 IHAB COc1ccccc1NC(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 113961260 MKJRIZOAUZEFBR-UHFFFAOYSA-N 430.448 3.899 0 40 IHAB COc1ccc(CN(C)C(=O)[C@H](C)N(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1 220243153 FZWKZFCTDXUDGM-ZDUSSCGKSA-N 445.368 3.815 0 40 IHAB CCOc1ccc(CNC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)cc1OCC 222558594 AELIQJVXQLFOSY-UHFFFAOYSA-N 448.585 3.655 0 40 IHAB CCOc1ccccc1N(CC(=O)NCC1CCCCC1)S(=O)(=O)c1ccccc1 223491530 KFJOAPPCLKGMID-UHFFFAOYSA-N 430.570 3.977 0 40 IHAB CCNC(=O)c1cc(S(=O)(=O)NCc2cccc(Oc3ccccc3)c2)ccc1OC 223879090 BHODRZACVSPABQ-UHFFFAOYSA-N 440.521 3.716 0 40 IHAB CC[C@@H](C(=O)Nc1nnc(SC(C)C)s1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 224597266 NILHMJAQNAIUHH-HNNXBMFYSA-N 442.632 3.839 0 40 IHAB CCc1ccc(OCCNC(=O)CCCN(c2ccccc2Cl)S(C)(=O)=O)cc1 224669372 RVMZKQOMQOELDL-UHFFFAOYSA-N 438.977 3.644 0 40 IHAB CC(C)Oc1ccc(N(CC(=O)NCc2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 224933914 OPMNHWCDANKVIY-UHFFFAOYSA-N 444.475 3.575 0 40 IHAB NC(=O)[C@@]1(c2ccccn2)CCCN(C(=O)C2(c3ccc(Cl)cc3)CCCCC2)C1 257224266 FBAKQZALIBUFSZ-DEOSSOPVSA-N 425.960 3.983 0 40 IHAB COc1ccc(-c2cncc([C@@H]3CN(Cc4c(C)nc5cc(C)ccn45)CCO3)n2)cc1 257287954 PSEUPHMKJNSFIN-DEOSSOPVSA-N 429.524 3.990 0 40 IHAB COc1ccccc1[C@H]1CN(C(=O)c2ccccc2Nc2nc(C)cc(C)n2)CCN1C 257302850 SERXNZAEGHUMPU-JOCHJYFZSA-N 431.540 3.975 0 40 IHAB COc1cc2c(cc1CN1CCO[C@H](c3ccc(Nc4cccc(C)n4)cn3)C1)OCCO2 257310467 UFEJTNURJGNITH-DEOSSOPVSA-N 448.523 3.882 0 40 IHAB COc1cccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c1 408536065 XRIIHVCPGFXLRC-UHFFFAOYSA-N 430.457 3.653 0 40 IHAB COc1cccc(NC(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc2Cl)c1 408597075 WEFPIYKHAGFZOR-UHFFFAOYSA-N 438.933 3.587 0 40 IHAB C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(C(=O)OCC(=O)N[C@H](C)c4ccccc4)cc3)C(=O)[C@@H]2C1 408658221 IHTNKABJYUNEFX-FTIBCMOBSA-N 448.519 3.646 0 40 IHAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 408695324 RTDSHHREEJQRNN-IBGZPJMESA-N 432.542 3.666 0 40 IHAB Cc1cccc(N(CCCC(=O)Nc2ccc(Br)cc2)S(C)(=O)=O)c1 408695975 XLRDIVYINLOJAV-UHFFFAOYSA-N 425.348 3.942 0 40 IHAB Cc1cccc(C(=O)N[C@H](c2nnc(SCC(=O)Nc3ccccc3)n2C)C(C)C)c1 409054553 BRGQPHVXOXZINX-FQEVSTJZSA-N 437.569 3.981 0 40 IHAB Cc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(C)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 409057427 PVOWQMRARWMRJT-WAUWHALJSA-O 432.931 3.973 0 40 IHAB Cc1cc(C)cc(NC(=O)CSc2nnc([C@H](C)NC(=O)c3cccc(C)c3)n2C)c1 409127165 PDXSWSRPLKFTGY-KRWDZBQOSA-N 437.569 3.962 0 40 IHAB CCCOc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(Cl)cc3)CC2=O)cc1 409168798 NRDMVAPXVHYDGJ-HNNXBMFYSA-N 430.888 3.664 0 40 IHAB C[C@@]1(O)CCN(C(=O)c2ccccc2)[C@@H](c2ccccc2)[C@@H]1NC(=O)c1ccc(F)cc1 604383063 BTXYRTCJOTWTPT-JCYRPKCISA-N 432.495 3.963 0 40 IHAB biogenic,in-vitro CC1(C)[C@H](c2ccc(F)c(F)c2)CCN1C(=O)Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1 1215966494 RWWKVJKFZBGMES-QFBILLFUSA-N 442.466 3.515 0 40 IHAB COC(=O)C1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccc(OCc2ccccc2C#N)cc1 639279 JVYOUQDORSRZEQ-QFIPXVFZSA-N 428.444 3.710 0 40 IHAB Cc1ccc(C)c(N2C[C@H](C(=O)Nc3ccc(I)cc3)CC2=O)c1 827193 JRUHLKZPWANPNB-CQSZACIVSA-N 434.277 3.900 0 40 IHAB Cc1ccc2c(c1)cc(CN(Cc1nnnn1C1CCCC1)C1CCCC1)c1nnnn12 1367517 XMCDNXSGAGHOHJ-UHFFFAOYSA-N 431.548 3.632 0 40 IHAB COc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2C)CCCC4)cc1OC 2395105 XDOLAAHPCNOQGS-UHFFFAOYSA-N 445.566 3.622 0 40 IHAB C[C@@H]1Cc2ccccc2N1C(=O)CN(C)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 2629366 ISZDULHJZWDMBG-GFCCVEGCSA-N 446.878 3.957 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(F)cc3)nc2O)c1 2693292 XSJUYRUBAAELRT-UHFFFAOYSA-N 447.513 3.502 0 40 IHAB CCOC(=O)C1=C(C)Oc2cc3c(cc2[C@H]1c1cc(OC)c(OC)c(OC)c1)OCO3 3053245 VFOCCKLHSPIAGY-OAQYLSRUSA-N 428.437 3.803 0 40 IHAB CCOC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)s1 3227684 BXDZRKNMBDLWLP-UHFFFAOYSA-N 436.555 3.660 0 40 IHAB Cc1sc2nc(CN3CCCCC3)nc(N3CCN(C(=O)c4ccco4)CC3)c2c1C 3330369 ZRMUKHFWAGLHSE-UHFFFAOYSA-N 439.585 3.849 0 40 IHAB Cc1cc(C(=O)COC(=O)c2nc3nccc(C)n3n2)c(C)n1Cc1ccccc1Cl 3348384 SPTJWZARXQJUMM-UHFFFAOYSA-N 437.887 3.592 0 40 IHAB O=c1c2ccccc2nnn1CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F 3519945 GPZXIPIMBZBWRY-UHFFFAOYSA-N 449.442 3.519 0 40 IHAB CC(C)N(C(=O)CN1C(=O)N[C@@](C)(c2cccc(Br)c2)C1=O)c1ccccc1 3593241 MKWVAGNIJYIDBV-NRFANRHFSA-N 444.329 3.658 0 40 IHAB CC1=C[C@H](C)C(COC(=O)CN2CCCCC2)(COC(=O)CN2CCCCC2)[C@@H](C)C1 4201051 ZHWAMRJQVFCPPU-VXKWHMMOSA-N 434.621 3.653 0 40 IHAB Cc1occc1-c1nnc(SCC(=O)NCc2ccc3c(c2)OCO3)n1CC(C)C 4400251 PKRCYLLWELFKCD-UHFFFAOYSA-N 428.514 3.640 0 40 IHAB COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(OC)c3)C(=O)N2CC(C)C)cc1 4738777 OJFZJMLGISYQKS-HXUWFJFHSA-N 425.485 3.526 0 40 IHAB O=C(CNCC1CCCCC1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 4985638 GCKLTCOCXRVZJS-UHFFFAOYSA-N 427.998 3.623 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccncc2)c2cccc(Cl)c2)cc1 6245602 BNVAAJNCHAQWDZ-UHFFFAOYSA-N 429.929 3.555 0 40 IHAB Cc1nnc2sc(-c3ccc(CNC(=S)NC(=O)c4ccc(Cl)cc4)cc3)nn12 9142204 NZCSGGQVANPISH-UHFFFAOYSA-N 442.957 3.619 0 40 IHAB CCOc1cc(-c2nnc(NC(=O)COc3ccccc3)o2)cc(OCC)c1OCC 9274857 GIKHZYCKCZYAAO-UHFFFAOYSA-N 427.457 3.950 0 40 IHAB COc1ccc(N2C[C@H](c3nc(-c4cccc(OC)c4OC)no3)CC2=O)cc1Cl 9318496 HDTCEFIMAZPXBF-GFCCVEGCSA-N 429.860 3.936 0 40 IHAB CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)c2c(NC(=O)c3ccco3)scc12 9381536 YISSQWRAOGGVFI-UHFFFAOYSA-N 427.413 3.608 0 40 IHAB CCn1c(CC(=O)Nc2ccc(C)c(Cl)c2)nnc1SCC(=O)NC1CCCC1 9426774 FXOZXROUVUVFMH-UHFFFAOYSA-N 435.981 3.592 0 40 IHAB Cc1ccc(NC(=O)CSc2nc3ccccc3[nH]2)cc1S(=O)(=O)N1CCCCC1 9439029 PNLSFACUOPPAIL-UHFFFAOYSA-N 444.582 3.777 0 40 IHAB COc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cc(C)on2)cc(OC)c1OC 9450535 HHWHHRHPXKOGDS-FQEVSTJZSA-N 448.431 3.865 0 40 IHAB C[C@H]1CCC[C@@H](NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccncc2)[C@@H]1C 9464375 PKJNQZKOIJLFOI-SQGPQFPESA-N 436.581 3.873 0 40 IHAB CN(C)S(=O)(=O)c1cccc(C(=O)N2CCc3sccc3[C@H]2c2ccccc2)c1 9477829 ITMXDRBKVLHWGM-OAQYLSRUSA-N 426.563 3.786 0 40 IHAB Cc1ccc(Cl)cc1N1C[C@@H](C)Cn2c1nc1c2c(=O)n(Cc2ccccc2)c(=O)n1C 9519262 AFHIJALPCNVPTD-OAHLLOKOSA-N 449.942 3.695 0 40 IHAB COc1ccc(C)cc1NC(=O)Cc1csc(NC(=O)c2ccc3c(c2)OCO3)n1 9659323 SPQFIBGLSMVCJV-UHFFFAOYSA-N 425.466 3.622 0 40 IHAB Cc1ccc(C)c(NC(=O)Cn2c(=O)n(Cc3ccc(Cl)cc3)c(=O)c3ncccc32)c1 9660667 QAWROBKJGXLTTP-UHFFFAOYSA-N 448.910 3.515 0 40 IHAB CC1CCN(c2ccc(NC(=O)Cc3ccc(S(=O)(=O)N4CCCC4)s3)cc2)CC1 9746178 QOVMWVSWEBYCTI-UHFFFAOYSA-N 447.626 3.950 0 40 IHAB COC[C@@H](C)n1c(C)cc(C(=O)CN2C(=O)N[C@@](C)(c3cc4ccccc4o3)C2=O)c1C 9753777 PGAIUZBKHKUODC-MYYSRTQBSA-N 437.496 3.708 0 40 IHAB CCOCc1c(C(=O)OCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)oc2ccccc12 9876214 BKJNDPXHPIORGU-OAHLLOKOSA-N 436.464 3.890 0 40 IHAB O=C1CCCc2nc(N3CCN(c4ncccn4)CC3)nc(Nc3ccc(Cl)cc3)c21 9937650 QWUADXJFUHIWLM-UHFFFAOYSA-N 435.919 3.509 0 40 IHAB Cc1nnc(SCC(=O)Nc2cc(Cl)ccc2-n2cncn2)n1-c1ccccc1 10035156 IYWXJKAKIUFLQB-UHFFFAOYSA-N 425.905 3.541 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H](C(F)(F)F)C3)CC2)cc1C 10286017 QRFPVHRIVACNMM-KRWDZBQOSA-N 432.508 3.505 0 40 IHAB O=C(NC1CCCCC1)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 10692994 UCLXLMOZZCVYAS-UHFFFAOYSA-N 433.401 3.984 0 40 IHAB C[C@H](NC(=O)c1ccccc1NC(=O)CSc1ncnc2c1cnn2C)c1ccccc1 11680637 OBPISKSJOTZKJN-HNNXBMFYSA-N 446.536 3.585 0 40 IHAB Cc1ccc(-c2cc(C(=O)N(Cc3ccccc3)[C@@H]3CCS(=O)(=O)C3)no2)cc1F 11917064 MTCQSUAYAMMYKI-GOSISDBHSA-N 428.485 3.619 0 40 IHAB CCOc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1S(=O)(=O)N(C)C 12691180 NXXIPSAACSZUBT-UHFFFAOYSA-N 449.916 3.896 0 40 IHAB CC(C)[C@H](NC(=O)CSc1nnnn1C1CCCCC1)c1ccc2c(c1)OCCCO2 12761019 DCDRYRJQAYDJLJ-NRFANRHFSA-N 445.589 3.945 0 40 IHAB Cc1cc(Br)ccc1NC(=O)CN(C)[C@H](C)c1ccc(-n2cncn2)cc1 12873952 WURSGQACBNBUGC-OAHLLOKOSA-N 428.334 3.970 0 40 IHAB Cc1ccc(OCCNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)c(C)c1 12987193 GBKDVXNMNKAZQJ-UHFFFAOYSA-N 436.961 3.550 0 40 IHAB COc1cccc(OC)c1C(=O)NCCNc1nc(C)nc2sc3c(c12)CCCC3 13502670 QSBNWNLJANDERL-UHFFFAOYSA-N 426.542 3.738 0 40 IHAB O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2sccc21)Nc1cccc(C(F)(F)F)c1 13533067 KAZDNAZUUUGCQU-UHFFFAOYSA-N 449.410 3.524 0 40 IHAB CC(C)C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NC1CCCC1 13556540 UINNDYXPCUPFCV-YCRNBWNJSA-N 443.613 3.625 0 40 IHAB Cc1ccc(-n2c(SCC(=O)N3CCc4sccc4C3)nnc2N2CCCC2)cc1 14306532 CHDZJMIRFAINGR-UHFFFAOYSA-N 439.610 3.914 0 40 IHAB O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1ccccc1Br 14804433 ZEKWRWFSNJTASN-UHFFFAOYSA-N 443.388 3.615 0 40 IHAB COc1cccc(CNC(=O)C[C@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2)c1 15391026 OTBGWWCXTQSNMF-GOSISDBHSA-N 436.961 3.598 0 40 IHAB CC1CCN(S(=O)(=O)c2ccc(NC(=O)c3cncc(Br)c3)cc2)CC1 15915476 CHKGLNQPVQIUNT-UHFFFAOYSA-N 438.347 3.517 0 40 IHAB COc1ccc(OC)c(NC(=O)[C@@H]2C[C@@H]3CCCN3[C@@]23C(=O)Nc2c(Cl)cccc23)c1 15972109 FDSIIYLSNZHBJC-AXBCGAQBSA-N 441.915 3.628 0 40 IHAB Cc1ccccc1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)C1CCCC1)CC2 19236778 ZRKHXZVROKUDRR-JOCHJYFZSA-N 448.567 3.521 0 40 IHAB CC(C)n1cc(C(=O)N2CCC(n3cnc4sc5c(c4c3=O)CC[C@H](C)C5)CC2)cn1 19497210 VYWYQECBVSZTPT-HNNXBMFYSA-N 439.585 3.838 0 40 IHAB CCCN1CCN(Cc2nccn2CC)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O 19503289 VGXXWKKDOSKYHU-HSZRJFAPSA-N 431.584 3.878 0 40 IHAB Cc1c(C)n(C2CCCC2)c2ncnc(OC3CCN(CC(=O)N4CCCC4)CC3)c12 19554574 VKEOEBQLMCNJHP-UHFFFAOYSA-N 425.577 3.629 0 40 IHAB COc1ccc2c(c1)OC1(CCN(C(=O)c3ccc4nc(C)c(C)nc4c3)CC1)CC2=O 19555650 BPVDMHYFOZQXCJ-UHFFFAOYSA-N 431.492 3.895 0 40 IHAB COc1c(CN2CCC[C@@](Cc3ccc(-c4ccccc4)cc3)(C(N)=O)C2)c(C)nn1C 19577949 WONMOBFJAGAMQU-SANMLTNESA-N 432.568 3.714 0 40 IHAB CCOc1ccccc1Cc1ccc([C@H]2CN(Cc3cnc(N(C)C)nc3)CCO2)nc1 19692348 WMJVCDPFDWEJSU-XMMPIXPASA-N 433.556 3.501 0 40 IHAB CCNC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)c2cccnc2)CC1 19700329 SMDNFMNQAADQNZ-UHFFFAOYSA-N 428.536 3.745 0 40 IHAB CCOc1ccccc1NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1 19935339 FPGXZMJAIDBZTD-UHFFFAOYSA-N 438.933 3.541 0 40 IHAB Cc1ccc([C@@H](C)NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)c(C)c1 20106532 PGFMRTUHHWCAKC-OAHLLOKOSA-N 439.375 3.709 0 40 IHAB Cc1ccc(SCCNC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)cc1 20237347 GDDUWJLAYCONTQ-UHFFFAOYSA-N 426.991 3.631 0 40 IHAB Cc1c(C)c2ccc(OCC(=O)Nc3ccc(CN4CCOCC4)cc3)c(C)c2oc1=O 20589251 KQVYHFXBNAMWLQ-UHFFFAOYSA-N 436.508 3.568 0 40 IHAB Cc1cc2nc(CSc3nnc(NC(=O)c4ccccc4Cl)s3)cc(=O)n2o1 20984491 JTNRDQAQVVWSGI-UHFFFAOYSA-N 433.902 3.645 0 40 IHAB O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCCC3)N1CCN(C2CCCCC2)CC1 21882522 AJUWKLFIELPQTP-UHFFFAOYSA-N 442.629 3.663 0 40 IHAB COc1ccc(N(Cc2cccs2)S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1 26543022 QFLBAPORBQVSAI-UHFFFAOYSA-N 430.507 3.597 0 40 IHAB CC(C)c1ccc(-n2cnnc2SCC(=O)N2CCN(C)C[C@H]2c2ccccc2)cc1 26938015 OGACQQIWISJERA-QFIPXVFZSA-N 435.597 3.998 0 40 IHAB O=C(Nc1ccccc1OC(F)(F)F)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 27824868 QSCJMTRIVPBOTO-UHFFFAOYSA-N 434.823 3.932 0 40 IHAB CNC(=O)c1nn(-c2ccc(Br)cc2)c2c1Cc1cc(OC)c(OC)cc1-2 32103451 GDGAFKOCTHSBRD-UHFFFAOYSA-N 428.286 3.583 0 40 IHAB O=C(Nc1ccc(-n2cnc3ccccc32)cc1)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 32796862 SQENXMXIRBWEPX-INIZCTEOSA-N 440.459 3.746 0 40 IHAB Cc1nc(NC(=O)CSc2nnc([C@@H](C)N(C)C)n2-c2ccc(F)cc2)sc1C 32878903 NNSQEULOXHLVPF-GFCCVEGCSA-N 434.566 3.833 0 40 IHAB CC(C)OC(=O)c1c(NC(=O)Cn2c(=O)cnc3ccccc32)sc2c1CC[C@H](C)C2 32910132 OLHPKOPVSRIUMA-AWEZNQCLSA-N 439.537 3.787 0 40 IHAB CCCN(CC(=O)Nc1ccccc1OC)C(=O)CCC(=O)c1ccc(OCC)cc1 32964095 OUJPCXVVXFKJQU-UHFFFAOYSA-N 426.513 3.934 0 40 IHAB C[C@@H](NC(=O)c1ccccc1F)c1nnc(SCC(=O)Nc2ccccc2Cl)n1C 33367220 KOASBSNSDBPNFN-GFCCVEGCSA-N 447.923 3.829 0 40 IHAB CCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3cc(OC)ccc3OC)c2c1=O 48989473 HGZAQZBOLVMWNS-UHFFFAOYSA-N 432.480 3.541 0 40 IHAB COc1ccc([C@H]2[C@@H](C(=O)OCc3ccccc3)C(=O)N=C3Nc4ccccc4N32)cc1 54175975 KDZDYQANPKXOJI-YADHBBJMSA-N 427.460 3.924 0 40 IHAB COc1ccc(-c2cc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)n[nH]2)c(OC)c1 57477170 OGWRLQMJPSJHDQ-UHFFFAOYSA-N 426.904 3.710 0 40 IHAB Cc1ccc(NC(=O)Cn2c(=O)n(CCc3cccs3)c(=O)c3sccc32)c(C)c1 57493897 DUJVOPXZPAGUAV-UHFFFAOYSA-N 439.562 3.784 0 40 IHAB Cc1cc(-n2c(=O)c3sccc3n(CC(=O)N3CCCc4ccccc43)c2=O)ccc1F 57494259 OKXMTLQIJKVNGR-UHFFFAOYSA-N 449.507 3.641 0 40 IHAB CCOc1ccc(CC(=O)N[C@H](Cn2nc(-c3cccs3)ccc2=O)C(C)C)cc1 57730961 PJTBLIMVIMOAMA-HXUWFJFHSA-N 425.554 3.754 0 40 IHAB COc1ccc(NC(=O)c2ccc(S(=O)(=O)c3ccc(C)c(C)c3)nc2)cc1OC 62006677 OFKYUHPUTSNQIB-UHFFFAOYSA-N 426.494 3.801 0 40 IHAB CC(C)(NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)c1ccc2c(c1)OCO2 65521955 PAQARWWHPCUDPU-UHFFFAOYSA-N 430.451 3.597 0 40 IHAB Cc1cc2nc(SCC(=O)Nc3ccc(N(C)C)cc3)n(-c3ccccc3)c(=O)c2[nH]1 67236615 MWPDKRYPYJFRCP-UHFFFAOYSA-N 433.537 3.819 0 40 IHAB CCN1CC[C@@]2(CCC1=O)C[C@H](NC(=O)C1=Cc3ccccc3OC1)c1ccccc1O2 72327847 PKZQEUFSZSPRBW-LVXARBLLSA-N 432.520 3.874 0 40 IHAB COc1cc(/C=C/C(=O)N2CC(Oc3nc4ccccc4s3)C2)cc(OC)c1OC 90594016 MDIJRZJKMWRJGU-CMDGGOBGSA-N 426.494 3.625 0 40 IHAB 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CNc1cc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(CN(C)C(=O)C2CCCCC2)n1 19700974 QBMDVKSKZQFHBC-KRWDZBQOSA-N 439.535 3.717 0 40 IHAB CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 20567835 ZTONBZKMXFSGFL-UHFFFAOYSA-N 435.855 3.610 0 40 IHAB COc1ccc(NC(=O)C2CCN(c3ccc4nnc(C(C)C)n4n3)CC2)cc1Cl 20735421 DBSGSQJTNUJAQB-UHFFFAOYSA-N 428.924 3.765 0 40 IHAB COc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3cc(C)no3)n2C[C@@H]2CCCO2)cc1 21906434 XDYLONCCBVTRCS-PBHICJAKSA-N 443.529 3.548 0 40 IHAB CC(C)(C)OC(=O)N1CCN(c2nc(-c3cc(F)ccc3F)c(C(=O)O)s2)CC1 21986871 NFPYTSNKQMGLLA-UHFFFAOYSA-N 425.457 3.844 0 40 IHAB Cc1cc(N2CCN(Cc3nc(N)c4c5c(sc4n3)CCCC5)CC2)nc(C(C)C)n1 22011731 AUEVCONURIAYEP-UHFFFAOYSA-N 437.617 3.696 0 40 IHAB CS(=O)(=O)N(Cc1ccccc1)c1ccc(OCC(=O)Nc2c(F)cccc2F)cc1 22231133 VEODZTIPMYYWNL-UHFFFAOYSA-N 446.475 3.949 0 40 IHAB Cc1cc(N2CCN(C(=O)Cc3nc(-c4cccs4)oc3C)CC2)nc(C(C)C)n1 24488039 QFYIWDOWNMNXTL-UHFFFAOYSA-N 425.558 3.825 0 40 IHAB CCOC(=O)c1cccc(OC[C@H](O)CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1 25230064 KOERXQFXIBCHEW-IFMALSPDSA-N 441.524 3.601 0 40 IHAB O=C(NCCSC1CCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 25248951 DPLGMKIEMJFBIT-HNNXBMFYSA-N 431.023 3.533 0 40 IHAB CN(C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1CCCc2ccccc21 25318892 NJTGQGCBNQOGPZ-HSZRJFAPSA-N 426.582 3.940 0 40 IHAB CCOC(=O)N1CCC(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)CC1 26790350 DSAVWWVCVGJGJF-UHFFFAOYSA-N 435.322 3.501 0 40 IHAB CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc(OCc2cccnc2)cc1 29982867 SKJUAKHKQQEYTC-UHFFFAOYSA-N 429.398 3.789 0 40 IHAB COCCn1c(SCC(=O)N(CC(F)(F)F)[C@@H](C)C2CC2)nnc1-c1ccccc1 32721562 VHVVZHXNGWLMGB-AWEZNQCLSA-N 442.507 3.873 0 40 IHAB CCCn1c(CN2CCc3sccc3[C@@H]2C)nc2cc(S(=O)(=O)N(C)C)ccc21 32764763 QDNKOTDMAHBVRM-HNNXBMFYSA-N 432.615 3.877 0 40 IHAB COC(=O)c1c(C)[nH]c(C(=O)Nc2ccccc2NS(=O)(=O)c2cccs2)c1C 32814722 NYOOXTICPVNNJN-UHFFFAOYSA-N 433.511 3.533 0 40 IHAB CCN(C(=O)[C@@H](C)Sc1ncc(-c2ccc(Cl)cc2)o1)[C@@H]1CCS(=O)(=O)C1 32872096 LJZWADBCRRKDND-IUODEOHRSA-N 428.963 3.511 0 40 IHAB Nn1c(SCc2cc(=O)n3c(n2)sc2ccccc23)nnc1-c1ccccc1Cl 32910413 CNIFVLMRVHYFRA-UHFFFAOYSA-N 440.941 3.827 0 40 IHAB CN(c1ccc(OC(=O)C[C@@H]2OC(=O)c3ccccc32)cc1)S(=O)(=O)c1ccccc1 32991093 BWMGWIGWYNEPNE-NRFANRHFSA-N 437.473 3.719 0 40 IHAB O=C(NCc1ccc2c(c1)OCO2)c1ccccc1NC(=O)c1cc2ccccc2oc1=O 32996052 ZPJVQRRBHICFPR-UHFFFAOYSA-N 442.427 3.704 0 40 IHAB CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 33040278 OVKUMFSBRGBRNM-MSOLQXFVSA-N 447.576 3.673 0 40 IHAB CN(Cc1ccccc1)C(=O)CSc1nnc2c3cc(-c4ccccc4)nn3ccn12 38487171 YHSPSLVLRKOPNO-UHFFFAOYSA-N 428.521 3.795 0 40 IHAB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)c1ccc(-n2cnnn2)cc1 40040446 QATATKLZXVGRHH-KRWDZBQOSA-N 426.480 3.748 0 40 IHAB Cc1ccc(-c2ccc(=O)n(CCC(=O)NCc3cccc(Br)c3)n2)cc1C 41254974 XZGRHYYPVOPBLB-UHFFFAOYSA-N 440.341 3.996 0 40 IHAB CNC(=O)c1c(NC(=O)c2cc(-c3ccc(OC)c(OC)c3)on2)sc2c1CCCC2 46086916 SFRYKDGDZPXDFR-UHFFFAOYSA-N 441.509 3.911 0 40 IHAB Cc1ccc(-c2nc(CN3CCN([C@@H](C)C(=O)Nc4cccc(F)c4)CC3)cs2)o1 48290970 YBOCJVLMDZAMSO-INIZCTEOSA-N 428.533 3.995 0 40 IHAB Brc1cccc(-c2nnc(Cc3nc(-c4ccc5c(c4)OCO5)no3)o2)c1 49405290 CYXOAMOEVAKNLP-UHFFFAOYSA-N 427.214 3.869 0 40 IHAB O=c1[nH]c(CNc2ccc(Br)cc2)nn1Cc1cccc(OC(F)(F)F)c1 61720361 LMSADXPYCMBFDR-UHFFFAOYSA-N 443.223 3.893 0 40 IHAB C[C@H](Cn1nc(-c2ccco2)ccc1=O)C(=O)NCCc1csc(-c2ccccc2)n1 61984075 NRHHGCHOSAJJBK-MRXNPFEDSA-N 434.521 3.622 0 40 IHAB CCOc1ccc(NC(=O)Cn2ncn3nc(-c4cccc5ccccc45)cc3c2=O)cc1 67208332 UUWOYPZHZWKOOK-UHFFFAOYSA-N 439.475 3.749 0 40 IHAB COc1ccc(C(=O)N(C)Cc2ccccc2F)cc1S(=O)(=O)N1CCCCCC1 68976696 DJFBQDBDXUTDIQ-UHFFFAOYSA-N 434.533 3.671 0 40 IHAB COc1ccc(NC(=O)Cn2nnc(C(=O)Nc3cc(F)ccc3C)c2C)cc1Cl 71327230 LBMFYJVLPGCZHP-UHFFFAOYSA-N 431.855 3.587 0 40 IHAB O=S(=O)(c1cccc(F)c1)N1CCC2(CC1)C[C@@H]2c1nnc(-c2cccc(F)c2)o1 71890423 HGOPRPKZXLAZSK-GOSISDBHSA-N 431.464 3.973 0 40 IHAB COc1ccc(CCNC(=O)CSc2ncnc3c2[nH]c2ccc(C)cc23)cc1OC 72331943 AEUZBXHJACCTJA-UHFFFAOYSA-N 436.537 3.888 0 40 IHAB CCCOc1ccc(CC(=O)N2CCNC(=O)[C@@H]2Cc2ccccc2-c2ccncc2)cc1 72351507 IVSVXTIZWOUXRP-VWLOTQADSA-N 443.547 3.650 0 40 IHAB Cc1nn([C@]2(C)CCS(=O)(=O)C2)c(C)c1/C=C1\SC(=O)N=C1Nc1ccc(F)cc1 72401912 GKTNRZBMKHIMDE-PLMLNFJUSA-N 448.545 3.891 0 40 IHAB CS(=O)(=O)c1cccc(C(=O)Nc2cc(-c3cc(F)cc(Br)c3)[nH]n2)c1 95393758 ZAVIJTANMDZXTO-UHFFFAOYSA-N 438.278 3.634 0 40 IHAB O=C1C[C@@H](N2CCc3[nH]c4ccc(OC(F)(F)F)cc4c3C2)C(=O)N1c1ccccc1 101533311 CXUAQPHPPUQQJQ-LJQANCHMSA-N 429.398 3.757 0 40 IHAB CC[C@@H](NC(=O)[C@H](C)N(c1ccc(OC)c(OC)c1)S(C)(=O)=O)c1ccc(C)cc1C 220242911 WCVUOJRMBONLCU-FXAWDEMLSA-N 448.585 3.743 0 40 IHAB COc1ccc([C@@H](C)NC(=O)c2cn3c4c(cc(Br)cc4c2=O)CC3)cc1 223102707 DKJKXEANUIWXAQ-GFCCVEGCSA-N 427.298 3.820 0 40 IHAB CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H]3CC(C)(C)Oc4ccc(C)cc43)ccc21 223140383 GVQQXGAPDMRFJE-IBGZPJMESA-N 428.554 3.875 0 40 IHAB CC[C@H](C(=O)NCCOc1cc(C)cc(C)c1)N(c1cc(C)ccc1C)S(C)(=O)=O 224101337 CQGHDEGAUGAPDO-OAQYLSRUSA-N 432.586 3.660 0 40 IHAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)C1 224111226 NJDWTRFQGWVDBM-WOJBJXKFSA-N 443.613 3.610 0 40 IHAB CCc1ccc(OCC(=O)NCc2ccc(CN3CCOCC3)cc2)c(Br)c1 224566639 KIDAAXWUSITJKY-UHFFFAOYSA-N 447.373 3.539 0 40 IHAB CCc1ccc(OCCNC(=O)CCCN(c2ccc(C)cc2C)S(C)(=O)=O)cc1 224647282 SKKGREIVANGAJW-UHFFFAOYSA-N 432.586 3.607 0 40 IHAB CC(C)Oc1cccc(N(CC(=O)Nc2ccc(OC(F)(F)F)cc2)S(C)(=O)=O)c1 224887648 GZXYVMKWCLRPDS-UHFFFAOYSA-N 446.447 3.777 0 40 IHAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCc2cccc3ccccc23)cc1Cl 226061515 WWUYUNQDBGMWEY-UHFFFAOYSA-N 446.956 3.829 0 40 IHAB CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CCN(CC(=O)Nc4ccccc4C(=O)O)[C@H]3C[C@H]21 257212987 CFRZWKGOPJEDRF-DYJCROTPSA-N 436.508 3.715 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)c3ccc(C)c(C)c3)C2)cc1 260749170 TYZQCOBFYRPYSD-IBGZPJMESA-N 430.570 3.766 0 40 IHAB CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1 408602715 IVPKVIGAEKKMEI-INIZCTEOSA-N 426.494 3.793 0 40 IHAB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1)Nc1ccc(Cl)cc1 408654290 GDPPVCSIDNRHLV-OALUTQOASA-N 440.883 3.815 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2cccc(C)c2)cc1 408661274 FMKOHZJCWXDJDT-UHFFFAOYSA-N 440.496 3.853 0 40 IHAB COc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(C)c(Cl)c2)c(OC)c1 408665078 SYOHKGAKWYVNCF-UHFFFAOYSA-N 434.876 3.566 0 40 IHAB COc1ccc(C(=O)/N=c2\sccn2CC(=O)c2ccccc2)cc1Br 409193464 DFXXTKWFOAEWOM-VZCXRCSSSA-N 431.311 3.945 0 40 IHAB CCOc1cc([C@@H]2CC(=O)N=C3N=CNN32)ccc1OCc1ccc(Br)cc1 409377895 MBNPLTNOKHAOSZ-INIZCTEOSA-N 443.301 3.603 0 40 IHAB C[C@@]1(O)CCN(Cc2nccs2)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccc(F)cc1 514288727 BCKIAMNOQLYCTJ-IRFCIJBXSA-N 431.558 3.840 0 40 IHAB biogenic,in-vitro Cc1ccc(OCC2(O)CCN(Cc3ccc(OCCn4cc(C)cn4)cc3)CC2)cc1 585273026 MSAALKCBZLQBHP-UHFFFAOYSA-N 435.568 3.985 0 40 IHAB COc1cccc(-c2cc(C(=O)N3Cc4ccccc4[C@@H](c4cnn(C)c4)C3)n(C)n2)c1 585410214 XQEPPFMIWLXVAK-JOCHJYFZSA-N 427.508 3.617 0 40 IHAB CC(C)(NC(=O)c1cccc(F)c1)C(=O)N1CCOC[C@@H](Cc2cncc3ccccc23)C1 1848352783 DALSEPBDEZAWMQ-SFHVURJKSA-N 449.526 3.600 0 40 IHAB O=C1COC2(CCN(Cc3cnc(-c4ccccc4)nc3)CC2)CN1c1cccc(F)c1 2037988699 FHVDULSZKCYJBH-UHFFFAOYSA-N 432.499 3.681 0 40 IHAB CC(=O)N1[C@H](c2ccc(Cl)cc2)SC[C@H]1C(=O)N1CCN(c2ccccc2)CC1 821705 LXSHMVZWNQKNGG-UNMCSNQZSA-N 429.973 3.651 0 40 IHAB C[C@@](O)(CS(=O)(=O)Cc1ccccc1Cl)C(=O)Nc1ccc(C(F)(F)F)cc1 1391976 UBUNVIARSXBIGL-QGZVFWFLSA-N 435.851 3.663 0 40 IHAB CCOC(=O)[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(Cl)ccc2O1 1399690 BPIGSEKFWFYUKC-MRXNPFEDSA-N 449.834 3.878 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)c2c(N)n(C[C@@H]3CCCO3)c3nc4ccccc4nc23)c1 2415684 JFHYOTANLREDCT-INIZCTEOSA-N 436.537 3.795 0 40 IHAB CC1(C)C(=O)N(Cc2ccccc2)C(=O)[C@@H]2C(=O)Oc3ccc(Br)cc3[C@@H]21 2504232 UDNNMKZSAGOAPF-SJORKVTESA-N 428.282 3.663 0 40 IHAB Nn1c(SCC(=O)N[C@H]2CCCc3ccccc32)nnc1-c1ccc(OC(F)F)cc1 3315426 PJVNERFJRXWUKN-KRWDZBQOSA-N 445.495 3.546 0 40 IHAB Cc1cc(C(=O)CN2C(=O)N[C@]3(CCc4ccccc4C3)C2=O)c(C)n1Cc1cccs1 3342116 LNPARMFAKAUOQY-VWLOTQADSA-N 447.560 3.877 0 40 IHAB COc1ccccc1NC(=O)Cc1noc(COC(=O)c2ccc(C(F)(F)F)cc2)n1 3393756 JMWULKFYRCMIBH-UHFFFAOYSA-N 435.358 3.635 0 40 IHAB CCc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2CCOC)CCC4)cc1 6843738 TWKSLPGHWUGAQR-UHFFFAOYSA-N 443.594 3.886 0 40 IHAB Cc1cccc(C)c1O[C@@H](C)C(=O)NC[C@H](C)NC(=O)[C@@H](C)Oc1c(C)cccc1C 8163788 GZYXHVUWYJISGZ-PCCBWWKXSA-N 426.557 3.776 0 40 IHAB O=C(C[C@@H]1C(=O)NCCN1C(=S)Nc1ccccc1)Nc1cccc(Cl)c1Cl 9190058 JBKQQOICJNSXAP-OAHLLOKOSA-N 437.352 3.519 0 40 IHAB COc1ccc([C@@H]2Nn3c(nnc3-c3ccccc3)S[C@H]2C(=O)NCc2ccco2)cc1 9238862 ABUSZXOLQFQYOF-VQTJNVASSA-N 447.520 3.622 0 40 IHAB CCCc1nnc2n1N[C@@H](c1ccc(F)cc1)[C@@H](C(=O)Nc1cccc(OC)c1)S2 9239228 LKDRSZWOVUMVKH-OALUTQOASA-N 427.505 3.776 0 40 IHAB COc1ccc(NC(=O)CCC(=O)c2ccc(I)cc2)c(OC)c1 9257728 YOWRGLWBWROPAJ-UHFFFAOYSA-N 439.249 3.910 0 40 IHAB COCCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1c[nH]c2ccccc12 9382318 LLDVIBDWQAQMTK-UHFFFAOYSA-N 425.489 3.943 0 40 IHAB Cc1cc(C)cc(NC(=O)CNC(=O)[C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)c1 9449501 ZHPDYHIQOASDKE-NRFANRHFSA-N 437.540 3.720 0 40 IHAB Cc1cc(Br)ccc1NC(=O)CSc1nnc(-c2ccc(F)cc2)n1N 9459701 KYUDBLRGLOFQNZ-UHFFFAOYSA-N 436.310 3.600 0 40 IHAB COc1ccc(Cl)cc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2cc(C)cc(C)c2)C1 9525886 NZDGLIQYAZTUAC-HNNXBMFYSA-N 430.888 3.500 0 40 IHAB CCCn1c(SCC(=O)c2cc(C)n(C3CC3)c2C)nc2cc(S(N)(=O)=O)ccc21 9672257 DGYMOYLFBVWLSN-UHFFFAOYSA-N 446.598 3.822 0 40 IHAB O=c1c(Cl)c(N2CCN(CCCOc3ccc(F)cc3)CC2)cnn1-c1ccccc1 9728661 SIFABCMZVVWERB-UHFFFAOYSA-N 442.922 3.616 0 40 IHAB Cc1cc(F)ccc1S(=O)(=O)N1CCCC[C@H]1CCNC(=O)NC1CCCCC1 9749779 APVWULVEZMNDID-IBGZPJMESA-N 425.570 3.699 0 40 IHAB CC1CCN(c2ccc(NC(=O)CN3CCC(C(=O)N4CCCCCC4)CC3)cc2)CC1 9945360 RDMYWKLOTDELJV-UHFFFAOYSA-N 440.632 3.976 0 40 IHAB COc1ccc(CNC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(F)cc2)cc1 9981772 FPXUPDSKCVVQTI-UHFFFAOYSA-N 449.511 3.886 0 40 IHAB CCOc1cccc(NC(=O)[C@H](C)N(c2cc(Cl)ccc2OC)S(C)(=O)=O)c1 10294879 DGCLCMOIUFSHGW-ZDUSSCGKSA-N 426.922 3.541 0 40 IHAB COC(=O)c1cc(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)cc(C(=O)OC)c1 11379854 WSXIMXUWHQGMQC-UHFFFAOYSA-N 426.400 3.625 0 40 IHAB COc1cc(CCC(=O)N2CCC(c3nc4ccccc4cc3C(N)=O)CC2)ccc1C 12254746 IBASFMWFQDCVFK-UHFFFAOYSA-N 431.536 3.990 0 40 IHAB CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CCC[C@@H](C)C3)cc2c1 12466169 IIIOSNOZMSVTDP-OPAMFIHVSA-N 436.560 3.850 0 40 IHAB C[C@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 12525321 RAZRSFIAJYYWCD-HNNXBMFYSA-N 444.582 3.857 0 40 IHAB C[C@H](NC(=O)Cc1csc2nc(-c3ccccc3)cn12)c1ccc(S(C)(=O)=O)cc1 12559694 IHTPQBSMQHXNHA-HNNXBMFYSA-N 439.562 3.886 0 40 IHAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCCC[C@@H]1c1nc3ccccc3s1)C2=O 12680755 XROQYLQZQPBBHA-YAEBDLLGSA-N 440.569 3.851 0 40 IHAB O=C(Nc1ccc2c(c1)OC(F)(F)O2)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1 12752293 SXDJFONDFHXPCQ-INIZCTEOSA-N 426.375 3.807 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)Nc2cc(OC)c(OC)cc2C)cc1 12758156 IYKOIQSKSYKIQA-JLHYYAGUSA-N 432.542 3.695 0 40 IHAB O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 12758236 FQCZODNVASUWRO-UHFFFAOYSA-N 448.903 3.886 0 40 IHAB COc1ccc([C@@H]2CC(=O)N(c3cccc(Br)c3)C3=C2C(=O)OC3)cc1OC 13567547 JDAVCWDDKWZBJD-HNNXBMFYSA-N 444.281 3.798 0 40 IHAB O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1Cc1cc(Cl)c2c(c1)OCCCO2 14141196 WCSPYUHOGLXBDO-GOSISDBHSA-N 425.872 3.646 0 40 IHAB CC(=O)Nc1cccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)c1 14474769 FWANCWICXKDJDS-UHFFFAOYSA-N 443.569 3.610 0 40 IHAB O=C(OCc1cc(-c2ccc(F)cc2F)on1)c1ccc(S(=O)(=O)N2CCCC2)cc1 17155676 BPQYWYWWQFXNOS-UHFFFAOYSA-N 448.447 3.761 0 40 IHAB Cc1ccccc1N1C(=O)c2ccc(C(=O)OCC(=O)N3[C@@H](C)CCC[C@H]3C)cc2C1=O 17836954 OQJHUWATHGEELM-CALCHBBNSA-N 434.492 3.742 0 40 IHAB CCOc1ccc(NC(=O)C2(c3cccc(F)c3)CCCC2)cc1S(=O)(=O)N(C)C 18089556 QWEHQXMUJOFDFM-UHFFFAOYSA-N 434.533 3.925 0 40 IHAB Cc1noc2nc([C@@H]3CCCN(C(=O)c4ccc(C)n(C)c4=O)C3)cc(C(F)(F)F)c12 19131609 DKKIVXFFEIJOOI-CYBMUJFWSA-N 434.418 3.577 0 40 IHAB CC(C)[C@@H](NC(=O)C1CCN(C(=O)c2cccs2)CC1)c1ccc2c(c1)OCCO2 19295813 SLDCQTDLGOSGBU-OAQYLSRUSA-N 428.554 3.885 0 40 IHAB O=C(c1cccs1)N1CCc2nc([C@H]3CCCN(C4CCCCC4)C3)[nH]c(=O)c2C1 19342761 JVRMXYIUNQLARV-INIZCTEOSA-N 426.586 3.542 0 40 IHAB C[C@H]1C[C@H]1C(=O)N1CCC(c2cc3nc4c(c(O)n3n2)CN(C[C@H]2CC=CCC2)CC4)CC1 19462904 HKGCNPDTZSDSCW-CMKODMSKSA-N 449.599 3.511 0 40 IHAB COc1ccc(C(=O)c2cn(CC(=O)N[C@H]3CCOc4ccccc43)c3cnccc23)cc1 19553225 YUHMPUOAVFQTQE-QFIPXVFZSA-N 441.487 3.916 0 40 IHAB COc1cccc(C(=O)N2CCC[C@@H](c3cc(C(=O)Nc4ccc5nc[nH]c5c4)on3)C2)c1 19564406 IWBVRFDQANNXEE-MRXNPFEDSA-N 445.479 3.832 0 40 IHAB CCn1ccnc1CN1CC[C@](Cc2ccc(-c3ccncc3)cc2)(C(=O)NC(C)C)C1 19578059 JIORYCGDWXWEFV-AREMUKBSSA-N 431.584 3.924 0 40 IHAB COc1c(Cl)cc(C(=O)NC(=S)Nc2cc(C)c(O)c(C(=O)O)c2)cc1Cl 20153038 STOOPTFHJASHKI-UHFFFAOYSA-N 429.281 3.841 0 40 IHAB COc1cccc(NC(=O)[C@@H](NCC(C)(C)N2C[C@H](C)O[C@H](C)C2)c2ccccc2)c1 22735033 YKDJXAVLKTUHBD-YYDVJCTNSA-N 425.573 3.852 0 40 IHAB COC(=O)c1ccc(CSc2nnc(N3CCN(c4ccccc4)CC3)s2)cc1 23140154 HOQUGNRAVGSYBI-UHFFFAOYSA-N 426.567 3.944 0 40 IHAB CCCCOCCCNC(=O)/C(=C\c1cccc(Br)c1)n1ccccc1=O 23157155 PMFWCGUSLLWJDA-KNTRCKAVSA-N 433.346 3.932 0 40 IHAB Cc1sc2ncn(CCC(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)c(=O)c2c1C 25846610 CPIQFUNYFALTMB-UHFFFAOYSA-N 435.553 3.747 0 40 IHAB CCCc1cc(=O)[nH]c(SCC(=O)N2CCc3cc(-c4csc(C)n4)ccc32)n1 30022494 YCQWVGCPRSMZDK-UHFFFAOYSA-N 426.567 3.836 0 40 IHAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NC1CCN(C(=O)c2ccoc2)CC1 30879329 QCTFISAYRNNJME-UHFFFAOYSA-N 427.888 3.942 0 40 IHAB COc1ccc(Br)cc1S(=O)(=O)Nc1cccc(Oc2ncccn2)c1 32091248 CXUZHZYLRCTOAT-UHFFFAOYSA-N 436.287 3.841 0 40 IHAB COc1ccc(C(=O)NC(=S)Nc2cc(NC(=O)c3ccco3)ccc2OC)cc1 32126238 RWBXPSYWDFUNSE-UHFFFAOYSA-N 425.466 3.676 0 40 IHAB COc1ccc([C@@H]2CCCN2C(=O)C2CCN(C(=O)c3cccs3)CC2)cc1OC 32895182 MALZJHPKIYWVJI-SFHVURJKSA-N 428.554 3.981 0 40 IHAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)Cc1nc(-c2cccs2)oc1C 32900048 BVXNYOQCDDOGKM-UHFFFAOYSA-N 441.509 3.512 0 40 IHAB COc1ccc(NC(=O)c2sccc2N(C)S(=O)(=O)c2ccccc2)cc1OC 33141780 YAQKLIAXLHOUHN-UHFFFAOYSA-N 432.523 3.843 0 40 IHAB COC(=O)c1cccc(NC(=O)CSc2nnc(COc3cc(C)ccc3C)n2C)c1 33665388 KRVKCFIEMAOUTI-UHFFFAOYSA-N 440.525 3.528 0 40 IHAB O=C(Nc1ccccn1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2ccccc2c1 40040362 QYPQDJKIGDYPBK-QFIPXVFZSA-N 431.517 3.763 0 40 IHAB O=C(c1ccccc1C(F)(F)F)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCO3)CC1 42382469 MHLPWUCOKUFLRA-IAGOWNOFSA-N 446.425 3.522 0 40 IHAB COc1cc(CNC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc(OC)c1OC 44917447 KZBAXTVNXNDUMV-SFHVURJKSA-N 432.948 3.894 0 40 IHAB Cc1c(C)n(C2CCCCC2)c2ncnc(OC3CCN(CC(=O)NC4CC4)CC3)c12 45187325 MTXBTOQZHNGNHM-UHFFFAOYSA-N 425.577 3.675 0 40 IHAB COc1cccc(N2C(=O)C[C@H](c3ccc(OC)c(OC)c3)c3sc(=O)n(C)c32)c1 49546774 OYEFEZNRSONLPA-MRXNPFEDSA-N 426.494 3.673 0 40 IHAB O=C(CN1C=Nc2ccccc2S1(=O)=O)NCc1ccc(-c2ccc(Cl)cc2)o1 58366907 NQFNAKDXLDPGHS-UHFFFAOYSA-N 429.885 3.581 0 40 IHAB CCOc1ccc(NC(=O)c2cnc(N3CCN(c4cc(C)ccc4C)CC3)nc2N)cc1 65154841 STSCMUQGHBNUHR-UHFFFAOYSA-N 446.555 3.653 0 40 IHAB COc1cc2c(cc1OC)n(CC(=O)c1ccccc1)c(=O)n1nc(-c3ccccc3)nc21 65534793 LUYHGMXBLWZVDA-UHFFFAOYSA-N 440.459 3.611 0 40 IHAB C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccccc1S(=O)(=O)C(F)F 69311799 NNYLDKAOXPXHLP-JTQLQIEISA-N 434.258 3.851 0 40 IHAB CSCC[C@@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)[C@]2(N1)C(=O)Nc1ccc(Cl)cc12 71333835 JOHRRPUZINTVMC-KUDFPVQQSA-N 433.936 3.996 0 40 IHAB O=C(c1cnc2ccc(F)cc2c1NCc1ccc2c(c1)OCO2)N1CCSCC1 72328496 VZCDQDYVEBUCJS-UHFFFAOYSA-N 425.485 3.904 0 40 IHAB COc1ccccc1CC(=O)NCCn1ncc(-c2ccncc2)c1-c1ccc(C)nc1 72389841 CMBTUSQLLDOHHO-UHFFFAOYSA-N 427.508 3.683 0 40 IHAB Cc1ccc(Cn2nc(C)c(/C=C/C(=O)N3CCN(C(=O)C4CCC4)CC3)c2Cl)cc1 78743593 TXRDUEUZCZRBOV-ZHACJKMWSA-N 440.975 3.686 0 40 IHAB CN(C(=O)c1ccc2c(c1)CCO2)[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccc2c(c1)CCO2 89334951 YPXJYXUBNSHYSB-FGZHOGPDSA-N 434.536 3.712 0 40 IHAB C[C@H](CC(=O)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)c1ccccc1 89894527 SIWNXXBISAXXON-MRXNPFEDSA-N 440.487 3.732 0 40 IHAB CC(C)(C)S(=O)(=O)[C@H]1CCN(S(=O)(=O)c2cccc(-c3ccc(Cl)cc3)c2)C1 96103455 YCDPHBJFJDCZNS-IBGZPJMESA-N 442.002 3.983 0 40 IHAB O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1Br)[C@H](c1ccc(Cl)cc1)N1CCCN21 100784968 QJCURQTXLXBLPY-SQNIBIBYSA-N 446.732 3.638 0 40 IHAB C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)[C@H]1C[C@H]2CC[C@H]1C2 105876196 UDSFJVDYHYPINI-SJQULFJYSA-N 430.614 3.517 0 40 IHAB COc1ccc(NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 143656804 QTZSBJMKEUNFPB-UHFFFAOYSA-N 428.485 3.664 0 40 IHAB C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 220430664 MGEAHSFSXNDTLR-JTQLQIEISA-N 431.297 3.515 0 40 IHAB CC[C@H](C(=O)NCc1ccc(OC(C)C)c(OC)c1)N(c1cccc(C)c1)S(C)(=O)=O 220514797 FZLKOIFHNOAABI-HXUWFJFHSA-N 448.585 3.652 0 40 IHAB CC[C@@H](C(=O)NCCCc1ccccc1OC)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220575841 BYLMZGOBSBIVED-NRFANRHFSA-N 432.586 3.606 0 40 IHAB COc1ccc(CN(C(=O)Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC[C@H]2CCCO2)cc1 222997797 WEIFEKBELHWITO-VGOFRKELSA-N 444.959 3.604 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)NCCOc2ccc(F)cc2)cc1 223867434 MOYQAKJFNSVXBU-UHFFFAOYSA-N 442.512 3.768 0 40 IHAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)Nc3ccccc3F)cc2)cc1 224438664 UCUZOVYZFZMLNC-UHFFFAOYSA-N 428.485 3.907 0 40 IHAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)[nH]1 225467941 ITEFHBZAUABDFM-PMACEKPBSA-N 441.582 3.575 0 40 IHAB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc2c(c1)OCCO2 225552874 AIBYEKDHTOOQJS-QGZVFWFLSA-N 444.959 3.986 0 40 IHAB CC1(C)Oc2c(O)cccc2[C@@H]2O[C@@H]3CCN(Cc4ccc(OCC(=O)O)cc4)[C@H]3C[C@H]21 257248750 JFAGALMBWQEYSW-XZYOPWHXSA-N 439.508 3.747 0 40 IHAB Cc1cc(Nc2nc(C)cs2)cc([C@@H]2CCCN(C(=O)CCc3nc(C)no3)C2)n1 257297565 RHVHOSSIXNHKKB-MRXNPFEDSA-N 426.546 3.929 0 40 IHAB Cn1nccc1[C@@H]1CN(C(=O)c2ccccc2F)C[C@]12CCCN(Cc1ccccc1)C2=O 306131246 JZEOBGYXXOXYAU-HFZDXXHNSA-N 446.526 3.608 0 40 IHAB C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1Cl 408584365 OTNFZHDAKPFXCD-KBPBESRZSA-N 429.369 3.798 0 40 IHAB CCS(=O)(=O)N(CC(=O)Nc1cc(Cl)cc(Cl)c1)c1ccc2c(c1)OCCO2 408703341 PTYBBPBTCUECAU-UHFFFAOYSA-N 445.324 3.559 0 40 IHAB COc1cccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)c1O[C@H](C)C(=O)O 409235012 ANBALORDJPPZLB-HJPCULJESA-N 431.441 3.923 0 40 IHAB CCCCn1c(=O)nc(O)c2c1nc(CN[C@H](C)c1ccc(Oc3cccnc3)cc1)n2C 554743545 MLABMYBCRJEBDA-MRXNPFEDSA-N 448.527 3.674 0 40 IHAB CC(C)N1[C@H]2CC[C@@H]1CCNc1ccccc1CN(C(=O)CCn1nnc3ccccc31)C2 643576441 ZOKLNJJAZJJMCB-YADHBBJMSA-N 446.599 3.907 0 40 IHAB Cc1c(S(=O)(=O)N(C)[C@H](c2ccccc2)c2ccccc2Br)cnn1C 1213597504 BDQQZRPOQISLPZ-LJQANCHMSA-N 434.359 3.901 0 40 IHAB COc1c2ccc(C(=O)N3CCC(COc4ccc(C(C)(C)C)nn4)CC3)cc2nn1C 1775965938 LVKCFWSHVUCIKG-UHFFFAOYSA-N 437.544 3.601 0 40 IHAB CC1(C)C(=O)N(Cc2ccccc2)C(=O)[C@@H]2C(=O)Oc3ccc(Br)cc3[C@H]21 2504230 UDNNMKZSAGOAPF-IAGOWNOFSA-N 428.282 3.663 0 40 IHAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN(C)Cc2ccc(Cl)c(Cl)c2)c1 3588247 QHUDGWUDCNTFKM-UHFFFAOYSA-N 439.295 3.637 0 40 IHAB CCOC(=O)C1(c2ccccc2)CCN(CC(=O)Nc2cc(Cl)ccc2OC)CC1 4662413 JBRWSEXKCQVTGY-UHFFFAOYSA-N 430.932 3.884 0 40 IHAB CC(C)(C)NC(=O)[C@@H](c1ccncc1)N(C(=O)c1csnn1)c1cccc(Cl)c1 5944290 PZKVCYUPHATYJS-QGZVFWFLSA-N 429.933 3.889 0 40 IHAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3)cc2)no1 6142775 UTSZWNHJYWXBEE-ZDUSSCGKSA-N 435.889 3.843 0 40 IHAB CC[C@H](CO)NCc1cc(I)c(OCc2ccccc2)c(OC)c1 8437946 WKIMSDPGWMQPSW-MRXNPFEDSA-N 441.309 3.739 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@@H]2CCCC[C@@H]2C)Cc2ccco2)cc1 8696106 UBIHHMDQMJEJLR-LAUBAEHRSA-N 434.558 3.564 0 40 IHAB Cc1cccc(S(=O)(=O)Nc2ccc3c(c2)CN(S(=O)(=O)c2ccccc2)CC3)c1 8840274 NMPQPUJCWGIMMW-UHFFFAOYSA-N 442.562 3.543 0 40 IHAB O=C(COc1ccc(Cl)cc1Cl)N(Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 8917664 LVVBKMZJKPYXBO-MRXNPFEDSA-N 446.327 3.727 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccccc2SCc2cc(=O)n3oc(C)cc3n2)cc1 9228293 CSMGODQRGPRTJJ-UHFFFAOYSA-N 441.534 3.997 0 40 IHAB COc1ccc(-n2nc3c(c2NC(=O)c2cccc(C(F)(F)F)c2)C[S@@](=O)C3)cc1 9413655 FTRLLVOHSUVJGG-PMERELPUSA-N 435.427 3.914 0 40 IHAB COc1ccc(CN(C(=O)COc2ccc(C(C)(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 9463698 NJGHRYATHUBEDF-HXUWFJFHSA-N 445.581 3.587 0 40 IHAB COC(=O)C1=CN(Cc2ccc(Cl)cc2)C=C(C(=O)OC)C1c1ccc(O)c(OC)c1 9497589 ZMXHVMWOPDPLOB-UHFFFAOYSA-N 443.883 3.767 0 40 IHAB CCCCn1c(CSc2nnc(C3CC3)n2C2CC2)nc2cc(S(N)(=O)=O)ccc21 9712296 WQXPBJNMBMZBBC-UHFFFAOYSA-N 446.602 3.580 0 40 IHAB Cc1cccc(OCCCN2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)c1 9754140 JGESNFVVJCNREZ-UHFFFAOYSA-N 438.959 3.785 0 40 IHAB Cc1cc(C)n2c(SCC(=O)N[C@H](c3ccc(F)cc3)c3cccs3)nnc2n1 9875955 HYISWQBLFQWRSV-GOSISDBHSA-N 427.530 3.940 0 40 IHAB O=C(COC(=O)c1c2c(nc3ccccc13)CCCC2)Nc1nnc(C(F)(F)F)s1 10059420 GKHGERYIESDKLL-UHFFFAOYSA-N 436.415 3.779 0 40 IHAB O=C(/N=c1/sccn1Cc1ccccc1Cl)c1cccc(N2CCCS2(=O)=O)c1 10190029 SJAXGOVWGKKWHV-LSDHQDQOSA-N 447.969 3.532 0 40 IHAB Cc1ccc(-n2c(C)c(C)n3c4c(=O)n(CCc5ccccc5)c(=O)n(C)c4nc23)c(C)c1 10271879 ZNORRXAZQHFYRP-UHFFFAOYSA-N 441.535 3.615 0 40 IHAB CNC(=O)NC(=O)[C@@H](C)OC(=O)Cc1csc(-c2cccc(Oc3ccccc3)c2)n1 10418952 OSRPHNIKFOJPKF-CQSZACIVSA-N 439.493 3.532 0 40 IHAB CCCn1c(=O)n(CCC(=O)NCc2c(C)nn(Cc3ccccc3)c2C)c2ccccc21 10905268 BIWIACDFNPABCG-UHFFFAOYSA-N 445.567 3.781 0 40 IHAB COc1cc2cc(N)c(C3CCN(C(=O)c4sc(C)nc4C)CC3)nc2cc1OC 12087953 ZGWJWIQZOOUQHQ-UHFFFAOYSA-N 426.542 3.927 0 40 IHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(Sc2nc(-c3ccncc3)n[nH]2)nc1 12590877 WCLKYQQDNGZCHY-UHFFFAOYSA-N 438.538 3.628 0 40 IHAB Cc1cc(C)c2nc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccccc4)C3)sc2c1 12651060 MARFNPZPDDAXKH-MRXNPFEDSA-N 429.567 3.953 0 40 IHAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N(C)Cc1c(C)nn(-c2ccccc2)c1C 12678275 OEJUIISXQPBCPK-RUZDIDTESA-N 443.551 3.676 0 40 IHAB O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1ccc2c(c1)OCCCO2 12683575 ZHWBXKBQRZXLAZ-UHFFFAOYSA-N 442.471 3.526 0 40 IHAB COC(=O)C[C@@H](NS(=O)(=O)c1cccc(Cl)c1)c1ccc(Br)cc1 12738188 JOTRUTVFLWLPPU-OAHLLOKOSA-N 432.723 3.685 0 40 IHAB COc1ccc(-c2nnc(S)n2CC(=O)NCCCO[C@H](C)c2ccccc2)cc1 12753175 HAABBILDFJZZFM-MRXNPFEDSA-N 426.542 3.527 0 40 IHAB Cc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@@H]2CCS(=O)(=O)C2)cc1C 12757719 WPBHDJRQZNONKL-GOSISDBHSA-N 438.553 3.846 0 40 IHAB Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 13029151 KKPNRFGAHIFCRM-INIZCTEOSA-N 438.505 3.985 0 40 IHAB Cc1ccc(-c2noc(CN3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)n2)cc1 13059681 CGUCDEAHZUBGEI-UHFFFAOYSA-N 440.569 3.675 0 40 IHAB CCn1nc(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)c2ccccc2c1=O 13148674 WZMPUNGRJPXKCC-UHFFFAOYSA-N 434.477 3.563 0 40 IHAB Cc1nn2c(=O)cc(COc3ccc(NC(=O)c4ccccc4Cl)cc3)nc2s1 13367915 ZCAPMUXKHODWIO-UHFFFAOYSA-N 426.885 3.944 0 40 IHAB CC(C)[C@@H](NC(=O)CCS(=O)(=O)c1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 14182315 GEPLUICUOSIISY-OAQYLSRUSA-N 437.945 3.789 0 40 IHAB COC(=O)CCc1c(C)nn(-c2ccc(C(=O)Nc3ccc(OC)cc3OC)cc2)c1C 14255101 GFFLLGZIBOYPTE-UHFFFAOYSA-N 437.496 3.864 0 40 IHAB C[C@@H](OC(=O)c1ccccc1OCc1ccc(F)cc1)C(=O)Nc1sccc1C(N)=O 16053489 VQVJCIKDOIVNTR-CYBMUJFWSA-N 442.468 3.749 0 40 IHAB COc1ccc(OC)c(S(=O)(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c1 16097144 YGJZJFYTYWQHRE-MRXNPFEDSA-N 440.521 3.996 0 40 IHAB COc1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c(OC)c1 16215568 DBNLCEFKXDEOSJ-UHFFFAOYSA-N 442.493 3.522 0 40 IHAB Clc1cccc(N2CCN(/C=C/c3nnnn3-c3ccc(Br)cc3)CC2)c1 16398908 XRVWNHRZWJGLGD-CMDGGOBGSA-N 445.752 3.871 0 40 IHAB COC(=O)C1=C(C)N(c2ccc3c(c2)OCO3)C(=O)N[C@H]1c1cccc(Br)c1 16517522 MKESSQVZDXRXOR-SFHVURJKSA-N 445.269 3.896 0 40 IHAB CCOc1ccc(CN(C(=O)c2ccc(OC(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 16742131 IARSIGCNZQEYRO-FQEVSTJZSA-N 431.554 3.702 0 40 IHAB Cc1nc2c(c(=O)[nH]1)C[C@@H]1CC[C@H](C2)N1C(=O)C[C@@]1(Cc2ccccc2)CCOC(C)(C)C1 19286308 AIFNHELYYMAJTM-ISCCLHIJSA-N 449.595 3.745 0 40 IHAB COc1cccc(CC(=O)NC2CCN(c3ncc(-c4ccncc4)c(C(C)C)n3)CC2)c1 19451629 LSCVAEPLFVQSNF-UHFFFAOYSA-N 445.567 3.998 0 40 IHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N1C[C@@H](c2cccc(F)c2)[C@@]2(CCCC(=O)N2)C1 19499462 PZUSWHJVOKRMNN-SGIRGMQISA-N 440.515 3.657 0 40 IHAB CCNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)Cc2cccnc2)C1 19528554 CPMAMZCTDFERHN-HHHXNRCGSA-N 442.563 3.674 0 40 IHAB COc1ccc(-c2noc([C@@H]3CN(C(=O)CCOc4ccc(Cl)cc4)CCO3)n2)cc1 19558482 DVCMLOMATASFQO-IBGZPJMESA-N 443.887 3.768 0 40 IHAB COCc1ccc(C(=O)N2CCC(c3nc(NC4CC4)ncc3-c3ccncc3)CC2)o1 19594465 JSZGRTKCIGDLQV-UHFFFAOYSA-N 433.512 3.872 0 40 IHAB O=C([C@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1)N1CCN(c2ccccc2F)CC1 22480835 ORZMFQJLTGRLCO-NRFANRHFSA-N 445.542 3.848 0 40 IHAB CN(C)[C@@H](CNc1nc(CN2CCOCC2)nc2sc3c(c12)CCC3)c1cccs1 23744774 VSYDNBVKNTYLMU-INIZCTEOSA-N 443.642 3.789 0 40 IHAB Cc1csc2nc(CN(Cc3ccc(C(=O)NC4CC4)cc3)Cc3ccco3)cc(=O)n12 26926690 MAAPZWJXIJCYTF-UHFFFAOYSA-N 448.548 3.752 0 40 IHAB CCN1CCN(c2ccc(NC(=S)NC(=O)c3ccc(OC)c(Cl)c3)cc2)CC1 32125413 PXOWCVOICDUBIW-UHFFFAOYSA-N 432.977 3.617 0 40 IHAB CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N(C)C[C@H]1COc2ccccc2O1 32674288 LFQJLHAOSAJZNM-INIIMTJFSA-N 440.584 3.642 0 40 IHAB CN(CC(=O)N1CCc2sccc2[C@@H]1c1cccs1)S(=O)(=O)c1cccs1 32781500 XSIUEMDNOOWPDU-GOSISDBHSA-N 438.621 3.666 0 40 IHAB O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc(I)cc1 33663184 BFDYRILWWKNXNB-UHFFFAOYSA-N 439.293 3.989 0 40 IHAB Cc1ccc(N2C(=O)C[C@H](C(=O)OCC(=O)NCc3ccco3)[C@@H]2c2cccs2)cc1 39964460 GVRXCQLQDWOHFS-PGRDOPGGSA-N 438.505 3.603 0 40 IHAB Cc1csc(=O)n1CCC(=O)NC[C@H](c1ccccc1)N1CCc2sccc2C1 40107177 SGIKDSLACPBMJB-LJQANCHMSA-N 427.595 3.586 0 40 IHAB Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccc(Cl)cc4)[nH]c(=O)c32)cc1C 40399260 DWBRZHDGQKMDGL-INIZCTEOSA-N 437.887 3.848 0 40 IHAB CCCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)NCc2cccc(OC)c2)C1 44803859 WMZCJUKVYSRXJC-IBGZPJMESA-N 434.540 3.960 0 40 IHAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OC 44838973 NNPKYBMEKXVIFT-HXUWFJFHSA-N 446.569 3.893 0 40 IHAB CC1CCC2(CC1)NC(=O)N(NC(=O)c1cc3ccccc3n1Cc1ccccc1)C2=O 46899205 YWFAPMOMDNSDKQ-UHFFFAOYSA-N 430.508 3.835 0 40 IHAB Cc1ccc(-c2noc(-c3ccc(=O)n(CC(=O)NCCCc4ccccc4)c3)n2)cc1 49005930 FEKOHIKOALYFEF-UHFFFAOYSA-N 428.492 3.623 0 40 IHAB CSc1cccc(N2C(=O)N(Cc3c(C)noc3C)S(=O)(=O)c3cccnc32)c1 49420948 BIMWOYCLOMBWRE-UHFFFAOYSA-N 430.511 3.871 0 40 IHAB COC(=O)Cn1c2c(sc1=O)[C@@H](c1ccccc1)CC(=O)N2c1cc(F)c(F)c(F)c1 49546288 FCVITRRNJMUFQK-CYBMUJFWSA-N 448.422 3.700 0 40 IHAB COc1cccc(CNC(=O)Cn2cccc2-c2nc(-c3ccc(OC)c(OC)c3)no2)c1 57487208 ABCNLQOWIFEMBA-UHFFFAOYSA-N 448.479 3.547 0 40 IHAB CN(C(=O)Cn1c(=O)n(-c2ccccc2F)c(=O)c2sccc21)c1cccc(Cl)c1 57490600 JKTFKJZFXFAYHC-UHFFFAOYSA-N 443.887 3.669 0 40 IHAB Cc1ccc(NC(=O)Cn2cnc3nc(N4CCC[C@H](C)C4)sc3c2=O)c(Cl)c1 67226175 AZWYWPCHZABHDT-ZDUSSCGKSA-N 431.949 3.690 0 40 IHAB Cc1ccc([C@H](C)NC(=O)Cn2nc3c(Sc4ccc(C)cc4C)nccn3c2=O)cc1 67319625 MPQJMZRNNOTNLS-SFHVURJKSA-N 447.564 3.845 0 40 IHAB O=S(=O)(NC[C@H](O)c1ccc(C(F)(F)F)cc1)c1ccc(Br)s1 70640162 SQMJUQJVDMEDGD-JTQLQIEISA-N 430.267 3.541 0 40 IHAB Cc1ccc(C(=O)N(Cc2ccccn2)Cc2ccc(Br)cc2F)c(=O)[nH]1 71840962 UVUKYWKXWOGMCY-UHFFFAOYSA-N 430.277 3.823 0 40 IHAB CCC[C@](C)(CCCNC(=O)Cn1c(-c2ccc(C)cc2)n[nH]c1=S)C1OCCO1 72306513 RCVINIXSNGRIQA-JOCHJYFZSA-N 432.590 3.992 0 40 IHAB CN1CCN(Cc2ccc(-c3c[nH]nc3[C@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2)CC1 72360813 MXCFYXRVLCZHJJ-NRFANRHFSA-N 439.604 3.939 0 40 IHAB Cc1ccc(S(=O)(=O)N2CC[C@@H](c3cc(CCOc4cccc(F)c4)[nH]n3)C2)cc1F 72371426 NPZDGWALOZTVSJ-MRXNPFEDSA-N 447.507 3.796 0 40 IHAB CN1CCc2nc([C@H]3CCCN(C(=O)[C@@H](c4ccccc4)C4CCCCC4)C3)[nH]c(=O)c2C1 72398719 NTNGDOTZDZICGB-URXFXBBRSA-N 448.611 3.828 0 40 IHAB COC(=O)c1nc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)sc1CC(C)C 95479561 DOYBUPKWWJRJTO-UHFFFAOYSA-N 432.542 3.824 0 40 IHAB biogenic COc1cccnc1N(C)S(=O)(=O)c1ccc(OC(F)(F)F)cc1Br 95977435 SWFKLUMECLZSSU-UHFFFAOYSA-N 441.225 3.576 0 40 IHAB CCOC(=O)Cn1/c(=N/C(=O)c2ccccc2Br)sc2cc(OC)ccc21 100877767 KZBCQDIAVGEKJC-VZCXRCSSSA-N 449.326 3.778 0 40 IHAB COc1ccc(OC)c([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)c1 101081719 VQCOQBCTHBUVPH-VABKMULXSA-N 448.450 3.894 0 40 IHAB C[C@H]1CCC[C@H](C)N1C[C@@H](O)COc1ccc(OC[C@@H](O)CN2[C@@H](C)CCC[C@H]2C)cc1 101263549 ODYINPFMZIJYIN-NOGMDXJMSA-N 448.648 3.692 0 40 IHAB C[C@H](SC(=S)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(=O)Nc1cccc(Cl)c1 113480333 KMMQYOMPVVOGJD-KKUMJFAQSA-N 448.013 3.966 0 40 IHAB CC(C)Oc1cccc(CNC(=O)CCCN(c2ccc(F)c(F)c2)S(C)(=O)=O)c1 113965245 BOVIUMRPJAGCMH-UHFFFAOYSA-N 440.512 3.615 0 40 IHAB CC[C@H](C(=O)Nc1ccccc1Br)N(c1ccccc1F)S(C)(=O)=O 220587786 VFQLZYASISGRCT-OAHLLOKOSA-N 429.311 3.772 0 40 IHAB CCn1c(=O)sc2cc(S(=O)(=O)NCCOc3ccc(C(C)(C)C)cc3)ccc21 223662502 WCAYTICWCQOEGM-UHFFFAOYSA-N 434.583 3.738 0 40 IHAB Cc1cc(S(=O)(=O)NCCOc2ccccc2C(C)(C)C)ccc1N1CCCC1=O 223709103 NEJWXEJFOXUNKB-UHFFFAOYSA-N 430.570 3.777 0 40 IHAB Cc1cc(C)cc(OCCNC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c1 224066948 UKUQLJWKWJBPHQ-UHFFFAOYSA-N 438.549 3.937 0 40 IHAB COc1ccc(S(=O)(=O)Nc2cc(C(=O)NCc3cccc(F)c3)ccc2C)cc1 224102559 ZQNLATWLTOJHLM-UHFFFAOYSA-N 428.485 3.874 0 40 IHAB CC[C@@H]1CCCCN1CCCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 224179543 DCTSBQAGWOIMPR-OAQYLSRUSA-N 443.613 3.896 0 40 IHAB COc1ccc(C(=O)N2CCCCC2)cc1CN(C)S(=O)(=O)c1ccc(Cl)cc1 224794016 PAOBMOWFDGYSMC-UHFFFAOYSA-N 436.961 3.795 0 40 IHAB CCc1ccc([C@@H](C)NC(=O)[C@@H](C)N(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)cc1 225067367 DAKYAHSDLDZOTP-HUUCEWRRSA-N 438.977 3.943 0 40 IHAB CCc1ccccc1NC(=S)N1CCN(Cc2cc(OC)c(OC)c(OC)c2)CC1 225224717 DMLFLHLPMKCTAD-UHFFFAOYSA-N 429.586 3.789 0 40 IHAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)COc1ccc(OC)cc1 225548039 DJIIHOJUKHKGAY-VWLOTQADSA-N 446.547 3.769 0 40 IHAB CC(C)C[C@]1(O)CCN(C(=O)COc2ccc(F)cc2F)C[C@@H]1Oc1ccc(F)cc1 257326579 WXSOYYNJDPQTRX-JTHBVZDNSA-N 437.458 3.940 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(F)cc3F)C2)cc1C 408559810 MXACVWZBXAVYMB-HNNXBMFYSA-N 438.496 3.711 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F 408627207 YJZOGCXZHCMWID-JTQLQIEISA-N 436.839 3.673 0 40 IHAB COc1ccc(Cl)cc1N1C[C@H](C(=O)OCC(=O)Nc2cccc(Cl)c2)CC1=O 408644597 GZTCZOVRDUIRKK-GFCCVEGCSA-N 437.279 3.537 0 40 IHAB CCCOC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccccc2Cl)cc1 408661754 HMQJEHLTWQBBPQ-UHFFFAOYSA-N 446.887 3.807 0 40 IHAB CCc1cc(Br)ccc1NC(=O)COC(=O)CCC(=O)NCc1ccccc1 408668417 SUZNJSJRUNSXJE-UHFFFAOYSA-N 447.329 3.590 0 40 IHAB CS(=O)(=O)N(CC(=O)NCCSc1ccccc1)c1ccc(Cl)c(Cl)c1 408923410 XJSNXBHSGCIAQV-UHFFFAOYSA-N 433.382 3.668 0 40 IHAB C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)c2ccccc2O1 521111998 ZEIYNFWGCRLGRA-GOSISDBHSA-N 448.544 3.861 0 40 IHAB Cc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2I)cc1F 1663660121 HPZUASQKBZDLLC-UHFFFAOYSA-N 439.677 3.871 0 40 IHAB O=C(CSc1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)o1)c1ccccc1F 901853 FFRKTQHQLXIBQF-UHFFFAOYSA-N 447.513 3.635 0 40 IHAB COc1ccc(CN(C(=O)c2ccccc2)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)cc1 2193943 HUFCRCIVCJTWQI-JOCHJYFZSA-N 432.451 3.809 0 40 IHAB CCOC(=O)C[C@H](NC(=O)c1cc2c(=O)n3cccc(C)c3nc2s1)c1ccc(C)cc1 2498399 SHSDNEHFMXFENQ-SFHVURJKSA-N 449.532 3.950 0 40 IHAB CCOc1ccccc1C(=O)NCC(=O)OCC(=O)Nc1ccc(-c2ccccc2)cc1 2652009 GAAMEZVSOGQQLM-UHFFFAOYSA-N 432.476 3.664 0 40 IHAB COCCNc1nnc(SCC(=O)Nc2ccccc2C(=O)c2ccccc2)s1 3421701 PNPUOQIAPZWVKV-UHFFFAOYSA-N 428.539 3.558 0 40 IHAB O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)Nc1c(Cl)cccc1C(F)(F)F 8890592 NXAAKKHOIUCDPR-IBGZPJMESA-N 437.805 3.691 0 40 IHAB Cc1cc(C(=O)CN2C(=O)N[C@H](Cc3ccccc3)C2=O)c(C)n1CCc1ccccc1 9054559 FCGDKBRWKBKZHD-HSZRJFAPSA-N 429.520 3.693 0 40 IHAB COc1cccc(CCNC(=O)[C@H]2CCc3sc(NC(=O)c4ccc(F)cc4)nc32)c1 9131696 CYAUTUCXZHVDKY-SFHVURJKSA-N 439.512 3.932 0 40 IHAB CN(C)C(=O)[C@H](OC(=O)c1cc(-c2ccc(Br)cc2)[nH]n1)c1ccccc1 9219728 NYMYNHHBMIJIHP-GOSISDBHSA-N 428.286 3.826 0 40 IHAB C[C@@H]1Cc2ccccc2N1C(=O)CN(Cc1ccco1)S(=O)(=O)c1ccccc1F 9336897 ASXLMFZYSMXTOR-MRXNPFEDSA-N 428.485 3.587 0 40 IHAB Cc1cc(C)cc(O[C@@H](C)C(=O)N(Cc2ccc(Cl)cc2)[C@@H]2CCS(=O)(=O)C2)c1 9345943 MMVLCRIUIHOPNC-FXAWDEMLSA-N 435.973 3.940 0 40 IHAB CCn1c(CC(=O)Nc2ccccc2C)nnc1S[C@H](C)C(=O)NC1CCCCC1 9541028 JFJAVTHJVCKYLQ-MRXNPFEDSA-N 429.590 3.717 0 40 IHAB CCN(Cc1nc(-c2ccc(Cl)cc2)no1)S(=O)(=O)c1ccc(NC(C)=O)cc1 9582102 ODOHGUMDMXJMQY-UHFFFAOYSA-N 434.905 3.559 0 40 IHAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cccc(NS(=O)(=O)c2ccccc2)c1 9596695 NMHLIZASBYGQSS-NRFANRHFSA-N 439.537 3.647 0 40 IHAB COc1ccc(-c2nc3n(n2)[C@@H](c2ccncc2)C(C(=O)Nc2cccnc2)=C(C)N3)cc1 9638015 ZUQDIOAWXXHIDZ-NRFANRHFSA-N 439.479 3.671 0 40 IHAB COc1ccccc1N1CCN(C(=O)NCc2ccc(COCC(F)(F)F)cc2)CC1 9756523 LARKKCKWUUJGAZ-UHFFFAOYSA-N 437.462 3.806 0 40 IHAB CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1OCC(=O)Nc1ccc(C(C)C)cc1 9761891 MBNALCYAJMBSPM-UHFFFAOYSA-N 449.507 3.859 0 40 IHAB Cc1cc(C)n2nc(SCC(=O)N3CCC(c4nc5ccccc5s4)CC3)nc2n1 9781431 NTASQMRZGWFFHV-UHFFFAOYSA-N 438.582 3.849 0 40 IHAB O=C(Nc1nc2c(s1)CCCC2)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 10187153 OHFMJJYFLJYAKP-NSHDSACASA-N 431.992 3.529 0 40 IHAB CCN(CC)Cc1ccccc1CNC(=O)c1nn(-c2ccc(Cl)cc2)c(C)cc1=O 10284604 FQJWNVUXVNOKQI-UHFFFAOYSA-N 438.959 3.966 0 40 IHAB COc1ccc(N(CCCC(=O)NCCSC(C)(C)C)S(C)(=O)=O)cc1Cl 10331751 CJICCAQRNUXHHJ-UHFFFAOYSA-N 437.027 3.543 0 40 IHAB CNC(=O)NC(=O)[C@H](C)Sc1nnc(-c2ccccc2Cl)n1Cc1ccccc1 11021017 NQJURZUXBYTZQF-ZDUSSCGKSA-N 429.933 3.583 0 40 IHAB Cc1ccc(-c2ccc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nn2)cc1 11695341 XTEALUVLPQUDLU-UHFFFAOYSA-N 428.945 3.616 0 40 IHAB CC(=O)Nc1ccc(OCC(=O)N2CCC[C@@H](c3nc4ccccc4cc3N)C2)cc1C 12088065 AZDVKXAYQVXZJY-LJQANCHMSA-N 432.524 3.869 0 40 IHAB CCOc1ccc(NCc2nc(-c3cccs3)no2)cc1S(=O)(=O)N1CCCC1 12526689 RPVUBUWPHMHKBR-UHFFFAOYSA-N 434.543 3.593 0 40 IHAB COc1ccc(NC(=O)[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(C)C)c(OC)c1 12621358 AXMNGPKULOUITJ-QFIPXVFZSA-N 442.537 3.799 0 40 IHAB COC(=O)[C@@H](c1ccccc1Cl)N1CCN(C(=O)c2cc(Cl)ccc2OC)CC1 12738041 XFDHQRVEDFMPGR-LJQANCHMSA-N 437.323 3.674 0 40 IHAB COc1cc(NC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc(OC)c1OC 12976438 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O=C(c1cccc(C(F)(F)F)c1)N1CCN(c2ccc(N3CCCCCC3)nn2)CC1 16689891 RNTUOCIJEKYCQQ-UHFFFAOYSA-N 433.478 3.838 0 40 IHAB CC(=O)N(c1nc(COC(=O)C2=NN(C)C(=O)CC2)cs1)c1c(C)cc(C)cc1Cl 17734330 JLXVDZQXFKYAEJ-UHFFFAOYSA-N 448.932 3.749 0 40 IHAB CS(=O)(=O)c1nc2ccccc2n1CC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 18381070 LOLLRIRVFTXSGF-FQEVSTJZSA-N 443.525 3.546 0 40 IHAB CCOC(=O)[C@]1(Cc2cc(-c3ccc(C)cc3)no2)CCCN(C(=O)[C@H]2CCCO2)C1 19529892 NAHFNQOCQVPENT-QPPBQGQZSA-N 426.513 3.543 0 40 IHAB CCOc1ncccc1C(=O)NCCn1nc(-c2ccc(F)cc2)cc1-c1cccnc1 19531547 RLGBIQFONNCOCL-UHFFFAOYSA-N 431.471 3.975 0 40 IHAB COc1ccc(-c2nnc3n2[C@@H]2CCCC[C@H]2N(C(=O)c2oc(C)nc2C)C3)cc1OC 19559371 ACXLMOYGQPRRCJ-IAGOWNOFSA-N 437.500 3.707 0 40 IHAB COc1ccc(-c2noc([C@@H]3[C@@H]4CC[C@@H](C4)N3S(=O)(=O)c3ccccc3)n2)cc1OC 19561592 PJIMSUVWZFDBET-IIMJZQEZSA-N 441.509 3.668 0 40 IHAB COc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3C)CC2)cc1Cl 19867655 CGTJFMJIOITITQ-UHFFFAOYSA-N 436.961 3.838 0 40 IHAB CCN(CC(=O)Nc1ccc(F)c(C(F)(F)F)c1)S(=O)(=O)c1cc(C)ccc1OC 20014824 BOWVCLRPBIBQQR-UHFFFAOYSA-N 448.438 3.811 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(F)ccc3C)CC2)cc1C 20017277 YADMTEBFUGGLHA-UHFFFAOYSA-N 434.533 3.881 0 40 IHAB COc1cc([C@@H]2C3=C(COC3=O)Nc3c2c(C)nn3-c2ccc(C)cc2)cc(OC)c1OC 20086305 MTNXHJJSJKWCHO-NRFANRHFSA-N 447.491 3.883 0 40 IHAB Cc1ccc([C@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(c3cccc(C)c3C)CC2)cc1 20140659 DADKYQVHBKPSMQ-UKILVPOCSA-N 446.599 3.689 0 40 IHAB O=C(Cc1ccc(Cl)cc1)Nc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)cc1 20457658 MXPVTGUJVDTJAU-UHFFFAOYSA-N 425.838 3.732 0 40 IHAB O=C(N[C@]1(C(F)(F)F)N=C(c2ccccc2)N(CCc2ccccc2)C1=O)c1ccco1 20522092 SBQZSGKSNUNZQB-JOCHJYFZSA-N 441.409 3.800 0 40 IHAB O=C(CN1CCN(CCc2ccccc2)CC1)Nc1nc(-c2cc(F)ccc2F)cs1 22242950 XQAFKYPYYIJJDE-UHFFFAOYSA-N 442.535 3.887 0 40 IHAB Cc1ccc(C)c(N(CC(=O)NCCCc2ccc(OC(C)C)cc2)S(C)(=O)=O)c1 22328696 GSRLFHCXDTWTBT-UHFFFAOYSA-N 432.586 3.606 0 40 IHAB Cc1ccccc1OC[C@@H](C)NC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 22361925 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Cc1ccc(CNC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2Cl)cc1 33452080 WBTFYPBUODONAC-UHFFFAOYSA-N 436.961 3.518 0 40 IHAB CC(=O)c1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)cc(C)cc3C)C2)c1 33685509 XEQXBHFZNARJCK-FQEVSTJZSA-N 428.554 3.854 0 40 IHAB COc1ccc(Br)cc1/C=C/C(=O)Nc1ccccc1N1CCN(C)CC1 34695619 CPPAJGWMPSVELY-JXMROGBWSA-N 430.346 3.861 0 40 IHAB COc1ccc(N([C@H](C)C(=O)N[C@H](C)c2ccc(C)cc2C)S(C)(=O)=O)cc1Cl 36107382 BIKHMJFXBMWSPS-HZPDHXFCSA-N 438.977 3.997 0 40 IHAB COc1ccc(CCNC(=O)c2nnn(-c3ccc(C)cc3)c2-c2cccnc2)cc1OC 38487483 ASLWKSQWMUSZMK-UHFFFAOYSA-N 443.507 3.627 0 40 IHAB O=C(c1ccc(Cl)cc1)N1CCC[C@@H](C(=O)N2CCCN(Cc3ccccc3)CC2)C1 39535825 RVZIWXAEGBCYQT-JOCHJYFZSA-N 439.987 3.927 0 40 IHAB CN1C[C@H](c2ccc(F)cc2)[C@H](C(=O)c2ccc3c(c2)OCO3)[C@@]12C(=O)Nc1ccccc12 43732548 QCQZDWILBXABDO-BYPCIHSKSA-N 444.462 3.930 0 40 IHAB C[C@@H](NC(=O)C1CCN(Cc2ccccc2Cl)CC1)c1ccc(S(C)(=O)=O)cc1 44857122 UMHWRRVISCBMQF-MRXNPFEDSA-N 434.989 3.833 0 40 IHAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(S(=O)(=O)NC(C)C)ccc1OC 44879992 KERAEUXFGKEPND-SFHVURJKSA-N 440.949 3.831 0 40 IHAB CCN(C(=O)Cn1c(=O)n(-c2cc(C)ccc2C)c(=O)c2sccc21)c1ccccc1 57492479 AAFQNHJBXCJYCT-UHFFFAOYSA-N 433.533 3.884 0 40 IHAB CCc1cccc(C)c1NC(=O)CSc1ncnc2nc(N3CCOCC3)sc12 57506994 ZKHXZRWWCJZFCK-UHFFFAOYSA-N 429.571 3.525 0 40 IHAB Cc1cc(-c2cnc(NCc3ccccc3)nc2-c2ccc(N3CCOCC3)nc2)on1 72336996 LFGZICTXATZRNE-UHFFFAOYSA-N 428.496 3.951 0 40 IHAB Cc1cc(C(F)(F)F)n2nc(C(=O)N3CCC[C@@]4(C)c5nc(C)ncc5CC[C@H]34)cc2n1 72342445 OXEIAAPLZAISEQ-HRAATJIYSA-N 444.461 3.664 0 40 IHAB CCn1ncc(S(=O)(=O)N2CCC[C@H](c3cccc(-c4ccccc4F)n3)C2)c1C 72350171 SZJNULJJUNBGGD-KRWDZBQOSA-N 428.533 3.981 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC[C@H](O)c2cccc3ccccc23)cc1 77117461 GXQWSCRKAAMBKG-QHCPKHFHSA-N 440.565 3.724 0 40 IHAB COc1ccccc1Cn1c(=O)[nH]c2cc(-c3nc(-c4ccc(F)cc4)no3)ccc2c1=O 85601904 YPSHEKVKKOPNGI-UHFFFAOYSA-N 444.422 3.603 0 40 IHAB Cc1ccc(-c2nnc(CCC(=O)N[C@@H](C(=O)O)c3ccccc3C(F)(F)F)o2)cc1 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COC(=O)CN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224965543 NLWUEDYQQQMAIR-UHFFFAOYSA-N 437.823 3.736 0 40 IHAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)COc1ccc(F)cc1 225570642 ZZQPLNXUVLIYMH-DEOSSOPVSA-N 434.511 3.899 0 40 IHAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1ccc(OC)cc1 225749978 VEVWKLGTBVEWFQ-WZONZLPQSA-N 442.556 3.805 0 40 IHAB CCCOc1ccc(C=c2sc3nc(-c4ccc(F)cc4)nn3c2=O)cc1OCC 254757768 DGWSZYNSISXSGR-UHFFFAOYSA-N 425.485 3.692 0 40 IHAB COc1ccc([C@@H]2CN(C(=O)c3ccccc3CN3CCCCC3)CCN2C(C)=O)cc1 257224944 FEBAFKMLCIIXBR-VWLOTQADSA-N 435.568 3.727 0 40 IHAB C[C@@H]1CCC[C@@H](C)N1C(=O)c1c[nH]nc1C1CCN(C(=O)Cc2cccc(F)c2)CC1 257227444 FPHWNUNTAYKBES-IAGOWNOFSA-N 426.536 3.901 0 40 IHAB O=C1CCCN1CCCNC(=O)C1(Cc2cccc(-c3ccc(F)cc3)c2)CCOCC1 257246250 ITHCLYSXQYGWMO-UHFFFAOYSA-N 438.543 3.961 0 40 IHAB Cc1nc(-c2cccc(NC(=O)CN3CC[C@H](Oc4ccccc4)[C@@](C)(O)C3)c2)cs1 257255955 KJNXCVBXIRFHMS-UPVQGACJSA-N 437.565 3.961 0 40 IHAB Cc1ccc(C2(C(=O)N3CCC[C@@H](Cc4[nH]ncc4S(C)(=O)=O)C3)CCCCC2)cc1 257312247 UMZUYDCGYFQMCA-IBGZPJMESA-N 443.613 3.805 0 40 IHAB C[C@H]1C[C@H](C)CN(CCCNC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)C1 260565379 NJDWTRFQGWVDBM-PMACEKPBSA-N 443.613 3.610 0 40 IHAB Cc1ccc(CN2C[C@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccsc2)C3=O)s1 306127615 GDOQMCWZXNDYTF-GGAORHGYSA-N 439.606 3.910 0 40 IHAB COc1ccc(CNS(=O)(=O)c2ccc(OC)c(NC(=O)c3ccc(C)cc3)c2)cc1 408558842 KKEMKSVHBDKQFX-UHFFFAOYSA-N 440.521 3.743 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(F)c(Cl)c3)C2)cc1 408562274 YQINUOHFLXEHPJ-AWEZNQCLSA-N 440.924 3.917 0 40 IHAB CC(C)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1 408593963 QXLPMUQYQWLTOJ-ZDUSSCGKSA-N 441.347 3.542 0 40 IHAB C[C@@H](CCc1ccccc1)NC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(C)(=O)=O 408610994 PKLOOQDUTAXGJU-HNNXBMFYSA-N 443.396 3.893 0 40 IHAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 409409018 FTKNAQWNRFTIDE-QZTJIDSGSA-N 445.585 3.625 0 40 IHAB O=C(O)C[C@H]1CCCN(C(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)C1 532875407 YGTPHMHEICNHLE-UZLBHIALSA-N 428.916 3.915 0 40 IHAB Cc1ccc(Br)c(S(=O)(=O)N2CCCC[C@@H]2c2n[nH]c(C(C)C)n2)c1 565508105 FJJFHHCWIOIRBK-CQSZACIVSA-N 427.368 3.915 0 40 IHAB C[C@@]1(O)CCN(C(=O)COc2ccccc2)[C@@H](c2cccs2)[C@@H]1NC(=O)C1CCCC1 604383065 CDWBZXWECRSFHP-WPFOTENUSA-N 442.581 3.527 0 40 IHAB biogenic,in-vitro Cc1c(C(=O)Nc2ccccc2)[n+]([O-])cn1-c1ccc2oc(C(F)(F)F)cc(=O)c2c1 1547201081 VDGKTHDEFLXLCW-UHFFFAOYSA-N 429.354 3.797 0 40 IHAB Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CCC[C@@H](C)C3)cc2c1 1224703 CRTGYUWGNJSQHR-WZONZLPQSA-N 428.540 3.693 0 40 IHAB CC1CCN(C(=O)CN2C(=O)C(C)(C)Oc3ccc(C(=O)Nc4ccccc4)cc32)CC1 1342350 XAFSGWOKYLNQAX-UHFFFAOYSA-N 435.524 3.701 0 40 IHAB COC(=O)c1c(NC(=O)COc2ccc(Cl)cc2C)sc2c1[C@@H](C(=O)OC)CC2 1779982 QNVGNIFIJFWFSZ-LBPRGKRZSA-N 437.901 3.717 0 40 IHAB Cc1cc2nnc(SCC(=O)N(C)CC(=O)Nc3ccc(F)cc3)n2c2ccccc12 3446821 GXXDQGQMQQUXPD-UHFFFAOYSA-N 437.500 3.519 0 40 IHAB CCc1cccc(N(C(=O)c2csnn2)[C@@H](C(=O)NC2CCCC2)c2ccccn2)c1 6284361 XLYXBARCXOQFMJ-OAQYLSRUSA-N 435.553 3.942 0 40 IHAB COc1cccc2cc(-c3nnc(SCC(=O)Nc4cccc(C(=O)O)c4)n3C)oc12 8442068 NTNCUORWWRPYQQ-UHFFFAOYSA-N 438.465 3.666 0 40 IHAB COc1ccccc1-n1nnnc1SCC(=O)Nc1ccc(OCc2ccccc2)cc1 8899045 OKIGBDQCCCVDBI-UHFFFAOYSA-N 447.520 3.981 0 40 IHAB O=C(Cc1ccc(Cl)cc1)Nc1c2c(nn1-c1ccc(Cl)cc1)CS(=O)(=O)C2 8910157 PTGXIHIIGCCRIK-UHFFFAOYSA-N 436.320 3.789 0 40 IHAB COc1ccc(-c2c(C)c3ccc(OC(=O)N4CCOCC4)cc3oc2=O)c(OC)c1 8995055 HLYOMFSNYZYSTD-UHFFFAOYSA-N 425.437 3.617 0 40 IHAB biogenic O=C(N[C@H](Cc1ccccc1)C(=O)N1CCN(c2ccccc2F)CC1)c1ccccc1 9204285 AJHPHDFNIHWDPG-HSZRJFAPSA-N 431.511 3.516 0 40 IHAB COC(=O)C1=C(C)Nc2sc(C(=O)Nc3cc(C)on3)c(N)c2[C@@H]1c1cccs1 9305357 RKOWLFLAPCSVGU-CYBMUJFWSA-N 430.511 3.945 0 40 IHAB O=C(CSc1nnc(NC(=O)c2cccc(C(F)(F)F)c2)s1)Nc1nccs1 9366100 OUCGDHQBNOXAAR-UHFFFAOYSA-N 445.473 3.997 0 40 IHAB Cc1ccc(-n2ncc3c(=O)n(CC(=O)Nc4ccc(C(F)(F)F)cc4)cnc32)cc1C 9416552 UNJVGGUISBTAMZ-UHFFFAOYSA-N 441.413 3.857 0 40 IHAB CCC(=O)N(c1nnc(SCc2nc3ccc(Cl)cc3n2CCO)s1)C1CC1 9467084 BNNQBVIRHHJPST-UHFFFAOYSA-N 437.978 3.731 0 40 IHAB COC(=O)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc1 9480120 VHLWVUYEBDYEGG-JTQLQIEISA-N 427.787 3.912 0 40 IHAB Cc1nc2cc(NC(=O)CN3C(=O)N[C@](C)(c4ccc5ccccc5c4)C3=O)ccc2o1 9501166 QLGHJEQEQSNFEL-XMMPIXPASA-N 428.448 3.695 0 40 IHAB CCCCN1C(SCC(=O)Nc2cccc(C(C)=O)c2)=NS(=O)(=O)c2ccccc21 9530334 YAZGQWKIZCZHEN-UHFFFAOYSA-N 445.566 3.926 0 40 IHAB O=C1N[C@]2(CCCc3ccccc32)C(=O)N1Cc1cc2c(cc1Br)OCCO2 9535854 SCIPZTSVAMXBQA-NRFANRHFSA-N 443.297 3.504 0 40 IHAB Cc1ccc(Cn2c(=O)c3ccccc3n3c(CCC(=O)N4CCC(C)CC4)nnc23)cc1 9831418 KWHDWGUKROFDAW-UHFFFAOYSA-N 443.551 3.592 0 40 IHAB C[C@@H](OC(=O)[C@@H]1CCCN1C(=O)c1cccs1)C(=O)Nc1ncc(Cl)cc1Cl 9961998 RAXRKTHEHKDJDJ-MFKMUULPSA-N 442.324 3.625 0 40 IHAB COc1ccc(NC(=O)CSc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1Cl 10010134 GTZGGROJBPDOPW-UHFFFAOYSA-N 440.974 3.864 0 40 IHAB O=C(CCSc1ccccc1)NCCOc1ccc2nnc(-c3ccc(F)cc3)n2n1 11693862 SHSLDQDWOFCYDP-UHFFFAOYSA-N 437.500 3.608 0 40 IHAB Cc1noc(-c2ccccc2OCC(=O)N2CCC[C@H](c3nc4ccccc4cc3N)C2)n1 12088062 LDNPEHUFJGISFP-SFHVURJKSA-N 443.507 3.960 0 40 IHAB COc1ccccc1CNC(=O)CSc1ccc(-c2ccc(OC)c(OC)c2)nn1 12140455 GCHUPSYXOVFLHY-UHFFFAOYSA-N 425.510 3.578 0 40 IHAB CCOc1ccc(CN2CCc3nc4cc(-c5ccoc5C)nn4c(O)c3C2)cc1OC 12275945 BSBCVFCZLOLDCE-UHFFFAOYSA-N 434.496 3.969 0 40 IHAB O=C1C[C@@H](C(F)(F)F)N(C(=O)CSc2nncn2-c2ccccc2)c2ccccc2N1 12526874 MVHVXEGOIWVJPO-INIZCTEOSA-N 447.442 3.666 0 40 IHAB Cc1ccc(-c2n[nH]c(=S)n2CC(=O)N2CCN(c3ccccc3Cl)CC2)cc1 12592646 KXSNEVOBVPHBAN-UHFFFAOYSA-N 427.961 3.918 0 40 IHAB COc1ccc(NC(=O)N(CCCN(C)C)Cc2cc3ccc(OC)cc3[nH]c2=O)cc1 12707873 IGPQLUIQCOKURT-UHFFFAOYSA-N 438.528 3.531 0 40 IHAB O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CC=C(c2ccccc2)CC1 12844542 NNOMEIDANBWEPA-HXUWFJFHSA-N 428.529 3.542 0 40 IHAB COC(=O)[C@H](C)NC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12 12892339 AAPPTVQRFKMVTR-ZDUSSCGKSA-N 442.899 3.520 0 40 IHAB CC[C@@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)OC1(CCCCC1)CC3)C(=O)O 13629244 WGPMCSNYNDGCAT-GOSISDBHSA-N 427.497 3.651 0 40 IHAB COc1ccc(CN(C(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)[C@@H]2CCS(=O)(=O)C2)cc1 13750098 QEPWMNSOPZJPKQ-QGPMSJSTSA-N 446.396 3.802 0 40 IHAB O=C1NC2(CCCC2)C(=O)N1CCCC(=O)N1CCc2sccc2[C@H]1c1cccs1 14095404 MVYXNAJVNROJGV-IBGZPJMESA-N 443.594 3.929 0 40 IHAB CCCn1c2ccccc2c2nnc(SCC(=O)N[C@@H](C(C)=O)c3ccccc3)nc21 15081553 GNZWAEGJXNFDFS-FQEVSTJZSA-N 433.537 3.928 0 40 IHAB O=C(CSCc1ccc(Cl)cc1)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 15378257 RADYRFIDZFUOJB-MRXNPFEDSA-N 430.016 3.851 0 40 IHAB CCCS(=O)(=O)N1CCCc2cc(NC(=O)c3cc4ccccc4oc3=O)ccc21 15780726 ABKZMXKYSKEGPD-UHFFFAOYSA-N 426.494 3.538 0 40 IHAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)O[C@H](C)C(=O)Nc1ccc(SC(F)F)cc1 16716558 IPECZFKICOZUEI-WBMJQRKESA-N 440.468 3.919 0 40 IHAB Cc1ccc(-c2ccccc2C[C@H]2CN(C(=O)C[C@H]3CC(C)(C)OC3=O)CCNC2=O)cc1 19212850 XEGYMTFNUUSXSW-VXKWHMMOSA-N 448.563 3.511 0 40 IHAB COc1cccc(CN2CCO[C@](Cc3cccc(-c4cccnc4)c3)(C(=O)N(C)C)C2)c1 19580885 SERSEOPHHJDWDV-MHZLTWQESA-N 445.563 3.659 0 40 IHAB Cc1nc([C@H]2CCCCN2C(=O)c2ccccn2)nc2c1CC(=O)N2CCc1ccccc1 19740281 YYXQTCWJAMMXKZ-JOCHJYFZSA-N 441.535 3.679 0 40 IHAB COc1cccc(C(=O)N2CCO[C@@H](c3cc(C(=O)NCC(C)C)c4ccccc4n3)C2)c1 19762016 ZJKLUOIQGHCYKH-XMMPIXPASA-N 447.535 3.843 0 40 IHAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1 20245848 LGGPUQKLKDEDOK-UHFFFAOYSA-N 425.510 3.974 0 40 IHAB COc1cccc(NC(=O)[C@H](NCC(C)(C)N2C[C@H](C)O[C@H](C)C2)c2ccccc2)c1 22735036 YKDJXAVLKTUHBD-SELNLUPBSA-N 425.573 3.852 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3c(C)cccc3CC)CC2)cc1 23652147 GSRFDOYFTFAUCQ-UHFFFAOYSA-N 430.570 3.996 0 40 IHAB COc1cc(CN(C)C(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)ccc1OCc1ccccc1 25622490 NANJEQQGVBRPBT-CYFREDJKSA-N 440.565 3.687 0 40 IHAB O=C(Nc1ccc(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)s1)c1ccco1 26415710 MRXNYYRTDNWQCM-AWEZNQCLSA-N 439.493 3.755 0 40 IHAB C[C@@H](NS(=O)(=O)c1ccccc1OC(F)(F)F)c1ccc(NC(=O)C2CC2)cc1 28045313 LENAJYLKIYYPCF-GFCCVEGCSA-N 428.432 3.973 0 40 IHAB Cc1cc(OCC(=O)NC(=S)Nc2ccccc2N2CCOCC2)cc(C)c1Cl 32115072 JRLUJHLSSVKPOK-UHFFFAOYSA-N 433.961 3.685 0 40 IHAB COc1ccc([C@H](CNC(=O)CN(C[C@@H]2CCOC2)C2CC2)c2c[nH]c3ccccc23)cc1 32935634 LIOZTIFAUAGVBI-CYFREDJKSA-N 447.579 3.926 0 40 IHAB CN(C)[C@@H](CNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1cccc(F)c1 32983596 VFIVIOUZLVSOMF-QHCPKHFHSA-N 444.510 3.617 0 40 IHAB Cc1ccc(-c2nc(Cn3nnc(C(=O)NCc4ccc(Cl)cc4)c3N)c(C)o2)cc1 33291614 GYGVCLVRRDAZJR-UHFFFAOYSA-N 436.903 3.764 0 40 IHAB C[C@H](CC(=O)NCCN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O)c1ccccc1 34675289 VBFUXXZWGIYLFB-OOWUWCJESA-N 438.505 3.762 0 40 IHAB O=C1N[C@@H]2CS[C@H](CCCCC(=O)N3CCc4sccc4[C@@H]3c3ccccc3)[C@H]2N1 34890533 LRWSIOSGPLBNQB-IVOMFYJKSA-N 441.622 3.948 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)N(c2ccccc2)S(C)(=O)=O)cc1Cl 38772951 ATTMQFCHWUMNPK-SFHVURJKSA-N 438.933 3.700 0 40 IHAB Cc1cccc(NC(=O)Cn2c(=O)n(CCc3cccs3)c(=O)c3sccc32)c1C 57494041 DHOPSIDPZZSHJE-UHFFFAOYSA-N 439.562 3.784 0 40 IHAB c1ccc(-n2cc(CCN(Cc3nc(C4CC4)no3)Cc3nc(C4CC4)no3)cn2)cc1 57996213 XRZIODSRVYGXBQ-UHFFFAOYSA-N 431.500 3.638 0 40 IHAB CCCNC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CN(C(=O)c2ccccn2)CCO1 72389064 BBKHJFRJFSWBSE-MHZLTWQESA-N 443.547 3.729 0 40 IHAB CCc1nc(C)c([C@@H](C)N(C)C(=O)NCc2nnc3ccc(C(F)(F)F)cn23)s1 83830235 YIKVXTFETBJIKU-LLVKDONJSA-N 426.468 3.978 0 40 IHAB CCN(CC)C(=O)C[C@@H]1CC2(CCN(C(=O)C3CCOCC3)CC2)Oc2ccccc21 96053502 ZDUVJOSXLFSMCA-HXUWFJFHSA-N 428.573 3.599 0 40 IHAB CCOc1ccc(CCN2C(=O)[C@@H](C(=O)O)[C@@H]3C[C@]2(C)Oc2ccccc23)cc1OCC 100213405 PBDBDEWPQZIOMJ-MOADCYBESA-N 439.508 3.852 0 40 IHAB CC(=O)c1cccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@H]6C[C@H]56)[C@H]4C3=O)c2)c1 102081302 GZKUFCZDPHINBR-RCQJKQRMSA-N 426.472 3.699 0 40 IHAB CCCCOc1ccc(N2C(=O)[C@H]3C(c4ccc(Br)cc4)=NO[C@H]3C2=O)cc1 103140257 JMUHLGHJSMADLW-PKOBYXMFSA-N 443.297 3.921 0 40 IHAB C[C@H]1CC[C@H]2N(C1)C[C@H]1[C@H]3C[C@@H]4[C@H](CC(=O)[C@H]5C[C@@H](O)CC[C@@]54C)[C@@H]3CC[C@H]1[C@@]2(C)O 103600694 IQDIERHFZVCNRZ-LQOPTHLMSA-N 429.645 3.886 0 40 IHAB O=C(c1cc(Br)ccc1Cl)N1CC[C@H](S(=O)(=O)Cc2ccco2)C1 206693138 SODIIJQRVAOVNQ-ZDUSSCGKSA-N 432.723 3.525 0 40 IHAB Cc1cc2nn(-c3cccc(I)c3)nc2c(Br)c1N 216872074 FRUDBYDKXSJKSO-UHFFFAOYSA-N 429.059 3.678 0 40 IHAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCc1nc(-c2ccc(OC)cc2OC)no1 219371527 UQXQDGZMJDXKJY-GOSISDBHSA-N 425.485 3.844 0 40 IHAB CC[C@@H](C(=O)Nc1ccccc1C(=O)NC(C)(C)C)N(c1cccc(C)c1)S(C)(=O)=O 220512182 NDDCJTHZTVLQMY-FQEVSTJZSA-N 445.585 3.707 0 40 IHAB COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(N(C)C)cc1 223063797 GPYYAEXIBBRPLK-PKTZIBPZSA-N 435.597 3.947 0 40 IHAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NC[C@@H]1CCCO1 223124448 JCUMVEOSJSVACB-FCHUYYIVSA-N 428.960 3.985 0 40 IHAB COc1ccc(CCCNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)cc1 223963440 SVOPHSQCGGFESD-UHFFFAOYSA-N 442.512 3.998 0 40 IHAB COc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(OC)c(OC)c3)c2)cc1 224037938 PIOTYSUKMCIOBU-UHFFFAOYSA-N 442.493 3.766 0 40 IHAB CCOc1ccc(C(=O)NCc2ccccc2)cc1CN(C)S(=O)(=O)c1ccccc1 224809706 LAUJWBXXGULYAG-UHFFFAOYSA-N 438.549 3.836 0 40 IHAB Cc1nc(C)c(C(=O)N2CCC(c3cc(C(=O)Nc4ccccc4F)[nH]n3)CC2)s1 225561751 ZQWJPBXOUVMNDZ-UHFFFAOYSA-N 427.505 3.894 0 40 IHAB COc1ccc(CSCC(=O)N(Cc2cccc(OC)c2)[C@@H](C)C(=O)NC(C)C)cc1 225651984 HQLKEEXVQMLKNT-SFHVURJKSA-N 444.597 3.879 0 40 IHAB Cc1ccc(N(CC(=O)NCCSC2CCCC2)S(=O)(=O)c2ccccc2)cc1 225851362 NZLQJUAPSSTEFJ-UHFFFAOYSA-N 432.611 3.982 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C)c2)Cc2ccccc2F)cc1 226022172 XTBCIBQAMYOOJG-UHFFFAOYSA-N 440.540 3.950 0 40 IHAB CCNC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(C(=O)c2ocnc2C)CC1 257211635 BZPUJNYLBQSVEM-UHFFFAOYSA-N 432.524 3.646 0 40 IHAB Cc1cc(C)n(-c2cc(C(=O)Nc3nc4cc(S(C)(=O)=O)ccc4s3)ccc2F)n1 257224551 FCGOTLLVZQUKFD-UHFFFAOYSA-N 444.513 3.894 0 40 IHAB CC(C)NC(=O)c1cc([C@H]2CC[C@H](CNC(=O)c3ccnn3C)CC2)nc2ccccc12 257295078 QWXHASFJUMBBIR-IYARVYRRSA-N 433.556 3.810 0 40 IHAB Cn1cc(C(=O)N2CCC[C@@]3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)c2ccccc21 257302790 SEKQCLKTHUUBLE-RUZDIDTESA-N 435.499 3.746 0 40 IHAB Cc1csc(Nc2cccc([C@H]3CN(C(=O)CCn4ncc5ccccc54)CCO3)n2)n1 257335166 YIXZLIYGATUNLT-HXUWFJFHSA-N 448.552 3.930 0 40 IHAB CCOc1ccc(NC(=O)Cn2cc(C(=O)C(=O)N3CCCCC3)c3ccccc32)cc1 408577055 YMYUKBHTMBFRPM-UHFFFAOYSA-N 433.508 3.874 0 40 IHAB COc1ccc(NC(=O)c2ccccc2N2C(=O)[C@H]3[C@H]4C=C(C)[C@@H](C4)[C@H]3C2=O)c(OC)c1 408673485 SMYZALSFMKGHET-DCZDKMHXSA-N 432.476 3.658 0 40 IHAB CCc1ccc(N(CC(=O)NCc2ccc(OC)cc2)S(=O)(=O)c2ccccc2)cc1 409025858 YURLGPLTAGESOO-UHFFFAOYSA-N 438.549 3.769 0 40 IHAB Cc1cc(C)c(C[C@H](C(=O)N[C@H]2CCN(C(=O)c3ccccn3)C2)C(F)(F)F)c(C)c1 535897504 ADWDXSQKRMKHGV-PKOBYXMFSA-N 433.474 3.759 0 40 IHAB CCc1c(NCc2nnc3n(CC)c(=O)c4ccccc4n23)cnn1-c1ccccc1C 580153628 FCWDVRODFIZRBA-UHFFFAOYSA-N 427.512 3.733 0 40 IHAB CC(=O)N1CCC(NC(=O)[C@H](Oc2ccc(Br)cc2)c2ccccc2)CC1 612168442 LCFRWDIEOALIME-HXUWFJFHSA-N 431.330 3.696 0 40 IHAB CC(=O)N1CCCCCCCN(C(C)C)Cc2cc(C(=O)N3CCC[C@@H](O)C3)ccc21 643576308 VYEIRILYYJCSRX-HSZRJFAPSA-N 429.605 3.811 0 40 IHAB CS(=O)(=O)c1ccc(CCC(=O)NC[C@H](O)c2ccc(-c3ccsc3)s2)cc1 1775966740 WXJJAFIPBXYCDH-KRWDZBQOSA-N 435.592 3.663 0 40 IHAB O=C(c1ccc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)N1CCCCC1 630967 RUPIJCVCGFIQER-UHFFFAOYSA-N 426.460 3.810 0 40 IHAB CC[C@@H]1Oc2ccc(C)cc2N(CC(=O)N(Cc2ccc(F)cc2)C[C@H]2CCCO2)C1=O 1362351 AYPDTDZCHWAETA-IRLDBZIGSA-N 440.515 3.846 0 40 IHAB COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCc2ccccc2)cc1Br 1513477 FGIJWMPUUUCFDO-SFHVURJKSA-N 431.286 3.829 0 40 IHAB COc1cc(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)c2ccco2)cc(OC)c1OC 2726561 VNLXRXGIXYCGPH-GOSISDBHSA-N 436.464 3.511 0 40 IHAB Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)Nc2cccc(N(C)C)c2)cc1 3192384 ALYDNBNMNDMZIL-XMMPIXPASA-N 449.576 3.815 0 40 IHAB CCOc1ccccc1NC(=O)[C@H](C)n1cnc2sc(C(=O)OC(C)C)c(C)c2c1=O 6631544 ZSQMVQSVKXPSBO-AWEZNQCLSA-N 443.525 3.930 0 40 IHAB O=c1c2oc3ccccc3c2n(Cc2ccccc2F)c(=O)n1Cc1ccc2c(c1)OCO2 8589184 RSFYSNVQQCAZEX-UHFFFAOYSA-N 444.418 3.874 0 40 IHAB CCCCn1c(CNC(=O)c2ccc(OC)cc2)nnc1SCC(=O)c1ccccc1 9390806 BXOOMOZVRJMCDE-UHFFFAOYSA-N 438.553 3.992 0 40 IHAB COc1cc(Cl)c(C)cc1NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2Cl)C1=O 9486946 UHMGNNFYTNBSQY-FQEVSTJZSA-N 436.295 3.716 0 40 IHAB Cc1cc(C(=O)COc2ccc(Cl)c3cccnc23)c(C)n1[C@H]1CCS(=O)(=O)C1 9494283 TXFPJZVTOQRBEJ-HNNXBMFYSA-N 432.929 3.928 0 40 IHAB O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)Nc1ccc(F)cc1Cl 9665468 LOXCRPXOJVLXSV-UHFFFAOYSA-N 437.858 3.913 0 40 IHAB O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCN(c2ccc(O)cc2)CC1 9746058 LPXPTCSJAOTWAD-UHFFFAOYSA-N 425.492 3.602 0 40 IHAB O=c1[nH]c(CSc2ncccn2)nc2c(Br)cc(Br)cc12 10861410 GYVZEDGWAMFLGZ-UHFFFAOYSA-N 428.109 3.530 0 40 IHAB O=C(Cn1cnc2c(cnn2-c2ccc(Cl)cc2)c1=O)Nc1cccc(C(F)(F)F)c1 11758424 QHGSSCKFOWUDPH-UHFFFAOYSA-N 447.804 3.893 0 40 IHAB COc1ccc(-c2noc(CN(C)C(=O)c3ccccc3Br)n2)cc1OC 12654461 AMCQOOPCVJOAIU-UHFFFAOYSA-N 432.274 3.789 0 40 IHAB O=C(OCc1cc(-c2ccco2)on1)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 12809256 JNBLIMCRYVSEOC-UHFFFAOYSA-N 434.445 3.605 0 40 IHAB CC(C)(Oc1ccc(F)cc1)C(=O)Nc1c(C(=O)N2CCOCC2)oc2ccccc12 12818487 SZPZQBVFVKBRSU-UHFFFAOYSA-N 426.444 3.840 0 40 IHAB CS(=O)(=O)N1CCCN(C(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)CC1 12946633 ZRSRCSBJBUUKBW-UHFFFAOYSA-N 443.956 3.663 0 40 IHAB Cc1ccc2[nH]c(=O)c(CN(Cc3nnnn3Cc3ccco3)C3CCCCC3)cc2c1 13065586 FXAFPQUYAFSYOD-UHFFFAOYSA-N 432.528 3.799 0 40 IHAB CCOc1ccc(NC(=O)Cn2c(=O)n(CCc3ccccc3)c(=O)c3sccc32)cc1 13533561 FQDYLWMJXSQSHF-UHFFFAOYSA-N 449.532 3.505 0 40 IHAB COc1cccc([C@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccccc2)n3C)c1OC 13567462 DQFGWVKSDARKEK-MRXNPFEDSA-N 437.521 3.564 0 40 IHAB O=C(Nc1ccccc1)N1CCC(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)CC1 14231294 VBHAYQPWMYLRCT-UHFFFAOYSA-N 440.588 3.572 0 40 IHAB CCOC(=O)CSc1nc(CN2CCOCC2)nc2scc(-c3cccs3)c12 15208976 DPZMBYZMURBSBX-UHFFFAOYSA-N 435.596 3.907 0 40 IHAB COc1cc(OC)c(OC)cc1/C=C1\N=C(c2ccc(OC(F)F)c(OC)c2)OC1=O 15264626 LZPPQTBOFCTWSE-QPEQYQDCSA-N 435.379 3.667 0 40 IHAB O=C(Nc1ccc(-n2cnnn2)cc1)c1cc(Br)c(Br)s1 15645407 UBHBWAXDMQPPFQ-UHFFFAOYSA-N 429.097 3.501 0 40 IHAB Cc1nn2c(=O)cc(CSc3ccccc3NC(=O)COc3ccccc3)nc2s1 15731957 SJYNZECHQYPPDZ-UHFFFAOYSA-N 438.534 3.769 0 40 IHAB Cc1ccc2nc(NC(=O)CCc3csc(NC(=O)c4ccc(=O)[nH]c4)n3)sc2c1 16851303 OKWHLKSLRYUOHJ-UHFFFAOYSA-N 439.522 3.573 0 40 IHAB COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCCN(C(=O)CCn3ccnc3C)C2)c1 19693919 KTYXRRYOSCQRON-FQEVSTJZSA-N 448.571 3.519 0 40 IHAB Cc1nc([C@H]2CCCN2C(=O)c2c(C)nc3c(C)cccn23)ncc1C(=O)N1CCCCC1 19756156 HQHSNNDFSKJMRA-HXUWFJFHSA-N 446.555 3.653 0 40 IHAB NC(=O)c1ccc(N2CCC(C(=O)OCc3ccccc3Oc3ccccc3)CC2)nc1 22226358 BNHZBNFHGDYIFN-UHFFFAOYSA-N 431.492 3.933 0 40 IHAB CCc1nc2sc([C@@H](c3ccc(Cl)cc3)N3CCC4(CC3)OCCO4)c(O)n2n1 22854050 PTCUYXCRZLVHDV-MRXNPFEDSA-N 434.949 3.641 0 40 IHAB CCc1nc2sc([C@H](c3cccc(C(F)(F)F)c3)N3CCN(CC)CC3)c(O)n2n1 22854466 QNNNOGWZFLRRHY-INIZCTEOSA-N 439.507 3.805 0 40 IHAB O=C(CSc1ncnc2sccc12)N1CCN(Cc2ccc(Cl)s2)CC1 23995591 JAHUUNQUBDVXLE-UHFFFAOYSA-N 425.004 3.843 0 40 IHAB C[C@@H](OC(=O)CCn1c(=O)oc2cc(Cl)ccc21)C(=O)N1CCCc2ccccc21 26413474 INEAKKJVABQGSU-CQSZACIVSA-N 428.872 3.549 0 40 IHAB Cc1nnc2n1N[C@H](c1ccc(O)cc1)[C@@H](C(=O)c1ccc(Br)cc1)S2 27525594 YAMKBEUGBMGSFH-WBVHZDCISA-N 431.315 3.697 0 40 IHAB O=C(c1ccccc1SC[C@@H]1CCCO1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 27797199 KTUDXUYXZTVYAV-IBGZPJMESA-N 440.565 3.644 0 40 IHAB O=C(CSc1nnc(Cc2cccs2)n1C1CC1)N[C@H]1CCOc2ccccc21 27977722 JHTWMBZDZVBRNL-KRWDZBQOSA-N 426.567 3.997 0 40 IHAB CCOc1ccc(COc2ccc(N3C(=O)[C@H]4[C@@H]5CC[C@@H](O5)[C@@H]4C3=O)cc2)cc1OCC 28631892 RTAQEHIFPNSBIV-MQFRRQCYSA-N 437.492 3.730 0 40 IHAB C[C@@]1(NC(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)CCS(=O)(=O)C1 30998131 YSHKIWSLJQTZAX-HXUWFJFHSA-N 432.592 3.775 0 40 IHAB O=C(CSc1nnc(-c2cccnc2)o1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 32559087 QPDDATZNCGMYRV-QGZVFWFLSA-N 438.509 3.749 0 40 IHAB O=C1CSc2sc3c(=O)n(C[C@@H](c4ccccc4)N4CCCCC4)cnc3c2N1 32624519 VCBATQVTWJOUOS-HNNXBMFYSA-N 426.567 3.729 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2nc(-c3ccc(OC)cc3)no2)cc1 32759422 UXBGARNZDCRNDD-MRXNPFEDSA-N 444.557 3.627 0 40 IHAB COCCCn1c(SCc2nc(C(C)(C)C)no2)nc2sc3c(c2c1=O)CCC3 32760701 OWDWVAWKWVIQIV-UHFFFAOYSA-N 434.587 3.956 0 40 IHAB COCC(=O)Nc1cccc(NC(=O)c2cnn(-c3ccc(Br)cc3)c2C)c1 32769467 AKGIVSNGZQUGRA-UHFFFAOYSA-N 443.301 3.780 0 40 IHAB CCOC(=O)Nc1ccc(C(=O)OCC(=O)c2c(C(=O)OC)c(C)n(C3CC3)c2C)cc1 32830329 VIJIVPGZTJTQTA-UHFFFAOYSA-N 442.468 3.835 0 40 IHAB O=C(OCCOc1ccccc1F)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 32910231 LOMNLLGSKPZQOC-UHFFFAOYSA-N 441.908 3.890 0 40 IHAB O=C(C1=C(c2ccccc2)S(=O)(=O)CCO1)N(Cc1ccco1)Cc1ccccc1F 35673210 MYBUTLXUANKYKT-UHFFFAOYSA-N 441.480 3.761 0 40 IHAB Cc1ccc(CNC(=O)CSc2nnc3c4cc(-c5ccccc5)nn4ccn23)cc1 38486985 VVBZGPXVYNDZBK-UHFFFAOYSA-N 428.521 3.761 0 40 IHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 39741766 GDXROILLVWVDIC-UHFFFAOYSA-N 446.931 3.995 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccnn3C3CCCCC3)C2)s1 40047652 YKQXXWKCCVUNNE-INIZCTEOSA-N 436.603 3.798 0 40 IHAB Cc1nc2nc3ccn(-c4nc(C5CCCCC5)n[nH]4)c(=O)c3c(-c3ccc(F)cc3)n2n1 40398582 KWIIUKRFEFLHTK-UHFFFAOYSA-N 444.474 3.709 0 40 IHAB O=C(Nc1ccc(Br)cn1)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 59251002 YPJSTGQKKPPJDT-JTQLQIEISA-N 439.107 3.598 0 40 IHAB Cc1cc(Oc2ncccn2)ccc1NC(=O)c1cccnc1S(=O)(=O)C(F)(F)F 60246647 KMSUCNLOOKZOOB-UHFFFAOYSA-N 438.387 3.518 0 40 IHAB COc1ccc(Cl)cc1NC(=O)Cn1nnc(C(=O)Nc2cccc(C)c2C)c1C 67322181 MGAZXKYOFKWLBE-UHFFFAOYSA-N 427.892 3.756 0 40 IHAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)CCc1cn(C)nc1C)CC2 72285390 AFBULGBWWDQPOL-HSZRJFAPSA-N 425.554 3.914 0 40 IHAB COCCNC(=O)c1sc2ccccc2c1C[C@H]1CCCCN1Cc1cn(C)nc1C 72370559 LBDJBTPINQEPAT-LJQANCHMSA-N 440.613 3.917 0 40 IHAB Cc1nc(CCc2nc3ccccc3[nH]2)cc(N[C@@H](CN2CCOCC2)c2ccccc2)n1 72373368 URAFYSMVNNCCPE-DEOSSOPVSA-N 442.567 3.932 0 40 IHAB CCCn1ncc(CN2CCC(C[C@H]3CC(c4ccccc4F)=NO3)(C(=O)O)CC2)c1C 72389710 BLRJYTLYXKKMPP-LJQANCHMSA-N 442.535 3.991 0 40 IHAB CN(Cc1ncc(-c2cccc(Br)c2)o1)[C@H]1CCCC[C@@H]1S(C)(=O)=O 78969773 VGPMBGLFJOPDLY-RDJZCZTQSA-N 427.364 3.892 0 40 IHAB CCOC(=O)c1c(NC(=O)CCN[C@@H](C(N)=O)[C@H](C)CC)sc(C)c1-c1ccccc1 89942172 SXQNIIMZCNPLJO-JLTOFOAXSA-N 445.585 3.718 0 40 IHAB Cc1cccnc1NC(=O)[C@H]1CCCN(C(=O)CC2(C(F)(F)F)SCCS2)C1 95449097 GVZGYDUAXMUFLC-ZDUSSCGKSA-N 433.521 3.696 0 40 IHAB CCN(CC)C[C@H]1CCCC[C@H]1NCc1nnc(C(=O)NCc2ccc(C)cc2)s1 95946108 AMJMOUZGVXPIDZ-WOJBJXKFSA-N 429.634 3.767 0 40 IHAB COc1ccc([C@@H]2SCC(=O)Nc3c2c(O)nn3[C@@H]2CCOC(C)(C)C2)cc1OC 96116704 IXCIPJWUUATRFN-ACJLOTCBSA-N 433.530 3.511 0 40 IHAB COc1cccc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)c1OC(C)C 96475521 GXTBCIBJANTGBZ-BOPFTXTBSA-N 443.887 3.667 0 40 IHAB CC1(C)[C@@H]2CC[C@]1(CS(=O)(=O)N1CCN(c3cc(Cl)ccc3Cl)CC1)C(=O)C2 100196794 SXEPUCNUHGLCHC-VLIAUNLRSA-N 445.412 3.841 0 40 IHAB COc1ccc(C)cc1N([C@H](C)C(=O)Nc1cccc(Br)c1)S(C)(=O)=O 220327150 NMSXIZKKKCJTBN-CYBMUJFWSA-N 441.347 3.559 0 40 IHAB CCCCNS(=O)(=O)c1ccc(OCC(=O)N(C)Cc2ccccc2F)c(Cl)c1 222840642 JVZJPBPGEPGISZ-UHFFFAOYSA-N 442.940 3.595 0 40 IHAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1C(C)C 223180025 JNJLZLDDQLLJLD-XZOQPEGZSA-N 441.645 3.776 0 40 IHAB Cc1ccc(N(CC(=O)NCCOc2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1 223464688 PSIGOULIEVBMNQ-UHFFFAOYSA-N 438.549 3.694 0 40 IHAB COc1ccc(CNC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)c(OC)c1 224080294 BHXQNJMFGIVRPZ-UHFFFAOYSA-N 444.484 3.574 0 40 IHAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCCc3ccco3)cc2C)cc1 224226866 QKEXBEMWWIHTKK-UHFFFAOYSA-N 442.537 3.784 0 40 IHAB CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(OC)cc1 224878436 GJXVRHRWFRSQEX-HSZRJFAPSA-N 442.556 3.662 0 40 IHAB O=C(NC1CCCC1)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2CC3)sc2c1CCC2 225765097 OWWBZGDRILUOGN-GGNLRSJOSA-N 428.554 3.761 0 40 IHAB Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@]4(C(=O)Nc5c(C)cc(Cl)cc54)[C@@H]3C2=O)c(C)c1 230074093 SFGQGXXDKSJPDS-ZDQHKECQSA-N 449.938 3.696 0 40 IHAB CC1(C)[C@H](NC(=O)CCO)[C@@]23CCO[C@H](c4ccc(Oc5ncccn5)cc4)[C@H]2C[C@@H]1C3 257208317 BLRGBLYBQXNLBK-QBJNZZKDSA-N 437.540 3.650 0 40 IHAB CNc1cc([C@H]2CCCN2C(=O)C2(Cc3ccccc3F)CCN(C(C)=O)CC2)ccn1 257247056 IXFBCFCSUBEPHN-JOCHJYFZSA-N 438.547 3.797 0 40 IHAB Cc1ccc(Nc2cc(C)nc([C@H]3CCCN(S(=O)(=O)c4cn(C)cn4)C3)c2)cc1 257292861 QNFZIZGCZBIPMX-SFHVURJKSA-N 425.558 3.744 0 40 IHAB CC[C@H](O)Cn1nc(-c2cc(CC(=O)O)ccc2OC)cc1-c1cccc(OC)c1OC 257320557 VXIPQRRURSFSBP-INIZCTEOSA-N 440.496 3.641 0 40 IHAB CCOc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1S(=O)(=O)N1CCCC1 408698493 QFWPKXAQGXLALA-UHFFFAOYSA-N 426.897 3.915 0 40 IHAB O=C(O)c1ccc(N2Cc3cc4c(cc3C2)CN(c2ccc(C(=O)O)c(O)c2)C4)cc1O 408731816 PZUQDHGFNVUCOG-UHFFFAOYSA-N 432.432 3.535 0 40 IHAB Nn1c(SCC(=O)Nc2ccc(Cl)c(Br)c2)nnc1-c1ccccc1 409170019 SKNHOWNRKSLSRZ-UHFFFAOYSA-N 438.738 3.806 0 40 IHAB O=C(NC[C@@H](O)c1ccc(-c2ccco2)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 585148196 YRPYXFMNFKSMHG-QGZVFWFLSA-N 434.370 3.634 0 40 IHAB Cc1nc(-c2ccc(C(=O)N3C[C@H]4CC[C@H]3[C@H]3CN(Cc5ccccc5)C[C@@H]43)cc2)n[nH]1 656419114 SWVNXCCGCVRFKY-SBFWRKJZSA-N 427.552 3.763 0 40 IHAB O=C(C[C@@]1(COc2ccccc2)CCCN(C(=O)CCC2CCCC2)C1)N1CCOCC1 2037905425 CXVRMSXHUPPRDY-SANMLTNESA-N 442.600 3.894 0 40 IHAB Cc1cc(C)c2cc(CN(Cc3cccnc3)Cc3nnnn3C3CCCC3)c(=O)[nH]c2c1 927316 XCVGOSUKFRUJQL-UHFFFAOYSA-N 443.555 3.844 0 40 IHAB Cc1ccc(NC(=O)CN(C)C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)cc1 2661779 LWNBEMMCIHJYOV-UHFFFAOYSA-N 430.917 3.888 0 40 IHAB Nn1c(Cc2cccc3ccccc23)nnc1SCC(=O)Nc1ccc(F)c(F)c1F 3333039 PNAWHJBHUVLDOP-UHFFFAOYSA-N 443.454 3.884 0 40 IHAB Nn1c(SCC(=O)Nc2ccccc2Br)nnc1-c1ccccc1Cl 8647434 VVWNIZJGLCIAAK-UHFFFAOYSA-N 438.738 3.806 0 40 IHAB CN1O[C@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@H]1c1coc2ccccc2c1=O 8925823 ADZJARQMKWNYLU-ZHALLVOQSA-N 445.258 3.576 0 40 IHAB COc1cccc(C[C@H](CC(=O)O)C(=O)Nc2ccccc2I)c1 8935159 RGLWXRHYFGHMGY-CYBMUJFWSA-N 439.249 3.572 0 40 IHAB O=C(CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)Nc1ccc(F)c(Cl)c1 9047341 RJMCWFKUAWYNLG-IBGZPJMESA-N 442.878 3.842 0 40 IHAB COc1ccc(NC(=O)[C@@H]2Sc3nnc(C)n3N[C@@H]2c2ccc(OC)c(Cl)c2)cc1 9238633 BKCSINXPPDCJJA-QZTJIDSGSA-N 445.932 3.655 0 40 IHAB CCOc1ccc(NC(=O)[C@H]2Sc3nnc(CC)n3N[C@H]2c2ccc(F)cc2)cc1 9239316 KHBYPWIZBOQYLB-OALUTQOASA-N 427.505 3.776 0 40 IHAB COc1ccc(OC)c(NC(=O)CSc2nnc(COc3ccc(C)cc3C)n2C)c1 9263076 XQKBAJWFIHKGSK-UHFFFAOYSA-N 442.541 3.759 0 40 IHAB Cc1nnc(NC(=O)CSc2nnc(COc3ccccc3)n2-c2ccccc2)s1 9265013 DKEWOPNFQQCNJO-UHFFFAOYSA-N 438.538 3.737 0 40 IHAB Cn1c(=O)c2c(-c3ccccc3)n(-c3ccc(NC(=O)c4ccco4)cc3)cc2n(C)c1=O 9348381 GVQFTHPNIQMPRT-UHFFFAOYSA-N 440.459 3.540 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1C(C)C 9356449 XSOSZFQVBOLZNB-INIZCTEOSA-N 432.542 3.528 0 40 IHAB Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc(N4CCCC4=O)cc3)o2)c1 9375907 SGDUHAJGMBQSDO-UHFFFAOYSA-N 438.509 3.815 0 40 IHAB Clc1ccc(OCc2nn3c(Cn4nnc5ccccc54)nnc3s2)c(Cl)c1 9488306 RPSUDOBJMXRLGC-UHFFFAOYSA-N 432.296 3.865 0 40 IHAB CN(Cc1ccc2c(c1)OCCO2)C(=O)COc1ccccc1C(=O)Nc1ccccc1 9549521 GXMAUZJDINRUTK-UHFFFAOYSA-N 432.476 3.748 0 40 IHAB CCS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 9707765 ALKUMYOGZACHKY-UHFFFAOYSA-N 430.507 3.627 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2cccs2)CCC3)cc1 9708672 DHDPYMYHOODPNH-UHFFFAOYSA-N 448.591 3.999 0 40 IHAB Cn1c(SCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)nnc1-c1ccccc1 9782959 GOTXORFNALQZGQ-SFHVURJKSA-N 436.537 3.709 0 40 IHAB O=C(NCc1cccs1)C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1 10220738 ODWABULNQGEZSU-UHFFFAOYSA-N 425.535 3.658 0 40 IHAB COc1cccc(CNC(=O)C(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccs2)c1 10220740 GVYFYAZLTSEGDP-UHFFFAOYSA-N 449.532 3.605 0 40 IHAB C[C@H]1Cc2ccccc2N1C(=O)CSc1nnc(N2CCCCC2)n1Cc1ccco1 11484314 MGRCPPQEDJHOLA-KRWDZBQOSA-N 437.569 3.980 0 40 IHAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(N2C(=O)CCS2(=O)=O)ccc1Cl 12004121 FVORCEJPSNENAI-UHFFFAOYSA-N 432.807 3.678 0 40 IHAB C[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)c1ccc(F)c(F)c1 12767701 PXOPINKFSWDPOL-GFCCVEGCSA-N 427.428 3.833 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 12770456 QVBTUCIDOOMMAQ-KRWDZBQOSA-N 428.432 3.685 0 40 IHAB COc1cccc([C@H](CNC(=O)[C@@H](NC(=O)c2ccc(F)cc2)C(C)C)N2CCCC2)c1 12781623 PSVKQBNKSJAMTB-GOTSBHOMSA-N 441.547 3.542 0 40 IHAB O=C(CSc1nc(-c2ccncc2)n[nH]1)N1CCC[C@@H](c2nc3ccccc3s2)C1 12862546 HBQHWEFTARHPMM-OAHLLOKOSA-N 436.566 3.975 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)c2ccccc2O3)c(OC)c1 13006617 AHAXBBPOLMVKQS-UHFFFAOYSA-N 440.477 3.887 0 40 IHAB O=C(C[C@@H]1SC(NC2CC2)=NC1=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 13102145 ADGSHQWNLTUDRG-KRWDZBQOSA-N 427.913 3.650 0 40 IHAB COc1ccc(OC[C@H](O)CN2CCN(c3ccc(C(C)=O)cc3)CC2)c(C(C)(C)C)c1 13145920 HUNSFKVPFRDKDJ-JOCHJYFZSA-N 440.584 3.757 0 40 IHAB CC[C@@H](C(=O)NCCSCc1ccccc1)N(c1cccc(Cl)c1)S(C)(=O)=O 13712143 CSBNFLYZMUOBEB-IBGZPJMESA-N 441.018 3.934 0 40 IHAB COc1ccc(N(CC(=O)Nc2cccc(F)c2)S(=O)(=O)c2ccc(C)cc2)cc1 15315235 ZLWFKYPMWRHWOZ-UHFFFAOYSA-N 428.485 3.977 0 40 IHAB O=C(c1cc2c(s1)CCCCC2)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 16015803 KMXXOJGOIFHVFB-UHFFFAOYSA-N 445.031 3.879 0 40 IHAB NC(=O)C1CCN(Cc2cc(Br)cc3c2O[C@H](c2ccccc2)OC3)CC1 16694675 MQVFELQTVYSHDD-OAQYLSRUSA-N 431.330 3.754 0 40 IHAB CCOc1cc(/C=c2\sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)ccc1OC(C)=O 16735411 DVJINECSIVVLHV-YVUMUJEDSA-N 447.516 3.502 0 40 IHAB CCOc1ccccc1C(=O)Nc1cc(C)nn1-c1ncnc2c1cnn2-c1ccccc1 17315851 MCJGXJBNIAXGLL-UHFFFAOYSA-N 439.479 3.961 0 40 IHAB COc1ccc(NC(=O)CN2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1 18020569 BJYIMQPZJLUZFU-XIGIHCPSSA-N 438.483 3.526 0 40 IHAB CC(C)C(=O)N1CCC(c2nc(O)cc([C@@H]3CCCN(C(=O)C4CCCCC4)C3)n2)CC1 19085269 KJTVYGLHPMVMBU-HXUWFJFHSA-N 442.604 3.831 0 40 IHAB CCC(=O)N1CCCc2cc([C@@H](O)CN3CCC(O)(c4ccccc4F)CC3)ccc21 19498875 WTBUUBFQOCYMHU-QHCPKHFHSA-N 426.532 3.532 0 40 IHAB CNc1cc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(CN(C)Cc2ccc(F)cc2)n1 19697382 IOPWCEITPXGIGI-QGZVFWFLSA-N 437.494 3.949 0 40 IHAB CC(=O)N[C@H]1C[C@@H](c2cccc(NC(=O)c3cc4nc(C)cc(C)n4n3)c2)O[C@@H](C(C)C)C1 19712226 XJWQXXMJCOJXJN-MZYLBHOOSA-N 449.555 3.979 0 40 IHAB Nc1nc(C2CCN(C(=O)CCc3ccc(F)cc3)CC2)ccc1C(=O)NC1CCCC1 19753989 VXQLNRZRQOFXNK-UHFFFAOYSA-N 438.547 3.814 0 40 IHAB Cc1cccc(C)c1NC(=O)CSc1ncc2c(n1)-c1ccccc1N(C)S2(=O)=O 20582717 RFUNQLYMTIQHEI-UHFFFAOYSA-N 440.550 3.630 0 40 IHAB CSc1ccccc1NC(=O)C(=O)NC[C@H](c1cccn1C)N1CCc2ccccc2C1 21155621 QZMJVVORTROZLM-JOCHJYFZSA-N 448.592 3.601 0 40 IHAB Cc1nc(SCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)n(C[C@@H]2CCCO2)c1C 21568740 OKZPARUNHCZNGB-HJGBXLFDSA-N 446.617 3.566 0 40 IHAB CCCn1cnc2nc(CSc3ccccc3NC(=O)c3ccccc3F)cc(=O)n21 21797308 MFPKGJSREMCEGM-UHFFFAOYSA-N 437.500 3.985 0 40 IHAB COc1ccc(NC(=O)COc2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1 22231163 RLNFPEYVFIOHKU-UHFFFAOYSA-N 440.521 3.679 0 40 IHAB CC(C)c1noc2ncc(C(=O)N3CCC(C(=O)c4ccc5c(c4)OCCO5)CC3)cc12 23041542 IIWQGBVAPGECHW-UHFFFAOYSA-N 435.480 3.853 0 40 IHAB CCC(C)(C)C1CCC2(CC1)NC(=O)N(CN1CCN(c3cccc(C)c3)CC1)C2=O 24601025 CNFXLUSQWUMMAO-UHFFFAOYSA-N 426.605 3.992 0 40 IHAB Cc1cccc(-c2nnc(S)n2CC(=O)NC[C@H](c2ccccc2Cl)N(C)C)c1 24987635 NNMWGUOZNTZJDC-GOSISDBHSA-N 429.977 3.615 0 40 IHAB O=C(Nc1cc(Cl)ccc1-n1cncn1)C1CCN(C(=O)c2ccc(F)cc2F)CC1 25128523 KTAWRPWKNMRAMZ-UHFFFAOYSA-N 445.857 3.690 0 40 IHAB COc1ccc(Br)c(C(=O)O[C@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)c1 28829971 KTUWSIQBULRXDJ-LLVKDONJSA-N 435.274 3.600 0 40 IHAB CCOC(=O)c1c(COC(=O)CCn2ncc(=O)c3ccccc32)nc2ccccc2c1C 32836007 RUJPKSRJYOHBRJ-UHFFFAOYSA-N 445.475 3.563 0 40 IHAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnc(NC(=O)c2ccccc2F)s1 35314046 ITIVJHWJAGBLGV-GFCCVEGCSA-N 428.514 3.999 0 40 IHAB CC(=O)[C@@H]1[C@H](C(=O)c2ccncc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(C)ccc3N12 35780958 WXVQQCGVNGJNII-PAHOUZJPSA-N 449.510 3.952 0 40 IHAB biogenic CC(=O)c1cccc(NC(=O)CSc2nnc3c4cc(-c5ccccc5)nn4ccn23)c1 38486961 BTRWSOKRTPQRFT-UHFFFAOYSA-N 442.504 3.977 0 40 IHAB CCOc1ccc([C@H](C)NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCC3)c2)cc1 38754343 VKTSXMUMNNWFGY-KRWDZBQOSA-N 446.569 3.760 0 40 IHAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)c1 40042951 DFZOWANMXPUXIH-UHFFFAOYSA-N 438.553 3.523 0 40 IHAB CCc1c(C)sc2nc3n(CCN(C)C)nc(SCc4ccccc4)n3c(=O)c12 40288032 MSEUAJVLGTZLPW-UHFFFAOYSA-N 427.599 3.830 0 40 IHAB COCc1nn2c(C)c(C(=O)Nc3cccc(C)c3)nnc2c1-c1ccc(OC)c(OC)c1 40372654 LPSSDVONNWLGEF-UHFFFAOYSA-N 447.495 3.824 0 40 IHAB O=C(O)[C@H](Cc1ccccc1)n1ccc2c(nnc3c(-c4ccc(Cl)cc4)cnn32)c1=O 40392443 NVDJSCOTWKEPQP-IBGZPJMESA-N 445.866 3.628 0 40 IHAB CCCCc1cc(=O)oc2cc(OCC(=O)NC[C@@H]3CCCN4CCCC[C@@H]34)ccc12 43746939 VURQDAYVZPVYMN-UGKGYDQZSA-N 426.557 3.895 0 40 IHAB biogenic Cc1ccc(C)c(S(=O)(=O)C2(C(=O)Nc3cc(S(C)(=O)=O)ccc3C)CCCC2)c1 45344427 LFJDDNNUJSDUCN-UHFFFAOYSA-N 449.594 3.741 0 40 IHAB O=C(NC[C@@H](c1cccs1)N1CCOCC1)Nc1ccc2c(c1)OC1(CCCC1)O2 48325063 BJOWECKVWFENQK-KRWDZBQOSA-N 429.542 3.985 0 40 IHAB CCc1ccc([C@H]2NC(=O)NC(CN3CCC(Cc4ccccc4)CC3)=C2C(=O)OC)cc1 57415155 PQRSQJSSGCSWLR-RUZDIDTESA-N 447.579 3.985 0 40 IHAB COCCn1c(SCC(=O)Nc2ccc(F)cc2Cl)nc2ccsc2c1=O 57425872 GNYYLHPEIRAQNN-UHFFFAOYSA-N 427.910 3.628 0 40 IHAB COc1ccccc1OCCN1C(=O)[C@@](O)(CC(=O)c2ccc(C)cc2)c2ccccc21 68713306 WOHVPHFJPOPMCF-AREMUKBSSA-N 431.488 3.890 0 40 IHAB COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc3[nH]c(=O)[nH]c3c2)cc1Cl 72301181 XLSUNJVNLSOYTB-UHFFFAOYSA-N 443.912 3.914 0 40 IHAB COCCOc1cccc(CN2CCN(C)C(=O)[C@@H]2Cc2ccc(-c3ccncc3)cc2)c1 72351842 TVSUOPNKRLCXDN-SANMLTNESA-N 445.563 3.659 0 40 IHAB Cc1nc([C@@H]2CCCN2C(=O)c2cnn(C)c2C)nc2c1CCCN2CCc1ccccc1 72372892 ZBSGDAHMQXJMOP-QHCPKHFHSA-N 444.583 3.800 0 40 IHAB C[C@H]1[C@@H](C(F)(F)F)OC(=O)N1c1ncccc1NS(=O)(=O)c1cccc(Cl)c1 84678328 PEZSDRFLJGUZJN-ZANVPECISA-N 435.811 3.812 0 40 IHAB CCn1cnnc1C1CCN(CC(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)CC1 89310067 WOJZIAATSHAWFJ-UHFFFAOYSA-N 447.587 3.959 0 40 IHAB C[C@@H](CC(=O)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)c1ccccc1 89894526 SIWNXXBISAXXON-INIZCTEOSA-N 440.487 3.732 0 40 IHAB CSc1nc2ccc(NC(=O)c3ccccc3C(=O)N3CCN(C)CC3)cc2s1 96562568 BCHVFKPCZZUKIL-UHFFFAOYSA-N 426.567 3.658 0 40 IHAB COC(=O)[C@@H](CCSC)NC(=O)Cn1ccc2cc(OCc3ccccc3)ccc21 98041248 DEKMYYBWDNWYPT-HXUWFJFHSA-N 426.538 3.631 0 40 IHAB CCOc1ccccc1CNC(=O)C1CCN(S(=O)(=O)c2ccc(SC)cc2)CC1 113955927 YQOUPPNDNRDFEG-UHFFFAOYSA-N 448.610 3.524 0 40 IHAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)OC(C)=O)[C@@]4(C)CC(=O)[C@@]32O)C1 123204899 BTCDWECIWQGRNF-OGVHPJKDSA-N 434.573 3.823 0 40 IHAB COc1ccc(S(=O)(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)cc1N1CCCC1=O 219229140 XCTMAPDWWIPGRS-SFHVURJKSA-N 444.553 3.711 0 40 IHAB CCOc1ccc(CCC(=O)NCc2nc(-c3cccc(OC)c3)no2)cc1OCC 219280440 PIJVTULEQLPFSS-UHFFFAOYSA-N 425.485 3.792 0 40 IHAB CCOC(=O)c1cccc(NC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)c1 219632588 BVKSUPLMZDLZRR-UHFFFAOYSA-N 438.933 3.702 0 40 IHAB CCOc1cccc(NC(=O)[C@@H](C)N(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1 220201437 WKWVLTZVEQKXNM-CYBMUJFWSA-N 430.448 3.897 0 40 IHAB COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(N(C)C)cc1 223063920 GPYYAEXIBBRPLK-DHIUTWEWSA-N 435.597 3.947 0 40 IHAB CC(C)c1ccccc1OCCNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 223799329 VDEQDFRVAPJEJM-UHFFFAOYSA-N 430.570 3.793 0 40 IHAB CCOc1ccc(CN(C)S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCC3)c2)cc1 223873677 PDCJKZPLGCGILU-UHFFFAOYSA-N 446.569 3.541 0 40 IHAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(OC)cc1 223989822 KNCBTVZQGIHBPO-QHCPKHFHSA-N 442.556 3.806 0 40 IHAB COc1cccc(CN(C(=O)COc2ccccc2OC)[C@H](C)C(=O)NC2CCCC2)c1 224014664 RQFCRKFSRGNLCU-GOSISDBHSA-N 440.540 3.559 0 40 IHAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)Nc3ccccc3OC)cc2)cc1 224437804 NWBRDVBJAHAEEC-UHFFFAOYSA-N 440.521 3.777 0 40 IHAB CCSc1nnc(NC(=O)[C@@H](CC)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)s1 224874850 MLIQIUCCZWCYCC-CYBMUJFWSA-N 449.023 3.795 0 40 IHAB CC[C@@H](NS(=O)(=O)c1nnc(NC(=O)c2ccc(C)cc2)s1)c1ccc(OC)cc1 225321957 WGDQNNUJIOPPQO-QGZVFWFLSA-N 446.554 3.537 0 40 IHAB CSc1nnc(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccc(C)cc2)s1 225446734 CMVKPNQNTZCXOB-UHFFFAOYSA-N 434.568 3.646 0 40 IHAB COc1ccc(OC)c([C@@H](C)NC(=O)CCCN(c2cc(C)ccc2C)S(C)(=O)=O)c1 225612746 WBVQANAGFRFCJG-GOSISDBHSA-N 448.585 3.744 0 40 IHAB CCCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2CCC 225727366 FODOJBBQDIYSOM-UHFFFAOYSA-N 447.582 3.804 0 40 IHAB CCn1ncc(S(=O)(=O)N2[C@H]3CC[C@@H](C3)[C@@H]2COc2cccc(C(F)(F)F)c2)c1C 253478141 JKCFMHKYXRRNTE-ZVZYQTTQSA-N 443.491 3.851 0 40 IHAB COc1ccc(NC(=O)CN2CC[C@](C)(O)[C@@H](Oc3cccc(Cl)c3)C2)cc1Cl 257204593 AVJDIVXVANDTBY-FPOVZHCZSA-N 439.339 3.845 0 40 IHAB COc1ccccc1CNC(=O)CN1CCC[C@](COc2ccc(C)cc2)(OC)CC1 257237402 HGGWGNYWOPFNMT-VWLOTQADSA-N 426.557 3.570 0 40 IHAB CCN1CCN(C(=O)CC2(O)CCCCC2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O 257257125 KODOEJVJJZSUND-HSZRJFAPSA-N 449.595 3.683 0 40 IHAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2c(Cl)cccc2Cl)cc1Cl 408553737 QHGPXRBQHBTVHF-SECBINFHSA-N 437.732 3.961 0 40 IHAB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 408605839 NRHLCBXQHRQSSO-MRXNPFEDSA-N 426.494 3.793 0 40 IHAB O=C(NCc1ccccc1)c1ccccc1NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 408614379 BOSJCBUQQWZPQX-NRFANRHFSA-N 427.504 3.604 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 408619079 LUIPIACDDZJPRG-UHFFFAOYSA-N 432.542 3.665 0 40 IHAB Cc1cccc(C)c1NC(=O)COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C)C=CC[C@H]3C2=O)cc1 408668663 VJHFYPOUNAVPBX-GNSUPJDDSA-N 446.503 3.801 0 40 IHAB CCCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(Br)cc2)cc1 409269050 DHBOPPHFYZWHOI-UHFFFAOYSA-N 425.348 3.709 0 40 IHAB Cc1ccc(N([C@@H](C)C(=O)NCCSc2ccc(Cl)cc2)S(C)(=O)=O)cc1 409409933 KBVLHDSCBQQVST-HNNXBMFYSA-N 426.991 3.711 0 40 IHAB CCC(=O)N1CC[C@H](c2cc3nc(C)c(CCC(=O)N4C[C@@H](C)C[C@@H](C)C4)c(C)n3n2)C1 409412898 HCKRMXYKBXGGGX-QKLQHJQFSA-N 439.604 3.509 0 40 IHAB Cc1ncccc1C(=O)N1CCCCC2(CO)CCN(CC2)Cc2ccccc2OCC1 643578555 GIOMAJPBEWYTBN-UHFFFAOYSA-N 437.584 3.670 0 40 IHAB C[C@@H]1CN(C(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccc(F)cc2)C[C@@H](C)O1 3370294 BFZGQKWDVSFDEN-HUUCEWRRSA-N 444.507 3.940 0 40 IHAB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)NC[C@H]1CCCO1 3412962 JBEZRQFSXJSXJN-MRXNPFEDSA-N 432.933 3.627 0 40 IHAB CC1CCN(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)cc2)C3=O)CC1 3500021 QGUVDKKPMVFVAC-UHFFFAOYSA-N 440.883 3.556 0 40 IHAB O=C(COC(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1)c1ccccc1 3526011 OOKXIQPBFBELRH-UHFFFAOYSA-N 435.501 3.868 0 40 IHAB COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)N[C@@H](C)N1C(=O)[C@H]2CCCC[C@H]2C1=O 4680410 GQKYRYULAUMKPA-NXHRZFHOSA-N 425.529 3.928 0 40 IHAB COc1ccc(OC)c(NC(=O)Cn2nc(-c3cccs3)c3sc(C)nc3c2=O)c1 8955995 SIBJMNCWROVYBF-UHFFFAOYSA-N 442.522 3.546 0 40 IHAB COc1ccc(C(=O)C[C@]2(O)C(=O)N(CCOc3ccccc3)c3ccccc32)cc1OC 8990525 ASDYZCUDUJIBFQ-AREMUKBSSA-N 447.487 3.590 0 40 IHAB CC(C)c1ccc(CCNC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1 9244804 XPDXHSZUHMRCKX-UHFFFAOYSA-N 426.538 3.854 0 40 IHAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1cccc(-n3cnnn3)c1)CC2 9254848 SQAJYPUQJXXKKP-JOCHJYFZSA-N 447.520 3.529 0 40 IHAB O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)Nc1ccc(C(F)(F)F)cc1 9507588 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O=C(C[C@@H]1NC(=O)N(C2CCCCC2)C1=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 12375159 IHYXJBXCWJLHNY-KRWDZBQOSA-N 427.501 3.700 0 40 IHAB O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(c2ccc(-c3ccco3)nn2)CC1 12443528 IVDLREGLIKKOBR-UHFFFAOYSA-N 439.324 3.554 0 40 IHAB CC(C)CNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCC1CCCC1 12527089 HQKABXVGKXXDOI-UHFFFAOYSA-N 437.606 3.684 0 40 IHAB COc1cc(CC(=O)N[C@H](c2ccc(Cl)cc2)c2nccn2C)cc(OC)c1OC 12540897 ZUIRBZGKBFICKW-HXUWFJFHSA-N 429.904 3.548 0 40 IHAB O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1cc2c(s1)CCCC2 12564070 YSWPLEPAAGQXAS-UHFFFAOYSA-N 440.974 3.554 0 40 IHAB O=C1C(=O)N(Cc2cn(-c3ccccc3)nc2-c2ccccc2)C(=O)N1Cc1ccco1 12768957 CQYBDUGIGOPQJW-UHFFFAOYSA-N 426.432 3.623 0 40 IHAB CC[C@H](C)[C@@H](CO)NC(=O)CCc1c(C)c2c(OC)cc3c(c2oc1=O)CCC(C)(C)O3 12892957 POLIAQSFAVJGDE-KBXCAEBGSA-N 445.556 3.669 0 40 IHAB biogenic O=C(CCc1nc(-c2ccc(Cl)cc2)no1)N1CCC(C(=O)N2CCCCCC2)CC1 12904564 DFGTXRLRMKWRFR-UHFFFAOYSA-N 444.963 3.964 0 40 IHAB COc1ccc(NC(=O)c2nnc(CSc3nc(CC4CCCC4)n[nH]3)s2)cc1 12908579 GZSGFWMYFIXHMN-UHFFFAOYSA-N 430.559 3.942 0 40 IHAB O=C(CCNS(=O)(=O)c1ccc(Cl)nc1)N[C@@H](Cc1ccccc1)c1ccccc1 12994122 HWYOQUXUUPPTNJ-FQEVSTJZSA-N 443.956 3.504 0 40 IHAB Cc1csc2nc(COC(=O)C[C@H](NC(=O)c3ccccc3)c3ccccc3)cc(=O)n12 13013127 YAHQRIUWPUUIPA-FQEVSTJZSA-N 447.516 3.669 0 40 IHAB COc1cccc(N2CCN([C@H](c3ccc(F)cc3)c3nnnn3C3CCCC3)CC2)c1 13503857 BTNXDIGWNJMBOJ-HSZRJFAPSA-N 436.535 3.848 0 40 IHAB COc1ccc(OCc2nnc(SCC(=O)Nc3ccc(F)c(Cl)c3)n2C)cc1 13845127 PYBNZBSSBFCJGW-UHFFFAOYSA-N 436.896 3.926 0 40 IHAB C[C@@H]1C[C@@H](C)CN(C(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)C1 14183950 GJFKEZLMYJMSEC-ZIAGYGMSSA-N 433.401 3.899 0 40 IHAB Cc1nc(N2CCC[C@@H](C(=O)N3CCOCC3)C2)c2c(-c3cccs3)csc2n1 14190412 WRPDQCZHDVFBBZ-OAHLLOKOSA-N 428.583 3.803 0 40 IHAB CCOC(=O)c1c(NC(=O)c2ccc(-n3nnnc3SC)cc2)sc2c1CCCC2 15869104 VTULZQUGHCZXKA-UHFFFAOYSA-N 443.554 3.754 0 40 IHAB O=C(c1ccc(S(=O)(=O)c2ccccc2)nc1)N1CCN(c2cccc(Cl)c2)CC1 16841424 LXILSTGPEUCKQF-UHFFFAOYSA-N 441.940 3.530 0 40 IHAB O=c1c2sccc2nc(SCc2nc(-c3ccc4c(c3)OCO4)no2)n1C1CC1 16843342 HGEOWUZDGUXTGG-UHFFFAOYSA-N 426.479 3.864 0 40 IHAB CCOC(=O)N1CCN(C(=O)CCc2csc3nc(-c4ccc(Cl)cc4)cn23)CC1 16848926 OFBHXLDQOIOEPU-UHFFFAOYSA-N 446.960 3.950 0 40 IHAB Cc1ccccc1N1CCN(Cc2ccc(C(=O)N[C@@H](C)c3cccs3)c(=O)[nH]2)CC1 19228513 VZQCRASOUPRWDP-SFHVURJKSA-N 436.581 3.558 0 40 IHAB CCc1[nH]c(=O)c(C(=O)N2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccncc2)cc1C 19521448 FMGKQNWUEOVWTQ-NRFANRHFSA-N 446.555 3.531 0 40 IHAB COc1ccc(CN2CCC([C@@H]3C[C@@H](C(=O)Nc4ccc(OC)cc4)CN3C)CC2)cc1 19587669 LPNRMLKFLUZTBF-BWKNWUBXSA-N 437.584 3.875 0 40 IHAB O=C(CN1CCOCC1)N1CCC[C@H](c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)C1 19688339 APTXROMUTLEKBV-FQEVSTJZSA-N 447.501 3.729 0 40 IHAB CCN(C(=O)c1nonc1N)[C@H]1CCO[C@@H](c2ccc(-c3cc(F)cc(F)c3)cc2)C1 19711982 UMUMUBBFYRGKOJ-RBUKOAKNSA-N 428.439 3.979 0 40 IHAB Cc1nc(N)c2ccc([C@H]3CCCN(C(=O)c4cc(-c5ccc(F)cc5)no4)C3)nc2n1 19743384 DITICSAOWLMRAM-HNNXBMFYSA-N 432.459 3.729 0 40 IHAB O=c1c([C@H]2NCCc3ccccc32)c(O)[nH]c(=S)n1-c1ccc(Br)cc1 20150021 SOCWDMKDBQOGMA-INIZCTEOSA-N 430.327 3.598 0 40 IHAB COc1ccc([C@@H]2N=C3NCN(CCC(C)C)CN3c3nc4ccccc4n32)cc1OC 20638582 BJJOZMKVHZCKKV-JOCHJYFZSA-N 434.544 3.643 0 40 IHAB Cc1nc(-c2ccccc2F)sc1C(=O)NCC1(N2CCN(C)CC2)CCCCC1 20676121 LMOGKYVXRHIDRL-UHFFFAOYSA-N 430.593 3.938 0 40 IHAB CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1cccc2ccccc12 20802521 ZZFIIBBYSJSBLW-DHIUTWEWSA-N 443.503 3.951 0 40 IHAB Cc1ccc2c(c1)[C@@H](NC(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O)CC(C)(C)O2 22328952 CYCCNKIIEHXZDO-IBGZPJMESA-N 430.570 3.796 0 40 IHAB COC(=O)c1cccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2cccs2)c1 22395610 BLUFWLMXUPAQAA-UHFFFAOYSA-N 448.497 3.508 0 40 IHAB COc1ccc([C@H](C)NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)cc1OC 22526248 OCJLTCAOMBHFTB-INIZCTEOSA-N 440.521 3.996 0 40 IHAB O=C(NC[C@H](c1cccs1)N1CCc2ccccc2C1)C(=O)Nc1ccc(F)cc1F 22908173 QSUWRWKQGQGRGO-HXUWFJFHSA-N 441.503 3.881 0 40 IHAB O=C(c1cc2ccccc2oc1=O)N1CCN(Cc2nc(-c3cccs3)cs2)CC1 23137366 HWYKBVLFCPIKMQ-UHFFFAOYSA-N 437.546 3.936 0 40 IHAB COc1ccc(CN(C)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1OC 23384351 TYBUMYZYUAROEH-UHFFFAOYSA-N 445.519 3.589 0 40 IHAB CSc1ccc(CN(C)C(=O)CN2C(=O)N[C@](C)(c3cccc4ccccc34)C2=O)cc1 23909126 ZRCUQWGDMFFAGB-RUZDIDTESA-N 447.560 3.987 0 40 IHAB CC(C)[C@@H](NC(=O)CCNC(=O)CCC(=O)c1cccs1)c1ccc2c(c1)OCCO2 24354370 BFAZBSFGPMYEGL-HSZRJFAPSA-N 444.553 3.502 0 40 IHAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)NCc1ccccc1CN1CCOCC1 25592619 AAJQDFJXCSVCFV-UHFFFAOYSA-N 439.537 3.664 0 40 IHAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)CCn2nc(-c3cccs3)oc2=O)cs1 26884784 MHMUDFNHMYVVJB-UHFFFAOYSA-N 438.534 3.976 0 40 IHAB COc1ccccc1OCCNC(=O)CSc1nnc(Cc2cccs2)n1C1CC1 27977857 RCADVHOZEZMTPD-UHFFFAOYSA-N 444.582 3.561 0 40 IHAB COC(=O)c1cn(CC(=O)N[C@@H](c2ccc(Cl)cc2)c2nccn2C)c2ccccc12 28947485 LBGPQFNNMCKSFY-NRFANRHFSA-N 436.899 3.721 0 40 IHAB CC(=O)c1cccc(N2C(SCc3ccc(Cl)cc3)=N[C@H]3CS(=O)(=O)C[C@H]32)c1 32639698 QJVLFELTPQBBMN-RBUKOAKNSA-N 434.970 3.818 0 40 IHAB CC(=O)N1CCc2cc(NC(=O)[C@H]3CCCN3C(=O)C34CC5CC(CC(C5)C3)C4)ccc21 32722102 SMHQOETWXHKJSG-DHUDBDOYSA-N 435.568 3.742 0 40 IHAB CC(C)C[C@@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)NCc1cccnc1 36579932 PJBPPTMXVFKSRD-HXUWFJFHSA-N 447.564 3.943 0 40 IHAB CCc1c(C(=O)N(CC)Cc2nc3ccccc3c(=O)[nH]2)cnn1-c1cccc(Cl)c1 40070129 JZADILNAIVLDOT-UHFFFAOYSA-N 435.915 3.987 0 40 IHAB CC[C@H](C)[C@H](C(=O)OCc1cn2cc(Cl)ccc2n1)N1C(=O)c2ccccc2C1=O 40159165 COZOTFGAPBDCNI-ORAYPTAESA-N 425.872 3.742 0 40 IHAB CSc1ncccc1C(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O 49313061 BJUUGPTZTFXPTQ-RVDMUPIBSA-N 433.942 3.923 0 40 IHAB CCN(CC)c1ccc(-c2noc(CN3CCN(c4ccc(Cl)cc4)CC3)n2)cn1 49409724 DLDCTDYMATYYFN-UHFFFAOYSA-N 426.952 3.953 0 40 IHAB CC(=O)N1CCc2cc(NC(=O)Nc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)ccc21 58376878 IRYFEAQYOPASAE-GJZGRUSLSA-N 426.492 3.992 0 40 IHAB COCc1nnc(NC(=O)[C@@H]2c3ccccc3C(=O)N(CC(C)C)C23CCCC3)s1 71279590 RMHPHUKKIJHYLL-SFHVURJKSA-N 428.558 3.831 0 40 IHAB CCCc1c(C(=O)N[C@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)[nH]c(C)c1C(C)=O 71944640 XWKSNBWCBNMSCX-OAHLLOKOSA-N 447.601 4.000 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H]2CCCN2Cc2ccccc2)ccc1C 72034234 RSTZCAZIEXRNCK-NRFANRHFSA-N 429.586 3.629 0 40 IHAB COc1ccc(C2(C(=O)N3CCC4(CC3)C[C@@](O)(c3nccs3)CO4)CCCC2)cc1 72335667 JLPQKIGLLCEYQR-DEOSSOPVSA-N 442.581 3.633 0 40 IHAB Cc1nc2c(c(Nc3ccccn3)n1)CN(S(=O)(=O)c1cccc(C(F)(F)F)c1)CC2 72380800 JJOUBFYEDRYYKW-UHFFFAOYSA-N 449.458 3.689 0 40 IHAB O=C(c1cccc(-n2cccc2)c1)N1CCC[C@H](c2cc(C(F)(F)F)n3ncnc3n2)C1 72393651 WYIDNBKJMOQKBE-INIZCTEOSA-N 440.429 3.954 0 40 IHAB O=C(N1CCC([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)CC1)C1(c2ccccc2F)CC1 72395601 HPRGPVDIWVRJQP-DLBZAZTESA-N 437.441 3.675 0 40 IHAB Cc1ccc(S(=O)(=O)c2ncccc2CN2CCN(c3ccc(F)cc3)CC2)cc1 79483681 CQSRGSGXBWBZLH-UHFFFAOYSA-N 425.529 3.684 0 40 IHAB COc1cccc(C(=O)N(CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c2ccccc2C)c1 100394864 YHRFHSKJRRFPRY-XPUPLBFISA-N 442.515 3.661 0 40 IHAB Cc1ccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)C(=O)c2ccccc2)c(C)c1 100396483 UBRRSJSTZHOYAV-DRRJAYDASA-N 426.516 3.961 0 40 IHAB Cc1ccc(Cl)cc1S(=O)(=O)N1[C@H]2CC[C@H]1CC(S(=O)(=O)c1ccccc1)C2 101322956 VYRRBIDODFDMHZ-IRXDYDNUSA-N 439.986 3.806 0 40 IHAB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@H]2CCCN21 101408575 YPCHADOSNDGCAG-IQXSCUCBSA-N 437.499 3.579 0 40 IHAB O=C(Nc1cccc(Cl)c1)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 102086611 BRUQSFDXZJCSQY-RPEUOYKBSA-N 446.934 3.943 0 40 IHAB CCOC(=O)COc1c(Cl)cc(/C=c2\sc3nc4ccccc4n3c2=O)cc1Cl 137538396 GQTXXOGNTQYZPU-SXGWCWSVSA-N 449.315 3.706 0 40 IHAB O=C(CN1c2ccc(Cl)cc2-c2ccccc2S1(=O)=O)NCc1ccc(F)cc1 219165182 NHVGGBKATPPQFW-UHFFFAOYSA-N 430.888 3.971 0 40 IHAB CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccc(Br)cc1 222521454 ZRGQNZHPJOYOIH-ZDUSSCGKSA-N 439.737 3.645 0 40 IHAB COc1ccc(CCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)cc1OC 222666504 HTGBDPYMCQBUTR-GOSISDBHSA-N 426.557 3.968 0 40 IHAB CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc2c(c1)OCCO2 223838764 PTECNNJJYYNQCA-QGZVFWFLSA-N 444.959 3.987 0 40 IHAB COc1ccc(OCCNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(C)c2)cc1 224089531 HZUJGLLPTNTABL-UHFFFAOYSA-N 440.521 3.613 0 40 IHAB CCCc1ccc(OCCNC(=O)[C@@H](CC)N(c2ccc(C)cc2)S(C)(=O)=O)cc1 224305543 GXBFRQSDLUPBST-JOCHJYFZSA-N 432.586 3.687 0 40 IHAB Cc1cccc(OCCNC(=O)CN2c3ccc(F)cc3-c3ccccc3S2(=O)=O)c1 224370635 OZYCTVKSCLMYTK-UHFFFAOYSA-N 440.496 3.505 0 40 IHAB CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN1C(=O)c2cccc3cccc1c23 224864458 LJEADEPRCLHPQZ-KRWDZBQOSA-N 447.510 3.883 0 40 IHAB COc1cccc(-c2noc(CNC(=S)Nc3ccc(N4CCCC4=O)c(C)c3)n2)c1 225822999 XHYDJFMLBDSFHX-UHFFFAOYSA-N 437.525 3.667 0 40 IHAB CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@@H]5ON=C(c6ccccc6Cl)[C@H]54)[C@H]3C2=O)cc1 248379845 OCLBEOGWDVALDN-POQOAFDUSA-N 434.879 3.717 0 40 IHAB Cc1cc(Nc2cc([C@@H]3CCCN3C(=O)C(C)(C)NC(=O)OC(C)(C)C)nc(C)n2)[nH]n1 257289125 PXBDKDRHFFMJJI-INIZCTEOSA-N 443.552 3.527 0 40 IHAB CCc1cccc(C)c1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(OC)ccc2OC)C1 408551869 JIEYAPCMXDXWGH-SFHVURJKSA-N 446.569 3.614 0 40 IHAB CCn1c(S/C(=C\c2cccc(O)c2)C(=O)O)nnc1-c1cc(OC)cc(OC)c1 408630703 AKHDDZZHUGXXDG-NVMNQCDNSA-N 427.482 3.906 0 40 IHAB COc1cc(/C=C(\Sc2nnc(C)o2)C(=O)O)ccc1OCc1cccc(C(=O)O)c1 408632609 RXTTUCCWBPBFGE-ZDLGFXPLSA-N 442.449 3.882 0 40 IHAB COC(=O)c1ccc(C)c(NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2C)c1 408700410 FQJKWDXHPFVMHC-UHFFFAOYSA-N 444.553 3.763 0 40 IHAB COc1cc(Cl)c(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1Cl 517174208 UBRGIQGIANTDCQ-UHFFFAOYSA-N 442.324 3.601 0 40 IHAB CN1CCC([C@H]2CCN(C(=O)Nc3ccc(C(=O)NCCc4ccccc4)cc3)C2)CC1 535217278 XGVXMCFWEKSHBR-QHCPKHFHSA-N 434.584 3.855 0 40 IHAB O=C(Nc1cccc2ccncc12)[C@H]1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]43)[C@H]12 579771190 ZINPFWWQWKTLPY-JJDWMWQWSA-N 449.510 3.653 0 40 IHAB C[C@]1(c2cccc(CNC(=O)N3CCCCC[C@@H]3/C=C/c3ccccc3)c2)NC(=O)NC1=O 1252746978 CGIHTNVIZAIGLK-BRDULOMRSA-N 446.551 3.909 0 40 IHAB Cc1ccc(-c2nc(N3CCN(S(C)(=O)=O)CC3)c3c4c(sc3n2)CCCC4)cc1 1332443 GSFXZNNZGBXMCF-UHFFFAOYSA-N 442.610 3.627 0 40 IHAB COc1cc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)cc(OC)c1OC 1359850 FYUFFECAPBCWTH-OAHLLOKOSA-N 441.459 3.921 0 40 IHAB COc1ccc(OCc2nnc3n2N=C(c2ccc(Br)cc2)CS3)cc1 1424447 ZHTVPDXVUPBPGE-UHFFFAOYSA-N 431.315 3.986 0 40 IHAB aggregator C[C@@H]1CCc2c(sc(NC(=O)c3cc(-c4ccc5c(c4)OCO5)on3)c2C(N)=O)C1 4176416 QKMDHRQTVQIFFH-SNVBAGLBSA-N 425.466 3.608 0 40 IHAB O=C1CC[C@@H](C(=O)N(Cc2cccs2)C2(C(=O)NC3CCCCC3)CCCCC2)N1 4571627 IYQKNFSWDNPGJN-IBGZPJMESA-N 431.602 3.507 0 40 IHAB Cc1ccc(SCCNC(=O)CN2C(=O)N[C@](C)(c3cccc4ccccc34)C2=O)cc1 8705733 CSKCKZJMMCGAPD-RUZDIDTESA-N 447.560 3.824 0 40 IHAB CCCOc1ccc(CN(C(=O)c2ccccc2OCC)[C@@H]2CCS(=O)(=O)C2)cc1 8915740 KJJQXPWFGNOOHL-LJQANCHMSA-N 431.554 3.704 0 40 IHAB C[C@H]1CCc2c(sc3ncn(CC(=O)Nc4ccccc4Br)c(=O)c23)C1 9041233 HOXINOZNEIMBGK-NSHDSACASA-N 432.343 3.984 0 40 IHAB COc1ccc(C(=O)[C@H]2C(c3ccc(F)cc3)=NO[C@@]23C(=O)Nc2ccccc23)cc1OC 9186316 KQDWRQLIGNCFEK-PXDATVDWSA-N 446.434 3.924 0 40 IHAB Cc1ccc(NC(=O)CSc2ccc(S(=O)(=O)N3CCCC3)cn2)cc1Cl 9205211 HTQMZHQHYWGTNR-UHFFFAOYSA-N 425.963 3.559 0 40 IHAB COc1cc(OC)c(OC)cc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(C)cc2)C1=O 9259055 GRZSMUOAWZPIBM-VXLYETTFSA-N 442.493 3.696 0 40 IHAB COc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2)cc1Br 9304746 UKKOVLDJYBRTKJ-KRWDZBQOSA-N 432.343 3.889 0 40 IHAB O=C(c1ccc(Cl)c(S(=O)(=O)NCc2cccnc2)c1)N1CC[C@@H]2CCCC[C@@H]2C1 9322008 TUUFWSBZOZACLN-PKOBYXMFSA-N 447.988 3.866 0 40 IHAB Cc1sc2nc([C@H](C)OC(=O)C[C@@H]3Sc4ccccc4NC3=O)[nH]c(=O)c2c1C 9389950 MFLDCOSQJBXJDF-HZMBPMFUSA-N 429.523 3.709 0 40 IHAB Cc1c(C)c(C)c(C(=O)OCC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)c(C)c1C 9458197 FQCMMKFAQJPWDO-OAQYLSRUSA-N 443.565 3.606 0 40 IHAB O=C(CCn1c(=O)oc2cc(Cl)ccc21)N1CCC[C@H]1c1ccc2c(c1)OCCO2 9782373 VNDQDTDCFAUQHJ-INIZCTEOSA-N 428.872 3.773 0 40 IHAB O=C(COc1coc(CN2CCc3ccccc3C2)cc1=O)N1CCCc2ccccc21 10166350 GSGFNSXZZHPLTP-UHFFFAOYSA-N 430.504 3.556 0 40 IHAB O=C(COC(=O)CCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccccc1C(F)(F)F 10317716 VLXKMJFEQYGJSP-UHFFFAOYSA-N 449.834 3.705 0 40 IHAB C[C@@H](OC(=O)C1CCN(c2nc3ccccc3o2)CC1)C(=O)Nc1ccc(N(C)C)cc1 10654113 BSQRWRWXFILGLT-MRXNPFEDSA-N 436.512 3.681 0 40 IHAB Cc1cccc(N2CCN(C(=O)CCc3csc(NC(=O)c4ccccc4)n3)CC2)c1 11796799 GYBLIYWOKBWAFW-UHFFFAOYSA-N 434.565 3.985 0 40 IHAB Cc1nn(CC(=O)NC(c2ccccc2)c2ccccc2)c(=O)c2cc3sccc3n12 12115243 YOKDOCREXNNEDI-UHFFFAOYSA-N 428.517 3.925 0 40 IHAB C[C@@H](C(=O)N1CCN(S(=O)(=O)c2cc(Cl)cnc2C2CCC2)CC1)c1ccccc1 12220867 SSIQHSACWQCLMR-MRXNPFEDSA-N 447.988 3.639 0 40 IHAB CC[C@@H](Oc1ccccc1OC)C(=O)N1CCC(c2nc(O)cc(-c3ccccn3)n2)CC1 12241607 RFMAFOGJKXTKNS-HXUWFJFHSA-N 448.523 3.816 0 40 IHAB CCc1ccc(S(=O)(=O)N2CCn3cccc3[C@@H]2c2ccc(OC)c(OC)c2)s1 12361710 BNNDTHUKDLUZIF-NRFANRHFSA-N 432.567 3.923 0 40 IHAB CCOC(=O)C1=C(CSc2nnc(-c3ccoc3C)o2)NC(=O)N[C@@H]1c1cccs1 12724837 GGFXNDGTCVTOND-OAHLLOKOSA-N 446.510 3.663 0 40 IHAB O=C(Cn1nc(O)c2ccccc2c1=O)NC[C@H](c1cccs1)c1c[nH]c2ccccc12 12769421 YUJFPJSFALOGEV-IBGZPJMESA-N 444.516 3.593 0 40 IHAB CN(C)S(=O)(=O)c1ccc(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)cc1 12777800 KEKPJCOECGXDON-UHFFFAOYSA-N 441.534 3.737 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)C2)s1 12809144 HMCOQLWYEFIOIL-OAHLLOKOSA-N 446.516 3.792 0 40 IHAB CCc1ccc([C@@H](C)NC(=O)CN2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1 12821690 PUMUUNXSMKGNJA-GOSISDBHSA-N 436.552 3.792 0 40 IHAB O=C(NC1CCCCC1)[C@H](c1ccccn1)N(C(=O)c1csnn1)c1ccccc1F 12869965 FCOSWHNNSSKQOF-FQEVSTJZSA-N 439.516 3.909 0 40 IHAB CCOC(=O)[C@@H](CC(=O)c1ccc(OC)cc1)c1cc(=O)oc2c(OC)c(OC)ccc12 12900335 LBUGNBJBMLKAGH-SFHVURJKSA-N 440.448 3.739 0 40 IHAB biogenic CN(Cc1ccc(Cl)cc1Cl)C(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2C 12975780 YFTSLKLURJAJOE-NRFANRHFSA-N 432.307 3.561 0 40 IHAB O=C(NCC(=O)N1CCN(Cc2nc3ccccc3s2)CC1)c1ccc2ccccc2c1 13109636 XZNAPHDQENTRFB-UHFFFAOYSA-N 444.560 3.524 0 40 IHAB Cc1cccc(C(=O)OCC(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 13121356 VNFKQQQYNXCOHG-UHFFFAOYSA-N 442.821 3.921 0 40 IHAB O=C(NC12CC3CC(CC(C3)C1)C2)[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2)C1 13563349 IYXOKSHTMUJZAQ-XDHFQJGLSA-N 437.005 3.826 0 40 IHAB CC(=O)N1CCN(c2ccc(NC(=O)COc3ccc(Cl)cc3C)cc2Cl)CC1 13566138 AOSJVWKRWBBTKD-UHFFFAOYSA-N 436.339 3.988 0 40 IHAB CCOC(=O)c1c(N2C(=O)C[C@H](Sc3cccc(N)c3)C2=O)sc2c1CCCC2 13576106 NFWJILBPWGIGIL-INIZCTEOSA-N 430.551 3.810 0 40 IHAB COc1ccc(Cl)cc1N(CC(=O)N1CCC[C@H](C)C1)S(=O)(=O)c1ccccc1 13668621 QOJIUPMWZOFVKB-INIZCTEOSA-N 436.961 3.802 0 40 IHAB COC(=O)CSc1ncnc2c1sc1nc(N3CCCC3)c3c(c12)CC(C)(C)OC3 13804028 SXCULIBRHRNENF-UHFFFAOYSA-N 444.582 3.956 0 40 IHAB Cc1cccc(CSCCNC(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)c1 14153969 LKYHPQWEQOQLNN-INIZCTEOSA-N 441.018 3.853 0 40 IHAB Cc1ccc(-c2csc(Cn3c(CN4CCOCC4)nc4ccccc4c3=O)n2)s1 14234838 ZKWUPJWLJSUZJO-UHFFFAOYSA-N 438.578 3.770 0 40 IHAB CCCCNS(=O)(=O)c1cccc(NC(=O)COc2ccc(Br)cc2)c1 14252771 KTWPMEIKPKRRSQ-UHFFFAOYSA-N 441.347 3.545 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCCOC(C)C)c2ccc(Cl)cc2)cc1 14412071 WESTWLOGNAGPRL-UHFFFAOYSA-N 438.977 3.775 0 40 IHAB COc1ccc(CCNC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)cc1 15229734 XWYQTPAGWNNLOI-UHFFFAOYSA-N 438.549 3.558 0 40 IHAB Cc1cccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)cc2)c1C 15564802 KKAXZNAOMGHHJF-UHFFFAOYSA-N 436.493 3.526 0 40 IHAB O=C(CCn1ccc2ccc(Br)cc21)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 15894338 ZTBJTNZXYAYXLK-DOTOQJQBSA-N 440.341 3.602 0 40 IHAB biogenic O=C(c1ccc(C(F)(F)F)cc1)N1CCN(c2ccc(N3CCCCCC3)nn2)CC1 16689892 UXHWRUBXKLVFTA-UHFFFAOYSA-N 433.478 3.838 0 40 IHAB Cc1ccccc1N1C(=S)N(c2cccc(Br)c2)[C@H]2CS(=O)(=O)C[C@@H]21 16740623 YFFLHTQEMBOLBK-IRXDYDNUSA-N 437.384 3.535 0 40 IHAB COc1ccccc1CNC(=O)[C@H](C)OC(=O)c1c(C)nn(Cc2ccccc2)c1Cl 16822429 LCFLZAIGRDMCRO-INIZCTEOSA-N 441.915 3.764 0 40 IHAB O=C(CCc1csc(NC(=O)NC2CCCCC2)n1)NCc1ccc2c(c1)OCO2 16978514 HRDBCOKNZYTDST-UHFFFAOYSA-N 430.530 3.575 0 40 IHAB CCCn1nnc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)n1 17097254 JZJBKAFPWDBDNY-VQHVLOKHSA-N 430.921 3.831 0 40 IHAB Cc1nc2ccccn2c1CN1CCO[C@@H](c2c(C(=O)NC(C)C)sc3ncccc23)C1 19703298 KUYSVQPEMSFOOC-LJQANCHMSA-N 449.580 3.964 0 40 IHAB Cc1nc([C@H]2CCCCN2C(=O)Cn2cccn2)nc2c1CCCN2Cc1ccccc1 19706273 VJMVKJOGNBIDFF-JOCHJYFZSA-N 430.556 3.688 0 40 IHAB Cc1n[nH]c(O)c1C(c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)c1c(C)n[nH]c1O 20026396 BYBCGGBFIRCZOR-UHFFFAOYSA-N 428.832 3.953 0 40 IHAB O=C(Nc1nnc(SCc2cc(=O)n3ccsc3n2)s1)c1ccc(Cl)cc1 20984030 WOWMELUFOKVXSN-UHFFFAOYSA-N 435.943 3.806 0 40 IHAB COc1cccc(NC(=O)COC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1 21763098 FDKMMVGEIGLELI-UHFFFAOYSA-N 437.418 3.507 0 40 IHAB CCOc1ccc(CN(CC)C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1OC 21908299 FRBWOUNSXACGHA-UHFFFAOYSA-N 427.469 3.753 0 40 IHAB CCOc1ccc(CCC2CCN(C(=O)[C@H](C)N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)CC2)cc1 22131069 VCTJBMZFSFZQOV-CDNPAEQRSA-N 438.568 3.596 0 40 IHAB CCCOc1ccc(N(CC(=O)N2CCC(Cc3ccccc3)CC2)S(C)(=O)=O)cc1 22388364 ZAGFFQBPAHAGCX-UHFFFAOYSA-N 444.597 3.723 0 40 IHAB COc1ccccc1[C@@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 22459838 IZJDGCYRAWCPLA-CVEARBPZSA-N 436.961 3.627 0 40 IHAB C[C@@H](OC(=O)COc1cc(Cl)c(Cl)cc1Cl)C(=O)Nc1ccc(C(N)=O)cc1 22528699 IHBGZNXHFRSXMS-SECBINFHSA-N 445.686 3.695 0 40 IHAB CCOc1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CCN(C3CCCC3)CC2)cc1 22929165 MIJDAPWXFJNEBS-VWLOTQADSA-N 446.599 3.770 0 40 IHAB O=C(CCNC(=O)NC1CCCCC1)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 24500074 UJCLWCXFNKJHHH-UHFFFAOYSA-N 441.601 3.662 0 40 IHAB COc1ccc(-c2nc(C(=O)N(C)C[C@H]3COc4ccccc4O3)cs2)cc1OC 24661164 DZWLJUHLBIPFHU-HNNXBMFYSA-N 426.494 3.739 0 40 IHAB COc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1Cl 25425309 GJRIZJMOKOYMMO-INIZCTEOSA-N 429.325 3.794 0 40 IHAB NC(=O)N[C@@H](CC(=O)Nc1ccc2c(c1)NC(=O)CO2)c1cccc(Oc2ccccc2)c1 26757878 KTHFHUWELITZKS-IBGZPJMESA-N 446.463 3.548 0 40 IHAB COc1ccc(NC(=O)c2ccn(Cn3nc(C)c(Br)c3C)n2)cc1Cl 27973511 WPVCBVFYBZECQI-UHFFFAOYSA-N 438.713 3.879 0 40 IHAB COc1ccc(-c2nc(Cn3nnc(C(=O)Nc4ccc(Cl)cc4)c3N)c(C)o2)cc1 33291800 QQLIXXRLUMTADG-UHFFFAOYSA-N 438.875 3.786 0 40 IHAB CCN1C/C(=C/c2ccc(OCC(=O)O)c(OC)c2)c2nc3ccccc3c(C(=O)O)c2C1 33499188 VKTSVWOGJRPLQK-YBEGLDIGSA-N 448.475 3.781 0 40 IHAB Cc1ccc(C)c(N2CCN([C@@H](c3ccccc3)c3nnnn3Cc3ccco3)CC2)c1 35290614 CDJKHRNHYLWOOW-DEOSSOPVSA-N 428.540 3.843 0 40 IHAB O=C(CN1CCN(C(=O)c2ccccc2)CC1)N[C@H](Cc1ccccc1)c1ccccc1 36447668 RUOLEVZEGSMMDR-RUZDIDTESA-N 427.548 3.545 0 40 IHAB Cc1cccc(N2CCN(c3ccc(SCC(=O)Nc4cccc(F)c4)nn3)CC2)c1 38487670 ZHELMVZERCTIRY-UHFFFAOYSA-N 437.544 3.982 0 40 IHAB COc1cccc(N2CCN(C(=O)Cn3ccc4c(Br)cccc43)CC2)c1 40267417 ZPCQRCOFDZFOFX-UHFFFAOYSA-N 428.330 3.761 0 40 IHAB COc1ccc(NC(=O)CN2CCc3[nH]c4c(C)c(Cl)ccc4c(=O)c3C2)c(OC)c1 49003150 KGBWWWVGUIOBDM-UHFFFAOYSA-N 441.915 3.504 0 40 IHAB Cc1nc2c(c(=O)n1CC(=O)Nc1ccc(F)c(Cl)c1)CN(Cc1ccccc1)CC2 49400791 OJTHIFOEPXUYBS-UHFFFAOYSA-N 440.906 3.541 0 40 IHAB Cc1cccc(CN2CCc3nc(C)n(CC(=O)Nc4ccc(C)cc4C)c(=O)c3C2)c1 49400935 XBYOIXRJKDQULK-UHFFFAOYSA-N 430.552 3.674 0 40 IHAB CCCC[C@@H](c1nnnn1C[C@H]1CCCO1)N1CCN(c2nc3ccccc3s2)CC1 57670406 JEFGPYFULQYDPK-MJGOQNOKSA-N 441.605 3.515 0 40 IHAB CCCCn1c(SCC(=O)Nc2ccc(OC)c(OC)c2)nc2cc(C)[nH]c2c1=O 67238454 QRFUXYSKXIZMRX-UHFFFAOYSA-N 430.530 3.581 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H]1c1cc(Nc2cnccn2)cc(C)n1 72372653 KKUKCXLOGUNAPI-IBGZPJMESA-N 439.541 3.766 0 40 IHAB CN1C(=O)C[C@H](CNC(=O)c2cc(Br)cc(Cl)c2O)[C@H]1c1ccccc1 96003279 FCEAZKIXXZXBOX-SJKOYZFVSA-N 437.721 3.758 0 40 IHAB Cc1nn(-c2nc3ccccc3[nH]2)c(O)c1[C@H]1CC(=O)N(c2cccc(Cl)c2C)C1=O 100069178 COIHNEYDOVLHLC-CYBMUJFWSA-N 435.871 3.772 0 40 IHAB C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)/N=c2/sc3ccccc3n2C)cc1 100860552 WOZNKNVKFIMBGB-SKAIHHOBSA-N 429.567 3.544 0 40 IHAB Cc1cn2nc(C(=O)N3CCN(C4CCCCC4)CC3)cc2c(N(C)Cc2ccccc2)n1 169768800 PLPDDTGLKKEUCL-UHFFFAOYSA-N 446.599 3.765 0 40 IHAB CC[C@H](C(=O)N[C@H](C)COc1ccc(C)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 219108825 FQLNJRIRUTVZEW-OXQOHEQNSA-N 438.977 3.777 0 40 IHAB CSc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCc3ccc(C)cc3)CC2)cc1 219637660 YHJVFFHGABMJBH-UHFFFAOYSA-N 446.638 3.867 0 40 IHAB CCc1ccc(N([C@@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)cc1 220286920 IHBPNZQXGWQNHE-OXJNMPFZSA-N 430.570 3.822 0 40 IHAB COc1cc(OC)cc(OCC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC(C)(C)C)c1 222736633 HUIYMRIXRFZBNO-GOSISDBHSA-N 442.556 3.723 0 40 IHAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2C(=O)OC)o1 223036584 JMOGCBJXTHQBAE-LEWJYISDSA-N 437.521 3.747 0 40 IHAB Cc1ccc(N(CC(=O)NCCOc2ccccc2C)S(=O)(=O)c2ccccc2)cc1 223464785 KUYFUYWSTUDTOC-UHFFFAOYSA-N 438.549 3.694 0 40 IHAB Cc1cc(C)cc(N(CC(=O)NCCOc2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c1 223626901 SRGBLDQDJCZHIX-UHFFFAOYSA-N 432.586 3.562 0 40 IHAB CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)oc1ccccc12)c1ccc2c(c1)OCO2 223886794 JQIVQCIYCRKBLK-UHFFFAOYSA-N 438.461 3.719 0 40 IHAB COC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3cccc(C)c3)c2)c1 224138712 NEUNMCOAZAECCC-UHFFFAOYSA-N 438.505 3.859 0 40 IHAB Cc1cc(C)c(N(CCCC(=O)NCCOc2ccc(C)c(C)c2)S(C)(=O)=O)c(C)c1 224824463 AGQJSYONZXXMMC-UHFFFAOYSA-N 446.613 3.970 0 40 IHAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 224887529 VBELRUKPWBDNHZ-OXQOHEQNSA-N 446.569 3.577 0 40 IHAB Cc1cc(C)c(N(CC(=O)Nc2nnc(-c3ccccc3)s2)S(C)(=O)=O)c(C)c1 224887989 HUWMKDQYKKNGGG-UHFFFAOYSA-N 430.555 3.535 0 40 IHAB COc1cccc(-c2cc(C(=O)N3CC[C@@H](Oc4ccc5ccccc5n4)C3)n(C)n2)c1 225739263 XZPVWMCJMVMYBX-HXUWFJFHSA-N 428.492 3.937 0 40 IHAB O=c1sc2cc(S(=O)(=O)NCc3ccncc3)ccc2n1Cc1ccc(Cl)cc1 225785015 MKCDSEMIOUBMCF-UHFFFAOYSA-N 445.953 3.638 0 40 IHAB Cc1ccc2c(c1)OC(C)(C)[C@H]1CC3(CO[C@H]21)CN(C(=O)c1c(C)cc(C)n(C)c1=O)C3 257283297 OXRVVQXAPOJYIF-SIKLNZKXSA-N 436.552 3.702 0 40 IHAB CN(C)c1ncc(-c2cnn(C)c2)c([C@@H]2CCN(Cc3ccc4c(c3)CC(C)(C)O4)C2)n1 257296517 RDEPNBJZWUYSSV-GOSISDBHSA-N 432.572 3.646 0 40 IHAB COc1ccc(Cl)cc1N([C@H](C)C(=O)NCCc1ccc(Cl)cc1)S(C)(=O)=O 260844222 HVDUQUNXOIDWTE-CYBMUJFWSA-N 445.368 3.515 0 40 IHAB COc1ccc(S(=O)(=O)N[C@H](C)CCc2ccccc2)cc1I 408616048 FFNSYMZAHYMUNE-CYBMUJFWSA-N 445.322 3.599 0 40 IHAB COc1cccc(CNC(=O)c2ccccc2NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c1 408616051 VDJOMDRUUDRNJH-LJQANCHMSA-N 443.503 3.617 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 408680583 NUDXOSOEPUJXTB-UHFFFAOYSA-N 438.933 3.702 0 40 IHAB CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)NCCc1c[nH]c2ccccc12 408978824 KMFBNLAJWZQVHC-QFIPXVFZSA-N 437.540 3.937 0 40 IHAB Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)N(C)Cc1ccccc1 409390662 KXGFJXIRRIAFQK-UHFFFAOYSA-N 438.549 3.511 0 40 IHAB Cc1nc2ccccc2c(=O)n1CC1CCN(C(=O)c2ccc(OC3CCCC3)nc2)CC1 1888916665 MHWDNHDBXPBCRD-UHFFFAOYSA-N 446.551 3.974 0 40 IHAB Cc1ccc2cc(CN(Cc3ccco3)Cc3nnnn3Cc3ccccc3)c(=O)[nH]c2c1 926192 AMDMECWFDANQGR-UHFFFAOYSA-N 440.507 3.667 0 40 IHAB CC1=C(C(N)=O)[C@@H](c2ccccc2F)N2NC(SCc3ccccc3Cl)=NC2=N1 958562 BOXFODMSQFUZEG-QGZVFWFLSA-N 429.908 3.759 0 40 IHAB CCc1cc(=O)oc2cc(C)cc(OCC(=O)N3CCC(C(=O)O)(c4ccccc4)CC3)c12 2125721 HDVJNJXOXALKRD-UHFFFAOYSA-N 449.503 3.688 0 40 IHAB biogenic O=S(=O)(c1ccccc1)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1 2359507 WXICTVPGBGMLIC-UHFFFAOYSA-N 430.533 3.808 0 40 IHAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 3224121 MJMCYCRURMKAOI-CVDCTZTESA-N 442.515 3.549 0 40 IHAB O=C(OCC(=O)c1ccc(Cl)cc1Cl)c1ccc(S(=O)(=O)N2CCCC2)cc1 3266099 PZFIYNHIYAPBRZ-UHFFFAOYSA-N 442.320 3.818 0 40 IHAB CC[C@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)Nc1ccccc1C(C)=O 3325545 LYFUCGZGCGYKBM-QKKBWIMNSA-N 444.915 3.869 0 40 IHAB O=C(COC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)c1ccc(Cl)cc1 3425788 DKZKFYGAIVNXSM-UHFFFAOYSA-N 435.929 3.944 0 40 IHAB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)OCCOc2ccccc2)cc1 3477423 GPPLFZYHQJYENC-UHFFFAOYSA-N 441.505 3.756 0 40 IHAB CCC(=O)c1ccc(OCC(=O)OCC(=O)c2cc(C)n(C[C@@H]3CCCO3)c2C)cc1 6029047 KYELXBVABWUHRH-FQEVSTJZSA-N 427.497 3.682 0 40 IHAB CCc1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(Br)cc3)CC2=O)cc1 8448936 NFIROVHUDJKRFY-MRXNPFEDSA-N 430.298 3.791 0 40 IHAB Cn1c(=O)c2c(-c3ccc(Br)cc3)n(Cc3ccc(F)cc3)cc2n(C)c1=O 8614019 VADTUXLHICMFEJ-UHFFFAOYSA-N 442.288 3.656 0 40 IHAB O=C1N[C@]2(CCCc3sccc32)C(=O)N1Cc1cc2c(cc1Br)OCO2 8768376 LAGDOEWDLMSGQX-SFHVURJKSA-N 435.299 3.523 0 40 IHAB COc1ccc(Br)cc1CN(C)[C@H](C)C(=O)Nc1ccc2c(c1)OCCO2 8941652 DASLVQGSBHLLNC-CYBMUJFWSA-N 435.318 3.688 0 40 IHAB C[C@H](NC(=O)CSc1nnc(-c2cccc(F)c2)n1N)c1ccc2c(c1)CCCC2 9056265 XFUCPRGRXSBKJA-AWEZNQCLSA-N 425.533 3.646 0 40 IHAB CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCc2ccccn2)c1 9119966 QLZQEWOGJCJHGC-UHFFFAOYSA-N 435.977 3.661 0 40 IHAB CCC(=O)Nc1ccc(C(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1 9168266 SCGAXUNJWQIHMC-UHFFFAOYSA-N 441.487 3.713 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccco2)C2CCCCC2)cc1Cl 9191322 LZLGQTSXLLRFJJ-UHFFFAOYSA-N 440.949 3.581 0 40 IHAB COc1ccc(Cn2nnnc2SCC(=O)N[C@H](C)c2cccc3ccccc23)cc1 9257306 VTLBPCZMJYAVIV-MRXNPFEDSA-N 433.537 3.853 0 40 IHAB O=C(Cn1c2c(sc1=O)[C@H]1c3ccccc3OC[C@@H]1CS2)Nc1ccc(F)cc1 9429796 PHMLDPRJGXQWCB-KZULUSFZSA-N 428.510 3.934 0 40 IHAB CCSc1nnc(NC(=O)[C@@H](NC(=O)c2ccccc2Br)C(C)C)s1 9631949 IGZGCGZZZIMJOT-LBPRGKRZSA-N 443.392 3.806 0 40 IHAB Cn1ccnc1[C@H](NC(=O)COc1ccc(C(=O)c2ccccc2)cc1)c1ccccc1 9637878 RJQKJWGYAAWRHL-XMMPIXPASA-N 425.488 3.936 0 40 IHAB COc1cc(NC(=O)c2cnn(-c3ccccc3)n2)c(OC)cc1NC(=O)c1ccccc1 9752734 PKAICCFZNNIVRH-UHFFFAOYSA-N 443.463 3.789 0 40 IHAB CCCN(CC(=O)NC(=O)NC1CCCCC1)CC(=O)Nc1cc(Cl)ccc1Cl 9987328 QTHXJXNQUMVBAG-UHFFFAOYSA-N 443.375 3.802 0 40 IHAB Cc1ccc2c(CC(=O)N3CCC(NS(=O)(=O)c4ccccc4)CC3)coc2c1C 10374868 NRMXZOWRDYOEFB-UHFFFAOYSA-N 426.538 3.562 0 40 IHAB CCOc1ccc(-n2c(SCC(=O)NCCCOC)nnc2-c2ccccc2)cc1 11197234 GMUHYUPJUQMCKS-UHFFFAOYSA-N 426.542 3.578 0 40 IHAB C[C@H]1CCc2c(sc3nc([C@@H](C)Sc4nnnn4Cc4ccco4)[nH]c(=O)c23)C1 11309535 VANPONMSLNQVJH-WDEREUQCSA-N 428.543 3.591 0 40 IHAB COc1cccc(C(=O)OCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c1 11479347 CKZCNDBXNCBLIG-QGZVFWFLSA-N 432.476 3.982 0 40 IHAB O=C(NCc1ccccc1Cn1cccn1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 12507821 AWPRCYMOWUFXMB-UHFFFAOYSA-N 446.532 3.662 0 40 IHAB C[C@H](Sc1nnc(CN2CCCCC2)n1-c1ccccc1)C(=O)NCc1ccco1 12553687 HXJMBAYIZLDWQX-KRWDZBQOSA-N 425.558 3.643 0 40 IHAB Cc1ccc(Cl)c(NC(=O)CN(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)c1Cl 12877350 JNSMGJYHKXQXBB-CYBMUJFWSA-N 431.341 3.523 0 40 IHAB COC(=O)c1cc(-c2csc(NC(=O)CCc3c(C)nn(CC(C)C)c3C)n2)c[nH]1 12893134 DLHDMPWYVBUELV-UHFFFAOYSA-N 429.546 3.965 0 40 IHAB O=C(c1cc2ccccc2s1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 12926956 VBWXXCHOBAYTIS-UHFFFAOYSA-N 426.972 3.763 0 40 IHAB CCOc1ccc([C@@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 12994482 VTEWGVYIXPBCKK-QHCPKHFHSA-N 442.581 3.850 0 40 IHAB CCCCCC(=O)N1CCC(c2nc(O)c3nnn(Cc4cccc(Cl)c4)c3n2)CC1 13083106 WGGWBYKCRZSOEB-UHFFFAOYSA-N 442.951 3.915 0 40 IHAB O=C(c1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2[C@@H]2CCCN21 13556416 XCJDYDWRJGYROE-MANSERQUSA-N 447.293 3.968 0 40 IHAB COc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccc(F)cc4)[nH]c(=O)c32)cc1OC 13567378 HHICYUFOYVCZIG-OAHLLOKOSA-N 441.484 3.693 0 40 IHAB O=C(N[C@H](Cc1ccccc1)C(=O)NCc1ccc2c(c1)OCO2)OCc1ccccc1 14200639 SVPPXCOEGJJZHU-OAQYLSRUSA-N 432.476 3.569 0 40 IHAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 14245028 VAMUULYQXAVBBO-FQEVSTJZSA-N 444.457 3.713 0 40 IHAB CC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(C)c(C)c3)cc2Cl)CC1 14271740 RHLJZTIBOOKETE-UHFFFAOYSA-N 444.988 3.752 0 40 IHAB O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 15577850 WICJSVKSKZHIKW-CYBMUJFWSA-N 430.423 3.884 0 40 IHAB COc1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC(=O)NC2CCCCC2)cc1OC 15957235 YTVLZQAMDFWOIX-KSNOWIBYSA-N 430.589 3.821 0 40 IHAB biogenic COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N[C@@H](C)c1ccccc1OC 15967165 RVLCCMBUFUOXTP-KRWDZBQOSA-N 446.569 3.760 0 40 IHAB O=C(c1ccco1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 15990347 QVQWILUXLJHDTC-CBPXPLCBSA-N 428.419 3.817 0 40 IHAB C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl)c1ccccc1 16024149 JNFFSAUOOSKJIN-CYBMUJFWSA-N 443.352 3.505 0 40 IHAB O=C(NCCc1ccccc1)NC[C@@H]1CCC[C@@H](CNC(=O)NCCc2ccccc2)C1 16479274 WMFJXRDYGRRLCB-DNQXCXABSA-N 436.600 3.877 0 40 IHAB CCCOc1ccc(N2C(=O)C[C@@H](N3CCN(c4ccc(Cl)cc4)CC3)C2=O)cc1 18285243 WAZGWWTXVXEAJU-OAQYLSRUSA-N 427.932 3.583 0 40 IHAB C[C@@H](C(=O)N1CCC[C@H]1c1c(-c2ccnc(N3CCCC3)n2)cnn1C)c1ccccc1 19459238 BOFWTXUBOFAAAZ-GCJKJVERSA-N 430.556 3.945 0 40 IHAB CCCN1CCN(C(=O)c2ccn(C)n2)C[C@H](Cc2ccc(-c3ccccc3)cc2)C1=O 19502709 CFBLLNSMPLPNEY-QHCPKHFHSA-N 430.552 3.640 0 40 IHAB COc1ccc(CNC(=O)C2(C[C@@H]3CC(c4ccccc4OC)=NO3)CCOCC2)cc1 19555712 CEMBAVGAISNRAO-FQEVSTJZSA-N 438.524 3.700 0 40 IHAB CNC(=O)[C@]1(Cc2ccc(-c3ccc(OC)cc3)cc2)CCCN(C(=O)c2cccnc2)C1 19591221 PTEWYZWABLZZRW-MHZLTWQESA-N 443.547 3.968 0 40 IHAB COCCc1ncc(CN2CCC[C@@H](c3nc(N(C)C)ncc3-c3ccccc3)C2)cn1 19694136 DTDIXHIUHRYMRC-OAQYLSRUSA-N 432.572 3.568 0 40 IHAB O=S(=O)(Cc1ccccc1)N1CCC[C@@H]1c1cc(CCOc2ccccc2F)[nH]n1 19703650 MQSRVTOOXPBAOH-OAQYLSRUSA-N 429.517 3.837 0 40 IHAB COc1ccc(NC(=O)c2ccccc2NC(=O)CNC[C@H](c2ccccc2)N(C)C)cc1 22037622 FTJRVCQXQVWUKI-XMMPIXPASA-N 446.551 3.779 0 40 IHAB COc1ccc(NC(=O)[C@H](C)Sc2nc(CN3CCOCC3)nc3ccccc23)cc1 22188515 MMBZHSPEUZNTGO-INIZCTEOSA-N 438.553 3.590 0 40 IHAB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)CC)cc1Cl 22248024 MDUYSOXLENXWQI-KXBFYZLASA-N 438.977 3.543 0 40 IHAB C[C@@H](Sc1nc(CN2CCOCC2)nc2ccccc12)C(=O)NCCC1=CCCCC1 22358706 HCPHOEJSEQNLGZ-GOSISDBHSA-N 440.613 3.949 0 40 IHAB C[C@@H](C(=O)N[C@H]1CCCc2ccccc21)N1CCN(Cc2nc3ccccc3s2)CC1 22932475 GTMZZRPPEPMQGW-RXVVDRJESA-N 434.609 3.996 0 40 IHAB Cc1ccc(NC(=O)Cc2nc(CN3CCN(C(=O)c4cccs4)CC3)cs2)cc1 23908144 ISSNQEMJCXXERA-UHFFFAOYSA-N 440.594 3.652 0 40 IHAB O=C(Cc1ccc(NS(=O)(=O)c2cccs2)cc1)N1CCC[C@H](C(F)(F)F)C1 30517402 QJFRDXQYNANDED-AWEZNQCLSA-N 432.489 3.892 0 40 IHAB CC[C@@H](C)[C@@H](C(=O)OCc1nc(-c2ccc(F)cc2)no1)N1C(=O)c2ccccc2C1=O 32672064 JBLVBDDEGYYHOH-YJYMSZOUSA-N 437.427 3.630 0 40 IHAB COc1cc(OC)c(C2=CCN(C[C@@H](O)COc3ccc(C)cc3C)CC2)c(OC)c1 32860410 CEAFUTWUMAMDHE-HXUWFJFHSA-N 427.541 3.858 0 40 IHAB COc1cc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC#N 33859871 MXNUIOOOTKGOIP-WQRHYEAKSA-N 425.422 3.742 0 40 IHAB O=C(NCCc1ccccc1)[C@@H](c1cccnc1)N(C(=O)c1csnn1)c1ccccc1 35291904 YIQCMKMXFGMTMU-JOCHJYFZSA-N 443.532 3.680 0 40 IHAB CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)N1CCN(c2ccccc2Cl)CC1 36185548 RAPDRSFTPPLFFT-HXUWFJFHSA-N 435.902 3.721 0 40 IHAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1nc(SCc2ccccc2)ncc1Cl 41097725 HFAPDKHBEIBRAF-GOSISDBHSA-N 441.940 3.936 0 40 IHAB CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 43727057 IOPQGWWDHDCOJZ-WCIQWLHISA-N 426.394 3.810 0 40 IHAB O=C(Cn1nc2c(Sc3cccc(F)c3)nccn2c1=O)Nc1ccc(F)c(Cl)c1 49009146 URUNRBHEVKNYGV-UHFFFAOYSA-N 447.854 3.613 0 40 IHAB CCOc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(Br)c1O 57407502 CABMIUUMLGAQEU-CAOOACKPSA-N 425.195 3.816 0 40 IHAB O=C(CNC(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1)Nc1nccs1 57987250 IPZMFHUZIOWDFC-UHFFFAOYSA-N 427.873 3.611 0 40 IHAB CCc1noc(-c2cccnc2-n2cnc(C(=O)NCc3ccc(C(F)(F)F)cc3)c2)n1 71768565 INTSYNPTSJJNCK-UHFFFAOYSA-N 442.401 3.829 0 40 IHAB Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)n1 72346016 NILWYYLQXGCNPO-OAHLLOKOSA-N 430.480 3.572 0 40 IHAB CCc1c(C)sc2ncn([C@H]3CCCN(C(=O)c4cc(C(C)(C)C)n[nH]4)C3)c(=O)c12 72347751 RPOYBPRXWXINHA-AWEZNQCLSA-N 427.574 3.827 0 40 IHAB Cc1ccc([C@H](CNc2cc(-c3ccnc(N4CCOCC4)c3)nc(C)n2)N(C)C)cc1 72373251 LUULUBRAQFBKLG-QHCPKHFHSA-N 432.572 3.707 0 40 IHAB COc1cccc([C@H]2CC(c3ccc(NS(C)(=O)=O)cc3)=NN2C(=O)C(C)(C)C)c1 79112471 CZAUBOSUMBOUST-HXUWFJFHSA-N 429.542 3.791 0 40 IHAB COC(=O)c1sc(-c2ccccc2)cc1S(=O)(=O)N1CCC(=O)Nc2ccccc21 95962310 RCOHIYOCDKWHRT-UHFFFAOYSA-N 442.518 3.739 0 40 IHAB Cc1ccc(N2C[C@H](C(=O)Oc3cccc(N4C(=O)[C@H]5CCCC[C@@H]5C4=O)c3)CC2=O)cc1 100398638 RYAFGJQWHNFHMC-WTNAPCKOSA-N 446.503 3.633 0 40 IHAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)N3CCc4ccccc43)Oc3cc(C)ccc32)cc1 219403282 KXYXCZVQWMMRBC-DEOSSOPVSA-N 448.544 3.849 0 40 IHAB COc1ccc(C)cc1NC(=O)[C@@H](C)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 220193848 WJFISHAADKJPOF-CYBMUJFWSA-N 430.448 3.816 0 40 IHAB CN(c1ccc(Cl)c(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)c1)S(C)(=O)=O 222498557 RMHJLWWVGOAVII-UHFFFAOYSA-N 437.949 3.516 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc(F)c(F)c1 222713073 MTSMXSVSSMABTK-UHFFFAOYSA-N 426.529 3.596 0 40 IHAB CCN(CC(=O)Nc1cc(-c2cccc(F)c2)[nH]n1)S(=O)(=O)c1ccc(Cl)cc1 223062117 IORQYVSQJXCZRO-UHFFFAOYSA-N 436.896 3.519 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(N3CCCC3=O)c(C)c2)cc1Br 223647134 FJYNLKAYVQLLTK-UHFFFAOYSA-N 439.331 3.694 0 40 IHAB Cc1ccc(OCCNC(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)cc1Cl 224158821 AJTAILGFZQXFFE-UHFFFAOYSA-N 438.977 3.733 0 40 IHAB CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(OC)c(OC)c1 224386626 ONPYIFINIPGHQK-FQEVSTJZSA-N 430.520 3.719 0 40 IHAB CSc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H](C)c3ccccc3)CC2)cc1 224634795 QOOILBAXHFRVJY-KRWDZBQOSA-N 432.611 3.729 0 40 IHAB CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(Cl)c(C)c1 225000797 LAZHZVYJSOBNOP-QGZVFWFLSA-N 432.948 3.979 0 40 IHAB Cc1ccc(C(=O)NCCCN2CCc3ccccc3C2)c(I)c1 225031006 YBDAUOKKOKBBFR-UHFFFAOYSA-N 434.321 3.778 0 40 IHAB CC(C)Oc1cccc(CCCNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 225569682 ZGVRJJRMJGUUOE-UHFFFAOYSA-N 430.570 3.621 0 40 IHAB COc1cccc2c(O)c(C(=O)N3CCCC4=C[C@H]5C[C@H](CN6CCCC[C@@H]56)[C@@H]43)cnc12 257198869 KLBWCGJSKVOXMZ-OPNQQPSUSA-N 433.552 3.984 0 40 IHAB CC(C(=O)N1CCOC[C@H](Cc2ccc3nccn3n2)C1)(c1ccccc1)c1ccccc1 257272898 NEHIWHUJVARKAK-OAQYLSRUSA-N 440.547 3.753 0 40 IHAB CC(C)c1nc2c(s1)CN(C(=O)c1cnccn1)CC21CCN(Cc2cccnc2)CC1 306132456 LJJUGHKJMQCXIN-UHFFFAOYSA-N 448.596 3.641 0 40 IHAB CCOc1ccc(NC(=O)C(=O)Nn2c(CCC(=O)O)ccc2-c2ccc(C)cc2)cc1 408562467 PVAFAHULXOTMLW-UHFFFAOYSA-N 435.480 3.588 0 40 IHAB Cc1cccc(C)c1NC(=O)COC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 408651499 BCIRCDMBGFXIOQ-KLDKWKSESA-N 446.503 3.634 0 40 IHAB O=C(COC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1)Nc1ccc(F)c(Cl)c1 409139767 ONYZUDBCHSISKB-NSHDSACASA-N 425.243 3.667 0 40 IHAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(Sc3ccccc3)o2)C1=O 409234276 JZJAEEOICVLTOB-QGOAFFKASA-N 449.488 3.971 0 40 IHAB Cn1c(CNC(=O)c2ccccc2F)nnc1SCc1ccc(Br)cc1 409338631 NHDMLZDYGMEKFT-UHFFFAOYSA-N 435.322 3.939 0 40 IHAB COc1ccc(C)cc1N1C[C@@H](C(=O)NCC2(c3ccccc3C)CCOCC2)CC1=O 500853907 XFASMZRMFROXDP-FQEVSTJZSA-N 436.552 3.530 0 40 IHAB O=C(c1cn(-c2ccc(C(F)(F)F)cn2)nn1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 511862866 GAQIHHOWXXAGAI-MRXNPFEDSA-N 437.809 3.548 0 40 IHAB O=C(CCCc1ccc2nc(O)[nH]c2c1)N1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 539874156 LLZAGIRFNNQTKG-APWZRJJASA-N 433.430 3.945 0 40 IHAB Cc1cc(C)n(C[C@@H]2CN(C(=O)[C@@H](c3ccccc3)N3CCc4ccccc43)CCO2)n1 601008488 YHVKHOVMBOULCX-UKILVPOCSA-N 430.552 3.531 0 40 IHAB CC(C)CCn1c(S[C@H]2CCC(=O)NC2=O)nc2sc3c(c2c1=O)CC[C@@H](C)C3 1643518575 MFARVMYEJRMJGO-OCCSQVGLSA-N 433.599 3.526 0 40 IHAB COc1cccc(NC(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccc(C)cc2)c1 972114 NITIVVCLNQWEOX-UHFFFAOYSA-N 440.521 3.846 0 40 IHAB CS(=O)(=O)N1CCN(c2nc(C3CCCCC3)nc3sc4c(c23)CCCC4)CC1 1377056 INJLDZDLKYMTRG-UHFFFAOYSA-N 434.631 3.699 0 40 IHAB CCc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1 1773477 ZHMBQJCVRLNJEJ-UHFFFAOYSA-N 440.525 3.638 0 40 IHAB CC(C)Oc1cccc(-c2nnc(SCC(=O)Nc3ccc(F)c(Cl)c3)n2N)c1 2388843 KCXXRSYHBAGYPU-UHFFFAOYSA-N 435.912 3.969 0 40 IHAB CCOC(=O)/C=C1/SCC(=O)N1CC(=O)Nc1ccccc1Sc1ccccc1 3312336 DHQQPULYJGFTFW-UDWIEESQSA-N 428.535 3.756 0 40 IHAB COc1ccc(CNC(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1OC 3467937 KQFYPWYACRHAHY-UHFFFAOYSA-N 446.459 3.985 0 40 IHAB CC(C)OC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC(C)C)[C@@H]1c1ccc(C(C)(C)C)cc1 4112346 UTHOPROUGTUCHE-YCFYUYSTSA-N 432.557 3.927 0 40 IHAB CC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@@H]3CC=C4C[C@H](OP(=O)(O)O)CC[C@]4(C)[C@@H]3CC[C@@]21C 5528241 FKBKGSILHZSWAK-IQQZFDTGSA-N 426.490 3.993 0 40 IHAB biogenic O=c1/c(=C\c2ccc(Cl)cc2Cl)sc2nc3cc(Br)cnc3n12 8642649 SYVPJPMVBPAGSK-KGVSQERTSA-N 427.110 3.921 0 40 IHAB C[C@H](OC(=O)Cn1c(C(F)(F)F)nc2ccccc21)C(=O)N1CCCc2ccccc21 8670800 FFLKDOQOGAUMHW-AWEZNQCLSA-N 431.414 3.966 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cc2c(s1)CCCCC2 8720262 OQPXFHUCXXRYLU-UHFFFAOYSA-N 428.539 3.860 0 40 IHAB CCCc1cc(=O)oc2c3c(cc(OCC(=O)NCc4ccccn4)c12)OC(C)(C)CC3 8791406 MJAUXSBPRZFFSF-UHFFFAOYSA-N 436.508 3.939 0 40 IHAB biogenic O=C1O[C@H](CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CN1c1cccc(Cl)c1 8838418 GFGSREAGZPRKDD-CQSZACIVSA-N 434.823 3.663 0 40 IHAB O=C(NC[C@@H](c1ccsc1)N1CCCC1)C(=O)Nc1ccc(OC(F)(F)F)cc1 8864272 NZYRLRIWNJSPPQ-INIZCTEOSA-N 427.448 3.539 0 40 IHAB CSCC[C@H](NC(=O)Cc1c(C)c2c(cc(C)c3c(C)c(C)oc32)oc1=O)C(=O)O 8877317 BNKMGIZLFZJVGR-HNNXBMFYSA-N 431.510 3.638 0 40 IHAB biogenic CCOC(=O)C1CCN(Cn2nc(-c3ccc(OC)cc3)n(CC(C)C)c2=S)CC1 9373036 HGJQKNOZPRZXHE-UHFFFAOYSA-N 432.590 3.978 0 40 IHAB Cc1ccccc1-n1c(SCC(=O)NC(=O)NC2CCCC2)nc2ccccc2c1=O 9487389 ZRPUICOEHCJVBD-UHFFFAOYSA-N 436.537 3.555 0 40 IHAB O=C(NCCCc1ccccc1)C(=O)NC[C@H](c1cccs1)N1CCc2ccccc21 9708275 PQJXNQPXZNUNKB-JOCHJYFZSA-N 433.577 3.717 0 40 IHAB Nc1nc(COc2cccc(C(=O)NCc3ccccc3)c2)nc(Nc2ccc(F)cc2)n1 9836695 DRFNEBQFUQTZSW-UHFFFAOYSA-N 444.470 3.846 0 40 IHAB CCn1c(CN2CCCSc3ccccc32)nc2cc(S(=O)(=O)N(C)C)ccc21 9874011 BKAOZMHAKNZEFG-UHFFFAOYSA-N 430.599 3.809 0 40 IHAB Cc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(Cc3cccnc3)C2=O)cc1 9934086 MXENDMXHIPTTTB-OAQYLSRUSA-N 432.455 3.895 0 40 IHAB Cc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)c1 9974256 XOJCMDYVPVGGPD-OAHLLOKOSA-N 437.359 3.797 0 40 IHAB COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CSc1nccn1-c1cccc(C)c1C 10348136 DGINHJDPOWOJHV-OAQYLSRUSA-N 435.549 3.708 0 40 IHAB Cc1ccc(CN(C(=O)c2cc(-c3ccc(Cl)cc3)on2)[C@@H]2CCS(=O)(=O)C2)o1 11917552 ONHXUEBERKUXRX-MRXNPFEDSA-N 434.901 3.726 0 40 IHAB COc1ccc(CC(=O)N2CCC[C@H](c3nc4ccc(F)cc4cc3C(N)=O)C2)cc1C 12256289 AGJHRKMUBYCMTH-KRWDZBQOSA-N 435.499 3.739 0 40 IHAB O=C(COC(=O)C[C@H]1Sc2ccccc2NC1=O)Nc1ccccc1SC(F)F 12256418 LVRMXTJIESQYAT-OAHLLOKOSA-N 438.477 3.986 0 40 IHAB COc1ccc(OC)c(NC(=O)CNC(=O)N2CCc3c([nH]c4ccc(Cl)cc34)C2)c1 12390663 UUIGCNFMWSQJMZ-UHFFFAOYSA-N 442.903 3.545 0 40 IHAB O=C(NCC(F)(F)F)c1cccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 12508041 LTIPHMMQRAIJDM-UHFFFAOYSA-N 426.338 3.798 0 40 IHAB Cc1ccc(Br)cc1S(=O)(=O)Nc1cccc(-c2nnnn2C2CC2)c1 12740072 OPIZOQKAEYWMIP-UHFFFAOYSA-N 434.319 3.547 0 40 IHAB CNc1nnc(SCC(=O)N(C)Cc2ccc(OCc3ccccc3)c(OC)c2)s1 12745278 VFZPYNHUDGLSHA-UHFFFAOYSA-N 444.582 3.918 0 40 IHAB COc1ccc([C@@H]2CCCN2S(=O)(=O)c2cccc(Br)c2)c(OC)c1 12751950 ASGWLBYNWXFGIN-KRWDZBQOSA-N 426.332 3.992 0 40 IHAB C[C@H](NC(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(Cl)c(Cl)c1 12770708 RXSOXKIZXLDKMI-ZDUSSCGKSA-N 434.323 3.727 0 40 IHAB CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)CSc2nc(N)nc(N)n2)cc1 12787920 IRASBKVGJGVWLC-UHFFFAOYSA-N 446.920 3.611 0 40 IHAB O=C(CN1CCC(C(=O)N2CCCCCC2)CC1)Nc1ccc(Br)cc1F 12884805 TULGEHLQDCKGGU-UHFFFAOYSA-N 440.357 3.641 0 40 IHAB Cc1cc(=O)c(C(=O)NC[C@@H](c2ccccc2)N(C)C)nn1-c1cccc(C(F)(F)F)c1 12905695 GTVXNGFSPURILM-IBGZPJMESA-N 444.457 3.592 0 40 IHAB CC(C)(C)C(=O)COC(=O)C1(S(=O)(=O)c2ccc(Br)cc2)CCCC1 13110074 RJIXGWHSDSDUEA-UHFFFAOYSA-N 431.348 3.694 0 40 IHAB Cc1ccccc1CN(C)C(=O)CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 13132030 LKSWWACEQXASRN-UHFFFAOYSA-N 440.897 3.843 0 40 IHAB O=C(c1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]2[C@H]2C=CC=NN12 13514363 OXBRXNAUVDHRIQ-ODAXIHTASA-N 439.446 3.576 0 40 IHAB COc1ccc([C@@H]2OCC(C)(C)n3c(-c4ccccc4)c4c(=O)n(C)c(=O)n(C)c4c32)cc1 13572867 HCCWRYAMNCKOGP-QHCPKHFHSA-N 445.519 3.569 0 40 IHAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1c2ccccc2Oc2ccccc21 15717990 ORTIUMDWRVBPOZ-UHFFFAOYSA-N 434.517 3.764 0 40 IHAB COc1ccc(CN(C(=O)CN(C)CCOc2ccc(Br)cc2)C2CC2)cc1 16046821 YIIAGOVPQJWPLO-UHFFFAOYSA-N 447.373 3.960 0 40 IHAB Cc1c(-c2ccccc2)sc2ncn(CCS(=O)(=O)Oc3ccccc3)c(=O)c12 16132200 KNEVSOHNJMELTB-UHFFFAOYSA-N 426.519 3.842 0 40 IHAB O=S(=O)(NC(=S)NC1C2CC3CC(C2)CC1C3)c1ccc(N2CCCCC2)cc1 16428054 PFRVPGVPUIMZHP-UHFFFAOYSA-N 433.643 3.654 0 40 IHAB COc1ccccc1NC(=O)Cn1c(C)cc(C)c(-c2nc(-c3ccc(F)cc3)no2)c1=O 16840005 HGEZYGUJOVUBSX-UHFFFAOYSA-N 448.454 3.969 0 40 IHAB 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Cc1sc2nc([C@@H](C)OC(=O)c3ccc(S(=O)(=O)C(F)F)cc3)[nH]c(=O)c2c1C 9684367 DRRPUTUFDYGEIP-SECBINFHSA-N 442.465 3.516 0 40 IHAB Cn1ccnc1SCC(=O)Nc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 9969032 BIXAAGJAWYGBFN-UHFFFAOYSA-N 449.536 3.530 0 40 IHAB O=C(Nc1ccc2scnc2c1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 10217674 AVSLXRHANVOQBB-GFCCVEGCSA-N 427.960 3.803 0 40 IHAB C[C@H]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N(C)Cc4ccco4)cc3)sc2C1 10220664 VRDSLXGQRLHYDR-AWEZNQCLSA-N 445.566 3.934 0 40 IHAB COC(=O)c1cc(NC(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)ccc1Cl 10332513 XDVDNWQARNLINK-CQSZACIVSA-N 438.933 3.537 0 40 IHAB Cc1nn(C)c(C)c1C(=O)OCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 10952302 KBHNIBFVWLRSPY-GOSISDBHSA-N 440.887 3.818 0 40 IHAB CCN(CC)C[C@@H]1CCCN(C(=O)c2cc(-c3ccncc3)c(N3CCOCC3)s2)C1 12222112 PAFGFMCCIVYVBD-IBGZPJMESA-N 442.629 3.841 0 40 IHAB CCOc1ccc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccc(Cl)cc2)cc1 12291659 OXYQSKGJXKRNST-FRQCXROJSA-N 442.821 3.843 0 40 IHAB CCOC(=O)c1c(NC(=O)CSc2nc(-c3ccccc3O)n[nH]2)sc(C)c1C 12483535 UMSBDVPQHJMNEF-UHFFFAOYSA-N 432.527 3.763 0 40 IHAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)c2cccc(O)c2)cc1 12486885 AMGBEAICPNBKRY-QHCPKHFHSA-N 430.460 3.936 0 40 IHAB CC(C)[C@H](N[C@H](C)C(=O)N1CCN(c2ccccc2)CC1)c1ccc2c(c1)OCCCO2 12606189 IDMYFKWBUNGMFA-NLFFAJNJSA-N 437.584 3.872 0 40 IHAB CCOC(=O)C[C@H](c1ccc(F)cc1)C1CCN(C(=O)[C@H](C)NC(=O)C(C)(C)C)CC1 12732278 UADLYMZFDNKRCW-OXJNMPFZSA-N 434.552 3.652 0 40 IHAB CCNC(=O)c1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)c1 12770165 RYBHLKKNRLYWPG-UHFFFAOYSA-N 449.960 3.517 0 40 IHAB O=C(c1ccc(-c2ccc(Cl)cc2)o1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 12871877 QXVKYTVWZXSQLX-UHFFFAOYSA-N 448.903 3.886 0 40 IHAB COc1ccc(OCCOC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1 12903366 XITGXAXPKOLRCB-KIZRYQFWSA-N 427.541 3.825 0 40 IHAB Cc1noc(C)c1COc1ccc(CC(=O)OCC(=O)Nc2cccnc2Cl)cc1 13063012 JMYJFJHCCINRDU-UHFFFAOYSA-N 429.860 3.643 0 40 IHAB COc1ccc(CNC(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)cc1OC 13129948 AKPJTXUHBFORHU-UHFFFAOYSA-N 444.484 3.574 0 40 IHAB Fc1ccccc1[C@H](c1nnnn1Cc1ccccc1)N1CCN(c2ccccc2)CC1 13504688 PSIHTZTYTWSLNA-XMMPIXPASA-N 428.515 3.772 0 40 IHAB O=C(Nc1cccnc1)c1ccc2nc(NS(=O)(=O)c3ccc(F)cc3)sc2c1 13692323 NLOADFYQKWUAOW-UHFFFAOYSA-N 428.470 3.884 0 40 IHAB CC[C@H](C(=O)NCCSCc1cccc(Cl)c1)N(c1ccccc1)S(C)(=O)=O 13711173 ACYUOICHGQHATB-LJQANCHMSA-N 441.018 3.934 0 40 IHAB COc1ccc(OC)c(C2=NO[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)c2ccccc2)c1 15972768 RXTIMXBQPXTKHI-SQJMNOBHSA-N 428.444 3.785 0 40 IHAB CNc1c(NS(=O)(=O)c2ccc(NC(=O)CC(C)C)cc2)c(=O)oc2ccccc12 16575037 JCJNJRKWTOSLQR-UHFFFAOYSA-N 429.498 3.620 0 40 IHAB Cc1cc(-c2cnc(NC3CC3)nc2C2CCN(C(=O)c3cc(C4CC4)n[nH]3)CC2)on1 19122998 OCWIVVDAOJIJBU-UHFFFAOYSA-N 433.516 3.635 0 40 IHAB COc1cccc(-c2cc(-c3cccnc3)nn2CCNC(=O)[C@@H](C)n2nccc2C)c1 19238328 HWLDLVALDQPKBX-GOSISDBHSA-N 430.512 3.503 0 40 IHAB Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@@H]2CCCN(C(=O)Cc3cccc(F)c3)C2)n1 19290143 LCGHQTBOBWNVGT-LJQANCHMSA-N 448.546 3.565 0 40 IHAB Cn1cc(CCC(=O)N2C[C@@H](c3ccccc3F)[C@@]3(CCCC(=O)N3)C2)c2ccccc21 19290425 IGRTVHSENKANDS-HFZDXXHNSA-N 433.527 3.915 0 40 IHAB O=C(NCCc1ccc(F)cc1)c1cc(C2CCN(C(=O)c3ccccc3F)CC2)no1 19347460 PWVUGFHIACTKHD-UHFFFAOYSA-N 439.462 3.945 0 40 IHAB COc1ccc(CC(=O)N2C[C@@H](c3cc(F)cc(F)c3)[C@@]3(CCCCC(=O)N3)C2)cc1 19554328 MATRZTJXQNBZOB-XUZZJYLKSA-N 428.479 3.571 0 40 IHAB CN(C)c1ncc(-c2cccc(F)c2)c([C@@H]2CCCCN2C(=O)c2n[nH]c3c2CCC3)n1 19694291 GZDZRFFMPOITEI-FQEVSTJZSA-N 434.519 3.928 0 40 IHAB CCn1nc(C)c(CN2CCO[C@H](c3c(C(=O)NC(C)C)sc4ncccc34)C2)c1C 19703207 HBLGEMCWTGDLFG-IBGZPJMESA-N 441.601 3.841 0 40 IHAB Cc1nc([C@@]2(O)CCCN(Cc3ccnn3C)CC2)sc1COc1ccc(F)c(F)c1 19705352 QAXMEXYWLLKFRW-JOCHJYFZSA-N 448.539 3.916 0 40 IHAB CC(C)c1nc2sc3c(NCCN4CCOCC4)ncnc3c2c2c1COC(C)(C)C2 19873365 MHEFZXOOIDDYCN-UHFFFAOYSA-N 441.601 3.958 0 40 IHAB O=c1nc(CN2CCN(C[C@@H]3CCCO3)CC2)[nH]c2cc(-c3ccc(Cl)cc3)sc12 22781638 KATTXRJSMGQPHN-KRWDZBQOSA-N 444.988 3.602 0 40 IHAB CCOC(=O)C1CCN([C@@H](c2cccc(F)c2)c2sc3nc(CC)nn3c2O)CC1 22853485 AOEIHJUPVRUWDN-KRWDZBQOSA-N 432.521 3.562 0 40 IHAB Cc1cccc(CN2CCN(C(=O)CSc3nc(-c4ccc(Cl)cc4)n[nH]3)CC2)c1 23029429 LEFQUVWNLQJNIN-UHFFFAOYSA-N 441.988 3.870 0 40 IHAB O=C(c1cc(=O)c2ccccc2o1)N1CCN(Cc2nc(-c3cccs3)cs2)CC1 23137351 BJHOGTNYTWGBKL-UHFFFAOYSA-N 437.546 3.936 0 40 IHAB Oc1nc(N2CCN(Cc3ccccc3)CC2)nnc1Cc1ccc(Cl)c(Cl)c1 23409455 OZUIVGZYMUAUCJ-UHFFFAOYSA-N 430.339 3.797 0 40 IHAB COc1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(C)c2)cc1OC 30854106 PEMNNBQLRYMUAX-UHFFFAOYSA-N 440.521 3.743 0 40 IHAB O=S(=O)(NCCc1csc(-c2ccncc2)n1)c1ccc(Br)s1 31773252 UFSRSIQECWMZHS-UHFFFAOYSA-N 430.374 3.550 0 40 IHAB CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 32787162 VWCANZNBNULTDG-NZQKXSOJSA-N 439.581 3.620 0 40 IHAB O=C(OCc1cc(-c2ccc(Cl)cc2)no1)c1ccc(N2CCCS2(=O)=O)cc1 32885762 ZVWRRDXHSSFQLC-UHFFFAOYSA-N 432.885 3.892 0 40 IHAB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(Cl)cc([N+](=O)[O-])c3O)C2=O)o1 33750587 HCHBWYNVANFWCX-WLRTZDKTSA-N 438.801 3.570 0 40 IHAB CCCCOc1ccc(C(=O)Nc2cc(C(=O)N3CCCCCC3)cn(C)c2=O)cc1 36685893 LJQDTPPZEMNJSC-UHFFFAOYSA-N 425.529 3.833 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(Cc4ccccc4)s3)C2)cc1 36705276 FQWWEAIQDMUZQG-QGZVFWFLSA-N 429.567 3.706 0 40 IHAB CCN1CCN(c2ccc(NC(=O)[C@H]3CCCN(c4ncccc4Cl)C3)cc2)CC1 40134960 YZOJFSDENYNNFZ-SFHVURJKSA-N 427.980 3.732 0 40 IHAB CCOc1cccc(CNC(=O)CN2c3ccc(F)cc3-c3ccccc3S2(=O)=O)c1 44880250 XNKDBWDJZLOBOS-UHFFFAOYSA-N 440.496 3.717 0 40 IHAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 44902743 WSOSQRRZUGIREN-XUZZJYLKSA-N 442.625 3.799 0 40 IHAB Cc1cc(OCC(=O)Nc2ccc(C)c(F)c2)nc(N2CCN(c3ccccc3)CC2)n1 48985751 GOWWQDWCXNNAJX-UHFFFAOYSA-N 435.503 3.577 0 40 IHAB Cc1cccc(NC(=O)CSc2nc3[nH]ncc3c(=O)n2-c2ccc(F)c(F)c2)c1C 51316764 ARWAZCQSDUUBKS-UHFFFAOYSA-N 441.463 3.735 0 40 IHAB O=C(CSc1nc2[nH]ncc2c(=O)n1-c1ccc(F)c(F)c1)Nc1ccccc1Cl 51316806 WZNBCOIDBWUMBD-UHFFFAOYSA-N 447.854 3.771 0 40 IHAB Cc1cccc(C)c1NC(=O)Cn1c(=O)n(-c2cc(F)cc(F)c2)c(=O)c2sccc21 57429036 KIDOYYJOUODBNI-UHFFFAOYSA-N 441.459 3.748 0 40 IHAB Cc1ccc(NC(=O)CSc2ncnc3nc(N4CCOCC4)sc23)c(Cl)c1 57506932 JWQGDPCLCTZEHU-UHFFFAOYSA-N 435.962 3.616 0 40 IHAB CCOC(=O)c1ccc(NC(=O)Cn2c(Nc3ccc(F)c(C)c3)nc(C)cc2=O)cc1 57507593 SWAQAYSJIHWDMK-UHFFFAOYSA-N 438.459 3.558 0 40 IHAB COc1ccc([C@H](NCC(=O)Nc2ccccc2C(=O)NC2CC2)c2ccccc2)cc1 58157225 DOORJEGYOPZMNM-RUZDIDTESA-N 429.520 3.905 0 40 IHAB CN(CC(=O)Nc1cccc(Cl)c1)C(=O)c1cc(Br)c2c(c1)OCCO2 60300566 SOHOEYRJMANZGM-UHFFFAOYSA-N 439.693 3.584 0 40 IHAB O=C1C[C@H](C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)CN1Cc1ccccc1 60390598 YHCNIUXMGJDCHT-RBUKOAKNSA-N 435.549 3.857 0 40 IHAB O=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccc(F)cc2)cc1)C1CCCCC1 67896567 VCKVKHSIUMBPAU-ISKFKSNPSA-N 440.515 3.806 0 40 IHAB biogenic,in-vitro O=C(Cc1ccccn1)N1CCC[C@H]1c1ccnc(Nc2cc(C(F)(F)F)ccn2)n1 72377900 YDHXLSQAYDPRSO-KRWDZBQOSA-N 428.418 3.935 0 40 IHAB Cc1ccc(CN2CCC3(CC2)COc2ccccc2S(=O)(=O)N(CC(C)C)C3)o1 96037155 GGWVTFSTIIYXPJ-UHFFFAOYSA-N 432.586 3.910 0 40 IHAB CC(C)Cn1nc(CC(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)c2ccccc2c1=O 96232385 VLASAOWXBYAFFN-QHCPKHFHSA-N 431.540 3.985 0 40 IHAB O=C(O)c1cccc(Nc2cnn(C34C[C@@H]5CC(C[C@H](C5)C3)[C@@H]4C(=O)O)c(=O)c2Cl)c1 101274661 QUJOCYYXDDYAMA-OSKXVGOFSA-N 443.887 3.575 0 40 IHAB O=C1N[C@H](c2cccc(C(F)(F)F)c2)[C@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1 106213477 WRFPKUKAJNLGHY-LALPHHSUSA-N 438.349 3.871 0 40 IHAB Cc1cc(C)cc(N(CCCC(=O)Nc2ccccc2C(=O)NC(C)C)S(C)(=O)=O)c1 222569738 KHHREWTXQIQKGK-UHFFFAOYSA-N 445.585 3.627 0 40 IHAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(-c3ccccc3)o2)N1CCN1CCOCC1 223156550 ZSOCFEBTDRZOAC-DHIUTWEWSA-N 434.565 3.646 0 40 IHAB COc1cc(C)c([C@H](C)NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1C(C)C 223373807 NJHXLCNXTSRXNB-HNNXBMFYSA-N 425.572 3.570 0 40 IHAB CC(C)OCCCNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 224433754 LOSSQPYGZAKEJE-UHFFFAOYSA-N 438.977 3.706 0 40 IHAB COc1cc(CN2CCN(C(=S)Nc3cc(C)cc(C)c3)CC2)cc(OC)c1OC 225222994 NIKCZNSOJGPLMT-UHFFFAOYSA-N 429.586 3.844 0 40 IHAB O=C(NC[C@H]1COc2ccccc2O1)C1CCN(Cc2ccc(Br)cc2)CC1 225269960 GCUFRXLYUOVHSV-IBGZPJMESA-N 445.357 3.617 0 40 IHAB CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)COc1cccc(Cl)c1 225468949 BNPNAUPHPIWYKM-CYBMUJFWSA-N 439.737 3.645 0 40 IHAB Cc1n[nH]c(SCCNC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)n1 225906990 RRQYAXITOVFULX-CQSZACIVSA-N 428.389 3.540 0 40 IHAB Cc1noc(C)c1C(=O)N1CCC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 252510194 ZDKLRSWZAUIXOK-UHFFFAOYSA-N 436.478 3.737 0 40 IHAB CCN(CC)S(=O)(=O)N1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1OCCC[C@@H]12 257318106 VMNSOPLBZGZFTB-PKOBYXMFSA-N 428.982 3.621 0 40 IHAB O=C(NCc1ccc(F)c(F)c1)c1nc(-c2ccnn2-c2ccccc2)n2ccncc12 306131354 KCIDQKRPVCAZPU-UHFFFAOYSA-N 430.418 3.790 0 40 IHAB COc1ccc(OC)c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)cc(C)cc3C)C2)c1 408561451 SPMPEBBMRBVBGL-SFHVURJKSA-N 446.569 3.668 0 40 IHAB CCCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC(C)C)c2)cc1 408597910 WJQIHQBDHOONHZ-UHFFFAOYSA-N 432.542 3.891 0 40 IHAB CC(=O)Nc1cccc(NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)c1 408601642 BAAXSHRXCWTEKU-UHFFFAOYSA-N 441.484 3.618 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1ccccc1C(F)(F)F 408627208 YJZOGCXZHCMWID-SNVBAGLBSA-N 436.839 3.673 0 40 IHAB CCC(=O)Nc1cc(S(=O)(=O)Nc2ccc(Br)cc2F)ccc1OC 408696430 BICFMEYSYDPILW-UHFFFAOYSA-N 431.283 3.746 0 40 IHAB COc1cc(/C=C(\Sc2n[nH]c(C)n2)C(=O)O)ccc1OCc1ccc2c(c1)OCO2 409188939 KUXNFIOTZFEWME-OCKHKDLRSA-N 441.465 3.647 0 40 IHAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)cc1 409205541 PEIVHSXJIAOCEO-ZDUSSCGKSA-N 430.448 3.800 0 40 IHAB COCC(=O)N1CCCCCCCN(Cc2cncs2)Cc2cc(C(=O)O)ccc21 643583007 FRBSHRVBIORYBG-UHFFFAOYSA-N 431.558 3.787 0 40 IHAB CCCN1CC(=O)N2CC[C@@H](CC(=O)N(CC)CC)[C@@H](C=CCOc3ccccc3C1)C2 958317829 QNEYLZAAXHREPT-VXKWHMMOSA-N 441.616 3.570 0 40 IHAB CCc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)c3cccs3)n2)cc1 797076 UUXSBPZXWCJCSA-UHFFFAOYSA-N 432.509 3.855 0 40 IHAB CCN(C(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1)c1ccccc1 869194 VCPQMPPAUXYLOS-QHCPKHFHSA-N 438.524 3.994 0 40 IHAB CCc1cc(=O)oc2c(C)c(OC(=O)[C@H](CC)NS(=O)(=O)c3ccc(C)cc3)ccc12 2092629 NGPYAHHYZIPJHJ-IBGZPJMESA-N 443.521 3.635 0 40 IHAB biogenic COc1cc(C(=O)Nc2ncc3c(n2)C[C@@H](c2ccccc2)CC3=O)cc(OC)c1OC 2410805 HAUFFYRIGRFVBY-OAHLLOKOSA-N 433.464 3.667 0 40 IHAB CC(=O)Nc1sc(C)c(C)c1C(=O)OCc1cc(=O)n2c(n1)sc1ccccc12 3429605 XUKCDDXAQLVWOI-UHFFFAOYSA-N 427.507 3.903 0 40 IHAB Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccccc3)C(=S)NCCCN(C)C)cc2c1 6300481 JIIQJNQHBXVAEP-UHFFFAOYSA-N 436.625 3.973 0 40 IHAB COCCNC(=S)N(Cc1ccc(OC)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O 6301430 NQGMHBUBYVYHCM-UHFFFAOYSA-N 439.581 3.677 0 40 IHAB Cc1ccccc1OCC(=O)NC(=S)Nc1ccc(I)cc1F 8831296 RAOZYYZIDAIWHW-UHFFFAOYSA-N 444.269 3.631 0 40 IHAB COc1cc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2cccnc2)ccc1O 8846103 AHGCFHMKWSXISH-JOCHJYFZSA-N 428.444 3.956 0 40 IHAB CC(C)c1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2[C@H]2CCS(=O)(=O)C2)cc1 8917052 WNKOOTZLXXNYMW-UWJYYQICSA-N 437.517 3.649 0 40 IHAB COc1c(F)c(F)cc2c(=O)c(C(=O)Nc3cccc(NC(C)=O)c3)cn(C3CC3)c12 9049773 QALPKCAWORIVDS-UHFFFAOYSA-N 427.407 3.834 0 40 IHAB COc1ccccc1CCNC(=O)[C@@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1 9050760 NALGSKPELYSSCS-OAQYLSRUSA-N 433.552 3.707 0 40 IHAB Cc1c(CCC(=O)Nc2nnn[nH]2)c(=O)oc2c(C)c3occ(-c4ccccc4)c3cc12 9134044 WQAMUVMAKPSHAT-UHFFFAOYSA-N 429.436 3.907 0 40 IHAB CC(=O)Oc1cc(OC(C)=O)c2c(C)c(CC(=O)NCCC3=CCCCC3)c(=O)oc2c1 9340298 BEVHAESZGFOUBL-UHFFFAOYSA-N 441.480 3.501 0 40 IHAB Cc1ccc(N2C[C@@H](C(=O)Nc3nnc(SCc4cccnc4)s3)CC2=O)cc1C 9517983 OTCRHLHITVVLJN-INIZCTEOSA-N 439.566 3.834 0 40 IHAB COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2C(F)(F)F)c(OC)c1 9540096 IBZWDHGXRKDETC-GOSISDBHSA-N 435.402 3.989 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cccc(C(F)(F)F)c2)cc1 9575791 UILSJWOVDYCNOP-SFHVURJKSA-N 442.459 3.896 0 40 IHAB CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(COc3ccc(OC)cc3)o2)c1C 9589432 XKVWRHPXYNQBBI-UHFFFAOYSA-N 445.497 3.754 0 40 IHAB O=C(CSc1nnc(N2CCOCC2)n1Cc1ccccc1)c1c[nH]c2ccccc12 9726668 ZXNBOYBSTULHMK-UHFFFAOYSA-N 433.537 3.619 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)/C=C/c3cccc(C(F)(F)F)c3)CC2)cc1 9783604 KVLMLAMSQFLWGI-JXMROGBWSA-N 438.471 3.560 0 40 IHAB CC(=O)c1ccc(N2CCN(C(=O)CSc3nccn3-c3cccc(F)c3)CC2)cc1 9865506 LTSLEARUAQUFMJ-UHFFFAOYSA-N 438.528 3.655 0 40 IHAB CCOc1ccccc1N1CCN(C(=O)CSCc2cc(C(C)=O)ccc2OC)CC1 9950522 GCXKRKMUCNQNSU-UHFFFAOYSA-N 442.581 3.879 0 40 IHAB CCn1c(SCC(=O)Nc2ccc(F)c(F)c2F)nnc1-c1ccc2c(c1)OCO2 10230842 BDWCWWQLOJEKBJ-UHFFFAOYSA-N 436.415 3.842 0 40 IHAB CCS(=O)(=O)c1ccccc1C(=O)N(CCN(C)C)c1nc2c(C)cccc2s1 12342336 QPYDZVNJDXRJHH-UHFFFAOYSA-N 431.583 3.607 0 40 IHAB Cc1ccc([C@H](NCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)c2ccccc2)cc1 12567547 HCFZGPZUQGNCMC-UKILVPOCSA-N 440.609 3.632 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCN(C)c3ccccc3)cc2)cc1 12611601 GRDBKOACRYBOBM-UHFFFAOYSA-N 437.565 3.686 0 40 IHAB CS(=O)(=O)c1cccc(C(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)c1 12758544 IZJHBAIOAVUKLP-UHFFFAOYSA-N 445.544 3.932 0 40 IHAB COc1cc(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCCC4)cc(OC)c1OC 12778140 JNGAUGOAQDJZKU-UHFFFAOYSA-N 437.496 3.791 0 40 IHAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)/C=C/c2ccc(Br)o2)c1 12821731 VHRRPHGURXYKGL-PKNBQFBNSA-N 427.320 3.725 0 40 IHAB C[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)c1ccc(OC(F)F)cc1 12825365 XWZLLMKXJDKDBK-LLVKDONJSA-N 432.876 3.683 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccc2oc(C)nc2c1 12876908 QPNQSJNDHHUNDA-UHFFFAOYSA-N 443.525 3.962 0 40 IHAB COc1ccccc1-c1nnc(SCC(=O)N2CCC[C@@H](C)C2)n1Cc1ccco1 12888373 RVYSCYWEGXOXER-MRXNPFEDSA-N 426.542 3.946 0 40 IHAB C[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(OC(F)F)cc1 12914970 BDZQOBNIKNLFOT-VIFPVBQESA-N 439.267 3.900 0 40 IHAB CCOc1cc2c(cc1NC(=O)c1cc(C)c(C)c(S(=O)(=O)N(C)C)c1)O[C@@H](C)C2 12978476 YICQKHGXPIJVIL-AWEZNQCLSA-N 432.542 3.528 0 40 IHAB C[C@@H]1Cc2cc(C(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)ccc2N1S(C)(=O)=O 13114764 AYPQBYGQMIMGFM-CQSZACIVSA-N 428.510 3.691 0 40 IHAB C[C@H](NC(=O)CSc1nnc(-c2ccc(F)cc2)n1N)c1ccc2c(c1)CCCC2 13115030 YYAAARMUYMWFFP-AWEZNQCLSA-N 425.533 3.646 0 40 IHAB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc(OC)c1OC 15012607 KWSAEQDWGMJKJE-WOJGMQOQSA-N 442.493 3.696 0 40 IHAB CSCC[C@H](NC(=O)C[C@H]1Sc2ccccc2NC1=O)c1nc2ccccc2[nH]1 16646100 FPBOXHFNXNWQMM-FUHWJXTLSA-N 426.567 3.976 0 40 IHAB Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2Cc3ccccc3CN2)c(C)c1 17056855 LTPSFSITJKQBID-LOSJGSFVSA-N 427.548 3.684 0 40 IHAB c1ccc(-c2cnc3c(c2)[C@@H](N2CCOCC2)n2nc(-c4cccnc4)nc2S3)cc1 19374042 DBCPVCDIXFKJFF-QFIPXVFZSA-N 428.521 3.746 0 40 IHAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN3C(=O)c3c(C)cc(C)[nH]c3=O)cc2N1 19520728 RWUPGZRYMSJLLC-FVQBIDKESA-N 437.466 3.863 0 40 IHAB Cc1nc(C)c(S(=O)(=O)N2CCC(c3nc4cnccn4c3NC(C)(C)C)CC2)s1 19560565 BDBKQONODAZMKO-UHFFFAOYSA-N 448.618 3.581 0 40 IHAB Cc1sc2ncn(CC3(O)CCN(Cc4ccc(OC(C)C)cc4)CC3)c(=O)c2c1C 19561547 KVKUZERYAAHUHP-UHFFFAOYSA-N 441.597 3.889 0 40 IHAB Cc1nc([C@H]2CCCN2C(=O)c2cccnc2)nc2c1CCC(=O)N2CCc1ccccc1 19696071 ZMFQBFYRFBXZLC-JOCHJYFZSA-N 441.535 3.679 0 40 IHAB COc1cccc(CCN2C(=O)CCc3c(C)nc(CN(C)C(=O)C[C@@H]4C=CCC4)nc32)c1 19698642 YORSENLRZJOROH-LJQANCHMSA-N 448.567 3.630 0 40 IHAB CC(C)n1c(CN2CCO[C@@H](c3cc(C(N)=O)c4ccccc4n3)C2)nc2ccccc21 19759609 IXFZOSOSMMUFEK-HSZRJFAPSA-N 429.524 3.838 0 40 IHAB CNc1cc(C(=O)N2CCCC[C@@H]2c2ncc(C(=O)Nc3ccccc3F)c(C)n2)ccn1 19764743 ADZFYVUSVAQVDQ-HXUWFJFHSA-N 448.502 3.981 0 40 IHAB Cc1cc(C)nc(N2CCC[C@@H](c3ncc(C(=O)NCc4ccc(F)cc4)c(C)n3)C2)n1 19765505 AEXCWKZBPVJIKC-LJQANCHMSA-N 434.519 3.645 0 40 IHAB O=C(N[C@]1(C(F)(F)F)N=C(c2ccccc2)N(Cc2ccco2)C1=O)c1ccc(F)cc1 19938885 WGCMQMAODSUUBH-OAQYLSRUSA-N 445.372 3.896 0 40 IHAB COc1ccc(C(=O)NC(=S)Nc2cc(-c3ccc(CO)o3)ccc2C)cc1OC 20153454 WSAJMOOISAQMCJ-UHFFFAOYSA-N 426.494 3.891 0 40 IHAB Cc1c(CCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)c(=O)oc2cc(O)ccc12 20622512 ZYYXSULRFFJDID-VMPITWQZSA-N 432.520 3.597 0 40 IHAB CCc1ccc2nc(N(CCN3CCOCC3)C(=O)CCOc3ccccc3)sc2c1 20743122 CEEYILCVLKHFND-UHFFFAOYSA-N 439.581 3.993 0 40 IHAB COc1ccc(CCC(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)cc1OC 21834355 YELLCQDCGPXHIC-UHFFFAOYSA-N 427.526 3.721 0 40 IHAB O=C(CSc1nnc2scc(-c3ccccc3)n12)N1CCN(Cc2ccccc2)CC1 22337683 GXMHEYSMTNCBTI-UHFFFAOYSA-N 449.605 3.894 0 40 IHAB Cc1ccc(OCCNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2cccs2)cc1 22401351 KODHJEGLFZAHBQ-UHFFFAOYSA-N 448.541 3.586 0 40 IHAB CCOC(=O)c1c(NC(=O)CN(C)Cc2cnn(C)c2)sc(C)c1-c1ccccc1 32539838 LGNRYVMXUFCDBK-UHFFFAOYSA-N 426.542 3.704 0 40 IHAB O=C(NCCSc1ccc(Br)cc1)C1CCN(C(=O)c2ccco2)CC1 32744503 BMTZIPXKRYCOEA-UHFFFAOYSA-N 437.359 3.803 0 40 IHAB CC(C)[C@@H](CNc1nc(CN2CCOCC2)nc2sc3c(c12)CC[C@H](C)C3)N(C)C 32902995 XKTAKTCJWOTUKI-FUHWJXTLSA-N 431.650 3.646 0 40 IHAB COc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(C)cc2O)ccc1F 33028975 VJUGJYZGXJJGJK-UHFFFAOYSA-N 430.457 3.901 0 40 IHAB CC(=O)C1=NN(c2cccc(Cl)c2C)[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]12 35045741 YBRGBAURKIDORR-HKUYNNGSSA-N 430.291 3.933 0 40 IHAB O=C(c1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2[C@H]2CCCN12 35876783 XCJDYDWRJGYROE-MKXGPGLRSA-N 447.293 3.968 0 40 IHAB Cn1cc(C(=O)N2CCCC2)c(O)c1-c1nc2cc(NC(=O)c3cccs3)ccc2n1C 36365226 SGUOMJKVHIUBBZ-UHFFFAOYSA-N 449.536 3.834 0 40 IHAB O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCN(Cc2csc3ccccc23)CC1 36383772 HTCCASAZKPZDCB-UHFFFAOYSA-N 444.578 3.569 0 40 IHAB Cc1nc(SCC(=O)N2CCC(c3nc4ccccc4s3)CC2)sc1CC(N)=O 40025088 BGGFLWOBWGRJAD-UHFFFAOYSA-N 446.623 3.587 0 40 IHAB O=C(NCc1cccc(COCc2ccccc2)c1)[C@@H]1CCCN(C(=O)N2CCCC2)C1 40134209 PBSGOSVFBJDQLQ-XMMPIXPASA-N 435.568 3.947 0 40 IHAB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3Cl)=C(C)Nc3ncnn32)cc1OC 40484528 JSUTURKEKDZUJA-LJQANCHMSA-N 425.876 3.876 0 40 IHAB CC(C)c1ccc(NC(=O)C(=O)NCC2CCN(C(=O)c3ccccc3F)CC2)cc1 43944081 RVEYJJAHORVWAP-UHFFFAOYSA-N 425.504 3.556 0 40 IHAB O=C(COc1ccccc1)N1CCC(CNC(=O)C2(c3cccs3)CCCC2)CC1 43981364 PARJOBCANSZFQI-UHFFFAOYSA-N 426.582 3.994 0 40 IHAB COCc1nn2c(c1-c1ccccc1)N=C(O)C[C@H]2C(=O)Nc1cc(OC)cc(OC)c1 49547305 WSPPXRICGHCEOP-IBGZPJMESA-N 436.468 3.885 0 40 IHAB CCc1cccc2c(C(=O)CN3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)c[nH]c12 57315434 WBISZTIZBODHNV-UHFFFAOYSA-N 433.508 3.992 0 40 IHAB COc1ccc2c(c1OC)C(=O)N1c3ccccc3-c3nc(=O)c(-c4cccs4)nn3[C@@H]21 69701136 XPLKQKVVOUYSSX-QFIPXVFZSA-N 444.472 3.572 0 40 IHAB CCCCN(CCCC)c1ncc(S(=O)(=O)c2cc(Cl)ccc2OC)c(N)n1 71772009 BACSKJZUXKRTAK-UHFFFAOYSA-N 426.970 3.960 0 40 IHAB COc1ccc(CN2CCC3(CC2)C[C@@]2(CO3)NC(=O)c3cc(Cl)ccc3N2)cc1 72325573 WRAWGVUGNFNCSE-QHCPKHFHSA-N 427.932 3.655 0 40 IHAB CCOC(=O)c1cc(C(C)(C)C)sc1NC(=O)C(=O)N[C@H](CCCO)c1ccccc1 84798501 PRGQHZONFGXFBG-QGZVFWFLSA-N 446.569 3.791 0 40 IHAB COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(-c4ccccc4)cc3)n2N)cc1 89444076 NMEBEZPAVQFSEG-UHFFFAOYSA-N 445.548 3.989 0 40 IHAB COc1ccc(C(=O)NCc2ccc(COC(C)C)cc2)nc1I 89887907 WLPVEFJCCUHZHG-UHFFFAOYSA-N 440.281 3.550 0 40 IHAB COc1cccc(CS(=O)(=O)NC[C@@](C)(O)C(c2ccccc2)c2ccccc2)c1 95461894 WAVGWXOEPPSXJC-XMMPIXPASA-N 425.550 3.698 0 40 IHAB O=C(Cc1ccc(Br)cc1)N1[C@H]2CC[C@H]1CC(S(=O)(=O)c1ccccc1)C2 101323040 TUXDVPSGVUPOBM-ROUUACIJSA-N 448.382 3.988 0 40 IHAB CCCCc1ccc(N2C(=O)CS/C2=C(\C(=O)OC)S(=O)(=O)c2ccccc2)cc1 101771611 OYKCQYLJKLKVCA-QZQOTICOSA-N 445.562 3.925 0 40 IHAB CC(C)Oc1cccc(CCCNC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)c1 222520838 AUOWRJLKEHFUSG-UHFFFAOYSA-N 438.977 3.886 0 40 IHAB CCOC(=O)c1cc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)ccc1Cl 222589926 KNPRBNGICAYCEU-UHFFFAOYSA-N 436.917 3.699 0 40 IHAB CCc1ccc2oc(C(=O)Nc3cccc(CS(=O)(=O)NCCOC)c3)c(C)c2c1 223236551 MAGPENMRTGGDIY-UHFFFAOYSA-N 430.526 3.622 0 40 IHAB Cc1cc(Cl)ccc1N(CC(=O)NCCOc1cccc2ccccc12)S(C)(=O)=O 223519639 URIDEGCHMBVGAY-UHFFFAOYSA-N 446.956 3.763 0 40 IHAB CCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1 223570735 WYHZTQLPSUCKFH-RUZDIDTESA-N 432.520 3.980 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)cc1OC 223988034 LZVHYEGEPWBMAD-MRXNPFEDSA-N 440.521 3.996 0 40 IHAB CCc1cccc(C)c1N(CCCC(=O)NCCOc1ccccc1C)S(C)(=O)=O 224843047 KRHAFTZTOSOGPU-UHFFFAOYSA-N 432.586 3.607 0 40 IHAB Cc1cc(N2C[C@H](C)C[C@@H](C)C2)nc(NC(=S)NCc2ccc3c(c2)OCCO3)n1 226015645 HKOORHHVIZBFPH-HUUCEWRRSA-N 427.574 3.525 0 40 IHAB COc1ncc([C@]2(O)CCC[C@@H]3CN(Cc4ccccc4C(F)(F)F)C[C@H]32)c(OC)n1 247908114 XSBMWMRBOQHPKG-FQELHTAISA-N 437.462 3.632 0 40 IHAB Cc1nc2cc([C@H]3CCN(C4CCCCC4)C3)nn2c(O)c1CCC(=O)NC1CCCC1 257210882 BWNUTRJMNWAFLI-SFHVURJKSA-N 439.604 3.857 0 40 IHAB COc1ccc(CC(=O)N2CCCC[C@@H]2c2nnc(-c3cnccn3)o2)c2ccccc12 257260495 LDDILMZWKCMFRJ-HXUWFJFHSA-N 429.480 3.985 0 40 IHAB Cc1ccc(Oc2c(F)cccc2O[C@@H]2CCC[C@@H](N(C)C(=O)CCC(=O)O)[C@H]2O)cc1 257280491 OLBVYVDETUJQMX-DNVFCKCGSA-N 445.487 3.910 0 40 IHAB COc1ccc(F)cc1-c1ccc2nc([C@H]3CCCN(C(=O)c4cc(C)on4)C3)nn2c1 306131058 JVJXJDHQBURTPU-INIZCTEOSA-N 435.459 3.860 0 40 IHAB Cc1cc(C)cc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4C3=O)c2)c1 408655606 HUAXCEDRZSWHEE-DODAUVCRSA-N 446.503 3.634 0 40 IHAB Cc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(C)cc2)cc1 409073835 TZDSJLUCLQKCAP-WSBKAMHLSA-O 432.931 3.973 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cnn(C2CCCCC2)c1C 510353173 MGWSSIFGOLUSES-UHFFFAOYSA-N 444.601 3.930 0 40 IHAB CC1(C)CC[C@@H]2C[C@H](NC(=O)NCc3ccc([C@@]4(C)NC(=O)NC4=O)cc3)c3cccc1c32 537364636 ZHBPJQJMLLNLPF-MKVPFSFESA-N 446.551 3.840 0 40 IHAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)N1CCCc2ccc(S(=O)(=O)N(C)C)cc21 606231726 FOXZWSQGBSGDHP-PIPMEXSNSA-N 436.618 3.694 0 40 IHAB CC1(C)[C@H](c2cc(F)c(F)c(F)c2)CCN1C(=O)c1ccc(CN2C(=O)CNC2=O)cc1 1646176364 OKKAYNCKCHQCLT-INIZCTEOSA-N 445.441 3.564 0 40 IHAB CCN1CCN(Cc2ccccc2C(=O)O)C[C@H](Cc2ccccc2-c2cccnc2)C1=O 1848354131 MFLQTTHYBKCJDK-QHCPKHFHSA-N 443.547 3.970 0 40 IHAB COc1ccccc1NC(=O)Cn1nnc(-c2ccccc2NC(=O)c2ccc(C)cc2)n1 1372757 QOFSVYPZTTZADQ-UHFFFAOYSA-N 442.479 3.548 0 40 IHAB CCOC(=O)C(C(=O)OCC)=c1ccc2c(c1)N1C3=C(CCCC3)C[C@H]3CCCC[C@@]31N=2 2105683 KWADPUSLUQDVEO-BCHFMIIMSA-N 436.552 3.521 0 40 IHAB biogenic COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CC(C)C)CC(=O)N32)c(OC)c1 2153179 CNTURQDTTYMYSJ-SQJMNOBHSA-N 447.535 3.526 0 40 IHAB biogenic COc1ccc2c(c1OC)C(=O)O[C@@H]2c1c(O)nc(=S)n(-c2ccccc2C)c1O 2268390 IWUFJMODKFQUEV-INIZCTEOSA-N 426.450 3.598 0 40 IHAB O=C(COC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)NCc1ccc(F)cc1 2648982 HACSITIUPDJVDG-JOCHJYFZSA-N 434.467 3.547 0 40 IHAB O=c1c2ccccc2nnn1CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1 3348475 NSXDYUPRBPVNPW-UHFFFAOYSA-N 430.468 3.928 0 40 IHAB COc1ccccc1NC(=O)c1ccc(NC(=O)COC(=O)c2cccnc2Cl)cc1 3373410 JIZWRDGWECURSQ-UHFFFAOYSA-N 439.855 3.791 0 40 IHAB C[C@@H]1CN(C(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(F)cc2F)C[C@@H](C)O1 3469726 DNBDNDGABQLVKI-HUUCEWRRSA-N 444.507 3.940 0 40 IHAB O=C(Nc1cccc(C(F)(F)F)c1)O[C@@H]1CO[C@@H]2[C@@H](NCC3CCCCC3)CO[C@H]12 4236475 QBUOUQBVGIKORA-WJFTUGDTSA-N 428.451 3.959 0 40 IHAB biogenic,in-vitro CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)[C@H](O)[C@@H](O)C(=O)O[C@H]1C[C@H](C)CC[C@H]1C(C)C 4333123 HSENALUPARAQJF-PSGZAVAVSA-N 426.594 3.716 0 40 IHAB CCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2cccnc2)ccc1OC 6261665 SVXTYGZOUDAMOG-UHFFFAOYSA-N 425.510 3.553 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NCC(=O)Nc2cccc(Cl)c2C)c1 9218555 XPVNXYHBIVJGHQ-UHFFFAOYSA-N 439.965 3.738 0 40 IHAB CCOC(=O)N1CCN(C(=O)c2csc(Nc3ccc(OC(F)(F)F)cc3)n2)CC1 9239936 ISXPZIAOGZXLAG-UHFFFAOYSA-N 444.435 3.700 0 40 IHAB CCn1c(COc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2 9303676 FHYMYLFXTLQBSI-AWEZNQCLSA-N 426.498 3.725 0 40 IHAB CCC[C@@]1(c2ccccc2)NC(=O)N(Cc2cc3c(cc2Br)OCO3)C1=O 9494083 XSQMVSFXPWXIAL-FQEVSTJZSA-N 431.286 3.925 0 40 IHAB CC(C)[C@@H](NC(=O)CSc1nnc(-c2cccnc2)o1)c1ccc2c(c1)OCCCO2 9580535 NNPMHCOETKSSME-HXUWFJFHSA-N 440.525 3.899 0 40 IHAB O=C(CSc1nnc(-c2cccs2)o1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 9633001 IIPPMZDANLFHNE-UHFFFAOYSA-N 449.579 3.948 0 40 IHAB C[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)NCc2ccc(Cl)cc2Cl)C1=O 9664570 COAJSFPTFPAHHY-LJQANCHMSA-N 440.714 3.730 0 40 IHAB O=C(c1ccc(Cl)cc1)N1CCCC[C@@H](Sc2nnnn2-c2cccc(F)c2)C1=O 9867496 XCZKYUVXVYYNAB-QGZVFWFLSA-N 445.907 3.768 0 40 IHAB CCCCc1ccc(N2C(=O)CS/C2=C(/C(=O)OC)S(=O)(=O)c2ccccc2)cc1 9972232 OYKCQYLJKLKVCA-MRCUWXFGSA-N 445.562 3.925 0 40 IHAB COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=S)N[C@@H]1c1cc(OC)c(O)c(OC)c1 11208364 CTNHSNXLAVCIBP-HXUWFJFHSA-N 442.537 3.909 0 40 IHAB O=C(NC[C@H](c1ccco1)N1CCc2ccccc2C1)C(=O)Nc1ccc(F)c(Cl)c1 12342366 UQRHWPZQKNWMDF-HXUWFJFHSA-N 441.890 3.926 0 40 IHAB COc1cccc(N(C(=O)c2csnn2)[C@H](C(=O)NC2CCCC2)c2ccccc2)c1 12471996 PRGWGUWIMDNIEF-NRFANRHFSA-N 436.537 3.994 0 40 IHAB CN(C)S(=O)(=O)c1ccc(C(=O)Oc2ccc3nc(N4CCCCC4)sc3c2)cc1 12488919 PAWAXVPNYRBFLM-UHFFFAOYSA-N 445.566 3.756 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3nc4c(s3)C[C@@H](C)CC4)C2)s1 12858217 HVSHUQRIZMCHFY-GXTWGEPZSA-N 439.628 3.677 0 40 IHAB COc1ccc([C@@H](C(=O)NC(C)(C)C)N(Cc2ccccc2)C(=O)c2csnn2)cc1 12871590 RLXHHXJKHKGLDI-FQEVSTJZSA-N 438.553 3.845 0 40 IHAB COc1ccc(CCNc2nc(C(F)(F)F)nc3c2nnn3Cc2ccccc2)cc1 12881121 QPHOOGMOPYZGOA-UHFFFAOYSA-N 428.418 3.952 0 40 IHAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCC(=O)c3ccc(F)cc3)cc2)C1 13148612 OMLKZIRMEGBRCL-IYBDPMFKSA-N 433.501 3.532 0 40 IHAB O=c1c(C(c2ccc(O)cc2)c2c(O)[nH]c3ccccc3c2=O)c(O)[nH]c2ccccc12 13839849 JFNBBBYVFHFOIJ-UHFFFAOYSA-N 426.428 3.667 0 40 IHAB Cc1cc(S(=O)(=O)N(C)C)cc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1C 14870102 OXQTWNCTXTYRHZ-UHFFFAOYSA-N 437.370 3.661 0 40 IHAB CCN(Cc1ccc(OC)c(F)c1)C(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCO2 15301147 ADCWITHTZAUXGH-FQEVSTJZSA-N 428.504 3.791 0 40 IHAB O=C1c2ccccc2N[C@@H](c2cc(Br)c3c(c2)OCO3)N1C[C@H]1CCCO1 15503798 BOHMAYFVEBJQKT-BFUOFWGJSA-N 431.286 3.923 0 40 IHAB COc1ccc(NC(=O)c2ccc3ncsc3c2)cc1S(=O)(=O)N1CCCCC1 16043713 WWSFAAMBUWCPIL-UHFFFAOYSA-N 431.539 3.732 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1cccc(Cl)c1Cl 16188392 YSWRKRVKRZMWBO-UHFFFAOYSA-N 437.732 3.915 0 40 IHAB Cc1c(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)oc2ccc(Cl)cc12 17846720 XUPGPHZRHBDHMT-UHFFFAOYSA-N 432.929 3.682 0 40 IHAB CC(C)c1ccccc1OCC(=O)N1CCC[C@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 19453362 HUPPEVUHAXDXDD-RYQLBKOJSA-N 433.503 3.710 0 40 IHAB CCCC(=O)N1CCC(c2cc3nc4c(c(O)n3n2)CN(C[C@H]2CC=CCC2)CC4)CC1 19501163 LLPGCLUKQOZLIC-SFHVURJKSA-N 437.588 3.655 0 40 IHAB CCCN1CCN(C(=O)c2nccn2C)C[C@H](Cc2ccccc2-c2ccccc2)C1=O 19503228 BPUATXWWAXBHCW-QFIPXVFZSA-N 430.552 3.640 0 40 IHAB Cc1c(-c2cc(-c3cnn(C)c3C)n(-c3nc(C4CC4)cc(C(F)(F)F)n3)n2)cnn1C 19635682 QPOMCBKYCNPHON-UHFFFAOYSA-N 442.449 3.976 0 40 IHAB CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@@H]2CCCN(Cc3ccccc3F)C2)n1 19694679 ZAWDKBXCKRENPY-HXUWFJFHSA-N 433.531 3.827 0 40 IHAB Cc1cnc(-c2nc(CN(C)C[C@@H]3CC=CCC3)ncc2C(=O)NCc2ccccc2)cn1 19696828 LRFCQVBMOQEDPS-OAQYLSRUSA-N 442.567 3.960 0 40 IHAB COc1ccccc1CN1C(=O)CCc2c(C)nc([C@@H]3CCCN3C3CCOCC3)nc21 19741885 DXICCHKBMASKOM-NRFANRHFSA-N 436.556 3.589 0 40 IHAB COc1ccccc1OCC(=O)N1CC[C@H](c2cc(C(=O)NC(C)C)c3ccccc3n2)C1 19761269 XAGKWBRRWOMWJY-SFHVURJKSA-N 447.535 3.777 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N[C@H](C)c2ccc(OC)c(OC)c2)cc1 20024477 NDIKHYXHHHNZQT-QGZVFWFLSA-N 448.585 3.544 0 40 IHAB CCCn1c(SCc2nc3sc(C)c(-c4ccc(C)cc4)c3c(=O)[nH]2)n[nH]c1=O 21244487 KUCDPRSESXABLD-UHFFFAOYSA-N 427.555 3.856 0 40 IHAB CCOc1cc(/C=C/C(=O)O)c(Br)cc1OCC(=O)NCc1ccccc1 22077360 UMSCBTJDCSPLBM-CMDGGOBGSA-N 434.286 3.641 0 40 IHAB Cc1noc2nc(-c3ccccc3)cc(C(=O)N(C)Cc3nc4ccsc4c(=O)[nH]3)c12 22321996 HENJMKYSCWQXGA-UHFFFAOYSA-N 431.477 3.768 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)NC(C(C)C)C(C)C)c2ccccc2)cc1C 22386457 WATOIRZDJLTUBI-UHFFFAOYSA-N 432.586 3.996 0 40 IHAB O=C(CN1CCN(CCOc2ccccc2)CC1)Nc1cc(C(F)(F)F)ccc1Cl 22801693 PWTRLQXYYCLRDW-UHFFFAOYSA-N 441.881 3.994 0 40 IHAB COC(=O)c1cc(NC(=O)Cc2cc(OC)c(OC)cc2Br)c(F)cc1F 22889893 LRYNWKXIBTUFLQ-UHFFFAOYSA-N 444.228 3.712 0 40 IHAB CCSc1nnc(SCC2=C(C(=O)OC)[C@H](c3ccccc3)NC(=O)N2C)s1 23103591 RUHUABFNZGWZGC-AWEZNQCLSA-N 436.584 3.566 0 40 IHAB Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)Cc3c(F)cccc3Cl)CC2)cc1 24613363 OGBDCOQFIMDXPM-UHFFFAOYSA-N 438.952 3.646 0 40 IHAB CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 24757804 GRYPFWAKEKVTGW-QZTJIDSGSA-N 447.576 3.673 0 40 IHAB C[C@@H](Oc1ccc(NC(=O)c2ccco2)cc1)C(=O)N1CCN(Cc2ccccc2)CC1 25702121 GZFPESYJRXMASG-LJQANCHMSA-N 433.508 3.644 0 40 IHAB COc1cccc([C@@H](CNC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)N2CCCC2)c1 27340452 JMOAXVCMFYAHIU-XUZZJYLKSA-N 435.568 3.618 0 40 IHAB CC(C)c1nnc(SCC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)n1Cc1ccco1 29804565 MQLBSVDTZUCKTN-OAHLLOKOSA-N 442.541 3.784 0 40 IHAB CC(=O)Nc1ccc(OC[C@@H](O)Cn2nc3c4c(cccc42)C(=O)c2ccccc2-3)cc1 30531282 AXKWPAVOPXWXFS-KRWDZBQOSA-N 427.460 3.646 0 40 IHAB COc1ccc(CCN(C)C(=O)c2ccc(-n3cnc4ccccc4c3=O)cc2)cc1OC 30778419 LCXULOYMGSKMOX-UHFFFAOYSA-N 443.503 3.718 0 40 IHAB C[C@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 32794530 AMDLXYXGVOUOPU-OAHLLOKOSA-N 440.487 3.968 0 40 IHAB Cc1noc(C)c1CSc1ccccc1C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 32971699 FRVSEWYKPHUFCK-CYBMUJFWSA-N 445.566 3.722 0 40 IHAB O=C(Cn1nc2c(Oc3ccccc3)nc3ccccc3n2c1=O)Nc1ccc(F)cc1F 35425125 KYZGDFCDHUYYFF-UHFFFAOYSA-N 447.401 3.753 0 40 IHAB COCc1nn2c(ncc3c(=O)n([C@H](C(=O)O)C(C)C)ccc32)c1-c1ccc(Cl)cc1 40397825 VXJXICCWIRSCEJ-IBGZPJMESA-N 440.887 3.793 0 40 IHAB CC(=O)Nc1c(C)cccc1-c1nnc(S[C@H](C)C(=O)Nc2ccccc2C)nc1O 44803220 FIDDNSCDHDDECM-CQSZACIVSA-N 437.525 3.939 0 40 IHAB COc1cc(NC(=O)CN2CCC(c3nc(-c4cccc(F)c4)no3)CC2)cc(OC)c1 49403338 WTWLMAHJLNWRTL-UHFFFAOYSA-N 440.475 3.711 0 40 IHAB Cc1csc2nc(CN3CCCC[C@@H]3[C@@H]3CCCN3C(=O)OC(C)(C)C)cc(=O)n12 58133672 FTFLKOBZRCPQIJ-MSOLQXFVSA-N 432.590 3.818 0 40 IHAB CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)c(F)c1 58159341 CYRFGKKHCYASGZ-MSOLQXFVSA-N 430.517 3.908 0 40 IHAB COc1ccc(NC(=O)[C@@H]2C[C@H]3CCCN3[C@@]23C(=O)Nc2c(C)cc(Cl)cc23)cc1 64137039 NXXMKOFORGUWMC-BVZALQNUSA-N 425.916 3.927 0 40 IHAB CCN1CC[C@@]2(CCC1=O)C[C@H](NC(=O)c1ccc3[nH]c(C)nc3c1)c1ccccc1O2 72327839 XBJRYFWVSJHDDF-OFVILXPXSA-N 432.524 3.896 0 40 IHAB Nc1nnc(SCCC(=O)Nc2nnc(SCc3ccc(F)cc3)s2)s1 72333708 VONZPBCKWLEYMD-UHFFFAOYSA-N 428.565 3.524 0 40 IHAB Cc1cc(C)nc(Nc2cncc([C@H]3CCCN3S(=O)(=O)c3ccccc3Cl)n2)n1 72376324 HXXPQFCBBQKARV-QGZVFWFLSA-N 444.948 3.806 0 40 IHAB CC(C)(C)[C@@H]1CCc2noc(C3CCN(C(=O)CCN4C(=O)CSC4=O)CC3)c2C1 72392418 TUWRYMGZOARSCP-OAHLLOKOSA-N 433.574 3.617 0 40 IHAB Cc1nn([C@@]2(C)CCS(=O)(=O)C2)c(C)c1/C=C1\SC(=O)N=C1Nc1cccc(F)c1 72401268 SKGUSYRUEPPELL-PSXSOWLISA-N 448.545 3.891 0 40 IHAB C[C@@H]1[C@H](C(F)(F)F)OC(=O)N1c1ncccc1NC(=O)c1ccn(-c2ccc(F)cc2)n1 84678307 UGVTWHMTDWFFFF-BDJLRTHQSA-N 449.364 3.935 0 40 IHAB CSc1ccccc1CN1CCC(CNS(=O)(=O)c2ccc3c(c2)CCO3)CC1 96098350 QEHGRTBQDBMPHG-UHFFFAOYSA-N 432.611 3.534 0 40 IHAB COc1cccc(-c2ccc3ccc(-n4nccc4C(=O)N4CC[C@@H](N(C)C)C4)n3c2)c1 96155289 XPMZVBAQCCYBGD-OAQYLSRUSA-N 429.524 3.577 0 40 IHAB C[C@H](NC(=O)CSc1nc2ncccc2c(=O)n1-c1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2 104677797 RSDYBMOSBIIIHW-BOSXTWCSSA-N 434.565 3.814 0 40 IHAB Cc1ccc([C@@H](NS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)c2ccccc2)cc1 222835300 AFPIHEUHWUMBMK-KRWDZBQOSA-N 444.582 3.899 0 40 IHAB COc1ccc(CNC(=O)c2cn3c4c(cc(Br)cc4c2=O)C[C@@H]3C)cc1 223103459 OXLZBGNFEADSAA-LBPRGKRZSA-N 427.298 3.820 0 40 IHAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2Cc2cccnc2)N1Cc1ccccn1 223529340 PPJQPYZLLKSKGO-PKTZIBPZSA-N 426.549 3.894 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCCOc1cccc(C)c1C 223929665 WTKAGLYTRHNTKS-UHFFFAOYSA-N 444.597 3.841 0 40 IHAB Cc1ccccc1OCCNC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1 224236965 PTRVFPKYJNTGGY-UHFFFAOYSA-N 430.551 3.690 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccc(N2CCCCC2)cc1 224958235 VWBRSXSFLXFLTK-UHFFFAOYSA-N 443.569 3.722 0 40 IHAB Cc1ccc(N(CN2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)C(=O)C(F)(F)F)cc1Cl 226400844 BTNBWUOESNLRPD-ATZWAVOESA-N 438.833 3.554 0 40 IHAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCCCC2)N2[C@H](c3ccccc3)Oc3ccccc3[C@@H]12 226811747 CLQLSXXVURXKCC-FUDKSRODSA-N 433.508 3.682 0 40 IHAB CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(CN)NC(=O)OC(C)(C)C)cc1 252516057 PTUHUWYTHYZGFD-ZFGGDYGUSA-N 444.597 3.719 0 40 IHAB CCOc1ccc(CN2CCO[C@@H](c3cccc(Nc4cccc(C)n4)n3)C2)cc1CO 257294802 QVUSUMZCGVLXJY-HSZRJFAPSA-N 434.540 3.993 0 40 IHAB CCc1nc(C)c(C(=O)N2CCO[C@H](c3cc(Nc4nc(C)cs4)cc(C)n3)C2)o1 257294942 QWJBONQBCRVAQP-KRWDZBQOSA-N 427.530 3.971 0 40 IHAB Cc1cc(C(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(=O)N(C)Cc3ccccc3)C2)no1 257328760 XHAGMOYVAFLJIM-URXFXBBRSA-N 447.535 3.941 0 40 IHAB CCOc1ccc(N([C@H](C)C(=O)NCc2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 260769785 RFONDUPOKQKABT-CQSZACIVSA-N 444.475 3.575 0 40 IHAB C[C@@H](c1ccccc1)N1C[C@@H](C(=O)OCC(=O)Nc2ccc(Br)cc2)CC1=O 408656609 NMWNIGCCWVKQEU-HOCLYGCPSA-N 445.313 3.541 0 40 IHAB CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)CCN1C(=O)c2ccccc2C1=O 408714212 LKWUJBKKGPOZRE-UHFFFAOYSA-N 446.507 3.679 0 40 IHAB CCOc1cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)ccc1OCC(=O)O 408780435 YIUQAQSXTRQSRD-LPRAYXGFSA-N 428.510 3.711 0 40 IHAB Cc1cccc(C(=O)N[C@@H](c2nnc(SCC(=O)Nc3ccccc3)n2C)C(C)C)c1 409054554 BRGQPHVXOXZINX-HXUWFJFHSA-N 437.569 3.981 0 40 IHAB Cc1cc2c(cc1NC(=O)c1cc(Br)ccc1Cl)N(C)S(=O)(=O)N2C 575612567 MYZNHYWHAZUJOI-UHFFFAOYSA-N 444.738 3.794 0 40 IHAB Cc1ccc(CC(=O)N2C[C@@H](c3cn(C(C)C)cn3)[C@@]3(CCCN(CC4CC4)C3=O)C2)cc1 585107393 UMJXBFUDDSSCHP-WNCULLNHSA-N 448.611 3.960 0 40 IHAB CC1(C)NC(=O)N(CCCNC(=O)CCc2c(-c3ccccc3)[nH]c3ccccc23)C1=O 1537933512 ZEUJQYRYOMSEDX-UHFFFAOYSA-N 432.524 3.604 0 40 IHAB Cn1cc(CC(=O)N2C[C@@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@@H]3C2)c2ccccc21 1888910711 XCSIBDZGMIJWAC-CALCHBBNSA-N 428.458 3.729 0 40 IHAB COc1cccc(-c2noc([C@H]3CCCN(S(=O)(=O)c4cccc(Cl)c4)C3)n2)c1 1360282 KMPGGFYXJZXDFQ-HNNXBMFYSA-N 433.917 3.967 0 40 IHAB O=C(O)[C@H]1CCCC[C@H]1C(=O)N1CCN(c2nc(-c3ccccc3)c3ccccc3n2)CC1 1471105 OKRPGRKUIHZNFX-UXHICEINSA-N 444.535 3.836 0 40 IHAB CSC[C@H](NC(=O)Cc1c(C)c2cc3c4c(oc3c(C)c2oc1=O)CCCC4)C(=O)O 2158654 KGZYRBQBMNTVDP-KRWDZBQOSA-N 443.521 3.510 0 40 IHAB biogenic CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)O[C@H]2CCCCC2=O)c1 2634692 MTWNMKHYUYDQBY-FQEVSTJZSA-N 435.929 3.829 0 40 IHAB COc1cc(Cl)c(C)cc1NC(=O)CN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O 2635466 XGAXIHIKNPFCGF-QFIPXVFZSA-N 429.904 3.539 0 40 IHAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)O[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2 2651746 DNHSOAZINHLYLJ-ZDUSSCGKSA-N 427.844 3.747 0 40 IHAB CCOC(=O)COc1cccc2c(=O)n(CC(=O)Nc3cccc(C(F)(F)F)c3)ccc12 2712238 XFAALZSTIYETQU-UHFFFAOYSA-N 448.397 3.601 0 40 IHAB Cc1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1F 3341451 QDJDPDSEIQGCHL-QFIPXVFZSA-N 434.467 3.657 0 40 IHAB C[C@@H](NC(=O)c1ccccc1NC(=O)CSc1nnc2ccccn12)c1ccccc1 3430142 WJCHCOIWRUHTPV-MRXNPFEDSA-N 431.521 3.951 0 40 IHAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN(C)Cc2cccc(Cl)c2Cl)c1 3585054 KJGFWZJWDOUVJU-UHFFFAOYSA-N 439.295 3.637 0 40 IHAB CC(=O)Nc1ccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(C(=O)NC3CCCCC3)C2)cc1 4237270 XFBQOVMSZPYEGF-AZUAARDMSA-N 448.567 3.935 0 40 IHAB biogenic,in-vitro Cc1ccc(C)c(OCCSc2nc3ccccc3n2CC(=O)N2CCOCC2)c1 8586933 PBNGVUVUEVZGCG-UHFFFAOYSA-N 425.554 3.683 0 40 IHAB COc1ccc(-c2coc3cc(OCC(=O)N[C@H](CO)c4ccccc4)ccc3c2=O)cc1 8765393 PBMMRATYJWUDEE-HSZRJFAPSA-N 445.471 3.697 0 40 IHAB biogenic Cc1cccc(NC(=O)C[C@H]2C(=O)N[C@H]3CCCC[C@@H]3N2C(=O)c2ccccc2Cl)c1 9059135 ADMBSTHGQDPLIL-ACRUOGEOSA-N 439.943 3.929 0 40 IHAB CCN1C(=O)N/C(=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(Br)c2)C1=O 9323612 BVCIFLRNQUPTFD-MHWRWJLKSA-N 445.269 3.639 0 40 IHAB C[C@@H](CCc1ccccc1)N1C(=O)NC(=O)[C@]2(Cc3c(ccc4ccccc34)N(C)C2)C1=O 9429908 KRCJJHLFCUIPFY-XRHLQHRESA-N 441.531 3.918 0 40 IHAB CCOC(=O)c1ccc(CN2C(=O)S/C(=C\c3ccc(OCC(=O)O)cc3)C2=O)cc1 9489460 RWLOFNDULUYPIB-WQRHYEAKSA-N 441.461 3.563 0 40 IHAB C[C@@H](NC(=O)c1ccccc1NC(=O)Cn1ncc(=O)c2ccccc21)c1ccccc1 9534156 BWEUPQGZEGZXIF-QGZVFWFLSA-N 426.476 3.526 0 40 IHAB CCOc1ccc(Nc2nc(N3CCN(C)CC3)nc3c2cnn3-c2ccccc2)cc1 9573581 FMYFISBCXRYVBM-UHFFFAOYSA-N 429.528 3.710 0 40 IHAB O=C(CCS(=O)(=O)Cc1ccccc1)Nc1ccccc1C(=O)NC1CCCCC1 9668489 NJXWLYQFSJPISU-UHFFFAOYSA-N 428.554 3.693 0 40 IHAB COc1cc(NC(=O)CSc2nccn(-c3ccc(F)c(Cl)c3)c2=O)cc(OC)c1 9761392 ZVXFFCZZUAUARF-UHFFFAOYSA-N 449.891 3.773 0 40 IHAB O=C(N[C@H](c1ccccc1)C1CC1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 9876089 LYHAFDRXMRRPGR-HXUWFJFHSA-N 433.961 3.507 0 40 IHAB COc1ccc(Br)cc1S(=O)(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 10629812 GLNJYPMXYLKFGH-OAHLLOKOSA-N 436.331 3.860 0 40 IHAB CCCSc1ncc(CN2CCc3nc4cc(-c5ccoc5C)nn4c(O)c3C2)cn1 12242142 QARVYLGZYSJUIY-UHFFFAOYSA-N 436.541 3.854 0 40 IHAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](c2ccccc2)c2ccncc2)c1 12608757 KIWRCMZTEOKRGR-HXUWFJFHSA-N 429.929 3.505 0 40 IHAB CCOc1ccc(C(=O)NNC(=O)c2ccc(-n3cnc4ccccc43)cc2)cc1OC 12693447 XCHYVTNJLCGPTE-UHFFFAOYSA-N 430.464 3.508 0 40 IHAB C[C@H](NC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)c1cccc2ccccc12 12731232 WFLOSUDEVSEJPI-FXAWDEMLSA-N 438.549 3.788 0 40 IHAB C[C@H](NC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1)c1ccc(-n2cncn2)cc1 12913547 PANVOYNHFHPEQS-FXAWDEMLSA-N 425.492 3.651 0 40 IHAB O=C(CCC(=O)N1CCC(c2ccccc2)=N1)Nc1ccccc1I 12925012 WMDMBGWKAJOEFT-UHFFFAOYSA-N 447.276 3.647 0 40 IHAB Cc1occc1-c1nnc(SCC(=O)NC(=O)NC2CCCC2)n1Cc1ccccc1 13100671 HXOFHTVTYOLCTI-UHFFFAOYSA-N 439.541 3.755 0 40 IHAB Cn1c(CNC(=O)c2ccc(Cl)nc2)nc2cc(NC(=O)c3cccs3)ccc21 13691049 SNLXOXYTDWBTEJ-UHFFFAOYSA-N 425.901 3.866 0 40 IHAB O=C(c1cccnc1)N1CCc2ccc(NS(=O)(=O)Cc3ccc(Cl)cc3)cc21 13697173 JKTNCCNBAZVJRU-UHFFFAOYSA-N 427.913 3.880 0 40 IHAB Cc1ccc(-c2cc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)c3ccccc3n2)s1 13894643 RPCKUDYENXRJBY-UHFFFAOYSA-N 437.546 3.849 0 40 IHAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N(Cc3ccccc3)Cc3ccccc3)C2=O)cc1 14183844 WAJSDDKHFUUUKD-MHZLTWQESA-N 441.531 3.991 0 40 IHAB COc1cccc(Oc2ccc(C(F)(F)F)cc2NC(=O)[C@H]2CCS(=O)(=O)C2)c1 14671053 BRPPTJGGOILRFJ-LBPRGKRZSA-N 429.416 3.880 0 40 IHAB Cc1ccc(Nc2nc(N)nc(COC(=O)c3cccc(OCc4cscn4)c3)n2)cc1 15513124 ZVJVVDGXXNVKJE-UHFFFAOYSA-N 448.508 3.898 0 40 IHAB Cn1ccnc1[C@H](NC(=O)C[C@H]1Sc2ccccc2NC1=O)c1ccc(Cl)cc1 16262079 UJYYAFFCXXBHLV-IEBWSBKVSA-N 426.929 3.782 0 40 IHAB COc1ccc(S(=O)(=O)N(C)CC(=O)NC(c2ccccc2)c2ccccc2)cc1C 16283029 AAJPUERMQNPIFW-UHFFFAOYSA-N 438.549 3.530 0 40 IHAB Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)NCC(C)(C)N1CCOCC1 16694768 BBHIYDGWWVMEFA-UHFFFAOYSA-N 437.540 3.864 0 40 IHAB CC(C)NC(=O)CCCCn1c(=O)c2ccccc2n(Cc2ccc(F)cc2Cl)c1=O 16840111 XECVOAWEUUEAMH-UHFFFAOYSA-N 445.922 3.699 0 40 IHAB COc1ccc(C(=O)Nc2cccc(-c3csc(C)n3)c2)cc1S(=O)(=O)N(C)C 18824516 QKONHGZVCREONG-UHFFFAOYSA-N 431.539 3.630 0 40 IHAB COc1ccc(CC(=O)N[C@@H](c2cc(O)n3nc(-c4ccccn4)cc3n2)C(C)C)cc1 19445434 YMPWYZDLLKDPEY-XMMPIXPASA-N 431.496 3.562 0 40 IHAB CC(C)NC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)c2cccnc2N)C1 19449446 YIVRTOWVNBNJKK-MHZLTWQESA-N 442.563 3.930 0 40 IHAB COc1ccc(-c2ccc(C[C@]3(C(N)=O)CCCN(C(=O)c4cccnc4)C3)cc2)cc1 19558264 UIGROSPUNKLPRZ-AREMUKBSSA-N 429.520 3.708 0 40 IHAB COc1ccccc1OCC(=O)N1CCCC[C@H]1c1nc(-c2ccsc2)cc(=O)[nH]1 19571417 SFENWFPCFZQQTB-KRWDZBQOSA-N 425.510 3.640 0 40 IHAB Cc1n[nH]c(C)c1CC(=O)N1CC[C@@H](c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C(C)C)N3)C1 19578659 ROWOWYCSEVDVBU-UWWQBHOKSA-N 438.498 3.725 0 40 IHAB COc1ccc(-c2cnc(N(C)C)nc2[C@H]2CCCCN2C(=O)c2snnc2C)cc1 19694288 YBYKUBVJHWQGGT-GOSISDBHSA-N 438.557 3.746 0 40 IHAB Cc1ccnn1CCC(=O)N1CCC(Cc2ccccc2-c2cccc(F)c2)(C(N)=O)CC1 19700048 OEVSEOSMHHWLQJ-UHFFFAOYSA-N 448.542 3.725 0 40 IHAB CC(=O)N[C@H]1C[C@@H](CCNC(=O)Cc2c[nH]c3ccccc23)O[C@@H](c2ccccc2F)C1 19712449 YHBKDMYMOCKZCQ-XLNZFTOWSA-N 437.515 3.781 0 40 IHAB Cc1nc([C@H]2CCCN(C3CCOCC3)C2)nc2c1CCC(=O)N2Cc1ccccc1F 19741415 OJVJXVMGPJEGMN-IBGZPJMESA-N 438.547 3.762 0 40 IHAB CCn1cc(CN2CCC[C@@H]2c2nc(C)c3c(n2)N(CCc2ccccc2)C(=O)CC3)cn1 19741749 LMYPIVXQJKKWSS-HSZRJFAPSA-N 444.583 3.860 0 40 IHAB Cc1ncc(C(=O)NCc2ccccc2)c([C@@H]2CCCN2C(=O)c2cc(C(C)C)n[nH]2)n1 19766680 GWULBFRHWIHTDO-NRFANRHFSA-N 432.528 3.539 0 40 IHAB CCOC(=O)[C@@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@H]1c1cccc(Cl)c1 19818394 KGJQSAWEWGQEJS-PMACEKPBSA-N 441.915 3.842 0 40 IHAB O=C(NCc1ccccc1Cl)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 19868239 WYHBMFKABJNWDR-UHFFFAOYSA-N 441.380 3.852 0 40 IHAB Cc1nccn1-c1ccccc1CNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 20450283 ZHPDEMHDEHZULC-UHFFFAOYSA-N 446.532 3.912 0 40 IHAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2C(F)(F)F)c1 22229878 ZJXDHCRAIYWUDG-KRWDZBQOSA-N 442.459 3.814 0 40 IHAB Cc1ccc(-c2nnc(S)n2CC(=O)Nc2nc(CN3CCCCC3)cs2)cc1 22290210 RFJOVUBFRHCZRG-UHFFFAOYSA-N 428.587 3.623 0 40 IHAB Cc1cc(C)c(NC(=O)C(=O)NC[C@H](c2cccnc2)N2CCc3ccccc3C2)c(C)c1 22906799 QSKWPXWCHFGQAI-XMMPIXPASA-N 442.563 3.861 0 40 IHAB O=C(Nc1ccc(C(=O)N2CCN(CCOc3ccccc3)CC2)cc1)c1cccs1 23873274 KJAKVQVGHVKHFD-UHFFFAOYSA-N 435.549 3.837 0 40 IHAB CCOC(=O)c1oc2ccc(Br)cc2c1Cn1nnc2ccccc2c1=O 24505190 VMVXTNGFWXVTFT-UHFFFAOYSA-N 428.242 3.525 0 40 IHAB CCOC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)/C=C/c2csc(C)n2)CC1 25065885 JZPVGYXGLRMRED-IBDYFIJFSA-N 433.961 3.567 0 40 IHAB COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1sc(-c2ccccc2)nc1C 25188358 CFRMLMAPFZTBAJ-UHFFFAOYSA-N 437.521 3.994 0 40 IHAB O=C(CSc1nnc(Cc2cccs2)n1C1CC1)N[C@@H]1CCOc2ccccc21 27977710 JHTWMBZDZVBRNL-QGZVFWFLSA-N 426.567 3.997 0 40 IHAB CC(C)(C)OC(=O)Nc1cccc(C(=O)NC[C@H](c2cccs2)N2CCOCC2)c1 29844283 KGMBYHJFGURTMO-GOSISDBHSA-N 431.558 3.898 0 40 IHAB O=C(CN1CCC[C@H]1C(=O)NCc1ccco1)Nc1ccc(Cl)cc1C(F)(F)F 31557532 NNENVFRIPHWATQ-INIZCTEOSA-N 429.826 3.671 0 40 IHAB COc1cc(OC)cc(C(=O)N[C@@H](C(=O)OCc2cc(Cl)c3c(c2)OCO3)C(C)C)c1 32739498 VBFHJZFVYGIBAP-LJQANCHMSA-N 449.887 3.584 0 40 IHAB Cc1ccccc1NC(=O)CSc1nnc([C@@H](C)NC(=O)c2ccccc2Cl)n1C 33782576 HUMOTZHEQFNFKU-CQSZACIVSA-N 443.960 3.999 0 40 IHAB C[C@H]1CCCN(C(=O)CSc2nc3ccccc3n2CC(=O)NC2CCCCC2)C1 35312079 BDPREGIWASNXKN-KRWDZBQOSA-N 428.602 3.836 0 40 IHAB COc1ccc(CN(C(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)[C@@H]2CCS(=O)(=O)C2)cc1 35889439 QEPWMNSOPZJPKQ-UWWQBHOKSA-N 446.396 3.802 0 40 IHAB O=C(NC1=NCCS1)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 39975843 VPAZPDDZTWNXJD-UHFFFAOYSA-N 430.338 3.627 0 40 IHAB COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)[C@@H](C)N1CCN(c2ccccc2)CC1 57058936 XQFGCMNRLFXEOH-OAHLLOKOSA-N 440.931 3.757 0 40 IHAB O=C(CN1CCN(c2ccccc2O)CC1)N1c2ccccc2OC[C@@H]1c1ccccc1 57585207 WCYLMWNMDQRWCT-HSZRJFAPSA-N 429.520 3.681 0 40 IHAB O=C(NCc1ccc2c(c1)OCO2)c1cnc2scc(-c3ccccc3Cl)n2c1=O 64788022 DHCPOBIMWDHCTC-UHFFFAOYSA-N 439.880 3.735 0 40 IHAB CCn1nc(C)c2nc(SCC(=O)Nc3ccccc3)n(Cc3cccs3)c(=O)c21 64817548 MLBMQBWOVHBNSI-UHFFFAOYSA-N 439.566 3.762 0 40 IHAB CCOc1cc(C(=O)OC)cc(NC(=S)Nc2ccc3c(c2)OCCO3)c1OCC 71761528 VWZDTMIKYQDEMX-UHFFFAOYSA-N 432.498 3.851 0 40 IHAB C[C@@H]1CCCCN1Cc1ccc(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)cc1 71813640 SGERWDRFCNOMBM-SYNNKVJXSA-N 430.618 3.725 0 40 IHAB O=S(=O)(Cc1ccccc1)N1CCC2(CC1)C[C@H]2c1nnc(-c2cccc(F)c2)o1 71890647 OVDYCVABMRVCIH-IBGZPJMESA-N 427.501 3.975 0 40 IHAB Nc1ncc(Br)nc1C(=O)Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1 72301524 MMCSLPSSLQNUPQ-UHFFFAOYSA-N 427.237 3.756 0 40 IHAB COc1ccc(OC)c(CN2CCN(c3c(F)cccc3[C@H](O)c3ccccn3)CC2)c1 72340713 ILPRYHDUPYQTKA-VWLOTQADSA-N 437.515 3.642 0 40 IHAB CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)c3cc(C)c(C)[nH]c3=O)cc2n1 72389780 XJJGJZGRPBUCPD-INIZCTEOSA-N 433.434 3.593 0 40 IHAB O=C([C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCC(c2nnc(C(F)(F)F)o2)CC1 77197717 OOWJANUKQAIDDZ-LBPRGKRZSA-N 442.825 3.501 0 40 IHAB COc1ccc2[nH]cc(CCNC(=O)CCc3nc4ncc(Br)cc4[nH]3)c2c1 79493497 WMBBAFXTHHGZHY-UHFFFAOYSA-N 442.317 3.502 0 40 IHAB O=C(Nc1cccc(F)c1)[C@H]1CN(C(=O)NCc2cccc(F)c2)CC12CCOCC2 96241072 JXDMNPVSWCYANN-HXUWFJFHSA-N 429.467 3.542 0 40 IHAB CC(=O)N(c1nc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cs1)c1c(C)cccc1C 96663463 MAVYCDPVQNTRFG-VGOFMYFVSA-N 447.563 3.730 0 40 IHAB C[C@@H]1CC[C@@H]2N(C[C@@H]3[C@H](CC[C@H]4[C@@H]5CC(=O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@@H]5C[C@H]43)[C@]2(C)O)C1 100230628 IQDIERHFZVCNRZ-FLYZOPFCSA-N 429.645 3.886 0 40 IHAB O=C(O)C12C[C@H]3C[C@H](C1)CC(n1ncc(NCCc4ccccc4)c(Cl)c1=O)(C3)C2 100292740 SQNYUQZVNJIZKC-TWVWUCKLSA-N 427.932 3.931 0 40 IHAB CCOc1ncc(C2(O)[C@@H]3CCC[C@@H]2CN(Cc2ccc(OC)cc2F)C3)c(OCC)n1 100728540 UTEVMNBIMKWEMA-QZTJIDSGSA-N 445.535 3.541 0 40 IHAB CC(C)c1ccccc1OC[C@@H](O)Cn1c(=O)c(-c2ccccc2)[n+]([O-])c2ccccc21 101980752 JTRVEBPSCDDFAJ-FQEVSTJZSA-N 430.504 3.865 0 40 IHAB Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(C(=O)O)cc4)[C@H]3C2=O)cc1 102760489 OQASDXQACGOCDP-BHIFYINESA-N 428.444 3.744 0 40 IHAB Cn1c(=O)c(C(c2ccccc2)c2c(O)c3ccccc3n(C)c2=O)c(O)c2ccccc21 102971739 NQWMMPBLNCXRNP-UHFFFAOYSA-N 438.483 3.982 0 40 IHAB COc1ccccc1N(CC(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2)S(=O)(=O)c1cccs1 104749592 UUURIPZPYCUJEO-XSLAGTTESA-N 448.610 3.893 0 40 IHAB COc1ccc(CNC(=O)CCCN2C(=O)c3cccc4cccc2c34)c(OC)c1OC 219465669 ZUMBFQFHNFNEJI-UHFFFAOYSA-N 434.492 3.922 0 40 IHAB CCOc1ccccc1CNC(=O)[C@@H](C)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 220257769 NIZZGPAMQMZNCP-CYBMUJFWSA-N 445.368 3.863 0 40 IHAB CCOc1ccc(CCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC)cc1OCC 222389346 YFQOTDRBDAQUMP-IBGZPJMESA-N 426.557 3.888 0 40 IHAB Cc1ccc(CSCCNC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)cc1 222566058 QIWUGYIPFSTCED-UHFFFAOYSA-N 432.611 3.897 0 40 IHAB Cc1cccc(CSCCNC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)c1 222653938 WTDKXKSUIPFUCY-UHFFFAOYSA-N 438.590 3.730 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1nnc(SC(C)C)s1 224441722 RSLKGSRPTYWEHH-UHFFFAOYSA-N 440.616 3.774 0 40 IHAB Cc1ccc(N(CCCC(=O)NCCOc2ccc(F)cc2)S(C)(=O)=O)cc1Cl 224778659 IFUKRXCJCHQQMH-UHFFFAOYSA-N 442.940 3.529 0 40 IHAB Cc1ccc(N(CC(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)S(C)(=O)=O)cc1 225399299 MCEAPPQVYYDLAE-UHFFFAOYSA-N 436.946 3.572 0 40 IHAB CCCC[C@](C)(O)[C@H]1C[C@@]23C=C[C@@]1(OC)[C@@]1(C)Oc4c(O)ccc5c4[C@@]12CCN(C)[C@H]3C5 253504949 NODDVOPQRZIFJX-LRBFEEEJSA-N 439.596 3.944 0 40 IHAB biogenic,in-vitro CCOC(=O)[C@H]1C[C@H]2C(Cl)=C[C@@]13[C@H]1Cc4ccc(OC)c5c4[C@@]3(CCN1C)[C@@]2(C)O5 253505137 QFJCSTJNJZNCPB-VLXRVRKGSA-N 429.944 3.666 0 40 IHAB biogenic,in-vitro CN1CCN(C(=O)c2cc3c(nc2O)CCC3)[C@@H](Cc2ccc(-c3cccs3)cc2)C1=O 257237126 HFHITRGNCTUXPV-NRFANRHFSA-N 447.560 3.530 0 40 IHAB COc1ccc(-c2cncc([C@H]3CN(Cc4c(C)nc5cc(C)ccn45)CCO3)n2)cc1 257287955 PSEUPHMKJNSFIN-XMMPIXPASA-N 429.524 3.990 0 40 IHAB CC(=O)N[C@@]1(C)C[C@H](c2ccc(OCC(=O)N3CCCC3)cc2)O[C@@H]2C[C@H](C)CC[C@H]21 257336504 YOTGIEJMSMZQIT-RHGXVNNXSA-N 428.573 3.849 0 40 IHAB Cc1nc(CN2CC[C@@]3(CN(Cc4ccco4)C[C@H]3c3cn(C(C)C)cn3)C2=O)cs1 306145173 ZZYUBXUSCVRKCT-REWPJTCUSA-N 439.585 3.840 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)N[C@@H](C)CCc2ccccc2)C1 408583250 GPWDZAQCCIYMMU-FPOVZHCZSA-N 444.597 3.542 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)cc1 408583273 GTUDEKUUIKBNRA-CQSZACIVSA-N 438.933 3.602 0 40 IHAB COc1ccc(Cl)cc1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 408611995 XTJBTUDHBRDEQT-FQEVSTJZSA-N 444.940 3.877 0 40 IHAB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccccc1 408658967 VIIXASJPTRSXST-ZCLUNYJNSA-N 436.895 3.611 0 40 IHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C 408701709 DGMOSTDTVMATBJ-KRWDZBQOSA-N 443.569 3.560 0 40 IHAB Cc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccccc3Cl)[C@@H]2c2ccc(C)cc2)cc1 409052190 GTBQYFHJIUFXCJ-LMOLPZMTSA-O 432.931 3.973 0 40 IHAB Cc1ccc(Cl)cc1NC(=O)Cn1nc(CNC(=O)c2ccccc2C)n(C)c1=S 409156740 STTSWLGAZYHRCP-UHFFFAOYSA-N 443.960 3.790 0 40 IHAB CCN1C(=O)N/C(=C/c2ccc(OCc3ccc(Br)cc3)c(OC)c2)C1=O 409235597 PFKSQXFLZULUPA-MHWRWJLKSA-N 431.286 3.949 0 40 IHAB CC1(C)CN([C@@H](CNC(=O)Cn2cnc3ccccc32)c2ccc(Cl)cc2)CCO1 505413534 HPHPPVSXBGBYQC-NRFANRHFSA-N 426.948 3.658 0 40 IHAB O=C(NCCNc1nccc(C(F)(F)F)n1)Nc1ccc2nc(-c3ccccn3)oc2c1 540823721 FLRLVOOYSMADFC-UHFFFAOYSA-N 443.389 3.932 0 40 IHAB CC(C)n1nccc1[C@H]1CN(C(=O)C2(F)CC2)C[C@@]12CCCN(Cc1ccccc1)C2=O 585106473 ROWYCBDZUVHONM-YKSBVNFPSA-N 438.547 3.701 0 40 IHAB Cc1ccc(CC(=O)N2CC[C@@]3(CCc4nnc(C(=O)Nc5ccccc5)n4CC3)C2)cc1 585106755 HNQMBDVQDNMNBB-AREMUKBSSA-N 443.551 3.637 0 40 IHAB CC(=O)N[C@@]12CN(C(=O)C3(c4ccccc4)CCCC3)CC[C@@H]1[C@@H](c1ccccc1)N(C)C2 585261726 CCVXTOHBSIJZGQ-SKVJQKLOSA-N 445.607 3.909 0 40 IHAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3)c(=O)n2[C@H]1c1cccs1 631605 MJUWUIAGAQUSGK-QMJOVRGKSA-N 444.965 3.513 0 40 IHAB COc1ccc(CN(Cc2nc3ccccc3c(=O)[nH]2)C(=O)c2ccc(OC)cc2)cc1 1359089 PFGDXAWXDSHYHU-UHFFFAOYSA-N 429.476 3.783 0 40 IHAB C[C@@H](N)C(=O)NCCCCCC(=O)Oc1ccc2c(=O)c(-c3ccc(F)cc3)coc2c1 2124510 JHEVKFHQUOLENJ-OAHLLOKOSA-N 440.471 3.528 0 40 IHAB biogenic Cc1ccc(-c2cc(NC(=O)CSc3nnc(C4CC4)n3N)n(-c3ccccc3)n2)cc1 2640139 KRNBYBHXNGTCQS-UHFFFAOYSA-N 445.552 3.761 0 40 IHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCC2(N(C)C)CCCCC2)cc1 2645895 QJMASTQMRRLSPK-UHFFFAOYSA-N 443.613 3.896 0 40 IHAB O=C(CSc1nnc2sc3ccccc3n12)Nc1ccc(N2CCOCC2)cc1 2657261 HNYPYFCVLPJVDH-UHFFFAOYSA-N 425.539 3.511 0 40 IHAB COc1ccc(-c2nnc(SCC(=O)NCc3ccc(C(=O)O)cc3)n2C(C)C)cc1 3342512 BARVYWZBKSFKJO-UHFFFAOYSA-N 440.525 3.641 0 40 IHAB Cc1cc(C)c2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=S)NCc3ccco3)cc2c1 8686570 GXLMGPHTQCRKRT-FQEVSTJZSA-N 425.554 3.794 0 40 IHAB COc1ccc2c(CC(=O)N3C[C@H](C(=O)N4CCCCC4)Oc4ccccc43)coc2c1 8718749 BZQIIKHSRGEYDP-HSZRJFAPSA-N 434.492 3.791 0 40 IHAB C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)c2cccc(Br)c2)C1=O 8939966 OATQYBFIEMQWAP-OAQYLSRUSA-N 427.298 3.588 0 40 IHAB Cn1c(=O)c2c(-c3ccc(Cl)cc3)n3c(c2n(C)c1=O)[C@@H](c1ccc(F)cc1)OCC3 8995427 XAKGNFOZKBKXTP-OAQYLSRUSA-N 439.874 3.618 0 40 IHAB NC(=O)[C@H]1CCCN(CC(=O)N2N=C(c3ccc4ccccc4c3)C[C@@H]2c2ccccc2)C1 9125547 CYEBBBMBHFTKCX-UKILVPOCSA-N 440.547 3.715 0 40 IHAB COc1cc([C@@H]2CC(=O)Nc3nc(C)[nH]c(=O)c32)ccc1OCc1ccccc1Cl 9130047 RDCSGMGRKSGSSN-HNNXBMFYSA-N 425.872 3.793 0 40 IHAB Cc1nnc(NC(=O)CSc2nnc(COc3ccc4ccccc4c3C)n2C)s1 9263893 OXHPKQVAOKLMBS-UHFFFAOYSA-N 440.554 3.746 0 40 IHAB Cc1cc(NC(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)n(-c2ccccc2)n1 9439011 MOOMZDULBDLUBI-UHFFFAOYSA-N 435.465 3.690 0 40 IHAB Cc1cc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@H]2CCS(=O)(=O)C2)ccc1Cl 9460736 VYGUWDZGGHXFMZ-KRWDZBQOSA-N 442.364 3.897 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)Cc2c(F)cccc2Cl)c1 9492660 PEQVVDVFMVDFDC-UHFFFAOYSA-N 441.956 3.757 0 40 IHAB CCOC(=O)c1nn(-c2cccc(F)c2)c(=O)c2c(NC(=O)c3ccco3)scc12 9518552 DGRGLASTURRKGE-UHFFFAOYSA-N 427.413 3.608 0 40 IHAB COc1ccc(S(=O)(=O)[C@@H](CNC(=O)COc2ccccc2F)c2cccs2)cc1 9569331 OCMUDDKUUNQYNG-FQEVSTJZSA-N 449.525 3.606 0 40 IHAB CC(C)N(C(=O)CN1C(=O)C(=O)N(C2CCCC2)C1=O)c1ccc(Nc2ccccc2)cc1 9596436 FGJAIMTWDVYKMQ-UHFFFAOYSA-N 448.523 3.905 0 40 IHAB COc1cccc(-n2cnnc2SCC(=O)c2ccc(CNC(=O)C(C)(C)C)s2)c1 9632955 ZRNKHUCMNDJAQH-UHFFFAOYSA-N 444.582 3.975 0 40 IHAB O=S(=O)(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccc2c(c1)OCCCO2 9672357 HTQBVMAXMGQFMO-UHFFFAOYSA-N 440.525 3.634 0 40 IHAB O=C(CCc1nnc2n(Cc3ccccc3)c(=O)c3ccccc3n12)Nc1ccc(F)cc1 9831230 GRVCTDYMRFFNTQ-UHFFFAOYSA-N 441.466 3.803 0 40 IHAB CCc1cccc(CC)c1NC(=O)COC(=O)CCS(=O)(=O)c1ccc(Cl)cc1 10317671 LXFOGZGOYNCDTO-UHFFFAOYSA-N 437.945 3.811 0 40 IHAB Cc1cc(-c2cc(=O)n([C@H](C)C(=O)Nc3cc(C)on3)nc2-c2ccc(C)s2)on1 12156582 OLZGFISNOFQPJP-CYBMUJFWSA-N 425.470 3.740 0 40 IHAB CCc1nc2sc([C@H](c3ccc(Cl)cc3Cl)N3CCC(O)CC3)c(O)n2n1 12341976 IVWNHOCAJKSDJG-HNNXBMFYSA-N 427.357 3.912 0 40 IHAB Cc1onc(-c2ccccc2Cl)c1C(=O)OCC(=O)N1CCN(c2ccccc2)CC1 12526829 UJMOMZHIHYMZCO-UHFFFAOYSA-N 439.899 3.809 0 40 IHAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3ccc(F)c(F)c3)c12 12777876 SJVNLAQGTVOZHO-CQSZACIVSA-N 446.479 3.507 0 40 IHAB CC(C)C(=O)N1CCN(C(=O)c2cc(-c3cccs3)n(-c3ccc(F)cc3F)n2)CC1 12856792 UJYOZNMMOQJOAL-UHFFFAOYSA-N 444.507 3.819 0 40 IHAB CC(C)n1nccc1NC(=O)[C@H](C)Sc1ncnc2c1cnn2-c1ccc(F)cc1 13295761 YCYKFLKFOALMFD-ZDUSSCGKSA-N 425.493 3.851 0 40 IHAB CCn1c(S[C@@H](C)C(=O)Nc2nc(C)cs2)nnc1[C@@H](C)NC(=O)c1ccccc1 13568113 UCKHKQFIDZRMPF-KGLIPLIRSA-N 444.586 3.673 0 40 IHAB CCN(c1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1)S(=O)(=O)c1ccccc1 13584966 TWOMGMVZJNMRIK-UHFFFAOYSA-N 440.521 3.928 0 40 IHAB COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(Br)cc2)c(OC)c1 13618022 DTNPNBIWYQTCDQ-SFHVURJKSA-N 446.301 3.733 0 40 IHAB COc1ccc(/C=c2/sc3nc4ccccc4n3c2=O)cc1OC(=O)c1ccccc1 13640771 IYZMRQHMXFDXQB-KGENOOAVSA-N 428.469 3.685 0 40 IHAB CS(=O)(=O)Nc1nc2ccc(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)cc2s1 13719412 FRYKRVIQILEQEQ-UHFFFAOYSA-N 448.957 3.775 0 40 IHAB O=C1c2cccc(N3CCN(Cc4ccccc4)CC3)c2C(=O)N1Cc1ccccc1F 14992152 SITHWDJCGLJYGV-UHFFFAOYSA-N 429.495 3.944 0 40 IHAB O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1)NCc1ccccc1Cl 16490368 IEDARHFUWJDTAQ-UHFFFAOYSA-N 430.913 3.836 0 40 IHAB CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)C3=Cc4cc(Cl)ccc4OC3)ccc21 17735979 UTHVUDQSZLHRQW-CYBMUJFWSA-N 425.868 3.839 0 40 IHAB O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)N1CCN(Cc2cccs2)CC1 18147727 FTSAIMHPUOJVSS-UHFFFAOYSA-N 447.560 3.622 0 40 IHAB COc1ccc(-c2cc(NS(=O)(=O)c3ccc4c(c3)OCCO4)ccc2OC)cc1 18708024 ZUFGKOHPCCRYNO-UHFFFAOYSA-N 427.478 3.943 0 40 IHAB COc1ccc(OC)c(CC(=O)N2CCCC[C@@H]2c2nc(-c3ccsc3)cc(=O)[nH]2)c1 19551360 LSNZZRKAYUHRIM-LJQANCHMSA-N 439.537 3.812 0 40 IHAB CNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCN(C(=O)c2cccc(OC)c2)C1 19591581 NDMRNZHPTAHHLQ-SANMLTNESA-N 429.520 3.578 0 40 IHAB O=C(c1sc2ccccc2c1[C@H]1CN(CCc2ccccc2)CCO1)N1CCOCC1 19697572 HUMIIWRFRBATIB-OAQYLSRUSA-N 436.577 3.990 0 40 IHAB COc1ccc(C[C@@H]2C[C@@H]3NC(=O)CCCC[C@H]3N2Cc2c(OC)cccc2OC)cc1 19712115 KERDSZUIDFUNMO-WTIAFYNJSA-N 438.568 3.957 0 40 IHAB CCc1nn(C)c(C(=O)N2CCC(c3ncc(C(=O)Nc4ccccc4)c(C)n3)CC2)c1C 19764241 SQWGFPLBEMRPHE-UHFFFAOYSA-N 446.555 3.661 0 40 IHAB COc1ccc(CCC(=O)Nc2ccc3c(c2)CCN3C(=O)c2cccnc2)cc1OC 19819302 MTZKUYLOMNXCOY-UHFFFAOYSA-N 431.492 3.873 0 40 IHAB Cc1ccc(-c2cc(C(=O)N(Cc3cccs3)[C@H]3CCS(=O)(=O)C3)no2)cc1F 20898233 ODXMBKFVDPIWAU-HNNXBMFYSA-N 434.514 3.680 0 40 IHAB CCOc1cc(CNC2C3CC4CC(C3)CC2C4)cc(Br)c1OCC(N)=O 22073854 RZLRNJFVJCPAOR-UHFFFAOYSA-N 437.378 3.626 0 40 IHAB C[C@H](NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1)c1ccc(F)cc1 22539563 AYBYXWGTJDZEMM-HTAPYJJXSA-N 426.513 3.593 0 40 IHAB Cc1noc(-c2ccc(C(=O)NCCNc3ncc(C(F)(F)F)cc3Cl)cc2)n1 25339734 GJSXSHFFRNUYJF-UHFFFAOYSA-N 425.798 3.954 0 40 IHAB C[C@@H]1CCCN(Cc2csc(NC(=O)CCn3c(=S)[nH]c4ccccc4c3=O)n2)C1 28677832 JYUJOEJSNDPAAV-CQSZACIVSA-N 443.598 3.776 0 40 IHAB COc1ccc([C@@H](C)NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 30865995 LECPAZFXZRRUJC-GFCCVEGCSA-N 431.341 3.645 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N(Cc2ccco2)c2ccccc2)cc1 32876227 ZZTFPRHJTAOHJA-UHFFFAOYSA-N 448.566 3.706 0 40 IHAB O=C(Nc1nnc(SCC(=O)N2CCc3ccccc32)s1)c1c(F)cccc1F 35312935 ZIUVFUFKFMSFCE-UHFFFAOYSA-N 432.477 3.750 0 40 IHAB O=C(CNC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1)Nc1cc(Cl)ccc1Cl 35315940 HNIGDLCYAMQXRW-UHFFFAOYSA-N 435.094 3.994 0 40 IHAB CC(C)Cn1c(=O)c2sccc2n2c(CCC(=O)Nc3ccc(F)c(F)c3)nnc12 35528603 YRGXJHYXVJTASF-UHFFFAOYSA-N 431.468 3.611 0 40 IHAB COc1cc(Cl)c(NC(=O)c2cc(-n3cnnc3)ccc2Br)c(OC)c1 35684162 OFQKIEYRJSXVLS-UHFFFAOYSA-N 437.681 3.953 0 40 IHAB CCOC(=O)c1c(NC(=O)CN2CCN(c3cccc(Cl)c3)CC2)sc(C)c1C 36289231 OICRUCBKACNLCT-UHFFFAOYSA-N 435.977 3.956 0 40 IHAB Cc1ccc(OCC(=O)Nc2ccccc2OCc2cc(=O)n3cc(C)sc3n2)cc1 41085750 SIDRHNBSDYLUJN-UHFFFAOYSA-N 435.505 3.969 0 40 IHAB CC[C@](C)(CNC(=O)Nc1cc(Cl)ccc1C(=O)N1CCCCC1)N1CCOCC1 58438750 WVDWJRVWGRREQB-JOCHJYFZSA-N 436.984 3.589 0 40 IHAB COc1cccc(OC)c1OC[C@H](O)CNC(=O)CCCOc1ccc(C(C)(C)C)cc1 62581467 OSQPAEBJFQWDPV-LJQANCHMSA-N 445.556 3.716 0 40 IHAB COc1ccc(NC(=O)Cn2c(=O)cc(-c3nc(C(C)C)no3)c3ccccc32)c(OC)c1 67317724 GYQLWKIQKJHQKQ-UHFFFAOYSA-N 448.479 3.831 0 40 IHAB CCn1c(CCCc2ccc(OC)c(C)c2)nnc1SCC(=O)Nc1nccs1 72191664 PKKYFUYIZBYXLQ-UHFFFAOYSA-N 431.587 3.978 0 40 IHAB Cc1noc(C)c1CCC(=O)N1CC=C(n2c(C)nc(=O)c3cc(Cl)ccc32)CC1 72348294 VYSSSHSXYDYAQS-UHFFFAOYSA-N 426.904 3.669 0 40 IHAB CCOC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc2cccc3c2n(c1=O)CCC3 79193010 SNIIEFSKLMHYCI-WMZHIEFXSA-N 443.455 3.510 0 40 IHAB biogenic Cc1cc(C)cc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)c1 89585418 KCIVZERFLQIVRE-UHFFFAOYSA-N 443.352 3.883 0 40 IHAB O=C(C[C@@H]1OC(=O)c2ccccc21)NC1(c2cccc(Br)c2)CCOCC1 89857843 CXKGPAMUVIMRFD-SFHVURJKSA-N 430.298 3.873 0 40 IHAB CC(C)(C)c1cc(=O)n2c(n1)SC[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)C2 90609691 PYMDGOVZGKGWKM-LLVKDONJSA-N 427.448 3.800 0 40 IHAB O=C(NCC(O)(c1cccs1)c1cccs1)C(=O)Nc1cccc(C(F)(F)F)c1 90617681 WALKNRGOHLCOOW-UHFFFAOYSA-N 440.468 3.819 0 40 IHAB CC(C)(C(=O)NCC(C)(C)N1CCOCC1)[C@H](O)c1cccc(OCc2ccccc2)c1 95435195 CRCOSWGOEICPPH-HSZRJFAPSA-N 440.584 3.552 0 40 IHAB Cc1nc(-c2nc(C(=O)NCCc3ccncc3)c3ccccn23)cn1Cc1ccccc1 96155182 KKEKRWCHTPXIIB-UHFFFAOYSA-N 436.519 3.922 0 40 IHAB COc1ccc(-c2cc(-c3cccnc3)n(CCNC(=O)[C@H]3CC[C@H](OC)CC3)n2)cc1 100156561 PQZDRJISSWGWSI-IQGASKDCSA-N 434.540 3.942 0 40 IHAB O=C(C1CC1)N1CCc2nc3cc([C@H]4CCCCN4Cc4ccsc4)nn3c(O)c2C1 100233930 HHVCZIMFWFUWHV-HXUWFJFHSA-N 437.569 3.518 0 40 IHAB Cc1cccc(CN2CCCC[C@H]2c2cc3nc4c(c(O)n3n2)CN(C(=O)C2CC2)CC4)c1 100243233 GYIWTLXDWWVVKG-QHCPKHFHSA-N 445.567 3.765 0 40 IHAB O=C(NCc1ccccc1)C1CCN([C@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)CC1 101490776 BOUNLRKGYAUTOC-DEOSSOPVSA-N 441.531 3.500 0 40 IHAB COC(=O)[C@]12[C@@H]3[C@H]4[C@@H]5[C@@H]1[C@@H]1CC[C@@H]6[C@@H]1[C@@H]5[C@@](COc1ccccc1)([C@@H]4[C@H]1CCC[C@H]13)[C@@]62O 104294554 SADGSCBNNOBNKL-SQNJXZFWSA-N 432.560 3.780 0 40 IHAB CC[C@@H](C(=O)Nc1ccc(C(=O)OC)cc1)N(c1cc(Cl)ccc1C)S(C)(=O)=O 220710818 QFHJGWRDQQRHKC-KRWDZBQOSA-N 438.933 3.618 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)CCCN(c1ccc(CC)cc1)S(C)(=O)=O 222639593 CSQCTRDIIZZSAN-UHFFFAOYSA-N 432.542 3.611 0 40 IHAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc2c(c1)OCCO2 222899737 UEUNOALUBMLJPG-QGZVFWFLSA-N 442.531 3.862 0 40 IHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)COc1ccc(Br)cc1 222970463 WFWUAKIZVZRHAC-CQSZACIVSA-N 437.309 3.520 0 40 IHAB COc1cc(C)c([C@@H](C)NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1C(C)C 223287147 HZFBENYEAJKLPC-MRXNPFEDSA-N 436.549 3.910 0 40 IHAB CN(c1ccccc1)S(=O)(=O)C1(C(=O)Nc2ccc(OC3CSC3)cc2)CCCC1 225948722 USWOXXRYPOWVPB-UHFFFAOYSA-N 446.594 3.898 0 40 IHAB CC(=O)Nc1ccc(NC(=O)CN2C[C@H]3CCC[C@H](Cc4cnccn4)[C@H]3C2)c(Cl)c1 257259775 KZXIKXSJNNHTGO-MBOZVWFJSA-N 441.963 3.618 0 40 IHAB COCc1ccc(OC)c(CN2CCO[C@H](c3ccc(Nc4nc(C)cc(C)n4)cn3)C2)c1 257293802 QRFLVRWAKDJFAK-DEOSSOPVSA-N 449.555 3.961 0 40 IHAB CN1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)c1cccc(-n2cnnc2)c1 257303983 SJOUMZLWUOWMIE-AMVJKZIMSA-N 441.579 3.966 0 40 IHAB Cc1nn(C)cc1S(=O)(=O)N1CCC[C@@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 257325353 WSOXUMOILSSBTE-MRXNPFEDSA-N 434.949 3.529 0 40 IHAB CC(C)n1cnc([C@H]2CN(C(=O)c3cccs3)C[C@]23CCCN(CC2CC2)C3=O)c1 585107452 WDNNSCQNRPCLLH-WZONZLPQSA-N 426.586 3.784 0 40 IHAB O=C(CSc1nnc(Cn2cnc3ccccc32)o1)Nc1ccc(Br)cc1 873756 CQPKSLJPBGTLIM-UHFFFAOYSA-N 444.314 3.961 0 40 IHAB COc1cccc(COC(=O)c2ccc(-c3nnn(Cc4cccc(OC)c4)n3)cc2)c1 1425917 PQWNXNLTWBTKHS-UHFFFAOYSA-N 430.464 3.763 0 40 IHAB Cn1c(SCc2nc(N)nc(N3CCCc4ccccc43)n2)nnc1-c1ccccc1 1428326 KOYUSJCLUXSJGI-UHFFFAOYSA-N 430.541 3.626 0 40 IHAB O=C(NC(=S)Nc1cccc(NC(=S)NC(=O)c2ccccc2)c1)c1ccccc1 1687244 OQJWOAKDDASRJT-UHFFFAOYSA-N 434.546 3.940 0 40 IHAB CCOC(CSc1nnc2n1-c1sc3c(c1-c1ncnn1-2)C[C@@H](C)CC3)OCC 2426889 ANOXGFAUBRLYQZ-NSHDSACASA-N 432.575 3.506 0 40 IHAB CCN(CC)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 3177579 MWCFIZXULKTGBP-UHFFFAOYSA-N 429.586 3.881 0 40 IHAB O=C(COC(=O)c1ccccc1I)Nc1ccc(Cl)cc1F 3231784 AILWHZYYAFBINA-UHFFFAOYSA-N 433.604 3.879 0 40 IHAB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 3291802 WFEKFXXXFPOBDT-UHFFFAOYSA-N 430.309 3.648 0 40 IHAB Cc1nc(NC(=O)COC(=O)C[C@H]2Sc3ccccc3NC2=O)c(Cl)cc1Cl 3352081 LVUJRTHEKOENFN-CQSZACIVSA-N 440.308 3.682 0 40 IHAB CN(CC(=O)Nc1ccc(Cl)cc1F)CC(=O)Nc1ccccc1Br 3356622 GHGKTUPKTAJOOS-UHFFFAOYSA-N 428.689 3.751 0 40 IHAB Cc1cc(NC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccccc2F)no1 3425008 CTRUXXGWSJATMS-UHFFFAOYSA-N 437.880 3.605 0 40 IHAB O=C1c2ccccc2C(=O)N1CCSc1nnc(-c2ccco2)n1Cc1ccccc1 3465956 AZGCEXRLQKZFHR-UHFFFAOYSA-N 430.489 3.975 0 40 IHAB CCc1nn2c(=O)cc(COC(=O)c3ccc(NC(=O)C4CCCCC4)cc3)nc2s1 8607364 XKHBMBZVFSRNOA-UHFFFAOYSA-N 440.525 3.589 0 40 IHAB CCOC(=O)[C@@H](CSCC(=O)c1ccc(Br)cc1)NC(=O)OC(C)(C)C 8681074 WOOJBAVJNNRNPS-CQSZACIVSA-N 446.363 3.821 0 40 IHAB Cc1ccccc1OCCOC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12 8721311 LEJODOFXXKQLJO-UHFFFAOYSA-N 428.510 3.712 0 40 IHAB Cc1cc2c(c(O)c1-c1c(C)cc3c(c1O)C(=O)[C@H](O)[C@@H]3C(C)C)C(=O)[C@@H](O)[C@H]2C(C)C 8782775 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435.557 3.955 0 40 IHAB Cc1ccc(-n2c(C)nnc2SCC(=O)NC2CCN(Cc3ccccc3)CC2)cc1 9717089 WJABKWBLECVSTB-UHFFFAOYSA-N 435.597 3.757 0 40 IHAB C[C@@H](OC(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 9837975 SJDMITYVZYZKBT-SNVBAGLBSA-N 449.834 3.946 0 40 IHAB CCOc1ccc2nc(Nc3nc(CSc4nc(C)cc(C)n4)cc(=O)[nH]3)nc(C)c2c1 9939169 KBGXMBYNKROTDN-UHFFFAOYSA-N 449.540 3.863 0 40 IHAB CCCCN(C(=O)c1cc2c(s1)CC[C@@H](CC)C2)c1c(N)n(CCC)c(=O)[nH]c1=O 9956538 WHOCNAMWVYZOCL-CQSZACIVSA-N 432.590 3.552 0 40 IHAB O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)N[C@H]1CCSc2ccccc21 9993366 NLUQMDBQDRSFOR-AWEZNQCLSA-N 427.507 3.911 0 40 IHAB C[C@@H](CCc1ccccc1)NC(=O)CSc1ccc(S(=O)(=O)N2CCCC2)cc1 10010172 CCONLUIXYWZDCC-SFHVURJKSA-N 432.611 3.701 0 40 IHAB COc1ccc(N(CC(=O)N(C)c2ccccc2)S(=O)(=O)c2ccccc2)c(OC)c1 10285302 CHDDIFKQXNVMAZ-UHFFFAOYSA-N 440.521 3.562 0 40 IHAB COc1ccc(-c2[nH]c3ccc(F)cc3c2CCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 10431722 JMRLYCNVJWWUNK-KRWDZBQOSA-N 444.528 3.561 0 40 IHAB 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LLXUNSOZSNLYBK-HXUWFJFHSA-N 434.565 3.543 0 40 IHAB Cc1nc2cc([C@H]3CCCN3C[C@@H]3CC=CCC3)nn2c(O)c1CCC(=O)N1CCCC1 257271236 MXLCDTCQBNFGPR-DENIHFKCSA-N 437.588 3.792 0 40 IHAB Cc1nc([C@@H]2CCN(C(=O)c3ccccc3)C2)nc2c1CC(=O)N2CCCc1ccccc1 257272395 NCGCXRUJTZEBMZ-JOCHJYFZSA-N 440.547 3.937 0 40 IHAB CO[C@H]1CC[C@H](C(=O)N[C@H](Cc2cc(O)nc(-c3ccccn3)n2)c2ccccc2)CC1 257305416 SPXOIWLETYQIFN-SYYKKAFVSA-N 432.524 3.849 0 40 IHAB C[C@H]1CCCN(c2cc(N3CCOCC3)nc(NC(=S)N[C@@H](C)c3ccccc3)n2)C1 260722978 WBTZNEHIBAJBGL-ROUUACIJSA-N 440.617 3.597 0 40 IHAB CCOc1cc(/C=C2/NC(=O)NC2=O)c(Br)cc1OCc1cccc(C)c1 409047065 MMNKSGJSOFBVOW-LZYBPNLTSA-N 431.286 3.916 0 40 IHAB O=C(COc1ccc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc1)Nc1ccccc1 409067136 PGOXASBJMUBKHG-HYARGMPZSA-N 445.450 3.936 0 40 IHAB Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc1C 409119991 RUZFSZFLNDMABB-UHFFFAOYSA-N 438.549 3.842 0 40 IHAB COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2CCC[C@H](C(N)=O)C2)c(OC)c1 513052426 SSSVCFPNXRIPGK-INIZCTEOSA-N 435.524 3.509 0 40 IHAB CCCc1cnc(Nc2cc(C)nc(C3CCN(C(=O)[C@H]4CCCCN4)CC3)n2)s1 585263505 OXAXQMOOEQQICC-GOSISDBHSA-N 428.606 3.786 0 40 IHAB COc1cc(C(=O)N2CCCCN(C)C(=O)c3ccccc3OC[C@@H]2CC(C)C)ccn1 643583547 ARLGKNOGTKHCDF-FQEVSTJZSA-N 439.556 3.892 0 40 IHAB COC[C@H](C)OC(=O)c1c(N)n(CCc2ccc(OC)cc2)c2nc3ccccc3nc12 2327757 GGDNCIIYNDUYID-HNNXBMFYSA-N 434.496 3.610 0 40 IHAB CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2nnc(N)s2)sc2c1CC[C@H](C)C2 3291257 HVBAHOGBCKKYIM-DTWKUNHWSA-N 426.589 3.603 0 40 IHAB CC(C)Cn1c(S[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)nc2ccccc2c1=O 3493849 WGPXXVRAXNYJNV-OAHLLOKOSA-N 439.537 3.943 0 40 IHAB CCCOc1ccc(N2C(=O)C[C@@H](NCCOC34CC5CC(CC(C5)C3)C4)C2=O)cc1 4451488 CDVAYEKBEIKJNT-VBSWXYJSSA-N 426.557 3.682 0 40 IHAB C[C@@H](NC(=O)NC(=O)N(C1CCCCC1)S(C)(=O)=O)C12CC3CC(CC(C3)C1)C2 5445402 XGUZWURWQNRJTP-LFPRZYRFSA-N 425.595 3.605 0 40 IHAB CC(C)CCN(CCC(C)C)C(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O 6375044 VMMCQVBPGRFNOY-OAQYLSRUSA-N 426.561 3.552 0 40 IHAB Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c2ccccc2n1 8752663 XYQNAAFHVWRERT-IAGOWNOFSA-N 439.537 3.593 0 40 IHAB Cc1cc(=O)oc2c3c(cc(OCC(=O)Nc4ccc5c(c4)OCO5)c12)OC(C)(C)CC3 8791625 YNOORVUMWUVIET-UHFFFAOYSA-N 437.448 3.951 0 40 IHAB biogenic CCN(Cc1ccc(Cl)s1)C(=O)CSc1nnc(Cc2ccccc2F)n1N 8981156 QXXQZSDVEMPUIT-UHFFFAOYSA-N 439.969 3.578 0 40 IHAB O=C(C[C@]1(O)C(=O)N(Cc2ccccc2F)c2ccccc21)c1ccc2c(c1)OCCO2 8995533 JFEAFFONOQIWPJ-RUZDIDTESA-N 433.435 3.604 0 40 IHAB COc1ccc(-c2noc(CNC(=O)[C@H](C)Oc3ccc(Br)cc3)n2)cc1 9031579 IEOGKMGQOYOPDX-LBPRGKRZSA-N 432.274 3.591 0 40 IHAB O=C(CSc1nnc(-c2ccc(Cl)cc2)[nH]1)N1CCN(c2ccccc2F)CC1 9095853 GSRKIQHHOCKKAO-UHFFFAOYSA-N 431.924 3.705 0 40 IHAB O=C(NCCc1ccc(F)cc1)[C@H]1CC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1 9199069 ICJQJHFJHZYISD-KRWDZBQOSA-N 427.907 3.710 0 40 IHAB O=S(=O)(c1cccc(CSc2nnc(Nc3ccccc3)s2)c1)N1CCOCC1 9221049 JNQPGYMERIZOLW-UHFFFAOYSA-N 448.595 3.595 0 40 IHAB CCN(C(=O)COC(=O)c1sc2nc(C)[nH]c(=O)c2c1C)c1cccc2ccccc12 9244636 WRPHUSKBGWXYDJ-UHFFFAOYSA-N 435.505 3.965 0 40 IHAB COC(=O)c1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cc(C)on2)cc1 9450696 ZEYLENWYJKSKRQ-FQEVSTJZSA-N 430.416 3.934 0 40 IHAB CCc1ccc(CN(C(=O)COc2ccc(Cl)cc2C)[C@@H]2CCS(=O)(=O)C2)cc1 9459793 GHXIYYWRSTUPLT-HXUWFJFHSA-N 435.973 3.806 0 40 IHAB CNC(=O)NC(=O)[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)c1ccccc1 9478553 NSTCUGIFKPNOOB-QGZVFWFLSA-N 427.555 3.554 0 40 IHAB COc1ccc(Br)cc1Cn1nnc(C(=O)Nc2cccc(Cl)c2)c1N 9749095 FHHZQVBNZGXCNL-UHFFFAOYSA-N 436.697 3.585 0 40 IHAB COc1cc(CC(=O)N[C@H](CCSC)c2nc3ccccc3[nH]2)cc(OC)c1OC 9982068 YPAKXTHKUWCHLU-QGZVFWFLSA-N 429.542 3.742 0 40 IHAB CS(=O)(=O)N(CC(=O)NCCCc1ccccc1)c1ccc(Cl)c(C(F)(F)F)c1 10110233 JPQKPZBJRATRMV-UHFFFAOYSA-N 448.894 3.874 0 40 IHAB O=C(COC(=O)c1cc(Cl)c2c(c1)OCO2)Nc1cc2c(cc1Cl)OCCCO2 10713942 BRNGXGPKAVOCME-UHFFFAOYSA-N 440.235 3.679 0 40 IHAB O=C1N[C@]2(COC3(CCN(Cc4c(F)cccc4F)CC3)C2)Nc2ccc(Cl)cc21 12085558 SZIIAHVAXFUFQU-JOCHJYFZSA-N 433.886 3.925 0 40 IHAB COc1ccc2c(c1)NC1(CCN(C(=O)CCn3nnc4ccccc43)CC1)c1cccn1-2 12117284 IMCAYGAEJVLTFC-UHFFFAOYSA-N 442.523 3.564 0 40 IHAB O=C(CNC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1)NCCc1c[nH]c2ccccc12 12296839 XULADBGSQLQGAE-UHFFFAOYSA-N 449.942 3.729 0 40 IHAB biogenic CCOc1ccc(CCNS(=O)(=O)c2ccc(Br)s2)cc1OCC 12412203 WVDJONCFVSASNZ-UHFFFAOYSA-N 434.377 3.829 0 40 IHAB O=S1(=O)CC[C@@H](Cc2nc3ccccc3n2C[C@@H](O)c2cccc(Br)c2)C1 12535736 SXSWMWBLFQFSSA-IFXJQAMLSA-N 449.370 3.510 0 40 IHAB O=C(NC1CCCC1)[C@@H](c1ccncc1)N(C(=O)c1csnn1)c1ccc(F)cc1 12636313 IGIJEKBRPLFSIX-LJQANCHMSA-N 425.489 3.519 0 40 IHAB C[C@@H](CCc1ccccc1)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)c(Cl)c2)C1=O 12767869 XOMQLDQNUHEJBY-FPTDNZKUSA-N 448.350 3.898 0 40 IHAB COC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@H]1c1ccc(F)cc1F 12823117 NADLMXAYEGHCPY-IBGZPJMESA-N 432.448 3.619 0 40 IHAB O=C(C[C@@](O)(c1ccccc1)C(F)(F)F)OCC(=O)N1CCC(Cc2ccccc2)CC1 12905180 ZZNICNSXFLGPOS-HSZRJFAPSA-N 449.469 3.851 0 40 IHAB Cc1cccc(-c2nnc(Sc3nc(C(F)(F)F)nc4ccccc34)n2CC(N)=O)c1 13013077 NNXJJWLUHAFLKN-UHFFFAOYSA-N 444.442 3.852 0 40 IHAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(Cc1cc(=O)n3ccsc3n1)CC2 13014217 FIRXGCXUJNHIHK-OAQYLSRUSA-N 439.562 3.982 0 40 IHAB Cc1ccccc1N(CC(=O)NCc1ccccc1)C(=O)CCC(=O)Nc1nccs1 13501596 ZMBLATZTLMONHN-UHFFFAOYSA-N 436.537 3.520 0 40 IHAB CCCCN(C(=O)CNC(=O)c1cccs1)[C@H](C(=O)NC1CCCC1)c1ccccc1 13506168 KIQAIAAWMPTEKE-QFIPXVFZSA-N 441.597 3.907 0 40 IHAB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)c1 13612228 BSVYXHNLUHFCEC-QGZVFWFLSA-N 432.542 3.582 0 40 IHAB Cc1ccc(-c2cc(C(=O)NCC(=O)Nc3ccc(Br)cc3C)[nH]n2)cc1 14411424 CQDXPJBXBOLWOU-UHFFFAOYSA-N 427.302 3.825 0 40 IHAB CCCCN(C(=O)c1cc2c(s1)CCCCC2)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 14720923 WAIBVSVOXWONIZ-UHFFFAOYSA-N 432.590 3.552 0 40 IHAB COc1ccc(-c2nc(Cn3c(=O)n(C(C)C)c(=O)c4ccccc43)c(C)o2)cc1OC 15829292 IGNDEXBJRMDQJK-UHFFFAOYSA-N 435.480 3.773 0 40 IHAB CC(C)C(=O)N1CCCc2cc([C@H](O)CN3CCN(c4ccc(F)cc4F)CC3)ccc21 19085751 VOLYKPDYNLRWGA-XMMPIXPASA-N 443.538 3.756 0 40 IHAB CN(C)c1ncc(-c2ccc(F)cc2)c([C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)n1 19694508 WSWSABJQGGEZNZ-SFHVURJKSA-N 440.544 3.917 0 40 IHAB COc1ccccc1NC(=O)c1cnc([C@@H]2CCCCN2C(=O)c2cnc(C)cn2)nc1C 19755798 CHIKHQTVFHQWDN-FQEVSTJZSA-N 446.511 3.512 0 40 IHAB CNc1cc(CN(C)C(C)=O)nc([C@H]2CCCN2C(=O)c2cc3c(s2)CCCCC3)n1 19759470 UYHVXHHWDMTEHL-GOSISDBHSA-N 441.601 3.804 0 40 IHAB CCc1ccc(N2C[C@@H](c3nnc(NC(=O)c4ccc5c(c4)OCO5)s3)CC2=O)cc1 20578651 CYIMRTRIZMSCCV-HNNXBMFYSA-N 436.493 3.602 0 40 IHAB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 21130661 QSWYBRHEPVHQQL-UHFFFAOYSA-N 444.340 3.601 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 22273818 PCKUBBSVHLQIPB-UHFFFAOYSA-N 438.505 3.697 0 40 IHAB Cc1ccccc1C(=O)NCCC(=O)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 22321274 IWWCAQSIEYDKQT-UHFFFAOYSA-N 448.592 3.583 0 40 IHAB COc1ccc(NC(=O)Cc2c(C)noc2C)cc1S(=O)(=O)Nc1ccccc1Cl 24068783 UWKSCEHKFHFCPG-UHFFFAOYSA-N 449.916 3.935 0 40 IHAB CCN1C[C@@H](CN(C)C(=O)c2cc(OC)c(Br)c(OC)c2)Oc2ccccc21 24652850 ALEYEVPXJJQTKF-OAHLLOKOSA-N 449.345 3.826 0 40 IHAB CCCCCn1c(CCC(=O)N[C@@H]2CCCC[C@@H]2C)nc2c1c(=O)[nH]c(=O)n2CCCC 26978671 UTEGXHZKUTWGQM-ZWKOTPCHSA-N 445.608 3.504 0 40 IHAB O=c1/c(=C/c2ccc(Cl)cc2Cl)sc2nc([C@@H]3COc4ccccc4O3)nn12 27020984 WOZSQGRZIWVSBQ-BESIOYJRSA-N 432.288 3.518 0 40 IHAB CN(Cc1ccc(C(=O)NC2CC2)cc1)Cc1cc2c(cc1Br)OCCO2 27289155 ADCRGLJWPLRTFP-UHFFFAOYSA-N 431.330 3.745 0 40 IHAB CCc1noc(CSc2nnc(-c3nn(Cc4ccccc4)c(=O)c4ccccc34)o2)n1 29135905 ONLPDAZJMPZKTQ-UHFFFAOYSA-N 446.492 3.733 0 40 IHAB NC(=O)[C@H]1CC(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)=NN1c1ccc(F)cc1 30564714 BGDSKZHSRXPVHJ-CYBMUJFWSA-N 449.920 3.723 0 40 IHAB Cc1ccc(OCC(=O)Nc2ccccc2N2CCN(C(=O)c3ccccc3)CC2)cc1 32125327 JKNIXBPTCQLGBT-UHFFFAOYSA-N 429.520 3.975 0 40 IHAB O=c1ccc2cc(S(=O)(=O)Nc3ccccc3-c3nnc4n3CCCCC4)ccc2o1 32754962 GNDWTHGTXRMZKT-UHFFFAOYSA-N 436.493 3.579 0 40 IHAB CCCCN(C)S(=O)(=O)c1ccc(NC(=O)c2cc3cnn(C(C)C)c3nc2C)cc1 32847858 WEXGBWWALCFVMC-UHFFFAOYSA-N 443.573 3.994 0 40 IHAB O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1cc(-c2ccco2)nn1-c1ccccc1 32868907 KRGCDIWQFDAJPG-NRFANRHFSA-N 448.548 3.997 0 40 IHAB O=C(c1ccc(=O)n(CCOc2ccccc2)n1)N(Cc1c(F)cccc1Cl)C1CC1 32903975 PDPOPCLDQMGADF-UHFFFAOYSA-N 441.890 3.920 0 40 IHAB O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)N[C@H]1CCN(Cc2ccccc2)C1 32986396 IGSHQESBBUHXRH-SFHVURJKSA-N 428.945 3.873 0 40 IHAB O=C(Nc1ncc(F)s1)[C@H](CC1CCOCC1)c1ccc(S(=O)(=O)C2CC2)cc1 36403097 DBMFNEZMJWKKPU-QGZVFWFLSA-N 438.546 3.757 0 40 IHAB O=S(=O)(c1ccc(NC(=S)Nc2ccc(C(F)(F)F)cc2)cc1)N1CCOCC1 39974586 DZULXJUVPOCPDA-UHFFFAOYSA-N 445.488 3.535 0 40 IHAB CCc1nn2c(ncc3c(=O)n(NC(=O)c4ccc(F)cc4)ccc32)c1-c1ccccc1 40387952 WKPNFSCGVQQGED-UHFFFAOYSA-N 427.439 3.797 0 40 IHAB Cc1ccc(Cl)cc1N(CC(=O)NCc1ccccn1)S(=O)(=O)c1ccccc1 44792555 VLCPVFUBYIIEKK-UHFFFAOYSA-N 429.929 3.555 0 40 IHAB CCOc1ccc(NC(=O)Cn2cc(-c3ccccc3)c3ncn(CCOC)c(=O)c32)cc1 48987982 OJKFNCHWCJZKNT-UHFFFAOYSA-N 446.507 3.549 0 40 IHAB CN1CCN(c2ccc(C(F)(F)F)cc2NC(=O)N2CCC[C@@H](N3CCCC3)C2)CC1 58265890 FIJYKGIFZFGSAL-GOSISDBHSA-N 439.526 3.549 0 40 IHAB CCN(CC)Cc1ccc(C(=O)Nc2ccc(CC(=O)N3CCSCC3)cc2)cc1 60307171 QLKAUKUWOCGBHK-UHFFFAOYSA-N 425.598 3.899 0 40 IHAB Cc1noc(C)c1CCC(=O)N1CCC[C@@H](c2n[nH]cc2C(=O)N(C)Cc2ccccc2)C1 72344810 HWFMVDYFMTXQMP-HXUWFJFHSA-N 449.555 3.626 0 40 IHAB Cc1n[nH]cc1C(=O)N1CCC[C@@H](c2nc(C)c3c(n2)N(CCc2ccccc2)CCC3)C1 72380203 KTBCYZHCYSJIPQ-OAQYLSRUSA-N 444.583 3.832 0 40 IHAB Cc1[nH]nc(C(F)F)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](C)C2)c1 95456728 YLQOEXLCYDKTMI-JTQLQIEISA-N 446.907 3.982 0 40 IHAB Cc1nc2ccc(F)cc2c(=O)n1CC(=O)N1CCC(c2noc3cc(F)ccc23)CC1 95479447 ZCAFMXLTWSFRQJ-UHFFFAOYSA-N 438.434 3.531 0 40 IHAB COc1cccc2[nH]cc([C@H](CC(=O)N[C@H]3CCS(=O)(=O)C3)c3ccc(Cl)cc3)c12 95479862 POHHEPQUUUQVCE-DLBZAZTESA-N 446.956 3.655 0 40 IHAB COc1cc2cc(C(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)n(C)c2cc1OC 96118284 ZTBKURYMIROZKD-UHFFFAOYSA-N 428.916 3.973 0 40 IHAB COc1ccc(NS(=O)(=O)c2sc3ccc(C)cc3c2C)cc1N1CCNCC1 96179454 UJHBBKVWYXPDQD-UHFFFAOYSA-N 431.583 3.737 0 40 IHAB in-vitro COCCNC(=O)C[C@@H]1CC2(CCN(C(=O)c3ccccc3C)CC2)Oc2ccccc21 96243120 GCEQPJZMPVGLBS-HXUWFJFHSA-N 436.552 3.689 0 40 IHAB CCCCOC(=O)c1ccc(NS(=O)(=O)c2cc3c4c(c2)[C@H](C)C(=O)N4CCC3)cc1 101079164 PNUCXFSENRRZCA-HNNXBMFYSA-N 442.537 3.841 0 40 IHAB O=C1[C@@H]2[C@@H](C(=O)N1c1nn(Cc3ccc(Cl)cc3)cc1Br)[C@H]1C=C[C@H]2C1 101569637 YNNLIBKIVHOOEB-APYUEPQZSA-N 432.705 3.659 0 40 IHAB CCc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(Br)cc4)N4CCCN4[C@H]3C2=O)cc1 102710777 UMVPNPOVKATLAH-XUVXKRRUSA-N 440.341 3.547 0 40 IHAB Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)NCc3ccco3)CC2=O)cc1C 103716924 YUIXCLLZUZIEHC-GOSISDBHSA-N 431.492 3.818 0 40 IHAB O=C(Nc1ccccc1Cl)[C@@H]1[C@@H]2C(=O)N(CCc3c[nH]c4ccccc34)C[C@@]23C=C[C@H]1O3 136133862 JKCDUQKQKPKOSA-FFHOAYQKSA-N 447.922 3.785 0 40 IHAB Cc1cccc(N(CCCC(=O)NCCCN2CCCc3ccccc32)S(C)(=O)=O)c1 219624591 QOXAKCCNODFLDK-UHFFFAOYSA-N 443.613 3.500 0 40 IHAB CN(CCCNC(=O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1)c1ccccc1 222539309 ZNGZPDHJTPVJAE-UHFFFAOYSA-N 437.565 3.768 0 40 IHAB C[C@H]1Cc2ccccc2N1C(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1 222651087 DHBUIXFHBBOSCI-SFHVURJKSA-N 436.533 3.522 0 40 IHAB C[C@@H](C(=O)NCc1ccncc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1 222852344 RQKMKXGBEIURSW-SFHVURJKSA-N 437.927 3.848 0 40 IHAB Cc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)Cc3ccc(F)cc3)cc2)cc1 224550117 QQHKOPMMHFLKLH-UHFFFAOYSA-N 434.514 3.877 0 40 IHAB COc1ccc(C(=O)N(C)Cc2ccccc2)cc1CN(C)S(=O)(=O)c1ccccc1 224771796 YJEXHUQLKFTNMS-UHFFFAOYSA-N 438.549 3.788 0 40 IHAB CC[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1)c1ccc(OC)c(C)c1 225530689 AVWBCPYWCHPRHZ-IRLDBZIGSA-N 444.597 3.980 0 40 IHAB COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(C)o1 225659241 XEUIQUDSTMPLHI-FCHUYYIVSA-N 436.537 3.993 0 40 IHAB Cc1cc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)ccc1N1CCCC1=O 225717052 JGZPOUSQJJKMCZ-UHFFFAOYSA-N 445.566 3.880 0 40 IHAB COc1ccc(CNC(=O)[C@@H]2C[C@H]3CC[C@@]2(C)C[C@]32NC(=O)c3ccccc3N2)cc1OC 257271986 NAPSXURYNZBPCB-NDKONCKKSA-N 449.551 3.698 0 40 IHAB Cc1nc2cc([C@H]3CCN(Cc4ccc(F)cc4)C3)nn2c(C)c1CCC(=O)NC(C)C 257338610 YYECKKBLKYTOQB-FQEVSTJZSA-N 437.563 3.932 0 40 IHAB Cc1cc(OC[C@]2(O)CCCN(CC(=O)NCc3cccc(F)c3)C2)cc(C)c1Cl 257342378 ZOICAPZPLCPUSV-QHCPKHFHSA-N 434.939 3.618 0 40 IHAB COc1ccc(OC)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)cc(C)cc3C)C2)c1 408561450 SPMPEBBMRBVBGL-GOSISDBHSA-N 446.569 3.668 0 40 IHAB CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)N[C@@H](C)CCc2ccccc2)cc1 408597901 WHBKEYSLPVTLOS-OALUTQOASA-N 432.586 3.526 0 40 IHAB COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(Br)c(Cl)c1O 408901987 DGSXERHPLXBFLG-GHXNOFRVSA-N 437.702 3.587 0 40 IHAB CC(C)c1ccc(-n2ccnc2SCC(=O)Nc2cncc(-c3nncn3C)c2)cc1 514046732 XMTZDGWDPXKGFM-UHFFFAOYSA-N 433.541 3.917 0 40 IHAB CC(=O)N[C@@H](C(=O)N1CC[C@H]2O[C@H]3c4cc(Cl)ccc4OC(C)(C)[C@@H]3C[C@H]2C1)C(C)C 1848356572 AFWVBGAXUWPWGK-KVQUSVNISA-N 448.991 3.966 0 40 IHAB COc1ccccc1S(=O)(=O)N1CCC(CN(C)c2cc(C(F)(F)F)ccn2)CC1 1888897420 SQRZOSDNNLXFJN-UHFFFAOYSA-N 443.491 3.646 0 40 IHAB CCn1cc(NC(=O)CN2CCC[C@](O)(COc3cc(C)c(Cl)c(C)c3)CC2)c(C)n1 2037912758 YXKDYSRPZHWJCD-HSZRJFAPSA-N 448.995 3.716 0 40 IHAB CCn1c(COc2ccccc2C)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2 881628 SWGBVXCWEHVOCS-UHFFFAOYSA-N 440.525 3.687 0 40 IHAB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc(OC)c1OC 1008169 KWSAEQDWGMJKJE-WQRHYEAKSA-N 442.493 3.696 0 40 IHAB Nc1c(S(=O)(=O)c2cccc(Cl)c2)c2nc3ccccc3nc2n1C[C@@H]1CCCO1 2417662 XRPVYFZMIKMOCA-AWEZNQCLSA-N 442.928 3.832 0 40 IHAB O=C(CSc1nc2scc(C3CC3)c2c(=O)n1-c1ccccc1)NC[C@@H]1CCCO1 2661794 PMSJFKMNMBKAHP-INIZCTEOSA-N 441.578 3.712 0 40 IHAB CCCCc1ccc(NC(=O)Cn2ccc3c(OCC(=O)OCC)cccc3c2=O)cc1 2712214 YCAUSWVAAYTZSR-UHFFFAOYSA-N 436.508 3.925 0 40 IHAB Cc1cc(C)n2nc(C(=O)OCC(=O)c3c(-c4ccccc4)n(C)c4ccccc34)nc2n1 3354969 AUHCAMUBCPAPQN-UHFFFAOYSA-N 439.475 3.940 0 40 IHAB CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(Cl)cc3)cc2)CC1 4109418 XRPKLTNDHHUQND-UHFFFAOYSA-N 444.988 3.916 0 40 IHAB CCOc1ccc(NC(=S)N(CCCO)Cc2cc3ccc(C)cc3[nH]c2=O)cc1 4127028 SLEJJRGANHQYKT-UHFFFAOYSA-N 425.554 3.817 0 40 IHAB CCn1c(CC(=O)Nc2ccccc2C)nnc1SCC(=O)N[C@H]1CCCC[C@@H]1C 4816158 HDEGFTGIXYLFDK-WMZOPIPTSA-N 429.590 3.575 0 40 IHAB COc1ccc(C(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3c2cc(-c3cccs3)nn2C)cc1 8635428 VHAWEYSFNRAKFC-NSHGMRRFSA-N 436.581 3.765 0 40 IHAB biogenic,in-vitro COc1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1S(=O)(=O)N1CCCCC1 8694034 DLJAIAYKXYBOQM-UHFFFAOYSA-N 427.526 3.532 0 40 IHAB Cc1nc(SCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)n(C2CCCC2)c1C 8720192 KHKGZVHVNRWIMP-UHFFFAOYSA-N 436.603 3.596 0 40 IHAB COc1ccc(-c2cc(=O)oc3cc(O[C@H](C)C(=O)NCc4ccncc4)ccc23)cc1 8791182 IIYFNQJOFAYADT-MRXNPFEDSA-N 430.460 3.947 0 40 IHAB biogenic O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(CSc2ccccc2)cc1 8815800 DGJBTZBKVBLNQO-UHFFFAOYSA-N 438.530 3.762 0 40 IHAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(NCc2ccco2)s1 8862461 XUDVLGLEWWWHPG-GFCCVEGCSA-N 429.527 3.599 0 40 IHAB COc1cccc(CCNC(=O)c2sc(NS(=O)(=O)c3ccc(C)cc3)nc2C)c1 8978946 FJBNWBRLZGTZRG-UHFFFAOYSA-N 445.566 3.542 0 40 IHAB CS(=O)(=O)Nc1ccccc1C1=NN(C(=O)c2ccccc2F)[C@@H](c2ccco2)C1 9260397 DVRBVEQFVSRHQR-LJQANCHMSA-N 427.457 3.782 0 40 IHAB Cc1cc(C)n(-c2nc(-c3ccccc3)cc(=O)n2CC(=O)NCc2ccccc2Cl)n1 9325095 KAQLNSQPHZECAO-UHFFFAOYSA-N 447.926 3.683 0 40 IHAB CCCOc1ccc([C@@H]2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2CCN(C)C)cc1 9328360 ZYTXREJSXFJXLQ-JOCHJYFZSA-N 436.508 3.697 0 40 IHAB COc1ccc(NC(=O)CSc2cc(C(=O)c3nccn3C)c3ccccc3n2)cc1 9372911 KZKRGXABUVRKKL-UHFFFAOYSA-N 432.505 3.939 0 40 IHAB CC[C@@H](C)N1C(=O)[C@@H]2[C@@H]3C=Cc4ccc5cccnc5c4N3[C@H](C(=O)C(C)(C)C)[C@@H]2C1=O 9423634 AFBKHIUFLLKDFT-RRHOPFMGSA-N 431.536 3.834 0 40 IHAB O=C(CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1)NCCc1ccc(F)cc1 9508080 SPLQCXCAOWYLJB-QGZVFWFLSA-N 446.573 3.776 0 40 IHAB COc1ccc(Cl)c2sc(N(CCN(C)C)C(=O)Cc3ccc4c(c3)OCO4)nc12 9521175 DEFZDFXYRVELOH-UHFFFAOYSA-N 447.944 3.824 0 40 IHAB COc1cccc(N2C[C@@H](C(=O)Nc3nnc(C[C@H](C)c4ccccc4)s3)CC2=O)c1 9614751 JWMIIUALQLFRAG-RDJZCZTQSA-N 436.537 3.885 0 40 IHAB Cc1ccc(-c2nnc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3cccs3)o2)c(C)c1 9664134 IPELFBCAVPJATE-MRXNPFEDSA-N 446.554 3.597 0 40 IHAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)COc2cc3oc(=O)cc(C)c3cc2Cl)c1 9704072 XUIJGMJFKBLXFM-UHFFFAOYSA-N 442.899 3.848 0 40 IHAB CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCC(c3nc4ccccc4s3)CC1)C2=O 9818014 FTQFIJWQFCQAEY-UHFFFAOYSA-N 440.569 3.503 0 40 IHAB COC(=O)c1c(NC(=O)COC(=O)CCCOc2ccc(OC)cc2)sc(C)c1C 9963943 PCGIAZAVXODANK-UHFFFAOYSA-N 435.498 3.501 0 40 IHAB COc1cc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)cc2)cc(OC)c1OC 10004182 ZIUJYRXRCZJZKZ-UHFFFAOYSA-N 442.493 3.592 0 40 IHAB C[C@H](NC(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1)c1ccc(C(C)(C)C)cc1 10276666 MPHXINWBUNJJFE-KRWDZBQOSA-N 432.586 3.632 0 40 IHAB CN(C)CCCn1c(-c2ccc(S(=O)(=O)N(C)C)cc2)cs/c1=N\c1ccccc1 11914291 XZMNTKSGZLQXDB-FCQUAONHSA-N 444.626 3.651 0 40 IHAB Cc1cc(C)n(C[C@H](C)C(=O)N2CCC[C@@H](n3nnc4cc(C(F)(F)F)ccc43)C2)n1 12184958 WFOKRNACKKQKFU-SUMWQHHRSA-N 434.466 3.763 0 40 IHAB CC(C)c1nn(CC(=O)Nc2ccc(F)cc2F)c(=O)c2c1cnn2-c1ccc(F)cc1 12228974 HGOHZGQDFVLTLV-UHFFFAOYSA-N 441.413 3.762 0 40 IHAB O=C(CSC1=Nc2c(cnn2-c2ccc(Cl)cc2)C2=NCCCN12)N1CCCCC1 12322784 RBTSFKYPPDACHQ-UHFFFAOYSA-N 442.976 3.725 0 40 IHAB COc1ccc(OC)c(/C=C/C(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)c1 12528900 MECUUYTZSPZLHU-JLHYYAGUSA-N 444.553 3.920 0 40 IHAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 12541896 MIRIBSFCSZGVKW-ZIFCJYIRSA-N 437.883 3.562 0 40 IHAB COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)Cc2ccccc2F)c1 12557302 OLHXSNDCYHVQRQ-UHFFFAOYSA-N 430.457 3.522 0 40 IHAB Cc1ccc(C(=O)NCC(=O)Nc2cccc(C(=O)N3CCc4sccc4C3)c2C)cc1 12872218 KKPGKFBVYBXHCQ-UHFFFAOYSA-N 447.560 3.932 0 40 IHAB CCc1cccc(C)c1NC(=O)CN1C(=O)C(C)(C)Oc2ccc(C(=O)NC(C)C)cc21 12875861 KERNQRBVWLZETR-UHFFFAOYSA-N 437.540 3.838 0 40 IHAB CNS(=O)(=O)c1cc(NC(=O)c2sc(-c3ccc(OC)cc3)nc2C)ccc1C 12947279 FHJSNBYQYPJMLS-UHFFFAOYSA-N 431.539 3.596 0 40 IHAB C[C@@H](NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O)c1ccccc1Br 12994727 GGTGZSUIPWMTHU-CHWSQXEVSA-N 437.359 3.651 0 40 IHAB COc1ccccc1[C@@H](c1nnnn1C(C)(C)C)N1CCN(c2cccc(C)c2C)CC1 13504001 QXCDVHTULCCCOM-QHCPKHFHSA-N 434.588 3.965 0 40 IHAB CCOC(=O)N[C@@]1(C(F)(F)F)N=C(c2ccccc2)N(CCc2ccccc2OC)C1=O 13557204 SOWNXVVDMHRSBX-NRFANRHFSA-N 449.429 3.531 0 40 IHAB COc1ccc([C@H]2CC(=O)N(c3ccc(Br)cc3)C3=C2C(=O)OC3)cc1OC 13567556 RQHVTRMEVBRBAO-OAHLLOKOSA-N 444.281 3.798 0 40 IHAB CC1(C)Cc2c(c(N3CCOCC3)nc3sc(C(=O)Nc4ccccc4)c(N)c23)CO1 13800953 AEMJFGSKZPGQOV-UHFFFAOYSA-N 438.553 3.819 0 40 IHAB Cc1nc(-c2ccc(NC(=O)CNC(=O)c3ccc(N4CCCC4=O)cc3)cc2)cs1 14129369 IJPDYGROJZYUDJ-UHFFFAOYSA-N 434.521 3.614 0 40 IHAB CCOc1cc(C(=O)OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc(Br)c1OC 14129423 JZRMPODBIARPSS-BETUJISGSA-N 428.323 3.803 0 40 IHAB COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)Cc1ccc(Br)cc1 14141042 DRDAKJZKDJAJSW-UHFFFAOYSA-N 425.710 3.751 0 40 IHAB CCOc1ccc(C(=O)NC[C@H](c2ccco2)S(=O)(=O)c2ccc(OC)cc2)cc1 15781180 WKEMKHIQUPASGX-OAQYLSRUSA-N 429.494 3.632 0 40 IHAB CCOc1ccc(N(CC(=O)NCC2CCCCC2)S(=O)(=O)c2ccccc2)cc1 16691628 NRWPFTRJIIQHBC-UHFFFAOYSA-N 430.570 3.977 0 40 IHAB CCOc1ccc2oc(C(=O)Nc3ccc(OC)c(S(=O)(=O)N(C)C)c3)c(C)c2c1 18838082 MKVAOPQTMGUENL-UHFFFAOYSA-N 432.498 3.651 0 40 IHAB Cc1cnc(C(=O)N2CCC[C@H](c3cc(NC(C)C)nc(-c4cnc(C)s4)n3)C2)cn1 19238865 RCWYSYCUEIRMLX-INIZCTEOSA-N 437.573 3.847 0 40 IHAB c1ccc(-c2cnc3c(c2)[C@H](N2CCOCC2)n2nc(-c4cccnc4)nc2S3)cc1 19374044 DBCPVCDIXFKJFF-JOCHJYFZSA-N 428.521 3.746 0 40 IHAB CC(C)NC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CCCN(C(=O)c2cnccn2)C1 19448905 ZVAJRXDDSJJEPJ-SANMLTNESA-N 443.551 3.528 0 40 IHAB CC(C)c1ncc(CN2CCC([C@@H]3C[C@H](C(=O)Nc4ccc(F)cc4)CN3C)CC2)cn1 19454000 WWMAELAHMBLDAN-REWPJTCUSA-N 439.579 3.910 0 40 IHAB CCCN1CCN(C(=O)c2cn(C)cn2)C[C@@H](Cc2ccccc2-c2cccs2)C1=O 19503322 KECXFMDCAOSGAA-LJQANCHMSA-N 436.581 3.702 0 40 IHAB CC(=O)N1CCC[C@@H]1c1nc(CN(C)C(=O)c2cc3cc(C)ccc3o2)cc(N(C)C)n1 19760271 MPFCRRFUXYRURC-LJQANCHMSA-N 435.528 3.553 0 40 IHAB CC(C)Oc1ccc(CNC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc1 20046154 FUUKSRPTWZVVIV-UHFFFAOYSA-N 426.538 3.709 0 40 IHAB CCN1c2cc(OC)c(OC)cc2C(C)=C(C(=O)Nc2cc(C)ccc2C)S1(=O)=O 20064028 VWZQQCMVIQGYCU-UHFFFAOYSA-N 430.526 3.860 0 40 IHAB O=C(N[C@H]1CCCc2ccccc21)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 20107115 CPKMLQHCMKKDQJ-QFIPXVFZSA-N 430.545 3.561 0 40 IHAB Cc1ccccc1Cn1ccc(NC(=O)COCc2cc(-c3ccc4c(c3)OCO4)on2)n1 20418691 WNMWPYNIUPNEGG-UHFFFAOYSA-N 446.463 3.779 0 40 IHAB COCCN1C(=O)c2ccccc2[C@H](C(=O)NCc2ccccc2OC)C12CCCCC2 20739122 KUKUJDQPOPDXRA-HSZRJFAPSA-N 436.552 3.900 0 40 IHAB C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)Nc1ccccc1OC(F)(F)F)C2=O 21759511 GDPKXWYEDZKLSX-BLVKFPJESA-N 427.423 3.661 0 40 IHAB CC(C)(C)SCCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1cccs1 22389006 OOVRJFLLCVQTDC-UHFFFAOYSA-N 430.592 3.730 0 40 IHAB Cc1ccc(-n2cc(C(=O)N3CCN(CCN4CCCC4)CC3)c(-c3ccccc3)n2)cc1 22786259 NFHREZKIVGRXQF-UHFFFAOYSA-N 443.595 3.701 0 40 IHAB COc1ccc(OC)c(CNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)c1 25823693 FNPHEQLQDLHPTJ-UHFFFAOYSA-N 444.484 3.574 0 40 IHAB COc1cc2c(cc1OC)CN(C(=O)c1ccc(=O)n(Cc3ccccc3Cl)c1)CC2 31239309 ROECREGHOJZJAZ-UHFFFAOYSA-N 438.911 3.766 0 40 IHAB Cc1ccccc1[C@H](CC(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1Cl)NC(N)=O 32796547 ZNLZBSVYJOBKSL-PMACEKPBSA-N 445.947 3.947 0 40 IHAB COCc1c(C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@H]2CCCO2)oc2ccccc12 32983189 AQLGXSTURGNGFD-MRXNPFEDSA-N 447.491 3.637 0 40 IHAB CSCC[C@@H](NC(=O)c1cc(S(C)(=O)=O)ccc1Cl)c1nc2ccccc2[nH]1 32990914 TUNDDBBNJMQVEH-QGZVFWFLSA-N 437.974 3.844 0 40 IHAB Cc1ccc(-c2nn3c(=O)cc(CNC(=O)Nc4ccc(F)cc4F)nc3s2)cc1 32996051 VUXHOSVZJUVQLZ-UHFFFAOYSA-N 427.436 3.726 0 40 IHAB O=C(NC[C@H]1COc2ccccc2C1)c1ccc(Cl)cc1I 33222277 QHMHRQZKPHCNAV-NSHDSACASA-N 427.669 3.926 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3cc4c(s3)CCCCC4)CC2)c1 33499226 HDILZEAOSXFBFM-UHFFFAOYSA-N 432.611 3.781 0 40 IHAB CCCC[C@H](c1nnnn1Cc1ccc2c(c1)OCO2)N1CCN(c2ccccc2)CC1 35289904 COROWWIUDGRCOB-OAQYLSRUSA-N 434.544 3.504 0 40 IHAB COCCN1CCCc2ccc(NS(=O)(=O)c3ccccc3Br)cc21 35588205 PWDRIGLIDAYAKJ-UHFFFAOYSA-N 425.348 3.649 0 40 IHAB Cc1nc(SCc2cccc(Cl)c2)[nH]c(=O)c1CC(=O)Nc1ccc2c(c1)OCO2 35596849 KRVLBIKYEGLYKC-UHFFFAOYSA-N 443.912 3.934 0 40 IHAB CSCC[C@@H](NC(=O)[C@H]1Cc2ccccc2CN1)C(=O)Nc1ccc(C(C)C)cc1 35877035 MKQCTEQDNIYCNA-FGZHOGPDSA-N 425.598 3.701 0 40 IHAB C[C@@H](OC(=O)c1c2c(nc3ccccc13)CCCCC2)C(=O)Nc1ccc(C(N)=O)cc1 39547124 NICJQHUHIGZSQZ-OAHLLOKOSA-N 431.492 3.787 0 40 IHAB COc1ccc(CN2CCCN(C(=O)c3cc4sc(N(C)C)nc4s3)CC2)cc1 40155411 KXBRKOITBGSZEB-UHFFFAOYSA-N 430.599 3.781 0 40 IHAB CC(C)(C)NS(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1 41096901 CHFIIYOSORJVPJ-UHFFFAOYSA-N 440.587 3.633 0 40 IHAB CSCC[C@@H](NC(=O)c1nc(SCc2ccc(C)cc2)ncc1Cl)C(=O)O 41156806 YTNJUXJAZMSZGY-CQSZACIVSA-N 425.963 3.667 0 40 IHAB COC(=O)c1cc(CN(C)C(=O)c2cccc(NC(=O)[C@@H]3Cc4ccccc4O3)c2)oc1C 48262065 TUXHZZROGGMSMM-QFIPXVFZSA-N 448.475 3.589 0 40 IHAB Cc1cc(NC(=O)CSc2nc3ccsc3c(=O)n2CCc2cccs2)no1 57488986 PDOHETGADMWVPD-UHFFFAOYSA-N 432.552 3.789 0 40 IHAB COc1ccc([C@@H](C)NC(=O)Cn2c(=O)cc(-c3nc(C4CC4)no3)c3ccccc32)cc1 67317992 ICVAAEXKUTWWCO-OAHLLOKOSA-N 444.491 3.815 0 40 IHAB COC(=O)[C@H](Cc1ccc(OCc2ccccc2)c(O)c1)NC(=O)OCc1ccccc1 77272622 XRUVERDUHRJKJQ-NRFANRHFSA-N 435.476 3.982 0 40 IHAB in-vitro CCO[C@@H]1C[C@@H](NC(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)C12CCCC2 78935370 JPDWODODRVNLSH-HZPDHXFCSA-N 439.482 3.547 0 40 IHAB CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N1c2ccccc2C[C@@H]1C(=O)OC(C)(C)C 84752655 WPUYRKJZHUKYEA-DHIUTWEWSA-N 434.536 3.822 0 40 IHAB COc1ccc(CN(Cc2ccc(S(=O)(=O)N(C)C)o2)C2CCCCC2)cc1OC 95389767 ONBLJUWWNNUUPV-UHFFFAOYSA-N 436.574 3.882 0 40 IHAB Cc1nc(-c2ccc(S(=O)(=O)N3CCC[C@H](c4nncn4C4CC4)C3)s2)cs1 95461611 BKTIUSFHZRDWMA-ZDUSSCGKSA-N 435.600 3.675 0 40 IHAB COc1cc2ccncc2cc1OCC(=O)Nc1cccc(I)c1 95997144 XPLRGSLKMAPNFW-UHFFFAOYSA-N 434.233 3.866 0 40 IHAB CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1ccc(OCC(F)(F)F)nn1 96004530 AWTDTODGODPQLY-UHFFFAOYSA-N 437.397 3.652 0 40 IHAB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C(/NCc1cccc(F)c1)Nc1ccccc1 101382504 SOBPFTDTWJIMEV-MRCUWXFGSA-N 448.429 3.661 0 40 IHAB Cc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1 216442799 PVNINLHCMZTFFZ-UHFFFAOYSA-N 425.510 3.989 0 40 IHAB CC[C@H](C(=O)NCCSC(C)(C)C)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 220758348 RFYGRUNYODWZJK-CQSZACIVSA-N 437.027 3.541 0 40 IHAB COc1ccc(CCNC(=O)c2cccc(N(C)S(=O)(=O)c3ccc(C)cc3)c2)cc1 222543750 AACQECQPVRYTRO-UHFFFAOYSA-N 438.549 3.801 0 40 IHAB CCOC(=O)c1cccc(NC(=O)CCCN(c2cc(C)cc(C)c2)S(C)(=O)=O)c1 222573742 AQMJCSFIKKQKOR-UHFFFAOYSA-N 432.542 3.665 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)c3ccc(C)c(C)c3)C2)cc1 222587787 TYZQCOBFYRPYSD-LJQANCHMSA-N 430.570 3.766 0 40 IHAB CCc1ccc(N(CCCC(=O)Nc2cc(C(=O)OC)ccc2C)S(C)(=O)=O)cc1 222642790 OAACXRRAXDHTFV-UHFFFAOYSA-N 432.542 3.529 0 40 IHAB CC1(C)C[C@H](NC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)c2ccccc2O1 222660256 FAGMZORUBKFBQA-SFHVURJKSA-N 434.533 3.791 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)Cc2ncc(C(=O)Nc3ccc(C(C)C)cc3)cn2)cc1 223382293 WGEYOZHMAIUXNU-UHFFFAOYSA-N 438.553 3.981 0 40 IHAB CSc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(C)C)cc1NC(C)=O 224051547 DLAMUIGPBZIPMB-UHFFFAOYSA-N 435.571 3.554 0 40 IHAB CC[C@@H](C(=O)NCCOc1cc(C)cc(C)c1)N(c1cc(C)cc(C)c1)S(C)(=O)=O 224101410 BATDTBWGHKOUTI-QFIPXVFZSA-N 432.586 3.660 0 40 IHAB CC[C@H](NS(=O)(=O)c1nnc(NC(=O)c2ccccc2C)s1)c1ccccc1C 224643406 CRDQACIPGULOOE-KRWDZBQOSA-N 430.555 3.837 0 40 IHAB COc1ccc(C(=O)NCc2ccc(F)cc2)cc1CN(C)S(=O)(=O)c1ccccc1 224775706 XHSHPAVQWLURTD-UHFFFAOYSA-N 442.512 3.585 0 40 IHAB CCc1ccc(CC)c(CNC(=O)[C@@H](CC)Oc2ccc(N(C)S(C)(=O)=O)cc2)c1 225034875 QKGZLRWTQMADIL-JOCHJYFZSA-N 432.586 3.681 0 40 IHAB CC(C)(C)c1ccc(OCCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1 225184345 UKVXSRSSYSDWKN-UHFFFAOYSA-N 442.581 3.641 0 40 IHAB COCCC(=O)N[C@@]1(C)C[C@H](c2cc(OC)c3c(c2)OCCO3)O[C@@H]2C[C@H](C)CC[C@H]21 257227836 FRDKBYYWGQDKAC-SWKHNELLSA-N 433.545 3.644 0 40 IHAB Cc1cc(Nc2ncccn2)cc(C2CCN(C(=O)[C@@H]3CC(=O)OC34CCCCC4)CC2)n1 257231488 GGXVNBCOOVZVBJ-FQEVSTJZSA-N 449.555 3.896 0 40 IHAB COc1cccc2c1OC(C)(C)[C@H]1C[C@@H]3CN(C(=O)CCCc4cn[nH]c4)CC[C@@H]3O[C@H]21 257256948 KNNAQXQOXMPXBK-XDTJVVMOSA-N 439.556 3.907 0 40 IHAB CC[C@H](C)NC(=O)CCc1c(C)nc2cc([C@H]3CCN(C(=O)C(C)(C)C)C3)nn2c1C 257332974 XZMPCKSUZKRJFF-YJBOKZPZSA-N 427.593 3.555 0 40 IHAB COc1cc(Cl)cc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(=O)CCO)c1OC 257340273 ZFHHKLAFEFBSMP-LPFAAMOHSA-N 437.964 3.738 0 40 IHAB CCOc1ccc(-c2cc(C(=O)N3[C@@H]4CN(C(C)=O)[C@@H]5CCCC[C@H]3[C@]5(C)C4)[nH]n2)cc1 257341910 ZMKBBLWPXIXDNC-IYSVFYNNSA-N 436.556 3.870 0 40 IHAB CC[C@H](NC(=O)[C@H](CC)N(c1cccc(OC)c1)S(C)(=O)=O)c1ccc(OC)c(C)c1 260762208 GXLFVAXGAZANIM-SFTDATJTSA-N 448.585 3.824 0 40 IHAB CCOc1ccc(N([C@H](CC)C(=O)NC(C)(C)Cc2ccccc2)S(C)(=O)=O)cc1 260795923 NAHRLZROQRKIDC-OAQYLSRUSA-N 432.586 3.767 0 40 IHAB Cc1c(N(Cc2c(Cl)cccc2Cl)S(C)(=O)=O)c(=O)n(-c2ccccc2)n1C 408682581 ZMLKZPIOIXNOJL-UHFFFAOYSA-N 440.352 3.757 0 40 IHAB CCN1C(=O)N/C(=C/c2ccc(OCc3ccccc3)c(I)c2)C1=O 409172202 CXEIYLCQOPWHHJ-LFIBNONCSA-N 448.260 3.783 0 40 IHAB CCc1cccc(C)c1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)c(C)c2)C1 409375085 FHUPMSPNDREBDG-IBGZPJMESA-N 430.570 3.914 0 40 IHAB CNC(=O)[C@@H]1CCCN(C(=O)c2cc(-c3cccc(C(F)(F)F)c3)nc3onc(C)c23)C1 523138576 ZTKDNDKENHJMHE-CQSZACIVSA-N 446.429 3.815 0 40 IHAB Cn1cc([C@H]2CN(C(=O)CC3CCN(C(=O)OC(C)(C)C)CC3)Cc3ccccc32)cn1 585406107 AVXIRIODQANZFS-JOCHJYFZSA-N 438.572 3.931 0 40 IHAB CCN1CCN(Cc2ccccc2C(=O)O)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O 1848354130 MFLQTTHYBKCJDK-HSZRJFAPSA-N 443.547 3.970 0 40 IHAB CC(=O)N1CC[C@H]2CC[C@@H](CN(CC3CCCCC3)Cc3ccccc31)N2S(C)(=O)=O 2037949657 LUIJSRWLSPFSDJ-PKTZIBPZSA-N 447.645 3.618 0 40 IHAB COc1ccc(NC(=S)N(CCN(C)C)Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1 880646 GLHFBLKKTKDVOI-UHFFFAOYSA-N 438.597 3.914 0 40 IHAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)COC(=O)[C@@H](O)c1ccccc1 2638018 GRLKGTKNNKHIHU-FQEVSTJZSA-N 439.489 3.807 0 40 IHAB CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C(F)(F)F)C2)c(Br)c1 32770632 UGEGDTRPYXJXLH-NSHDSACASA-N 444.269 3.589 0 40 IHAB COc1ccc(C)cc1NC(=O)[C@@H](NC[C@@H](C(C)C)N1CCOCC1)c1ccccc1 32900793 PVXBBZABLPWDGG-UPVQGACJSA-N 425.573 3.630 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(OCC(F)(F)F)cc2)s1 32909629 AUANKPDQOMTSDM-OAHLLOKOSA-N 448.488 3.789 0 40 IHAB COc1ccc(C(=O)NC(=S)Nc2cc(NC(=O)c3ccco3)ccc2C)c(OC)c1 57313967 MOHNNLQYQUFQTO-UHFFFAOYSA-N 439.493 3.984 0 40 IHAB Cc1cccc(N2CCN(C(=O)[C@@H](NC(=O)c3c(F)cccc3F)C(C)C)CC2)c1C 8826331 LJFPSEZISBFCNN-QFIPXVFZSA-N 429.511 3.685 0 40 IHAB CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]2[C@H]2C=Cc3ccc4cccnc4c3N12 103460890 NSYYOCZKQDTUGG-IIMDRIAPSA-N 431.536 3.834 0 40 IHAB O=C(Nc1ccc(N2CCOCC2)cc1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 9587412 YJQQJPQSGQWZOA-SFHVURJKSA-N 427.932 3.668 0 40 IHAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CN1C(=O)C(=O)c3ccccc31)CC2 23956460 AJJTURIEULPZSM-DEOSSOPVSA-N 428.488 3.838 0 40 IHAB CC(C)CNC(=O)C1CCN(CC(=O)Nc2ccc(Br)cc2Cl)CC1 24865484 PPQPYHBIOBFEGG-UHFFFAOYSA-N 430.774 3.525 0 40 IHAB CCOCCCn1c(SCC(=O)NCc2ccccc2Cl)nc2ccccc2c1=O 2973349 DQIWSOVEYFDYJM-UHFFFAOYSA-N 445.972 3.885 0 40 IHAB CCOc1ccc2c(c1)c(=O)c(C(=O)N1CCN(c3cc(Cl)ccc3C)CC1)cn2C 22237322 USKKZBMTKSJMMI-UHFFFAOYSA-N 439.943 3.861 0 40 IHAB COc1cccc(COC(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)c1OC 24991684 ZTRZKGFEVDAYHH-INIZCTEOSA-N 433.526 3.624 0 40 IHAB O=c1[nH]c(CNc2ccc(Br)cc2)nn1Cc1ccc(OC(F)(F)F)cc1 61718793 AUUZIRJXKIVRQJ-UHFFFAOYSA-N 443.223 3.893 0 40 IHAB Cc1cccc(N2C[C@@H](C(=O)Oc3cccc(N4C(=O)[C@H]5CCCC[C@H]5C4=O)c3)CC2=O)c1 100398967 XXXPCPUOTCUUOK-BULFRSBZSA-N 446.503 3.633 0 40 IHAB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1cncn1-c1ccccc1 12507502 OOEJVMAYPAKACQ-UHFFFAOYSA-N 427.302 3.654 0 40 IHAB Cc1ccn2cc(-c3ccc(NC(=O)CCc4c(C)nc5ncnn5c4C)cc3)nc2c1 12547396 UHJBQRPULLTUCJ-UHFFFAOYSA-N 425.496 3.936 0 40 IHAB O=C(Nc1ccc(I)cc1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 25494276 OZHVEMWBCUEIKC-INIZCTEOSA-N 436.249 3.661 0 40 IHAB CCc1cccc(-n2c(SCC(=O)c3cc(C)[nH]c3C)nnc2N2CCOCC2)c1 12548898 ALFOXMFLUMSHHF-UHFFFAOYSA-N 425.558 3.586 0 40 IHAB CC(C)NS(=O)(=O)c1cccc(C(=O)N(C)Cc2ccccc2N2CCCCC2)c1 12565088 DZLYNHNFKFUYTN-UHFFFAOYSA-N 429.586 3.636 0 40 IHAB CCN(Cc1ccccc1)C(=O)Cn1c(=O)n(-c2cc(C)cc(C)c2)c(=O)c2sccc21 57492176 HLPJMLDZJSCEDR-UHFFFAOYSA-N 447.560 3.879 0 40 IHAB C[C@]1(NC(=O)/C=C/c2ccc(-c3ccc(Br)cc3)s2)CCS(=O)(=O)C1 26985716 GXMXUTSVFGFOJS-KOEDOTQGSA-N 440.384 3.884 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CCSCc1ccccc1 20483212 UOZOHZGPUIGWAT-UHFFFAOYSA-N 434.583 3.742 0 40 IHAB COc1ccc(-c2nc([C@H]3CC[C@H](CNC(=O)c4ccccc4)CC3)[nH]c2C(N)=O)cc1 100687884 NPGHIQVOTUXFES-MAEOIBBWSA-N 432.524 3.888 0 40 IHAB CCOc1ccc(N(CC(=O)NC(C)(C)C)S(=O)(=O)c2ccc(SC)cc2)cc1 2064962 UQCMCEFDSSMQGI-UHFFFAOYSA-N 436.599 3.917 0 40 IHAB CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)c1ccc(S(N)(=O)=O)cc1 12678642 FCKHOOUVZPNUSM-UHFFFAOYSA-N 449.326 3.629 0 40 IHAB COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)[C@@]2(C)CC2(Cl)Cl)c1 22196793 LMVLVPYYLUXEMS-QGZVFWFLSA-N 445.324 3.724 0 40 IHAB CCCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12 2106217 JCUJHHAQRQYQRF-FQEVSTJZSA-N 437.492 3.635 0 40 IHAB biogenic CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3F)C2)cc1Cl 408635965 LJCLKESSTZBMQD-AWEZNQCLSA-N 440.924 3.917 0 40 IHAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc2c(c1)NC(=O)CS2 3333527 GCMZLAFJSSDEIC-UHFFFAOYSA-N 437.443 3.850 0 40 IHAB COc1cc(OC)c(NC(=O)c2ccc(Cn3cnc4ccccc4c3=O)o2)cc1Cl 36360514 VCQOATPSVUYFCC-UHFFFAOYSA-N 439.855 3.961 0 40 IHAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)/N=c3/sc4ccccc4n3C)c2)C1 3353503 VCYFNNSPRMNOPI-PDNLVMNCSA-N 443.594 3.648 0 40 IHAB CCN(C(=O)[C@H](C)Nc1ccc2c(c1)c1ccccc1n2CC)[C@@H]1CCS(=O)(=O)C1 28908487 UWKBFDCBTKRPJV-FUHWJXTLSA-N 427.570 3.650 0 40 IHAB Cc1ccccc1OCCN(C)C(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3 12948836 SYJNOVAPEZHEAE-UHFFFAOYSA-N 425.554 3.952 0 40 IHAB CCn1c(SCC(=O)Nc2nc(C)c(C)s2)nnc1[C@@H](C)NC(=O)c1ccccc1 9302375 FHCMGEUNLRMVED-CYBMUJFWSA-N 444.586 3.593 0 40 IHAB COC(=O)/C=c1\sc2n(c1=O)[C@H](c1ccccc1)C1=C(N=2)/C(=C/c2ccccc2)CCC1 13759301 VEAGHSKLQIKKMD-PBEDISBOSA-N 442.540 3.608 0 40 IHAB COc1ccc(-c2cc(C(=O)N3CCN(c4ncccn4)CC3)c3ccccc3n2)cc1 9390545 UELVMDXINLCNCI-UHFFFAOYSA-N 425.492 3.663 0 40 IHAB COc1ccc(C)cc1N(CC(=O)NCc1ccc(F)cc1)S(=O)(=O)c1ccccc1 20493316 ROVTZXSXTRYGES-UHFFFAOYSA-N 442.512 3.654 0 40 IHAB O=C(Nc1nc(-c2ccc(F)cc2)cs1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 8861729 BICQLRQIBCPQQH-AWEZNQCLSA-N 439.468 3.712 0 40 IHAB Cc1ccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(CCc3ccccc3)c(=O)n2C)cc1C 8969079 YEOQIIULOSKCDF-QGZVFWFLSA-N 443.551 3.544 0 40 IHAB COc1cc(CN2CCC(C(=O)NC[C@H]3CCCO3)CC2)ccc1OCc1ccccc1 6906974 VXIUYMIGNBAROM-HSZRJFAPSA-N 438.568 3.781 0 40 IHAB CC[C@H](C)n1c(SCC(=O)Nc2ccc(NC(C)=O)cc2)nc2cc(C)[nH]c2c1=O 67239179 LGAFTNQROQLFHN-ZDUSSCGKSA-N 427.530 3.693 0 40 IHAB O=C(CSc1nnc(-c2ccccc2F)n1C1CC1)N1CCN(c2ccccc2)CC1 9111768 FTKPNKKEQQCCFA-UHFFFAOYSA-N 437.544 3.860 0 40 IHAB CC[C@@H](C)NC(=O)CSC1=N/C(=C/c2ccc(OC)cc2)C(=O)N1Cc1ccco1 16097463 DKZSCZZLERAGOG-IYSPOMMRSA-N 427.526 3.675 0 40 IHAB CCOc1ccc(NC(=O)C2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(C)cc4)C3)CC2)cc1 9191036 ZQBRGQHCSPFSKN-HXUWFJFHSA-N 449.551 3.624 0 40 IHAB O=C(COc1ccc(Cl)cc1Cl)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 9424733 BDHBDQLPTJCKKN-ZDUSSCGKSA-N 434.366 3.650 0 40 IHAB O=C(NCCCn1cnc2ccccc21)c1ccccc1NS(=O)(=O)c1cccs1 9203784 VBUFGMNEKIOMOJ-UHFFFAOYSA-N 440.550 3.719 0 40 IHAB COc1cccc(-n2c(=O)c3ccccc3n3c(SCC(=O)c4ccco4)nnc23)c1 9222628 ZPEQBQBEFROYOV-UHFFFAOYSA-N 432.461 3.610 0 40 IHAB O=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)C1(c2ccccc2)CCCC1 9469197 OCJYBOCXVOLDRV-UHFFFAOYSA-N 435.568 3.810 0 40 IHAB CC1(C)Cc2c(c(N3CCOCC3)nc3sc4c(N5CCCC5)ncnc4c23)CO1 19972660 XYPZWRISHPWVPR-UHFFFAOYSA-N 425.558 3.528 0 40 IHAB COc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1S(=O)(=O)NC(C)C 9668034 QVXFRKXWDTYGIL-UHFFFAOYSA-N 438.549 3.901 0 40 IHAB CCCc1cc(=O)oc2cc(OCC(=O)N[C@H](C)c3nnc4ccccn34)c(Cl)cc12 95479222 FABCDNXQSZWGJE-CYBMUJFWSA-N 440.887 3.698 0 40 IHAB CCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2c(C)cccc2C)cc1 408666229 XPRQRRUQCTUQGV-UHFFFAOYSA-N 440.496 3.771 0 40 IHAB O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)[C@H]1CC(=O)N(CCOc2ccccc2)C1 30952697 ZJPAKCQSTMMHSY-SFHVURJKSA-N 436.508 3.984 0 40 IHAB O=C(CSc1nnc(C2CCCCC2)n1-n1cccc1)Nc1cccc(C(=O)O)c1 32611964 UGLLJTQNJJLGGZ-UHFFFAOYSA-N 425.514 3.868 0 40 IHAB O=C(NC(=S)Nc1nc2ccc(N3CCOCC3)cc2s1)c1ccc(Cl)cc1 32127735 UPXOZKBTLZKIKE-UHFFFAOYSA-N 432.958 3.913 0 40 IHAB COc1ccc(OC)c(NS(=O)(=O)c2ccc(C)c(C(=O)NC3CCCCC3)c2)c1 408555113 DPIQLXIYGLXUES-UHFFFAOYSA-N 432.542 3.876 0 40 IHAB CCOc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CCCC3)cc1Cl 32115790 RRQZGXVAFJYKKY-UHFFFAOYSA-N 437.974 3.905 0 40 IHAB CC(C)NC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CN(C(=O)C2CCCC2)CCO1 72389190 UZPVMQGHXDUDTK-AREMUKBSSA-N 435.568 3.604 0 40 IHAB Cc1nc(C2CCN(C(=O)CC[C@@H]3CCCO3)CC2)nc2c1CCC(=O)N2C1CCCC1 72371167 LMBJFYIHOURYIK-FQEVSTJZSA-N 440.588 3.672 0 40 IHAB COc1ccc2cc([C@@H]3c4cc(OC)c(OC)cc4CCN3C(=O)C(C)C)c(=O)[nH]c2c1 35313750 OLFLXJIASNWDTG-QHCPKHFHSA-N 436.508 3.684 0 40 IHAB O=C(O)[C@@H]1CC(=O)N(c2ccc3nc(-c4ccc(I)cc4)oc3c2)C1 70461345 QMMBGIALWQSAFU-LLVKDONJSA-N 448.216 3.537 0 40 IHAB O=C(NCc1nc(-c2cccc(Br)c2)no1)c1ccc(N2CCCC2=O)cc1 219206600 JQYUBQYDXQWMSV-UHFFFAOYSA-N 441.285 3.556 0 40 IHAB CCOc1ccccc1CNS(=O)(=O)c1ccc(SC)c(C(=O)N2CCCC2)c1 223853904 VWALOSDOJTYJSM-UHFFFAOYSA-N 434.583 3.522 0 40 IHAB Cc1ccc(OCCNC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3C)c2)cc1 224126142 MXQDAXGLALWLCB-UHFFFAOYSA-N 438.549 3.937 0 40 IHAB COCCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3ccc(C)c(C)c3)c2c1=O 48988053 OKYLUSFRFUCNOC-UHFFFAOYSA-N 430.508 3.767 0 40 IHAB C[C@@H]1CCCCN1c1cc(Sc2ncccn2)nc(NC(=S)NCc2ccco2)n1 225912623 PUPOPBRRXCNDGF-CQSZACIVSA-N 441.586 3.876 0 40 IHAB COCc1cccc(NC(=O)CCCN(c2cccc(OC(C)C)c2)S(C)(=O)=O)c1 224910428 ZVUJMTSNQVGIMQ-UHFFFAOYSA-N 434.558 3.805 0 40 IHAB Cc1ccc(C)c(OCCNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)c1 223991501 JYFULRMXKUOMAP-UHFFFAOYSA-N 445.368 3.571 0 40 IHAB CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCCOc1ccc(OC)cc1 225061259 CDCDVCOEEMBUHX-HXUWFJFHSA-N 426.557 3.840 0 40 IHAB CC[C@@H](NC(=O)[C@H](C)N(c1cc(OC)ccc1OC)S(C)(=O)=O)c1ccc(C)c(C)c1 220223446 BHTZKCMLFQTTGR-FXAWDEMLSA-N 448.585 3.743 0 40 IHAB O=C(Nc1ccc(N2CCCCC2)cc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 224964386 BGCSOUJJRPRCEF-UHFFFAOYSA-N 441.597 3.857 0 40 IHAB CCOC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224621649 XVJNLNCIOPUDII-UHFFFAOYSA-N 436.288 3.900 0 40 IHAB CS(=O)(=O)N(CCCC(=O)N1CCC(Cc2ccccc2)CC1)c1ccccc1F 222653644 KGVZRCXIWRPOHL-UHFFFAOYSA-N 432.561 3.853 0 40 IHAB O=C(CSCc1ccc(Br)cc1)NCc1cccc(CN2CCOCC2)c1 224707898 YIQQGWGSKPXOGJ-UHFFFAOYSA-N 449.414 3.831 0 40 IHAB CCc1ccc(N([C@@H](C)C(=O)NCCOc2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 224174542 IQTDRIWXNYAMOJ-INIZCTEOSA-N 438.977 3.561 0 40 IHAB CCc1ccc(N(CCCC(=O)NCCOc2cc(C)cc(C)c2)S(C)(=O)=O)cc1 224104207 DRTLOMUWNIVHOC-UHFFFAOYSA-N 432.586 3.607 0 40 IHAB Cc1cccc(C)c1N(Cc1ccc(C(=O)NCCCOC(C)C)cc1)S(C)(=O)=O 223305268 MXXASFPGDGRZSK-UHFFFAOYSA-N 432.586 3.815 0 40 IHAB COc1ccc([C@H]2C[C@@H](NC(=O)C3[C@@H]4CCCC[C@@H]34)CC[C@]23CCC(=O)N3)cc1OC 257202361 ALKUGHVWUPYJMH-DQWOOCKHSA-N 426.557 3.541 0 40 IHAB O=C(Cc1cccc(C(F)(F)F)c1)N1CC[C@H](c2ccccc2F)S(=O)(=O)CC1 390830020 IEZWJXDQVVSUHW-GOSISDBHSA-N 429.435 3.775 0 40 IHAB CC(C)CS(=O)(=O)C1CCN(S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)CC1 96374780 JPIMKQQJTZKJAM-UHFFFAOYSA-N 439.574 3.717 0 40 IHAB COC(=O)c1cnc(Nc2cc(C)nc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)s1 585262489 BFLWRFGUACITFM-UHFFFAOYSA-N 433.534 3.886 0 40 IHAB Cc1ccc2ncc(CN3CCC4(CC3)CC(NC(=O)c3nnsc3C(C)C)C4)n2c1 585103881 SVSHFAYJDBANCT-UHFFFAOYSA-N 438.601 3.792 0 40 IHAB CCN1CCN(C(=O)c2cnc(C)nc2C)[C@@H](Cc2cccc(-c3ccccc3)c2)C1=O 72351804 RZGFUZBBVLQFAS-DEOSSOPVSA-N 428.536 3.676 0 40 IHAB Cc1nc(C(F)(F)F)ccc1C(=O)N1CCC2(CC1)CC(=O)N(Cc1ccccc1)O2 1549162908 WWNGZPGRKPEXEN-UHFFFAOYSA-N 433.430 3.748 0 40 IHAB CCN(CC)C(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1Br 2286733 ZAUHNKQCCIQWIB-BOPFTXTBSA-N 445.313 3.817 0 40 IHAB COc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)c2csnn2)c2ccccc2F)cc1 12869867 SYOLUWMSZTXSQJ-LJQANCHMSA-N 442.516 3.989 0 40 IHAB CCN(c1ccc2sc(C(N)=O)cc2c1)S(=O)(=O)c1ccc(Br)cc1 13584562 KTNHNOQXIZNVOH-UHFFFAOYSA-N 439.356 3.978 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCc3ccccc32)c2ccccc2)cc1 13668992 YZFSDQVLOAAHPI-UHFFFAOYSA-N 436.533 3.870 0 40 IHAB CCOC(=O)c1ccc(C)c(NC(=O)[C@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)c1 13671644 FELKLYFCGPKZCZ-KRWDZBQOSA-N 432.542 3.582 0 40 IHAB COc1ccc(NC(=O)CCC(=O)c2ccc(F)cc2)cc1S(=O)(=O)N1CCCCC1 15898245 IHCRRVJYEBFHFL-UHFFFAOYSA-N 448.516 3.611 0 40 IHAB O=C(CN1Cc2ccccc2C1)N1CCC[C@@H]1c1nnc(-c2nccc3ccccc23)o1 19376446 ISASBZOITLHRPC-OAQYLSRUSA-N 425.492 3.964 0 40 IHAB CNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CN(C[C@@H](C)c2ccccc2)CCO1 19456207 WHFVWYAFFYCGAW-JIPXPUAJSA-N 429.564 3.912 0 40 IHAB C[C@H](NC(=O)CN1N=C(c2ccccc2)Cn2c(cc3ccccc32)C1=O)c1ccncc1 19459745 DTKVKGZWRJMGGH-SFHVURJKSA-N 437.503 3.774 0 40 IHAB COc1ccc2c(CN3CCO[C@@H](c4ccc(-c5ccc(N)nc5)cn4)C3)cn(C)c2c1 19693648 CNVUALKBEWNULE-XMMPIXPASA-N 429.524 3.800 0 40 IHAB NC(=O)c1[nH]c(C2CCN(C(=O)c3cccc4cccnc34)CC2)nc1-c1ccccc1 19698882 DYZVDEOTAFTEAZ-UHFFFAOYSA-N 425.492 3.744 0 40 IHAB COc1cccc(CNC(=O)c2cnc([C@@H]3CCN(C(=O)CC4CCCC4)C3)nc2C)c1 19758250 LAONRTOZUIVMHH-HXUWFJFHSA-N 436.556 3.620 0 40 IHAB CCN1CCCCCCCCO[C@@H]2CN(C(=O)CCOC)C[C@H]2Oc2ccccc2C1=O 643582345 TZMBQZDSFIVCSH-DHIUTWEWSA-N 446.588 3.514 0 40 IHAB O=C(c1cscn1)N1CCC2(CCCCCc3ccccc3OCCNC2=O)CC1 643571721 RLDPEZFTDNCFOD-UHFFFAOYSA-N 427.570 3.677 0 40 IHAB Cc1ccc(-n2nc(C)cc2NC(=O)CSc2nnc(Cc3csc(C)n3)o2)cc1 13040921 IXKBAJHGQPIOJA-UHFFFAOYSA-N 440.554 3.959 0 40 IHAB CCS(=O)(=O)c1ccc(O)c(NC(=O)CSc2ccc(Br)cc2)c1 28813224 QVVIRZFRUKZYLA-UHFFFAOYSA-N 430.345 3.679 0 40 IHAB COc1cc(OC)c(C2=CCN([C@H](C)C(=O)NCc3ccc(F)cc3)CC2)c(OC)c1 29802042 ZWRZSXBWXIFTKA-MRXNPFEDSA-N 428.504 3.646 0 40 IHAB COc1ccc(CCNC(=O)Cn2cc(S(=O)(=O)c3ccccc3)c3ccccc32)cc1 8865158 XKZJCQYNKHLPFH-UHFFFAOYSA-N 448.544 3.842 0 40 IHAB CC(=O)c1sc(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)nc1C 9367538 GSSBGEPJBVKLJJ-CHWSQXEVSA-N 435.571 3.573 0 40 IHAB Nc1cc(=O)nc(SCC(=O)N2CCCc3ccccc32)n1-c1ccc(Cl)cc1 9518805 XLNLYFPVPPWICN-UHFFFAOYSA-N 426.929 3.540 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3S(=O)(=O)c2ccccc2)s1 17121703 GMXCLBPZHODRKD-UHFFFAOYSA-N 448.591 3.999 0 40 IHAB CN(C(=O)CN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)C1CCCCC1 20215776 RXNYULYWGUQDGG-XIGIHCPSSA-N 428.532 3.670 0 40 IHAB CC(=O)Nc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4F)C(=O)[C@H]3ON2c2ccccc2)cc1 101180472 IZFKBBWLZQVYJB-ZRBLBEILSA-N 445.450 3.835 0 40 IHAB CCOc1ccc2[nH]c(=O)c(CN(C(=S)NC[C@@H]3CCCO3)C3CCCC3)cc2c1 879537 XZKSRGZSXLGOFN-FQEVSTJZSA-N 429.586 3.725 0 40 IHAB CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)Nc1cc(OC)ccc1OC 907681 BUMXXMIUEFTXJM-UHFFFAOYSA-N 441.557 3.967 0 40 IHAB O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 1401313 VUWLAAFWMJSVRV-INIZCTEOSA-N 443.750 3.894 0 40 IHAB O=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 1401345 FDFUDPAWFUAXDH-INIZCTEOSA-N 432.395 3.516 0 40 IHAB Cc1c(C(=O)OCC(C)C)sc2ncn([C@@H](C)C(=O)Nc3ccc(F)cc3)c(=O)c12 1980631 OAKQNJJJJLTJET-ZDUSSCGKSA-N 431.489 3.918 0 40 IHAB Cc1cc(OCC(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)O)c2c(C)c(C)c(=O)oc2c1 2113023 FJNDITZORJKZER-QGZVFWFLSA-N 443.883 3.563 0 40 IHAB biogenic CCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc(OCC)c(OC)c2)C1=O 2119944 SOZPWJVLFFYVJS-NBGIEHNGSA-N 447.535 3.670 0 40 IHAB biogenic CC1(C)Cc2c(c(-c3ccco3)nc3sc4c(NCCOCCO)ncnc4c23)CO1 2414143 VWRKXZJQMQDIMX-UHFFFAOYSA-N 440.525 3.772 0 40 IHAB COc1ccccc1NC(=O)CCCc1nc(-c2cc(OC)c(OC)c(OC)c2)no1 2431216 QAGZRKVUDCZIPY-UHFFFAOYSA-N 427.457 3.732 0 40 IHAB Cc1c(Br)c(C(F)(F)F)nn1[C@@H](C)C(=O)NC1CCN(C(C)C)CC1 2780634 RYAHHFMMJPIXOY-NSHDSACASA-N 425.293 3.523 0 40 IHAB O=C(CC[C@H]1N=C2c3ccccc3NC(=S)N2C1=O)N1CCC(Cc2ccccc2)CC1 2965573 BXJOEYHUCFSBKF-OAQYLSRUSA-N 446.576 3.616 0 40 IHAB O=C(COC(=O)/C=C/c1ccc2c(c1)OCO2)Nc1ncc(C(F)(F)F)cc1Cl 3300259 SXJDERYJQXPYPZ-DUXPYHPUSA-N 428.750 3.678 0 40 IHAB Cc1c(NC(=O)[C@@H](C)Oc2ccc(Br)cc2)c(=O)n(-c2ccccc2)n1C 3417936 IYZCNDKUSPZJBJ-CQSZACIVSA-N 430.302 3.653 0 40 IHAB Cc1occc1-c1nnc(SCC(=O)N2CC(=O)Nc3ccccc32)n1CC(C)C 4383580 JRUYWFGMIRSSEK-UHFFFAOYSA-N 425.514 3.580 0 40 IHAB COc1cc(CC(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)cc(OC)c1OC 8130844 HZCPIUOOPBSSBU-QHCPKHFHSA-N 429.513 3.930 0 40 IHAB C[C@@H](C(=O)N1c2ccccc2NC(=O)C1(C)C)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 8944170 HINGKRMEOHQUMK-QFBILLFUSA-N 435.524 3.747 0 40 IHAB CCc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 9055725 URJJPELVTPWXGN-UHFFFAOYSA-N 428.444 3.845 0 40 IHAB Cc1ccc([C@@]2(c3ccccc3)NC(=O)N(CC(=O)NC3CCCCCC3)C2=O)cc1C 9125026 ZPVDOYCABPACGO-AREMUKBSSA-N 433.552 3.938 0 40 IHAB CCCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nc2sc(CC)cc2c1=O 9128024 QEOXOADBUYUPPS-UHFFFAOYSA-N 445.566 3.932 0 40 IHAB CC1CCN(C(=O)CSc2nnc3c4cc(Br)ccc4n(C)c3n2)CC1 9236048 ILZVCCSTDMIVTG-UHFFFAOYSA-N 434.363 3.630 0 40 IHAB CN(C1CCCCC1)S(=O)(=O)c1ccc(SCc2nnc(-c3ccco3)o2)nc1 9470699 UGZSUVDOASZTDC-UHFFFAOYSA-N 434.543 3.970 0 40 IHAB COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CCOc3ccc(C)cc3)C2=O)cc1 9496920 GDAWXOBSKLWEGY-UHFFFAOYSA-N 446.503 3.887 0 40 IHAB COc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 9498038 AOZPETHWAAQRAF-UHFFFAOYSA-N 427.865 3.978 0 40 IHAB COc1cccc(NC(=O)c2ccccc2N(C)C(=O)CCC(=O)Nc2cccnc2)c1 9580886 QTTRJTSFMDPLST-UHFFFAOYSA-N 432.480 3.724 0 40 IHAB CSc1ncc(C(=O)Nc2ccccc2N2CCN(C)CC2)n1-c1ccc(F)cc1 9647235 LDJRWTSZGCOEKP-UHFFFAOYSA-N 425.533 3.737 0 40 IHAB Cc1ccc(Cn2c(=O)c3ccccc3n3c(CCC(=O)Nc4ccccc4)nnc23)cc1 9831388 AQGYWYMCZQMGHY-UHFFFAOYSA-N 437.503 3.972 0 40 IHAB O=C(CCCN1C(=O)NC2(CCCC2)C1=O)N1CCC[C@H](c2nc3ccccc3s2)C1 9951153 PGGQIYZGQKESHS-INIZCTEOSA-N 440.569 3.647 0 40 IHAB COc1ccc(S(=O)(=O)CCC(=O)Nc2nc3c(s2)COc2ccccc2-3)cc1 10029449 IGDIEEKFQNCSAG-UHFFFAOYSA-N 430.507 3.514 0 40 IHAB COc1cc(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)cc(Cl)c1OCC(N)=O 10577312 GRCHWBWNZBKPBH-UHFFFAOYSA-N 446.887 3.897 0 40 IHAB O=C(Cn1c(COc2ccccc2)nc2ccccc21)N1CCN(c2ccccc2)CC1 11764105 YORHFXATMMVEJZ-UHFFFAOYSA-N 426.520 3.964 0 40 IHAB Cc1ccc2c(=O)cc(C(=O)Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)oc2c1 12111565 PTROTFDRHVQJDL-UHFFFAOYSA-N 440.521 3.774 0 40 IHAB Cc1ccc(/C=C/S(=O)(=O)N2CCN(c3ccc(-c4cccs4)nn3)CC2)cc1 12443597 IBRQJIJMWHNHTG-MHWRWJLKSA-N 426.567 3.636 0 40 IHAB O=C(CSc1nc2ccccc2s1)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 12537684 XQVRVIWSGPWXHP-INIZCTEOSA-N 432.592 3.604 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC[C@H](c3ccco3)N(C)C)c2)cc1F 12630385 UBBLZYMVLDDEGJ-HXUWFJFHSA-N 445.516 3.561 0 40 IHAB O=C(COc1cc(Cl)ccc1Cl)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O 12755022 LKCGFCROGLHHCG-UHFFFAOYSA-N 445.324 3.501 0 40 IHAB O=C(c1ccc(-c2ccccc2F)o1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 12870027 ZKHZABQLTZPGRH-UHFFFAOYSA-N 448.903 3.886 0 40 IHAB CCCOc1ccc([C@H](C)NC(=O)Cn2nc(O)c3ccccc3c2=O)cc1OCCC 12885503 JFNALCMGRDIPJD-INIZCTEOSA-N 439.512 3.557 0 40 IHAB 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CN(C)C(=O)Cc1nc(CSc2nnc(N3CCCCC3)n2-c2ccccc2)cs1 32832026 GYLMMRVEDABAMS-UHFFFAOYSA-N 442.614 3.637 0 40 IHAB CC[C@@H](OC(=O)CCc1nc2ccccc2c(=O)n1C1CC1)C(=O)Nc1ccc(F)cc1 32848739 HMBLGGAWPXCZOU-HXUWFJFHSA-N 437.471 3.764 0 40 IHAB Cc1ccc(-c2cc(C(=O)N3CCc4ccccc43)nn2[C@@H]2CCS(=O)(=O)C2)cc1C 33325808 NGOZJQLNMQBZHA-HXUWFJFHSA-N 435.549 3.729 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CSc2nc3c(c(C(F)(F)F)n2)CCC3)cc1 35376224 FPKIRYVAUYQCGG-UHFFFAOYSA-N 425.432 3.892 0 40 IHAB CC1(C)C[C@H]2C[C@](C)(CN2[C@H](C(=O)O)c2c[nH]c3ccc(NC(=O)/C=C/C(=O)O)cc23)C1 36358524 VZCFUIKILGYNGM-WBQBKQTDSA-N 439.512 3.774 0 40 IHAB O=C(Cn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2sccc21)Nc1ccc(F)cc1F 57491843 OMJBANMAHLZFLS-UHFFFAOYSA-N 447.850 3.784 0 40 IHAB CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)Nc2ccc(C(=O)NC)cc2C)CC1 58357006 GZGLZCSNNLQDKQ-QGZVFWFLSA-N 441.551 3.518 0 40 IHAB COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCN(c2cc(C)ccc2C)CC1 61943401 MLZSCKOMYDVMDW-UHFFFAOYSA-N 434.540 3.640 0 40 IHAB O=S(=O)(c1cccc(COc2ccccc2)c1)N1CCN(c2ccccc2F)CC1 72264769 HEDOMPZCXDOSHR-UHFFFAOYSA-N 426.513 3.916 0 40 IHAB CC(C)CCc1nc(CN2C(=O)NC3(CCN(C(=O)OC(C)(C)C)CC3)C2=O)cs1 72295910 VTOAWZLSLPWLSM-UHFFFAOYSA-N 436.578 3.553 0 40 IHAB O=C(CCCOc1cccc(F)c1)N1CCC([C@@H]2C[C@H](C(F)F)n3ncnc3N2)CC1 72395696 LHCVCQJDOCHIFF-ZWKOTPCHSA-N 437.466 3.505 0 40 IHAB COc1ccc(NC(=O)[C@H]2CCCN(c3ccc(-c4nc(C)no4)cn3)C2)cc1Cl 77200425 MBVOGEAQRRRFEE-HNNXBMFYSA-N 427.892 3.957 0 40 IHAB Cn1cccc1[C@H]1CCCCN1C(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 78972256 DLVMYXCWUFDJNZ-OAQYLSRUSA-N 448.548 3.954 0 40 IHAB CCCCOCCCNC(=O)[C@H]1c2ccccc2C(=O)N(CCOC)C12CCCCC2 79493974 LHIKAKHRULWTDI-JOCHJYFZSA-N 430.589 3.898 0 40 IHAB O=C(O)C[C@@H](NC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(Cl)c(F)c1 95464057 OOECYMGIBKQSPK-OAHLLOKOSA-N 446.784 3.560 0 40 IHAB Cc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@H]3c4ccccc4C=NN32)cc1 100689637 MZGVLPUBHKJFOJ-CJRSTVEYSA-N 435.483 3.757 0 40 IHAB COc1ccccc1NC(=O)C(=O)[C@H](C(=O)c1ccccc1F)[C@H]1OC(=O)c2ccccc21 102967256 BWLOABWQSKIOGH-REWPJTCUSA-N 447.418 3.753 0 40 IHAB CCOc1ccccc1N(CC(=O)Nc1ccccc1OC)S(=O)(=O)c1ccccc1 164414063 CHDGAKHFYGLBMU-UHFFFAOYSA-N 440.521 3.928 0 40 IHAB Cc1cc(OCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)ccc1Br 218822219 UGLUZIINVZNDRX-UHFFFAOYSA-N 430.302 3.573 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCCCc1ccc(F)cc1)c1ccc(Cl)cc1 219634807 DRFDMWDJCUEEIU-UHFFFAOYSA-N 426.941 3.774 0 40 IHAB CCOC(=O)c1cccc(NC(=O)COc2ccc(I)cc2)c1C 219834367 LZFAEZSOZBNDRT-UHFFFAOYSA-N 439.249 3.794 0 40 IHAB C[C@H](C(=O)N1CCCc2ccccc21)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 220200035 RCPSUMOVXVWEJS-CQSZACIVSA-N 426.460 3.839 0 40 IHAB CC[C@@H](C(=O)N[C@H](CC)c1ccc(OC)cc1)N(c1cccc(OC)c1)S(C)(=O)=O 220632246 VOXREMJEYDARDF-RTWAWAEBSA-N 434.558 3.516 0 40 IHAB CC[C@@H](C(=O)Nc1cccc(OC)c1)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 220745467 JOQAAEISAOUDQR-KRWDZBQOSA-N 426.922 3.541 0 40 IHAB CCOc1ccc(N(CCCC(=O)Nc2cc(Cl)ccc2OC)S(C)(=O)=O)cc1 222618279 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XGBLFVHYMZTSBK-UHFFFAOYSA-N 447.175 3.688 0 40 IHAB CCOC(=O)c1cnc(SCC(=O)c2cc(C)n(Cc3cccs3)c2C)nc1N 3332315 CJRLBWKYMNNVKW-UHFFFAOYSA-N 430.555 3.739 0 40 IHAB Cc1cc(C(=O)CSc2nncs2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O 3413061 MGGIWMQPXVTQIB-UHFFFAOYSA-N 439.566 3.718 0 40 IHAB CCc1ccc(CN(C)CC(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2C)cc1 6637709 GOBOZOFYDOBGHT-UHFFFAOYSA-N 431.602 3.658 0 40 IHAB COc1ccc(-c2nnc3s/c(=C\c4cccc(Cl)c4Cl)c(=O)n23)cc1OC 9189178 XAAASKUDWYHPMT-DHDCSXOGSA-N 434.304 3.690 0 40 IHAB C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 9222778 CGIHSPGQWTWBNB-LBPRGKRZSA-N 438.899 3.928 0 40 IHAB O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)[C@@H]1CC(=O)N(c2ccccc2F)C1 9252785 PCKQZLGJAVOVNN-CYBMUJFWSA-N 425.441 3.670 0 40 IHAB CN(Cc1ccc2c(c1)OCCO2)C(=O)CSc1nnc(NCc2ccccc2)s1 9501479 LLNJMKVULOSXNQ-UHFFFAOYSA-N 442.566 3.672 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H]2CCCc3ccccc32)Cc2ccco2)cc1 9834486 NYULMHATRUEKOR-HSZRJFAPSA-N 438.549 3.973 0 40 IHAB O=C(COc1ccc2ccccc2c1)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 9870852 CVGQEOCLEDPIHS-UHFFFAOYSA-N 447.535 3.531 0 40 IHAB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1ccc(COc2ccccc2)o1 10701918 PNYOSMXRBPWNBS-UHFFFAOYSA-N 435.480 3.918 0 40 IHAB O=C(NCCc1ccc(Cl)cc1)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 12194971 YLCDEVIHVATOFW-UHFFFAOYSA-N 427.353 3.896 0 40 IHAB CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)N1CCN(c2ccccc2Cl)CC1 12556243 PALXPLGOONPYCK-SFHVURJKSA-N 442.991 3.510 0 40 IHAB Cc1ccccc1N1CCN(c2nc(CN3CCOCC3)nc3sc(C)c(C)c23)CC1 12561764 XHJDAQYRJWVYOF-UHFFFAOYSA-N 437.613 3.775 0 40 IHAB Cc1cccc(C(C)C)c1NC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)OCCCO2 12775455 OVUXFPHQIBTWQS-UHFFFAOYSA-N 432.542 3.539 0 40 IHAB CN(CC(=O)Nc1cccc(F)c1)S(=O)(=O)c1ccc(Br)cc1Cl 12853024 BVWPNEZTXBUPJZ-UHFFFAOYSA-N 435.702 3.501 0 40 IHAB CSCc1nnc(S[C@@H](C)C(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)o1 12882271 ZKRXAZLRMBDLLG-JTQLQIEISA-N 448.492 3.529 0 40 IHAB COc1ccc(-c2nc(C)c(C(=O)N(C)CC(=O)Nc3cccc(F)c3)s2)cc1OC 13000904 BAMYHCBXWJHEKW-UHFFFAOYSA-N 443.500 3.986 0 40 IHAB CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C2c3ccccc3Oc3ccccc32)C1=O 13114220 ILXKMEWPKVLLRJ-VWLOTQADSA-N 427.460 3.813 0 40 IHAB COc1cc([C@@H](c2sc3nc(C)nn3c2O)N2C[C@@H](C)C[C@@H](C)C2)cc(OC)c1OC 13143756 IAPCCGCKECZCOG-JCGVRSQUSA-N 446.573 3.898 0 40 IHAB COc1cccc([C@@H]2CC(=O)Nc3nc(SCc4cccc(C)c4)[nH]c(=O)c32)c1OC 13567265 UWENEYIAVKMJPP-INIZCTEOSA-N 437.521 3.862 0 40 IHAB COc1cccc([C@H]2CC(=O)Nc3nc(SCc4cccc(F)c4)[nH]c(=O)c32)c1OC 13567350 UBVNJTRWVWDBEG-OAHLLOKOSA-N 441.484 3.693 0 40 IHAB COc1ccc(S(=O)(=O)NCc2cc(OC)c(OC)c(OC)c2)c(Cl)c1Cl 13673572 CUTOAUNCVYLXSD-UHFFFAOYSA-N 436.313 3.506 0 40 IHAB CC1CCN(C(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(Cl)cc2)CC1 13880749 BJKGVZWSLAUSPW-UHFFFAOYSA-N 438.952 3.929 0 40 IHAB COc1ccc(C(=O)C2CCN(CC(=O)N(C)Cc3nc4ccccc4s3)CC2)cc1 14075857 ZTYQBOVWQBSQGQ-UHFFFAOYSA-N 437.565 3.858 0 40 IHAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N3CCN(c4ccccc4)CC3)c2)c1 15345859 GUBKVNKALVQHLZ-UHFFFAOYSA-N 435.549 3.758 0 40 IHAB CC(=O)c1sc(NC(=O)CCS(=O)(=O)c2ccc(F)cc2)nc1-c1ccccc1 16047966 BXKPKRGQRKIOBE-UHFFFAOYSA-N 432.498 3.954 0 40 IHAB CN(C)C(=O)[C@@H](OC(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccccc1 17481233 VPUDWZBAYCHJMV-DEOSSOPVSA-N 440.503 3.980 0 40 IHAB CCCCn1c(N)c(N(Cc2ccccc2)C(=O)c2cc3ccccc3s2)c(=O)[nH]c1=O 18119143 ZKPOJGNACYQWMT-UHFFFAOYSA-N 448.548 3.981 0 40 IHAB O=C(c1ccc(F)cc1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C1CCCCC1)CC2 19332051 ZYNWWGHOUGCCPE-JOCHJYFZSA-N 438.547 3.967 0 40 IHAB CCOc1ccc(CC(=O)N2CCC[C@H]2c2n[nH]cc2-c2ccnc(N3CCCC3)n2)cc1 19532886 YPHJKWZWBJVOOX-QFIPXVFZSA-N 446.555 3.772 0 40 IHAB CN(CC(=O)Nc1ccc(N2CCCC2)cc1)CC(=O)Nc1ccccc1Br 19533597 LKYJYPNFVRLCHB-UHFFFAOYSA-N 445.361 3.558 0 40 IHAB Cc1cc(C)n(Cc2ccc(C(=O)N3CCC[C@@H](c4nc(-c5cccnc5)no4)C3)o2)n1 19574457 ZUQZFIAKCSUYPX-GOSISDBHSA-N 432.484 3.606 0 40 IHAB Cc1nc([C@H]2CCCN(C(=O)Cn3cnc4ccccc43)C2)nc2c1CCCN2CC1CC1 19706919 FBBLYWUQVDLNIW-FQEVSTJZSA-N 444.583 3.704 0 40 IHAB CCOC(=O)[C@@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@H]1c1ccncc1 19820815 PQFCZTYXAQMNAN-GOTSBHOMSA-N 440.503 3.789 0 40 IHAB O[C@@H](COCCOc1ccc(Cl)cc1)CN1CCN(Cc2ccc(Cl)cc2)CC1 19938591 KKCPFGYFCCFUBN-OAQYLSRUSA-N 439.383 3.568 0 40 IHAB O=C(CN1C(=O)[C@]2(SCC(=O)N2c2ccc(F)cc2)c2ccccc21)Nc1ccccc1 20574068 CRFRYJRPPHSXPU-XMMPIXPASA-N 447.491 3.744 0 40 IHAB COc1ccc(-c2coc3cc(OCCN4C[C@H](C)O[C@@H](C)C4)ccc3c2=O)cc1OC 20621773 IPRUUBMACLENNN-IRXDYDNUSA-N 439.508 3.965 0 40 IHAB biogenic Cc1c(Cl)cccc1N(CC(=O)N[C@H]1CC(C)(C)Oc2ccccc21)S(C)(=O)=O 22337256 KSIYZWCLVDNEIE-KRWDZBQOSA-N 436.961 3.833 0 40 IHAB CCCCNC(=O)c1ccccc1NC(=O)CN(c1c(C)cc(C)cc1C)S(C)(=O)=O 22394126 FUNPHCLXNZKSGS-UHFFFAOYSA-N 445.585 3.546 0 40 IHAB COC(=O)c1ccc(Cn2nc(C3CC3)c3cnn(-c4cccc(Cl)c4)c3c2=O)cc1 22768000 KBQKSHZSYDBAPR-UHFFFAOYSA-N 434.883 3.948 0 40 IHAB O=C(Cc1ccc(F)cc1)N(CCCN1CCOCC1)c1nc2c(F)cccc2s1 22997508 IFFAIDFVFVYBAO-UHFFFAOYSA-N 431.508 3.873 0 40 IHAB O=C(CCNC(=O)NC1CCCCC1)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 23354581 XPMWJUGXOZEZQI-UHFFFAOYSA-N 430.530 3.542 0 40 IHAB COc1cc(C(C)=O)ccc1OC[C@H](O)CSc1nc(NC2CC2)c2ccccc2n1 23401525 IEBVTBVBVBCQEH-KRWDZBQOSA-N 439.537 3.947 0 40 IHAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1ncnc2c1cnn2-c1ccccc1 25607800 MLUBWUIJIRBZCN-HNNXBMFYSA-N 444.520 3.672 0 40 IHAB COc1ccccc1[C@@H](CNC(=O)c1cc(=O)c2cc(Br)ccc2o1)N(C)C 28288227 KIARAHVMZVSZIX-MRXNPFEDSA-N 445.313 3.597 0 40 IHAB CNC(=O)[C@@H]1CN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2O1 29767552 RLKJLZAUOIVCKE-HNNXBMFYSA-N 432.320 3.878 0 40 IHAB COc1ccc(NC(=O)[C@@H](OC(=O)[C@H]2CCCN(C(C)=O)C2)c2ccccc2)cc1Cl 29895838 VEAYJGHPBUJHFO-UWJYYQICSA-N 444.915 3.830 0 40 IHAB CCOc1ccc(S(=O)(=O)N(Cc2ccco2)Cc2cc(C)c(C(=O)OC)o2)cc1 31608033 BKXGEVLFBLTOLD-UHFFFAOYSA-N 433.482 3.757 0 40 IHAB COc1ccc2[nH]cc([C@H](C(=O)O)N3CCN(c4cc(C)c5ccccc5n4)CC3)c2c1 31808278 BRSJYZIMEDSRGM-XMMPIXPASA-N 430.508 3.981 0 40 IHAB CSCC[C@@H](NC(=O)CS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccccc2[nH]1 32721140 HZUJFPPGJHQGRP-QGZVFWFLSA-N 437.974 3.601 0 40 IHAB CCOc1cc(Br)c(/C=c2\sc3nc4ccccc4n3c2=O)cc1OC 33336144 CQLCVRCLNHUTFO-MFOYZWKCSA-N 431.311 3.627 0 40 IHAB Cc1cc(C)n2nc(SCC(=O)Nc3ccccc3C(=O)Nc3ccccc3)nc2n1 35375812 PGIHSDORKWJREP-UHFFFAOYSA-N 432.509 3.724 0 40 IHAB O=C(CN1CCC(Nc2ncnc3scc(-c4ccc(F)cc4)c23)CC1)NC1CC1 40122897 QFENMJZGJHFRGK-UHFFFAOYSA-N 425.533 3.652 0 40 IHAB CCOc1cc(C(=O)Oc2ccc(-n3c(C)c(C)c4c(=O)[nH]cnc43)cc2)ccc1OC 40156540 SETRVYMDAAUDDH-UHFFFAOYSA-N 433.464 3.957 0 40 IHAB CSc1nn(CC(=O)Nc2ccccc2F)c(N)c1-c1nc(-c2cccc(C)c2)no1 46914640 LKRFUBIKZXGHDB-UHFFFAOYSA-N 438.488 3.990 0 40 IHAB COCc1cccc(CNC(=O)C(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)c1 58434697 UUHSQLLZXAWKRH-UHFFFAOYSA-N 425.872 3.929 0 40 IHAB C[C@H](NC(=O)N1CCN(c2cccc(Cl)c2)CC1)C(=O)Nc1ccc2[nH]ccc2c1 61719377 PPDQZYWHIUGMSP-HNNXBMFYSA-N 425.920 3.680 0 40 IHAB COC(=O)c1ccccc1NC(=O)CSc1nc2cc(C)[nH]c2c(=O)n1-c1ccccc1 67236697 IYIHKFSKWKMSNM-UHFFFAOYSA-N 448.504 3.540 0 40 IHAB COc1cc(NC(=O)Cn2c(=O)cc(-c3nc(C4CC4)no3)c3ccccc32)cc(OC)c1 67317875 XUZLKKLIZDDHFB-UHFFFAOYSA-N 446.463 3.585 0 40 IHAB CCc1ccc(CNC(=O)Cn2c(C)cc3nc(SC)n(CC(C)C)c(=O)c32)cc1 67320161 KQXYGWINVFFSAN-UHFFFAOYSA-N 426.586 3.763 0 40 IHAB Cc1cc(C(=O)N[C@H]2[C@H](O)[C@H](O)C[C@@H]2c2ccc(C(F)(F)F)cc2)c(C(F)(F)F)o1 72321765 MHSCCOKOIBVKGD-NMFUWQPSSA-N 437.336 3.633 0 40 IHAB biogenic,in-vitro Cc1nn([C@H](C)CC(=O)N2CCNC(=O)[C@H]2Cc2cccc(-c3ccccc3)c2)c(C)c1C 72351792 GGVQWOPNAZTIOC-IQGLISFBSA-N 444.579 3.996 0 40 IHAB CNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)Cc2ccccc2)CCO1 72389222 LOKOBMSNSXUHRC-RUZDIDTESA-N 434.561 3.544 0 40 IHAB COc1cc(C)ccc1OCC(=O)Nc1cc(Br)cnc1Br 84146208 KXTKFNPESFEQDO-UHFFFAOYSA-N 430.096 3.941 0 40 IHAB Cc1cc(OCC(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc(C)n1 95964606 DIQZNQAJTZCEHB-UHFFFAOYSA-N 425.510 3.541 0 40 IHAB CCN1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)Cc1ccc(OC)cc1)CC2 96263310 NYGWCGPGOMBHMF-UHFFFAOYSA-N 444.579 3.955 0 40 IHAB Cc1ccccc1-c1nc(C)c(CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)s1 96342770 MKWSSPIMEDRZBG-UHFFFAOYSA-N 429.567 3.607 0 40 IHAB CNC(=O)c1cccc(NC(=O)N[C@@H]2CCN(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)n1 97164751 OMAFYZQCQUQKKF-APWZRJJASA-N 433.915 3.579 0 40 IHAB O=C(C1CCC1)N1CCc2nc3cc([C@@H]4CCCCN4Cc4ccccc4)nn3c(O)c2C1 100243252 PHCWJCIRHWBPST-QHCPKHFHSA-N 445.567 3.847 0 40 IHAB Cc1ccc(C(=O)COC(=O)c2ccccc2N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1 101228374 VFVQIDHBAPXDDK-QIMUWSJESA-N 441.483 3.592 0 40 IHAB CCOC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1 113873553 VJNVIWVRUBAIEH-UHFFFAOYSA-N 432.723 3.861 0 40 IHAB CCOC(=O)COc1cc(F)ccc1C(=O)NCc1ccc(Br)cc1F 166594304 URGNQYFLFRGDOM-UHFFFAOYSA-N 428.229 3.599 0 40 IHAB CC[C@H](NC(=O)[C@H](C)N(c1ccc(OC)c(OC)c1)S(C)(=O)=O)c1ccc(C)cc1C 220242982 WCVUOJRMBONLCU-PXNSSMCTSA-N 448.585 3.743 0 40 IHAB COc1ccc(C)cc1N([C@H](C)C(=O)N1CCC(Cc2ccccc2)CC1)S(C)(=O)=O 220334803 VAQIDGOFSXBNKP-LJQANCHMSA-N 444.597 3.639 0 40 IHAB CC[C@H](C(=O)NCCCc1ccccc1Cl)N(c1cccc(OC)c1)S(C)(=O)=O 220626301 PZBSQNKLQUSBFW-HXUWFJFHSA-N 438.977 3.642 0 40 IHAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1ccc(C)cc1 222882946 HOXLUKKHQZAYRV-VWLOTQADSA-N 446.547 3.769 0 40 IHAB COc1ccc(C(=O)N2CCc3ccc(NS(=O)(=O)c4ccc(F)cc4)cc32)cc1 222988242 KLFCPJARLJOGON-UHFFFAOYSA-N 426.469 3.838 0 40 IHAB COc1ccc(OC)c(S(=O)(=O)N(C)Cc2nc(-c3ccc(C(C)(C)C)cc3)no2)c1 223621579 SYWATWKHDAXSLO-UHFFFAOYSA-N 445.541 3.872 0 40 IHAB CSc1ccc(S(=O)(=O)NCCOc2cc(C)cc(C)c2)cc1C(=O)N1CCCC1 224088500 JXGJLBRWMKFETA-UHFFFAOYSA-N 448.610 3.619 0 40 IHAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1cccc(C)c1 224939130 LKCNYOLPNTUNJO-QHCPKHFHSA-N 426.557 3.962 0 40 IHAB O=C(Nc1ccc(-n2ccnc2)cc1)c1nnn(Cc2ccccc2F)c1-c1ccncc1 225584807 AYFAPTWMTSOEAD-UHFFFAOYSA-N 439.454 3.966 0 40 IHAB COc1ccc(N(C)C(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1 226007979 OGLWOESNCDPSGR-UHFFFAOYSA-N 442.512 3.688 0 40 IHAB CCC[C@]1(C(=O)OCC)N[C@H](c2ccccc2F)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 245229918 ILKNXVBYDHWGND-KTIHBUSBSA-N 442.462 3.517 0 40 IHAB O=C([C@@H]1[C@H]2CCCC[C@H]21)N1CCCC[C@H]1c1nc(O)c2c(n1)CN(Cc1ccncc1)CC2 247800763 FPKVWBIKHJLCJK-JFSTXAPLSA-N 447.583 3.625 0 40 IHAB CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@H]2[C@@H]2CCCN21 247859979 FPNPKKNUBZDJTB-PEKRRXIPSA-N 449.938 3.642 0 40 IHAB Cc1nc(Nc2cncc(C3CCN(S(=O)(=O)c4ccccc4)CC3)n2)sc1C 257317719 VKWOZUMEPBTXJA-UHFFFAOYSA-N 429.571 3.862 0 40 IHAB Cc1ccccc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)cc2)CC1=O 408667978 QQOKVVKMPVYFKX-UIFIKXQLSA-N 446.503 3.633 0 40 IHAB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)Nc1ccc(F)c(Cl)c1 409129242 JCPCVGJRFXXCRW-LLVKDONJSA-N 425.243 3.667 0 40 IHAB Cc1cccc(C(=O)N[C@H](C)c2nnc(SCC(=O)N[C@@H](C)c3ccccc3)n2C)c1 409141774 IYJNDHPIFGSIMQ-DLBZAZTESA-N 437.569 3.584 0 40 IHAB CC(=O)N[C@H]1CC[C@](CNC(=O)c2ccccc2C(F)(F)F)(c2ccccc2)CC[C@@H]1O 585262373 XZBMZJTVZAFAAT-FUDKSRODSA-N 448.485 3.813 0 40 IHAB Cc1c(C(=O)N2c3ccccc3CC[C@H]2C(=O)N2CCN(C)CC2)oc2c(F)cccc12 643198359 RQNZROALIAVEEE-NRFANRHFSA-N 435.499 3.616 0 40 IHAB CC(C)S(=O)(=O)NC[C@H]1CCC2(CCN(Cc3cccc(C(F)(F)F)c3)CC2)CO1 2056225150 FONXSQHNZJWYCX-LJQANCHMSA-N 448.551 3.794 0 40 IHAB CCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(OCc2ccccc2)c(OCC)c1 915075 KZHLYPZFSKSYEF-NRFANRHFSA-N 435.484 3.503 0 40 IHAB CCn1c(SCC(=O)Nc2cc(OC)ccc2OC)nc2sc3c(c2c1=O)CCC3 924251 NFQGEMKEUCVRJU-UHFFFAOYSA-N 445.566 3.715 0 40 IHAB CCOc1ccc2[nH]c(=O)c(CN(Cc3nnnn3C3CCCC3)C3CCCC3)cc2c1 927962 RVXZHQSZZHRPOE-UHFFFAOYSA-N 436.560 3.973 0 40 IHAB O=C(NC[C@H]1CCCO1)[C@H]1CC(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C1 1089444 VDVUKNXOFXNYSI-FXAWDEMLSA-N 428.916 3.567 0 40 IHAB Cc1ccc2cc(CN(Cc3ccco3)Cc3nnnn3Cc3ccco3)c(=O)[nH]c2c1C 1373115 UBNGKLKSKHRNOF-UHFFFAOYSA-N 444.495 3.568 0 40 IHAB CCOc1cc([C@@H]2NC(=S)N(C)C(C)=C2C(=O)OC)ccc1OCc1ccccc1 1467266 RJQALYGCSNAPAU-NRFANRHFSA-N 426.538 3.972 0 40 IHAB COc1cc(-c2oc3cc(OC)c(OC)c(OC)c3c(=O)c2OC)cc(OC)c1OC 1649870 SHRSLVWLFNSTLK-UHFFFAOYSA-N 432.425 3.520 0 40 IHAB biogenic,in-vitro CC[C@H](C)N1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2ccc(OC)c(OC)c2)C1=O 2154336 TWOWLNZKJAGDBM-SOJACNMYSA-N 447.535 3.669 0 40 IHAB biogenic Cc1coc2c(C)c3oc(=O)c(CC(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)O)c(C)c3cc12 2155607 KZRBMJCYIYDJSM-FQEVSTJZSA-N 449.459 3.525 0 40 IHAB biogenic CC1(C)Cc2c(sc3nc(SCC(=O)NCCc4ccccc4)nc(N)c23)CO1 2228817 NILJCYPDDUTUHE-UHFFFAOYSA-N 428.583 3.576 0 40 IHAB COc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2C[C@H]2CCCO2)cc1OC 2418686 GHYGWTPQHWSGBY-VFNWGFHPSA-N 439.439 3.674 0 40 IHAB COc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 2656341 QLFLHYPZMNYABQ-UHFFFAOYSA-N 440.477 3.520 0 40 IHAB CCn1nc(C)c(CN(C)C(=O)[C@H](C)n2nc(C(F)F)c(Br)c2C)c1C 2774955 HMNOENAETNODDS-LBPRGKRZSA-N 432.313 3.944 0 40 IHAB O=C(CF)N[C@H](NC(=S)Nc1ccc(Br)cc1)C(Cl)(Cl)Cl 3136763 DVTYFNKWYBFUSJ-SECBINFHSA-N 437.549 3.518 0 40 IHAB COc1ccc(CNC(=O)COC(=O)CSc2ccc(Br)cc2C)cc1 3372860 QAUDQMYRSDTVAG-UHFFFAOYSA-N 438.343 3.718 0 40 IHAB O=C(OCc1cc(=O)oc2cc3c(cc12)CCC3)c1ccc(S(=O)(=O)C(F)F)cc1 3420268 JJDVPRAUUHACSP-UHFFFAOYSA-N 434.416 3.635 0 40 IHAB CC(=O)Nc1ccc(NC(=O)[C@@H](NC(=O)c2ccc(Br)cc2)C(C)C)cc1 3445093 REUWSMMBBPOPPO-SFHVURJKSA-N 432.318 3.801 0 40 IHAB COc1ccc([C@H]2CCCN2[C@H](C)C(=O)Nc2sc3c(c2C(N)=O)CCC3)c(OC)c1 8723698 ODSFLUYBWVYFPU-CXAGYDPISA-N 443.569 3.517 0 40 IHAB COc1cc(CC(=O)Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc(OC)c1OC 8824432 DWHREFUOELYTAV-UHFFFAOYSA-N 441.509 3.976 0 40 IHAB COc1ccccc1C[C@]1(C)NC(=O)N(CC(=O)N[C@H](C)c2cccc3ccccc23)C1=O 8880692 IJXBQRVHGXOTPS-QUGAMOGWSA-N 445.519 3.579 0 40 IHAB CSCC[C@@H](CO)NC(=O)Cc1c(C)c2cc3c(C(C)(C)C)coc3cc2oc1=O 9059477 SJRXPWXWTXALKC-AWEZNQCLSA-N 431.554 3.918 0 40 IHAB O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N12 9111164 VXCLYNXHHVLCPH-POTDNYQPSA-N 448.522 3.997 0 40 IHAB C[C@H](c1ccccc1)N1C[C@H](C(=O)Nc2cc(Cl)ccc2N2CCOCC2)CC1=O 9224259 AWKDUWUNKRYTMR-SJLPKXTDSA-N 427.932 3.725 0 40 IHAB COc1ccc(C(=O)CSc2ccc3nnc(-c4ccc(OC)c(OC)c4)n3n2)cc1 9415585 HQWPMKQIZBUMNC-UHFFFAOYSA-N 436.493 3.792 0 40 IHAB CC[C@@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NC1CCCC1 9488513 ZKDFEQXJJGTFOU-KBHIOQAXSA-N 443.613 3.625 0 40 IHAB O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)NCC(=O)Nc1ccc(F)cc1 9703722 QPTOHLSUFJYQGO-UHFFFAOYSA-N 447.422 3.546 0 40 IHAB Cc1ccsc1C(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 9712473 HBTMUTPDLYEJIO-UHFFFAOYSA-N 430.507 3.881 0 40 IHAB C[C@H](Oc1ccccc1F)c1nnc(S[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)o1 9729686 TTWQVAVOMHZGOB-QWHCGFSZSA-N 445.472 3.874 0 40 IHAB CCOC(=O)c1c(NC(=O)CSc2nnc(-c3ccco3)n2C)sc2c1CCCC2 10014253 RPGSDVHJBBJKRF-UHFFFAOYSA-N 446.554 3.923 0 40 IHAB O=C(Nc1ccccc1)C1CCN(C(=O)COc2ccc3c4c(c(=O)oc3c2)CCC4)CC1 10444295 BRSPBNIJCDAZIZ-UHFFFAOYSA-N 446.503 3.538 0 40 IHAB CN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)COC(=O)c1ccccc1F 10730764 KDKKJJOSTPUNSF-UHFFFAOYSA-N 448.516 3.574 0 40 IHAB COc1ccccc1C(=O)N(Cc1ccc(-c2ccc(F)cc2)o1)[C@H]1CCS(=O)(=O)C1 11914230 DXXNGAGZFRSKQP-SFHVURJKSA-N 443.496 3.924 0 40 IHAB CCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3cc(Cl)ccc3C)cc21 12180667 FVPOTQGGZFAPCY-UHFFFAOYSA-N 428.963 3.552 0 40 IHAB COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2ccc3c(c2)OCO3)cc1OC 12371313 NVVRGTZIVAKIGP-UHFFFAOYSA-N 448.475 3.657 0 40 IHAB Cc1cc(C(=O)CSc2nnc(Cc3cccs3)n2C2CC2)c(C)n1-c1nnc[nH]1 12593348 NECAUUHGSRCHCI-UHFFFAOYSA-N 439.570 3.766 0 40 IHAB Cc1nn(Cc2ccccc2)c(C)c1CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 12852344 OUVOHLGUXAESIG-UHFFFAOYSA-N 439.459 3.925 0 40 IHAB COCCN(CCOC)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 12853637 LBHSACSZTPRATF-UHFFFAOYSA-N 427.932 3.857 0 40 IHAB Cc1cc(Br)ccc1NC(=O)CN(C)[C@H](C)C(=O)N1CCc2ccccc2C1 12910292 LRTJKSRCSUUEIN-MRXNPFEDSA-N 444.373 3.601 0 40 IHAB C[C@@H](NC(=O)CN(C)CC(=O)Nc1ccccc1Br)c1ccc(Cl)cc1 13061062 OJKREUWTEIIUHK-CYBMUJFWSA-N 438.753 3.850 0 40 IHAB Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 13112710 ZDKQYZKXVCGSAR-UHFFFAOYSA-N 440.487 3.731 0 40 IHAB CCc1cc2c(=O)n(NC(=O)c3ccc(OCc4ccccc4)c(OC)c3)cnc2s1 13164265 PBCBEFXLTQCSEL-UHFFFAOYSA-N 435.505 3.992 0 40 IHAB COc1cc(NC(=O)Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)n3C)cc(OC)c1 13364856 BCOBIEYIXYZDHS-UHFFFAOYSA-N 439.516 3.529 0 40 IHAB CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)[C@H](C)N1C[C@H](C)C[C@@H](C)C1 13713576 ZEXLUBLZRNFVBG-KFWWJZLASA-N 431.533 3.667 0 40 IHAB O=C1[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1nn(Cc2c(Cl)cccc2Cl)cc1Cl 13960414 BUZQCKCFWQUQOB-XGUBFFRZSA-N 426.687 3.558 0 40 IHAB O=C(N[C@@H]1CCSc2ccc(F)cc21)C1CCN(S(=O)(=O)c2ccccc2)CC1 14230012 ZCQZSVUEAGGDCM-LJQANCHMSA-N 434.558 3.580 0 40 IHAB CCOC(=O)N1CCN(C(=O)c2cc(-c3ccccc3C)nc3c2cnn3C(C)C)CC1 14259677 XYXQXLMRTBOISC-UHFFFAOYSA-N 435.528 3.902 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3cc(C)ccc3C)CC2)cc1 14573457 UHDJVRDWCMGQHE-SFHVURJKSA-N 430.570 3.590 0 40 IHAB COc1cc([C@@H]2CC(O)=Nc3c2c(C)nn3-c2ccc(Cl)nn2)cc(OC)c1OC 15083824 RQUPTNLJPPVGSN-LBPRGKRZSA-N 429.864 3.774 0 40 IHAB CCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3c(C)c(C)cc(C)c3C)cc21 15781471 JPSIIHXKQOAYQY-UHFFFAOYSA-N 436.599 3.823 0 40 IHAB Cn1cc(C(=O)Nc2cccc(Cl)c2)c2[nH]c(=O)n(-c3ccc(Cl)cc3)c(=O)c21 17149059 VGANSJFKWAEJGV-UHFFFAOYSA-N 429.263 3.577 0 40 IHAB CC1CCC(N(C)C(=O)CSc2nc3ccccc3c(=O)n2Cc2cccnc2)CC1 17744276 YMYKCNYTODEWFX-UHFFFAOYSA-N 436.581 3.969 0 40 IHAB COc1cc(CNC(=O)COc2ccc(Br)cc2Cl)cc(OC)c1OC 18224271 IKPHSXHCSGFLAO-UHFFFAOYSA-N 444.709 3.824 0 40 IHAB CC(C)c1cc(C(=O)N2CCC(O)(Cn3ccc4nc(-c5ccncc5)ccc43)CC2)no1 19452664 XCZPHSPQXUJJDT-UHFFFAOYSA-N 445.523 3.877 0 40 IHAB CC(=O)Nc1cc(C)c(S(=O)(=O)N2CCC[C@H](c3cc4ncccc4[nH]3)C2)cc1C 19567431 ZNJISDOQCITNFU-KRWDZBQOSA-N 426.542 3.706 0 40 IHAB Cc1cnc(-c2nc(CN(C)C[C@H]3CC=CCC3)ncc2C(=O)NCc2ccccc2)cn1 19696827 LRFCQVBMOQEDPS-NRFANRHFSA-N 442.567 3.960 0 40 IHAB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2ccc(OC(F)F)cc2)n2nnnc2N1 20133953 YGAOUXQHNVTPJS-SFHVURJKSA-N 426.427 3.819 0 40 IHAB Cc1nc(SCC(=O)N2N=C(c3ccco3)C[C@H]2c2cccs2)sc1CC(N)=O 22486867 RDKZZMPALCLDII-ZDUSSCGKSA-N 446.579 3.604 0 40 IHAB CCOc1ccccc1NC(=O)C(=O)NC[C@H](c1ccco1)N1CCc2ccccc2C1 22907606 ONJBDYDRDLDSDI-OAQYLSRUSA-N 433.508 3.533 0 40 IHAB Cc1ccc(-c2nnc([C@H](C)N3CCN(CC(=O)Nc4c(C)cccc4C)CC3)o2)cc1 22935538 KXXBLACWZDNWFP-FQEVSTJZSA-N 433.556 3.979 0 40 IHAB CCS(=O)(=O)N1CCC(C(=O)Oc2ccc3cc(Br)ccc3c2)CC1 24134391 WRULXFQANPFGRR-UHFFFAOYSA-N 426.332 3.569 0 40 IHAB CCOc1cc2c(cc1CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1)O[C@H](C)C2 24317667 LDSIEGNOAQVYSO-UTKZUKDTSA-N 448.519 3.659 0 40 IHAB O=C(CSc1nnc(N2CCCCC2)n1-c1ccccc1)N[C@H]1CCOc2ccccc21 27922621 JRYBXDAVLQWQJL-FQEVSTJZSA-N 449.580 3.990 0 40 IHAB Cc1nn(Cc2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)c(C)c1Br 27970323 BQMLUFZTDFQOKX-UHFFFAOYSA-N 442.313 3.969 0 40 IHAB Cc1ccc(CN(C)C(=O)[C@@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)cc1 30865463 HVHYCDWBIKEDGO-HSZRJFAPSA-N 428.598 3.628 0 40 IHAB O=C(CSc1n[nH]c(/C=C/c2ccc(F)cc2)n1)N1CCN(Cc2cccs2)CC1 31242115 QJNNTERPAVDUHW-VMPITWQZSA-N 443.573 3.612 0 40 IHAB COc1ccccc1/C=C(/C(=O)NCc1ccc(N2CCOCC2)nc1)c1ccccc1 32907949 ZPOMAEPUURXFLK-HAVVHWLPSA-N 429.520 3.784 0 40 IHAB CCCOc1c(C(N)=O)cn(C)c1-c1nc2cc(NC(=O)c3ccccc3)ccc2n1C 36369841 IDFMMQNTFLIVEQ-UHFFFAOYSA-N 431.496 3.719 0 40 IHAB biogenic COc1c(C(=O)N(C)C)cn(C)c1-c1nc2cc(NC(=O)Nc3ccccc3)ccc2n1C 36370119 FZPAJORFQXXGNQ-UHFFFAOYSA-N 446.511 3.933 0 40 IHAB biogenic O=C(O)c1cc(S(=O)(=O)NCc2ccccc2N2CCCC2)c(Cl)cc1Cl 36615076 KCHOPFHWBIKBLZ-UHFFFAOYSA-N 429.325 3.770 0 40 IHAB Cc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)Nc2nc(Nc3ccc(F)cc3)[nH]c(=O)c21 40399744 CRAMPEIDAYUYOJ-CQSZACIVSA-N 441.850 3.679 0 40 IHAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1cn(Cc2ccccc2)cc2c(=O)[nH]nc1-2 42380731 PFCKMEXAOGXHAJ-UHFFFAOYSA-N 428.370 3.875 0 40 IHAB Cc1ccc(CN(C)C(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3O2)cc1 44903165 IUQYAEHKNALJAI-QHCPKHFHSA-N 436.533 3.610 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CSCc1ccc(C)cc1 44903352 CGLRZXAOVNHDND-UHFFFAOYSA-N 434.583 3.660 0 40 IHAB O=C(COc1ccc2ccccc2c1Br)NC1CCN(c2ncccn2)CC1 48260363 KPYOYFBLEHXZSK-UHFFFAOYSA-N 441.329 3.556 0 40 IHAB Cc1cc(-n2nnc(C(=O)Nc3ccc4c(c3)OCCO4)c2-c2cccnc2)ccc1F 49003677 QQVRXIQNOQACIO-UHFFFAOYSA-N 431.427 3.800 0 40 IHAB Cc1ccc(C)c(-n2c(=O)c3sccc3n(CC(=O)N[C@H]3CCc4ccccc43)c2=O)c1 57492801 ZTTTYTPTUNLQCW-IBGZPJMESA-N 445.544 3.634 0 40 IHAB CCOc1ncc([C@]2(O)CC[C@H]3CN(Cc4cccc(OC(C)C)c4)C[C@@H]32)c(OCC)n1 57773884 GDZNPJKSHQYXBX-KIVTUJJHSA-N 441.572 3.791 0 40 IHAB Cc1nc(NC(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)sc1Cc1ccc2c(c1)OCO2 58029235 QAQHQXDDRYAMQF-HNNXBMFYSA-N 429.542 3.747 0 40 IHAB COc1ccc(-n2c(O)nc3nc(NCc4ccccc4C(F)(F)F)ncc3c2=O)cc1 67263531 RJNZBFOIBIAPQX-UHFFFAOYSA-N 443.385 3.521 0 40 IHAB COc1ccc(Cl)cc1NC(=O)Cn1nnc(C(=O)Nc2ccccc2Cl)c1C 67322155 VUBWDLOQGQUBQN-UHFFFAOYSA-N 434.283 3.793 0 40 IHAB CC[C@H](C)NC(=O)CN1CCC(Oc2ncnc3c2c(C)c(C)n3C2CCCC2)CC1 72336029 SWRMGITZLXRZBG-INIZCTEOSA-N 427.593 3.921 0 40 IHAB CCN1CCN(C(=O)Cc2ccc(OC)cc2)[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O 72351887 RLBXARPZCOHFDI-RUZDIDTESA-N 443.547 3.602 0 40 IHAB Cc1nc([C@@H]2CCCN2C(=O)c2ccccn2)nc2c1CCC(=O)N2Cc1cccc(F)c1 72371097 LHLRFBKOFBNXSK-NRFANRHFSA-N 445.498 3.776 0 40 IHAB COc1ccc(/C=C/C(=O)NCc2nn(C3CCCC3)c(=O)c3ccccc23)cc1OC 77099400 PJSWRDCPWHSUGN-WYMLVPIESA-N 433.508 3.858 0 40 IHAB NC(=O)CC1CCN(C(=O)c2cccnc2Oc2ccc(F)cc2Br)CC1 84358101 QPAFPKZREIKXNN-UHFFFAOYSA-N 436.281 3.503 0 40 IHAB COc1ccc(CN2CCC(NC(=O)c3cccc(Nc4ncccn4)c3)CC2)cc1OC 95475552 RUEWEBIKEDRDEC-UHFFFAOYSA-N 447.539 3.632 0 40 IHAB C[C@@H](c1ccccc1)[C@@](C)(O)C(=O)OCCCOC(=O)[C@@](C)(O)[C@H](C)c1ccccc1 95963504 KNIKKEJWUBPJRE-TXHUAPDYSA-N 428.525 3.572 0 40 IHAB COC(=O)CN[C@@H](c1ccc(C)cc1)c1ccccc1NS(=O)(=O)c1ccc(C)cc1 97165855 DZPSTCRJXKFPKS-DEOSSOPVSA-N 438.549 3.956 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2F)c2ccccc2OC)cc1 113937766 VOYDUOBBNRHUDP-UHFFFAOYSA-N 444.484 3.677 0 40 IHAB CC(=O)O[C@@H](C)[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 123406096 YSWRIYFDFKLCHS-PWFGDKCLSA-N 436.589 3.614 0 40 IHAB CC[C@@H](C(=O)N[C@@H](C)COc1ccccc1C)N(c1ccc(Cl)cc1)S(C)(=O)=O 219108278 QMYPVLOFCZEWDI-LPHOPBHVSA-N 438.977 3.777 0 40 IHAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-n3cnnc3)c2C)cc1 223751256 GRGVIWGISULJAU-VXKWHMMOSA-N 445.552 3.589 0 40 IHAB COc1ccc([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc2)cc1 223985377 VJDLSVUTSUOLMN-MRXNPFEDSA-N 440.521 3.996 0 40 IHAB Cc1ccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1C 224021884 UIZVYJLPSGLNAI-UHFFFAOYSA-N 430.570 3.595 0 40 IHAB Cc1cccc(OCCNC(=O)CCCN(c2ccc(OC(C)C)cc2)S(C)(=O)=O)c1 224906055 VEEYCOWGNZRFRA-UHFFFAOYSA-N 448.585 3.524 0 40 IHAB COc1ccc(OCC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NCC(C)C)cc1 225658019 MJCWWNRZVPLSNG-KRWDZBQOSA-N 432.948 3.917 0 40 IHAB COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(C)o1 225659185 XEUIQUDSTMPLHI-VXKWHMMOSA-N 436.537 3.993 0 40 IHAB COCCC(=O)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc(OC(C)C)cc2)C1 227308189 HZIKANNGKYALMR-PXDATVDWSA-N 425.573 3.975 0 40 IHAB CCn1cc(CN2CCO[C@H](c3cccc(-c4cnc(N)nc4)n3)C2)c2ccc(F)cc21 257246070 ISIAGEKLELZKPM-QHCPKHFHSA-N 432.503 3.808 0 40 IHAB Cc1ccccc1Cc1cccc([C@H]2CN(CC(=O)Nc3ccnn3C(C)C)CCO2)n1 257250742 JNWCFIGLDZYEIS-HSZRJFAPSA-N 433.556 3.770 0 40 IHAB O=C1N(Cc2ccsc2)CCO[C@@]12CN(CCc1ccccc1)C[C@H]2c1cccnc1 306131410 KDUFRPLLOXSLFE-UKILVPOCSA-N 433.577 3.583 0 40 IHAB O=C(c1ccc(CN2CCOCC2)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 408562847 FAAKWTIAGYATLJ-UHFFFAOYSA-N 433.474 3.500 0 40 IHAB O=C(c1ccccc1I)N1CCC[C@@H](N2CCc3ccccc3C2)C1 408607273 KKXCTUOFLRYMQT-GOSISDBHSA-N 446.332 3.954 0 40 IHAB Cc1cc(C)cc(N([C@@H](C)C(=O)Nc2ccccc2C(=O)NC(C)(C)C)S(C)(=O)=O)c1 408609543 PAOHIACPTLPNKQ-KRWDZBQOSA-N 445.585 3.625 0 40 IHAB COC(=O)c1cccc(NC(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)c1C 408694206 FTFNWMHMILWSCW-UHFFFAOYSA-N 438.933 3.620 0 40 IHAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(SC)c2)C1 408713476 AQXDOLRBBLTJCA-AWEZNQCLSA-N 438.546 3.596 0 40 IHAB CCOc1cc(/C=C2/NC(=O)NC2=O)cc(Br)c1OCc1ccc(F)cc1 409046144 JBHZGFTWGIEOFP-OVCLIPMQSA-N 435.249 3.746 0 40 IHAB CCn1c(CC(=O)Nc2ccccc2)nnc1SCC(=O)Nc1cc(F)ccc1C 409348762 PJABGVRBGOLJSQ-UHFFFAOYSA-N 427.505 3.658 0 40 IHAB Cc1cc2nc3s/c(=C\c4cc(Cl)c(OCC(=O)O)c(Cl)c4)c(=O)n3c2cc1C 409392423 MLQAQIUKBZUIKL-APSNUPSMSA-N 449.315 3.844 0 40 IHAB O=C(CCC(=O)N1CCC(Cn2nc(-c3ccc(F)cc3)ccc2=O)CC1)c1ccccc1 585147566 XOJLIIQGTVSRJE-UHFFFAOYSA-N 447.510 3.951 0 40 IHAB O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)N1CCC[C@H](n2ccnc2)C1 590861024 GINMVXJCWLBINU-LPHOPBHVSA-N 432.366 3.519 0 40 IHAB COc1ccccc1NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 869228 PVWJGBSITOLWJU-NRFANRHFSA-N 440.496 3.589 0 40 IHAB COc1cc(-c2nnc(SCC(=O)Nc3cccc(C)c3C)n2C)cc(OC)c1OC 874148 OALJFECBSPWCTI-UHFFFAOYSA-N 442.541 3.856 0 40 IHAB CCOc1ccc2nc(SCC(=O)N3CCN(C(=O)c4ccccc4)C3)sc2c1 1427120 AJEHDEJYFDSPBJ-UHFFFAOYSA-N 427.551 3.729 0 40 IHAB O=S(=O)(Nc1ccc2c(c1)nc1n2CCN(Cc2ccccc2)C1)c1ccc(F)cc1 1427807 WDJHXSAEWTUUIL-UHFFFAOYSA-N 436.512 3.992 0 40 IHAB aggregator CC(=O)Nc1ccc(-n2c(N)c(C(=O)NC3CCCC3)c3nc4ccccc4nc32)cc1 2247278 VYKLUJYOJVCWBB-UHFFFAOYSA-N 428.496 3.787 0 40 IHAB CCOC(=O)c1[nH]c(CSc2nnc(-c3ccccc3)n2C)c(C(=O)OCC)c1C 2636575 LYUBRXGKSWHABM-UHFFFAOYSA-N 428.514 3.764 0 40 IHAB CC(=O)Nc1cccc(NC(=S)N[C@@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl)c1 3091961 MHAOITVLCAZYAP-CQSZACIVSA-N 439.796 3.790 0 40 IHAB Cc1cc(=O)oc2cc(OCC(=O)OCC(=O)c3ccccc3Br)ccc12 3297032 FNRQCNMZRBSIIX-UHFFFAOYSA-N 431.238 3.669 0 40 IHAB O=C(OC(c1ccccc1)c1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 3324810 RWMXMNFPOWNTKH-UHFFFAOYSA-N 437.517 3.654 0 40 IHAB CCOCCCNC(=S)N1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1 4967137 UYJIUJGUQJYHSX-UHFFFAOYSA-N 425.023 3.887 0 40 IHAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3ccc(S(N)(=O)=O)cc3)c2n1 6095009 VWUCXWRFLIZSDW-UHFFFAOYSA-N 440.308 3.515 0 40 IHAB COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)N2Cc2ccccn2)cc1 6136670 UAUKPODKMFRXDK-OAQYLSRUSA-N 448.454 3.596 0 40 IHAB COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CCC(C)CC3)cc2c1 6148928 FDNNBOIJYNZQKB-QFIPXVFZSA-N 436.560 3.850 0 40 IHAB Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CCCCC3)cc2c1 6301204 HUQOPDRBMSLDQW-HSZRJFAPSA-N 428.540 3.755 0 40 IHAB Cc1ccc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)N3CCCC3)c(=O)[nH]c2c1C 6442550 FIYDYXZSGBURPJ-JOCHJYFZSA-N 432.503 3.504 0 40 IHAB O=C(CSc1nnnn1-c1ccc(O)cc1)Nc1ccc2c(c1)OC1(CCCCC1)O2 8899974 VPLGARTWLTUHHW-UHFFFAOYSA-N 439.497 3.530 0 40 IHAB CC(C)CNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1 8916042 LSSOGHJTNJOTFT-UHFFFAOYSA-N 431.396 3.545 0 40 IHAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)COC(=O)/C=C/c1ccc(C)o1 9503615 PAYHGDOPMFQMSN-SOFGYWHQSA-N 427.375 3.827 0 40 IHAB CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)n2c([C@H](C)O)nc3ccccc32)c1 9588932 WODCOJPRVPHSRK-KRWDZBQOSA-N 449.532 3.993 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)/C=C/c3nc4ccccc4s3)CC2)cc1 9666713 NBHATHJUNQILFG-VAWYXSNFSA-N 441.578 3.541 0 40 IHAB O=C(OCC(=O)N1CCN(c2ccccc2)CC1)c1ncc(Cl)c(Cl)c1Cl 9670519 HDTIMGDFQBSNGW-UHFFFAOYSA-N 428.703 3.547 0 40 IHAB CCS(=O)(=O)c1ccccc1C(=O)N1CCN(c2nc3cc(C)cc(C)c3s2)CC1 9707710 XHTAWMNKNXFNDG-UHFFFAOYSA-N 443.594 3.669 0 40 IHAB Cc1ccc(CNC(=O)CSc2nccn(-c3ccc(Br)cc3)c2=O)cc1 9761497 WMPKRMHJTZTUGC-UHFFFAOYSA-N 444.354 3.712 0 40 IHAB COc1cccc(CNc2nc(NCc3cccc(OC)c3)n(C(=O)c3ccco3)n2)c1 9847053 HZCNLHORJHNDJE-UHFFFAOYSA-N 433.468 3.801 0 40 IHAB CCN(Cc1cccc(F)c1)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 9861774 XXPNQUKURJUIBY-UHFFFAOYSA-N 433.549 3.732 0 40 IHAB Cc1cc(C)c(C)c(SCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1C 10560753 HHWRGYCHZGJQOK-UHFFFAOYSA-N 448.610 3.672 0 40 IHAB COc1ccccc1CCC(=O)N1CCC[C@@H](c2nc3ccc(F)cc3cc2C(N)=O)C1 12255482 GYCITMVDZOULOE-QGZVFWFLSA-N 435.499 3.820 0 40 IHAB COc1ccc(OC)c(/N=c2\oc3c(OC)cccc3cc2C(=O)NC[C@@H]2CCCO2)c1 12350185 KQVVFOHPXSFMOS-ZRZCPFIBSA-N 438.480 3.600 0 40 IHAB COC(=O)C1=C(CN2CCC[C@@H](C(F)(F)F)C2)N(C2CC2)C(=O)N[C@@H]1c1ccccc1 12919076 APGKZKXGMIMOIY-DNVCBOLYSA-N 437.462 3.617 0 40 IHAB O=C(N[C@@H](c1ccc(F)cc1)c1cccs1)c1ccc(N2CCCS2(=O)=O)cc1 12989210 JLBIXAJGMKAXRA-FQEVSTJZSA-N 430.526 3.947 0 40 IHAB CCOc1ccc(NC(=O)CN(C)C(=O)c2csc(-c3ccco3)n2)cc1OCC 13005896 MFHVEFBWFVSJTM-UHFFFAOYSA-N 429.498 3.911 0 40 IHAB COc1ccc(C(=O)NCc2ccc(F)cc2)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C 13042329 NYVPCNYAEWKANG-HNAYVOBHSA-N 434.533 3.621 0 40 IHAB COc1cc(-c2nnc(S[C@H](C)C(=O)N(C)c3ccccc3)o2)cc(OC)c1OC 13112233 HPWSCLAYQOCCNJ-CYBMUJFWSA-N 429.498 3.906 0 40 IHAB COc1ccc(OC)c([C@@H]2CCCN2[C@@H](C)C(=O)Nc2sc3c(c2C(N)=O)CCC3)c1 13165182 CKFNCTQNTBZRJH-GUYCJALGSA-N 443.569 3.517 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)c1ccc(Cl)c(Cl)c1 13482251 LWZQBINVVDQYMM-CQSZACIVSA-N 429.325 3.703 0 40 IHAB Cc1ccc2nc(-c3ccc(NC(=O)COC(=O)CN4CCSC4=O)cc3)sc2c1 14167791 IVPIKYBJOSDWLX-UHFFFAOYSA-N 441.534 3.922 0 40 IHAB Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)NCCCN3CCCC3=O)cc12 14240083 NVHZGLNSGFJFKU-UHFFFAOYSA-N 430.961 3.850 0 40 IHAB COc1ccc(NC(C)=O)cc1NC(=O)c1cc2cccnc2n(Cc2ccccc2)c1=O 15883320 IGIYPEHVLGHJPZ-UHFFFAOYSA-N 442.475 3.664 0 40 IHAB O=C(NC1CCCCC1)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCC2 17096032 PASIKBWVDYKATA-QISBLDNZSA-N 428.554 3.761 0 40 IHAB Cc1ccc(C(=O)NC(=S)NCc2ccc(-c3nn4c(C)nnc4s3)cc2)cc1C 17100588 OGSWWHXXWJJQBQ-UHFFFAOYSA-N 436.566 3.583 0 40 IHAB Cc1ccc2[nH]c([C@H]3CCCN(C(=O)[C@@H]4CCS(=O)(=O)C4)C3)c(-c3ccncc3)c2c1 19220163 ZUSONRUTSYVOFR-RBUKOAKNSA-N 437.565 3.679 0 40 IHAB COc1ccc(CC(=O)N[C@H](Cc2c[nH]c3ccccc23)c2cc(N(C)C)nc(C)n2)cc1 19240866 AZDUNXSAEFCOOO-HSZRJFAPSA-N 443.551 3.984 0 40 IHAB COc1ccc(CC(=O)N2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4nc(C)cc4N3)C2)cc1C 19571083 ZNUYSOOLHBRQQQ-GBESFXJTSA-N 432.515 3.980 0 40 IHAB CNC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)c2cccc(OC)c2)CCO1 19591847 GUAZZNFHWQIOMH-MHZLTWQESA-N 444.531 3.562 0 40 IHAB Cc1nc(C)n(CCC(=O)N2CCO[C@H](c3ccc(Cc4ccccc4Cl)cn3)C2)n1 19692412 IINIIBHNGCJCCW-QFIPXVFZSA-N 439.947 3.524 0 40 IHAB Cc1nc([C@@H]2CCN(C(=O)CCn3ccnc3C)C2)nc2c1CCCN2Cc1ccccc1 19707541 LZWBLWWXKUAHJB-JOCHJYFZSA-N 444.583 3.649 0 40 IHAB CNc1cc(C(=O)N2CCCC[C@@H]2c2ncc(C(=O)Nc3ccc(F)cc3)c(C)n2)ccn1 19765012 DDIBSXNGZJPLPN-HXUWFJFHSA-N 448.502 3.981 0 40 IHAB Cc1nc([C@H]2CCCCN2C(=O)COc2ccc(F)cc2)ncc1C(=O)N1CCCCC1 19765703 AZEVAINTBIMBQH-OAQYLSRUSA-N 440.519 3.683 0 40 IHAB CN1CCN(C(=O)CSc2nc3ccc(NC(=O)c4ccccc4F)cc3s2)CC1 19832010 RHHZONNKRJHDJL-UHFFFAOYSA-N 444.557 3.554 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(F)c(F)c3)C2)cc1C 20017381 FHJRSQLHYWVFNT-OAHLLOKOSA-N 438.496 3.711 0 40 IHAB CC1=NN(c2ccccc2)C(=O)[C@@H]1[C@@H](CC(=O)c1ccc(Br)cc1)C(=O)O 20247220 FGUSFVWQNHUXQZ-AEFFLSMTSA-N 429.270 3.762 0 40 IHAB CCn1c(SCC(=O)Nc2ccccc2C)nc2sc3c(c2c1=O)CCN(C)C3 20266211 XZIFKDMANNCSOB-UHFFFAOYSA-N 428.583 3.505 0 40 IHAB NS(=O)(=O)c1ccc(CCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 20899849 GXCAATDUHDHKQA-UHFFFAOYSA-N 440.365 3.943 0 40 IHAB C[C@@H](OC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)C(=O)N(C)c1ccccc1 21841639 STWBLQASPBYAEQ-OAHLLOKOSA-N 435.446 3.912 0 40 IHAB COc1ccc(/C=C2\C[C@@H](C)Cc3c2nc2ccccc2c3C(=O)N2CCNC(=O)C2)cc1 22185243 TZHVGXBYOKUJRA-VXNZKSKFSA-N 441.531 3.938 0 40 IHAB Cc1cccc(C)c1NC(=O)CN1CCN(Cc2nc(-c3cccc(Cl)c3)no2)CC1 22915014 YSHGVQCQLMMKHD-UHFFFAOYSA-N 439.947 3.763 0 40 IHAB C[C@H](Sc1nnc(-c2cccs2)n1Cc1ccccc1)c1nc(N)nc(N(C)C)n1 24883933 UXKWETDEDLNSGD-ZDUSSCGKSA-N 438.586 3.741 0 40 IHAB C[C@H](Sc1nc2ccccc2c(=O)n1Cc1ccccc1)C(=O)N1C[C@@H](C)O[C@H](C)C1 25392942 KMYBOLKPMZNNDG-KURKYZTESA-N 437.565 3.561 0 40 IHAB O=C1N/C(=C/c2cc([N+](=O)[O-])cc(Br)c2O)C(=O)N1c1cccc(Cl)c1 27904660 CPDKHAIVIIJFCV-WLRTZDKTSA-N 438.621 3.814 0 40 IHAB O=C(Cn1ncc2ccccc2c1=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 30625014 ITNSFBPQTOAONE-UHFFFAOYSA-N 449.514 3.625 0 40 IHAB COc1ccc(OC)c(N2C[C@H](C(=O)O[C@@H](C)C(=O)c3ccc(Cl)cc3)CC2=O)c1 31065995 HTFGDQIUKIXUTM-DZGCQCFKSA-N 431.872 3.525 0 40 IHAB Cc1nccc(-c2cccc(NC(=O)[C@@H](NS(=O)(=O)c3ccccc3F)C(C)C)c2)n1 31121956 IHQREWSVOSOOOQ-NRFANRHFSA-N 442.516 3.533 0 40 IHAB Cc1ccc(-c2noc([C@H](C)N3CCN(Cn4nc5ccccn5c4=S)CC3)n2)cc1 31784200 QTYGPYBRWHRIIL-KRWDZBQOSA-N 435.557 3.560 0 40 IHAB O[C@H](COc1ccc(F)cc1)CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1 32750951 IQNVDRGEQJZQLY-NVXWUHKLSA-N 435.546 3.857 0 40 IHAB C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1)C(=O)Nc1ncccn1 32879770 HQZYKNYZQCUCKV-LSDHHAIUSA-N 449.540 3.515 0 40 IHAB COc1ccc(-n2c(SCC(=O)NCc3ccccc3)nnc2-c2ccccn2)cc1 35289528 JVKZHAJHCLSXFD-UHFFFAOYSA-N 431.521 3.746 0 40 IHAB O=C1C[C@H](N2CCc3c([nH]c4ccccc34)C2)C(=O)N1c1cccc(OC(F)(F)F)c1 36125685 GYUKWEDKQGCWLF-IBGZPJMESA-N 429.398 3.757 0 40 IHAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccccc1Cl 36579994 VPPKLSZRKSVNNW-CTNGQTDRSA-N 438.915 3.505 0 40 IHAB COc1ccc(NC(=O)CSc2nnc([C@@H](C)Oc3ccccc3)n2C)cc1OC 36631392 GYQNEMGULWDGQH-CQSZACIVSA-N 428.514 3.703 0 40 IHAB C[C@@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1)c1ccc(F)cc1 44934297 ISPISALPBGZFFI-VLIAUNLRSA-N 434.533 3.528 0 40 IHAB COc1cc(NC(=O)CSc2nc3ccsc3c(=O)n2CC(C)C)cc(OC)c1 57426247 WCFVYZPTXPHEER-UHFFFAOYSA-N 433.555 3.862 0 40 IHAB Cc1cc(F)ccc1-n1c(=O)c2sccc2n(CC(=O)Nc2ccc(Cl)cc2)c1=O 57493484 WFVJBZOMFUHVHR-UHFFFAOYSA-N 443.887 3.954 0 40 IHAB CCN(CC)c1ccc(NC(=O)NC[C@@H](O)COc2cccc(C(F)(F)F)c2)cn1 65567337 DQXHNHNUDIPRFW-MRXNPFEDSA-N 426.439 3.508 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(Nc3nc(C)cc(C)n3)cn2)cc1 72353037 YEXLIDVOUFBZSR-OAQYLSRUSA-N 439.541 3.766 0 40 IHAB Cc1nc(-c2ccc(S(=O)(=O)N(CCO)c3ccc(Br)cc3)cc2)co1 79102999 WPSPJFRYJSFYCO-UHFFFAOYSA-N 437.315 3.600 0 40 IHAB CCS(=O)(=O)Nc1cccc(C2=NN(C(=O)c3ccco3)[C@@H](c3cccc(O)c3)C2)c1 89274561 OSRIRUMKKLFLLQ-HXUWFJFHSA-N 439.493 3.738 0 40 IHAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CCC(Oc2ncccc2Br)CC1 96096950 DGGUZEXBETVTSU-GQCTYLIASA-N 431.286 3.656 0 40 IHAB CCN1CC[C@]2(CN(CC(C)C)CC23CCN(C(=O)c2cc(C)cc(C)c2)CC3)C1=O 96262766 NCUDUBSHIGYWNB-SANMLTNESA-N 425.617 3.736 0 40 IHAB COc1ccc(S(=O)(=O)C2CN(C(=O)c3cccc(OCc4ccccc4)c3)C2)cc1 96377975 KLQUHBZCGFRBCJ-UHFFFAOYSA-N 437.517 3.573 0 40 IHAB O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]2[C@H]2C=Cc3ccccc3N12 103533710 VXCLYNXHHVLCPH-ZJSPYRCASA-N 448.522 3.997 0 40 IHAB O=C(NCc1nc(-c2cccc(Br)c2)no1)c1cccc(N2CCCC2=O)c1 219217101 GWCWGDHQHSQXRS-UHFFFAOYSA-N 441.285 3.556 0 40 IHAB COc1ccc(NC(=O)[C@H](C)N(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1OC 220428532 GVJAAHWHSRTTGP-NSHDSACASA-N 447.340 3.804 0 40 IHAB Cc1ccccc1N(CCCC(=O)NCCOc1cccc2ccccc12)S(C)(=O)=O 223565680 LWMUEXXUQWZDIC-UHFFFAOYSA-N 440.565 3.890 0 40 IHAB CCOc1ccc(-c2noc(CNC(=S)Nc3cccc(N4CCCC4=O)c3)n2)cc1 225832078 QOZMGPLJYJNMLL-UHFFFAOYSA-N 437.525 3.749 0 40 IHAB Cc1noc(C)c1C(=O)N1CC[C@H](Oc2ccc(F)cc2)[C@@H](CC(=O)N2CCCCC2)C1 257233538 GPQRBKWRYUHJSG-RXVVDRJESA-N 443.519 3.743 0 40 IHAB O=C1CO[C@]2(CCCN(C(=O)C3(c4ccccc4)CCOCC3)CC2)CN1c1ccccc1 257294599 QUVVJLLFZUPKKN-SANMLTNESA-N 448.563 3.550 0 40 IHAB Cc1nc2ccc(C(=O)N3CCC[C@@](C)(C(=O)NCCOc4ccc(C)c(C)c4)C3)cc2[nH]1 257294867 QWAPZISKYWQNMW-AREMUKBSSA-N 448.567 3.926 0 40 IHAB O=C1N(Cc2ccncc2)CCO[C@@]12CN(Cc1ccc(Cl)cc1)C[C@@H]2c1cccnc1 306126180 DOYWLJZAPUBVST-ILBGXUMGSA-N 448.954 3.527 0 40 IHAB CCOC(=O)c1ccc(NC(=O)c2ccccc2N2C(=O)[C@H]3CC(C)=CC[C@H]3C2=O)cc1 408678524 FQZHVAHOMQNIKV-QUCCMNQESA-N 432.476 3.961 0 40 IHAB COc1ccc(NC(=O)Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)n3C)c(OC)c1 505867951 ZZIQQAQJMSFSPB-UHFFFAOYSA-N 439.516 3.529 0 40 IHAB O=C1N[C@H](c2ccc3c(c2)CCO3)C(=O)N1c1ccn(-c2cccc(C(F)(F)F)c2)n1 553141525 PVBFALDEPKEYGF-GOSISDBHSA-N 428.370 3.624 0 40 IHAB COC(=O)c1cnc(Nc2cc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nc(C)n2)s1 585262721 YEUPVYQBSRITEL-ZDUSSCGKSA-N 433.534 3.886 0 40 IHAB O=C(C1CC1)N1CCC2(CCCCOC[C@@H]3CCCN3C(=O)c3ccccc3OC2)CC1 643565178 UIUNQVOLEJEKQF-NRFANRHFSA-N 440.584 3.889 0 40 IHAB C=CC(=O)Nc1ccc(C(=O)NC[C@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)cc1 1558194218 NPOCHXLRJXHEER-OAQYLSRUSA-N 435.524 3.903 0 40 IHAB Cc1nc2ccccc2n1[C@H]1C[C@H]2CN(C(=O)NC3CC3)C[C@H]2C[C@@H]1Oc1ccccn1 2332242679 HXUJWYSYJAZMLF-WKZKVMAPSA-N 431.540 3.942 0 40 IHAB O=C(COc1ccc(Cl)cc1)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1 807620 LMEBUDRQJGLULG-UHFFFAOYSA-N 439.899 3.913 0 40 IHAB COC(=O)c1ccccc1NC(=O)CSc1nnc2c(C)cc3ccc(OC)cc3n12 928404 CCSSJRFKMZBHEB-UHFFFAOYSA-N 436.493 3.717 0 40 IHAB Cc1ccc(NC2=NC(=O)C[C@@H](C(=O)Nc3ccc(C(=O)OC(C)C)cc3)S2)cc1 2204175 FENVEUMIENTIPK-SFHVURJKSA-N 425.510 3.999 0 40 IHAB O=C(COC(=O)c1cccc(I)c1)Nc1ccccc1OC(F)F 3283724 JPHCHYMQDLPDBL-UHFFFAOYSA-N 447.175 3.688 0 40 IHAB COC[C@@H](C)n1c(SCC(=O)c2ccc(OC)c(OC)c2)nc2ccccc2c1=O 3370458 DOCPNWUJJOMUAG-CQSZACIVSA-N 428.510 3.596 0 40 IHAB C[C@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)C1=O 3519343 CEUPEPLFCFCJLC-BKMJKUGQSA-N 427.504 3.801 0 40 IHAB CCOC(=O)[C@@](NC(=O)Nc1nc2ccccc2s1)(OCC(F)(F)F)C(F)(F)F 3668629 CMPKDCCZKVNLJH-CQSZACIVSA-N 445.341 3.818 0 40 IHAB biogenic COc1ccc(OC)c(-c2cc(C(=O)Nc3sc4c(c3C(N)=O)CC[C@H](C)C4)no2)c1 4176510 NCHFCLWWJAAMMQ-NSHDSACASA-N 441.509 3.896 0 40 IHAB C[C@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 4895676 SICPRSODMGTJDS-IRXDYDNUSA-N 428.620 3.591 0 40 IHAB Cc1cc(C)c2cc([C@H](c3nnnn3Cc3ccccc3)N3CCCCC3)c(=O)[nH]c2c1 6301948 NLZOKZCBACRRGD-HSZRJFAPSA-N 428.540 3.755 0 40 IHAB Cc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5C=C[C@H](C5)[C@H]4C3=O)c2)cc1C 8449887 HJDBUJZAZMPQSI-SGNKAXLRSA-N 429.472 3.655 0 40 IHAB CCN(c1cccc(C)c1)S(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1 8588007 DMBNPSFZZPYFRM-UHFFFAOYSA-N 436.946 3.967 0 40 IHAB CCN(CC)S(=O)(=O)c1cccc(C(=O)OCC(=O)C23CC4CC(CC(C4)C2)C3)c1 8671009 ZQOTYTYAXQOSLY-UHFFFAOYSA-N 433.570 3.659 0 40 IHAB CCCOc1c(Br)cc(C(=O)OCN2C(=O)c3ccccc3C2=O)cc1OC 8825012 ZNDVVPUSTUWIBX-UHFFFAOYSA-N 448.269 3.657 0 40 IHAB O=C(C[C@H](CNS(=O)(=O)c1ccccc1)c1ccccc1)OCC(=O)c1ccccc1 8869971 JCWHCTLMSYXTAF-OAQYLSRUSA-N 437.517 3.565 0 40 IHAB Cc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)Nc4ccc5c(c4)CCC5)CC3)CC2=O)cc1 9191096 VMCBRRVPKVNQGE-QFIPXVFZSA-N 445.563 3.714 0 40 IHAB Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(CCO)[C@H]3c1cccc(Br)c1 9200102 JKGXVUMCKCQUCC-SFHVURJKSA-N 428.282 3.710 0 40 IHAB CC1CCN(S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)CCc3ccccc3)cc2)CC1 9668684 HGAYIHPIRDAVBM-FQEVSTJZSA-N 444.597 3.624 0 40 IHAB COCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(-n2cccn2)cc1 9712007 IRVILBOBLZBFQA-UHFFFAOYSA-N 446.429 3.618 0 40 IHAB CCNC(=O)NC(=O)[C@@H](Sc1nnc(COc2ccccc2Cl)o1)c1ccccc1 9730416 IZPAODLTTZSYAC-KRWDZBQOSA-N 446.916 3.981 0 40 IHAB COc1ccccc1N1CCN(C(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)CC1 9847290 IBNDCOBMEFYGJV-UHFFFAOYSA-N 449.580 3.594 0 40 IHAB CN(C[C@H]1COc2ccccc2O1)C(=O)CSc1nnc(C2CC2)n1-c1ccccc1 9862534 SECFFKCETAHDLT-SFHVURJKSA-N 436.537 3.535 0 40 IHAB O=C(NC[C@H](c1ccco1)N1CCCC1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 10030610 OHJQYKSUYUVEEP-AZUAARDMSA-N 429.948 3.739 0 40 IHAB CCCCCN1N=C(C)[C@@H](C)n2c1nc1c2c(=O)n(Cc2ccc(Cl)cc2)c(=O)n1C 10367895 CELQUTMLWKJKJG-OAHLLOKOSA-N 442.951 3.546 0 40 IHAB CCN(CC)C(=O)CSc1nnc(SCC(=O)Nc2cc(F)cc(F)c2)s1 10970753 MNDFZMMQCGSRGQ-UHFFFAOYSA-N 432.543 3.508 0 40 IHAB COc1cc(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)ccc1N1CCCC1=O 11446253 QUYUHTHSCLCHJS-UHFFFAOYSA-N 442.472 3.742 0 40 IHAB C[C@H](CCc1ccccc1)NC(=O)CN1C(=O)COc2ccc(C(=O)c3cccs3)cc21 12220689 GWRVLNYGJDCNMM-QGZVFWFLSA-N 448.544 3.842 0 40 IHAB Cc1ccc(-c2c(-c3cc(C)no3)cnn2CCNC(=O)COc2ccccc2F)cn1 12223173 SBJJWNMLZVNOMN-UHFFFAOYSA-N 435.459 3.551 0 40 IHAB Cc1ccc2nc3c(cc(C(=O)NCCCOC(C)C)n3Cc3ccccc3)c(=O)n2c1 12421540 OCXJIKRJECVQCX-UHFFFAOYSA-N 432.524 3.551 0 40 IHAB COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=S)N[C@H]1c1cc(OC)c(OC)c(OC)c1 12557856 DFSXBBGSDXWOTP-FQEVSTJZSA-N 442.537 3.904 0 40 IHAB C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12 12659802 KOXHUKCGEPFOTL-CALCHBBNSA-N 447.564 3.915 0 40 IHAB C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)c1cccc(Cl)c1 12865465 FDTGKMWGBHGXON-GFCCVEGCSA-N 448.397 3.832 0 40 IHAB COc1ccc(C)cc1-n1nnnc1SC[C@@H](O)COc1cc(Cl)ccc1Cl 12900890 GJSYKACGUAMGLC-ZDUSSCGKSA-N 441.340 3.818 0 40 IHAB Cc1cc(C)c2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=S)NCc3ccco3)cc2c1 13471751 GXLMGPHTQCRKRT-HXUWFJFHSA-N 425.554 3.794 0 40 IHAB Cc1ccc(S(=O)(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)C[C@@H]2CCCO2)cc1 13557206 RCTMZAPACOJHKZ-FQEVSTJZSA-N 426.538 3.515 0 40 IHAB CC(=O)N1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccccn3)=NN12 13619213 BOWWMCYNEFKBJB-LJQANCHMSA-N 441.329 3.726 0 40 IHAB O=S(=O)(c1ccc2c(c1)OCCO2)c1nc(-c2ccco2)oc1NCc1ccco1 13691428 FQGOZMWKIKTTKU-UHFFFAOYSA-N 428.422 3.744 0 40 IHAB COc1ccc(Cl)cc1N1C(=O)c2ccc(C(=O)OCC(=O)C(C)(C)C)cc2C1=O 13856066 LDKIUZYDILMLRS-UHFFFAOYSA-N 429.856 3.921 0 40 IHAB COc1ccc(NC(=O)CCc2nc3ccccc3n(-c3ccc(OC)cc3)c2=O)cc1 14121265 IPLRLTNCPHVDNU-UHFFFAOYSA-N 429.476 3.974 0 40 IHAB Cc1ccc(-n2ncc3c(=O)n(CC(=O)Nc4ccc(C(F)(F)F)cc4)cnc32)c(C)c1 16047561 ZDDKFOORFNUETI-UHFFFAOYSA-N 441.413 3.857 0 40 IHAB O=C(Cn1c(SC(F)F)nc2ccccc21)NCc1ccc(N2CCCC2=O)cc1 16515920 BEAZNBUXVATVJQ-UHFFFAOYSA-N 430.480 3.794 0 40 IHAB C[C@H]1S[C@]2(C(=O)Nc3ccccc32)N(c2ccc(C(=O)NCc3ccccc3)cc2)C1=O 16608210 GVQWJQUIHKMDJM-PUAOIOHZSA-N 443.528 3.890 0 40 IHAB CC(=O)Nc1cccc(NC(=O)C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)c1 16890527 YZZZABVKKLNWCM-UHFFFAOYSA-N 442.928 3.719 0 40 IHAB COc1ccc(Cl)cc1COC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2C(C)C 18600225 RIZVZNZNZTYFNS-HSZRJFAPSA-N 442.899 3.779 0 40 IHAB C[C@H](Oc1ccccc1F)C(=O)N1CCC[C@@H](c2nc3ccc(F)cc3cc2C(N)=O)C1 19078331 LLKZMRKCEMMCNZ-LSDHHAIUSA-N 439.462 3.785 0 40 IHAB COc1ccc(C(=O)N2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccncc2C)cn1 19239756 IEVZJAPPZJELSW-FQEVSTJZSA-N 432.528 3.684 0 40 IHAB CCn1cc(NC(=O)c2cc3c(C(F)(F)F)nn(-c4ccccc4)c3s2)c(C(N)=O)n1 19647003 BGNLOLHEEDBILW-UHFFFAOYSA-N 448.430 3.673 0 40 IHAB Cc1cnc(C(=O)N2CCC[C@H](c3nc(N(C)C)ncc3-c3ccc(Cl)cc3)C2)cn1 19694020 RXVOBOPXKYQPMF-KRWDZBQOSA-N 436.947 3.981 0 40 IHAB COc1ccccc1C(=O)N1CC[C@@](Cc2cc(C3CCCCC3)no2)(C(=O)N(C)C)C1 19739052 HQILKMYNSUMITM-VWLOTQADSA-N 439.556 3.894 0 40 IHAB Cc1[nH]c2c(C)c(Cl)ccc2c(=O)c1CN1CCN(Cc2ccc3c(c2)OCO3)CC1 19793457 RWLCIERLDMIWBR-UHFFFAOYSA-N 439.943 3.845 0 40 IHAB COc1cc(NC(=S)NC(=O)COc2ccccc2C)ccc1-c1ccc(CO)o1 20153638 KBAPQFKKRAFTLC-UHFFFAOYSA-N 426.494 3.648 0 40 IHAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 20245546 FBUWGWSDFMBDBI-UHFFFAOYSA-N 425.510 3.974 0 40 IHAB O=C(Nc1nc(CN2CCc3ccccc3C2)cs1)c1ccc(N2C(=O)CCC2=O)cc1 21681498 HNFNNDXTMQRPEQ-UHFFFAOYSA-N 446.532 3.607 0 40 IHAB CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3ccccc3)n2CCOC)c1C 24752329 DCHRWNIODODRKS-UHFFFAOYSA-N 442.541 3.688 0 40 IHAB Cc1ccc(CN2C[C@H](C(=O)OCC(=O)Nc3cccc(Cl)c3Cl)CC2=O)cc1 28609561 VNJPFFMQDHVURZ-OAHLLOKOSA-N 435.307 3.832 0 40 IHAB COCCn1nnnc1[C@@H](c1ccccc1Cl)N1CCN(c2cc(C)ccc2C)CC1 35290574 KUONGTZORWTSLS-JOCHJYFZSA-N 440.979 3.501 0 40 IHAB COc1ccc(-n2nnc(-c3nc(C)c(C(=O)NCCc4ccccc4)s3)c2C)cc1 38654936 FLEGAJMXZZSXKG-UHFFFAOYSA-N 433.537 3.989 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccc(F)c(Cl)c2)cc1C 39986239 GGZSLPRFMRCPEF-UHFFFAOYSA-N 428.913 3.836 0 40 IHAB CC(C)(C)c1cc(NC(=O)COc2cccc3ccccc23)n([C@H]2CCS(=O)(=O)C2)n1 40039738 OHHKFIQLGCYRPA-KRWDZBQOSA-N 441.553 3.711 0 40 IHAB COCc1nn2c(ncc3c(=O)n(NC(=O)c4ccccc4C)ccc32)c1-c1ccccc1 40396506 HYIYSHSTOFNCMV-UHFFFAOYSA-N 439.475 3.550 0 40 IHAB Cc1ccccc1CSCCNC(=O)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 44847346 TVYFDKIJVCTWNS-UHFFFAOYSA-N 446.638 3.974 0 40 IHAB Cc1ccc([C@H](C)NC(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c(C)c1 44935120 APIAPGCFGYCOCB-MGPUTAFESA-N 436.961 3.751 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)N3CCO[C@@H]4CCCC[C@@H]43)c2)c1 48273858 WFASWMWVVWLQDL-LEWJYISDSA-N 428.554 3.888 0 40 IHAB CSc1cccc(NC(=O)Cn2nc3c(Oc4cc(C)cc(C)c4)nccn3c2=O)c1 49008664 ABVHVPXIBOFDEY-UHFFFAOYSA-N 435.509 3.661 0 40 IHAB CC(=O)c1ccc(NC(=O)Cn2c(=O)n(-c3ccc(C)c(C)c3)c(=O)c3sccc32)cc1 57491236 LURJSJXLMSCUBL-UHFFFAOYSA-N 447.516 3.672 0 40 IHAB CC[C@H]1CCCCN1C(=O)Cn1c(=O)n(-c2ccc(C)cc2C)c(=O)c2sccc21 57492923 LRDCBTFUICZKMJ-KRWDZBQOSA-N 425.554 3.622 0 40 IHAB CC(C)(C)OC(=O)NC[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 65739592 PKJSHTUXTOKIBY-IBGZPJMESA-N 428.485 3.550 0 40 IHAB in-vitro COc1cccc(S(=O)(=O)N2CC[C@@H](c3c(C(=O)N(C)C)sc4ccccc34)C2)c1 72352326 AZBKYDYMQBBWLD-OAHLLOKOSA-N 444.578 3.790 0 40 IHAB Cc1nc(CC(=O)N2CCC[C@@H](c3nc(C)c4c(n3)N(CC3CC3)CCC4)C2)cs1 72373842 ZWVDOJKRWKHBEA-GOSISDBHSA-N 425.602 3.661 0 40 IHAB CNC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CCCN(C(=O)CCn2nccc2C)C1 72391261 FAKHSAOFKJJWNH-MHZLTWQESA-N 444.579 3.846 0 40 IHAB CCCn1c(=O)c2ccccc2n2c(S[C@H](Cc3ccccc3)C(=O)OCC)nnc12 78597204 ICGBDEYRVINBAD-LJQANCHMSA-N 436.537 3.721 0 40 IHAB O=C(NC[C@H](O)c1cc2ccccc2s1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 84595006 KVNHLXSVQYEYTD-MJGOQNOKSA-N 426.513 3.742 0 40 IHAB O=C(NC[C@@H]1CCCN2CCCC[C@H]12)c1ccc(NC(=O)c2cccnc2Cl)cc1 85876294 QXZWCLRZMSZBRE-FXAWDEMLSA-N 426.948 3.982 0 40 IHAB biogenic CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1CC(=O)Nc1ccc(OC)c(OC)c1 95432473 RNMXDBLEJUHJQU-GCJKJVERSA-N 440.588 3.578 0 40 IHAB C[C@H](c1ccccn1)N1CCN(C(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)CC1 95943197 JJQHLOXLMLPBKZ-HXUWFJFHSA-N 449.576 3.575 0 40 IHAB COc1ccc(OCCN2CCN([C@@H](C)c3nc(-c4ccc(C)c(F)c4)no3)CC2)cc1 95947597 QNGPHFRDHJOEGY-SFHVURJKSA-N 440.519 3.950 0 40 IHAB Cn1nc(C(F)(F)F)c(CN2CCC(c3nc(-c4ccccn4)no3)CC2)c1Cl 96006926 CVBWIZGQYJPDAB-UHFFFAOYSA-N 426.830 3.917 0 40 IHAB Cc1cccc(OC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1C 102077377 ARPHJUDYPUBJMP-ZLDRXPSISA-N 441.527 3.873 0 40 IHAB Cc1ccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)c(C)c1 102086415 FVJQOGODHOAVTE-OMIGAHOISA-N 440.543 3.906 0 40 IHAB CCn1cc(NC(=O)[C@H]2[C@@H]3CC[C@H](C3=C(C)C)[C@@H]2C(=O)O)c(C(=O)NC2CCCCC2)n1 102251850 UWBBAKSRUFMVAU-YKCBXCCJSA-N 442.560 3.597 0 40 IHAB CC[C@@H](C(=O)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21)N(c1ccccc1)S(C)(=O)=O 219086794 KDAFFMNLAXPSJK-UXHICEINSA-N 446.569 3.658 0 40 IHAB O=C(C1CC1)N1CCc2cc(S(=O)(=O)NCc3ccc(Cl)cc3Cl)ccc21 222972040 RUXUNKBZDDJPGB-UHFFFAOYSA-N 425.337 3.771 0 40 IHAB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2C(=O)OC)o1 223036637 JMOGCBJXTHQBAE-NHCUHLMSSA-N 437.521 3.747 0 40 IHAB CN(C)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Br)s1 223211695 NFRANPVOBVNHQA-HZPDHXFCSA-N 425.421 3.830 0 40 IHAB COc1ccc(CN(C(=O)Cc2ccccc2)[C@@H](C(=O)NCCCO)c2ccccc2)cc1 223558609 NBDJHBPJPQLCQG-AREMUKBSSA-N 446.547 3.506 0 40 IHAB CC[C@@H](NS(=O)(=O)c1nnc(NC(=O)c2ccccc2C)s1)c1ccccc1C 224643358 CRDQACIPGULOOE-QGZVFWFLSA-N 430.555 3.837 0 40 IHAB C[C@H]1CCC[C@@H](C)N1C(=O)c1c[nH]nc1C1CCN(C(=O)Cc2ccc(F)cc2)CC1 257208133 BKWZWPNRNKLGQZ-CALCHBBNSA-N 426.536 3.901 0 40 IHAB COc1ccc(C(=O)N2CCNC(=O)[C@@H]2Cc2ccccc2-c2ccc(F)cc2)c(OC)c1 257287059 POIADKFDMNJTLV-QHCPKHFHSA-N 448.494 3.693 0 40 IHAB CCOC(=O)[C@H](c1cccc(Nc2ccn[nH]2)n1)C1CCN(C(=O)OC(C)(C)C)CC1 257321202 WAOWQQZUDZFHOA-IBGZPJMESA-N 429.521 3.842 0 40 IHAB CCc1cccc(CC)c1NC(=O)COC(=O)CCS(=O)(=O)c1ccc(C)c(C)c1 408645532 LWXZOXQATMTDQL-UHFFFAOYSA-N 431.554 3.774 0 40 IHAB COc1ccc(N2C[C@@H](C(=O)O[C@@H](C)C(=O)c3ccc(Cl)cc3)CC2=O)c(OC)c1 408663975 YLJZXOJWNUFTJP-ZFWWWQNUSA-N 431.872 3.525 0 40 IHAB COCCCNC(=O)c1nc(-c2cccc(C)c2)n(-c2ccc(Br)cc2)n1 408692310 JNRLLRBFFDZXAV-UHFFFAOYSA-N 429.318 3.772 0 40 IHAB COc1cc2c(cc1OC)[C@@H](NC(=O)COc1ccc3c(C)c(C)c(=O)oc3c1C)CC2 524729173 GZYZYDBVADMVHC-IBGZPJMESA-N 437.492 3.918 0 40 IHAB biogenic O=C(NCCCn1ccc2ccc(Cl)cc21)c1c(-n2cnnn2)sc2c1CCC2 524734235 LNMRATQVBGOCSV-UHFFFAOYSA-N 426.933 3.641 0 40 IHAB COC(=O)Nc1ccc(S(=O)(=O)NC[C@H](O)c2ccc(-c3cccs3)s2)cc1 618256098 NCCROXZQLULZLT-AWEZNQCLSA-N 438.552 3.667 0 40 IHAB CC(=O)N1CCC(N2CCC3(CC2)C[C@@H](Cc2ccccc2)N(CC(C)C)C3=O)CC1 1615154370 FYIUPBQOSRYIPM-XMMPIXPASA-N 425.617 3.579 0 40 IHAB Cc1ccc(C)c2[nH]c(=O)c(CN(C[C@H]3CCCO3)S(=O)(=O)c3ccccc3F)cc12 914780 VPZRGWVXLVSNII-GOSISDBHSA-N 444.528 3.654 0 40 IHAB COc1ccc(NC2=NC(=O)C[C@H](C(=O)Nc3ccc(C(=O)OC(C)C)cc3)S2)cc1 2209907 ZTEWYTIRCJVDNQ-GOSISDBHSA-N 441.509 3.699 0 40 IHAB CCOc1cc(N2CCOCC2)c(OCC)cc1NS(=O)(=O)c1ccc(C)c(C)c1 2636391 IECUCZYHLCEQTP-UHFFFAOYSA-N 434.558 3.738 0 40 IHAB O=C(Cn1cc(C(=O)c2ccccc2)c(=O)c2cc3c(cc21)OCO3)Nc1ccc(F)cc1 2690357 OHQBOZPCYDMUDO-UHFFFAOYSA-N 444.418 3.739 0 40 IHAB COC(=O)C1=C(C)N=c2s/c(=C\c3cccs3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 6237756 GKTLXYHFVCTQGI-SQWSFHKJSA-N 438.574 3.593 0 40 IHAB CCC(C)(C)n1nnnc1[C@H](c1cc2ccc(OC)cc2[nH]c1=O)N1CCc2ccccc21 8582483 JCTHUVXFGJKLGK-QFIPXVFZSA-N 444.539 3.820 0 40 IHAB Cc1cccc(C(=O)Nc2ccc(C(=O)OCc3cc(=O)n4c(C)csc4n3)cc2)c1 8606896 VGGGYGACEYEQKN-UHFFFAOYSA-N 433.489 3.982 0 40 IHAB C[C@H](NC(=O)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)c1ccc(-c2ccccc2)cc1 8894724 OPIYTSIOYLYJMK-SFHVURJKSA-N 441.487 3.522 0 40 IHAB C[C@H](Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)C(=O)N1CCc2ccccc21 8901473 MWLSPXSVVXFGLY-WMZOPIPTSA-N 435.549 3.645 0 40 IHAB COc1ccccc1NC(=O)Cn1c(=O)c(=O)n(Cc2ccccc2)c2ccc(Cl)cc21 9124886 KECZDYNNPLSSEP-UHFFFAOYSA-N 449.894 3.512 0 40 IHAB COC(=O)/C=C1\C(=O)N(c2nc3ccc(C)cc3s2)C(=S)N1c1ccc(F)cc1 9157967 AEYKDWUSAJMWGK-XNTDXEJSSA-N 427.482 3.939 0 40 IHAB CCc1nnc2n1N[C@H](c1ccc(Cl)cc1)[C@H](C(=O)Nc1ccc(OC)cc1)S2 9197994 MCOHGZINXYJGQD-QZTJIDSGSA-N 429.933 3.900 0 40 IHAB CC(C)C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3Cl)cc2)CC1 9232929 JTDPHKWVSCOHKX-UHFFFAOYSA-N 444.988 3.771 0 40 IHAB COc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2cc(Cl)ccc2C)cc1 9236859 FBEAFPRVGLIXEQ-MSOLQXFVSA-N 429.933 3.955 0 40 IHAB COc1ccccc1N1CCN(c2nc(Nc3ccc(C)cc3)c3cnn(C)c3n2)CC1 9273276 CVKGQMSHKQOJPJ-UHFFFAOYSA-N 429.528 3.751 0 40 IHAB CCN(Cc1ccccc1)C(=O)COC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1 9335295 IJCLLWZSCZLHFF-UHFFFAOYSA-N 446.503 3.801 0 40 IHAB COc1cc2c(cc1OC)CN(C(=O)Nc1ccccc1C(=O)NCc1ccncc1)CC2 9343706 VHYLRBQMOOFYAQ-UHFFFAOYSA-N 446.507 3.619 0 40 IHAB O=C(Cn1nnc(-c2ccc(F)cc2)n1)N1N=C(c2cccs2)C[C@H]1c1cccs1 9513057 KODKSVHFJYAXEY-INIZCTEOSA-N 438.513 3.980 0 40 IHAB Cc1cccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(C/C=C/c3ccccc3)c(=O)n2C)c1 9518992 TUECLPSDDRFPEM-YRVHBARZSA-N 441.535 3.706 0 40 IHAB COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC 9540083 GLZULZOMBWCVSO-GOSISDBHSA-N 435.402 3.989 0 40 IHAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCc1ccc(Oc3ccc(F)cc3)cc1)C2=O 9579730 WCIGQJOUYMYJNV-VOIUYBSRSA-N 439.487 3.735 0 40 IHAB Cc1ccc2[nH]c(SCC(=O)Nc3cccc(S(=O)(=O)N4CCCCC4)c3)nc2c1 9632002 NQRJDCSTKJJCJS-UHFFFAOYSA-N 444.582 3.777 0 40 IHAB CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(F)c3)C(=O)N2C2CC2)cc1 9846544 SGVAGDQNNBFRJL-HXUWFJFHSA-N 425.460 3.943 0 40 IHAB COc1ccc(CN(C)C(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)cc1 10009673 LIBUGNIOPRZYMN-UHFFFAOYSA-N 430.551 3.854 0 40 IHAB Cc1ccccc1C(=O)N[C@H](C(=O)Nc1nc2cc3c(cc2s1)OCCO3)C(C)C 11751322 AYHVSOAYCHWGBG-IBGZPJMESA-N 425.510 3.769 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2cccnc2)CC3)cc1Cl 11906513 YCKJLOBMXPPMTI-UHFFFAOYSA-N 443.912 3.747 0 40 IHAB O=C(C1CCCCC1)N1CCC[C@@H](c2nc(N3CCOCC3)ncc2-c2cccnc2)C1 12089323 ABHDRSBPPZXNDJ-OAQYLSRUSA-N 435.572 3.662 0 40 IHAB CCOc1ccc(N2C(=O)[C@H]3Sc4[nH]c(=O)sc4[C@H](c4ccccc4)[C@H]3C2=O)cc1 12139911 HOWMAEFMTWUHGU-NUJGCVRESA-N 438.530 3.631 0 40 IHAB Cc1ccc(COc2cn(CC(=O)Nc3cccc(C(F)(F)F)c3)c(CO)cc2=O)cc1 12231215 QTFFWLMWDXJZDX-UHFFFAOYSA-N 446.425 3.886 0 40 IHAB O=C(C[C@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21)Nc1cccc(Cl)c1 12233127 SHVNYXMEXUPSKK-INIZCTEOSA-N 437.912 3.911 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)c1 12544767 ZHVXWRYAWIYSPO-UHFFFAOYSA-N 427.492 3.875 0 40 IHAB O=C(/C=C/c1ccc(Br)s1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 12768124 BPFPWYIRRJPRBT-VQHVLOKHSA-N 441.372 3.947 0 40 IHAB O=C(Nc1nc(CN2CCCCC2)cs1)c1cccc(I)c1 12791152 MWFWMHQJNWMVQY-UHFFFAOYSA-N 427.311 3.986 0 40 IHAB CCc1ccccc1NC(=O)CN1C(=O)C(C)(C)Oc2ccc(C(=O)NC(C)(C)C)cc21 12875116 TXNCNHYCRXHZLT-UHFFFAOYSA-N 437.540 3.920 0 40 IHAB Cc1ccccc1N(CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)S(C)(=O)=O 12916699 HHCQEHAAPZQVCW-UHFFFAOYSA-N 430.526 3.831 0 40 IHAB C[C@H]1Cc2cc(C(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)ccc2N1S(C)(=O)=O 13114765 AYPQBYGQMIMGFM-AWEZNQCLSA-N 428.510 3.691 0 40 IHAB CC(=O)Nc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2C[C@H]2CCCO2)cc1 13131254 PHPVLABXVGPEDB-GOSISDBHSA-N 437.521 3.509 0 40 IHAB O=C(CCCCCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O)NCc1ccc(Cl)cc1 13591335 HTEBYCCIPOPGEQ-NRFANRHFSA-N 439.943 3.906 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)N2CCCc3ccccc32)c2ccccc2)cc1 13675287 KKZAJTSISNQLBW-UHFFFAOYSA-N 436.533 3.870 0 40 IHAB CC1(C)S[C@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)NCCC(=O)Nc1ccc2[nH]ccc2c1 13730402 NUNSYMMDKWBLQK-OFNKIYASSA-N 448.548 3.661 0 40 IHAB CCn1c(CC(=O)Nc2cc(C)cc(C)c2)nnc1SCC(=O)NC1CCCCC1 13955987 ZIOVPTODJRSMCV-UHFFFAOYSA-N 429.590 3.637 0 40 IHAB C[C@@H]1CCc2sc(-c3nn(CN4CCN(c5cnccn5)CC4)c(=S)o3)cc2C1 14250405 AWXQYXZZHXHYSQ-CQSZACIVSA-N 428.587 3.629 0 40 IHAB CNC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1c(C)cc(C)cc1C 14414714 QWVDGGLJBVQEIO-UHFFFAOYSA-N 429.369 3.856 0 40 IHAB CN(CC(=O)Nc1ccc(Br)cc1F)S(=O)(=O)c1ccc(Cl)cc1 15008257 QLLQMGQWPPTLPQ-UHFFFAOYSA-N 435.702 3.501 0 40 IHAB COC(=O)c1ccc(NC(=O)c2cccn(Cc3ccc(Br)cc3)c2=O)cc1 15882893 WUVXOJFTAHQIRC-UHFFFAOYSA-N 441.281 3.698 0 40 IHAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCCCN3CCCCCC3)c2)cc1 16259117 NOMWKUXPYNKGRV-UHFFFAOYSA-N 443.613 3.816 0 40 IHAB CCc1ccc(OCc2nnc(NC(=O)c3cc(OC)c(OC)c(OC)c3)s2)cc1 17251142 AJQUROUGABNRTL-UHFFFAOYSA-N 429.498 3.958 0 40 IHAB Cn1c(CCC(=O)N2CCC[C@@H](c3nc(-c4cccs4)cc(=O)[nH]3)C2)nc2ccccc21 19289906 UYJWLWSUWSWMGC-MRXNPFEDSA-N 447.564 3.724 0 40 IHAB CCN(CC)C[C@@H]1CCCN(C(=O)c2cc(-c3ccccn3)c(N3CCOCC3)s2)C1 19526351 CRLDONAKTGYCMS-IBGZPJMESA-N 442.629 3.841 0 40 IHAB Cc1nc([C@@H]2CCCCN2Cc2ccccn2)nc2c1CCC(=O)N2Cc1ccccn1 19695810 XYRWFBREJOKCAB-QFIPXVFZSA-N 428.540 3.782 0 40 IHAB CN(CCO)C(=O)c1sc2ncccc2c1[C@H]1CCN(Cc2cccc3cccnc23)C1 19702215 JZHXRDUQFQKBNU-SFHVURJKSA-N 446.576 3.898 0 40 IHAB CNC(=O)[C@@]1(Cc2cc(-c3ccccc3C)no2)CCN(C(=O)c2sc(C)nc2C)C1 19703584 LDLGOLSAIOWWSD-HSZRJFAPSA-N 438.553 3.544 0 40 IHAB CCN(C(=O)CCn1cnnn1)[C@H]1CCO[C@@H](c2ccccc2-c2ccc(OC)cc2)C1 19711929 RPNLBNIYIYZKHE-WMZHIEFXSA-N 435.528 3.508 0 40 IHAB Cc1nc(C2CCN(CCCOc3ccc(F)cc3)CC2)ncc1C(=O)N1CCCC1 19766528 HSZAPDMQEZRLCY-UHFFFAOYSA-N 426.536 3.809 0 40 IHAB CC(C)NC(=O)[C@@H](C)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)Cc3ccccc3)[C@@H](C)[C@@H]2[C@H]1O 20466848 BEFZKQDAAQXOFJ-UXSJUTMFSA-N 428.617 3.698 0 40 IHAB biogenic,in-vitro O=C(CS[C@H]1CCc2ccccc2N=C1O)Nc1ccc(CN2CCOCC2)cc1 20676717 GNJAEMKVAXSTJF-NRFANRHFSA-N 425.554 3.794 0 40 IHAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)COC(=O)c2n[nH]c3ccccc23)cc1 20893727 WPWPIUDRTLMTPO-UHFFFAOYSA-N 442.475 3.597 0 40 IHAB Cc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccccc4C(F)(F)F)ncn3n2)cc1 21024749 AZCUNEGWEABIDW-UHFFFAOYSA-N 427.386 3.524 0 40 IHAB CCc1nc2sc([C@H](c3ccco3)N3CCN(c4ccc(F)cc4)CC3)c(O)n2n1 22854939 KSWPMYRFUJLFCH-SFHVURJKSA-N 427.505 3.703 0 40 IHAB Cc1cc(-c2cc(C(=O)NCCCN3CCOCC3)c3cnn(C(C)C)c3n2)c(C)s1 23403920 LGEKQFYKNOEMEY-UHFFFAOYSA-N 441.601 3.810 0 40 IHAB C[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)N1CCC[C@@H]1c1cccs1 26483652 YXBFPFFDICREKE-CZUORRHYSA-N 442.006 3.816 0 40 IHAB CNC(=O)c1ccc(CN(C(=O)CCC(=O)c2ccc(Br)cc2)C2CC2)cc1 26899104 IQCZBLICTNPMMF-UHFFFAOYSA-N 443.341 3.963 0 40 IHAB O=S(=O)(NCc1ccc(N2CCCC2)nc1)c1ccc(Br)cc1Cl 28040986 WHQHBKACIOROAZ-UHFFFAOYSA-N 430.755 3.576 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)NCCN(C(C)C)C(C)C)c2)c1 28638025 JOAZMLSDPPVRJH-UHFFFAOYSA-N 431.602 3.953 0 40 IHAB Cc1nc(NC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)sc1-c1nccn1C(F)F 29195410 NXVYEKDWNDKIEL-LBPRGKRZSA-N 435.456 3.794 0 40 IHAB C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)cn1C)c1ccc(Cl)cc1Cl 32193222 LXJKVDQEBLPDEP-LBPRGKRZSA-N 430.357 3.607 0 40 IHAB COc1ccc(-c2nc(C(=O)N3CCC[C@H](c4nnc5ccccn45)C3)cs2)cc1OC 32830608 HNNSLOYCVWAIQW-INIZCTEOSA-N 449.536 3.890 0 40 IHAB Cc1ccn2c(=O)cc(COc3ccccc3NC(=O)[C@H](C)Oc3ccccc3)nc2c1 33067992 JPXKCCUCEJAHFD-SFHVURJKSA-N 429.476 3.988 0 40 IHAB Cc1ccc(NC(=O)COc2ccc(F)cc2)cc1OCc1cc(=O)n2ccccc2n1 33268548 FDJNZYWJCUBQII-UHFFFAOYSA-N 433.439 3.739 0 40 IHAB O=C(NCCN1C(=O)S/C(=C/c2ccc(OC(F)F)cc2)C1=O)c1ccccc1F 33720452 GEDIHVJIBYMDMO-LFIBNONCSA-N 436.411 3.893 0 40 IHAB Cc1cc2nc(COc3ccc(NC(=O)COc4c(C)cccc4C)cc3)cc(=O)n2o1 35378604 XKYPZZDZUPVORC-UHFFFAOYSA-N 433.464 3.809 0 40 IHAB C[C@]1(c2ccccc2C(F)(F)F)NC(=O)N(CC(=O)NC2CCCCCCC2)C1=O 40116667 LGENARJXTLJVPA-HXUWFJFHSA-N 425.451 3.702 0 40 IHAB O=C(NCCCN1CCCCC1)C1CCN(Cc2nnc(-c3cccc(Cl)c3)o2)CC1 41273684 VERBZCLCUOJEPD-UHFFFAOYSA-N 445.995 3.594 0 40 IHAB CN(C(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1)C1CCCC1 44842097 JCUGKACPMOAOIL-UHFFFAOYSA-N 433.401 3.936 0 40 IHAB Cc1ccc(-c2noc([C@H](C)N3CCN(Cc4nccn4CC(F)(F)F)CC3)n2)cc1 58296573 YCDGCGGIGCZWTM-INIZCTEOSA-N 434.466 3.683 0 40 IHAB C[C@H](Cc1ccc(N(C)C)cc1)NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 62580358 FIKQBSCZRQKJHA-MRXNPFEDSA-N 443.594 3.976 0 40 IHAB Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)Cc3cc(Cl)c4c(c3)OCCCO4)C2)n1 65504799 JXYPCGAVVFOCME-QGZVFWFLSA-N 443.931 3.625 0 40 IHAB O=C(NCc1ccc(F)cc1Cl)c1cn(-c2ccc(-c3nc(C4CC4)no3)cn2)cn1 71768279 LCJUTASAWPWSSA-UHFFFAOYSA-N 438.850 3.917 0 40 IHAB Cc1nc(CN(C)C(=O)Cc2ccccc2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 72380097 JBTBRQMYPQBGSA-UHFFFAOYSA-N 432.499 3.605 0 40 IHAB CNC(=O)c1cccc(-c2noc(C3CN(C(=O)NCc4cccc5ccccc45)C3)n2)c1 77191208 SDBAJXQJANUSJF-UHFFFAOYSA-N 441.491 3.558 0 40 IHAB Cc1ccnc(-n2cc(S(=O)(=O)Nc3ccc(-n4cnc5ccccc54)cc3)cn2)c1 89701866 QIWIQIVYDCIPNP-UHFFFAOYSA-N 430.493 3.715 0 40 IHAB COc1cc(/C=C2/N=C3CCCCCN3C2=O)ccc1OCC(=O)N[C@H]1CCCC[C@H]1C 96831500 JTUWAQPSQSJEBM-NGSCWYRNSA-N 439.556 3.925 0 40 IHAB Cc1ccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)C(=O)C(F)(F)F)cc1Cl 100395239 BTNBWUOESNLRPD-JDEPPNLYSA-N 438.833 3.554 0 40 IHAB O=C(Nc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1)Nc1nnc(C(F)(F)F)s1 100848440 ZYOHRUPNVHUMDI-WTTBSCSTSA-N 449.414 3.512 0 40 IHAB COCCn1/c(=N/C(=O)c2ccc(N(C)C)cc2)sc2cc(Br)ccc21 100872576 CMYWWBQQTBUBKH-VZCXRCSSSA-N 434.359 3.919 0 40 IHAB COc1cccc([C@H]2[C@H]3C(=O)N(c4cccc(OC)c4)C(=O)[C@@H]3ON2c2ccccc2)c1 102706791 NWCVKNREMOYHHI-XPWALMASSA-N 430.460 3.755 0 40 IHAB CCOc1ccc(CCNC(=O)C23C[C@H]4C[C@@H](CC(NC(C)=O)(C4)C2)C3)cc1OCC 102892958 QRYFZIYDZUWDNP-JSZXIJHASA-N 428.573 3.618 0 40 IHAB C[C@H](C(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 104011447 UPNLMSNJAIQOAC-LKYTVXRUSA-N 440.543 3.740 0 40 IHAB COc1ccccc1NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 107733918 UIMCYVFAEMFUOM-UHFFFAOYSA-N 430.457 3.653 0 40 IHAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)Sc1nnc([C@H]2COc3ccccc3O2)n1C 108876565 LRCCTNVDOZQGFJ-BXTJHSDWSA-N 436.537 3.786 0 40 IHAB CC[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 216274285 LVUSPPWJONUUJD-NRFANRHFSA-N 443.569 3.614 0 40 IHAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCc1nc(-c2ccc(OC)cc2OC)no1 219381112 RRVBGGIKANVJMQ-GOSISDBHSA-N 425.485 3.844 0 40 IHAB CC(=O)c1cccc(NC(=O)[C@H](C)N(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1 220196984 SPFSGFYWQGJIJO-LBPRGKRZSA-N 428.432 3.701 0 40 IHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](CC)N(c1cccc(C)c1)S(C)(=O)=O 220507364 CMGXZWCUBKDAOJ-LAUBAEHRSA-N 445.585 3.707 0 40 IHAB Cc1cc(C)cc(N(CCCC(=O)Nc2ccc(N3CCCC3=O)cc2)S(C)(=O)=O)c1 222574669 QMTCBLFUYGDSPT-UHFFFAOYSA-N 443.569 3.615 0 40 IHAB CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccc(C)cc1C 223031626 AXHCCXPPJATTDG-KRWDZBQOSA-N 447.373 3.998 0 40 IHAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1C(C)C 223179909 JNJLZLDDQLLJLD-DHIUTWEWSA-N 441.645 3.776 0 40 IHAB COC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)N2CCCCCC2)ccc1C 223823238 JQYGFDJBQMXXQG-UHFFFAOYSA-N 430.526 3.599 0 40 IHAB COc1ccc(CN(C)C(=O)c2cccc(NS(=O)(=O)c3ccc(OC)cc3)c2)cc1 224044554 BFYNCQYIEQNWTQ-UHFFFAOYSA-N 440.521 3.777 0 40 IHAB CCOc1ccc(CNC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(F)cc3)c2)cc1 224174275 YPPPPSCODRSLJS-UHFFFAOYSA-N 442.512 3.980 0 40 IHAB CCOC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(OCC)cc1 224587341 ZMVRTMSKDCVIIB-UHFFFAOYSA-N 431.432 3.863 0 40 IHAB COc1ccc(C(=O)Nc2ccccc2F)cc1CN(C)S(=O)(=O)c1ccccc1 224768043 LZHPHAWTKOIHCW-UHFFFAOYSA-N 428.485 3.907 0 40 IHAB CC[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 224878450 WOVQSRPMKBMFCO-MRXNPFEDSA-N 434.411 3.908 0 40 IHAB CCC1(CC)C[C@H](NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c2ccccc2O1 225788838 FSNDUZGPRQCFJU-FQEVSTJZSA-N 430.570 3.814 0 40 IHAB CCc1ccc(CC)c(CNC(=O)CN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)c1 225870794 ADXUUVPFKQRASZ-UHFFFAOYSA-N 438.977 3.556 0 40 IHAB CC[C@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O 245228483 ZVVCGFNPWQUFIO-WIBJQZJXSA-N 443.544 3.571 0 40 IHAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@H]2[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@]2(O)[C@@H](C)OC(C)=O)C1 257350617 YSWRIYFDFKLCHS-AWHZDPLESA-N 436.589 3.614 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccccc2F)C1 408595857 VLIHPHNQHYYGRX-CYBMUJFWSA-N 426.897 3.527 0 40 IHAB COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)cc3F)cc2)c1 408611501 XERLGOGMXKZVFT-UHFFFAOYSA-N 448.447 3.792 0 40 IHAB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)c1)Nc1ccccc1Cl 408653301 FDMNAMROHYJXFY-CALCHBBNSA-N 440.883 3.815 0 40 IHAB Cc1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3C(=O)c3ccccc3)C2)s1 408687794 PIXQVAMMPHOECK-CQSZACIVSA-N 440.912 3.723 0 40 IHAB COc1ccc([C@@H]2[C@H](NC(=O)c3cccc(C)c3)C(=O)N/[N+]2=C\c2ccc(Cl)cc2)cc1 409056315 CNYUGAOHTYKHHS-LMOLPZMTSA-O 448.930 3.673 0 40 IHAB CCOc1ccc(NC(=O)CSc2nnc(COc3ccc(C)cc3OC)n2C)cc1 409332905 SEUVHIGLWVZTST-UHFFFAOYSA-N 442.541 3.841 0 40 IHAB Brc1cc(NCc2cnc(-c3ccccc3)nc2)cnc1N1CCOCC1 541214308 OMOWKURCMOUBPY-UHFFFAOYSA-N 426.318 3.750 0 40 IHAB CC(C)n1cnc([C@@H]2CN(C(=O)c3cccs3)C[C@]23CCCN(CC2CC2)C3=O)c1 585107449 WDNNSCQNRPCLLH-FDDCHVKYSA-N 426.586 3.784 0 40 IHAB O=C1NCCCCCOc2ccc(C(=O)NCC3CCOCC3)cc2Cc2cccc1c2 643578804 SPQLEUJHLKBOSA-UHFFFAOYSA-N 436.552 3.726 0 40 IHAB CCC(CC)(CNC(=O)NCCN(C)C(=O)OC(C)(C)C)c1ccc(OC)c(OC)c1 1226764576 IWIZHLRYMWOCJX-UHFFFAOYSA-N 437.581 3.928 0 40 IHAB CCn1c(CNC(=O)c2cccs2)nnc1SCC(=O)Nc1ccc(Cl)cc1 634001 OHMZLHWSMPWXFH-UHFFFAOYSA-N 435.962 3.674 0 40 IHAB O=C(COc1ccc(-n2cnnn2)cc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 2638378 PVTPVEYEBPKVJV-UHFFFAOYSA-N 433.855 3.564 0 40 IHAB Cc1cc2c(cc1C)N[C@@H](CC(=O)Nc1ccc(I)cc1)C(=O)N2 2642270 PRNLVPYIRRBBMD-INIZCTEOSA-N 435.265 3.669 0 40 IHAB CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccnc3)c(OC)c2)cc1 3236478 GCICNIFHNOZQPN-UHFFFAOYSA-N 427.482 3.542 0 40 IHAB Cc1ccc(NC(=O)CN(C)C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)cc1 3485720 RDQFCDIIQBLVPK-UHFFFAOYSA-N 443.960 3.633 0 40 IHAB Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)OCC(=O)Nc1ccc2c(c1)OCO2 3520351 BHJSVSADIAKWKR-UHFFFAOYSA-N 441.871 3.726 0 40 IHAB O=C1N[C@H](c2ccc(Br)cc2)[C@H](C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 4163285 DNRBHMCGLHWPTR-CKEIUWERSA-N 443.219 3.553 0 40 IHAB COc1cc(NC(=O)O[C@@H]2CC[C@@]3(C)[C@@H]4CC(=O)O[C@@H]4CC[C@H]3[C@]2(C)CO)cc(OC)c1 4259982 VOYRMMVMYIMTBW-LQCNHDFWSA-N 447.528 3.761 0 40 IHAB biogenic,in-vitro CN(C[C@@H](O)COc1ccc(OC[C@H](O)CN(C)C2CCCCC2)cc1)C1CCCCC1 4328604 YZKSALQYGMMYST-DNQXCXABSA-N 448.648 3.695 0 40 IHAB CCN(CC)CCN(Cc1cc2ccc(OC)cc2[nH]c1=O)C(=S)NC1CCCCC1 6193460 BCSIZPBGYMGCED-UHFFFAOYSA-N 444.645 3.888 0 40 IHAB COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2Cc2cccnc2)cc1 6245154 GGXQRACLEHLKEV-JOCHJYFZSA-N 444.491 3.765 0 40 IHAB CCN1CCN(C(=S)c2ccc(OCC(=O)Nc3c(C)cc(C)cc3C)cc2)CC1 6953538 DYCMVHGWBJXJKL-UHFFFAOYSA-N 425.598 3.942 0 40 IHAB CCOc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccc(Cl)cc4)ccn3n2)cc1 8608757 SRZLPPXEQCVFJW-UHFFFAOYSA-N 436.899 3.532 0 40 IHAB Cc1[nH]c(SCC(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)nc1Cc1ccccc1 8720179 YJNCXDCPOLAVJD-INIZCTEOSA-N 432.553 3.859 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)CSc3nnc(C)s3)cc2)cc1 8814351 CJSUGYAZKAXWLF-UHFFFAOYSA-N 434.568 3.687 0 40 IHAB COc1ccc(N2C[C@H](CNC(=O)Nc3cccc(C(F)(F)F)c3)OC2=O)cc1OC 8868448 YTCUYLRYXYQONQ-HNNXBMFYSA-N 439.390 3.870 0 40 IHAB COc1ccc(-c2nnc(SCC(=O)Nc3cccc(SC)c3)n2C)cc1OC 9263306 KIIAAGLKAQLKSD-UHFFFAOYSA-N 430.555 3.952 0 40 IHAB Cc1ccc(NC(=S)N(CCN(C)C)Cc2nc3ccccc3c(=O)[nH]2)cc1Cl 9282870 RTOBVIRLCMDANA-UHFFFAOYSA-N 429.977 3.646 0 40 IHAB CCOc1ccccc1[C@H]1CC(c2ccc(NS(=O)(=O)CC)cc2)=NN1C(=O)CC 9382186 WRYKZXYBUGWQOB-HXUWFJFHSA-N 429.542 3.935 0 40 IHAB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nc(SC)nn32)c(OC)c1 9409920 IKPPGELCOGXEJU-IBGZPJMESA-N 437.525 3.945 0 40 IHAB O=C(CN1CCc2sccc2[C@@H]1c1ccccc1)NC(=O)Nc1ccc2c(c1)OCO2 9737509 CVGMUVTUVZRGBJ-QFIPXVFZSA-N 435.505 3.773 0 40 IHAB CC(C)Nc1nnc(SCC(=O)Nc2ccc(I)cc2)s1 9922068 YKRFSLBEJPGTPY-UHFFFAOYSA-N 434.328 3.694 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCCN3CCCCCC3)c2)cc1 10111289 UAKLLJRXFSPYBB-UHFFFAOYSA-N 429.586 3.792 0 40 IHAB COc1ccc(NC(=O)c2ccc(NC(=O)COC(=O)c3sc(C)nc3C)cc2)cc1 10143950 UAJGNSGNRJQPOP-UHFFFAOYSA-N 439.493 3.816 0 40 IHAB O=C(Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1)c1ccccc1Br 10186621 KTEAXUSKMUCAJR-UHFFFAOYSA-N 439.313 3.995 0 40 IHAB CS(=O)(=O)NCCc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)cc1 10552375 DCWCMFCASQVJCG-UHFFFAOYSA-N 441.578 3.643 0 40 IHAB O=C(/C=C/c1ccco1)N(Cc1ccc(-c2ccc(F)cc2)o1)[C@H]1CCS(=O)(=O)C1 11914228 QMELRZNUGPWMLJ-LNENJAERSA-N 429.469 3.908 0 40 IHAB CCn1c(SCC(=O)Nc2cc(Cl)c(OC)cc2OC)nc2ccccc2c1=O 12001056 ZUNVVQUTMNUKKO-UHFFFAOYSA-N 433.917 3.818 0 40 IHAB Cc1nc(-n2nc(-c3ccco3)cc2NC(=O)COc2ccc(Cl)cc2)[nH]c(=O)c1C 12008283 IUGGFBALUGAMEU-UHFFFAOYSA-N 439.859 3.503 0 40 IHAB CCOC(=O)[C@@](NC(=O)Nc1ccc(OC)cc1OC)(c1ccccc1)C(F)(F)F 12412344 BVHKVFUUQKZZRL-IBGZPJMESA-N 426.391 3.846 0 40 IHAB C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 12494236 GHCZAUBVMUEKKP-KCSKZKDGSA-N 449.632 3.594 0 40 IHAB COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)CN2CCOCC2)cc1 12537709 AMEJXDXQSOKLNH-VWLOTQADSA-N 429.520 3.858 0 40 IHAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)cc3F)c2)C[C@@H](C)O1 12538195 NJJCRJPTFSTEGG-BETUJISGSA-N 426.897 3.529 0 40 IHAB CCOC(=O)Cc1csc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3[C@H](C)CC)C2)n1 12734784 NCKOGZLDFWISLP-HUUCEWRRSA-N 429.542 3.754 0 40 IHAB CCOc1ccccc1NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)c2ccncc2)CC1 12797532 MHUGHTSPSYDVQX-DEOSSOPVSA-N 444.535 3.618 0 40 IHAB COc1ccc(C(=O)N(Cc2nc(-c3ccc(OC)c(OC)c3)no2)C(C)C)cc1OC 12843380 IDBJJWCGWYEWHD-UHFFFAOYSA-N 441.484 3.822 0 40 IHAB C[C@@H](CCc1ccccc1)NC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 12854694 OHFYIADHOBVCSB-AWEZNQCLSA-N 429.369 3.897 0 40 IHAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)Nc1ccc(Br)cc1F 12903667 UGYNSLWIISGAOD-ZDUSSCGKSA-N 432.297 3.800 0 40 IHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1c(C(=O)N2CCOCC2)oc2ccccc12 12906799 VQTGPZCCVQVVHC-AWEZNQCLSA-N 428.872 3.965 0 40 IHAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2ccc(Br)cc2F)CC1 12927018 GYLSXNAKSGPLEL-UHFFFAOYSA-N 448.336 3.602 0 40 IHAB C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NCCSCc2ccccc2)cc1 12974762 IEPHYOKWLMFETN-SFHVURJKSA-N 432.611 3.913 0 40 IHAB Cc1ccc(C)c(C(=O)CCC(=O)N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)c1 12993508 LKELPYIYFNKGRE-UHFFFAOYSA-N 435.568 3.666 0 40 IHAB COc1cc([C@@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccc(C)cc2)n3C)ccc1O 13567479 FZAODPDNOGLUDF-INIZCTEOSA-N 437.521 3.569 0 40 IHAB COc1cc([C@@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C3=C2C(=O)OC3)cc(OC)c1OC 13567539 ZECZCHPPTDGVRU-ZDUSSCGKSA-N 447.846 3.836 0 40 IHAB COc1cc2c(cc1OC)[C@@H](C)N(S(=O)(=O)c1ccc(Br)cc1)CC2 13591277 LEWAGIQXTBQCHL-GFCCVEGCSA-N 426.332 3.774 0 40 IHAB CCOC(=O)Cc1csc(NC(=O)c2cc(Br)c(OC)c(OCC)c2)n1 14801785 PODQCCOPYSTCDR-UHFFFAOYSA-N 443.319 3.671 0 40 IHAB C[C@@H](NC(=O)COc1ccc(Br)cc1Cl)c1ccc(S(C)(=O)=O)cc1 15198424 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40 IHAB Cc1nc([C@H]2CCCN(C(=O)C3CCCC3)C2)nc2c1CC(=O)N2CCc1ccccc1 19743821 MCHQQZOUJJQQQL-NRFANRHFSA-N 432.568 3.813 0 40 IHAB CCOC(=O)[C@@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@@H]1c1ccco1 19820497 FMWRNVDTUQAAMW-FCHUYYIVSA-N 429.476 3.987 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(F)ccc3C)C2)cc1C 20017390 OQGGHUPPNXZMGO-KRWDZBQOSA-N 434.533 3.881 0 40 IHAB COC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)CN1CCN(C/C=C/c2ccccc2)CC1 20392536 ZJUSERPZVNELHV-RMKNXTFCSA-N 446.551 3.532 0 40 IHAB COc1ccc(OCc2noc(CN3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)cc1 22189461 DETKBLKILBYAEB-UHFFFAOYSA-N 448.445 3.998 0 40 IHAB COCCNC(=O)CNC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(F)cc1)CCC2 22421079 AFVQBIBMLHPNIE-SDXDJHTJSA-N 447.510 3.743 0 40 IHAB O=C(CN1CCN(Cc2nc(-c3cccs3)cs2)CC1)NCc1ccccc1Cl 22631249 BRFOMXNZZVZKGI-UHFFFAOYSA-N 447.029 3.959 0 40 IHAB Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)c2ccc(Br)o2)c1C 22766734 JICNVSMHFYFPAP-OAHLLOKOSA-N 435.318 3.919 0 40 IHAB CC(C)(C)NC(=O)CN1CCN(Cc2cc(F)cc3c2O[C@H](c2ccsc2)OC3)CC1 22792505 RYQRAWVIASNTLP-JOCHJYFZSA-N 447.576 3.527 0 40 IHAB COc1ccc(C)cc1NC(=O)C(=O)NC[C@@H](c1cccs1)N1CCc2ccccc2C1 22908256 VUOYMOXLMPUBIW-NRFANRHFSA-N 449.576 3.919 0 40 IHAB Cc1nc2sc([C@H](c3ccc(C(C)C)cc3)N3CCC4(CC3)OCCO4)c(O)n2n1 23157191 AKELTRMTGRSHDJ-SFHVURJKSA-N 428.558 3.857 0 40 IHAB Cc1ccc(CN2CCCN(C(=O)CCn3c(S)nnc3-c3cccs3)CC2)cc1 23243414 FSTRWZOULXNADW-UHFFFAOYSA-N 441.626 3.728 0 40 IHAB O[C@H](COCc1ccc2c(c1)OCO2)CN1CCC(c2nc3ccccc3s2)CC1 23410219 RDKURRUGTRYWHQ-SFHVURJKSA-N 426.538 3.782 0 40 IHAB CN(CC(=O)Nc1cccc(F)c1)C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 24670790 BGDGDQMSIBXCBM-QFIPXVFZSA-N 433.483 3.784 0 40 IHAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(Cl)c2Cl)C1 24757989 ZGFZMIWLIWYHDH-LBPRGKRZSA-N 432.329 3.638 0 40 IHAB O=C(COC(=O)c1csc(-c2ccsc2)n1)Nc1cc(Cl)ccc1-n1cncn1 25187721 RKENTFOGMDZKDS-UHFFFAOYSA-N 445.913 3.901 0 40 IHAB O[C@H](COCCOc1ccc(Cl)cc1)CN1CCC[C@@H]1c1ccc2c(c1)OCCO2 25228038 YFWIKFAGWQBGJA-PZJWPPBQSA-N 433.932 3.705 0 40 IHAB C[C@](Cc1nc2ccccc2s1)(C(=O)N1CCN(C(=O)C2CC2)CC1)c1ccccc1 25590667 QWDMBXKDQYMAFN-RUZDIDTESA-N 433.577 3.878 0 40 IHAB O=C(NCCCc1nc2ccccc2[nH]1)c1ccccc1C(=O)c1ccc2c(c1)OCCO2 26692518 IKGIKMHFIIUJRB-UHFFFAOYSA-N 441.487 3.928 0 40 IHAB CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc2ccccc2c1 28942840 RKVSEXHXWCKMLI-UHFFFAOYSA-N 438.427 3.998 0 40 IHAB CN(C)Cc1ccc(-c2ccccc2CNC(=O)CN2C(=O)CCOc3ccccc32)cc1 31078333 NGUNDWILYYCBHY-UHFFFAOYSA-N 443.547 3.847 0 40 IHAB COc1cc([C@@H](c2sc3nc(C)nn3c2O)N2CCC[C@H](C)C2)cc(OC)c1OC 34913874 LLIIRNMRYDHBER-SJCJKPOMSA-N 432.546 3.652 0 40 IHAB CCn1c(COc2ccc(C)cc2OC)nnc1SCC(=O)NCc1ccccc1 35104691 RCFXFKNJWAIEBP-UHFFFAOYSA-N 426.542 3.603 0 40 IHAB COc1cccc(NC(=O)N(Cc2cc3cc(C)ccc3n3nnnc23)C[C@H]2CCCO2)c1 35311111 UAQZIOFNTYNEPR-OAQYLSRUSA-N 446.511 3.808 0 40 IHAB Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c12 36615886 KYKXJOLUOYTUMT-UHFFFAOYSA-N 447.520 3.506 0 40 IHAB O=C(Cn1nc2c(SC3CCCCC3)nccn2c1=O)Nc1ccc(Cl)cc1F 49008982 MWUMHYFRYJRMLY-UHFFFAOYSA-N 435.912 3.747 0 40 IHAB COc1ccc(CNC(=O)CSc2nc3ccsc3c(=O)n2CC(C)C)cc1OC 57426284 DXKIXJBUNHHVJD-UHFFFAOYSA-N 447.582 3.540 0 40 IHAB CCOc1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(C(C)C)cc3)c2=O)cc1 57486497 WQLVLZYXGVJUDD-UHFFFAOYSA-N 431.496 3.743 0 40 IHAB COc1ccc(NC(=O)[C@H]2C[C@H]3CCCN3[C@@]23C(=O)Nc2c(Cl)cc(C)cc23)cc1 64165059 FSXFFARJUOASMZ-OMXJDXKCSA-N 425.916 3.927 0 40 IHAB CCOc1ccccc1NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 64985281 CBYDJMPCLXQTEB-QFIPXVFZSA-N 438.505 3.680 0 40 IHAB O=C(NC(c1ccccc1)c1ccccc1)C1CCN(c2cc(-n3ccnc3)ncn2)CC1 70637973 NWDQZWVWQVYSSI-UHFFFAOYSA-N 438.535 3.785 0 40 IHAB COc1ccc2c(c1)[C@@H](N(CC(=O)NC(=O)NCc1ccco1)Cc1ccccc1)CCO2 72296471 XXZZAEZFJVSFDN-QFIPXVFZSA-N 449.507 3.640 0 40 IHAB CCCN1CCN(Cc2cnn(C)c2)[C@@H](Cc2ccccc2-c2ccccc2OC)C1=O 72351498 AEISBXHOMHZBPI-DEOSSOPVSA-N 432.568 3.761 0 40 IHAB Cc1c(C(=O)N(C)CCOCc2ccccc2)sc2nc3n(c(=O)c12)CCCCC3 79094149 LTASNTCBJJRMAG-UHFFFAOYSA-N 425.554 3.782 0 40 IHAB O=C1CCc2cc(S(=O)(=O)Oc3cccc4cccnc34)c(Br)cc2N1 79111894 IMGJMUZYLHPLIL-UHFFFAOYSA-N 433.283 3.650 0 40 IHAB CCOc1ccc2nc(NC(=O)[C@H]3CSc4nc(C(C)(C)C)cc(=O)n4C3)sc2c1 90609715 YOOJGWCBVLSGMG-GFCCVEGCSA-N 444.582 3.910 0 40 IHAB Cc1ccc(NC(=O)c2cc(-c3cnc(N4CCOCC4)nc3)cn2CC2CC2)c(F)c1 96037714 ZNZCIDYGVKRTFF-UHFFFAOYSA-N 435.503 3.892 0 40 IHAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 107735671 CWYUPSFCOIOUKU-QGZVFWFLSA-N 440.521 3.580 0 40 IHAB CCOc1cccc(CNC(=O)[C@H](C)N(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)c1 220257683 VZGGMRKSHLFZNP-ZDUSSCGKSA-N 445.368 3.863 0 40 IHAB CCCNC(=O)c1ccccc1NC(=O)CCCN(c1ccc(CC)cc1)S(C)(=O)=O 222645278 LAOMVMPLHSMUQE-UHFFFAOYSA-N 445.585 3.574 0 40 IHAB CC[C@@H](NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C)c1ccc(OC)c(C)c1 223402006 DMGMDDXJKADVNB-HXUWFJFHSA-N 447.601 3.501 0 40 IHAB COc1cccc(-c2noc(CNS(=O)(=O)Cc3c(Cl)cccc3Cl)n2)c1 223654473 PNIFLSCLDBHRSP-UHFFFAOYSA-N 428.297 3.672 0 40 IHAB COc1cc(OC)cc(OCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)c1 223745043 OJDQRVMCRRKUNR-SFHVURJKSA-N 440.540 3.559 0 40 IHAB COC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224612672 HRESKWNBKHWTMF-UHFFFAOYSA-N 432.325 3.987 0 40 IHAB CCN(c1ccc(C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1)S(C)(=O)=O 225155625 LOAPAMDOYFKMKJ-UHFFFAOYSA-N 433.555 3.682 0 40 IHAB CC[C@H](NC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O)c1ccc(OC)c(C)c1 225649736 SGNLORFNJGLBEF-KUHUBIRLSA-N 440.512 3.704 0 40 IHAB CCCn1c(=O)sc2cc(S(=O)(=O)NCCSCc3cccc(C)c3)ccc21 225724307 NPNDYLXUQBGKNJ-UHFFFAOYSA-N 436.624 3.993 0 40 IHAB Fc1ccc(C2(CNC(=S)Nc3nc(Cl)cc(N4CCOCC4)n3)CCCC2)cc1 225978889 ZKYZSBJFBYJIRG-UHFFFAOYSA-N 449.983 3.904 0 40 IHAB CCOC(=O)[C@@H]1C[C@@](C(C)=O)(c2ccc(Cl)cc2)CN1S(=O)(=O)c1ccc(C)cc1 254286922 YHJFHRLGPSKZJS-RBBKRZOGSA-N 449.956 3.502 0 40 IHAB CCN1CCN(C(=O)c2cc(C)c(C)nc2O)[C@@H](Cc2ccccc2-c2ccccc2)C1=O 257284042 PBAGETPEYQJETA-DEOSSOPVSA-N 443.547 3.987 0 40 IHAB Cc1occc1C(=O)N1CCN(CC2CC2)[C@H](c2cn3c(N4CCCC4)cccc3n2)C1 306128393 GZEBAEUKBIKTOO-QFIPXVFZSA-N 433.556 3.745 0 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COc1ccc2cc(CN(Cc3ccccc3)Cc3nnnn3C3CCCC3)c(=O)[nH]c2c1 927522 SUZRPXYFIUNZQJ-UHFFFAOYSA-N 444.539 3.841 0 40 IHAB Cc1cc(C(=O)COC(=O)c2cccs2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O 2649375 DVMJAPRWDMJBST-UHFFFAOYSA-N 449.532 3.993 0 40 IHAB C[C@@H](NC(=O)CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O)c1ccccc1 2649668 BPVNUGGHFHDKNR-NIYFSFCBSA-N 427.504 3.554 0 40 IHAB C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CC=C(c2ccccc2)CC1 2726649 XMIRSNCEGCALHU-IBGZPJMESA-N 439.581 3.587 0 40 IHAB CCN(C(=O)COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)c1ccccc1 3482529 LLXUHZXNZBZZLP-UHFFFAOYSA-N 428.444 3.697 0 40 IHAB O=C(COc1ccccc1/C=C1/NC(=O)N(Cc2ccccc2F)C1=O)Nc1ccccc1 3659154 APDSIBOAHPMLJU-KGENOOAVSA-N 445.450 3.936 0 40 IHAB CCC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2ccc(C)cc2Cl)CC1 8831668 CAVLBNJQGGOKRP-UHFFFAOYSA-N 444.988 3.834 0 40 IHAB Cc1cc(=O)oc2cc(OCc3ccc(C(=O)O[C@H](C)C(=O)N4CCCC4)cc3)ccc12 8888314 OQKKKPQUOGVBBT-QGZVFWFLSA-N 435.476 3.848 0 40 IHAB Cc1ccccc1C(=O)NCCn1ncc2c(=O)n(Cc3cccc4ccccc34)cnc21 9016504 NEDRNUKTERUZOK-UHFFFAOYSA-N 437.503 3.533 0 40 IHAB CCc1ccc(CN(C(=O)c2ccccc2Br)[C@H]2CCS(=O)(=O)C2)cc1 9304530 PWMUCTOAWSAIQH-KRWDZBQOSA-N 436.371 3.841 0 40 IHAB Cc1ccn2c(NS(=O)(=O)c3ccc4c(c3)OCCO4)c(-c3cccs3)nc2c1 9468419 JMUDLZQCQRNSMZ-UHFFFAOYSA-N 427.507 3.943 0 40 IHAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccc(S(=O)(=O)N2CCCC2)cc1 9478455 IZEHFXAPLGALSL-UHFFFAOYSA-N 428.510 3.765 0 40 IHAB CN(Cc1nc2ccccc2s1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 9498149 NIZJMJKFIDMXOU-UHFFFAOYSA-N 443.594 3.672 0 40 IHAB O=C(Cn1nc(-c2cccs2)c2ccccc2c1=O)Nc1ccc2c(c1)OCCCO2 10027276 UVYYLESXENCGRA-UHFFFAOYSA-N 433.489 3.925 0 40 IHAB CCc1oc2ccccc2c1CN(C)C(=O)c1ccc(OC)c(S(=O)(=O)NC2CC2)c1 10030693 OACWFPUSMZHXMM-UHFFFAOYSA-N 442.537 3.717 0 40 IHAB CCOC(=O)c1cccc(NC(=O)CCCN(c2cc(C)ccc2C)S(C)(=O)=O)c1 10441908 WNKKXRJEJPERIC-UHFFFAOYSA-N 432.542 3.665 0 40 IHAB O=C1N[C@@H](c2ccc(C(F)(F)F)cc2)[C@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1 11859148 UIUBIZQIHWQRLB-XUJVJEKNSA-N 438.349 3.871 0 40 IHAB CCOC(=O)N1CCN([C@@H](C(=O)O)c2c[nH]c3cc(OCc4ccccc4)ccc23)CC1 12409308 PJIQDVDAPJJRML-JOCHJYFZSA-N 437.496 3.647 0 40 IHAB Cc1nc(-c2ccc(CCNC(=O)c3cc(S(=O)(=O)N(C)C)ccc3C)cc2)cs1 12620906 AZCFPGCQIMFPID-UHFFFAOYSA-N 443.594 3.650 0 40 IHAB CC(C)c1ccc(CN(C(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)C2CC2)cc1 12735905 LFBRPOBOGHGXCV-RUZDIDTESA-N 437.515 3.907 0 40 IHAB Cc1onc(C(C)C)c1C(=O)N[C@H]1CC(C)(C)Cc2nc(N3C[C@H](C)O[C@H](C)C3)ncc21 12736337 GGPXSXALZIEERE-DAYGRLMNSA-N 441.576 3.954 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)c2cncn2-c2ccc(F)cc2)cc1 12820298 WWMFCQYBNWAXSZ-INIZCTEOSA-N 444.532 3.533 0 40 IHAB O=C(OCc1nc(-c2ccsc2)no1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 12979887 GVJXSRNOEBQIOB-UHFFFAOYSA-N 447.538 3.720 0 40 IHAB COc1ccc(-c2nc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cs2)cc1 13004040 PONASSKRBNEPNY-UHFFFAOYSA-N 437.521 3.505 0 40 IHAB Fc1ccccc1N1CCN([C@H](c2ccccc2)c2nnnn2CCc2ccccc2)CC1 13505442 RLMXACLWFKZHPN-RUZDIDTESA-N 442.542 3.967 0 40 IHAB COC(=O)c1ccc([C@H]2c3c(C)n[nH]c3C(=O)N2CCc2c[nH]c3ccc(OC)cc23)cc1 13570511 CRWZVXWRRCVYGB-QHCPKHFHSA-N 444.491 3.783 0 40 IHAB O=C(N[C@H](CO)c1ccccc1)C1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 13722124 YNHYTICWERZTNJ-RUZDIDTESA-N 442.559 3.907 0 40 IHAB C[C@@H](C(=O)NCCSCc1ccc(Cl)cc1)N(c1ccccc1)S(C)(=O)=O 14154212 BTWSGDCWCYRIFA-HNNXBMFYSA-N 426.991 3.544 0 40 IHAB O=C(c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)N1CCC[C@@H](C(F)(F)F)C1 14242486 NMSFCCPPTTUYKK-QGZVFWFLSA-N 438.471 3.853 0 40 IHAB O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)Nc1cc(Cl)ccc1F 14268795 OSVMHRNXTXWQBB-UHFFFAOYSA-N 437.858 3.913 0 40 IHAB Cn1ncc2c(N3CCN(C(=O)[C@H](Sc4ccccc4)c4ccccc4)CC3)ncnc21 14731242 RRPDPFUMCKQYQV-OAQYLSRUSA-N 444.564 3.546 0 40 IHAB COc1ccc([C@@H]2CCCN2CC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)c(OC)c1 15518914 VUEVANXEHIYCHN-NRFANRHFSA-N 439.556 3.521 0 40 IHAB COc1ccccc1CNC(=O)C[C@@H]1CCNC[C@@H]1Cc1cc(COc2ccccc2)on1 15673583 ALGCYFQVJLKVHG-FPOVZHCZSA-N 449.551 3.737 0 40 IHAB biogenic,in-vitro O=C(CSc1nc(O)c2cnn(-c3ccc(Cl)cc3)c2n1)NCc1ccccc1 17179157 NCTGDJNVUOSICH-UHFFFAOYSA-N 425.901 3.583 0 40 IHAB CC(C)N1CCc2c(O)nc([C@H]3CCCN3C(=O)C3(c4ccc(Cl)cc4)CC3)nc2C1 19448383 UFOCLJZNDIBJRY-HXUWFJFHSA-N 440.975 3.997 0 40 IHAB C[C@@H]1Cc2cc(CN3CCNC(=O)[C@@H](Cc4ccc(-c5ccncc5)cc4)C3)ccc2O1 19498203 MFOUOGIBOBVVPZ-CLOONOSVSA-N 427.548 3.863 0 40 IHAB CCOC(=O)[C@@]1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCCN(C(=O)c2cscn2)C1 19529958 DGGBETGGKZEXII-VGOFRKELSA-N 445.516 3.651 0 40 IHAB CNC(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCCN(C(=O)c2ccc(N)nc2)C1 19591181 CEFZCHBMQYBIPB-DEOSSOPVSA-N 434.565 3.603 0 40 IHAB CNC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CCCN(C(=O)c2ccccc2OC)C1 19591207 QBFCZQWXQVHMIR-MHZLTWQESA-N 443.547 3.968 0 40 IHAB Nc1n[nH]c2nc([C@@H]3CCCCN3CC(=O)Nc3ccccc3F)cc(C(F)(F)F)c12 19743404 DMXAGUVDRAECBA-HNNXBMFYSA-N 436.413 3.864 0 40 IHAB Cc1n[nH]cc1C(=O)N1CCC[C@@H](c2nc(C)c3c(n2)N(Cc2ccccc2)CCC3)C1 19753060 MLKAIWPOACSYSE-HXUWFJFHSA-N 430.556 3.789 0 40 IHAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(F)cc3)cc2)cc1C 20020016 VTHBOSIIOQXCCV-UHFFFAOYSA-N 442.512 3.939 0 40 IHAB C[C@H]1Cc2ccccc2N1C(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 20107307 LBRSNUTUAAMVRR-UGKGYDQZSA-N 426.582 3.639 0 40 IHAB CC(C)CCn1nnnc1[C@@H](c1ccc(F)cc1)N1CCN(c2ccccc2F)CC1 20142002 KKJRTJDTVJSZMU-JOCHJYFZSA-N 426.515 3.909 0 40 IHAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2cccs2)N1CCCN1CCOCC1 20308806 RAJQNFSSJKTIBW-LJQANCHMSA-N 444.940 3.775 0 40 IHAB CCN(CC)C(=O)[C@@H](C)[C@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3ccncc3)[C@@H](C)[C@@H]2[C@H]1O 20467011 DAUFKBGGFYGUDN-GFXCCVESSA-N 429.605 3.508 0 40 IHAB biogenic,in-vitro Cc1cccc(NC(=O)CCc2nc(CSc3nnc(-c4ccncc4)o3)no2)c1C 21355690 PADQPPPZYBPOAA-UHFFFAOYSA-N 436.497 3.995 0 40 IHAB Cc1cc(CN2CCN(C(=O)c3cc(-c4ccccc4)nc4c3cnn4C(C)C)CC2)on1 21437699 QFVQEZDHELJKHF-UHFFFAOYSA-N 444.539 3.934 0 40 IHAB COc1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 22380999 ANHONVVETIJEDO-UHFFFAOYSA-N 432.448 3.807 0 40 IHAB CCOc1cc(CNCCc2ccccc2)cc(Br)c1OCC(=O)N(C)C 22770428 SSSFLWAZLGYFBY-UHFFFAOYSA-N 435.362 3.647 0 40 IHAB Cc1nc(S[C@@H](C)c2ccccc2)[nH]c(=O)c1CC(=O)NCc1ccc2c(c1)OCO2 23138674 XDMGKNLEHNFDCK-HNNXBMFYSA-N 437.521 3.519 0 40 IHAB O=C(C1CCN(c2ccc(-c3ccccc3)nn2)CC1)N1CCN(c2ccccc2F)CC1 23143076 FKYYLALRRWCBPB-UHFFFAOYSA-N 445.542 3.848 0 40 IHAB CCOC(=O)c1ccsc1NC(=O)CSc1nnc(C2CC2)n1Cc1ccco1 29357273 JQYQTNQHMQDXGA-UHFFFAOYSA-N 432.527 3.766 0 40 IHAB Cc1cccc([C@H](CNC(=O)NCc2cccnc2OC2CCCC2)N2CCOCC2)c1 31193215 OLOBMKCVYVEXJW-QHCPKHFHSA-N 438.572 3.584 0 40 IHAB O=C(NC[C@@H](c1c(F)cccc1Cl)N1CCCC1)c1ccc(Cn2cncn2)cc1 31891547 DNKARJPKLGZDMY-FQEVSTJZSA-N 427.911 3.686 0 40 IHAB Cn1ncc2c(N3CCN(c4ccccc4)CC3)nc(NCc3ccc(Cl)cc3)nc21 32091402 MKPGLWOZUZTPFQ-UHFFFAOYSA-N 433.947 3.955 0 40 IHAB Cn1cc(C(=O)N2CCN(C(=O)c3ccccc3Br)CC2)c2ccccc21 32095186 NMYAKUZIBSXSMB-UHFFFAOYSA-N 426.314 3.539 0 40 IHAB C[C@H]1CN(Cc2ccc(CNC(=O)CCCc3nnc(-c4ccccc4)o3)cc2)C[C@H](C)O1 32665578 MNTNQUDCFHNEAB-PMACEKPBSA-N 448.567 3.985 0 40 IHAB CCOC(=O)c1ccc(S(=O)(=O)N(CC)Cc2cccc(F)c2)c(Br)c1 32770687 JXZPZGVPDPMZIF-UHFFFAOYSA-N 444.322 3.976 0 40 IHAB Cn1ccnc1[C@H](NC(=O)[C@H]1CCCN(c2ccc(Cl)nn2)C1)c1ccc(Cl)cc1 32913301 VARDXZIPDLKIBZ-HNAYVOBHSA-N 445.354 3.639 0 40 IHAB Cc1cc(C(=O)COC(=O)CCC(=O)Nc2nccs2)c(C)n1Cc1cccs1 32922067 ACVVIALTOJIMNY-UHFFFAOYSA-N 431.539 3.816 0 40 IHAB Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2[C@H]2CCCN21 35843321 YPHXLCSUUWHSJE-MVOHMCPASA-N 449.938 3.696 0 40 IHAB O=C(COCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1)N1CCCC1 48276869 BBYMIVJYZKVCCP-RUZDIDTESA-N 442.003 3.686 0 40 IHAB CN(Cc1c(-c2ccco2)n(CC(=O)NC2CC2)c2ncccc12)C[C@H](O)c1ccccc1 57774392 XSLKOAGGHFJFQC-QFIPXVFZSA-N 444.535 3.740 0 40 IHAB Cc1cc(C)c2c(OCC(=O)Nc3ccccc3C(=O)N3C[C@@H](C)C[C@@H](C)C3)nn(C)c2n1 58296462 JEYUODBYQXGTKH-IYBDPMFKSA-N 449.555 3.721 0 40 IHAB O=C(Nc1ccc(F)cc1F)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 64985373 ZKSJLZRCNLSFHK-FQEVSTJZSA-N 430.432 3.560 0 40 IHAB CCN(CC)Cc1ccc(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCOCC2)cc1 65782852 BEKJBJSRSMKBFB-QHCPKHFHSA-N 429.992 3.985 0 40 IHAB C[C@H](OC(=O)Cc1csc(N2CCCC2=O)n1)[C@H]1CCCCN1C(=O)OC(C)(C)C 72310724 XYCDZPRKWDKFGV-GOEBONIOSA-N 437.562 3.534 0 40 IHAB Cc1cccc(Cc2cc(C)nc([C@@H]3CCCN(C(=O)Cn4nc(C)ccc4=O)C3)c2)c1 72354134 OMOJUVSOBHRIRX-HSZRJFAPSA-N 430.552 3.561 0 40 IHAB O=C(Cn1cnc2ccccc21)N1CC[C@@H](c2cc(CCOc3cccc(F)c3)[nH]n2)C1 72371454 NGICGFROZVRSAS-QGZVFWFLSA-N 433.487 3.536 0 40 IHAB CS[C@H]1CCC[C@H](NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2O)C1 78814760 ZUOSSOYNHKRFCR-JSGCOSHPSA-N 426.585 3.659 0 40 IHAB COC(=O)C[C@@H](c1cc2cccc3c2n(c1=O)CCC3)c1c(O)ccc2c(C)cc(=O)oc12 96220861 VZYINRNNLUPWPI-SFHVURJKSA-N 445.471 3.763 0 40 IHAB biogenic Cc1ccc(-c2noc(CN3CCN([C@@H](C)C(=O)NCCC4=CCCCC4)CC3)n2)cc1 96941299 IWYSIUINLZRYDM-FQEVSTJZSA-N 437.588 3.558 0 40 IHAB CCOC(=O)[C@@H]1C[C@@H]2C(Cl)=C[C@@]13[C@@H]1Cc4ccc(OC)c5c4[C@@]3(CCN1C)[C@]2(C)O5 100393658 QFJCSTJNJZNCPB-LKFIWIFKSA-N 429.944 3.666 0 40 IHAB biogenic,in-vitro CNC(=O)c1[nH]c([C@H]2CC[C@H](CNC(=O)C(C)(C)C)CC2)nc1-c1ccc(OC)cc1 100687868 KXPGWCUURWIBCM-WOVMCDHWSA-N 426.561 3.881 0 40 IHAB COC(=O)C1=CN(C(C)C)CCc2nc(-c3ccccc3)nc(NC[C@@H]3CCCO3)c2C1 104028494 YFIXCUMHORTBRC-FQEVSTJZSA-N 436.556 3.600 0 40 IHAB Cc1ccccc1OC[C@@H](C)NC(=O)COc1ccc(I)cc1 219835704 PRWKJEOOEVRCOD-CQSZACIVSA-N 425.266 3.562 0 40 IHAB Cc1cccc(OCCNC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)c1C 223912786 XSKRLMAWARFVRR-UHFFFAOYSA-N 445.368 3.571 0 40 IHAB COc1ccc(CNC(=O)c2ccc(CN(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 224422519 ZLXYCQIUGGNFBT-UHFFFAOYSA-N 438.549 3.754 0 40 IHAB CCc1ccc(N(CC(=O)OC)S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)cc1 224620428 ARPHHTFOEGLJLK-UHFFFAOYSA-N 432.325 3.933 0 40 IHAB CC[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1)c1ccc(OC)c(C)c1 225530657 AVWBCPYWCHPRHZ-IFMALSPDSA-N 444.597 3.980 0 40 IHAB COc1cccc(CN(C(=O)COc2ccc(Cl)c(C)c2)[C@@H](C)C(=O)NC(C)C)c1 225661604 MWZBVWKUOIHERZ-KRWDZBQOSA-N 432.948 3.978 0 40 IHAB COc1ccc(C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)cc1Cl 225714881 CGNRASKNJWEUJG-UHFFFAOYSA-N 438.933 3.784 0 40 IHAB CN1CCN([C@H]2CC[C@](CNC(=O)C3(C)CCCCC3)(c3ccccc3)CC[C@@H]2O)CC1 257207580 BIJLLMMUPOLUDL-DPZBCOQUSA-N 441.660 3.562 0 40 IHAB CCNC(=O)C1(Cc2cccc(-c3ccncc3)c2)CCN(C(=O)c2ccccn2)CC1 257220592 DLHUVNKQCKVJAR-UHFFFAOYSA-N 428.536 3.745 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)N2c3ccccc3C[C@H]2C)C1 260736838 IZDZUFXPFKRRGG-WBVHZDCISA-N 448.972 3.727 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C)c(Cl)c2)cc1 408665104 UFILXNLDSKNYMO-UHFFFAOYSA-N 446.887 3.726 0 40 IHAB Cc1cccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H](C)C=CC[C@H]4C3=O)cc2)c1C 408670031 WWVJAAMRJBGGPV-LQNXUBFPSA-N 446.503 3.801 0 40 IHAB CCn1c(CNC(=O)c2ccccc2C)nn(CC(=O)Nc2ccc(Cl)cc2)c1=S 409152364 JQGGIVKJMOEXLG-UHFFFAOYSA-N 443.960 3.965 0 40 IHAB CCOc1cc(/C=C2/NC(=O)N(CC)C2=O)cc(Cl)c1OCc1cccc(C(=O)O)c1 409234141 MHXVQOHJTUIHNA-LICLKQGHSA-N 444.871 3.929 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCCOC(C)C)c2cc(C)cc(C)c2)cc1 409267048 RTTUAULKZCIQSH-UHFFFAOYSA-N 432.586 3.738 0 40 IHAB O=C(Cc1c(F)cc(F)cc1F)N1CCc2[nH]nc(-c3ccc4c(c3)CCCO4)c2CC1 585110349 IQFFRHALQXXODP-UHFFFAOYSA-N 441.453 3.989 0 40 IHAB NC(=O)c1cn(CC(=O)N2CCC[C@H]2c2ccccc2Br)c2ccccc12 674837197 CYQVZEMEJZHSOC-IBGZPJMESA-N 426.314 3.866 0 40 IHAB CN(C)[C@@H]1CC[C@@H]2CN(C(=O)c3ccccc3OCC(=O)Nc3ccccc3F)C[C@@H]2C1 1537789608 ATWZGVUWVGNCOT-CEXWTWQISA-N 439.531 3.646 0 40 IHAB Cc1ncccc1C(=O)N1CCN(C)C(=O)[C@H]1Cc1ccccc1-c1cc(F)cc(F)c1 1848351839 YKFSJCWNPARFPV-HSZRJFAPSA-N 435.474 3.861 0 40 IHAB CC(=O)N[C@@]12CNCC[C@@H]1[C@@H](c1ccccc1)N(C(=O)C1(c3cccc(F)c3)CCCC1)C2 1848352585 MUTDLDZLSHHPIY-FKCDAAJZSA-N 449.570 3.705 0 40 IHAB O=C(CSc1ccccc1Br)N1CCN(C(=O)c2cccs2)CC1 29745060 GTOGWNDTHPYVHZ-UHFFFAOYSA-N 425.373 3.587 0 40 IHAB CCn1c(COc2cccc(OC)c2)nnc1SCC(=O)Nc1ccc(OC)cc1 928991 HKGDWHNYADCIAY-UHFFFAOYSA-N 428.514 3.625 0 40 IHAB CCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)c1 11965665 NYHLLXXGHXJUSM-UHFFFAOYSA-N 444.582 3.837 0 40 IHAB Cn1c(SCC(=O)Nc2nc3cc4c(cc3s2)OCCO4)nnc1-c1cccs1 29913101 ATRIZPGZUIVAPU-UHFFFAOYSA-N 445.551 3.655 0 40 IHAB Sc1nnc(-c2ccc(COc3ccc4c(c3)CCC4)o2)n1CCCN1CCOCC1 2790854 HCIMOSYRRNSRDJ-UHFFFAOYSA-N 440.569 3.617 0 40 IHAB C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1 21847564 GOTUYZQKTHVJJQ-CQSZACIVSA-N 436.339 3.867 0 40 IHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 18160309 GBFNYTDCNGUPAK-INIZCTEOSA-N 436.961 3.598 0 40 IHAB Cc1noc(C)c1CSCC(=O)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O 23074535 KEACRFZEFVDQOW-MFOYZWKCSA-N 449.529 3.516 0 40 IHAB O=C(Cc1ccc(N2CCCC2=O)cc1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 9815988 KZDZVAGXZDRLDL-UHFFFAOYSA-N 429.524 3.980 0 40 IHAB CCOC(=O)[C@](NC(=O)c1ccccc1OCC)(Nc1ccc(F)cc1)C(F)(F)F 3103566 XMQROMUHPZJWIQ-LJQANCHMSA-N 428.382 3.888 0 40 IHAB CC[C@@H](Sc1nc(CN2CCOCC2)nc2ccccc12)C(=O)NCc1ccccc1 23990086 HMVRDFOBZRTHGU-OAQYLSRUSA-N 436.581 3.649 0 40 IHAB Cc1nc2ccccc2n1CCNC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCc2ccccc21 24381918 PSZDCCGALVHZOE-NHCUHLMSSA-N 430.552 3.857 0 40 IHAB CCOc1ccc(Nc2nnc(SCc3ccc(OC)c(OC)c3)n(C)c2=O)cc1 28538453 NQSBQYQGXLPTIW-UHFFFAOYSA-N 428.514 3.627 0 40 IHAB COc1ccc(Cl)cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2C)CC1 24611499 IROWAWBUJXETTD-UHFFFAOYSA-N 436.961 3.838 0 40 IHAB COc1cccc(NC(=O)C(=O)[C@H](C(=O)c2ccccc2F)[C@@H]2OC(=O)c3ccccc32)c1 102922843 XVKZYGZINCKONL-NZQKXSOJSA-N 447.418 3.753 0 40 IHAB Cc1nn(C)c(C)c1C(=O)C(=O)N(Cc1ccc2c(c1)OCO2)[C@@H]1CCC[C@@H](C)[C@H]1C 107346437 OIEOGNFCVSHFHM-SPYBWZPUSA-N 425.529 3.802 0 40 IHAB C[C@](Cc1nc2ccccc2s1)(C(=O)N1CCN(c2cnccn2)CC1)c1ccccc1 25835691 SNDCARWFGPDMQP-RUZDIDTESA-N 443.576 3.936 0 40 IHAB CSc1nc(C)c(CCC(=O)N2CCc3sccc3[C@H]2c2ccccc2)c(=O)[nH]1 25902509 BBOJHODRXKAPGG-HXUWFJFHSA-N 425.579 3.969 0 40 IHAB Cc1cccc(NC(=O)Cn2c(=O)n(Cc3ccccc3Cl)c(=O)c3sccc32)c1 57427888 LAROEJKXYXZBNK-UHFFFAOYSA-N 439.924 3.874 0 40 IHAB COc1cccc(Cn2c(=O)c3sccc3n(CC(=O)Nc3ccc(C)cc3C)c2=O)c1 57426842 KZVCFYKSEXQYNK-UHFFFAOYSA-N 449.532 3.537 0 40 IHAB O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)NC1CC1 9191001 RLOJVLPSAMMUNP-UHFFFAOYSA-N 432.851 3.833 0 40 IHAB Fc1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CCN(C3CCCCC3)CC2)cc1 22929117 QMNIXPDBWAYAOR-DEOSSOPVSA-N 434.563 3.900 0 40 IHAB Cc1cc(Cl)ccc1OCCCC(=O)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 3354199 SCCZFVOZOSQWAL-QGZVFWFLSA-N 425.934 3.616 0 40 IHAB COCCn1c(C(C)C)nc2c1C1(CCN(C(=O)c3ccnn3C)CC1)Oc1ccccc1-2 306144763 ZNWPXHMOQKABCF-UHFFFAOYSA-N 449.555 3.577 0 40 IHAB CC(=O)c1cccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(C)cc3Cl)c2C)c1 67322988 SDEHZKMVIMAFHU-UHFFFAOYSA-N 425.876 3.642 0 40 IHAB COc1cccc(OCc2cccc(C(=O)N3N=C(C(F)F)C[C@@]3(O)C(F)F)c2)c1 36611081 PNPNZOFYWCTZMI-HXUWFJFHSA-N 426.366 3.695 0 40 IHAB Cc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)c(C)c1 11610514 KLUOCOPZNBSOPA-GOSISDBHSA-N 437.359 3.858 0 40 IHAB CN(C)CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=S)Nc1cccc(C(F)(F)F)c1 3414838 ARHJSZPJYXXZDU-UHFFFAOYSA-N 449.502 3.703 0 40 IHAB O=C(NC[C@@H]1CCCO1)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1Cl 3515946 NQGCWLARALFSHO-AWEZNQCLSA-N 429.325 3.703 0 40 IHAB COC(=O)c1sccc1S(=O)(=O)N1CCc2sccc2[C@@H]1c1cccs1 12934276 CPDMDOVYKVRICN-OAHLLOKOSA-N 425.578 3.994 0 40 IHAB Cc1ccc(OCC(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)c(Br)c1 12979143 OPXMWMOYGWRWBD-HNNXBMFYSA-N 429.318 3.937 0 40 IHAB COc1ccc([C@H]2CCCCCN2CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1 12982731 VUTHADZWLIZOKC-JOCHJYFZSA-N 445.585 3.501 0 40 IHAB CCCCCNC(=O)c1c(O)[nH]c2c(Br)cc(Br)cc2c1=O 17016502 JFRSDBGUSCSPGT-UHFFFAOYSA-N 432.112 3.679 0 40 IHAB C[C@@H](NC(=O)CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccccc1 13069854 QDELLYLLMOKRRG-CQSZACIVSA-N 426.870 3.753 0 40 IHAB CN(C)S(=O)(=O)c1cccc(NC(=O)CSc2nc3cc(Cl)ccc3s2)c1 9141248 DHALFDSBGZBUPB-UHFFFAOYSA-N 441.987 3.931 0 40 IHAB COc1cccc(CNC(=O)Cn2cnc3c(-c4ccc(C)cc4)csc3c2=O)c1OC 38651662 BKIDCRBKFBBXFH-UHFFFAOYSA-N 449.532 3.767 0 40 IHAB CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(C)c(Cl)c3)cc2)CC1 4121742 ISEYAHRLOUUUGW-UHFFFAOYSA-N 444.988 3.834 0 40 IHAB COc1ccccc1NC(=O)Cn1c2c(sc1=O)[C@H]1c3ccccc3OC[C@@H]1CS2 8752058 OBURMPOKFSCBDA-BFUOFWGJSA-N 440.546 3.803 0 40 IHAB CCn1c(CC(=O)Nc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(F)c(F)c1 13956601 MDDSTSRVETYUSY-UHFFFAOYSA-N 445.495 3.797 0 40 IHAB CCOc1cc(/C=C(\Cl)c2nc3ccccc3c(=O)[nH]2)ccc1O[C@@H](C)C(=O)N(C)C 14196890 CLCBJDHPXCWBGR-VMOJBDSFSA-N 441.915 3.914 0 40 IHAB COc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCO)ccc1OCC(C)C 8869383 PRJJPLQKKGHBNC-QFIPXVFZSA-N 437.492 3.764 0 40 IHAB CCOc1ccc(-c2cc3c(=O)n(CCC(=O)N4CCc5ccccc5C4)ccn3n2)cc1 67262469 UIMGYGDSXJFUOZ-UHFFFAOYSA-N 442.519 3.537 0 40 IHAB CCOc1ccc(NC(=O)Cn2cnc3nc(N(C)Cc4ccccc4)sc3c2=O)cc1 67225671 PDCDMUNROLBJTR-UHFFFAOYSA-N 449.536 3.527 0 40 IHAB CCOc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccccc3C(F)(F)F)c2C)cc1 67323399 OSIVPCOPWQEGLD-UHFFFAOYSA-N 447.417 3.895 0 40 IHAB CSCC[C@@H](C(=O)NCc1ccc(C(F)(F)F)cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 8944704 VMKGZERQGSXEMK-BBWFWOEESA-N 442.503 3.619 0 40 IHAB CCOc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccc(OC)c(Cl)c2)c1C 71327236 GYPKMGJMVRSDBF-UHFFFAOYSA-N 443.891 3.538 0 40 IHAB Cc1cccc(CN2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccsc2)C3=O)c1 306137106 QLOMMCQCVOCDBE-UKILVPOCSA-N 433.577 3.849 0 40 IHAB CCS(=O)(=O)N1CCC(C(=O)OCc2csc(-c3ccc(Cl)cc3)n2)CC1 19427751 VHNRFKRTWHJZMT-UHFFFAOYSA-N 428.963 3.568 0 40 IHAB O=C(CSc1ccccc1C(=O)N1CCN(c2ccc(F)cc2)CC1)N1CCCC1 9209225 WJKBRYWUBMYMAY-UHFFFAOYSA-N 427.545 3.503 0 40 IHAB COc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2cccc(C)c2)cc1Cl 9238569 FALAYEGCSNZECF-ROUUACIJSA-N 429.933 3.955 0 40 IHAB COc1ccc(C(=O)NC2CCCCCC2)cc1S(=O)(=O)N(C)Cc1ccccc1 9283034 AGYHVRIDRCWEGW-UHFFFAOYSA-N 430.570 3.969 0 40 IHAB C[C@H](OC(=O)CCCc1nc2ccccc2s1)C(=O)Nc1ccc2c(c1)OCCO2 9283372 ZBQONXJWAYYBHC-AWEZNQCLSA-N 426.494 3.961 0 40 IHAB COc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1S(=O)(=O)N1CCCC1 9492277 DFRJQWNPPCYYOW-UHFFFAOYSA-N 442.581 3.575 0 40 IHAB COc1ccc(NC2c3ccccc3-c3ccccc32)cc1S(=O)(=O)N1CCOCC1 9539711 DTPWRFPPXKLHJF-UHFFFAOYSA-N 436.533 3.898 0 40 IHAB Cc1ccc(S(=O)(=O)NCCC(=O)N2CCC[C@H]2c2nc3ccccc3s2)c(C)c1 9515235 BTOAPWSHVXRJDA-SFHVURJKSA-N 443.594 3.945 0 40 IHAB CCc1ccc(N2CCCn3c2nc2c3c(=O)n(C/C=C/c3ccccc3)c(=O)n2C)cc1 9518947 APGFAMVDWZFXNI-YRNVUSSQSA-N 441.535 3.714 0 40 IHAB Cc1sc2nc([C@@H](C)N3CCn4c(CCc5ccccc5)nnc4C3)[nH]c(=O)c2c1C 72308575 QISIQXKOCCYDML-OAHLLOKOSA-N 434.569 3.555 0 40 IHAB CCCOC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2N)c1 409159754 XBEOEYVOHZTTMH-UHFFFAOYSA-N 445.932 3.610 0 40 IHAB O=C(CSc1nnnn1-c1ccccc1)Nc1ccccc1C(=O)Nc1ccccc1 9791724 FHRZNAUXNIHLSB-UHFFFAOYSA-N 430.493 3.645 0 40 IHAB O=C(C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)N1C[C@H]2CC=CC[C@@H]2C1 78874710 LYOVPLPVRIMWLW-IAGOWNOFSA-N 442.503 3.531 0 40 IHAB CCCS(=O)(=O)N1N=C(c2ccc(NS(=O)(=O)CC)cc2)C[C@H]1c1cccc(C)c1 79112522 NIRJLJPXPWETRQ-NRFANRHFSA-N 449.598 3.648 0 40 IHAB Cc1ccc(N2CCCC2)c(C(=O)N2CCN(Cc3c(C)nc4cc(C)ccn34)CC2)c1 95960028 QUVFZTZBGCGJEI-UHFFFAOYSA-N 431.584 3.818 0 40 IHAB O=C(CSc1nc2ccccc2o1)OCc1cc(=O)n2c3c(sc2n1)CCCC3 9956983 VWVWRVUAMZCSRW-UHFFFAOYSA-N 427.507 3.612 0 40 IHAB COc1ccc([C@@H]2CCCN2C(=O)c2cnn(CCO[C@H]3CCCCO3)c2C)c(OC)c1 89544826 UCWZLBUGXZPSKF-GMAHTHKFSA-N 443.544 3.729 0 40 IHAB CCCCCNC(=O)CN1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1cc(OC)c(OC)c(OC)c1 20391619 JDZOWKQXEHPTLN-VPHKFGTKSA-N 448.604 3.687 0 40 IHAB CCc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(Cl)cc4F)ncn3n2)cc1 67208832 OLIMRUYZLYVVFJ-UHFFFAOYSA-N 425.851 3.552 0 40 IHAB CS(=O)(=O)N(CC(=O)NCCSCc1ccccc1)c1cccc2ccccc12 20239277 VYTRLUGEVIKQNC-UHFFFAOYSA-N 428.579 3.655 0 40 IHAB COc1ccc(OC)c(-c2csc3ncc(C(=O)NC4CCCCCC4)c(=O)n23)c1 64788036 HCHQMFSCUBDXIQ-UHFFFAOYSA-N 427.526 3.893 0 40 IHAB O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl)Nc1cccc(F)c1 409264874 GUKOQTDDHMBINA-UHFFFAOYSA-N 448.903 3.975 0 40 IHAB CN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)C(O)=NC1=S 33688846 LKSDUPXFYBBTIS-XYOKQWHBSA-N 447.875 3.593 0 40 IHAB Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(C(=O)NCC(C)(C)C(=O)O)cc1 510124320 KAKDILCCAJCDHX-UHFFFAOYSA-N 446.569 3.934 0 40 IHAB CCOc1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c2ccccc12 511241019 NGKMRCJIVQLVDG-UHFFFAOYSA-N 437.521 3.837 0 40 IHAB C[C@H](NC(=O)COC(=O)c1cccc(N2C(=O)[C@H]3CC[C@@H](C)C[C@@H]3C2=O)c1)c1ccccc1 408657223 GZMKYXDAVWKPIP-CTOYSFNJSA-N 448.519 3.646 0 40 IHAB CC1(C)Oc2ccc(C(=O)N3CCC[C@@H]3c3ccc(Nc4cnccn4)cn3)cc2NC1=O 72353064 OEVVVUPKAKOZPN-LJQANCHMSA-N 444.495 3.702 0 40 IHAB Cc1oc2c(c1C(=O)N1CCNC(=O)[C@H]1Cc1ccc(-c3cccnc3)cc1)CCCC2 72351866 HIZOXXBHPMTQRP-JOCHJYFZSA-N 429.520 3.712 0 40 IHAB O=C(CCCN1C(=O)c2ccccc2S1(=O)=O)N(Cc1ccccc1)Cc1ccccc1 219427645 QQHZSRXPWTUNRT-UHFFFAOYSA-N 448.544 3.840 0 40 IHAB COc1cccc(/C=C/C(=O)N2CCN(C)c3nc4ccccc4nc32)c1OC(F)F 36394860 BXAMDENWSAUSDK-ZHACJKMWSA-N 426.423 3.736 0 40 IHAB CCOC(=O)Cc1csc(NC(=O)c2ccc(CSc3nc(C)cc(C)n3)o2)n1 79481901 VBKXQFIDUSBQRA-UHFFFAOYSA-N 432.527 3.793 0 40 IHAB O=C(Nc1nnc(S(=O)(=O)Nc2cccc(Cl)c2)s1)c1ccccc1Cl 225828260 GEUZKWFAPPEVEZ-UHFFFAOYSA-N 429.310 3.898 0 40 IHAB COc1ccc(NC(=O)c2ccc3c(c2)S(=O)(=O)N=C(C)N3CC(C)C)cc1OC 223120748 UOPBHLBBXSURKF-UHFFFAOYSA-N 431.514 3.539 0 40 IHAB CS(=O)(=O)N(CCCC(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccccc1F 224891397 BVTQCVVRMKARSH-UHFFFAOYSA-N 434.411 3.909 0 40 IHAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCCN2CCc3ccccc32)c1 225385548 MEXUABZFGNYGNE-NKFKGCMQSA-N 429.520 3.928 0 40 IHAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(OC)cc1 222876661 VIMLZZCWERSRIZ-VWLOTQADSA-N 446.547 3.632 0 40 IHAB Cc1ccc(N(CCCC(=O)NCCOCc2ccccc2)S(C)(=O)=O)cc1Cl 224777859 YTMHGYMBYCWVCT-UHFFFAOYSA-N 438.977 3.528 0 40 IHAB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)NCCc2ccc(Cl)cc2)CC1 224346468 QTPXNNGBDPCOKY-UHFFFAOYSA-N 434.989 3.549 0 40 IHAB O=C(NCCc1ccccc1)[C@H]1CN(C(=O)C2(c3ccccc3)CC2)c2ccccc2O1 225988849 DUWLRSAIBGNNKL-XMMPIXPASA-N 426.516 3.871 0 40 IHAB CC(C)Oc1cccc(N(CC(=O)NCCOc2ccccc2C(C)C)S(C)(=O)=O)c1 223800330 LSMJEFYOPBQSJB-UHFFFAOYSA-N 448.585 3.558 0 40 IHAB CC[C@@H](C(=O)NCc1ccc(F)cc1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 220697389 DMJFVBRZXDKSKC-KRWDZBQOSA-N 433.332 3.994 0 40 IHAB CC[C@H](C(=O)Nc1cc(OC)c(Cl)cc1OC)N(c1cccc(C)c1)S(C)(=O)=O 220512393 VPEOWSDBXLJDPO-QGZVFWFLSA-N 440.949 3.849 0 40 IHAB COc1cc(CNC(=O)c2ccc(C)cc2I)cc(OC)c1OC 225028601 BFEVICMOVSWQRT-UHFFFAOYSA-N 441.265 3.555 0 40 IHAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCc1ccc2c(c1)OCO2 223465539 UIWPGWACYURLRE-GOSISDBHSA-N 440.540 3.690 0 40 IHAB CC(C)COc1ccc(S(=O)(=O)Nc2ccc(CC(=O)NCC(F)(F)F)cc2)cc1 44038285 IWIUDPPRSUHHKP-UHFFFAOYSA-N 444.475 3.743 0 40 IHAB Cc1cc(C)c(N(CC(=O)NCCOc2cccc3ccccc23)S(C)(=O)=O)c(C)c1 223546782 PTSBSBWBHYRMNE-UHFFFAOYSA-N 440.565 3.726 0 40 IHAB CS(=O)(=O)N[C@@H](CC(=O)Nc1cccc(Br)c1)c1ccc(Cl)cc1 225950935 JOQRKHOVPQDOMG-HNNXBMFYSA-N 431.739 3.722 0 40 IHAB CCC1(CC)C[C@@H](NC(=O)CN(c2ccccc2C)S(C)(=O)=O)c2ccccc2O1 224995589 ZVWVZJOYEXGGFO-LJQANCHMSA-N 430.570 3.960 0 40 IHAB O=C(COc1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1)Nc1ccc(F)cc1 140980908 YJYNKGQKDDVLIO-BKUYFWCQSA-N 445.475 3.614 0 40 IHAB CS(=O)(=O)[C@@](Cl)(I)[C@@H](O)c1ccc(-c2ccccc2)cc1 96519958 IVOTWODWVCBROL-GJZGRUSLSA-N 436.698 3.759 0 40 IHAB Cc1cc(Nc2cc([C@H]3CCCN3C(=O)C(C)(C)NC(=O)OC(C)(C)C)nc(C)n2)[nH]n1 257289126 PXBDKDRHFFMJJI-MRXNPFEDSA-N 443.552 3.527 0 40 IHAB CC(=O)NCc1cc([C@@H]2CCCN2C(=O)C2(Cc3ccccc3F)CCOCC2)ccn1 257233562 GPTDBANURFDEIY-QHCPKHFHSA-N 439.531 3.560 0 40 IHAB c1ccc(COc2ccccc2CN2CCOC[C@H](Cc3nccn4cccc34)C2)nc1 257280702 OLZIWYPLMYCPFU-OAQYLSRUSA-N 428.536 3.999 0 40 IHAB COc1ccc(Cl)cc1NC(=O)NCCNc1cc(Nc2cc(C)ccn2)ncn1 90607996 QHIXSLDZFYUNGX-UHFFFAOYSA-N 427.896 3.819 0 40 IHAB Cc1nc(-n2cccc2)sc1C(=O)N1CC[C@H](S(=O)(=O)c2ccc(Cl)cc2)C1 96371033 TYESMZBWGSYDPA-INIZCTEOSA-N 435.958 3.584 0 40 IHAB COc1ccccc1-c1ocnc1C(=O)Nc1ccc(N2CCC(C)CC2)c(C(N)=O)c1 12115157 MNXYVHHENBRZLF-UHFFFAOYSA-N 434.496 3.938 0 40 IHAB COc1ccc(CCN(C)C(=O)COc2ccc(F)cc2Br)cc1OC 12881953 DCYYAUQYOTXLCQ-UHFFFAOYSA-N 426.282 3.685 0 40 IHAB CC(C)CCNC(=O)[C@@H](c1ccco1)N(Cc1ccco1)C(=O)Cn1nnc2ccccc21 13031311 QQAVUKONJXQJEY-HSZRJFAPSA-N 449.511 3.550 0 40 IHAB CN(c1ccc2sc(C(N)=O)cc2c1)S(=O)(=O)c1ccc(Br)cc1 13584482 OTDKGECTPMYULZ-UHFFFAOYSA-N 425.329 3.588 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)[C@@H](CC)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714212 DPJGAYNEJVGPES-GOSISDBHSA-N 438.933 3.700 0 40 IHAB NC(=O)CSc1ccccc1NC(=O)COc1ccc(Cl)cc1Br 14141055 GAGLSMNRFIMWPO-UHFFFAOYSA-N 429.723 3.697 0 40 IHAB COc1ccc(OC)c(C(=O)CN(C2=NCCCS2)c2cc(OC)ccc2OC)c1 16769243 OORAHZHDCLEWAZ-UHFFFAOYSA-N 430.526 3.903 0 40 IHAB Cc1ccc(-c2nnc([C@@H]3CCCN3S(=O)(=O)c3cccc(C(F)(F)F)c3)o2)cn1 19215132 WLKCWVZPPUKLNG-INIZCTEOSA-N 438.431 3.985 0 40 IHAB Cc1cc(C(F)(F)F)c2c(=O)[nH]c(C3CCN(C(=O)CCn4nccc4C)CC3)cc2n1 19238411 WBJHZLUXAGPBCY-UHFFFAOYSA-N 447.461 3.552 0 40 IHAB COc1cc(OC)c(C2=NO[C@@H](C(=O)N3CCCCC[C@H]3c3cnn(C)c3)C2)cc1Cl 19290593 FNNJAEYVLCZFBN-GHTZIAJQSA-N 446.935 3.728 0 40 IHAB Cc1noc(C)c1CCC(=O)N1CCC(Cn2nc(-c3ccc(F)cc3)ccc2=O)CC1 19580599 HYLFPKSEWDDYEK-UHFFFAOYSA-N 438.503 3.526 0 40 IHAB Cc1n[nH]cc1C(=O)N1CCC[C@@](Cc2ccccc2-c2cccs2)(C(=O)N(C)C)C1 19582353 WMLWBJAJKYUFOT-DEOSSOPVSA-N 436.581 4.000 0 40 IHAB NC(=O)C1(Cc2ccc(-c3ccncc3)cc2)CCN(C(=O)Cc2cccc(F)c2)CC1 19700149 WOGBGZMXRIAUQD-UHFFFAOYSA-N 431.511 3.767 0 40 IHAB CCc1cc(C(=O)N2CCC[C@H]2c2nc(C)c3c(n2)N(Cc2ccc(F)cc2)C(=O)C3)on1 19744355 ROKMYIJYQQFRPI-IBGZPJMESA-N 449.486 3.541 0 40 IHAB Cc1cc2cc(C(=O)N3CCCC[C@H]3c3ncc(C(=O)N4CCOCC4)c(C)n3)ccc2o1 19765660 IHIXIZCBMXTHJO-NRFANRHFSA-N 448.523 3.679 0 40 IHAB CCCc1cc(C(=O)N2CC[C@@H](c3ncc(C(=O)Nc4ccc(OC)cc4)c(C)n3)C2)no1 19766149 RXKQVPVZBOANDW-MRXNPFEDSA-N 449.511 3.616 0 40 IHAB O=C(CC1CCCC1)NC[C@H]1CC[C@H](c2c(C(=O)NCCO)sc3ncccc32)CC1 100688410 WVBDSWBJKJVMOA-HDICACEKSA-N 443.613 3.989 0 40 IHAB CNC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCCN(C(=O)COc2ccccc2)C1 19591120 WPVXHDJLFFSVEB-HHHXNRCGSA-N 443.547 3.725 0 40 IHAB CS(=O)(=O)N1CCc2cc(C(=O)Nc3ccc(-c4cn5ccsc5n4)cc3)ccc21 20005387 ICJVGRKXNIDICO-UHFFFAOYSA-N 438.534 3.637 0 40 IHAB Cc1c(Cl)c(CN2CCN(S(=O)(=O)c3ccccc3F)CC2)nc2ccccc12 20683313 KYORHDLDARKGMC-UHFFFAOYSA-N 433.936 3.842 0 40 IHAB COC(=O)c1cn(CC(=O)N[C@H](c2ccc(Cl)cc2)c2nccn2C)c2ccccc12 28947486 LBGPQFNNMCKSFY-OAQYLSRUSA-N 436.899 3.721 0 40 IHAB O=C(N[C@H](CN1C(=O)COC1=O)c1ccccc1)c1cc(Br)ccc1Cl 238972528 ZNSZKYOOYMIUKL-OAHLLOKOSA-N 437.677 3.552 0 40 IHAB O=C(Nc1ccccc1)O[C@@H]1CCC[C@@H](NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)C1 245130876 VCHCNQKSLKIMJY-LDQXTDLNSA-N 439.487 3.855 0 40 IHAB CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc4c(c3)-c3nc(C)sc3CC4)ccc21 8997824 SVQKFONJJRLGAY-UHFFFAOYSA-N 439.562 3.927 0 40 IHAB O=C(Nc1c2c(nn1-c1cccc(Cl)c1)C[S@](=O)C2)c1ccc(Br)o1 9413393 KFRAMRPZMNEADR-VWLOTQADSA-N 440.706 3.896 0 40 IHAB CCOC(=O)c1oc2ccccc2c1NC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1 9414394 KKKCIGCXZXAUTD-UHFFFAOYSA-N 444.509 3.892 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4nc(C)sc4c3)CC2)cc1 10337548 BJDYGXZSLGMFMN-UHFFFAOYSA-N 429.567 3.953 0 40 IHAB O=C(CCc1csc(NC(=O)NC2CCCCC2)n1)Nc1ccc2c(c1)OCCO2 16978576 NLTBRTFUPNPJOI-UHFFFAOYSA-N 430.530 3.940 0 40 IHAB Cc1nc2ccccc2c(=O)n1CC1CCN(c2ncc(Br)cc2F)CC1 2086867323 JFYNKUCEZBYRIC-UHFFFAOYSA-N 431.309 3.918 0 40 IHAB Cc1cc(C)n(-c2ccc(=O)n([C@@H](C)C(=O)Nc3ccccc3-c3csc(C)n3)n2)n1 208010167 VWYANNVKYWORFF-HNNXBMFYSA-N 434.525 3.677 0 40 IHAB Cc1cc(NC(=O)CSc2ncnc3nc(N(C)C)sc23)ccc1Br 35532668 LSJMWALURFYOGM-UHFFFAOYSA-N 438.376 3.954 0 40 IHAB COc1cc2c(cc1NC(=O)COCc1nc3ccccc3c(=O)[nH]1)oc1ccccc12 40050976 SZZHGKMQLIDTLX-UHFFFAOYSA-N 429.432 3.986 0 40 IHAB CN(CC(=O)Nc1ccccc1Cl)C(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 31418490 GHSZXXKNZDVNOE-KRWDZBQOSA-N 435.911 3.943 0 40 IHAB CC1=C(C(=O)OCc2ccccc2)[C@H](c2cc3c(cc2Br)OCO3)NC(=O)N1 825838 ZVGURVBYAIYJJW-SFHVURJKSA-N 445.269 3.549 0 40 IHAB C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CCC(C(=O)c5ccccc5)CC4)[C@H]3[C@@H](O)[C@@]21C 2108023 ATJMZTVSABUEJR-OQGWSESMSA-N 437.580 3.866 0 40 IHAB biogenic O=C(CSc1nc(-c2ccccc2Br)n[nH]1)Nc1ccc2c(c1)OCO2 2625942 AYBGTKYOHDUOGD-UHFFFAOYSA-N 433.287 3.694 0 40 IHAB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(C3CC3)s2)cc1 2653044 GJOJUXKJWIQRKB-UHFFFAOYSA-N 444.538 3.502 0 40 IHAB CCOc1c(Br)cc(C(=O)OCc2cc(C(=O)OC)c(C)o2)cc1OC 3287045 GLXJLXFEATXBOO-UHFFFAOYSA-N 427.247 3.901 0 40 IHAB CCOc1ccc(C2=N/C(=C/c3ccc(OC)c(OC)c3OC)C(=O)O2)cc1OCC 3291606 HNBNREFNKPIECJ-FOWTUZBSSA-N 427.453 3.854 0 40 IHAB COc1ccc(Br)cc1CN(C)C(=O)c1ccc(S(=O)(=O)C(F)F)cc1 3414160 ZVESCNXGOROUCY-UHFFFAOYSA-N 448.285 3.726 0 40 IHAB Cc1nc(SCc2cccc(S(=O)(=O)N3CCOCC3)c2)c2c(C)c(C)sc2n1 3449286 OGAHLCJGOSBRTJ-UHFFFAOYSA-N 449.623 3.930 0 40 IHAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)NCc1cn2ccccc2n1 8725478 LBHDKRLTKQTKLK-UHFFFAOYSA-N 438.484 3.513 0 40 IHAB COc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2cccnc2)cc1OC 8846049 OZBZIKMKVYSFEV-JOCHJYFZSA-N 428.444 3.951 0 40 IHAB COc1ccc(CC(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3OC)c2)cc1 9220139 KGNTXERSVVDUDB-UHFFFAOYSA-N 426.494 3.686 0 40 IHAB CCCCOc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccc(C)cc4)ccn3n2)cc1 9319691 VCNIGJPBXYKWDK-UHFFFAOYSA-N 444.535 3.967 0 40 IHAB COc1cc(-c2nnc(SCC(=O)Nc3ccc(N(C)C)cc3)o2)cc(OC)c1OC 9562319 NACPOXQATFEBGR-UHFFFAOYSA-N 444.513 3.559 0 40 IHAB O=C(NCc1ccccc1OC(F)(F)F)N1CCN(C(=O)c2ccccc2Cl)CC1 9582975 UEVFNQQSRNHUON-UHFFFAOYSA-N 441.837 3.906 0 40 IHAB CCc1ccc(CN(C)C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 9801095 LOIAITGYYAIHOX-UHFFFAOYSA-N 429.586 3.765 0 40 IHAB Cn1cc(C(=O)Nc2ccccc2Cl)c2[nH]c(=O)n(-c3ccc(Cl)cc3)c(=O)c21 9819902 GCNGKGBAVYCDJL-UHFFFAOYSA-N 429.263 3.577 0 40 IHAB CCn1c(CN(Cc2ccco2)Cc2ccco2)nc2cc(S(=O)(=O)N(C)C)ccc21 9952648 LZRQFZXHQRCSBL-UHFFFAOYSA-N 442.541 3.695 0 40 IHAB Cc1ccc(C(=O)N[C@H](C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)C(C)C)cc1 10027798 YGDKTZUNFVKQEN-QFIPXVFZSA-N 436.556 3.562 0 40 IHAB COc1ccc(N([C@H](C)C(=O)Nc2ccc(F)c(Cl)c2)S(C)(=O)=O)cc1Cl 10336515 UCUVYXLGDXZLBQ-SNVBAGLBSA-N 435.304 3.934 0 40 IHAB Cc1cc(I)ccc1NC(=O)CCC(=O)NCCc1ccccc1 10372674 HYGBFIUYKXFKOH-UHFFFAOYSA-N 436.293 3.677 0 40 IHAB O=C(N[C@@H](c1ccccc1)C1CC1)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 11215194 XUOAVKINJRYPFV-NRFANRHFSA-N 434.508 3.633 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1cccc2cnccc12 11666891 IKCLKYYIWRANCU-UHFFFAOYSA-N 425.510 3.670 0 40 IHAB CCS(=O)(=O)N1CCC[C@H]1c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 12230344 AYJYPOLDNZRHNJ-ZDUSSCGKSA-N 430.477 3.963 0 40 IHAB CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)N1CCN(c2cccc(Cl)c2)CC1 12562692 IVVZKZATZGQWOE-GOSISDBHSA-N 442.991 3.510 0 40 IHAB O=C(CNC(=O)c1ccc(Br)o1)Nc1ccc(-c2cn3ccsc3n2)cc1 12579534 OHYZIWWBTRSYAQ-UHFFFAOYSA-N 445.298 3.787 0 40 IHAB COc1ccccc1N(C(=O)c1csnn1)[C@H](C(=O)NC(C)(C)C)c1ccc(F)cc1 12637666 UMFQBHJIYDOZQB-IBGZPJMESA-N 442.516 3.989 0 40 IHAB COc1cc2cc(CN(C[C@H]3CCCO3)C(=O)NC3CCCCC3)c(=O)[nH]c2cc1OC 12709228 PBQGPCMEKHMPOA-LJQANCHMSA-N 443.544 3.569 0 40 IHAB CCC(=O)c1cc(Br)ccc1OS(=O)(=O)c1cccc(C(=O)OC)c1 12763655 XUSBNNBMWYAFRY-UHFFFAOYSA-N 427.272 3.596 0 40 IHAB O=C(NC1CCCCC1)[C@@H](c1cccnc1)N(Cc1ccccc1)C(=O)c1csnn1 12871740 OLYNHZOFRBNLRE-OAQYLSRUSA-N 435.553 3.766 0 40 IHAB COc1ccc(-c2nc(C(=O)NCC(=O)Nc3c(C)cccc3C)cs2)cc1OC 12939686 WMIFAOOROFELKS-UHFFFAOYSA-N 425.510 3.813 0 40 IHAB CCOc1cc2c(cc1/C=C/C(=O)N1CCC(n3c(=O)[nH]c4ccccc43)CC1)O[C@H](C)C2 12994362 CWTDTIQZXZBWGY-KBOKABMXSA-N 447.535 3.929 0 40 IHAB O=C(Cn1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c2ccccc21)N1CCOCC1 14008791 WSBBSLWWLHGAER-STZFKDTASA-N 447.516 3.741 0 40 IHAB Cc1nc(S[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)n(C2CCCCC2)c1C 14085438 KDRJWNOXFZETGM-OAHLLOKOSA-N 436.603 3.772 0 40 IHAB Cc1cc(OCCn2cc(C(=O)C(=O)N3CCOCC3)c3ccccc32)ccc1Cl 14135989 WEHXQTPFUQANBV-UHFFFAOYSA-N 426.900 3.724 0 40 IHAB CCOc1ccc([C@H](CNC(=O)Nc2cccc(Cl)c2)N2CCOCC2)cc1OC 14242802 CYEOBEGRHOIFRM-IBGZPJMESA-N 433.936 3.942 0 40 IHAB COc1ccc(C(=O)Nc2ccccc2N2CCCCC2)cc1S(=O)(=O)NC(C)C 14771517 BATBXNOPLIAHNO-UHFFFAOYSA-N 431.558 3.625 0 40 IHAB COc1cc(NC(=O)CCCNS(=O)(=O)c2ccc(C)c(C)c2)c(OC)cc1Cl 15474750 KOBULQJQDXBHGH-UHFFFAOYSA-N 440.949 3.671 0 40 IHAB Cc1ccc(SCCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1 15560235 WFSWZNIKYLGADW-UHFFFAOYSA-N 445.031 3.725 0 40 IHAB Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](c1cccnc1)N1CCc2ccccc2C1 15882617 ADASMPNJZFUVBI-HSZRJFAPSA-N 448.954 3.898 0 40 IHAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)OCc1nc(N)nc(Nc2ccc(C)cc2)n1 18747078 IQMPCBQQVUSCDH-FQEVSTJZSA-N 444.495 3.513 0 40 IHAB O=C(CCCOc1cccc(F)c1)N1CCC[C@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 19294264 WTFBEKRCLAIAIX-JCGIZDLHSA-N 437.466 3.505 0 40 IHAB CCc1onc(C)c1C(=O)N1CCNC(=O)[C@@H](Cc2ccccc2-c2ccccc2OC)C1 19521133 WKVUMCJISPQUQJ-IBGZPJMESA-N 447.535 3.652 0 40 IHAB CNC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CCCN(C(=O)COc2ccccc2)C1 19591114 CVNOTZZNFUSLPP-HHHXNRCGSA-N 443.547 3.725 0 40 IHAB CC1=NN(CCC(=O)N2CCC[C@H](c3nc(N(C)C)ncc3-c3cccc(F)c3)C2)CC1 19693950 PAVMVFYMZHMMJI-IBGZPJMESA-N 438.551 3.526 0 40 IHAB CC(C)NC(=O)c1cc([C@@H]2CN(Cc3c[nH]nc3C(C)(C)C)CCO2)nc2ccccc12 19762232 INPOLMXCYGQPQP-QFIPXVFZSA-N 435.572 3.967 0 40 IHAB Cc1[nH]c2ccc(Br)cc2c(=O)c1CN1CCN(Cc2ccccc2)CC1 19792209 BBMMAWZHYVUTCH-UHFFFAOYSA-N 426.358 3.917 0 40 IHAB C[C@@H]1Cc2ccccc2N1C(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 20047270 QNLSTOXJGCWIMY-MRXNPFEDSA-N 432.973 3.860 0 40 IHAB O=C(NCCC(c1ccccc1)c1ccccc1)C1CCN(c2ccc3nncn3n2)CC1 20739672 WAPFZBLUULTEFR-UHFFFAOYSA-N 440.551 3.679 0 40 IHAB CC(C)n1c(=O)c2ccccc2n(Cc2nc(-c3ccc(Br)cc3)no2)c1=O 23126705 IQMIGXWKIFFAOL-UHFFFAOYSA-N 441.285 3.605 0 40 IHAB COc1cc2nc(CSc3nncn3-c3ccc(C)c(Cl)c3)[nH]c(=O)c2cc1OC 23236909 UZFGRYBCDVKRCS-UHFFFAOYSA-N 443.916 3.775 0 40 IHAB Cc1ccc(C(=O)N[C@H](CN2CCOCC2)c2ccccc2)cc1NC(=O)c1ccco1 23883040 GVPWBEYFCQEDNG-JOCHJYFZSA-N 433.508 3.644 0 40 IHAB O=C(Nc1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1)c1ccco1 23989933 ZZBRETQJWTZPET-UHFFFAOYSA-N 444.413 3.908 0 40 IHAB CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3cc(C(=O)OC)ccc3F)cc2)c1C 24575795 DQAJAJJWGDAOSD-UHFFFAOYSA-N 425.416 3.535 0 40 IHAB COc1ccc(N(CC(=O)NC[C@H](C)c2ccccc2)S(=O)(=O)c2ccccc2)cc1 25164339 YFAZOYVSEIGMAV-IBGZPJMESA-N 438.549 3.810 0 40 IHAB O=C(Nc1cccnc1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 26109529 IWKPWBBGPOHHQH-CYBMUJFWSA-N 428.341 3.569 0 40 IHAB O=C(COC(=O)c1ccc2noc(-c3ccccc3)c2c1)NC[C@@H]1COc2ccccc2O1 26711165 MUTIVNUJJMJHIJ-GOSISDBHSA-N 444.443 3.608 0 40 IHAB Cc1nn(C)c(C)c1NC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 29953437 MTHJSZKQGCQTMZ-UHFFFAOYSA-N 436.896 3.883 0 40 IHAB Cc1noc2ncc(C(=O)N3CCCN(c4ncc(C(F)(F)F)cc4Cl)CC3)cc12 30978699 UOJRPGXLZHDEBN-UHFFFAOYSA-N 439.825 3.951 0 40 IHAB COc1ccc(Cl)cc1C(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 32797059 RVYLUCPLTHFNJL-UHFFFAOYSA-N 426.822 3.966 0 40 IHAB O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl)NCCC1=CCCCC1 33398091 BUBBCCURNQCEPO-UHFFFAOYSA-N 426.966 3.510 0 40 IHAB C[C@H](NC(=O)c1ccc(Cl)cc1)c1nnc(SCC(=O)Nc2ccc(F)cc2)n1C 33498749 NDBQOYFCYQCPCZ-LBPRGKRZSA-N 447.923 3.829 0 40 IHAB CC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1 34889619 QAWBLXDHHDSTAY-CYBMUJFWSA-N 441.347 3.543 0 40 IHAB Clc1cccc(N2CCN([C@H](c3ccccc3)c3nnnn3Cc3ccco3)CC2)c1 35289951 XQNSNUKJPPYLLR-JOCHJYFZSA-N 434.931 3.879 0 40 IHAB CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)c1cc(C)nc2ncnn12 36619451 XTQUATWMVUCOCM-UHFFFAOYSA-N 437.481 3.599 0 40 IHAB CCOC(=O)c1cc2cc(NC(=O)NCc3cccnc3N3CCOCC3)ccc2s1 40121009 OVSKMBVJVUDDBA-UHFFFAOYSA-N 440.525 3.631 0 40 IHAB COc1ccccc1S(=O)(=O)N1CCC(Oc2nc3c(F)cc(F)cc3s2)CC1 49444703 QHJRPHQZQKSRGS-UHFFFAOYSA-N 440.493 3.815 0 40 IHAB O=C(Nc1ccc2c(c1)CN(S(=O)(=O)c1ccccc1)CC2)c1cc(-c2ccco2)on1 49511406 ZPRDHMDRCHNQMT-UHFFFAOYSA-N 449.488 3.934 0 40 IHAB CCN(CC)CCn1c(NC(=O)CCc2c(C)nc3cc(C)nn3c2C)nc2ccccc21 57766241 BLQNABXKARVLAT-UHFFFAOYSA-N 447.587 3.917 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)[C@@H]1COc2ccccc2O1 58058927 RHNQMKJBYAPELD-FQEVSTJZSA-N 444.896 3.919 0 40 IHAB O=C1NCCN(C(=O)c2csc3c2CCCC3)[C@H]1Cc1ccc(-c2cccnc2)cc1 72351868 RSDPJGQZWGRLEL-QFIPXVFZSA-N 431.561 3.872 0 40 IHAB Cc1nn(CC(C)C)cc1S(=O)(=O)N1CCC[C@H]1c1ccnc2cc(C(C)(C)C)nn12 72391727 ONOYHLMCWXCPMO-KRWDZBQOSA-N 444.605 3.714 0 40 IHAB CCNC(=O)[C@]1(Cc2cc(-c3ccc(C)cc3)no2)CCCN(C(=O)c2ccncc2)C1 72396000 OSNFLXOWNQDVOQ-VWLOTQADSA-N 432.524 3.646 0 40 IHAB COc1ccccc1NC(=O)Cn1c(=O)n(Cc2cccc(Cl)c2)c(=O)c2ccccc21 73679516 JARSUCDGOATYJV-UHFFFAOYSA-N 449.894 3.512 0 40 IHAB CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)c1cccc2c1O[C@@H](C)C(=O)N2 79022727 TVJOCIDVNVBXQE-HNNXBMFYSA-N 437.496 3.683 0 40 IHAB COc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC(C)C)cc1 89888087 MJRBFRHUSMAHFY-UHFFFAOYSA-N 432.542 3.909 0 40 IHAB CCOc1ccc2cc([C@H]3CC(c4cccc(C)c4)=NN3C(=O)CCC(=O)O)c(=O)[nH]c2c1 89914147 JJVDUBYQSJTBTG-JOCHJYFZSA-N 447.491 3.778 0 40 IHAB CC(C)(C(=O)NCC(C)(C)N1CCOCC1)[C@@H](O)c1cccc(OCc2ccccc2)c1 95435196 CRCOSWGOEICPPH-QHCPKHFHSA-N 440.584 3.552 0 40 IHAB O=C(OCc1nc(Cc2ccccc2Br)n[nH]1)c1cccc(-n2cccn2)c1 96006856 KMNYUYIDWFSAQC-UHFFFAOYSA-N 438.285 3.701 0 40 IHAB O=C1CS[C@H](c2c[nH]nc2-c2ccccc2)c2c(O)nn(C3CCSCC3)c2N1 96117418 JPMWACCJTQWRAC-GOSISDBHSA-N 427.555 3.822 0 40 IHAB O=C(O)C12C[C@H]3C[C@H](C1)CC(n1ncc(Nc4ccc5c(c4)OCO5)c(Cl)c1=O)(C3)C2 101092404 MWPWITJYJPAFNM-JXKJVBJKSA-N 443.887 3.749 0 40 IHAB Cc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H]([C@H]6C[C@H]56)[C@@H]4C3=O)cc2)cc1 101221731 DSQGBAWXLOHXGX-JKNQRQLFSA-N 441.483 3.592 0 40 IHAB COc1ccc(C2=NN(c3ccccc3)[C@H]3C(=O)N(c4ccc(C(C)=O)cc4)C(=O)[C@@H]23)cc1 101362086 FHYAABJNXLNRNY-LADGPHEKSA-N 439.471 3.680 0 40 IHAB Cc1ccc(-c2ccc(OC(=O)CN3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@H]6C[C@H]56)[C@H]4C3=O)c(C)c2)cc1 102077268 NRKQJMWKFLHSAS-KHODRUNXSA-N 427.500 3.929 0 40 IHAB Cc1cccc(NC(=O)c2cc(NC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)ccc2Cl)n1 102836995 MHGBPOXZAIBOHN-WXPXUSHHSA-N 425.872 3.757 0 40 IHAB CC(=O)O[C@@H](C)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 123406472 YSWRIYFDFKLCHS-NNSACPSSSA-N 436.589 3.614 0 40 IHAB CC[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220582285 INGVDQJSCFBNNR-NRFANRHFSA-N 443.569 3.614 0 40 IHAB CCOc1cccc(NC(=O)[C@H](CC)N(c2cc(Cl)ccc2OC)S(C)(=O)=O)c1 222496592 DRJBRCQMOVZNRC-KRWDZBQOSA-N 440.949 3.931 0 40 IHAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2C[C@@H]2CCCO2)N1c1ccc2c(c1)OCO2 224008062 QEKBBRJTRDFBFL-PDIWNELESA-N 448.548 3.968 0 40 IHAB Cc1ccc(OCCNC(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)cc1C 224119102 LXBFYLMETLRBEH-UHFFFAOYSA-N 438.549 3.941 0 40 IHAB Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)NCCCOC3CCCC3)c2)c1 224142429 SGRMZRJPPXXGJY-UHFFFAOYSA-N 430.570 3.899 0 40 IHAB CCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1cc(C)cc(C)c1C 224545440 PSFQSFCBAHLUSK-JOCHJYFZSA-N 426.557 3.943 0 40 IHAB Cc1nc(N2CCC(NC(=O)COc3ccc(Cl)cc3C)CC2)cc(C(F)(F)F)n1 225727229 BRTWCOAAMYMXMT-UHFFFAOYSA-N 442.869 3.930 0 40 IHAB C[C@@H]1CCCN(c2cc(N3CCOCC3)nc(NC(=S)N[C@H](C)c3ccccc3)n2)C1 225959772 WBTZNEHIBAJBGL-QZTJIDSGSA-N 440.617 3.597 0 40 IHAB Cn1nc([C@@H]2CN(C(=O)C3CCC3)CCO2)cc1CCOc1cccc(C(F)(F)F)c1 257220226 DKCGBSCYTMYTPJ-FQEVSTJZSA-N 437.462 3.760 0 40 IHAB COc1ccc(Cc2cnc([C@H]3CCCN(C(=O)CN(C)Cc4cccnc4)C3)o2)cc1 257278695 ODGMBUSNMKXOBB-NRFANRHFSA-N 434.540 3.507 0 40 IHAB CCOc1ccc(N([C@H](C)C(=O)NCc2ccc3ccccc3c2)S(C)(=O)=O)cc1 260840400 UUGKOVQQLKYKMS-QGZVFWFLSA-N 426.538 3.709 0 40 IHAB C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)c1ccc2c(c1)CCCC2 260924589 IPYKRUUKZGPZIB-AVRDEDQJSA-N 426.582 3.844 0 40 IHAB Cc1ncsc1CN1CCC2(CC1)COc1ccccc1S(=O)(=O)N(C(C)C)C2 306141778 WGGKSVPSZVGOSD-UHFFFAOYSA-N 435.615 3.525 0 40 IHAB CS(=O)(=O)N(CC(=O)Nc1ccc(OCc2ccccc2)cc1)Cc1ccc(F)cc1 408618705 FEADPUYVSRZDEW-UHFFFAOYSA-N 442.512 3.805 0 40 IHAB CCc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)c2)cc1 408656850 JICXHLDXYJBVIH-ZCVTWQBDSA-N 446.503 3.580 0 40 IHAB COc1ccc(OCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@]2(O)C(F)(F)F)cc1 409357106 IWGKKKASKGEQIT-SFHVURJKSA-N 428.794 3.615 0 40 IHAB NC(=O)c1cn(CC(=O)NCc2nc(-c3cc4ccccc4o3)cs2)c2ccccc12 547823174 XNIHLTTZWZCKFQ-UHFFFAOYSA-N 430.489 3.926 0 40 IHAB O=C(Cc1cccc(C(F)(F)F)c1)N1CCC[C@@H](Oc2ncc(Br)cn2)C1 575611671 FQPVDYYOIVTGEC-OAHLLOKOSA-N 444.251 3.870 0 40 IHAB C[C@H]1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(CC(F)(F)F)c2)c1 682465817 SRFDVYLGKXIVQP-ZDUSSCGKSA-N 441.429 3.650 0 40 IHAB Cc1nc(C)c(-c2ccc(=O)n(CC3CCN(c4ncnc5c4CCCC5)CC3)n2)s1 1888913384 GOGGRQTZSBPAHX-UHFFFAOYSA-N 436.585 3.569 0 40 IHAB O=C(NC[C@@H](c1ccsc1)c1ccco1)c1ccc(S(=O)(=O)N2CCCC2)cc1 1889021435 PKWUMBORGPWUQZ-IBGZPJMESA-N 430.551 3.688 0 40 IHAB Cc1c(CN(C)C(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)cnn1C 902250 AVUVTGFQHAYJDR-UHFFFAOYSA-N 425.436 3.548 0 40 IHAB Cc1cccc(N(C(=O)c2csnn2)[C@@H](C(=O)NC2CCCC2)c2ccncc2)c1C 1357337 XKAOPHSUYBKKDP-OAQYLSRUSA-N 435.553 3.997 0 40 IHAB CCS(=O)(=O)N1CCN(c2nc(C)nc3sc4c(c23)CC[C@@H](C(C)(C)C)C4)CC1 1377157 ICVPHRQMQOZRIP-OAHLLOKOSA-N 436.647 3.622 0 40 IHAB O=C(Nc1cccc(-c2nnco2)c1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 32777341 JEPCFRSZUJAPAA-NRFANRHFSA-N 438.443 3.583 0 40 IHAB CCOC(=O)c1c(NC(=O)c2nn(-c3cccc(Cl)c3)ccc2=O)sc2c1CCC2 12111615 VLFSRERBRKTZMC-UHFFFAOYSA-N 443.912 3.865 0 40 IHAB CCOC(=O)c1ccc(C)c(NC(=O)CCCN(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 10445664 WARWKIZYMKWDNN-UHFFFAOYSA-N 446.569 3.973 0 40 IHAB COc1ccc([C@H](CC(C)C)NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 20050911 PFIUDEQKDSOLKI-NRFANRHFSA-N 432.586 3.982 0 40 IHAB O=C(Nc1ccc(F)cc1)c1nnc(CN2CCC[C@H](C(=O)Nc3ccccc3)C2)s1 23004373 BXCDVWSJXVTNLJ-HNNXBMFYSA-N 439.516 3.780 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2C)c2ccccc2F)cc1 22385309 OHGVXNADWQJGJD-UHFFFAOYSA-N 442.512 3.654 0 40 IHAB CCC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OCC)c(C)c1 22247443 OXRHHIXIKJQCDK-GHTZIAJQSA-N 432.586 3.588 0 40 IHAB CC(=O)N(c1nnc(SCC(=O)Nc2ccccc2OCC(F)(F)F)s1)C1CC1 25048224 IJMFBXLIRFWFNG-UHFFFAOYSA-N 446.476 3.725 0 40 IHAB COc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)C(C)C)CC3)c(Cl)c2)c(OC)c1 57313879 YTBZGJRVOBGYGK-UHFFFAOYSA-N 445.947 3.914 0 40 IHAB CCN1C(=O)COc2ccc(-c3csc(NC(=O)c4ccc(OC)c(OC)c4)n3)cc21 19796494 AUIIYUJQTGTUKO-UHFFFAOYSA-N 439.493 3.825 0 40 IHAB Cn1c(C[C@H](NC(=O)c2cccc(S(C)(=O)=O)c2)c2ccccc2)nc2ccccc21 12601275 RRTLVKLAVXRUOO-NRFANRHFSA-N 433.533 3.691 0 40 IHAB COC(=O)C1=C(CN2CCC(Cc3ccccc3)CC2)NC(=O)N[C@H]1c1cccc(F)c1 57415552 NEGPRLDWJLBYPF-QHCPKHFHSA-N 437.515 3.561 0 40 IHAB CCCCn1c(=O)[nH]c2cc(-c3nc(-c4ccc(Br)cc4)no3)ccc2c1=O 57510610 SHTDTIQCZAJMKR-UHFFFAOYSA-N 441.285 3.969 0 40 IHAB COc1cccc(N2C(=O)S/C(=C\c3cc4cc5c(cc4nc3O)OCCO5)C2=O)c1 102747648 RHRXDZDOSCDSEY-OCKHKDLRSA-N 436.445 3.961 0 40 IHAB COc1ccc([C@@H](CNC(=O)COc2ccccc2C(N)=O)c2c[nH]c3ccccc23)cc1 12747424 AYDMCYKVFJFOEI-OAQYLSRUSA-N 443.503 3.603 0 40 IHAB COc1cc2c(cc1OC)-c1cc(Nc3ccccc3Br)nc(=O)n1CC2 2109844 MZXNYMUMENOMBL-UHFFFAOYSA-N 428.286 3.990 0 40 IHAB biogenic COc1ccc(C(=O)C2CCN(C(=O)CNC(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 12741729 XCXOALVEVZNESB-UHFFFAOYSA-N 436.552 3.844 0 40 IHAB Cc1ccc(O[C@H](C)C(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1 12765196 KCHLODOKQPIHMZ-GOSISDBHSA-N 428.554 3.526 0 40 IHAB Cc1ccc([C@H](CN2CCOCC2)NC(=O)c2cccc(OCc3c(C)noc3C)c2)cc1 23908087 JNOYBVUTYBDZCQ-VWLOTQADSA-N 449.551 3.982 0 40 IHAB CCC(CC)c1nnc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)s1 12852031 BOPGZDMOYNXFAM-KRWDZBQOSA-N 436.603 3.932 0 40 IHAB CCOc1ccc([C@H](CNC(=O)c2cc(Cl)ccc2F)N2CCOCC2)cc1OC 12816120 MCVJVXLBAFNLJW-IBGZPJMESA-N 436.911 3.690 0 40 IHAB CC(C)[C@@H](NC(=O)c1cccs1)C(=O)Nc1cc2c(cc1Br)OCCO2 36728778 LPIOSAOFELQBOB-MRXNPFEDSA-N 439.331 3.675 0 40 IHAB CN(C)[C@H](CNC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1)c1cccc(F)c1 12911335 QBTDOTAQCIAHRN-HSZRJFAPSA-N 445.494 3.655 0 40 IHAB CC(=O)N1CCCc2cc(S(=O)(=O)N[C@H](C)c3ccccc3Br)ccc21 12946593 UHXSMVIUIUZAEP-CYBMUJFWSA-N 437.359 3.788 0 40 IHAB Cc1cc(N2CCN(CC(=O)Nc3ccc(C)c(Br)c3)CC2)nc(C(C)C)n1 13007864 PBSCOOUUNVZTNM-UHFFFAOYSA-N 446.393 3.740 0 40 IHAB COc1cc(OC)c([C@H]2CC(=O)N(c3ccc(F)cc3)c3c2sc(=O)n3C)cc1OC 49547006 DTNQXHIWTFGBTD-OAHLLOKOSA-N 444.484 3.812 0 40 IHAB CCOc1cc(C(=O)Nc2ccc(NC(C)=O)cc2)ccc1OCC(=O)N1CCCCC1 8690707 OLSKSELNRGSAFZ-UHFFFAOYSA-N 439.512 3.687 0 40 IHAB Cc1ccc2c(=O)cc(C(=O)N(Cc3ccccc3Cl)[C@@H]3CCS(=O)(=O)C3)oc2c1 8612197 LHTRADPOXOQFMN-MRXNPFEDSA-N 445.924 3.584 0 40 IHAB O=C(OCc1cccc2ccccc12)c1ccc2c(O)nc(CN3CCOCC3)nc2c1 8763046 ZUFSNCSRLLBMHU-UHFFFAOYSA-N 429.476 3.678 0 40 IHAB Cc1ccc(N([C@@H](C)C(=O)Nc2ccccc2C(=O)NC(C)(C)C)S(C)(=O)=O)cc1C 408629620 FGOBXUZKGGITOG-KRWDZBQOSA-N 445.585 3.625 0 40 IHAB C[C@@H](NC(=O)CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)c1cccc2ccccc12 8771006 BMUNLFIZXPIRBM-OYLFLEFRSA-N 433.533 3.862 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1ccccc1F)n2CC 14493763 WDKSFWOCHRTLON-UHFFFAOYSA-N 446.548 3.797 0 40 IHAB CCOc1ccc([C@H](C)NC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)cc1 22523662 CYLIQUPXQNNRBM-ZDUSSCGKSA-N 428.913 3.521 0 40 IHAB COc1ccc(NC(=O)Cn2nnc(C(=O)Nc3c(C)cccc3C)c2C)cc1Cl 71327239 MCUJGFWQJQVJFH-UHFFFAOYSA-N 427.892 3.756 0 40 IHAB CCOC(=O)C1=NN[C@]2(CCc3ccccc3C2=O)[C@H]1c1ccc(Br)cc1 9216367 VWXLTEARPYDCAD-LAUBAEHRSA-N 427.298 3.623 0 40 IHAB CC(C)OCCCNS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 20766951 AYOYINKKRNUCMH-UHFFFAOYSA-N 434.533 3.512 0 40 IHAB Cc1csc2nc(COC(=O)c3ccccc3CSC3=NCCS3)cc(=O)n12 9556616 PPVMQKMKWYSAMI-UHFFFAOYSA-N 431.564 3.757 0 40 IHAB CC(=O)Nc1cc(-c2csc(C)n2)ccc1OCC(=O)NCc1ccc2c(c1)OCO2 9666058 DEIMSGNEXKLIQU-UHFFFAOYSA-N 439.493 3.501 0 40 IHAB CC(=O)c1oc2ccccc2c1NC(=O)CSc1nnc(NC[C@H]2CCCO2)s1 9665042 QWOBYFIOFGMOAH-GFCCVEGCSA-N 432.527 3.809 0 40 IHAB Cc1ccc(NC(=O)CS[C@@H](C)C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)cc1 9709339 JHOXSGSFOHNMPK-HNNXBMFYSA-N 436.541 3.682 0 40 IHAB COc1ccc(-n2ccc(C(=O)N[C@@H](C)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2)cc1 95393868 VKKNHQYVQHYCQE-DLBZAZTESA-N 428.533 3.646 0 40 IHAB CSc1nc(N2CCCCC2)c2cc(C(=O)Nc3ccc(C(N)=O)cc3)sc2n1 408618249 FHBJQRVAFWJICG-UHFFFAOYSA-N 427.555 3.755 0 40 IHAB Cc1[nH]nc(C(F)F)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](C)C2)c1 95456729 YLQOEXLCYDKTMI-SNVBAGLBSA-N 446.907 3.982 0 40 IHAB CCOC(=O)COc1ccc(/C=C2\SC(=O)N(CC(=O)c3ccccc3)C2=O)cc1 409219142 JIRPSVVITJKPMT-UNOMPAQXSA-N 425.462 3.548 0 40 IHAB CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 20455607 KLADEFAPBDOQJQ-IBGZPJMESA-N 446.569 3.974 0 40 IHAB COc1ccccc1NC(=O)CN(Cc1ccccc1F)S(=O)(=O)c1ccc(C)cc1 409060993 BGLOLLJHUVSUIJ-UHFFFAOYSA-N 442.512 3.972 0 40 IHAB CCOc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)ccc1OCC(=O)O 409008014 UOQKBWWFABFNTQ-UYRXBGFRSA-N 427.478 3.828 0 40 IHAB COc1ccc(Br)cc1C(=O)CCC(=O)N(C)C[C@@H]1COc2ccccc2O1 33024145 QRGHLDDLDYQVKT-OAHLLOKOSA-N 448.313 3.719 0 40 IHAB O=S(=O)(Nc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCC2)c1ccccc1 35587815 BNXXREGASDINOW-UHFFFAOYSA-N 428.535 3.629 0 40 IHAB COc1ccc2c(c1)CCN(C(=O)[C@H]1C[C@H]3CC[C@]1(C)C[C@]31NC(=O)c3ccccc3N1)C2 72326983 PWOBWHXWAHNHDG-GIYNMQSDSA-N 445.563 3.958 0 40 IHAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1 216283559 VXEPOANPFNINKS-FQEVSTJZSA-N 440.525 3.690 0 40 IHAB O=C(CN1CCOCC1)N1CCC[C@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1 72349697 DWHMBVANUIZIDH-SFHVURJKSA-N 433.474 3.806 0 40 IHAB CC1=C[C@@H](CN2CCC(C(N)=O)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2cccnc2)o1 30882930 OBUCUZOGXCBKBC-FKBYEOEOSA-N 437.588 3.726 0 40 IHAB biogenic,in-vitro CCOC(=O)c1cccc(NC(=O)[C@H](CC)N(c2ccc(C)cc2)S(C)(=O)=O)c1C 219099441 RCVBBFCRZSZIMC-FQEVSTJZSA-N 432.542 3.663 0 40 IHAB Cc1nc(C)c(-c2ccc(=O)n(CCNC(=O)c3csc(-c4ccccc4)n3)n2)s1 49030793 VRKBMOGSAVMNSG-UHFFFAOYSA-N 437.550 3.537 0 40 IHAB CC(=O)N1CCC[C@H](c2ccccc2CC2(C(N)=O)CCN(C3CCCCC3)CC2)C1 72372436 KZOVPQFKRUHESJ-QFIPXVFZSA-N 425.617 3.855 0 40 IHAB CC1(C)C[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c2ccccc2O1 225489084 IXNVPILUZSAWRO-FQEVSTJZSA-N 446.544 3.645 0 40 IHAB O=C(/C=C/c1ccco1)N1CCC(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 43960657 SHQFSIHVJVCFJD-VOTSOKGWSA-N 442.459 3.529 0 40 IHAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)cc1Cl 223832710 OXGAUVRZQLNSHD-UHFFFAOYSA-N 432.281 3.758 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCCOc1ccccc1)c1cccc(Cl)c1Cl 224900358 SPUOMHKAMCYTLX-UHFFFAOYSA-N 445.368 3.735 0 40 IHAB CC[C@H](C(=O)Nc1nnc(SCC(C)C)s1)N(c1cccc(C)c1)S(C)(=O)=O 223999761 TZNBMDZMLYRXKY-OAHLLOKOSA-N 442.632 3.778 0 40 IHAB CC[C@@H](C(=O)Nc1cccc(OC)c1)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 220755148 SSPMJZIXUDETLJ-INIZCTEOSA-N 426.922 3.541 0 40 IHAB COc1cccc(NC(=S)N2CCN(C(=S)Nc3cccc(OC)c3)[C@@H](C)C2)c1 40161431 MWAAZYZAYUOLHZ-HNNXBMFYSA-N 430.599 3.804 0 40 IHAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1cc(Cl)cc(Cl)c1 223033408 QPWCMFJXLLZQFK-UHFFFAOYSA-N 431.341 3.824 0 40 IHAB CSc1cccc(N(CC(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)S(C)(=O)=O)c1 220075431 VZFYSXZKTWOTER-IBGZPJMESA-N 448.610 3.902 0 40 IHAB COc1ccc(CNC(=S)Nc2nc(N3CCCCC3)cc(C(F)(F)F)n2)cc1 225932427 NONCHLYUUMBXSN-UHFFFAOYSA-N 425.480 3.981 0 40 IHAB O=S(=O)(c1cccc2cccnc12)N1CCC(Oc2ncccc2Br)CC1 96097013 CBKOYRFHJVXDER-UHFFFAOYSA-N 448.342 3.624 0 40 IHAB CCN(CC)C(=O)c1cnc(C)nc1[C@H]1CC[C@H](CNC(=O)CC[C@@H]2CCCO2)CC1 257297401 RHCUZDBTCQUSDP-UFYCRDLUSA-N 430.593 3.616 0 40 IHAB Cc1nnc(Nc2cccc([C@@H]3CN(C(=O)COc4c(C)cccc4C)CCO3)n2)s1 257334939 YHXWTCSLRBREQQ-SFHVURJKSA-N 439.541 3.581 0 40 IHAB CCc1ccc(N([C@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)cc1 260588324 IHBPNZQXGWQNHE-UZLBHIALSA-N 430.570 3.822 0 40 IHAB CN1CCN(S(=O)(=O)c2ccc(Br)c(Cl)c2)[C@H](c2ccccc2)C1 1189141451 OKPDZWVALWEUGJ-KRWDZBQOSA-N 429.767 3.780 0 40 IHAB O=C1OC(c2ccc(I)cc2)=N/C1=C/c1ccc(Br)o1 1084923 XOPRREJJEHSDNX-YRNVUSSQSA-N 444.022 3.991 0 40 IHAB C[C@H]1CN(c2ncc3c(n2)CC(C)(C)C[C@H]3NC(=O)CCc2ccccc2F)C[C@@H](C)O1 12240719 ILFUZYLDOBZFAA-LLGFUMIMSA-N 440.563 3.992 0 40 IHAB COc1cc(C)ccc1OCC(=O)N1CC[C@H](c2cc3nc(C)cc(C(F)(F)F)n3n2)C1 12258065 SRYGQTAFYGGPDS-HNNXBMFYSA-N 448.445 3.768 0 40 IHAB CCS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(Cl)cc2C(F)(F)F)Oc2ccccc21 13682001 XBUWEVDDMLLGTK-MRXNPFEDSA-N 448.850 3.915 0 40 IHAB COc1ccc(OCC(=O)N2CC[C@@H](c3cc(-c4ccc(C)cc4)nc(N(C)C)n3)C2)cc1 19212178 OMVRZWABGRCVAC-HXUWFJFHSA-N 446.551 3.922 0 40 IHAB CSCC[C@@H](NC(=O)c1cc2c(C)cccc2[nH]1)c1cc(=O)[nH]c(-c2ccccn2)n1 19236678 GUXVYTMMIZISBC-QGZVFWFLSA-N 433.537 3.846 0 40 IHAB Cc1ccsc1CN1CCc2nc([C@@H]3CCCN3C(=O)C3CCCCC3)[nH]c(=O)c2C1 19238669 XYQPQAOGDURNBX-FQEVSTJZSA-N 440.613 3.942 0 40 IHAB CC(C)NC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)c2ccccn2)CCO1 19449708 PLEIWBLGLJXRPD-RUZDIDTESA-N 449.576 3.789 0 40 IHAB CCN1CC[C@]2(CCC1=O)C[C@@H](NC(=O)Cn1c(C)nc3ccccc31)c1ccccc1O2 19527090 XZRDJNAXXGIBED-QFQXNSOFSA-N 446.551 3.756 0 40 IHAB Cc1nn(C)cc1CN1CCO[C@H](c2cc(C(=O)Nc3nccs3)c3ccccc3n2)C1 19759720 OEFBEDWAFHBWAY-NRFANRHFSA-N 448.552 3.559 0 40 IHAB Cc1cc(C(F)(F)F)n2nc([C@H]3CCCN(C(=O)Cn4nc(C)c(C)c4C)C3)cc2n1 12257714 GBKGBDAWBWAYLR-INIZCTEOSA-N 434.466 3.584 0 40 IHAB COc1ccc(OC)c(CN2CCN(C)C(=O)[C@H](Cc3ccccc3-c3ccncc3)C2)c1 19589678 SXHOBBLNKWPJRJ-HSZRJFAPSA-N 445.563 3.899 0 40 IHAB CCOC(=O)[C@@H]1CCCN([C@@H](c2ccc(OCC)cc2)c2sc3nc(C)nn3c2O)C1 22626210 LAAOEHWWDROFND-AEFFLSMTSA-N 444.557 3.568 0 40 IHAB CO[C@@H]1CCCN2C(=O)c3ccc(F)c(c3)OCCN(Cc3cscn3)CCCC[C@H]12 2037985660 RIBIVCAQWJEKEY-NHCUHLMSSA-N 447.576 3.967 0 40 IHAB O=C(NC1CCCCC1)[C@H]1C[C@@]2(CO1)CN(Cc1cccc(C(F)(F)F)c1)CCO2 2056226033 IGALZFSUUMOTFF-CTNGQTDRSA-N 426.479 3.514 0 40 IHAB Cc1ccccc1Cn1c(=O)c2c(nc3n2CCCN3c2cccc(Cl)c2C)n(C)c1=O 9519197 LDJMZMDDFZKATO-UHFFFAOYSA-N 449.942 3.757 0 40 IHAB CCc1ccc(-c2ccc3nnc(SCC(=O)Nc4ccc5c(c4)OCO5)n3n2)cc1 9829110 ZCELUHVCMIOEFW-UHFFFAOYSA-N 433.493 3.813 0 40 IHAB CCCOc1cn(-c2ccc(F)cc2)nc1C(=O)N1CCN(c2ccccc2OC)CC1 11694383 WMSPTUJCCKNOIN-UHFFFAOYSA-N 438.503 3.771 0 40 IHAB CC(=O)c1ccc(NC(=O)CSc2nnc3c4cc(-c5ccccc5)nn4ccn23)cc1 38486962 YBBILLZVUAWJTB-UHFFFAOYSA-N 442.504 3.977 0 40 IHAB CCC(=O)Nc1ccc2c(c1)c(=O)n(-c1ccccc1)n2CC(=O)Nc1ccc(OC)cc1 49400973 BVWKMRVVYYFBLT-UHFFFAOYSA-N 444.491 3.788 0 40 IHAB COc1ccccc1CC(=O)N1CCC(Cn2nc(-c3ccc(F)cc3)ccc2=O)CC1 585147568 XZXCLOWLKKZSON-UHFFFAOYSA-N 435.499 3.539 0 40 IHAB Cc1cc(C)n([C@@H](CNS(=O)(=O)c2ccc(Br)s2)c2ccsc2)n1 575612933 DNXAPXZZOJNMSY-ZDUSSCGKSA-N 446.417 3.953 0 40 IHAB COc1cccc([C@@H](c2sc3nc(C)nn3c2O)N2CCN(c3ccccc3)CC2)c1 23157900 IDIXUNFOOSYCPJ-FQEVSTJZSA-N 435.553 3.725 0 40 IHAB CC(C)(C)OC(=O)NCC1CCC(C(=O)Nc2ccc(CN3CCOCC3)cc2)CC1 20677561 OMUZXQFRLHAOCN-UHFFFAOYSA-N 431.577 3.788 0 40 IHAB COc1ccc(-c2nc(C(=O)NC[C@@H](c3ccc(C)cc3)N3CCOCC3)cs2)cc1 40156864 MCWYLYDYUPJZEJ-QFIPXVFZSA-N 437.565 3.930 0 40 IHAB CCN(Cc1ccc(OCc2cccs2)c(OC)c1)[C@@H](C)c1nc(N)nc(N(C)C)n1 40017908 VUJHHPYZKFWKPZ-HNNXBMFYSA-N 442.589 3.752 0 40 IHAB COc1cccc(C2=NO[C@@]3(CC(=O)N(c4cccc(C(F)(F)F)c4)C3=O)C2)c1OC 40287262 JLHCUPHDAHLBAQ-HXUWFJFHSA-N 434.370 3.549 0 40 IHAB COc1ccc(CCNC(=O)c2nc(-c3ccc(Cn4nc(C)cc4C)cc3)no2)cc1 32092358 GFWDCWRSDYXJDV-UHFFFAOYSA-N 431.496 3.579 0 40 IHAB O=C(COC(=O)C1CCC(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)CC1)c1ccc(Cl)cc1 101226553 PWBWMZUUULZMEX-SMFUMEQPSA-N 443.927 3.656 0 40 IHAB COC(=O)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1Cl)C(C)C 20727483 LCCQVBGVFQQFLS-RDJZCZTQSA-N 425.316 3.571 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)c2ccc(C)cc2)cc1 655003 RNDFWOFEROWYIU-YYDVJCTNSA-N 442.581 3.894 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3c(C)cc(C)cc3C)CC2)cc1OC 810099 BFARZVRRTHJXPA-UHFFFAOYSA-N 446.569 3.668 0 40 IHAB COc1cc(CNc2nc3cc(C(F)(F)F)ccc3nc2C(=O)O)cc(OC)c1OC 1651372 SFXDEUHOPIPJQQ-UHFFFAOYSA-N 437.374 3.985 0 40 IHAB Cc1cc(NC(=O)[C@H]2CCC(=O)N2[C@@H]2OC(=O)c3ccccc32)ccc1Br 2151752 AKWHVGTZAXRADV-VQIMIIECSA-N 429.270 3.556 0 40 IHAB biogenic CCOC(=O)CCCNC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 3273592 OZEMPNUBOCQGFN-UHFFFAOYSA-N 436.537 3.757 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)Oc2ccccc2C(=O)OCC(=O)N2CCCC[C@@H]2C)c1 3311935 VQRXZGSODLPZEP-SFHVURJKSA-N 445.537 3.629 0 40 IHAB CCCn1c(=O)c2ccccc2n2c(S[C@@H](C)C(=O)Nc3ccc(Cl)cn3)nnc12 3375579 XIYQEXHNUAVPMY-LBPRGKRZSA-N 442.932 3.622 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)c2c(C)[nH]c3ccccc23)ccc1C 3385326 YHWVDPOAPSJSAH-UHFFFAOYSA-N 442.537 3.855 0 40 IHAB O=C1Nc2ccc(-c3ccc(Cl)cc3)cc2C(=O)N2CCN(C(=O)c3ccccc3)C[C@H]12 4235911 DEJGISRFLGZMDG-JOCHJYFZSA-N 445.906 3.926 0 40 IHAB biogenic,in-vitro CC(C)CC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)cc1 7001677 KBBOHROMOVEHKE-VOIUYBSRSA-N 427.545 3.991 0 40 IHAB COc1cc(C(=O)Nc2ccc3c(c2)CN(C(=O)c2ccco2)CC3)cc(OC)c1OC 9036264 PZUCMZIQFVMUCV-UHFFFAOYSA-N 436.464 3.756 0 40 IHAB COc1cccc(C(=O)N(Cc2ccc(-c3ccc(F)cc3)o2)[C@@H]2CCS(=O)(=O)C2)c1 9042577 QUAYXUXYFJCWSI-LJQANCHMSA-N 443.496 3.924 0 40 IHAB Cc1csc(N(C(=O)[C@@H]2Cc3ccccc3CN2S(C)(=O)=O)c2ccccc2)n1 9167600 FRUDVFHIAIQPMW-IBGZPJMESA-N 427.551 3.503 0 40 IHAB O=C(C[C@H]1C(=O)NCCN1C(=S)Nc1ccccc1)Nc1cccc(Cl)c1Cl 9190057 JBKQQOICJNSXAP-HNNXBMFYSA-N 437.352 3.519 0 40 IHAB CCc1nnc2n1N[C@@H](c1ccc(OC)cc1)[C@@H](C(=O)Nc1ccccc1Cl)S2 9197230 FZHAKYCOUQIITQ-ROUUACIJSA-N 429.933 3.900 0 40 IHAB O=C(Nc1ccc2c(c1)OCCO2)[C@H]1CC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1 9199141 WTYXZJWRCOBSJG-HNNXBMFYSA-N 439.899 3.622 0 40 IHAB Cc1cccc(-c2nc3scc(CCNC(=O)C(=O)Nc4ccccc4Cl)n3n2)c1 9569090 MNRWQKBVSDGQPE-UHFFFAOYSA-N 439.928 3.717 0 40 IHAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NCCc1ccc2c(c1)OCCO2 10042928 RVOYFXXVDBWPBM-UHFFFAOYSA-N 430.508 3.562 0 40 IHAB O=S(=O)(c1ccccc1)n1nc(-c2cccnc2)nc1NCc1cccc(Cl)c1 10060261 NYMDKHONGYPRFY-UHFFFAOYSA-N 425.901 3.843 0 40 IHAB CC(C)COC(=O)N1C[C@H](O)C[C@H]1C(=O)OCC(=O)c1ccc(C2CCCCC2)cc1 10129306 OMWDIVSRTGAPKO-RTWAWAEBSA-N 431.529 3.688 0 40 IHAB Cc1c(C(=O)N2CCC3(CC2)C[C@@]2(CO3)NC(=O)c3ccccc3N2)oc2ccccc12 12085483 YKWKQKWYUNJMQW-VWLOTQADSA-N 431.492 3.688 0 40 IHAB COc1cc(C(=O)N[C@H](c2ccccc2)c2nccn2C)cc(OC)c1Br 12507612 LSOCHJYDZACFMA-GOSISDBHSA-N 430.302 3.719 0 40 IHAB COc1cc([C@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCO3)ccc1OCC(=O)O 12532699 OYVLMCGEZBGVQP-QHCPKHFHSA-N 448.431 3.658 0 40 IHAB O=C(COC(=O)c1cc(Cl)ccc1Cl)NC(=O)NC12CC3CC(CC(C3)C1)C2 12643106 CDOWZGLCSXZIAC-UHFFFAOYSA-N 425.312 3.945 0 40 IHAB COc1ccc([C@@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 12773719 NIZJQJZZSHNLHN-QFIPXVFZSA-N 446.544 3.599 0 40 IHAB Cc1sc(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)nc1-c1ccc(F)c(F)c1 12893871 UFXRZUPXRIBLBP-UHFFFAOYSA-N 449.504 3.971 0 40 IHAB COc1cccc(Cc2cnc(NC(=O)Cc3ccc(OC)c(OC)c3OC)s2)c1 12913903 CKPXUIYZBZQJPQ-UHFFFAOYSA-N 428.510 3.950 0 40 IHAB Cc1cc(C)cc(C(=O)NCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 13099099 SZVLDNPIFWWHCP-UHFFFAOYSA-N 441.575 3.967 0 40 IHAB CNc1nnc(SCC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)s1 13127782 RXRWGRFRKPGZKX-UHFFFAOYSA-N 434.568 3.738 0 40 IHAB O=S(=O)(Nc1cccc(Cl)c1Cl)c1ccn(S(=O)(=O)c2ccccc2)c1 13585728 VSUONPDSKAWSCR-UHFFFAOYSA-N 431.322 3.833 0 40 IHAB Cc1[nH]c2ccc(F)cc2c1CCNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 13691203 ZYTDFKJZWDKCLZ-UHFFFAOYSA-N 425.479 3.966 0 40 IHAB CC[C@H](C(=O)Nc1cc(OC)c(Cl)cc1OC)N(c1ccccc1)S(C)(=O)=O 13711677 SMPXYDWOJJCOSX-MRXNPFEDSA-N 426.922 3.541 0 40 IHAB COc1ccc(OCCCSc2nnc(N3CCOCC3)n2-c2ccccc2)cc1 14094678 BBAKYVZAYKJZAF-UHFFFAOYSA-N 426.542 3.674 0 40 IHAB Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)NCCCN3CCOCC3)cc12 14182288 RLWRUVOTCMZTNR-UHFFFAOYSA-N 432.977 3.560 0 40 IHAB COc1cccc(CCC(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)c1OC 14244475 KUHDSOIWHVMQIM-UHFFFAOYSA-N 427.526 3.721 0 40 IHAB CC(C)n1nccc1NC(=O)CN(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 14245185 UGCYDDGBOKEMKT-UHFFFAOYSA-N 431.846 3.645 0 40 IHAB O=C(Nc1ccc(Br)cc1F)c1cccc(S(=O)(=O)N2CCCC2)c1 15008322 ICIGKNSLDUPMQA-UHFFFAOYSA-N 427.295 3.625 0 40 IHAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2ccco2)CCC3)c1 16944953 IWBRXAXKQUWSLL-UHFFFAOYSA-N 442.493 3.691 0 40 IHAB CC(=O)N1Cc2ccccc2OC2(CCC(N(C)C(=O)COc3ccccc3F)CC2)C1 19019895 ZQUGMCRCLUWKHP-UHFFFAOYSA-N 440.515 3.785 0 40 IHAB Cc1cccc(CC(=O)N2CCC[C@H]2c2c(-c3ccnc(N4CCCC4)n3)cnn2C)c1 19234707 YFMCQAMURLXTMF-QFIPXVFZSA-N 430.556 3.692 0 40 IHAB COc1ccc(-c2cc(-c3cccnc3)n(CCNC(=O)c3cc(C(C)C)n[nH]3)n2)cc1 19451959 HGGMODAXMZTRHE-UHFFFAOYSA-N 430.512 3.897 0 40 IHAB CC[C@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCN(CC(=O)NCCc4ccccc4)C3)cc2N1 19500907 QSHQDKWTXMNNIN-WSTZPKSXSA-N 449.521 3.729 0 40 IHAB CCCn1ccc(C(=O)N2C[C@H](c3ccc(CN4CCOCC4)cc3)[C@H]3CCCC[C@H]32)n1 19526120 MBFKOYISBBFPJR-VDKIKQQVSA-N 436.600 3.924 0 40 IHAB CNC(=O)[C@]1(Cc2ccccc2-c2ccc(F)cc2)CN(C(=O)c2ccccc2)CCO1 19591861 KQFZMBQQTNSWND-SANMLTNESA-N 432.495 3.693 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1C 20015592 GLZBVKGXSUZELB-INIZCTEOSA-N 438.977 3.935 0 40 IHAB Cn1ccnc1SCc1nc(O)c2cc(Br)cc(Br)c2n1 20989264 AIEWINAUZYIKJR-UHFFFAOYSA-N 430.125 3.886 0 40 IHAB CC(C)n1cnc2nc(COc3cccc(NC(=O)c4cccc(Cl)c4)c3)cc(=O)n21 21796920 BCNOJWGJKNTLRO-UHFFFAOYSA-N 437.887 3.957 0 40 IHAB CCOC(=O)C1CCN([C@@H](c2ccc(CC)cc2)c2sc3nc(CC)nn3c2O)CC1 22853508 QXPZPPAJDAFLKK-IBGZPJMESA-N 442.585 3.986 0 40 IHAB Cc1cc(CN2CCN(CC(=O)c3cc(C)n(CCc4ccc(F)cc4)c3C)CC2)no1 22929440 RLMYWQGNONQHNW-UHFFFAOYSA-N 438.547 3.784 0 40 IHAB Cc1cccc(O[C@@H](C)C(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)c1 25057100 KQYKXBXHYNCUKD-SFHVURJKSA-N 428.554 3.526 0 40 IHAB C[C@@H]1CCCC[C@H]1NC(=O)CNc1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1F 26796717 OWHGDFRCDFHYND-RDTXWAMCSA-N 427.476 3.914 0 40 IHAB COc1ccc(CN(Cc2coc(-c3ccc(F)cc3)n2)[C@@H]2CCS(=O)(=O)C2)cc1 27654598 GVJWKQFCHMQVEQ-HXUWFJFHSA-N 430.501 3.679 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2cc(C)ccc2OC)c(Cl)c1 28208200 NOCSGOOQJCOKNI-UHFFFAOYSA-N 440.949 3.705 0 40 IHAB C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@H](CC[C@@H]3[C@H]1C[C@@H]1[C@@H]3CC(=O)[C@H]3C[C@@H](O)CC[C@@]31C)[C@]2(C)O 29749011 IQDIERHFZVCNRZ-HCWJAZOWSA-N 429.645 3.886 0 40 IHAB O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CN1CCO[C@@H](c2ccc(F)cc2)C1 29894844 UQMHDXXCWHAUIO-HSZRJFAPSA-N 445.494 3.652 0 40 IHAB Cc1ccc([C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c2ccccc2F)c2cccs2)cc1 32819248 FPHLXIUSFHWRIX-FOIQADDNSA-N 432.542 3.768 0 40 IHAB Cn1ccnc1[C@@H](NC(=O)[C@@H]1CCCN(c2ccc(Cl)nn2)C1)c1ccc(Cl)cc1 32913298 VARDXZIPDLKIBZ-BEFAXECRSA-N 445.354 3.639 0 40 IHAB O=C(Nc1ccc(Nc2cc(-n3cccn3)ncn2)cc1)Nc1ccc2c(c1)OCCO2 36705524 CESWUVJSNBSMKG-UHFFFAOYSA-N 429.440 3.821 0 40 IHAB Cc1cc(C(=O)CCC(=O)O[C@H](C)C(=O)NCC(=O)Nc2c(C)cccc2C)c(C)s1 39572992 BKTFSRDMVKFTJH-MRXNPFEDSA-N 444.553 3.631 0 40 IHAB O=C(NCc1ccc(CN2CCc3ccccc32)cc1)[C@H]1CCCN1C(=O)c1ccco1 40090688 AXIHRGSNGNNPOF-HSZRJFAPSA-N 429.520 3.763 0 40 IHAB COc1cccc([C@H]2CC(O)=Nc3c2c(C)nn3-c2ccc3nncn3n2)c1OCC(C)C 40283795 XMQTXLQUYIGMPS-MRXNPFEDSA-N 447.499 3.785 0 40 IHAB COc1ccc(C(=O)NCCNC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)cc1 48301036 NCEQOYNSYDNEDL-UHFFFAOYSA-N 440.503 3.708 0 40 IHAB O=C(NC[C@@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1)c1ccc(F)c(F)c1 56945635 UDGRRNVKVGSNTO-NRFANRHFSA-N 429.442 3.990 0 40 IHAB O=C(Cn1c(=O)n(CCc2cccs2)c(=O)c2ccccc21)Nc1cccc(Cl)c1 57473248 PQXAALCBFNKDJZ-UHFFFAOYSA-N 439.924 3.760 0 40 IHAB Cc1ccc2[nH]c(=O)c(CN(Cc3nnnn3C3CCCCC3)C[C@@H]3CCCO3)cc2c1 57606905 JOINIMRRLQRBEF-NRFANRHFSA-N 436.560 3.509 0 40 IHAB O=C(/C=C/c1ccc(Cl)c(C(F)(F)F)c1)NCC(=O)Nc1ccc(-n2cncn2)cc1 60362335 COKFQRANTHCKLZ-KRXBUXKQSA-N 449.820 3.708 0 40 IHAB O=C(/C=C/c1c(Cl)nc2ccccn12)NC1CCN(C(=O)c2ccccc2F)CC1 60461976 DBPZQZJEDJDMCK-CMDGGOBGSA-N 426.879 3.561 0 40 IHAB COc1ccc(-c2nc3c4ccccc4n(CC(=O)Nc4ccc(C)cc4)c(=O)n3n2)cc1 65535029 CXXFPYACMOCQSQ-UHFFFAOYSA-N 439.475 3.667 0 40 IHAB O=C(c1ccc(OC2CSC2)cc1)N1CCC2(CC1)C[C@@](O)(c1ccc(F)cc1)CO2 72335508 QOMDMWOIAMCXBK-DEOSSOPVSA-N 443.540 3.603 0 40 IHAB CCN1CCN(C(=O)Cc2ccccn2)[C@H](Cc2ccc(-c3cccc(OC)c3)cc2)C1=O 72351463 WZCRXAYIKNURSO-RUZDIDTESA-N 443.547 3.602 0 40 IHAB Cc1cc(C)n(CCCC(=O)N2CCN(C)C(=O)[C@@H]2Cc2cccc(-c3ccccc3)c2)n1 72351797 GNIWKIYLROQRGB-VWLOTQADSA-N 444.579 3.859 0 40 IHAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](c2cc(-c3cnn(C)c3)cc(C)n2)C1 72353730 PHNXPWYVDAXJTG-INIZCTEOSA-N 444.532 3.507 0 40 IHAB Cc1nc(CN(C)C(=O)c2cccc(N3CCCC3)c2)nc2c1CCC(=O)N2CCC(C)C 72370995 KJBIARZXBCUMJJ-UHFFFAOYSA-N 449.599 3.983 0 40 IHAB CN(C)c1ncc(CN2CC[C@H](c3cc(CCOc4ccc(Cl)cc4)[nH]n3)C2)cn1 72371487 QLIBHXVORAXFIP-KRWDZBQOSA-N 426.952 3.530 0 40 IHAB O=C1NCCc2nc(C3CCN(C(=O)CCc4ccccc4)CC3)cc(C(F)(F)F)c21 72379953 UCQRXVDXFVRWFC-UHFFFAOYSA-N 431.458 3.725 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN(Cc1cccc(O)c1)C1CCC(O)CC1 78724188 BCDUUNDFCVIXNP-UHFFFAOYSA-N 448.567 3.939 0 40 IHAB CC(C)S(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@H]2c2nc3ccccc3n2C)c1 78805988 YRMNNDPZXCGEEG-FQEVSTJZSA-N 429.517 3.872 0 40 IHAB O=C(Cn1c(=O)oc2ccccc21)Nc1ccccc1Cc1nc(-c2cccs2)no1 96119753 QRSMYUOXWGVUJD-UHFFFAOYSA-N 432.461 3.936 0 40 IHAB CCN1CCn2c(-c3cccc(F)c3)cnc2C12CCN(C(=O)c1cscn1)CC2 96144993 MIKUUAHSDDVLND-UHFFFAOYSA-N 425.533 3.613 0 40 IHAB COc1cc(NC(=O)Cn2cccc2-c2nc(-c3ccccc3)no2)cc(OC)c1OC 98211287 KFNYGYOAKJUSEN-UHFFFAOYSA-N 434.452 3.870 0 40 IHAB COc1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1)C(=O)/C2=C\N1C[C@H](C)O[C@@H](C)C1 103440792 BSKYHPVDXNYGRX-JRSXESDESA-N 426.900 3.986 0 40 IHAB COc1ccc2ccccc2c1[C@@H]1NC(=O)N[C@](O)(C(F)(F)F)[C@@H]1C(=O)c1ccccc1 106213439 CAPYRYAACVZIHP-CNNODRBYSA-N 444.409 3.952 0 40 IHAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccccc1OCc1ccccc1 218985890 SNDXDFBHLZRCFC-UHFFFAOYSA-N 436.533 3.719 0 40 IHAB COc1ccc(C)cc1N([C@H](C)C(=O)Nc1ccccc1Br)S(C)(=O)=O 220329228 APQHGLHWIPGOOF-CYBMUJFWSA-N 441.347 3.559 0 40 IHAB COc1ccc(C)cc1N([C@H](C)C(=O)NCCCc1ccccc1Cl)S(C)(=O)=O 220342565 JSSMDMKTJQPIDJ-MRXNPFEDSA-N 438.977 3.561 0 40 IHAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 223024379 IZVKWMWJCNFDIR-HXUWFJFHSA-N 436.961 3.645 0 40 IHAB C[C@@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1)c1ccc2c(c1)CCC2 223214367 JGPVRVFWLLLWHN-QGZVFWFLSA-N 444.572 3.734 0 40 IHAB O=C(NCc1nc(-c2cccs2)no1)/C(=C/c1cccs1)NC(=O)c1ccccc1 223246946 ZRBZCGPWRZMWDL-VBKFSLOCSA-N 436.518 3.947 0 40 IHAB COc1ccc(CNC(=O)[C@H](Cc2ccccc2)N(Cc2ccc(OC)cc2)C(C)=O)cc1 223259468 BLLOLIMQITXVBT-SANMLTNESA-N 446.547 3.980 0 40 IHAB CN(C)C(=O)COc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1 223307717 BIILDHOWRLFUGP-UHFFFAOYSA-N 426.494 3.747 0 40 IHAB COC(=O)c1ccc(C)c(S(=O)(=O)NCc2nc(-c3ccc(C(C)(C)C)cc3)no2)c1 223616216 DYUHJBAZVLIOBG-UHFFFAOYSA-N 443.525 3.608 0 40 IHAB CCN(Cc1nc(-c2cccs2)no1)S(=O)(=O)Cc1ccc(Br)cc1 223653975 IDLVSLDQXIWTIJ-UHFFFAOYSA-N 442.360 3.913 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCCN3CCC[C@@H](C)C3)cc2)cc1 224181496 BTNKZYPLBUYORE-HXUWFJFHSA-N 443.613 3.672 0 40 IHAB COc1ccc2cc(S(=O)(=O)Nc3ccccc3C(=O)NC[C@H]3CCCO3)ccc2c1 224723607 JLKFUGRQCFIPOO-LJQANCHMSA-N 440.521 3.558 0 40 IHAB COc1ccc([C@@H]2CN(C(=O)c3cccnc3Oc3ccc(C)nc3)CCN2C(C)=O)cc1 257270477 MUIZZLRBYGAXEA-QHCPKHFHSA-N 446.507 3.632 0 40 IHAB COc1ccc(CNS(=O)(=O)c2ccc(OC)c(NC(=O)c3ccccc3C)c2)cc1 408557265 GDJDPTXIGMKXIZ-UHFFFAOYSA-N 440.521 3.743 0 40 IHAB CCOC(=O)Nc1cc(S(=O)(=O)Nc2ccc(Br)cc2)ccc1OC 408586700 PUHSYYFSBWTUMQ-UHFFFAOYSA-N 429.292 3.827 0 40 IHAB Cc1cc(Br)ccc1NCc1ccc(OCC(N)=O)c(Br)c1 408610212 OIFLJWNBZBSOPL-UHFFFAOYSA-N 428.124 3.996 0 40 IHAB CCCC[C@H](CC)CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccccc1OC 408709728 GMZXLNFRBCBUHM-SFHVURJKSA-N 439.556 3.896 0 40 IHAB Cc1ccc(-c2csc3ncn(CCC(=O)N[C@H](C)c4ccnc(O)c4)c(=O)c23)cc1 502472664 LXNIGVQAVOMBSJ-OAHLLOKOSA-N 434.521 3.802 0 40 IHAB O=C(Cn1cncc(-c2ccccc2)c1=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 509655600 SQBKOFNXRGEGMJ-LJQANCHMSA-N 430.489 3.943 0 40 IHAB C[C@@]1(O)CCN(Cc2ccc3c(c2)OCO3)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CCCC1 514289968 RMTZYPHJLXRRBK-KYPHJKQUSA-N 436.552 3.788 0 40 IHAB biogenic,in-vitro Cc1ccc(N2C[C@@H](C(=O)N3Cc4ccccc4[C@H](c4cnn(C)c4)C3)CC2=O)cc1C 575619480 MHVGXVRTNLESDB-RDPSFJRHSA-N 428.536 3.564 0 40 IHAB COc1cccc(C(=O)N2CCCCN(C)C(=O)c3ccccc3OC[C@@H]2CC(C)C)n1 643584667 TYEIYSMTFGALJN-IBGZPJMESA-N 439.556 3.892 0 40 IHAB O=C(N1C[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@H]2C1)C1(c2ccccc2)CCOCC1 1888876190 BAESSAJQQJOBQV-ROUUACIJSA-N 445.485 3.743 0 40 IHAB Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccco3)Cc3nnnn3Cc3ccco3)cc12 1373113 WGNLQDASFNTJMH-UHFFFAOYSA-N 444.495 3.568 0 40 IHAB COc1ccc(C(=O)N2[C@@H](CC(=O)Nc3cc(C)cc(C)c3)C(=O)N[C@@H]3CCCC[C@@H]32)cc1 2232858 RJUCJJZVFJESCM-VJBWXMMDSA-N 449.551 3.593 0 40 IHAB CN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)N(CCc2ccc(Cl)cc2)C1=S 2239129 PWRUUTYEWWIMCO-QGZVFWFLSA-N 436.364 3.992 0 40 IHAB CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(C)C(=S)N2Cc2ccc(F)cc2)cc1 2730023 KZJXQLIJSZFLAY-IBGZPJMESA-N 429.517 3.571 0 40 IHAB CC(C)Cn1c(SCn2nnc3ccccc3c2=O)nc2cc(Cl)ccc2c1=O 3544364 ZUSQGKAIZQRUFS-UHFFFAOYSA-N 427.917 3.561 0 40 IHAB O=C(Nc1nc(-c2ccccn2)cs1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 5986943 PKHUEAJZOIHKEP-UHFFFAOYSA-N 447.497 3.835 0 40 IHAB CCc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=S)NCCCN(C)C)cc2c1 6197853 INRXPJRFZJWUDJ-UHFFFAOYSA-N 442.654 3.980 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1OCC 8725155 KPSAGRBDPSOBJK-UHFFFAOYSA-N 429.542 3.929 0 40 IHAB CSc1nc(N2CCCC2)c2cnn(CCNC(=O)c3ccc4ccccc4c3)c2n1 8946659 FXRFCWDVSRSABK-UHFFFAOYSA-N 432.553 3.732 0 40 IHAB CC(=O)Nc1ccc(NC(=O)CSc2nnc([C@H](C)Oc3ccccc3)n2C)cc1 9303077 SFGCLFIUUGFHCY-AWEZNQCLSA-N 425.514 3.644 0 40 IHAB CCS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3ccc(Br)cc3)cc2)nn1 9627067 FOKILRDPSFXOKS-UHFFFAOYSA-N 446.326 3.952 0 40 IHAB CCn1c(SCc2ccccc2Br)nc2cc(S(N)(=O)=O)ccc21 9794124 RVOREVWRODZYGB-UHFFFAOYSA-N 426.361 3.758 0 40 IHAB O=C(Cc1csc(NS(=O)(=O)c2ccc(Cl)cc2)n1)N1CCc2ccccc2C1 9828497 NHBFGRDAMGJRBC-UHFFFAOYSA-N 447.969 3.725 0 40 IHAB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2ccc(Br)cc2)n2nnnc2N1 9942119 HBJYWPBQTMXOOZ-SFHVURJKSA-N 439.317 3.980 0 40 IHAB COc1ccccc1-c1nnc(SCc2nnc(-c3cc4c(s3)CCCC4)o2)n1N 10021689 BUNDRCDYKKBTGJ-UHFFFAOYSA-N 440.554 3.950 0 40 IHAB CC[C@@H](C)n1c(C)cn2c3c(=O)n(Cc4c(Cl)cccc4Cl)c(=O)n(C)c3nc12 10103914 DNKBKXRBRPEYRY-LLVKDONJSA-N 434.327 3.784 0 40 IHAB CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2sc(C)c(C)c2C(N)=O)cc1 10165924 PQBDBEUNKNJUFO-UHFFFAOYSA-N 437.587 3.527 0 40 IHAB Cc1noc(C)c1COc1ccc(CC(=O)N2CCN(CCc3ccccc3)CC2)cc1 10234291 BBCFRWROORUZBS-UHFFFAOYSA-N 433.552 3.800 0 40 IHAB Cc1ccccc1OCCn1c(=O)oc2cc(S(=O)(=O)N3CCCCCC3)ccc21 11689635 JJKDYAFEESHNAW-UHFFFAOYSA-N 430.526 3.547 0 40 IHAB Cc1csc2nc(COC(=O)c3nc(-c4ccccc4)n(-c4ccccc4)n3)cc(=O)n12 12805564 HSWDLGXURYWYIZ-UHFFFAOYSA-N 443.488 3.669 0 40 IHAB COc1ccc(CNC(=O)CSc2ccccc2C(=O)OCC(=O)C(C)(C)C)cc1 12931230 JCRHVUXVOREDTA-UHFFFAOYSA-N 429.538 3.876 0 40 IHAB CC[C@H]1c2ccsc2CCN1C(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 12997195 PFNKOVDGPRGLAG-FQEVSTJZSA-N 448.610 3.693 0 40 IHAB CCOc1ccc(N2C(=O)C(=O)N(CC(=O)c3ccc4ccccc4c3)C2=O)cc1OCC 13016033 YHBSDXOZBLODHG-UHFFFAOYSA-N 446.459 3.815 0 40 IHAB Cc1cc2nc(COc3cccc(NC(=O)COc4ccc(Cl)cc4)c3)cc(=O)n2o1 13368495 JOZLAENZBLRVSQ-UHFFFAOYSA-N 439.855 3.846 0 40 IHAB CS(=O)(=O)N(CC(=O)Nc1ccccc1Oc1ccccc1)c1ccc2c(c1)OCO2 13566837 HXTYQVSPWAWZGJ-UHFFFAOYSA-N 440.477 3.612 0 40 IHAB Cc1ccc(CSc2nc(=O)c3c(n2C)NC(=O)C[C@H]3c2ccc3c(c2)OCO3)cc1 13567478 NVEFOXCFHFTJOT-INIZCTEOSA-N 435.505 3.584 0 40 IHAB COc1cc([C@@H]2CC(=O)Nc3nc(C)[nH]c(=O)c32)ccc1OCc1ccc(Cl)cc1 13591873 DTRQURRXEMXZLL-INIZCTEOSA-N 425.872 3.793 0 40 IHAB CCOc1cc(C(=O)NC(=S)Nc2ccc3c(c2)OCCO3)cc(OCC)c1OCC 14271351 YSTZUSAWFHNRMS-UHFFFAOYSA-N 446.525 3.781 0 40 IHAB COC(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)cc1 14467627 DPHYZKYWLXKBAO-UHFFFAOYSA-N 436.917 3.554 0 40 IHAB CCOC(=O)c1sc(NC(=S)NC(=O)c2cccs2)c(C(=O)OCC)c1C 17094981 JJMVQMCOMNJVOY-UHFFFAOYSA-N 426.541 3.598 0 40 IHAB O=S(=O)(NCCc1csc(-c2ccc(Cl)cc2)n1)c1ccc2c(c1)OCCO2 17156835 ZZQQXGARQPRGQF-UHFFFAOYSA-N 436.942 3.756 0 40 IHAB CCN(CC)C(=O)CSc1nc(O)c(Cc2ccccc2)c(=O)n1-c1ccc(C)cc1 17945628 UIUVLIHXEJZEMQ-UHFFFAOYSA-N 437.565 3.798 0 40 IHAB CSCC[C@H](NC(=O)c1cc2c(C)cccc2[nH]1)c1cc(=O)[nH]c(-c2cccnc2)n1 19236681 PPLRJUJRCHLQPG-SFHVURJKSA-N 433.537 3.846 0 40 IHAB Nc1ncc(CN(Cc2ccco2)C[C@H](O)Cn2c3ccccc3c3ccccc32)cn1 19376181 QQHCFHPZTVMADO-IBGZPJMESA-N 427.508 3.823 0 40 IHAB Cc1n[nH]cc1C(=O)N1CCC[C@@](Cc2ccccc2-c2cccnc2)(C(=O)NC(C)C)C1 19582336 SVYAQTMDUQOILR-SANMLTNESA-N 445.567 3.770 0 40 IHAB CN(C)c1ccc(C(=O)N[C@@H](Cc2cc(=O)[nH]c(-c3cccnc3)n2)c2ccccc2)cc1 19584811 QIVANJYQOUVFGN-QHCPKHFHSA-N 439.519 3.612 0 40 IHAB CN(C)c1cccc(C(=O)N2Cc3ccccc3OC3(CCC(N4CCOCC4)CC3)C2)c1 19585070 GQQLLGCZVHFJBF-UHFFFAOYSA-N 449.595 3.801 0 40 IHAB O=C(NCCOc1cccc(F)c1)c1ccc([C@H]2CCCN(Cc3ccccn3)C2)nc1 19752796 NXJNUIOOSWTMCH-FQEVSTJZSA-N 434.515 3.804 0 40 IHAB Cc1nc([C@H]2CCCCN2C(=O)c2scnc2C)ncc1C(=O)NCc1ccccc1 19764346 PRBSDRRGDPAUEX-LJQANCHMSA-N 435.553 3.847 0 40 IHAB O=C(NCCCc1ccccc1)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 20450924 GCPMVLUYJDAMHW-UHFFFAOYSA-N 434.989 3.631 0 40 IHAB CCN(CC)CCn1c(S)nc2cc(C(=O)NCCC3=CCCCC3)ccc2c1=O 20645385 GOXQIJRMIARJJY-UHFFFAOYSA-N 428.602 3.647 0 40 IHAB COCc1c(-c2nnc(Cc3ccccc3)o2)nnn1-c1ccc(Br)cc1 20715864 WTPKXFBFVPDIEJ-UHFFFAOYSA-N 426.274 3.817 0 40 IHAB CC(C)(C)C(=O)Nc1cccc(C(=O)OCc2cc(=O)n3c4c(sc3n2)CCCC4)c1 21633571 JUSGFIKTPHVUCF-UHFFFAOYSA-N 439.537 3.976 0 40 IHAB CCc1cnc2c(c1NCCC(c1ccccc1)c1ccccc1)c(=O)n(C)c(=O)n2C 22767735 KWDCAGWSVSXWES-UHFFFAOYSA-N 428.536 3.829 0 40 IHAB COc1ccc(C)cc1NC(=O)C[C@H]1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21 23382443 WMSRLGMIOFGFIX-NRFANRHFSA-N 441.491 3.865 0 40 IHAB Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)cc2)no1 24979080 YAOFOBQDDLAASC-UHFFFAOYSA-N 439.537 3.879 0 40 IHAB CCN(CC(=O)Nc1cccc(OC)c1)Cc1cc2c(cc1Br)OCCO2 24991485 VHWQQVSUTCMSMA-UHFFFAOYSA-N 435.318 3.690 0 40 IHAB COc1ccc([C@H](CC(=O)NCCCN(C)C)c2cc(Br)ccc2O)cc1 27578277 NNHTVLVODSQIHU-SFHVURJKSA-N 435.362 3.753 0 40 IHAB COc1ccc(-c2ccc(CCC(=O)N3C[C@H](C(=O)N(C)C)Oc4ccccc43)o2)cc1 32836937 BGLDTYYUMGOZPK-HSZRJFAPSA-N 434.492 3.770 0 40 IHAB CC(C)[C@@H](CNc1nc(CN2CCOCC2)nc2sc3c(c12)CC[C@@H](C)C3)N(C)C 32902994 XKTAKTCJWOTUKI-SJLPKXTDSA-N 431.650 3.646 0 40 IHAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 33654290 STMZKHCGTDTQML-VIFPVBQESA-N 437.732 3.961 0 40 IHAB COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C\c4ccco4)c(=O)n31)c1ccccc1CC2 40033074 UKZSNTRIQWMCLJ-DLBLZJNESA-N 440.524 3.920 0 40 IHAB O=C(Nc1nc2c(s1)CCCCC2)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 40034668 ZWLCKAZKQQXMIY-ZDUSSCGKSA-N 425.601 3.513 0 40 IHAB Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1C 44856433 GEKZLUCGDIIKBK-QRWLVFNGSA-N 436.961 3.751 0 40 IHAB CCOc1cc(/C=C/C(=O)N2CCC[C@H]2CN2C[C@H](C)O[C@H](C)C2)cc(Cl)c1OC 48345019 HCNXHAAQEFNLEU-JTCHDCOHSA-N 436.980 3.861 0 40 IHAB CCCS(=O)(=O)Nc1ccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2CC)cc1 48361856 NNEJGZTWQCSBFQ-UHFFFAOYSA-N 430.505 3.978 0 40 IHAB O=C(c1cnn(-c2ccc(Br)cc2F)c1-n1cccc1)N1CCSCC1 49548368 ZSDKHCLUHGJCTR-UHFFFAOYSA-N 435.322 3.754 0 40 IHAB COC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cc(Cl)cc(Cl)c2OC)c1 57333534 RVIZURAPZOPWKI-UHFFFAOYSA-N 439.295 3.878 0 40 IHAB CCOc1ccc(CC(=O)N2CCN(C)C(=O)[C@H]2Cc2cccc(-c3ccncc3)c2)cc1 72351678 SXEMZCJYWYWDRI-RUZDIDTESA-N 443.547 3.602 0 40 IHAB O=C(CCCN1CCCC1=O)NC1CCN(CC2(c3ccccc3F)CCCC2)CC1 72393484 XKUPUCOEABFZQU-UHFFFAOYSA-N 429.580 3.621 0 40 IHAB O=C(CCc1csc2nc(C3CC3)cn12)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 77171650 BANTYRFUMQTUII-UHFFFAOYSA-N 449.502 3.968 0 40 IHAB C[C@H](Oc1cccc(F)c1)C(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1 79014474 GSZWQCWLILYVOU-INIZCTEOSA-N 428.485 3.710 0 40 IHAB O=C(NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-])OCc1ccccc1 89836622 KPKOEKUUMQYNIY-UHFFFAOYSA-N 442.453 3.649 0 40 IHAB COC(=O)c1cccn1C1CCN(C(=O)c2cnn3c(-c4cccs4)ccnc23)CC1 95347287 ZLIJEBNEKBCJGE-UHFFFAOYSA-N 435.509 3.523 0 40 IHAB O=C(c1cncc(Br)c1)N1CCC(Oc2ncccc2Br)CC1 96096934 FWUITPTXXZRVFJ-UHFFFAOYSA-N 441.123 3.685 0 40 IHAB CN1CCN(C(=O)C[C@H]2CC3(CCN(C(=O)c4cccc(F)c4)CC3)c3ccccc32)CC1 96242238 LSNVYUJXOCCYFF-NRFANRHFSA-N 449.570 3.651 0 40 IHAB Nc1nc(CC[C@H]2C(=O)Nc3ccccc32)cc(NCC2(c3ccccc3)CCOCC2)n1 100224808 GGTXHRUKHITXKF-OAQYLSRUSA-N 443.551 3.888 0 40 IHAB CC[C@@H](C)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H](C(=O)C(C)(C)C)N1c3c(ccc4cccnc34)C=C[C@H]21 103460177 AFBKHIUFLLKDFT-MAEOEUOPSA-N 431.536 3.834 0 40 IHAB COc1ccc(N([C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1OC 220227562 XMOJQKQPMXWWDM-GFCCVEGCSA-N 446.447 3.516 0 40 IHAB COc1ccc(NC(=O)[C@@H](C)N(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c(OC)c1 220428179 NJCZQNDFZNUWNR-LLVKDONJSA-N 447.340 3.804 0 40 IHAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1C 222541235 AQJSHMYVIRNFSO-QHCPKHFHSA-N 434.511 3.899 0 40 IHAB O=C(NCc1cccc(N2CCCC2=O)c1)/C(=C/c1cccs1)NC(=O)c1ccccc1 223494749 SHPDJSOJGZCMTM-JWGURIENSA-N 445.544 3.962 0 40 IHAB C[C@H](C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1)N(c1ccccc1)S(C)(=O)=O 223564151 BKJJTQJERRENTD-GFCCVEGCSA-N 436.946 3.652 0 40 IHAB CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc2c(c1)OCO2 223838898 LNXYMBAJPXHISR-MRXNPFEDSA-N 430.932 3.945 0 40 IHAB COC(=O)c1cccc(S(=O)(=O)NCCSCc2c(Cl)cccc2Cl)c1 225193989 IDXCAXIBMHFVJX-UHFFFAOYSA-N 434.366 3.992 0 40 IHAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)o1 225384799 GLJQUVNHSGEKLK-MOPGFXCFSA-N 428.539 3.532 0 40 IHAB CCc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)cc1 225522858 VUJVJOZZDXQWFL-FXAWDEMLSA-N 430.570 3.536 0 40 IHAB COCCC(=O)N[C@]1(C)C[C@H](c2cccc(CN3CCOCC3)c2)O[C@@H]2C[C@H](C)CC[C@H]21 257213565 CICSSJKNQNZFLI-YUKXHEHUSA-N 444.616 3.696 0 40 IHAB COc1ccc2c(CN3CCO[C@H](c4cccc(Nc5cc(C)n(C)n5)n4)C3)cn(C)c2c1 257338273 YWSCQKWHAUNNQZ-QHCPKHFHSA-N 446.555 3.941 0 40 IHAB COC(=O)c1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1 408559511 VRLIQDHZKZMVKY-UHFFFAOYSA-N 430.526 3.599 0 40 IHAB COC(=O)c1ccc(NC(=O)c2ccc(NC(=O)c3c(OC)cccc3OC)cc2)cc1 408676010 CJSOCHHFGRWEHP-UHFFFAOYSA-N 434.448 3.995 0 40 IHAB COc1ccc([C@@H]2[C@@H](NC(=O)c3cccc(C)c3)C(=O)N/[N+]2=C\c2ccccc2Cl)cc1 409073803 TWTRGMAVPQFQHH-VNGKGULCSA-O 448.930 3.673 0 40 IHAB C[C@]1(c2cccc(C(=O)Nc3ccc4nc(-c5cccc(F)c5)[nH]c4c3)c2)NC(=O)NC1=O 532030111 COLFDUFYDIFRKT-XMMPIXPASA-N 443.438 3.676 0 40 IHAB Cc1noc(C)c1C(=O)NC[C@H]1CC[C@H]2CN(C(=O)c3ccccc3)c3ccccc3CN21 585110139 NMBWSBITNVBAJJ-YADHBBJMSA-N 444.535 3.715 0 40 IHAB O=C(/C=C/c1ccccc1Cl)NC(=S)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 1236648 XOLXVSHDWIQTTO-KPKJPENVSA-N 449.985 3.651 0 40 IHAB Cc1ccc(C)c(NC(=O)CSC2=N/C(=C/c3cnn(C)c3)C(=O)N2CC(C)C)c1 2785091 BKYANUDCKGXBPS-DJKKODMXSA-N 425.558 3.604 0 40 IHAB COc1ccc(Cn2c(SCC(=O)NC3CCCC3)nc3ccsc3c2=O)cc1 2908690 HWYIMIJSTKFMNR-UHFFFAOYSA-N 429.567 3.666 0 40 IHAB COC[C@@H](C)n1c(SCC(=O)NCc2ccccc2Cl)nc2ccccc2c1=O 3244360 FAAWGLXKABMGLW-CQSZACIVSA-N 431.945 3.666 0 40 IHAB COc1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)cc1OC 3565585 JAXRDXNFOQKVJE-UHFFFAOYSA-N 426.494 3.781 0 40 IHAB CCCCOC(=O)c1nc(N(CC2CCCCC2)C(=O)NC)sc1NC(=O)NC 5699177 YKUGSNOFKLEWEX-UHFFFAOYSA-N 425.555 3.577 0 40 IHAB COc1ccc(NC(=O)CSc2nc(=O)c3cccnc3n2C2CCCC2)cc1OC 8783109 AOKBCBPRHMDKDO-UHFFFAOYSA-N 440.525 3.655 0 40 IHAB COc1ccc(NC(=O)CSc2nnc(COc3cc(C)ccc3C)n2C)c(OC)c1 9263522 PXCGFBDVOTXMOP-UHFFFAOYSA-N 442.541 3.759 0 40 IHAB O=C(Nc1ccc(Br)cc1F)C1CCN(S(=O)(=O)c2ccccc2)CC1 9315448 IUQBWEIYRGKTCM-UHFFFAOYSA-N 441.322 3.628 0 40 IHAB CCCN(CCC)S(=O)(=O)c1ccc(C(=O)/N=c2/sc3cc(F)ccc3n2C)cc1 9404856 FCHUYVUNWYPLMJ-XTQSDGFTSA-N 449.573 3.931 0 40 IHAB C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2)C1=O)c1ccc2c(c1)CCCC2 9496035 RDVVSNQYKNHVGA-OYLFLEFRSA-N 439.943 3.863 0 40 IHAB O=C(NCc1ccccc1Cl)C(=O)NC[C@@H](c1cccs1)N1CCc2ccccc21 9708294 PTUVSMSERBUPDC-FQEVSTJZSA-N 439.968 3.938 0 40 IHAB CCCn1c(SCC(=O)NCc2ccccc2OC)nc2c(oc3ccccc32)c1=O 9751832 NXYJBLRQNJSQGJ-UHFFFAOYSA-N 437.521 3.970 0 40 IHAB Oc1nnc(/C=C/c2ccccc2)c2c1Nc1nnnn1[C@@H]2c1ccc(Br)cc1 10297925 HYDATPSPMHCWMG-PMQIGOLDSA-N 448.284 3.796 0 40 IHAB Oc1nnc(-c2ccc(Cl)cc2Cl)c2c1Nc1nnnn1[C@H]2c1ccccc1F 10298201 ARUAFQMHNFNXLU-INIZCTEOSA-N 430.230 3.976 0 40 IHAB O=C(NCC1(c2ccccc2)CC1)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 10423579 PIIPCMUQSOPXFW-UHFFFAOYSA-N 446.572 3.895 0 40 IHAB CCN(CC)[C@H](CNC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2)c1cccc(OC)c1 10917306 NZJGXYXQCUXSCC-MGPUTAFESA-N 427.570 3.941 0 40 IHAB CCCC(=O)Nc1cc(OC)c(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC 12641183 SJJCLXYQQOGOSS-UHFFFAOYSA-N 432.473 3.721 0 40 IHAB O=C(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)NCC12CC3CC(CC(C3)C1)C2 12641478 XLMZFVBCDFOROE-UHFFFAOYSA-N 431.385 3.604 0 40 IHAB COc1ccc(C)cc1-n1c(=O)c2ccccc2n2c(S[C@H](C)c3nc(C)no3)nnc12 12646061 MMXHUVGFSOFVFR-CYBMUJFWSA-N 448.508 3.895 0 40 IHAB Cc1ccc(NC(=O)CN2C(=O)C(C)(C)Oc3ccc(C(=O)NC(C)(C)C)cc32)c(C)c1 12875128 MLELUBWKXXSVAJ-UHFFFAOYSA-N 437.540 3.974 0 40 IHAB CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cnc3c(cnn3C(C)C)c2)c1 12995667 QHKRTMYYMYIGFZ-UHFFFAOYSA-N 435.937 3.605 0 40 IHAB CC(C)(C)c1ccc(OCC(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@@H]2CCCO2)cc1 13040731 GLPUAPWOTLZISM-FQEVSTJZSA-N 449.551 3.807 0 40 IHAB O=C(CSc1nnc(COc2ccccc2Cl)n1C1CC1)NC(=O)c1ccccc1 13117048 XWMXYKLMMPRVGC-UHFFFAOYSA-N 442.928 3.894 0 40 IHAB COc1ccc(OC)c([C@H](c2nnnn2Cc2ccccc2)N2CCc3ccccc3C2)c1 13496261 WXXUERFZNAHRDQ-RUZDIDTESA-N 441.535 3.886 0 40 IHAB Cn1c(SCc2ccccc2)nnc1C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 13565113 XFSWVLMFAGWOBT-UHFFFAOYSA-N 436.537 3.856 0 40 IHAB COc1ccc(C(=O)CSc2nnc3c(n2)[C@@]2(C)CC[C@@H]3C2(C)C)cc1NC(C)=O 13566612 YJOUEYACQOOZQH-RCDICMHDSA-N 426.542 3.989 0 40 IHAB C[C@H](NCC(=O)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1)c1ccc2c(c1)CCCC2 14112734 ORVOVTKMDFDFNB-MBSDFSHPSA-N 432.630 3.564 0 40 IHAB O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccccc1SC[C@@H]1CCCO1 14200061 ZQTJQRJFSWQSQK-SFHVURJKSA-N 446.594 3.995 0 40 IHAB CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CSc1nnc2n1CCCCC2 14227786 ZUIQZGJQRFHWEB-UHFFFAOYSA-N 432.575 3.647 0 40 IHAB O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 15435018 NEEFNKIZALBCJL-INIZCTEOSA-N 429.325 3.703 0 40 IHAB CCS(=O)(=O)N1CCc2cc(C3=NN=C(Nc4ccc(C)cc4C)SC3)ccc21 15453590 HTSFKIVDZHPSLC-UHFFFAOYSA-N 428.583 3.935 0 40 IHAB CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H]1C(=O)O 15721815 PNFSGKNIZOXLKU-VXKWHMMOSA-N 436.508 3.625 0 40 IHAB in-vitro CC(C)[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]12 16010421 RKWRQWSKJNYACK-ORGXJRBJSA-N 444.318 3.574 0 40 IHAB O=C(c1ccccc1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CN(Cc1cccs1)CC2 19368845 GARDFIQZMWPFMG-NRFANRHFSA-N 434.565 3.757 0 40 IHAB C[C@@]1(C2CCN(CC(=O)NCc3ccccn3)CC2)CCCCN(Cc2ccccc2)C1=O 19744014 YOCVUSJHQIEJJJ-MHZLTWQESA-N 448.611 3.629 0 40 IHAB O=C(COCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1ccccc1 20018758 VZWANBXXFQZIMH-UHFFFAOYSA-N 443.547 3.576 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N1CCN(c2ccccc2)CC1 20061621 UKFUURLSPWPFJB-UHFFFAOYSA-N 441.597 3.522 0 40 IHAB Cc1cc(C(C)(C)C)ccc1OC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1 21588975 LOCPNIJGCLIAOS-UHFFFAOYSA-N 434.558 3.904 0 40 IHAB C[C@@H](Sc1nc(O)c2cnn(-c3ccccc3)c2n1)C(=O)Nc1cc(F)ccc1F 21603413 MTDQSJDMOVHKFI-LLVKDONJSA-N 427.436 3.919 0 40 IHAB CC1CCN(c2nnc(S[C@H](C)C(=O)N3CCc4ccccc4C3)n2C2CC2)CC1 21699270 OGSBADSTDZADOI-QGZVFWFLSA-N 425.602 3.915 0 40 IHAB Cc1cccc(NC(=O)CSc2nnc3nc(O)c(-c4ccc(Cl)cc4)nn23)c1C 22720388 ACVXWGBMWMTHFA-UHFFFAOYSA-N 440.916 3.893 0 40 IHAB COc1ccc(S(=O)(=O)N(Cc2cccnc2)Cc2ccco2)cc1Br 22844729 XNSIJLMYGRXWKR-UHFFFAOYSA-N 437.315 3.837 0 40 IHAB Oc1c([C@@H](c2ccccc2Cl)N2CCC(O)CC2)sc2nc(-c3ccco3)nn12 22851894 SVQBAGQLSQKRIM-MRXNPFEDSA-N 430.917 3.956 0 40 IHAB CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3ccccn3)c3nc4ccccc4n32)cc1 23382380 FBUIFZTWBLKNBH-JOCHJYFZSA-N 441.491 3.947 0 40 IHAB COc1ccc(N(CC(=O)NC[C@@H](C)c2ccccc2)S(=O)(=O)c2ccccc2)cc1 25164331 YFAZOYVSEIGMAV-LJQANCHMSA-N 438.549 3.810 0 40 IHAB Cc1nc(-c2ccc(CCNC(=O)[C@@H]3CCCN(C(=O)c4ccco4)C3)s2)cs1 25322467 XFHGBFMVCZJIRR-OAHLLOKOSA-N 429.567 3.984 0 40 IHAB Cc1ccc(-n2ccc(=O)c(C(=O)NC[C@H](c3ccccc3)N3CCCCC3)n2)cc1C 28292799 QHIFNOGAIWSOMR-HSZRJFAPSA-N 430.552 3.806 0 40 IHAB C[C@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)C(c1ccccc1)c1ccccc1 30358706 DDNUCDMAOJCLQN-KRWDZBQOSA-N 429.563 3.589 0 40 IHAB O=C1CSc2sc3c(=O)n(C[C@H](c4ccccc4Cl)N4CCCC4)cnc3c2N1 35671292 UOTNQGSEQYHAOI-CQSZACIVSA-N 446.985 3.993 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2F)cc1N1CCCC1=O 38756135 HDPWPRGQYTVXIJ-UHFFFAOYSA-N 443.294 3.524 0 40 IHAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)Nc2ccc(-n3nc(C)cc3C)nc2)CC1=O 40088990 NLASMCQYOIYNML-HNNXBMFYSA-N 439.903 3.538 0 40 IHAB Cc1nc2ccccc2nc1S(=O)(=O)CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl 40152229 PNHFUTNOMUZMQP-LLVKDONJSA-N 438.336 3.896 0 40 IHAB Cc1cc2nc(COC(=O)c3ccc(C)c(NC(=O)c4ccccc4C)c3)cc(=O)n2o1 41089567 VZKUSBJJUDJEKI-UHFFFAOYSA-N 431.448 3.822 0 40 IHAB Cc1cc(CN2CCC(CNC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)CC2)c(C)o1 43941143 HIFHQDSVUMPRRH-UHFFFAOYSA-N 437.462 3.882 0 40 IHAB Cc1ccc(N(CC(=O)Nc2ccc3c(c2)OCO3)S(=O)(=O)c2ccccc2)c(C)c1 44791886 UKONOQJSIGKYFU-UHFFFAOYSA-N 438.505 3.866 0 40 IHAB CCOC(=O)[C@@H]1CCc2sc(NC(=O)CCc3csc4nc(C5CC5)cn34)nc21 56903748 MSFSLEGSOQRQPA-CYBMUJFWSA-N 430.555 3.894 0 40 IHAB Cc1ccc(Cl)cc1-n1ncc2c(=O)n(CC(=O)Nc3cc(F)ccc3Cl)cnc21 57428314 VLCXTXCDLQXEMH-UHFFFAOYSA-N 446.269 3.975 0 40 IHAB NS(=O)(=O)c1ccc(CNc2ncc(-c3cccs3)c(-c3nccs3)n2)cc1 57740457 LHCVVCLBYATDIV-UHFFFAOYSA-N 429.552 3.588 0 40 IHAB Cc1cc(C)nc(Sc2ccc(NC(=O)Cn3cc(Br)ccc3=O)cc2)n1 58402509 BZVAUAPRVDDIDD-UHFFFAOYSA-N 445.342 3.808 0 40 IHAB COCCCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3cccc(C)c3)c2c1=O 65113514 JUXMVMIUOCVWSR-UHFFFAOYSA-N 430.508 3.849 0 40 IHAB COc1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2CCC(C)C)cc1OC 67238110 UXNCDGIVUKPVBH-UHFFFAOYSA-N 444.557 3.827 0 40 IHAB COc1ccc(C2=NC3(CCCCC3)N(CC(=O)N3CCCc4ccccc43)C2=O)cc1 71768921 XFMIUVRUJLSVBJ-UHFFFAOYSA-N 431.536 3.966 0 40 IHAB CCN1CCC(N(C)C(=O)CCC(=O)N2CCC(CCc3ccc(C)cc3)CC2)CC1 72306915 UWVDLYCTCRAHBA-UHFFFAOYSA-N 427.633 3.889 0 40 IHAB O=C(Nc1ccccc1)Nc1ccc([C@H]2OCC(=O)N(Cc3ccc(F)cc3)[C@@H]2CO)cc1 72321416 IMHXYPXQIJJOPU-ISKFKSNPSA-N 449.482 3.931 0 40 IHAB biogenic,in-vitro CNC(=O)c1ccc(-c2cc(C)nc([C@H]3CCCN(C(=O)Cc4ccc(F)cc4)C3)c2)cn1 72353640 XMHRCGTVWVIKKD-FQEVSTJZSA-N 446.526 3.899 0 40 IHAB COc1ccc(CN2C(=O)Cc3c(C)nc(C4CCN(C(=O)C5CCCC5)CC4)nc32)cc1 72371959 CFSAHGFQIFARBB-UHFFFAOYSA-N 448.567 3.779 0 40 IHAB O=C(c1ccc2[nH]cnc2c1)N1CCN(c2nc(-c3cccnc3)nc3ccccc23)CC1 89866722 QVROJBHZZUQUMP-UHFFFAOYSA-N 435.491 3.531 0 40 IHAB CC(=O)Nc1cccc2c1ccn2CC(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 96117092 DPLDUVBBOXHGEH-UHFFFAOYSA-N 425.916 3.763 0 40 IHAB CO[C@](C)(CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1cccc(Cl)c1 96393184 BURNTKIYSKNAJZ-GOSISDBHSA-N 430.810 3.855 0 40 IHAB COc1cccc([C@@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2C(=O)c2ccco2)c1 97105765 BLORHAQFZSMJAX-FQEVSTJZSA-N 439.493 3.651 0 40 IHAB COc1ccc(C2=NN(c3ccccc3)[C@@H]3C(=O)N(c4ccc(C(C)=O)cc4)C(=O)[C@H]23)cc1 100886997 FHYAABJNXLNRNY-VWNXMTODSA-N 439.471 3.680 0 40 IHAB CCOc1cc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)ccc1O 102743881 UIBYGIRRCNPPCR-XPWALMASSA-N 430.460 3.842 0 40 IHAB O=C(c1ccc2nsnc2c1)N1CCC(N2CCC(Oc3ccccc3F)CC2)CC1 217372042 ZHRHXNJOQQEHNE-UHFFFAOYSA-N 440.544 3.978 0 40 IHAB O=S(=O)(CCc1ccccc1)N1CCC(N2CCC(Oc3ccccc3F)CC2)CC1 217395208 AFZVUXAJLFHFDD-UHFFFAOYSA-N 446.588 3.706 0 40 IHAB COc1ccccc1O[C@H](C)C(=O)NCc1nc(-c2cccc(Br)c2)no1 219506409 HOTGYOGXOWKHPQ-GFCCVEGCSA-N 432.274 3.591 0 40 IHAB Cc1cccc(N([C@@H](C)C(=O)NCCSc2ccc(Cl)cc2)S(C)(=O)=O)c1 220121734 LZTJYGTZGDZSOM-HNNXBMFYSA-N 426.991 3.711 0 40 IHAB CCOc1ccc(CCC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC)cc1OCC 222434240 YWNFEWJEXFJIQD-IBGZPJMESA-N 426.557 3.888 0 40 IHAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc2c(c1)OCO2 223134972 CDHHQVHWWGYERZ-IRXDYDNUSA-N 428.504 3.819 0 40 IHAB CCCC[C@H](CC)CNC(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O 223868383 UWZLBZTXDCWLNQ-HNNXBMFYSA-N 433.412 3.856 0 40 IHAB COc1cc2c(cc1S(=O)(=O)Nc1ccc(I)cc1)CCCC2 224059094 GIAQMJOTECWFHE-UHFFFAOYSA-N 443.306 3.979 0 40 IHAB COC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3cccc(C)c3)c2)cc1 224131733 UVKLIYYPGFHSSY-UHFFFAOYSA-N 438.505 3.859 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)NCCCN3CCCCCC3)c2)cc1 224262213 YWKLLCVOHUHHLB-UHFFFAOYSA-N 443.613 3.816 0 40 IHAB CCOC(=O)CN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(OC)c(F)c1 225113724 YIICRDPHZXPRJY-UHFFFAOYSA-N 435.395 3.612 0 40 IHAB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(Br)cc1 225469232 WUVJOTSCWHFVNW-INIZCTEOSA-N 433.346 3.770 0 40 IHAB Cc1ccc(-c2nnc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4cccs4)C3)s2)cc1 225487633 TZISXEKHSNAQMT-HNNXBMFYSA-N 448.595 3.614 0 40 IHAB O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 250791830 SBIRLPHORIIKDG-ZUEVXXBESA-N 445.412 3.840 0 40 IHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N1CCC(c2cncc(Nc3ncccn3)n2)CC1 257249076 JGRJYGPOKBKHJX-OAQYLSRUSA-N 448.527 3.582 0 40 IHAB COc1ccc2c(c1)C=C(CN1CCO[C@H](c3cccc(Nc4cc(C)n(C)n4)n3)C1)CO2 257260041 LBCOPIRWZVQFKD-QHCPKHFHSA-N 447.539 3.725 0 40 IHAB O=C(Nc1ccc(OC(F)(F)F)cc1)[C@@]12C[C@H]1CN(c1ccc(Cl)cc1)S2(=O)=O 260828855 DLIKUADNMYGPOW-APPDUMDISA-N 446.834 3.786 0 40 IHAB C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)c1ccc2c(c1)CCCC2 260924592 IPYKRUUKZGPZIB-GCJKJVERSA-N 426.582 3.844 0 40 IHAB CC(C)n1cnc([C@H]2CN(Cc3ccsc3)C[C@]23CCN(Cc2ccncc2)C3=O)c1 306139320 SUOHZGZVYLOBHQ-ZJSXRUAMSA-N 435.597 3.939 0 40 IHAB COc1ccc(CN2Cc3c(nc(C)n3C(C)C)C3(CCN(C(=O)N(C)C)CC3)C2)cc1 306142576 XDTVULVYJYCCGP-UHFFFAOYSA-N 439.604 3.812 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCCCC3)CC2)cc1Cl 408581937 BCFRXJUAVZKBOT-UHFFFAOYSA-N 428.982 3.588 0 40 IHAB COC(=O)c1ccc(/C=C(\Sc2nnc(-c3cc(OC)cc(OC)c3)o2)C(=O)O)cc1 408634728 WYXHJIKIHGSVHE-IUXPMGMMSA-N 442.449 3.758 0 40 IHAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)OCC(=O)Nc2cc(C)cc(C)c2)CC1=O 408648517 YXAUNDCPNIYVHY-HNNXBMFYSA-N 430.888 3.500 0 40 IHAB CC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccc(Br)c(Cl)c2)cc1 408652977 IRPUQCMUTQGTRN-UHFFFAOYSA-N 425.666 3.856 0 40 IHAB Cc1ccc([C@@H]2[C@H](NC(=O)c3cccc(C)c3)C(=O)N/[N+]2=C\c2ccc(Cl)cc2)cc1 409075233 XTMIBTNOFMFEPB-LMOLPZMTSA-O 432.931 3.973 0 40 IHAB Cc1ccccc1C(=O)N[C@H](C)c1nnc(SCC(=O)Nc2ccccc2Cl)n1C 409329145 DAAJXGSMFJSVMW-CQSZACIVSA-N 443.960 3.999 0 40 IHAB O=C(N[C@H]1COc2cccc(Br)c2C1)c1c(C(F)(F)F)nc2n1CCCC2 1615610951 RPXBHUQRVIVMDH-SNVBAGLBSA-N 444.251 3.734 0 40 IHAB Cc1nc2ccccc2c(=O)n1CC1CCN(C(=O)Cc2c(F)cccc2Cl)CC1 1888962017 CVGKUOFQFTUPHO-UHFFFAOYSA-N 427.907 3.979 0 40 IHAB Cc1cccc(OCc2nnc(SCC(=O)N3CCN(c4ccccc4)CC3)o2)c1C 667511 QFPLTISKCCLDLD-UHFFFAOYSA-N 438.553 3.706 0 40 IHAB COc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1NS(=O)(=O)c1ccc(C)cc1 2228989 DANMTOWDLOVEFN-UHFFFAOYSA-N 435.505 3.718 0 40 IHAB COCCNC(=O)c1nn2c(c1Br)N[C@@H](c1ccccc1)C[C@@H]2C(F)(F)F 2301784 RZODMPHKMWQQHB-VXGBXAGGSA-N 447.255 3.682 0 40 IHAB CCOC(=O)[C@H](C)Oc1cccc2c(=O)n(CC(=O)Nc3ccc(C)c(Cl)c3)ccc12 2712311 CNQAGJXZWOFLKP-HNNXBMFYSA-N 442.899 3.932 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(C4CCCC4)s3)CC2)cc1 4388430 GMUBMWHTZFDKEZ-UHFFFAOYSA-N 434.587 3.544 0 40 IHAB COC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=O)N2C2CCCC2)cc1 8583831 ZAVCGAYDAALQJT-FQEVSTJZSA-N 435.480 3.582 0 40 IHAB CC(=O)NCc1ccc(-c2csc(NC(=O)Cc3csc4nc(C)cn34)n2)s1 8709994 RKHVBRKCOLDQOU-UHFFFAOYSA-N 431.568 3.707 0 40 IHAB CSCC[C@@H](NC(=O)c1ccccc1)C(=O)OCc1cc(=O)oc2cc(C)ccc12 8942517 GCVRSSVLTKSUKU-LJQANCHMSA-N 425.506 3.696 0 40 IHAB CCOC(=O)C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1OC)c1ccccc1Cl 8955716 QVOVFLBJPHSGSE-OAHLLOKOSA-N 432.325 3.975 0 40 IHAB COc1ccc(OC)c(NC(=O)[C@H]2C[C@H]3CCCN3[C@]23C(=O)Nc2c(C)cc(C)cc23)c1 8972286 LLXSEQNQXCDXQL-JIZVJVNCSA-N 435.524 3.591 0 40 IHAB CC(=O)Nc1ccc(C(=O)COC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)cc1 9284501 DVVAICOPPVLGCA-UHFFFAOYSA-N 440.459 3.932 0 40 IHAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2cc(-c3ccccc3)n[nH]2)n1N 9448461 CFTBNENSPYPWFV-UHFFFAOYSA-N 439.932 3.742 0 40 IHAB COc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cc(C)on2)cc1OC 9487625 XCSQWSYFZTXOMA-HXUWFJFHSA-N 436.395 3.996 0 40 IHAB CCCCC(=O)Nc1cc(C(=O)OCC)ccc1N1CCN(C(=O)c2ccccc2)CC1 9907934 PUERHDRBKIGXHF-UHFFFAOYSA-N 437.540 3.954 0 40 IHAB CCc1ccc(CN(C(=O)COc2ccc(Cl)c(C)c2)[C@@H]2CCS(=O)(=O)C2)cc1 9972181 XCRDIZDEHKFLOY-LJQANCHMSA-N 435.973 3.806 0 40 IHAB O=C1N[C@]2(COC3(CCN(C(=O)c4csc5c4CCCC5)CC3)C2)Nc2ccccc21 12085476 SRONUJHCIHDGLA-XMMPIXPASA-N 437.565 3.574 0 40 IHAB COc1ccc(CCC(=O)N2CCC[C@H](c3nc4ccc(F)cc4cc3C(N)=O)C2)cc1 12328526 APNSGRWSTBUAIP-KRWDZBQOSA-N 435.499 3.820 0 40 IHAB Cc1cccc(NS(=O)(=O)c2ccc(C(=O)NC3CCN(C(C)C)CC3)cc2)c1C 12584613 PPCDPRINCGPAQE-UHFFFAOYSA-N 429.586 3.707 0 40 IHAB O=C(NCc1ccccc1F)[C@H]1CS[C@@]2(c3ccc(Br)cc3)CCC(=O)N12 12748902 FFIUCHCCYUAVLB-YLJYHZDGSA-N 449.345 3.795 0 40 IHAB CSc1nc(C)c(CCC(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)c(=O)[nH]1 12751825 DOQFFJTXEMTGMJ-UHFFFAOYSA-N 428.539 3.698 0 40 IHAB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)c2cc(C)n(CC(F)(F)F)c2C)c1C 12852794 RLMSPCUTDWDBRU-UHFFFAOYSA-N 428.407 3.829 0 40 IHAB O=C(C[C@@H]1OC(=O)c2ccccc21)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 12881375 LJYYYUZEIDNFJR-SFHVURJKSA-N 448.928 3.755 0 40 IHAB COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)N1CCN(Cc2ccccc2)CC1 13008811 QNEYPPAZAQOMJV-UHFFFAOYSA-N 444.457 3.858 0 40 IHAB O=C1CCSc2ccc(C(=O)Nc3cccc(S(=O)(=O)N4CCCCC4)c3)cc2N1 13040472 JFJDRVCJPQAICN-UHFFFAOYSA-N 445.566 3.548 0 40 IHAB COc1ccc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1 13584751 CSFXWYZVCFGBRY-UHFFFAOYSA-N 426.494 3.538 0 40 IHAB COc1ccc(N2C(=O)S/C(=C/c3cc4cc5c(cc4[nH]c3=O)OCCO5)C2=O)cc1 13722948 QNZXIAGEPKPIMZ-VXLYETTFSA-N 436.445 3.549 0 40 IHAB COC(=O)c1ccc(C)c(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c1 14663433 WUPLQINDLZUAAL-UHFFFAOYSA-N 438.505 3.859 0 40 IHAB COc1ccc([C@@H]2C(=O)N(c3ccccc3OC)CC(=O)N2c2ccccc2OC)cc1 15413258 IFSVZAMFGGLUKU-XMMPIXPASA-N 432.476 3.834 0 40 IHAB CON(C)S(=O)(=O)c1cccc(C(=O)Oc2ccc(OCc3ccccc3)cc2)c1 16051046 ZDHVSSOZGSICIG-UHFFFAOYSA-N 427.478 3.667 0 40 IHAB CCc1nnc2sc(-c3ccc(NC(=S)NC(=O)c4cccs4)c(C)c3)nn12 17096094 LIMPWINRPMQPOI-UHFFFAOYSA-N 428.568 3.912 0 40 IHAB O=C(Cc1ccc2c(c1)OCO2)N1CCC[C@@H]1c1nnc(-c2nccc3ccccc23)o1 19376456 OANXCZGAJZPAQF-GOSISDBHSA-N 428.448 3.920 0 40 IHAB O=C(CCc1ccncc1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C1CCCCC1)CC2 19405080 KUXLSCHPLNSMBM-HSZRJFAPSA-N 449.599 3.542 0 40 IHAB CCOC(=O)[C@]1(Cc2cc(-c3cccc(C)c3)no2)CCCN(C(=O)[C@@H]2CCCO2)C1 19529904 BQVHLZUDNSJLSD-URXFXBBRSA-N 426.513 3.543 0 40 IHAB Cc1nonc1C(=O)N1CCC(c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C(C)C)N3)CC1 19558733 ULPBVLISMZBFKF-DZGCQCFKSA-N 426.443 3.538 0 40 IHAB COc1cccc(CN2C(=O)Cc3c(C)nc([C@H]4CCCN4C(=O)c4ccccc4)nc32)c1 19739653 KUOJUYAAONLSPW-JOCHJYFZSA-N 442.519 3.860 0 40 IHAB O=C(CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)NCc1ccc(F)cc1 20023993 IRDPUBMTGUUEGE-UHFFFAOYSA-N 440.540 3.596 0 40 IHAB CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1OC)c1ccccc1 20049496 LOVUEJUAPNUAPM-NRFANRHFSA-N 430.570 3.997 0 40 IHAB COc1c(F)cc2c(=O)c(C(=O)NCCc3c[nH]c4ccccc34)cn(CCF)c2c1F 20726730 HQCWQFXSXSUJLY-UHFFFAOYSA-N 443.425 3.712 0 40 IHAB C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O 20820163 VAFWURYGRHLKGY-IAGOWNOFSA-N 436.508 3.549 0 40 IHAB O=C(CN1CCN(c2ccc(O)cc2)CC1)Nc1nc(-c2ccccc2Cl)cs1 22240661 FDXCCPBEYMWMMJ-UHFFFAOYSA-N 428.945 3.930 0 40 IHAB O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)NCCc1ccccc1 22274246 OZNZGJFXTXEFAN-UHFFFAOYSA-N 428.941 3.894 0 40 IHAB Cc1nc(SCC(=O)N2CCc3sccc3[C@H]2c2cccs2)sc1CC(N)=O 22487363 SRFJJCYBXJEXII-SFHVURJKSA-N 449.648 3.869 0 40 IHAB COc1ccc(OC)c([C@H]2CCCN2C(=O)CN2CCN(C/C=C/c3ccccc3)CC2)c1 22799830 GMTZVTJMLSKZJT-GZKVFJCDSA-N 449.595 3.698 0 40 IHAB COc1ccccc1NC(=O)C[C@@H]1C(=O)N(Cc2cccnc2)c2nc3ccccc3n21 23411312 FKNHFCUMTDBMPI-HXUWFJFHSA-N 427.464 3.557 0 40 IHAB Cc1ccc(CCC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)s2)cc1Cl 25446868 CUKAQXQZXXEFDD-UHFFFAOYSA-N 426.991 3.743 0 40 IHAB Cc1noc(C)c1CCC(=O)Nc1cccc(S(=O)(=O)N2CCc3sccc3C2)c1 29137121 XGUYLIBSHDMFCE-UHFFFAOYSA-N 445.566 3.671 0 40 IHAB NC(=O)CCN(C(=O)CN1CCc2sccc2[C@H]1c1cccs1)c1ccc(F)cc1 32774583 HGXFEDCCBASVRZ-QFIPXVFZSA-N 443.569 3.805 0 40 IHAB O=C(NC[C@H]1CCCO1)c1cccc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)c1 33019434 FUERERNJRVDGEL-OAHLLOKOSA-N 442.509 3.711 0 40 IHAB CN(C(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1)[C@H]1CCS(=O)(=O)C1 36393870 IWDPKASVHHJTBE-HNNXBMFYSA-N 432.592 3.727 0 40 IHAB CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2ccc(NC(=O)/C=C(/C)C(=O)O)cc2)cc1 37019033 URNYVXMPGAGPHS-DINCDJDBSA-N 441.509 3.734 0 40 IHAB Cc1ccccc1-c1ccc(N2CCN(C(=O)c3cncc(Br)c3)CC2)nn1 38488097 PQODOBUSWVQMIY-UHFFFAOYSA-N 438.329 3.572 0 40 IHAB O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)C1CCN(Cc2ccccc2F)CC1 39755358 UYLAGBMFQPCBNL-FQEVSTJZSA-N 439.531 3.585 0 40 IHAB CCN1CCN(c2ccc(NC(=O)c3ccccc3OCc3noc(C)n3)cc2C)CC1 40033924 MXHPUGZZMHXIGQ-UHFFFAOYSA-N 435.528 3.660 0 40 IHAB Cc1ccccc1Nc1nc(N)nc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)n1 54147121 UAUFVTAMMZPMEA-UHFFFAOYSA-N 443.477 3.847 0 40 IHAB Cc1cc(F)ccc1NC(=O)Cn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2sccc21 57491986 GCEQAUVNKYUXSV-UHFFFAOYSA-N 443.887 3.954 0 40 IHAB Cc1ccc(N2CCN(C[C@H]3C(=O)O[C@@H]4CC5=CCC[C@@H](C)[C@@]5(C)[C@H](O)[C@H]34)CC2)c(C)c1 61997568 SVKLPRDZURGQKV-SIWUVWLXSA-N 438.612 3.710 0 40 IHAB Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)NCCC3=CCCCC3)c2=O)c1C 67218346 YNLPZYPSLAUIEN-UHFFFAOYSA-N 437.565 3.837 0 40 IHAB Cc1nc(-c2cccc(Cl)c2)n(CC(=O)Nc2ccc(Cl)cc2)c(=O)c1CCO 67301654 WJYBGZOFWQBIJW-UHFFFAOYSA-N 432.307 3.699 0 40 IHAB CN(C)C(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCN(C(=O)Cc2ccccc2F)C1 72396023 KTTQSQRYBKKASV-AREMUKBSSA-N 449.526 3.963 0 40 IHAB CC[C@H](c1nnnn1C(C)(C)CC)N(CCCO)Cc1cc2cc(C)cc(C)c2[nH]c1=O 95202032 KIZHVHZKNYXRBU-HXUWFJFHSA-N 440.592 3.612 0 40 IHAB CCOC(=O)c1c(NC(=O)c2cc(F)ccc2F)sc2c1CCN(C(=O)OCC)C2 96003445 OCDXBBAXBYJQGP-UHFFFAOYSA-N 438.452 3.970 0 40 IHAB O=C(NC[C@@H]1CCCN2CCCC[C@H]12)c1cccc(NC(=O)c2ccc3c(c2)OCO3)c1 96116497 CSAGMPTYWVZKMS-PZJWPPBQSA-N 435.524 3.662 0 40 IHAB biogenic COC(=O)c1ccc2c(=O)n(-c3ccccc3)c(Nc3ccccc3C(=O)OC)nc2c1 98212129 SNTXKHMQPFTPPA-UHFFFAOYSA-N 429.432 3.703 0 40 IHAB COc1cccc(N2C(=O)/C(=C/NC[C@@H](c3ccco3)N(C)C)c3ccccc3C2=O)c1 101503270 JPSXHFNNMMHHKZ-VAZXNAHHSA-N 431.492 3.709 0 40 IHAB O=C1C[C@H](N2CCc3[nH]c4c(Br)cccc4c3C2)C(=O)N1Cc1ccccc1 101505974 VWEVZOYMBQSGBQ-IBGZPJMESA-N 438.325 3.616 0 40 IHAB O=C(NCc1ccc(S(=O)(=O)N2CCCC2)s1)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 102667748 DPIZWTUCKBAOSH-SNEKZUEESA-N 443.034 3.727 0 40 IHAB Cc1cccc(CCCNC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1 219008791 QGGARPOFFXXIOE-UHFFFAOYSA-N 434.989 3.798 0 40 IHAB CC[C@@H](C(=O)Nc1ccc(Br)cc1F)N(c1ccccc1F)S(C)(=O)=O 220596845 UOFBGFXCHLYKDK-HNNXBMFYSA-N 447.301 3.911 0 40 IHAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN(C)C)c(C)n1-c1nccs1 223215084 RXJDNEIAYXDVEI-PMACEKPBSA-N 440.642 3.870 0 40 IHAB O=C(c1cccc(S(=O)(=O)Nc2ccccc2)c1)N1CCN(c2ccccc2F)CC1 223919198 HUVKENCZKMFCDG-UHFFFAOYSA-N 439.512 3.589 0 40 IHAB COc1cccc(OCCNC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2C)c1 224079107 PDKHUKYTXGIJPX-UHFFFAOYSA-N 440.521 3.613 0 40 IHAB CC(=O)Nc1ccnn1CCNC(=O)c1ccc2c(c1O)[C@@H]1C[C@H](C)CC[C@H]1C(C)(C)O2 257296254 RBXPYJLAEBDPFP-ZTFGCOKTSA-N 440.544 3.668 0 40 IHAB O=C(C1CCN(Cc2cccnc2)CC1)N1CCC[C@@H]1c1nc(Cc2ccc(F)cc2)n[nH]1 257309822 UCNHZXVEGFJZLG-JOCHJYFZSA-N 448.546 3.505 0 40 IHAB CC[C@@H](C(=O)N[C@H](C)c1ccc2c(c1)CCCC2)N(c1cccc(OC)c1)S(C)(=O)=O 260922428 GRXDGJIKSLZFAZ-HXOBKFHXSA-N 444.597 3.996 0 40 IHAB CCOC(=O)COc1ccc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)cc1OC 408632681 GVDMQJOFXNDROL-WQRHYEAKSA-N 429.450 3.996 0 40 IHAB COc1ccc(C(=O)Nc2c(F)cccc2F)cc1S(=O)(=O)NCCc1ccccc1 408713738 RDWXJWZYGITRFI-UHFFFAOYSA-N 446.475 3.747 0 40 IHAB Cc1ccc2cc(CN(Cc3cccs3)C(=S)NC[C@H]3CCCO3)c(=O)[nH]c2c1 884494 GDCUMRXWZYSEHN-GOSISDBHSA-N 427.595 3.954 0 40 IHAB CC1=C(C(N)=O)[C@H](c2ccc(Br)cc2)N2NC(c3ccc(Cl)cc3)=NC2=N1 940660 HLIHVWCJPKFPPP-INIZCTEOSA-N 444.720 3.540 0 40 IHAB CCc1cc(=O)oc2cc(OC(=O)[C@H](C)NS(=O)(=O)c3ccc(C)cc3)c(Cl)cc12 2147471 ZSYZYOUXIURLRZ-ZDUSSCGKSA-N 449.912 3.590 0 40 IHAB biogenic Cc1nn(C(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)c2c1[C@H]1[C@@H](C2)C1(C)C 2312120 FQAZSDGOMZMZSF-IIBYNOLFSA-N 432.501 3.553 0 40 IHAB CCOCCCNC(=O)c1c(N)n(CCc2ccc(OC)cc2)c2nc3ccccc3nc12 2376727 YJKJNIZFLGQYPY-UHFFFAOYSA-N 447.539 3.574 0 40 IHAB CC(=O)OCC(=O)[C@@]1(OC(C)=O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 5383220 IASNEQDWRXBECK-RGJWXQDMSA-N 430.541 3.952 0 40 IHAB CC(=O)Oc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(F)cc4)[C@@H]3C2=O)cc1 6142237 UVAZWQPBCIEZCG-VABKMULXSA-N 446.434 3.802 0 40 IHAB COc1cc(C(C)=O)ccc1OCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 8229892 YZVLKFKRDXGCKE-IBGZPJMESA-N 425.481 3.802 0 40 IHAB Cc1ccc2nc(-c3ccc(N4C(=O)C[C@@H](N5CCC[C@H](CO)C5)C4=O)cc3)sc2c1 8414672 ARPPWDFZLBIMCX-OXJNMPFZSA-N 435.549 3.608 0 40 IHAB Cc1cccc(N2C(=O)[C@H](CC(=O)Nc3cccc(F)c3)N(CCc3ccncc3)C2=O)c1 8599521 LICYYFAUNUCCAP-QFIPXVFZSA-N 446.482 3.938 0 40 IHAB C[C@H](Sc1ccccc1C(=O)O[C@H](C)C(=O)NC1CCCC1)C(=O)NC1CCCC1 9057962 IFGQCFANNATYMW-CVEARBPZSA-N 432.586 3.830 0 40 IHAB O=S(=O)(NCc1ccco1)c1cccc(Nc2ncnc3sc4c(c23)CCC4)c1 9120760 ZVWHHRLBWXMEHI-UHFFFAOYSA-N 426.523 3.995 0 40 IHAB CCOC(=O)Nc1ccc2c(CN3C(=O)NC4(CCCCCC4)C3=O)cc(=O)oc2c1 9124782 GFXYGDBWLMXAPX-UHFFFAOYSA-N 427.457 3.506 0 40 IHAB CC(C)NC(=O)c1ccccc1NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 9197348 JYVMKVPEJFWOAQ-UHFFFAOYSA-N 427.932 3.969 0 40 IHAB COc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H]3C(=O)Nc2ccc3c(c2)OCO3)cc1 9301591 ZXYBMTOLBHQRPF-HNNXBMFYSA-N 437.477 3.801 0 40 IHAB Cc1ccc(CN(C(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)[C@@H]2CCS(=O)(=O)C2)o1 9431346 DKZZBVKHPOLIBC-IAGOWNOFSA-N 439.961 3.841 0 40 IHAB COc1ccc(-c2cnnn2-c2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2)cc1 9469110 QHGMYFRSUCWYOP-UHFFFAOYSA-N 439.519 3.905 0 40 IHAB O=C(NCCCn1ccc2ccccc21)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 9470932 KBZBWTMUVHSCIC-UHFFFAOYSA-N 445.972 3.899 0 40 IHAB O=C(CSc1nnc(NC(=O)CCc2ccccc2)s1)NCc1ccc(F)cc1 9600167 PKQJWXRUWLTXPH-UHFFFAOYSA-N 430.530 3.657 0 40 IHAB COc1ccc(C(=O)Nc2nc(CC(=O)NCc3c(F)cccc3F)cs2)cc1OC 9659203 MXRUIBDLYSZIRB-UHFFFAOYSA-N 447.463 3.550 0 40 IHAB O=C(COc1ccccc1C(=O)c1cnn(-c2ccccc2)c1)NCc1ccc(F)cc1 9749736 ZNOLCRJVHAPRDU-UHFFFAOYSA-N 429.451 3.938 0 40 IHAB COc1ccc(C(=O)C[C@]2(O)C(=O)N(CCOc3ccccc3)c3ccccc32)c(OC)c1 9926272 GFFIQECGWNSRSU-AREMUKBSSA-N 447.487 3.590 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](C)c3ccccc3)C2)cc1Cl 9974643 JBTSQPCXPACFQL-DOTOQJQBSA-N 436.961 3.627 0 40 IHAB O=C(NC[C@@H](c1ccco1)N1CCCC1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 10030606 OHJQYKSUYUVEEP-QUCCMNQESA-N 429.948 3.739 0 40 IHAB O=C(c1cccc(NS(=O)(=O)c2ccccc2)c1)N1CCN(c2ccc(F)cc2)CC1 10112734 ZKLRMXXKASQRDD-UHFFFAOYSA-N 439.512 3.589 0 40 IHAB O=C(NCCCCOc1ccccc1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 11080419 DYWGZRHNRDWGAA-UHFFFAOYSA-N 438.549 3.754 0 40 IHAB Cc1cccc(C)c1OCC(=O)N1CCC[C@H](c2nc3ccc(F)cc3cc2C(N)=O)C1 12256243 DLHQBSRMYJDSTC-KRWDZBQOSA-N 435.499 3.875 0 40 IHAB Cc1ccc(-c2nn(CN(C)[C@H]3CCS(=O)(=O)C3)c(=S)n2-c2ccc(C)cc2)cc1 12594581 NQKAIJHBUKWPKR-FQEVSTJZSA-N 442.610 3.764 0 40 IHAB COc1ccc(COC(=O)CCCC(=O)OCc2ccc(OC)c(OC)c2)cc1OC 12615387 DUSCLJPUAKFLQZ-UHFFFAOYSA-N 432.469 3.678 0 40 IHAB C[C@@H](NC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)c1cccc2ccccc12 12731220 WFLOSUDEVSEJPI-XLIONFOSSA-N 438.549 3.788 0 40 IHAB CCNS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(F)c(F)c3)c(C)s2)cc1 12763428 IHEVYEOQIPWCTR-UHFFFAOYSA-N 437.493 3.947 0 40 IHAB COc1cc(/C=C/C(=O)NC[C@H](c2cccs2)N2CCOCC2)ccc1OC(C)C 12798186 ADSCRUXFIMHSCR-QRBZPYHOSA-N 430.570 3.747 0 40 IHAB O=C(COCc1nc2ccccc2c(=O)[nH]1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 12823758 MVETZDYAXTVSAS-JOCHJYFZSA-N 425.488 3.614 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)COc2ccc(Cl)c(C)c2)c1 13113247 VDKVHJPCQDOTGH-UHFFFAOYSA-N 440.949 3.705 0 40 IHAB O=S1(=O)c2ccccc2[C@H](O)[C@@H](Cc2c(F)cccc2Cl)N1Cc1cccnc1 13690273 BYYBMMMYSVDTPP-CTNGQTDRSA-N 432.904 3.723 0 40 IHAB O=C(c1ccc(Br)cc1)N1CCC(C(=O)N2CCc3ccccc3C2)CC1 14185431 NKEKABPEMWTFCU-UHFFFAOYSA-N 427.342 3.886 0 40 IHAB Nn1c(SCCCn2c(=O)[nH]c3ccccc32)nc2scc(-c3ccccc3)c2c1=O 15088170 WUNJVIXOXZKVHO-UHFFFAOYSA-N 449.561 3.664 0 40 IHAB COc1ccccc1NS(=O)(=O)c1cc(C(=O)NCCc2cccc(F)c2)ccc1F 15183366 JVZZQJKVDITSDF-UHFFFAOYSA-N 446.475 3.747 0 40 IHAB COc1cc(C(C)=O)ccc1OC[C@H](O)CSc1nnc(C)n1-c1ccc(C)cc1 15233871 OTMOCKXRBNSDLR-IBGZPJMESA-N 427.526 3.627 0 40 IHAB COc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3cc4ccccc4o3)C2=O)cc1Cl 15397394 HVRMCOVDVLNXEI-NRFANRHFSA-N 427.844 3.501 0 40 IHAB C[C@H](OC(=O)CCCSc1nc2ccccc2s1)C(=O)NC(=O)NC1CCCC1 16718568 SDHBMNOYZZIDOV-ZDUSSCGKSA-N 435.571 3.869 0 40 IHAB Cn1c(=O)c2ccccc2n2c(CSc3nnc(-c4cccs4)n3C3CC3)nnc12 17272320 FFCGCZSFBSJRER-UHFFFAOYSA-N 435.538 3.528 0 40 IHAB CCN1CCN(C(=O)c2ccn(C)n2)C[C@@H](Cc2ccc(-c3cccc(C)c3)cc2)C1=O 19527312 FHMGLNWWBJOUJR-HSZRJFAPSA-N 430.552 3.559 0 40 IHAB COc1ccc(CC(=O)N2C[C@@H]3CCCCN(Cc4cccc(F)c4)[C@@H]3C2)cc1OC 19560556 GBGZAJYXVMQPNC-RBBKRZOGSA-N 426.532 3.899 0 40 IHAB CC(C)N1CCC(C(=O)N2CCC[C@@H](c3ccc(-c4cccc(C(N)=O)c4)cn3)C2)CC1 19689144 OVKHQQMZXKREDJ-HSZRJFAPSA-N 434.584 3.674 0 40 IHAB Cc1ccccc1OCCN1C(=O)CCc2c(C)nc(CN(C)C(=O)C[C@@H]3C=CCC3)nc21 19698412 HBVZPLFWSLPPML-HXUWFJFHSA-N 448.567 3.766 0 40 IHAB COc1ccc(-c2nc([C@H]3CCCN(C(=O)CCc4ccccc4)C3)[nH]c2C(N)=O)cc1 19698836 MUASGUOEMMOQRS-IBGZPJMESA-N 432.524 3.523 0 40 IHAB CCCNC(=O)C1(Cc2ccccc2-c2ccncc2)CCN(C(=O)c2cnccn2)CC1 19700173 ODTGDSYYCGMKCI-UHFFFAOYSA-N 443.551 3.530 0 40 IHAB COc1ccccc1CNc1n[nH]c2nc([C@H]3CCN(C(=O)c4ccccn4)C3)ccc12 19705037 NIHYTWWSKONIOT-KRWDZBQOSA-N 428.496 3.603 0 40 IHAB Cc1ccc(-c2ncc(CN3CCO[C@H](c4cc(C(N)=O)c5ccccc5n4)C3)cn2)cc1 19762302 DUZSFEQINTVVNR-DEOSSOPVSA-N 439.519 3.673 0 40 IHAB O=C(Nc1ccc(C(F)(F)F)cc1)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 19857493 OYWYLQNPTIAJTP-INIZCTEOSA-N 426.460 3.886 0 40 IHAB O=C(N[C@H]1CCCc2ccccc21)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 19933518 JRBIPBCBHHDXSM-QFIPXVFZSA-N 430.545 3.561 0 40 IHAB CCCCCNC(=O)CN1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1cc(OC)c(OC)c(OC)c1 20391622 JDZOWKQXEHPTLN-HFRGRHLUSA-N 448.604 3.687 0 40 IHAB CN1CCC(N2C[C@@H]3C[C@H](C2)c2ccc(-c4ccc(OC(F)(F)F)cc4)c(=O)n2C3)CC1 20503239 YJDAMFYEVSXTSM-FUHWJXTLSA-N 447.501 3.927 0 40 IHAB biogenic,in-vitro O=C(NCCc1ccc(OC(F)F)cc1)c1occc1CS(=O)(=O)c1ccccc1 22024050 YVYGZHDJQWAXON-UHFFFAOYSA-N 435.448 3.827 0 40 IHAB O=C(NCc1ccc2c(c1)OCO2)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 22530783 AMDVEUKZXHCFSJ-UHFFFAOYSA-N 444.896 3.800 0 40 IHAB C[C@H](NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 22535380 PXRGXNPBNFTOTQ-SFHVURJKSA-N 426.513 3.894 0 40 IHAB O=C(CN1CCN(Cc2cccs2)CC1)Nc1ccccc1C(=O)Nc1ccccc1 22794961 YPUMCVGPXLCAMR-UHFFFAOYSA-N 434.565 3.757 0 40 IHAB Cc1ccc(S(=O)(=O)N(Cc2cccc3ccccc23)C(=O)N2CCN(C)CC2)cc1 23686914 HDGJFLVCYAXSLU-UHFFFAOYSA-N 437.565 3.707 0 40 IHAB CCOc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2)cc1 24607217 BBQBZPNVQXYSAL-UHFFFAOYSA-N 436.961 3.919 0 40 IHAB CCn1c(=O)n(CC(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)c2ccccc21 24691552 XLGBKZMPVXDUIB-MRXNPFEDSA-N 436.537 3.645 0 40 IHAB CN(C)S(=O)(=O)c1ccc(C(=O)OCCOC(c2ccccc2)c2ccccc2)cc1 24964571 PRWIVQPVZOHVPC-UHFFFAOYSA-N 439.533 3.900 0 40 IHAB CCOc1cc2c(cc1NC(=O)CSc1nncn1-c1ccc(OC)cc1)O[C@H](C)C2 26612391 LSIMNWZRRYSQCO-CQSZACIVSA-N 440.525 3.729 0 40 IHAB C[C@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(Cc2coc(-c3cccc(Cl)c3)n2)C1=O 26777955 XEMIIEZQNRFUNR-JOCHJYFZSA-N 439.855 3.777 0 40 IHAB CC1=C[C@@H](CN2CCN(CCO)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2)o1 30882787 XHJYYSLYIQQMBC-HJOGWXRNSA-N 438.616 3.744 0 40 IHAB biogenic,in-vitro CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)COc1ccc(C)cc1Br 32739270 FLVOIWSVVDCPAA-UHFFFAOYSA-N 435.318 3.632 0 40 IHAB O=S(=O)(c1ccc(Sc2nc(C(F)(F)F)nc3ccccc23)nc1)N1CCCC1 32739705 YGKHBGYKDPVDDH-UHFFFAOYSA-N 440.472 3.979 0 40 IHAB c1ccc(-c2nnc3n2[C@H](CSc2nnc(NC[C@@H]4CCCO4)s2)CS3)cc1 32906022 HQVAOOFSFXOUDZ-KBPBESRZSA-N 432.600 3.827 0 40 IHAB O=C(COC(=O)c1ccc(N2C(=O)CCC2=O)cc1)Nc1ccc(Oc2ccccc2)cc1 36240488 NOCOLPNESLCQAS-UHFFFAOYSA-N 444.443 3.928 0 40 IHAB CS(=O)(=O)N1CC[C@H](C(=O)Nc2ccc(F)c(Cl)c2)Oc2ccc(Cl)cc21 38853518 FAYMKMIJPWIRDG-MRXNPFEDSA-N 433.288 3.688 0 40 IHAB COc1ccccc1Cn1nc2nnc(-c3cccc(F)c3)c(-c3cccc(F)c3)n2c1=O 72339944 VQQWOGFUXIIUJW-UHFFFAOYSA-N 445.429 3.955 0 40 IHAB CC1=C[C@@H]([C@@H]2CC(=O)N(c3ccc(C)cc3)C2=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]12 100543218 CPQIYYIWZOCUGT-JITXHHKSSA-N 442.515 3.955 0 40 IHAB Cc1c(C)c2cc(Cl)c(O[C@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)cc2oc1=O 100765552 OUONAQFJFXQPST-KFWWJZLASA-N 435.904 3.838 0 40 IHAB O=C(Nc1ccc(Br)cc1)C1CCC(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)CC1 102081805 PBVMTJBZCLRUEN-MFHOKPTLSA-N 445.357 3.978 0 40 IHAB CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=S)NC(=O)c2cccc(C)c2)CC1 108109926 NTKFMXHHOXEQAR-UHFFFAOYSA-N 444.988 3.834 0 40 IHAB CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)ccc1OC(C)(C)C 108143803 CCCFQFVIRQAPKO-WJDWOHSUSA-N 442.468 3.735 0 40 IHAB Cc1ccc2c(c1)[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)CC(C)(C)O2 219698399 VLFZCSAJMIXFFG-SFHVURJKSA-N 436.961 3.688 0 40 IHAB Cc1ccc(CCCNC(=O)CN(c2ccc(C(F)(F)F)cc2)S(C)(=O)=O)cc1 220048712 HLVKISOYUHIHOA-UHFFFAOYSA-N 428.476 3.529 0 40 IHAB COC(=O)c1cn(C(=O)[C@@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)c2ccccc12 222591877 UMBDGMVTJVBOCZ-MRXNPFEDSA-N 428.510 3.540 0 40 IHAB CCOCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1 222925997 JKDVSTLHCQDNIW-QGZVFWFLSA-N 434.939 3.982 0 40 IHAB COc1ccc(CN(C(=O)C(C)C)[C@H](Cc2ccccc2)C(=O)NC[C@@H]2CCCO2)cc1 223273319 DLOUSXPBYRONAL-BJKOFHAPSA-N 438.568 3.586 0 40 IHAB CSc1cccc(NS(=O)(=O)c2nnc(NC(=O)c3ccccc3Cl)s2)c1 223878396 NFADIEUGDGMPFU-UHFFFAOYSA-N 440.959 3.967 0 40 IHAB Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)NCCOc1ccc(F)cc1 224079713 HHJBQJSVZDQTLN-UHFFFAOYSA-N 428.485 3.744 0 40 IHAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3cccc(F)c3)cc2C)cc1 224498375 FRYPCUNDGGFKIU-UHFFFAOYSA-N 442.512 3.898 0 40 IHAB COc1ccc2c(c1)CCC[C@@H]2NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 225481889 VJLJVQBYGSKOJK-QHCPKHFHSA-N 442.581 3.598 0 40 IHAB Cc1cc(Cc2cccc(C(F)(F)F)c2)cc([C@H]2CN(C(=O)Cn3cccn3)CCO2)n1 257284296 PCCDSVSIKITWRN-OAQYLSRUSA-N 444.457 3.796 0 40 IHAB CC[C@@H](C)Oc1cccc(C(=O)Nc2cc(C(=O)OC)ccc2N2CCN(C)CC2)c1 408567389 DKYBHKFJQSFGLM-QGZVFWFLSA-N 425.529 3.655 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](C)CCc3ccccc3)C2)cc1C 408584409 PKOOSGQVNXPOIA-PZJWPPBQSA-N 444.597 3.542 0 40 IHAB COc1ccc(OC)c(NC(=O)c2ccccc2N2C(=O)[C@H]3[C@@H]4C[C@H](C=C4C)[C@H]3C2=O)c1 408673751 UUTNWCFUAJDMSU-RBLYABSFSA-N 432.476 3.658 0 40 IHAB CCOc1ccc(N(CC(=O)NOCc2ccccc2)S(=O)(=O)c2ccccc2)cc1 408722896 YGUNAUBPLOIETN-UHFFFAOYSA-N 440.521 3.529 0 40 IHAB CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=O)N(CCOC)C2=O)cc1Cl 409125631 AEDYKALLJGDQRC-MDWZMJQESA-N 434.297 3.618 0 40 IHAB CC(=O)Nc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 409152143 JERLSJWEZYRJNG-YVLHZVERSA-N 429.885 3.973 0 40 IHAB O=C(Cc1ccc(F)cc1)N1CCO[C@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 607855352 TZGYWDUPIKZFHF-QFIPXVFZSA-N 443.906 3.966 0 40 IHAB COc1ccc2c(=O)n(CC3CCN(C(=O)c4nc5ccccc5s4)CC3)cnc2c1 1889295577 ZJPVMQKOSHJNJH-UHFFFAOYSA-N 434.521 3.567 0 40 IHAB CC(=O)OCC(=O)[C@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2130790 OTNAVSJAMNLXPF-GPZVHATJSA-N 432.557 3.744 0 40 IHAB CCOC(=O)c1c(NC(=S)NC(=O)c2ccccc2)sc2c1CCN(C(C)C)C2 2272207 DLKJJZWTUXHQKC-UHFFFAOYSA-N 431.583 3.818 0 40 IHAB COc1cccc(NC(=O)Cn2cc(C(=O)c3ccccc3)c(=O)c3cc(OC)ccc32)c1 2689829 HTUHVHYHRRJSTJ-UHFFFAOYSA-N 442.471 3.888 0 40 IHAB Cc1ccc(Nc2nnc(SCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)s2)c(C)c1 3291101 PENWNSVIASGGTJ-KRWDZBQOSA-N 442.566 3.803 0 40 IHAB CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)NCc1ccc(F)cc1 3429903 WIIRKLNGDBZFML-KRWDZBQOSA-N 439.350 3.756 0 40 IHAB COc1cccc([C@H]2C(C(N)=O)=C(C)N=C3N=C(SCc4ccccc4Cl)NN32)c1 4176627 RFUGRLRTEGYZPE-SFHVURJKSA-N 441.944 3.628 0 40 IHAB CCCNC(=S)N(Cc1ccc(OC)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O 4216149 BSCADYVIMPBHOJ-UHFFFAOYSA-N 425.554 3.832 0 40 IHAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)NCCC2=CCCCC2)c(Cl)c1 4778061 WDBARFUIUPCRGZ-UHFFFAOYSA-N 428.982 3.660 0 40 IHAB O=S(=O)(Nc1nc2ccccc2nc1-[n+]1ccc(-c2ccncc2)cc1)c1ccccc1 6023419 IMLJNYPFPAMZQE-UHFFFAOYSA-N 440.508 3.769 0 40 IHAB COc1ccc2c(COC(=O)[C@@H]3CC(=O)N([C@@H]4CCC[C@@H](C)[C@H]4C)C3)cc(=O)oc2c1 7331868 MBKIVMRPBMBQRT-AXHMDWHKSA-N 427.497 3.518 0 40 IHAB CCn1c(CN2CCc3sccc3[C@@H]2C2CC2)nc2cc(S(=O)(=O)N(C)C)ccc21 8778578 VCWKZZRGDRDZIS-QFIPXVFZSA-N 444.626 3.877 0 40 IHAB CCn1c(CNC(=O)c2cccc(C)c2)nnc1S[C@@H](C)c1nc2ccccc2c(=O)[nH]1 8784453 USNNPXADMXVXSD-HNNXBMFYSA-N 448.552 3.626 0 40 IHAB COc1cc(C(=O)Nc2nnc(-c3ccc(Br)cc3)o2)cc(OC)c1OC 9275135 ZKGFEVDPJYPNRI-UHFFFAOYSA-N 434.246 3.777 0 40 IHAB C[C@@H](OC(=O)/C=C/c1ccc(OC(F)F)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 9512026 RWDUGFWIRDVDTN-TUJADDFYSA-N 446.450 3.708 0 40 IHAB CN(Cc1ccc(Cl)cc1)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 9801030 AVCRSCHBJOHKOK-UHFFFAOYSA-N 435.977 3.856 0 40 IHAB COc1ccc(N([C@H](C)C(=O)Nc2cccc(OC(C)C)c2)S(C)(=O)=O)cc1Cl 10313933 KGAATNBCMRGZSK-CQSZACIVSA-N 440.949 3.929 0 40 IHAB CC1=C(C(=O)Nc2cc(C)on2)[C@H](c2ccc(F)c(Br)c2)N(C)C(=O)N1C 10353592 NSYICHGFKYJYNU-INIZCTEOSA-N 437.269 3.836 0 40 IHAB O=C(COC(=O)c1cc(Cl)c2c(c1)OCO2)Nc1ccnn1Cc1ccccc1Cl 10714012 ZFKCTTJCSSUBAN-UHFFFAOYSA-N 448.262 3.762 0 40 IHAB O=C(N[C@]1(C(F)(F)F)N=C(c2ccccc2)N(C2CCCCC2)C1=O)c1cccnc1 12376089 MDXULLQKIQULMN-OAQYLSRUSA-N 430.430 3.692 0 40 IHAB CCOc1cc2c(cc1OCC)CN(CN1C(=O)NC3(C1=O)[C@@H](C)CCC[C@@H]3C)CC2 12740017 HEPBKGWTGLOXJF-IRXDYDNUSA-N 429.561 3.546 0 40 IHAB CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCO[C@@H](c2ccccc2)C1 12762243 NLFYBTLLXYUERB-VQTJNVASSA-N 432.973 3.792 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCc4sccc4[C@H]3C)CC2)c(C)c1 12788826 UXPNWFRMSANTQA-QGZVFWFLSA-N 432.611 3.912 0 40 IHAB CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)C[C@H]1Sc2ccccc2NC1=O 12989630 SLWWMSCWFBEXEK-OAHLLOKOSA-N 438.336 3.893 0 40 IHAB C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1cccc(Cl)c1 13005093 IEVVMGZLRMPBNS-CYBMUJFWSA-N 443.352 3.505 0 40 IHAB Cc1nn(-c2ccc(N3CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)nn2)c(C)c1C 13008994 POAJGUZQVFSVNL-UHFFFAOYSA-N 444.461 3.569 0 40 IHAB COC(=O)CCc1c(C)nn(-c2ccc(C(=O)Oc3ccc(C(=O)OC)cc3)cc2)c1C 13148504 GNWLVFPNRDLEFE-UHFFFAOYSA-N 436.464 3.601 0 40 IHAB Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccc(Cl)c(Cl)c2)c(=O)n(-c2ccccc2)n1C 13149132 KBTDLTYGLYHOAU-CYBMUJFWSA-N 448.306 3.975 0 40 IHAB COc1ccc(Cc2nnc(SCC(=O)Nc3cccc(C(C)=O)c3)o2)cc1OC 13566933 MUUWAOFNNBPYBK-UHFFFAOYSA-N 427.482 3.611 0 40 IHAB CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)COC(=O)C1(O)CCCCC1 14323845 PYFZSPDTLLABED-UHFFFAOYSA-N 435.498 3.670 0 40 IHAB O=C(NCc1ccc(Cl)cc1Cl)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 15582764 KAJVDFWJAXRJFV-CQSZACIVSA-N 445.343 3.850 0 40 IHAB Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1cccc(O)c1)N(CCCn1ccnc1)C3=O 15671140 XCRHYYBLZPXKEA-JOCHJYFZSA-N 429.476 3.947 0 40 IHAB Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N3c4ccccc4C[C@H]3C)CC2)c(C)c1 16022560 FIJZQIFOPGCJEH-LJQANCHMSA-N 426.582 3.990 0 40 IHAB COc1ccc(C(=O)NC(=S)Nc2cccc(-c3nn4c(C)nnc4s3)c2C)cc1 17102351 BQJGIMGOYWQAIN-UHFFFAOYSA-N 438.538 3.605 0 40 IHAB Cc1ccccc1-n1c(SCc2nnnn2-c2ccccc2)nnc1-c1cccnc1 17542151 CKONHFMUEAQRPU-UHFFFAOYSA-N 426.509 3.906 0 40 IHAB CNC(=O)c1[nH]c(C2CCN(Cc3cnc(C)s3)CC2)nc1-c1ccc(OC)cc1 19698855 NWRPOFDCIKXZBW-UHFFFAOYSA-N 425.558 3.589 0 40 IHAB COCCNC(=O)c1sc2ncccc2c1[C@@H]1CCN(C(=O)Cc2cccc(C)c2)C1 19701964 ORLNIRUVUBRZHR-GOSISDBHSA-N 437.565 3.540 0 40 IHAB Cc1cc(C)cc(N(CC(=O)NCCSCc2cccc(Cl)c2)S(C)(=O)=O)c1 20236766 SGTQVIWEFRCACA-UHFFFAOYSA-N 441.018 3.772 0 40 IHAB O=C(OC[C@H](c1ccccc1)N1CCS(=O)(=O)CC1)c1ccc(Cl)c(Cl)c1 20387798 OGCSCZQMCGGDLI-GOSISDBHSA-N 428.337 3.622 0 40 IHAB COc1cccc2cc(-c3nnc(NC(=O)[C@H]4CC(=O)N(c5ccc(F)cc5)C4)o3)oc12 22677373 TZAUSTMFPASPFH-ZDUSSCGKSA-N 436.399 3.622 0 40 IHAB O=C(N1CCC(NS(=O)(=O)c2cccs2)CC1)C1(c2cccc(F)c2)CCCC1 26115285 IYOLGQNKNJXUQU-UHFFFAOYSA-N 436.574 3.669 0 40 IHAB COc1ccc(SCC(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1OC 30865543 ZDSSQGUIQJRGLD-UHFFFAOYSA-N 426.494 3.958 0 40 IHAB CC(C)Oc1ccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)cc1 30940262 XBGVGABAADIVDW-NRFANRHFSA-N 446.569 3.937 0 40 IHAB CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)CSc1nnnn1C1CC1 32407739 UMVFEGVQTTWKLV-UHFFFAOYSA-N 445.552 3.611 0 40 IHAB COc1ccc(NC(=O)[C@H]2Sc3nc(O)sc3[C@@H]3c4ccccc4OC(=O)[C@H]23)cc1 32594622 HAZYMJSCSVRNRK-PMPSAXMXSA-N 440.502 3.637 0 40 IHAB COc1ccccc1N1C[C@H](C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)CC1=O 32721399 MVFCYSPGXLZFIO-MOPGFXCFSA-N 436.508 3.573 0 40 IHAB C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc(Cl)ccc2N2CCCCC2)C1=O 33000230 DXJVCIZGXKNABZ-QHCPKHFHSA-N 440.931 3.736 0 40 IHAB COc1ccc([C@H]2CCCN2CC(=O)N2CCN([C@H](C)c3ccccc3)CC2)c(OC)c1 35269017 AYGFGNSZNSXOQQ-HYBUGGRVSA-N 437.584 3.746 0 40 IHAB COc1ccc2[nH]c(=O)c([C@@H]3c4cc(OC)c(OC)cc4CCN3C(=O)C(C)C)cc2c1 35314692 SGRDOROTOJQXCR-QHCPKHFHSA-N 436.508 3.684 0 40 IHAB CC[C@H](Sc1nnc(-c2ccccc2NC(C)=O)c(O)n1)C(=O)Nc1ccc(F)cc1 35377886 ZTTFNFXBCYDMDU-KRWDZBQOSA-N 441.488 3.851 0 40 IHAB COc1ccc(C(=O)Nc2ccccc2OC(F)(F)F)cc1S(=O)(=O)NC(C)(C)C 40012276 FXIRJFMYJZEUBC-UHFFFAOYSA-N 446.447 3.923 0 40 IHAB O=C(Nc1cccnc1N1CCOCC1)c1cc(Br)c(Br)s1 58366959 GERVQWRRXLPJMN-UHFFFAOYSA-N 447.152 3.757 0 40 IHAB CCc1ccccc1NC(=O)Cn1c(-c2ccc(F)cc2)nc2c(c1=O)CN(CC)CC2 62007148 QBYRMSYQTIJRSB-UHFFFAOYSA-N 434.515 3.629 0 40 IHAB CCOc1ccc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3O2)cc1 64985286 KNZAUJOYHHDCEH-JOCHJYFZSA-N 438.505 3.680 0 40 IHAB CCCN(CCC)C(=O)Cn1c(=O)n(CCc2ccccc2)c(=O)c2oc3ccccc3c21 71326919 XRYWDQYZKVWYQJ-UHFFFAOYSA-N 447.535 3.801 0 40 IHAB Cc1cc(-c2cc(=O)n(CC(=O)NCc3ccccc3F)nc2-c2ccc(C)s2)on1 72337630 FIPFJQCEGKDQHO-UHFFFAOYSA-N 438.484 3.699 0 40 IHAB CC(C)c1ncc(CN2CCN(c3c(F)cccc3[C@@H](O)c3nccs3)CC2)cn1 72340624 IYOJBXFNZCARSE-HXUWFJFHSA-N 427.549 3.600 0 40 IHAB CCS(=O)(=O)N1CCCC[C@H]1c1nnc(C2CCN(Cc3ccc(C)c(C)c3)CC2)o1 72344914 HZVJFEMQPYXWAZ-NRFANRHFSA-N 446.617 3.943 0 40 IHAB CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)CCc2c(C)nn(CC(C)C)c2C)c1 95444842 MTGAZERGVWTLIG-QGZVFWFLSA-N 448.633 3.945 0 40 IHAB Cc1cccn2c(=O)c3cc(C(=O)Nc4ccc5c(c4)N4CCN=C4CS5)sc3nc12 96347326 CRZIUBGRWVZWMI-UHFFFAOYSA-N 447.545 3.794 0 40 IHAB O=C(O)/C(=C/c1ccc(Br)cc1)c1ccc(S(=O)(=O)N2CCCC2)s1 96792190 VAXNNFKSXCNTLT-SDNWHVSQSA-N 442.356 3.920 0 40 IHAB CCOc1ncc(C2(O)[C@H]3CCC[C@H]2CN(Cc2cccc(F)c2F)C3)c(OCC)n1 100149743 YPEZHGKZLXLXDN-IRXDYDNUSA-N 433.499 3.672 0 40 IHAB O=C(C1CC1)N1CCc2nc3cc([C@@H]4CCCCN4Cc4ccc(F)cc4)nn3c(O)c2C1 100233896 KHZYQIXIAWPFJD-QFIPXVFZSA-N 449.530 3.596 0 40 IHAB COc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)c(OC)c1 102728526 JHOANXJVAKMHAI-XPWALMASSA-N 430.460 3.755 0 40 IHAB O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)NCCC1=CCCCC1 108953334 RVKHOONIKUQVBO-UHFFFAOYSA-N 440.565 3.824 0 40 IHAB COC(=O)[C@H]1C[C@@]2(O)[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1c1ccc(=O)oc1 118928501 FCBMOZHERSIGKF-GAHGNTATSA-N 444.568 3.641 0 40 IHAB CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@]5(CC[C@]4(C)[C@H]3C(=O)C[C@]12C)N[C@H](C(=O)O)CS5 118936370 PCUNKKKWXLSSHX-OBSRBCHMSA-N 433.614 3.899 0 40 IHAB CC(C)OC(=O)CN1C(=O)S/C(=C/c2cc(Cl)cc(Br)c2O)C1=O 205703853 YWUBHLXRPFTHPA-NYYWCZLTSA-N 434.695 3.796 0 40 IHAB CC[C@H](NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1Cl)c1ccc(OC)c(OC)c1 222524781 IDVXUPPLDYMCGO-KRWDZBQOSA-N 440.949 3.634 0 40 IHAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc2c(c1)OCO2 223134842 CDHHQVHWWGYERZ-DLBZAZTESA-N 428.504 3.819 0 40 IHAB COCCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)COc1ccccc1 223365208 ZEMLBULGHLOZCN-VWLOTQADSA-N 432.520 3.598 0 40 IHAB O=C(NCc1nc(-c2cccs2)no1)c1cccc(S(=O)(=O)Nc2ccccc2)c1 223931157 JJWJWECUHHCOKW-UHFFFAOYSA-N 440.506 3.529 0 40 IHAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(OC)cc1 223980767 AOTWRIKUZHCZHP-QHCPKHFHSA-N 426.557 3.970 0 40 IHAB CC(C)(Cc1ccccc1)NC(=O)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 224305300 FVZJBCPFDYGGPA-HSZRJFAPSA-N 442.625 3.799 0 40 IHAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1cc(OC)cc(OC)c1 225079402 INZCHRFVERUWJK-OALUTQOASA-N 442.556 3.723 0 40 IHAB CC[C@H](NS(=O)(=O)c1ccc2cc(OC)ccc2c1)c1ccc(S(C)(=O)=O)cc1 225471282 NJHJNYJCFKHNBL-NRFANRHFSA-N 433.551 3.682 0 40 IHAB Cc1cc(OC[C@]2(CC(=O)N3CCOCC3)CCCN(Cc3ccc[nH]3)C2)ccc1Cl 257295646 QZHARVXVKCOANN-DEOSSOPVSA-N 445.991 3.887 0 40 IHAB Cc1ccc(Cl)cc1N([C@H](C)C(=O)NCCc1ccc(Cl)cc1)S(C)(=O)=O 260846273 JWKFMJHTBUFFNK-CQSZACIVSA-N 429.369 3.815 0 40 IHAB CC(=O)N(C)c1ncc(-c2nc(C(=O)NCc3ccc(F)c(F)c3)c3ccccn23)s1 306124865 CBAVPEMJJSRRSM-UHFFFAOYSA-N 441.463 3.649 0 40 IHAB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OCC)c(Br)c2)NC(=S)N1 408603374 GEYQENHDJWAHEJ-MRXNPFEDSA-N 427.364 3.984 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC(=O)NCCCOC(C)C)c2ccc(C)cc2)cc1 409312895 OFJTZSYSGAZBJB-UHFFFAOYSA-N 448.585 3.520 0 40 IHAB O=C(NC[C@@H]1CC[C@@H]2CN(C(=O)c3cccnc3)c3ccccc3CN12)c1ccsc1 585110080 HBHIWNDLKZGPPR-LEWJYISDSA-N 432.549 3.567 0 40 IHAB CC(=O)N[C@@]12CNCC[C@@H]1[C@@H](c1ccccc1)N(C(=O)C1(c3ccccc3)CCCCC1)C2 585261787 MDCDUBXYBRWCKS-INNMJMHTSA-N 445.607 3.956 0 40 IHAB Cc1cccnc1Nc1cc(CC2CCN(C(=O)/C=C/c3c(C)nn(C)c3C)CC2)ncn1 585291347 BJIRSFFCOXOOGV-BQYQJAHWSA-N 445.571 3.768 0 40 IHAB CC(=O)N1CCCCCCCN(C(C)C)Cc2cc(C(=O)N3CCC[C@H](O)C3)ccc21 643576310 VYEIRILYYJCSRX-QHCPKHFHSA-N 429.605 3.811 0 40 IHAB Cc1ccc(Cn2c(SCc3ccccc3Cl)nc3c2c(=O)[nH]c(=O)n3C)cc1 850867 PNHFAPLPBDBVOB-UHFFFAOYSA-N 426.929 3.726 0 40 IHAB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3ncnn32)cc1Br 955868 SRVSQNPNNGGGCN-SFHVURJKSA-N 440.301 3.977 0 40 IHAB CC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc(C)cc2oc(=O)c(C)c(C)c12 2147975 NVWCLVOUKONUCQ-GOSISDBHSA-N 443.521 3.689 0 40 IHAB biogenic Nn1c(SCC(=O)Nc2c(F)cc(F)cc2Br)nnc1C1CCCCC1 2395598 MMOXVFHRRXHIFA-UHFFFAOYSA-N 446.321 3.811 0 40 IHAB COCCCn1c(N)c(C(=O)N[C@H](C)CCc2ccccc2)c2nc3ccccc3nc21 2441603 UACBERDWIUBHPY-QGZVFWFLSA-N 431.540 3.954 0 40 IHAB COc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OC 2622615 KANHXYFRZAAEIL-UHFFFAOYSA-N 438.505 3.708 0 40 IHAB CC(=O)Nc1sc2c(c1C(=O)O[C@H](C)C(=O)Nc1ccc3c(c1)OCCO3)CCCC2 3358502 XHSTWBOHTUOYOM-GFCCVEGCSA-N 444.509 3.541 0 40 IHAB CCCc1cc(N2CCC[C@H](C(=O)Nc3cc(Cl)ccc3OC)C2)n2ncnc2n1 4355322 GMCKKOFNVZFNLH-AWEZNQCLSA-N 428.924 3.594 0 40 IHAB Cc1cc(C)c2c(N)c(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)sc2n1 6023404 OTAXXYCIQNASDA-UHFFFAOYSA-N 430.555 3.532 0 40 IHAB CCOc1ccc(OCCNCc2ccc(O[C@H](C)C(=O)N(C)C)c(OCC)c2)cc1 7983983 LVXVJNYELOXGLS-GOSISDBHSA-N 430.545 3.508 0 40 IHAB CC(C)Sc1ncc(Cl)c(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)n1 8613786 PLADIFZVYIXMOV-UHFFFAOYSA-N 442.975 3.896 0 40 IHAB O=C1N[C@@H](c2ccc(Br)cc2)[C@@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1 9030195 CELBTHLFXVNITK-SLEUVZQESA-N 449.248 3.615 0 40 IHAB CCOC(=O)C1=NN[C@@]2(CCc3ccccc3C2=O)[C@H]1c1ccc(Br)cc1 9216368 VWXLTEARPYDCAD-UWJYYQICSA-N 427.298 3.623 0 40 IHAB CCCCn1c(SCC(=O)Nc2ccc(C)cc2C)nc2cc(S(N)(=O)=O)ccc21 9284052 ARSKCTJXJMVJDL-UHFFFAOYSA-N 446.598 3.831 0 40 IHAB CCOc1ccc(NC(=O)CSc2nnc(-c3cnccn3)n2Cc2ccco2)cc1 9459630 PRADIHHYIZDZPE-UHFFFAOYSA-N 436.497 3.506 0 40 IHAB Cc1cc(C)n2c(SCC(=O)N3CCC(c4nc5ccccc5s4)CC3)nnc2n1 9546960 YLZJREOHARSPFO-UHFFFAOYSA-N 438.582 3.849 0 40 IHAB Cn1c(CC(=O)Nc2ccc(Cl)cc2)nnc1SCc1nnc(-c2ccccc2)o1 9582312 HBHZOFGTRSJPMY-UHFFFAOYSA-N 440.916 3.992 0 40 IHAB Cc1ccc(C(=O)[C@H](C)OC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 9590935 RRJVFNWSEJPLLR-GOEBONIOSA-N 430.298 3.925 0 40 IHAB COc1ccc(-c2noc(CN3C(=O)N[C@](C)(c4ccc5ccccc5c4)C3=O)n2)cc1 9722946 XZXHFNRHEYLZFW-XMMPIXPASA-N 428.448 3.866 0 40 IHAB CCOC(=O)c1sc(NC(=O)CSc2nnnn2-c2ccc(Cl)cc2)cc1C 9936908 AQGNCXZMWJBGDW-UHFFFAOYSA-N 437.934 3.593 0 40 IHAB CCOc1ccc(CNc2nc(NCc3ccc(OCC)cc3)n(C(=O)COC)n2)cc1 9948628 PHDXEMBVWLRTQX-UHFFFAOYSA-N 439.516 3.586 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N2CCc3[nH]c4ccccc4c3C2)cc1 9956590 DJPZBCHTHDDNMY-HSZRJFAPSA-N 437.565 3.604 0 40 IHAB O=C(Nc1ccc2scnc2c1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 10217671 AVSLXRHANVOQBB-LBPRGKRZSA-N 427.960 3.803 0 40 IHAB COc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2cccnc2)n2nnnc2N3)cc1OC 10336980 XQLRUPDGLZVURF-XZOQPEGZSA-N 440.463 3.645 0 40 IHAB COc1ccc(S(=O)(=O)N[C@H](C)c2cc(C)ccc2C)cc1C(=O)N1CCCCC1 10543930 XRAJMIMMFZENLK-GOSISDBHSA-N 430.570 3.978 0 40 IHAB O=C(COC(=O)c1sccc1-c1ccccc1)NCC(=O)Nc1ccc(F)c(F)c1F 10986716 RSIPFNRCYAAOAH-UHFFFAOYSA-N 448.422 3.744 0 40 IHAB CCOc1ccc(CC(=O)Nc2cc(-c3cn4nc(OC)ccc4n3)ccc2OC)cc1 11693450 WREQHEWNNGTQIP-UHFFFAOYSA-N 432.480 3.993 0 40 IHAB COc1cccc2cc(-c3cc(=O)oc4cc(OCC(=O)OC(C)C)ccc34)c(=O)oc12 11866229 VRBJWQMWHDLBQA-UHFFFAOYSA-N 436.416 3.905 0 40 IHAB biogenic C[C@@H](C(=O)NC(C)(C)C)N(C(=O)[C@H]1COc2ccccc2O1)c1cnc2ccccc2c1 12471402 JPXKOVDBZMVPKF-KSFYIVLOSA-N 433.508 3.711 0 40 IHAB C[C@@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)N1CC(=O)Nc2ccccc21 12601008 GQPRVEZNWDVPBY-CYBMUJFWSA-N 439.566 3.731 0 40 IHAB O=C(CCN1CCN(c2ccccc2O)CC1)Nc1ccccc1C(=O)c1ccccc1 12800594 BGBRXZGBYBKTHF-UHFFFAOYSA-N 429.520 3.774 0 40 IHAB O=C(NC1CCCCC1)[C@H](c1cccnc1)N(Cc1ccccc1)C(=O)c1csnn1 12871733 OLYNHZOFRBNLRE-NRFANRHFSA-N 435.553 3.766 0 40 IHAB Cc1cccc(-c2nn(CN(Cc3ccccc3)[C@@H]3CCS(=O)(=O)C3)c(=S)n2C)c1 12878678 FHAFUDRBFYGNLH-HXUWFJFHSA-N 442.610 3.573 0 40 IHAB COc1cccc(NC(=O)[C@@H](CCSC)NC(=O)N2CC(O)=Nc3ccccc32)c1 13552229 LCHYXXAEILQZNX-QGZVFWFLSA-N 428.514 3.573 0 40 IHAB O=C(C[C@](O)(c1nc2ccccc2s1)C(F)(F)F)Nc1cccc(C(=O)NC2CC2)c1 14244182 XPILQLQIKVMJNU-FQEVSTJZSA-N 449.454 3.967 0 40 IHAB COc1cccc(COC(=O)/C=C/c2ccc(S(=O)(=O)NCc3ccco3)cc2)c1 14674492 WTANNTBMJJEVHU-FMIVXFBMSA-N 427.478 3.523 0 40 IHAB COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N3[C@@H](C)CCC[C@@H]3C)cc2)cc1F 15020327 BPYBLTSUDGDTGA-HOTGVXAUSA-N 434.533 3.967 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)NCCc2ccc(Cl)cc2)cc1 15390785 OBLVRCSMNIROHH-HXUWFJFHSA-N 434.989 3.941 0 40 IHAB COC(=O)c1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)cc1 15420408 YVLHKBIMBGWNNU-UHFFFAOYSA-N 446.431 3.805 0 40 IHAB Cc1ccc(Cl)cc1NC(=O)CN1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 15545952 BDCZCGVSPWVMRE-NRFANRHFSA-N 427.932 3.867 0 40 IHAB O=C1c2cccc3c(N4CCNCC4)ccc(c23)C(=O)N1c1cccc(Br)c1 16386219 NAHWVLCDLQLIPX-UHFFFAOYSA-N 436.309 3.813 0 40 IHAB O=C([C@H](Sc1nc2sc3c(c2c(=O)[nH]1)CCCC3)c1ccccc1)N1CCOCC1 17542710 DSMGMLIQCNGTOX-GOSISDBHSA-N 441.578 3.556 0 40 IHAB Cc1ccc(C2(C(=O)N3CCC(c4cc(C(F)(F)F)n5ncnc5n4)CC3)CC2)cc1 19136818 OPQTUWSKFCYZOM-UHFFFAOYSA-N 429.446 3.889 0 40 IHAB COc1cccc(-c2cccc(C[C@H]3CN(C(=O)c4cccc(F)c4)CCNC3=O)c2)c1 19566687 MBZNWZSFLXJKIK-QFIPXVFZSA-N 432.495 3.932 0 40 IHAB CN(C)C(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)c2cnccn2)C1 19579479 DSMRDZGQRPZZIF-XMMPIXPASA-N 434.565 3.758 0 40 IHAB Cc1cc(S(=O)(=O)N2CCC[C@H]2c2ccc(-c3cccc(C(N)=O)c3)cn2)ccc1F 19688992 HARLLHRXFSCRHL-QFIPXVFZSA-N 439.512 3.821 0 40 IHAB COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2CCCCN2C(=O)CCn2nccc2C)cc1 19694325 DBSQYYSCYONVLN-QFIPXVFZSA-N 448.571 3.867 0 40 IHAB CN1CCN(C(=S)Sc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)CC1 19707146 NOLBQRHSCDLQPU-UHFFFAOYSA-N 437.598 3.983 0 40 IHAB CN(C(=O)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1)C1CCCCC1 20458344 GOVWHXRPXNUBPX-UHFFFAOYSA-N 430.973 3.812 0 40 IHAB CCCn1cnc2nc(CSc3ccccc3NC(=O)c3ccc(OC)cc3)cc(=O)n21 21797405 YUJPYZYSPOWOKV-UHFFFAOYSA-N 449.536 3.854 0 40 IHAB O=C(CSc1nnc(NCCc2cccs2)s1)N[C@@H]1CCOc2ccccc21 22019957 KVHSVRRWYWNXFI-OAHLLOKOSA-N 432.596 3.986 0 40 IHAB CC(C)n1ncc2cc(C(=O)N(C)CC(=O)Nc3ccc(OC(F)(F)F)cc3)cnc21 24832546 DOQRPJHKOWJZKU-UHFFFAOYSA-N 435.406 3.622 0 40 IHAB COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)N2CCC[C@@H]2c2ccc(OC)c(OC)c2)cc1 25613406 NKJLVPQYPYSSHE-UBEZNDKJSA-N 438.524 3.594 0 40 IHAB CC(C)(C)OC(=O)N1CCc2nc(NC(=O)c3cc(Br)c[nH]3)sc2C1 29570537 YMMMCVOOPLXBQW-UHFFFAOYSA-N 427.324 3.779 0 40 IHAB CCOc1ccc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 31714519 QQBBWCJLPRPZKK-GOSISDBHSA-N 430.570 3.505 0 40 IHAB CC[C@H](C)[C@H](C(=O)OCc1nc(-c2ccc(F)cc2)no1)N1C(=O)c2ccccc2C1=O 32672068 JBLVBDDEGYYHOH-ORAYPTAESA-N 437.427 3.630 0 40 IHAB CNC(=O)CN1CCN(c2nc(/C=C/c3ccccc3)nc3sc4c(c23)CCCC4)CC1 32735920 FNFPQXYSUCNSJE-VAWYXSNFSA-N 447.608 3.609 0 40 IHAB O=C(Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)c1cccc(I)c1 36396758 SCPYMDWLAHSQPM-INIZCTEOSA-N 436.249 3.661 0 40 IHAB COc1ccc(-c2noc(Cn3ccn4nc(-c5ccccc5C)cc4c3=O)n2)cc1OC 38652025 SFMGHHVZBVMXEF-UHFFFAOYSA-N 443.463 3.587 0 40 IHAB COc1ccc2c(C)c(CCC(=O)N(C)Cc3cccc(OC)c3OC)c(=O)oc2c1 40013770 CVGQMHFJPAFXRR-UHFFFAOYSA-N 425.481 3.718 0 40 IHAB O=C(NCc1cccnc1-n1ccnc1)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1 40063332 MFLZYKWALMKZCL-NRFANRHFSA-N 439.519 3.589 0 40 IHAB COC(=O)CCCCCNC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(Br)cc1 40268611 ATGWAHWFXGRSNS-LJQANCHMSA-N 449.349 3.563 0 40 IHAB COc1ccc(C)cc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(OC)c(OC)c1 40484480 CKYRMWUCMLKUAR-NRFANRHFSA-N 435.484 3.540 0 40 IHAB CC(C)C(=O)Nc1cccc(C(=O)OCc2cc(=O)n3c4c(sc3n2)CCCC4)c1 41085937 QAQCAEWNRSIREG-UHFFFAOYSA-N 425.510 3.586 0 40 IHAB CCNC(=O)COc1ccc([C@H]2[C@@H](Oc3ccccc3)C(=O)N2CCC(C)C)cc1OC 48311588 QIRYTFGFDBOMRA-BJKOFHAPSA-N 440.540 3.587 0 40 IHAB COCCCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3ccc(OC)cc3)c2c1=O 48989120 SYQPXOUNICLJON-UHFFFAOYSA-N 446.507 3.549 0 40 IHAB Cc1ccc(NC(=O)c2cn(CC(=O)Nc3ccccc3)c3nc(C)ccc3c2=O)cc1 49002033 VXBMROINJWGJFB-UHFFFAOYSA-N 426.476 3.904 0 40 IHAB Cc1cc(-n2c(=O)c3sccc3n(CC(=O)Nc3c(C)cccc3C)c2=O)ccc1F 57494446 DFIMVVGTNWEINR-UHFFFAOYSA-N 437.496 3.917 0 40 IHAB CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)N3CCN(Cc4nonc4C)CC3)ccc21 57986880 PUYXNCIFLZCOPG-GOSISDBHSA-N 446.555 3.651 0 40 IHAB COCCNC(=O)c1sc2ccccc2c1C[C@H]1CCCCN1C(=O)c1ccccn1 72370430 VZZISWQQRQJCMV-QGZVFWFLSA-N 437.565 3.910 0 40 IHAB COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2nnc(C3CC3)s2)C12CCCCC2 72401850 OOPLARIIEJRORT-SFHVURJKSA-N 440.569 3.943 0 40 IHAB Cn1c(=O)c2sccc2n2c(CN3CCSc4ccc(C(F)(F)F)cc43)nnc12 79103647 IOXOKAWJDBRSCZ-UHFFFAOYSA-N 437.472 3.774 0 40 IHAB COc1ccc(/C=C/C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)cc1 89438564 GRNFIKGEXUEWGE-MDWZMJQESA-N 430.526 3.530 0 40 IHAB COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)COc2ccccc2OC)c1 89481809 FGHMWIVBMIVQNG-UHFFFAOYSA-N 442.493 3.522 0 40 IHAB COc1cccc(O[C@@H](C)C(=O)N(C)Cc2nc(-c3cccc(Br)c3)no2)c1 95482342 JNOXEXJSLYWJOE-ZDUSSCGKSA-N 446.301 3.934 0 40 IHAB COC(=O)C[C@@H](c1c(O)n[nH]c1Cc1ccccc1)c1coc2ccc(OC)cc2c1=O 96115732 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Cc1c(Cl)cccc1NC(=O)CN1C(=O)N[C@@H](c2cccc(Cl)c2)C2=C1COC2=O 49403036 AVYGJPYCLJTIRW-IBGZPJMESA-N 446.290 3.818 0 40 IHAB O=C(CCc1nc2ccccc2n1-c1ccccc1)NC1CCN(C(=O)c2ccoc2)CC1 59333468 QQQZHTMTVYYTBQ-UHFFFAOYSA-N 442.519 3.972 0 40 IHAB Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)N(C)C3CCCCC3)c2=O)c1C 67218408 OCZUMAOFEZJQQR-UHFFFAOYSA-N 425.554 3.622 0 40 IHAB O=C(O)[C@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1cccc2ccccc12 71980623 OTACSUZBHYTIQC-HSZRJFAPSA-N 430.504 3.758 0 40 IHAB Cc1ccc2cc(CNc3ccc(N4CCN(c5ncccn5)CC4)cc3)c(=O)[nH]c2c1C 72396134 SOLJLLAKBPMUSJ-UHFFFAOYSA-N 440.551 3.874 0 40 IHAB CC(C)c1ocnc1C(=O)Nc1ncc(Br)cc1I 84622425 CBHFLUGDGGXQHC-UHFFFAOYSA-N 436.047 3.812 0 40 IHAB COc1ccc([C@@H](C)NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1Cn1cccn1 84647833 DIQNDMYLRJGJMK-JPYJTQIMSA-N 435.524 3.989 0 40 IHAB COc1cccc(/C=C/C(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)c1OC 89471464 BDIXTJOQPOOBNQ-BUHFOSPRSA-N 444.553 3.920 0 40 IHAB CC(C)c1sc(Cl)nc1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 95477554 PHNQIQBJUGLYCL-UHFFFAOYSA-N 448.397 3.720 0 40 IHAB Cc1cc(Cl)c(NC(=O)[C@H]2CCCCN2C(=O)c2ccccc2)cc1OCC(=O)O 95989674 QZJWFLYDMAYMLH-GOSISDBHSA-N 430.888 3.745 0 40 IHAB O=S(=O)(NCCn1nc(-c2ccccn2)cc1C1CC1)c1ccc(C(F)(F)F)cc1 96121749 BFOOLDVKMCFXKB-UHFFFAOYSA-N 436.459 3.820 0 40 IHAB COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)N[C@H](C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 100119618 GQKYRYULAUMKPA-SZMVWBNQSA-N 425.529 3.928 0 40 IHAB C[C@H](c1ccccc1)N1C[C@H](C(=O)OCC(=O)Nc2cccc(C(F)(F)F)c2)CC1=O 139010686 LTXOXKLJQDEEFS-GDBMZVCRSA-N 434.414 3.797 0 40 IHAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NS(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1 219225156 PXGRYACJHHVCFY-LJQANCHMSA-N 444.553 3.711 0 40 IHAB O=C(CCc1ccc2c(c1)OCCO2)NCc1nc(-c2cccc(Br)c2)no1 222647114 DUBNHHUMDXCADS-UHFFFAOYSA-N 444.285 3.519 0 40 IHAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc2c(c1)OCCO2 222899673 UEUNOALUBMLJPG-KRWDZBQOSA-N 442.531 3.862 0 40 IHAB O=C(NCc1nc(-c2cccc(Br)c2)no1)C1(c2ccccc2)CCOCC1 223131623 FBEXOSREXYLUSS-UHFFFAOYSA-N 442.313 3.864 0 40 IHAB COc1cc(C)c([C@@H](C)NC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1C(C)C 223340052 WLNGKQGWEGTEBE-ZHRRBRCNSA-N 446.569 3.531 0 40 IHAB COc1ccc(S(=O)(=O)N(C)Cc2ccccc2Cl)cc1C(=O)N1CCCCC1 223873030 ZXEBYSRLMCMBQR-UHFFFAOYSA-N 436.961 3.795 0 40 IHAB Cc1ccc(C)c(OCCNC(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)c1 223998862 IQZIGEVKVVYDPQ-UHFFFAOYSA-N 445.368 3.571 0 40 IHAB Cc1cc(Cl)ccc1N(CCCC(=O)NCCOCc1ccccc1)S(C)(=O)=O 224768108 XUWHQFYCTWBHOH-UHFFFAOYSA-N 438.977 3.528 0 40 IHAB Cc1ccc(CCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1 225546867 ZBFGEOGSIRNPPA-IBGZPJMESA-N 434.989 3.798 0 40 IHAB CC(=O)Nc1ccc(C(=O)N2CCN(C)C(=O)[C@@H]2Cc2cccc(-c3cccs3)c2)cc1 257276367 NTJLZHNVQXCAJA-QFIPXVFZSA-N 447.560 3.899 0 40 IHAB COc1ccc(CNC(=O)c2ccccc2NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 408615188 MZZBXIQSUPCGSZ-LJQANCHMSA-N 443.503 3.617 0 40 IHAB CC(C)OC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccccc2)cc1 408662451 DJNMOJVUPSFPSF-UHFFFAOYSA-N 426.469 3.543 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)Cc1nc(-c2ccco2)oc1C 503140956 UFZQGBBCRWPAAA-UHFFFAOYSA-N 431.514 3.762 0 40 IHAB Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)N3CCC[C@H](C(N)=O)C3)c12 523124272 CGEDZSGBDHDOLG-ZDUSSCGKSA-N 432.402 3.555 0 40 IHAB CCC(CC)(CNC(=O)N[C@@H](CC(N)=O)c1ccccc1Cl)C(=O)OC(C)(C)C 1252101350 SQAYUBBAIYHBBN-INIZCTEOSA-N 425.957 3.704 0 40 IHAB O=C([C@@H]1CN(CC2CCOCC2)[C@H]2c3ccccc3OC[C@@H]12)N1CCc2ccccc2C1 1772595545 DYHHWPWCLWDCSF-USZFVNFHSA-N 432.564 3.680 0 40 IHAB Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1NC(=O)[C@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)O 2761061 AERZNFQRFULWTE-QZWWFDLISA-N 438.311 3.672 0 40 IHAB O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1ccnn1Cc1ccc(Cl)cc1Cl 32810419 XEUNVEGSDJMPET-UHFFFAOYSA-N 428.279 3.656 0 40 IHAB O=C1[C@@H]2[C@H](C(=O)N1c1ccc(Cl)cc1)N1CCCN1[C@H]2c1ccc(Br)cc1 102686745 GFGPRNILPLHTFB-OKZBNKHCSA-N 446.732 3.638 0 40 IHAB Cn1cnnc1Sc1ccc(Cl)cc1NC(=O)c1ccc(N2CCCC2=O)cc1 32966498 UEYOZEDVSGRLMQ-UHFFFAOYSA-N 427.917 3.999 0 40 IHAB Cc1ccnc(NC(=O)CCC(=O)N(CC(=O)NCc2ccccc2)c2ccccc2C)c1 8995216 HTCUBABXHZXTHO-UHFFFAOYSA-N 444.535 3.767 0 40 IHAB CC(C)[C@@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)N1CCN(C(=O)C2CC2)CC1 57703615 FANHKTNCCNSQOW-QGZVFWFLSA-N 431.886 3.876 0 40 IHAB O=C(Nc1ccccc1Cl)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 102086637 XSYDMVWXURZHAF-KPINYMTQSA-N 446.934 3.943 0 40 IHAB NC(=O)c1c(NC(=O)CN2CCC(c3nc4ccccc4s3)CC2)sc2c1CCC2 9448876 JEKMZGBZRRSOHE-UHFFFAOYSA-N 440.594 3.764 0 40 IHAB CSc1ccc(S(=O)(=O)N[C@@H](C)CCc2ccccc2)cc1C(=O)N1CCCC1 26115485 ZCMFNAZLCUDRCK-KRWDZBQOSA-N 432.611 3.944 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3N3CCCC3)C2)s1 22694633 MIIJBJCGLIFFDL-QGZVFWFLSA-N 433.599 3.696 0 40 IHAB CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)N1CCc2ccccc2C1 23156606 PRLBKIWQIAUAPB-IBGZPJMESA-N 447.398 3.886 0 40 IHAB CCOc1ncc(C2(O)[C@H]3CCC[C@H]2CN(Cc2ccc(F)c(F)c2)C3)c(OCC)n1 100149701 HGYJWVXSOSAJND-IRXDYDNUSA-N 433.499 3.672 0 40 IHAB COc1ccccc1CN(C)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 22427882 FIUOIKVUSFHLLC-UHFFFAOYSA-N 438.549 3.858 0 40 IHAB O=C(NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1)c1ccc(Cl)c(Cl)c1 1388024 IPXFOOXJGNNMRI-UHFFFAOYSA-N 426.731 3.725 0 40 IHAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N(C)Cc1ccc(Br)cc1 24980256 PCJZOHJGKMNZLJ-MRXNPFEDSA-N 432.362 3.641 0 40 IHAB CN(C)c1ccc(C(=O)NC2(N3C(=O)C[C@@H]3c3ccc4c(c3)OCO4)CCCCC2)cc1 1409722 BZTXRIWCALTEKM-HXUWFJFHSA-N 435.524 3.845 0 40 IHAB NC(=O)CCN(Cc1ccccc1)C(=O)CSc1nccn1-c1cccc(Cl)c1 10380396 IROUVGDUASZUNO-UHFFFAOYSA-N 428.945 3.522 0 40 IHAB COc1ccc(C(=O)CSc2nnc([C@H](C)NC(=O)c3ccccc3Cl)n2C)cc1 107576719 HUJNMOCZELPFBD-ZDUSSCGKSA-N 444.944 3.943 0 40 IHAB Cc1ccc(OCC(=O)Nc2ccc(N3CCN(C(=O)C(F)(F)F)CC3)cc2)c(C)c1 20357056 YPYGSUVBBSFDPS-UHFFFAOYSA-N 435.446 3.532 0 40 IHAB CC(=O)c1cccc(NC(=O)Cn2c(=O)n(-c3ccc(C)c(C)c3)c(=O)c3sccc32)c1 57491207 YFXSNFHKTUQTIY-UHFFFAOYSA-N 447.516 3.672 0 40 IHAB CCN(Cc1ccccc1)C(=O)Cn1c(=O)n(-c2ccccc2C)c(=O)c2sccc21 57489692 UXXOSNDDFQJZIX-UHFFFAOYSA-N 433.533 3.571 0 40 IHAB CCN(CC)CCN1C(=O)c2oc3cc(OC)ccc3c(=O)c2[C@@H]1c1cccc(OC)c1 10233211 OOKXDWHYROBBFG-QFIPXVFZSA-N 436.508 3.697 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCc1ccc(Cl)cc1Cl 408700484 GRIMJPRVOASCLI-UHFFFAOYSA-N 443.352 3.717 0 40 IHAB CC(=O)c1ccc(N([C@H](C)C(=O)N2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 3339111 FNKWUMVYEUIBHG-GOSISDBHSA-N 428.554 3.794 0 40 IHAB CCn1ccc([C@@H](C)NC(=O)c2cc(C3CC3)nc3onc(-c4cnn(CC)c4C)c23)n1 36619085 ZEBGUSYGEUUDJD-CYBMUJFWSA-N 433.516 3.999 0 40 IHAB CCCOc1ccc(C(=O)CCC(=O)O[C@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)cc1 11227685 MMCVPFWGLDYKJK-MRXNPFEDSA-N 440.496 3.967 0 40 IHAB Cc1nc(C(=O)O[C@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)nn1-c1ccc(F)cc1 12783329 AYNWMEPFJTWFNZ-CQSZACIVSA-N 438.459 3.738 0 40 IHAB CC[C@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)NCCC(C)C 12889015 RCLHISSQUHDLQE-RTNRFSENSA-N 445.629 3.728 0 40 IHAB biogenic COc1cc(C(=O)OCC(=O)N2CCc3ccccc32)ccc1OCc1c(C)noc1C 3418523 MTJZQEOOUUWJGH-UHFFFAOYSA-N 436.464 3.625 0 40 IHAB Cc1ccc(SCCC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc1 12999383 BKLSUCPHKHKHNN-QZTJIDSGSA-N 448.610 3.914 0 40 IHAB CCCCC(=O)OCC(=O)N1N=C(c2c[nH]c3ccccc23)[C@@H](O)[C@@H]1c1ccc(OC)cc1 13122286 DULZPFDNCTYXTA-LOSJGSFVSA-N 449.507 3.558 0 40 IHAB CN(CCCC(=O)OCc1cc(-c2ccccc2)on1)S(=O)(=O)c1ccc(F)cc1 18978524 ZREAZTUNWQZTNT-UHFFFAOYSA-N 432.473 3.625 0 40 IHAB CS(=O)(=O)NCCc1ccc(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)cc1 14103606 MVKSXAHYGMYFRC-UHFFFAOYSA-N 441.578 3.917 0 40 IHAB Cc1ccc(N(CCCC(=O)Nc2ccc(Br)cc2)S(C)(=O)=O)cc1 408693914 BIZLDFJMEIOQMM-UHFFFAOYSA-N 425.348 3.942 0 40 IHAB CC(C)[C@H](NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1)c1cccs1 15182961 OAFUEYLVZNXHSK-KRWDZBQOSA-N 445.404 3.693 0 40 IHAB C[C@H](OC(=O)c1ccccc1NS(C)(=O)=O)C(=O)Nc1cc(Cl)ccc1Cl 15151097 SINFFPJLLNCYFK-JTQLQIEISA-N 431.297 3.549 0 40 IHAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@H](C)CC)c(Cl)c2)cc1 408617856 DQUVTRCKUWDYSE-CQSZACIVSA-N 440.949 3.833 0 40 IHAB O=C1CCCN1CCCn1c(SCc2cc(F)cc(F)c2)nc2ccccc2c1=O 67258576 VLEAIVFDSDBBJL-UHFFFAOYSA-N 429.492 3.980 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2F)ccc1C 9129410 GVVBFWMZFUDONV-UHFFFAOYSA-N 434.942 3.619 0 40 IHAB COc1ccc(C2=NO[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)c2ccccc2)c(OC)c1 16020823 NNVCKKWETVELFA-SQJMNOBHSA-N 428.444 3.785 0 40 IHAB CCc1nnc2n1N[C@@H](c1ccc(OC)cc1)[C@H](C(=O)Nc1ccc(Cl)cc1)S2 9197166 XCIIBHDACBHOLU-ZWKOTPCHSA-N 429.933 3.900 0 40 IHAB O=S(=O)(Nc1cccc(I)c1)c1ccc(Br)cc1 16130779 OIRBSIRQPPTSOU-UHFFFAOYSA-N 438.084 3.855 0 40 IHAB Cc1cc(O[C@@H](C)C(=O)N(Cc2ccccc2F)[C@@H]2CCS(=O)(=O)C2)ccc1Cl 16806603 ZCPIHXJQQDDYRO-DOTOQJQBSA-N 439.936 3.771 0 40 IHAB COc1ccccc1OCc1nnc(SCC(=O)NC23CC4CC(CC(C4)C2)C3)n1C 9263923 FGIYGFPMZCKASZ-UHFFFAOYSA-N 442.585 3.580 0 40 IHAB COc1ccc(C2=NC3(CCCCC3)N(CC(=O)Nc3ccc(NC(C)=O)cc3)C2=O)cc1 71768983 TZUQUHCMHWMMBE-UHFFFAOYSA-N 448.523 3.584 0 40 IHAB CCOC(=O)CCCNC(=O)COC(=O)CCN1c2ccccc2Sc2ccccc21 9631390 JMFNOSSZWWMHKG-UHFFFAOYSA-N 442.537 3.682 0 40 IHAB CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)C1=O 9790561 GYSXYUBNROZRJI-GCPRVCMHSA-N 437.584 3.955 0 40 IHAB Cc1cccc2c1ccn2CCNC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 72405931 SEXHBIKUJRSROW-UHFFFAOYSA-N 445.972 3.963 0 40 IHAB O=C(Nc1ccc2c(c1)CCO2)[C@@H]1CCCCN1c1ncnc2c1cnn2-c1ccccc1 79076552 UPDQOIJODDSPCL-NRFANRHFSA-N 440.507 3.748 0 40 IHAB COc1ccc(NC(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)c(OC)c1 408679479 LZQGMHQXUJEIBM-UHFFFAOYSA-N 426.922 3.542 0 40 IHAB CCOc1ccc(S(=O)(=O)NCCc2ccccc2)cc1NC(=O)c1ccccc1F 408553996 AXMAOQKUCADCMC-UHFFFAOYSA-N 442.512 3.998 0 40 IHAB C[C@@H](NC(=O)COC(=O)CCC(=O)Nc1ccc(Br)cc1)c1ccccc1 408665075 SXRPYNOTIXNAOV-CQSZACIVSA-N 433.302 3.588 0 40 IHAB COc1cc(OC)cc(C(=O)Nc2cc(C)ccc2OCc2cc(=O)n3oc(C)cc3n2)c1 35378664 WEPYHCPBRPIXLQ-UHFFFAOYSA-N 449.463 3.753 0 40 IHAB CC(=O)Oc1c(Cl)cc(/C=c2\sc3nc4ccccc4n3c2=O)cc1Br 408917020 KWXREZXFZGZQGA-NVNXTCNLSA-N 449.713 3.798 0 40 IHAB COc1cc(NC(=O)[C@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)c(OC)cc1Cl 408629988 LTXWXJNVFWMSCT-AWEZNQCLSA-N 440.949 3.767 0 40 IHAB CC(=O)N1c2ccc([C@H](O)CN3CCC[C@](O)(c4ccc(F)cc4)CC3)cc2C[C@@H]1C 72343039 JAKBBXJVHXQKSW-XNWMQKSCSA-N 426.532 3.530 0 40 IHAB CCCN(CC(=O)Nc1ccccc1C)C(=O)[C@H]1CC(=O)N(c2ccccc2OCC)C1 31463794 YOAOXHQTCKSPIM-IBGZPJMESA-N 437.540 3.624 0 40 IHAB COc1ccc(S(=O)(=O)N[C@@H]2CCCc3ccccc32)cc1C(=O)N1CCCCC1 30851389 RVWMDIQOTNTQOY-OAQYLSRUSA-N 428.554 3.677 0 40 IHAB CCn1cc(Cn2cc(NC(=O)c3cc(C4CC4)nc4c3c(C3CC3)nn4C)cn2)c(C)n1 36611681 GNTUXWWNSJHUIS-UHFFFAOYSA-N 444.543 3.745 0 40 IHAB CC[C@H](C(=O)NCCCc1ccc(OC)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 219092471 ZDUQFGHFSURTDG-HXUWFJFHSA-N 438.977 3.642 0 40 IHAB CC[C@@H](C(=O)Nc1ccc(Br)cc1)N(c1cccc(OC)c1)S(C)(=O)=O 220611296 CNXHVLYPOKMQBV-KRWDZBQOSA-N 441.347 3.641 0 40 IHAB COc1ccccc1CNC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1 44792023 WQFIDLAVRGYBQY-UHFFFAOYSA-N 438.549 3.824 0 40 IHAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 225570793 YOBUWWVPKRLGTQ-HXUWFJFHSA-N 444.553 3.512 0 40 IHAB CS(=O)(=O)N(CC(=O)NCCc1ccc(Cl)cc1)c1cc(Cl)ccc1Cl 223787227 HGZLYCBLBPCSFH-UHFFFAOYSA-N 435.760 3.772 0 40 IHAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCCc2ccco2)cc1OC 223113805 OUPALPYDXJHNHZ-CYVLTUHYSA-N 440.521 3.878 0 40 IHAB C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 222917868 ZPKLDXBEXUUBNR-SFHVURJKSA-N 448.494 3.831 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)Nc1cccc(SC)c1 224041604 BVKGRIOQMQAUNE-UHFFFAOYSA-N 434.583 3.773 0 40 IHAB COc1ccc(S(=O)(=O)Nc2cc(C(=O)NCc3cccc(OC)c3)ccc2C)cc1 224102631 JTTDUGIBOBDPCR-UHFFFAOYSA-N 440.521 3.743 0 40 IHAB COc1ccc(S(=O)(=O)N(C)c2cc(C(=O)NCc3cccc(F)c3)ccc2C)cc1 224506492 KWBHTALZSIUCIH-UHFFFAOYSA-N 442.512 3.898 0 40 IHAB Cc1c(Cl)cccc1NC(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 222670895 COALRISHBPGIBI-UHFFFAOYSA-N 438.933 3.605 0 40 IHAB O=C(CN1C(=O)N[C@H](c2cccc(Cl)c2)C2=C1COC2=O)Nc1ccccc1Cl 49403021 KAIMLLCZHIYLBS-GOSISDBHSA-N 432.263 3.509 0 40 IHAB CC(C)[C@H](CC(=O)N1CCOCC1)c1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12 96115245 RQOGBGORYYTKEM-KRWDZBQOSA-N 437.492 3.860 0 40 IHAB biogenic S=C(NCc1ccc(CNC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1)N[C@H]1C[C@H]2CC[C@H]1C2 254757123 ZKKNNLRBCRXHKQ-KKFDQILXSA-N 442.698 3.992 0 40 IHAB CCOC[C@]1(CN)[C@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 252514263 BQPFAFUNMDBNGR-VAMGGRTRSA-N 438.387 3.679 0 40 IHAB CCOc1ccc(Cc2cccc([C@@H]3CN(C(=O)c4snnc4CC)CCO3)n2)cc1 257292432 QLLSYCJVTUSTQF-NRFANRHFSA-N 438.553 3.699 0 40 IHAB CC(C)N1C(=O)C[C@H](C(=O)Nc2ccc(F)c(C(N)=O)c2)[C@@H]1c1ccc(Cl)c(F)c1 678943940 FWDLNFUSLSZVSW-LIRRHRJNSA-N 435.858 3.654 0 40 IHAB COc1ccc(/C=C/C(=O)OCC(=O)NCCc2ccc(Cl)cc2Cl)cc1OC 3221470 ZOTZIVCUSXHWLJ-XBXARRHUSA-N 438.307 3.926 0 40 IHAB Cc1cccc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)N3CCC[C@@H](C)C3)c(=O)[nH]c12 12711519 HXMYIZGYVFKGPW-WAIKUNEKSA-N 446.530 3.832 0 40 IHAB CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)c3ccccc3)CC2)cc1 12983250 SBLLWHCUPHKUNN-IBGZPJMESA-N 442.581 3.696 0 40 IHAB COc1cc(C(=O)NCc2ccc(NC(=O)C3CC3)cc2)cc(OC)c1Br 12999428 JEZPPAGXHLOASD-UHFFFAOYSA-N 433.302 3.745 0 40 IHAB Cc1occc1-c1nnc(SCC(=O)c2ccc3c(c2)OCCO3)n1C[C@@H]1CCCO1 13150741 PPPPSIQYHLZXJX-INIZCTEOSA-N 441.509 3.772 0 40 IHAB COc1ccccc1[C@@H]1CC(=O)c2cnc3[nH]n(-c4nc5ccccc5o4)c(=O)c3c2C1 13639647 CYWHXCJKFYJZRH-ZDUSSCGKSA-N 426.432 3.776 0 40 IHAB CN(C(=O)COC(=O)c1ccccc1SCC(=O)NCc1ccco1)C1CCCCC1 14023307 QSNROZLKVKQOBB-UHFFFAOYSA-N 444.553 3.636 0 40 IHAB COc1ccc(C(=O)NC(=S)Nc2ccc(I)cc2F)cc1 17096741 PEKHXSFIJYRHFO-UHFFFAOYSA-N 430.242 3.566 0 40 IHAB COc1ccc(CC(=O)N2CCNC(=O)[C@H](Cc3ccccc3-c3cccs3)C2)cc1 19554278 KKVHRJJLXZDWOY-HXUWFJFHSA-N 434.561 3.784 0 40 IHAB CNc1cc(C2CCN(C(=O)Cc3ccc(OC)c(C)c3)CC2)nc(-c2cccnc2)n1 19571062 BXZMWXJVNXSMJD-UHFFFAOYSA-N 431.540 3.846 0 40 IHAB COc1ccc(-c2cc3nc([C@H](C)NC(=O)Cc4ccc(OC)c(C)c4)nn3cn2)cc1 19571276 PQBJWUJKOICJLO-INIZCTEOSA-N 431.496 3.537 0 40 IHAB CCN1CCN(C(=O)c2cncn2CC)C[C@@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 19578426 ZPUJRCUAZXEUPW-OAQYLSRUSA-N 448.542 3.872 0 40 IHAB CCc1cc(C(=O)N2CCC[C@@H]2c2ccc(C(=O)NCc3ccc(F)cc3)c(C)n2)on1 19711210 DCSREVINEFPPFR-OAQYLSRUSA-N 436.487 3.987 0 40 IHAB CCN(CC)C(=O)c1cnc([C@H]2CCCCN2C(=O)CCn2ncc3ccccc32)nc1C 19765622 VLMIVAVVTJPCLO-JOCHJYFZSA-N 448.571 3.761 0 40 IHAB COc1ccc(CN2C(=O)[C@@H](CC(=O)NCc3ccccc3)n3c2nc2ccccc23)cc1 19819394 XQCJZMDQWZSTFB-HSZRJFAPSA-N 440.503 3.839 0 40 IHAB O=C(N[C@H]1CCCc2ccccc21)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 19931108 SPZKBMNDRCJKFB-BJKOFHAPSA-N 434.561 3.770 0 40 IHAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1C 19932752 FPJCIFHAJZSNCS-OAHLLOKOSA-N 431.539 3.967 0 40 IHAB COc1ccccc1CNC(=O)c1ccc2c(c1)Cc1cccc(c1)CNCCOCCO2 643584414 LVBNAOXCKMHEIB-UHFFFAOYSA-N 446.547 3.715 0 40 IHAB O=C(COc1ccc(F)cc1Cl)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 12525842 OTNBQAHBWJOVLR-UHFFFAOYSA-N 441.893 3.754 0 40 IHAB COc1ccc(NC(=O)C2CCN(CC(=O)Nc3ccc(C)cc3C)CC2)c(OC)c1 9071773 JIMRPYNFTLDCMS-UHFFFAOYSA-N 425.529 3.610 0 40 IHAB O=C(Nc1nnc(SCc2ccccc2F)s1)[C@H]1CC(=O)N(c2ccccc2)C1 12140412 UTIKVTSBWUDCMN-AWEZNQCLSA-N 428.514 3.961 0 40 IHAB O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2oc3ccccc3c21)Nc1cccc(F)c1 12140718 OMEHCHSWGIKECC-UHFFFAOYSA-N 429.407 3.676 0 40 IHAB CC[C@@H](C)NC(=O)CCn1c(=O)c2ccccc2n2c(SCc3ccc(C)cc3)nnc12 33292037 BOCFKTMAXRZFDS-QGZVFWFLSA-N 449.580 3.950 0 40 IHAB CC(C)(C)c1ccc(S(=O)(=O)NCC(=O)NCc2cccnc2-c2ccsc2)cc1 225645749 GBOAGODLYDSWMD-UHFFFAOYSA-N 443.594 3.702 0 40 IHAB O=S(=O)(/C=C/c1ccccc1)N1CCC[C@H](c2nnc(-c3ccc4c(c3)OCO4)o2)C1 42380078 USAZWGMMUNITGE-KSEUIEODSA-N 439.493 3.645 0 40 IHAB CCOc1ccc(NS(=O)(=O)c2n[nH]c(C)c2C(=O)Nc2cccc(CC)c2)cc1 49003383 URYJZODURVLKBR-UHFFFAOYSA-N 428.514 3.732 0 40 IHAB CCOc1ccc(NC(=O)Cn2cccc(-c3nc(-c4ccccc4C)no3)c2=O)cc1 49002547 GUJUGAASVCSUNI-UHFFFAOYSA-N 430.464 3.911 0 40 IHAB Cc1ccc(OCc2nc(C)c(C(=O)N3CCN(C(=O)c4ccccc4)CC3)s2)cc1 21902048 SJUXDABLKVOHCQ-UHFFFAOYSA-N 435.549 3.937 0 40 IHAB CC(=O)N(C)c1ccc(NC(=O)C23C[C@@H]4C[C@@H](C2)CC(n2cnc(Cl)n2)(C4)C3)cc1 100863357 JIVLZUJFCFRLJD-TUKZGULFSA-N 427.936 3.848 0 40 IHAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3c(C)cccc3C)cc2)nc(C)n1 944189 HRWVIMOKLKDGEJ-UHFFFAOYSA-N 440.525 3.529 0 40 IHAB CCOc1cc(C(=O)Nc2c3c(nn2C(C)(C)C)C[S@@](=O)C3)cc(OCC)c1OCC 2494139 LGROEEKDMGPWFX-WJOKGBTCSA-N 449.573 3.849 0 40 IHAB COc1cc(C(=O)OCC(=O)c2cc(C)n(C)c2C)cc(NC(=O)c2ccco2)c1OC 4163751 QTONADJRKVNJPT-UHFFFAOYSA-N 440.452 3.544 0 40 IHAB O=C(NCc1ccc(F)cc1)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(CC2CCCCC2)nn1 8298700 SRMNDNZGEIWKBG-ZTCOLXNVSA-N 439.579 3.567 0 40 IHAB biogenic,in-vitro Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)n1 8442293 HESKGXGVAYFBGP-UHFFFAOYSA-N 430.917 3.729 0 40 IHAB O=C(c1cccc(-n2cccc2)c1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 8706968 CLLLQXZESPDUFX-UHFFFAOYSA-N 445.544 3.777 0 40 IHAB COc1ccc(CCNC(=O)NC[C@@H]2CN(c3ccc(Cl)c(Cl)c3)C(=O)O2)cc1 8839694 AXZDGOOMVXXITM-MRXNPFEDSA-N 438.311 3.869 0 40 IHAB CCCCN1C(=O)C[C@@H](C(=O)OCC(=O)Nc2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1 9120228 SJIKCEDZCRHXOQ-QPPBQGQZSA-N 438.524 3.875 0 40 IHAB COc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2ccc(C)cc2)cc1Cl 9238594 XLOQVJDZDFNLSW-ROUUACIJSA-N 429.933 3.955 0 40 IHAB C[C@@H](Oc1ccccc1F)c1nnc(SCC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)o1 9459879 OJSGYQSRWMRCFG-CYBMUJFWSA-N 444.488 3.888 0 40 IHAB COc1ccc(NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-n2cccc2)cc1 9737822 YKKPLCDZMCKNLF-UHFFFAOYSA-N 435.509 3.806 0 40 IHAB CCCN(CC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1nnc(-c2cccs2)o1 9865230 JVGAUEPUVLSZQF-UHFFFAOYSA-N 439.541 3.776 0 40 IHAB Cc1cc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)ccc1NS(C)(=O)=O 10314351 JWGFBUHHNIUMHH-UHFFFAOYSA-N 437.521 3.549 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)c(C)c1 10446828 VHVLMXNFANRVBE-UHFFFAOYSA-N 438.933 3.538 0 40 IHAB O=C(NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C1CCN(C(=O)C2CC2)CC1 10908206 NSJGSKKCLZFGTQ-UHFFFAOYSA-N 446.526 3.943 0 40 IHAB O=C(Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)OCCOc1ccc(F)cc1 11202425 ZMADSVFPLFVZJR-UHFFFAOYSA-N 447.459 3.930 0 40 IHAB COc1ccc(-n2nnnc2SCC(=O)N(Cc2ccco2)C2=CCCCC2)cc1 11621023 YREICSPMASVVLY-UHFFFAOYSA-N 425.514 3.843 0 40 IHAB CC(C)c1ccc2occ(CC(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)c2c1 12062881 LAUSBESEYKGQJX-UHFFFAOYSA-N 442.537 3.758 0 40 IHAB CC(C)(C)c1cc(C(F)(F)F)n2nc([C@H]3CCCCN3C(=O)Cn3ccnc3)cc2n1 12087916 GLRPCEJXDXHXIT-OAHLLOKOSA-N 434.466 3.996 0 40 IHAB COc1ccccc1O[C@H](C)C(=O)N1CCC(c2nc3ccccc3cc2C(N)=O)CC1 12219666 NDVHJQAZEJIGOE-MRXNPFEDSA-N 433.508 3.516 0 40 IHAB Cc1ccccc1-n1ncc2c(=O)n(CC(=O)Nc3ccccc3C(F)(F)F)cnc21 12237632 NKKHZMIVXMTMRM-UHFFFAOYSA-N 427.386 3.548 0 40 IHAB Cc1cccc2c(=O)[nH]c(CN(Cc3nc4c(C)cccc4c(=O)[nH]3)[C@H](C)C3CC3)nc12 12736669 LRLJDSSDJWVFBU-MRXNPFEDSA-N 429.524 3.577 0 40 IHAB CN(Cc1cccc(Cl)c1)C(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 12783375 ZYJRZLXCUYJCDS-UHFFFAOYSA-N 435.977 3.856 0 40 IHAB CCC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)c1csnn1)c1ccc(F)cc1 12867864 HYJTXLRJOKRMKT-SFHVURJKSA-N 427.505 3.765 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)CCc3ccccc3)CC2)c(C)c1 12997706 BUYWSQZGNGZKRK-HXUWFJFHSA-N 428.598 3.842 0 40 IHAB Cc1ccc(C)c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)c1 13856518 POIQZILOGSTIRI-HNNXBMFYSA-N 445.313 3.601 0 40 IHAB CC[C@@H]1C(=O)N(c2ccc(C)cc2)C(=O)[C@@H]2C(=O)Oc3ccc(Br)cc3[C@@H]12 15305220 JYGFBQOMAKQUPL-BMGDILEWSA-N 428.282 3.976 0 40 IHAB CC(C)CCNC(=O)CSC1=NS(=O)(=O)c2ccccc2N1Cc1ccccc1 15827221 HQCPDGXORWIPIU-UHFFFAOYSA-N 431.583 3.647 0 40 IHAB CCC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)Cc2ccc(Cl)cc2)cc1 17099343 MTWUIUKPRBPUOH-UHFFFAOYSA-N 434.974 3.619 0 40 IHAB COc1ccc(CCNC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)cc1 17155092 AYDTZTAGZQXOQF-UHFFFAOYSA-N 428.485 3.608 0 40 IHAB O=C(CCn1cccn1)N1CCc2nc(-c3ccncc3)nc(Oc3ccc(F)cc3)c2C1 19406136 HUNPVEJWGLHVPC-UHFFFAOYSA-N 444.470 3.642 0 40 IHAB CCOc1ccc(CCC(=O)N2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)cc1 19533100 ZMHTWQFEZHKBHW-YTQUADARSA-N 433.503 3.539 0 40 IHAB CCc1nnsc1C(=O)N1CCC[C@@H](c2nc(N(C)C)ncc2-c2ccc(F)cc2)C1 19694271 KBBQQXIEKSJUOM-OAHLLOKOSA-N 440.548 3.782 0 40 IHAB CN(C)c1ncc(-c2cccc(Cl)c2)c(C2CCN(C(=O)CN3CCCC3)CC2)n1 19695112 RTFGGCPJSFCKSC-UHFFFAOYSA-N 427.980 3.665 0 40 IHAB CNC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(C(=O)Cc2ccccc2)CC1 19700163 DUROSPYDJCMTRC-UHFFFAOYSA-N 427.548 3.889 0 40 IHAB Cc1cccc(CNc2n[nH]c3nc([C@H]4CCN(C(=O)COc5ccccc5)C4)ccc23)n1 19705025 XPCVNWZEAMQPEW-SFHVURJKSA-N 442.523 3.668 0 40 IHAB Cc1nc(CC(=O)N2CCCC[C@H]2c2nc(C)c3c(n2)N(CC(C)C)C(=O)CC3)cs1 19740792 SHXQEWFZQQEDHB-IBGZPJMESA-N 441.601 3.781 0 40 IHAB Cc1nc([C@H]2CCCN(C(=O)CCCc3ccc(F)cc3)C2)ncc1C(=O)N1CCCC1 19762954 UQBZRTZLGNBAJQ-FQEVSTJZSA-N 438.547 3.889 0 40 IHAB CS(=O)(=O)N(CC(=O)N[C@@H]1CCCc2ccccc21)Cc1ccc(Cl)c(Cl)c1 20015426 MJAJQQGFJKRQIE-LJQANCHMSA-N 441.380 3.949 0 40 IHAB COc1cc(C(=O)Nc2nc(CN3CCc4ccccc4C3)cs2)cc(OC)c1OC 21681265 QEVONIDRJRXNND-UHFFFAOYSA-N 439.537 3.980 0 40 IHAB COc1cc(NC(=O)Nc2ccc(Cl)c(N3CCCS3(=O)=O)c2)cc(OC)c1 22506382 YDKDSOXBHSMFKF-UHFFFAOYSA-N 425.894 3.541 0 40 IHAB c1ccc2c(c1)nnn2[C@@H]([C@@H](N1CCCCC1)n1nnc2ccccc21)N1CCCCC1 22937485 SQABCDAIPVEETJ-ZEQRLZLVSA-N 430.560 3.845 0 40 IHAB COc1cc(Br)c(CC(=O)Nc2cc(NC(C)=O)ccc2F)cc1OC 23003450 WCPQXIQFFCYEML-UHFFFAOYSA-N 425.254 3.745 0 40 IHAB C[C@@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)/C=C/c1ccc(C(N)=O)cc1)OCCO3 24749231 DWMJAKDZAHTGKX-RCMYXZNBSA-N 432.520 3.985 0 40 IHAB CCOc1ccc(NC(=O)[C@@H](CCSC)NC(=O)N2CC(O)=Nc3ccccc32)cc1 25107830 UVXGELUMMUWZLQ-GOSISDBHSA-N 442.541 3.963 0 40 IHAB Cc1nc(C2(NC(=O)C3CCN(C(=O)c4ccc(Cl)cc4)CC3)CCCCC2)no1 29058440 HSEOVSICEQVHHQ-UHFFFAOYSA-N 430.936 3.859 0 40 IHAB CN1C[C@H](c2ccc(F)cc2)[C@H](C(=O)c2ccc3c(c2)OCO3)[C@]12C(=O)Nc1ccccc12 35488874 QCQZDWILBXABDO-XZLZDHACSA-N 444.462 3.930 0 40 IHAB COc1ccc(Cl)cc1N([C@H](C)C(=O)N[C@H](C)c1ccc(F)cc1)S(C)(=O)=O 36092725 MPAGMPLWZXCXEA-CHWSQXEVSA-N 428.913 3.520 0 40 IHAB Cc1nc(-n2cccc2)sc1C(=O)Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1 38486340 KRGKQHHONXPNKA-UHFFFAOYSA-N 446.536 3.788 0 40 IHAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N(Cc1nc2ccccc2c(=O)[nH]1)C(C)C 39995521 ADNBZQXGJBMVKH-JOCHJYFZSA-N 430.508 3.624 0 40 IHAB Cc1ccc([C@H](CNC(=O)c2ccc(O[C@@H](C)c3ccccc3)nc2)N2CCOCC2)o1 40132003 SSSUXELEPPSDMZ-UGKGYDQZSA-N 435.524 3.926 0 40 IHAB O=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2ccccc21)Nc1cccc(Cl)c1 44839531 BQDHGRYYVLGCEK-UHFFFAOYSA-N 433.895 3.698 0 40 IHAB Cc1ccc(CN(C)C(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3O2)cc1 44903168 IUQYAEHKNALJAI-HSZRJFAPSA-N 436.533 3.610 0 40 IHAB CCc1ccccc1NC(=O)Cn1nc2c(Sc3ccccc3CC)nccn2c1=O 49009089 IZTCSWVGOUIXEJ-UHFFFAOYSA-N 433.537 3.806 0 40 IHAB COCCN(CC(=O)Nc1cccc(I)c1)[C@H](C)c1ccccc1 58298050 KBRXMBALFHDQCJ-OAHLLOKOSA-N 438.309 3.939 0 40 IHAB COC(=O)C1=C(c2ccc(Cl)cc2)Nc2ncnn2[C@@H]1c1cc(OC)ccc1OC 59227935 AVZWQJNOZXRWTQ-LJQANCHMSA-N 426.860 3.548 0 40 IHAB CCn1c(SCC(=O)NCc2cc3c(cc2C)OCCCO3)nnc1-c1cccs1 64987196 PCOZGNLDNPOFAY-UHFFFAOYSA-N 444.582 3.905 0 40 IHAB Cn1nccc1C(=O)N1CCC2(CC1)C[C@]1(CO2)Nc2cc(Cl)ccc2-n2cccc21 72327351 PZPYBKNWQIZXNV-HSZRJFAPSA-N 437.931 3.580 0 40 IHAB CCCN1CCN(C(=O)c2cnc(C)cn2)[C@@H](Cc2cccc(-c3cccs3)c2)C1=O 72351782 WXRWKEXSQWAOOA-NRFANRHFSA-N 434.565 3.819 0 40 IHAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCCc1nc(C2CC2)cc(C(F)(F)F)n1 77101176 VZUPAWDTQNZMNW-UHFFFAOYSA-N 433.409 3.885 0 40 IHAB COCc1cccc(OCC2(CN3CCN(Cc4nccn4C(F)F)CC3)CCC2)c1 89420362 SLYRNLFWXPGTEU-UHFFFAOYSA-N 434.531 3.792 0 40 IHAB COc1ccc(-c2nc(C)c(C(=O)NC[C@@H](O)Cc3ccc(F)cc3F)s2)cc1OC 95940348 FQDWRCSMAARDKS-INIZCTEOSA-N 448.491 3.747 0 40 IHAB Cc1cc(C)c(C)c(S(=O)(=O)N2CC[C@H](S(=O)(=O)c3ccc(Cl)cc3)C2)c1C 96103504 AMVMKCOCVQYXQI-IBGZPJMESA-N 442.002 3.811 0 40 IHAB Cc1ccc(-n2c(SCC(=O)N3CCCCC3)nc(=O)c(Cc3ccccc3)c2O)cc1 101794068 LTWRUNBQOFGYPI-UHFFFAOYSA-N 449.576 3.942 0 40 IHAB CCOc1ccc(NC(=O)c2cnn3c2NC(C(=O)O)=C[C@H]3c2ccccc2OC)cc1 102810767 SYEBVDGCSYVYCO-IBGZPJMESA-N 434.452 3.526 0 40 IHAB CC[C@@H](C(=O)NCCOc1ccc(C)cc1)N(c1cc(Cl)ccc1C)S(C)(=O)=O 220720757 CYXMNACECALMLQ-IBGZPJMESA-N 438.977 3.697 0 40 IHAB CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1NC(=O)C(C)C 222607635 JQOAGWWOOMDPDL-UHFFFAOYSA-N 435.571 3.506 0 40 IHAB COc1ccc(C(=O)N2CCC(C(=O)N3CCN(c4cccc(C)c4C)CC3)CC2)cc1 223123932 RKLLKVFPPCUTPX-UHFFFAOYSA-N 435.568 3.513 0 40 IHAB COc1cc(OC)c(NC(=O)NCCNc2cc(N3CCCCC3)nc(C)n2)cc1Cl 224138968 FTHOCXDZHYWNNC-UHFFFAOYSA-N 448.955 3.680 0 40 IHAB CC[C@H](C(=O)NCCOc1ccc(C)cc1C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 224313673 WQBICWHWXBWWMK-OAQYLSRUSA-N 432.586 3.660 0 40 IHAB CN(Cc1ccc(OCCCN2CCCC2=O)cc1)C[C@H](O)Cn1ccc2ccccc21 257310623 UFXJRZRMRKJFRY-QHCPKHFHSA-N 435.568 3.526 0 40 IHAB CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2CC3(CCN(C(=O)c4ccc5ncccc5c4)CC3)CO2)O1 257336365 YOBRMBLORUZYHJ-WRALFONMSA-N 438.568 3.955 0 40 IHAB COc1ccc(F)cc1-c1ccc2nc([C@@H]3CCCN(C(=O)c4cc(C)on4)C3)nn2c1 306131059 JVJXJDHQBURTPU-MRXNPFEDSA-N 435.459 3.860 0 40 IHAB COc1cc(OC)cc(-c2nc(S/C(=C\c3cc(OC)ccc3OC)C(=O)O)n[nH]2)c1 408634226 SINMHIGVNFXFQG-ZDLGFXPLSA-N 443.481 3.724 0 40 IHAB Cc1cccc(C)c1NC(=O)COC(=O)CCS(=O)(=O)c1cc(Cl)ccc1Cl 408645372 LGIZMRUVGQGNOM-UHFFFAOYSA-N 444.336 3.956 0 40 IHAB O=C(CN1C(=O)S/C(=C/C=C\c2ccccc2)C1=O)N1CCN(c2ccccc2)CC1 409199128 NWHTZSWGBDHISQ-XPJHHMHCSA-N 433.533 3.628 0 40 IHAB CCn1c(SCC(=O)Nc2nccs2)nnc1-c1cc(Br)ccc1O 409412702 ZFTOLTYEWOMNDW-UHFFFAOYSA-N 440.348 3.620 0 40 IHAB Cc1cc(S(N)(=O)=O)cc(C(=O)Nc2ccc(-c3n[nH]c(-c4ccccc4)n3)cc2)c1C 505461262 QNOKPNVWVBNYOI-UHFFFAOYSA-N 447.520 3.655 0 40 IHAB COc1ccc(C(=O)N2CCN(C(C)=O)C[C@@H]2c2ccccc2)cc1NCc1cccnc1 585261868 CFYGRAMRDYRCAW-XMMPIXPASA-N 444.535 3.748 0 40 IHAB O=C(NCCc1cnn(-c2ccccc2)c1)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 642564595 JDFMMAVBZQHIPB-SFHVURJKSA-N 443.473 3.861 0 40 IHAB CCc1cc2c(=O)c(-c3ccc4c(c3)OCCO4)coc2cc1OC(=O)N1CCOCC1 703827 OWRJUIFKRPETOV-UHFFFAOYSA-N 437.448 3.625 0 40 IHAB CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(OC)cc1OC 903476 INSULMIWRBVRFG-UHFFFAOYSA-N 442.541 3.933 0 40 IHAB O=C(COc1ccccc1F)Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCCC2 1253577 SCPGNWSYGIAROZ-AWEZNQCLSA-N 432.517 3.692 0 40 IHAB Cc1cccc(N(C(=O)c2csnn2)[C@@H](C(=O)NCc2ccccc2)c2ccncc2)c1 1357106 XCRVEDCBEFLAFU-JOCHJYFZSA-N 443.532 3.946 0 40 IHAB COc1cccc(-c2noc([C@@H]3CCCN(S(=O)(=O)c4ccccc4Cl)C3)n2)c1 1360277 DKQCSHSQDSXQNO-OAHLLOKOSA-N 433.917 3.967 0 40 IHAB COc1ccc(NC(=O)Cn2c3c(sc2=O)[C@H]2c4ccccc4OC[C@H]2CS3)cc1 2405002 IFOYPCNDWLAKSH-ORAYPTAESA-N 440.546 3.803 0 40 IHAB CCOC(=O)c1c(NC(=O)[C@H](C)OC(=O)c2ccccc2O)sc2c1CC[C@@H](C)C2 3313018 WXCIUQUTLICDIC-OLZOCXBDSA-N 431.510 3.939 0 40 IHAB Nn1c(SCC(=O)N[C@@H]2CCCc3ccccc32)nnc1-c1ccc(OC(F)F)cc1 3315423 PJVNERFJRXWUKN-QGZVFWFLSA-N 445.495 3.546 0 40 IHAB C[C@H]1CN(C(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccc(F)cc2)C[C@H](C)O1 3370297 BFZGQKWDVSFDEN-GJZGRUSLSA-N 444.507 3.940 0 40 IHAB CC[C@H](CO)NCc1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1 8437921 TUKANFPNYZAMKT-MRXNPFEDSA-N 426.435 3.592 0 40 IHAB COc1cc(NC(=O)CSc2ncnc3c2cnn3Cc2ccccc2)cc(OC)c1 8687242 XJMMEPRMKHXSIP-UHFFFAOYSA-N 435.509 3.623 0 40 IHAB C[C@H](CNC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1)c1ccccc1 8725696 WJSOQHCWCGYSBH-MRXNPFEDSA-N 438.505 3.750 0 40 IHAB COc1cc(OC)cc(C(=O)N2CCN(c3ccc(NC(=O)c4ccccc4)cc3)CC2)c1 8903343 PPBVTCWNTWIEDZ-UHFFFAOYSA-N 445.519 3.919 0 40 IHAB CCc1c(O)nc(SCC(=O)Nc2ccccc2OC)n(-c2ccccc2C)c1=O 9183556 UCLKOBMLOWMIHY-UHFFFAOYSA-N 425.510 3.548 0 40 IHAB Cc1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3N2[C@@H](C)C(=O)NC2CCCC2)c(C)c1 9254332 RYBNBHFZBHMLIX-MBSDFSHPSA-N 448.567 3.907 0 40 IHAB COc1ccc(OC)c([C@@H]2Oc3ccccc3C3=C2[C@H](c2cccnc2)N2N=CNC2=N3)c1 9291932 UEEWQXWRWFFPTO-ZEQRLZLVSA-N 439.475 3.903 0 40 IHAB CCCc1nnc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3)n2C)s1 9302916 IQPSQLNDFXTCFP-UHFFFAOYSA-N 438.966 3.582 0 40 IHAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCCC(c3ccccc3)c3ccccc3)ccc21 9508166 QLZZBWFIDNJCRX-UHFFFAOYSA-N 427.504 3.662 0 40 IHAB O=C(CCC(=O)N1CCC(c2ccccc2)=N1)N1CCC(c2nc3ccccc3o2)CC1 9546676 XMPKBWWVPDLTFE-UHFFFAOYSA-N 430.508 3.951 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(N2CCC(C)CC2)c(C(=O)Nc2nccs2)c1 9587797 ITTXWHYDXPCYJS-UHFFFAOYSA-N 436.603 3.662 0 40 IHAB CCc1ccc(S(=O)(=O)c2nnn3c2nc(NCc2ccco2)c2ccccc23)cc1 9829969 DBQQXXDGYJZOLM-UHFFFAOYSA-N 433.493 3.878 0 40 IHAB COC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2C2CCCC2)cc1 9892376 XSVSXUKFOVBCCQ-OAQYLSRUSA-N 449.507 3.890 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cccc(N2CCCC2=O)c1 9904406 WXLXWTIWVAYJTB-UHFFFAOYSA-N 435.505 3.867 0 40 IHAB O=C(CNc1ccc(SC(F)F)cc1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 10179344 WFFCMKQDHVDDGU-INIZCTEOSA-N 426.510 3.634 0 40 IHAB Cc1ccc(Cl)cc1N([C@@H](C)C(=O)NCCSc1ccccc1)S(C)(=O)=O 10434489 AUCRPCXYSQCSOC-HNNXBMFYSA-N 426.991 3.711 0 40 IHAB COc1ccc2c(c1)CCCN2C(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1 10542451 HOXABPSIUNAZDG-UHFFFAOYSA-N 442.581 3.692 0 40 IHAB O=C(NCC(=O)N1CC=C(c2c[nH]c3ccccc23)CC1)c1ccc(OC(F)F)cc1 11073543 SKRJEWFPGGTYJZ-UHFFFAOYSA-N 425.435 3.815 0 40 IHAB COc1ccc(NC(=O)CSc2ccc(NC(=O)c3cccs3)nn2)c(OC)c1 11739388 JXPPSKLVUIUVJF-UHFFFAOYSA-N 430.511 3.538 0 40 IHAB CCN(CC)Cc1cc(CN2CCc3nc4c(C)csc4c(=O)n3CC2)ccc1OC 12253444 MOHOMSDBQASFGA-UHFFFAOYSA-N 440.613 3.675 0 40 IHAB CCN(CC)Cc1cc(CN2CCc3nc4cc(C5CC5)nn4c(O)c3C2)ccc1OC 12274912 UCWQZSILQNSYEV-UHFFFAOYSA-N 435.572 3.721 0 40 IHAB CCOc1cc(CCC(=O)N2CCC[C@@H](c3nn(C(C)(C)C)c4ncccc34)C2)on1 12275603 SATYDGKASBLYHH-MRXNPFEDSA-N 425.533 3.912 0 40 IHAB COCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cncn1-c1ccccc1 12540166 VZNFDTCIENBMOG-UHFFFAOYSA-N 446.429 3.618 0 40 IHAB O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)OCC(=O)c1ccc(OC(F)F)cc1 12766161 NONDGJURIMNYAU-UHFFFAOYSA-N 444.386 3.688 0 40 IHAB CCOC(=O)c1c(C)[nH]c(C(=O)Nc2cc(Cl)ccc2N2CCN(CC)CC2)c1C 12806241 SQAJMMHKMUQRBA-UHFFFAOYSA-N 432.952 3.856 0 40 IHAB O=C(c1ccc(-c2ccccc2F)o1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 12925890 CGACBFQDUPOZHG-UHFFFAOYSA-N 448.903 3.886 0 40 IHAB CCCN(CC(=O)Nc1sccc1C(=O)OCC)Cc1nnc(-c2cccs2)o1 13009887 LEKPHSBFKOLKDV-UHFFFAOYSA-N 434.543 3.887 0 40 IHAB CCc1cc2c(SCC(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)O)ncnc2s1 13253938 BOVBQUPRTAFWPO-QGZVFWFLSA-N 440.550 3.639 0 40 IHAB CCOC(=O)C1CCN(c2ccc(NCc3cc4cc(OC)ccc4[nH]c3=O)cc2)CC1 13563093 UZIXCZRANDYEDY-UHFFFAOYSA-N 435.524 3.928 0 40 IHAB O=C(c1c(F)cccc1Cl)N1CCN(c2ccc(-c3ccc4c(c3)OCO4)nn2)CC1 13658887 KNQQESQXQFWWPW-UHFFFAOYSA-N 440.862 3.627 0 40 IHAB COCCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)c1ccncc1 13690842 LLKDBCABXLEPHK-UHFFFAOYSA-N 427.526 3.540 0 40 IHAB CC[C@@H](C(=O)NCCSc1ccccc1)N(c1cccc(Cl)c1)S(C)(=O)=O 13712130 QONIOIINEMYXIA-SFHVURJKSA-N 426.991 3.793 0 40 IHAB CCN(CC)CCNC(=O)CCN1C(=O)c2ccccc2[C@@H]1c1c(C)[nH]c2ccccc12 13945796 CYOQDMYDKUUJCU-RUZDIDTESA-N 432.568 3.870 0 40 IHAB O=C(c1ccncc1)N1CCN(C(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)CC1 14141970 HYSJHRORLGEBHO-UHFFFAOYSA-N 437.503 3.533 0 40 IHAB COc1ccc([C@]2(C)NC(=O)N(Cc3ccc(F)cc3Br)C2=O)cc1OC 14282000 IIZDVPBELBIHFZ-IBGZPJMESA-N 437.265 3.573 0 40 IHAB CCOC(=O)c1c(-c2ccccc2)oc2ccc(OC(=O)[C@H]3CCS(=O)(=O)C3)cc12 14671049 JQKWZLYLDJNGNO-HNNXBMFYSA-N 428.462 3.617 0 40 IHAB O=S(=O)(c1ccc(Br)cc1Cl)N1CCN(c2ccccc2F)CC1 16090522 YULSNGLCUASCAZ-UHFFFAOYSA-N 433.730 3.753 0 40 IHAB Cc1nc(-c2cccc(Br)c2)ccc1C(=O)Nc1cccc(S(N)(=O)=O)c1 16200122 NBNKJXIYVWKNDX-UHFFFAOYSA-N 446.326 3.719 0 40 IHAB CCCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCO)cc1OCC 16753391 LPAYPRQVAWJRPF-JOCHJYFZSA-N 437.492 3.908 0 40 IHAB COc1ccc(Cc2nn(CC(=O)Nc3ccc(F)cc3)c(=S)n2-n2cccc2)cc1 16777952 GVAZKPNZDCPWEB-UHFFFAOYSA-N 437.500 3.904 0 40 IHAB COc1cn(CC(=O)Nc2ccc(Br)cc2)c(CN2CCCCCC2)cc1=O 16974461 YWDOPPLSLYFIQK-UHFFFAOYSA-N 448.361 3.634 0 40 IHAB Cc1ccc(-c2nnc(NC(=O)[C@@H]3CCCCN3S(=O)(=O)c3cccs3)o2)cc1C 17053297 DCJPBRKAIYQCOR-INIZCTEOSA-N 446.554 3.597 0 40 IHAB O=C(NCCn1cc(-c2ccncc2)c(C2CC2)n1)c1ccc(Oc2ncccn2)cc1 19403941 QEPYMYWICNRAAS-UHFFFAOYSA-N 426.480 3.835 0 40 IHAB Cc1nc([C@H]2CCCN2C(=O)Cc2ccc3c(c2)CCCO3)nc2c1CC(=O)N2CC(C)C 19744187 UDQHSLHNPXTFMB-OAQYLSRUSA-N 448.567 3.561 0 40 IHAB Cc1cccc(CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3cccc(Cl)c3)C2)c1 19866398 LPCVIEFRSGUOFZ-OAQYLSRUSA-N 449.016 3.939 0 40 IHAB Clc1ccc([C@H]2N=C3NCN(Cc4cccnc4)CN3c3nc4ccccc4n32)cc1 20556168 COOXSEQQDGJHAH-NRFANRHFSA-N 429.915 3.828 0 40 IHAB O=C(c1cc(-c2cccs2)on1)N(Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 21786073 RFWMRSUWGNRTNI-HNNXBMFYSA-N 436.942 3.886 0 40 IHAB CCn1cc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)c(=O)c2cc(Cl)ccc21 22234977 ZNYDNQFFMPEFTN-UHFFFAOYSA-N 444.871 3.731 0 40 IHAB CCOC(=O)C1CCN([C@H](c2cccc(C)c2)c2sc3nc(CC)nn3c2O)CC1 22853499 PROBWPJLHIIKBT-GOSISDBHSA-N 428.558 3.732 0 40 IHAB Cc1cccc(C(C)C)c1NC(=O)Cn1ncc(Br)c(Br)c1=O 23557437 MXZZYNMFOHWJPO-UHFFFAOYSA-N 443.139 3.839 0 40 IHAB COc1ccc2c(COC(=O)CCC(=O)c3ccc(OC)c(OC)c3)cc(=O)oc2c1 24453228 NIHMVEWZHQZTBR-UHFFFAOYSA-N 426.421 3.525 0 40 IHAB CCOc1ccccc1N1CCN(C(=O)[C@H](C)NC(=O)Cc2cccc3ccccc23)CC1 24769539 ZUYAKGUCNSHBGW-FQEVSTJZSA-N 445.563 3.635 0 40 IHAB O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 27633077 PIBGYVASQACJHH-UHFFFAOYSA-N 437.521 3.576 0 40 IHAB COc1ccc(OC)c(S(=O)(=O)Nc2cnn(COc3ccc(F)cc3Cl)c2)c1 28305438 WMDKVALKXSJUHF-UHFFFAOYSA-N 441.868 3.530 0 40 IHAB COc1ccc(-c2nc(C(=O)N3CCC[C@H]3c3nnc4ccccn34)cs2)cc1OC 29077349 HEHFNYZQPQYJQA-INIZCTEOSA-N 435.509 3.847 0 40 IHAB CC(C)n1ncc2c(C(=O)N3C[C@H](C(N)=O)Oc4ccccc43)cc(-c3ccccc3)nc21 32674806 KYOAVLLJGJMWEP-JOCHJYFZSA-N 441.491 3.572 0 40 IHAB Cc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 32718824 XZJSHFHCGINFDL-LJQANCHMSA-N 440.590 3.974 0 40 IHAB COC(=O)c1cccc(-n2c(C)cc(/C=C3/C(=O)N(Cc4ccco4)C(=O)N=C3O)c2C)c1 33783054 MMMJGEQLBURZTQ-UDWIEESQSA-N 447.447 3.976 0 40 IHAB CCN(Cc1ccc(OCc2cccs2)c(OC)c1)[C@H](C)c1nc(N)nc(N(C)C)n1 40017909 VUJHHPYZKFWKPZ-OAHLLOKOSA-N 442.589 3.752 0 40 IHAB Cc1ccc(-c2nn(CN3CCN(C(=O)c4ccoc4C)CC3)c(=O)c3ccccc23)cc1 48354166 CDZDUBXXWBWWEA-UHFFFAOYSA-N 442.519 3.689 0 40 IHAB O=C(Cc1csc(Nc2ccc(Cl)cn2)n1)N1CCN(c2ccccc2F)CC1 49029663 ZVIYPNDDOZJVKC-UHFFFAOYSA-N 431.924 3.966 0 40 IHAB CCOc1cc(C(=O)OCC(=O)N[C@@H](C)c2ccc(OC)cc2)cc(OCC)c1OCC 51356514 HEIAEOKCCALMNT-INIZCTEOSA-N 445.512 3.926 0 40 IHAB 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428.982 3.804 0 40 IHAB COc1ccc(OC)c(NC(=O)COC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)c2ccccc2)c1 408647243 BJOZVDWCEXUWAD-ZCVTWQBDSA-N 437.492 3.731 0 40 IHAB CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)c(Br)cc1O 409231411 JYRHUGNDLKNELW-LZYBPNLTSA-N 431.286 3.955 0 40 IHAB C[C@]1(c2ccccc2)CN(C(=O)N[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CCO1 1565195553 CAGJLDHBFKWYKP-SIKLNZKXSA-N 447.457 3.768 0 40 IHAB COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)O[C@@H](C)C(C)(C)C)cc(Br)c1O 844384 BAOKMQXGGXJCFB-ZUZCIYMTSA-N 441.322 3.769 0 40 IHAB Cc1ccn([C@@H](C)c2nnc(SCC(=O)Nc3ccc(Br)cc3F)o2)n1 2732843 YLAOBCXCBUZZEA-JTQLQIEISA-N 440.298 3.816 0 40 IHAB Cc1ccc(C(=O)NCC(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)s1 3300823 VKJRUSMLDOSKPO-UHFFFAOYSA-N 434.823 3.640 0 40 IHAB CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)sc2c1 3322364 BOKTUQDNUHXLGI-HNNXBMFYSA-N 432.523 3.510 0 40 IHAB O=C(/C=C/c1ccc2c(c1)OCO2)N[C@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 3614842 USPHTITUESVSAY-IWXKUNQBSA-N 444.443 3.653 0 40 IHAB 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38860512 HGBYMDRRXRPDQU-HNNXBMFYSA-N 434.823 3.525 0 40 IHAB CCOc1ccc(CCC(=O)Nc2ccccc2C(=O)NCCCOC)cc1OCC 44843975 NKYIUAVDODPTMA-UHFFFAOYSA-N 428.529 3.822 0 40 IHAB O=C(CN1CCN(c2ccccc2)CC1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 58171351 XCGYWSVAWQPGPB-UHFFFAOYSA-N 449.576 3.875 0 40 IHAB C[C@@H](C(=O)Nc1cccc2ncccc12)N1CCC(c2nc(-c3ccccn3)no2)CC1 58227553 VMKMSGWUHWFQGD-INIZCTEOSA-N 428.496 3.886 0 40 IHAB C[C@H](CC(C)(C)c1ccccc1)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 60111094 PDQDPOZGCDZMIW-UXHICEINSA-N 428.598 3.960 0 40 IHAB C[C@H](Cn1cncn1)c1nc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cs1 62581029 FROQVJMJEONOKW-MRXNPFEDSA-N 431.587 3.770 0 40 IHAB CC(C)c1ccc(NC(=O)Cn2cnc3nc(N4CCC[C@@H](C)C4)sc3c2=O)cc1 67226124 MNTNGEZZTZNTRO-OAHLLOKOSA-N 425.558 3.851 0 40 IHAB O=C(CSc1nc2ccccc2c(=O)n1Cc1ccc2c(c1)OCO2)Nc1ccccc1 67291113 MPORVPXOXLDFCA-UHFFFAOYSA-N 445.500 3.904 0 40 IHAB CCCc1cc(N2CCC([C@@H]3CCCCCN3C(=O)NC(C)C)CC2)n2ncnc2n1 69979668 UMMOZNBKJWYNQA-FQEVSTJZSA-N 427.597 3.656 0 40 IHAB COc1ccc2c(c1)C[C@@H](C(=O)N1CCC(c3ccc(Nc4ncccn4)cn3)CC1)CO2 72374265 DHYPYCKORDJMJC-LJQANCHMSA-N 445.523 3.581 0 40 IHAB C[C@@H]1CCc2noc(C3CCN(C(=O)Cn4nc(C(F)(F)F)c5c4CCC5)CC3)c2C1 72392445 RJJNOSAHOPGBNJ-CYBMUJFWSA-N 436.478 3.910 0 40 IHAB O=S(=O)(c1ccc(Br)cc1)N1CCC(Oc2ncccc2Cl)CC1 96024849 FOOCRPSCPZRLDZ-UHFFFAOYSA-N 431.739 3.730 0 40 IHAB COc1ccc(NC(=O)C2=NO[C@@]3(CCCN(C(=O)Nc4ccc(F)cc4)C3)C2)cc1 96225149 YFCBUGXIMSZQEA-QFIPXVFZSA-N 426.448 3.616 0 40 IHAB Cn1c(CNC(=O)[C@H]2C[C@H]3CC[C@@]2(C)C[C@]32NC(=O)c3ccccc3N2)nc2ccccc21 100116175 PBQGJTUALVLNKU-ASDRPXCFSA-N 443.551 3.568 0 40 IHAB CCOC(=O)[C@@H](C(=O)CSc1nnc(C2CC2)n1-c1ccccc1)c1nc(C)cs1 102814705 YMHBIBKCLVKNCL-KRWDZBQOSA-N 442.566 3.918 0 40 IHAB COc1ccccc1NC(=O)COc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 107671802 LQHIWYZIJIYHQR-UHFFFAOYSA-N 440.521 3.533 0 40 IHAB CC[C@@H](C(=O)N1CCC(Cc2ccccc2)CC1)N(c1ccccc1F)S(C)(=O)=O 220591970 IIGBHUBUWFJCON-NRFANRHFSA-N 432.561 3.852 0 40 IHAB COc1ccc(CN(C(=O)CCc2ccccc2)[C@@H](C)C(=O)NCc2ccncc2)cc1 222994168 JHIXMJGTGVIUTF-FQEVSTJZSA-N 431.536 3.757 0 40 IHAB CC(=O)N1CCCc2cc(S(=O)(=O)Nc3nnc(-c4ccc(Cl)cc4)s3)ccc21 223014802 NKKDYKLCOCUYNI-UHFFFAOYSA-N 448.957 3.958 0 40 IHAB CC[C@H](C(=O)NCCOc1ccccc1C(C)C)N(c1ccccc1F)S(C)(=O)=O 223802628 IBHYMSITUYRQPF-LJQANCHMSA-N 436.549 3.689 0 40 IHAB CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccccc1OC 223921565 NWNUVIYFCMXHMO-AWEZNQCLSA-N 439.339 3.934 0 40 IHAB Cc1ccc(C)c(OCCNC(=O)[C@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)c1 224006209 CEZGPUOTYBTNSW-KRWDZBQOSA-N 438.977 3.615 0 40 IHAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2C[C@@H]2CCCO2)N1c1ccc2c(c1)OCO2 224008162 QEKBBRJTRDFBFL-RTFZILSDSA-N 448.548 3.968 0 40 IHAB CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCc1ccc2c(c1)OCCO2 225450386 YMXATFSUEVIGFH-JOCHJYFZSA-N 438.568 3.767 0 40 IHAB CCCSc1nnc(NC(=O)[C@@H](CC)N(c2ccc(C)cc2)S(C)(=O)=O)s1 225863518 GBERZASHYDBUCR-CQSZACIVSA-N 428.605 3.532 0 40 IHAB CCc1ccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)C(=O)c2ccccc2)cc1 226389709 NSUNHNZFLSVMNS-WVYLNQBTSA-N 426.516 3.906 0 40 IHAB CCc1nc(C)c(C(=O)N2CCO[C@@H](c3cc(Nc4ncc(C)s4)cc(C)n3)C2)o1 257228221 FSWYHRACUAAYBS-QGZVFWFLSA-N 427.530 3.971 0 40 IHAB CCCc1cc(C(=O)N2CCC[C@@H](c3n[nH]cc3C(=O)N(C)C3CCCCC3)C2)no1 257238872 HMWTZBSZJRBDDO-MRXNPFEDSA-N 427.549 3.775 0 40 IHAB CC1(C)[C@H]2C[C@H]3Oc4c(ccc(O)c4C(=O)NCCC4=CCCCC4)[C@H](O)[C@@]3(O)[C@@H]1C2 257282655 OUQPSZIQMZRSKJ-UQJUYAFZSA-N 427.541 3.604 0 40 IHAB O=C(c1cccc(Cn2ccnc2)c1)N1CCC[C@]2(C[C@@H](Oc3ccc(F)cc3)CO2)C1 257341830 ZMCWUOCRRIHMRE-NOZRDPDXSA-N 435.499 3.913 0 40 IHAB Cc1ccc(C)c(N([C@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)c1 260455433 PMGQSKHVBRUGSE-MJGOQNOKSA-N 430.570 3.877 0 40 IHAB CCOc1ccc(N([C@H](CC)C(=O)Nc2ccc(N3CCCC3)cc2)S(C)(=O)=O)cc1 260892690 DFHAIDGXKBWIHY-JOCHJYFZSA-N 445.585 3.869 0 40 IHAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N(C)Cc2ccccc2)C1 408701540 ZLWAMVURYCKRKC-OAQYLSRUSA-N 444.597 3.878 0 40 IHAB Cc1ccc(N([C@H](C)C(=O)NCCSCc2ccccc2Cl)S(C)(=O)=O)cc1 409410798 QDAKPIDSNPAGEK-MRXNPFEDSA-N 441.018 3.853 0 40 IHAB COc1cc(Cl)ccc1NC(=O)COc1ccc(CNC[C@H]2CCCN2C)cc1OC 518779184 ARWYOEGGWVNKPT-GOSISDBHSA-N 447.963 3.559 0 40 IHAB Cc1c(NC(=O)N[C@H](c2ccc(F)cc2)c2cnn(C)c2)nnn1Cc1ccccc1F 549324861 XFXZAXWXHKLBOA-HXUWFJFHSA-N 437.454 3.558 0 40 IHAB OC1(COc2ccc(F)cc2)CCN(Cc2cccc(OCCCn3ccnc3)c2)CC1 585270007 AFRGGSVNKUROAC-UHFFFAOYSA-N 439.531 3.897 0 40 IHAB COc1cc(C(=O)N[C@@H]2CCc3nc(C)nn3C2)ccc1OCc1ccccc1Cl 589145977 GYWLCGPKYQQMQI-QGZVFWFLSA-N 426.904 3.572 0 40 IHAB CCOC(=O)c1cnn2ccc(NC(=O)[C@@H](C)Oc3ccccc3Br)cc12 1536391798 HQYPRRKGUDYWDS-GFCCVEGCSA-N 432.274 3.680 0 40 IHAB COc1ccc(Cn2c(C3CC3)nc3ccc(NC(=O)c4ccncc4)cc3c2=O)cc1 1363121 SZDKYYXZMSTDHI-UHFFFAOYSA-N 426.476 3.978 0 40 IHAB COc1cc(/C=c2\sc3nc(-c4ccc(F)cc4)nn3c2=O)ccc1OCCC(C)C 2374074 HHYYBHAOLCKPGR-MOSHPQCFSA-N 439.512 3.938 0 40 IHAB O=C(NCc1ccco1)c1ccc2c(=O)n(Cc3ccc(Cl)cc3)c(S)nc2c1 3043893 BGBZWEUGRNHMMZ-UHFFFAOYSA-N 425.897 3.910 0 40 IHAB COc1cc(C(=O)NCc2nc(-c3ccc(C(C)(C)C)cc3)no2)cc(OC)c1OC 4998189 RZRAROJUIRQBKY-UHFFFAOYSA-N 425.485 3.990 0 40 IHAB CCNC(=O)O[C@@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4ccc(-c5ccccc5)cc4)n3)CO[C@H]12 5415310 UAQRZKWSBGXCSJ-WBADGQHESA-N 446.507 3.503 0 40 IHAB biogenic,in-vitro CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCc2ccccn2)c1 6191394 RDOWQIIHXLDCSM-UHFFFAOYSA-N 443.956 3.528 0 40 IHAB Cc1nc2sc(C(=O)OCC(=O)c3cc(C)n(Cc4ccco4)c3C)c(C)c2c(=O)[nH]1 8555538 XFJSKBGNDNSATM-UHFFFAOYSA-N 439.493 3.701 0 40 IHAB CCOc1ccccc1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1 9094861 UCBQBXRTLMDTLV-QFIPXVFZSA-N 438.549 3.922 0 40 IHAB CCCCn1c(N)c(N(C)C(=O)c2ccccc2Nc2cccc(C)c2C)c(=O)[nH]c1=O 9465391 NZGOFCYVULWIAE-UHFFFAOYSA-N 435.528 3.556 0 40 IHAB O=C(C[C@@H]1CCS(=O)(=O)C1)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 9533628 QECBBJOWANBYEZ-MAUKXSAKSA-N 430.957 3.894 0 40 IHAB O=C(CCCCn1c(=O)c2ccccc2n(Cc2ccc(F)cc2)c1=O)NC1CCCC1 9616912 UUOHKUWAOPZRGK-UHFFFAOYSA-N 437.515 3.580 0 40 IHAB COc1ccc(NC(=O)c2ccc(CN3C(=O)N[C@@](C)(c4ccccc4)C3=O)cc2)cc1 9646635 FGAIWNCXSZPHOS-VWLOTQADSA-N 429.476 3.915 0 40 IHAB COc1cc(OC)cc(C(=O)Nc2nc(CC(=O)Nc3ccc(C)cc3OC)cs2)c1 9659247 SYNPKDQGRYEQET-UHFFFAOYSA-N 441.509 3.911 0 40 IHAB CCc1ccc(-c2csc(NC(=O)[C@H](C)OC(=O)[C@@H](C)NC(=O)c3ccco3)n2)cc1 9704359 XXUQZVSNXYMHFE-KGLIPLIRSA-N 441.509 3.654 0 40 IHAB CCc1ccc(NC(=O)[C@H]2CN(S(=O)(=O)Cc3ccccc3)c3ccccc3O2)cc1 10009321 GRKMUDLWQPJIDJ-HSZRJFAPSA-N 436.533 3.985 0 40 IHAB Cc1ccc(Cl)c2sc(N3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)nc12 10166347 KCBVKDAACXUNHH-KRWDZBQOSA-N 429.929 3.747 0 40 IHAB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCCc1cn2ccccc2n1 11534525 JRDBMAGEBMMCRQ-IBGZPJMESA-N 433.339 3.754 0 40 IHAB COc1cc2c(cc1OC)CN(C(=O)NCc1ccc(NC(=O)c3ccco3)cc1)CC2 11550301 IOLUUHAOPYXKJP-UHFFFAOYSA-N 435.480 3.817 0 40 IHAB CN(CCc1ccccn1)c1ncc(-c2ccnc(N3CCCC3)n2)c(-c2ccco2)n1 12222427 MQUUWRLGUXMDCM-UHFFFAOYSA-N 427.512 3.868 0 40 IHAB CSc1ccc(Cl)c(C(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)c1 12521771 CBTSNMFFEWSHOL-UHFFFAOYSA-N 433.961 3.609 0 40 IHAB C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)CSc3nc4ccccc4o3)cc2)C1 12712132 ATTGYFMRKAQJCH-HNNXBMFYSA-N 445.566 3.979 0 40 IHAB COc1ccc(C)cc1NC(=O)COC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 12750903 KSWPVCMBIXZYKD-UHFFFAOYSA-N 444.915 3.691 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(Cn3nc(C)n(C4CCCCC4)c3=S)CC2)cc1 13070804 NMDXTOJBTVCSKL-UHFFFAOYSA-N 449.646 3.500 0 40 IHAB C[C@H](NCC(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1)c1ccc(S(N)(=O)=O)cc1 13113109 MRBNTRMQHFRSKC-ZWKOTPCHSA-N 437.565 3.529 0 40 IHAB Cc1ccc(C)c(N2CCN(c3cnn(-c4ccc(C(=O)O)cc4)c(=O)c3Cl)CC2)c1 13363307 IYDFZHCXGNKUMD-UHFFFAOYSA-N 438.915 3.528 0 40 IHAB Cc1csc(NC(=O)CCC(=O)N(CC(=O)NC2CCCCC2)Cc2cccs2)n1 13509591 ACJSLMQXRRDABP-UHFFFAOYSA-N 448.614 3.709 0 40 IHAB COc1ccc(OC)c([C@H]2CC(=O)Nc3nc(SCc4ccc(C)cc4)[nH]c(=O)c32)c1 13567274 HDIUXVJEIXDJMS-QGZVFWFLSA-N 437.521 3.862 0 40 IHAB O=C(N[C@@H]1CCN(Cc2ccccc2)C1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 14043247 VGKNAKJTCNNCDS-HXUWFJFHSA-N 432.490 3.708 0 40 IHAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2cc(C3CC3)nc3onc(C)c23)c1C 14246842 VEABUFINKCJHJY-GFCCVEGCSA-N 425.441 3.568 0 40 IHAB COCCNC(=O)c1cc(-c2ccccc2I)nc2ccccc12 14944258 ASLBYCVDRRGNLE-UHFFFAOYSA-N 432.261 3.883 0 40 IHAB O=C(c1sc2ccccc2c1Cl)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 15431652 NEOXSOIBUFUTCG-UHFFFAOYSA-N 438.933 3.841 0 40 IHAB O=C(Nc1ccccc1Cl)N1CCC2(CC1)NC(=O)N(CCc1ccccc1)C2=O 17178867 YZNCUGAPRIXZMO-UHFFFAOYSA-N 426.904 3.501 0 40 IHAB COc1ccc(-c2nc(C(=O)N3CCN(c4ccccc4OC)CC3)cs2)cc1OC 18943110 GKEDEWWZLMWPTC-UHFFFAOYSA-N 439.537 3.798 0 40 IHAB O=C(Cc1cccs1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CN(CC1CCCCC1)CC2 19343203 VSTDUGGMDAWMSQ-NRFANRHFSA-N 440.613 3.676 0 40 IHAB CCN(CCN(C)C)c1nc(-c2ccccn2)nc2c1CN(Cc1ccc(F)cc1)CC2 19526588 JBMYXBIPHBGUIV-UHFFFAOYSA-N 434.563 3.624 0 40 IHAB CC(=O)c1cccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(F)cc2)c1 20008084 TVLWFESJQVZHQJ-QFIPXVFZSA-N 440.496 3.557 0 40 IHAB C[C@H](OC(=O)CSc1cnc2ccccc2n1)C(=O)Nc1ncc(Cl)cc1Cl 21461603 DXMBFWCGLNEZQV-JTQLQIEISA-N 437.308 3.994 0 40 IHAB CCN1CCN([C@@H](c2ccc(C(=O)OC)cc2)c2c(NC(C)=O)sc(C)c2C)CC1 21670000 WJTKHOYLVOJQGA-NRFANRHFSA-N 429.586 3.837 0 40 IHAB O=C(/C=C/c1ccc(OC(F)F)cc1OC(F)F)Nc1ccc(N2CCOCC2)nc1 22460762 DHKLZYJUXUIZBO-QHHAFSJGSA-N 441.381 3.773 0 40 IHAB CCOc1ccccc1CNC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1 22512885 UEHYLERYZQNSBL-UHFFFAOYSA-N 430.551 3.902 0 40 IHAB COc1ccc([C@@H](c2sc3ncnn3c2O)N2CCN(c3ccccc3F)CC2)cc1 22609472 SZRRRJTUQNXWPK-IBGZPJMESA-N 439.516 3.556 0 40 IHAB COc1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCCCC2)cc1OC(F)F 22753850 UJTFZFWEXZURRD-UHFFFAOYSA-N 446.497 3.785 0 40 IHAB O=S(=O)(c1ccc(N2CCC[C@@H](c3nc4ccccc4s3)C2)nc1)N1CCCC1 23936614 WFTFPEBBQNMQIP-MRXNPFEDSA-N 428.583 3.860 0 40 IHAB CS(=O)(=O)N(CC(=O)Nc1ccc(OCc2ccccc2)cc1)c1ccc(F)cc1 24606004 DUHITGKVWJFUHA-UHFFFAOYSA-N 428.485 3.809 0 40 IHAB CS(=O)(=O)c1ccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)cc1 24632795 BGPVDGGWRJSSMW-UHFFFAOYSA-N 427.379 3.686 0 40 IHAB COc1cccc([C@H](CNC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)N2CCCC2)c1 27340457 JMOAXVCMFYAHIU-QPPBQGQZSA-N 435.568 3.618 0 40 IHAB CN(C)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Cl)cc2Cl)c(Cl)c1 28207948 PKOOHLACNGRDSM-UHFFFAOYSA-N 437.732 3.915 0 40 IHAB Cc1cc2oc(C(=O)NC[C@@H](c3ccccc3)N3CCOCC3)cc(=O)c2cc1Cl 28289808 NUYXVPPSJTXMMI-IBGZPJMESA-N 426.900 3.558 0 40 IHAB CCCC[C@H](CC)CNC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br 29431161 PETTWPGVQQFGDW-ZDUSSCGKSA-N 431.396 3.836 0 40 IHAB Cc1ccc(C)c(N2N=C(C(=O)N(C)CC(=O)Nc3ccccc3Cl)CCC2=O)c1 31417258 QARQGVPZFFIMIL-UHFFFAOYSA-N 426.904 3.537 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)Nc3c(C)c(-c4ccc(OC)cc4)nn32)cc1 32073339 GQKVHKUHSQUQSL-LJQANCHMSA-N 448.479 3.566 0 40 IHAB O=C(COc1cccc(Cl)c1Cl)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 32739519 PXFIQFDBJPEXFL-LBPRGKRZSA-N 434.366 3.650 0 40 IHAB COc1ccc(-c2noc(CN3C[C@@H](C(=O)N4CCCCC4)Oc4ccccc43)n2)cc1 32764703 OGACYHLUHDGPLM-NRFANRHFSA-N 434.496 3.525 0 40 IHAB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@@H](CO)Cc2ccco2)cc1 32803208 RDHWOCQGDUCMFB-SFHVURJKSA-N 431.492 3.722 0 40 IHAB CCOC(=O)c1c(C)oc2ccc(OCC(=O)Nc3cc4c(cc3C(C)=O)OCO4)cc12 32810285 SWXDXKRKLJYVPB-UHFFFAOYSA-N 439.420 3.867 0 40 IHAB CN(CCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)Cc1ccccc1 32841719 FPMQFQGYHQHFAV-OAQYLSRUSA-N 427.976 3.831 0 40 IHAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C(=O)NC[C@@H](c2ccco2)N(C)C)cc1 33024270 OAIHWQJEJUXWOW-IBGZPJMESA-N 445.516 3.561 0 40 IHAB Cc1c(-c2nc(-c3ccccn3)no2)oc2ccc(S(=O)(=O)N3CCSCC3)cc12 35503840 MRBCMLBEWSAVMV-UHFFFAOYSA-N 442.522 3.591 0 40 IHAB CC(C)[C@@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)NCc1ccccn1 36569600 XAOXHPXOXWQZFF-HXUWFJFHSA-N 433.537 3.553 0 40 IHAB O=C([C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)N1CCN(Cc2ccccc2)CC1 36701226 CPSXDLZHVXUVJT-ICSVULDUSA-N 435.612 3.538 0 40 IHAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)OCc1nc(-c3ccccc3)cs1)C2=O 40114572 UJMJVKVWMGVIOJ-IQMFZBJNSA-N 441.553 3.990 0 40 IHAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)[C@H](C)SCc2ccccc2)CC1 40144053 CLZJJFKAXQTWHG-FQEVSTJZSA-N 425.598 3.708 0 40 IHAB COC(=O)c1ccc(C(=O)N[C@H](C(=O)NCc2ccc(Cl)cc2)c2ccccc2)cc1 40148885 UZSOEXMVRVQGJX-NRFANRHFSA-N 436.895 3.914 0 40 IHAB CC[C@@H](NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1)c1ccc(C)c(C)c1 44856582 VTKDZXCPJCFAPT-YLJYHZDGSA-N 436.961 3.751 0 40 IHAB Cc1ccc([C@@H]2[C@@H](Oc3ccccc3F)C(=O)N2CCCCN2CCOCC2)cc1C 48251013 WDHUKSGVZAOITP-DNQXCXABSA-N 426.532 3.886 0 40 IHAB COc1ccc(-c2noc(-c3nn(-c4cccc(Br)c4)ccc3=O)n2)cc1 49006407 QEKPYTQUIDKYGH-UHFFFAOYSA-N 425.242 3.721 0 40 IHAB O=C(c1csc(Nc2ncccn2)n1)N1CCN(c2cccc(Cl)c2Cl)CC1 49032237 FAIWTFFYPOLJBW-UHFFFAOYSA-N 435.340 3.946 0 40 IHAB Cc1cc(F)ccc1-n1c(=O)c2sccc2n(CC(=O)Nc2cccc(C)c2C)c1=O 57493569 SJDBLSQNEOVSJR-UHFFFAOYSA-N 437.496 3.917 0 40 IHAB CCN(CC(=O)Nc1ccccc1OC)C(=O)c1sccc1NC(=O)c1ccoc1 58440622 VGIHUMDKBZKDHE-UHFFFAOYSA-N 427.482 3.703 0 40 IHAB COCCOc1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)c2ccc(OC)cc2)cc1 61915242 ZBYKZTJXADJGIY-HSZRJFAPSA-N 434.492 3.565 0 40 IHAB O=C(NCc1nc(-c2ccccc2)n[nH]1)Nc1cccc(S(=O)(=O)C2CCCC2)c1 65589248 QLRVZFFGLVRVKV-UHFFFAOYSA-N 425.514 3.510 0 40 IHAB Cc1cc2nc(SCC(=O)NCCc3ccc(Cl)cc3)n(CC(C)C)c(=O)c2[nH]1 67237775 JMOIGASOVRZXBN-UHFFFAOYSA-N 432.977 3.793 0 40 IHAB CC(C)CCc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC(CO)CC3)cc2)cc1 72312972 URJDTUQSXWOFLV-UHFFFAOYSA-N 444.597 3.921 0 40 IHAB COCc1nn2c(c1-c1ccccc1)NC(=O)[C@H]2CC(=O)Nc1cc(Cl)ccc1OC 72453388 PKOURIHOHYTXAB-QGZVFWFLSA-N 440.887 3.881 0 40 IHAB COc1ccc(OC)c(-c2cc(C(=O)NCC[C@H](O)c3cc4ccccc4o3)n(C)n2)c1 96097271 LPDIFVDNXKTZGR-FQEVSTJZSA-N 435.480 3.704 0 40 IHAB Cc1cc(C)cc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1 102086869 ASTRUYYSBFGSSS-UNVPUSBVSA-N 440.543 3.906 0 40 IHAB NC(=S)[C@@H]1[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218244824 DMMXXYQEZOSGJJ-KFWWJZLASA-N 430.776 3.945 0 40 IHAB COc1ccc(OC)c(CNC(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)c1 224098910 BBWJMQGDTNPGPP-UHFFFAOYSA-N 440.521 3.743 0 40 IHAB CCCc1ccc(OCCNC(=O)CCCN(c2cccc(C)c2C)S(C)(=O)=O)cc1 224744290 LARZYJAAZPGBDU-UHFFFAOYSA-N 446.613 3.997 0 40 IHAB CCOC(=O)c1cccc(N(CC)S(=O)(=O)c2ccc(OC)c(Br)c2)c1 224886924 HKUPTEMYBNCQBN-UHFFFAOYSA-N 442.331 3.850 0 40 IHAB Cc1cc(Nc2cccc(F)c2)cc([C@@H]2CCCN(S(=O)(=O)c3cnn(C)c3C)C2)n1 257208434 BMDTVFVJJOQKCB-QGZVFWFLSA-N 443.548 3.883 0 40 IHAB CCn1cc(S(=O)(=O)N2CC[C@H](c3cc(Nc4ccc(F)cc4)cc(C)n3)C2)c(C)n1 257224583 FCKOXJJFEBHTNQ-KRWDZBQOSA-N 443.548 3.976 0 40 IHAB Cc1cc(Nc2nc(C)cc(C)n2)cc([C@H]2CN(C(=O)COc3ccccc3)CCO2)n1 257303956 SJMCPZJZAXAXDN-JOCHJYFZSA-N 433.512 3.519 0 40 IHAB Cc1cc(OC[C@]2(CC(=O)N3CCN(C)CC3)CCCN(CC3CC3)C2)ccc1Cl 257343427 ZSZPFOPVFMEFHK-DEOSSOPVSA-N 434.024 3.684 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC3CCCCC3)C2)cc1Cl 408625323 RYVBCLFPPLSEQM-HNNXBMFYSA-N 428.982 3.588 0 40 IHAB C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(C(=O)OCC(=O)N[C@H](C)c4ccccc4)cc3)C(=O)[C@H]2C1 408658225 IHTNKABJYUNEFX-YAKVFXAGSA-N 448.519 3.646 0 40 IHAB Cc1ccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3cc(F)ccc3C)n2C)cc1 409125979 GJMZGBCLTIRBTH-OAHLLOKOSA-N 441.532 3.793 0 40 IHAB CCN(CC)C(=O)CN1C(=O)S/C(=C\c2ccc(OC)c3cccc(OC)c23)C1=O 409204332 FRDUTCNFIZBVDE-PDGQHHTCSA-N 428.510 3.762 0 40 IHAB CC(C)CC(=O)N[C@H](C(=O)N1CCC2(CC1)C[C@@H]2C(=O)N1CCCCC1)c1ccccc1 540034217 QZTCUICCBSIZEX-GGAORHGYSA-N 439.600 3.531 0 40 IHAB CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)N1CC(C)(C)[C@H]1c1ccccc1 619294824 VJWDMTZZQGDXIJ-OAQYLSRUSA-N 429.586 3.807 0 40 IHAB Cc1cc(OC[C@@]2(O)CCCN(C(=O)CCc3cnn(C)c3C)CC2)cc(C)c1Cl 2037912523 NMOIRLVCKMHVAT-HSZRJFAPSA-N 433.980 3.754 0 40 IHAB COC(=O)CN1CN(c2ccccc2)C2(CCN(Cc3cccc4ccccc34)CC2)C1=O 1549589 AQMPIDSGLFVVPL-UHFFFAOYSA-N 443.547 3.654 0 40 IHAB CCN(CC)C(=S)SCC(=O)Nc1ncc2c(n1)C[C@H](c1ccccc1)CC2=O 2440952 BNYCRLWHCMXQEU-HNNXBMFYSA-N 428.583 3.688 0 40 IHAB COc1ccc(/N=c2/scc(-c3ccc(OC)cc3)n2CCN2CCOCC2)cc1 2475299 VVSWWFIFVKDIQM-WCWDXBQESA-N 425.554 3.798 0 40 IHAB COCCn1c(SCC(=O)Nc2cccc(OC)c2)nc2c(oc3ccccc32)c1=O 2713528 VSQTUXJIRXYBMI-UHFFFAOYSA-N 439.493 3.529 0 40 IHAB COc1cc(-c2nnc(SCC(=O)N3CCCc4ccccc43)o2)cc(OC)c1OC 2720409 NNXXHJKYGRVJMP-UHFFFAOYSA-N 441.509 3.834 0 40 IHAB COc1ccc(OCCC(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1 3313292 OZPSZPOQMNXCFL-UHFFFAOYSA-N 432.782 3.713 0 40 IHAB CC(C)C(=O)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1cccc2cccnc12 3654233 XUAJJJWGRZIXHJ-UHFFFAOYSA-N 428.491 3.781 0 40 IHAB CC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 4712971 OTNAVSJAMNLXPF-XTKXXMFCSA-N 432.557 3.744 0 40 IHAB Cc1ccc(NC(=O)CSc2nnc3[nH]c(=O)cc(-c4ccccc4)n23)cc1Cl 8601566 IPPZZYWUDNHDSY-UHFFFAOYSA-N 425.901 3.777 0 40 IHAB O=C(OCc1cn2cc(Cl)ccc2n1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 9011242 WBQYHEMVRKKENM-UHFFFAOYSA-N 435.823 3.734 0 40 IHAB O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 9056854 PRQFCFDYYWGCGJ-UHFFFAOYSA-N 435.505 3.786 0 40 IHAB COc1ccccc1-n1c(S[C@@H](C)C(=O)NC[C@@H]2CCCO2)nnc1-c1cccs1 9111771 HKMABODFTFHNKH-GJZGRUSLSA-N 444.582 3.780 0 40 IHAB O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]2[C@@H]2CCCN21 9292098 YMMCMGWBBRTWFX-OKYOBFRVSA-N 429.303 3.829 0 40 IHAB CCn1c(CC(=O)Nc2ccccc2)nnc1S[C@H](C)C(=O)Nc1nc(C)c(C)s1 9303414 UBETXHQNPQAHJM-CQSZACIVSA-N 444.586 3.672 0 40 IHAB Nc1nc(COC(=O)/C=C/c2cc(Br)ccc2F)nc(Nc2ccccc2)n1 9353428 YVANTMKHHGFHPK-RMKNXTFCSA-N 444.264 3.856 0 40 IHAB Cc1cc(O[C@H](C)C(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)cc(C)c1Cl 9457206 VPAWLTJPTXDTBZ-MJGOQNOKSA-N 435.973 3.940 0 40 IHAB Cc1ccc(-n2ncc3c(=O)n(NC(=O)c4cc(Cl)ccc4Cl)cnc32)cc1C 9563080 GHANQNBKASIKJP-UHFFFAOYSA-N 428.279 3.890 0 40 IHAB CCOC(=O)c1ccc(Nc2nc(Nc3cccc(C)c3)nc(N3CCOCC3)n2)cc1 9708855 RVHJVYPCCRQFSY-UHFFFAOYSA-N 434.500 3.681 0 40 IHAB O=C(Nc1ccnn1Cc1ccc(Cl)cc1)c1cccc(S(=O)(=O)N2CCCC2)c1 9782770 VGMLKTCGBILGQO-UHFFFAOYSA-N 444.944 3.622 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(OC(C)C)cc3)C2)cc1 10008516 HTMYFRGEKKJDIO-KRWDZBQOSA-N 432.542 3.522 0 40 IHAB Cc1cc(C)c(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(Br)cc2)c(C)c1 10041189 SIURPQLJNBSWDA-CQSZACIVSA-N 425.348 3.680 0 40 IHAB NC(=O)N1CC=C(c2ccc(OCC(=O)Nc3ccc(Br)cc3)cc2)CC1 11092095 OQAJLKOBJITKMH-UHFFFAOYSA-N 430.302 3.634 0 40 IHAB COc1cccc(N2C[C@@H](c3nc4ccccc4n3CC(=O)N3CCC(C)CC3)CC2=O)c1 12062065 JCLHCYSMIYRTRR-IBGZPJMESA-N 446.551 3.824 0 40 IHAB O=C1N[C@@]2(COC3(CCN(C(=O)C4(c5ccccc5)CCCC4)CC3)C2)Nc2ccccc21 12085437 XHPOVWDAXAROGE-MHZLTWQESA-N 445.563 3.832 0 40 IHAB C[C@@H](Oc1cccc(F)c1)C(=O)N1CCC[C@@H](c2nc3ccc(F)cc3cc2C(N)=O)C1 12219697 OZEOIZJVJKYTAH-HUUCEWRRSA-N 439.462 3.785 0 40 IHAB COC(=O)C(=O)Nc1nc(-c2ccc3c(c2)CCCN3C(=O)c2cccc(F)c2)cs1 12326663 KBKUSFUXQBSJFH-UHFFFAOYSA-N 439.468 3.654 0 40 IHAB CCOC(=O)C1=C(CSc2nc(-c3cccs3)nc3ccccc23)NC(=O)N[C@@H]1C 12773880 NHHIGVBJNNJZFL-GFCCVEGCSA-N 440.550 3.969 0 40 IHAB COCCCN1CC(=O)N2C[C@H](c3ccc(C)cc3)c3c([nH]c4ccccc34)[C@@]2(C)C1=O 12873464 MPBMZTAOQVLGGE-IBVKSMDESA-N 431.536 3.544 0 40 IHAB biogenic COc1cc(NC(=O)CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)c(OC)cc1Cl 12907019 MAJLDAMEPJBRNB-OAHLLOKOSA-N 431.920 3.646 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)CN1C(=O)NC2(CCC(C(C)(C)CC)CC2)C1=O 12987857 FUEFPIFLZQTTMC-UHFFFAOYSA-N 443.544 3.719 0 40 IHAB COC(=O)COc1c(Cl)cc(/C=C2\N=C(c3ccccc3Cl)OC2=O)cc1OC 13564644 UGVAYQXDNHBNNO-NVNXTCNLSA-N 436.247 3.898 0 40 IHAB CCNc1ccc(S(=O)(=O)N(CC)CC)cc1NCc1nc(-c2ccsc2)no1 14704419 KXVZEKDDZTZCTO-UHFFFAOYSA-N 435.575 3.873 0 40 IHAB Cc1cccc(OCCSc2nnc(Cc3c(C)nc4c(C)cccn4c3=O)n2C)c1 15859250 BRIINCCRSJAQIJ-UHFFFAOYSA-N 435.553 3.510 0 40 IHAB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1cnn(Cc2ccccc2)c1 17862955 MRCGOHFUSXTGCZ-UHFFFAOYSA-N 441.329 3.713 0 40 IHAB Cc1cc(N2CCCC2)ccc1NC(=O)COC(=O)c1[nH]c(C)c(C(=O)OC(C)C)c1C 19109800 XTDXILFVGNLVMQ-UHFFFAOYSA-N 441.528 3.901 0 40 IHAB CNC(=O)[C@@]1(Cc2cccc(-c3ccc(C)cc3)c2)CN(C(=O)c2ccccc2)CCO1 19212729 RBMDQVVAXREYGN-HHHXNRCGSA-N 428.532 3.862 0 40 IHAB O=C(c1ccc(F)c(F)c1)N1CCC[C@H](c2n[nH]cc2-c2ccnc(N3CCCC3)n2)C1 19292795 BHUXTOMYXGXOJD-INIZCTEOSA-N 438.482 3.765 0 40 IHAB CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCCN(C(=O)c2ccccn2)C1 19448855 CJWPEUKJKFQWFB-AREMUKBSSA-N 443.551 3.528 0 40 IHAB CC(C)c1cc(C(=O)N2CCCC[C@H]2c2nc(O)c3c(n2)CN(C2CCCC2)CC3)on1 19452922 PYWHGGVUZHVBMK-FQEVSTJZSA-N 439.560 3.962 0 40 IHAB COc1ccc(CC(=O)N2CCC[C@H]2c2nc(N(C)C)ncc2-c2ccncc2)cc1C 19571147 ZECGTOPCTNAHAG-NRFANRHFSA-N 431.540 3.828 0 40 IHAB Cc1nc([C@H]2CCCN(C(=O)c3n[nH]c4c3CCCC4)C2)nc2c1CCCN2CC1CC1 19706997 ORLMGQUPZGMDSB-SFHVURJKSA-N 434.588 3.569 0 40 IHAB Cc1nc(C2CCN(C(=O)COC(C)C)CC2)nc2c1CCC(=O)N2CC1CCCCC1 19739324 QKVRTXHCTNLGHO-UHFFFAOYSA-N 442.604 3.776 0 40 IHAB COc1cccc(CN2C(=O)CCc3c(C)nc([C@H]4CCCN(C(=O)C(C)C)C4)nc32)c1 19739423 MSKMUEBVOJVLIV-IBGZPJMESA-N 436.556 3.635 0 40 IHAB COc1ccc2c(c1)c(CN1CCC[C@@H](c3nc(C)c4c(n3)N(C)C(=O)CC4)C1)c(C)n2C 19741480 AGQRGBQLHYIHHU-GOSISDBHSA-N 447.583 3.882 0 40 IHAB Cc1ncsc1C(=O)N1CCC(Cc2nn(C)cc2C(=O)Nc2ccc(F)cc2)CC1 19756371 IQLKFJDDJYEJHR-UHFFFAOYSA-N 441.532 3.671 0 40 IHAB O=C(C1CCN(S(=O)(=O)Cc2ccccc2)CC1)N1CCC(Cc2ccccc2)CC1 19867560 KRNQXRMOTCGINZ-UHFFFAOYSA-N 440.609 3.710 0 40 IHAB Cc1ccc(F)cc1NC(=O)COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 20018985 YCKZBKKEXPIWPN-UHFFFAOYSA-N 442.512 3.673 0 40 IHAB Cc1ccc(S(=O)(=O)c2cnc3ccc(F)cc3c2N2CCC3(CC2)OCCO3)cc1 20381353 DRJQILRRCPMNHX-UHFFFAOYSA-N 442.512 3.858 0 40 IHAB COC(=O)CSc1nc2nc(C(C)C)c(-c3ccc(Br)cc3)c(N)n2n1 20676295 LBYVDBIFKKULRL-UHFFFAOYSA-N 436.335 3.525 0 40 IHAB CC(C)C(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)CNC(=O)c2ccc3ccccc3c2)cc1 21252602 BSJNJHZDHHCLKE-KRWDZBQOSA-N 446.503 3.979 0 40 IHAB COc1ccc(-c2csc(CN3CCN(C(=O)COc4ccc(F)cc4)CC3)n2)cc1 21687784 HLTYUADVBDOBOK-UHFFFAOYSA-N 441.528 3.681 0 40 IHAB Cc1ccc(-n2c(SCc3cc(=O)n4c(C)csc4n3)nc3ccccc3c2=O)nc1 23613972 NPUPXEUVWGDZFE-UHFFFAOYSA-N 447.545 3.759 0 40 IHAB COc1ccc(OCCN2CCN(C(=O)Cc3csc(-c4ccccc4)n3)CC2)cc1 23881105 UBACTNWQBYWPDZ-UHFFFAOYSA-N 437.565 3.584 0 40 IHAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(Cc1nnnn1-c1ccccc1)CC2 23983884 AWOXSOVYGWHGEB-HSZRJFAPSA-N 433.537 3.889 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(N3CCCC3)nc2)c1 24258919 HYSDOHAFJRAVMX-UHFFFAOYSA-N 436.965 3.618 0 40 IHAB O=c1c(Cl)c(Cl)cnn1-c1ccc(S(=O)(=O)Nc2cccc3cccnc23)cc1 24373113 SCBSKWKQYWCQTK-UHFFFAOYSA-N 447.303 3.888 0 40 IHAB Cc1cccc(N(Cc2ccccc2)C(=O)CN2CCC[C@H]2C(=O)NCc2ccco2)c1 27142723 FYFBXWNQWZLCMS-DEOSSOPVSA-N 431.536 3.902 0 40 IHAB CC(C)[C@@H](NC(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C)c1cccs1 29788872 OSBKWEMRUUZUNG-GGAORHGYSA-N 425.554 3.951 0 40 IHAB Cc1ccc(NC(=O)CN(C)CC(=O)N2N=C(c3ccco3)C[C@@H]2c2cccs2)cc1 30541307 CYRSEACCMOKZGK-LJQANCHMSA-N 436.537 3.898 0 40 IHAB c1coc(CNc2nnc(SC[C@H]3CSc4nnc(-c5ccncc5)n43)s2)c1 30795737 BPBRINALYKBVNP-GFCCVEGCSA-N 429.556 3.836 0 40 IHAB CCOc1ccccc1-c1nc(Cn2nnc(C(=O)Nc3cccc(F)c3)c2N)c(C)o1 33291710 BDJKAOPQPYJBKT-UHFFFAOYSA-N 436.447 3.662 0 40 IHAB O=C(Nc1nnc(SCc2cc(=O)n3ccccc3n2)s1)Nc1ccccc1F 41086067 HATOQVLUIBDZFU-UHFFFAOYSA-N 428.474 3.621 0 40 IHAB CC(=O)Nc1c(-c2ccccn2)nsc1C(=O)NCc1cccc(Br)c1 49007878 VGBKXOMOMPLWQF-UHFFFAOYSA-N 431.315 3.856 0 40 IHAB O=C(NCCc1ccccc1F)C1CCN(C(=O)Nc2cccc(-n3cccn3)c2)CC1 57861994 DPAZYXPLDMVEHJ-UHFFFAOYSA-N 435.503 3.614 0 40 IHAB Cn1ccnc1-c1sc(NC(=O)C2CCN(c3ncccn3)CC2)nc1-c1ccccc1 71793181 BJTLFIUDLUYDSL-UHFFFAOYSA-N 445.552 3.856 0 40 IHAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)CNC(=O)CC1CCCC1)CC2 72280531 WFTOXFVPHVZBQY-DEOSSOPVSA-N 442.581 3.936 0 40 IHAB O=C(N[C@@H]1CCc2ccc(S(=O)(=O)NCCCN3CCCCCC3)cc21)C1CCCC1 72345807 POQDOKUSCWXPPR-HSZRJFAPSA-N 447.645 3.525 0 40 IHAB Cc1onc(C(=O)N2CCc3nc(-c4cc(F)cc(F)c4)sc3C2)c1Cn1cccn1 72392004 CZRDOLVTSWUASL-UHFFFAOYSA-N 441.463 3.828 0 40 IHAB Cc1cc(-c2snnc2[C@H]2CCCN(C(=O)[C@@H](C)Cn3nc(C)c(C)c3C)C2)on1 72396737 SVAHWZMCUUHCSI-SJCJKPOMSA-N 428.562 3.666 0 40 IHAB O=C(CN1Cc2ccccc2C1=O)N[C@H]1CCCc2c1cnn2Cc1ccc(Cl)cc1 72396974 VFTHXTSPCLRZHZ-NRFANRHFSA-N 434.927 3.734 0 40 IHAB Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)[C@H](C)N3C(=O)NC4(CCCC4)C3=O)s2)cc1 78660892 LWTGXGCDSLCNEG-HOCLYGCPSA-N 440.569 3.857 0 40 IHAB COc1ccc([C@@H](NC(=O)CN[C@H](c2nc(-c3ccncc3)no2)C(C)C)C(C)C)cc1 95466605 ULWVTNJUGLLVNK-VXKWHMMOSA-N 437.544 3.940 0 40 IHAB COC(=O)C[C@H](c1cccnc1)c1oc(CSc2ccc(OC)cc2)cc(=O)c1O 95478115 FPCAZYBHXYQYPD-GOSISDBHSA-N 427.478 3.736 0 40 IHAB O=C(c1ccco1)c1ccc(CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)s1 96119824 IDLMFNIOIGGJKI-UHFFFAOYSA-N 431.413 3.949 0 40 IHAB CCN(CC)C(=O)c1cnc(C)nc1[C@H]1CC[C@H](CNC(=O)c2oc(C)nc2C)CC1 100205065 PZUWBIMFLQJFSD-HDICACEKSA-N 427.549 3.576 0 40 IHAB Cc1cc(Br)c(Cl)cc1NC(=O)[C@@H](C)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 102085459 FJFUIZSRDOWKSF-OWWRBYITSA-N 437.721 3.545 0 40 IHAB CC(C)(C)NC(=O)CSc1nc2ccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2s1 105942046 WEXXRQGWVGTJBI-KBPBESRZSA-N 431.583 3.983 0 40 IHAB COC(=O)CN(c1c(C)cc(C)cc1C)S(=O)(=O)c1ccc(Br)cc1 113881261 XAUATTCYTUOZKL-UHFFFAOYSA-N 426.332 3.743 0 40 IHAB CN(CC(=O)Nc1ccccc1C(=O)c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 219696478 WHNKQDSCCJWYLM-UHFFFAOYSA-N 442.924 3.830 0 40 IHAB O=C(NCCCc1ccc(Cl)cc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 219753783 WVHZNCKPYPIMQD-IBGZPJMESA-N 441.380 3.896 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)Nc3ccc4c(c3)OCCO4)c2)cc1 222545539 WQKHPOOHTJVAJG-UHFFFAOYSA-N 438.505 3.844 0 40 IHAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2Cc2cccnc2)N1Cc1ccccn1 223529224 PPJQPYZLLKSKGO-DHIUTWEWSA-N 426.549 3.894 0 40 IHAB O=S(=O)(Cc1ccc(Cl)cc1)NCc1nc(-c2cccc(Br)c2)no1 223644629 FTTDQWUZGPEKKU-UHFFFAOYSA-N 442.722 3.772 0 40 IHAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)NC2CCCCC2)c1 223835995 JEEIDQKNTWJDAL-UHFFFAOYSA-N 430.526 3.645 0 40 IHAB O=C(NC[C@@H]1CCCO1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1Cl 224019286 LAKZEJRSZSMQTB-AWEZNQCLSA-N 429.325 3.703 0 40 IHAB CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N(C)[C@@H]3CCCC[C@H]3O)cc2)cc1 224183785 UXHHQBNPAGPPNH-NHCUHLMSSA-N 448.610 3.609 0 40 IHAB Cc1ccc(N(CCCC(=O)NCCOc2ccccc2Cl)S(C)(=O)=O)c(C)c1 224646475 UDQPNMAJUFWUQG-UHFFFAOYSA-N 438.977 3.698 0 40 IHAB Cc1nc2ccccn2c1C(=O)N1CCC(c2cc(C(=O)Nc3ccccc3F)[nH]n2)CC1 225561989 QWDMIKMIDBVAMZ-UHFFFAOYSA-N 446.486 3.777 0 40 IHAB COc1ccc2c(c1)[C@H](NC(=O)c1ccc(S(=O)(=O)N3CCCC3)cc1)CC(C)(C)O2 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RALWFBXHNXCYPI-MFUYTVRRSA-N 429.440 3.648 0 40 IHAB COc1ccc(-c2nnc(CN(C)C(=O)c3ccc(Br)cc3)o2)cc1OC 408713879 BUZPMQFQYMRCQX-UHFFFAOYSA-N 432.274 3.789 0 40 IHAB CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCC(=O)Nc1ccc(C)cc1C 409056713 STYVVVAPDPQZQJ-UHFFFAOYSA-N 437.569 3.884 0 40 IHAB COc1ccc([C@H]2[C@H](NC(=O)c3ccc(Cl)cc3)C(=O)N/[N+]2=C\c2ccccc2C)cc1 409061141 WAWGTWMWIKCTCV-WAUWHALJSA-O 448.930 3.673 0 40 IHAB CCCCOC(=O)CN1C(=O)S/C(=C\c2cc(OC)c(O)cc2Br)C1=O 409208146 BHFUFGZBDZJGJH-AUWJEWJLSA-N 444.303 3.543 0 40 IHAB Cc1cccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3cccc(Cl)c3)n2C)c1 409350256 XRKSZMZAQCAHLQ-CQSZACIVSA-N 443.960 3.999 0 40 IHAB CCCN1CCN(C(=O)c2ncc[nH]2)C[C@@H](Cc2ccccc2-c2ccc(C)cc2)C1=O 585183633 UVUGZXSDYOVGHX-JOCHJYFZSA-N 430.552 3.938 0 40 IHAB Cc1cc(C)cc(C2(C(=O)N3CCOC[C@H](Cc4ccc5n[nH]cc5c4)C3)CCOCC2)c1 585262091 VTPRRAJSTQZDNU-JOCHJYFZSA-N 447.579 3.946 0 40 IHAB C[C@@H]1CN(c2ccc(NC(=O)c3cc4c(C(F)(F)F)cc(O)nc4o3)cn2)C[C@@H](C)O1 618054706 MFBMDOOMZXTECV-GHMZBOCLSA-N 436.390 3.813 0 40 IHAB COc1ccc(S(=O)(=O)N(C)c2cc(C(=O)N[C@@H]3C[C@H]4CC[C@H]3C4)ccc2C)cc1 1073668672 CLCMBLYCEBGXIV-XGHQBKJUSA-N 428.554 3.747 0 40 IHAB CCn1c(COc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccccc1OC 649445 ZFBUPMJOKGDQEA-UHFFFAOYSA-N 428.514 3.625 0 40 IHAB Cn1c(=O)[nH]c(=O)c2c1nc(SCc1ccc(Cl)cc1)n2CCc1ccccc1 827958 LQONFAJJKJYSMU-UHFFFAOYSA-N 426.929 3.612 0 40 IHAB Cc1ccc(C(=O)[C@H](C)OC(=O)[C@@H]2CC(=O)N(c3ccc(C(=O)OC(C)C)cc3)C2)cc1 993293 HJVJNMRZYCZMLA-FXAWDEMLSA-N 437.492 3.728 0 40 IHAB C[C@](O)(CS(=O)(=O)Cc1ccccc1Cl)C(=O)Nc1ccc(C(F)(F)F)cc1 1391977 UBUNVIARSXBIGL-KRWDZBQOSA-N 435.851 3.663 0 40 IHAB COc1ccc([C@H]2CC(=O)c3cnc(N[C@H]4OC(=O)c5ccccc54)nc3C2)cc1OC 1407273 CHNZLKGVDWVTME-PEBXRYMYSA-N 431.448 3.688 0 40 IHAB CC(=O)c1ccc(NC(=O)C(=O)c2cn(CC(=O)N3CCCCC3)c3ccccc23)cc1 3015437 YCECYGJMZGKWFM-UHFFFAOYSA-N 431.492 3.678 0 40 IHAB O=C(COC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)Nc1cc(Cl)cc(Cl)c1 3381352 UFQUSVUTLHBKEL-UHFFFAOYSA-N 438.235 3.785 0 40 IHAB C[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)NCc3ccc4c(c3)OCO4)c2C1 3482037 KSWNUIBAAJWQRY-HNNXBMFYSA-N 432.476 3.562 0 40 IHAB O=C(c1cnccn1)N1C[C@@H]2C[C@H](C1)c1ccc(-c3cc4ccccc4s3)c(=O)n1C2 5410587 SIWMSDFEKYMGTK-DOTOQJQBSA-N 428.517 3.780 0 40 IHAB biogenic,in-vitro Cc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3)cc2)no1 6142772 UTSZWNHJYWXBEE-CYBMUJFWSA-N 435.889 3.843 0 40 IHAB Cc1ccc2cc(CN(C[C@@H]3CCCO3)C(=S)NCc3ccco3)c(=O)[nH]c2c1C 8829227 TYNMFTZNIMQJED-FQEVSTJZSA-N 425.554 3.794 0 40 IHAB O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1ccccc1N1CCCC1=O 8860942 HPHJAEKAQHQNMA-UHFFFAOYSA-N 441.553 3.630 0 40 IHAB CCOc1ccc(CCNC(=O)CSCC(=O)Nc2ccc(C)cc2)cc1OCC 9004829 DAZDFWZZYRKMTG-UHFFFAOYSA-N 430.570 3.823 0 40 IHAB COc1ccc(S(=O)(=O)N[C@@H](CCSC)C(=O)Nc2ccc(C)c(Cl)c2)cc1 9120632 ANZGHVBMBVTUED-SFHVURJKSA-N 442.990 3.696 0 40 IHAB Cc1ccc(S(=O)(=O)N2CN(CCCOC(C)C)c3nc4ccccc4nc32)cc1 9215759 FNRVNTMMAYSUDF-UHFFFAOYSA-N 426.542 3.726 0 40 IHAB CCCc1nnc2n1N[C@@H](c1ccc(F)cc1)[C@H](C(=O)Nc1ccc(OC)cc1)S2 9239203 WFIRXHUAWQCWGW-RBUKOAKNSA-N 427.505 3.776 0 40 IHAB COc1ccc(Cc2nc3c4c(C)c(C)n(Cc5cccnc5)c4ncn3n2)cc1OC 9341880 FSFCIUAGQIPXLS-UHFFFAOYSA-N 428.496 3.747 0 40 IHAB Cc1ccc(Cn2c(SCC(=O)Nc3cc(C)cc(C)c3)nc3nccnc3c2=O)cc1 9405387 JDQSLEUQXCJIQE-UHFFFAOYSA-N 445.548 3.891 0 40 IHAB CCOc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2C[C@H]2CCCO2)cc1OC 9408907 YKHSCQXPXAHAPH-VOIUYBSRSA-N 449.507 3.914 0 40 IHAB COc1cc(C)c(NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1OC 9546760 FZRAIIWPDFCYLV-UHFFFAOYSA-N 432.542 3.829 0 40 IHAB CCCn1c(SCC(=O)NCc2ccc(OC)cc2)nc2c(oc3ccccc32)c1=O 9751848 GEIPARBKYMXIIC-UHFFFAOYSA-N 437.521 3.970 0 40 IHAB Cc1cc(C)n2c(SCC(=O)N3N=C(c4cccs4)C[C@@H]3c3ccco3)nnc2n1 9833479 OYAOBPPUZWUKDC-OAHLLOKOSA-N 438.538 3.866 0 40 IHAB CS(=O)(=O)Nc1ccc(C(=O)NCCSCc2ccc(Br)s2)cc1 11708056 ZMEBDTIOYIYYBL-UHFFFAOYSA-N 449.417 3.545 0 40 IHAB COc1ccccc1CC(=O)N1CCC(c2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 12129096 KDEGJQRMKNTSAS-UHFFFAOYSA-N 437.565 3.821 0 40 IHAB COc1cc(NC(=O)CCS[C@@H]2CCc3ccccc3NC2=O)cc(OC)c1OC 12407989 YHGWNKOREXABGQ-LJQANCHMSA-N 430.526 3.728 0 40 IHAB O=C(CCn1cnc2c(cnn2-c2ccccc2)c1=O)NC(c1ccccc1)c1ccccc1 12440184 CHJGNKVNYIPTHT-UHFFFAOYSA-N 449.514 3.878 0 40 IHAB O=C(CSc1nnc(COc2cccc3cccnc23)o1)c1ccc2c(c1)OCCO2 12468124 BXZOGJUKIQDTBW-UHFFFAOYSA-N 435.461 3.943 0 40 IHAB CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)c1cncn1-c1ccc(F)cc1 12535910 UYZCGQWPBZGRIV-UHFFFAOYSA-N 436.365 3.621 0 40 IHAB Cc1c(-c2ccccc2)oc2c(C(=O)OCC(=O)N3C[C@H](C)O[C@H](C)C3)cccc2c1=O 12541912 GFLQKRWRAKSXNR-IYBDPMFKSA-N 435.476 3.561 0 40 IHAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3cc(F)cc(F)c3)c12 12766128 WJLYHLABWDPHFI-MRXNPFEDSA-N 446.479 3.507 0 40 IHAB O=S1(=O)CC[C@@H](N(Cc2ccccc2)Cn2nc(-c3ccccc3F)oc2=S)C1 12889590 JQWMPCOFEKRBTE-MRXNPFEDSA-N 433.530 3.658 0 40 IHAB CSc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c1 12920171 KCCHQVJXJCRWIM-UHFFFAOYSA-N 430.595 3.937 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)CCc3ccccc3)CC2)cc1C 12926358 OKJJRNXJJKZURT-HXUWFJFHSA-N 428.598 3.842 0 40 IHAB CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc(OC(F)F)cc2)c1 12996666 NVDQGYGHGGUEAP-UHFFFAOYSA-N 432.876 3.558 0 40 IHAB COc1cccc(NC(=O)CN(C)C(=O)c2ccc(OCc3ccccc3)c(OC)c2)c1 13005048 PVJNBJZGFVINMD-UHFFFAOYSA-N 434.492 3.994 0 40 IHAB C[C@H]1Cc2ccccc2N1C(=O)CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 13058090 MWDJYVWXXWXGIB-AWEZNQCLSA-N 438.881 3.854 0 40 IHAB Cc1nc(SCC(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)c2ccccc2n1 13150583 RZPMTWKBZOODHI-NSHDSACASA-N 426.567 3.954 0 40 IHAB CCn1c(=O)c(=O)n(CC)c2cc(N3CCCCC3)c(NC(=O)c3ccc(C)cc3)cc21 13364546 NLKUZDNTUNTTGM-UHFFFAOYSA-N 434.540 3.754 0 40 IHAB COc1cc([C@@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccccc2C)n3C)ccc1O 13567489 SJWOIJPSKOCUBX-INIZCTEOSA-N 437.521 3.569 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCN3CCCCCC3)cc2C)cc1 13680580 TZBHVDLHGKZLKA-UHFFFAOYSA-N 429.586 3.710 0 40 IHAB C[C@H](NCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc2ccccc2c1 14123913 HWRMEAIYKJNWHU-SFHVURJKSA-N 437.565 3.914 0 40 IHAB CCCNC(=O)OC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2ccc(N(C)C)cc2)nc(C)n1 15672486 AJUONXZSAWBQRQ-NNWRFLSQSA-N 437.588 3.832 0 40 IHAB biogenic,in-vitro COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(=O)NC2CCCCC2)cc1OC 15957237 YTVLZQAMDFWOIX-DCEDVJGZSA-N 430.589 3.821 0 40 IHAB biogenic Cc1ccc(C)c(NC(=O)COc2cccc3ccc(N4CCC(C(N)=O)CC4)nc23)c1 17026254 WGKVXOBYCLCTHP-UHFFFAOYSA-N 432.524 3.571 0 40 IHAB COc1ccc(CN2CCC[C@@H](c3n[nH]cc3-c3ccnc(N4CCCC4)n3)C2)cc1OC 19560968 LNGMDRYALJOGAE-LJQANCHMSA-N 448.571 3.864 0 40 IHAB CNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCN(Cc2cccc(OC)c2OC)C1 19591729 MZUJRKCQXICEQX-MHZLTWQESA-N 445.563 3.947 0 40 IHAB O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1)Nc1ccc(F)c(F)c1F 19935558 DVSXFNDNWNBEJY-UHFFFAOYSA-N 448.850 3.559 0 40 IHAB Cc1cc(OCC(=O)Nc2ccc(CN3CCOCC3)cc2)c2c(C)c(C)c(=O)oc2c1 20589056 LXBBRZLOKVRJPM-UHFFFAOYSA-N 436.508 3.568 0 40 IHAB Cc1cccc(C)c1NC(=O)Cn1nc(-c2ccco2)c2sc(N3CCCC3)nc2c1=O 23109033 SSFLHBCVHZRROB-UHFFFAOYSA-N 449.536 3.969 0 40 IHAB CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2cccc(C(=O)NC)c2)c1 23687414 SZHAAJFDJPOWHS-UHFFFAOYSA-N 437.521 3.514 0 40 IHAB O=C(O)COc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(C(=O)O)cc2)cc1 24072663 DKUSTTDXTWBQAU-VGOFMYFVSA-N 442.427 3.718 0 40 IHAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1ccnc(N2CCOCC2)c1 25291388 KQHGFZLEBZQDLV-UHFFFAOYSA-N 430.867 3.604 0 40 IHAB Cc1nc(CSCCC(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cs1 30186116 LEQREIFIJMSKCI-UHFFFAOYSA-N 446.594 3.968 0 40 IHAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(NS(C)(=O)=O)cc2Cl)CC1 30862533 MWMRHADMQOQVMD-UHFFFAOYSA-N 442.368 3.636 0 40 IHAB CCc1ccc([C@H](NC(=O)C2CCN(c3ccc4nncn4n3)CC2)c2cccs2)cc1 31260901 HJBQBPKLQXFDFS-QHCPKHFHSA-N 446.580 3.870 0 40 IHAB CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)NCC(=O)Nc1cc(Cl)ccc1Cl 32967431 WHPAJJLBASYHDT-GOSISDBHSA-N 437.327 3.894 0 40 IHAB CNS(=O)(=O)c1cc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)ccc1Cl 32985973 MFYVJKSMQJGUDR-UHFFFAOYSA-N 446.941 3.877 0 40 IHAB Cn1c(SCC(=O)Nc2cccc(C(=O)O)c2)nnc1-c1ccc(Br)cc1 33370886 RXXWLGNWHADFPK-UHFFFAOYSA-N 447.314 3.674 0 40 IHAB O=C(NCCN1C(=O)S/C(=C/c2ccccc2)C1=O)c1ccc(Br)cc1 33731201 UENVUTAFTWFJIO-FOWTUZBSSA-N 431.311 3.915 0 40 IHAB O=C1C[C@H](C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)CN1c1ccccc1Cl 36636412 CDLUAPYDBPRUJO-FUHWJXTLSA-N 426.900 3.828 0 40 IHAB CCOc1ccc([C@@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@H](C)Nc3ncnn32)cc1OC 36701694 QXSDTSZGRXHZRE-QTJFZDIUSA-N 441.919 3.997 0 40 IHAB Cc1ccc(NC(=O)CSCC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 40157296 AFODFMLROQWZGU-HSZRJFAPSA-N 426.538 3.705 0 40 IHAB COCc1nn2c(C)c(C(=O)N3CCCCC3)nnc2c1-c1ccc(Br)cc1 40372544 XOZPBSIKHUZHEE-UHFFFAOYSA-N 444.333 3.635 0 40 IHAB CC(C)n1cnc2nc(COc3ccccc3NC(=O)c3ccccc3Cl)cc(=O)n21 41077149 GHJNPHNRVIFGQA-UHFFFAOYSA-N 437.887 3.957 0 40 IHAB CSc1ncc(Cl)c(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(F)cc2)n1 41156880 FRUWYQSYVKOWAI-QGZVFWFLSA-N 444.919 3.971 0 40 IHAB Cc1nc2c(sc3ncccc32)c(=O)n1CC(=O)Nc1ccc(Br)cc1F 46153619 LECLXVBRBFGHDM-UHFFFAOYSA-N 447.289 3.855 0 40 IHAB CC(C)(CN1C(=O)[C@H](Oc2ccccc2F)[C@@H]1c1cc(F)ccc1F)N1CCOCC1 48235806 TZAAKXZSNYLUQE-LEWJYISDSA-N 434.458 3.546 0 40 IHAB COc1cc(S(=O)(=O)Nc2cccc(Nc3nc(C)cs3)c2)cc(C(=O)O)c1OC 48302011 WFFKWZMMSMHLHR-UHFFFAOYSA-N 449.510 3.711 0 40 IHAB CCN(Cc1ccc2c(c1)OCO2)C(=O)CN(C)CCOc1ccc(Br)cc1 49574107 PLXZUNXOPCPRCZ-UHFFFAOYSA-N 449.345 3.537 0 40 IHAB CC(C)NS(=O)(=O)c1cccc(C(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)c1 65917932 NJMUFXYFDGDBBF-UHFFFAOYSA-N 425.554 3.874 0 40 IHAB O=C(CSc1ccccc1C(=O)N1CCCN(Cc2cccs2)CC1)N1CCCC1 69981279 LFSMNBBJFXAFAP-UHFFFAOYSA-N 443.638 3.811 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CCCNC(=O)c2ccccc2)c(Br)c1 72307856 CULFPBDGYMAXNL-UHFFFAOYSA-N 433.302 3.775 0 40 IHAB CN1CCCC[C@](C)(C2CCN(Cc3ccccc3OCCN3CCCC3=O)CC2)C1=O 72372051 SGQOUZPQCZLGHM-AREMUKBSSA-N 441.616 3.548 0 40 IHAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H]2c2n[nH]cc2-c2ccc(F)cc2)cc1 72380285 NEYSQFJCWZRUSY-HXUWFJFHSA-N 428.489 3.700 0 40 IHAB COc1ccc(C2(C(=O)N3CCC([C@@H]4C[C@H](C(F)(F)F)n5ncnc5N4)CC3)CC2)cc1 72395588 HBFZJOMWTDQRIG-ZWKOTPCHSA-N 449.477 3.545 0 40 IHAB COc1ccc(NC(=O)Cn2cc(-c3nc(-c4cccs4)no3)ccc2=O)cc1Cl 77199960 OMWQUBTUOKZQDN-UHFFFAOYSA-N 442.884 3.928 0 40 IHAB CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)O[C@@H](C)c1cnc2ccccc2c1 79052261 DQYVXOKSPWVSBM-KKSFZXQISA-N 444.578 3.939 0 40 IHAB Cc1ccc(SCC(=O)N2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)c(C)c1 89614473 DFITWYSWQBJJEZ-UHFFFAOYSA-N 446.638 3.854 0 40 IHAB COc1cc(CN(C(=O)c2cc(Cn3cc(C)cn3)on2)C2CC2)ccc1OC(F)F 89702511 RMEWZQMVUSMPRW-UHFFFAOYSA-N 432.427 3.643 0 40 IHAB COc1ccc(C)cc1-n1ccc(C(=O)N2CCC(n3ccc(C(F)(F)F)n3)CC2)n1 95466095 FJANUCQLSNNSRP-UHFFFAOYSA-N 433.434 3.882 0 40 IHAB Cn1c(=O)[nH]c2ncc(-c3cccc(C(=O)NCc4coc(-c5cccs5)n4)c3)cc21 95945780 UTILNDGEHVPAKT-UHFFFAOYSA-N 431.477 3.575 0 40 IHAB O=C(Cc1ccc(Br)cc1)N1[C@H]2CC[C@@H]1CC(S(=O)(=O)c1ccccc1)C2 96099584 TUXDVPSGVUPOBM-UFRUDQCGSA-N 448.382 3.988 0 40 IHAB CCCOC(=O)c1c(NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)sc2c1CCCC2 102445279 QYQFTVRVNLWSNO-GJZGRUSLSA-N 446.569 3.698 0 40 IHAB COc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 139142383 ZPCOYOYHUMIZAS-GFCCVEGCSA-N 437.279 3.537 0 40 IHAB CC[C@@H](C(=O)N[C@H](C)COc1ccc(C)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 219108753 FQLNJRIRUTVZEW-UZLBHIALSA-N 438.977 3.777 0 40 IHAB Cc1cccc(N(CCCC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)c1 219621297 JMRRGSOMNWOYKY-FQEVSTJZSA-N 430.570 3.960 0 40 IHAB CCCSc1nnc(NC(=O)[C@H](C)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)s1 223724136 CAPFFTMYHWHCBF-NSHDSACASA-N 449.023 3.795 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCOCc3ccccc3)cc2)cc1 223845029 CFZWFLJFPSNLEH-UHFFFAOYSA-N 438.549 3.767 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)Cc3ccccc3)cc2)cc1OC 223988106 GNFQFEXFMBURHR-UHFFFAOYSA-N 440.521 3.777 0 40 IHAB CN(Cc1ccc(C(=O)NCCCOC2CCCC2)cc1)S(=O)(=O)c1ccccc1 224416855 NHJNGVKGGWJNGZ-UHFFFAOYSA-N 430.570 3.586 0 40 IHAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NC3CCCCCC3)cc2)cc1 224439300 QZOOSTMCLGLLSQ-UHFFFAOYSA-N 430.570 3.969 0 40 IHAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCC3=CCCCC3)Oc3ccc(C)cc32)cc1 224504112 RKEPICBAKMNRLL-QHCPKHFHSA-N 440.565 3.876 0 40 IHAB CCOC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(OC)c(F)c1 225103506 QUCCIDKGQNBSDK-UHFFFAOYSA-N 436.288 3.900 0 40 IHAB CCn1cc(NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3=C(C)C)[C@@H]2C(=O)O)c(C(=O)NC2CCCCC2)n1 225694759 UWBBAKSRUFMVAU-GJJHYRHESA-N 442.560 3.597 0 40 IHAB NC(=O)c1cccc(-c2cccc([C@@H]3CN(C(=O)CCCc4ccc(F)cc4)CCO3)n2)c1 257235655 GYUFRTVJWRNJOE-DEOSSOPVSA-N 447.510 3.909 0 40 IHAB c1ccc(COc2cccc(CN3CCOC[C@H](Cc4ccc5nccn5n4)C3)c2)cc1 257244723 IMNIPIPEXRZPDM-HSZRJFAPSA-N 428.536 3.999 0 40 IHAB CCOc1ccc(N([C@H](C)C(=O)NCc2cccc3ccccc23)S(C)(=O)=O)cc1 260838451 RVQROFCJQVGGFB-QGZVFWFLSA-N 426.538 3.709 0 40 IHAB CC(C)n1nccc1[C@@H]1CN(C(c2ccccc2)c2ccccc2)C[C@]12OCCN(C)C2=O 306131207 JYPSHEJIKUOVIO-HOFKKMOUSA-N 444.579 3.880 0 40 IHAB O=C1S/C(=C\c2cc(I)c(O)cc2O)C(=O)N1c1ccccc1 408807068 BWEUIAJMMDSLEY-AUWJEWJLSA-N 439.230 3.943 0 40 IHAB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cccc(C(=O)OC)c3C)o2)C1=O 409056199 LBKBPBALCKNOQZ-LICLKQGHSA-N 429.450 3.641 0 40 IHAB COC(=O)COc1ccc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc1OC 409147857 WETSRYPXXZDJNI-XSFVSMFZSA-N 441.505 3.916 0 40 IHAB O=C(O)C[C@@H]1CCCN(C(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)C1 532875405 YGTPHMHEICNHLE-OXJNMPFZSA-N 428.916 3.915 0 40 IHAB Cc1nc(N2CCOCC2)ccc1NC(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1 552124923 YORHOBXHNHAPSF-UHFFFAOYSA-N 431.418 3.683 0 40 IHAB O=C1CCCCc2cc(C(=O)N3CCNC(=O)[C@@H]3c3ccccc3Br)ccc21 570014483 PLMGVEDFNMXZLD-FQEVSTJZSA-N 441.325 3.672 0 40 IHAB CC(=O)NCC(=O)N1CCc2cc(C(=O)Nc3ccc(F)cc3-c3ccc(F)cc3)ccc21 605271942 SNLPBIJETOLCLF-UHFFFAOYSA-N 449.457 3.909 0 40 IHAB Cc1ccc(CNC(=O)Nc2cccc([C@@]3(C)COC(=O)N3)c2)c(-n2cc(Cl)cn2)n1 1674583970 WLMNJCKENWXMBB-OAQYLSRUSA-N 440.891 3.506 0 40 IHAB CCn1cc(CN2CCCC[C@@H]3[C@H](OC)CCCN3C(=O)c3cccc(c3)OCC2)cn1 2037981135 WMKSQXRKZGZXOW-DNQXCXABSA-N 440.588 3.588 0 40 IHAB COc1cc(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)c(OC)cc1Cl 794860 GPTNQUKPXZUUQU-UHFFFAOYSA-N 432.885 3.658 0 40 IHAB CCNC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 2167905 KPLKQFSNDBEMII-UHFFFAOYSA-N 435.760 3.974 0 40 IHAB CCCn1nnc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)n1 2353370 YDEBGPDVWUEPME-UHFFFAOYSA-N 425.301 3.777 0 40 IHAB COc1ccccc1N(CC(=O)N1c2ccccc2C[C@@H]1C)S(=O)(=O)c1cccs1 3312340 CDBJVCLQPFYYAW-INIZCTEOSA-N 442.562 3.930 0 40 IHAB O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)NCCc1ccc2c(c1)OCCO2 3560233 MTNHGQGPTSMBBX-UHFFFAOYSA-N 431.901 3.612 0 40 IHAB COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(Br)cc2)cc1OC 8843873 FOOIXLMMSFTXDJ-GOSISDBHSA-N 446.301 3.733 0 40 IHAB O=C(O)C[C@@H](NC(=O)CCCCCN1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1 8867269 XLCBOTQHSAUUQI-LJQANCHMSA-N 442.899 3.829 0 40 IHAB COc1ccc(N(CC(=O)Nc2ccccc2OC)S(=O)(=O)c2ccc(F)cc2)cc1 8918764 BEXQAEGWVMZZGH-UHFFFAOYSA-N 444.484 3.677 0 40 IHAB CCOC(=O)CC(=O)c1sc2c(c1N)[C@@H](c1cccs1)C(C(=O)OCC)=C(C)N2 8934258 QUSPRLJWTFTEIY-HNNXBMFYSA-N 434.539 3.922 0 40 IHAB Cc1coc2c(C)c3oc(=O)c(CC(=O)N4CCN(c5ccccn5)CC4)c(C)c3cc12 9184276 DDCOTSYXRSXGGY-UHFFFAOYSA-N 431.492 3.751 0 40 IHAB O=C(CSc1nc2ccccc2n1-c1ccccc1)N1CCN(c2ccccn2)CC1 9198078 HVDGWAOHEUKHCH-UHFFFAOYSA-N 429.549 3.861 0 40 IHAB Cc1nn(C)c2c1[C@@H](c1ccc(Cl)c(Cl)c1)[C@H](NC(=O)c1ccccc1)C(=O)N2 9252538 KDKLZPMYMSSREA-MSOLQXFVSA-N 429.307 3.918 0 40 IHAB CCOC(=O)C1=C(NC(=O)CSc2nnc(-c3ccoc3C)o2)S[C@@H]2CCCC[C@@H]12 9289666 ZZVAWFAOYSABCI-ZIAGYGMSSA-N 449.554 3.927 0 40 IHAB Cc1ccc(-n2nc3c(c2NC(=O)c2cccc(Br)c2)C[S@@](=O)C3)cc1 9413515 DSFYTPNBTHLNIP-SANMLTNESA-N 430.327 3.958 0 40 IHAB Cc1cc(C(=O)Cn2cnc3cc(F)ccc3c2=O)c(C)n1C[C@H]1COc2ccccc2O1 9647196 SPJINGJOHCGLAG-SFHVURJKSA-N 447.466 3.677 0 40 IHAB COc1ccc(C)cc1NC(=O)Cc1csc(NC(=O)c2ccc(OC)c(OC)c2)n1 9659198 VSFXCMHOQHHSAY-UHFFFAOYSA-N 441.509 3.911 0 40 IHAB COc1ccc(Cn2c(=O)c3ncccc3n(Cc3ccc(C(F)(F)F)cc3)c2=O)cc1 9660609 ZJLZZCBSKRUFLX-UHFFFAOYSA-N 441.409 3.682 0 40 IHAB CC[C@H](C)N(C(=O)CSc1nc2cc(Cl)ccc2s1)[C@H]1CCS(=O)(=O)C1 9665756 JJOLBJYXRUYBPH-AAEUAGOBSA-N 433.020 3.856 0 40 IHAB O=C(CSc1nnc(N2CCOCC2)n1-c1cccc(F)c1)c1c[nH]c2ccccc12 9783823 SVNDAYUMMIBKHQ-UHFFFAOYSA-N 437.500 3.699 0 40 IHAB CCc1ccc(N2CCCCn3c2nc2c3c(=O)n(Cc3cccc(C)c3)c(=O)n2C)cc1 10102071 DKXMJUWUINMCJV-UHFFFAOYSA-N 443.551 3.748 0 40 IHAB O=C(Nc1ccc(-c2ccc(N3CCOCC3)nn2)cc1)c1ccc(Br)cc1 10186642 MCCSGMLMPKEAGX-UHFFFAOYSA-N 439.313 3.995 0 40 IHAB CCCCN1C[C@H](C(=O)Nc2ccc(C(=O)Nc3cc(OC)ccc3OC)cc2)CC1=O 10462025 HIQKASQOJJDNSJ-QGZVFWFLSA-N 439.512 3.543 0 40 IHAB CNC(=O)NC(=O)[C@@H](C)OC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CCC2 11500022 VMZBZFJGHWKWHN-SXWSKBOKSA-N 433.464 3.706 0 40 IHAB COc1ccc(C2(C(=O)N3CCC(n4nnc5ccccc5c4=O)CC3)CCCCC2)cc1 12182319 FYXPKNRFGYUACD-UHFFFAOYSA-N 446.551 3.866 0 40 IHAB O=C(NCCc1c[nH]c2ccccc12)c1ccc(N2CCCCS2(=O)=O)cc1Cl 12194718 HCZMCOYLSZPWMF-UHFFFAOYSA-N 431.945 3.724 0 40 IHAB O=C(NC(c1ccccc1)c1ccccc1)c1cc(C2CC2)n([C@@H]2CCS(=O)(=O)C2)n1 12229845 YIIITOMNHYKUCP-HXUWFJFHSA-N 435.549 3.640 0 40 IHAB O=C(CN1CCC[C@H](c2ccccc2)C1)N1CCC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 12235933 FTKXUNYPFAPCJE-XZOQPEGZSA-N 448.611 3.555 0 40 IHAB O=c1c(Cl)c(Cl)cnn1-c1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC3)cc1 12740006 KDYFOQYLVMWMKY-UHFFFAOYSA-N 436.320 3.829 0 40 IHAB CC(C)Cc1noc(CSc2nc3sc4c(c3c(=O)n2C[C@@H]2CCCO2)CCC4)n1 12816149 KVGATKBMIIUZMC-ZDUSSCGKSA-N 446.598 4.000 0 40 IHAB O=C1N[C@]2(CCCc3ccccc32)C(=O)N1C[C@@H](O)COc1ccc(Cl)cc1Cl 12870051 IUTMXAMKFLCQOP-VFNWGFHPSA-N 435.307 3.517 0 40 IHAB O=C(c1c[nH]c2ccccc12)[C@@H](c1ccccc1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 12875626 ULDJZODPCCYPEU-HYBUGGRVSA-N 431.536 3.663 0 40 IHAB O=C(Cn1cc(Br)ccc1=O)NCCC(c1ccccc1)c1ccccc1 12935576 FUBRIWROFWEZCT-UHFFFAOYSA-N 425.326 3.949 0 40 IHAB COC(=O)c1ccc(NC(=O)COC(=O)C2C[C@@H]3CCC[C@H](C2)C32SCCS2)cc1 13027561 ZVYCEMPBUGLTBP-ALOPSCKCSA-N 449.594 3.958 0 40 IHAB CC[C@@H](c1nnnn1CCOC)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1 13065003 HQYXUNQPFRDGKO-QFIPXVFZSA-N 438.576 3.674 0 40 IHAB Cc1cc(C(=O)O)cc(S(=O)(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)c1C 13078967 GBXQKZRADYOBPF-UHFFFAOYSA-N 440.525 3.787 0 40 IHAB COC(=O)c1sccc1NC(=O)CSc1ncnc2c1cnn2-c1ccc(F)cc1 13296533 QOYMUQDQSARDOX-UHFFFAOYSA-N 443.485 3.534 0 40 IHAB O=C(O)c1cc(S(=O)(=O)Nc2cccc(Br)c2)ccc1Br 13345382 OMHXGDXMVXYLRW-UHFFFAOYSA-N 435.093 3.711 0 40 IHAB CC[C@@H](c1nnnn1C1CCCCC1)N(CCCO)Cc1cc2cc(C)ccc2[nH]c1=O 13495992 GEHWBXNMYZGEIM-QFIPXVFZSA-N 438.576 3.664 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)[C@H](CC)N(c2ccccc2)S(C)(=O)=O)cc1 13711696 UKPPQLAXNGJRRI-FQEVSTJZSA-N 432.542 3.827 0 40 IHAB COc1ccc(NC(=O)[C@H](c2ccccc2)N2CCN(C(=O)C3CC3)CC2)cc1Cl 14020685 ZHUXYCYKJIOXMS-NRFANRHFSA-N 427.932 3.583 0 40 IHAB CN(C)[C@@H](CNC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1ccccc1 15372431 MVDXAXHEAVPINB-IBGZPJMESA-N 429.567 3.582 0 40 IHAB Cc1cccc(NC2=NN=C(c3ccc4c(c3)C[C@H](C)N4S(C)(=O)=O)CS2)c1C 15404206 SXQQEKNZWIBKFJ-AWEZNQCLSA-N 428.583 3.933 0 40 IHAB CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]2[C@@H]2CCCN21 16011915 MACMDJRTEKINSG-BINBFKAUSA-N 449.938 3.642 0 40 IHAB COc1ccc([C@@H](NC(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)c2nccn2C)cc1 16476407 LSNUDLYTTLOCRL-LADGPHEKSA-N 430.508 3.599 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCc3ccc4c(c3)OCO4)c2)cc1F 17320923 NZHVVSTXRPCRHX-UHFFFAOYSA-N 442.468 3.594 0 40 IHAB CC[C@H](NC(=O)COc1ccc(I)cc1)c1ccc(OC)cc1 18131571 HIQDEEJMZWYCGZ-KRWDZBQOSA-N 425.266 3.946 0 40 IHAB COc1cc(C)ccc1OCC(=O)N[C@@H](C)c1nc2cc(-c3ccccc3F)ncn2n1 19134346 VFUZQCRQVDTEDA-HNNXBMFYSA-N 435.459 3.504 0 40 IHAB COc1ccccc1CN1CCN([C@H](CC(C)C)c2nnnn2Cc2cccs2)CC1 19446927 HWJWGPVXFJWHEX-OAQYLSRUSA-N 440.617 3.697 0 40 IHAB O=C(OCc1ncc(-c2ccccc2)o1)c1ccccc1S[C@@H]1CCS(=O)(=O)C1 19471558 LLMLQJKDDMOCQY-MRXNPFEDSA-N 429.519 3.978 0 40 IHAB CN(C)C(=O)C1(Cc2cccc(-c3ccncc3)c2)CCN(C(=O)c2ccccn2)CC1 19700473 YPAAXCQAMSKCLN-UHFFFAOYSA-N 428.536 3.697 0 40 IHAB Cn1cc2c(n1)[C@@H](C(=O)NCCc1c[nH]c3ccc(F)cc13)CN(CCc1ccccc1)C2 19701269 LHQSENHJJMFPDB-QHCPKHFHSA-N 445.542 3.541 0 40 IHAB Cc1noc(C)c1CC(=O)N1CC[C@@H](c2ccc3c(NCc4ccc(F)cc4)n[nH]c3n2)C1 19705050 DEAPFSMXHUMBCW-QGZVFWFLSA-N 448.502 3.873 0 40 IHAB Cc1nc([C@@]2(O)CCCN(Cc3ccnn3C)CC2)sc1CCOc1ccc(F)cc1 19738717 QHZVMWXRLBHLLM-HSZRJFAPSA-N 444.576 3.819 0 40 IHAB CCn1cc(CN2CC[C@H](c3nc(C)c4c(n3)N(Cc3cccc(F)c3)C(=O)CC4)C2)cn1 19738832 JGNYSBUAPJAZRS-FQEVSTJZSA-N 448.546 3.609 0 40 IHAB COc1ccc(CN2CCCC[C@H]2c2ncc(C(N)=O)c(C)n2)cc1Cc1c(C)noc1C 19764660 MYMPRJPCZYMUAT-QFIPXVFZSA-N 449.555 3.815 0 40 IHAB O=S(=O)(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc2c(c1)OCCO2 20003694 FQVFNIMKJVJIFX-UHFFFAOYSA-N 447.516 3.789 0 40 IHAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCCCc3cccc(C)c3)CC2)cc1 20039573 TYZNEMDGIGIXDY-UHFFFAOYSA-N 428.598 3.594 0 40 IHAB Cc1ccc2c(c1)[C@H](NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O)CC(C)(C)O2 22330698 KEXINLUSEBDUDE-QGZVFWFLSA-N 436.961 3.833 0 40 IHAB C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 22531845 MLSNPXGOODZVOL-MRXNPFEDSA-N 448.504 3.837 0 40 IHAB CC(C)(C)NC(=O)CN1CCN(Cc2cc(F)cc3c2O[C@@H](c2ccsc2)OC3)CC1 22792513 RYQRAWVIASNTLP-QFIPXVFZSA-N 447.576 3.527 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3OCC)CC2)cc1 23652496 ZWNXOHMBYBYUQP-UHFFFAOYSA-N 432.542 3.523 0 40 IHAB O=C(c1ccccc1N1CCCC1=O)N1CCN(Cc2ccc(Br)s2)CC1 23819955 CXBMAWQKEOBSNE-UHFFFAOYSA-N 448.386 3.595 0 40 IHAB CC(C)(CNC(=O)c1ccccc1I)N1CCc2ccccc2C1 25461030 WWGQFWAOHXVFBV-UHFFFAOYSA-N 434.321 3.858 0 40 IHAB CNS(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc(COc3cccc(F)c3)c2)c1 31397522 NTGTUOYBVFKVFF-UHFFFAOYSA-N 428.485 3.874 0 40 IHAB C[C@@H](Sc1nc(O)c2cnn(-c3ccccc3)c2n1)C(=O)Nc1ccc(F)cc1F 32774464 OQANZFAHHFBDBQ-LLVKDONJSA-N 427.436 3.919 0 40 IHAB COc1ccc(-c2ccc(CCC(=O)N3C[C@@H](C(=O)N(C)C)Oc4ccccc43)o2)cc1 32836936 BGLDTYYUMGOZPK-QHCPKHFHSA-N 434.492 3.770 0 40 IHAB COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1ccc(OC[C@H]2CCCO2)cc1 32966591 OFIBKZMTSJEUHM-GOSISDBHSA-N 432.904 3.617 0 40 IHAB COc1ccccc1NC(=O)[C@H]1CC(=O)N(Cc2ccccn2)c2nc3ccccc3n21 36559192 FRTMFQDMMKAJQU-HXUWFJFHSA-N 427.464 3.557 0 40 IHAB CCc1ccc([C@@H](NC(=O)CN(C)S(=O)(=O)c2cccs2)c2cccs2)cc1 39980612 HGJPSBTUOBYFOK-HXUWFJFHSA-N 434.608 3.898 0 40 IHAB O=C(NCc1ccnc(Oc2ccccc2)c1)c1c[nH]nc1-c1ccc2c(c1)OCCO2 40110565 OYNPIQCPQFMBEB-UHFFFAOYSA-N 428.448 3.965 0 40 IHAB CCn1nc(-c2ccc(C)c(S(=O)(=O)NC3CCCCC3)c2)c2c(c1=O)CCCC2 46027544 IWBLPYGVQISKHW-UHFFFAOYSA-N 429.586 3.728 0 40 IHAB Cc1c(C(=O)Nc2ccccc2Cl)nnn1CC(=O)Nc1ccc(Br)cc1 67322596 ASAOQUMMDNUILJ-UHFFFAOYSA-N 448.708 3.893 0 40 IHAB Cc1ccc(Sc2nccn3c(=O)n(CC(=O)Nc4ccc(C)cc4F)nc23)c(C)c1 67340063 IHWITTLPIGMIAW-UHFFFAOYSA-N 437.500 3.745 0 40 IHAB c1csc(-c2cc(-c3nn4c(CN5CCOCC5)nnc4s3)c3ccccc3n2)c1 71260516 ANFBYMBEPQBHFX-UHFFFAOYSA-N 434.550 3.962 0 40 IHAB COc1cccc(N(C)CCC(=O)N2CCC[C@@H]2c2cccc(Nc3cnccn3)n2)c1 72375867 STBSRHGHYBHFBV-OAQYLSRUSA-N 432.528 3.814 0 40 IHAB Cc1c(C(=O)N2CCC[C@H](c3ccnc(Nc4cnccn4)n3)C2)[nH]c2ccc(F)cc12 72379945 RXCKKOIBAKDXJI-HNNXBMFYSA-N 431.475 3.959 0 40 IHAB COc1ccc(Cl)cc1NC(=O)c1sc2ncn(C[C@H]3CCCO3)c(=O)c2c1C 80345590 VRCDNHUQIVXWHR-CYBMUJFWSA-N 433.917 3.860 0 40 IHAB COc1cc(C(=O)N[C@H](C)c2ccc([S@@](C)=O)cc2)cc(OC)c1Br 89904889 VBPGHEUJHAOUGL-NDHGSNPTSA-N 426.332 3.695 0 40 IHAB CCOC(=O)c1c(NC(=O)CSc2nnc(N)s2)sc2c1CC[C@@H](CC)C2 95481988 KFUSJSXBEYCNFV-SECBINFHSA-N 426.589 3.604 0 40 IHAB COc1cc(OC)cc(C2=NN(C(=O)CCCC(=O)O)[C@@H](c3ccccc3OC)C2)c1 95532103 PAGHEZIQRAPKLX-HXUWFJFHSA-N 426.469 3.645 0 40 IHAB CC(C)(C)c1nccc(CCCNC(=O)CCC(=O)N2CCSc3ccccc32)n1 96009805 CRYAIQFPSCWUHV-UHFFFAOYSA-N 426.586 3.742 0 40 IHAB CCc1ccccc1N1CCN(C(=O)c2ccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc2)CC1 101160261 HNTCOBGIIHRDLH-DHIUTWEWSA-N 445.563 3.891 0 40 IHAB CCCOC(=O)c1c(NC(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)sc2c1CCCC2 102445274 QYQFTVRVNLWSNO-GASCZTMLSA-N 446.569 3.698 0 40 IHAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 219979257 CFZNIEIUVQRJMG-FQEVSTJZSA-N 444.553 3.512 0 40 IHAB COc1ccc(C)cc1N([C@@H](C)C(=O)Nc1ccccc1Br)S(C)(=O)=O 220329161 APQHGLHWIPGOOF-ZDUSSCGKSA-N 441.347 3.559 0 40 IHAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(OC)cc1 224023682 IVBDDRTXENERGI-QHCPKHFHSA-N 426.557 3.970 0 40 IHAB CN(c1ccc(C(=O)Nc2ccc(C(N)=O)cc2)c(Cl)c1)S(=O)(=O)c1ccccc1 224235705 NQTRVGVORIHLCJ-UHFFFAOYSA-N 443.912 3.516 0 40 IHAB CCN(c1cc(C(=O)OC)ccc1C)S(=O)(=O)c1ccc(OC)c(Br)c1 224883654 BQMWXCRQEJZAPI-UHFFFAOYSA-N 442.331 3.768 0 40 IHAB CCOC(=O)c1cccc(N(CC(=O)OC)S(=O)(=O)c2cc(Cl)ccc2Cl)c1 224943576 SBTGQJZQXOAUQV-UHFFFAOYSA-N 446.308 3.538 0 40 IHAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCOc2ccc(C)c(C)c2)cc1 225181080 LYGRNUSTBSRKNF-KQWNVCNZSA-N 434.492 3.871 0 40 IHAB CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1cccc(C)c1C 225495096 ADZJQXOCHDARMS-MRXNPFEDSA-N 433.346 3.608 0 40 IHAB O=C(Nc1ccc(OCCCN2CCOCC2)cc1)C1(c2ccccc2F)CCOCC1 225571887 PRQYJIMGJWCBIQ-UHFFFAOYSA-N 442.531 3.614 0 40 IHAB COc1cccc(-c2cc(C(=O)N3CC[C@H](Oc4ccc5ccccc5n4)C3)n(C)n2)c1 225739236 XZPVWMCJMVMYBX-FQEVSTJZSA-N 428.492 3.937 0 40 IHAB Cc1nc2c(c(N3CCC(NC(=O)c4cccc(OC(F)(F)F)c4)CC3)n1)CCCC2 225740259 LRUIJDKFETVZQQ-UHFFFAOYSA-N 434.462 3.961 0 40 IHAB COCc1cc(CN2CCO[C@@H](c3cccc(-c4cnc(N)nc4)n3)C2)ccc1OC(C)C 257286522 PLXAPDFGICSFJK-XMMPIXPASA-N 449.555 3.628 0 40 IHAB Cc1cc(Nc2ccc(F)cn2)cc(C2CCN(C(=O)[C@H]3CC(=O)OC3(C)C)CC2)n1 257325263 WSEIMVPGDFLVOI-GOSISDBHSA-N 426.492 3.715 0 40 IHAB COc1cccc(Nc2cc(C)nc([C@H]3CCCN(CC(=O)Nc4nonc4C)C3)c2)c1 257343654 ZTWYRKIOZWUGSB-KRWDZBQOSA-N 436.516 3.652 0 40 IHAB CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]4[C@@H](OC(C)=O)CC(=O)[C@]4(C)CC[C@@H]3[C@]2(C)[C@H](OC(C)=O)C1 257348504 GJEJASFBAXHMOD-OYMZEEHCSA-N 448.556 3.613 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCCN3CCC[C@H](C)C3)cc2)cc1 260561326 BTNKZYPLBUYORE-FQEVSTJZSA-N 443.613 3.672 0 40 IHAB CC[C@H](NC(=O)[C@H](C)N(c1cc(C)ccc1OC)S(C)(=O)=O)c1ccc(OC)c(C)c1 260836982 CGGLATKBJAKGBZ-HKUYNNGSSA-N 448.585 3.743 0 40 IHAB C[C@H](NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl)c1ccccc1 408526683 BTWGBMLYWGFEOR-INIZCTEOSA-N 436.961 3.771 0 40 IHAB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2SC)c(Cl)c1 408557417 MPOASTLECQNKRS-UHFFFAOYSA-N 428.963 3.768 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(O[C@@H](C)C(=O)NC3CCCCC3)cc2)cc1 408609247 MPCODEWBKMTVME-INIZCTEOSA-N 432.542 3.712 0 40 IHAB COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(OC(C)C)cc1)S(C)(=O)=O 408628325 WUYFXWSHKOYXGK-UHFFFAOYSA-N 426.922 3.541 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 408631013 ZCPZUPONJVJXSC-UHFFFAOYSA-N 438.933 3.702 0 40 IHAB CCc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 408656242 IPBHJLWTAMHAAG-PMACEKPBSA-N 434.492 3.724 0 40 IHAB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3ccccc3Cl)C(=O)[C@H]2C1 408665020 ZGNTUXKPZSCBJW-HKUYNNGSSA-N 436.895 3.921 0 40 IHAB CCOc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc(Br)c1O 409244412 CGZJBYWHGFQCCH-CXUHLZMHSA-N 431.286 3.955 0 40 IHAB CC(C)(C)NC(=O)Nc1ccc(Cl)c(-c2nc(-c3ccc(S(N)(=O)=O)cc3)no2)c1 511245671 FNKLDPJBDKPLRT-UHFFFAOYSA-N 449.920 3.624 0 40 IHAB CCCN1CCN(C(=O)c2ncc[nH]2)C[C@@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 585183652 ZDROUHUBFJCLPV-HXUWFJFHSA-N 434.515 3.769 0 40 IHAB COc1ccc2c(c1)CCCN(C(=O)[C@H]1CC(=O)N(c3cc(Cl)ccc3OC)C1)C2 590732846 XIRKKRAHQFHSFL-KRWDZBQOSA-N 428.916 3.685 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)NCC2CC2)cc1)N1CCCC[C@@H]1CC1(O)CCCCC1 1562388189 FUMQIKUNHISDQJ-HXUWFJFHSA-N 449.617 3.847 0 40 IHAB CC(=O)N1CCC(CC(=O)Nc2ccc3ccn(C)c3c2)(N2Cc3ccccc3C2=O)CC1 1565524903 WTPJBZNANDNWDH-UHFFFAOYSA-N 444.535 3.544 0 40 IHAB O=C1COC2(CCN(Cc3cnc(-c4ccccc4)nc3)CC2)CN1c1ccc(F)cc1 2037988627 BEKLHCKWHTWBIL-UHFFFAOYSA-N 432.499 3.681 0 40 IHAB Cc1cc(C)cc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)c1 943969 LFDZYLFEKDQVPS-UHFFFAOYSA-N 440.525 3.529 0 40 IHAB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(OCC)c3O)C2=O)cc1 1006072 GFZJSPWMHFKOJW-LDADJPATSA-N 442.493 3.865 0 40 IHAB CCCCOC(=O)c1ccc(NC(=S)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1 2145979 CZEONOIBXLNPRL-AEFFLSMTSA-N 425.554 3.621 0 40 IHAB biogenic CC(C)OCCCn1c(N)c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc21 2418001 RUKNTYMDOFRAFI-UHFFFAOYSA-N 430.555 3.876 0 40 IHAB CCOC(=O)C1=C(C)N=c2s/c(=C\C=C\c3ccccc3)c(=O)n2[C@@H]1c1ccccc1F 6545008 JYQZTQHUKCMYFI-HFOHEEIUSA-N 448.519 3.603 0 40 IHAB Cc1cccc(Nc2nnc(SCC(=O)NCC(=O)Nc3ccc(F)cc3)s2)c1 8708252 IBDCQLYDLLWHGF-UHFFFAOYSA-N 431.518 3.576 0 40 IHAB C[C@@H](NC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)c1nnc2n1CCCCC2 8726162 FYQOCTMMYQWVIC-IIBYNOLFSA-N 430.508 3.950 0 40 IHAB Cc1ccc2nc(NC(=O)CCNS(=O)(=O)c3ccccc3C(F)(F)F)sc2c1 9120385 DPOHFXRCUPVYRO-UHFFFAOYSA-N 443.472 3.931 0 40 IHAB Cc1cccc(N2N=C(C(=O)N3CCc4cc5c(cc4[C@@H]3C)OCCCO5)CCC2=O)c1 9130484 KUJTZXNCPDBPTO-KRWDZBQOSA-N 433.508 3.785 0 40 IHAB Cc1ccc(CN(c2ccc(C(=O)N3CC(=O)Nc4ccccc43)cc2)S(C)(=O)=O)cc1 9227490 KNKZKVIVURMDBJ-UHFFFAOYSA-N 449.532 3.560 0 40 IHAB Cc1ccc(CNC(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)cc1 9535145 DYSRWLRMVPOXKY-FQEVSTJZSA-N 440.544 3.980 0 40 IHAB O=C(COC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)NCCC1=CCCCC1 9633824 DSGCINMVYHVISU-UHFFFAOYSA-N 431.492 3.549 0 40 IHAB O=C(NCCC1=CCCCC1)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 9671464 XDITUPYAWNMRTK-UHFFFAOYSA-N 428.510 3.836 0 40 IHAB COc1cn(-c2ccccc2)nc1C(=O)OCc1cc2c(cc1Br)OCO2 9795696 ONYJSHZQDRPTQL-UHFFFAOYSA-N 431.242 3.729 0 40 IHAB COc1ccc(C)cc1NC(=O)Cc1csc(NS(=O)(=O)c2ccc(C)cc2)n1 9828600 YAYUSFWRYWDXAQ-UHFFFAOYSA-N 431.539 3.751 0 40 IHAB CCOc1ccc(-c2ccc(OCCNS(=O)(=O)c3cc(C)ccc3C)nn2)cc1 9853104 LHYBGKRYBDVORI-UHFFFAOYSA-N 427.526 3.516 0 40 IHAB O=C(OCC(=O)N1CCN(c2ccc(F)cc2)CC1)C1c2ccccc2Oc2ccccc21 10720262 RUYBCCIESKHCRP-UHFFFAOYSA-N 446.478 3.955 0 40 IHAB Cc1cc(C)cc(-n2c(SCC(=O)N3CCC(C)CC3)nc3c(c2=O)SCC3)c1 12140529 VPQXRLAWURYFPP-UHFFFAOYSA-N 429.611 3.848 0 40 IHAB CC(=O)Nc1ccc(NC(=O)CSc2nnc(NC(=O)c3ccccc3F)s2)cc1 12180611 XOVPOACJCSMJQT-UHFFFAOYSA-N 445.501 3.619 0 40 IHAB COc1ccc(S(=O)(=O)c2c(C)c(C)n(CC(C)C)c2NC(=O)[C@@H]2CCCO2)cc1 12391513 QAJDHMDDTILRGP-IBGZPJMESA-N 434.558 3.720 0 40 IHAB COc1ccccc1N1CCN(C(=O)Cn2c(-c3ccc(Cl)cc3)n[nH]c2=S)CC1 12540734 WFEZLQQVKCPNGZ-UHFFFAOYSA-N 443.960 3.618 0 40 IHAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COc1ccc(Cl)c2ccccc12 12632849 MQKBPDIMTPOXHD-UHFFFAOYSA-N 448.928 3.770 0 40 IHAB COc1ccc(CN(C(=O)c2csnn2)[C@H](C(=O)NC(C)(C)C)c2ccccc2)cc1 12638195 IMMSGSYAHKUECW-FQEVSTJZSA-N 438.553 3.845 0 40 IHAB COc1ccc([C@H](C(=O)NC(C)(C)C)N(Cc2cccs2)C(=O)c2csnn2)cc1 12638357 ICWPAMXVWVTBMS-GOSISDBHSA-N 444.582 3.907 0 40 IHAB O=C(CSc1nnc(NC(=O)c2ccc(F)cc2F)s1)NCc1cccs1 12643483 LCQSHYOABJFEET-UHFFFAOYSA-N 426.495 3.539 0 40 IHAB COc1cccc(OC)c1OC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 12752397 WKSJTHXOJQXJSU-HOTGVXAUSA-N 433.526 3.590 0 40 IHAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3ccc(F)c(F)c3)c12 12777881 SJVNLAQGTVOZHO-AWEZNQCLSA-N 446.479 3.507 0 40 IHAB C[C@H]1C[C@@H](C)CN(C(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)C1 12815663 BOKBCNPWKGMGPN-GASCZTMLSA-N 432.508 3.611 0 40 IHAB C[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)c1ccc(OC(F)F)cc1 12825367 XWZLLMKXJDKDBK-NSHDSACASA-N 432.876 3.683 0 40 IHAB CNC(=O)c1ccc(NC(=O)CSc2ccccc2C(=O)OCC(=O)C(C)(C)C)cc1 12983513 WQRZVXDBYTUYAP-UHFFFAOYSA-N 442.537 3.549 0 40 IHAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(CCOc2cccc(Cl)c2)CC1 13061354 CJONAEDLNFMUIK-UHFFFAOYSA-N 448.894 3.744 0 40 IHAB COc1ccc([C@@]2(C)NC(=O)N(Cc3ccc(F)cc3Br)C2=O)cc1OC 14281999 IIZDVPBELBIHFZ-LJQANCHMSA-N 437.265 3.573 0 40 IHAB COc1ccc(OC)c(NC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)c1 15390743 VCEZQAPRFPVBIH-KRWDZBQOSA-N 432.542 3.584 0 40 IHAB O=C(CNC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)Nc1ccc(F)c(F)c1 15538212 CQNNLOWGGWIHIX-NRFANRHFSA-N 436.414 3.788 0 40 IHAB Cc1ccc(CN(C(=O)c2cc(=O)c3ccc(C)c(C)c3o2)[C@H]2CCS(=O)(=O)C2)cc1 15831308 ZZMVVEVBUCEGMV-IBGZPJMESA-N 439.533 3.548 0 40 IHAB CCCCCOc1ccc(/C=c2\sc3nc([C@H]4COc5ccccc5O4)nn3c2=O)cc1 16742070 QVAXQMHTTGOUOW-PLDFPGSMSA-N 449.532 3.780 0 40 IHAB CC(C)(C)c1ccc(OCC(=O)N2CCC[C@@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)cc1 19084496 QBRCRSDRNAOELL-AYOQOUSVSA-N 447.530 3.884 0 40 IHAB O=C1CCCN1CC(=O)N1CCC[C@H]1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1 19373230 ZAOUCYHYCIRIHW-NRFANRHFSA-N 442.523 3.568 0 40 IHAB CC[C@@H](C(=O)N1CCC(O)(Cn2cnc3sc(C)c(C)c3c2=O)CC1)c1ccccc1 19500527 OLOJCRAOOVWFIN-LJQANCHMSA-N 439.581 3.622 0 40 IHAB CCOc1ccccc1C(=O)N1CC[C@@](Cc2ccccc2-c2cccnc2)(C(=O)NC)C1 19520023 RCEBZOLJJDYNPV-MHZLTWQESA-N 443.547 3.968 0 40 IHAB Cc1nc(N(C)C)ncc1C(=O)N1CCC[C@@H](c2cc(C(F)(F)F)c3c(C)noc3n2)C1 19552697 KHLYARMDYBWLKS-CYBMUJFWSA-N 448.449 3.734 0 40 IHAB CN(C)C(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CCCN(C(=O)c2ccccn2)C1 19579304 KTSOKESXGUJXEJ-AREMUKBSSA-N 428.536 3.697 0 40 IHAB CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@@H]2CCCN2C(=O)CCC2CCCC2)n1 19689752 JSYCZHWSUXCHGQ-NRFANRHFSA-N 435.572 3.942 0 40 IHAB COc1ccc(CN2C(=O)CCCC[C@@H]3[C@@H]2CCN3Cc2ccnc(N3CCCC3)n2)cc1 19713106 HVAMXLXEICMECU-RPWUZVMVSA-N 449.599 3.631 0 40 IHAB COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)C[C@H]1C(=O)Nc1ccccc1OC 19819108 IEFPYPPDQJLTPC-MRXNPFEDSA-N 428.872 3.787 0 40 IHAB CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 20017630 SQOKSLHJEGTNEF-SNVBAGLBSA-N 432.386 3.724 0 40 IHAB CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)c1 20035497 GRZUURFKKLZXHR-UHFFFAOYSA-N 444.553 3.740 0 40 IHAB COc1ccc(Cl)cc1C(=O)Nc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)cc1 20529069 ZHBLLYORNZGYPK-UHFFFAOYSA-N 441.837 3.812 0 40 IHAB C[C@H](c1nc2ccccc2s1)N1CCN(C(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)CC1 22298658 GHFGEPHVCAIRPP-RHSMWYFYSA-N 438.528 3.767 0 40 IHAB CCOc1ccc(CCCNC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 22337671 KBHNSUWHNSEUQK-UHFFFAOYSA-N 438.977 3.562 0 40 IHAB CC[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1)c1ccc(OC)cc1 22517695 SFHPJANJLYFPOS-QFIPXVFZSA-N 448.560 3.644 0 40 IHAB C/C=C/c1ccc(OCC(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(OC)c1 24601334 CKQZUBAEZRZRHL-ONEGZZNKSA-N 435.446 3.870 0 40 IHAB O=C(Nc1c(-c2ccccc2)nc2sccn12)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 24785241 TYFPQSMULMKUIE-OAHLLOKOSA-N 446.488 3.783 0 40 IHAB C[C@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)N(C)Cc1ccccc1OC(F)(F)F 25534142 JIQKHRGTJDWJKX-LLVKDONJSA-N 441.475 3.693 0 40 IHAB COc1cccc(CN(C(=O)CN(C)Cc2cnn(C)c2)C23CC4CC(CC(C4)C2)C3)c1 32540097 PRKMPNHWEKQDBL-UHFFFAOYSA-N 436.600 3.858 0 40 IHAB O=C(Nc1nc2cc3c(cc2s1)OCCO3)c1ccc2c(=O)n3c(nc2c1)CCCCC3 32719637 VAISXFYCDSUWCG-UHFFFAOYSA-N 448.504 3.756 0 40 IHAB O=C(COc1ccccc1CNC(=O)c1cc2cc(Cl)ccc2o1)NC[C@@H]1CCCO1 32937030 JVPKFBJSDGYVLO-SFHVURJKSA-N 442.899 3.690 0 40 IHAB CN(C[C@@H]1COc2ccccc2O1)C(=O)CNC(=O)c1sc2ccccc2c1Cl 33024126 RUDYEINPHBIWEU-CYBMUJFWSA-N 430.913 3.583 0 40 IHAB CCOc1ccccc1-c1nc(Cn2nnc(C(=O)Nc3ccc(F)cc3)c2N)c(C)o1 33291726 JQLADZDRMSIAGX-UHFFFAOYSA-N 436.447 3.662 0 40 IHAB CCOc1ccc(C2=NC(=O)[C@@H](CC(=O)Nc3cccc(C(C)=O)c3)S2)cc1OC 35685022 FNNLZPBARDTBRJ-LJQANCHMSA-N 426.494 3.714 0 40 IHAB COc1ccc(-c2cc(C(=O)NC[C@@H](C)Cn3nc(C)cc3C)c3c(C)nn(C)c3n2)cc1 36613313 LCTYQBNHOUNIMO-OAHLLOKOSA-N 446.555 3.832 0 40 IHAB C[C@H](NC(=O)COC(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1ccc(Cl)c(Cl)c1 39476328 XDRUDNJICZGYPJ-LBPRGKRZSA-N 449.290 3.681 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1 39742707 KEMIQPGKTFDFGE-UHFFFAOYSA-N 443.613 3.876 0 40 IHAB O=C(CSc1ccc(F)c(F)c1)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 58156851 GQDZFUUDOBBGDQ-SFHVURJKSA-N 446.567 3.513 0 40 IHAB C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)N3CCC[C@@H]3c3ccsc3)cc2)C[C@@H](C)O1 58217160 WZSUWSHNYUHMRI-JXXFODFXSA-N 449.598 3.915 0 40 IHAB CC(C)(C)OC(=O)NC[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1 72054770 MBDPODRKVKVACV-NSHDSACASA-N 439.397 3.579 0 40 IHAB COc1cccc(CCNC(=O)[C@H]2C[C@H]3CC[C@]2(C)C[C@]32NC(=O)c3ccccc3N2)c1 72326979 KJXRPELNEPVHAC-ZMSGYCMXSA-N 433.552 3.732 0 40 IHAB COc1ccccc1OCCc1cc([C@H]2CCN(C(=O)c3ccc4[nH]c(C)nc4c3)C2)n[nH]1 72371445 MSHFZMVKOHXBQE-SFHVURJKSA-N 445.523 3.854 0 40 IHAB CN(C)S(=O)(=O)N1CCCC[C@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C(C)(C)C)N2 72389871 SLDXVJQKUBJQLG-SOUVJXGZSA-N 437.532 3.550 0 40 IHAB C[C@@H](NS(=O)(=O)c1ccc2oc(=O)ccc2c1)c1noc(-c2ccc(Cl)cc2)n1 79044777 FPKFVPUOVVLARO-LLVKDONJSA-N 431.857 3.536 0 40 IHAB COC(=O)N[C@H](CC(C)C)C(=O)N1CCC(Oc2cccc(Br)c2)CC1 95940339 KJVGLUHJARIZGS-QGZVFWFLSA-N 427.339 3.590 0 40 IHAB COc1ccc(-c2cc(N3CCC(NC(=O)c4cc(OC)cc(OC)c4)CC3)[nH]n2)cc1 98212754 NDUKEQVVLOHTEW-UHFFFAOYSA-N 436.512 3.501 0 40 IHAB O=C(OCc1ccccc1)[C@H]1[C@@H]2C=C[C@]3(CN(c4cccc(C(F)(F)F)c4)C(=O)[C@H]13)O2 100168796 VYTHPKMZKZLIDA-ZVVDCOBXSA-N 429.394 3.735 0 40 IHAB CCC(=O)N1CCCC[C@H]1c1cc2nc3c(c(O)n2n1)CN(Cc1ccsc1)CC3 100233836 QGBJQVNCQQFEQL-IBGZPJMESA-N 425.558 3.518 0 40 IHAB CCOc1ccc(N2C(=O)C[C@H](NCCCN3CCC(Cc4ccccc4)CC3)C2=O)cc1 100981066 RDGCKXWYERWUKS-VWLOTQADSA-N 449.595 3.652 0 40 IHAB CC[C@@H](C(=O)NCCSC(C)(C)C)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 220748630 AGSLEGYCWADPHT-HNNXBMFYSA-N 437.027 3.541 0 40 IHAB O=C(NCCOc1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 224407718 GCUXCPNIRHEHKT-UHFFFAOYSA-N 430.913 3.950 0 40 IHAB CCOC(=O)CN(c1cccc(C(=O)OCC)c1C)S(=O)(=O)c1ccc(Cl)cc1 224719722 USSSRGYOVHUBDP-UHFFFAOYSA-N 439.917 3.584 0 40 IHAB CCn1c(=O)sc2cc(NS(=O)(=O)c3ccc(SC)c(NC(C)=O)c3)ccc21 225125860 YPMOSVNOUJSHID-UHFFFAOYSA-N 437.568 3.564 0 40 IHAB COCCn1cnc2cc(C(=O)N3CCC[C@@H]3c3nc(Cc4ccc(F)cc4)n[nH]3)ccc21 257219836 DIJGZNBIRKLYAF-OAQYLSRUSA-N 448.502 3.508 0 40 IHAB CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2CC3(CCN(C(=O)CCc4cccc(F)c4)CC3)CO2)O1 257221133 DNQHSRQZJKGQOG-AWRGLXIESA-N 433.564 3.865 0 40 IHAB CNC(=O)c1sc2ccccc2c1[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2C)C1 257327816 XCVSDTMXBRWGNT-AWEZNQCLSA-N 432.542 3.887 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)NC2CCCCCC2)C1 408562008 WWXVEZJMUGDFAO-HNNXBMFYSA-N 428.982 3.588 0 40 IHAB CCCC[C@H](C(=O)OCC(=O)Nc1cccc(Cl)c1)N1C(=O)c2ccccc2C1=O 408663777 OSNNWHVOSCDJNT-GOSISDBHSA-N 428.872 3.677 0 40 IHAB CCc1cccc(C)c1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(F)ccc2OC)C1 408713806 YRXKTAHKHOFLQR-KRWDZBQOSA-N 434.533 3.745 0 40 IHAB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cccn2-c2cccc(Br)c2)C1=O 409074212 SLYMBCLRPIPEIQ-KBVGCWLLSA-N 435.299 3.838 0 40 IHAB Cc1cccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)N[C@H](C)c3ccccc3)n2C)c1 409141783 IYJNDHPIFGSIMQ-SJORKVTESA-N 437.569 3.584 0 40 IHAB Cc1ccc(CSCc2nnc(SCC(=O)Nc3ccc(C(=O)O)cc3)n2C)cc1 409365142 YXEWQOBDUGHJAI-UHFFFAOYSA-N 442.566 3.986 0 40 IHAB O=C(Nc1ncc(-c2ccccc2)s1)N1CCN(Cc2nc(O)c3ccccc3n2)CC1 518954805 LWFMFXANGAXCDL-UHFFFAOYSA-N 446.536 3.809 0 40 IHAB O=C(NCCN1CCc2ccccc2C1)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 523292662 UGSVVSZVAFMTGI-NRFANRHFSA-N 449.530 3.823 0 40 IHAB COCCOc1ccc(Cl)cc1-c1noc(Cn2cc(C(N)=O)c3ccccc32)n1 545045541 QQOMYPQRYPLFFF-UHFFFAOYSA-N 426.860 3.517 0 40 IHAB CO[C@@H](C(=O)N1CCC(c2cn3cccc3c(Nc3cc(C)[nH]n3)n2)CC1)c1ccccc1 585263135 OFWIJLUSJVJLBI-HSZRJFAPSA-N 444.539 4.203 0 40 IHAB Cc1nc(Nc2nc(C)c(C)s2)cc([C@@H]2CCCN(C(=O)/C=C/c3cnn(C)c3)C2)n1 585291472 QGIIBQNZBPOCRV-LKGOPFMKSA-N 437.573 3.755 0 40 IHAB Cc1noc(C)c1CN1CC[C@@](C)(O)[C@@H](NC(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1 604383249 PVTTVQGPIPDMHZ-SONWIMMPSA-N 437.515 3.927 0 40 IHAB biogenic,in-vitro CC(C)CCN1[C@H]2CC[C@@H]1CCNc1ccccc1CN(C(=O)CCCn1cncn1)C2 643567835 YZVWQJQFLLBBGV-PKTZIBPZSA-N 438.620 3.782 0 40 IHAB CCOC(=O)c1cnn2ccc(NC(=O)[C@H](OC)c3ccccc3Br)cc12 1289262437 UOCYSLVWAGLJIS-QGZVFWFLSA-N 432.274 3.600 0 40 IHAB CC(C)Cc1ccc([C@H](C)c2nn3c(C4CCN(S(C)(=O)=O)CC4)nnc3s2)cc1 1505838463 UFNUWJJVLLRNRB-HNNXBMFYSA-N 447.630 3.675 0 40 IHAB CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3ccsc3Cl)cc2)s1 1556478173 RWMILSWCXXYAJF-UHFFFAOYSA-N 428.948 3.869 0 40 IHAB COc1ccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)C[C@@H]2CCCO2)cc1OC 790298 RNWCUOABXSZSSO-FQEVSTJZSA-N 436.508 3.675 0 40 IHAB COc1ccc(CCCc2nnc(SCC(=O)Nc3nc(C)cs3)n2C)cc1C 813907 BVJCQSOEKNDNGF-UHFFFAOYSA-N 431.587 3.803 0 40 IHAB O=C(c1cccc(NC2=C(Cl)C(=O)N(CCc3ccccc3)C2=O)c1)N1CCCCC1 1953560 CSUDPGAKLQXVRF-UHFFFAOYSA-N 437.927 3.787 0 40 IHAB O=C(COC(=O)c1ccc(I)cc1)Nc1ccccc1OC(F)F 3283924 FRWFERZDNWECCZ-UHFFFAOYSA-N 447.175 3.688 0 40 IHAB CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C 4743622 ZGSRADNVNCTCOP-IFIMTULTSA-N 446.584 3.943 0 40 IHAB in-vitro COc1ccc2cc(CN(Cc3ccccc3)C(=S)NC[C@@H]3CCCO3)c(=O)[nH]c2c1 6282797 DWQIFFOKQDOCOS-NRFANRHFSA-N 437.565 3.592 0 40 IHAB COc1cc(NC(=O)CN2C(=O)C(c3ccc(C)cc3)=NC23CCCCC3)cc(OC)c1 8611319 UUTQRIWLICZIGU-UHFFFAOYSA-N 435.524 3.943 0 40 IHAB COc1cc(NC(=O)[C@@H]2CCCN(C(=O)c3cc4ccccc4[nH]3)C2)cc(OC)c1OC 9048554 TZJTWQLHIZLKRB-MRXNPFEDSA-N 437.496 3.685 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)/C=C/c1cnc2ccccc2n1 9127340 AFPKCMFZHXIRDC-ZRDIBKRKSA-N 436.537 3.765 0 40 IHAB CCN1C(=O)c2cc(NC(=O)CN3C(=O)c4ccccc4C3=O)ccc2Oc2ccccc21 9134748 IMUSQOZQVVUMHQ-UHFFFAOYSA-N 441.443 3.694 0 40 IHAB CCOc1ccc(C(=O)NC(=S)Nn2c(CC)nnc2SCc2ccccc2)cc1 9142239 KFOBHAMDKXZWAP-UHFFFAOYSA-N 441.582 3.790 0 40 IHAB CSc1ccccc1NC(=O)CSc1nnc(CNC(=O)c2cccc(C)c2)n1C 9263276 ZDHOGMYDIMJQFI-UHFFFAOYSA-N 441.582 3.506 0 40 IHAB CCN(CC)CCCNC(=O)CN1C(=O)c2ccccc2[C@@H]1c1cn(C)c2ccccc12 9289190 PIMWFPVRDXQRQB-RUZDIDTESA-N 432.568 3.572 0 40 IHAB COc1cc(OC)c2c(C)c(CC(=O)Nc3cc(Cl)c(OC)cc3OC)c(=O)oc2c1 9302883 JPAFNGCLOBSYOE-UHFFFAOYSA-N 447.871 3.970 0 40 IHAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccco3)c(C)c2)cc1C 9356518 KSRAVRGJFQTVRJ-UHFFFAOYSA-N 428.510 3.701 0 40 IHAB C[C@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)C(=O)NC[C@@H](O)c1ccccc1 9449831 BABOHPLXPKWQIW-VBKZILBWSA-N 441.911 3.942 0 40 IHAB CCOc1ccc(CCNC(=O)COC(=O)CSc2ccc(F)cc2)cc1OCC 9466017 SBPOKDPFZJGLMB-UHFFFAOYSA-N 435.517 3.617 0 40 IHAB C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2)C1=O)c1ccc2c(c1)CCCC2 9496038 RDVVSNQYKNHVGA-OWJWWREXSA-N 439.943 3.863 0 40 IHAB O=C(COC(=O)CNC(=O)c1ccccc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 9582745 QZNZEFSANVNECD-UHFFFAOYSA-N 448.319 3.636 0 40 IHAB CC[C@H](C)NC(=O)CCc1nnc2n(Cc3ccccc3Cl)c(=O)c3ccccc3n12 9831525 BFIWWLAMXXNIBH-HNNXBMFYSA-N 437.931 3.593 0 40 IHAB CN1CCN(c2ccc(-c3cccc(NC(=O)COc4ccc(Cl)cc4)c3)nn2)CC1 10186594 DJZHAASERPCPFC-UHFFFAOYSA-N 437.931 3.566 0 40 IHAB COc1ccc(CCNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)cc1 11332988 PUFVIJYJZIYSEM-UHFFFAOYSA-N 428.485 3.608 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(-c3csc4nc(C)cc(=O)n34)cc2)cc1F 11696396 RUDVOIXPZYDQPV-UHFFFAOYSA-N 445.497 3.680 0 40 IHAB CC(C)(C)c1ncc(C(=O)N2CCC[C@@H](c3nc4ccc(F)cc4cc3C(N)=O)C2)cn1 12219957 CJDJWYMBRPPSCD-CQSZACIVSA-N 435.503 3.580 0 40 IHAB CCN(CCN(C)C)c1nc(-c2cccnc2)nc2c1CCN(Cc1ccc(F)cc1)C2 12233224 WZIVCNUNNPAUSA-UHFFFAOYSA-N 434.563 3.624 0 40 IHAB COc1ccc(Cl)c2sc(N3CCN(C(=O)c4ccc5c(c4)OCCO5)CC3)nc12 12345094 IPPRUKMQZRXKDB-UHFFFAOYSA-N 445.928 3.692 0 40 IHAB C[C@@H](OC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)C(=O)N1CCc2ccccc21 12732602 PANXEFGMVVKCTJ-OAHLLOKOSA-N 447.457 3.838 0 40 IHAB COc1ccc(C(=O)Nc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2O)c(O)c1 12757335 FNLIEFNWPMFLDQ-UHFFFAOYSA-N 448.884 3.813 0 40 IHAB O=C(COc1ccccc1Cc1ccccc1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 12776246 BXZSYHJCNDVUQS-JOCHJYFZSA-N 427.566 3.615 0 40 IHAB COC(=O)c1ccc(OC[C@H](O)CN2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 12857348 UEKVKIUUCNQONB-QZTJIDSGSA-N 426.538 3.702 0 40 IHAB C[C@@H](NC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1)c1ccc(-n2cncn2)cc1 12913534 PANVOYNHFHPEQS-XLIONFOSSA-N 425.492 3.651 0 40 IHAB COC[C@H](C)NC(=S)NC[C@H](c1cccc(OC)c1OC)c1c[nH]c2ccccc12 13057972 USQITYHTFRBVAH-HNAYVOBHSA-N 427.570 3.816 0 40 IHAB COc1ccccc1/C=C(/C(=O)OCC(=O)NC(=O)NC1CCCCC1)c1ccccc1 13100585 XQKNNNKRAMMHDN-LTGZKZEYSA-N 436.508 3.938 0 40 IHAB O=C(Nc1cccc(Cl)c1)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 13138783 NIACPDWVLRKFCV-OAHLLOKOSA-N 429.325 3.703 0 40 IHAB CCS(=O)(=O)N1CCCc2cc(C(=O)Nc3ccc(Br)cc3F)ccc21 13584042 JIMQTGDDLXGQTC-UHFFFAOYSA-N 441.322 3.943 0 40 IHAB O=C(NCCNC(=O)c1ccccc1Cl)c1ccc(NC(=O)c2ccc(F)cc2)cc1 13854867 GJPKPSUAGKJMGU-UHFFFAOYSA-N 439.874 3.891 0 40 IHAB CC(C)OC(=O)C[C@H](NC(=O)CCNC(=O)NC1CCCCC1)c1ccccc1Cl 14166399 KFHUZNPEUNCPAG-IBGZPJMESA-N 437.968 3.861 0 40 IHAB COC(=O)c1ccc(C)c(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)c1 15922624 SEUBWYNMCMYHPQ-UHFFFAOYSA-N 442.468 3.974 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)NC[C@H](c1ccccc1)N(C)C 16599223 QYVJZEBCFRMZEI-WMZHIEFXSA-N 443.613 3.591 0 40 IHAB O=C(Nc1ccccc1)C1CCN(C(=O)Cn2c(C(F)(F)F)nc3ccccc32)CC1 16695801 NTQKHGWDYNBATO-UHFFFAOYSA-N 430.430 3.932 0 40 IHAB Cc1cc2nc([C@H]3CCCN(C(=O)Cc4ccc5c(c4)OCO5)C3)cc(C(F)(F)F)n2n1 19129068 FNSHWBOJNUZNME-HNNXBMFYSA-N 446.429 3.734 0 40 IHAB O=C(CN1Cc2ccccc2C1)NCCn1ncc(-c2ccncc2)c1-c1ccc(F)cc1 19375544 BVWZTATYYFXSOG-UHFFFAOYSA-N 441.510 3.883 0 40 IHAB COc1ccc(-c2ccc(C[C@]3(C(N)=O)CCCN(C(=O)Cc4cccnc4)C3)cc2)cc1 19558241 BZUYBQYBSZBPIN-HHHXNRCGSA-N 443.547 3.637 0 40 IHAB COc1ccc2c(c1)C[C@@H](C(=O)N1CCC(c3ccc(-c4ccc(N)nc4)cn3)CC1)CO2 19688050 QGBKCSARWWJKDF-OAQYLSRUSA-N 444.535 3.692 0 40 IHAB COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CCCN(C(=O)CCn3ccnc3C)C2)c1 19693918 KTYXRRYOSCQRON-HXUWFJFHSA-N 448.571 3.519 0 40 IHAB CN(C)c1ncc(-c2cccc(F)c2)c([C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)n1 19694506 MOWHHENTXGZLHE-SFHVURJKSA-N 440.544 3.917 0 40 IHAB Cc1ncc(C(=O)NC2CCCCC2)c([C@H]2CCCN2C(=O)Cn2ccnc2C(C)C)n1 19767172 XLDVJZXPUKOZHH-HXUWFJFHSA-N 438.576 3.531 0 40 IHAB O=S(=O)(c1ccc2ccccc2c1)N1CCN(CCOc2ccc(Cl)cc2)CC1 19868617 QIRPCGSFJVLZEI-UHFFFAOYSA-N 430.957 3.879 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(F)ccc3F)CC2)cc1C 20017271 MOWHUKBCBSZAHJ-UHFFFAOYSA-N 438.496 3.711 0 40 IHAB COC(=O)c1ccc(N2C(=O)c3ccc(C(=O)Nc4ccccc4OC)cc3C2=O)cc1 20095912 YYGXNLNTZNYKMC-UHFFFAOYSA-N 430.416 3.535 0 40 IHAB COc1ccc(-c2cc(C(=O)Nc3ccc(C)c(Cl)c3)n[nH]2)cc1S(=O)(=O)N(C)C 20096155 WCTGFKWSRXWQEN-UHFFFAOYSA-N 448.932 3.550 0 40 IHAB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2ccc(OC(F)F)cc2)n2nnnc2N1 20133950 YGAOUXQHNVTPJS-GOSISDBHSA-N 426.427 3.819 0 40 IHAB COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)[C@]2(C)CC2(Cl)Cl)c1 22196795 LMVLVPYYLUXEMS-KRWDZBQOSA-N 445.324 3.724 0 40 IHAB Cc1ccc([C@H](CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)N2CCN(C)CC2)o1 22938479 VASFEFNQZBFEMO-IBGZPJMESA-N 428.920 3.615 0 40 IHAB Cc1oc2nc[nH]c(=O)c2c1C(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 22991111 KJNYMOGMONIKLQ-UHFFFAOYSA-N 439.475 3.666 0 40 IHAB CCOC(=O)C1CCN([C@@H](c2cccc(Cl)c2)c2sc3nc(C)nn3c2O)CC1 23157715 XRCBDDKQEOBNJL-INIZCTEOSA-N 434.949 3.823 0 40 IHAB CCOC(=O)c1cnc(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)nc1N 25108132 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CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc3nsnc3c2)cc1OC 57313262 RBMIRDLHOZYIQU-UHFFFAOYSA-N 443.554 3.955 0 40 IHAB O=C(Nc1ccnc(Sc2ccccn2)c1)c1ccc(=O)n(CCOc2ccccc2)n1 58166386 QBOTXLMZXVJHLF-UHFFFAOYSA-N 445.504 3.516 0 40 IHAB COc1cccc(-c2csc3ncc(C(=O)Nc4ccc(OC)c(OC)c4)c(=O)n23)c1 64787949 BZBLNDABUNWVGS-UHFFFAOYSA-N 437.477 3.701 0 40 IHAB O=C1N[C@]2(COC3(CCN(Cc4ccc(Br)s4)CC3)C2)Nc2ccccc21 72325436 GZWZBDYAFLGFHR-HXUWFJFHSA-N 448.386 3.817 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1CCc1nn2c(=O)c(-c3ccccc3)nnc2s1 72333604 SKOBVFWXZMABNZ-UHFFFAOYSA-N 428.521 3.801 0 40 IHAB Cc1nc(CC(=O)N2CCC[C@H]2c2nc(C)c3c(n2)N(Cc2ccccn2)CCC3)cs1 72372920 NDMDQTJGOGXRFO-NRFANRHFSA-N 448.596 3.804 0 40 IHAB CC(=O)Nc1ccc(S(=O)(=O)NC[C@](C)(O)c2ccc(-c3ccccc3)cc2)c(C)c1 77102254 NSMBELFUOOHMJI-DEOSSOPVSA-N 438.549 3.806 0 40 IHAB Cc1ccc(C(=O)N2CCC(NC(=O)COc3ccc(Br)cc3)CC2)cc1 89629600 OQLMVXMWHVLHIX-UHFFFAOYSA-N 431.330 3.557 0 40 IHAB CC(C)C(=O)N1CCc2nc3cc([C@@H]4CCCCN4Cc4cccs4)nn3c(O)c2C1 100233860 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CN(c1ccccc1F)S(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)OCCO3)c1 224156293 WILMRZXUYDMKKP-UHFFFAOYSA-N 442.468 3.674 0 40 IHAB CC[C@H](C(=O)NCCc1ccc(Cl)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 224305941 QMSPXYIHXAUNEU-GOSISDBHSA-N 429.369 3.897 0 40 IHAB CCc1ccccc1N(CCCC(=O)NCCOc1ccc(Cl)cc1)S(C)(=O)=O 224660296 HMKSYZGVJZJUAC-UHFFFAOYSA-N 438.977 3.644 0 40 IHAB CCOC(=O)CN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224969616 LGFLUJIWJDULLQ-UHFFFAOYSA-N 441.933 3.894 0 40 IHAB CC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccc(OC)c(C)c1 225484471 WVGJLRKHWYUZSO-JOCHJYFZSA-N 444.597 3.980 0 40 IHAB CNc1cc([C@H](Cc2c[nH]c3ccccc23)NC(=O)Cc2ccccn2)nc(C2CC2)n1 257291247 QGGCAECCUZDYAZ-NRFANRHFSA-N 426.524 3.915 0 40 IHAB CN(c1ccc(C(=O)NC[C@H]2CCCO2)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 260566901 ZHSJMIYTSZNCGW-OAHLLOKOSA-N 443.352 3.727 0 40 IHAB CCc1ccc(N([C@H](C)C(=O)Nc2nnc(SCC(C)C)s2)S(C)(=O)=O)cc1 260763789 GEURCVDWYSPDSF-CYBMUJFWSA-N 442.632 3.642 0 40 IHAB O=C(Cc1ccc(F)cc1)N1CCc2nc3cc(COc4cccc(F)c4)nn3cc2C1 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IHAB Cc1cnc(Nc2cccc([C@H]3CN(C(=O)Cn4cnc5ccccc54)CCO3)n2)s1 643550244 ANSRXTSGDLIMJR-LJQANCHMSA-N 434.525 3.540 0 40 IHAB O=C(CCCn1cccn1)N1CCOCCOc2ccc(F)cc2Cc2cccc(c2)C1 643582144 SKPRDKIXGCGRJQ-UHFFFAOYSA-N 437.515 3.831 0 40 IHAB COCCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@@H]1c1ccc(Cl)cc1Cl 2257805 PTMJCYVJVQEGHS-MEBBXXQBSA-N 429.325 3.832 0 40 IHAB CCCCc1ccc(NC(=O)C(=O)c2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1 3007735 SONFQOSJCPGASO-UHFFFAOYSA-N 447.535 3.664 0 40 IHAB COc1ccc(-c2cc(C(=O)OCn3nnc4ccccc4c3=O)c3ccccc3n2)cc1 3250731 ZZFUHQJUJTXARV-UHFFFAOYSA-N 438.443 3.830 0 40 IHAB C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)NC2CCCCCCC2)C1=O 3563644 RXGONSFLDQSEMC-FQEVSTJZSA-N 426.344 3.990 0 40 IHAB O=C(CSc1nnnn1-c1ccc(O)cc1)N1c2ccccc2OC[C@H]1c1ccccc1 8945165 LQCPLAQXVCAVRE-FQEVSTJZSA-N 445.504 3.627 0 40 IHAB Cc1c(NC(=O)[C@@H](C)OC(=O)c2cccc(C(F)(F)F)c2)c(=O)n(-c2ccccc2)n1C 9124752 CFCVHTISBLYSQN-CQSZACIVSA-N 447.413 3.687 0 40 IHAB CCCSc1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1-c1cccc(OC)c1 9283810 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Cc1cccc(-n2ncc3c(O)nc(-n4nc(C)cc4NC(=O)Cc4cccs4)nc32)c1 11695404 CRUQAPMJKWCOPJ-UHFFFAOYSA-N 445.508 3.566 0 40 IHAB Cc1ccc(CN(C(=O)c2cc(-c3ccc(C)c(F)c3)on2)[C@@H]2CCS(=O)(=O)C2)cc1 11916981 YDAFQTWDAMHXAE-LJQANCHMSA-N 442.512 3.927 0 40 IHAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)Cn4nc(C)cc4C)C3)cc2N1 12183558 PTOWHMPXRJYFHI-JFIYKMOQSA-N 438.498 3.800 0 40 IHAB COc1ccc(NC(=O)CN2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)cc1Cl 12562205 MEINQBHETVKXAJ-OAQYLSRUSA-N 443.931 3.567 0 40 IHAB O=C(c1ccc(Cl)cc1)N1CCCC[C@H](Sc2nnnn2Cc2cccs2)C1=O 12679608 PPJPGHUBHQINMK-INIZCTEOSA-N 447.973 3.750 0 40 IHAB O=C(c1cccs1)N1CCN(CC(=O)N2c3ccccc3OC[C@H]2c2ccccc2)CC1 12745538 DTVPFOOILKOOIM-NRFANRHFSA-N 447.560 3.673 0 40 IHAB CCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1 12767562 SJQJWLAERQGYOM-UHFFFAOYSA-N 443.352 3.539 0 40 IHAB COc1ccc(-c2csc(NC(=O)c3ccc4c(c3)C(=O)N(C)C4=O)n2)cc1Cl 12775275 LGFZGNAFMASOJQ-UHFFFAOYSA-N 427.869 3.950 0 40 IHAB CC(C)CNC(=O)c1ccccc1NC(=O)COC(=O)/C=C/c1cccc2cccnc12 12862161 OFFIRKCZSWHFBX-OUKQBFOZSA-N 431.492 3.816 0 40 IHAB Cc1c(C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)oc2ccc(Cl)cc12 13001159 GNUUBBFXGLRZDQ-UHFFFAOYSA-N 429.879 3.930 0 40 IHAB O=C(CCCNC(=O)c1cccs1)Nc1ccc(N2CCc3sccc3C2)nc1 13003805 LKXYIBPCFUOFSK-UHFFFAOYSA-N 426.567 3.916 0 40 IHAB CCOC(=O)c1c(NC(=O)CN(C)Cc2ccc(C(C)C)cc2)sc(C(=O)NC)c1C 13042245 ZDKQZPJFGLAYRG-UHFFFAOYSA-N 445.585 3.787 0 40 IHAB CCOc1ccc(-c2cc(=O)n(CC(=O)Nc3ccc(OC(F)(F)F)cc3)cn2)cc1 13809269 NAEHWQXIYQFCPE-UHFFFAOYSA-N 433.386 3.846 0 40 IHAB COc1ccccc1-n1nnnc1SCC(=O)N(Cc1ccco1)C1=CCCCC1 14086379 FPWYRHYITULJGF-UHFFFAOYSA-N 425.514 3.843 0 40 IHAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 14197526 DLWUUWHOWJENBQ-OAHLLOKOSA-N 429.480 3.790 0 40 IHAB O=C(C[C@H]1C=CCC1)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 14248129 FOVCTGGZLWQWQR-ZDUSSCGKSA-N 436.883 3.548 0 40 IHAB CCn1c(=O)c(C)nc2cc(C(=O)N3CCC[C@H]3c3ccc4c(c3)OCCCO4)ccc21 14251131 OXXXVKQJMQNUGF-FQEVSTJZSA-N 433.508 3.863 0 40 IHAB O=C(Nc1nccs1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCC1 14461542 UKUBSECQERQMKO-UHFFFAOYSA-N 434.587 3.560 0 40 IHAB CCc1ccc(S(=O)(=O)NCCc2csc3nc(-c4ccccc4F)nn23)cc1 15783933 QUQICDXRQYPNBU-UHFFFAOYSA-N 430.530 3.680 0 40 IHAB CSCC[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)N1C(=O)c2ccccc2C1=O 15990747 CLZDRZIXVWAGAL-LJQANCHMSA-N 446.956 3.595 0 40 IHAB COc1cccc(NC(=O)Cn2c(C)cc(C)c(-c3nc(-c4ccc(F)cc4)no3)c2=O)c1 16840351 UNEONNPISRHXQW-UHFFFAOYSA-N 448.454 3.969 0 40 IHAB COc1cc(NC(=O)Cn2cccc(-c3nc(-c4ccc(C)cc4)no3)c2=O)cc(OC)c1 16843471 CABGDAKSEMQUIV-UHFFFAOYSA-N 446.463 3.530 0 40 IHAB COC(=O)c1ccc(N2C(=O)C[C@H](N3CCC(CCCc4ccccc4)CC3)C2=O)cc1 18220149 BLIOYRUWGJMEOB-QHCPKHFHSA-N 434.536 3.840 0 40 IHAB COc1ccc(-n2c(SCC(=O)NCc3ccccc3F)nc3ccccc3c2=O)cc1 19009522 VDMDPGPERLMRNR-UHFFFAOYSA-N 449.507 3.942 0 40 IHAB COc1cccc(CC(=O)N[C@H](Cc2cc(O)n3nc(C)cc3n2)c2ccc(F)cc2)c1 19129859 ADVHQUSNJJLCFD-OAQYLSRUSA-N 434.471 3.534 0 40 IHAB O=C(C1CCCCC1)N1CCC[C@H]1c1cc2nc3c(c(O)n2n1)CN(C1CCCC1)CC3 19292131 WSDJYHACSINBTB-QFIPXVFZSA-N 437.588 3.979 0 40 IHAB O=C(c1cc[nH]n1)N1CC[C@@H](c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)C1 19344213 VGUYALZRRWOHAT-LLVKDONJSA-N 432.431 3.829 0 40 IHAB NC(=O)[C@@H]1CCCN(C(=O)C2(Cc3ccccc3-c3ccc(F)c(F)c3)CCOCC2)C1 19348499 VFRWPXBBCTTWFS-LJQANCHMSA-N 442.506 3.695 0 40 IHAB COc1ccc(-c2ccc(C[C@H]3CN(C(=O)c4ccncc4)CCN(C)C3=O)cc2)cc1 19589396 HHUYKDUGGHNIJB-QHCPKHFHSA-N 429.520 3.530 0 40 IHAB Cc1nn(C)cc1CN1CCC[C@H]1c1nc(C)c2c(n1)N(Cc1cccc(F)c1)C(=O)CC2 19740667 LDCYUWHKANYOHD-QFIPXVFZSA-N 448.546 3.783 0 40 IHAB CNc1cc(CN(C)C(C)=O)nc([C@H]2CCCN2Cc2ccccc2N2CCCCC2)n1 19760640 HYACROJKSPJWDV-HSZRJFAPSA-N 436.604 3.824 0 40 IHAB Cc1ccc(N2CCN(CN3C(=O)S/C(=C/c4ccncc4)C3=O)CC2)cc1Cl 20311140 VIULKLVJADJYBE-XDHOZWIPSA-N 428.945 3.859 0 40 IHAB CCc1ccc(NC(=O)CSc2ncc3c(n2)-c2ccccc2N(C)S3(=O)=O)cc1 20582741 OTXUJGBZLBZBEA-UHFFFAOYSA-N 440.550 3.575 0 40 IHAB COc1ccc(NC(=O)Nc2ccc(OCc3cc(=O)n4ccccc4n3)cc2)c(OC)c1 21156683 ITMKSBHBKPPLDZ-UHFFFAOYSA-N 446.463 3.935 0 40 IHAB CCOc1ccc(N(CC(=O)N[C@H](C)CC)S(=O)(=O)c2ccc(SC)cc2)cc1 22278533 ZFELSFZETIUBPJ-MRXNPFEDSA-N 436.599 3.917 0 40 IHAB COc1cc2c(cc1OC)CN([C@@H]1CC(=O)N(c3ccc(Cl)c(Cl)c3)C1=O)CC2 22609278 RCMJHRUZDLEVGD-QGZVFWFLSA-N 435.307 3.701 0 40 IHAB Cc1sc2nc(CN3CCOCC3)nc(Nc3ccc(N4CCOCC4)cc3)c2c1C 23380720 PBVUOIOLHVDPIF-UHFFFAOYSA-N 439.585 3.721 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)CCc3ccccc3)CC2)cc1 23652274 FCLCDCZCMRKDHQ-IBGZPJMESA-N 444.597 3.624 0 40 IHAB CC(C)(C)NS(=O)(=O)c1ccc(C(=O)OCC(=O)C23CC4CC(CC(C4)C2)C3)cc1 25130636 DGOWKTUBXBDRHF-UHFFFAOYSA-N 433.570 3.706 0 40 IHAB CN(C)C(=O)[C@@H](Sc1nnc(CN2CCCC2)n1Cc1ccccc1)c1ccccc1 25746913 MVEIMRRAHKPKLO-QFIPXVFZSA-N 435.597 3.844 0 40 IHAB COc1ccc(Br)cc1/C=c1\sc2nc(/C=C/c3cccs3)nn2c1=O 27022357 GBUHPHJSYZIICV-MSLGXNKOSA-N 446.351 3.702 0 40 IHAB CCn1c2ccccc2c2cc(NC(=O)CCN3C(=O)c4ccccc4S3(=O)=O)ccc21 28197101 QZAPXYGEDZDKIJ-UHFFFAOYSA-N 447.516 3.988 0 40 IHAB O=C(Cn1cnc2ccc(F)cc2c1=O)Nc1c(-c2ccc(F)cc2)nc2sccn12 32408962 LRTDOZNFEGFCBK-UHFFFAOYSA-N 437.431 3.690 0 40 IHAB COc1ccccc1CN(C)C(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 38755301 SWPWALIAOYGSAE-UHFFFAOYSA-N 438.549 3.934 0 40 IHAB O=C(Nc1nncs1)C1CCN(Cn2nc(-c3cccc(Cl)c3)oc2=S)CC1 40155505 BGCLYHHWXJPMEP-UHFFFAOYSA-N 436.950 3.686 0 40 IHAB Cc1ccc(Oc2nccn3c(=O)n(CC(=O)Nc4ccccc4C(F)(F)F)nc23)cc1 49008330 YIOUTUUCDITILA-UHFFFAOYSA-N 443.385 3.649 0 40 IHAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N[C@@H](C)c1ccccc1Br 58160756 QHMKXIMZJZEZJB-JKSUJKDBSA-N 432.362 3.860 0 40 IHAB C[C@@H](NC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1ccc2c(c1)CCC(=O)N2 58406777 VPQDTUYINJQDOS-CJNGLKHVSA-N 445.441 3.820 0 40 IHAB COc1ccc2c(c1)CCN2C(=O)c1cncc(C(=O)N2CCc3cc(OC)ccc32)c1 58716751 SVULHZKDMCIHKO-UHFFFAOYSA-N 429.476 3.505 0 40 IHAB COc1cc(/C=C/C(=O)N[C@@H](C)C(=O)O)cc(Br)c1OCc1cccc(C)c1 62715493 QICZTRADTFRHQF-NPQIQWPPSA-N 448.313 3.948 0 40 IHAB CN(C)Cc1ccc(CNC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)cc1 65614863 KENPWTLHNAMDGH-HXUWFJFHSA-N 434.367 3.976 0 40 IHAB Cc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccccc3C(F)(F)F)c2C)cc1F 67323387 MFGDPCCOTFYWSN-UHFFFAOYSA-N 435.381 3.944 0 40 IHAB COc1ccc(NC(=O)C2(NC(=O)Cc3csc(C(C)C)n3)CCCC2)cc1OC 72310329 UMCPPAVANCWZRU-UHFFFAOYSA-N 431.558 3.894 0 40 IHAB COc1ccc(C)cc1CC(=O)N1CCN(C)C(=O)[C@H]1Cc1cccc(-c2ccncc2)c1 72351684 SWEJNUSZLWRBAB-XMMPIXPASA-N 443.547 3.520 0 40 IHAB CCN1CCN(C(=O)Cc2ccc(OC)cc2)[C@@H](Cc2cccc(-c3cccnc3)c2)C1=O 72351736 UMZBJPWTRSEENQ-VWLOTQADSA-N 443.547 3.602 0 40 IHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N1CCC[C@H](c2cc(C(F)F)n3ncnc3n2)C1 72395344 DRWNMDAJUDDHAY-IFXJQAMLSA-N 445.470 3.634 0 40 IHAB COc1cccc([C@H]2CC(c3ccc(NS(C)(=O)=O)cc3)=NN2C(=O)c2ccco2)c1 79112384 VBTJSMAQCHKJBH-HXUWFJFHSA-N 439.493 3.651 0 40 IHAB CCN1CC[C@]2(CN(CC(C)C)CC23CCN(C(=O)Nc2ccccc2F)CC3)C1=O 96144337 PXHQEGUBHYGGLZ-DEOSSOPVSA-N 430.568 3.650 0 40 IHAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 102325592 BETJUXFETQDKQZ-SOUVJXGZSA-N 431.385 3.653 0 40 IHAB CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2)=N[C@H]1c1ccccc1OC 103828605 XEMDLGGLCAORMO-NRFANRHFSA-N 439.537 3.905 0 40 IHAB CCOC(=O)C1(C(=O)OCC)[C@@H](c2ccc(CC)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 218349345 HRGYMLKUKJEZFD-LEWJYISDSA-N 444.549 3.610 0 40 IHAB COc1ccc(CCNC(=O)C2=C(c3ccccc3)c3ccccc3N(C)S2(=O)=O)cc1 219178721 FYAIGNCRTAMNNJ-UHFFFAOYSA-N 448.544 3.593 0 40 IHAB COc1ccccc1O[C@H](C)C(=O)N(C)Cc1nc(-c2cccc(Br)c2)no1 219507730 HESJNYXFMVYWOK-CYBMUJFWSA-N 446.301 3.934 0 40 IHAB Cc1ccc2c(c1)[C@H](NC(=O)c1cccc(S(=O)(=O)N3CCCC3)c1)CC(C)(C)O2 219978882 IKNBQZGXZAMUSF-HXUWFJFHSA-N 428.554 3.812 0 40 IHAB COc1ccc(N(CCCC(=O)NCc2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1 222599886 YOMKPUKGHNWDSU-UHFFFAOYSA-N 445.368 3.865 0 40 IHAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2ccccc2)N1CCCN1CCOCC1 223193448 XMFFNYBQTFQLSM-RPWUZVMVSA-N 447.608 3.567 0 40 IHAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(C)C)cc2)cc1C(=O)N1CCCC1 223871851 PLFUPMZEXZBXMT-UHFFFAOYSA-N 430.570 3.875 0 40 IHAB COCCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(NC(C)=O)cc1 223967771 MSXATJXFIPXIMR-FGZHOGPDSA-N 435.553 3.665 0 40 IHAB Cc1ccc(N(CCCC(=O)NCCOc2ccccc2Cl)S(C)(=O)=O)cc1C 224053641 QCJSMVOIAHNRFP-UHFFFAOYSA-N 438.977 3.698 0 40 IHAB CCCCOCc1cc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)ccc1OC 224441537 OQENPZKAZZWUNK-UHFFFAOYSA-N 440.540 3.699 0 40 IHAB CC[C@@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)COc1ccccc1OC 224941799 QQQFQNGIVKZODK-NRFANRHFSA-N 426.557 3.696 0 40 IHAB CCOC(=O)c1cnc(NC(=S)NCCNc2cc(C)nc3ccc(C)cc23)nc1C 225225561 OJLCVNDAIHRJLL-UHFFFAOYSA-N 438.557 3.525 0 40 IHAB CC[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)c1ccc(OC)c(C)c1 225517263 YYAJIKNMQPHNLR-TZIWHRDSSA-N 430.570 3.672 0 40 IHAB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)c1 225520850 YIAXUXVKXUMLFZ-LJQANCHMSA-N 444.553 3.520 0 40 IHAB O=C(NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1)c1ccc(Cn2ccnc2)cc1 225755216 UNCFKDDMGCHDHP-UHFFFAOYSA-N 432.553 3.782 0 40 IHAB CCOc1ncc([C@]2(O)CCC[C@H]3CN(Cc4cc(F)cc(F)c4)C[C@H]32)c(OCC)n1 253382160 HEGQRLOIFZGHRL-LERMDLETSA-N 433.499 3.672 0 40 IHAB Cc1ccc([C@H](C)C(=O)N2CCC[C@H](c3nc(C)c(CC(=O)NC4CC4)c(C)n3)C2)cc1 257273310 NGBOSVDHUBFACE-UWJYYQICSA-N 434.584 3.733 0 40 IHAB O=C(O)CN(CCCc1ccccc1)C(=O)[C@H]1CC[C@H](O)[C@@H](Nc2ccc(F)cc2)CC1 257316330 VFCYGIKBOJVBNR-OIBXWCBGSA-N 442.531 3.703 0 40 IHAB COc1ccc(C)cc1N([C@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1)S(C)(=O)=O 260897361 LMKGUUCMCJJXCU-GOSISDBHSA-N 445.585 3.787 0 40 IHAB CC1(C)C[C@@H](NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c2ccccc2O1 260913380 ZXVYSNFGGOIYDS-OXJNMPFZSA-N 446.544 3.645 0 40 IHAB O=C(NCCc1cccs1)c1cnn2c1CN(Cc1ccc(F)cc1)Cc1cccnc1-2 306140271 UOPISOKZDZNBDC-UHFFFAOYSA-N 447.539 3.956 0 40 IHAB O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1[C@H]2CC[C@H]1CC(Oc1cccnc1)C2 390830730 MYRBRMOQIBJXTK-KBPBESRZSA-N 428.432 3.743 0 40 IHAB CCn1c(COc2ccccc2F)nnc1SCC(=O)Nc1ccccc1C(=O)OC 408527650 PGVRPHSYVQSMGB-UHFFFAOYSA-N 444.488 3.534 0 40 IHAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCc2ccccc2Cl)cc1 408709942 JCRVVXCFHRMYKH-UHFFFAOYSA-N 435.911 3.833 0 40 IHAB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccc(C(=O)O)cc3)cc2)C1=O 409068467 SSJSWRDNPRWMBA-FHXOWUIVSA-N 441.461 3.562 0 40 IHAB CCn1c(CNC(=O)Cc2ccccc2)nnc1SCC(=O)Nc1cc(C)cc(C)c1 409160549 RFUQALFWRQGXKS-UHFFFAOYSA-N 437.569 3.505 0 40 IHAB C[C@H](CN1CCOCC1)N1CCN(c2cccc(OCc3ccccc3Cl)c2)CC1 549674840 XVCTYPJVOPVCCA-HXUWFJFHSA-N 429.992 3.762 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cc1 751861 BUXJHRQSEVIZEP-UHFFFAOYSA-N 435.571 3.581 0 40 IHAB Cc1ccc2c(c1)cc(CN(Cc1nnnn1C(C)(C)C)C1CCCCC1)c1nnnn12 1367532 BOGHWZBFVVGKPO-UHFFFAOYSA-N 433.564 3.662 0 40 IHAB CN(C)C[C@@H]1CCCC[C@@H](CN(C)C)C1OC(=O)C(O)(c1ccccc1)c1ccccc1 1717444 NHDUKTKAHCJFPJ-VXKWHMMOSA-N 438.612 3.764 0 40 IHAB CCc1cc(=O)oc2cc(C)cc(OC(=O)[C@@H](CC)NS(=O)(=O)c3ccc(C)cc3)c12 2095826 TZGIIMFWLXQLBG-GOSISDBHSA-N 443.521 3.635 0 40 IHAB biogenic C[C@@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)c2ccc(Cl)s2)C1=O 3391137 HJUHNHTVADYOOI-INIZCTEOSA-N 427.707 3.814 0 40 IHAB CC(=O)c1sc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)[nH]c(=O)c2c1C 3448998 YATXNFLOZDLXEU-UHFFFAOYSA-N 442.478 3.567 0 40 IHAB C[C@@H](OC(=O)c1cc(S(C)(=O)=O)ccc1Cl)C(=O)Nc1ccc(F)cc1Cl 3559191 KOHKKJKOHYHPFI-SECBINFHSA-N 434.272 3.720 0 40 IHAB COc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nnc(C)s2)cc1OC 3643666 WJYJOLSNDUGWKA-GOSISDBHSA-N 435.461 3.720 0 40 IHAB Cc1c(O[C@H](C)C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)ccc2c3c(c(=O)oc12)CCC3 4073217 ANYNUAYZGOSFKZ-YPBQGGFRSA-N 425.525 3.511 0 40 IHAB biogenic Cc1c(NS(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)c(=O)n(-c2ccccc2)n1C 6088809 JZLOVPNJANGFLE-UHFFFAOYSA-N 431.517 3.856 0 40 IHAB CC[C@@H](NS(=O)(=O)c1ccc(OC)c(NC(C)=O)c1)c1ccc(Br)cc1 8704544 VCLSXXWIWBWIQU-MRXNPFEDSA-N 441.347 3.846 0 40 IHAB C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CCC(=O)c2ccc3c(c2)CCCC3)C1=O 8736000 MYZDKPZWQHVJGZ-SANMLTNESA-N 447.535 3.503 0 40 IHAB Cc1cc(=O)c(C(=O)NC[C@H](c2ccco2)N2CCCCC2)nn1-c1ccc(Cl)cc1 8982688 DHPHWYISNOYFOX-LJQANCHMSA-N 440.931 3.744 0 40 IHAB Cc1c(NC(=O)c2cccc(NC(=O)Cc3ccsc3)c2)c(=O)n(-c2ccccc2)n1C 9056564 KHYCXKWQBKQDBG-UHFFFAOYSA-N 446.532 3.979 0 40 IHAB COc1ccc(N2C[C@H](C(=O)NCCc3c[nH]c4ccc(Cl)cc34)CC2=O)c(OC)c1 9197018 UNAVYSPAMXGYRC-OAHLLOKOSA-N 441.915 3.550 0 40 IHAB COc1ccc2nc(NC(=O)CSc3nnc(-c4ccccc4F)n3C)sc2c1 9302475 DCFCBEAAUBOQMC-UHFFFAOYSA-N 429.502 3.970 0 40 IHAB COc1ccc2nc(NC(=O)CSc3nnc(Cc4ccccc4)n3C)sc2c1 9328744 JCFRSXGIDLITRY-UHFFFAOYSA-N 425.539 3.755 0 40 IHAB CCCCn1cnc2c1c(=O)n(Cc1coc(-c3cccs3)n1)c(=O)n2CC(C)C 9366008 UZQRFVDVUDYBNC-UHFFFAOYSA-N 427.530 3.581 0 40 IHAB CC(=O)c1ccc(N2C(SCCCc3ccccc3)=N[C@@H]3CS(=O)(=O)C[C@H]32)cc1 9411059 PDIMQPXDLBNESV-NHCUHLMSSA-N 428.579 3.597 0 40 IHAB CCn1cc(C(=O)c2cc(C)ccc2O)cc1-c1nc2cc(OC)c(OC)cc2c(=O)[nH]1 9458519 DKKZMNSLTOALRK-UHFFFAOYSA-N 433.464 3.674 0 40 IHAB O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Nc1ccccc1C(=O)NC1CC1 9872741 IEMVHFQDTSAWKM-OAQYLSRUSA-N 435.524 3.516 0 40 IHAB O=C(COC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2)Nc1nnc(-c2ccccc2)o1 10577247 ZFESNAXRHMOKTD-UHFFFAOYSA-N 425.400 3.744 0 40 IHAB O=C(NCc1ccc(COCC(F)(F)F)cc1)C1CCN(C(=O)c2cccs2)CC1 11253245 BVJJUBABYIHNMV-UHFFFAOYSA-N 440.487 3.996 0 40 IHAB CN(C)C(=O)COC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1 11517592 JOOSRRFCHWEJOW-UHFFFAOYSA-N 432.455 3.531 0 40 IHAB O=C(NCCOc1ccc2nnc(-c3cccc(F)c3)n2n1)Nc1ccc(Cl)cc1 11694591 QHTKQXSSOQDHIS-UHFFFAOYSA-N 426.839 3.784 0 40 IHAB CCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)ccc12 11866909 HHJIRPBCFIQOJU-MVIPISOYSA-N 427.541 3.975 0 40 IHAB Cn1c(=O)[nH]c(=O)c2c1nc(SCCCc1ccccc1)n2CCCc1ccccc1 12373955 YPQVRJJQPRKZKF-UHFFFAOYSA-N 434.565 3.781 0 40 IHAB Cc1c(C(=O)N2CCN(Cc3ccccc3)CC2)cnn1-c1ccc(C(F)(F)F)cn1 12528364 RCQQOEJVIGCUKE-UHFFFAOYSA-N 429.446 3.553 0 40 IHAB Cc1ccc(-n2c(S[C@@H](C)C(=O)NC(=O)NCC(C)C)nnc2N2CCCCC2)cc1 12537410 RWKAOJXSWRKQEG-KRWDZBQOSA-N 444.605 3.528 0 40 IHAB CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(Br)cc2C)C1=O 12549983 BJHQFCNRUHDBTL-OAQYLSRUSA-N 444.329 3.943 0 40 IHAB O=C(CSCc1ccc(F)cc1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 12604962 SYHYLBUUWIUCAN-UHFFFAOYSA-N 437.543 3.955 0 40 IHAB COc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccc(N3CCCC3=O)c(C)c2)cc1 12741918 IPQDQBBPBXUYIJ-UHFFFAOYSA-N 437.525 3.690 0 40 IHAB COc1cc(OC)cc([C@H](NC(=O)c2cccc(Br)c2)c2nccn2C)c1 12767686 LEIPDXYYTMNFJS-SFHVURJKSA-N 430.302 3.719 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(Cc3coc(-c4ccc(C)cc4C)n3)CC2)cc1 12794236 RZAPCTOFJVEDIW-UHFFFAOYSA-N 425.554 3.773 0 40 IHAB C[C@H]1C[C@H](C)CN(C(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)C1 12815690 YOUIJQJVYXDGSP-KBPBESRZSA-N 433.401 3.899 0 40 IHAB Cc1ccc(SCCC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)cc1 12999389 BKLSUCPHKHKHNN-ROUUACIJSA-N 448.610 3.914 0 40 IHAB CCC(C)(C)C1CCC2(CC1)NC(=O)N(CN1CCN(c3ccccc3C)CC1)C2=O 13097774 HILHNNRCVZZRBV-UHFFFAOYSA-N 426.605 3.992 0 40 IHAB COCCN(C(=O)/C=C/c1ccccc1)c1nnc(-c2ccc(OC)c(OC)c2)s1 13510075 ZHORTWWZHOKLTK-FMIVXFBMSA-N 425.510 3.915 0 40 IHAB O=C1C[C@H](c2ccc3c(c2)OCO3)c2c(nc(SCc3ccc(Cl)cc3)[nH]c2=O)N1 13567424 JQAVYYOHTIWXRQ-CQSZACIVSA-N 441.896 3.918 0 40 IHAB O=C(Cc1csc(SCC(=O)c2ccc(F)cc2)n1)NCc1ccc2c(c1)OCO2 13654317 ZQKMFXUOHFDPGH-UHFFFAOYSA-N 444.509 3.845 0 40 IHAB COc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@H](O)c3ccc(Br)cc3)CC1)O2 13998258 NZSQSJHSOGLQLC-PMACEKPBSA-N 448.357 3.842 0 40 IHAB O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CCC[C@@H]1c1nnc2ccccn12 14249666 VDEARZCBHHNPDS-CYBMUJFWSA-N 430.839 3.927 0 40 IHAB CC(=O)c1ccc(NC(=O)N2Cc3nc[nH]c3C[C@H]2c2nc(-c3ccccc3)no2)cc1 15707187 MNBCFBZKGLNWGM-FQEVSTJZSA-N 428.452 3.994 0 40 IHAB biogenic,in-vitro COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)NCc2c(C)cc(C)[nH]c2=O)c1 16513201 KVKSCOKDSSPNQF-UHFFFAOYSA-N 442.519 3.842 0 40 IHAB COc1ccc(OC)c(NC(=O)Cn2cccc(-c3nc(-c4ccc(C)cc4)no3)c2=O)c1 16843498 COQIWOOPQRJSCY-UHFFFAOYSA-N 446.463 3.530 0 40 IHAB Cc1nc(-c2ccc3c(c2)CCN3S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cs1 17520412 HERGBDJHOXDBQK-UHFFFAOYSA-N 425.535 3.755 0 40 IHAB Cc1ccc(C(=O)N2CCCC[C@H]2c2nc(O)c3c(n2)CN(Cc2ccncc2)CC3)cc1 19135420 JMLHSTLAPJFLCD-QHCPKHFHSA-N 443.551 3.811 0 40 IHAB Cc1noc(C)c1CC(=O)N1CCC[C@@H](c2nc(N(C)C)ncc2-c2cccc(F)c2)C1 19694279 HHFFJSVEFWNPSU-GOSISDBHSA-N 437.519 3.902 0 40 IHAB CNc1cc(C2CCN(Cc3c(C)cc(OC)c(C)c3C)CC2)nc(CN(C)C(C)=O)n1 19710085 MUENJXTWSSIULQ-UHFFFAOYSA-N 439.604 3.810 0 40 IHAB CCN(CC)C(=O)CN1CC[C@H]2[C@H]1CCCCC(=O)N2Cc1cccc(C(F)(F)F)c1 19713156 JGXMMONBIFOBHZ-UXHICEINSA-N 439.522 3.919 0 40 IHAB Cc1c(C(=O)OCc2cccc(S(=O)(=O)N3CCOCC3)c2)sc2cccc(F)c12 20008443 HMEXWHYQNZYTIK-UHFFFAOYSA-N 449.525 3.727 0 40 IHAB COc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2ccc(F)cc2)cc1Cl 20068889 ZZGPAPHKRUNMKG-IAGOWNOFSA-N 433.896 3.785 0 40 IHAB CS(=O)(=O)N(CC(=O)NCCSCc1ccccc1)c1cc(Cl)cc(Cl)c1 20237216 ITHWOIVIBDSTRL-UHFFFAOYSA-N 447.409 3.809 0 40 IHAB O=C(c1cncn1-c1ccccc1)N1CCN(Cc2ccc(Br)s2)CC1 22069748 HFFPTMNLBVVZNF-UHFFFAOYSA-N 431.359 3.654 0 40 IHAB C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1)c1ccc(F)cc1 22539560 AYBYXWGTJDZEMM-VGOFRKELSA-N 426.513 3.593 0 40 IHAB Cc1cccc2c(=O)n(CC(=O)Nc3cc(Cl)ccc3OCC(F)(F)F)cnc12 22615476 OEYXQKBYQZXTOG-UHFFFAOYSA-N 425.794 3.938 0 40 IHAB O=C(CSCc1nc2cc(-c3ccc(F)cc3)sc2c(=O)[nH]1)NCc1ccco1 24073787 MIJGLCVSHMOYCY-UHFFFAOYSA-N 429.498 3.933 0 40 IHAB O=C(c1cccc(OCc2ccccc2)c1)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 24177588 PZVXZUXMZGVYQN-UHFFFAOYSA-N 444.531 3.995 0 40 IHAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)c1ncc(C(F)(F)F)cc1Cl 24527752 SHOFVAJXQDZONF-NSHDSACASA-N 426.826 3.954 0 40 IHAB C[C@H](C(=O)Nc1ccc(NC(=O)/C=C/c2cccc(Br)c2)cc1)n1cncn1 24584481 PWUYFBQIJIUVGD-AZWQULSGSA-N 440.301 3.892 0 40 IHAB Cc1occc1-c1nnc(SCCC(=O)Nc2ccccc2C(=O)c2ccccc2)n1N 24745354 VOJYIDGYKLCSPD-UHFFFAOYSA-N 447.520 3.912 0 40 IHAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N(C)Cc2ccc(C(=O)NCC(F)(F)F)cc2)c1C 26154621 HHJLIYXEUZIWQI-AWEZNQCLSA-N 437.462 3.829 0 40 IHAB CCCOc1cccc(C(=O)Nc2nnc(S(=O)(=O)Cc3ccc(C)cc3)s2)c1 27664621 SEZZKHZVIJSDOS-UHFFFAOYSA-N 431.539 3.862 0 40 IHAB Cn1ccc(S(=O)(=O)N2CCC(C(=O)OCc3ccc(-c4ccccc4)cc3)CC2)c1 28011431 PLTNCIOOWHUKPL-UHFFFAOYSA-N 438.549 3.836 0 40 IHAB C[C@@H](c1nc2ccccc2s1)N1CCN(C(=O)CCc2nc(-c3ccco3)no2)CC1 29983396 DHESFAPRIWOADX-HNNXBMFYSA-N 437.525 3.777 0 40 IHAB CC[C@@](C)(CNC(=O)c1cc(OC)c(OCc2ccccc2)c(OC)c1)N1CCOCC1 31927482 PVYMMUPBFBFILA-VWLOTQADSA-N 442.556 3.514 0 40 IHAB CC(C)(C)c1ccc(OCC(=O)N2CCN(C(=O)c3ccc(Br)o3)CC2)cc1 32280617 NGEBVEIJRKAOLO-UHFFFAOYSA-N 449.345 3.703 0 40 IHAB COC(=O)c1cnc(NC(=O)[C@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)s1 32843453 AMXFPCLYQXCKBD-CYBMUJFWSA-N 430.313 3.630 0 40 IHAB CCOc1ccccc1NC(=O)NCc1cc(=O)n2nc(-c3ccccc3C)sc2n1 32995959 AECCUZIKDYFIGT-UHFFFAOYSA-N 435.509 3.847 0 40 IHAB CCCn1c(=O)c2cc(Cl)ccc2n2c(SCC(=O)Nc3cccc(F)c3)nnc12 33255066 COTQOIVWMGBPFH-UHFFFAOYSA-N 445.907 3.978 0 40 IHAB COc1c(Br)cc(Br)cc1C(=O)Nc1ccccc1C(N)=O 34931568 ZBPVUJAFBMXILN-UHFFFAOYSA-N 428.080 3.571 0 40 IHAB CC(=O)O[C@H]1C[C@H]2[C@H]3C[C@@H](OC(C)=O)C[C@@]3(C)C[C@@H](OC(C)=O)[C@H]2[C@@]2(C)CCC(=O)C[C@H]12 36370781 QWVDWZWSHZMUAY-YJWCIJBXSA-N 448.556 3.613 0 40 IHAB COc1ccc(/C=C\C(=O)Nc2nn(C)c3c2[C@@H](c2ccccc2)CC(=O)N3)cc1OC 36705537 ULLRUDCJFMVZMF-XSLBHYSZSA-N 432.480 3.563 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)NCCn3cnc4ccccc43)c2)c1 39564082 JMQFQLMBGJTIEI-UHFFFAOYSA-N 448.548 3.884 0 40 IHAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N3CCC(C(=O)NCCC(C)C)CC3)c12 40146875 VEWQMUIWNGTDJL-UHFFFAOYSA-N 447.583 3.958 0 40 IHAB Cc1cc2nc(COC(=O)c3ccc(C)c(NC(=O)c4ccc(C)c(F)c4)c3)cc(=O)n2o1 41089586 KCEJMHTZPPLQPI-UHFFFAOYSA-N 449.438 3.961 0 40 IHAB CCS(=O)(=O)N(CC(=O)N[C@@H](CC(C)C)c1ccccc1)c1ccc2c(c1)OCCO2 44884365 ZPRPYCZFWYZZFE-FQEVSTJZSA-N 446.569 3.518 0 40 IHAB CN(Cc1c(-c2ccco2)n(CC(=O)NC2CC2)c2ncccc12)C[C@@H](O)c1ccccc1 57774396 XSLKOAGGHFJFQC-JOCHJYFZSA-N 444.535 3.740 0 40 IHAB C[C@H](NC(=O)CS(=O)(=O)Cc1cccc(Br)c1)c1ccc(F)c(F)c1 58157524 KSSFCOAELBPWSV-NSHDSACASA-N 432.286 3.520 0 40 IHAB Cc1csc([C@@](O)(CC(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)C(F)(F)F)n1 58820690 CDNCBYVBOXVLNC-PBHICJAKSA-N 434.867 3.845 0 40 IHAB COc1ccc(CSc2nc3ccccc3c(=O)n2CCCN2CCCC2=O)cc1F 67258591 IUJZIPHUNVTNML-UHFFFAOYSA-N 441.528 3.849 0 40 IHAB Cc1ccc(S(=O)(=O)NC[C@@H](NC(=O)Nc2nccs2)c2ccccc2)c(C)c1 72306110 ZGFKVFYGDUXGGO-QGZVFWFLSA-N 430.555 3.601 0 40 IHAB CCc1c(C)sc2ncn([C@H]3CCCN(C(=O)Cc4ccccc4OC)C3)c(=O)c12 72347735 OQEXAIHDYHYPKP-KRWDZBQOSA-N 425.554 3.744 0 40 IHAB CC(=O)NCC(=O)N1CCC[C@@H](c2cc(Cc3cccc(C(F)(F)F)c3)cc(C)n2)C1 72354078 KTTYQWXATITTHL-LJQANCHMSA-N 433.474 3.842 0 40 IHAB CCOc1cc2c(cc1CN1CCC(c3cc(O)nc(-c4ccncc4)n3)CC1)OCO2 72392722 AOGGTUGQEJWZEU-UHFFFAOYSA-N 434.496 3.751 0 40 IHAB Cc1ccc(NC(=O)c2ccc3ccc(N4CCN(C(=O)c5ccccc5)CC4)n3c2)cn1 96267378 LDPWIEQZRGTRHZ-UHFFFAOYSA-N 439.519 3.857 0 40 IHAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1CN(C(=O)c1ccccc1)c1ccc(Cl)cc1 100394694 ZFMMPPBIGVCAFH-BGJURXJTSA-N 432.907 3.997 0 40 IHAB Cc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4cc(Cl)ccc4C)[C@H]3C2=O)cc1Cl 101083664 SRXLHPSHQYARGK-ZWKOTPCHSA-N 446.294 3.542 0 40 IHAB COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 102862041 KJVGAKSWUZWNON-DNVJHFABSA-N 430.460 3.755 0 40 IHAB Cc1ccc(N([C@@H](C)C(=O)NCCSc2ccccc2)S(C)(=O)=O)cc1Cl 220356906 XHFQZKMNSPGMMI-HNNXBMFYSA-N 426.991 3.711 0 40 IHAB Cc1ccc(N(C)C(=O)COc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1C 222754791 OBVUWRPJPFTVCV-UHFFFAOYSA-N 430.570 3.766 0 40 IHAB S=C(NCC1(c2cccc(Cl)c2)CCOCC1)Nc1cnc(Br)cn1 224022221 DYXVHSYDIZWEBT-UHFFFAOYSA-N 441.782 3.927 0 40 IHAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)Nc3ccc(OC(C)C)cc3)s2)cc1 224059733 JTKIIBIIHYDMER-UHFFFAOYSA-N 432.527 3.687 0 40 IHAB COc1ccc(OC)c(CN(C)C(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)c1 224074677 XJNVDSPQGJKYFX-UHFFFAOYSA-N 440.521 3.777 0 40 IHAB Cc1ccc(C)c(N(CCCC(=O)NCCOc2ccc(Cl)cc2)S(C)(=O)=O)c1 224149757 XHZSZILVIKLNCH-UHFFFAOYSA-N 438.977 3.698 0 40 IHAB CCCCCOc1ccccc1NC(=O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21 245265730 HLGFEKDHPNYQTH-TWHPPBISSA-N 435.517 3.591 0 40 IHAB CCc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)cc1 248271124 VUJVJOZZDXQWFL-XLIONFOSSA-N 430.570 3.536 0 40 IHAB Cc1nonc1COc1ccccc1C(=O)N1CCC2(CC1)C[C@H](Oc1ccccc1)CO2 257237978 HJBUDIMNBXKRRQ-FQEVSTJZSA-N 449.507 3.800 0 40 IHAB Cc1nc2cc([C@@H]3CCN(Cc4ccc(F)cc4)C3)nn2c(C)c1CCC(=O)NC(C)C 257338611 YYECKKBLKYTOQB-HXUWFJFHSA-N 437.563 3.932 0 40 IHAB CCn1cnc2cc(NC(=O)C[C@@H]3CCCN(C(=O)c4cnc(C(C)C)nc4)C3)ccc21 257340930 ZIDYNOMWIKETMF-KRWDZBQOSA-N 434.544 3.851 0 40 IHAB O=C1N(Cc2ccncc2)CCO[C@@]12CN(Cc1ccccc1Cl)C[C@@H]2c1cccnc1 306137470 QXHLOHRQTQHRIS-RCZVLFRGSA-N 448.954 3.527 0 40 IHAB CCOc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1S(=O)(=O)NC(C)C 408700644 JOVOCAMRSLRHCP-UHFFFAOYSA-N 444.597 3.867 0 40 IHAB COc1ccc(-c2nnc(CN(C)C(=O)COc3cccc4ccccc34)o2)cc1OC 408714071 HVSKZSMBIUJEAT-UHFFFAOYSA-N 433.464 3.944 0 40 IHAB CCCOc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3c(C)cccc3CC)CC2=O)cc1 409170314 VFGBEHNRCZFDKU-IBGZPJMESA-N 438.524 3.881 0 40 IHAB C[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1Cl)c1ccnc(O)c1 502223398 LWYHGWPGYXFSSO-VFNWGFHPSA-N 435.911 3.885 0 40 IHAB Cc1sc2nc(CS[C@H](C)C(=O)N[C@@H](C)CN3CCC[C@H](C)C3)nc(O)c2c1C 509648961 DEQDYXJYAOFCHM-HEHGZKQESA-N 436.647 3.872 0 40 IHAB CC(C)n1cc([C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3c3ccc(Cl)c(F)c3)C[C@H]2CO)cn1 574181779 KORJDHNENURGGQ-NYUBLWNDSA-N 435.927 3.569 0 40 IHAB CC(=O)O[C@@H](C(=O)Nc1nc(-c2ccc3c(c2)CCN3C(C)=O)cs1)c1ccccc1 1365675 XOSSFVDNBVABOO-OAQYLSRUSA-N 435.505 3.962 0 40 IHAB Cc1nn(-c2nc3ccccc3c(=O)n2OCc2ccccc2)c2c1C(=O)CC(C)(C)C2 2372686 XXEMQLICLVABII-UHFFFAOYSA-N 428.492 3.675 0 40 IHAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)NC(c1ccccc1)c1ccccc1 3268786 GLAQMAAHAPAYHY-DEOSSOPVSA-N 444.531 3.890 0 40 IHAB O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)Nc1ccc(Cl)c(C(F)(F)F)c1 3378139 BTHZABNCFPPYHB-IBGZPJMESA-N 437.805 3.691 0 40 IHAB CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)[C@@H](C)Oc1cccc(C)c1 4943906 DIGDCQDGXDUSLA-MRXNPFEDSA-N 425.485 3.878 0 40 IHAB Cc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1S(=O)(=O)N1CCCCC1 6152491 QGUQALIGLJCSSE-UHFFFAOYSA-N 442.566 3.940 0 40 IHAB CCOc1ccc(CCN2C(=O)[C@@H](C(=O)O)[C@H]3C[C@]2(C)Oc2ccccc23)cc1OCC 6601893 PBDBDEWPQZIOMJ-PZGSVQSZSA-N 439.508 3.852 0 40 IHAB COc1ccccc1[C@H]1CN2C(=O)CN(CC(C)C)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 8789113 ZQOBPOOBQSKWPS-BCHFMIIMSA-N 431.536 3.864 0 40 IHAB biogenic Cc1ccccc1N1C[C@H](C(=O)Nc2nnc(SCc3ccccn3)s2)CC1=O 8824629 FYYKRZLWANMKTF-CQSZACIVSA-N 425.539 3.525 0 40 IHAB COc1cc2c(cc1OC)C1=NC(=O)[C@@H](CC3CCCCC3)N1C(S[C@@H](C)C(=O)O)=N2 8873478 KYRYBTBAMFNFBZ-BLLLJJGKSA-N 445.541 3.839 0 40 IHAB CCc1nnc2n1N[C@H](c1ccc(Cl)cc1)[C@@H](C(=O)Nc1cccc(OC)c1)S2 9198068 PKDJUGJAEZEFDX-MSOLQXFVSA-N 429.933 3.900 0 40 IHAB CCn1c(CN2CCCCCC2=O)nnc1S[C@@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C 9216815 MGMVZSQPLDYCAT-INIZCTEOSA-N 445.589 3.712 0 40 IHAB COC(=O)c1ccc(N2C(=O)C[C@@H](N3CCC(CCCc4ccccc4)CC3)C2=O)cc1 9287916 BLIOYRUWGJMEOB-HSZRJFAPSA-N 434.536 3.840 0 40 IHAB CCOc1ccccc1[C@H]1CC(c2ccccc2NS(C)(=O)=O)=NN1C(=O)C(C)C 9378574 OOGFJWVBUMWZSB-HXUWFJFHSA-N 429.542 3.791 0 40 IHAB COc1ccc([C@H](NC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)c2ccccc2)cc1 9516210 MRMBWUIAQIIDBW-ZEQKJWHPSA-N 428.532 3.992 0 40 IHAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(COc3ccc(C(C)C)cc3)n2N)c1C 9575340 KXDNHPCDQGZCBE-UHFFFAOYSA-N 441.557 3.817 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)c2cccn(OCc3ccccc3F)c2=O)cc1 9599678 KBUUONCPGSTUOA-UHFFFAOYSA-N 438.455 3.825 0 40 IHAB COc1cccc(NC(=O)CSc2nnc(NC(=O)Cc3ccc(F)cc3)s2)c1 9600183 ZTBDBNAEVHEGDU-UHFFFAOYSA-N 432.502 3.598 0 40 IHAB Cn1cc(C(=O)Nc2ccc(Cl)cc2Cl)c2[nH]c(=O)n(Cc3ccccc3)c(=O)c21 9821384 QUWJZKUTWHYDMR-UHFFFAOYSA-N 443.290 3.636 0 40 IHAB COc1cn(CC(=O)Nc2cccc(Cl)c2)c(CSc2nccc(C)n2)cc1=O 10254969 VBBSMAZLKQDBPP-UHFFFAOYSA-N 430.917 3.540 0 40 IHAB O=C(COC(=O)c1ccc(COc2ccccc2)o1)Nc1ccccc1C(=O)NC1CC1 10564422 WDFHNPHCFANTCT-UHFFFAOYSA-N 434.448 3.546 0 40 IHAB O=C(OCc1cc2c(cc1Br)OCCO2)c1ccc(Cn2cccn2)cc1 10822107 FFFHBFAFBFSAAI-UHFFFAOYSA-N 429.270 3.822 0 40 IHAB Cc1cc(N2CCN(C(=O)C3CCN(c4nc5ccccc5o4)CC3)CC2)nc(C(C)C)n1 10824178 GVSLIRZSFKWLSF-UHFFFAOYSA-N 448.571 3.615 0 40 IHAB c1ccc(-c2cn3nc(N4CCN(Cc5ccc6c(c5)OCCO6)CC4)sc3n2)cc1 12519973 UJYWCENVFWZDPA-UHFFFAOYSA-N 433.537 3.551 0 40 IHAB CC[C@H](c1nnc(Sc2cc(C)nc3ccccc23)n1CCN1CCOCC1)N(C)C 12522947 SIAHGKCOZLROFN-HXUWFJFHSA-N 440.617 3.631 0 40 IHAB Cn1ccnc1[C@@H](NC(=O)CCCc1nc2ccccc2c(=O)[nH]1)c1ccc(Cl)cc1 12603242 WOOSXVMBRCUYQJ-NRFANRHFSA-N 435.915 3.539 0 40 IHAB Cc1cccc(C)c1NC(=O)Cn1cnc2c(cnn2-c2cccc(C(F)(F)F)c2)c1=O 12755223 LRUJHRLTVIQBAG-UHFFFAOYSA-N 441.413 3.857 0 40 IHAB O=C(CSc1nnc2ccccn12)N1CCN(C(c2ccccc2)c2ccccc2)CC1 12860926 UIAHMCPBQYOHGI-UHFFFAOYSA-N 443.576 3.755 0 40 IHAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)c1 12867410 LZQZVSXWZQKRNN-UHFFFAOYSA-N 428.832 3.664 0 40 IHAB CCc1c(C)sc2nc(SCCN3CCOC3=O)n(-c3ccc(OC)cc3)c(=O)c12 12913615 ZBIMSLZSVPPBEG-UHFFFAOYSA-N 445.566 3.871 0 40 IHAB CCOC(=O)C1CCN(C(=O)COc2ncnc3sc(-c4ccccc4)cc23)CC1 13074595 SXMCSXPLXAEOPY-UHFFFAOYSA-N 425.510 3.539 0 40 IHAB CCN1CCc2c(sc(NC(=O)c3ccc(Br)s3)c2C(=O)OC)C1 15823464 VLVFRDZKBZTMNR-UHFFFAOYSA-N 429.361 3.989 0 40 IHAB Cc1ccc(NC(=O)CSc2nc(=O)n(Cc3ccccn3)c3c2CCC3)cc1Cl 15882759 WEJVFUPFHDXSRY-UHFFFAOYSA-N 440.956 3.868 0 40 IHAB Cc1ccc(CN(C(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)[C@H]2CCS(=O)(=O)C2)o1 16742580 QMAVWIRJHCDIAZ-HKUYNNGSSA-N 433.570 3.869 0 40 IHAB C[C@H](NC(=O)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc2c(c1)CCCC2 17286971 HIWVCMGEOYDKOA-KRWDZBQOSA-N 446.517 3.979 0 40 IHAB CN(C)S(=O)(=O)c1cccc(C2=N/C(=C\c3ccc(-c4ccccc4F)o3)C(=O)O2)c1 19008911 ICRFTQGJYRGTMO-UYRXBGFRSA-N 440.452 3.681 0 40 IHAB Cc1cc(-c2cnc(NC3CC3)nc2C2CCN(C(=O)Cc3cccc(O)c3)CC2)on1 19122868 XGXCGBMVLHIGGJ-UHFFFAOYSA-N 433.512 3.669 0 40 IHAB COc1ccccc1CC(=O)N[C@H](c1cc(O)n2nc(-c3ccccn3)cc2n1)C(C)C 19445444 LVEVBIWRBXYEMV-DEOSSOPVSA-N 431.496 3.562 0 40 IHAB C=Cn1ncc(CN2CCC(C[C@@H]3CC(c4ccc(F)cc4)=NO3)(C(=O)O)CC2)c1C 19554327 SHGDPYJKHFCNJK-FQEVSTJZSA-N 426.492 3.681 0 40 IHAB COc1cccc(C(=O)N2CCC[C@@](Cc3ccccc3-c3ccncc3)(C(N)=O)C2)c1 19564379 DWPUTKLOQYARFS-SANMLTNESA-N 429.520 3.708 0 40 IHAB Cc1noc2nc(C3CCN(C(=O)[C@H]4CC(=O)N(C(C)C)C4)CC3)cc(C(F)(F)F)c12 19564496 YKXXUPWCOFWARX-AWEZNQCLSA-N 438.450 3.513 0 40 IHAB CNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)c2cccc(OC)c2)C1 19591195 REYZAGRKVVNXSN-MHZLTWQESA-N 443.547 3.968 0 40 IHAB CCc1nnsc1C(=O)N1CCCC[C@H]1c1nc(C)c2c(n1)N(CC1CC1)CCC2 19706253 KLVXSWAWJLXSMJ-SFHVURJKSA-N 426.590 3.729 0 40 IHAB CN(C)C(=O)c1cc([C@H]2CN(C(=O)CCc3ccccc3F)CCO2)nc2ccccc12 19762592 RGXBNLUHIFAGLF-HSZRJFAPSA-N 435.499 3.608 0 40 IHAB O=C(COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)Nc1cc(F)ccc1F 20018979 HIOBYHPDFHOBQO-UHFFFAOYSA-N 446.475 3.503 0 40 IHAB CC1=C(NC(=O)c2cc(-c3ccc4c(c3)OCO4)on2)[C@@H](C)NN1Cc1ccccc1C 20418501 NMXVMTPBJZKXLA-OAHLLOKOSA-N 432.480 3.749 0 40 IHAB Cc1ccccc1[C@@H](NC(=O)CN(c1ccccc1F)S(C)(=O)=O)c1ccccc1 20484753 BPPRBXLOGSQSAG-QHCPKHFHSA-N 426.513 3.806 0 40 IHAB COc1ccc(NC(C)=O)cc1NC(=O)[C@H](c1ccccc1)N1Cc2ccccc2C1=O 20717010 CRWQYMRQRZVRIK-QHCPKHFHSA-N 429.476 3.989 0 40 IHAB CC(=O)Nc1ccc(NC(=O)CCCNC(=O)N2CCc3c([nH]c4ccccc34)C2)cc1 20761030 RSNJJPANEFEKQR-UHFFFAOYSA-N 433.512 3.613 0 40 IHAB biogenic O=C(Nc1ccccc1)N1CCC[C@@H](C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)C1 21636862 ROBNMIGEKJABKP-HXUWFJFHSA-N 440.975 3.928 0 40 IHAB Cc1cc(=O)c(C(=O)N2CCC[C@@H](C(F)(F)F)C2)nn1-c1ccccc1C(F)(F)F 21961220 HLKWIKGIPQWUCV-GFCCVEGCSA-N 433.352 3.974 0 40 IHAB C[C@H]1CN(Cc2csc(NC(=O)COCc3nc4ccccc4s3)n2)C[C@H](C)O1 22302114 GGOLRGZAHBNXFS-KBPBESRZSA-N 432.571 3.517 0 40 IHAB Cc1ccc(N(CC(=O)NCc2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1C 22428148 YXRDKXDPWKNIJH-UHFFFAOYSA-N 426.513 3.954 0 40 IHAB NC(=O)CSc1nnc(SCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)s1 22533888 XVIRWQDNDJXOCJ-UHFFFAOYSA-N 442.897 3.519 0 40 IHAB CCC(CC)c1nnc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)s1 22691694 IPZMEPPCQOXQGH-AWEZNQCLSA-N 442.632 3.851 0 40 IHAB CCN(CC)C(=S)SCC1=C(C(=O)OC)[C@H](c2ccccc2)NC(=O)N1C1CC1 22967647 KQWQYWTVYQZKGK-SFHVURJKSA-N 433.599 3.702 0 40 IHAB CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N(C)Cc2ccccc2Br)c1 23572338 NAHSXNCASGRFHR-UHFFFAOYSA-N 439.375 3.750 0 40 IHAB O=S(=O)(c1cccc(Cl)c1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 23990153 OLPGPYPALQFRCO-UHFFFAOYSA-N 433.986 3.970 0 40 IHAB O=S(=O)(c1ccc(Br)cc1)N1CCN(Cc2cccc3cccnc23)CC1 24207552 LAHZAFUNZHHBNW-UHFFFAOYSA-N 446.370 3.504 0 40 IHAB Cn1c(SCC(=O)N2CCN(Cc3ccccc3)CC2)nnc1-c1ccc(Cl)cc1 25265805 MTRLXOHHWNOWGF-UHFFFAOYSA-N 441.988 3.572 0 40 IHAB COc1ccc(-c2nnc(SCC(=O)N[C@@H](C)c3ccco3)n2C[C@H]2CCCO2)cc1 27205064 GCBBYLMOTGNINC-MAUKXSAKSA-N 442.541 3.695 0 40 IHAB O=C(OCC(=O)N1CCCCCCC1)[C@@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21 27237069 BLZPQCCYJNFXKM-LEWJYISDSA-N 426.557 3.718 0 40 IHAB COc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1S(N)(=O)=O 29600077 HKEWHNUUOMTDLC-UHFFFAOYSA-N 442.337 3.633 0 40 IHAB O=c1oc2ccccc2n1CCSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1 32777063 PLFSZLHRKKSENI-AWEZNQCLSA-N 428.539 3.886 0 40 IHAB C[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc(Cl)ccc2N2CCCCC2)C1=O 33000233 DXJVCIZGXKNABZ-HSZRJFAPSA-N 440.931 3.736 0 40 IHAB O=C1C[C@@H](c2nc3ccccc3n2C[C@@H](O)COc2ccccc2)CN1Cc1ccccc1 33320876 FGVHBRLHTGPBOR-FGZHOGPDSA-N 441.531 3.992 0 40 IHAB COc1cc(C2=N/C(=C/c3ccc(F)c(Br)c3)C(=O)O2)cc(OC)c1OC 33466973 MLRDKXLFDLSGTL-VGOFMYFVSA-N 436.233 3.959 0 40 IHAB O=S(=O)(Nc1ccc(Nc2cc(-n3ccnc3)ncn2)cc1)c1ccccc1Cl 36705815 RQVMPIWDIOSJEW-UHFFFAOYSA-N 426.889 3.860 0 40 IHAB O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(N2CCCN(C(=O)C3CC3)CC2)cc1 38679167 TXCLTKKNORNCMV-QDEBKDIKSA-N 433.508 3.516 0 40 IHAB Cc1cc(C(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)ccc1-n1cnnn1 40079874 NDZLOKFKSSFQEK-UHFFFAOYSA-N 449.518 3.813 0 40 IHAB CS(=O)(=O)N(CC(=O)NCc1ccc(F)cc1)c1cc(Cl)c(Cl)cc1Cl 44899917 BOIKUTNEUGHYIJ-UHFFFAOYSA-N 439.723 3.868 0 40 IHAB CCc1nc(-c2ccc(-n3ccc(C(=O)N4CCN(c5ccc(C)cc5)CC4)n3)cc2)no1 49408753 BJQGJQASKAGRGC-UHFFFAOYSA-N 442.523 3.756 0 40 IHAB CCCn1c(SCC(=O)Nc2ccc(Cl)cc2C(=O)OC)nc2ccccc2c1=O 57472459 YUVUPICDWBZRLO-UHFFFAOYSA-N 445.928 3.977 0 40 IHAB O=C(Nc1cc(-c2ccncc2)n[nH]1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 58157869 KMLLLIPVSZYCHR-UHFFFAOYSA-N 445.932 3.552 0 40 IHAB O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCOc1ccccc1-c1ccccc1 60113560 UYUOMHKAFKZXOO-RRPUWOKSSA-N 439.581 3.574 0 40 IHAB C[C@@H]1CCCN(c2nc3ncn(CC(=O)Nc4ccc(Cl)cc4F)c(=O)c3s2)C1 67226197 JPZVRPJCEBCSNF-LLVKDONJSA-N 435.912 3.521 0 40 IHAB O=C(Cn1c(=O)cc(-c2nc(-c3ccccn3)no2)c2ccccc21)N1CCc2ccccc21 67318498 SBURMFZEVOIJLV-UHFFFAOYSA-N 449.470 3.703 0 40 IHAB Cc1ccc2c(c1)N(C(=O)CN1C(=O)C(c3ccccc3)=NC13CCC(C)CC3)CCO2 71327898 MLVVNEKYQHICQB-UHFFFAOYSA-N 431.536 3.958 0 40 IHAB Cn1nc(C(=O)NCc2cccc(-c3n[nH]cc3-c3ccncc3)c2)cc1C(F)(F)F 72345000 YXXYJDMESHQGGD-UHFFFAOYSA-N 426.402 3.821 0 40 IHAB CC(C)Oc1cc(CCC(=O)N2CCNC(=O)[C@H]2Cc2ccccc2-c2ccccc2)on1 72351582 WJTQMKAWWXWHAB-HSZRJFAPSA-N 447.535 3.631 0 40 IHAB COc1ccccc1CCCNc1cc(Cn2c(C)nc3ccccc3c2=O)nc(C)n1 72373266 SRPZMNIZVKZOTK-UHFFFAOYSA-N 429.524 3.905 0 40 IHAB 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COc1ccccc1NC(=O)Cn1c(C)c(Br)c(=O)c2cccc(OC)c21 227163016 AHLPWHLCLQTHPZ-UHFFFAOYSA-N 431.286 3.728 0 40 IHAB COc1cc2cc(N)c([C@@H]3CCCN(C(=O)[C@H]4CC[C@H](OC)CC4)C3)nc2cc1OC 257211233 BYAHNFPVJXFKJW-JFIYKMOQSA-N 427.545 3.745 0 40 IHAB CC(=O)N[C@@]1(C)C[C@H](c2ccc(OCCN3CCCC3=O)cc2)O[C@@H]2C[C@H](C)CC[C@H]21 257232625 GLRKMRKCPRFSLT-RHGXVNNXSA-N 428.573 3.849 0 40 IHAB Cc1ccc2[nH]nc(C(=O)N3CCO[C@@H](c4cc(CCOc5ccccc5F)[nH]n4)C3)c2c1 257245890 IRNLIZFOVRKCOB-JOCHJYFZSA-N 449.486 3.569 0 40 IHAB CCNC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)Cc2cccnc2)CC1 257249548 JIWJRJUMRSGDND-UHFFFAOYSA-N 442.563 3.674 0 40 IHAB Cc1cc(C)nc(NCCCC(=O)N2[C@H]3CCCC(=O)N[C@@]3(C)C[C@H]2Cc2ccccc2)n1 257295827 RABJDXWFNBGFNV-UFPGJGBJSA-N 449.599 3.557 0 40 IHAB CCCc1cc(C(=O)N2CCC(c3nnc([C@H]4CCCCN4C(=O)C(C)C)o3)CC2)no1 257310346 UESACYJDEVKZEQ-LJQANCHMSA-N 443.548 3.740 0 40 IHAB Cc1cccnc1CN1CCC[C@@H]1c1cc2nc(C)c(CCC(=O)NCC3CC3)c(C)n2n1 257330504 XORQSIPIRPJDJT-XMMPIXPASA-N 446.599 3.845 0 40 IHAB 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CCCC[C@H](CC)CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1cccc(OC)c1 408709504 BZLBIVHRMRYMNN-SFHVURJKSA-N 439.556 3.896 0 40 IHAB COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cccc(F)c3)C2=O)ccc1Cl 409172117 HWWNOEFEWQUOFX-LZYBPNLTSA-N 448.859 3.941 0 40 IHAB CCCN1CCN(Cc2cnc[nH]2)C[C@H](Cc2ccccc2-c2ccccc2OC)C1=O 585183597 JTTODPUDCRHUNM-NRFANRHFSA-N 432.568 3.998 0 40 IHAB CC(C)(NC(=O)c1cccc(F)c1)C(=O)N1CCOC[C@H](Cc2ccc3ccncc3c2)C1 585262056 AIJBNDDUAFHSBW-LJQANCHMSA-N 449.526 3.600 0 40 IHAB CN1CCN(c2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2C(F)(F)F)CC1 2037849999 FUOWUOSETQKHJJ-UHFFFAOYSA-N 431.414 3.816 0 40 IHAB CC(C)Oc1ccc(C(=O)N[C@]2(C(F)(F)F)NC(=O)N(CC3CCCCC3)C2=O)cc1 2333081 VCNQYLMZFJVUCI-FQEVSTJZSA-N 441.450 3.594 0 40 IHAB O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2c(=O)n3c(nc2c1)CCCCC3 2621810 QOQCIYUVLDGLHZ-UHFFFAOYSA-N 430.552 3.517 0 40 IHAB O=C1C[C@@H](Sc2nnc(-c3ccccc3O)o2)C(=O)N1c1ccc(Br)cc1 2700534 RRTRYLVVJXCDTO-CQSZACIVSA-N 446.282 3.629 0 40 IHAB CCOC(=O)COc1cccc2c(=O)n(CC(=O)Nc3ccc(Cl)c(Cl)c3)ccc12 2712223 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COc1ccc(N(Cc2cccs2)C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1 8900601 KJBAVKJDVBGZCA-UHFFFAOYSA-N 441.553 3.791 0 40 IHAB COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1c1ncnc2sc3c(c12)CCC3 9112212 BHCAGKILAQMHTK-MRXNPFEDSA-N 439.537 3.864 0 40 IHAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 9126372 XUTMYPQORBQNIW-GOSISDBHSA-N 427.932 3.564 0 40 IHAB NS(=O)(=O)c1ccc(NC(=O)[C@H](Sc2nc3ccccc3[nH]2)c2ccccc2)cc1 9191563 UJQMKARCEIESJG-LJQANCHMSA-N 438.534 3.682 0 40 IHAB Cc1noc(C)c1COc1ccc(CC(=O)N(C)Cc2ccccc2N2CCOCC2)cc1 9220850 SVJCQYMGVQRKGJ-UHFFFAOYSA-N 449.551 3.908 0 40 IHAB COc1ccccc1OCCSc1nnc(CC(=O)Nc2ccccc2Cl)n1C 9262169 OWSMUEZPLOIRBH-UHFFFAOYSA-N 432.933 3.829 0 40 IHAB Cc1ccc(C)c(NC(=O)CSc2nnc(NC(=O)COc3ccccc3)s2)c1 9364959 RQQWSFWOUIKFLO-UHFFFAOYSA-N 428.539 3.903 0 40 IHAB O=C(c1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@H]2[C@H]2CCCN12 9451934 TYBYAPIGYJYMEO-XZKMEQPCSA-N 447.293 3.968 0 40 IHAB O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)Nc1ccc(-c2nccs2)cc1 9462616 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CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2Oc2ccc(C)cc2)c1=O 12975269 UAQIOHDEUNTHHQ-UHFFFAOYSA-N 429.476 3.923 0 40 IHAB O=C(Nc1ccc(CC(=O)N2CCOCC2)cc1)c1cc(Br)ccc1Cl 13714445 ZVFIRNVNWXILQW-UHFFFAOYSA-N 437.721 3.756 0 40 IHAB Cc1sc2nc(-c3cccnc3)nc(NCc3ccc(S(N)(=O)=O)s3)c2c1C 15130539 PNXKWZFZNXPFJT-UHFFFAOYSA-N 431.568 3.691 0 40 IHAB CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2ccccc2F)o1 15999062 GNLHLFDVWOHLNE-WFASDCNBSA-N 427.498 3.795 0 40 IHAB CCCC(=O)NC(=S)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1 17099326 YSQUKIDLTCUVFJ-UHFFFAOYSA-N 434.949 3.509 0 40 IHAB O=C(Cc1cccs1)N1CCCC[C@H]1c1nc(O)c2c(n1)CN(C1CCCC1)CC2 19343213 JZYBLKQKAYXBQX-FQEVSTJZSA-N 426.586 3.841 0 40 IHAB C=Cn1cc(CN2CCC(C[C@@H]3CC(c4ccccc4F)=NO3)(C(=O)O)CC2)c(C)n1 19584171 LTIWSMMCJHLMDI-SFHVURJKSA-N 426.492 3.681 0 40 IHAB Cc1nn(C)cc1C(=O)N1CCC[C@H](c2nc(C)c3c(n2)N(Cc2ccccc2)CCC3)C1 19706913 QOWJHTCKDYHNOC-NRFANRHFSA-N 444.583 3.800 0 40 IHAB CCN1c2cc(OC)c(OC)cc2C(C)=C(C(=O)Nc2cccc(Cl)c2)S1(=O)=O 20064035 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O=C(Nc1ccccc1Oc1ccccc1Cl)N1CCN(C(=O)[C@H]2CCCO2)CC1 58160974 UKBNGKMNMLJDEG-HXUWFJFHSA-N 429.904 3.987 0 40 IHAB CNS(=O)(=O)c1ccc(-c2cccs2)c(C(=O)N[C@H]2CCOc3ccccc32)c1 58168344 YAMJZKROHUSXRK-SFHVURJKSA-N 428.535 3.577 0 40 IHAB CN(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)c1cc(-c2ccccc2)[nH]n1 58264012 PFZBQEGXPCURLQ-UHFFFAOYSA-N 429.480 3.675 0 40 IHAB O=C(Nc1ccc(F)c(N2CCCC2=O)c1)c1cn(-c2ccccc2C(F)(F)F)nn1 58406979 HRULTFZGDLGZLJ-UHFFFAOYSA-N 433.365 3.804 0 40 IHAB O=C(Cn1cc(C(=O)c2ccco2)c2ccccc21)NCc1ccc2c(c1)OCCCO2 64987056 IHMRMHFKUNUYKU-UHFFFAOYSA-N 430.460 3.943 0 40 IHAB COc1cccc(CNC(=O)c2cn(-c3ncccc3-c3nc(C(C)(C)C)no3)cn2)c1 71768603 XIPSHDLRGHVPEF-UHFFFAOYSA-N 432.484 3.553 0 40 IHAB CCn1c(SCC(=O)Nc2nccs2)nnc1[C@H](NC(=O)c1ccccc1)C(C)C 72191640 QRXMEMGISOKGHI-MRXNPFEDSA-N 444.586 3.612 0 40 IHAB Cc1nn(Cn2ccc(C(=O)N[C@H](CCN(C)C)c3ccc(Cl)cc3)n2)c(C)c1Cl 72244090 LKLHTUFDILKZPW-GOSISDBHSA-N 449.386 3.932 0 40 IHAB CCOC(=O)[C@]1(Cc2cc(-c3ccc(F)cc3)no2)CCCN(C(=O)[C@]2(C)CCCO2)C1 72394116 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IHAB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cccn3-c3ccc(C)c(C)c3)C2=O)c1 409083177 AAGJCKPINMDAMM-HYARGMPZSA-N 428.492 3.934 0 40 IHAB CCOC(=O)c1cc(NC(=O)CSc2nnc(Cc3ccccc3)n2C)ccc1Cl 409199439 CRBHFNFEPQYLAA-UHFFFAOYSA-N 444.944 3.967 0 40 IHAB C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1C(=O)CCn1cnc2ccccc2c1=O 552837431 OMYAWHIHOWFHKZ-QRWLVFNGSA-N 445.441 3.794 0 40 IHAB O=C(C1CC(F)C1)N1CCC2(CC1)C[C@H](COCC1CC1)N(C(=O)c1ccccc1)C2 585103833 QEZBQPQFXBLPLI-LZBANZJXSA-N 428.548 3.685 0 40 IHAB Cc1cccnc1Nc1cncc([C@H]2CCCN(C(=O)CCOc3cccc(F)c3)C2)n1 585169381 ZZPMNBIOXSZDOC-SFHVURJKSA-N 435.503 4.238 0 40 IHAB O=C(NCCc1ccc(F)cc1)c1ccc2c(c1)Cc1cccc(c1)CNCCOCCO2 643584491 OGMWTYXZVOMHOE-UHFFFAOYSA-N 448.538 3.888 0 40 IHAB CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(OCCN(C)C)cc1 678300736 SEHLVJYLQGXTIM-UHFFFAOYSA-N 443.363 3.589 0 40 IHAB CCOC(=O)[C@H]1C[C@](C(C)=O)(c2ccc(Cl)cc2)CN1S(=O)(=O)c1ccc(C)cc1 1547139795 YHJFHRLGPSKZJS-IRLDBZIGSA-N 449.956 3.502 0 40 IHAB Cc1nc(N2CCC[C@H](COc3ncc(Br)cn3)C2)cc(C(F)(F)F)n1 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O=C(COc1ccc(Cl)cc1)Nc1c2c(nn1-c1cccc(Cl)c1)C[S@@](=O)C2 9413446 SHDOYWXVDCYTMV-MUUNZHRXSA-N 436.320 3.959 0 40 IHAB CCCCC1CCC(C(=O)Nc2nnc(SCC(=O)NC[C@@H]3CCCO3)s2)CC1 9600097 CEWFYALYCPDSHE-GPANFISMSA-N 440.635 3.861 0 40 IHAB O=C(c1csc(-c2cccs2)n1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 9725362 PZCALNKIMBWQBD-RIYZIHGNSA-N 445.591 3.630 0 40 IHAB CCOC(=O)c1c(NC(=O)CN2CCC(C(=O)OC)CC2)sc(-c2ccccc2)c1C 9753443 OCPYMJLHIBHUQS-UHFFFAOYSA-N 444.553 3.724 0 40 IHAB CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)Cn1cnc2ccccc2c1=O 9884260 MBCNGVUKFYNEQK-UHFFFAOYSA-N 437.477 3.842 0 40 IHAB C[C@H](c1nnc(SCC(=O)NCc2ccco2)n1-c1ccc(F)cc1)N1CCCCC1 9949831 TVLZHGDZTXKOMN-MRXNPFEDSA-N 443.548 3.955 0 40 IHAB COc1cc(C)c(CN2CCC(c3cc(C(F)(F)F)n4ncnc4n3)CC2)cc1OC 12188574 XRIJNMFRDCOOQD-UHFFFAOYSA-N 435.450 3.848 0 40 IHAB C[C@H](C(=O)Nc1ccc(Br)cc1)N(C)Cc1ccccc1N1CCOCC1 12561545 JNOLAZQZUYUOLB-MRXNPFEDSA-N 432.362 3.745 0 40 IHAB CNC(=O)[C@H](c1ccc(Cl)cc1)N(C)Cc1cc2c(cc1Br)OCCO2 12688186 MMSTXABAMLUBHO-SFHVURJKSA-N 439.737 3.793 0 40 IHAB CCOC(=O)[C@H](CC(=O)c1ccc(OC)cc1)c1cc(=O)oc2c(OC)c(OC)ccc12 12900343 LBUGNBJBMLKAGH-GOSISDBHSA-N 440.448 3.739 0 40 IHAB biogenic COc1cc(OC)c(NC(=O)CN2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1Cl 12914851 UZEBAXHHNUFCKH-HNNXBMFYSA-N 431.920 3.646 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN[C@H](C)c1cccc(C(F)(F)F)c1 13039303 BCSTXEPDBPKFTC-CQSZACIVSA-N 443.491 3.553 0 40 IHAB C[C@H]1CCC[C@@H](C)N1C(=O)Cn1c(SCC(=O)NCc2ccco2)nc2ccccc21 13082902 QRAGJHDZIPZQJW-CALCHBBNSA-N 440.569 3.827 0 40 IHAB CCCCN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC1CCCC1)c1cccs1 13497108 QPWQMMZSPHOBBD-QFIPXVFZSA-N 439.585 3.922 0 40 IHAB COc1ccc([C@H](c2nnnn2C2CCCC2)N2CCN(c3cccc(OC)c3)CC2)cc1 13503878 KKXYIKXKOZAHSQ-XMMPIXPASA-N 448.571 3.717 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCCN3CCC(C)CC3)c2C)cc1 13668368 RDPWAQFTTVCARQ-UHFFFAOYSA-N 443.613 3.956 0 40 IHAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)n2c(s/c(=C/c3ccoc3)c2=O)=N1 13881939 BBBDYXPIASBCAD-YWFITGJYSA-N 447.541 3.528 0 40 IHAB COc1ccccc1N(CC(=O)N(C)C1CCCCC1)S(=O)(=O)c1ccc(C)cc1 14357064 RKDZBKOWJZVUHO-UHFFFAOYSA-N 430.570 3.990 0 40 IHAB COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Oc3ccccc3OC)c2)cc1 14472603 ZDPJLPQOPFUIDQ-UHFFFAOYSA-N 427.478 3.748 0 40 IHAB Cc1ccc(C)c(C(=O)c2ccccc2C(=O)Nc2ccc(N3CCN(C)CC3)nc2)c1 14522015 PFYIOYJCUSEWIL-UHFFFAOYSA-N 428.536 3.934 0 40 IHAB Cc1ccc([C@H](NC(=O)CN(C)Cc2nc3ccccc3c(=O)[nH]2)c2cccs2)cc1 15447887 QELFSOSJMFGCGH-QHCPKHFHSA-N 432.549 3.631 0 40 IHAB CCOC(=O)c1c(NC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)sc(C)c1C 15587898 IIEXGRRQLMTCRF-UHFFFAOYSA-N 429.473 3.787 0 40 IHAB C[C@H](NC(=O)COc1ccccc1C(=O)Nc1ccccc1)c1ccc2c(c1)OCCO2 16685003 YJBLTFAJTHRAGD-KRWDZBQOSA-N 432.476 3.966 0 40 IHAB CC(C)C(=O)N1CCC(c2nc(O)cc([C@@H]3CCCN(C(=O)[C@@H]4CC=CCC4)C3)n2)CC1 19085257 ZCBDAZIQPZBEIM-WOJBJXKFSA-N 440.588 3.607 0 40 IHAB Cc1ncc(-c2ccncc2C)c([C@@H]2CCCCN2S(=O)(=O)c2c(C)noc2C)n1 19239801 MOGJVPUEHFMTAC-IBGZPJMESA-N 427.530 3.676 0 40 IHAB CC(C)NC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)c2ccn(C)n2)C1 19449467 QMGIDFIEXXDPQO-SANMLTNESA-N 430.552 3.687 0 40 IHAB CCn1cc(S(=O)(=O)N2CCCCC[C@@H]2c2cc(-c3ccc(OC)cc3)on2)cn1 19525073 VUQOODQECMDRJM-HXUWFJFHSA-N 430.530 3.873 0 40 IHAB CCOc1cc(C)ccc1OCC(=O)N1CCO[C@H](c2nc(-c3ccccc3C)no2)C1 19532256 DRAIEMSDIIBECG-NRFANRHFSA-N 437.496 3.731 0 40 IHAB Cc1nonc1C(=O)N1CCO[C@H](c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)C1 19692903 ZCNIDHIYAPTPGL-SFHVURJKSA-N 432.402 3.596 0 40 IHAB Cc1noc(C)c1C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccccc2F)CC1 19746619 QTGSAWOCOPDADM-OAQYLSRUSA-N 427.520 3.907 0 40 IHAB Cn1cc(C(=O)Nc2ccc(F)cc2)c(CC2CCN(C(=O)C[C@H]3CCCCO3)CC2)n1 19758629 GSWSKSAJAOCKGS-HXUWFJFHSA-N 442.535 3.552 0 40 IHAB CNC(=O)c1cc([C@H]2CCN(Cc3cn[nH]c3-c3cccc(OC)c3)C2)nc2ccccc12 19761948 ANWDXDLXLVWUTN-SFHVURJKSA-N 441.535 3.983 0 40 IHAB O=C(NC(=S)Nc1cc(C(=O)O)c(Cl)cc1Cl)c1ccc2c(c1)OCCO2 20152510 NGZJJUHGJJBSKJ-UHFFFAOYSA-N 427.265 3.590 0 40 IHAB Oc1cc(OCCN2CCOCC2)ccc1-c1n[nH]cc1-c1ccc(Br)cc1 20591533 DUIDRYDLUCRDNU-UHFFFAOYSA-N 444.329 3.923 0 40 IHAB CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1ccc(SC)cc1 20802146 ZNFWSEIEMBPUIN-VQTJNVASSA-N 439.537 3.520 0 40 IHAB CCOC(=O)Cc1csc(NC(=O)c2cccnc2SCc2c(C)noc2C)n1 21031099 PGMNRPAZNWYVRA-UHFFFAOYSA-N 432.527 3.793 0 40 IHAB C[C@@H](OC(=O)c1cn(C)nc1-c1ccc2c(c1)OCCCO2)C(=O)Nc1ccccc1F 21414687 YEZPMZLTOYPDRF-CQSZACIVSA-N 439.443 3.572 0 40 IHAB C[C@H]1CCc2c(sc3nc(CN4CCOCC4)nc(NCCNc4ccccn4)c23)C1 23425814 MZCXCMJVLUURBO-INIZCTEOSA-N 438.601 3.567 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)CCc3ccccc3)CC2)cc1 23652276 FCLCDCZCMRKDHQ-LJQANCHMSA-N 444.597 3.624 0 40 IHAB CCc1ccccc1NC(=O)CN1CCN(Cc2nc(-c3ccccc3Cl)no2)CC1 24776670 ITCLMJNXGYYVCY-UHFFFAOYSA-N 439.947 3.709 0 40 IHAB Cc1noc(C)c1CSc1ncccc1C(=O)N1CCN(C(=O)c2cccs2)CC1 25272635 LIWHNLPWLGBDOJ-UHFFFAOYSA-N 442.566 3.638 0 40 IHAB O=C(NC1CCCC1)[C@H](Cc1ccccc1)NS(=O)(=O)c1c(Cl)cccc1Cl 27065107 ZNZYRCHYZUVTMG-SFHVURJKSA-N 441.380 3.942 0 40 IHAB CCN(C(=O)[C@H](C)Nc1ccc2c(c1)c1ccccc1n2CC)[C@H]1CCS(=O)(=O)C1 28908490 UWKBFDCBTKRPJV-WMZOPIPTSA-N 427.570 3.650 0 40 IHAB COC(=O)c1cn(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)c2ccccc12 29797682 WPABFQDADOENHE-FQEVSTJZSA-N 434.492 3.953 0 40 IHAB O=C(CSCc1coc(-c2ccc(Cl)cc2)n1)N1CCN(C(=O)c2ccco2)CC1 31423523 BVNAFEDQCLPJSY-UHFFFAOYSA-N 445.928 3.806 0 40 IHAB Cc1cccc(NC(=O)C[C@]23CSc4[nH]c(=O)sc4[C@H]2c2ccccc2OC3=O)c1 32594664 RTYKHDNSCSRPPR-VGSWGCGISA-N 438.530 3.917 0 40 IHAB COc1cc(CNC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)ccn1 32905182 WYOIYDAPKHDNDC-UHFFFAOYSA-N 428.842 3.690 0 40 IHAB O=C(Cn1nc(-c2ccccc2)c2sc(N3CCCC3)nc2c1=O)OCc1ccccc1 35590640 JNVILPQDJNKBKN-UHFFFAOYSA-N 446.532 3.864 0 40 IHAB CCn1cc([C@H](C)NC(=O)c2cc(-c3ccc(OC)cc3)nc3c2c(C)nn3C)c(C)n1 36613230 GDRYJDQMCKLOFY-AWEZNQCLSA-N 432.528 3.968 0 40 IHAB O=C(CSc1nccn1-c1ccc(C(=O)NCc2ccco2)cc1)NC1CCCCC1 38654166 MTILUYXCKQUUQZ-UHFFFAOYSA-N 438.553 3.936 0 40 IHAB Cc1ccc(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1Cl 38849711 GXPCWZRFNKVCRU-QGZVFWFLSA-N 429.325 3.858 0 40 IHAB CC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3csc(C4CCCCC4)n3)CC2)cc1 40153520 RWMVHOQVSITULX-UHFFFAOYSA-N 447.626 3.900 0 40 IHAB Cc1cccc(CSCCNC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)c1 44901142 GYUJVEMRXLANIM-UHFFFAOYSA-N 446.638 3.974 0 40 IHAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1)O2 44906146 JBMFRDKRLARHTO-HRAATJIYSA-N 430.570 3.697 0 40 IHAB Cc1ccc([C@H]2[C@@H](Oc3ccccc3F)C(=O)N2CCCCN2CCOCC2)cc1C 48251016 WDHUKSGVZAOITP-BJKOFHAPSA-N 426.532 3.886 0 40 IHAB CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)COc2cccc(Br)c2)C1 48332773 HLZUXECEJPEKPP-AWEZNQCLSA-N 427.339 3.591 0 40 IHAB Cc1cc(C)c(NC(=O)Cn2c(=O)n(-c3ccccc3F)c(=O)c3sccc32)c(C)c1 57490458 FBNGUVRQLOTCNC-UHFFFAOYSA-N 437.496 3.917 0 40 IHAB CCCCn1c(SCC(=O)Nc2ccc(OC)cc2OC)nc2cc(C)[nH]c2c1=O 67238312 MDXKQHJDSDMRPW-UHFFFAOYSA-N 430.530 3.581 0 40 IHAB O=C(c1cnc2ccc(Cl)cc2c1NCc1ccc2c(c1)OCO2)N1CCOCC1 67288352 HSADDVHSVPFWJW-UHFFFAOYSA-N 425.872 3.701 0 40 IHAB Cc1ccc(C)c([C@H]2NC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C3=C2C(=O)OC3)c1 67288606 LLFYEHDSOCRNSP-OAQYLSRUSA-N 439.899 3.781 0 40 IHAB COc1cccc(-n2c(=O)[nH]c3cc(-c4nc(-c5ccc(C)cc5)no4)ccc3c2=O)c1 67341543 WKXNCTYJNDAVQS-UHFFFAOYSA-N 426.432 3.713 0 40 IHAB CCOc1ccc(CC(=O)N2CCN(C)C(=O)[C@@H]2Cc2cccc(-c3ccncc3)c2)cc1 72351677 SXEMZCJYWYWDRI-VWLOTQADSA-N 443.547 3.602 0 40 IHAB Cc1nn([C@@H](C)CC(=O)N2CCNC(=O)[C@@H]2Cc2cccc(-c3ccccc3)c2)c(C)c1C 72351789 GGVQWOPNAZTIOC-BVZFJXPGSA-N 444.579 3.996 0 40 IHAB CC(C)C(=O)N1CCC(c2nc([C@H]3CCCN(Cc4ccc(F)cc4)C3)cc(=O)[nH]2)CC1 72399211 OBNBZOKNHGNGCS-FQEVSTJZSA-N 440.563 3.651 0 40 IHAB COc1ccccc1-c1cc(C(=O)N2CCc3nc(NC(=O)c4ccco4)sc3C2)[nH]n1 77143785 SILMDRDBJABVDT-UHFFFAOYSA-N 449.492 3.586 0 40 IHAB Cc1cc(C)nc(Nc2cccc(C(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)c2)n1 79478701 GOBCDDGEGOQSIP-UHFFFAOYSA-N 437.525 3.629 0 40 IHAB CC(C)Cc1sc(NC(=O)CCC(=O)NCCn2ccc3ccccc32)nc1C(=O)O 95475788 HSJIQGAVFDXNCY-UHFFFAOYSA-N 442.541 3.530 0 40 IHAB Cc1nn(C)c(C)c1-c1cc(C(=O)NCCn2ccc3ccc(Br)cc32)n[nH]1 95479793 KVLYVKUPBNBKGU-UHFFFAOYSA-N 441.333 3.574 0 40 IHAB COc1ccc([C@@H]2CCCN2C(=O)c2cccc(N3NC(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)cc1 106756455 JBQKNBOPOYOXCD-VJBWXMMDSA-N 445.519 3.633 0 40 IHAB COc1ccc(C)cc1N([C@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1)S(C)(=O)=O 220339005 LXOUWVITASKJGK-CYBMUJFWSA-N 430.448 3.816 0 40 IHAB COc1cccc(CCCNC(=O)CCCN(c2cc(C)cc(C)c2)S(C)(=O)=O)c1 222572882 IJXIZISWCYVCJM-UHFFFAOYSA-N 432.586 3.607 0 40 IHAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccccc1OC 222684255 DZYVFGQDPQSLQP-ZDUSSCGKSA-N 425.312 3.544 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC3CCCCCC3)cc2)cc1OC 223990663 JLMCMSQWWPUQTN-UHFFFAOYSA-N 432.542 3.957 0 40 IHAB CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C)c1ccc(OC)c(C)c1 225546343 IFNDIRQIERJIQL-OAQYLSRUSA-N 430.570 3.978 0 40 IHAB CCCOc1ccccc1CCCNC(=S)Nc1cccc(N(C)S(C)(=O)=O)c1 225625395 FGGLPAHNWAXFNR-UHFFFAOYSA-N 435.615 3.790 0 40 IHAB Cc1ncccc1O[C@H]1CCN(Cc2cc(C(C)(C)C)ccc2OCC(=O)O)CC[C@@H]1O 257263875 LRVAATJVAIXDEJ-REWPJTCUSA-N 442.556 3.555 0 40 IHAB Cc1ccc(CS(=O)(=O)N2CCC(c3cccc(Nc4cnccn4)n3)CC2)cc1C 257283717 OZNGYJJYWGBVSF-UHFFFAOYSA-N 437.569 3.941 0 40 IHAB Cc1cc(Nc2nc(C)cs2)cc([C@@H]2CN(C(=O)Cc3c(C)noc3C)CCO2)n1 257332665 XYEZGDIIEKEFFY-IBGZPJMESA-N 427.530 3.646 0 40 IHAB O=C(c1ccccc1Cn1cccn1)N1CCOC[C@H](Cc2cncc3ccccc23)C1 257334357 YFNWMMYWIDITES-HXUWFJFHSA-N 426.520 3.811 0 40 IHAB Cc1ccsc1CN1C[C@@H](c2cccnc2)[C@@]2(C1)OCCN(Cc1ccsc1)C2=O 306128624 HGHWWYJQVDDHLF-NZQKXSOJSA-N 439.606 3.910 0 40 IHAB CCOc1cc(C(=S)N2CCOCC2)ccc1OCC(=O)Nc1ccccc1CC 409232911 JANVDHJXUCHDPL-UHFFFAOYSA-N 428.554 3.673 0 40 IHAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(CC(=O)Nc2ccccc2)n1C 409340396 WLMNKZWKBGIPJD-UHFFFAOYSA-N 429.933 3.689 0 40 IHAB C[C@@H](CN1CCOCC1)N1CCN(c2cccc(OCc3ccccc3Cl)c2)CC1 549674839 XVCTYPJVOPVCCA-FQEVSTJZSA-N 429.992 3.762 0 40 IHAB COc1ccc(Br)c(C(=O)NC[C@](O)(c2ccccc2)C2CCOCC2)c1 575614023 ZIIXLOOFXAGXEQ-NRFANRHFSA-N 434.330 3.502 0 40 IHAB Cc1cc(C(=O)N2CCNC(=O)[C@H]2c2ccccc2F)c2ccc(Br)cc2n1 680127566 SHCBMSYJGRVSRU-LJQANCHMSA-N 442.288 3.758 0 40 IHAB CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 1888929358 ZRYYDHRYCKYPLN-UHFFFAOYSA-N 437.487 3.751 0 40 IHAB CCn1cc(S(=O)(=O)N2CCC(c3ccc4cc(C5CC5)cnc4n3)CC2)nc1C 1890957995 LXWYJXWQNXDLML-UHFFFAOYSA-N 425.558 3.600 0 40 IHAB CCCN1CCCCCOc2ccc(C(=O)NCCC(N)=O)cc2Cc2cccc(c2)C1 2037949525 RQSDGMYCFSXWCX-UHFFFAOYSA-N 437.584 3.657 0 40 IHAB O=C(N/C(C(=O)N1CCOCC1)=C(/Sc1ccccn1)c1ccccc1)c1ccccc1 820645 VRFRWYRQQJQMST-GHVJWSGMSA-N 445.544 3.831 0 40 IHAB O=c1[nH]c2cc3c(cc2cc1CN(C(=S)NCc1ccco1)C1CCCC1)OCCO3 891201 LSNQRMGWVIDHCB-UHFFFAOYSA-N 439.537 3.712 0 40 IHAB CCCCNC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 2093732 DLDZYYCLYLMTKQ-UHFFFAOYSA-N 425.348 3.561 0 40 IHAB CCN(c1ccc(NC(=O)COC(=O)c2ccc(OC)c(OC)c2OC)cc1)C(C)C 3219432 PGTPKAALRZSOBC-UHFFFAOYSA-N 430.501 3.743 0 40 IHAB O=C(CSc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1)NC[C@@H]1CCCO1 3411148 NQNFCCKQFVYQHN-IBGZPJMESA-N 426.517 3.520 0 40 IHAB O=C(c1cc2c(s1)CCCCC2)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 3435656 LCWWZUGOESPGKK-LFIBNONCSA-N 430.595 3.776 0 40 IHAB CSc1nc(COC(=O)NC(C)C)c(COC(=O)NC(C)C)n1Cc1ccccc1 5479392 QWQTZJRGVHHDAR-UHFFFAOYSA-N 434.562 3.923 0 40 IHAB CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3cn4cc(Cl)ccc4n3)c2)CC1 6079827 JPGIUONIZPRPCT-UHFFFAOYSA-N 447.944 3.619 0 40 IHAB O=C(C1CCN(S(=O)(=O)c2cccs2)CC1)N(c1ccccn1)C1CCCCC1 6142081 RVLGPVMOCDEXDH-UHFFFAOYSA-N 433.599 3.910 0 40 IHAB C[C@@H]1C[C@H](Nc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2Cl)CC(C)(C)C1 9001565 KJTBTGMIECEPBR-HIFRSBDPSA-N 429.952 3.752 0 40 IHAB COc1cc([C@H]2CC(=O)N(c3cccc(Cl)c3)C3=C2C(=O)OC3)cc(OC)c1OC 9031661 FWIBRKLNKPKIKI-OAHLLOKOSA-N 429.856 3.697 0 40 IHAB COc1cc(/C=C/C(=O)NC(=S)N2CCCC[C@@H]2c2cccnc2)cc(OC)c1OC 9108802 SFPOCKXWIAAXEK-QZEKMECESA-N 441.553 3.749 0 40 IHAB Cc1nnc2n1N[C@@H](c1ccccc1)[C@H](C(=O)Nc1ccc(Br)cc1)S2 9237930 WLHYYHLVAWEZPE-JKSUJKDBSA-N 430.331 3.747 0 40 IHAB COc1ccc(-c2coc3cc(OCC(=O)Nc4cccnc4)ccc3c2=O)cc1OC 9422056 KJJYIUQHUXRACP-UHFFFAOYSA-N 432.432 3.890 0 40 IHAB CCCc1cc(=O)n(CC(=O)Nc2ccc(OC(F)(F)F)cc2)c(-n2nc(C)cc2C)n1 9761577 LEWJQRVQBNPSBM-UHFFFAOYSA-N 449.433 3.536 0 40 IHAB Cc1cccnc1-n1c(SCC(=O)NCc2ccc(F)cc2)nc2ccccc2c1=O 9791667 WUJYSIMBPPVYFE-UHFFFAOYSA-N 434.496 3.637 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)Nc2ccccc2O3)cc1OC 9827893 BQKJZUHMJGWBHC-UHFFFAOYSA-N 426.450 3.863 0 40 IHAB Cc1ccc(C)c(NC(=O)Cn2c(=O)n(Cc3ccc(Cl)cc3)c(=O)c3cccnc32)c1 9831042 KGMNSGHLWVJZGH-UHFFFAOYSA-N 448.910 3.515 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](c3ccc(C)cc3)C3CC3)CC2)cc1 11234657 YGGGLTJEGIPWFH-QHCPKHFHSA-N 442.581 3.672 0 40 IHAB Cc1cccc(-n2ncc3c(O)nc(-n4nc(C)cc4NC(=O)c4ccc(F)cc4)nc32)c1 11695382 RNJROILIJUHYBW-UHFFFAOYSA-N 443.442 3.715 0 40 IHAB COc1cc(C(=O)OCCSc2nnc3sc4ccccc4n23)cc(OC)c1OC 12324533 OHDKJMHHLRWBEL-UHFFFAOYSA-N 445.522 3.919 0 40 IHAB Cn1ccnc1[C@@H](NC(=O)c1cccc(I)c1)c1ccccc1F 12630007 YAXFGFODPLYDBO-INIZCTEOSA-N 435.240 3.683 0 40 IHAB CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)NCC1CCCCC1 12632607 NPYCZKDKBANKQD-KRWDZBQOSA-N 427.408 3.997 0 40 IHAB O=C1N(c2cccc(C(F)(F)F)c2)[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1 12636190 VWYILPZCEBAWJO-JKSUJKDBSA-N 430.835 3.971 0 40 IHAB CCC(C)(C)NC(=O)c1ccc2c(c1)N(CC(=O)N1[C@H](C)CCC[C@H]1C)C(=O)C(C)(C)O2 12875932 BFPYZXQKYGYYHN-IAGOWNOFSA-N 443.588 3.899 0 40 IHAB CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 13084643 BAEJJFKZRPSGHJ-OKZBNKHCSA-N 428.620 3.591 0 40 IHAB Cc1[nH]c2ccc(C(=O)OCc3cc(=O)n4cc(Br)ccc4n3)cc2c1C 13108978 JMDGTOFDTCVVGV-UHFFFAOYSA-N 426.270 3.912 0 40 IHAB C[C@H]1CN(C(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)C[C@@H](C)O1 13112197 IQAHZRPQJKXQHT-GASCZTMLSA-N 443.960 3.711 0 40 IHAB COc1ccc(-c2ccc(N3CCN(C(=O)c4cccc(Cl)c4)CC3)nn2)cc1OC 13659450 JBSMQIPSFCFLDL-UHFFFAOYSA-N 438.915 3.777 0 40 IHAB CCn1c(SCC(=O)N[C@@H]2CCCC[C@@H]2C)nnc1[C@@H](C)NC(=O)c1cccc(C)c1 13880126 YOFUAKMQUDFWNX-YQVWRLOYSA-N 443.617 3.884 0 40 IHAB Cc1[nH]c(SCC(=O)Nc2ccc(CN3CCOCC3)cc2)nc1Cc1ccccc1 14044925 SZGVCNDXAPRURL-UHFFFAOYSA-N 436.581 3.872 0 40 IHAB COc1cccc([C@@]2(C)NC(=O)N(Cc3ccc(C(=O)Nc4ccccc4)cc3)C2=O)c1 14095592 YHAKUVUYQVOWLP-RUZDIDTESA-N 429.476 3.915 0 40 IHAB O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)Nc1cccc(C(=O)NC2CC2)c1 14128888 ZWSUKOMUNUJXBA-UHFFFAOYSA-N 444.516 3.656 0 40 IHAB CCN(Cc1ccccc1)C(=O)CSc1nc2c(cnn2-c2ccc(C)cc2)c(=O)[nH]1 14242704 ZSQOOALSTTXGGC-UHFFFAOYSA-N 433.537 3.558 0 40 IHAB COc1ccc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)cc1C(=O)N1CCC(C)CC1 14396399 SZHYOQLPGXZKOB-UHFFFAOYSA-N 446.613 3.814 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cc(C)ccc3C)o2)cc1 16047618 WXIJJXGQMQIMPS-UHFFFAOYSA-N 428.514 3.636 0 40 IHAB N[C@H](Cc1cc(Br)c(Oc2ccc(O)cc2)c(Br)c1)C(=O)O 16922794 CKVYEYDIBPHSSM-CYBMUJFWSA-N 431.080 3.664 0 40 IHAB O=C(COc1ccccc1)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(F)cc1 17190838 VBLSSZJTILXCBC-UHFFFAOYSA-N 440.496 3.985 0 40 IHAB Cc1ccc2cc([C@@H](c3nnnn3C(C)(C)C)N3CCc4ccccc4C3)c(=O)[nH]c2c1 19221890 KVGWKMTYQURVEH-QFIPXVFZSA-N 428.540 3.726 0 40 IHAB CNC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CCCN(C(=O)Cc2ccccc2)C1 19591135 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C[C@@H](Nc1ccc(NC(=O)NC2CC2)cc1)C(=O)N(C)CCOc1ccc(Cl)cc1 26991998 NRSLRHDRQPVHST-OAHLLOKOSA-N 430.936 3.962 0 40 IHAB COc1cc(C(=O)Nc2cnn(Cc3ccc(Br)cc3)c2)cc(OC)c1OC 27920883 BVHYWQCFRYHXDW-UHFFFAOYSA-N 446.301 3.972 0 40 IHAB CCOc1ccc(N[C@@H](C)C(=O)c2c(C)[nH]c3ccccc23)cc1S(=O)(=O)N(C)C 28853328 UBKDHCAXJDEZSM-HNNXBMFYSA-N 429.542 3.809 0 40 IHAB O=C(NCc1ccc(Cn2ccnc2)cc1)[C@H]1CCCC[C@H]1C(=O)N1CCc2ccccc21 30220230 CIMKWUNYIUPVJC-BJKOFHAPSA-N 442.563 3.943 0 40 IHAB Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)C1CCN(C(=O)C2CC2)CC1 32525104 XJEAQSWSJALCAW-UHFFFAOYSA-N 442.991 3.809 0 40 IHAB Cc1ccc(-c2c(C)sc3nc(CN4Cc5ccccc5C[C@H]4C(N)=O)[nH]c(=O)c23)cc1 35349087 ZRMQYWZWCJZINM-IBGZPJMESA-N 444.560 3.681 0 40 IHAB C[C@@H]1CCCN(c2ccccc2CNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 36615080 JNMLHKYJEZSCOJ-GOSISDBHSA-N 427.570 3.528 0 40 IHAB COCc1nn2c(C)c(C(=O)Nc3cccc(OC)c3)nnc2c1-c1ccc(OC)cc1 40372589 YGFSLVTXTWGMSL-UHFFFAOYSA-N 433.468 3.516 0 40 IHAB Cc1ccc(Nc2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccc(C)c(Cl)c2)CC(=O)N3)cc1 40400509 MGGYBIHEBHQEKA-OAHLLOKOSA-N 437.887 3.848 0 40 IHAB Cc1ccc(Cn2c(=O)c3ccccc3n(CC(=O)Nc3ccc(C)c(F)c3)c2=O)cc1 40478467 IBMOKLLNBVDUCT-UHFFFAOYSA-N 431.467 3.606 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)NC[C@H]4CCCO4)cc3c2)cc1 46058625 TZJMIXXLFLEYMJ-GOSISDBHSA-N 444.578 3.944 0 40 IHAB CC[C@@H]1CCCCN1C(=O)CSc1nnc(CN2CCCC2)n1Cc1ccccc1 57530250 UXERPRVYRCZTEM-HXUWFJFHSA-N 427.618 3.805 0 40 IHAB C[C@H](OC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1)C(=O)c1c[nH]c2ccccc12 58017447 QREZDNDUAFXPEP-HRAATJIYSA-N 440.521 3.526 0 40 IHAB COC(=O)c1c(NC(=O)c2ccccc2I)sc2c1CCC2 59472670 JBMXOTFEPMJFLL-UHFFFAOYSA-N 427.263 3.880 0 40 IHAB COc1ccc(OCCCC(=O)OCC[C@H]2CCCCN2C(=O)c2cccn2C)cc1 62639935 PFHAPRBKQDQOAU-LJQANCHMSA-N 428.529 3.821 0 40 IHAB Cc1nc(-c2ccc(Cl)cc2)n(CC(=O)Nc2ccccc2Cl)c(=O)c1CCO 67300482 WQIVSSIUONYFFL-UHFFFAOYSA-N 432.307 3.699 0 40 IHAB COc1ccc(-c2cc(N3CCN(C(=O)c4cc5cccc(OC)c5o4)CC3)ncn2)cc1 70637617 NZLRXJLIWSJAAA-UHFFFAOYSA-N 444.491 3.869 0 40 IHAB COc1ccc2nc(NC(=O)Cn3nc(-c4ccc(SC)cc4)ccc3=O)sc2c1 71279993 WSZRFJCNTWXAHF-UHFFFAOYSA-N 438.534 3.889 0 40 IHAB Cc1ccc(-c2ccccc2CC2(C(=O)NCCN3CCOCC3)CCOCC2)c(C)c1 72341854 JWKJEUPUHDCQCA-UHFFFAOYSA-N 436.596 3.758 0 40 IHAB C[C@H]1Cc2ccccc2N1C(=O)CN1CCC[C@H](n2c(=O)oc3ccc(Cl)cc32)C1 72347839 QWQLEKCDWXPXEY-YJBOKZPZSA-N 425.916 3.863 0 40 IHAB COc1cc(-n2cc(C(=O)NCc3ccccc3)c3ccccc3c2=O)cc(OC)c1OC 72400707 IOAIQWJIWHJYCR-UHFFFAOYSA-N 444.487 3.947 0 40 IHAB COc1ccc(COc2cccc(F)c2)cc1NC(=O)C(=O)Nc1cnn(C(C)C)c1 79023469 NWTVZOLUMRFMTF-UHFFFAOYSA-N 426.448 3.768 0 40 IHAB COc1cc([C@H](NC(=O)c2ccc3c(c2)OCCO3)C(F)(F)F)cc(OC)c1OC 95995567 WMFPRXUGJDCPQP-SFHVURJKSA-N 427.375 3.517 0 40 IHAB COc1cccc(S(=O)(=O)N2CCC3(CC2)CCn2c(-c4cccc(F)c4)cnc23)c1 96080116 LBMLODPUNUQVSG-UHFFFAOYSA-N 441.528 3.824 0 40 IHAB CCc1cc(O)n2nc([C@@H]3CCCCN3Cc3cc(OC)c(OC)c(OC)c3)cc2n1 100146569 ZCIGDBVZFDNLDE-SFHVURJKSA-N 426.517 3.750 0 40 IHAB Cc1ccc(C)c(C(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2)c1 100560989 GAEPJJNTDQBPND-BSWISCRUSA-N 429.472 3.655 0 40 IHAB CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)sc2ccccc21 100821214 IMJJCKJWVQWMFJ-DQRAZIAOSA-N 429.567 3.638 0 40 IHAB COc1ccc([C@H]2c3sc(=O)[nH]c3S[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]23)cc1 101942804 OHNHTPFJJGKPLR-SOLBZPMBSA-N 438.530 3.549 0 40 IHAB O=C(COC(=O)C1CCC(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)CC1)c1ccc(Cl)cc1 102080368 PWBWMZUUULZMEX-ROMQECONSA-N 443.927 3.656 0 40 IHAB CC(=O)c1cccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@H]6C[C@H]56)[C@@H]4C3=O)c2)c1 102081298 GZKUFCZDPHINBR-GNWGRXFHSA-N 426.472 3.699 0 40 IHAB CCOc1cc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccccc2)ccc1O 102752936 QBRWSSZSUDHTHM-XPWALMASSA-N 448.450 3.981 0 40 IHAB CCOC(=O)c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4C)[C@@H](c4ccco4)[C@H]3C2=O)cc1 102912274 KRTFUMFAYMRUBY-BHIFYINESA-N 446.459 3.816 0 40 IHAB O=C(CSC(=S)N1CCN(c2ccccc2)CC1)Nc1ccc(C(F)(F)F)cn1 215704757 VIHJQGXESCKONW-UHFFFAOYSA-N 440.516 3.879 0 40 IHAB Cc1c(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cccc1N(C)S(C)(=O)=O 222840087 QJHGFQKIINLNRX-UHFFFAOYSA-N 436.946 3.815 0 40 IHAB CCc1ccc(CC)c(CNC(=O)[C@H](CC)N(c2ccc(OC)cc2)S(C)(=O)=O)c1 222941590 SWAKXSYLGOERGV-QFIPXVFZSA-N 432.586 3.681 0 40 IHAB CN(C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(Br)cs1 223211875 WELISPTVCSGYQY-JKSUJKDBSA-N 425.421 3.830 0 40 IHAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(OC)cc1 223630419 FYDYVCGTLLZSOD-QFIPXVFZSA-N 442.556 3.805 0 40 IHAB COc1ccc(OC)c([C@@H](C)NC(=O)CCCN(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 224584106 CSFDBZPKAPXZSY-GOSISDBHSA-N 448.585 3.744 0 40 IHAB CCOC(=O)CN(c1ccc(OC2CCCC2)cc1)S(=O)(=O)c1ccc(OC)cc1 224872996 MKBDTHGSMBADKQ-UHFFFAOYSA-N 433.526 3.775 0 40 IHAB CCCSc1nnc(NC(=O)CCCN(c2cccc(C)c2C)S(C)(=O)=O)s1 224971217 GINGXEGCTAKGMV-UHFFFAOYSA-N 442.632 3.842 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)N[C@@H](C)c1ccccc1C 225382496 MGAZYCWJRKNCOY-SFHVURJKSA-N 430.570 3.598 0 40 IHAB Cc1cc(CN2CC[C@H]3O[C@H]4c5cccc(O)c5OC(C)(C)[C@@H]4C[C@@H]32)cc(C(=O)O)c1O 257212243 CCMNHASYUANSKR-MXKPZRPRSA-N 439.508 3.996 0 40 IHAB O=C(c1ccc(-n2cccn2)nc1)N1CCC[C@@H](c2cncc(Oc3ccccc3)n2)C1 257283152 OWXJPSJATWTMQW-LJQANCHMSA-N 426.480 3.869 0 40 IHAB CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(Cl)cc2OC)cc1NC(C)=O 408598300 YWWXZUCOYSQJPC-UHFFFAOYSA-N 428.894 3.515 0 40 IHAB COc1cc2c(cc1OC)CCN(S(=O)(=O)N(CCC(C)C)CCC(C)C)CC2 511774346 DMHMGZLSETXASH-UHFFFAOYSA-N 426.623 3.743 0 40 IHAB CC(=O)NCc1ccc(C(=O)Nc2cccc(NS(=O)(=O)Cc3ccccc3)c2)cc1 553989192 GAVPXOBXLHNQAH-UHFFFAOYSA-N 437.521 3.517 0 40 IHAB Cc1cc(S(=O)(=O)NC[C@](O)(c2ccccc2)C2CCOCC2)c(Cl)cc1Cl 575613587 UIDDATWZJFAKHA-FQEVSTJZSA-N 444.380 3.895 0 40 IHAB CC(=O)N1CCC(CC(=O)Nc2cccc3ncccc23)(N2Cc3ccccc3C2=O)CC1 1548348949 WIGZPHWPRKJXIA-UHFFFAOYSA-N 442.519 3.601 0 40 IHAB Cc1cccc(C(=O)N2CCC3(CC2)[C@H](C(=O)N(C)C)c2ccccc2C(=O)N3C(C)C)c1 1549167960 SASNLFGLXKNSMJ-QHCPKHFHSA-N 447.579 3.706 0 40 IHAB Cn1c(=O)n(CC(=O)N2CCCC[C@H]2c2ncc(Cc3ccccc3)o2)c2ccccc21 1848353301 DWJSKVWPHQFQLQ-QFIPXVFZSA-N 430.508 3.673 0 40 IHAB CCc1c(C)nc2cc(-c3ccc(OC)c(OC)c3)nn2c1N1CCC2(CC1)OCCO2 1341103 FHPZXCWJKAPNDW-UHFFFAOYSA-N 438.528 3.628 0 40 IHAB COc1ccc(-c2csc(NC(=O)c3ccc(=O)n(Cc4ccccc4)n3)n2)cc1OC 2656700 XHJLNYDUWPUAAZ-UHFFFAOYSA-N 448.504 3.685 0 40 IHAB CCOC(=O)c1sc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C 3231044 AYNRYWRRMQZGMK-UHFFFAOYSA-N 436.555 3.660 0 40 IHAB C[C@]1(c2ccccc2Br)NC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O 3594536 YKEKTYIXLJBVOI-GOSISDBHSA-N 436.693 3.508 0 40 IHAB Cc1cc2cc([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CCCCC3)c(=O)[nH]c2cc1C 6321136 LTFVGZLXJPISAK-QHCPKHFHSA-N 446.530 3.894 0 40 IHAB O=C(Nc1ccc(F)c(F)c1)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 8735293 YRJHWKPUGVLHMK-UHFFFAOYSA-N 428.460 3.964 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COc1ccc(F)c(Cl)c1 9127579 JWGPJPWBUQKBRD-UHFFFAOYSA-N 440.924 3.980 0 40 IHAB C[C@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3)C(=O)NC[C@@H](O)c1ccccc1 9187494 IHGASBHTRQLXPJ-ORAYPTAESA-N 427.884 3.552 0 40 IHAB COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN(C)C)[C@H]3c1ccc(Cl)cc1 9253074 JSVWKJXNDSPDLE-FQEVSTJZSA-N 426.900 3.952 0 40 IHAB O=C(COc1ccc2ccccc2c1)Nc1c2c(nn1-c1ccc(F)cc1)C[S@](=O)C2 9413270 QGEPALZSCJEKQX-HKBQPEDESA-N 435.480 3.944 0 40 IHAB O=C(CSc1ccc2nnc(-c3cccc(F)c3)n2n1)NCc1ccccc1Cl 9415060 NZCOPXKBWANJSG-UHFFFAOYSA-N 427.892 3.992 0 40 IHAB COCCn1c(C)cc(C(=O)COC(=O)Cn2c(C(F)(F)F)nc3ccccc32)c1C 9662433 MQWDZOVZKLAHMK-UHFFFAOYSA-N 437.418 3.546 0 40 IHAB CC(=O)Nc1ccc(Nc2nc(Nc3ccc(C)c(C)c3)nc(N3CCOCC3)n2)cc1 9708858 LFZDPQUGYVLIOW-UHFFFAOYSA-N 433.516 3.771 0 40 IHAB CCN(C(=O)CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O)C1=CCCCC1 9737242 JZFHQHBFAKHVSN-SANMLTNESA-N 431.536 3.983 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2CNC(=O)c2ccc(C(F)(F)F)cc2)c1 9807241 QVKPBYVBSQXAEU-SFHVURJKSA-N 440.487 3.905 0 40 IHAB Cn1ccnc1SCC(=O)Nc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1 9873737 LFFIUINQGWYFDN-UHFFFAOYSA-N 433.537 3.605 0 40 IHAB CC(C)NC(=O)CSc1nnc(CN2CCCCC2)n1-c1ccccc1C(F)(F)F 9946372 YEZVYHUWINKGDX-UHFFFAOYSA-N 441.523 3.889 0 40 IHAB COc1ccc(OC)c(-c2csc(NC(=O)COC(=O)[C@@]3(C)CC3(Cl)Cl)n2)c1 10863609 BBRCOGZTSSSDMU-QGZVFWFLSA-N 445.324 3.893 0 40 IHAB COc1cc(C(=O)N(C)Cc2ccccc2N2CCOCC2)cc(OC)c1Br 10901386 MHALTRYVEFQYQY-UHFFFAOYSA-N 449.345 3.575 0 40 IHAB O=C(Cc1cccs1)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 12541775 PNKZUICRUDJGSJ-UHFFFAOYSA-N 444.534 3.891 0 40 IHAB CSc1ccc(CN(C)C(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)cc1 12733569 KSPSEVICIUJMTE-UHFFFAOYSA-N 447.626 3.925 0 40 IHAB CN(Cc1ccccc1F)C(=O)CSc1nnc(COc2ccccc2Cl)n1C 12802368 NPCVMPAPYYDZFB-UHFFFAOYSA-N 434.924 3.937 0 40 IHAB Cc1ccc(OCc2nc(CC(=O)Nc3cc(S(C)(=O)=O)ccc3C)cs2)cc1 12852669 HEIDTWHIPPUBDW-UHFFFAOYSA-N 430.551 3.924 0 40 IHAB COc1ccc(CNC(=O)[C@@H](c2sccc2C)N(C(=O)c2csnn2)C2CC2)cc1 12873234 XWCOTTRJTBWWMV-GOSISDBHSA-N 442.566 3.579 0 40 IHAB COc1ccc(-c2cc(=O)oc3c(C)c(O[C@H](C)C(=O)NCCCN(C)C)ccc23)cc1 12886221 WOTSMTODWCSEFI-QGZVFWFLSA-N 438.524 3.612 0 40 IHAB biogenic COc1cccc([C@H](CNC(=O)CCc2nc(-c3ccc(C)cc3)no2)N2CCCC2)c1 12911999 RHGJHZJSIFVCMF-QFIPXVFZSA-N 434.540 3.940 0 40 IHAB C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(Cl)cc1 12935165 QZLRHCBWXFMNOZ-ZDUSSCGKSA-N 443.352 3.505 0 40 IHAB CSCC[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)OCC(=O)NC1CCCCC1 13130038 MFKPIBQKIJCOAJ-HXUWFJFHSA-N 448.629 3.828 0 40 IHAB O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1cc2ccccc2oc1=O 13149515 MFNFRXZQIQFPKU-UHFFFAOYSA-N 446.912 3.873 0 40 IHAB Cc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)NC3CCN(Cc4ccccc4)CC3)ccc12 13557491 WEQOPNJBCITECF-IBGZPJMESA-N 434.536 3.958 0 40 IHAB COc1ccc(C(F)(F)F)cc1NC(=O)CSc1ccc(NC(=O)C(C)C)nn1 13702157 YELPOANSXBAMRC-UHFFFAOYSA-N 428.436 3.829 0 40 IHAB CC(C)c1ccc(CN2CCN(C(=O)CSc3nnc(-c4ccco4)n3C)CC2)cc1 14252160 LZOKNNQSWDCBMP-UHFFFAOYSA-N 439.585 3.635 0 40 IHAB Cc1cc(C)c(NC(=O)CSc2nc(=O)n(Cc3ccccn3)c3c2CCC3)c(C)c1 15882758 YLLFFPJTMBMVIJ-UHFFFAOYSA-N 434.565 3.831 0 40 IHAB COc1ccc(OC)c([C@H](C)NC(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1 16344176 WJGNMVSIQBRJAI-LAUBAEHRSA-N 440.540 3.879 0 40 IHAB COc1ccc(Cn2cnc3c4cc(C)ccc4n(CC(=O)NCCC(C)C)c3c2=O)cc1 16842137 NQOUYRMYRCSYNH-UHFFFAOYSA-N 446.551 3.879 0 40 IHAB CN(Cc1ccccc1)C(=O)CSc1nc2ccccc2c(=O)n1Cc1cccnc1 17743177 XCZGNLGOHFFIQH-UHFFFAOYSA-N 430.533 3.591 0 40 IHAB COc1ccccc1CNc1n[nH]c2nc([C@H]3CCN(C(=O)c4scnc4C)C3)ccc12 19705111 UKLWFTTTYJKRGW-INIZCTEOSA-N 448.552 3.973 0 40 IHAB CC(C)CNC(=O)c1cc([C@H]2CN(C(=O)Cc3ccccc3)CCO2)nc2ccccc12 19758991 KVKLFHSQRDDDGX-XMMPIXPASA-N 431.536 3.763 0 40 IHAB COC(=O)c1cc2cc(NC(=O)CCc3ccc(S(=O)(=O)N(C)C)cc3)ccc2s1 20024433 OHUNWRANEPTEDE-UHFFFAOYSA-N 446.550 3.510 0 40 IHAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 20493721 CMPJVNNDDIHVJZ-AWEZNQCLSA-N 431.901 3.942 0 40 IHAB Cn1ncc(C(=O)O)c1C(=O)Nc1cccc(-c2ccnc3cc(-c4ccccc4)nn23)c1 20616727 HUWIOGCDTPLYOA-UHFFFAOYSA-N 438.447 3.747 0 40 IHAB C[C@@H](OC(=O)CCc1nc2ccccc2s1)C(=O)N1CCN(Cc2ccccc2)CC1 22287051 ARNOOCLHKXLISU-GOSISDBHSA-N 437.565 3.505 0 40 IHAB COc1cccc(CCCNC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)c1 22341640 QASQWACWQKCJRX-UHFFFAOYSA-N 445.368 3.517 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C)c2)c2ccccc2)cc1C 22395929 OMSFWUOZMRLUKV-UHFFFAOYSA-N 438.549 3.824 0 40 IHAB CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Nc1ccc(NC(=O)CN2CCOCC2)cc1 22421287 SBKNQBVGMFPASY-RTBURBONSA-N 438.572 3.910 0 40 IHAB O=C(NC1CC1)c1ccc(CN(C2CC2)S(=O)(=O)c2ccc(Br)cc2)cc1 23025843 VYGMUFOZZQOMLG-UHFFFAOYSA-N 449.370 3.695 0 40 IHAB Cc1ccc(NC(=O)COc2ccc(F)cc2F)cc1S(=O)(=O)N1CCCCCC1 23114167 BVRRLYNKSUVASQ-UHFFFAOYSA-N 438.496 3.855 0 40 IHAB O=C(Nc1ccccc1C(=O)N1CCN(Cc2ccncc2)CC1)c1ccc(Cl)cc1 23882442 DJWQVQPTZALYOV-UHFFFAOYSA-N 434.927 3.945 0 40 IHAB Cc1nc(-c2ccccc2)sc1C(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O 23948343 WLGMREMXIXQFAD-HSZRJFAPSA-N 434.521 3.707 0 40 IHAB CCOC(=O)Cc1csc(NC(=O)c2cnn(-c3ccc(Br)cc3)c2C)n1 25806171 UBKOLLUYJFHAEI-UHFFFAOYSA-N 449.330 3.758 0 40 IHAB C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccc(-n2cncn2)cc1 26065679 ARDYAPOHVHDSDP-LAUBAEHRSA-N 435.528 3.581 0 40 IHAB CSc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1C(=O)N1CCOCC1 26117310 XNSHQMBCYTXBHI-UHFFFAOYSA-N 440.974 3.644 0 40 IHAB CCOc1ccccc1N1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(SC)c3)C2)CC1 27063089 CNJYFLXIOPWNOH-SFHVURJKSA-N 439.581 3.509 0 40 IHAB O=C(CSc1nc(-c2ccccc2Br)n[nH]1)N[C@H]1CCOc2ccccc21 27317155 KXKYLUBSADHALF-HNNXBMFYSA-N 445.342 3.966 0 40 IHAB CCc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3c(C)nn(C)c3C)ccc2OC)cc1 29954867 RUBFYXHIYFMZMU-UHFFFAOYSA-N 442.541 3.661 0 40 IHAB CC(C)n1c(SCC(=O)N[C@H](c2ccccc2)c2nccn2C)nc2ccccc2c1=O 32871716 GNYGGMHCPIXOQW-OAQYLSRUSA-N 447.564 3.709 0 40 IHAB O=C(C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)N[C@@H]1CCN(Cc2ccccc2)C1 32903050 OVGXDICKOMWASK-APWZRJJASA-N 449.498 3.899 0 40 IHAB Cc1ccc(NC(=O)Nc2ccc3c(c2)OCO3)cc1OCc1cc(=O)n2ccccc2n1 33067817 VYGMKXRWHOJOQW-UHFFFAOYSA-N 444.447 3.955 0 40 IHAB Cc1ccc(F)cc1NC(=O)CSc1nccnc1N1CCN(c2ccccc2)CC1 33170149 KBHQEECFFYWMGQ-UHFFFAOYSA-N 437.544 3.982 0 40 IHAB COc1ccccc1NC(=O)N1CCC(CNS(=O)(=O)c2ccc(Cl)s2)CC1 43962050 RYFAXFMXOMDYQD-UHFFFAOYSA-N 443.978 3.633 0 40 IHAB CC(C)c1noc(CCCC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)n1 48285549 HVRHNNIRGJCMQO-UHFFFAOYSA-N 434.562 3.719 0 40 IHAB CCOc1cc(/C=C/C(=O)N2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)cc(Cl)c1OC 48345020 HCNXHAAQEFNLEU-LATQFLISSA-N 436.980 3.861 0 40 IHAB Cc1ccc2c(c1)C(=O)NC1(CCN(C(=O)c3ccc(Br)cc3)CC1)N2C 49410021 MSUDQVDRPLJZOZ-UHFFFAOYSA-N 428.330 3.570 0 40 IHAB CC(=O)N1c2ccc(S(=O)(=O)N(CCc3ccccc3)Cc3ccncc3)cc2C[C@H]1C 58218364 BGAFWIIEVBXAND-LJQANCHMSA-N 449.576 3.813 0 40 IHAB O=C(CCNC(=O)OCC(F)(F)F)Nc1ccc(N2CCSCC2)c(Cl)c1 60307347 PHKJXZFULSNELE-UHFFFAOYSA-N 425.860 3.510 0 40 IHAB COc1ccc(-c2nc(C)cc(SCC(=O)NCc3cccc(OC)c3OC)n2)cc1 67257683 ILZXYTIKTIBPOG-UHFFFAOYSA-N 439.537 3.886 0 40 IHAB CC(C)OC(=O)c1ccc(NC(=O)Cn2nc(-c3ccc(Cl)cc3)ccc2=O)cc1 71279086 RVZYWPIJQHGRHH-UHFFFAOYSA-N 425.872 3.768 0 40 IHAB O=C(NCc1ccccc1Cl)c1ccc([C@@H]2Nc3ccccc3S(=O)(=O)N2)cc1 71328575 QDAAWCUOUSKEJH-HXUWFJFHSA-N 427.913 3.673 0 40 IHAB CCCS(=O)(=O)N1N=C(c2ccccc2NS(=O)(=O)CC)C[C@H]1c1ccc(C)cc1 72314463 ZSEKQBWQKWEABE-NRFANRHFSA-N 449.598 3.648 0 40 IHAB Cn1ncc(Cl)c1C(=O)N1CCC2(CC1)C[C@@]1(CO2)Nc2ccccc2-n2cccc21 72327285 HORCJUNQNUWADO-QHCPKHFHSA-N 437.931 3.580 0 40 IHAB COCCNC(=O)c1sc2ccccc2c1[C@@H]1CCN(C(=O)c2ccnn2C(C)C)C1 72352501 BUTQVHPSHIMYJL-MRXNPFEDSA-N 440.569 3.685 0 40 IHAB COc1ccc(NC(=O)c2c[nH]c3ccc(I)cc3c2=O)cc1C 89591179 VJBMKRAJOMFCMV-UHFFFAOYSA-N 434.233 3.702 0 40 IHAB O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)N(C[C@@H]1CCCO1)C[C@H]1CCCO1 89781039 PHTGNKBIXLQHLA-SZPZYZBQSA-N 429.561 3.895 0 40 IHAB C[C@@]1(COC(=O)C2CCN(C(=O)N3CCCC3)CC2)CCCCN1Cc1ccccc1 95469303 BEGDECRVIJSMPU-VWLOTQADSA-N 427.589 3.902 0 40 IHAB Cn1c(CN2CCc3ccccc3C2)cc(=O)c(O)c1CN1CC[C@@H](c2ccccc2)C1 95480851 TZPMLPPBCSENDJ-HSZRJFAPSA-N 429.564 3.639 0 40 IHAB Cc1csc(NC(=O)[C@H]2CC[C@H](CNS(=O)(=O)c3ccc(Cl)cc3)CC2)n1 101506095 BTYPBXFJPWPCCE-OKILXGFUSA-N 427.979 3.828 0 40 IHAB COc1ccc(-c2noc(CN(C)C(=O)CSCc3ccccc3F)n2)c(OC)c1 222713622 JCDSIRKVXDDTMZ-UHFFFAOYSA-N 431.489 3.785 0 40 IHAB Cc1cc(C)cc(OCCNC(=O)[C@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)c1 224076921 NAQXUZAWCRJMHT-KRWDZBQOSA-N 438.977 3.615 0 40 IHAB CC[C@H](C(=O)NCCOc1ccc(C)c(Cl)c1)N(c1ccc(F)cc1)S(C)(=O)=O 224157794 DTOGMUMLUUNEDP-LJQANCHMSA-N 442.940 3.527 0 40 IHAB CC[C@@H](C(=O)Nc1nnc(SC(C)C)s1)N(c1cc(C)ccc1C)S(C)(=O)=O 225594869 SDJOYZRNTDUCBR-AWEZNQCLSA-N 442.632 3.839 0 40 IHAB COc1ccc(CN(C(=O)COc2ccc(Cl)c(C)c2)[C@H](C)C(=O)NC(C)C)cc1 225677407 QRUQWQGGWDQLJL-QGZVFWFLSA-N 432.948 3.978 0 40 IHAB Cc1cc(C)c2c(=O)ccn(CC(=O)Nc3ccc(I)cc3)c2c1 225755017 KAFBZJKLGFSUCH-UHFFFAOYSA-N 432.261 3.862 0 40 IHAB COc1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c(O)c1 226854416 QNNSINGLLJSINC-JOCHJYFZSA-N 433.460 3.935 0 40 IHAB COc1cccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(=O)CCO)c1OC(F)F 257262716 LMOAMEGHCLHGFZ-KACCFSCSSA-N 439.499 3.678 0 40 IHAB O=C(C(c1ccccc1)c1ccccc1)N1CC[C@]2(C1)CN(c1ccc(F)cc1)C(=O)CO2 257282975 OWCLECRQHBINGW-MHZLTWQESA-N 444.506 3.992 0 40 IHAB COc1ccc(F)cc1-c1ccc2nc([C@@H]3CCCN(C(=O)c4ccncc4)C3)nn2c1 306137554 QZSXBSXTAZISCK-GOSISDBHSA-N 431.471 3.959 0 40 IHAB Cc1ccc(CNC(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc2Cl)cc1 408585001 XMNWNEBOOXUSER-UHFFFAOYSA-N 436.961 3.565 0 40 IHAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)cc1C 408617358 CQVXXVRFYFUJIL-IBGZPJMESA-N 444.597 3.542 0 40 IHAB CCOc1ccc2ccccc2c1/C=C1\SC(=O)N(CC(=O)NC[C@@H]2CCCO2)C1=O 409216004 HESVERQXNLXZQE-DEFALTHMSA-N 440.521 3.570 0 40 IHAB CCC[C@@H](C)NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 409324173 RKUQGDHUDKLDSA-QGZVFWFLSA-N 434.558 3.512 0 40 IHAB O=C1CCC[C@]2(CN(C(=O)c3ccccc3CN3CCCC3)C[C@H]2c2ccc(F)cc2)N1 585261675 AMCSCTWVXJSRER-JYFHCDHNSA-N 435.543 3.700 0 40 IHAB OC1(COc2ccc(F)cc2)CCN(Cc2cccc(OCCN3CCCC3)c2)CC1 585280440 NOXDWXVFYUKQLN-UHFFFAOYSA-N 428.548 3.706 0 40 IHAB Cc1cnc(Nc2nccnc2C2CCN(C(=O)/C=C/c3csc(C)n3)CC2)s1 585290963 HSUJFAVOJWNNCY-ONEGZZNKSA-N 426.571 4.169 0 40 IHAB COc1ccc(OC)c(-c2cc(C(=O)NCC3(c4ccsc4)CCOCC3)n(C)n2)c1 952989394 DNMLDCHYTYHCSU-UHFFFAOYSA-N 441.553 3.644 0 40 IHAB Cn1c(SCC(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)nnc1-c1ccncc1 1338795 HFKFABXSZMWKHM-UHFFFAOYSA-N 444.520 3.860 0 40 IHAB C/C(NCc1ccccc1Br)=C1/C(=O)NC(=O)N(c2ccc(C)cc2C)C1=O 1407450 SBNJUILDARDAIS-NBVRZTHBSA-N 442.313 3.713 0 40 IHAB O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)NC(=O)Cc1ccccc1 2623388 ZDKDRDHLBGGBFG-UHFFFAOYSA-N 432.505 3.564 0 40 IHAB O=C(CCCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)N1CC=C(c2ccccc2)CC1 2975222 KCGOMWQWUAJJLG-UHFFFAOYSA-N 449.532 3.884 0 40 IHAB COc1ccc(C(=O)OCC(=O)NC(c2ccccc2)c2ccccc2)c(OC)c1OC 3219446 XWRDKGZVSJUGHZ-UHFFFAOYSA-N 435.476 3.775 0 40 IHAB COc1cccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@H](O)C(=O)O)c1 8700642 PCSLZQDFFWPZQG-GOTSBHOMSA-N 433.460 3.721 0 40 IHAB O=C(CCS(=O)(=O)c1ccccc1)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 8825056 ZOMVFYYVMDUTPS-QFIPXVFZSA-N 433.533 3.827 0 40 IHAB COc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(Br)cc2)cc1 8843863 DFFRAXAKLOZDMK-QGZVFWFLSA-N 432.343 3.889 0 40 IHAB Cc1c(CCC(=O)NC2CCN(Cc3ccccc3)CC2)c(=O)oc2c(C)c(O)ccc12 8995666 BKJOLMLJCVQTSB-UHFFFAOYSA-N 434.536 3.829 0 40 IHAB COc1cc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2cc(C)ccc2C)cc(OC)c1OC 9012646 CPGPITOWQUKMRU-HXUWFJFHSA-N 441.553 3.761 0 40 IHAB COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)N(C)Cc1ccc(C)o1 9396852 JFOVBDVKYSKRIK-UHFFFAOYSA-N 440.521 3.620 0 40 IHAB CCOc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCOC)cc1OCC 9409039 ZPGOUKFILNPQQE-HSZRJFAPSA-N 437.496 3.771 0 40 IHAB CNC(=O)NC(=O)[C@@H](Sc1nnc(Cc2cccs2)n1C1CC1)c1ccccc1 9478556 NSTCUGIFKPNOOB-KRWDZBQOSA-N 427.555 3.554 0 40 IHAB CCCCc1ccc(-n2nnnc2SCC(=O)Nc2nnc(-c3ccccc3)o2)cc1 9644561 ODYKHNHHIUXOBV-UHFFFAOYSA-N 435.513 3.786 0 40 IHAB COc1ccc(-c2csc(NC(=O)COC(=O)c3cc(OC)cc(OC)c3)n2)cc1 9703176 YVRJJDMZLYTSAG-UHFFFAOYSA-N 428.466 3.631 0 40 IHAB CC(C)OCCCNC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1 10119439 JOVNJQZCBPGYDZ-UHFFFAOYSA-N 436.961 3.636 0 40 IHAB COc1ccccc1N(CC(=O)N1c2ccccc2C[C@H]1C)S(=O)(=O)c1ccccc1 10449714 YITYPUBRMRVTLX-GOSISDBHSA-N 436.533 3.868 0 40 IHAB CCOc1ncccc1C(=O)OCC(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 11480251 MNJYXTFTFRNSOD-KRWDZBQOSA-N 447.491 3.767 0 40 IHAB Cc1sc2ncn(CC3(O)CCN(Cc4ccc(Cl)c(F)c4)CC3)c(=O)c2c1C 12188595 HJDWITOZFYEKRY-UHFFFAOYSA-N 435.952 3.894 0 40 IHAB CCOc1ccc(O[C@@H](C)C(=O)N2CCC(c3nc(O)cc(-c4ccccn4)n3)CC2)cc1 12256487 CUBBFCPYKSBKDW-KRWDZBQOSA-N 448.523 3.816 0 40 IHAB CCCn1c(=O)c2ccccc2n2c(SC[C@H](O)COc3c(C)cccc3C)nnc12 12558420 GYURSYDODALZCR-QGZVFWFLSA-N 438.553 3.603 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1NC(C)=O 12994230 FXXVNUGVQNSHDR-KRWDZBQOSA-N 431.539 3.789 0 40 IHAB CCCCN(C(=O)Cc1c(Cl)cccc1Cl)c1c(N)n(CCCC)c(=O)[nH]c1=O 13097170 AIHOQAUWHBOVCD-UHFFFAOYSA-N 441.359 3.602 0 40 IHAB COc1ccc([C@@H](c2nnnn2C2CCCC2)N2CCN(c3ccccc3)CC2)cc1OC 13503927 RAGRJIKFXUYWOD-DEOSSOPVSA-N 448.571 3.717 0 40 IHAB CCN(CC(=O)Nc1cccc(Cl)c1Cl)S(=O)(=O)c1cc(F)ccc1OC 13581192 UBNJPXBYJQRUED-UHFFFAOYSA-N 435.304 3.790 0 40 IHAB CCOc1ccccc1CCCNC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 13670762 UHTXNCSZCDWWRW-UHFFFAOYSA-N 436.549 3.520 0 40 IHAB COCCCN(Cc1cc(=O)[nH]c2ccccc12)C(=S)Nc1ccccc1C(=O)OC 13726669 PJEDIAOXTWANSY-UHFFFAOYSA-N 439.537 3.550 0 40 IHAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)OCc2cc(=O)oc3cc4c(cc23)CCC4)C1 16329795 SMWTZYCEQJNHRK-KRWDZBQOSA-N 427.497 3.972 0 40 IHAB Nc1c(C(=O)C2CCN(Cc3ccncc3)CC2)cnn1-c1ccc(OC(F)(F)F)cc1 19337118 IFIBUAMRZOEISD-UHFFFAOYSA-N 445.445 3.843 0 40 IHAB CC1CCC(N2CC[C@@H](c3nc(O)c4c(n3)CN(C(=O)c3ccccc3F)CC4)C2)CC1 19495946 AIKUDKXELYJWED-LXPRWKDFSA-N 438.547 3.888 0 40 IHAB CCc1nnsc1C(=O)N1CCN(CC)C(=O)[C@@H](Cc2cccc(-c3ccccc3)c2)C1 19521870 HNKPKWOJUZBPSF-NRFANRHFSA-N 448.592 3.931 0 40 IHAB COc1ccccc1CC(=O)N1CC[C@@](Cc2ccc(-c3cccs3)cc2)(C(N)=O)C1 19569419 TZGYSNXOFRGDEN-VWLOTQADSA-N 434.561 3.913 0 40 IHAB CC(=O)Nc1ccc(Oc2cc(C)nc([C@@H]3CCCN(C(=O)c4cn(C)cn4)C3)c2)cc1 19570337 IRSYDHHRWUJQHB-GOSISDBHSA-N 433.512 3.894 0 40 IHAB O=C(NCCc1nc(-c2ccccc2)ncc1C(=O)Nc1ccccc1F)c1ccccn1 19697220 MXGRAKMTVGJSAE-UHFFFAOYSA-N 441.466 3.903 0 40 IHAB CCN(CC(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(OC)c(C)c1 19929713 VKSBPQLEPRXDMN-UHFFFAOYSA-N 431.341 3.960 0 40 IHAB Cc1cccc(C)c1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 20007747 CSYJVZUFIBLCOY-OAQYLSRUSA-N 426.513 3.971 0 40 IHAB CCOc1cccc(CNC(=O)[C@@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c1 20047363 BTMZPNHCIZLMAY-CYBMUJFWSA-N 445.368 3.863 0 40 IHAB Cc1nc2sc3c(NCCCN4CCOCC4)ncnc3c2c2c1COC(C)(C)C2 20442700 BVYRELBHAODQHB-UHFFFAOYSA-N 427.574 3.533 0 40 IHAB COc1ccc(CCCNC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1 22374134 KBBISFQEXGUJQN-UHFFFAOYSA-N 432.586 3.508 0 40 IHAB CCCOc1ccc(N(CC(=O)Nc2ccc(C(F)(F)F)cc2)S(C)(=O)=O)cc1 22393161 KIDYZDQGFDTEBB-UHFFFAOYSA-N 430.448 3.899 0 40 IHAB Cc1ccccc1C(=O)N[C@H](C(=O)Nc1cc2c(cc1Br)OCCO2)C(C)C 25922238 MUVQHDZPKWRJIX-IBGZPJMESA-N 447.329 3.922 0 40 IHAB O=S(=O)(Cc1ccccc1)N1CCN(Cc2ncc(-c3ccc(Cl)cc3)o2)CC1 31595044 VNHSSMUMDCBOGH-UHFFFAOYSA-N 431.945 3.643 0 40 IHAB CC(C)Cc1csc2c1c1nc(Cc3ccccc3)nn1c(=O)n2CC(=O)N1CCCC1 32093610 PANJHXPGSCKUAX-UHFFFAOYSA-N 449.580 3.517 0 40 IHAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)C2CCN(C(=O)c3cccs3)CC2)c1 32741076 SFWVWAHAANNIMA-IBGZPJMESA-N 428.554 3.981 0 40 IHAB O=S(=O)(c1ccc(Cl)cc1)N(Cc1ccccc1)Cc1nnnn1-c1ccccc1 32741635 OLIZWUGABVDBDE-UHFFFAOYSA-N 439.928 3.707 0 40 IHAB Cc1ccc(-n2ncc3c(=O)n(Cc4nc(-c5ccc(OC(C)C)cc5)no4)cnc32)cc1 33293061 YUEKJDHCFHSMHN-UHFFFAOYSA-N 442.479 3.776 0 40 IHAB CC(C)c1ccc(/C=C2\SC(=O)N(CC(=O)N[C@H](CO)Cc3ccccc3)C2=O)cc1 33544931 RENCNMIZHPLBPE-GAASDFDMSA-N 438.549 3.566 0 40 IHAB CN(c1cccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)c1)S(C)(=O)=O 38856547 HYLXMSIEWGKOGN-QGZVFWFLSA-N 435.977 3.587 0 40 IHAB Cc1nc2nc3ccn(Cc4cccc5c4OCO5)c(=O)c3c(-c3ccccc3Cl)n2n1 40398404 FFIOJWJTSVDDNA-UHFFFAOYSA-N 445.866 3.845 0 40 IHAB C[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(S(C)(=O)=O)cc1 44857126 VYZXFNDLNORRMD-MRXNPFEDSA-N 434.989 3.833 0 40 IHAB COc1ccc([C@@H](C)NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCCC3)c2)cc1 44900091 HTGMSZXSXLJZRX-QGZVFWFLSA-N 446.569 3.760 0 40 IHAB Cc1cc(C(=O)COC(=O)c2n[nH]c(=O)c3ccccc23)c(C)n1-c1ccc2c(c1)CCC2 46586074 WTJDVPZDICRSRH-UHFFFAOYSA-N 441.487 3.859 0 40 IHAB CCCCNC(=O)C1CCN(c2nc3c(-c4ccccc4F)csc3c(=O)[nH]2)CC1 49421064 UWTQYTMYYWPDLE-UHFFFAOYSA-N 428.533 3.923 0 40 IHAB O=C(Cn1c(=O)n(-c2cccc(Cl)c2)c(=O)c2sccc21)Nc1cc(F)ccc1F 57491543 ZXJVKTZZYTVOJC-UHFFFAOYSA-N 447.850 3.784 0 40 IHAB CCC[C@H](NC(=O)[C@@H](C)Sc1nnc(N2CCOCC2)n1CC(C)C)c1ccccc1 57865009 AZCSFXJLWBGOFZ-QUCCMNQESA-N 445.633 3.909 0 40 IHAB CCNC(=O)c1cccc(C)c1OC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 58263945 LZYDVGMVLYEIHX-UHFFFAOYSA-N 427.478 3.531 0 40 IHAB COCCOc1cccc(CN2CCC[C@@H]2c2nc(N(C)C)ncc2-c2cc(C)no2)c1 72341493 DPYQTTUXJJJLTE-OAQYLSRUSA-N 437.544 3.868 0 40 IHAB COCC(=O)N1CCC(Cc2ccccc2-c2cccc(F)c2)(C(=O)NC(C)C)CC1 72345119 GGBUJOQRXGWBLP-UHFFFAOYSA-N 426.532 3.815 0 40 IHAB CCOC(=O)[C@@]1(Cc2cc(-c3ccc(F)cc3)no2)CCCN(Cc2cnc(C)n2C)C1 72394039 PDGBSDYTOWEOHU-XMMPIXPASA-N 440.519 3.911 0 40 IHAB COC(=O)c1ccc2c(=O)[nH]c(CN(Cc3ccc(N4CCC[C@H]4C)nc3)C(C)C)nc2c1 89929875 NHQULQBHGBGQLV-QGZVFWFLSA-N 449.555 3.504 0 40 IHAB CCCc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1 89960461 FTPWYEXXUWNFKU-UHFFFAOYSA-N 436.599 3.923 0 40 IHAB O=C(O)C[C@H](CC(=O)NCC1CCN(C(=O)Oc2ccccc2)CC1)c1cccs1 90607342 PXKLFZJEJWDQPB-KRWDZBQOSA-N 430.526 3.724 0 40 IHAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CC(S(=O)(=O)c2ccc(F)cc2)C1 96104266 RWDQRIDRSWFFIO-UHFFFAOYSA-N 434.876 3.741 0 40 IHAB CCOc1ccc(C(=O)CCC(=O)Nc2ccc(C(=O)N3CCC(CO)CC3)cc2)cc1 97046498 PLGOJHZMHOUMKH-UHFFFAOYSA-N 438.524 3.531 0 40 IHAB C[C@@H](C(=O)NCCSCc1ccc(Cl)cc1)N(c1cccc(F)c1)S(C)(=O)=O 220469016 RDPPXTSMCJSGFH-AWEZNQCLSA-N 444.981 3.683 0 40 IHAB CN(Cc1ccccc1)C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 222624039 HMQKZDPMNTXCHX-UHFFFAOYSA-N 428.476 3.910 0 40 IHAB COc1ccc(CN(C(=O)COc2ccccc2)[C@H](C)C(=O)NCCc2ccccc2)cc1 223001112 LGWSGPDKJCOHBZ-OAQYLSRUSA-N 446.547 3.850 0 40 IHAB C[C@@H](C(=O)NCCSC1CCCC1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 223850592 UNPFWZWJLBCJMT-LBPRGKRZSA-N 439.430 3.940 0 40 IHAB COc1ccc(C(=O)NCc2ccc(C)cc2)cc1CN(C)S(=O)(=O)c1ccccc1 224766238 LAPULWVRLDNDAH-UHFFFAOYSA-N 438.549 3.754 0 40 IHAB Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(S(=O)(=O)N3CCCC3)cc1)CC(C)(C)O2 225570597 ASHNSSAHOSMJIW-HXUWFJFHSA-N 428.554 3.812 0 40 IHAB CC[C@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2CC)c1ccc(OC)c(OC)c1 225697971 JXXSNHSVIKMXLL-HNNXBMFYSA-N 436.555 3.530 0 40 IHAB CC[C@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O 245228482 ZVVCGFNPWQUFIO-IVZYZONNSA-N 443.544 3.571 0 40 IHAB Cc1ccc2[nH]nc(C(=O)N3CCC[C@H](CC(=O)Nc4ccc5nc(C)[nH]c5c4)C3)c2c1 257219011 DFGFFUZKCPSCIP-MRXNPFEDSA-N 430.512 3.937 0 40 IHAB Cc1nc(-c2ccc(OCC(=O)N3CC[C@H](Oc4ccccc4)[C@@](C)(O)C3)cc2)cs1 257229176 FWZNFMGWKFCDKM-UPVQGACJSA-N 438.549 3.928 0 40 IHAB CN(Cc1ccc(OCCF)cc1)C[C@@H](O)Cn1c(C(F)(F)F)nc2ccccc21 257296290 RCBSJURUGAFUIU-MRXNPFEDSA-N 425.426 3.896 0 40 IHAB Cc1ccc(NCC(=O)N2CCC[C@@](COc3ccc(Cl)cc3)(CC(N)=O)C2)cc1 257305918 SSCCEDUCABLQOO-HSZRJFAPSA-N 429.948 3.624 0 40 IHAB CCOc1cccc(N(CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)S(C)(=O)=O)c1 260840502 VUMLRKWAVSPEMX-QGZVFWFLSA-N 430.570 3.608 0 40 IHAB CC(C)n1nccc1[C@H]1CN(C(c2ccccc2)c2ccccc2)C[C@@]12OCCN(C)C2=O 306131210 JYPSHEJIKUOVIO-YIXXDRMTSA-N 444.579 3.880 0 40 IHAB CCn1cc(CN2CCC3(CC2)c2ccccc2N(Cc2ccccc2)S3(=O)=O)cn1 306138546 SAFACOXIJASUDY-UHFFFAOYSA-N 436.581 3.744 0 40 IHAB O=C1N(Cc2ccccc2)CCO[C@@]12CN(Cc1cccc(F)c1)C[C@@H]2c1cccnc1 306143523 YEPMFWPJJIPTDD-AOYPEHQESA-N 431.511 3.618 0 40 IHAB O=C(CNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1)Nc1ccc(Cl)c(Cl)c1 408554880 VDTJDSUUBQSIBN-UHFFFAOYSA-N 434.201 3.706 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(C(C)=O)c3)C2)cc1C 408557987 PNWDSHZISMSYOG-IBGZPJMESA-N 444.553 3.636 0 40 IHAB COc1cc(C)nc(O)c1CNC(=O)c1c(C)n([C@H](C)C2CCNCC2)c2ccccc12 504512085 TTZAIUFQJUVFEZ-MRXNPFEDSA-N 436.556 3.858 0 40 IHAB C[C@@H](NC(=O)Nc1cc2ccccn2n1)c1cccc(NC(=O)Cc2ccccc2F)c1 578540001 GWYLPHAVRBJUFT-MRXNPFEDSA-N 431.471 4.537 0 40 IHAB COc1cccc(NC(=O)c2ccc3c(c2)Cc2cccc(c2)C(=O)NCCOCCO3)c1 643575744 NPDSVMIVULLTSA-UHFFFAOYSA-N 446.503 3.677 0 40 IHAB CC1(C)[C@@H](c2ccc(F)c(F)c2)CCN1C(=O)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1 1215966489 RWWKVJKFZBGMES-APWZRJJASA-N 442.466 3.515 0 40 IHAB CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N3CCc4ccccc43)cc2c1 782117 FJPWZCMDOCCZFN-JOCHJYFZSA-N 428.540 3.984 0 40 IHAB Cc1cc(C)c2[nH]c(=O)c(CN(CCCN3CCOCC3)C(=O)Nc3ccccc3)cc2c1 880323 YJGMCDFYAZMGSH-UHFFFAOYSA-N 448.567 3.901 0 40 IHAB CCOC(=O)c1c(NC(=O)c2ccc3c(c2)OCO3)sc(C(=O)N2CCCCC2)c1C 1438276 SSHYEJWESWPPCB-UHFFFAOYSA-N 444.509 3.840 0 40 IHAB CCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2cccc(OC)c2OC)C1=O 2104083 CITJSBWKZIMZQM-GBXCKJPGSA-N 447.535 3.670 0 40 IHAB biogenic CCCCN(C(=O)CC(c1ccccc1)c1ccccc1)c1c(N)n(CCC)c(=O)[nH]c1=O 2660925 HNWZYRWRWBBCNA-UHFFFAOYSA-N 448.567 3.884 0 40 IHAB CC(=O)c1ccc(N([C@@H](C)C(=O)N2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 3339109 FNKWUMVYEUIBHG-SFHVURJKSA-N 428.554 3.794 0 40 IHAB c1ccc(-n2ncc3c(N4CCN(c5ccccn5)CC4)nc(N4CCCCC4)nc32)cc1 4296065 HHECWDWZJSCJNJ-UHFFFAOYSA-N 440.555 3.527 0 40 IHAB COc1ccc(CCNC(=O)[C@@H]2CCCN(c3nc4ccccc4s3)C2)cc1OC 4967868 BENPXDBVPPILHU-QGZVFWFLSA-N 425.554 3.889 0 40 IHAB COc1ccc(C(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3c2cc(-c3ccccc3)nn2C)cc1 8635324 LJFVCKUNEMNYEF-XJUOHMSHSA-N 430.552 3.704 0 40 IHAB biogenic,in-vitro COc1cccc(NC(=O)CSc2nnc(-c3ccoc3C)n2C[C@@H]2CCCO2)c1 8666743 REDICIQXDGYRAT-KRWDZBQOSA-N 428.514 3.765 0 40 IHAB C[C@H](C(=O)Nc1cccc2ccccc12)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1 8708421 GETGDXZMGOIFRW-LJQANCHMSA-N 446.551 3.574 0 40 IHAB Cc1c(C(N)=O)sc2ncn(CC(=O)Nc3c(C(C)C)cccc3C(C)C)c(=O)c12 8717617 DHEHLZQTDGPGOC-UHFFFAOYSA-N 426.542 3.751 0 40 IHAB COCCNC(=O)c1c(NC(=O)c2cc(=O)c3ccc(C)cc3o2)sc2c1CCCC2 8915348 QJHVOZDLXSBZFB-UHFFFAOYSA-N 440.521 3.670 0 40 IHAB CCOC(=O)c1ccc2nc(NC(=O)c3nn(-c4cccc(C)c4)ccc3=O)sc2c1 8917517 JHMOHMKQKYCRMD-UHFFFAOYSA-N 434.477 3.580 0 40 IHAB O=C(CCn1c(=O)c2sccc2n(Cc2ccc(F)cc2)c1=O)Nc1ccc(F)cc1 9186351 DFWXAQBIPMRQDY-UHFFFAOYSA-N 441.459 3.580 0 40 IHAB COc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2ccc(C)cc2)cc1Cl 9238597 XLOQVJDZDFNLSW-QZTJIDSGSA-N 429.933 3.955 0 40 IHAB C[C@H](NC(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)c1cccc(Cl)c1 9377798 ABKLYYYZQSFSLO-ZDUSSCGKSA-N 439.928 3.732 0 40 IHAB Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3cc4ccccc4o3)C2=O)c(C)n1C[C@@H]1CCCO1 9548458 LDBRWNBMPZAOKG-AVRWGWEMSA-N 449.507 3.680 0 40 IHAB C[C@@H]1CCc2sc(-c3nnc(SCC(=O)c4ccc(CC(N)=O)s4)o3)cc2C1 9789051 CUOHYRGYFWRDDR-SNVBAGLBSA-N 433.580 3.987 0 40 IHAB CCOC(=O)c1oc2ccccc2c1COC(=O)CCCN1C(=O)c2ccccc2C1=O 9812409 BUDPICLQTPUWFV-UHFFFAOYSA-N 435.432 3.729 0 40 IHAB Cc1ccc(SCCNC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1 9888931 FNMAHQUBGRJFGR-UHFFFAOYSA-N 446.638 3.921 0 40 IHAB COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2Cc2ccco2)cc1 9933958 FIJJXQWHYGZFBO-OAQYLSRUSA-N 433.464 3.963 0 40 IHAB COc1ccc(-c2nc3n(n2)[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)CC(=O)N3)cc1 10153475 NNIKPHMVPIYQNZ-OAHLLOKOSA-N 432.267 3.783 0 40 IHAB c1cc2c(cc1Nc1nc(Nc3ccc4c(c3)OCCO4)nc(N3CCCC3)n1)OCCO2 10213454 XPIRJEBQEPNPBS-UHFFFAOYSA-N 448.483 3.501 0 40 IHAB Cc1cc(C(=O)CSc2nnnn2C[C@H]2CCCO2)c(C)n1Cc1ccccc1Cl 10276227 RPQIMHRPRXWZCK-QGZVFWFLSA-N 445.976 3.947 0 40 IHAB O=C(C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1)N1CCc2sccc2C1 10923475 JRNYFEGVYDBBGI-UHFFFAOYSA-N 442.965 3.526 0 40 IHAB C[C@@H](OC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)C(=O)N1c2ccccc2C[C@H]1C 11283897 MBKNQYWXITYGLH-IAGOWNOFSA-N 438.499 3.587 0 40 IHAB CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1nc2cc3c(cc2s1)OCCO3 11751564 KEAFODRXIJHECG-ORAYPTAESA-N 425.510 3.851 0 40 IHAB O=C(N[C@@H]1C[C@]2(CCC(=O)N(Cc3ccccc3)CC2)Oc2ccccc21)c1cnccn1 12086487 PUODGUYPIWSJRA-QFQXNSOFSA-N 442.519 3.682 0 40 IHAB CCCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)Cc3ccc(Cl)cc3)ccc21 12180476 YXDNZPUCFKZYPP-UHFFFAOYSA-N 442.990 3.774 0 40 IHAB Cc1ccc(O[C@H](C)C(=O)N2CCC[C@H](c3nc4ccc(F)cc4cc3C(N)=O)C2)cc1 12256208 GYTXKVIDAIEGRE-SJORKVTESA-N 435.499 3.955 0 40 IHAB CC(=O)c1cc2c(cc1NC(=O)COc1ccccc1C(=O)NCc1ccccc1)OCO2 12741659 MOCOEPYPLAZSPK-UHFFFAOYSA-N 446.459 3.565 0 40 IHAB CCOC(=O)[C@H](NC(=O)Cc1ccc(OC)cc1)c1c(C)nn(-c2ccc(F)cc2)c1C 12787494 KVZMAHMNZDCGRV-HSZRJFAPSA-N 439.487 3.600 0 40 IHAB CCCCn1c(=O)n(C)c(=O)c2c(C(F)(F)F)cc(-c3ccc(OC)cc3OC)nc21 12791168 AFJRBLDZJWXEDF-UHFFFAOYSA-N 437.418 3.598 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)c(C)c1 13042340 OFNVLXGAVYYABP-UHFFFAOYSA-N 436.599 3.977 0 40 IHAB CCOC(=O)c1sc(NC(=O)[C@H](C)Sc2nnc3c(n2)[nH]c2ccccc23)nc1C 13494683 BSCAGMZZPXMMQE-JTQLQIEISA-N 442.526 3.567 0 40 IHAB Cc1ccccc1N(CC(=O)NCc1ccc2c(c1)OCO2)C(=O)c1ccc(Cl)nc1 13563967 MWFJNPZPQOPALE-UHFFFAOYSA-N 437.883 3.735 0 40 IHAB COc1ccc([C@@H]2CC(=O)Nc3nc(SCc4cccc(F)c4)[nH]c(=O)c32)c(OC)c1 13567367 SWBOZOFSGOJNOI-INIZCTEOSA-N 441.484 3.693 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)N1c2ccccc2C[C@H]1C 13670102 XZVKLLKIPMAYNC-QGZVFWFLSA-N 428.554 3.707 0 40 IHAB CC1(C)Cc2sc3c(=O)n(CC(=O)c4ccc(Br)cc4)cnc3c2CO1 13686199 WQHZSNVKBWSSQL-UHFFFAOYSA-N 433.327 3.955 0 40 IHAB COc1ccc(CCS(=O)(=O)Nc2ccc3c(c2)N(C(=O)C2CCCC2)CC3)cc1 13696372 UFFDVYJGTIIJKU-UHFFFAOYSA-N 428.554 3.759 0 40 IHAB COc1ccc(OC)c([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)c1 13749929 VQCOQBCTHBUVPH-VJBWXMMDSA-N 448.450 3.894 0 40 IHAB CC(=O)c1ccc(OCCCC(=O)NCC(=O)Nc2ccc(Br)cc2C)cc1 14184770 FODCJVYDUCXMNW-UHFFFAOYSA-N 447.329 3.874 0 40 IHAB OCc1ccc(CN2Cc3nc[nH]c3C[C@H]2c2nc(-c3ccc4ccccc4c3)no2)o1 15675658 XMQUBHGPJAHBGZ-QFIPXVFZSA-N 427.464 3.998 0 40 IHAB biogenic,in-vitro COc1ccc(NC(C)=O)cc1S(=O)(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 16088197 OMPFHMWZRHPMEL-HNNXBMFYSA-N 445.566 3.832 0 40 IHAB COc1ccc(-c2nnc([C@@H](C)OC(=O)C[C@@H]3Sc4ccccc4NC3=O)o2)cc1 18480239 MOUXSMXOEDZANZ-PXAZEXFGSA-N 425.466 3.853 0 40 IHAB Cc1ccc(-c2ccc(C[C@]3(C(N)=O)CCCN(C(=O)c4snnc4C)C3)cc2)cc1 19212410 QNHJYKUOUMBQOG-XMMPIXPASA-N 434.565 3.772 0 40 IHAB Fc1ccc(-c2cnc3c(c2)[C@H](N2CCOCC2)n2nc(-c4cccnc4)nc2S3)cc1 19341250 OORUNGBHOGLDTN-JOCHJYFZSA-N 446.511 3.885 0 40 IHAB C[C@H]1CCc2onc(C(=O)N3CCNC(=O)[C@@H](Cc4ccc(-c5ccccc5)cc4)C3)c2C1 19497136 BNIXHNBXGGZADZ-AVRDEDQJSA-N 443.547 3.897 0 40 IHAB CCCc1ncc(CN2CCC([C@@H]3C[C@H](C(=O)Nc4ccc(F)cc4)CN3C)CC2)cn1 19525736 HNRAOESWOAWKRT-REWPJTCUSA-N 439.579 3.739 0 40 IHAB COc1ccc(-c2cc3nc([C@@H](C)NC(=O)[C@@H](C)Oc4ccccc4F)nn3cn2)cc1 19575501 STBMGFNDQDNHES-HUUCEWRRSA-N 435.459 3.584 0 40 IHAB COc1ccc(NC(=O)Nc2ccc(S(=O)(=O)NCc3ccccc3)cc2)c(OC)c1 19633846 IUQNJZXAEXSRNN-UHFFFAOYSA-N 441.509 3.826 0 40 IHAB COc1ccc(CC(=O)Nc2ccc3c(c2)N(C(=O)c2cccnc2)CCC3)cc1OC 19819190 YOFPWUNNSLNZGG-UHFFFAOYSA-N 431.492 3.873 0 40 IHAB CCOc1ccc(N2C(=O)C[C@H](N3CCC(CCN4CCC(C)CC4)CC3)C2=O)cc1 19890124 WFBRRYBRJMTQEJ-QHCPKHFHSA-N 427.589 3.551 0 40 IHAB O=C(N[C@@H]1CCCc2ccccc21)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 19931110 SPZKBMNDRCJKFB-RPWUZVMVSA-N 434.561 3.770 0 40 IHAB COc1ccc(-n2ccc3c(nnc4c(-c5ccc(F)cc5)c(C)nn43)c2=O)c(OC)c1 19962717 OOPBZQWUWWPGPS-UHFFFAOYSA-N 431.427 3.560 0 40 IHAB COc1ccc([C@@H](C)NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1 20010095 WYJAIOGDCCEMLV-LJQANCHMSA-N 438.549 3.764 0 40 IHAB COC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2C)c1C 20061801 NFSWFDGGXTZINN-UHFFFAOYSA-N 444.553 3.763 0 40 IHAB Cn1c(=O)c2ccccc2n2c(CSc3nnc(-c4ccccc4F)n3C3CC3)nnc12 22001904 CHQMZJFKQMVCRH-UHFFFAOYSA-N 447.499 3.606 0 40 IHAB C[C@H](c1nc2ccccc2s1)N1CCN(C(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)CC1 22298663 GHFGEPHVCAIRPP-PBHICJAKSA-N 438.528 3.767 0 40 IHAB CCc1nc2sc([C@@H](c3ccc(Cl)c(Cl)c3)N3CCN(C)CC3)c(O)n2n1 22854438 KNSWAFAFYBIXOM-OAHLLOKOSA-N 426.373 3.702 0 40 IHAB COc1ccc([C@@H](CNCc2c[nH]nc2-c2ccc(Cl)cc2)N2CCOCC2)cc1 22926840 NKHJZZFSQQGZDN-JOCHJYFZSA-N 426.948 3.902 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](c2nnc(COc3ccccc3)o2)C1 23140421 HYUYKBSGMKNPFJ-KRWDZBQOSA-N 443.525 3.534 0 40 IHAB COc1cc2nc(CN(Cc3ccc4c(c3)OCO4)C3CCCC3)[nH]c(=O)c2cc1OC 27574338 WVRVVOSDLXPLDS-UHFFFAOYSA-N 437.496 3.614 0 40 IHAB Cc1c(C(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)[nH]c2c1C(=O)CCC2 30058845 YZWGKYLUJBXBIS-UHFFFAOYSA-N 437.521 3.920 0 40 IHAB CCN(CC(=O)Nc1ccc(OC)cc1)CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1 30223347 SMNKEOHBAFOTMM-UHFFFAOYSA-N 447.539 3.657 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(C4CC4)nc4ccccc34)CC2)cc1C 31033669 OXJSSUWNNKOCKR-UHFFFAOYSA-N 449.576 3.876 0 40 IHAB CCN(CC(=O)Nc1ccnn1Cc1cccc(Cl)c1)C[C@H]1COc2ccccc2O1 31174652 QGJOVGVZYUYYPQ-IBGZPJMESA-N 440.931 3.685 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)C2(C(=O)N(C)Cc3ccc4c(c3)OCO4)CCCC2)c1 32410561 AHHVSUBQDDXRKE-UHFFFAOYSA-N 429.538 3.777 0 40 IHAB O=C(CSc1nc(-c2ccco2)nc2ccccc12)N1CCN(C(=O)c2ccco2)CC1 32868649 KYHJNLBHKOIJGM-UHFFFAOYSA-N 448.504 3.560 0 40 IHAB Cc1ccc(CNC(=O)c2cc(-c3ccc(C)c(C)c3)n([C@@H]3CCS(=O)(=O)C3)n2)cc1 33325693 KLJJEGRRTYVRJV-OAQYLSRUSA-N 437.565 3.765 0 40 IHAB CN1CCN(S(=O)(=O)c2ccc(Oc3cc(Cl)c(Cl)cc3Cl)nc2)CC1 34858967 RIHOPYFXRSYZMC-UHFFFAOYSA-N 436.748 3.770 0 40 IHAB COc1cc(C(C)=O)ccc1OC[C@H](O)CN1CCC[C@H]1c1ccc2c(c1)OCCCO2 36391746 GOBNOUVKZBLXIK-RTWAWAEBSA-N 441.524 3.636 0 40 IHAB CCCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)cc1 44847504 YAJUUDPMAASQLC-UHFFFAOYSA-N 446.525 3.580 0 40 IHAB CN(C)c1ccc(C(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1F 48331593 CFHKVFUOTRIXPO-UHFFFAOYSA-N 430.833 3.921 0 40 IHAB Cc1cc(C)c(NC(=O)Cn2nc3c(SC4CCCCC4)nccn3c2=O)c(C)c1 49008912 UFKVZCBAGXNOEJ-UHFFFAOYSA-N 425.558 3.880 0 40 IHAB CC(C)(C)c1ccc(C(=O)NC2CCN(C(=O)c3cn(-c4cccc(F)c4)nn3)CC2)cc1 49406028 IVVJSPVESNKHHA-UHFFFAOYSA-N 449.530 3.739 0 40 IHAB CCOc1ccc(-n2c(SCC(=O)N(C)c3cccc(C)c3)nc3[nH]ncc3c2=O)cc1 51316461 OAPUDKRQDDWWCY-UHFFFAOYSA-N 449.536 3.571 0 40 IHAB Cc1ccc2c(c1)c1c3n2CCN(C(=O)CN2CCN(c4ccccc4)CC2)[C@H]3CCC1 55220744 VXNXXHMIKHFYCZ-VWLOTQADSA-N 428.580 3.992 0 40 IHAB CN(C[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1Br)c1ccccc1 58105994 QNTSYZZRVUHCEQ-INIZCTEOSA-N 427.339 3.878 0 40 IHAB Cc1cccc(N(CC(=O)NCCOc2ccccc2C)S(=O)(=O)c2ccccc2)c1 59475216 HZKDGLDIWMYWSV-UHFFFAOYSA-N 438.549 3.694 0 40 IHAB Cc1nn(-c2ccccc2)c(Cl)c1CS(=O)(=O)[C@@H](C)C(=O)N[C@H]1CCCC[C@@H]1C 59744973 RVHGGEZLSNNUJZ-QOKNQOGYSA-N 437.993 3.832 0 40 IHAB Cc1ccc(NC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccccc3)c2=O)c(Cl)c1 64838498 AJJYLPUDXBRUSX-UHFFFAOYSA-N 444.940 3.898 0 40 IHAB Cc1cccc(CNC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2-c2ccc(F)cc2)c1 67319775 MIQKKRMVRQIVOS-UHFFFAOYSA-N 436.512 3.878 0 40 IHAB Cc1nc2ccccc2n1CCCNC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2 69313731 DPMVVKXHWGGJTG-UHFFFAOYSA-N 437.588 3.509 0 40 IHAB O=C(c1cccnc1Oc1ccc(Br)cc1)N1CCC[C@@H](c2nc[nH]n2)C1 72313786 KEIKNRWYHJPAII-CYBMUJFWSA-N 428.290 3.774 0 40 IHAB Cc1ccc2c(c1)C(=O)C[C@]1(CCC(=O)N([C@@H](C)C(=O)NC3CCC(C)CC3)CC1)O2 72328063 WZSFLVCHJWDJJY-OUVWLGDXSA-N 426.557 3.795 0 40 IHAB Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@H]2CCCN(CC(=O)N3CCCC3)C2)n1 72345931 WOHPJAVYOAOQMW-INIZCTEOSA-N 433.478 3.546 0 40 IHAB Cc1nc2cc([C@@H]3CCCN3C3CCOCC3)nn2c(C)c1CCC(=O)NC1CCCC1 72351293 APEYNQFPQDZSCX-QHCPKHFHSA-N 439.604 3.653 0 40 IHAB O=C(NCCn1ccc2ccccc21)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 72403462 VPRFWAIIBIRAFF-UHFFFAOYSA-N 445.972 3.512 0 40 IHAB CCN(C(C)=O)c1nc(/C=C2/CCc3cc(OC(C)(C)C(=O)O)ccc3C2=O)cs1 84779691 JQPQTHAHBVCFHU-GDNBJRDFSA-N 428.510 3.970 0 40 IHAB Cc1cc(C)n2nc(C(=O)N3CCC[C@H](Cc4nc(C5CCCCCC5)no4)C3)nc2n1 89595924 BEZFJCHCZAMCBF-QGZVFWFLSA-N 437.548 3.657 0 40 IHAB O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)N(C[C@@H]1CCCO1)C[C@@H]1CCCO1 89781038 PHTGNKBIXLQHLA-VXKWHMMOSA-N 429.561 3.895 0 40 IHAB COc1ccc(NC(=O)N2CCN(c3cc(Nc4ccccn4)nc(C)n3)CC2)c(C)c1 90608006 YTEFPRFDUWZYHT-UHFFFAOYSA-N 433.516 3.595 0 40 IHAB CC(=O)c1ccc(NC(=O)c2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@H]6C[C@H]56)[C@H]4C3=O)cc2)cc1 102082492 KAWRQJJFUFRVDG-RCQJKQRMSA-N 426.472 3.699 0 40 IHAB COC(=O)c1cccc(NC(=O)[C@@H](C)N(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c1 220436610 MCERNWWTWICHNS-LLVKDONJSA-N 445.324 3.573 0 40 IHAB CC[C@@H](C(=O)NCCc1ccc(OC)cc1)N(c1cc(Cl)ccc1C)S(C)(=O)=O 220712547 XUMQHWWHWNCRIK-IBGZPJMESA-N 438.977 3.561 0 40 IHAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(OC)c(OC)c1 222805579 FRCDBTJYZKSOMD-INIZCTEOSA-N 432.948 3.843 0 40 IHAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2Cc2ccccn2)N1Cc1ccncc1 223510957 TWMVVIGDQXGREP-DHIUTWEWSA-N 426.549 3.894 0 40 IHAB CC[C@@H](C(=O)NCCOc1ccccc1Cl)N(c1ccc(C)c(C)c1)S(C)(=O)=O 224312229 XFBSPNXGJBWVBJ-IBGZPJMESA-N 438.977 3.697 0 40 IHAB Cc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1S(=O)(=O)N1CCCC1 225160673 CSILCCHXNKLFLP-UHFFFAOYSA-N 426.460 3.728 0 40 IHAB CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C)c2)cc1OC 225201020 ASCQVPSCSRXJBU-FCHUYYIVSA-N 435.553 3.954 0 40 IHAB Cc1c(C(=O)N2CCOC[C@@H](Cc3cccc4ccncc34)C2)cccc1N1CCOCC1 257208315 BLQRIGVIHLEVJU-NRFANRHFSA-N 445.563 3.711 0 40 IHAB CC(C)(NC(=O)COc1ccccc1)C(=O)N1CCC[C@H]1c1ccnc(-c2ccccc2)n1 257216220 CTPIKHALOIGNQT-QFIPXVFZSA-N 444.535 3.781 0 40 IHAB CO[C@H]1CC[C@H](C(=O)NC2CCN(Cc3cc(-c4ccc(F)cc4)nn3C)CC2)CC1 257234007 GRRGZOLTNQQQNX-LBZQVFOQSA-N 428.552 3.512 0 40 IHAB O=C(NCCC(=O)N1CCC[C@@H]1c1ccnc(-c2cccc(Cl)c2)n1)c1cccnc1 257263977 LSIYIVLAGXLCDN-HXUWFJFHSA-N 435.915 3.676 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](C)c3ccc(F)cc3)C2)cc1 260575668 ILTPSHFQQZMQTK-SJLPKXTDSA-N 434.533 3.503 0 40 IHAB O=C1N(Cc2ccncc2)CCO[C@]12CN(Cc1ccc(Cl)cc1)C[C@H]2c1cccnc1 306126183 DOYWLJZAPUBVST-ZCYQVOJMSA-N 448.954 3.527 0 40 IHAB CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 408560448 ZNULKQQKUJHACW-UHFFFAOYSA-N 430.448 3.801 0 40 IHAB CS(=O)(=O)N(CC(=O)NC12CC3CC(CC(C3)C1)C2)c1cccc(C(F)(F)F)c1 408617962 IDEVQHMXOPSTNO-UHFFFAOYSA-N 430.492 3.556 0 40 IHAB CCc1ccccc1NC(=O)COC(=O)CCC(=O)Nc1ccc(Br)cc1 408663856 OZSPQYPVJZFKOA-UHFFFAOYSA-N 433.302 3.912 0 40 IHAB CC(=O)COC(=O)c1ccc2c(c1)C(=O)N(c1cc(C(F)(F)F)ccc1Cl)C2=O 409181283 AODQECDQWCZXRQ-UHFFFAOYSA-N 425.746 3.905 0 40 IHAB Cc1cc(C)c(NC(=O)CSc2nnc([C@H](C)NC(=O)c3ccccc3)n2C)c(C)c1 409332661 QVYGJIYODFHOPB-KRWDZBQOSA-N 437.569 3.962 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NC1CCCCC1)c1ccc(C)cc1 409387280 AIGIENOCJXBCJU-UHFFFAOYSA-N 430.570 3.956 0 40 IHAB O=C(Nc1ccccc1-n1ncc2c(O)ncnc21)c1ccc(Cl)c(N2CCCC2=O)c1 642249907 PQBQZWBRRMSQBS-UHFFFAOYSA-N 448.870 3.554 0 40 IHAB CC(C)C[C@H]1COc2ccccc2C(=O)N(C)CCCCCCN1C(=O)c1cnc[nH]1 643584676 UFJSQPUAKSLODW-IBGZPJMESA-N 426.561 3.992 0 40 IHAB Cc1ccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)cc1 1003880 TWZALWCBTFZPCQ-UHFFFAOYSA-N 439.562 3.947 0 40 IHAB aggregator C[C@@H](OC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)C(=O)NCCC1=CCCCC1 4790486 DXBSLMSAYLEGQO-QGZVFWFLSA-N 430.520 3.616 0 40 IHAB COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3CCCC[C@H]3C)cc2c1 6283140 CPEBGTAZKBMUOX-HXOBKFHXSA-N 444.539 3.535 0 40 IHAB COc1cc(CC(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)cc(OC)c1OC 8130848 HZCPIUOOPBSSBU-HSZRJFAPSA-N 429.513 3.930 0 40 IHAB CC1CCN(C(=O)CSc2nc3c(c(=O)n2Cc2ccccc2)S[C@H](C)C3)CC1 8661562 VTBRXINQVOMKJO-MRXNPFEDSA-N 429.611 3.679 0 40 IHAB CCCCOC(=O)c1cccc(NC(=O)CCC(=O)OCC(=O)c2cccc(OC)c2)c1 9094738 LZONOHJPFYUINU-UHFFFAOYSA-N 441.480 3.797 0 40 IHAB COc1ccc(Cl)cc1NC(=O)c1cccc(NC(=O)[C@@H]2[C@H]3C(=O)O[C@@H]4C[C@H]2C[C@H]34)c1 9226317 FCUQAEXLQOHCQV-NXILAULNSA-N 440.883 3.737 0 40 IHAB COc1cn(-c2ccccc2)nc1C(=O)OCC(=O)NCc1ccc(Cl)cc1Cl 9244662 DSQWKHZZBURVTK-UHFFFAOYSA-N 434.279 3.661 0 40 IHAB Cc1ccc(NC(=O)CSc2nnc3n(C)c(=O)c4c5c(sc4n23)CCCC5)cc1 9301811 DXPWQZSMYUPNHM-UHFFFAOYSA-N 439.566 3.561 0 40 IHAB CCOc1ccc(CN(C(=O)Cc2coc3ccc(C)cc23)[C@H]2CCS(=O)(=O)C2)cc1 9430855 CNZZBSLWIVKEGP-FQEVSTJZSA-N 441.549 3.898 0 40 IHAB O=C(CSc1ccc2c(c1)OCCO2)N1CCN(c2cccc(C(F)(F)F)c2)CC1 9461408 SUNHECUUYFDUSN-UHFFFAOYSA-N 438.471 3.918 0 40 IHAB O=C(Nc1ccccc1F)c1cn(C[C@H]2CCCO2)cc2c(=O)n(-c3ccccc3)nc1-2 9663609 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Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 12769451 FZROVAWJRLDOSN-UHFFFAOYSA-N 437.880 3.945 0 40 IHAB COc1cc(C(=O)N2CCN(c3ccnc4cc(Cl)ccc34)CC2)cc(OC)c1OC 12863725 JMDAEAFHJMZYFG-UHFFFAOYSA-N 441.915 3.876 0 40 IHAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)CCOc2ccc(OCC)cc2)c1C 12993717 FCPNBEXPWCYAHI-INIZCTEOSA-N 431.485 3.790 0 40 IHAB Cc1cc(OCC(=O)NC2CCN(Cc3ccccc3)CC2)c2c(C)c(C)c(=O)oc2c1 13557423 CWXMLSZTEFTJLC-UHFFFAOYSA-N 434.536 3.878 0 40 IHAB CC1(C)[C@@H](C(=O)N(Cc2ccc(F)cc2)[C@@H]2CCS(=O)(=O)C2)[C@@H]1C=C(Cl)Cl 13759339 FSGDLKDCMCTAEZ-HLLBOEOZSA-N 434.360 3.933 0 40 IHAB COc1ccc(OC)c(NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)c1 15398137 QMXROFDJIGANHJ-UHFFFAOYSA-N 440.521 3.846 0 40 IHAB CCCCN1C(=O)CC[C@@H](C(=O)OCc2ccc(C(N)=O)cc2)[C@@H]1c1ccc(OC)cc1 16563703 MRZJVXBNXXTGIM-GGAORHGYSA-N 438.524 3.617 0 40 IHAB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1cc(Cl)c2c(c1)OCO2 17862575 QOTSETGLKJOOQZ-UHFFFAOYSA-N 439.693 3.850 0 40 IHAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)c3ccn(C)c(=O)c3)cc2N1 19451276 SWPZIBJBPIAQHX-BHYGNILZSA-N 437.466 3.503 0 40 IHAB CN1CCc2nc([C@@H]3CCCN(C(=O)[C@H](c4ccccc4)C4CCCCC4)C3)[nH]c(=O)c2C1 19590211 NTNGDOTZDZICGB-ZJSXRUAMSA-N 448.611 3.828 0 40 IHAB COc1cc(CN2CCNC(=O)[C@@H](Cc3ccccc3-c3cccnc3)C2)cc(OC)c1 19595122 HSMCCKQPSAORBE-QFIPXVFZSA-N 431.536 3.557 0 40 IHAB CCN(CC)CCNc1nc2sc3c(c2c(=O)n1-c1cccc(Cl)c1)CCN(C)C3 20358192 OKJVIOCFUHXVAD-UHFFFAOYSA-N 446.020 3.842 0 40 IHAB CC[C@H](NC(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O)c1ccccc1 20462067 AWRRZVYHGRGLMA-SFHVURJKSA-N 439.375 3.791 0 40 IHAB COc1cc2c(cc1OC)[C@H](c1c(O)[nH]c(=S)n(-c3ccc(Cl)cc3)c1=O)NCC2 20519168 FMGMRRVTGPKGFM-GOSISDBHSA-N 445.928 3.506 0 40 IHAB COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OC(F)F 21270678 BASXNPOEBHTEAF-GDNBJRDFSA-N 436.461 3.843 0 40 IHAB Cc1cc(NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)no1 21273616 BJXLITHEMZOKFW-UHFFFAOYSA-N 437.880 3.605 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)NCCC1=CCCCC1 22248454 UBCDNMFDGYZOOQ-UHFFFAOYSA-N 428.982 3.756 0 40 IHAB C[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)CC2)C1 22512570 FDRCOEJBMMQECU-AWEZNQCLSA-N 433.401 3.794 0 40 IHAB CN(Cc1cccs1)C(=O)COC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 22827281 GWRHLNONWINDTP-UHFFFAOYSA-N 432.505 3.811 0 40 IHAB O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)[C@@H]1CC(=O)N(CCc2ccccc2)C1 22924555 LVORSRWZLQKISD-QGZVFWFLSA-N 435.505 3.569 0 40 IHAB COc1ccccc1NC(=O)Cc1nc(COC(=O)c2ccc(-n3cccn3)cc2)cs1 24235066 HRXHUCFLXFFQFZ-UHFFFAOYSA-N 448.504 3.876 0 40 IHAB Cc1ccccc1[C@@H](OC[C@H](O)Cn1c(CC(N)=O)nc2ccccc21)c1ccccc1 25265819 DQMGHLXEJCVLEK-IBVKSMDESA-N 429.520 3.540 0 40 IHAB COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2c2ccc(OC)c(OC)c2)cc1 25613417 NKJLVPQYPYSSHE-GEWJFNTHSA-N 438.524 3.594 0 40 IHAB O=C(/C=C/c1ccc(Br)s1)Nc1cccc(S(=O)(=O)NC2CC2)c1 26061632 OEQWFKVFUBDCAI-VQHVLOKHSA-N 427.345 3.603 0 40 IHAB Cc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H]2CCS(=O)(=O)C2)cc1 27745702 PDHGTYCLIVPCDB-KRWDZBQOSA-N 442.364 3.897 0 40 IHAB CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)Nc1cc(C(C)(C)C)no1 32739520 VPJGIFBCPZEDGW-GOSISDBHSA-N 435.908 3.562 0 40 IHAB COc1cc(CCC2CCN(C(=O)[C@H]3CCCN(c4ncccn4)C3)CC2)cc(OC)c1 32795886 JELACIPDGQTDPD-NRFANRHFSA-N 438.572 3.582 0 40 IHAB COc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)cc1 32820931 GMLPPBKBHMIDMC-KBXCAEBGSA-N 442.537 3.941 0 40 IHAB COc1ccc(NC(C)=O)cc1NC(=O)C1(S(=O)(=O)c2cc(C)ccc2C)CCCC1 32856182 QZPXWRPKIRREPQ-UHFFFAOYSA-N 444.553 3.996 0 40 IHAB Cc1ccc(-c2nc(CN3C(=O)N[C@](C)(c4cccc(Br)c4)C3=O)no2)cc1 40050111 ZAWGSPPVSRBZKU-HXUWFJFHSA-N 441.285 3.775 0 40 IHAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)N[C@H]3CCCc4ccccc43)CC2)cc1 44903706 GZOJFUVQYOYGSF-QHCPKHFHSA-N 426.582 3.731 0 40 IHAB COc1ccc(CNC(=O)c2nnn(-c3ccc(Br)c(C)c3)c2C)c(OC)c1 51317890 DUWRJQUYMHWUTK-UHFFFAOYSA-N 445.317 3.594 0 40 IHAB O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)[C@H]1CC(=O)N(C2CCCC2)C1 58159584 NTHLFCUCBZHDBA-QFIPXVFZSA-N 446.595 3.738 0 40 IHAB CCn1nc(C)c2nc(SCC(=O)Nc3ccc(C)cc3)n(Cc3ccco3)c(=O)c21 64817463 XNCCIOYQEMJDGU-UHFFFAOYSA-N 437.525 3.602 0 40 IHAB COc1cccc2c(C)c(C(=O)N3C[C@H]4CC[C@]5(NC(=O)c6ccccc6N5)[C@H]4C3)[nH]c12 72326884 KEUPXANVVMDCSJ-DZQNVJDRSA-N 430.508 3.519 0 40 IHAB Cc1ccc2occ(CN3CCC[C@@H](c4cc(=O)[nH]c(-c5cccnc5)n4)C3)c(=O)c2c1 72393091 OPUVHVYVHONELJ-GOSISDBHSA-N 428.492 3.626 0 40 IHAB CC(C)S(=O)(=O)c1ccc(C(=O)OC2CN(c3nc4ccc(F)cc4s3)C2)cc1 77200616 MWTCHSMKKRXLMO-UHFFFAOYSA-N 434.514 3.663 0 40 IHAB O=c1occ(CN2CCCCCC2)c(O)c1CN1CCN(Cc2cccc(Cl)c2)CC1 79495722 CTICNINYIMSRKF-UHFFFAOYSA-N 445.991 3.693 0 40 IHAB Cn1c(=O)n(CCC(=O)N2CCCCC[C@H]2c2noc(-c3ccccc3)n2)c2ccccc21 96001338 MOKGQPFOKVRMIR-NRFANRHFSA-N 445.523 3.924 0 40 IHAB COc1ccc(S(=O)(=O)NCC2(Sc3ccccc3)CCOCC2)cc1Cl 96331228 OSIKHMZQMZQSHN-UHFFFAOYSA-N 427.975 3.968 0 40 IHAB CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C[C@H]([C@H]5C(c6ccccc6Cl)=NO[C@H]45)[C@H]3C2=O)cc1 100204618 OCLBEOGWDVALDN-NPWIQSMTSA-N 434.879 3.717 0 40 IHAB COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3ON2c2ccccc2)ccc1O 102710685 QVKLBFGOEMTFQC-DNVJHFABSA-N 430.460 3.760 0 40 IHAB O=C(c1cccc(Cl)c1)N(CCO)CCCN1C(=O)c2cccc3cccc(c23)C1=O 104375291 ADXCNNUCQVVRIA-UHFFFAOYSA-N 436.895 3.614 0 40 IHAB CCCn1c(=O)sc2cc(S(=O)(=O)NCCOc3ccccc3C(C)C)ccc21 223838317 SMIWXLXUFSONCG-UHFFFAOYSA-N 434.583 3.954 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCOc1cccc(C)c1C 223929464 MYHLKCCWQINOHW-UHFFFAOYSA-N 430.570 3.595 0 40 IHAB CC[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N(c1cccc(OC)c1)S(C)(=O)=O 224889386 XNXNPBKFZIPXLF-KRWDZBQOSA-N 446.447 3.777 0 40 IHAB O=C(Nc1nnc(S(=O)(=O)NCC2=CCCCC2)s1)c1ccc(Cl)cc1Cl 225102049 KIBJEMWYDBLMCS-UHFFFAOYSA-N 447.369 3.876 0 40 IHAB CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN1C(=O)c2cccc3cccc1c23 225394495 XAUIMKMRHGVDPC-OAHLLOKOSA-N 435.911 3.617 0 40 IHAB O=C(c1ccccc1)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 225513365 MSXRVYJDIUYKJK-HXUWFJFHSA-N 448.544 3.957 0 40 IHAB CCOC(=O)c1cccc(NC(=S)NCc2ccc(CN3CCCC3=O)cc2)c1C 225649547 ZBPDZYVPCGZRRK-UHFFFAOYSA-N 425.554 3.781 0 40 IHAB CCCSc1nnc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)s1 225720302 PLVYARSAQRVJQR-UHFFFAOYSA-N 430.602 3.798 0 40 IHAB O=C(CCc1cccc(Oc2ccc(F)cc2)c1)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 238870697 MVDGLWRJDJOTAN-GOTSBHOMSA-N 448.494 3.713 0 40 IHAB COCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(OC)c(CN(C)C)c4)OCC[C@@]31C2 257209002 BOOBJLMQCFQMHQ-FKDXMPTGSA-N 444.616 3.792 0 40 IHAB Cc1nc([C@@H]2CCN(C(=O)CCc3ccccc3)C2)nc(C)c1CC(=O)NC1CCCC1 257236757 HDQCHQWWNYWNDK-OAQYLSRUSA-N 434.584 3.643 0 40 IHAB COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(C(C)C)ccc3OC)C2)cc1 408700650 JQRQWMBPTOVJTQ-SFHVURJKSA-N 446.569 3.867 0 40 IHAB COc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCCC2CCCCC2)cc1 408710208 SDDNGGARLWCVLQ-UHFFFAOYSA-N 437.540 3.650 0 40 IHAB CCC(=O)Nc1cc(OC)c(C(=O)OCC(=O)c2ccc(OC(C)=O)cc2)cc1Cl 409178197 JLUPXODUHQODDL-UHFFFAOYSA-N 433.844 3.662 0 40 IHAB COc1cc(C)c(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc1C 409199107 BLALTUKUQMOXAQ-ODLFYWEKSA-N 426.494 3.996 0 40 IHAB CCCN1C(=O)S/C(=C/c2cc(Br)ccc2OCC(=O)OCC)C1=O 409233437 KLAJRAZGRWYBOD-NTEUORMPSA-N 428.304 3.837 0 40 IHAB CCN1CCN(C(=S)c2ccc(OCC(=O)Nc3cccc(Cl)c3C)cc2)CC1 409248299 PIRKFSTVJKJFLP-UHFFFAOYSA-N 431.989 3.979 0 40 IHAB CCn1c(SCC(=O)NCc2ccccc2)nnc1-c1cc(Br)ccc1O 409411358 GYRAONDXOOZBBW-UHFFFAOYSA-N 447.358 3.842 0 40 IHAB CNC(=O)c1cc(C)nc(C2(C)CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)n1 585261789 KIEGZGOFNXGMQI-UHFFFAOYSA-N 442.563 3.857 0 40 IHAB O=C(Cc1noc2ccccc12)N1CCOCCOc2ccccc2Oc2ncccc2C1 643573986 VPNHILIKDWRJFD-UHFFFAOYSA-N 445.475 3.995 0 40 IHAB COC(=O)c1cc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3F)C2)cc(F)c1Cl 1289696321 NJTFFFINAIPZBZ-VIFPVBQESA-N 426.778 3.536 0 40 IHAB Cc1cnc(Nc2cccc([C@H]3CN(S(=O)(=O)c4ccc(F)c(C)c4)CCO3)n2)s1 2037834590 SZWLOQYUKUALAH-GOSISDBHSA-N 448.545 3.800 0 40 IHAB Cc1nc2ccccc2n1[C@H]1C[C@H]2CN(C3CCOCC3)C[C@H]2C[C@@H]1Oc1cnccn1 2332242834 ULKCGSIYSBSLOO-PLWWPAAYSA-N 433.556 3.644 0 40 IHAB O=C(Nc1ccc2c(c1)OCCO2)c1cccc(C(=O)Nc2ccc3c(c2)OCCO3)c1 671996 GBPSNGYZLNXBNX-UHFFFAOYSA-N 432.432 3.734 0 40 IHAB COc1ccc(OC)c(/C=C2\N=C(c3ccc(I)cc3)OC2=O)c1 725785 ZNEVIQLWGZXSRX-GDNBJRDFSA-N 435.217 3.653 0 40 IHAB COc1ccccc1NC(=O)c1sc2ncn([C@@H](C)C(=O)OC(C)C)c(=O)c2c1C 791236 XTAJMAZGUAYSHC-ZDUSSCGKSA-N 429.498 3.540 0 40 IHAB O=C(NC1CCCC1)[C@@H](c1ccncc1)N(C(=O)c1ccco1)c1ccc2c(c1)OCO2 1379999 DWKCAXKJASVQCC-JOCHJYFZSA-N 433.464 3.850 0 40 IHAB Cc1cccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C)c(C)c3)c(N)n2)c1 2693368 XFGGJBLBYVPMAG-UHFFFAOYSA-N 442.566 3.548 0 40 IHAB CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)NN2[C@@H](C)CCC[C@@H]2C)c1 3351868 WQNVDSSCSKTUNE-IRXDYDNUSA-N 432.542 3.761 0 40 IHAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc2nc(SC)sc2c1 3412918 XQABGOHZPCZNQF-QGZVFWFLSA-N 447.607 3.733 0 40 IHAB CC(C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1ccccc1 3765128 ARHSAMZKKXPMIN-QHCPKHFHSA-N 429.520 3.805 0 40 IHAB Cc1cc(C)cc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CCCC[C@H]3C(=O)O)cc2)c1 6029242 BADFKMASZGUKLB-VQTJNVASSA-N 430.526 3.934 0 40 IHAB Cc1ccc2[nH]c(=O)c(CN(CCCN(C)C)C(=S)NCCc3ccccc3)cc2c1 6408077 QWKNZOOQCBSJMP-UHFFFAOYSA-N 436.625 3.707 0 40 IHAB COc1ccc(NC(=O)N(CCCN(C)C)Cc2cc3cc(OC)ccc3[nH]c2=O)cc1 8582852 JXIMEEBADSAJND-UHFFFAOYSA-N 438.528 3.531 0 40 IHAB COc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(N4CCCC4)nn3)c2)c(OC)c1 8610061 IBRQKWMQNVYDPO-UHFFFAOYSA-N 440.525 3.562 0 40 IHAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCn1nc(-c2cccs2)ccc1=O 8954872 YDBRHAAWFUGLQD-LBPRGKRZSA-N 438.336 3.862 0 40 IHAB CCN(CC)CCCNC(=O)CN1C(=O)c2ccccc2[C@H]1c1c(C)n(C)c2ccccc12 9095118 JXUXWNFJMAJENL-SANMLTNESA-N 446.595 3.880 0 40 IHAB CCc1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@H](C(=O)Nc1cccc(OC)c1)S2 9198059 PKDJUGJAEZEFDX-ZWKOTPCHSA-N 429.933 3.900 0 40 IHAB CC(=O)c1cccc(NC(=O)CSc2nc(-c3cc(Br)ccc3O)n[nH]2)c1 9227715 PMSPPQZIZLXEJM-UHFFFAOYSA-N 447.314 3.873 0 40 IHAB Cc1cc(=O)n2c(n1)NC(N1CCN(c3cccc(Cl)c3)CC1)=N[C@H]2[C@@H]1CC=CCC1 9265073 MJMOEVWXINZNSO-DYESRHJHSA-N 438.963 3.664 0 40 IHAB Cc1nc(S[C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c2ccccc2n1 9496924 UVAQTCFWUHZSIT-OAHLLOKOSA-N 433.537 3.855 0 40 IHAB Cc1cc(N2CCN(C(=O)c3ccc(Cl)cc3N3CCCC3=O)CC2)nc(C(C)C)n1 9499354 NSMDVUYESCDXAB-UHFFFAOYSA-N 441.963 3.651 0 40 IHAB O=C(CSc1nc2ccccc2n1-c1ccccc1)N1CCN(C(=O)c2ccco2)CC1 9511855 LDMOWVKFRXSQJR-UHFFFAOYSA-N 446.532 3.695 0 40 IHAB COc1cc(-c2cc(C(=O)N[C@H]3CCSC3=O)c3ccccc3n2)cc(OC)c1OC 9703464 SHBQADUQPGWUJB-KRWDZBQOSA-N 438.505 3.690 0 40 IHAB COc1ccc(-n2nnnc2SCC(=O)N2CC[C@H](C)Sc3ccccc32)cc1 9728770 RXLNXKYCUHTFRS-AWEZNQCLSA-N 427.555 3.681 0 40 IHAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1cn(Cc2ccccc2)c2ccccc12 9899421 QDIMITKTNRGLLP-UHFFFAOYSA-N 447.560 3.870 0 40 IHAB Cn1cc(OCc2ccccc2)c(=O)cc1C(=O)N1CCN(c2ccc(Cl)cc2)CC1 12069862 ZMBSYYIHUUHQOO-UHFFFAOYSA-N 437.927 3.580 0 40 IHAB CCCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3ccc(C)c(Cl)c3)ccc21 12180459 XNUQOSPUVRHJLF-UHFFFAOYSA-N 442.990 3.942 0 40 IHAB CCn1cc(S(=O)(=O)N2CCCCC[C@H]2c2cc(-c3ccc4c(c3)OCO4)on2)cn1 12187892 QKZUDBZZKLWHRH-SFHVURJKSA-N 444.513 3.593 0 40 IHAB CC(C)N1CCC(N(C)C(=O)c2cc(-c3ccccn3)c(N3CCOCC3)s2)CC1 12220202 VSYWZYIIWFHOCD-UHFFFAOYSA-N 428.602 3.592 0 40 IHAB CC(C)[C@@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)CCn1ncc2ccccc21 12220312 IZHOBOYYNIWCPJ-LJQANCHMSA-N 435.553 3.553 0 40 IHAB COc1ccc(CC(=O)N2CC[C@H](c3cc4nc(C)cc(C(F)(F)F)n4n3)C2)cc1OC 12257889 GNCYYGNBYRPCRD-HNNXBMFYSA-N 448.445 3.632 0 40 IHAB CCCCNS(=O)(=O)c1ccc2[nH]c(SCC(=O)c3ccccc3OC)nc2c1 12487890 ZGRNSWZOQZJYQA-UHFFFAOYSA-N 433.555 3.625 0 40 IHAB CCn1c(SCC(=O)N2CCCc3ccccc32)nnc1[C@H](C)NC(=O)c1ccccc1 12851421 ZXXZSPHRELVSBR-KRWDZBQOSA-N 449.580 3.861 0 40 IHAB O=S(=O)(c1ccc(F)c(Cl)c1)N1CCN(Cc2nc3ccccc3s2)CC1 12974181 FAGCGLNBCNOZNK-UHFFFAOYSA-N 425.938 3.595 0 40 IHAB CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2nc3ccc(F)cc3s2)cc1 14249331 XABRBXPDLAOHCH-UHFFFAOYSA-N 449.529 3.677 0 40 IHAB O=C(Nc1cccc(N2CCCC2=O)c1)c1cccc(NS(=O)(=O)c2ccccc2)c1 15176611 UEHNAACNWKGSAC-UHFFFAOYSA-N 435.505 3.867 0 40 IHAB CC(C)C[C@H]1N=C2c3ccccc3N=C(SCC(=O)NCCc3ccccc3)N2C1=O 15783423 AAZGNEPMFRNKNJ-HXUWFJFHSA-N 434.565 3.783 0 40 IHAB O=C(Cn1nc(Cn2nnc3ccccc32)n(-c2ccccc2)c1=S)NC1CCCCC1 16769502 FSDMDSPBTOOVBG-UHFFFAOYSA-N 447.568 3.645 0 40 IHAB COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(I)cc1 17094718 UODWRVBXBQFHCC-UHFFFAOYSA-N 426.279 3.735 0 40 IHAB CC(C)COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C)CC3)cc2)cc1 17095088 OQOHUTHLXGLCJC-UHFFFAOYSA-N 426.586 3.600 0 40 IHAB O=C(COc1ccc(F)cc1)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1 17191208 AMOMIWMIMCITFF-UHFFFAOYSA-N 440.496 3.985 0 40 IHAB C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CSCc2ccc(Cl)cc2)C1=O 18197831 QNOYKNVQTIUMJU-OAQYLSRUSA-N 431.945 3.548 0 40 IHAB O=C(NCc1ccc(-c2ccnc3nc(C(F)(F)F)nn23)cc1)c1cc(C2CC2)on1 19334632 YLIWNCCTYGUORZ-UHFFFAOYSA-N 428.374 3.606 0 40 IHAB CC(C)NC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)c2ccc(N)nc2)C1 19449380 WKWADVBYVVKUTI-HHHXNRCGSA-N 442.563 3.930 0 40 IHAB CCN1CCN(C(=O)COc2ccccc2)C[C@@H](Cc2cccc(-c3cccnc3)c2)C1=O 19527542 IXXPJJRXIJINEK-XMMPIXPASA-N 443.547 3.677 0 40 IHAB CN(C)C(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCCN(C(=O)Cc2cccnc2)C1 19579192 QJVRSPLFQDZPCK-HHHXNRCGSA-N 442.563 3.626 0 40 IHAB Cc1ccc(C)c([C@@H]2CCCN2C(=O)c2ccc(=O)n(CC(=O)Nc3nccs3)c2)c1 19749280 HLFNMGWOJQIRTR-IBGZPJMESA-N 436.537 3.538 0 40 IHAB Cc1ccc(C(C)(C)C(=O)N2CCC(c3ccc(C(=O)NC[C@@H]4CCCO4)cn3)CC2)cc1 19754802 ZGSBXRLCGXSDLP-QHCPKHFHSA-N 449.595 3.983 0 40 IHAB CNc1cc(CN(C)C(C)=O)nc([C@H]2CCCN2Cc2c(C)n(C)c3cc(C)ccc23)n1 19760566 GUWXEGPNWWGZQL-JOCHJYFZSA-N 434.588 3.942 0 40 IHAB CCOC(=O)[C@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@@H]1c1sccc1C 19818563 CYCFMHGXUBTEHK-MSOLQXFVSA-N 427.526 3.558 0 40 IHAB COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(F)cc3)C2)cc1Cl 19862747 SIYWJVLHVKPARF-OAHLLOKOSA-N 440.924 3.668 0 40 IHAB COc1ccccc1-n1cnc2c(sc3nc(N4CCOCC4)c4c(c32)CCCC4)c1=O 20029362 UYIANTHTFQIRBM-UHFFFAOYSA-N 448.548 3.719 0 40 IHAB O=C(CCC(=O)N1CCN(C2CCCCC2)CC1)Nc1nnc(C2CCCCC2)s1 20390980 VLKLPXZUUGXXOK-UHFFFAOYSA-N 433.622 3.781 0 40 IHAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CSCc1ccccc1Cl 20485291 OWCZKDMMUWLYFI-UHFFFAOYSA-N 442.990 3.907 0 40 IHAB COc1ccc2c(c1)c1nnc(SCCN3CCOCC3)nc1n2CCc1ccccc1 20592051 YRXAFHNIFVPYRK-UHFFFAOYSA-N 449.580 3.655 0 40 IHAB COc1ccc(-c2noc(-c3cccn(CC(=O)Nc4ccc(C)cc4)c3=O)n2)cc1OC 23125865 VHXLINUTHNJYSQ-UHFFFAOYSA-N 446.463 3.530 0 40 IHAB O=C(NC1CCCCCC1)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 23866005 GHBYXRZWZRTUNK-QFIPXVFZSA-N 430.545 3.780 0 40 IHAB CCCCNS(=O)(=O)c1cccc(NC(=O)c2cnn(-c3ccccc3F)c2C)c1 25866805 NBRAJOXAPDKTMR-UHFFFAOYSA-N 430.505 3.651 0 40 IHAB Cc1cccc(-n2c(SCC(=O)NC[C@@H]3CCCO3)nc3sc(C)c(C)c3c2=O)c1 28831555 FMQXILCQGLXCLN-KRWDZBQOSA-N 443.594 3.760 0 40 IHAB CCN(Cc1ccc(OC)c(F)c1)C(=O)c1sc2nc(CSC)[nH]c(=O)c2c1C 28973499 ZVAUVMQPDVQICW-UHFFFAOYSA-N 435.546 3.966 0 40 IHAB O=C(CC[C@H]1Cc2ccccc2NC1=O)NCCNc1ncc(C(F)(F)F)cc1Cl 29148198 WPWZRFQHXVGFQT-ZDUSSCGKSA-N 440.853 3.873 0 40 IHAB O=C(Cc1c(Cl)cccc1Cl)NCc1ccc(S(=O)(=O)N2CCCC2)s1 29156769 XPQYCEDEBGCEBN-UHFFFAOYSA-N 433.382 3.698 0 40 IHAB CS(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCCC2)c(Cl)c1 30856185 RJWWDPHZFOEGAF-UHFFFAOYSA-N 449.960 3.980 0 40 IHAB Cc1cccc(CCCNC(=O)[C@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)c1 30861731 FKLVWBYCPSECJK-DEOSSOPVSA-N 442.625 3.718 0 40 IHAB O=C(Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)c1ccc2c(c1)CCO2 32795964 IIKCFYWKBGDFCV-UHFFFAOYSA-N 430.432 3.953 0 40 IHAB Cc1ccc(OCC(=O)Nc2ccccc2OCc2cc(=O)n3ccc(C)cc3n2)cc1 33067981 MQSUMICUIGTWLW-UHFFFAOYSA-N 429.476 3.908 0 40 IHAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1Cl 33475974 SBESVYXRJIWESS-VIFPVBQESA-N 437.732 3.961 0 40 IHAB Cc1cc(O)nc(-n2nc(-c3ccccc3)cc2NC(=O)Nc2ccc3c(c2)OCO3)n1 44389085 JNUHIXVJDOWOGL-UHFFFAOYSA-N 430.424 3.716 0 40 IHAB Cc1cccc(CN2CCc3nc(C)n(CC(=O)Nc4ccc(C)cc4F)c(=O)c3C2)c1 49400944 YEOKKEFQPKJYHK-UHFFFAOYSA-N 434.515 3.505 0 40 IHAB CCOCCCNc1nc(-c2ccncc2)nc2c1CN(Cc1ccc(OC)cc1)CC2 57743677 FDHYJFKYWPNPEX-UHFFFAOYSA-N 433.556 3.944 0 40 IHAB O=C(Cn1nc2c(cc1=O)CCCCC2)Nc1nc2ccc(OC(F)(F)F)cc2s1 71282665 ATHISIDYELEGFZ-UHFFFAOYSA-N 438.431 3.659 0 40 IHAB Cc1cc(C(F)(F)F)n2nc(C(=O)N3CCN(Cc4ccco4)C[C@@H]3C(C)C)cc2n1 72324114 SYHSVYOPLOLIMQ-QGZVFWFLSA-N 435.450 3.632 0 40 IHAB CCOc1ncc([C@]2(O)CCC[C@@H]3CN(Cc4ccc(F)cc4F)C[C@@H]32)c(OCC)n1 72343032 BRZGWDBIKWMXMV-BIFSNJIPSA-N 433.499 3.672 0 40 IHAB CNC(=O)c1sc2ccccc2c1[C@@H]1CCN(S(=O)(=O)c2cn(C(C)C)nc2C)C1 72352273 BHWJMPOBPXZNSS-OAHLLOKOSA-N 446.598 3.525 0 40 IHAB NC(=O)c1sc2ccccc2c1C[C@@H]1CCCCN1C(=O)CCCNc1ncccn1 72370493 IKPJWFSCBVYBKR-INIZCTEOSA-N 437.569 3.606 0 40 IHAB CNc1cc([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc(CN(C)Cc2cccc(C)c2)n1 72391870 ZVHDWIVPFVYVPX-JOCHJYFZSA-N 429.568 3.975 0 40 IHAB Cc1cc(OCC(=O)NC[C@@H]2CCCN3CCCC[C@H]23)c2c3c(c(=O)oc2c1)CCCC3 79189590 QUWYZSAOZTZYLN-GHTZIAJQSA-N 438.568 3.740 0 40 IHAB biogenic COc1cc2c3cnn(CN4CCC(Cc5ccccc5)CC4)c(=O)c3n(C)c2cc1OC 79489603 ASTODWZRVDPZBQ-UHFFFAOYSA-N 446.551 3.818 0 40 IHAB Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2=O)c2nc3n(c2n1)CCCCC3 89582791 FXPDAMDGPZYQGH-SFHVURJKSA-N 437.931 3.655 0 40 IHAB O=C(OC[C@H]1CC(=O)N(Cc2ccccc2)C1)C1CCN(c2ccc(Cl)cn2)CC1 89834862 LRMPLLZZCRJBPP-SFHVURJKSA-N 427.932 3.543 0 40 IHAB CC(C)[C@H](O)C1(CNC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)CC1 95463274 OZLLYWAZUMVJOK-YJBOKZPZSA-N 427.372 3.759 0 40 IHAB Cc1cc(C)nc(NCc2cccc(C(=O)N[C@@H](C)c3ccc4c(c3)NC(=O)CO4)c2)n1 95467413 JWXXUQOTCLTMHB-INIZCTEOSA-N 431.496 3.527 0 40 IHAB O=C(Nc1ccccc1Cl)N1CC[C@@H]2CN(CCc3ccccc3)S(=O)(=O)[C@@H]2CC1 96145479 YXQQPBBTTQVQTK-WIYYLYMNSA-N 447.988 3.841 0 40 IHAB COc1cccc(/C=C2/SC(=O)N(CC(=O)O)C2=O)c1OC(=O)c1ccccc1Cl 98086387 QVWQIIDCTWXHPS-OQLLNIDSSA-N 447.852 3.689 0 40 IHAB COc1ccc(OC)c([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)c1 102736654 QODSFRKLSWYKOD-RBZQAINGSA-N 444.487 3.751 0 40 IHAB C[C@@H](c1ccccc1)N1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccc(F)cc3)cc2C1=O 111880031 ZTESNGCQVIOFDN-HNNXBMFYSA-N 446.434 3.978 0 40 IHAB CS(=O)(=O)N(CCCC(=O)N1CCc2ccccc2C1)c1cccc(C(F)(F)F)c1 222624557 GOUWFJGKXFTKAD-UHFFFAOYSA-N 440.487 3.837 0 40 IHAB COc1cccc(CN(C)C(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)c1 224495146 JXHNDXJOGHFDRV-UHFFFAOYSA-N 430.551 3.854 0 40 IHAB CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc2c(c1)OCCO2 225572247 MWENGBPQHUKNBQ-QGZVFWFLSA-N 444.959 3.986 0 40 IHAB CCn1c(=O)sc2cc(S(=O)(=O)NCCSCc3cccc(Cl)c3)ccc21 225688089 HMLIAIOPGKYLLW-UHFFFAOYSA-N 443.015 3.948 0 40 IHAB CC[C@H](NC(=O)[C@H]1CN(S(C)(=O)=O)c2ccc(C)cc2O1)c1ccc2c(c1)CCCC2 260932741 MSKFXMYKZKAOCT-NZQKXSOJSA-N 442.581 3.668 0 40 IHAB COc1cccc(OC)c1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 408576412 UMUWTEDKZIHSGI-UHFFFAOYSA-N 430.457 3.896 0 40 IHAB COc1ccc(NC(=O)COC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)c2ccccc2)c(OC)c1 408649463 DNJZGZDHTVIURG-ODYPEACGSA-N 437.492 3.731 0 40 IHAB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1)Nc1ccc(Cl)cc1 408654291 GDPPVCSIDNRHLV-RTBURBONSA-N 440.883 3.815 0 40 IHAB Cc1cccc(CSCCNC(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 409411990 PBQCKSPGSLHGMZ-IBGZPJMESA-N 434.627 3.816 0 40 IHAB Cc1cc(Br)c(C(=O)Nc2cccc([C@]3(C)NC(=O)NC3=O)c2)cc1Cl 561056586 SMCFXXGUSFVTTA-SFHVURJKSA-N 436.693 3.718 0 40 IHAB Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N2CCN(C[C@H]3CCCO3)CC2)cc1 612753349 RKMDAHGUFNLMDS-XMMPIXPASA-N 444.579 3.844 0 40 IHAB Cc1ccc(C(=O)N2CCC([C@H]3C(=O)Nc4ccc(C(=O)NC5CCCC5)cc43)CC2)o1 2055771669 PUBIGSFZWBQDCK-JOCHJYFZSA-N 435.524 3.849 0 40 IHAB CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCC(=O)Nc1ccccc1Cl 687333 BVVUNQKEAAIBGH-UHFFFAOYSA-N 443.960 3.921 0 40 IHAB O=C(Nc1ccc(F)cc1)N(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C[C@@H]1CCCO1 1342374 RNULTGRTXQQDSM-SFHVURJKSA-N 439.443 3.609 0 40 IHAB O=C(c1ccc(Cl)cc1Cl)N1CCOC12CCN(c1ccc(Cl)nn1)CC2 1396789 RKMHUXFKKMHJKM-UHFFFAOYSA-N 427.719 3.906 0 40 IHAB Cc1cc(C)c(C(=O)COC(=O)[C@@H](NS(=O)(=O)/C=C/c2ccccc2)C(C)C)cc1C 3355782 GBICXYKPBAQIMG-RGPPVUSESA-N 443.565 3.953 0 40 IHAB O=C([C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1F)N1CCc2ccccc21 3432479 MBFJCRFHNRTGRD-JOCHJYFZSA-N 436.508 3.531 0 40 IHAB CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nncs2)cc1OC 3655688 DNAZUSBZNUSBLP-GOSISDBHSA-N 435.461 3.802 0 40 IHAB COC(=O)c1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2ccncc2)cc1 8606661 MJEASRWGDWRNOW-HSZRJFAPSA-N 440.459 3.709 0 40 IHAB CCCC[C@@H](NC(=O)Cc1c(C)c2c(OC)cc3c(c2oc1=O)CCC(C)(C)O3)C(=O)O 8765111 ODDQNGJUGWYGSP-MRXNPFEDSA-N 445.512 3.516 0 40 IHAB biogenic Cc1ccc(OCC(=O)Nc2sc3c(c2C(=O)NC[C@@H]2CCCO2)CCCC3)cc1 8779060 QMDIPDKSNWCMLR-KRWDZBQOSA-N 428.554 3.862 0 40 IHAB O=C(Cc1csc(SCC(=O)Nc2ccc(F)cc2)n1)NCCc1ccccc1 8851919 PXVDDGVEGSHJCV-UHFFFAOYSA-N 429.542 3.914 0 40 IHAB CN(C)C(=O)c1ccc(NC(=O)COC(=O)c2ccc(OCc3ccccc3)cc2)cc1 8952562 MPTLEYQGRFFTLQ-UHFFFAOYSA-N 432.476 3.763 0 40 IHAB Cc1ccccc1N(CC(=O)NCCc1ccccc1)C(=O)CCC(=O)Nc1ccccn1 8994641 UFTQSZGIFLATOM-UHFFFAOYSA-N 444.535 3.501 0 40 IHAB Cc1ccc(Nc2nc(N)nc(CN3CCN(c4ccc(F)cc4)CC3)n2)cc1Cl 9013804 MAWZOZZQSTZBNS-UHFFFAOYSA-N 427.915 3.621 0 40 IHAB COc1ccc(-c2nnc(NC(=O)c3ccc(NC(=O)c4ccccc4O)cc3)o2)cc1 9062237 WPLPUQWHXYMKQL-UHFFFAOYSA-N 430.420 3.955 0 40 IHAB Cc1cccc(CN2CCC(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)c1 9063070 UYXGHJCFEDJGMP-UHFFFAOYSA-N 441.597 3.630 0 40 IHAB O=C(COc1ccccc1)NCC(=O)Nc1ccc(Sc2nc3ccccc3[nH]2)cc1 9127903 BMFDPGZVMRKHTI-UHFFFAOYSA-N 432.505 3.848 0 40 IHAB O=C(CNc1cccc(S(=O)(=O)N2CCCCC2)c1)Nc1ccc(F)cc1Cl 9220574 JWQMXUGSDAJDQK-UHFFFAOYSA-N 425.913 3.704 0 40 IHAB Cn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1nnc(C2CC2)s1 9302912 VDMWJGQXVKWHBR-UHFFFAOYSA-N 436.950 3.507 0 40 IHAB Cc1ccc(-c2nnc3ccc(SCC(=O)N4CCN(c5ccccc5)CC4)nn23)cc1 9382959 JASLIEAXHASNOB-UHFFFAOYSA-N 444.564 3.541 0 40 IHAB COc1ccc(-c2nnc3ccc(SCC(=O)NCc4ccccc4Cl)nn23)cc1 9415208 VJGSCSVBMJBTJC-UHFFFAOYSA-N 439.928 3.862 0 40 IHAB Cc1ccccc1Cn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2cccc(Cl)c2)n(C)c1=O 9519248 MVAWVWOFXLSFQD-HNNXBMFYSA-N 449.942 3.695 0 40 IHAB COc1ccc(NC(=O)COc2ccccc2Cl)cc1S(=O)(=O)N1CCCCC1 9631801 IZPLYUBFFNVZAH-UHFFFAOYSA-N 438.933 3.541 0 40 IHAB Cc1cc(=O)c(C(=O)NCc2ccccc2CN2CCCCC2)nn1-c1ccccc1F 9647139 YARWINMBWWKRHX-UHFFFAOYSA-N 434.515 3.596 0 40 IHAB COc1cc(C(=O)NCCSc2ncc(-c3ccc(C)cc3)[nH]2)cc(OC)c1OC 9713637 UVSLZRBQXFQLSD-UHFFFAOYSA-N 427.526 3.933 0 40 IHAB O=C(Nc1ccc(F)c(F)c1)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 10009393 PQLCYYXATZJRBX-OAQYLSRUSA-N 444.459 3.701 0 40 IHAB CNC(=O)NC(=O)[C@H](C)Sc1nnc(-c2ccc(OC)cc2)n1[C@H]1CCCC[C@H]1C 11537924 UAFLYXVJAQWPBE-KEYYUXOJSA-N 431.562 3.641 0 40 IHAB COc1ccc(CC(=O)NCCn2ncc(-c3cc(C)no3)c2-c2ccc(C)nc2)cc1 12223177 NCQOIZPKTYSREH-UHFFFAOYSA-N 431.496 3.584 0 40 IHAB Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1 12539860 VIDXLHKQKXFMLI-UHFFFAOYSA-N 444.944 3.504 0 40 IHAB O=C(c1cc2c(s1)-c1ccccc1CC2)N1CCN(S(=O)(=O)c2ccccc2)CC1 12566969 JPCQZSNMVDQOKP-UHFFFAOYSA-N 438.574 3.660 0 40 IHAB CS(=O)(=O)c1ccc(C(=O)CSc2nnc(COc3ccccc3Cl)o2)cc1 12615507 IRZLJXAGXCJPCI-UHFFFAOYSA-N 438.914 3.681 0 40 IHAB COc1cccc(N(C(=O)c2csnn2)[C@@H](C(=O)NC(C)(C)C)c2cccs2)c1 12637728 DSIJEPVILOCUTN-QGZVFWFLSA-N 430.555 3.911 0 40 IHAB O=C(COc1cccc(Cl)c1)Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2 12766037 ZURNHOKUJAZUKW-UHFFFAOYSA-N 434.945 3.770 0 40 IHAB C[C@@H](Oc1ccccc1)c1nc2ccccc2n1C[C@@H](O)CN1C(=O)c2ccccc2C1=O 12800548 FRGRJQVDPGDRSM-QZTJIDSGSA-N 441.487 3.833 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(NC(=O)C3(c4cccc(Cl)c4)CC3)CC2)cc1 12852913 JWZZQVJFNWLMEB-UHFFFAOYSA-N 432.973 3.650 0 40 IHAB Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(=O)Nc3ccccc3C(N)=O)ccc12 12888068 FGFYSLCIRKEBMK-UHFFFAOYSA-N 442.471 3.809 0 40 IHAB biogenic CCCOc1ccc(/C=c2\sc3nc(-c4ccc(F)cc4)nn3c2=O)cc1OCC 13750300 DGWSZYNSISXSGR-UYRXBGFRSA-N 425.485 3.692 0 40 IHAB Cc1cc(Br)ccc1NC(=O)CN(C)[C@H](C(=O)NC1CC1)c1ccccc1 14085338 NCPLYVJIYVPDFL-FQEVSTJZSA-N 430.346 3.648 0 40 IHAB COc1ccc(C)cc1N1C[C@H](C(=O)NCc2ccc(CN3CCCCC3)cc2)CC1=O 14254523 IIJDYTMBDUINCZ-JOCHJYFZSA-N 435.568 3.659 0 40 IHAB Cc1ccc(C)c(C(=O)[C@H](C)OC(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)c1 15613980 LPVFWGDNQAMBAP-IIOOSLMMSA-N 428.529 3.555 0 40 IHAB OCc1ccc(CN2Cc3nc[nH]c3C[C@H]2c2nc(-c3ccc(C(F)(F)F)cc3)no2)o1 15675536 OVKOCDQYJQVGMV-SFHVURJKSA-N 445.401 3.863 0 40 IHAB biogenic,in-vitro Cc1ccccc1OCCN(C)C(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 16147036 NPQQIUBVKHAIBZ-UHFFFAOYSA-N 430.570 3.629 0 40 IHAB COc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(F)cc2)cc1 16598127 KKPPRMZCBQPQIH-QFIPXVFZSA-N 440.496 3.589 0 40 IHAB O=C(OCC(=O)N(Cc1ccccc1)c1nc2c(s1)CCCC2)c1ccc(O)cc1O 19010402 LLACOHMIYJNYQF-UHFFFAOYSA-N 438.505 3.823 0 40 IHAB Cc1nc(C)c(C(=O)N2CCC[C@@H]2c2nc(C)c3c(n2)N(Cc2ccccc2)C(=O)CC3)o1 19741189 JNBURWBHMNPDNP-HXUWFJFHSA-N 445.523 3.847 0 40 IHAB COC(=O)c1nc2n(n1)[C@H](c1cccc(Cl)c1)C(C(=O)OC1CCCCC1)=C(C)N2 20117109 JYUMMFTUIWAPFT-QGZVFWFLSA-N 430.892 3.883 0 40 IHAB COc1cc(CNC(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)ccc1OC(C)C 22400802 CAIYXBBELHBOFX-UHFFFAOYSA-N 448.585 3.688 0 40 IHAB O=C(Cc1ccc(F)cc1)N(CCCN1CCOCC1)c1nc2ccc(F)cc2s1 22997756 ISDYZZRGDSWDBB-UHFFFAOYSA-N 431.508 3.873 0 40 IHAB CCCC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)C2CCN(C(=O)C(C)(C)C)CC2)cc1 23266449 LTLWFIFFYDVNEJ-INIZCTEOSA-N 430.545 3.824 0 40 IHAB Cc1cc2oc(=O)cc(Cn3ncc(Br)c(Br)c3=O)c2cc1C 23558244 PNMSPOQKBNTULY-UHFFFAOYSA-N 440.091 3.540 0 40 IHAB CCOc1ccc([C@H]2CCCN2CC(=O)NCC(=O)Nc2cccc(Cl)c2C)cc1 24216577 FXGSWWODJYUMEA-OAQYLSRUSA-N 429.948 3.939 0 40 IHAB O=C(Nc1c(F)cccc1F)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 24610696 XCLUYIQLJLYWNM-UHFFFAOYSA-N 428.888 3.799 0 40 IHAB O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCc1ccc(Cl)cc1 28943305 CSISVYCCCCTEKJ-UHFFFAOYSA-N 432.904 3.991 0 40 IHAB Cc1ccc(NC(=O)CSc2nnc(CC(=O)Nc3ccc(C)c(C)c3)n2C)c(F)c1 32579602 LYWGBEYTWGWXSB-UHFFFAOYSA-N 441.532 3.791 0 40 IHAB CCOc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)cc1 32774500 XGRHHMBGGRZFSR-INIZCTEOSA-N 449.507 3.706 0 40 IHAB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1sccc1S(=O)(=O)N1CCOCC1 32847829 CYOLZJRJKGZSTD-UHFFFAOYSA-N 440.546 3.593 0 40 IHAB O=C1C[C@@H](C(=O)N(Cc2c(F)cccc2Cl)C2CC2)CN1c1ccc2c(c1)OCCO2 32880010 RUDBBALURZEVMI-CQSZACIVSA-N 444.890 3.794 0 40 IHAB O=C1CCc2cc(OC(=O)CCCN3C(=O)c4cccc5cccc(c45)C3=O)ccc2N1 32894277 QYMJBDLLEIAAKO-UHFFFAOYSA-N 428.444 3.706 0 40 IHAB CCc1ccc(S(=O)(=O)NC[C@H](c2ccccc2)S(=O)(=O)c2cccs2)cc1 33326412 ITVLJMDVOJANTD-LJQANCHMSA-N 435.592 3.804 0 40 IHAB CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C[C@@H]([C@H]5C(c6ccccc6Cl)=NO[C@H]45)[C@H]3C2=O)cc1 33821741 OCLBEOGWDVALDN-ZAERQUEXSA-N 434.879 3.717 0 40 IHAB Cc1ccccc1Oc1nc2ccccc2n2c(=O)n(CC(=O)Nc3ccccc3)nc12 35424675 IELBKFSMICZSQY-UHFFFAOYSA-N 425.448 3.784 0 40 IHAB O=C(Cn1nc(N2CCSCC2)c2ccccc2c1=O)Nc1cccc(C(F)(F)F)c1 49007252 DQZHISCHKYNQHI-UHFFFAOYSA-N 448.470 3.607 0 40 IHAB Cc1nnc2c(S(=O)(=O)N(Cc3ccc(F)cc3)c3ccc(F)c(F)c3)cccn12 49405186 RGXCZWMIZLFZGD-UHFFFAOYSA-N 432.427 3.851 0 40 IHAB Cc1ccc(-n2cc(C(=O)N3CCC(NC(=O)c4ccc5ccccc5c4)CC3)nn2)cc1 49405924 ZWQFQOOJCWBTSK-UHFFFAOYSA-N 439.519 3.764 0 40 IHAB COC(=O)c1ccc(N2CCOCC2)c(NC(=S)NC(=O)c2cccc3ccccc23)c1 57327975 PDXNFUGEGNPEOT-UHFFFAOYSA-N 449.532 3.590 0 40 IHAB O=C(Cn1cc(Br)ccc1=O)N1CCC(c2nc3ccccc3s2)CC1 58377830 DTWVLVKAPFOWLK-UHFFFAOYSA-N 432.343 3.627 0 40 IHAB O=C(Nc1cccc(Cn2nc3ccccn3c2=O)c1)c1cc(-c2ccc(Cl)cc2)n[nH]1 58912238 OTAXPVDJYXGWQW-UHFFFAOYSA-N 444.882 3.840 0 40 IHAB CCS(=O)(=O)c1ccccc1C(=O)NCc1ccc(CN2C[C@H](C)C[C@@H](C)C2)cc1 59057582 AJDUPXGDEZQTMY-RTBURBONSA-N 428.598 3.888 0 40 IHAB Cc1ccc(NC(=O)CN(c2ccc(Br)c(C)c2)S(C)(=O)=O)c(C)c1 60512516 BFDUUUOGQCIRDW-UHFFFAOYSA-N 425.348 3.779 0 40 IHAB COc1ccc([C@H](C)NC(=O)CCn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)cc1 67261154 HQSINAIMUPPVME-INIZCTEOSA-N 434.471 3.578 0 40 IHAB O=C(O)[C@@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1ccc(C(F)(F)F)cc1 71980650 MPSDCJOHIZIUPJ-IBGZPJMESA-N 448.441 3.623 0 40 IHAB CN(Cc1nc2ccccc2s1)C(=O)c1cccc(S(=O)(=O)CC(F)(F)F)c1 72273491 SEWJDGKEIKAKLD-UHFFFAOYSA-N 428.457 3.905 0 40 IHAB COc1cc(C(=O)NCCN2C(=O)S/C(=C/c3ccccc3)C2=O)ccc1OC(C)C 78239599 SUAARZIPXSEDGZ-DEDYPNTBSA-N 440.521 3.949 0 40 IHAB COc1ccc(NC(=O)NCCCSc2ccc(F)cc2)cc1NS(C)(=O)=O 78517774 USDQBKJTGWQIOP-UHFFFAOYSA-N 427.523 3.510 0 40 IHAB CCOc1ccccc1NC(=O)N1CCN(c2cc(Nc3ccccn3)nc(C)n2)CC1 90608008 UQRREMLAKKUOAE-UHFFFAOYSA-N 433.516 3.676 0 40 IHAB Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)Nc1cccc(C(=O)N2CCC(O)CC2)c1 95993575 ABFIOVPNVOCARP-BQYQJAHWSA-N 444.963 3.750 0 40 IHAB CS(=O)(=O)C(Br)(Br)[C@@H](O)c1ccc(-c2ccccc2)cc1 96520810 RHTGCJGJFWGVSB-AWEZNQCLSA-N 434.149 3.875 0 40 IHAB O=C(NCCN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O)c1ccc(Cl)cc1F 96911839 ZIBSWDJAIYQQMR-CAOOACKPSA-N 448.859 3.674 0 40 IHAB COC(=O)c1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(F)cc4)[C@H]3C2=O)cc1 100673308 APARKEVXSWZVIP-VSKRKVRLSA-N 446.434 3.663 0 40 IHAB COc1cccc(CNc2cnn(C34C[C@H]5CC(C[C@@H](C5)C3)[C@@H]4C(=O)O)c(=O)c2Cl)c1 101093956 FTODPHNOFJBRRH-ZFBZQRJYSA-N 443.931 3.753 0 40 IHAB COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccc(OC)cc2)cc1 102690852 FBYKKEJUYQCEDB-DNVJHFABSA-N 448.450 3.894 0 40 IHAB CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1 140692538 DDHVVPXLSWKWHR-UHFFFAOYSA-N 438.505 3.676 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)c(Cl)c1 216447329 CDXMHLXUVXMPAI-CQSZACIVSA-N 438.933 3.618 0 40 IHAB CCOc1ccccc1CCCNC(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 219620045 OQEUWPGNWQDNOM-UHFFFAOYSA-N 432.586 3.689 0 40 IHAB CCOc1ccc(CCC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC)cc1OCC 222480888 FKFWONDAWPLESG-IBGZPJMESA-N 426.557 3.888 0 40 IHAB CCCC(=O)N(Cc1ccc(OC)cc1)[C@@H](C)C(=O)NCCc1ccc(OC)c(OC)c1 222981133 VIDVYSKCFPFSBQ-SFHVURJKSA-N 442.556 3.589 0 40 IHAB CC[C@@H](NC(=O)[C@@H](CC)N(c1ccc(F)cc1)S(C)(=O)=O)c1ccc(OC)c(C)c1 223183190 CJBVJSMKZYGRCK-WOJBJXKFSA-N 436.549 3.955 0 40 IHAB CC[C@@H](C(=O)Nc1nnc(-c2ccccc2)s1)N(c1cccc(C)c1)S(C)(=O)=O 223798796 HLAPEMQSZLOHMA-KRWDZBQOSA-N 430.555 3.697 0 40 IHAB COC(=O)c1cc(S(=O)(=O)Nc2cc(C(=O)OC(C)C)ccc2OC)ccc1Cl 223834852 MTWGVHYIZCGIEA-UHFFFAOYSA-N 441.889 3.501 0 40 IHAB Cc1ccc(N(CC(=O)Nc2nnc(SCc3ccccc3)s2)S(C)(=O)=O)cc1 224175973 GVCYHZRZQHIUEK-UHFFFAOYSA-N 448.595 3.544 0 40 IHAB O=C(CCSc1ccccc1)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1 224356402 VVDXWKJUXLTUSY-UHFFFAOYSA-N 448.610 3.539 0 40 IHAB CCOC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224615820 UUDGBGBYWUABGH-UHFFFAOYSA-N 448.324 3.769 0 40 IHAB CC[C@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)COc1ccccc1OC 224941845 QQQFQNGIVKZODK-OAQYLSRUSA-N 426.557 3.696 0 40 IHAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)COc1ccccc1OC 225548082 GKIVQUVZTMUYOU-HSZRJFAPSA-N 446.547 3.769 0 40 IHAB CC(C)n1c(=O)sc2cc(S(=O)(=O)NCCCN3c4ccccc4C[C@@H]3C)ccc21 225717760 VKRFQJZQONNYSE-INIZCTEOSA-N 445.610 3.764 0 40 IHAB Cc1ccccc1[C@@H](NS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1)c1ccccc1 225828285 QSAVJVLGMZSVSE-KRWDZBQOSA-N 444.582 3.899 0 40 IHAB CCOC[C@]1(C(N)=S)[C@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 252515833 NXTBSGNZEXXYDM-LMMKCTJWSA-N 427.950 3.728 0 40 IHAB Cc1cc(-c2cnc(N(C)C)nc2[C@H]2CC[C@H](CNC(=O)CC[C@@H]3CCCO3)CC2)on1 257281268 OOJIYKBUHJSMCW-FHWLQOOXSA-N 441.576 3.855 0 40 IHAB O=C1O[C@]2(CCN(C(=O)C3(Cc4ccccc4)CCOCC3)C2)CN1CCc1ccccc1 257313541 UTBMSLPFZZPINQ-MHZLTWQESA-N 448.563 3.692 0 40 IHAB CC(C)CNC(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1Cl 408560542 DEGPVYKWKJHKAR-UHFFFAOYSA-N 436.961 3.633 0 40 IHAB COC[C@@H](C)NC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(C)cc1 408564259 UHDBVBICMRNGSR-CQSZACIVSA-N 445.368 3.648 0 40 IHAB COc1ccccc1NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 409023129 LEUDFQREGIUMJU-UHFFFAOYSA-N 436.839 3.772 0 40 IHAB Cc1nn(CCNC(=O)[C@@H]2CC(=O)N(c3cccc(F)c3)C2)c(C)c1-c1ccsc1 575612510 GCHQUICCPZKTFU-QGZVFWFLSA-N 426.517 3.537 0 40 IHAB CCC(=O)N1CCN(c2ccccc2OC)C(=O)[C@@H]1Cc1ccccc1-c1ccncc1 585168849 DBLKVXXBDJBPLZ-QHCPKHFHSA-N 429.520 3.954 0 40 IHAB Cc1cc(C)n(CCOc2ccc(CN3C[C@H](O)[C@@H](Oc4cccc(Cl)c4)C3)cc2)n1 585268700 DVZWBTUEABCFMN-ZEQRLZLVSA-N 441.959 3.856 0 40 IHAB O=C(CN1CCCCCCOc2ccccc2Oc2ncccc2C1)N1CCC[C@@H]1CO 643576693 PJESWYOICHMKAV-OAQYLSRUSA-N 439.556 3.612 0 40 IHAB CN(CCc1ccccc1)c1ncc(C(=O)O)c(C2CCN(C(=O)OC(C)(C)C)CC2)n1 2037958352 PWOMTILAXRLBPL-UHFFFAOYSA-N 440.544 3.968 0 40 IHAB COc1ccc(Cc2nnc(SCC(=O)Nc3cccc(C(=O)OC(C)C)c3)o2)cc1 633782 RMMANASMLLCVIM-UHFFFAOYSA-N 441.509 3.965 0 40 IHAB Cc1ccc(C(=O)NC(=S)Nc2ccc(I)c(C)n2)c(C)c1 1268634 PRDSYIXSWYQCEU-UHFFFAOYSA-N 425.295 3.738 0 40 IHAB Cc1ccc(CNC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1 1410890 GOPZXTLMARSRLS-UHFFFAOYSA-N 426.513 3.954 0 40 IHAB CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CCN1C[C@@H](C)C[C@H](C)C1 2256271 PRFPPIFJFDAJKJ-GJZGRUSLSA-N 431.533 3.668 0 40 IHAB CN(C)c1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2C)CCCC4)cc1 2361657 UVJAPEVOYGMLJN-UHFFFAOYSA-N 428.583 3.671 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)cc1 2618021 LHXZHHGVOHZLCN-UHFFFAOYSA-N 426.542 3.772 0 40 IHAB COc1ccc(-c2cc(C(=O)Nc3sc4c(c3C(N)=O)CCCC4)no2)cc1OC 4176432 WJHSNLDGBOZAPT-UHFFFAOYSA-N 427.482 3.650 0 40 IHAB C/C=C/c1ccc(OC[C@@H](O)CN(C)Cc2ccc(OC)c(OC)c2OC)c(OC)c1 6904389 WMPMJSHWKDEYPU-UCFODXPJSA-N 431.529 3.626 0 40 IHAB Cc1cc(C)n(-c2ccc(C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3Cl)cc2)n1 8693882 JCBWFUDCLOMGHC-UHFFFAOYSA-N 432.933 3.645 0 40 IHAB C[C@H](Sc1ccc(S(=O)(=O)N2CCCC2)cn1)C(=O)N[C@@H]1CCCc2ccccc21 8718712 QFLAOGSFFVGKSQ-OXJNMPFZSA-N 445.610 3.541 0 40 IHAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)Cn2c(=O)oc3ccccc32)cc1 8861067 PCGHFVAVIMURSF-JOCHJYFZSA-N 427.460 3.981 0 40 IHAB Cc1c(NC(=O)[C@H](C)OC(=O)c2cccc(C(F)(F)F)c2)c(=O)n(-c2ccccc2)n1C 9124753 CFCVHTISBLYSQN-AWEZNQCLSA-N 447.413 3.687 0 40 IHAB CCN1C(=O)C(C)(C)COc2ccc(NS(=O)(=O)c3cc(Cl)ccc3OC)cc21 9170838 KAHJVPSAIWYZBA-UHFFFAOYSA-N 438.933 3.921 0 40 IHAB COC(=O)c1c(COC(=O)c2nn(-c3ccccc3)cc2OC)nc2ccccc2c1C 9244652 JDDDBOLAUHDMPR-UHFFFAOYSA-N 431.448 3.881 0 40 IHAB CC(C)CNC(=O)NC(=O)CSc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1 9508254 DTSSWORGRUBPQV-UHFFFAOYSA-N 441.532 3.706 0 40 IHAB C[C@@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)N(C)Cc1ccccc1N1CCCCC1 9593346 HNLXBKGENBJWBI-INIZCTEOSA-N 440.613 3.785 0 40 IHAB O=C(CCNS(=O)(=O)c1ccc2ccccc2c1)NCCCn1ccc2ccccc21 9670374 XVXGRHQWMXNGLI-UHFFFAOYSA-N 435.549 3.669 0 40 IHAB COc1ccc(S(=O)(=O)Nc2nc(CC(=O)Nc3cc(C)cc(C)c3)cs2)cc1 9828657 HTXYPTSSKPGZLP-UHFFFAOYSA-N 431.539 3.751 0 40 IHAB Cc1nc2ccccc2n1CCc1nc2c3ccccc3nc(NCCN3CCCC3)n2n1 9831122 SCWZHTVYNMSSCB-UHFFFAOYSA-N 440.555 3.686 0 40 IHAB C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)c1ccc2c(c1)OCCO2 9883733 KUQMYGGHOMMFJX-PGRDOPGGSA-N 430.504 3.676 0 40 IHAB COc1cc(C)ccc1S(=O)(=O)Nc1ccc(-c2csc3nc(C)cc(=O)n23)cc1 11696464 VNPCLLQQIQLUKP-UHFFFAOYSA-N 441.534 3.849 0 40 IHAB CCOc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccc3c(c2)OCCCO3)cc1 11760769 KCRXNTRRQKCBIN-UHFFFAOYSA-N 426.498 3.806 0 40 IHAB COc1cc(OC)c(C2=CCN(C(=O)c3ccc4c(c3)OCCCO4)CC2)c(OC)c1 11918730 PZCIXPPOPALZIC-UHFFFAOYSA-N 425.481 3.803 0 40 IHAB CCc1ccccc1NC(=O)c1cc(-c2ccc(OC)cc2)n([C@H]2CCS(=O)(=O)C2)n1 11996933 LSIMQHRQZDAIAH-SFHVURJKSA-N 439.537 3.733 0 40 IHAB CNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(OC)c(Cc3ccccc3)c2)cc1 12042114 IJAMRWBGARBCPU-UHFFFAOYSA-N 438.549 3.765 0 40 IHAB Cc1ccc([C@]2(CC(=O)N3CCC(O)(Cn4ccnc4C)CC3)CCOC(C)(C)C2)cc1 12143514 KBKSSNFKLXHSBN-VWLOTQADSA-N 439.600 3.771 0 40 IHAB CCOc1ccc(-n2c(-c3ccc(Cl)cc3)cnc2SCC(=O)NC(N)=O)cc1 12628171 QKUPTOMSVAABBN-UHFFFAOYSA-N 430.917 3.878 0 40 IHAB CC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@@H]3CC=C4C[C@@H](OP(=O)(O)O)CC[C@]4(C)[C@@H]3CC[C@@]21C 12655230 FKBKGSILHZSWAK-ROBAUEJRSA-N 426.490 3.993 0 40 IHAB biogenic COc1ccc([C@H]2CCCCCN2Cc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 12751024 GWMZYLIVAVXMJO-XMMPIXPASA-N 444.597 3.833 0 40 IHAB CC[C@H](NC(=O)COc1ccc(C(=O)OC)cc1OC)c1ccc(Br)cc1 12757971 OUIUWKWCOOAKAX-INIZCTEOSA-N 436.302 3.891 0 40 IHAB COC(=O)c1ccc(NC(=O)CSc2nc3cccnc3n2Cc2ccccc2)cc1 13512761 SEXUWLBWDILPIK-UHFFFAOYSA-N 432.505 3.997 0 40 IHAB CC[C@@H](C(=O)NCCSCc1ccccc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714315 QIXQMZILYKGEHG-IBGZPJMESA-N 441.018 3.934 0 40 IHAB COCCN1C(=S)N[C@H](c2c(F)cccc2Cl)C(C(=O)Nc2cc(C)on2)=C1C 14232728 SWOVRLLVXSKAHJ-KRWDZBQOSA-N 438.912 3.566 0 40 IHAB CCOc1ccc([C@@]2(C)NC(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)C2=O)cc1 14237876 KPUQDVCUVSRBFN-JOCHJYFZSA-N 430.888 3.867 0 40 IHAB COc1ccc2cc(C(=O)OCc3cc(=O)oc4cc(NC(C)=O)ccc34)c(C)nc2c1 14703047 DJEIWJMOSHFJEI-UHFFFAOYSA-N 432.432 3.974 0 40 IHAB Cc1cccc(NC(=O)CSCC(=O)Nc2cc(Cl)ccc2N2CCOCC2)c1 14707741 QYOXRZSJDWKBJM-UHFFFAOYSA-N 433.961 3.795 0 40 IHAB COc1ccc(C(=O)NCc2ccccc2Cl)cc1S(=O)(=O)N1CCCCCC1 15584053 YRBLYKBXNCVZJE-UHFFFAOYSA-N 436.961 3.843 0 40 IHAB Cc1cc(OCC(=O)N(Cc2cccc(F)c2)[C@H]2CCS(=O)(=O)C2)cc(C)c1Cl 15831083 VYWWLYBBFDSTMH-SFHVURJKSA-N 439.936 3.691 0 40 IHAB CCN(CC)C(=O)[C@@H](c1ccccc1)N(C)CC(=O)Nc1ccccc1Br 17287760 DUABKQMTQGLRPE-HXUWFJFHSA-N 432.362 3.929 0 40 IHAB COc1cc(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)cc(Cl)c1OCC(C)C 18099885 JDKXOSHSYODQMR-UHFFFAOYSA-N 429.904 3.892 0 40 IHAB O=S(=O)(NCCc1ccccc1F)c1cc(Br)ccc1Br 18940635 JALBZPSIJKQIHR-UHFFFAOYSA-N 437.128 3.872 0 40 IHAB CCCNc1nnc(SCC(=O)N2CCN(Cc3cccc4ccccc34)CC2)s1 19353397 BOURDKCBIBOYPK-UHFFFAOYSA-N 441.626 3.950 0 40 IHAB COc1cccc(CC(=O)N2CC[C@](Cc3ccc(-c4cccs4)cc3)(C(N)=O)C2)c1 19563997 MWCJVJMHAONLKJ-RUZDIDTESA-N 434.561 3.913 0 40 IHAB COc1ccccc1CN1CCO[C@](Cc2cccc(-c3cccnc3)c2)(C(=O)N(C)C)C1 19580891 WHDJCSWUPOMYPK-MHZLTWQESA-N 445.563 3.659 0 40 IHAB Cc1ccc(Cc2ccc([C@H]3CN(C(=O)c4cnn5c(C)cc(C)nc45)CCO3)nc2)cc1 19692341 QNDVTDQWLBGHAW-XMMPIXPASA-N 441.535 3.854 0 40 IHAB Cc1nc([C@H]2CCCN(C3CCOCC3)C2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 19741347 NCISMQHFZDIXAY-IBGZPJMESA-N 438.547 3.762 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cc(C(F)(F)F)c3c(N)n[nH]c3n2)cc1F 19742511 CLDGPTCADQTQER-CQSZACIVSA-N 443.426 3.532 0 40 IHAB COCCNC(=O)c1c(NC(=O)COc2c(C)cc(C)cc2C)sc2c1CCCC2 19898552 NJQOOMBOFUYLFQ-UHFFFAOYSA-N 430.570 3.946 0 40 IHAB CCCS(=O)(=O)c1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(F)cc1 20443486 CTRZTCBBHSLLQF-UHFFFAOYSA-N 427.450 3.636 0 40 IHAB Cc1[nH]n(-c2ccccc2)c(=O)c1C(NCc1ccccn1)(C(F)(F)F)C(F)(F)F 20827627 HFFRVNMMAJPNKM-UHFFFAOYSA-N 430.352 3.979 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1c(C)cccc1C)n2C 21054134 YLFJQEGUADYPLO-UHFFFAOYSA-N 442.585 3.792 0 40 IHAB COc1cc(NC(=O)[C@@H](CC(C)C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c(OC)cc1Cl 21196969 PADOWBGNZPIPRK-JKIFEVAISA-N 434.920 3.662 0 40 IHAB CC[C@@H](C)c1ccc(NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2cccc(C)c2)cc1 22962964 IEFOGEOUQHXEOJ-DYESRHJHSA-N 430.570 3.680 0 40 IHAB C[C@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 25151724 FEIYFBKXMDGQTQ-QGZVFWFLSA-N 440.515 3.539 0 40 IHAB O=C(c1cccs1)N1CCN(C(=O)c2cc(-c3ccncc3)nc3ccccc23)CC1 25270380 JLGCGPFJXKFOKW-UHFFFAOYSA-N 428.517 3.957 0 40 IHAB O=C(Nc1cccc(Cl)c1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 26779992 UPBLNDGQGHRTDE-UHFFFAOYSA-N 430.313 3.658 0 40 IHAB CC(C)c1ccc(OCC(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCN(C)CC2)cc1 27662262 PSZQSXLFDQIIEE-QHCPKHFHSA-N 429.992 3.947 0 40 IHAB Cc1c(Br)c(C(F)(F)F)nn1[C@H](C)C(=O)N1CCN(c2ccccc2)CC1 27936495 AEZSSDHMTLCIIM-CYBMUJFWSA-N 445.283 3.883 0 40 IHAB Nn1c(SCc2ccc(Cl)cc2)nnc(Nc2ccc(Br)cc2)c1=O 28527666 RCYKHWKDUAMTCE-UHFFFAOYSA-N 438.738 3.804 0 40 IHAB O=C(c1cccc(NS(=O)(=O)c2c(F)cc(F)cc2Br)c1)N1CCCC1 30530856 DDFGISVFPDINLY-UHFFFAOYSA-N 445.285 3.764 0 40 IHAB O=C(CNC(=O)c1ccoc1)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 30693746 GDWQKXODCHVOIP-UHFFFAOYSA-N 431.370 3.919 0 40 IHAB O=C1C[C@@H](C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)CN1Cc1ccccc1Cl 32073502 AHYUDXKERUVXIU-QGZVFWFLSA-N 447.362 3.852 0 40 IHAB CSCC[C@H](NC(=O)CS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccccc2[nH]1 32721141 HZUJFPPGJHQGRP-KRWDZBQOSA-N 437.974 3.601 0 40 IHAB O=C(NCc1ccc(Cl)cc1)c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1 33325357 TZKNYDVNFGBHTC-OAHLLOKOSA-N 435.958 3.555 0 40 IHAB Cc1ccc(SCC(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)c(C)c1 36390337 MKEZJFDCWSYCRX-UHFFFAOYSA-N 425.598 3.795 0 40 IHAB CCN(CC)C(=O)c1ccc(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)c2ccco2)cc1 36695037 OHZPOFBJAZNIIE-JOCHJYFZSA-N 445.519 3.967 0 40 IHAB O=C1C[C@@H](c2ccc(OCc3ccccc3Cl)c(Br)c2)N2N=CNC2=N1 38208276 DOJPSXIUOLNKMX-HNNXBMFYSA-N 433.693 3.857 0 40 IHAB CCOc1ccc(-c2noc(CN3Cc4ccccc4C[C@@H]3C(=O)N3CCCC3)n2)cc1 48289785 AOMDAFNAFWEUPB-JOCHJYFZSA-N 432.524 3.685 0 40 IHAB CCOC(=O)[C@@H]1CCCN(C(=O)Cn2cccc2-c2nc(-c3ccc(Cl)cc3)no2)C1 57486739 OGAIMAZCMQTATC-MRXNPFEDSA-N 442.903 3.660 0 40 IHAB Cc1ccc(C)c(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc(C)c(F)c3)c2=O)c1 57492627 VIXRMBFMVNVEBV-UHFFFAOYSA-N 437.496 3.917 0 40 IHAB CCN(C(=O)Cn1c(=O)n(-c2ccc(F)cc2C)c(=O)c2sccc21)c1ccccc1 57493305 HWCMDWHRIOPZPF-UHFFFAOYSA-N 437.496 3.715 0 40 IHAB O=C(Nc1ccc(Cl)cc1)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 64985272 IPGRVDXNPGNHCL-FQEVSTJZSA-N 428.897 3.935 0 40 IHAB CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)c3c(C)oc(C)c3Br)ccc21 72277384 XAYXINBMDLHMQG-LBPRGKRZSA-N 434.286 3.996 0 40 IHAB CCN1CCN(C(=O)Cc2ccccc2OC)[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O 72351883 QAXWBKJXLYGFDQ-XMMPIXPASA-N 443.547 3.602 0 40 IHAB Cn1cc(C(=O)N2CCCC[C@@H]2c2nc(N)ncc2-c2cccc(C(F)(F)F)c2)cn1 72377193 UCBJVZCXECEXNB-QGZVFWFLSA-N 430.434 3.846 0 40 IHAB CNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)Cc2ccccc2)CCO1 72389221 LOKOBMSNSXUHRC-VWLOTQADSA-N 434.561 3.544 0 40 IHAB CC(C)c1nc(-c2ccc(N3CCN(C(=O)Cc4cn(C)c5ccccc45)CC3)nc2)no1 90558859 UTWRVPHNTJWIOK-UHFFFAOYSA-N 444.539 3.638 0 40 IHAB Cc1cccc(NC(=O)c2ccccc2NC(=O)CN2CCN(c3ccccc3O)CC2)c1 96793769 NHNXLOVHLXEVKL-UHFFFAOYSA-N 444.535 3.714 0 40 IHAB CCc1ccc(NC(=O)c2cnn3c2NC(C(=O)O)=C[C@H]3c2cc(OC)ccc2OC)cc1 102820749 HDTFKHIUZHZVDT-FQEVSTJZSA-N 448.479 3.698 0 40 IHAB Cc1ccc(SCCNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 219748783 REDOPWPUGDGUFD-LJQANCHMSA-N 439.002 3.710 0 40 IHAB CCCC(=O)N(Cc1ccc(OC)cc1)[C@H](C)C(=O)NCCc1ccc(OC)c(OC)c1 222981187 VIDVYSKCFPFSBQ-GOSISDBHSA-N 442.556 3.589 0 40 IHAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN(C)C)c(C)n1-c1cccnc1 223216320 UNLPSWTWODMRET-XZOQPEGZSA-N 434.613 3.808 0 40 IHAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(OC)cc1 223284349 BRLLIOLUAYAZBC-LJQANCHMSA-N 439.339 3.934 0 40 IHAB Cc1cccc(C)c1NC(=O)c1cnc(CN(C)S(=O)(=O)c2ccc(Cl)cc2)nc1 223388096 PMOHHOHFFYTIKM-UHFFFAOYSA-N 444.944 3.820 0 40 IHAB COc1ccc(S(=O)(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1C(=O)N1CCCC1 223433157 KCNZNZCZXCCVJK-SFHVURJKSA-N 430.570 3.896 0 40 IHAB OCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(Br)c1 223587269 XJIXQZDERDMUGH-MOPGFXCFSA-N 443.370 3.600 0 40 IHAB CN(C(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 225997492 QAKIUHSIYNSVDJ-UHFFFAOYSA-N 426.513 3.722 0 40 IHAB C[C@H]1CCC[C@@H](C)N1CCCNC(=O)[C@@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2N1 257221785 DQMLBQBBDFSEDV-DLCUYUDYSA-N 438.616 3.744 0 40 IHAB Cc1cc(C)n(CC(=O)N2CCCC[C@H]2c2ncc(Cc3cccc(Cl)c3)o2)c(=O)n1 257318469 VOBIRGDDSMXATA-FQEVSTJZSA-N 440.931 3.846 0 40 IHAB CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cccc(O)n1 257344179 ZWBIKJRFGKXQQZ-KDHQNNTKSA-N 433.552 3.793 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C(C)=O)c3)CC2)cc1C 408556293 HMCTWUFMICZOPL-UHFFFAOYSA-N 444.553 3.636 0 40 IHAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)cc1Cl 408561229 RLKQIKIQTWXUKD-SNVBAGLBSA-N 436.839 3.673 0 40 IHAB CCc1cccc(CC)c1N1C[C@H](C(=O)OCC(=O)Nc2ccc(C(C)=O)cc2)CC1=O 408657958 KHDKXVORNHYIJP-HXUWFJFHSA-N 436.508 3.549 0 40 IHAB CCc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC=C[C@@H](C)[C@H]4C3=O)cc2)cc1 408671182 YSRHWYCSUYQMQC-FQQGMQMYSA-N 446.503 3.746 0 40 IHAB COc1cccc2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)oc12 408700041 AECNFIIZGGUDOW-UHFFFAOYSA-N 429.479 3.951 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)Nc1cccc(C(C)=O)c1 408700462 GJXNKFOCXOMGHZ-UHFFFAOYSA-N 430.526 3.571 0 40 IHAB COc1cccc(OC)c1C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 409024071 TWXBORUHASNCFU-UHFFFAOYSA-N 447.329 3.957 0 40 IHAB Cc1cn2c(=O)c(C(=O)N(Cc3ccccc3)Cc3ccc(C(=O)O)cc3)cnc2s1 585091739 HGELMPUOGQMTDG-UHFFFAOYSA-N 433.489 3.605 0 40 IHAB Cc1ccc(S(=O)(=O)n2ccc(C(=O)Nc3nc(-c4ccc(Cl)cc4)n[nH]3)c2)cc1 600985213 KYZBSGYCFHLKGH-UHFFFAOYSA-N 441.900 3.724 0 40 IHAB COCC(COC)Sc1nc2sc3c(c2c(=O)n1-c1cccc(OC)c1)CCC3 1188225009 FFQDCFIPHYDVCE-UHFFFAOYSA-N 432.567 3.698 0 40 IHAB CC(C)(C)c1cn2nc(OCC3CCN(Cc4nnc(C(F)(F)F)o4)CC3)ccc2n1 1888888104 JARGPDHDWZOQNA-UHFFFAOYSA-N 438.454 3.720 0 40 IHAB CC(=O)NC(=O)c1cc2ccccc2o/c1=N\c1ccccc1I 1889226145 KAJWUDGMHCMBSI-UZYVYHOESA-N 432.217 3.546 0 40 IHAB CC(C)(C)OC(=O)NCCC(=O)Oc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 1750388 XNHRQQRPPJNDKJ-UHFFFAOYSA-N 425.437 3.986 0 40 IHAB biogenic CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CCN1C[C@H](C)C[C@@H](C)C1 2256272 PRFPPIFJFDAJKJ-HUUCEWRRSA-N 431.533 3.668 0 40 IHAB COC(=O)c1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN(C)C)cc1 2704372 MZNYHTSKOFCZFU-JOCHJYFZSA-N 448.519 3.693 0 40 IHAB COc1ccc([C@H]2C=C(c3ccccc3)N=c3sc(=C4SCCS4)c(=O)n32)cc1 3353296 WZMBNJOIFYVWAO-GOSISDBHSA-N 438.599 3.728 0 40 IHAB Cc1cc(C)n2c(S[C@H]3CCCCN(C(=O)c4ccc(Cl)cc4)C3=O)nnc2n1 3407054 CQLRRLXXDKOWPS-INIZCTEOSA-N 429.933 3.708 0 40 IHAB Cc1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)N1CCCCC1 3448281 XRWOURALDJSPAV-UHFFFAOYSA-N 435.929 3.863 0 40 IHAB CNC(=O)NC(=O)[C@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)c1ccccc1 3558137 FMGCUBWNTDRJTC-LJQANCHMSA-N 447.520 3.875 0 40 IHAB O=C(NCc1ccc2[nH]c3c(c2c1)CCCC3)c1ccc(S(=O)(=O)N2CCCC2)cc1 8683787 YUEXIKUAXLUDAP-UHFFFAOYSA-N 437.565 3.761 0 40 IHAB aggregator NC(=O)c1ccsc1NC(=O)COC(=O)c1ccccc1NCCC1=CCCCC1 8780235 GNBUTRMOPNVEQF-UHFFFAOYSA-N 427.526 3.945 0 40 IHAB C[C@H]1CCc2c(sc(NC(=O)COC(=O)/C=C/c3ccc4ccccc4n3)c2C(N)=O)C1 8825510 OGFSLWXMHRDZRZ-MARXPDLDSA-N 449.532 3.715 0 40 IHAB Cn1c(=O)c2c(SCc3c(F)cccc3Cl)nc(C3CCCC3)nc2n(C)c1=O 8895080 XCPMYSVNGBQUKA-UHFFFAOYSA-N 434.924 3.770 0 40 IHAB O=C(Nc1nc2c(s1)CCC[C@@H]2C(=O)NCc1cccs1)c1ccc2c(c1)OCO2 9104066 OJGUQQVVCWVBKB-AWEZNQCLSA-N 441.534 3.922 0 40 IHAB O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)C1=NN(c2ccccc2)C(=O)CC1 9254587 IDOQFLAGYWXCIM-UHFFFAOYSA-N 445.548 3.823 0 40 IHAB CCN(CC)CCOc1ccc2c(c1)C(NC=O)c1cc(OCCN(CC)CC)ccc1-2 9266258 HVJKJBMFOWUKJH-UHFFFAOYSA-N 439.600 3.944 0 40 IHAB COc1ccc(-c2nnc3ccc(SCC(=O)Nc4ccccc4F)nn23)cc1OC 9415395 POUYMSNNJJNMNA-UHFFFAOYSA-N 439.472 3.678 0 40 IHAB O=C1CCCN1C(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)c(Cl)c1 9464360 RXNSSDKCVRRIJH-UHFFFAOYSA-N 448.335 3.877 0 40 IHAB Cc1nnc(SCC(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)n1Cc1ccccc1 9467346 NLZOHPWSDRQRHH-QGZVFWFLSA-N 432.553 3.790 0 40 IHAB CCCn1c(S[C@H](C(=O)NC(=O)NC)c2ccccc2)nc2sc(CC)cc2c1=O 9508589 AMENOTFOKIAHII-INIZCTEOSA-N 444.582 3.719 0 40 IHAB Cc1ccc2nc(COC(=O)c3nc(-c4ccccc4)n(-c4ccccc4)n3)cc(=O)n2c1 9633428 PESZBZPFNUENOW-UHFFFAOYSA-N 437.459 3.608 0 40 IHAB Cc1cccc(OCCN(C)C(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)c1 10999365 QWDXMLSYOHPUDY-UHFFFAOYSA-N 425.554 3.642 0 40 IHAB Cc1ccccc1C(=O)NC1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 12644410 QBRZMAFZMNHMTN-UHFFFAOYSA-N 430.346 3.590 0 40 IHAB CC(=O)Nc1ccc(S(=O)(=O)N(Cc2nc(-c3ccc(C)cc3)no2)C(C)C)cc1 12654430 ICDIEOMVONFSLM-UHFFFAOYSA-N 428.514 3.603 0 40 IHAB CCOC(=O)Cc1csc(NC(=O)[C@H]2CC(=O)N(c3ccccc3[C@@H](C)CC)C2)n1 12734778 NCKOGZLDFWISLP-GJZGRUSLSA-N 429.542 3.754 0 40 IHAB CCOc1ccc(NC(=O)[C@H](C)Oc2cccc(C)c2)cc1S(=O)(=O)N1CCCC1 12809396 UHOYHHXOOBMBIN-KRWDZBQOSA-N 432.542 3.584 0 40 IHAB CC(=O)Nc1ccc(NC(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)c(C(F)(F)F)c1 12850349 XDSVEVQTEXWVOF-UHFFFAOYSA-N 443.447 3.603 0 40 IHAB CC[C@@H](NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(Br)cc1 12974656 STLCYJZRBKDSFN-GOSISDBHSA-N 437.359 3.771 0 40 IHAB CCOc1ccc(S(=O)(=O)Nc2ccc(Nc3ccc(-n4cccn4)nn3)cc2)cc1 13009953 NDBPPFKWOGFHEK-UHFFFAOYSA-N 436.497 3.605 0 40 IHAB Cn1nc(C(=O)NCCSc2ncc(C(F)(F)F)cc2Cl)c2ccccc2c1=O 13145851 BPPUKGZFIGHAEV-UHFFFAOYSA-N 442.850 3.523 0 40 IHAB CCC[C@@H](c1nnnn1C(C)(C)CC)N(CCCO)Cc1cc2cc(C)ccc2[nH]c1=O 13501021 FTAAZFBUVHUJJX-NRFANRHFSA-N 440.592 3.694 0 40 IHAB O=C(Nc1ccc(F)cc1)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 13682919 BCNWKGBADWEQLZ-NRFANRHFSA-N 426.469 3.562 0 40 IHAB CC(C)(C)NC(=O)CSc1nnc(CC(=O)Nc2ccccc2F)n1-c1ccccc1 13956059 OKHXNZLOGJYHDP-UHFFFAOYSA-N 441.532 3.594 0 40 IHAB CCN(Cc1ccc(OC)c(F)c1)C(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCO2 15301146 ADCWITHTZAUXGH-HXUWFJFHSA-N 428.504 3.791 0 40 IHAB COc1cc(C(=O)N2CCN(c3nc4c(C)c(C)ccc4s3)CC2)cc(OC)c1OC 15882464 AVJSWWFXMJLLBG-UHFFFAOYSA-N 441.553 3.901 0 40 IHAB CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2cccc(F)c2)o1 15999093 KOBUFEKEZOUFMN-WFASDCNBSA-N 427.498 3.795 0 40 IHAB COc1ccc(Cl)cc1NC(=O)CN(C)[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 16626254 NNKYULOFHAWHJU-KWJFTMPMSA-N 433.980 3.692 0 40 IHAB COc1ccc(-c2nc(C)c(CCNS(=O)(=O)c3ccccc3F)s2)cc1OC 16992015 ZWLVKHHDZUPIDW-UHFFFAOYSA-N 436.530 3.796 0 40 IHAB CCOC(=O)c1sc2cccc(F)c2c1COC(=O)c1ccc2c(c1)OCC(=O)N2 17982407 OIWXOPKNNGLNSE-UHFFFAOYSA-N 429.425 3.905 0 40 IHAB CC(C)C(=O)N1CCC(c2nc([C@@H]3CCCN(Cc4ccccc4F)C3)cc(=O)[nH]2)CC1 19085355 PZZLGFHUMQTINP-HXUWFJFHSA-N 440.563 3.651 0 40 IHAB Cc1ccc(O[C@@H](C)C(=O)N2CCC[C@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)cc1 19210846 DMTNJLHVLGLDHR-UOVPBQLFSA-N 437.466 3.580 0 40 IHAB O=C(NCc1ccc(F)cc1)c1cc(C2CCN(C(=O)c3cccc(F)c3)CC2)no1 19293516 CAFLDOWIJQYCPH-UHFFFAOYSA-N 425.435 3.903 0 40 IHAB CCn1ccc(C(=O)N2CC[C@](Cc3cccc(-c4ccccc4)c3)(C(=O)N(C)C)C2)n1 19525133 ZGMMHKQNLQIXBI-AREMUKBSSA-N 430.552 3.733 0 40 IHAB CN(C)C(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)c2ccccn2)C1 19579330 JCAQOUXEQKGSLU-SANMLTNESA-N 428.536 3.697 0 40 IHAB Cc1n[nH]cc1C(=O)N1CCC[C@](Cc2ccccc2-c2ccncc2)(C(=O)NC(C)C)C1 19582360 YZBAWPHCFMKCPW-AREMUKBSSA-N 445.567 3.770 0 40 IHAB CCN(CC)C(=O)CN1CCC(c2nc(N(C)C)ncc2-c2cccc(Cl)c2)CC1 19694160 RQPSFRIVZZJBCX-UHFFFAOYSA-N 429.996 3.911 0 40 IHAB Cn1cc2c(n1)[C@H](C(=O)NCCc1c[nH]c3ccc(F)cc13)CN(Cc1cccc(F)c1)C2 19701266 MOJLOZZHPBMENW-JOCHJYFZSA-N 449.505 3.638 0 40 IHAB CN(C)C(=O)c1sc2ncccc2c1[C@H]1CN(C(=O)CCc2ccc(F)cc2)CCO1 19702763 HHJKWNUSJQDIHJ-GOSISDBHSA-N 441.528 3.670 0 40 IHAB COc1cccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)Cc3csc(C)n3)CC2)c1 19747021 IGEIJWNFGDOEIK-QFIPXVFZSA-N 441.597 3.936 0 40 IHAB Cc1ncc(C(=O)NC2CC2)c([C@@H]2CCCN2C(=O)C(C)(C)Oc2ccc(C)c(C)c2)n1 19766828 QXHAYKRZDQJSPF-NRFANRHFSA-N 436.556 3.815 0 40 IHAB CC1CCN(S(=O)(=O)c2ccc(OCC(=O)N[C@@H]3CCCc4ccccc43)cc2)CC1 20021374 LQPIWDQGEOKITR-HSZRJFAPSA-N 442.581 3.680 0 40 IHAB O=C(NC(=S)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1ccc2c(c1)OCCO2 20152530 PGHDQZORYCLRJG-UHFFFAOYSA-N 444.896 3.990 0 40 IHAB CC(C)(CN/C=C1/C(=O)N(c2cccc(Cl)c2)C(=O)c2ccccc21)N1CCOCC1 20674944 DSGLORWKYGSNER-RCCKNPSSSA-N 439.943 3.568 0 40 IHAB C[C@H](Sc1nc(CN2CCOCC2)nc2ccccc12)C(=O)Nc1cccc(F)c1 22188521 UQEUDCLKODQZMY-HNNXBMFYSA-N 426.517 3.720 0 40 IHAB COc1ccc(NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)cc1 22278282 QXJLMBDHDMESJB-UHFFFAOYSA-N 426.494 3.538 0 40 IHAB Cc1ccc([C@H](c2nnnn2Cc2cccs2)N2CCN(Cc3ccccc3)CC2)cc1 22929753 DMUJEALJOQDOCM-XMMPIXPASA-N 444.608 3.999 0 40 IHAB CN(C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1CCCc2ccccc21 25318894 NJTGQGCBNQOGPZ-QHCPKHFHSA-N 426.582 3.940 0 40 IHAB Cc1nc2c(-c3cccs3)nc(=O)n(CC(=O)NCc3ccccc3Cl)c2s1 32616314 PMLICZFKFYGCLG-UHFFFAOYSA-N 430.942 3.860 0 40 IHAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)CSc1nnc(-c2ccccc2F)n1C 32778053 JZAQQFCFNMEFGI-UHFFFAOYSA-N 436.516 3.558 0 40 IHAB COc1cccc(NC(=O)Cn2cc(-c3nc(-c4ccc(Cl)cc4)no3)ccc2=O)c1 33293191 RSWFRFZMZNVHCX-UHFFFAOYSA-N 436.855 3.866 0 40 IHAB Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)NC(=S)N[C@]2(O)C(F)(F)F)cc1 36387048 CXTLQMTZCXJYPB-HDMKZQKVSA-N 428.863 3.917 0 40 IHAB C[C@H](NCc1cc(Br)c(OCC(N)=O)c(Br)c1)c1ccccc1 36612928 GRQAHBWYRPAKGG-NSHDSACASA-N 442.151 3.927 0 40 IHAB COc1ccc(-c2cc(C(=O)NC[C@H](C)Cn3cc(Cl)cn3)c3cnn(C)c3n2)cc1 36613336 DWBCTHBWLCBORR-AWEZNQCLSA-N 438.919 3.560 0 40 IHAB O=C(CCCCCNC1=NS(=O)(=O)c2ccccc21)N1CCC[C@@H]1c1ccsc1 40110525 UDBJSCMABUHOIO-GOSISDBHSA-N 431.583 3.711 0 40 IHAB Cc1ccc([C@H](CN2CCOCC2)NCC(=O)NCCSc2ccc(Cl)cc2)cc1 49605850 FPULPKBIZYTKSQ-QFIPXVFZSA-N 448.032 3.520 0 40 IHAB COc1ccccc1Cn1c(SCC(=O)NCc2ccco2)nc2ccsc2c1=O 57425560 VCKKPUGLEFUOFQ-UHFFFAOYSA-N 441.534 3.516 0 40 IHAB C[C@@H](C(=O)N(CCc1ccccc1)Cc1ccccc1)N1CCN(c2nccs2)CC1 57769961 UQLBQMLXTBXJJZ-NRFANRHFSA-N 434.609 3.925 0 40 IHAB CC(C)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4[C@@H](C)CCC[C@H]4C)[nH]c(=O)c32)cc1 59816748 MFQIXWXKSRYDIE-RVKKMQEKSA-N 437.544 3.725 0 40 IHAB C[C@H](NC(=O)N1CCN(c2cccc(Cl)c2)CC1)C(=O)Nc1ccc2cc[nH]c2c1 61720503 YRFOABQIWQSPHW-HNNXBMFYSA-N 425.920 3.680 0 40 IHAB C[C@H](C(=O)Nc1cccc(NC(=O)N(Cc2cccnc2)C[C@H]2CCCO2)c1)n1cccn1 65565658 ZHZFTHXALJFIGR-XMSQKQJNSA-N 448.527 3.691 0 40 IHAB COc1cc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2CCC(C)C)cc(OC)c1 67238097 LQCZUIUMJIAXDB-UHFFFAOYSA-N 444.557 3.827 0 40 IHAB CCCCn1c(SCC(=O)Nc2ccccc2C(=O)OCC)nc2cc(C)[nH]c2c1=O 67238395 OEXVXNHIJFQKGL-UHFFFAOYSA-N 442.541 3.741 0 40 IHAB COC(=O)c1ccc(NC(=O)CN2C(=O)C(c3ccccc3)=NC23CCC(C)CC3)cc1 71327907 BRWPMWUJNNJHCK-UHFFFAOYSA-N 433.508 3.650 0 40 IHAB C[C@H](CCc1ccccc1)NC(=O)c1cn(-c2ccc(-c3nc(C4CC4)no3)cn2)cn1 71768296 PRPBCQBLKJPJPA-MRXNPFEDSA-N 428.496 3.946 0 40 IHAB CC(=O)N1Cc2cc(C)ccc2OC2(CCN(CC(=O)Nc3c(C)cccc3C)CC2)C1 72394443 KJFOVRFXWFYUEQ-UHFFFAOYSA-N 435.568 3.826 0 40 IHAB COCCn1ccc2c(NC(=O)Cn3cc(OCc4ccccc4)c(=O)cc3C)cccc21 72405060 DESXYJFLIMUVDN-UHFFFAOYSA-N 445.519 3.976 0 40 IHAB O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@@H](c2nnc(C(F)(F)F)o2)C1 77198158 FCUZNCCZTSNVIS-SECBINFHSA-N 429.342 3.676 0 40 IHAB COCCNC(=O)C[C@H]1CC2(CCN(C(=O)c3ccccc3C)CC2)Oc2ccccc21 96243119 GCEQPJZMPVGLBS-FQEVSTJZSA-N 436.552 3.689 0 40 IHAB COc1cc(C(=O)N2CCC[C@@H]2c2nc(-c3ccc(F)cc3)no2)cc(OC)c1OC 98212209 HFGCSNSXQRMMIP-MRXNPFEDSA-N 427.432 3.879 0 40 IHAB CCCOc1ccc(N2C(=O)C[C@@H](N3CCN(Cc4ccc(Cl)cc4)CC3)C2=O)cc1 100095814 HXFHNYJDUMJNIG-JOCHJYFZSA-N 441.959 3.579 0 40 IHAB O=C(C1CCC1)N1CCc2nc3cc([C@H]4CCCCN4Cc4ccccc4)nn3c(O)c2C1 100243249 PHCWJCIRHWBPST-HSZRJFAPSA-N 445.567 3.847 0 40 IHAB Cc1ccc(C)c(C(=O)[C@@H](C)OC(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)c1 106281865 LPVFWGDNQAMBAP-KPNPRUKOSA-N 428.529 3.555 0 40 IHAB CCn1c(SCC(=O)Nc2ccccc2F)nnc1[C@@H](C)NC(=O)c1ccccc1C 107912470 NZGHHHDMALESAN-OAHLLOKOSA-N 441.532 3.967 0 40 IHAB CC[C@H](NC(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O)c1ccc(OC)cc1 113965137 RQMCTJVMCUBXKG-FQEVSTJZSA-N 440.512 3.787 0 40 IHAB CC[C@H](C(=O)NCCCc1ccc(Cl)cc1)N(c1cccc(OC)c1)S(C)(=O)=O 220626465 LSPIONNQAFQZHK-HXUWFJFHSA-N 438.977 3.642 0 40 IHAB CCc1ccc(OCC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC)c(Br)c1 222429785 JGCMHRYPVOGKKG-MRXNPFEDSA-N 447.373 3.862 0 40 IHAB Cc1ccc(N(C)C(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1C 222629822 GAPWREOQEQMZOB-UHFFFAOYSA-N 430.570 3.956 0 40 IHAB CCc1ccc(N(CCCC(=O)Nc2ccc(N3CCCC3=O)cc2)S(C)(=O)=O)cc1 222648551 KVZSLUWHYZWRBI-UHFFFAOYSA-N 443.569 3.561 0 40 IHAB C[C@H]1Cc2cc(Br)cc3c(=O)c(C(=O)Nc4ccc5c(c4)OCO5)cn1c23 223105956 IVWJBYZBRGUOBM-JTQLQIEISA-N 427.254 3.862 0 40 IHAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCCc1ccc(Cl)cc1 223615764 HBOYQUFBJXNKBB-FQEVSTJZSA-N 438.977 3.642 0 40 IHAB COc1ccc(OC[C@H](C)NC(=O)c2ccc(C)cc2I)cc1 225025809 DSLTVMBVPMRPAX-ZDUSSCGKSA-N 425.266 3.806 0 40 IHAB CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CCCOc1ccccc1 225460834 LFMGQAMQABQPLL-MRXNPFEDSA-N 433.346 3.771 0 40 IHAB CN(CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N[C@@H]2Cc1ccccc1)Cc1cccnc1 257263244 LOZYXKSWDMUTMJ-AMVJKZIMSA-N 432.612 3.646 0 40 IHAB COc1cccc(-c2ccc3nc([C@@H]4CCCN(C(=O)c5cc(C)on5)C4)nn3c2)c1OC 306135211 OLBWDEDNOHLTFG-QGZVFWFLSA-N 447.495 3.730 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(F)cc2)cc1 408665591 UCOPOBAPMGRAFV-UHFFFAOYSA-N 444.459 3.683 0 40 IHAB CC(C)Oc1ccc(CNC(=O)C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1 408708911 NBLMPOQUZXDSPA-UHFFFAOYSA-N 445.519 3.659 0 40 IHAB COc1cccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(C)cc3)[C@@H]2c2ccc(Cl)cc2)c1 409054900 OINUHRLMCQJULQ-WSBKAMHLSA-O 448.930 3.673 0 40 IHAB CN(c1ccccc1C(=O)NCCSCc1ccco1)S(=O)(=O)c1ccccc1 409339292 GXPLIUZEFYISNE-UHFFFAOYSA-N 430.551 3.768 0 40 IHAB CN1C(=O)C(=C(Nc2ccccc2)SCCOc2ccccc2Cl)C(=O)N(C)C1=O 409369747 FUUJLXPKWOZAAJ-UHFFFAOYSA-N 445.928 3.826 0 40 IHAB O=C(NCCCc1ccc(Br)cc1F)Nc1cccc(Cn2cncn2)c1 523924822 FAUMYVHBCUPXRG-UHFFFAOYSA-N 432.297 3.982 0 40 IHAB COCC(=O)N1CCCN(C(C)C)CCN(C(=O)[C@@H]2[C@H]3CCCC[C@H]32)Cc2ccccc21 643555245 WZGOGLOYEXIXFT-BSRHZMJTSA-N 441.616 3.545 0 40 IHAB COC(OC)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12 712642 DASXGRFLWVXOHQ-XDJZYPBNSA-N 443.474 3.995 0 40 IHAB O=C(CSc1nnc(CNc2ccc(F)cc2)n1C[C@@H]1CCCO1)Nc1ccccc1 899874 LUYDAANLNWCVLU-IBGZPJMESA-N 441.532 3.939 0 40 IHAB COc1ccc2cc(CN(Cc3cccs3)Cc3nnnn3C(C)(C)C)c(=O)[nH]c2c1 927492 CPGSWKHOABYUSC-UHFFFAOYSA-N 438.557 3.542 0 40 IHAB COc1cc([C@@H](c2cc3c(cc2OC(C)=O)OCO3)[C@H](C)C(C)=O)cc(OC)c1OC 1608015 SYRORLGKMVZNMN-IPQOISQHSA-N 430.453 3.723 0 40 IHAB COCCNC(=O)c1nn2c(c1Br)N[C@@H](c1ccccc1)C[C@H]2C(F)(F)F 2301786 RZODMPHKMWQQHB-NEPJUHHUSA-N 447.255 3.682 0 40 IHAB O=C(NCc1ccccc1)NC(NC(=O)c1cccs1)(C(F)(F)F)C(F)(F)F 2349334 ZLNWHWBALLDMQD-UHFFFAOYSA-N 425.354 3.798 0 40 IHAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)O[C@@H](C)C(=O)NC(=O)NC1CCCCC1 2652533 KRTJMXTZIKTTSD-AWEZNQCLSA-N 432.908 3.538 0 40 IHAB CCOc1cc(C(=O)OCC(=O)N2CCc3ccccc3C2)cc(OCC)c1OCC 3216229 SFYIDXAYGVHMBK-UHFFFAOYSA-N 427.497 3.624 0 40 IHAB O=C(CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)Nc1ccc(SC(F)F)cc1 3279405 VZEUFAGTPSEUIG-KRWDZBQOSA-N 444.463 3.584 0 40 IHAB CSc1ccccc1NC(=O)CN(C)Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3 3424444 CFOJGHBMZCMUOH-UHFFFAOYSA-N 428.583 3.656 0 40 IHAB CC1=C[C@@H](C)C(COC(=O)CN2CCCCC2)(COC(=O)CN2CCCCC2)[C@H](C)C1 4201052 ZHWAMRJQVFCPPU-FGZHOGPDSA-N 434.621 3.653 0 40 IHAB COc1ccc2[nH]c(=O)c(CN(CCCN(C)C)C(=S)Nc3ccc(C)cc3)cc2c1 6245245 DSQHHPUAWKKZJJ-UHFFFAOYSA-N 438.597 3.996 0 40 IHAB CCn1ccnc1SCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1CC 8708415 IUKZQOMVTYUGBV-UHFFFAOYSA-N 433.603 3.740 0 40 IHAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CSc1nnc(C)n1-c1ccccc1 8723722 MIOVHXZWXQTBGS-UHFFFAOYSA-N 446.580 3.846 0 40 IHAB CCn1c(SC/C=C/c2ccccc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 8861772 ONDGSDGURADDJD-RMKNXTFCSA-N 443.594 3.883 0 40 IHAB O=S(=O)(c1ccc2c(c1)OCCO2)N(Cc1cccs1)c1ccc2c(c1)OCCO2 9057905 XEZSGGAVLYXWAG-UHFFFAOYSA-N 445.518 3.686 0 40 IHAB COc1ccccc1NC(=O)CSc1nnc(-c2cc(Br)ccc2O)n1C 9226014 RQZYHLYWIIYJCX-UHFFFAOYSA-N 449.330 3.690 0 40 IHAB Cn1c(Cc2ccccc2)nnc1SCC(=O)N1CCc2cc(Br)ccc21 9227222 WDGMCQOXCZHLAN-UHFFFAOYSA-N 443.370 3.850 0 40 IHAB CCCc1nnc2n1N[C@@H](c1ccc(OC)cc1)[C@H](C(=O)Nc1cccc(OC)c1)S2 9239110 GYVDBKCTCGOIHX-VQTJNVASSA-N 439.541 3.646 0 40 IHAB COc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)n3nc(N4C(=O)CCC4=O)nc3N2)cc1 9346083 NEBCPIVVGSGCRP-QZTJIDSGSA-N 437.887 3.740 0 40 IHAB CCc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 9435025 WZRCLBQANYADHU-HNNXBMFYSA-N 445.313 3.546 0 40 IHAB O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1F)N1CCCc2ccccc21 9782050 XOPZQSHSZREGBJ-UHFFFAOYSA-N 428.485 3.589 0 40 IHAB O=C(COC(=O)c1ccc2ccccc2n1)Nc1cccc(I)c1 9819934 GKJWKJMVAUAUSW-UHFFFAOYSA-N 432.217 3.635 0 40 IHAB CN(c1ccccc1C(=O)NCCCN1CCCCCC1)S(=O)(=O)c1ccccc1 10111217 JWHKCUCQUHPVMO-UHFFFAOYSA-N 429.586 3.508 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1 10544562 QHQUDJNFWWHEBM-GOSISDBHSA-N 440.569 3.613 0 40 IHAB CC[C@H](C)c1ccccc1OCC(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C 10587241 QBEZEKRFJBQBKE-ZWKOTPCHSA-N 437.540 3.801 0 40 IHAB COc1cccc(-c2cc(C(=O)N3CCC[C@H]([C@@H](NC(C)=O)c4nccs4)C3)no2)c1 12158126 LRWONUWWPQGDCM-OXJNMPFZSA-N 440.525 3.536 0 40 IHAB CN1C[C@@H](NC(=O)c2ccc3c(c2)OCO3)C[C@H]1c1nc(-c2ccc3ccccc3c2)no1 12529894 HDBSTLVYRCSDOH-PMACEKPBSA-N 442.475 3.794 0 40 IHAB biogenic,in-vitro CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1 12550983 WEBFCNDHZMJKBE-FUHWJXTLSA-N 440.569 3.660 0 40 IHAB C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)OCC(=O)NC2CCCCCC2)cc1 12623931 SHPGRRNXEKAVBL-KDURUIRLSA-N 444.572 3.851 0 40 IHAB O=C(CCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)NCc1ccco1 12629832 BCWLOSUCCASTQI-UHFFFAOYSA-N 431.536 3.610 0 40 IHAB COc1ccc(-c2noc(CN(C)C(=O)c3ccc(Br)cc3)n2)cc1OC 12654468 MPSZXNHACXJQMO-UHFFFAOYSA-N 432.274 3.789 0 40 IHAB CCOc1ccc(CCNC(=O)COC(=O)CSc2ccccc2C)cc1OCC 12938773 NVYYPJXAXNPCOW-UHFFFAOYSA-N 431.554 3.787 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)NCCSCc2ccccc2)cc1 12977444 MRGXFXDWQGXGNF-NTCAYCPXSA-N 432.611 3.780 0 40 IHAB Fc1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CCN(c3ccccc3F)CC2)cc1 13504613 ARGZNTCZKOQLKE-DEOSSOPVSA-N 446.505 3.911 0 40 IHAB CSc1ccc([C@H]2NC3=NCN(Cc4ccccn4)CN3c3nc4ccccc4n32)cc1 13638222 HZRKEONWIJRFIU-QFIPXVFZSA-N 441.564 3.897 0 40 IHAB O=c1[nH]c(CSc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)nc2ccsc12 14160124 VRCCOMDKYDMPTF-NSHDSACASA-N 431.568 3.776 0 40 IHAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)CCS(=O)(=O)c1ccc(C)cc1 14596332 VPELDNJWSZZYCJ-UHFFFAOYSA-N 445.459 3.842 0 40 IHAB O=S(=O)(c1cccc(CSc2ncc(-c3ccc(F)cc3)o2)c1)N1CCOCC1 14803629 CHOMQAUTEUBQCV-UHFFFAOYSA-N 434.514 3.794 0 40 IHAB COc1cc(C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)cc(OC)c1Br 15428571 QNLIUKHMYISMCS-UHFFFAOYSA-N 448.722 3.776 0 40 IHAB CC(C)c1ccc(CN(CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)C2CC2)cc1 16397085 VNPJGDCVQXTOKQ-HSZRJFAPSA-N 432.630 3.733 0 40 IHAB Cc1cc(C)c2c(n1)sc1c(=O)n(CC(=O)OCc3ccc(-n4cccn4)cc3)cnc12 16673926 RAFRIYBVXBBJQI-UHFFFAOYSA-N 445.504 3.552 0 40 IHAB CCNC(=O)CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1 17479996 FMYMSZSMLFXDAU-UHFFFAOYSA-N 435.760 3.974 0 40 IHAB CCCNC(=O)[C@H](C)NC(=O)c1cc(Br)c(OCc2ccccc2)c(OC)c1 17800782 FCTSRTPQHGPVMJ-AWEZNQCLSA-N 449.345 3.681 0 40 IHAB COc1cc(CCNC(=O)Cn2c(S)nnc2-c2cccc(C)c2)ccc1OC(F)F 18205074 VLIUZDXTDRRRKM-UHFFFAOYSA-N 448.495 3.511 0 40 IHAB Fc1ccc(-c2cnc3c(c2)[C@@H](N2CCOCC2)n2nc(-c4cccnc4)nc2S3)cc1 19341255 OORUNGBHOGLDTN-QFIPXVFZSA-N 446.511 3.885 0 40 IHAB CCNC(=O)[C@@]1(Cc2ccc(-c3ccccc3OC)cc2)CCN(C(=O)c2ccccn2)C1 19529046 HRLRLDMGDHVCQJ-HHHXNRCGSA-N 443.547 3.968 0 40 IHAB CCOC(=O)[C@]1(Cc2cc(-c3ccc(C)cc3)no2)CCCN(C(=O)[C@@H]2CCCO2)C1 19529888 NAHFNQOCQVPENT-URXFXBBRSA-N 426.513 3.543 0 40 IHAB COc1ccc(OC)c([C@H](c2nnnn2C2CCCC2)N2CCN(c3ccccc3)CC2)c1 19551201 SBUXWFCQUBSXSX-XMMPIXPASA-N 448.571 3.717 0 40 IHAB Cc1cc(C(F)(F)F)c2c(=O)[nH]c(C3CCN(C(=O)CCc4cccnc4)CC3)cc2n1 19568543 YWMPZFURIRULNP-UHFFFAOYSA-N 444.457 3.984 0 40 IHAB COc1ccccc1-c1ccccc1C[C@H]1CN(C(=O)COc2ccccc2)CCNC1=O 19571771 WPPDQMONCIRQJS-NRFANRHFSA-N 444.531 3.558 0 40 IHAB Cc1cc(C)n(C)c(=O)c1C(=O)N1CCC[C@H]1c1nc(N(C)C)ncc1-c1ccccc1 19689840 GPTPQCYFRWWNPA-FQEVSTJZSA-N 431.540 3.502 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccn2)c2cccc(Cl)c2)cc1 20235420 ARCZIZKQKSURGR-UHFFFAOYSA-N 429.929 3.555 0 40 IHAB Cc1cc(=O)oc2cc(OCc3noc(C(=O)NCc4ccc(Cl)cc4)n3)ccc12 20723177 IRXZNACJJABUAE-UHFFFAOYSA-N 425.828 3.647 0 40 IHAB Cc1cc(C)c([C@H](C)NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2C)cc1C 22537241 YANDMJVLRUGHEG-FQEVSTJZSA-N 444.597 3.961 0 40 IHAB Cc1noc(C)c1COc1cccc(C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)c1 22687152 SPJAFOUSYIORES-QHCPKHFHSA-N 435.524 3.501 0 40 IHAB COc1ccc(Cn2nnnc2[C@@H](c2ccccc2)N2CCN(C3CCCCC3)CC2)cc1 22929467 XTFMHQCCXVWLMS-RUZDIDTESA-N 446.599 3.770 0 40 IHAB CCC(=O)N(c1nnc(S[C@H](C)C(=O)c2[nH]c(C)c(C(=O)OC)c2C)s1)C1CC1 23329249 FHCLPNLLBHGEBN-LLVKDONJSA-N 436.559 3.539 0 40 IHAB COC(=O)[C@@H](/C=C/C1CCN(C(=O)OC(C)(C)C)CC1)NC(=O)OCc1ccccc1 26896158 DDLVFWWQXXYWDQ-GNISGLHKSA-N 432.517 3.658 0 40 IHAB O=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)c1csc(-c2ccco2)n1 29609628 RXLKFLOIJXWEEG-UHFFFAOYSA-N 431.539 3.508 0 40 IHAB CN(c1ccc(C(=O)NCc2ccc(-n3ccnc3)cc2)cc1)S(=O)(=O)c1ccccc1 30849493 XQQWCEWHCZDMAT-UHFFFAOYSA-N 446.532 3.627 0 40 IHAB O=C1C[C@@H](C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)CN1Cc1ccc(Cl)cc1 32105369 KROXECOGPOFGRF-QGZVFWFLSA-N 447.362 3.852 0 40 IHAB COC(=O)c1cc(CNC(=O)c2cccnc2SCc2c(C)noc2C)ccc1OC 32717103 MYDFEBFQVKHADX-UHFFFAOYSA-N 441.509 3.704 0 40 IHAB COc1ccccc1Oc1ccc(NC(=O)C(=O)NCCCN2CCCC[C@@H]2C)cc1 32937304 WZPWOJZMVDQQET-SFHVURJKSA-N 425.529 3.807 0 40 IHAB COC(=O)[C@@H]1CN(C(=O)c2ccc(OCc3ccccc3)c(OC)c2)c2ccccc2O1 32983165 USRIGEOSKRYAML-QHCPKHFHSA-N 433.460 3.855 0 40 IHAB Cc1cc2occ(CC(=O)NCCCN3C(=O)NC4(CCCC4)C3=O)c2cc1C(C)C 36719320 BXPMLIPWWACSMQ-UHFFFAOYSA-N 425.529 3.778 0 40 IHAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1nn(-c2ccccc2)c2c1CCCCC2 40143791 IATYRKHYDMHRHL-UHFFFAOYSA-N 427.508 3.650 0 40 IHAB O=C(NCc1ccc(Cl)cc1)[C@@H](NS(=O)(=O)c1ccc(F)cc1)c1ccccc1 40149831 GQGQQWYRTQYQDH-FQEVSTJZSA-N 432.904 3.815 0 40 IHAB CCc1c(C)sc2nc3n(CC(=O)Nc4cccc(Cl)c4)nc(SC)n3c(=O)c12 40287834 FLUWJBBNWKDGMI-UHFFFAOYSA-N 447.973 3.991 0 40 IHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(CC(=O)N2CCC(O)CC2)cc1 44036950 SBXBVCCGGZBYLG-UHFFFAOYSA-N 430.932 3.662 0 40 IHAB COc1ccccc1[C@@H](CNS(=O)(=O)c1ccc(F)cc1Cl)N1CCCCC1 48287651 KBBFJOMMOOFHRS-GOSISDBHSA-N 426.941 3.993 0 40 IHAB Cc1cccc(NC(=O)Cn2c(-c3ccc(C(F)(F)F)cc3)nc(C)c(CCO)c2=O)c1 67301257 WGLODJGBAZNIQA-UHFFFAOYSA-N 445.441 3.719 0 40 IHAB CCOc1ncc([C@]2(O)CCC[C@H]3CN(Cc4ccc(F)cc4F)C[C@@H]32)c(OCC)n1 72343030 BRZGWDBIKWMXMV-IGCHPXFFSA-N 433.499 3.672 0 40 IHAB Cc1nc([C@@H]2CCCN2C(=O)c2cnccn2)nc2c1CCCN2CCc1ccccc1 72373768 BQGKRJRLLPVPKD-QFIPXVFZSA-N 428.540 3.548 0 40 IHAB COC(=O)C[C@H](c1ccc(OCCc2ccccc2)cc1)c1c(O)nc2ccccn2c1=O 96117156 OQTBTELHFIKACB-OAQYLSRUSA-N 444.487 3.717 0 40 IHAB C[C@@]1(c2cccc3ccccc23)NC(=O)N(Cc2ccc(S(=O)(=O)C(F)F)cc2)C1=O 96989932 BGXKNVFUXXEMAY-QFIPXVFZSA-N 444.459 3.803 0 40 IHAB CCC(=O)N1CCc2c(nc3cc([C@H]4CCCCN4Cc4ccc(C)s4)nn3c2O)C1 100234128 GLEQFXASIAGVGX-HXUWFJFHSA-N 439.585 3.827 0 40 IHAB CC(=O)O[C@H]1C[C@H]2[C@@H]3C[C@@H](OC(C)=O)[C@H]4CC(=O)CC[C@]4(C)[C@H]3[C@H](OC(C)=O)C[C@]2(C)C1 123379092 QWVDWZWSHZMUAY-ZNEZCGDVSA-N 448.556 3.613 0 40 IHAB COc1ccc(NC(=O)CN(c2cccc(OC(C)C)c2)S(C)(=O)=O)cc1Cl 220104755 ZPJOXGIVPYJAJR-UHFFFAOYSA-N 426.922 3.541 0 40 IHAB CCOc1ccc(N([C@@H](CC)C(=O)Nc2cc(Cl)ccc2OC)S(C)(=O)=O)cc1 220668443 CZEIJIBQYJHKJP-SFHVURJKSA-N 440.949 3.931 0 40 IHAB Cc1c(C(=O)NCCSCc2ccc(Cl)cc2)cccc1N(C)S(C)(=O)=O 222429028 JMWREDVUZHMZEF-UHFFFAOYSA-N 426.991 3.707 0 40 IHAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1ccc(F)cc1 222493364 XQAQPJRFXHEQDX-HTAPYJJXSA-N 430.520 3.935 0 40 IHAB Cc1ccc([C@@H](NC(=O)CN(Cc2ccccc2F)S(C)(=O)=O)c2ccccc2)cc1 222585551 IMASGLSUXHMNIW-DEOSSOPVSA-N 440.540 3.802 0 40 IHAB C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1ccc2c(c1)CCCC2 223008232 KUPDHQTYAHCAKK-LAUBAEHRSA-N 444.572 3.983 0 40 IHAB C[C@@H](C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1)N(c1ccccc1)S(C)(=O)=O 223564099 BKJJTQJERRENTD-LBPRGKRZSA-N 436.946 3.652 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCOc1ccccc1C(C)(C)C 223697011 FHEWWJMFAOKLOA-UHFFFAOYSA-N 444.597 3.886 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3cccc(C)c3)cc2)cc1OC 223991487 YFJOGZFPFKKNDD-UHFFFAOYSA-N 440.521 3.743 0 40 IHAB COc1ccc(CCCNC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)cc1OC 224417404 IHPXMKLYYHLOMN-FXBPSFAMSA-N 434.492 3.817 0 40 IHAB Cc1ccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)C(=O)c2ccccc2)c(C)c1 226399716 UBRRSJSTZHOYAV-FRFYXRHDSA-N 426.516 3.961 0 40 IHAB Cc1nc([C@H]2CCN(C(=O)[C@@H](C)c3ccccc3)C2)nc(C)c1CC(=O)N1CCCCC1 257306535 SUQXHWUSODXXQG-AVRDEDQJSA-N 434.584 3.768 0 40 IHAB O=C(C[C@@H]1CCCN(C(=O)Cn2ccc3ccccc32)C1)NCc1ccc2c(c1)CCCO2 257344134 ZVXGUULQDPAKPC-NRFANRHFSA-N 445.563 3.911 0 40 IHAB Cc1cc(C)cc(N([C@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)c1 260455424 OXMATSXYXAFABE-XLIONFOSSA-N 430.570 3.877 0 40 IHAB Cc1nc(CN2CC[C@]3(CN(Cc4ccco4)C[C@H]3c3cn(C(C)C)cn3)C2=O)cs1 306145171 ZZYUBXUSCVRKCT-NZQKXSOJSA-N 439.585 3.840 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCc1ccc(C)cc1)C1CCCCC1 408623481 RFGXICVSOPXULO-UHFFFAOYSA-N 444.597 3.952 0 40 IHAB CCOc1cc(/C=C(\Sc2n[nH]c(-c3cc(OC)cc(OC)c3)n2)C(=O)O)ccc1O 408632796 KNSZRERFUCJAAG-LSCVHKIXSA-N 443.481 3.811 0 40 IHAB Cc1cc(Br)ccc1NC(=O)COC(=O)CCC(=O)Nc1ccc(F)cc1 408646384 AXCXWAIFDKHYRW-UHFFFAOYSA-N 437.265 3.797 0 40 IHAB CCn1c(CNC(=O)c2ccccc2C)nnc1SCC(=O)Nc1cc(C)cc(C)c1 409057394 PGBRJIPIGNYOGR-UHFFFAOYSA-N 437.569 3.884 0 40 IHAB Cc1cc(C)c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)c(C)c1 409140501 FBEAAMCOCZOZBM-LJQANCHMSA-N 438.524 3.934 0 40 IHAB Cc1cccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3cccc(C)c3C)n2C)c1 409141766 KALJBUUYUGMFIK-KRWDZBQOSA-N 437.569 3.962 0 40 IHAB CCCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc1 409153995 JILSPJIQMBXDPJ-GRSHGNNSSA-N 440.477 3.879 0 40 IHAB O=C(CN1C(=O)S/C(=C\c2cc(Cl)ccc2O)C1=O)N1CCc2ccccc2C1 409383409 URQILRZTDSDLAS-ZDLGFXPLSA-N 428.897 3.667 0 40 IHAB CCN1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)CC1 409410395 WIXPVBGSNZZUQE-UHFFFAOYSA-N 435.977 3.535 0 40 IHAB CCOc1ccc2ccccc2c1C(=O)Nc1cc2c(cc1C)N(C)S(=O)(=O)N2C 575611929 IODNPTBRQAOEIK-UHFFFAOYSA-N 425.510 3.930 0 40 IHAB CCN1CCC(N2CCOCCOc3ccc(C(=O)O)cc3Cc3cccc(c3)C2)CC1 643583169 TZJAYLNXIYVNGL-UHFFFAOYSA-N 438.568 3.671 0 40 IHAB COc1cccc(OC)c1C(=O)N1CCO[C@H](c2cccc(Nc3ncc(C)s3)n2)C1 2037834453 GFEAKTPPZJDISC-SFHVURJKSA-N 440.525 3.821 0 40 IHAB CCCCCC(=O)N1CCC[C@@](COc2ccc(F)cc2)(CC(=O)N2CCN(C)CC2)C1 2037905429 DNNAUTJEQBRIHE-RUZDIDTESA-N 447.595 3.558 0 40 IHAB O=C([C@@H]1C[C@H]1c1ccc(Cl)cc1)N1CC[C@H]2C[C@H](CN3CC4(CCCCO4)C3)O[C@H]2C1 2056225839 CTDHASZEJCHPEF-VTSJOCERSA-N 445.003 3.704 0 40 IHAB Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NCc4cnn(C)c4C)cc3N2)cc1 674146 KKBHQYXTBAZPTB-FUHWJXTLSA-N 432.450 3.824 0 40 IHAB COc1cc(-c2nnc(SCC(=O)Nc3c(C)cccc3C)n2C)cc(OC)c1OC 874144 UHNVXVHWRYYJMQ-UHFFFAOYSA-N 442.541 3.856 0 40 IHAB COc1ccc2c(c1)cc(C)c1nnc(SCC(=O)Nc3ccc(NC(C)=O)cc3)n12 928496 XGRLKIWYIWQNEP-UHFFFAOYSA-N 435.509 3.889 0 40 IHAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)n1 945116 HDSWLOXMRRHOBF-UHFFFAOYSA-N 447.314 3.601 0 40 IHAB Cc1cccc2cc([C@@H](c3nnnn3Cc3ccccc3)N3CCC[C@@H](C)C3)c(=O)[nH]c12 1224713 KMMHPQZWBZFJDY-HXOBKFHXSA-N 428.540 3.693 0 40 IHAB CCC(CC)C(=O)Nc1ncc2c(n1)C[C@@H](c1cc(OC)c(OC)c(OC)c1)CC2=O 2333636 BLDGYPGCAMDUIE-CQSZACIVSA-N 427.501 3.790 0 40 IHAB O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)NCc1ccc2c(c1)OCO2 3596379 DCXSKRAZJVXNPA-UHFFFAOYSA-N 448.504 3.724 0 40 IHAB CCC(C)(C)NC(=O)[C@@H](c1ccccc1F)N(Cc1ccco1)C(=O)c1csnn1 4388560 QIPCIAAMKPMFMU-GOSISDBHSA-N 430.505 3.959 0 40 IHAB C[C@H](OC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)C(=O)NCCC1=CCCCC1 4790483 DXBSLMSAYLEGQO-KRWDZBQOSA-N 430.520 3.616 0 40 IHAB Nc1ccc2c(c1)Cc1c-2cc(I)c(O)c1I 4823724 QEJUEWVPNOTNMU-UHFFFAOYSA-N 449.029 3.755 0 40 IHAB Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)N3CCC(C)CC3)cc2c1 6409286 CMQRRZJWTOQITM-HSZRJFAPSA-N 446.530 3.832 0 40 IHAB COc1ccc(-c2cc(-c3nc(-c4cc(OC)c(OC)c(OC)c4)no3)[nH]n2)c(OC)c1 8603007 NNGVKZQIPMHMAY-UHFFFAOYSA-N 438.440 3.837 0 40 IHAB CC[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1 8612282 BYZMCABVSZHHKO-KRWDZBQOSA-N 440.521 3.999 0 40 IHAB COc1ccc(OC)c(NC(=O)COc2ccc(C(=O)Nc3ccccc3OC)cc2)c1 8717309 XIPUBHMJFAIUQC-UHFFFAOYSA-N 436.464 3.982 0 40 IHAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccccc2)cc1 8840624 GDJVBXWKOQQAIH-UHFFFAOYSA-N 449.532 3.925 0 40 IHAB Cc1cc(C(=O)CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)c(C)n1CCc1ccccc1 9054557 FCGDKBRWKBKZHD-QHCPKHFHSA-N 429.520 3.693 0 40 IHAB NS(=O)(=O)c1ccc(NC(=O)CSc2nc3ccccc3n2C2CCCCC2)cc1 9126758 IACQZLOEWAQYFE-UHFFFAOYSA-N 444.582 3.920 0 40 IHAB O=C(Nc1nc2c(s1)CC[C@@H]2C(=O)Nc1ccc2c(c1)OCO2)c1ccc(F)cc1 9131647 UKEJXXUJSNMWTK-AWEZNQCLSA-N 425.441 3.932 0 40 IHAB COc1ccc(Br)cc1CN(C)C(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 9156488 XRUNMXNEEJSOPC-CQSZACIVSA-N 435.293 3.608 0 40 IHAB CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2nc3c(C)cccc3s2)cc1 9224001 UIDVPTGRHWOBOO-UHFFFAOYSA-N 445.566 3.847 0 40 IHAB COc1ccc(NC(=O)CCOc2ccc(C)cc2)cc1S(=O)(=O)N1CCCCC1 9463197 VDYMSCCUNFHPKL-UHFFFAOYSA-N 432.542 3.586 0 40 IHAB O=C(NCc1ccco1)[C@@H](C(=O)c1cccc(Br)c1)n1cc(Cl)ccc1=O 9601246 ITRGMLCARBIONI-QGZVFWFLSA-N 449.688 3.598 0 40 IHAB Cc1cccc(NC(=O)CNC(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)c1C 9765654 ZFEIGFQEHRQEJG-UHFFFAOYSA-N 439.519 3.979 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(NC(=O)c2cc(=O)c3ccccc3o2)ccc1Cl 9957216 PDDJQCZVTUTSTC-UHFFFAOYSA-N 434.901 3.729 0 40 IHAB Cc1cccc(N2CCCn3c2nc2c3c(=O)n(CCCc3ccccc3)c(=O)n2C)c1C 10104920 PSRPDCXPYBHLTE-UHFFFAOYSA-N 443.551 3.688 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCCc1ccc(C)cc1 10110575 ZEZLULZDXNPFBJ-UHFFFAOYSA-N 430.570 3.541 0 40 IHAB CSc1cccc(N2C[C@@H](C(=O)OCc3cc(=O)oc4c(C)c(O)ccc34)CC2=O)c1 10264968 WPXNKTZPTUVNKN-AWEZNQCLSA-N 439.489 3.625 0 40 IHAB CCOC(=O)c1c(NC(=O)[C@H](C)Sc2ncnc3c2cnn3C)sc2c1CCCC2 11678056 ZZWIVLZKIWBINX-NSHDSACASA-N 445.570 3.600 0 40 IHAB CC[C@H](Oc1cccc(OC)c1)C(=O)N1CCC(c2nc(O)cc(-c3ccccn3)n2)CC1 12241590 OEYMSKFHSOWSAW-QFIPXVFZSA-N 448.523 3.816 0 40 IHAB COc1ccc(C)cc1NC(=O)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1 12248770 ZQGCRGMAUCOBHV-UHFFFAOYSA-N 445.497 3.810 0 40 IHAB Cn1ccnc1[C@H](NC(=O)c1ccccc1I)c1ccc(F)cc1 12559418 HSEUBZLDKKSFLI-MRXNPFEDSA-N 435.240 3.683 0 40 IHAB COc1cc(C(=O)N2CCN(C[C@H]3CCCO3)CC2)ccc1OCc1ccccc1Cl 12568903 ZQXJXPWQPUWSNI-HXUWFJFHSA-N 444.959 3.864 0 40 IHAB COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CC(C)C)CC(=O)N32)c1OC 12861001 MZPCVNWTOHXARC-GBXCKJPGSA-N 447.535 3.526 0 40 IHAB biogenic O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)[C@@H]1CC(=O)N(Cc2ccco2)C1 12924043 CJZXHIIXUYGCDC-HXUWFJFHSA-N 440.503 3.797 0 40 IHAB CCCN(Cn1nc(Nc2ccccc2Cl)sc1=S)[C@H]1CCS(=O)(=O)C1 12924442 CDSDFFNEIYIYSC-LBPRGKRZSA-N 433.024 3.928 0 40 IHAB C[C@@H](Oc1ccc(F)cc1)c1nnc(SCc2cccc(S(=O)(=O)N(C)C)c2)o1 12939429 HHHDIFZAHZXOQI-CYBMUJFWSA-N 437.518 3.891 0 40 IHAB COC(=O)c1cccc(S(=O)(=O)N(Cc2cccs2)Cc2ccccc2OC)c1 13001712 QOLWQQRGFUZNJG-UHFFFAOYSA-N 431.535 3.934 0 40 IHAB COC(=O)C[C@@H](NS(=O)(=O)c1cc(C)ccc1C)c1ccc(Br)cc1 15361856 GXXDWXTZNPSJRT-MRXNPFEDSA-N 426.332 3.649 0 40 IHAB COc1ccc(S(=O)(=O)[C@H](CNC(=O)COc2ccc(Cl)cc2)c2ccco2)cc1 15781101 IPBVBPRGUNIYOY-HXUWFJFHSA-N 449.912 3.652 0 40 IHAB Cc1ccc(S(=O)(=O)NCCc2csc3nc(-c4ccccc4C)nn23)c(C)c1 15783883 KJDYJGGTFDLMAJ-UHFFFAOYSA-N 426.567 3.904 0 40 IHAB COc1ccc(-c2noc(Cn3ccn4nc(-c5ccc(Cl)cc5)cc4c3=O)n2)cc1 16842703 AJAFURVMIQHIEJ-UHFFFAOYSA-N 433.855 3.923 0 40 IHAB O=c1ccc(-c2ccc(F)cc2)nn1Cc1nc(-c2ccc(Br)cc2)no1 16845628 LTNKGHWRYQBJNU-UHFFFAOYSA-N 427.233 3.910 0 40 IHAB CN1C(=O)[C@@](O)(CC(=O)c2cccc(Br)c2)c2cc(Br)ccc21 17083434 KUDQLXJUAJBHFS-QGZVFWFLSA-N 439.103 3.649 0 40 IHAB COc1cc(CN(C(=O)C(Cl)(Cl)Cl)C2CCCCC2)ccc1OCC(N)=O 17101698 DMYJWSQSKOJSLD-UHFFFAOYSA-N 437.751 3.591 0 40 IHAB Cc1onc(-c2cccnc2)c1C(=O)NCCn1nc(-c2ccccc2F)cc1CN(C)C 19579721 FKUBJQOXAOXKIP-UHFFFAOYSA-N 448.502 3.539 0 40 IHAB NC(=O)c1sc2ncccc2c1[C@@H]1CCN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)C1 19702252 HOIHLVZFXHDSNG-CYBMUJFWSA-N 435.484 3.554 0 40 IHAB O=C(COc1ccc(F)cc1F)N1CC[C@H](c2cc(COc3cccc(F)c3)[nH]n2)C1 19704652 BBTKVMSTCXSZAZ-AWEZNQCLSA-N 431.414 3.801 0 40 IHAB CCCc1nc2oc3c(NCCCN4CCOCC4)ncnc3c2c2c1COC(C)(C)C2 20503971 UVQKXLGPVZXEOS-UHFFFAOYSA-N 439.560 3.709 0 40 IHAB O=C(CN1N=C(c2ccccc2)c2ccccc2S1(=O)=O)Nc1ccc(Cl)cc1 21942398 WUBQEMDDAGLABT-UHFFFAOYSA-N 425.897 3.735 0 40 IHAB Cc1ccc(N(CC(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)Cc2ccccc2)cc1 23013961 KUYQOZXLEALNEP-LJQANCHMSA-N 437.565 3.526 0 40 IHAB O=C(Cn1nc(-c2ccccc2)c2sc(N3CCCC3)nc2c1=O)NC1CCCCC1 23108753 MURVVISCOFMSRU-UHFFFAOYSA-N 437.569 3.569 0 40 IHAB O=C(CN1CCOCC1)Nc1ccc(NC(=O)c2ccccc2Cc2ccccc2)cc1 23324894 PXITULHHKOQPCB-UHFFFAOYSA-N 429.520 3.800 0 40 IHAB O=S(=O)(CCN1CCC([C@@H](O)c2ccccc2)CC1)c1ccc(Br)cc1 26118047 VQTWGLCVOJXHBF-FQEVSTJZSA-N 438.387 3.668 0 40 IHAB COc1ccc(NC(=O)c2cc(Cl)cn2C)cc1NS(=O)(=O)c1ccc(F)cc1 26810226 DCZDREASPCUBKE-UHFFFAOYSA-N 437.880 3.879 0 40 IHAB Cc1ccc(C(=O)Cn2c(=O)nc(-c3ccccc3)c3nc(N4CCOCC4)sc32)cc1 32615699 LKBSPMIRHCVGPJ-UHFFFAOYSA-N 446.532 3.548 0 40 IHAB COc1ccc(-c2noc(CN3C[C@H](C(=O)N4CCCCC4)Oc4ccccc43)n2)cc1 32764707 OGACYHLUHDGPLM-OAQYLSRUSA-N 434.496 3.525 0 40 IHAB CN(Cc1nnc2n1CCCCC2)C(=O)c1csc(COc2ccc(Cl)cc2)n1 32786755 VLSDUYKNNCDWMC-UHFFFAOYSA-N 431.949 3.966 0 40 IHAB COc1cc(N2C[C@@H](C(=O)Oc3cccc(Cl)c3Cl)CC2=O)cc(OC)c1OC 32796426 YIRLDDKSKOSENI-NSHDSACASA-N 440.279 3.978 0 40 IHAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)cs1 32837603 ZSYCTEVZUVXRCW-UHFFFAOYSA-N 436.468 3.664 0 40 IHAB C[C@@H](Sc1nnc(-c2cccs2)n1CCC(N)=O)C(=O)Nc1ccc(Cl)cc1 32895054 QZRKJQNUKRQHHC-LLVKDONJSA-N 435.962 3.655 0 40 IHAB CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(Cl)c1OCC 33735697 DCSBCASHAVTZAO-DHDCSXOGSA-N 448.859 3.610 0 40 IHAB COc1ccc(OC)c(NC(=O)CSc2nnc3c(n2)[nH]c2ccc(Cl)cc23)c1 35290806 IVAGMKUYJVUCAB-UHFFFAOYSA-N 429.889 3.908 0 40 IHAB CCCC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1cc2cc(OC)ccc2[nH]c1=O 35313418 HZHDMCCXDKQYCX-XMMPIXPASA-N 436.508 3.828 0 40 IHAB Cc1ccc(NC(=O)[C@H](C)Oc2ccccc2)c(OCc2cc(=O)n3oc(C)cc3n2)c1 35448216 AMCMNCVCCSXVQG-KRWDZBQOSA-N 433.464 3.889 0 40 IHAB CC[C@H](C)NC(=O)Cn1c(-c2ccc(F)cc2)nc2c(c1=O)CCN(Cc1ccccc1)C2 35456558 ZZPJTQZPPLHDQR-SFHVURJKSA-N 448.542 3.522 0 40 IHAB O=C(Cn1ccc2c(Cl)cccc21)NCCSCc1nc2ccccc2c(=O)[nH]1 35686384 BAGPSTLLNQNCHJ-UHFFFAOYSA-N 426.929 3.581 0 40 IHAB CCOC(=O)N1CCC(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)CC1 40144697 HXNDCMRHEVRSDZ-UHFFFAOYSA-N 427.549 3.723 0 40 IHAB C[C@@H](C(=O)Nc1ccc(NC(=O)NCc2cccnc2OC2CCCC2)cc1)n1cncn1 48332223 VMIGVDXOQJDFEK-INIZCTEOSA-N 449.515 3.516 0 40 IHAB Cc1c(C(=O)N(C)C)sc2[nH]c(=O)c(C(=O)Nc3ccc(Cl)c(Cl)c3)c(O)c12 49008051 ZVPBTWBGGIVLMM-UHFFFAOYSA-N 440.308 3.865 0 40 IHAB CC(C)(NC(=O)c1nc(S(C)(=O)=O)n2ccccc12)c1ccc(Cl)c(Cl)c1 60247422 FDRLSNZDVWUBRY-UHFFFAOYSA-N 426.325 3.710 0 40 IHAB CCOc1ccc(C(=O)OCC(=O)NCc2ccccc2Br)cc1OCC 67197652 LXPPCUYPUMIYPT-UHFFFAOYSA-N 436.302 3.720 0 40 IHAB CCCCOCCN(C(=O)[C@@H](C)S(=O)(=O)C(C)C)c1ccc(Br)cc1 72288264 COBXUKHXBXZYAI-OAHLLOKOSA-N 434.396 3.811 0 40 IHAB NC(=O)c1ccc(-c2cnc(N)nc2[C@@H]2CCCN(C(=O)CCCc3ccccc3)C2)cc1 72346237 UPVIVEIXPDQCOE-OAQYLSRUSA-N 443.551 3.554 0 40 IHAB Cc1nn(C)cc1S(=O)(=O)N1CCC[C@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1 72350165 RIEAIZSOPMGNFQ-SFHVURJKSA-N 444.988 3.936 0 40 IHAB COc1ccc(OC)c(-c2cc(C(=O)Nc3ccc4c(c3)N(C(=O)C3CC3)CC4)n(C)n2)c1 77200752 XKHXHZFRPHUNKJ-UHFFFAOYSA-N 446.507 3.656 0 40 IHAB C[C@@H](NC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1)C(=O)O 80350425 FFBFBSYSVPRTOI-CQSZACIVSA-N 425.916 3.914 0 40 IHAB Cc1nc(-c2cccs2)sc1CNC(=O)C[C@H]1CSc2nc(C)c(C)c(=O)n21 90592777 VNUCILQILAQOND-ZDUSSCGKSA-N 432.596 3.707 0 40 IHAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCCSC[C@@H]1CN1CCOCC1 90609111 ISLJMLGUOLGYGM-INIZCTEOSA-N 435.977 3.583 0 40 IHAB Cc1ccc(CN2CCCC[C@H]2c2cc3nc4c(c(O)n3n2)CN(C(=O)C2CC2)CC4)cc1 100243229 IDLDANCFJBZFNC-QHCPKHFHSA-N 445.567 3.765 0 40 IHAB COc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)Nc3ccc4[nH]ccc4c3)CC2)cc1 100979504 KRUHDNOAMHXOCF-CALCHBBNSA-N 441.553 3.900 0 40 IHAB COC(=O)c1ccccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)o1 205782982 QMFUSCNUYBTCTR-LICLKQGHSA-N 429.450 3.721 0 40 IHAB CC(=O)c1ccc(N2CCN([C@H]3CC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)CC2)cc1 215725634 MXOQXRIZWDRRPH-FQEVSTJZSA-N 446.334 3.650 0 40 IHAB COc1ccc(N([C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)S(C)(=O)=O)cc1OC 220235827 AYJQDVUXCHFUGC-GFCCVEGCSA-N 446.447 3.516 0 40 IHAB CC[C@@H](C(=O)NCCCc1ccccc1OC)N(c1cc(C)ccc1C)S(C)(=O)=O 220548250 JFJAPJXWUOIDCN-FQEVSTJZSA-N 432.586 3.606 0 40 IHAB CCOc1ccc(N([C@H](CC)C(=O)N[C@@H]2CCCc3ccccc32)S(C)(=O)=O)cc1 220679014 SIZBXLKLMNXQQM-FGZHOGPDSA-N 430.570 3.824 0 40 IHAB COC(=O)c1cn(C(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c2ccccc12 222586022 QLDBQTWYMDPQLA-UHFFFAOYSA-N 448.500 3.942 0 40 IHAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)COc1cc(OC)cc(OC)c1 222642565 NGPVZBDWMBNWHW-JOCHJYFZSA-N 446.519 3.554 0 40 IHAB CC[C@H](C(=O)NCc1ccc2ccccc2c1)N(c1cccc(OC)c1)S(C)(=O)=O 222808446 MIQGNSUSSVSMGG-JOCHJYFZSA-N 426.538 3.709 0 40 IHAB COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(O)cc1 223732625 XXFCQYAMTNUUDR-FCHUYYIVSA-N 436.537 3.504 0 40 IHAB COc1ccccc1OC[C@@H](C)NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 224026336 PMZJSUWQGQYYEX-QGZVFWFLSA-N 440.521 3.693 0 40 IHAB CCN(Cc1ccc(C(=O)NCc2ccccc2)cc1)S(=O)(=O)c1ccc(OC)cc1 224464181 KALMKSJDVHSRCC-UHFFFAOYSA-N 438.549 3.836 0 40 IHAB Cc1ccc(Cc2cc(C)nc([C@H]3CN(C(=O)CN4CCCCCC4=O)CCO3)c2)cc1 257293798 QREUORBRCDKYNN-XMMPIXPASA-N 435.568 3.592 0 40 IHAB Cc1cc(C)cc(-c2ccc(CC3(C(=O)NCCN4CCOCC4)CCOCC3)cc2)c1 257319404 VSHOOGOWHXEHJJ-UHFFFAOYSA-N 436.596 3.758 0 40 IHAB COc1cc2c(cc1CN1CCC[C@@H](c3cccc(Nc4cnccn4)n3)C1)OCCO2 257337615 YTOLMGHXJNSZJN-QGZVFWFLSA-N 433.512 3.775 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)NCCC(C)C)Cc1ccccc1 408620029 IXFFYDYIPLQBSC-UHFFFAOYSA-N 438.977 3.702 0 40 IHAB COC(=O)c1ccc(NCN2C(=O)S/C(=C/c3ccc(OC)c(OC)c3)C2=O)cc1 408727719 RQWXZZBAKMLENS-WOJGMQOQSA-N 428.466 3.596 0 40 IHAB CCn1c(CNC(=O)c2ccccc2C)nnc1SCC(=O)Nc1cc(F)ccc1C 409061409 WZJREVZDIMQKOX-UHFFFAOYSA-N 441.532 3.715 0 40 IHAB CCOc1ccccc1N(CC(=O)NCCCOC(C)C)S(=O)(=O)c1ccc(C)cc1 409331524 DNPVMDKEPYKETP-UHFFFAOYSA-N 448.585 3.520 0 40 IHAB Cc1cc(O)nc(C(=O)N[C@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)c1 556391215 YZEBCRVHTASIIA-HXUWFJFHSA-N 430.913 3.672 0 40 IHAB CCc1nnc(Nc2cc([C@@H]3CCCN3C(=O)/C=C/c3csc(C)n3)nc(C)n2)s1 585290464 BOZMYWIVMJTWAC-WAVCKPEOSA-N 441.586 4.084 0 40 IHAB Cc1sc(Br)cc1S(=O)(=O)NC[C@H](O)c1cccc2ccccc12 1192396442 MUHKRGSGCWYVFD-HNNXBMFYSA-N 426.357 3.984 0 40 IHAB C[C@H]1OC2(C[C@@H]3CC[C@H](C2)N3c2ncc(C(F)(F)F)cc2Br)CN(C)C1=O 1888863523 LCLPRFFTHMCAKY-XODPVKTHSA-N 448.283 3.610 0 40 IHAB O=C(N[C@]1(C(F)(F)F)N=C(O)N(Cc2ccccc2)C1=O)c1cccc(C(F)(F)F)c1 2413099 MPFZGPWAVMEACJ-KRWDZBQOSA-N 445.319 3.650 0 40 IHAB CCOC(=O)c1c(NC(=O)COC(=O)c2nc(Cl)ccc2Cl)sc2c1CCC2 2635683 ZBBMHHKXYSUQON-UHFFFAOYSA-N 443.308 3.911 0 40 IHAB 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440.565 3.971 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCCN3C[C@@H](C)C[C@@H](C)C3)cc2)cc1 10112642 UKTKBKNFYVACGH-BGYRXZFFSA-N 443.613 3.894 0 40 IHAB COCCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1 10213067 FKBVWVWWFIWKLO-UHFFFAOYSA-N 440.521 3.964 0 40 IHAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 10228644 ZHPHUFCYGXRIDZ-MRXNPFEDSA-N 439.523 3.890 0 40 IHAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)N1CCC(c2c[nH]c3ccccc23)CC1 10589216 LYBUKQLCESNJBN-UHFFFAOYSA-N 440.569 3.507 0 40 IHAB CC[C@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)c1ccc(OC2CSC2)cc1 12182424 HDFDQSAWMDSIKP-MRXNPFEDSA-N 441.578 3.675 0 40 IHAB COc1ccc(NC(=O)C2CCC2)cc1S(=O)(=O)Nc1ccc(Br)cc1 12526355 VVDARIQXZDHCOE-UHFFFAOYSA-N 439.331 3.997 0 40 IHAB O=C1C[C@H](C(F)(F)F)N(C(=O)CSc2nncn2-c2ccccc2)c2ccccc2N1 12526875 MVHVXEGOIWVJPO-MRXNPFEDSA-N 447.442 3.666 0 40 IHAB C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCN(c2cccc(C(F)(F)F)c2)CC1 12549913 KQTLASXLCDOGMH-HNNXBMFYSA-N 435.446 3.626 0 40 IHAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nncn2-c2ccc(OC)cc2)c1C 12557805 CASGMESKMHQBLL-AWEZNQCLSA-N 428.514 3.761 0 40 IHAB CCOc1ccc(OCC)c(NC(=O)CN2CCC(n3nnc4cc(F)ccc43)CC2)c1 12640689 LRUQYFUCYQWQTG-UHFFFAOYSA-N 441.507 3.643 0 40 IHAB CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)Nc1ccc(Br)c(C)c1 12767286 FAIWPXHCRPNODE-NRFANRHFSA-N 442.313 3.695 0 40 IHAB Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 13029149 KKPNRFGAHIFCRM-MRXNPFEDSA-N 438.505 3.985 0 40 IHAB C[C@H]1CN(C(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccc(F)cc2)C[C@@H](C)O1 13097549 BFZGQKWDVSFDEN-GASCZTMLSA-N 444.507 3.940 0 40 IHAB COc1ccc(-c2cc(NC(=O)CCN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)ccc2OC)cc1 13118080 RRZYVUZVESALFK-WOJBJXKFSA-N 434.492 3.651 0 40 IHAB CCCCN(C(=O)CNC(=O)c1ccco1)[C@H](C(=O)NC1CCCCC1)c1cccs1 13507683 RWAGOFLZVOBCHZ-NRFANRHFSA-N 445.585 3.890 0 40 IHAB C[C@@H](NC(=O)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1)c1ccccc1 13678351 BWELCEWXOZCUDL-JPYJTQIMSA-N 436.533 3.661 0 40 IHAB COc1ccc(S(=O)(=O)NCCSc2ccc(Cl)cc2)cc1C(=O)NC(C)C 13678591 ZRQULOSDUGNZOZ-UHFFFAOYSA-N 442.990 3.557 0 40 IHAB CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 14117108 ZWYPTEPVUHRMLF-UXHICEINSA-N 443.613 3.842 0 40 IHAB CN1CCN(c2ccc(Cl)cc2NC(=O)CCc2nc(-c3ccc(F)cc3)no2)CC1 14671270 AIWJQVAMNWXKAR-UHFFFAOYSA-N 443.910 3.852 0 40 IHAB COc1ccc(NC(C)=O)cc1NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 14793391 PWXQHTHNRSHHHH-UHFFFAOYSA-N 442.475 3.664 0 40 IHAB CC(=O)Nc1ccc(C(=O)OCc2cc(=O)n3nc(C4CCCCC4)sc3n2)cc1 15772079 JYXHIPXANGVZFO-UHFFFAOYSA-N 426.498 3.514 0 40 IHAB COc1cn(CC(=O)Nc2cc(C)ccc2C)c(CSc2nnc(C)s2)cc1=O 15883859 JNIXUOFTHXSSAO-UHFFFAOYSA-N 430.555 3.565 0 40 IHAB COc1ccc(NC(=O)c2nnn(Cc3nc(-c4ccccc4)oc3C)c2C)c(OC)c1 16991730 GZKMAVOAVWHMPN-UHFFFAOYSA-N 433.468 3.868 0 40 IHAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2cc(Cl)c3c(c2)OCCCO3)c1 17336749 INJHTZXOHDSWBE-UHFFFAOYSA-N 438.933 3.784 0 40 IHAB CC(C)NC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)[C@@H]2CCCO2)C1 19449169 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CCc1ccccc1-n1cnnc1SCC(=O)N(C)CC(=O)Nc1cccc(C)c1C 24863965 ADOYQVZMYZPHNS-UHFFFAOYSA-N 437.569 3.636 0 40 IHAB Cc1nc2ccc(NC(=O)c3ccccc3SC[C@]3(C)NC(=O)NC3=O)cc2s1 24974055 RGVBSCTZOXYFCS-FQEVSTJZSA-N 426.523 3.547 0 40 IHAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1 25139775 ONYFBWKDGMWGJD-GOSISDBHSA-N 447.583 3.621 0 40 IHAB NC(=O)[C@@H](Sc1nc(O)c2cnn(-c3cccc(Cl)c3)c2n1)c1ccc(F)cc1 26430569 UCWDWWPQRLKEDM-HNNXBMFYSA-N 429.864 3.632 0 40 IHAB O=C(C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)N1CCC[C@@H]1c1cccnc1 31942069 IHDWMBWAQDTWKT-XMMPIXPASA-N 449.576 3.999 0 40 IHAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)CC(=O)N(C)Cc1c(F)cccc1Cl 32754427 YTWHMKFSJLNHAA-CQSZACIVSA-N 426.941 3.534 0 40 IHAB C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)Cc1csc(-c2ccccc2)n1 32796921 WTWXCFSDWZRZPB-AWEZNQCLSA-N 444.534 3.523 0 40 IHAB COc1ccc(S(=O)(=O)NCc2cccnc2)cc1-c1noc(C2CCCCC2)n1 33318140 SFMOCMRKOQQKET-UHFFFAOYSA-N 428.514 3.666 0 40 IHAB O=C(CN1CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1)N1CCCCC1 35388124 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CCc1ccc(-c2noc(Cn3c(=O)n(Cc4ccccc4)c(=O)c4sccc43)n2)cc1 48985917 SLMYOEHNLVTGMH-UHFFFAOYSA-N 444.516 3.934 0 40 IHAB Cc1cc(C)cc(NC(=O)c2cn(CC(=O)NC3CCCC3)c3nc(C)ccc3c2=O)c1 49002184 XJCLLQZHYNLTIN-UHFFFAOYSA-N 432.524 3.633 0 40 IHAB NC(=O)C1CCN(c2ccc(NC(=O)/C=C/c3ccccc3Br)cc2)CC1 58289902 RBNAMRCGSFQRKM-BJMVGYQFSA-N 428.330 3.803 0 40 IHAB O=C(COC(=O)COc1ccc(Cl)cc1Cl)NCc1ccccc1Br 72330847 GBCBYNWOPBXSSH-UHFFFAOYSA-N 447.112 3.994 0 40 IHAB O=C(CCn1ncc2ccccc21)N1CCC[C@@H](n2nc(-c3cccs3)ccc2=O)C1 72334929 FELJCSFZSWWJCQ-GOSISDBHSA-N 433.537 3.575 0 40 IHAB CC(C)Oc1ccc(CN2CCN(c3c(F)cccc3[C@@H](O)c3nccn3C)CC2)cc1 72340596 FIADGAUJDCZUJC-XMMPIXPASA-N 438.547 3.750 0 40 IHAB COC(=O)c1ccc(C(=O)N2CCC[C@@H](c3cc(C(F)(F)F)n4nc(C)cc4n3)C2)cc1 72340936 WCYKYFQGVHXASI-MRXNPFEDSA-N 446.429 3.863 0 40 IHAB COc1ncc([C@]2(O)CC[C@H]3CN(Cc4cccc(OC5CCCC5)c4)C[C@H]32)c(OC)n1 72392630 OALFEPWWQCBAPU-QRJOEMBSSA-N 439.556 3.545 0 40 IHAB COc1ccc2c(c1)CN(C(=O)Nc1cccc(C[S@@](=O)C3CCOCC3)c1)CC2 78814046 JGHAFTOSOQNFRJ-PMERELPUSA-N 428.554 3.713 0 40 IHAB COc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)c3ccccc3OC)cc2)cc1 89365293 QTMZTSACZUTUDF-UHFFFAOYSA-N 427.478 3.748 0 40 IHAB O=C1N/C(=N/c2ccc(Cl)c(C(=O)O)c2)S/C1=C/c1cc2c(cc1[N+](=O)[O-])OCO2 96193957 QJPHOZAEZDCLEZ-SYZQJQIISA-N 447.812 3.567 0 40 IHAB COc1ccc(S(=O)(=O)C2CN(C(=O)CC(c3ccccc3)c3ccccc3)C2)cc1 96378069 FKAKJHIKDCMOER-UHFFFAOYSA-N 435.545 3.902 0 40 IHAB N[C@H](C(=O)NC[C@H]1CC[C@H](c2ccnc(Nc3ccc(F)cn3)n2)CC1)c1ccccc1 100708860 DCLRZWISRJFEIB-JKSBSHDWSA-N 434.519 3.844 0 40 IHAB CCn1/c(=N/C(=O)CSCC(=O)N2CCCc3ccccc32)sc2ccccc21 100825478 DYHPVJMKVKZUQA-FCQUAONHSA-N 425.579 3.863 0 40 IHAB CCOc1cc([C@@H]2N=C(Nc3ccc(Cl)cc3)Nc3nc(C)cc(=O)n32)ccc1O 101419318 UZIJNHOCDQSOTR-LJQANCHMSA-N 425.876 3.750 0 40 IHAB O=C(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)NCc1ccc(N2CCOCC2)nc1 102645424 KEKIMSBLHQZEFS-NFAVZRQZSA-N 448.405 3.658 0 40 IHAB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)ccc1OC(F)F 106711380 MJSMRFHREILRHX-YBEGLDIGSA-N 434.420 3.972 0 40 IHAB C[C@H](C(=O)Nc1ccc(Br)cc1Br)N1CCC[C@@H](CC(=O)O)C1 107528564 RYNIUVHBZYNNGX-MNOVXSKESA-N 448.155 3.725 0 40 IHAB CC1(C)C[C@H]2C[C@@](C)(CN2[C@@H](C(=O)O)c2c[nH]c3cc(NC(=O)/C=C/C(=O)O)ccc23)C1 107977347 OGOIDEGCILKTIU-LSQNTNRSSA-N 439.512 3.774 0 40 IHAB Cc1ccc(NC(=O)CSc2nnc([C@H](C)NC(=O)c3ccccc3F)n2C)cc1C 108236430 NIPHUDLYLTVLKN-HNNXBMFYSA-N 441.532 3.793 0 40 IHAB CN1c2ccccc2C(c2ccccc2)=C(C(=O)NCCCc2ccccc2)S1(=O)=O 219181795 NVZRZORMOOXZEF-UHFFFAOYSA-N 432.545 3.975 0 40 IHAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1F 223627284 FPYBKRBQROZSAG-FQEVSTJZSA-N 430.520 3.935 0 40 IHAB CCc1ccc(N([C@@H](C)C(=O)NCCOc2ccc3ccccc3c2)S(C)(=O)=O)cc1 223631242 OGYVLHDQSZGQFF-SFHVURJKSA-N 440.565 3.752 0 40 IHAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc(OC)cc1 223834150 PMOYCEKDZBUQHN-CQSZACIVSA-N 439.339 3.934 0 40 IHAB CCOC(=O)c1ccc(C)c(NS(=O)(=O)c2cc(Br)ccc2OC)c1 223973158 JIOSZKUYELCSPJ-UHFFFAOYSA-N 428.304 3.744 0 40 IHAB CCc1ccc(OCCNC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)cc1 224237574 ZFKALSIUDHNHHH-UHFFFAOYSA-N 444.578 3.944 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NCc3cccc(F)c3)cc2)cc1 224518583 ZEGRCUNGBRLRNE-UHFFFAOYSA-N 426.513 3.885 0 40 IHAB CCC(=O)N1CCc2cc(S(=O)(=O)NCCSCc3ccc(Cl)cc3)ccc21 225746892 ICPRGEMAWPNQHT-UHFFFAOYSA-N 439.002 3.851 0 40 IHAB Cc1n[nH]c(SCCNC(=O)[C@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)n1 225910035 GAUSLUSGMUTCOW-ZDUSSCGKSA-N 428.389 3.540 0 40 IHAB Cc1ccnc(C)c1C(=O)N1CCC(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1 252478947 AXTWLXDSPCNKNR-UHFFFAOYSA-N 447.505 3.539 0 40 IHAB CN(C)C(=O)c1sc2nccnc2c1[C@@H]1CCN(C(=O)c2cnc3ccccc3c2)C1 257248425 JDQULBYUXOSWSC-OAHLLOKOSA-N 431.521 3.571 0 40 IHAB O=C(c1ccccc1CN1CCOCC1)N1CCC[C@H](Cc2cccn3ccnc23)CC1 257277950 OADFBQYJVMFBPK-NRFANRHFSA-N 432.568 3.652 0 40 IHAB O=C(c1cccc(Cn2ccnc2)c1)N1CCC[C@]2(C[C@@H](Oc3ccccc3F)CO2)C1 257308364 TWMACZQFNDONMD-BWKNWUBXSA-N 435.499 3.913 0 40 IHAB CCCc1cc(C(=O)N2CCC[C@@H](c3n[nH]cc3C(=O)N(C)Cc3ccccc3)C2)no1 257316120 VEFMWSVYCDVMMO-GOSISDBHSA-N 435.528 3.642 0 40 IHAB O=C(C[C@@]1(COc2ccc(Cl)cc2)CN(Cc2cccnc2)CCO1)N1CCCCC1 257322300 WFKGOUJXWJEBEX-DEOSSOPVSA-N 443.975 3.788 0 40 IHAB C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]12 408664037 YOVDDFUIXFDFLT-QFIXIFRTSA-N 436.895 3.777 0 40 IHAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C(C)C)c(OC)cc2C)C1=O 409241484 XVIXLYGOESMPJE-XDHOZWIPSA-N 437.496 3.667 0 40 IHAB CCOC(=O)c1c(NC(=O)CN(c2ccccc2)C2CCCC2)sc(C(=O)NC)c1C 533064220 XDOXEWPOVGTNTF-UHFFFAOYSA-N 443.569 3.981 0 40 IHAB Cc1cc(O[C@H](C)C(=O)NC2(c3nc(C4CCOCC4)no3)CCOCC2)ccc1Cl 585141652 DZIZLOODKVJPDH-OAHLLOKOSA-N 449.935 3.515 0 40 IHAB CC(=O)N[C@@]12CCN(C(C)=O)C[C@@H]1[C@@H](c1ccccc1)N(Cc1cc3ccccc3o1)C2 585261344 XRRWPWFZPSIWPX-LGPLSSKUSA-N 431.536 3.733 0 40 IHAB Cc1cc(C)nc(Nc2cc([C@@H]3CCN(C(=O)/C=C/c4csc(C)n4)C3)nc(C)n2)n1 585291078 JJKVAGCXXVWPRF-FUTAKVPZSA-N 435.557 3.730 0 40 IHAB O=C(c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1)N1CC[C@@H](Cc2ccc(F)cc2)C1 605687821 QQKHPAJIFNDYDF-INIZCTEOSA-N 445.491 3.799 0 40 IHAB CC(=O)Nc1cc(C(=O)N2CCC[C@@](O)(COc3cc(C)c(Cl)c(C)c3)CC2)ccn1 2037912771 ZZVFOTBABHBTBY-QHCPKHFHSA-N 445.947 3.746 0 40 IHAB C[C@H]1CN(C[C@@H]2C[C@@H]3CCN(C(=O)[C@@H]4C[C@@H]4c4ccc(Cl)cc4)C[C@@H]3O2)C[C@@H](C)O1 2056225279 IEMIHQRQALFGJM-ARHXDXFKSA-N 432.992 3.559 0 40 IHAB O=C(CCc1nnc2s/c(=C\c3ccccc3)c(=O)n12)Nc1cc(Cl)ccc1Cl 644834 UACMQTLRFLWSIU-YBEGLDIGSA-N 445.331 3.577 0 40 IHAB Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccccc3C(F)(F)F)CC2=O)c(C)c1 1289400 REPPJPBDNRBLDE-OAHLLOKOSA-N 434.414 3.857 0 40 IHAB CCOc1ccc2[nH]c3nc(SCC(=O)Nc4ccc(OC)c(OC)c4)nnc3c2c1 1331151 LXABLWIKCXPQPG-UHFFFAOYSA-N 439.497 3.653 0 40 IHAB CCc1ccc2c(c1)cc(CN(Cc1nnnn1C1CCCC1)C1CCCC1)c1nnnn12 1367538 NDSBRSJIGYMRPZ-UHFFFAOYSA-N 445.575 3.886 0 40 IHAB CC1(C)Cc2ccccc2-c2nnc(SCC(=O)N3CCN(c4ccccc4)CC3)n21 1368673 HWMDZNYGSYCFAI-UHFFFAOYSA-N 433.581 3.677 0 40 IHAB CCOC(=O)c1sc2ncn(CC(=O)Nc3ccccc3C(F)(F)F)c(=O)c2c1C 1971033 RDOGYSYYDRIMSO-UHFFFAOYSA-N 439.415 3.601 0 40 IHAB CCCOc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3ccncc3)C2=O)cc1 2407887 ZZEGYUHGFNNAND-RJGXRXQPSA-N 429.476 3.922 0 40 IHAB CC[C@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)Nc1ccc(C(C)=O)cc1 3221272 DVYPKFPZQYQJNH-QKKBWIMNSA-N 444.915 3.869 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)N(C)Cc3ccc(C)o3)cc2)cc1 3398824 XNIUDSPYVZCAAW-UHFFFAOYSA-N 442.537 3.759 0 40 IHAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1c1nc2n(n1)[C@@H](c1ccccc1)C[C@H](c1ccccc1)N2 4295385 LJUIHPXVUYBPKS-PLACYPQZSA-N 425.492 3.880 0 40 IHAB CC(C)(C)NC(=O)[C@H](c1cccnc1)N(Cc1ccc(Cl)cc1)C(=O)c1csnn1 5944296 MAGINNQVCNBUAW-SFHVURJKSA-N 443.960 3.885 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CN2c3ccccc3CC[C@H]2C)c1 6822457 CSVZJPFEQNXILH-GOSISDBHSA-N 429.586 3.805 0 40 IHAB COC(=O)c1ccc(Sc2ccccc2NS(=O)(=O)c2ccc(OC)cc2)nc1 8642437 RVLPGBHPJCIPDF-UHFFFAOYSA-N 430.507 3.829 0 40 IHAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC3=NS(=O)(=O)c4ccccc43)cc2)c1 8715405 UAFJQMMMCMTHKF-UHFFFAOYSA-N 441.534 3.665 0 40 IHAB CSc1nc(NC(C)C)c2cnn(CCNC(=O)c3ccccc3C(F)(F)F)c2n1 8941561 CHYCHKWAJBDPKK-UHFFFAOYSA-N 438.479 3.817 0 40 IHAB C[C@H]1CCCCN1CCCNc1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl 9114404 PNUDUSYOEXAYLM-ZDUSSCGKSA-N 429.874 3.976 0 40 IHAB Cc1ccc(Cn2c(=O)c3c(nc4n(-c5cccc(Cl)c5C)c(C)cn34)n(C)c2=O)cc1 9149658 TWLFWMGNHRRTIP-UHFFFAOYSA-N 447.926 3.766 0 40 IHAB CCOc1ccc([C@H]2Nn3c(CC)nnc3S[C@@H]2C(=O)Nc2cccc(OC)c2)cc1 9197744 XQWCPPHNTSRZGD-UXHICEINSA-N 439.541 3.646 0 40 IHAB O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)OCC(=O)N1CC[C@H]2CCCC[C@@H]2C1 9217810 ANWOBIWGDTXUPR-NFBKMPQASA-N 434.536 3.665 0 40 IHAB O=C(CSc1nnc(CNC(=O)c2ccco2)n1-c1ccccc1)c1ccc(F)cc1 9265049 AITKMCRQJSHLIK-UHFFFAOYSA-N 436.468 3.904 0 40 IHAB Cc1cc(=O)c(C(=O)Nc2ccnn2Cc2cccs2)nn1-c1ccc(Cl)cc1 9313792 LBAOSIRPQZMYOK-UHFFFAOYSA-N 425.901 3.753 0 40 IHAB Cc1csc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)n1 9491592 NIFLNSSUSBQYAU-UHFFFAOYSA-N 435.958 3.935 0 40 IHAB CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1csc(-c2ccsc2)n1 9513160 ZEBKSFBGZYJXML-UHFFFAOYSA-N 428.583 3.779 0 40 IHAB COc1ccc(-n2nnnc2SCC(=O)N[C@@H](c2ccccc2)c2cccs2)cc1 9549041 BYPSZXHBYMWAJY-FQEVSTJZSA-N 437.550 3.730 0 40 IHAB O=C(c1ccc2c(c1)OCO2)c1cn(Cc2ccc(F)cc2)c2cc3c(cc2c1=O)OCO3 9610764 HRWRJHPIAOCSEF-UHFFFAOYSA-N 445.402 3.877 0 40 IHAB CCN(CC)CCCn1c2c(c(SCC(=O)Nc3ccc(Cl)cc3)nc1=O)CCC2 9746153 HUNIWAQFENMLAM-UHFFFAOYSA-N 449.020 3.848 0 40 IHAB O=S(=O)(Nc1ncnc2sc(-c3ccccc3)cc12)c1ccc2c(c1)OCCO2 9794024 TUBBJBFUHRHXSB-UHFFFAOYSA-N 425.491 3.930 0 40 IHAB COc1ccccc1N1CCN(C(=O)CC(C)(C)CC(=O)N2CCc3ccccc3C2)CC1 9908357 WBLJYBMWIWAXBD-UHFFFAOYSA-N 449.595 3.735 0 40 IHAB CCCCn1nnnc1CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1 9909777 DFTADENNAAZTCF-UHFFFAOYSA-N 435.513 3.742 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCCc1cccc(C)c1 10110815 RQPJLWGXEJWONO-UHFFFAOYSA-N 430.570 3.541 0 40 IHAB CSc1ccc2nc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3cccs3)sc2c1 10187259 QJZGZOULRAJVHT-ZDUSSCGKSA-N 439.609 3.872 0 40 IHAB Cc1ccccc1OCC(=O)Nc1ccc2c(c1)CN(S(=O)(=O)c1ccccc1)CC2 11613148 CANKNZZDFMSLRA-UHFFFAOYSA-N 436.533 3.760 0 40 IHAB Cc1sc(-c2ccc(OC(F)(F)F)cc2)nc1C(=O)N1CCN(c2ncccn2)CC1 11866141 BNVOTTFHVSKCRW-UHFFFAOYSA-N 449.458 3.770 0 40 IHAB Cc1cc(-c2cnc(C)nc2C2CCN(C(=O)c3ccc(Cn4cccn4)o3)CC2)on1 12127793 HOXNVNFRVNBLIV-UHFFFAOYSA-N 432.484 3.606 0 40 IHAB O=C(CSc1nc(O)c2c(n1)CCN(Cc1ccccc1)C2)Nc1ccc(F)c(F)c1 12415607 RDXPOXVPJOZDCF-UHFFFAOYSA-N 442.491 3.750 0 40 IHAB O=C(OC[C@@H]1CCCN2CCCC[C@H]12)c1nn2cc(Br)cnc2c1Cl 12428320 UPZBPJXOSSLKCU-WCQYABFASA-N 427.730 3.567 0 40 IHAB Cc1ccc(N(C(=O)c2csnn2)[C@H](C(=O)NC2CCCC2)c2ccncc2)c(C)c1 12637030 UOTNQQFOFUIDAC-NRFANRHFSA-N 435.553 3.997 0 40 IHAB CC1=CC2=NC(=O)C[C@](C)(C(=O)N(CC(=O)NC3CCCC3)c3cc(C)cc(C)c3)N2C=C1 12880217 IGPQOEKCGZJZGS-AREMUKBSSA-N 448.567 3.558 0 40 IHAB COc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1S(=O)(=O)N1CCCCCC1 13075372 UPVSRNBBFFSTDB-UHFFFAOYSA-N 430.526 3.715 0 40 IHAB C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1c(SCC(=O)NCc2ccco2)nc2ccccc21 13082900 QRAGJHDZIPZQJW-IAGOWNOFSA-N 440.569 3.827 0 40 IHAB CCN(c1ccccc1)S(=O)(=O)c1nnc(NC(=O)C23CC4CC(CC(C4)C2)C3)s1 13370262 BZKGSAIOBUPRSV-UHFFFAOYSA-N 446.598 3.908 0 40 IHAB CCOc1ccccc1CCCNC(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 13612493 IBJHGAQIRPAUQP-UHFFFAOYSA-N 438.977 3.562 0 40 IHAB O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1Cl)N1CCCC1 13858177 QHUBTVXTWJBCQN-UHFFFAOYSA-N 429.325 3.795 0 40 IHAB Cc1ccc(C2=NN(C(=O)Cn3cc(Br)ccc3=O)[C@@H](c3cccs3)C2)o1 14142406 ZEXBNOXIHCPEFF-OAHLLOKOSA-N 446.326 3.952 0 40 IHAB C[C@H](OC(=O)c1ccccc1OCc1ccc(F)cc1)C(=O)N1CC(=O)Nc2ccccc21 16053406 BPUBNVPXTVHKDN-INIZCTEOSA-N 448.450 3.935 0 40 IHAB Cn1ccnc1[C@H](NC(=O)CCC(=O)c1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 16975297 FQKBVECUGJMVOF-JOCHJYFZSA-N 439.899 3.713 0 40 IHAB CCc1ccc(C(=O)NC(=S)Nc2ccc(I)c(C)n2)cc1 17094278 SHZCDYKBKUJNTA-UHFFFAOYSA-N 425.295 3.684 0 40 IHAB CCOC(=O)c1c(NC(=O)[C@@H](C)OC(=O)Cc2ccc(O)cc2)sc2c1CCCC2 17125289 ALFMGPVKHURIMO-CYBMUJFWSA-N 431.510 3.622 0 40 IHAB CCOc1ccc(N2CCn3c(SCC(=O)Nc4ccc(OC)cc4)nnc32)cc1 17307726 JVCNYTMOXPPLHG-UHFFFAOYSA-N 425.514 3.568 0 40 IHAB O=S(=O)(c1cccc2nsnc12)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 19080115 HHIFPLIHTYYWEE-UHFFFAOYSA-N 447.929 3.748 0 40 IHAB CC(C)C(=O)N1CCC(c2nc(O)cc([C@H]3CCCN(C(=O)c4cccs4)C3)n2)CC1 19085328 HGVFLALAURCQAA-KRWDZBQOSA-N 442.585 3.626 0 40 IHAB Cc1cc(-c2ccsc2)nc(C2CCN(C(=O)Cc3n[nH]c(=O)c4ccccc34)CC2)n1 19118526 RWOOIJXDKMUHLN-UHFFFAOYSA-N 445.548 3.699 0 40 IHAB COc1ccc(OCC(=O)N2CCC([C@@H]3C[C@H](C(F)F)n4nc(C)cc4N3)CC2)cc1 19128771 RDQHQTIRCKTXGD-RBUKOAKNSA-N 434.487 3.508 0 40 IHAB CSCC[C@H](NC(=O)c1cc2cc(C)ccc2n1C)c1cc(=O)[nH]c(-c2ccccn2)n1 19221229 FFWZURJLIGDYFO-KRWDZBQOSA-N 447.564 3.856 0 40 IHAB COc1ccc(-c2noc([C@@H]3CN(C(=O)c4c(C)n(C)c5ccccc45)CCO3)n2)cc1 19581743 AFVAHKVIOOPHGA-FQEVSTJZSA-N 432.480 3.759 0 40 IHAB CN(C)c1ncc(-c2ccccc2)c([C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)n1 19694502 XBOGALLNKAAZEO-SFHVURJKSA-N 440.544 3.917 0 40 IHAB CNC(=O)c1sc2ncccc2c1[C@@H]1CN(CCCOc2cccc(C)c2)CCO1 19703283 PRTQERWNJFFBSO-IBGZPJMESA-N 425.554 3.807 0 40 IHAB COc1ccc(CN2CCO[C@@H](c3c(C(=O)N(C)C)sc4ncccc34)C2)cc1OC 19703966 SLRGBWCLGHFRDX-LJQANCHMSA-N 441.553 3.589 0 40 IHAB O=C1N(CCc2ccccc2)CC=CCC12CCN(Cc1ccnc(N3CCCC3)n1)CC2 19742677 OJKWLHLMFYSFTR-UHFFFAOYSA-N 445.611 3.690 0 40 IHAB CC(C)NC(=O)c1cc([C@H]2CN(Cc3c[nH]nc3C(C)(C)C)CCO2)nc2ccccc12 19762234 INPOLMXCYGQPQP-JOCHJYFZSA-N 435.572 3.967 0 40 IHAB FC(F)(F)c1cc(C(F)(F)F)c2ccc(N3CCN(c4ncccn4)CC3)nc2n1 20218689 XGADVZVNXAUCTP-UHFFFAOYSA-N 428.340 3.784 0 40 IHAB COc1ccc(N(CC(=O)N2CCCCCC2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 20235737 PZERIRSHDPVYTO-UHFFFAOYSA-N 446.569 3.610 0 40 IHAB CCOc1ccc([C@@H]2C(C(=O)OCCOC)=C(C)Nc3nc4ccccc4n32)cc1OC 20633409 KONDJQKJSVUTQV-JOCHJYFZSA-N 437.496 3.922 0 40 IHAB CCOc1ccccc1C(=O)NCC(=O)O[C@H](C)C(=O)Nc1ccc([C@@H](C)CC)cc1 21739236 SQUVCEMNHGETJM-DLBZAZTESA-N 426.513 3.899 0 40 IHAB CCOc1ccc(C(=O)Nc2ccc(OCc3cc(=O)n4c(ncn4C(C)C)n3)cc2)cc1 21797047 AVDDSLHIPLVMMB-UHFFFAOYSA-N 447.495 3.702 0 40 IHAB CCCn1cnc2nc(COc3cc(NC(=O)c4ccc(C)cc4)ccc3C)cc(=O)n21 21797200 BZHRCCGPDOIUAK-UHFFFAOYSA-N 431.496 3.749 0 40 IHAB CCC[C@H](C)NC(=O)c1cc(OC)c(OC)cc1N(Cc1ccccc1)S(C)(=O)=O 22253687 PXCFVDZJGNFUBA-INIZCTEOSA-N 434.558 3.588 0 40 IHAB Clc1ccc([C@@H](c2nnnn2Cc2ccco2)N2CCN(Cc3ccccc3)CC2)cc1 22929580 BLPMUDVXWFRKAI-QHCPKHFHSA-N 448.958 3.875 0 40 IHAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CSc2nc(C)cc(N)n2)cc1 23290571 BFXMVCMDRBQELL-FQEVSTJZSA-N 433.537 3.846 0 40 IHAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CN1C(=O)NC3(CCCCC3)C1=O)CC2 23873177 BBEPPXJCKIKCGU-QHCPKHFHSA-N 449.551 3.864 0 40 IHAB COCCNC(=O)c1ccccc1NS(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl 24347702 CTEIOEDNZKAQKP-UHFFFAOYSA-N 431.341 3.787 0 40 IHAB COc1ccc(NC(=O)CN2c3ccc(F)cc3-c3ccccc3S2(=O)=O)cc1OC 24607816 RZWFWNQLUHWOMI-UHFFFAOYSA-N 442.468 3.657 0 40 IHAB CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 24757810 GRYPFWAKEKVTGW-ZWKOTPCHSA-N 447.576 3.673 0 40 IHAB COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NC[C@@H](C(C)C)N1CCOCC1 24968880 YEAUVNXNXHPGFI-QHCPKHFHSA-N 448.567 3.635 0 40 IHAB Cc1nc(-c2ccc(CCNC(=O)CN3C(=O)CSc4ccccc43)s2)cs1 25944074 JESIQOUUDKIBJL-UHFFFAOYSA-N 429.592 3.978 0 40 IHAB C[C@@H](OC(=O)CCC(=O)c1ccc2c(c1)CCCC2)C(=O)N1CCN(c2ccccc2)CC1 27075360 WOQVFEUMPSVVON-HXUWFJFHSA-N 448.563 3.809 0 40 IHAB CCn1c(SCc2ccc(F)cc2)nnc(Nc2ccc3c(c2)OCCCO3)c1=O 28526871 MWTBSRXTWMZVQQ-UHFFFAOYSA-N 428.489 3.995 0 40 IHAB Cc1cc(O)c(NC(=S)NC(=O)c2ccccc2I)cc1C 32106989 IPLPFNAHJCFMTH-UHFFFAOYSA-N 426.279 3.740 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)cc2)C2CCCCC2)cc1OC 32193755 QYGQERDCCLVTSZ-UHFFFAOYSA-N 446.569 3.974 0 40 IHAB O=C(NCCc1ccc2c(c1)OCCO2)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 32802752 KBUJGUMENUAJDA-DEOSSOPVSA-N 428.492 3.965 0 40 IHAB CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)c1cc(SC)ccc1C 32906388 CEVNBSCJEGSINL-UHFFFAOYSA-N 427.526 3.633 0 40 IHAB Cc1cc(NC(=O)CSc2nc(Nc3ccc4c(c3)OCO4)c3ccccc3n2)n[nH]1 33829211 RLIUBAKWEJVMHI-UHFFFAOYSA-N 434.481 3.864 0 40 IHAB CC(C)(C)c1ccc(NC(=O)COC(=O)C2CCN(C(=O)NCc3ccco3)CC2)cc1 36391300 KCVKDJSGGBXGGK-UHFFFAOYSA-N 441.528 3.681 0 40 IHAB Cc1cccc(N2CCN(S(=O)(=O)c3ccsc3C(=O)Nc3ccccc3)CC2)c1 38487408 AVZSIRMQCNJYJJ-UHFFFAOYSA-N 441.578 3.820 0 40 IHAB O=C(c1ccccc1)N1CCN(C(=O)c2nn(-c3ccccc3)c3c2CCCCC3)CC1 40140825 QZMRWHJHJVKJFG-UHFFFAOYSA-N 428.536 3.739 0 40 IHAB COc1cccc(OC)c1C(=O)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 57317290 VBYRIWVZNBFRQB-UHFFFAOYSA-N 432.801 3.876 0 40 IHAB COc1ccccc1-n1c(=O)c2sccc2n(CC(=O)Nc2ccccc2Cl)c1=O 57490671 FXMYJRKOKFGDDK-UHFFFAOYSA-N 441.896 3.515 0 40 IHAB O=C(Cc1ccc(Cl)cc1)N1CCCN(c2cc(-c3ccc4c(c3)OCO4)n[nH]2)CC1 62007398 ODKOFDBSNTZVQF-UHFFFAOYSA-N 438.915 3.740 0 40 IHAB CCOc1ccc(C(=O)OCC(=O)NCc2ccc(C(F)(F)F)cc2)cc1OCC 67197658 RHCLDNGEYPAROY-UHFFFAOYSA-N 425.403 3.976 0 40 IHAB CCc1noc(-c2ccnc(-n3cnc(C(=O)NCc4ccc(C(F)(F)F)cc4)c3)c2)n1 71768530 UVIKXMLNMPOXNY-UHFFFAOYSA-N 442.401 3.829 0 40 IHAB Cc1cc(Nc2ncccc2C)cc([C@H]2CCCN(CC(=O)NCc3ccccn3)C2)n1 72374938 NHRDUCYTSBBMIL-FQEVSTJZSA-N 430.556 3.728 0 40 IHAB O=C1NCCc2nc(C3CCN(C(=O)CCc4ccc(F)cc4)CC3)cc(C(F)(F)F)c21 72379956 SSSOIKTYKAJCFW-UHFFFAOYSA-N 449.448 3.864 0 40 IHAB CCCCc1cc(=O)oc2cc(O[C@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)ccc12 100764996 YXDXKAPCDRCRNK-ZACQAIPSSA-N 429.513 3.910 0 40 IHAB CCOC(=O)[C@@H]1CCCN([C@H](c2cccc(F)c2)c2sc3nc(CC)nn3c2O)C1 102896647 LBZWKNDPUBTGPH-RHSMWYFYSA-N 432.521 3.562 0 40 IHAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC(C(C)C)C(C)C)cc2)cc1OC 113936406 KXVNAIWILLWBHM-UHFFFAOYSA-N 448.585 3.939 0 40 IHAB CCOC(=O)c1cccc(NC(=O)[C@H](CC)N(c2cc(C)cc(C)c2)S(C)(=O)=O)c1C 220577867 MKUNRRJGMAXYBJ-NRFANRHFSA-N 446.569 3.972 0 40 IHAB CCOc1ccc(CCCNC(=O)CCCN(c2ccc(CC)cc2)S(C)(=O)=O)cc1 222648742 DCJORICWEPONEO-UHFFFAOYSA-N 446.613 3.943 0 40 IHAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc2c(c1)OCO2 222651780 JRSWJNVEMCZFNK-HXUWFJFHSA-N 428.504 3.819 0 40 IHAB O=C(Nc1nnc(S(=O)(=O)Nc2ccccc2Cl)s1)c1ccc(Cl)cc1 223122906 URSSCDJCBVUSDT-UHFFFAOYSA-N 429.310 3.898 0 40 IHAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1 223151593 PAVQOJIHUQSNBK-MOHJPFBDSA-N 444.535 3.749 0 40 IHAB CC[C@@H](C(=O)NCCOc1cc(C)ccc1C)N(c1cc(C)cc(C)c1)S(C)(=O)=O 224035464 STXOSTWSABXCOY-NRFANRHFSA-N 432.586 3.660 0 40 IHAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc1 224064956 HXRBJXIHTZGDDT-DEOSSOPVSA-N 438.549 3.530 0 40 IHAB Cc1ccc(OCCNC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)cc1C 224237824 UJPBNVFWCQOPHD-UHFFFAOYSA-N 444.578 3.999 0 40 IHAB COc1ccccc1NS(=O)(=O)c1ccc(NS(=O)(=O)Cc2cccc(C)c2)cc1 224547681 CCUFZILCEIXOCP-UHFFFAOYSA-N 446.550 3.746 0 40 IHAB Cc1ccc(CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1 225546827 ZBFGEOGSIRNPPA-LJQANCHMSA-N 434.989 3.798 0 40 IHAB CCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)cc1C(=O)OC 225780776 ALJUCZODZQQYQD-UHFFFAOYSA-N 427.497 3.958 0 40 IHAB CC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C[C@@H]([C@@H]5ON=C(c6ccccc6Cl)[C@@H]45)[C@H]3C2=O)cc1 248379846 OCLBEOGWDVALDN-VIHNZTOISA-N 434.879 3.717 0 40 IHAB Cc1nc(-c2ccc(S(=O)(=O)NC[C@](O)(c3ccoc3)c3cccs3)cc2)co1 253473713 XLUIFJZIAUBXIY-FQEVSTJZSA-N 430.507 3.519 0 40 IHAB O=C1CC2(CCN(C(=O)C3(Cc4ccccc4)CCOCC3)CC2)[C@@H](c2ccccc2)CN1 257249459 JILWPBFRECDKIJ-XMMPIXPASA-N 446.591 3.938 0 40 IHAB Cc1nc2cc([C@H]3CCCN3C(=O)C3CC3)nn2c(C)c1CCC(=O)N1CCCC[C@H]1C 257274399 NKYLPAMBSXHOTG-OPAMFIHVSA-N 437.588 3.753 0 40 IHAB C[C@]12C[C@@H](c3ccccc3)N(CC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)[C@H]1CCCCCN2 257282411 OTQVWNBKTMHLCI-HWBMXIPRSA-N 433.556 3.533 0 40 IHAB CNC(=O)C(=O)Nn1c(C(=O)Nc2ccc(Cl)c(Cl)c2)cc2cc(Cl)ccc21 408608843 PYTRTZZTKPWGAK-UHFFFAOYSA-N 439.686 3.670 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N[C@H](C)CCc1ccccc1 408701804 FZXGLNCAXFVFJA-GOSISDBHSA-N 430.570 3.621 0 40 IHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 408706356 GOZZKRGJSHZASH-INIZCTEOSA-N 449.548 3.539 0 40 IHAB CCOC(=O)COc1ccc(/C=C2\S[C](Nc3cc(C)ccc3OC)NC2=O)cc1 408806445 DYJUDNNNFUDEFF-UHFFFAOYSA-N 427.502 3.709 0 40 IHAB Cc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(Cl)c(Br)c2)cc1 408997822 IXRNQCPSLAWEFN-UHFFFAOYSA-N 431.739 3.718 0 40 IHAB COc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(Cl)cc3)[C@H]2c2ccc(C)cc2)cc1 409059875 YDABERZIOAKJGF-WAUWHALJSA-O 448.930 3.673 0 40 IHAB CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)N2CCc3c(Cl)cccc32)s1 536116299 FRILVIWPDQHXEV-UHFFFAOYSA-N 426.991 3.858 0 40 IHAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(CC(=O)O)c3)ccc2C)c1 676211427 SDVMFTOHUZNVHG-UHFFFAOYSA-N 438.505 3.984 0 40 IHAB COc1ccc(CN2CC3(CCN(C(=O)c4cc5ccccc5n4C)CC3)CC2=O)cc1 1565555095 RJMSRJXJOMBSJL-UHFFFAOYSA-N 431.536 3.842 0 40 IHAB Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(c2ccc(Br)cn2)CC1 2086868982 MXNYBIKMXAEJIG-UHFFFAOYSA-N 431.309 3.918 0 40 IHAB CC(C)[C@H](C(=O)OCC(=O)Nc1cccc2ccccc12)N1C(=O)c2ccccc2C1=O 1917015 VTEMNOLKXWYNDO-JOCHJYFZSA-N 430.460 3.642 0 40 IHAB CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2nnc3ccccn23)sc2c1CCCC2 3281955 UUGKRGGBCYJUCN-GFCCVEGCSA-N 430.555 3.966 0 40 IHAB CCOC(=O)c1c(NC(=O)[C@@H](C)OC(=O)c2ccccc2O)sc2c1CC[C@H](C)C2 3313013 WXCIUQUTLICDIC-QWHCGFSZSA-N 431.510 3.939 0 40 IHAB Cc1cc(C(=O)COC(=O)c2ccc(-n3cnnn3)cc2)c(C)n1Cc1ccccc1Cl 3416622 UHMFOSSVEIGVKC-UHFFFAOYSA-N 449.898 3.822 0 40 IHAB CCCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(C)c(C)c3)CC2=O)cc1 8383871 DWPPWLOHWFYWIC-FQEVSTJZSA-N 437.492 3.649 0 40 IHAB Cn1nc(-c2ccccc2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)NCc1ccccc1 8635338 JCHNURDPUZFUBN-ZRBLBEILSA-N 429.568 3.764 0 40 IHAB biogenic,in-vitro Cc1nc(Nc2ccc(Cl)cc2)sc1C(=O)Nc1cccc2c(=O)[nH][nH]c(=O)c12 8653327 LZDPIGUMKFXQTJ-UHFFFAOYSA-N 427.873 3.631 0 40 IHAB Cc1ccc2c(=O)cc(C(=O)Nc3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)oc2c1 8915214 FOFADAYFMNCARA-INIZCTEOSA-N 440.521 3.774 0 40 IHAB O=C(NCc1ccc2c(c1)OCO2)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 9203237 OGAAXDSQVZHQKK-UHFFFAOYSA-N 444.896 3.800 0 40 IHAB COc1ccc([C@@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2CCCO)cc1 9446272 QCFIPKZPDZJBBD-OAQYLSRUSA-N 427.888 3.680 0 40 IHAB O=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1nc(-c2ccsc2)no1 9497785 NXQFOGDBOUTEQA-QHCPKHFHSA-N 430.489 3.988 0 40 IHAB CC(=O)Nc1ccc(NC(=O)[C@H]2CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)cc1 9576575 FEEYXZYAOBWNER-IBGZPJMESA-N 432.524 3.936 0 40 IHAB O=C(Nc1ccccc1F)c1cn(C[C@@H]2CCCO2)cc2c(=O)n(-c3ccccc3)nc1-2 9663597 ZUHADHMORIYQSJ-KRWDZBQOSA-N 432.455 3.709 0 40 IHAB Cc1ccccc1-c1noc(CSc2nnc(N3CCOCC3)n2Cc2ccccc2)n1 9724619 PKIGTAHQHFOYNJ-UHFFFAOYSA-N 448.552 3.814 0 40 IHAB Cc1cccc(NC(=O)COC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)c1 9739288 SECBILGFHPWFQI-UHFFFAOYSA-N 442.468 3.730 0 40 IHAB COc1cccc(-c2ccc3nnc(SCC(=O)Nc4ccc(F)cc4F)n3n2)c1 9829144 WEERQBLUHZXMCJ-UHFFFAOYSA-N 427.436 3.809 0 40 IHAB CCN(CC)Cc1ccc(NC(=S)NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 10003949 MTNRPHOLXIMYHG-UHFFFAOYSA-N 431.558 3.681 0 40 IHAB C[C@H](OC(=O)C1CCN(c2nc3ccccc3o2)CC1)C(=O)Nc1ccc(N(C)C)cc1 10654112 BSQRWRWXFILGLT-INIZCTEOSA-N 436.512 3.681 0 40 IHAB Cc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccccc4C(F)(F)F)ncn3n2)cc1C 11666410 RYYJNSJWGAUUDS-UHFFFAOYSA-N 441.413 3.832 0 40 IHAB O=C(CSc1[nH]c(-c2ccccc2)nc1S(=O)(=O)c1ccccc1)N1CCCC1 11695890 QNQLTVQEXDCQFI-UHFFFAOYSA-N 427.551 3.624 0 40 IHAB COc1ccc(-c2nc(CC(=O)NC[C@@H]3CCCN4CCCC[C@H]34)cs2)cc1OC 12296988 CIGXKYOEWKEYLD-PKOBYXMFSA-N 429.586 3.751 0 40 IHAB biogenic COCCn1c(SCC(=O)N2CCC[C@@H](C)C2)nnc1-c1cc2ccccc2cc1O 12474698 NJLRMPYKWILZCB-MRXNPFEDSA-N 440.569 3.801 0 40 IHAB Cn1ccnc1[C@H](NC(=O)c1cccc(I)c1)c1ccc(F)cc1 12577417 HCCBRLPBHBUACP-MRXNPFEDSA-N 435.240 3.683 0 40 IHAB C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1CCN(C(=O)c2ccco2)CC1 12697590 HESXKDBBDJJRSK-IBGZPJMESA-N 433.508 3.644 0 40 IHAB CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)[C@H]1CCCN1C(=O)c1cccs1 12776813 IRCFYFKEFVJFGL-QGZVFWFLSA-N 433.961 3.802 0 40 IHAB CCCN(CC(=O)Nc1cc(OCC)ccc1OCC)Cc1nc2ccsc2c(=O)[nH]1 12780812 LWCSFFAKUFXLEQ-UHFFFAOYSA-N 444.557 3.633 0 40 IHAB CCOc1ccccc1-n1nnnc1S[C@@H](C)C(=O)NC(=O)Nc1ccc(C)cc1C 12814509 CXYQVCZBNOXHSK-HNNXBMFYSA-N 440.529 3.507 0 40 IHAB CCCCOc1ccc(C(=O)N(CC)CC(=O)Nc2ccc3c(c2)OCCO3)cc1OC 12872168 XDLDKIQKOYLZFA-UHFFFAOYSA-N 442.512 3.746 0 40 IHAB O=C(CSc1ncnc2c1cnn2-c1ccccc1)Nc1ccc2c(c1)OC(F)(F)O2 12901739 HVRFLJHWMMVOAB-UHFFFAOYSA-N 441.419 3.868 0 40 IHAB C[C@H]1CCc2c(sc3nc([C@@H](C)N4CCN(C(=O)c5ccccc5)CC4)[nH]c(=O)c23)C1 12923378 CBCJIHARBCVYJJ-JKSUJKDBSA-N 436.581 3.628 0 40 IHAB CS(=O)(=O)N(CC(=O)NCCSCc1ccccc1F)c1cccc2ccccc12 13668938 UGVNXGGKTNPYKN-UHFFFAOYSA-N 446.569 3.795 0 40 IHAB CCOC(=O)c1c(NC(=O)CNCC2CCCCC2)sc(C(=O)N(CC)CC)c1C 14066292 NANPXUAQFAKQJY-UHFFFAOYSA-N 437.606 3.824 0 40 IHAB O=C(COc1ccc2oc3c(c2c1)CCCC3)OCC(=O)N1CCc2sccc2C1 14205399 ZRQLKXRETBLOEK-UHFFFAOYSA-N 425.506 3.880 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C 14908956 RYGNJVWMASFWOD-UHFFFAOYSA-N 430.526 3.599 0 40 IHAB COc1ccccc1[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1 15966579 LBAUHWVRQRKXHI-IBGZPJMESA-N 444.597 3.899 0 40 IHAB CCC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2cccc(Cl)c2)CC1 17097291 GPJDHVCSLQJQPY-UHFFFAOYSA-N 430.961 3.525 0 40 IHAB CNC(=O)[C@]1(Cc2cccc(-c3ccc(C)cc3)c2)CN(C(=O)c2ccccc2)CCO1 19212731 RBMDQVVAXREYGN-MHZLTWQESA-N 428.532 3.862 0 40 IHAB NS(=O)(=O)c1ccc(OCCOC(=O)/C=C/c2ccc(-c3ccccc3)s2)cc1 19355804 PKBUFSQMZAZZPW-UKTHLTGXSA-N 429.519 3.698 0 40 IHAB Cc1ccc2[nH]c3c(c2c1)CN(C(=O)CN1CCN(C/C=C/c2ccccc2)CC1)CC3 19370003 TWCPKACPCNADSJ-VMPITWQZSA-N 428.580 3.692 0 40 IHAB biogenic COc1cc(CN2CCN(C)C(=O)[C@H](Cc3ccc(-c4cccnc4)cc3)C2)cc(OC)c1 19589448 KVXJDZUHCYXKDE-XMMPIXPASA-N 445.563 3.899 0 40 IHAB Cc1nc(C2CCN(C(=O)c3cnccn3)CC2)nc2c1CCCN2Cc1ccccc1 19705740 LODZYSQNMQKFAQ-UHFFFAOYSA-N 428.540 3.548 0 40 IHAB O=C(NC1CCCC1)c1ccc(C2CCN(C(=O)c3ccc4nsnc4c3)CC2)nc1 19705773 QUBMEDWJQWUVMA-UHFFFAOYSA-N 435.553 3.779 0 40 IHAB Cc1nc(C)c(C(=O)N2CCC[C@H]2c2nc(C)c3c(n2)N(CC(C)C)C(=O)CC3)s1 19740624 AKSZDFSYZZJKHS-KRWDZBQOSA-N 427.574 3.771 0 40 IHAB CCOc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3)C2)cc1 19860744 MPUGCYLAUSACEQ-KRWDZBQOSA-N 436.961 3.919 0 40 IHAB CC(=O)c1ccc(N2CCN(c3nc4ccccc4c(=O)n3Cc3ccccc3)CC2)cc1 20239308 PFZCWEZGCHKCBD-UHFFFAOYSA-N 438.531 3.974 0 40 IHAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 20481751 PWHDZMRNYRCWEH-IBGZPJMESA-N 429.473 3.818 0 40 IHAB CCOC(=O)c1ccc(NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)c(Cl)c1 20494091 NMVLSQIIHNMZAL-UHFFFAOYSA-N 431.297 3.794 0 40 IHAB O=C(C1CCN(c2ccc3nncn3n2)CC1)N(Cc1ccccc1)Cc1ccccc1 20746080 OCUQUWBOTCLUPK-UHFFFAOYSA-N 426.524 3.570 0 40 IHAB COc1ccc(/C=C/C(=O)N2CCC[C@@H]3CN(C(=O)Cc4ccccc4OC)CC[C@H]32)cc1 20997079 GZEXUPKYFNMPAI-LGRGTOJPSA-N 448.563 3.799 0 40 IHAB CCOc1ccc(NC(=O)C2(c3ccccc3)CCC2)cc1S(=O)(=O)N1CCCC1 21668814 YKJQEXCTMKYVCI-UHFFFAOYSA-N 428.554 3.930 0 40 IHAB Cc1noc(C)c1CC(=O)Nc1sc(-c2ccccc2)c(C)c1C(=O)N1CCOCC1 21767665 RROLZFBBLMJHOK-UHFFFAOYSA-N 439.537 3.982 0 40 IHAB O=C(NCc1ccc(F)cc1)c1ccc2c(O)nc3c(-c4ccc(F)cc4)nnn3c2c1 21867517 LXOLWMYUNTULLO-UHFFFAOYSA-N 431.402 3.858 0 40 IHAB O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl)N1CCCC1 22246364 RJHGKENPRQWECU-QGZVFWFLSA-N 427.353 3.505 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)c3cc(C)c(C)cc3C)C2)cc1 22539946 JEIXBKDWNWIUEG-PMACEKPBSA-N 444.597 3.899 0 40 IHAB COc1ccc2sc(N(CCCN3CCOCC3)C(=O)Cc3ccccc3)nc2c1 22997541 AOCRWDOKNZWFFM-UHFFFAOYSA-N 425.554 3.603 0 40 IHAB COC(=O)c1ccoc1COC(=O)C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O 24037995 PDCNUEJSFYJONP-CQSZACIVSA-N 429.372 3.631 0 40 IHAB O=C(CCC(=O)N1CCC(c2ccccc2)=N1)N1CCC(c2nc3ccccc3[nH]2)CC1 25843694 PDOWMRUFKMOECW-UHFFFAOYSA-N 429.524 3.686 0 40 IHAB CCOC(=O)c1cnn(-c2cccc(NC(=O)CCCn3c(=O)oc4ccccc43)c2)c1C 25986988 HYRVBMXMVUMDSP-UHFFFAOYSA-N 448.479 3.684 0 40 IHAB COc1ccc(C(=O)C2CCN(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 26131036 HBXPOYONFUYMJB-UHFFFAOYSA-N 430.545 3.764 0 40 IHAB Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)[C@H]2Cc3cc(Cl)ccc3O2)c1C 29763610 VLHLLVRELGHIBO-DENIHFKCSA-N 442.943 3.907 0 40 IHAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)CN[C@@H](c1ccc(F)cc1)c1cccs1 29936322 DDCKZQFBOYJVLU-QFIPXVFZSA-N 429.492 3.802 0 40 IHAB Cc1ccc([C@@H](NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)c2ccccc2)cc1 30751325 SGUMVKBGYGNGTF-DEOSSOPVSA-N 437.565 3.514 0 40 IHAB Cc1nc2cc(NC(=O)CCCN3C(=O)c4ccc(Br)cc4C3=O)ccc2o1 32731106 ZAQJTIPCZQVPOD-UHFFFAOYSA-N 442.269 3.914 0 40 IHAB O=C(CN1CCN(c2ncnc3cc(-c4ccc(F)cc4)sc23)CC1)N1CCCCC1 32837555 QSCJDWVKVNEUCT-UHFFFAOYSA-N 439.560 3.632 0 40 IHAB C[C@@H](CCN1CCN(c2ccccc2)CC1)NS(=O)(=O)c1ccc(C(F)(F)F)cc1 32916437 BZLXSZHACGLEBH-KRWDZBQOSA-N 441.519 3.585 0 40 IHAB COCC(=O)Nc1ccc(N2CCCCC2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 33028292 RCYSWADHAILRKO-UHFFFAOYSA-N 437.949 3.716 0 40 IHAB CCN(CC(=O)NCc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1 39986779 PGVUNXICRQTROY-UHFFFAOYSA-N 435.760 3.974 0 40 IHAB CCOc1ccccc1NC(=O)CN1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 40135413 VOJVDSHTGDFPIE-UHFFFAOYSA-N 431.920 3.734 0 40 IHAB Cc1ccc(C(=O)OC[C@H]2O[C@@H](OC(=O)c3ccc(C)cc3)[C@@H]3OC(C)(C)O[C@H]23)cc1 44154416 QBZWWJDLGJZWFB-URFJDIBFSA-N 426.465 3.562 0 40 IHAB COc1ccc([C@H](CC(C)C)NC(=O)[C@H]2CCN(S(C)(=O)=O)c3ccccc3O2)cc1 44937407 WQONSRDSKBVZLE-SIKLNZKXSA-N 446.569 3.516 0 40 IHAB CC(=O)N(Cc1ccccc1)c1nc(C)c(C(=O)Nc2ccc(Cn3cncn3)cc2)s1 49550253 PFBRBTSRYYSASY-UHFFFAOYSA-N 446.536 3.897 0 40 IHAB COc1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)c(C(=O)N(C)C)cc1OC 60300413 IYTJOSYSUWTJLB-LSDHHAIUSA-N 447.329 3.910 0 40 IHAB O=C(Cn1c(=O)cc(-c2nc(-c3ccncc3)no2)c2ccccc21)NC1CCCCC1 67318204 DWCTWHFOQFMISL-UHFFFAOYSA-N 429.480 3.562 0 40 IHAB Cc1ccc(NC(=O)NCC(C)(C)C[C@H](C)O)cc1NC(=O)NCC(C)(C)C[C@@H](C)O 72304719 RUXHQGARJRMQIH-DLBZAZTESA-N 436.597 3.832 0 40 IHAB CN1CCC(O)(CNC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)CC1 72310395 YDDDKZPPGMYOHI-UHFFFAOYSA-N 427.595 3.775 0 40 IHAB O=C(c1cc(-c2ccco2)n[nH]1)N1CCC[C@@H](n2nnc3cc(C(F)(F)F)ccc32)C1 72347967 VWWFNJBXTDFVAJ-CYBMUJFWSA-N 430.390 3.911 0 40 IHAB CCOc1cc(CCC(=O)N2CCN(C)C(=O)[C@@H]2Cc2ccc(-c3ccccc3)cc2)on1 72351391 PLQOMWBYFZSXNY-QHCPKHFHSA-N 447.535 3.585 0 40 IHAB Cc1cc(C)nc(Nc2ccc(C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)nc2)n1 72374195 FAXRNSROTKWFGU-UHFFFAOYSA-N 441.532 3.939 0 40 IHAB CCC[C@H](O)c1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 77300648 MGRMJQDIUBITKP-IBGZPJMESA-N 438.919 3.758 0 40 IHAB in-vitro Cc1nn(C)c2ncc(S(=O)(=O)Nc3c(-c4ccccc4)nc4c(C)cccn34)cc12 79046585 ZRMXUHBEJJPXAB-UHFFFAOYSA-N 432.509 3.701 0 40 IHAB COc1cc(CNc2ccc(OCC(F)(F)F)nc2)ccc1OCC(=O)N1CCCC1 83923622 BSMWIQBHWBOLBY-UHFFFAOYSA-N 439.434 3.645 0 40 IHAB CCn1cc(NC(=O)C(=O)N[C@H](CC(C)C)c2ccccc2OCC(C)C)ccc1=O 95405970 TXZOFLGFEJGOCT-HXUWFJFHSA-N 427.545 3.745 0 40 IHAB COc1cc2c(cc1OC)CC(=O)N(CC(=O)Nc1nnc(C3CCCCC3)s1)C=C2 95472542 NTRZDFKJCZDXLQ-UHFFFAOYSA-N 442.541 3.597 0 40 IHAB O=C(NCCn1nc(-c2ccncc2)cc1C1CC1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 96121672 MVTLQLSBLZIQLO-SFHVURJKSA-N 449.942 3.645 0 40 IHAB O=S1(=O)c2ccccc2OCC2(CCN(Cc3ccc(F)cc3)CC2)CN1CC1CC1 96145193 SYAXJHCQLCFFEU-UHFFFAOYSA-N 444.572 3.901 0 40 IHAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1CN(C(=O)c1ccccc1)c1ccc(Cl)cc1 100394691 ZFMMPPBIGVCAFH-VXAPCQRLSA-N 432.907 3.997 0 40 IHAB CCOc1cc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)c(Br)cc1O 105001303 IDOLFYCAMRDTKN-ZSOIEALJSA-N 425.348 3.944 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccccc2)c2ccc(F)cc2)cc1 110211687 UREBPYOROIZQPM-QGZVFWFLSA-N 442.512 3.907 0 40 IHAB Cc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)N(c1ccccc1F)S(C)(=O)=O)CC(C)(C)O2 220319906 LHKONQBXXBQIBR-CRAIPNDOSA-N 434.533 3.707 0 40 IHAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2cccc(N3CCCC3=O)c2)cc1 223131052 NECHDZQMMBHFDS-KQWNVCNZSA-N 443.503 3.802 0 40 IHAB O=C(NCCO)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 223360895 QUGPGFOVHGICEP-DEOSSOPVSA-N 436.939 3.761 0 40 IHAB COc1ccc(Cl)cc1N(CC(=O)N[C@@H](C)c1cc(C)c(C)cc1C)S(C)(=O)=O 223414522 NWARPVUSCAJJDO-INIZCTEOSA-N 438.977 3.917 0 40 IHAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 223562935 HGINCVAVNAUQCO-OAQYLSRUSA-N 425.481 3.935 0 40 IHAB COc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(OC)c(OC)c3)cc2)c1 223989382 FMBORVNRSYUHNP-UHFFFAOYSA-N 442.493 3.766 0 40 IHAB Cc1ccccc1CSCCCNC(=O)c1cccc(N2CCCCS2(=O)=O)c1 224390606 CMEWMDAHBKGCBS-UHFFFAOYSA-N 432.611 3.978 0 40 IHAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1cc(OC)cc(OC)c1 225234300 ZSZFFCBQWONUQF-IAGOWNOFSA-N 446.519 3.554 0 40 IHAB CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1cc(C)cc(C)c1C 225489920 AJDWTYCIWSUREO-QGZVFWFLSA-N 447.373 3.916 0 40 IHAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCCc1cccc2ccccc12 225623891 KIOXBEBTXAOXHN-SFHVURJKSA-N 440.565 3.752 0 40 IHAB CCCSc1nnc(NC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)s1 225836786 YRAJUQDNVDGJDK-UHFFFAOYSA-N 426.589 3.531 0 40 IHAB CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCC(F)(F)CC1 257246385 ITXIMIKGKXHGON-YRXWBPOGSA-N 426.504 3.582 0 40 IHAB Cn1ccc(C(=O)N2[C@H](c3cccc(C(F)(F)F)c3)C[C@]3(C)NC(=O)CCCC[C@H]23)n1 257269706 MRAXRCZUAXRRTQ-WFXMLNOXSA-N 434.462 3.844 0 40 IHAB COc1ccc(C2(C(=O)N3CCOC[C@@H](Cc4nccn5cccc45)C3)CCCC2)cc1 257275174 NOFARMYLHNOLNO-FQEVSTJZSA-N 433.552 3.872 0 40 IHAB CN(C(=O)C1(C)CCN(C(=O)c2ccccc2F)CC1)[C@@H]1CCCN(c2ccccn2)C1 257307148 SXJYMKBSVNPYQD-LJQANCHMSA-N 438.547 3.590 0 40 IHAB COc1ccc(OC)c(-c2n[nH]c(C(=O)N3[C@@H]4CN(C)[C@@H]5CCCC[C@H]3[C@]5(C)C4)c2C)c1 257326191 WWFFHUWQONAVSZ-DTHKZBPFSA-N 438.572 3.880 0 40 IHAB CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]4[C@@H](OC(C)=O)CC(=O)[C@]4(C)CC[C@H]3[C@]2(C)[C@H](OC(C)=O)C1 257348503 GJEJASFBAXHMOD-FXNMLNMRSA-N 448.556 3.613 0 40 IHAB Cc1ccc(CNC(=O)c2c3c(n4ncc(-c5ccccc5)nc24)CN(CC2CC2)CC3)o1 306127734 GFWHKTPVDOXVJC-UHFFFAOYSA-N 441.535 3.996 0 40 IHAB Cc1nc(CN2CC[C@]3(CN(C(=O)CC(C)C)C[C@@H]3c3cn(C(C)C)cn3)C2=O)cs1 306143910 YQPAWPGVGKSCJE-AUSIDOKSSA-N 443.617 3.620 0 40 IHAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccccc3Cl)C2)c(C)c1 408555502 XIWXMXIFBPTNIF-IBGZPJMESA-N 434.989 3.982 0 40 IHAB CS(=O)(=O)N(CC(=O)NCc1ccccc1Cl)Cc1ccc(Cl)c(Cl)c1 408614152 YZXLPPVZMXKSSU-UHFFFAOYSA-N 435.760 3.725 0 40 IHAB Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)cc2)c(C)c1 408669501 WFZZZWYYVJVABC-ZRGHVXQMSA-N 446.503 3.634 0 40 IHAB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1)Nc1ccccc1Cl 408670960 XUVFZCMEIVOEIO-IRXDYDNUSA-N 438.867 3.591 0 40 IHAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@@H](C(=O)Nc1cn[nH]c1)c1ccccc1 512870433 KOZZFWZSMMJHTE-GOSISDBHSA-N 449.492 3.735 0 40 IHAB C[C@@H](CNC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1)N1CCc2ccccc21 520711351 YDIMTJDLJVPKHY-INIZCTEOSA-N 441.578 3.730 0 40 IHAB CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)c1ccc2c(c1)C(=O)NC2=O 552124361 OKWIKKMQEKQGGI-UHFFFAOYSA-N 436.471 3.695 0 40 IHAB COC(=O)c1cnc(Nc2cc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nc(C)n2)s1 585262720 YEUPVYQBSRITEL-CYBMUJFWSA-N 433.534 3.886 0 40 IHAB Cc1nccn1CCOc1ccc(CN2C[C@H](O)[C@@H](Oc3cccc(Cl)c3)C2)cc1 585268829 NNFHDFIPUIHFDN-GOTSBHOMSA-N 427.932 3.548 0 40 IHAB CC(=O)N1CCO[C@@](COc2ccc(Cl)c(C)c2)(CC(=O)N(C)Cc2ccccc2)C1 585284813 JNCCVTSRNFVRAC-DEOSSOPVSA-N 444.959 3.693 0 40 IHAB Cc1nn(Cc2ccccc2Cl)c(C)c1CNCc1cccc(NS(C)(=O)=O)c1 643897720 ISWUFKDCIPBXOT-UHFFFAOYSA-N 432.977 3.863 0 40 IHAB CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)cc2)cc1 1088066 YCXHTJUDKURKBK-UXHICEINSA-N 446.525 3.716 0 40 IHAB O=C(c1cccc(Cl)c1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 1431872 NMVCUMJBXZUSDM-UHFFFAOYSA-N 429.307 3.502 0 40 IHAB CCC1CCC2(CC1)NC(=O)N(Cc1nnc(-c3ccccc3Br)o1)C2=O 2631873 YRDPBSSOXPOCPA-UHFFFAOYSA-N 433.306 3.890 0 40 IHAB CCc1ccc(-n2c(SCn3nnc4ccccc4c3=O)nc3ccccc3c2=O)cc1 3313707 NURCDZQIXCXSCX-UHFFFAOYSA-N 441.516 3.803 0 40 IHAB Cc1cc(C)cc(CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)o2)c1 3494248 PEYNUELBFVPDPU-UHFFFAOYSA-N 445.566 3.667 0 40 IHAB CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)COc1ccc(C)cc1C 4943633 NDTBESKUHNOUHG-UHFFFAOYSA-N 425.485 3.798 0 40 IHAB Cc1c(OCC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)ccc2c3c(c(=O)oc12)CCCC3 6232870 SJEDGNXTYBINAW-GKVSMKOHSA-N 425.525 3.513 0 40 IHAB biogenic CC(=O)OCC(=O)C1=CC[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](OC(C)=O)C[C@@]12C 8425114 VWUYCCFTZNMQOR-AAXBUIINSA-N 444.499 3.597 0 40 IHAB Cc1ccc(S(=O)(=O)N2CC(=O)O[C@H](Cn3c4ccccc4c4ccccc43)C2)cc1 8844670 ZXYJHKWJTUNXSW-SFHVURJKSA-N 434.517 3.719 0 40 IHAB Cc1c(C)n(-c2ccc(Br)cn2)c2ncnc(NCCCn3ccnc3)c12 9421314 RFKBVNJMGWTFTI-UHFFFAOYSA-N 426.322 3.894 0 40 IHAB CCCCCCn1nc(C(=O)OCCCn2c(=O)[nH]c3ccccc32)c2ccccc2c1=O 9458434 SGSIOQKOYBYYEE-UHFFFAOYSA-N 448.523 3.867 0 40 IHAB O=C(/C=C/c1ccc(Br)o1)NCCN1C(=O)S/C(=C\c2ccccc2)C1=O 9508102 BIWCMAGUIKXBMF-QNQPVOBRSA-N 447.310 3.908 0 40 IHAB COc1cc(OC)c([C@@H]2CC(=O)N(c3cccc(Cl)c3)C3=C2C(=O)OC3)cc1OC 9510772 WFTPHNSOZDSGBG-HNNXBMFYSA-N 429.856 3.697 0 40 IHAB Cc1[nH]c2ccc(C(=O)OCC(=O)c3cc(C)n([C@H]4CCS(=O)(=O)C4)c3C)cc2c1C 9551736 OGWQCINDPZFBQB-SFHVURJKSA-N 442.537 3.602 0 40 IHAB Cc1cc(C(=O)Cn2cnc3cc(F)ccc3c2=O)c(C)n1C[C@@H]1COc2ccccc2O1 9647193 SPJINGJOHCGLAG-GOSISDBHSA-N 447.466 3.677 0 40 IHAB O=C(O)CCCC(=O)Nc1cccc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)c1 9670126 ZXXNWXGSYRVRGR-UHFFFAOYSA-N 444.481 3.996 0 40 IHAB COC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccs3)n2-n2cccc2)cc1 9707841 ZPOYUVZTHKRBKI-UHFFFAOYSA-N 439.522 3.637 0 40 IHAB COc1ccc(N(CC(=O)Nc2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 9847005 ISALGWCFYDOSNM-UHFFFAOYSA-N 428.485 3.977 0 40 IHAB C[C@H]1Cc2cc(C(=O)Nc3ccc(Br)cc3F)ccc2N1S(C)(=O)=O 10324230 JRBUWZMCSUGVSA-JTQLQIEISA-N 427.295 3.551 0 40 IHAB CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)sc(C)c1C 11612149 OPZATTQTXJPKCU-UHFFFAOYSA-N 438.571 3.824 0 40 IHAB COc1cc(CNC(=O)c2ccccc2NS(C)(=O)=O)ccc1OCc1ccccc1 12605559 RMHBIIASXOGVKG-UHFFFAOYSA-N 440.521 3.576 0 40 IHAB C[C@H](OC(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccccc1F 12756785 WNPUAONVNCSGKS-DEWSOERTSA-N 442.531 3.903 0 40 IHAB COc1cc(OC)c(OC)cc1/C=C/C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 12800964 YSNKKXBCHBQTBO-PDFOZTTASA-N 425.481 3.861 0 40 IHAB COCCOC(=O)C1=C(C)N(c2ccc3c(c2)OCO3)C(=O)N[C@@H]1c1ccc(Cl)cc1 12920972 GFLKAANOQYGGEY-HXUWFJFHSA-N 444.871 3.803 0 40 IHAB COCCn1c(SCCC(=O)Nc2ccccc2F)nc2sc(C)c(C)c2c1=O 12928258 NKABVCZQKSHRRW-UHFFFAOYSA-N 435.546 3.981 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(C(=O)OCc2cc(-c3ccccc3)on2)ccc1F 12945620 VCBCGCKTVVJMPO-UHFFFAOYSA-N 432.473 3.868 0 40 IHAB O=C(CSc1nnc(N2CCCC2)n1C[C@H]1CCCO1)C12CC3CC(CC(C3)C1)C2 12989193 LDERGTFDHHFIOF-GYVBGXKYSA-N 430.618 3.935 0 40 IHAB NC(=O)N1CCC(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)CC1 13041826 DIFNAKTVWTVMSS-UHFFFAOYSA-N 434.418 3.687 0 40 IHAB CC(=O)N(c1ccccc1)c1nc(COC(=O)[C@@H](C)NC(=O)c2cccc(C)c2)cs1 13069319 WCYLUFBEMRKKKX-MRXNPFEDSA-N 437.521 3.998 0 40 IHAB CCOC(=O)c1c(NC(=O)c2nc3n(n2)[C@@H](C(F)F)C[C@H](C)N3)sc2c1CCCC2 13124014 KRKDZBUUHMMWIJ-GXSJLCMTSA-N 439.488 3.658 0 40 IHAB Cn1cnnc1SCC(=O)Nc1ccc(C(=O)N[C@H]2CCSc3ccccc32)cc1 13126893 VTSCZVXRNGAOFX-KRWDZBQOSA-N 439.566 3.513 0 40 IHAB COc1ccc(NC(=O)[C@H](C)Sc2nnc(COc3ccc(C)cc3OC)n2C)cc1 13568864 COOIZKNHEYSDIL-HNNXBMFYSA-N 442.541 3.839 0 40 IHAB COc1ccc(-c2cc3ccc(OCC(=O)Nc4nccs4)cc3oc2=O)cc1OC 13693356 VZQPXOWPMGPIPH-UHFFFAOYSA-N 438.461 3.951 0 40 IHAB Cc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccc(C(=O)O)cc3)C(=O)[C@H]2ON1c1ccccc1 13811310 JRCAJBKWMVHQDJ-FSSWDIPSSA-N 428.444 3.744 0 40 IHAB Cc1cccc2sc(N(Cc3ccccc3)C(=O)CN3CCN(C(=O)C4CC4)CC3)nc12 15481552 OKLCPFIGLUCKCN-UHFFFAOYSA-N 448.592 3.692 0 40 IHAB COc1ccc(S(=O)(=O)[C@@H](CNC(=O)c2ccc(F)c(F)c2)c2cccs2)cc1 15780829 GNXUGVQTARTQOW-IBGZPJMESA-N 437.489 3.980 0 40 IHAB Cc1nc(N2CCN(c3ccccn3)CC2)nc2c1C(=O)C[C@@H](/C=C/c1ccccc1)C2 18223045 YGJBABVEHOGTJM-ZJVMWOEPSA-N 425.536 3.965 0 40 IHAB O[C@@H](CN1CCC(O)(c2ccc(C(F)(F)F)cc2)CC1)c1ccc2c(c1)OCCCO2 19332970 IRJKHMSQQMWFOZ-IBGZPJMESA-N 437.458 3.884 0 40 IHAB O=C(COc1ccc2c(c1)OCO2)N1CCC[C@H]1c1nnc(-c2nccc3ccccc23)o1 19376453 DYCGSIPBVAFKHM-SFHVURJKSA-N 444.447 3.756 0 40 IHAB CC(C)N1CCc2c(O)nc([C@@H]3CCCN3C(=O)c3cc4cc(F)ccc4n3C)nc2C1 19448405 HPXDFKPDHYCNLK-FQEVSTJZSA-N 437.519 3.557 0 40 IHAB CCc1n[nH]c(C(=O)N2CCC(c3nc(NC4CC4)ncc3-c3ccncc3)CC2)c1C 19520916 WUYOEQKBYLLZIK-UHFFFAOYSA-N 431.544 3.727 0 40 IHAB CCNC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CCCN(C(=O)c2cccnc2)C1 19528677 OCWMIPSBFHCXKE-SANMLTNESA-N 428.536 3.745 0 40 IHAB CCNC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)c2cnc(C)nc2C)C1 19529091 IUUPSMKYRKREGE-MHZLTWQESA-N 442.563 3.972 0 40 IHAB COc1cc2c(cc1CN1CCO[C@H](c3ccc(-c4cccc(C(N)=O)c4)cn3)C1)CCC2 19693605 PPLBKMCIFPNRCC-SANMLTNESA-N 443.547 3.918 0 40 IHAB CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CCCN(C(=O)CC3CCCCC3)C2)n1 19694518 VSFQHGPDFWLVIC-NRFANRHFSA-N 449.599 3.985 0 40 IHAB CN(C)C(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCN1C(=O)CCc1ccccc1 19696532 QACDBLKAKXWPGW-SANMLTNESA-N 431.536 3.966 0 40 IHAB COc1ccc(C)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 19860244 FBKBUBGDBPYMBU-KRWDZBQOSA-N 436.961 3.838 0 40 IHAB Cc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)NCCSCc1ccco1 20062985 GXTYFPKFLQCBKL-UHFFFAOYSA-N 442.562 3.813 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@H](C)SC2=NC(=O)C[C@H](c3ccccc3)N2)cc1 20168851 QAEALQDTQHUJFN-KBXCAEBGSA-N 425.510 3.541 0 40 IHAB CCNC(=O)c1cc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccccc2C)ccc1OC 20455797 JZXAYUHAKARMPK-QHCPKHFHSA-N 438.549 3.821 0 40 IHAB COc1ccccc1Nc1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccsc12 20516295 ZEAZLJDTDHSOOI-UHFFFAOYSA-N 437.506 3.924 0 40 IHAB COC(=O)c1sccc1NC(=O)N1CC=C(c2c(OC)cc(OC)cc2OC)CC1 25118457 ROYZJSKYYKNAKH-UHFFFAOYSA-N 432.498 3.882 0 40 IHAB Cc1ccc2[nH]c(C(=O)N3CCNC(=O)[C@@H]3c3c(C)nn(-c4ccccc4)c3C)cc2c1 25143040 AWQTVUNPKWFFHM-QHCPKHFHSA-N 427.508 3.592 0 40 IHAB COc1ccc(C)cc1CN1CCN(C(=O)c2nn(-c3ccccc3)c3c2CCC3)CC1 28028529 SXEZWEYWUSESSB-UHFFFAOYSA-N 430.552 3.636 0 40 IHAB O=C(Cn1nc(-c2cccs2)oc1=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 30971585 LPIVJIZJJFCHEQ-CYBMUJFWSA-N 426.479 3.597 0 40 IHAB COc1ccc(C2=NN(C(=O)c3cccc(Br)c3)[C@@](O)(C(F)(F)F)C2)cc1 32100958 WERWOAJCVPZMSS-KRWDZBQOSA-N 443.219 3.959 0 40 IHAB CC(=O)c1cccc(N2C(SCc3ccc(Cl)cc3)=N[C@@H]3CS(=O)(=O)C[C@H]32)c1 32639700 QJVLFELTPQBBMN-RTBURBONSA-N 434.970 3.818 0 40 IHAB COc1ccc(CNC(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1OC 44900963 DFUAEHJXTKNSPT-UHFFFAOYSA-N 440.521 3.743 0 40 IHAB CCOc1cccc(-c2noc(Cn3ncn4nc(-c5cc(C)ccc5C)cc4c3=O)n2)c1 49004356 TZYOJGHJZCKOND-UHFFFAOYSA-N 442.479 3.672 0 40 IHAB Cc1ccccc1NC(=O)Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2ccccc21 57473091 DFXKBEMTNOAZBT-UHFFFAOYSA-N 433.895 3.812 0 40 IHAB COc1ccc(-c2noc(-c3cccn3CC(=O)N3CCc4ccccc43)n2)cc1OC 57487151 RNLMTEIKPVEOLG-UHFFFAOYSA-N 430.464 3.812 0 40 IHAB Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc(Cl)cc3)c2=O)c1 57490124 SEEVFKRAPIMZAW-UHFFFAOYSA-N 425.897 3.814 0 40 IHAB COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)NCc2cccc(CN3CCCCCC3)c2)cc1 58167933 IYEMUYOUHJAGCQ-NKSQBSFPSA-N 449.595 3.906 0 40 IHAB COc1ccc([C@@H](NC(=O)[C@H](C)NC(=O)c2n[nH]c3ccccc23)c2ccccc2)cc1 58251608 UUJYZWIGAVDIOR-AOMKIAJQSA-N 428.492 3.596 0 40 IHAB CC[C@H](C(=O)NC[C@@H](c1cccs1)N1CCCC1)n1nnc(-c2ccc(Cl)cc2)n1 70036666 UOTBZEZQXGAJDS-MSOLQXFVSA-N 444.992 3.959 0 40 IHAB Cc1ccc(CNC(=O)CN2C(=O)[C@@H](c3ccccc3)N(Cc3ccccc3)C2=O)cc1 71804862 FAYOIJNZQIXZTE-XMMPIXPASA-N 427.504 3.817 0 40 IHAB Cc1nc2cc([C@H]3CCCN3C3CCOCC3)nn2c(C)c1CCC(=O)NC1CCCC1 72351294 APEYNQFPQDZSCX-HSZRJFAPSA-N 439.604 3.653 0 40 IHAB COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@H]1C[C@H]3C(=O)N[C@H](C)CCc1ccco1)NC2=O 100181790 LGMZHQOUURKDEB-HNLMHSQGSA-N 438.524 3.680 0 40 IHAB CCC(=O)N1CCc2nc3cc([C@@H]4CCCCN4Cc4ccccc4F)nn3c(O)c2C1 100233935 HHJDHQGUAPWEON-NRFANRHFSA-N 437.519 3.596 0 40 IHAB C[C@H](C(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 100626875 JLASOBDJYBSCOP-IDVKNYFZSA-N 428.554 3.938 0 40 IHAB COc1ccc(-c2nc([C@H]3CC[C@H](CNC(=O)C[C@@H]4C=CCC4)CC3)[nH]c2C(N)=O)cc1 100687875 FORZQBLIHYPUEM-LMMKCTJWSA-N 436.556 3.931 0 40 IHAB CCOC(=O)c1ccc2c(c1)s/c(=N\C(=O)c1ccc(Cl)s1)n2CC(=O)OC 100876154 MZAFGRVKBKMOFF-ZZEZOPTASA-N 438.914 3.509 0 40 IHAB Clc1ncn(C23C[C@@H]4C[C@H](CC(c5nnc(-c6ccc7c(c6)OCO7)o5)(C4)C2)C3)n1 102444078 OMJQAYNWUDRGGO-QQRKTFAASA-N 425.876 3.957 0 40 IHAB CCOC(=O)[C@H]1[C@H]2NC(=S)N(c3ccc(F)cc3)[C@@]1(C)Oc1c(OCC)cccc12 102866258 UKBLHBSJXGUZNM-FGSXEWAUSA-N 430.501 3.948 0 40 IHAB CNC(=O)NC(=O)[C@@H](C)OC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccs1)CC2 104699855 PVBRULDDFBPVHE-NXXVSJRMSA-N 435.505 3.784 0 40 IHAB COc1ccc(C23C[C@@H]4C[C@H](CC(C(=O)N5CCN(c6cnccn6)CC5)(C4)C2)C3)cc1 104744805 SXHAIYYPHDEZHI-XCGOXOSTSA-N 432.568 3.672 0 40 IHAB CC(C)(C)OC(=O)N[C@@]1(CN)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218633778 OFWVXHUKENCCBU-LQWHRVPQSA-N 436.961 3.502 0 40 IHAB COc1ccc(CN(C(=O)COc2ccccc2)[C@@H](C)C(=O)NCCc2ccccc2)cc1 223001047 LGWSGPDKJCOHBZ-NRFANRHFSA-N 446.547 3.850 0 40 IHAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN(C)C)c(C)n1Cc1ccncc1 223214661 UZIGNWICPOVFEI-DNQXCXABSA-N 448.640 3.867 0 40 IHAB Cc1cccc(OCCNC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)c1C 223950157 JYCWVFPBRMNXLZ-UHFFFAOYSA-N 438.977 3.698 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)Cc3cccc(OC)c3)cc2)cc1 224085525 YZMDHMNWBCWHMG-UHFFFAOYSA-N 440.521 3.777 0 40 IHAB Cc1ccc(C(=O)NCc2ccccn2)cc1N(C)S(=O)(=O)c1ccc(Cl)cc1 224317523 NHWYUIHTIBCMPQ-UHFFFAOYSA-N 429.929 3.799 0 40 IHAB COc1ccc(CN(C(=O)COc2cc(C)ccc2C)[C@@H](C)C(=O)NCC(C)C)cc1 224474879 BLZOSDJAOAXNRW-FQEVSTJZSA-N 426.557 3.880 0 40 IHAB COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(C)o1 225659265 XEUIQUDSTMPLHI-FGZHOGPDSA-N 436.537 3.993 0 40 IHAB COc1ccc(-c2nnc(NS(=O)(=O)c3cc4c(cc3OC)CCCC4)s2)cc1 225795666 NZNCNUARXYBSHG-UHFFFAOYSA-N 431.539 3.902 0 40 IHAB Cc1cc(Nc2ccnc(NC3CCN(C(=O)c4cccc(Cl)c4F)CC3)n2)[nH]n1 257242777 IECASKHMLUSHGK-UHFFFAOYSA-N 429.887 3.761 0 40 IHAB COc1cccc(Nc2cc(C)nc([C@H]3CCN(C(=O)Cn4nnc5ccccc54)C3)c2)c1 257273450 NGPXHFTVOPAORM-SFHVURJKSA-N 442.523 3.903 0 40 IHAB COc1cc(N2CCOCC2)c(OC)cc1[C@H]1C[C@](C)(NC(C)=O)[C@@H]2CC[C@@H](C)C[C@H]2O1 257281466 OPIIWYPOZWYNMO-FQCCDIIJSA-N 446.588 3.701 0 40 IHAB CCN(c1ccc(C(=O)NCCCN2CCC[C@H](C)C2)cc1)S(=O)(=O)c1ccccc1 260565770 UKGDHCBPYURRCN-FQEVSTJZSA-N 443.613 3.754 0 40 IHAB COC(=O)c1ccc(NC(=O)COC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)c2ccccc2)cc1 408667531 VQTMITCHORFHOF-GPHNJDIKSA-N 435.476 3.500 0 40 IHAB CCc1ccccc1NC(=O)CSc1nnc([C@H](C)NC(=O)c2cccc(C)c2)n1C 409124589 LAKKCEAHHQOSCV-INIZCTEOSA-N 437.569 3.908 0 40 IHAB O=C1NC(=O)/C(=C/c2cn(CC(=O)N3CCCCC3)c3ccc(Br)cc23)S1 409129162 IXLRARJDECBXNV-PXNMLYILSA-N 448.342 3.740 0 40 IHAB COc1cc(Br)cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c1OC 409235270 AYGKNKRUIRSKOI-CXUHLZMHSA-N 431.286 3.868 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)C1 409392335 RIYYLMIBJGLDNE-CQSZACIVSA-N 440.924 3.836 0 40 IHAB CCC[C@H](C)c1cc(NS(=O)(=O)c2ccc(Br)cc2CC(=O)OC)n[nH]1 555123574 NQVBFNQMBGXVBF-NSHDSACASA-N 444.351 3.592 0 40 IHAB Cc1csc(Nc2nccnc2[C@H]2CCCN(C(=O)/C=C/c3csc(C)n3)C2)n1 585290792 FSAGLOUWNIGSQR-NFAHFFEMSA-N 426.571 4.169 0 40 IHAB CC(=O)NCc1ccc(S(=O)(=O)Nc2ccc(-c3cn4ccc(C)cc4n3)cc2)s1 585416811 CDIVYXRYLIIESN-UHFFFAOYSA-N 440.550 3.808 0 40 IHAB CC(C)C[C@@H]1NC(=O)C2(CCCCOCCCNC1=O)CCN(CC1CCCCC1)CC2 643581751 XFPZKSINBGYDMS-QHCPKHFHSA-N 449.680 3.887 0 40 IHAB CCOC(=O)C1=NN(c2ccccc2C)C2=NC(C)=C(C(=O)OC)[C@@H](c3cccs3)N12 642638 HBZUTJWBBWXFBB-GOSISDBHSA-N 438.509 3.613 0 40 IHAB O=C(CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)Nc1ccccc1Cl 779429 MJFYUXDZXSNWJL-AWEZNQCLSA-N 429.929 3.960 0 40 IHAB COc1ccc(Cl)cc1NC(=O)C1=C(C)NC(=S)N[C@@H]1c1cccc(OC)c1OC 867218 OZEJKVVZLODOJF-GOSISDBHSA-N 447.944 3.797 0 40 IHAB COc1cc2cc(C)c(SCC(=O)NCc3ccc4c(c3)OCO4)nc2cc1OC 928288 GCANXDBEBLDFNJ-UHFFFAOYSA-N 426.494 3.698 0 40 IHAB Cc1cc(C)c2c(c1)cc(C)c1nnc(SCC(=O)NCc3ccc4c(c3)OCO4)n12 929763 PVZXMSHEUIRYBS-UHFFFAOYSA-N 434.521 3.945 0 40 IHAB COc1cc(/C=C/C(=O)OCC(=O)Nc2cccc(C(F)(F)F)c2)cc(OC)c1OC 1935072 MLMTUSCAIQHXJH-BQYQJAHWSA-N 439.386 3.926 0 40 IHAB CCOCCOC(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)OCCOCC 2053595 MLMKGXHQCGKGLY-MXXWWZHRSA-N 438.520 3.669 0 40 IHAB CC(C)(C)OC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)OC(C)(C)C)[C@H]1/C=C/c1ccccc1 2341302 XPPRYOYKKOSLAZ-LOEFFUJYSA-N 430.541 3.956 0 40 IHAB CCOCCCN1CN(S(=O)(=O)c2ccc(Cl)cc2)c2nc3ccccc3nc21 2436154 FWNHZNPUSBEVER-UHFFFAOYSA-N 432.933 3.683 0 40 IHAB COCCn1cnnc1SCC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1 3355121 AUUWGKLEIVZISY-UHFFFAOYSA-N 434.525 3.508 0 40 IHAB COCCn1c(Cc2ccccc2)nnc1SCC(=O)N1CC=C(c2ccccc2)CC1 8749061 WUKWTKFXILQEIR-UHFFFAOYSA-N 448.592 3.923 0 40 IHAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N(CCc1ccccc1)Cc1cccs1)C2=O 8900615 GUDYFEDZDGZERR-MHECFPHRSA-N 439.581 3.820 0 40 IHAB C[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)c1ccc(NS(C)(=O)=O)cc1 9203442 IEDSZXBNXKCAPU-AWEZNQCLSA-N 442.566 3.880 0 40 IHAB CC(=O)NCc1ccc(C(=O)CSc2nc(COc3ccc(Cl)cc3C)n[nH]2)cc1 9223397 FZRKARAVPXZAOJ-UHFFFAOYSA-N 444.944 3.957 0 40 IHAB O=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)Nc1ccccc1Sc1ccccc1 9255223 IYHGUGBLRCZXHA-UHFFFAOYSA-N 445.500 3.767 0 40 IHAB CCn1c(S[C@@H](C)C(=O)Nc2nccs2)nnc1[C@H](C)NC(=O)c1ccccc1F 9263341 SPRCXLFEUAZYQX-RYUDHWBXSA-N 448.549 3.504 0 40 IHAB Cc1cccc(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2c(Cl)cccc2Cl)c1 9289184 QZLXRCAEZGELPM-UHFFFAOYSA-N 445.306 3.890 0 40 IHAB CCc1cc(=O)oc2cc(O[C@H](C)C(=O)NC3CCN(Cc4ccccc4)CC3)ccc12 9510498 XMAVRFPIJCTQJU-GOSISDBHSA-N 434.536 3.904 0 40 IHAB O=C(C(=O)N1CCc2ccccc2C1)c1cn(CC(=O)N2CCCCCC2)c2ccccc12 9519458 HHJOLNLVFQDQCO-UHFFFAOYSA-N 443.547 3.812 0 40 IHAB CCCCn1nc(C)c(/C=C/C(=O)N(CC)CC(=O)NCc2ccc(F)cc2)c1Cl 9593621 QYQCVCZFDKNMQH-VAWYXSNFSA-N 434.943 3.962 0 40 IHAB COc1ccc(CNC(=O)Cn2c(NCc3ccccc3)nc3ccccc32)cc1OC 9670548 TVRUROBHESXRLS-UHFFFAOYSA-N 430.508 3.982 0 40 IHAB COc1cccc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccc(C)cc3)c3ccccc3O2)c1 9699517 VUESFKXGOZEJEU-JOCHJYFZSA-N 438.505 3.599 0 40 IHAB COc1ccc(NC(=O)CSc2nccn(-c3ccccc3OC)c2=O)cc1Cl 9761468 NAKCHMXKNFJMKI-UHFFFAOYSA-N 431.901 3.634 0 40 IHAB O=C(N[C@H]1CCSc2ccc(F)cc21)c1cccc(S(=O)(=O)NCc2ccco2)c1 9949044 DVPORQCTAPWUNB-IBGZPJMESA-N 446.525 3.864 0 40 IHAB CCOc1c(Br)cc(C(=O)OCC(=O)N2CCc3ccccc3C2)cc1OC 9960222 RIFLKJVRSCKROI-UHFFFAOYSA-N 448.313 3.598 0 40 IHAB Cc1cc(NC(=O)CCCN(C)S(=O)(=O)c2cccs2)ccc1Br 10917207 OWIICCNKNHHJDL-UHFFFAOYSA-N 431.377 3.858 0 40 IHAB Cc1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)C(c2ccccc2)c2ccccc2)n1 12123525 LDMVKELGTWUYMK-UHFFFAOYSA-N 425.492 3.912 0 40 IHAB O=C(NCc1ccc(F)cc1)C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CSC2 12313146 FQWPBKQVHGGLDR-UHFFFAOYSA-N 430.892 3.667 0 40 IHAB COc1cc(OC)c2cc(C(=O)NCCC(=O)Nc3ccc(OC)c(Cl)c3)n(C)c2c1 12325160 LSINTYWXXSWBJU-UHFFFAOYSA-N 445.903 3.616 0 40 IHAB COc1cc(OC)c(OC)cc1CNC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 12593293 GXTNXIHINNLMNI-UHFFFAOYSA-N 444.491 3.890 0 40 IHAB CC(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)NCc2ccc3c(c2)OCO3)c1 12763100 VGWYCPNCUBBCJA-UHFFFAOYSA-N 431.448 3.556 0 40 IHAB Cc1ccc(Cn2nc(C)c(C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)c2Cl)cc1 12792095 VZOINIDGNREZPZ-UHFFFAOYSA-N 446.960 3.704 0 40 IHAB C[C@H](NC(=O)CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1)c1ccccc1Cl 12820726 VPDJIJJQOOWXRV-INIZCTEOSA-N 442.943 3.883 0 40 IHAB O=C(NCc1ccc2c(c1)OCO2)c1cnn2c1N[C@H](c1ccco1)C[C@@H]2C(F)(F)F 12847791 QEUXTBPRMWXTLL-SUMWQHHRSA-N 434.374 3.795 0 40 IHAB COc1cc(CCC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc(OC)c1OC 12896352 FLWUDMBXBJXQTD-UHFFFAOYSA-N 432.948 3.643 0 40 IHAB Cc1c(-c2ccccc2)oc2c(C(=O)NC[C@H](C(C)C)N3CCOCC3)cccc2c1=O 12999833 QPMAPMDEZSLEIM-JOCHJYFZSA-N 434.536 3.855 0 40 IHAB Cc1nc(COc2ccccc2C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cs1 13000729 LGBKZASZENRJGH-UHFFFAOYSA-N 431.539 3.533 0 40 IHAB COc1ccc(CCNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 13424492 FWYSMVOHYVOOLS-UHFFFAOYSA-N 438.549 3.558 0 40 IHAB CCOC(=O)c1cccc(NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)c1C 13670253 DAPQKQDSVSHCNZ-UHFFFAOYSA-N 432.542 3.700 0 40 IHAB O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1 14180397 VTMPJOZZRFSPMF-OALUTQOASA-N 443.455 3.707 0 40 IHAB CCOC(=O)[C@H]1CSCCN1C(=O)c1cc(-c2cccs2)nn1-c1ccccc1 14184180 FBYYJDOMFGTPMO-GOSISDBHSA-N 427.551 3.722 0 40 IHAB Cc1ccccc1N(CC(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 15398086 XBGZHZLVUBGKCM-UHFFFAOYSA-N 438.505 3.600 0 40 IHAB CCc1ccc(NC(=O)CN(C)S(=O)(=O)c2c(C(=O)OC)sc3ccccc23)cc1 15864548 WQLNMJBHTNCXIY-UHFFFAOYSA-N 446.550 3.510 0 40 IHAB CN(CCOc1ccc(F)cc1)C(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 16173748 VIZSPBBLXYGRCX-UHFFFAOYSA-N 448.560 3.930 0 40 IHAB COc1ccc(OCCNC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)cc1 16517233 XUGGIQHDDYABIQ-UHFFFAOYSA-N 440.521 3.613 0 40 IHAB COc1c(F)c(F)c(C(=O)Nc2cccc(-c3nn4c(C)nnc4s3)c2)c(F)c1F 17101201 IWOVBSWDSPUWJD-UHFFFAOYSA-N 437.378 3.979 0 40 IHAB CCOC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)cc1 17306587 UKHUTYLRVRVMRV-IAGOWNOFSA-N 444.553 3.782 0 40 IHAB C[C@H](C(=O)N1CCC[C@@H]1c1nn(C)cc1-c1ccnc(N2CCCC2)n1)c1ccccc1 19459229 FUHWDVUZORAYFX-PGRDOPGGSA-N 430.556 3.945 0 40 IHAB CCCn1ccc(C(=O)N2CCO[C@@H](c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)n1 19526116 CRVHPNIXIZLUDI-MRXNPFEDSA-N 435.406 3.576 0 40 IHAB CN(C)c1ccc(C(=O)N2CCCC[C@H]2c2nc(O)c3c(n2)CN(C2CCCC2)CC3)cc1 19584793 IUGMXDRVANKUMY-QHCPKHFHSA-N 449.599 3.916 0 40 IHAB COc1cc(CN2CCNC(=O)[C@H](Cc3cccc(-c4cccnc4)c3)C2)cc(OC)c1 19595120 CISBFOSXHBFMDD-HSZRJFAPSA-N 431.536 3.557 0 40 IHAB Cn1cc(CN2CCO[C@@H](c3c(C(=O)NCCO)sc4ccccc34)C2)c2ccccc21 19697592 UKMFTZLYZKXVFQ-OAQYLSRUSA-N 449.576 3.689 0 40 IHAB Cc1nc([C@H]2CCN(C(=O)CCn3ccnc3C)C2)nc2c1CCCN2Cc1ccccc1 19707542 LZWBLWWXKUAHJB-QFIPXVFZSA-N 444.583 3.649 0 40 IHAB Cc1nc([C@@H]2CCCN2Cc2cnn(C)c2C)nc2c1CCC(=O)N2Cc1ccc(F)cc1 19740616 JYXFCBUDOMAFSC-QFIPXVFZSA-N 448.546 3.783 0 40 IHAB O=C(NCCSc1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1 20014203 QORPIYXWGSEXCL-UHFFFAOYSA-N 445.031 3.711 0 40 IHAB COCc1nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)[nH]c(=O)c1CCC(C)C 22448896 OLLKYAYJAFWYTC-UHFFFAOYSA-N 438.494 3.850 0 40 IHAB COc1ccccc1-n1cnn(CN2CCN(Cc3ccc(Cl)cc3)CC2)c1=S 22927142 HRBXXVYFILVFLO-UHFFFAOYSA-N 429.977 3.841 0 40 IHAB COc1cccc(-n2cnn(CN3CCN(Cc4ccc(Cl)cc4)CC3)c2=S)c1 22927395 PXXUZXPMXNSMCE-UHFFFAOYSA-N 429.977 3.841 0 40 IHAB Cn1c(=O)n(CCC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)c2ccccc21 23014362 ABWOGMCLVGLYAO-UHFFFAOYSA-N 449.532 3.796 0 40 IHAB Cc1ccc(Cl)cc1N1CCN(C[C@@H](O)COCCOc2ccc(Cl)cc2)CC1 23211997 YMCXTFCIPQSLLW-HXUWFJFHSA-N 439.383 3.880 0 40 IHAB CC(C)(C)c1ccc(OCCOC[C@H](O)CN2CCN(c3ccccc3F)CC2)cc1 23224732 GUSPVTVHRMDSBO-OAQYLSRUSA-N 430.564 3.702 0 40 IHAB COc1cccc([C@H](CNC(=O)c2csc(-c3ccc(OC)c(OC)c3)n2)N(C)C)c1 26244932 JNTQQJLCXVYSDX-IBGZPJMESA-N 441.553 3.869 0 40 IHAB CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)c1cc(Cl)ccc1Cl 26505787 JIJQTKAKKXOHEC-MRXNPFEDSA-N 442.730 3.862 0 40 IHAB O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)N[C@H](c1ccccc1)c1cccs1 26940274 MGMCLDKEOGZFSP-JOCHJYFZSA-N 443.546 3.589 0 40 IHAB COc1ccc(-c2nnc(C[C@@H]3C[C@@H](C(C)C)[C@H](CNS(C)(=O)=O)C=C3C)o2)cc1 30883646 WDNMZOVMCRHVAE-BJLQDIEVSA-N 433.574 3.692 0 40 IHAB biogenic,in-vitro COc1ccc(NC(=O)[C@@H]2Sc3nc(O)sc3[C@@H]3c4ccccc4OC(=O)[C@@H]32)cc1 32594621 HAZYMJSCSVRNRK-OWCLPIDISA-N 440.502 3.637 0 40 IHAB CC(=O)Nc1ccc(OC(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)cc1 32717005 ZZBLYRFOEFJOIV-UHFFFAOYSA-N 425.491 3.751 0 40 IHAB O=C1N[C@@H]2CS[C@H](CCCCC(=O)N3CCC(c4nc5ccccc5s4)CC3)[C@@H]2N1 32843279 XMSNOZBJEWQKIQ-YVWKXTFCSA-N 444.626 3.728 0 40 IHAB CC[C@@H]1c2ccsc2CCN1C(=O)CCCN(C)S(=O)(=O)c1ccc(OC)cc1 32891598 NPDOBDQLBXOYQO-LJQANCHMSA-N 436.599 3.693 0 40 IHAB Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(=O)NC2CC2)cc1 32902403 VDGMBCMUCUABPN-UHFFFAOYSA-N 449.532 3.940 0 40 IHAB CCn1c(COc2ccc(C)cc2OC)nnc1SCC(=O)Nc1nc(C)cs1 33764044 QHPRUCGCACPYFU-UHFFFAOYSA-N 433.559 3.690 0 40 IHAB Cc1nn(Cc2ccccc2)c2nc(C3CC3)cc(C(=O)NC[C@@H](C)Cn3cccn3)c12 36613389 RPKOINYOEBKWOB-QGZVFWFLSA-N 428.540 3.928 0 40 IHAB CC1CCN(Cc2csc(NC(=O)c3ccc(OCc4nccn4C)cc3)n2)CC1 40119819 JMDSMXBOQOBCGJ-UHFFFAOYSA-N 425.558 3.940 0 40 IHAB O=C(Nc1cccc(-c2cnco2)c1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 40152469 CRTVCJSOICDKOC-INIZCTEOSA-N 429.473 3.520 0 40 IHAB O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1ccc(-c2cn3c(n2)CCCC3)cc1 40156299 VXKMCQOVFXWSMB-UHFFFAOYSA-N 436.899 3.904 0 40 IHAB O=C1C[C@@H](C(=O)Nc2cc(Cl)ccc2Cl)c2c(nc(Nc3ccccc3)[nH]c2=O)N1 40399244 YROJYHXGBHAHQB-GFCCVEGCSA-N 444.278 3.885 0 40 IHAB CCc1ccc(-c2nn(CC)c(=O)c3c2CCCC3)cc1S(=O)(=O)N1CCCCC1 46027734 UJUMBLBMVWENAZ-UHFFFAOYSA-N 429.586 3.546 0 40 IHAB Cc1ccc2c(=O)c(C(=O)Nc3ccc(F)cc3)cn(CC(=O)NC3CCCCC3)c2n1 49002090 YZGHHQYZXKREIW-UHFFFAOYSA-N 436.487 3.545 0 40 IHAB CCN(Cc1ccco1)c1nc2cc(C(=O)OC)ccc2c(=O)n1Cc1ccc(F)cc1 49006474 VNNYBBITDGMBQY-UHFFFAOYSA-N 435.455 3.990 0 40 IHAB CC(=O)Nc1c(-c2ccccn2)nsc1C(=O)N1CCN(c2ccc(Cl)cc2)CC1 49007691 GGJKKZBOGGJXGV-UHFFFAOYSA-N 441.944 3.779 0 40 IHAB CCOC(=O)C1=C(CN(CC)Cc2ccccc2)NC(=O)N[C@H]1c1ccc(OCC)cc1 57415469 DYRKRALXMQZDAL-QHCPKHFHSA-N 437.540 3.779 0 40 IHAB C[C@H](NC(=O)c1cc(Br)ccc1F)c1cc(F)ccc1N1CCN(C)CC1 58159517 ZNILFNPMZNAQBO-ZDUSSCGKSA-N 438.316 3.970 0 40 IHAB CN(C(=O)c1ccc(NC(=O)NCCCC(=O)NC2CC2)cc1Cl)C1CCCCC1 58405256 ZRALDHKXWGZHKW-UHFFFAOYSA-N 434.968 3.925 0 40 IHAB C[C@H]1C[C@@H](C)CN(C[C@@H](C)NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)C1 60015697 NXBVONWVPOOUDG-CEXWTWQISA-N 429.586 3.584 0 40 IHAB CCCCn1c(SCC(=O)Nc2cc(OC)cc(OC)c2)nc2cc(C)[nH]c2c1=O 67238433 WICMOYJLZJLECL-UHFFFAOYSA-N 430.530 3.581 0 40 IHAB CN(C(=O)Cn1c(=O)cc(-c2nc(-c3ccccn3)no2)c2ccccc21)c1ccccc1 67318451 LIMNNUQKTLLJJG-UHFFFAOYSA-N 437.459 3.777 0 40 IHAB CS(=O)(=O)N1CCCCC[C@H]1C1CCN(Cc2ccccc2Br)CC1 69707111 VFPQSHPLPNLLOO-IBGZPJMESA-N 429.424 3.865 0 40 IHAB CC(C)(C)OC(=O)NC[C@@H](NC(=O)Nc1ccc(N2CCOCC2)nc1)C1CCCCC1 72275356 PYWVOSAMETYSPE-LJQANCHMSA-N 447.580 3.513 0 40 IHAB COc1ccc(OC)c([C@H](C)NS(=O)(=O)Cc2ccc(Br)cc2F)c1 72318870 FDZZKGAZXJDZJL-NSHDSACASA-N 432.311 3.786 0 40 IHAB O=C(COC(=O)c1ccccc1Br)NCc1ccccc1Br 72330012 OXGBUGZDQRUJDI-UHFFFAOYSA-N 427.092 3.685 0 40 IHAB O=C([C@H]1COc2ccccc2O1)N1CC(c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 77191041 UOIYRCBSMLWLNC-QGZVFWFLSA-N 431.370 3.521 0 40 IHAB CN(C)C(=O)c1cccc(NC(=O)CN2CCCCc3cc(Br)ccc32)c1 95458271 LSBDAXJJPAWZNA-UHFFFAOYSA-N 430.346 3.932 0 40 IHAB COc1ccc(C(=O)c2c(NS(=O)(=O)c3ccc(Cl)cc3F)nc3n2CCC3)cc1 95944151 ZNGDLMUGBPRFTB-UHFFFAOYSA-N 449.891 3.662 0 40 IHAB CC(C)(C)NS(=O)(=O)c1cc(C(=O)Nc2nonc2-c2ccccc2)ccc1Cl 97104285 ZZUDSWZOTPRXFD-UHFFFAOYSA-N 434.905 3.719 0 40 IHAB CC(C)(C)N1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3)N3c4ccccc4C=C[C@@H]3[C@@H]2C1=O 101435855 BMQUXFUCWHHGEN-MHTWAQMVSA-N 449.938 3.962 0 40 IHAB COc1ccccc1-c1cc(C(F)F)n2ncc(C(=O)NC3C[C@H]4CC[C@H](C3)N4C)c2n1 101901876 NDUVTEUQMCJKDY-HUUCEWRRSA-N 441.482 3.698 0 40 IHAB C[C@@H](SC(=S)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(=O)Nc1cccc(Cl)c1 113480336 KMMQYOMPVVOGJD-ILXRZTDVSA-N 448.013 3.966 0 40 IHAB O=C(CCc1cc(Br)ccc1OC(F)F)N[C@@H]1CCN(c2ccccn2)C1 206827523 UCALHKRLGUGLPS-OAHLLOKOSA-N 440.288 3.773 0 40 IHAB CCCOc1ccccc1CCCNS(=O)(=O)c1ccc(OC)c(N2CCCC2=O)c1 219228336 RLSOHFRRUUTBFU-UHFFFAOYSA-N 446.569 3.522 0 40 IHAB Cc1ccc(SCCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 219748709 REDOPWPUGDGUFD-IBGZPJMESA-N 439.002 3.710 0 40 IHAB COc1cc(N(CC(=O)Nc2ccc(Cl)cc2C)S(C)(=O)=O)c(OC)cc1Cl 220055333 SAOKNRUPCRTXTG-UHFFFAOYSA-N 447.340 3.724 0 40 IHAB COc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@@H](C)COc3ccccc3)c2)cc1 224045669 DAOIIKBAXBZXIT-KRWDZBQOSA-N 440.521 3.693 0 40 IHAB CN(Cc1ccc(C(=O)NCCSCc2ccco2)cc1)S(=O)(=O)c1ccccc1 224409435 XHXUEVWEOREEPN-UHFFFAOYSA-N 444.578 3.764 0 40 IHAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCC3=CCCCC3)Oc3cc(C)ccc32)cc1 224506592 QSVGITBNQKJAAL-QHCPKHFHSA-N 440.565 3.876 0 40 IHAB COc1ccc([C@H](CC(C)C)NS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)cc1 225015851 MCMCLWHMUWNWIE-HNNXBMFYSA-N 440.591 3.597 0 40 IHAB COc1ccc(CCNC(=O)/C(=C/c2ccco2)NC(=O)c2cccc(C)c2)cc1OC 225105946 ULIWZFVQULJKED-PGMHBOJBSA-N 434.492 3.735 0 40 IHAB CC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)c1ccc(C)cc1C 225500779 KGQPRZWLWQDAON-HSZRJFAPSA-N 444.597 3.980 0 40 IHAB CCCn1c(=O)sc2cc(S(=O)(=O)Nc3cc(C(=O)OCC)ccc3C)ccc21 225728278 WGQCTBXDEBXQSE-UHFFFAOYSA-N 434.539 3.759 0 40 IHAB COc1ccc(CNC(=S)Nc2nc(N3CCCC3)cc(N3CCCC[C@@H]3C)n2)cc1 225930277 PGZODXUXQAABKB-KRWDZBQOSA-N 440.617 3.951 0 40 IHAB COc1ccc(NC(=O)[C@]2(C)CCCN(c3ccc(Cl)cc3)S2(=O)=O)c(OC)c1 225950660 WIJVLJHXNKUREL-FQEVSTJZSA-N 438.933 3.685 0 40 IHAB CN(C)c1cc([C@@H]2CCCN2C(=O)C2(C)CCN(C(=O)Cc3ccccc3)CC2)ccn1 257207216 BGVDFIIBUYODRA-QFIPXVFZSA-N 434.584 3.683 0 40 IHAB CCc1nnc(Nc2cc(C)nc([C@H]3CN(C(=O)c4sc(C)nc4C)CCO3)c2)s1 257248827 JFJWWZPDHCALTE-MRXNPFEDSA-N 444.586 3.835 0 40 IHAB Cc1cccnc1Nc1cncc(C2CCN(C(=O)[C@H]3CC(=O)OC34CCCCC4)CC2)n1 257329281 XJEJSBIZEIFRQY-LJQANCHMSA-N 449.555 3.896 0 40 IHAB COc1ccc2c(CN3CCO[C@@H](c4cccc(Nc5cc(C)n(C)n5)n4)C3)cn(C)c2c1 257338272 YWSCQKWHAUNNQZ-HSZRJFAPSA-N 446.555 3.941 0 40 IHAB Cc1ccccc1N(CCCC(=O)N[C@H]1CC(C)(C)Oc2ccccc21)S(C)(=O)=O 260508047 PMQJQFRZCVUUNX-IBGZPJMESA-N 430.570 3.960 0 40 IHAB COc1ccc(Cl)cc1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 408611997 XTJBTUDHBRDEQT-HXUWFJFHSA-N 444.940 3.877 0 40 IHAB CCS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1Cl)c1ccc2c(c1)OCO2 408706010 SRZQECRNRQFOHR-UHFFFAOYSA-N 431.297 3.517 0 40 IHAB O=C(CN1C(=O)S/C(=C/C=C\c2ccccc2)C1=O)Nc1ccc(N2CCOCC2)cc1 409161275 MCGSQMGLNAXXST-UTLHMQIPSA-N 449.532 3.754 0 40 IHAB O=C(C[C@@H](c1ccsc1)n1cccc1)N1CCN(CCOc2ccc(F)cc2)CC1 524735608 NCNANDITVUAECD-QFIPXVFZSA-N 427.545 3.891 0 40 IHAB CCc1nccn1CCOc1cccc(CN2CCC[C@](O)(COc3ccccc3)C2)c1 585272026 DYYBUVZNMMFOSN-AREMUKBSSA-N 435.568 3.930 0 40 IHAB Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)N[C@@H]1Cc2ccccc2N(C)C1=O 1538752132 AJEALHYRLPSCPA-MRXNPFEDSA-N 429.398 3.986 0 40 IHAB CC(C)CNC(=O)[C@@H]1[C@H](O)[C@@H](c2ccc(F)cc2)CN1Cc1cccc(Br)c1 1848356976 DRCMECKQFOGYBC-QHAWAJNXSA-N 449.364 3.689 0 40 IHAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(C(C)C)cc3)cc2)no1 810545 SYNGIYOPZRCEJP-UHFFFAOYSA-N 429.498 3.925 0 40 IHAB COc1ccc(CCNC(=O)c2cc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)cc1 918153 YBRCBNIAWGXWDM-UHFFFAOYSA-N 430.386 3.989 0 40 IHAB Cc1ccc(NC(=O)c2ccc3c(c2)N(CC(=O)NC2CCCC2)C(=O)C(C)(C)O3)cc1 1342429 ZEPBRESYMVHRKY-UHFFFAOYSA-N 435.524 3.810 0 40 IHAB COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CC(C)C)CC(=O)N32)c1OC 2104211 MZPCVNWTOHXARC-RDPSFJRHSA-N 447.535 3.526 0 40 IHAB biogenic O=C(O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 2646183 YOZOZANENKPWEP-MRXNPFEDSA-N 446.834 3.814 0 40 IHAB CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nncs2)cc1OC 3655687 DNAZUSBZNUSBLP-SFHVURJKSA-N 435.461 3.802 0 40 IHAB CCOc1ccc2[nH]c(=O)c(CN(CCCO)C(=S)Nc3cccc(C)c3)cc2c1 4128361 QEPHZJSWUIHTRW-UHFFFAOYSA-N 425.554 3.817 0 40 IHAB COc1ccc([C@@H](c2nnnn2Cc2ccc(F)cc2)N2CCC(C)CC2)cc1OC 4847697 DBTBBNITJDQELK-QFIPXVFZSA-N 425.508 3.699 0 40 IHAB Cc1ccc(N(CC(=O)NCc2ccccc2)C(=O)CCC(=O)Nc2ccccn2)c(C)c1 8994700 LODIFWZYKVKMNK-UHFFFAOYSA-N 444.535 3.767 0 40 IHAB Cc1cc(C)c(NC(=O)COC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)c(C)c1 9119669 MBUVCFGLFRPILT-UHFFFAOYSA-N 433.508 3.844 0 40 IHAB CCc1nnc2n1N[C@@H](c1ccc(OC)cc1)[C@H](C(=O)Nc1cccc(Cl)c1)S2 9197193 SZOCQUQPMLFMIZ-ZWKOTPCHSA-N 429.933 3.900 0 40 IHAB O=C(NCc1ccccc1F)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 9223294 HBGUEJQVPMPRAZ-UHFFFAOYSA-N 426.513 3.696 0 40 IHAB Cc1ccc(C(=O)N2[C@@H](CC(=O)Nc3ccc(Cl)cc3)C(=O)N[C@H]3CCCC[C@H]32)cc1 9242922 NECZLXZYJJPSMS-HBMCJLEFSA-N 439.943 3.929 0 40 IHAB CCOC(=O)c1nn(-c2ccc(C(F)(F)F)cc2)c(=O)c2c(NC(=O)CC)scc12 9381612 DGVHMDDJVMBWPC-UHFFFAOYSA-N 439.415 3.991 0 40 IHAB O=C(Nc1ccc(OC(F)(F)F)cc1)[C@H]1CCCN(c2nc(Cl)nc3[nH]cnc23)C1 9421413 ABLCYXLJOGTQNO-JTQLQIEISA-N 440.813 3.760 0 40 IHAB COc1cccc(C(=O)Nc2nc(-c3nnn(-c4cc(F)ccc4F)c3C)ns2)c1 9639053 IUAINSRDHJFWIW-UHFFFAOYSA-N 428.424 3.633 0 40 IHAB CCOC(=O)c1ccc(Nc2nc(Nc3cc(C)cc(C)c3)nc(N3CCOCC3)n2)cc1 9708820 SVBBELQZYGWKRG-UHFFFAOYSA-N 448.527 3.989 0 40 IHAB C[C@@H](NC(=O)CSc1ncnc2c1cnn2-c1ccccc1)c1ccc2c(c1)OCCO2 9951296 XGHADFNIIRBZSQ-OAHLLOKOSA-N 447.520 3.556 0 40 IHAB O=C(CCc1csc(NC(=O)c2ccc(F)cc2)n1)NCc1ccc2c(c1)OCO2 11834893 OWJRFVPCLUAPNE-UHFFFAOYSA-N 427.457 3.512 0 40 IHAB Cc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)Cc2ccc(Cl)cc2)n1 11854444 GERHZSPNGUVUJQ-UHFFFAOYSA-N 425.901 3.827 0 40 IHAB CCOc1cc(CN2CCC(c3cc(C(F)(F)F)n4ncnc4n3)CC2)ccc1OC 12188570 ORTJBWRGXFXKEY-UHFFFAOYSA-N 435.450 3.930 0 40 IHAB O=C(NCCc1c[nH]c2ccccc12)c1ccc(CNS(=O)(=O)c2ccccc2)cc1 12390980 YTTPFEIRXSELCI-UHFFFAOYSA-N 433.533 3.619 0 40 IHAB CS(=O)(=O)c1ccc2nc(NC(=O)C3=C(c4ccccc4)SCCO3)sc2c1 12391439 OKRFKRZUFAZHJL-UHFFFAOYSA-N 432.548 3.771 0 40 IHAB COc1cc(C[C@H]2c3cc(OC)c(OC)cc3CCN2C)c(NC(=O)C2CC2)cc1OC 12416788 FGXCKOUCYZVLBG-FQEVSTJZSA-N 440.540 3.841 0 40 IHAB Cn1c(SCC(=O)NCc2ccco2)nnc1-c1ccc(NC(=O)c2ccccc2)cc1 12496529 NPQHPRNYJFQDOR-UHFFFAOYSA-N 447.520 3.736 0 40 IHAB CC1=NS(=O)(=O)NC(C)=C1CCC(=O)N1CCc2sccc2[C@H]1c1ccccc1 12949917 DRGYDRADSNTZNE-OAQYLSRUSA-N 429.567 3.585 0 40 IHAB COCCCNC(=S)NC[C@@H](c1cccc(OC)c1OC)c1c[nH]c2ccccc12 13041992 HFFCOBJPSJDCAA-IBGZPJMESA-N 427.570 3.818 0 40 IHAB CC(=O)c1ccc(N2CCN([C@@H]3CC(=O)N(c4cc(Cl)cc(Cl)c4)C3=O)CC2)cc1 13072708 OWHAPVDPMAOTGA-HXUWFJFHSA-N 446.334 3.650 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSCc3ccc(C(C)C)cc3)CC2)cc1 13146026 GYVRJAORXMDCEZ-UHFFFAOYSA-N 446.638 3.885 0 40 IHAB CC(C)(C)NC(=O)CN(C(=O)CCC(=O)Nc1nccs1)c1ccc(F)c(Cl)c1 13151132 QMMSLRKNDDPFMP-UHFFFAOYSA-N 440.928 3.602 0 40 IHAB CC(C)(C)n1nnnc1[C@@H](c1ccccn1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 13561803 CLEFHPXTRJNSAJ-LJQANCHMSA-N 445.493 3.754 0 40 IHAB COc1ccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)cc1C(=O)N1CCCCCC1 13674617 MMSXNVTYJKNDLX-QGZVFWFLSA-N 428.554 3.851 0 40 IHAB O=C(Nc1ccc(F)cc1F)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 13682260 IJEHYGAYOFJANL-NRFANRHFSA-N 444.459 3.701 0 40 IHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](CC)N(c1ccc(F)cc1)S(C)(=O)=O 13686421 LJNOSUNARIPFQJ-MGPUTAFESA-N 449.548 3.537 0 40 IHAB CSCC[C@H](NC(=O)C1CCC(C)CC1)C(=O)NCCCN1C[C@H](C)C[C@@H](C)C1 13844360 DYEZODKJFRWBRH-FFCFBIEMSA-N 425.683 3.535 0 40 IHAB Cc1cc(C)n2nc(C(=O)Nc3cc(C(F)(F)F)ccc3OCC(F)(F)F)nc2n1 14246204 PEYZAJROMNVBES-UHFFFAOYSA-N 433.312 3.953 0 40 IHAB Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@H]2[C@@H]2CCCN21 16001813 WFAMEJVXXNEJOG-YMGHSFPGSA-N 449.938 3.696 0 40 IHAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(Cc2cc(Cl)cc3c2OCOC3)CC1 16047021 OLTUCAHAFSZLRC-UHFFFAOYSA-N 430.888 3.786 0 40 IHAB Cc1ccc(NC(=O)C(=O)NCCc2csc3nc(-c4ccccc4C)nn23)cc1C 17136104 WMGWTEJVZBTLDG-UHFFFAOYSA-N 433.537 3.680 0 40 IHAB O=C(OCc1cc(=O)n2ccccc2n1)c1cc(-c2ccccc2)c(N2CCOCC2)s1 19166221 UWLWOYLGXDRIKM-UHFFFAOYSA-N 447.516 3.617 0 40 IHAB O=C1CCCC[C@]2(CN(Cc3ccc(Oc4ncccn4)cc3)C[C@H]2c2ccccn2)N1 19402267 ZQRXFTAGGALTHH-SQJMNOBHSA-N 429.524 3.692 0 40 IHAB CCNC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCCN(C(=O)Cc2ccccn2)C1 19528544 UBJATIBRAHLLSA-HHHXNRCGSA-N 442.563 3.674 0 40 IHAB Cc1nc(-c2nc(NCCCN3CCN(C)CC3)ncc2-c2ccsc2)sc1C 19560961 UXXBLQNQASMSDO-UHFFFAOYSA-N 428.631 3.995 0 40 IHAB COc1ccccc1CC(=O)N1CCC(n2c(C)nc3sc(C)c(C)c3c2=O)CC1 19561200 KLFHKCTZJSOUJI-UHFFFAOYSA-N 425.554 3.798 0 40 IHAB COCc1ccc(OC)c(CN2CCC[C@@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)c1 19594339 FOKXKGDTTXVOHN-HHXXYDBFSA-N 439.482 3.633 0 40 IHAB CC(C)c1ncc(CN2CCO[C@H](c3nc(N(C)C)ncc3-c3ccc(F)cc3)C2)cn1 19692973 GBLJKCMIHOGDLM-NRFANRHFSA-N 436.535 3.836 0 40 IHAB CNC(=O)[C@]1(Cc2cc(-c3ccccc3C)no2)CCN(C(=O)CCc2ccccc2F)C1 19703575 JWHSSBUDESBUCL-SANMLTNESA-N 449.526 3.929 0 40 IHAB Cc1nn(C)c2nc(C3CCN(C(=O)c4ccccc4Cn4ccnc4C)CC3)ccc12 19744614 CYCLLEXGFIHUJB-UHFFFAOYSA-N 428.540 3.850 0 40 IHAB CCN(CCC(=O)N1CC[C@@H](c2cc(C(=O)NC)c3ccccc3n2)C1)c1ccc(F)cc1 19760915 STCZKCABDKSMGE-GOSISDBHSA-N 448.542 3.966 0 40 IHAB Cc1nc([C@@H]2CCCCN2C(=O)c2ccc3c(c2)CCCC3)ncc1C(=O)N1CCOCC1 19765628 PRKRCKOKGWUILM-QHCPKHFHSA-N 448.567 3.504 0 40 IHAB COc1cc2ncn(CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)c(=O)c2cc1OC 20726617 ISJXJBOFJMDNSE-UHFFFAOYSA-N 441.793 3.725 0 40 IHAB COC(=O)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(Cl)c1Cl)C(C)C 20726660 ZUCJBLACTHVRBP-RDJZCZTQSA-N 425.316 3.571 0 40 IHAB Cc1ccc2sc(N(CCN3CCOCC3)C(=O)COc3ccccc3)nc2c1C 20744050 ZERQTWDPBNGRSY-UHFFFAOYSA-N 425.554 3.657 0 40 IHAB CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)N(C)Cc1c(F)cccc1Cl 22441249 VBHHVIGIUACXTO-LJQANCHMSA-N 438.952 3.754 0 40 IHAB Cc1ccc(-n2ncc3c(C(C)C)nnc(SCC(=O)NC[C@H]4CCCO4)c32)cc1C 23137819 SIJFIUYOCILTLZ-GOSISDBHSA-N 439.585 3.943 0 40 IHAB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)NCC1(N2CCOCC2)CCCCC1 23736087 ZZYQLANOQAYZLR-XMMPIXPASA-N 449.595 3.699 0 40 IHAB CCOc1ccc(C(=O)N[C@H](C(=O)NCc2ccc(NC(=O)C3CC3)cc2)C(C)C)cc1 25849030 AKQNXZVQDUVFBZ-QFIPXVFZSA-N 437.540 3.505 0 40 IHAB CCCn1c(NC(=O)c2ccccc2S[C@H]2CCS(=O)(=O)C2)nc2ccccc21 26767745 FMHIFYORQNMIPW-HNNXBMFYSA-N 429.567 3.978 0 40 IHAB O=C(Nc1cc(C(F)(F)F)ccc1F)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 28223488 JNQLWRTZRJQDAH-CYBMUJFWSA-N 430.423 3.884 0 40 IHAB CCOc1ccccc1CNC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 30848912 CEEBBWVYOQWESS-UHFFFAOYSA-N 438.549 3.982 0 40 IHAB COc1cc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCN(C)C)ccc1O 32622870 UWZPSEVPGBWHBL-HXUWFJFHSA-N 442.899 3.658 0 40 IHAB O=S1(=O)C[C@@H]2[C@H](C1)N=C(SCc1cccc(Cl)c1)N2c1ccc(F)cc1F 32640965 WFEXRLQTKGMXNJ-DOTOQJQBSA-N 428.913 3.893 0 40 IHAB O=C(COc1nc(-c2ccccc2)n2ccncc12)Nc1cc2c(cc1Cl)OCCO2 32810335 HMRNMPBWYGAPRR-UHFFFAOYSA-N 436.855 3.838 0 40 IHAB COc1ccc(Oc2cc(NC(=O)c3c(C)oc4ncn(C)c(=O)c34)ccc2OC)cc1 32892795 IWPXCSMRJUEGKD-UHFFFAOYSA-N 435.436 3.897 0 40 IHAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)C[C@@H](NC(C)=O)c1ccccc1Cl 32922402 OOBICZKQSHDUKR-QGZVFWFLSA-N 430.892 3.989 0 40 IHAB COc1ccc(-c2cnn3c2N=C(O)C[C@@H]3C(=O)Nc2cccc(C(C)=O)c2)cc1OC 35685347 SMDNWEVMBAEECO-GOSISDBHSA-N 434.452 3.941 0 40 IHAB Cc1ccc(C)c(NC(=O)Cn2nc3c4cc(-c5ccc(C)c(C)c5)nn4ccn3c2=O)c1 38487216 MHLHXYHFVDCQSK-UHFFFAOYSA-N 440.507 3.683 0 40 IHAB O=C(c1ccc(Cn2nnc3ccccc32)cc1)N(Cc1cccnc1)C[C@H]1CCCO1 40156851 JDFILYCUNCHMFQ-JOCHJYFZSA-N 427.508 3.696 0 40 IHAB Cc1cc(S(=O)(=O)NCc2ccc(CN3CCCCC3)cc2)ccc1N1CCCC1=O 44875200 IZXUXXPEOARNDS-UHFFFAOYSA-N 441.597 3.586 0 40 IHAB COc1cc(NC(=O)CN2CCC(c3nc(-c4ccc(F)cc4)no3)CC2)cc(OC)c1 49403404 WQLKTBIBOCUBNN-UHFFFAOYSA-N 440.475 3.711 0 40 IHAB COC(=O)c1cccc(NC(=O)c2c(O)c3sccc3n(Cc3ccccc3)c2=O)c1 49409606 NDUSJCUZPMVHQG-UHFFFAOYSA-N 434.473 3.856 0 40 IHAB CC(=O)NC1(C(=O)OCc2nnc(-c3cccc(Br)c3)o2)CCC(C)CC1 58321116 GLBYXUIXKNKODO-UHFFFAOYSA-N 436.306 3.627 0 40 IHAB Cc1ccc(C(=O)N2CCC[C@@H](C(=O)NCc3ccc(N4CCC(C)CC4)nc3)C2)cc1 61899683 IRTHMFLVGPPAMQ-HSZRJFAPSA-N 434.584 3.795 0 40 IHAB COc1ccc(NC(=O)CN2C(=O)C(c3ccc(C)cc3)=NC23CCCCC3)c(OC)c1 71768988 DSHZWAVDTWFHFE-UHFFFAOYSA-N 435.524 3.943 0 40 IHAB CC(C)Cn1c(SCC(=O)Nc2nccs2)nnc1[C@@H](C)NC(=O)c1ccccc1 72191889 IFPNGOUZCAYVMX-CQSZACIVSA-N 444.586 3.612 0 40 IHAB CCCN1CCN([C@@H](C)CCCN(C(=O)[C@@H]2CCCN(c3nccs3)C2)C2CC2)CC1 72305491 NOJYUJDIGHHQLA-LEWJYISDSA-N 447.693 3.547 0 40 IHAB O=C(N[C@@H]1CCc2ccc(S(=O)(=O)N(Cc3ccccn3)C3CC3)cc21)C1CCCC1 72345849 QVFCWBXIHPKFNC-HSZRJFAPSA-N 439.581 3.729 0 40 IHAB COc1cccc(CCN2C(=O)CCc3c(C)nc(CN(C)CCc4ccccc4)nc32)c1 72371037 RJFPPGLLVYMYFA-UHFFFAOYSA-N 444.579 3.990 0 40 IHAB COc1ccc2c(C)c(CCC(=O)N[C@@H](C)C[C@@H](O)c3ccc(F)cc3)c(=O)oc2c1 95423964 DVICZQUJNXXGCL-LHSJRXKWSA-N 427.472 3.810 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCOc3ccc(C)cc32)c(NC(=O)C(C)(C)C)c1 95466303 AYAUOSXCQJXSPQ-UHFFFAOYSA-N 432.542 3.966 0 40 IHAB CC(C)c1ccccc1NC(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 95471644 SCNHCGUICUHCBP-UHFFFAOYSA-N 432.542 3.766 0 40 IHAB O=C1CN(S(=O)(=O)c2cccc(Cl)c2Cl)c2cc(Br)ccc2N1 95946298 IENVSDDXWOBKGI-UHFFFAOYSA-N 436.114 3.903 0 40 IHAB Cc1cccc(C(=O)N2CCC3(CC2)C[C@@H](CC(=O)NCC2CC2)c2ccccc2O3)n1 96053124 YFOFINLISKSMGP-HXUWFJFHSA-N 433.552 3.847 0 40 IHAB O=S(=O)(NCCn1nc(-c2ccncc2)cc1C1CC1)c1ccccc1Br 96121683 JMWGCRYADWSJAE-UHFFFAOYSA-N 447.358 3.564 0 40 IHAB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3CC4)c2C(N)=O)C1 102335177 WMSULPLDRZCYDX-NTLKJNNPSA-N 430.570 3.850 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2cc(C)ccc2C)cc1 138718188 UVEBXTZBZFXQAN-UHFFFAOYSA-N 440.496 3.771 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)N(c2cccc(C)c2)S(C)(=O)=O)c(C)c1 220518817 WZJHHXCNRMPHJX-FQEVSTJZSA-N 432.542 3.663 0 40 IHAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2ccc(-n3ccnc3)cc2)c1 222576659 LDXNGXQQQIDAMN-HAHDFKILSA-N 426.476 3.861 0 40 IHAB CSc1ccc(S(=O)(=O)NCCSCc2ccccc2F)cc1NC(C)=O 223283968 IPMNKTQTFZUPLI-UHFFFAOYSA-N 428.576 3.718 0 40 IHAB Cc1ccc(C)c(OCCNC(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)c1 224040092 KDQIEDLOKHSTNC-UHFFFAOYSA-N 438.549 3.937 0 40 IHAB CCN(Cc1ccc(C(=O)Nc2cccnc2)cc1)S(=O)(=O)c1ccc(OC)cc1 224465322 LVBZHHUDOBLHLQ-UHFFFAOYSA-N 425.510 3.553 0 40 IHAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)COc1cc(OC)cc(OC)c1 224544290 PHNBHFFTAGROBH-QHCPKHFHSA-N 442.556 3.662 0 40 IHAB CN1c2ccccc2C(c2ccccc2)=C(C(=O)NCCOCc2ccccc2)S1(=O)=O 224567946 UTWDUHOSDUVDED-UHFFFAOYSA-N 448.544 3.559 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(F)c3)cc2)c(OC)c1 224956367 UGMIWBTZXSNOTD-UHFFFAOYSA-N 430.457 3.896 0 40 IHAB COc1ccc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)cc1 225925064 WJTKCHUXRPHCBS-GOSISDBHSA-N 430.570 3.590 0 40 IHAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C(=O)N1CN(C(=O)c1ccccc1Cl)c1ccccc1)[C@@H]1C[C@H]31 226399874 QQWSKVWZFKXLED-UMDHWYPISA-N 432.907 3.997 0 40 IHAB CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@H](c1ccccc1)CN2C(=O)CCCc1cn[nH]c1 257220928 DMVKYHFSVHKBAK-FKBYEOEOSA-N 438.572 3.984 0 40 IHAB CNc1nc([C@H]2CCN(Cc3cccc(OC4CCCC4)c3)C2)nc2c1CN(C(C)=O)CC2 257262784 LMXBAVJPTIFOBR-FQEVSTJZSA-N 449.599 3.734 0 40 IHAB CCCN1CCN(C(=O)c2c[nH]cn2)C[C@H](Cc2ccc(-c3cccc(C)c3)cc2)C1=O 257301400 RYHNBDCJDDPQSM-QHCPKHFHSA-N 430.552 3.938 0 40 IHAB Cc1cc(C(=O)N2CCOC[C@@H](Cc3ccc4ccncc4c3)C2)nc(N2CCCCC2)n1 257302793 SEKUDESEPBYTFA-NRFANRHFSA-N 445.567 3.655 0 40 IHAB CC(=O)O[C@H]1C[C@@H]2[C@@H]([C@H](OC(C)=O)C[C@@]3(C)C[C@H](OC(C)=O)C[C@H]23)[C@@]2(C)CCC(=O)C[C@H]12 257349754 QWVDWZWSHZMUAY-LMQKDYDVSA-N 448.556 3.613 0 40 IHAB Cc1ccc(C(=O)NC[C@H]2CC[C@]3(COCCN(c4cccc(C(F)(F)F)n4)C3)O2)cc1 306128571 HFAUCFVZDCOOAD-GCJKJVERSA-N 449.473 3.593 0 40 IHAB Cc1ccc(C)c(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(Br)cc3)CC2=O)c1 408650004 AEHNXCWAOACGGL-HNNXBMFYSA-N 445.313 3.601 0 40 IHAB Cc1cccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(Br)cc3C)CC2=O)c1 408655169 LEPZYBSCMWOWJC-HNNXBMFYSA-N 445.313 3.601 0 40 IHAB COC(=O)c1ccc(C)c(NC(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)c1 408681792 ZHVAHUJQNRYBBL-UHFFFAOYSA-N 438.933 3.620 0 40 IHAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2F)C1 408700303 CXMBSABZODOBIB-KRWDZBQOSA-N 434.533 3.997 0 40 IHAB CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1 520512863 PLVAHKNTLVHLQV-JOCHJYFZSA-N 447.514 3.723 0 40 IHAB O=C(Cc1ccc(NS(=O)(=O)c2cccs2)cc1)N1CCCC[C@H]1c1cc[nH]n1 553186916 WNCDTSQXZOYFQC-SFHVURJKSA-N 430.555 3.568 0 40 IHAB COc1ccc2c(=O)c(C(=O)N3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@@H]56)[C@@H]43)cn(C)c2c1 604405039 UUMMXSSKTYBNHN-HUFIRRDGSA-N 447.579 3.582 0 40 IHAB biogenic C[C@H]1CN(c2ccc(NC(=O)c3cc4c(C(F)(F)F)cc(O)nc4o3)cn2)C[C@@H](C)O1 618054707 MFBMDOOMZXTECV-PHIMTYICSA-N 436.390 3.813 0 40 IHAB O=C(CC1(CN2Cc3ccccc3C2=O)CCCCC1)Nc1ccc2c(c1)NC(=O)CO2 1565524701 SYJYICDYGYZEDR-UHFFFAOYSA-N 433.508 3.953 0 40 IHAB COc1ccccc1C(=O)Nc1ccc2nc(SCC(=O)N3CCOCC3)sc2c1 706030 LXXLUXYGKJVLRO-UHFFFAOYSA-N 443.550 3.508 0 40 IHAB CCOc1ccc(NC(=O)C[C@H]2C(=O)N(CC)C(=S)N2Cc2ccc(F)cc2)cc1 719173 WJMUDBKUXRUHOW-IBGZPJMESA-N 429.517 3.571 0 40 IHAB Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(O[C@@H](C)C(=O)NCCCC(=O)O)ccc12 2103585 GUDLKGHSGHRLGS-KRWDZBQOSA-N 437.492 3.749 0 40 IHAB biogenic CCOC(=O)c1sc2nc(COC(=O)c3cc4c(s3)CCCC4)[nH]c(=O)c2c1C 3288611 MIJNYXBWNXFZNH-UHFFFAOYSA-N 432.523 3.767 0 40 IHAB CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc(OCc2ccc(C(=O)OC)cc2)cc1 3418961 NTACZQJUYVGNTF-NRFANRHFSA-N 438.480 3.585 0 40 IHAB CCOC(=O)c1ccc(NC(=O)c2nnsc2NC(=O)Nc2ccc(C)cc2)cc1 3770859 VAXUYBPBKMQOAO-UHFFFAOYSA-N 425.470 3.920 0 40 IHAB O=C(O)c1ccc(-n2nc(C(=O)c3cccs3)s/c2=N\C(=O)c2ccccc2)cc1 3849349 CJCTZRGCKMJVKJ-DQRAZIAOSA-N 435.486 3.666 0 40 IHAB COc1ccc(CCNC(=O)/C(=C\c2cccs2)NC(=O)c2ccccc2)cc1OC 8425931 IHABNYZRBFOSOC-CAPFRKAQSA-N 436.533 3.895 0 40 IHAB CCN(CC)[C@@H](CNS(=O)(=O)c1ccc(OC)c(OC)c1)c1ccccc1Cl 8748344 DTXNGJQSYPZXAY-SFHVURJKSA-N 426.966 3.719 0 40 IHAB CCCOc1ccc2c(c1)sc1ncc(NC(=O)c3ccc(OC)c(OC)c3)c(=O)n12 9029135 DLDCWJVLOGWWFI-UHFFFAOYSA-N 439.493 3.968 0 40 IHAB CCc1ccc(-c2csc(NC(=O)CN3C(=O)N[C@@]4(CCCC[C@H]4C)C3=O)n2)cc1 9056580 IUZOLDYVCFPWKG-JLCFBVMHSA-N 426.542 3.812 0 40 IHAB COc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2)cc1Br 9304748 UKKOVLDJYBRTKJ-QGZVFWFLSA-N 432.343 3.889 0 40 IHAB COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)N[C@@H](C)c2ccccn2)c1 9467694 RARQNNWFFDECOR-KRWDZBQOSA-N 439.537 3.715 0 40 IHAB COc1cccc(OCCOc2ccc(/C=c3\sc4nc5ccccc5n4c3=O)cc2)c1 9471419 BULYABWVNGTZLO-HAHDFKILSA-N 444.512 3.923 0 40 IHAB Cc1sc2ncn(CC(=O)c3ccc4c(c3)NC(=O)CO4)c(=O)c2c1-c1ccccc1 9512636 IJLQNCYRUUXTNZ-UHFFFAOYSA-N 431.473 3.647 0 40 IHAB COc1ccc(-n2ccnc2S[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 9644451 CWWUEXVJQXUAMU-QGZVFWFLSA-N 438.553 3.837 0 40 IHAB C[C@H](Sc1nnc([C@H](C)Oc2ccc(F)cc2)o1)C(=O)NCc1ccc2c(c1)OCO2 9729840 QIPWWGMFDTYGJO-STQMWFEESA-N 445.472 3.874 0 40 IHAB COC[C@H](C)n1c(C)cc(C(=O)CN2C(=O)N[C@](C)(c3cc4ccccc4o3)C2=O)c1C 9753762 PGAIUZBKHKUODC-IZHWHUGBSA-N 437.496 3.708 0 40 IHAB Cc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3ccc4ccccc4c3)n2C)c1 9763076 YFDAWABJBWNWDA-UHFFFAOYSA-N 445.548 3.938 0 40 IHAB C[C@H](NC(=O)CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)c1ccc2c(c1)CCCC2 9835449 CDWGYSBROASCLB-KRWDZBQOSA-N 441.535 3.798 0 40 IHAB CCCCN(C(=O)c1ccc(Oc2ccccc2)cc1)c1c(N)n(CCC)c(=O)[nH]c1=O 9960713 DVZWRMIQHWTKPD-UHFFFAOYSA-N 436.512 3.768 0 40 IHAB COc1ccc(N(CC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c(OC)c1 10111873 DOHHDUDGZHYJIG-INIZCTEOSA-N 448.585 3.645 0 40 IHAB C[C@@H](Sc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)C(=O)Nc1ccc(F)cc1 11363827 RHTIZHJEMMQUAU-RHSMWYFYSA-N 427.501 3.834 0 40 IHAB COCCNC(=O)c1c(NC(=O)c2cc(-c3ccccc3)on2)sc2c1CCCC2 11916706 TVIYVINMWJPCHQ-UHFFFAOYSA-N 425.510 3.910 0 40 IHAB CCOc1cc(C)ccc1OCC(=O)N1CCC(c2nc(O)cc(-c3ccccn3)n2)CC1 12256474 CZEVUPXCBUEICT-UHFFFAOYSA-N 448.523 3.736 0 40 IHAB COCCn1c(SCC(=O)N2CCCC[C@H]2C)nnc1-c1cc2ccccc2cc1O 12474693 PJWLKBADYYPDAG-MRXNPFEDSA-N 440.569 3.943 0 40 IHAB COc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)c2csnn2)c2ccc(F)cc2)cc1 12636260 LXDPXTPKMHUAPJ-LJQANCHMSA-N 442.516 3.989 0 40 IHAB C[C@@H](NC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1)c1ccc(F)c(F)c1 12779697 QZDMVRILVTZVKS-OAHLLOKOSA-N 437.512 3.700 0 40 IHAB CCc1cccc(CC)c1NC(=O)Cn1nc(C)c(S(=O)(=O)N2CCC(C)CC2)c1C 12783467 ZZDKTSDKPNKIPV-UHFFFAOYSA-N 446.617 3.684 0 40 IHAB O=C(CN1c2cccc3cccc(c23)S1(=O)=O)Nc1ccccc1C(=O)NC1CCCC1 12808635 YUFVNPKVYSBNAU-UHFFFAOYSA-N 449.532 3.660 0 40 IHAB Cc1cc(Cl)ccc1NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 12870652 WJHIFPWLEVKKMY-UHFFFAOYSA-N 438.841 3.960 0 40 IHAB COc1ccc(-c2cc(=O)oc3c(C)c(O[C@@H](C)C(=O)NCCCN(C)C)ccc23)cc1 12886214 WOTSMTODWCSEFI-KRWDZBQOSA-N 438.524 3.612 0 40 IHAB biogenic NC(=O)c1ccc(COC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2ccccc2Cl)cc1 12933621 KWWXJZJFRAPAFT-QFIPXVFZSA-N 448.906 3.749 0 40 IHAB CCOC(=O)c1c(NC(=O)CN(C)CC(=O)Nc2cccc(C)c2C)sc(C)c1C 13056931 ZFAFTTGIZWUFCG-UHFFFAOYSA-N 431.558 3.667 0 40 IHAB COc1ccc(CN(C(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)[C@H]2CCS(=O)(=O)C2)cc1 13750095 QEPWMNSOPZJPKQ-LESCRADOSA-N 446.396 3.802 0 40 IHAB CC(C)(C)c1ccc(OC[C@@H](O)CN2C(=O)N[C@]3(CCCc4sccc43)C2=O)cc1 14167104 AIFCLJHNHTWDOG-HJPURHCSSA-N 428.554 3.569 0 40 IHAB CCCCOc1ccc(C(=O)NOCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1OC 14352506 MXMAKSYJNXFXHN-UHFFFAOYSA-N 430.545 3.621 0 40 IHAB CCOC(=O)[C@@H]1CCCN(CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 15350588 CGTWHBSGAFJQGR-LLVKDONJSA-N 426.357 3.938 0 40 IHAB COc1cc(NC(=O)CN(C)S(=O)(=O)c2c(C)cc(C)cc2C)c(OC)cc1Cl 16267484 WYFLETVTDQAEDF-UHFFFAOYSA-N 440.949 3.542 0 40 IHAB CC(C)Oc1cccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)c1 16609404 FNIFZIFAHMNCQN-GFCCVEGCSA-N 431.583 3.886 0 40 IHAB Cc1cccc(-c2nc3scc(CCNS(=O)(=O)c4cccc(Cl)c4)n3n2)c1 17135556 LDNKPHXLZKEJJO-UHFFFAOYSA-N 432.958 3.941 0 40 IHAB COCCOc1ccc(C(=O)N2CCC[C@@H]([C@@H]3C[C@H](C(F)F)n4nc(C)cc4N3)C2)cc1 19128216 FFZSOHKDLJURSB-YZGWKJHDSA-N 448.514 3.760 0 40 IHAB COc1ccc(CC(=O)N[C@H](Cc2cc(O)n3nc(C)cc3n2)c2ccccc2)cc1F 19129960 RNSUWXONVHOYCB-HXUWFJFHSA-N 434.471 3.534 0 40 IHAB CNC(=O)[C@@]1(Cc2ccccc2-c2cccc(C)c2)CCN(C(=O)Cc2cccnc2)C1 19235490 LVXFVTLSBSQAFC-HHHXNRCGSA-N 427.548 3.807 0 40 IHAB C[C@H](C(=O)N1CCC[C@H](c2nn(C)cc2-c2ccnc(N3CCCC3)n2)C1)c1ccccc1 19459180 UPVBEOSPHWOFGX-FPOVZHCZSA-N 444.583 3.987 0 40 IHAB CN(C)C(=O)[C@]1(Cc2ccc(-c3ccccc3F)cc2)CCCN(C(=O)[C@H]2CCCO2)C1 19578941 YWHJOFSKRPHXFW-BVAGGSTKSA-N 438.543 3.911 0 40 IHAB Cc1nc([C@H]2CCCCN2Cc2ccncc2)nc2c1CCC(=O)N2Cc1ccccn1 19695791 JREFQPDGJBAWGU-JOCHJYFZSA-N 428.540 3.782 0 40 IHAB COc1ccc(-c2cnc(NC(=O)c3cccc([C@@H]4CCc5nnc(C)n5C4)c3)n2C)cc1 19698211 IGZDIVLLRYSXTN-HXUWFJFHSA-N 442.523 3.978 0 40 IHAB Cc1nc([C@H]2CCCN2Cc2cn(CCCO)c3ccccc23)ncc1C(=O)N1CCCC1 19755928 GVWKKPZKEPAKFX-XMMPIXPASA-N 447.583 3.695 0 40 IHAB COc1ccccc1[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1 20018756 MXWNRZSYERIKJX-QGZVFWFLSA-N 446.569 3.562 0 40 IHAB COc1ccc(CN2CCN(C(=O)CCc3c(C)nn(CC(C)C)c3C)CC2)cc1F 23738434 FJXPWPAAGDUPRJ-UHFFFAOYSA-N 430.568 3.581 0 40 IHAB CCOc1cc(Br)c(CC(=O)NC2(C(=O)OC)CCCCC2)cc1OCC 25174520 ZCVLEHGBPFFIAN-UHFFFAOYSA-N 442.350 3.781 0 40 IHAB CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 25956352 CACFMTIMCKDEGP-BWKNWUBXSA-N 446.576 3.952 0 40 IHAB CC1CCN(C(=O)[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)c3ccccc3O2)CC1 26113507 OGNRNFQWDZLDHL-FQEVSTJZSA-N 434.945 3.555 0 40 IHAB COc1ccc(CCC(=O)N2CCC[C@H]2c2nnc3ccccn23)cc1Br 28499764 SAZPATACHOAXHH-INIZCTEOSA-N 429.318 3.797 0 40 IHAB CC[C@](C)(CNC(=O)c1cc(OC)c(OCc2ccccc2)c(OC)c1)N1CCOCC1 31927485 PVYMMUPBFBFILA-RUZDIDTESA-N 442.556 3.514 0 40 IHAB Cc1ccc(C)c(NC(=O)CSc2nnc([C@@H](C)NC(=O)c3ccccc3F)n2C)c1 34688069 KKSPGOZCOGVHPK-OAHLLOKOSA-N 441.532 3.793 0 40 IHAB CCc1ccc2c(c1)c1nnc(SCC(=O)Nc3ccc(OC)cc3OC)nc1n2C 35312657 NWPJLKWICREIFY-UHFFFAOYSA-N 437.525 3.827 0 40 IHAB CCOC(=O)Cn1cc(/C=C2\NC(=S)N(c3ccc(OCC)cc3)C2=O)c2ccccc21 39556495 VQDHBHAEPRESJX-MOSHPQCFSA-N 449.532 3.865 0 40 IHAB CN(C(=O)C1CC1)c1ccccc1C(=O)N1CCN(Cc2c(F)cccc2Cl)CC1 40145065 KSDUHJHETLCNAQ-UHFFFAOYSA-N 429.923 3.810 0 40 IHAB CC[C@H](C)NS(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)N[C@@H](C)CC)cc2)cc1 41096897 FCZSFJMHFZYKDX-HOTGVXAUSA-N 440.587 3.633 0 40 IHAB COC(=O)c1ccccc1NC(=O)CSc1nc2ccccc2n2c(C(C)C)nnc12 49421779 JHSZXNQPFKHPKN-UHFFFAOYSA-N 435.509 3.918 0 40 IHAB CCCCn1c(=O)c2sccc2n(CC(=O)Nc2ccc(Cl)c(Cl)c2)c1=O 57427320 MZRMONAJEJPRGI-UHFFFAOYSA-N 426.325 3.970 0 40 IHAB Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc4c(c3)CCC4)c2=O)c(C)c1 57493198 SIPZAWLPPFKJGJ-UHFFFAOYSA-N 445.544 3.958 0 40 IHAB COc1ccc2oc(C(=O)N3CCC(C(=O)c4ccc5c(c4)NC(=O)CO5)CC3)c(C)c2c1 58223018 HEUAFZPALFOCLM-UHFFFAOYSA-N 448.475 3.816 0 40 IHAB O=C(NC1CCN(c2ccccc2)CC1)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 58406094 RWUFMVDIHCRAGD-INIZCTEOSA-N 431.458 3.844 0 40 IHAB O=C(Nc1ccc(F)cc1)NC1CCN(C(=O)Nc2ccc(N3CCCC3)nc2)CC1 61384859 VZXIDEBZZKLJOL-UHFFFAOYSA-N 426.496 3.639 0 40 IHAB CC(=O)Nc1c(C)cccc1-c1nnc(SCC(=O)Nc2ccc(Cl)cc2)nc1O 64774848 CCBIFZXNXRKSIA-UHFFFAOYSA-N 443.916 3.895 0 40 IHAB O=C(Nc1nc2c(s1)CN(C(=O)c1cc(-c3cccs3)n[nH]1)CC2)c1ccco1 70638476 VQXWWBAWUMZNSV-UHFFFAOYSA-N 425.495 3.639 0 40 IHAB O=C(NC1CCCCC1)c1cc(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)ccc1Cl 71818536 UDTMJVHZTSSHNS-OAHLLOKOSA-N 443.931 3.983 0 40 IHAB COc1ccc(NC(=O)C[C@](O)(c2nccn2C)C(F)(F)F)cc1OC1CCCC1 72274640 IQCDZMYWLBNANE-IBGZPJMESA-N 427.423 3.529 0 40 IHAB O=S(=O)(CCN1CCC(c2ncc(-c3ccc(F)c(F)c3)[nH]2)CC1)Oc1ccccc1 72308280 LECWZIXZQZDYBF-UHFFFAOYSA-N 447.507 3.943 0 40 IHAB Cn1cc(C(=O)NCc2ccc(F)cc2)c(CC2CCN(C(=O)Cc3ccccc3)CC2)n1 72356039 VKVKWJVFRDHBSL-UHFFFAOYSA-N 448.542 3.513 0 40 IHAB Cc1c(C(=O)N2CCC[C@H](c3cc(C(F)F)n4ncnc4n3)C2)oc2c1C(=O)CCC2 72395379 DHNRAGYKRZLDFX-LBPRGKRZSA-N 429.427 3.502 0 40 IHAB O=C(N1CCC([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)CC1)C1(c2cccc(F)c2)CC1 72395621 GEHSNPRJIJAQGQ-DLBZAZTESA-N 437.441 3.675 0 40 IHAB COc1ccc2c(C)c(CC(=O)NCCn3ccc4ccc(F)cc43)c(=O)oc2c1OC 72401361 IEMDOXSPBMQWPB-UHFFFAOYSA-N 438.455 3.571 0 40 IHAB Cc1ccc(-n2nc(C(=O)N3C[C@@H]4CN(Cc5ccccc5)C[C@H]4C3)c3c2CCC3)cc1 79049312 COZINAYGNSPPSM-VXKWHMMOSA-N 426.564 3.873 0 40 IHAB O=C1C[C@@H](c2cnn3cccnc23)c2c(cc(O)c3c(=O)cc(-c4ccccc4)oc23)O1 96115713 SGQHNJWAHJFAPT-AWEZNQCLSA-N 425.400 3.649 0 40 IHAB biogenic COc1cc(/C=C2/N=C(c3cc(OC)c(OC)c(OC)c3)OC2=O)ccc1OC(C)C 97987562 XYNPYMCMQINETF-CXUHLZMHSA-N 427.453 3.853 0 40 IHAB C[C@H](c1ccccc1)[C@](C)(O)C(=O)OCCCOC(=O)[C@](C)(O)[C@H](C)c1ccccc1 108353564 KNIKKEJWUBPJRE-UEUXDIAVSA-N 428.525 3.572 0 40 IHAB CC(=O)OC[C@]12CC[C@H]3[C@@H](C(=O)C[C@H]4C[C@H](OC(C)=O)CC[C@]34C)[C@@H]1C[C@H](OC(C)=O)C2 123377885 SUMWMGNUBMBBTF-MMWBCNEMSA-N 448.556 3.615 0 40 IHAB CC[C@H](C(=O)NCCC1=CCCCC1)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 220748839 GTZHUXYQFIAUIV-GOSISDBHSA-N 428.982 3.900 0 40 IHAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1ccc(F)cc1 222493476 XQAQPJRFXHEQDX-JTSKRJEESA-N 430.520 3.935 0 40 IHAB CCOc1ccc(CCCNC(=O)CCCN(c2cccc(C)c2C)S(C)(=O)=O)cc1 222637174 BZEAEBYOMKPSHW-UHFFFAOYSA-N 446.613 3.997 0 40 IHAB COc1ccc(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NCCC(C)C)cc1OC 222732412 LHXAPKSOWIZCDW-LJQANCHMSA-N 426.557 3.826 0 40 IHAB C[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1)c1ccc2c(c1)CCC2 223214286 LJBHNXQUKKNCSW-KRWDZBQOSA-N 444.572 3.734 0 40 IHAB CCC1(CC)C[C@@H](NC(=O)[C@@H](c2ccccc2)N(C)S(C)(=O)=O)c2ccccc2O1 223276450 ZUEWSYFJNRZODX-TZIWHRDSSA-N 430.570 3.818 0 40 IHAB CCN1CCN(c2ccc(C(=O)OC(C)C)cc2S(=O)(=O)Nc2ccc(C)cc2)CC1 223423780 NASNLXLJTFWYDO-UHFFFAOYSA-N 445.585 3.503 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NCCCOC3CCCC3)cc2)cc1 224428467 CSBHZFKVNLTWNF-UHFFFAOYSA-N 444.597 3.895 0 40 IHAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-n2cnnc2)c1C 224559106 IXUXSSPSXWQPAU-FGZHOGPDSA-N 445.552 3.589 0 40 IHAB CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCCOc1ccc(OC)cc1 224619737 SEWGWOHELGRWEF-HSZRJFAPSA-N 426.557 3.840 0 40 IHAB CC[C@H](C(=O)N[C@@H](C)c1cc(OC)ccc1OC)N(c1cc(C)cc(C)c1)S(C)(=O)=O 225006590 AYYQDJVFXCTORT-LAUBAEHRSA-N 448.585 3.743 0 40 IHAB C[C@@H](C(=O)NCCSC1CCCC1)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 225451684 CPRJJQCJFNGFFE-ZDUSSCGKSA-N 438.537 3.652 0 40 IHAB COc1ccc(N2C(=O)CS[C@@]23C(=O)N(CN2CCC(C)CC2)c2ccccc23)cc1 226762655 LBJPKDMUEIGHAZ-DEOSSOPVSA-N 437.565 3.664 0 40 IHAB CCOc1ncc([C@]2(O)CCC[C@H]3CN(Cc4ccc(F)cc4F)C[C@H]32)c(OCC)n1 253380788 BRZGWDBIKWMXMV-FCORRRHLSA-N 433.499 3.672 0 40 IHAB COc1ccccc1-c1cccc(C[C@]2(C(=O)NCCCN3CCCC3=O)CCCO2)c1 257222493 DTMHWVXDXAWZQY-SANMLTNESA-N 436.552 3.583 0 40 IHAB Cc1cc(C(F)F)n(CC(=O)N2[C@@H](Cc3ccccc3)[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)N3)n1 257277976 OAFKFXBGPRIWGV-FUSFTIQSSA-N 428.527 3.872 0 40 IHAB COc1ccc(CN(C)CC(=O)N2CCO[C@H](c3cccc(-c4cccc(F)c4)n3)C2)cc1 257295989 RASPNSJYCXRBBB-VWLOTQADSA-N 449.526 3.928 0 40 IHAB O=C(Cc1cccnc1)N1CCC2(CC1)CC(c1ccccc1)=NN2C(=O)c1ccccc1 306140017 UHHCPSAGMHHKME-UHFFFAOYSA-N 438.531 3.936 0 40 IHAB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NC2CCCCCC2)cc1 409014807 KLTHIGAODXTOBG-UHFFFAOYSA-N 444.597 3.768 0 40 IHAB C[C@@H](CCNC(=O)c1ccc(Cn2cc(Br)cn2)s1)N1CCCCC1 1633864254 KWOJUTKAUSCVJE-AWEZNQCLSA-N 425.396 3.750 0 40 IHAB CN1C(=O)COc2ccccc2CCCCO[C@H]2CN(Cc3ccc(Cl)cc3)C[C@@H]21 2037980999 PYLLSRHKCHQLTP-GMAHTHKFSA-N 428.960 3.783 0 40 IHAB C[C@H]1CC[C@]2(OC1)O[C@@H]1C[C@@H]3[C@@H]4C[C@@H](O)[C@H]5C[C@@H](O)[C@@H](O)C[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]1[C@@H]2C 2049252019 FYRLHXNMINIDCB-NHCRFTLJSA-N 448.644 3.735 0 40 IHAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Cl)c(=O)n2[C@@H]1c1cccs1 631613 LBYRYAHQGKMPRG-MUMAZLPKSA-N 444.965 3.513 0 40 IHAB CCc1cc2c3c(c(=O)oc2cc1OCC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)CCCC3 2112255 DMIBOEQGDVBRAP-WXTAPIANSA-N 439.552 3.767 0 40 IHAB biogenic CC1(C)Cc2cccc(OCC(=O)OCC(=O)Nc3ncc(Cl)cc3Cl)c2O1 3262034 ZOXWRIRTOCKNOY-UHFFFAOYSA-N 425.268 3.663 0 40 IHAB COc1cc(C(=O)OCC(=O)NCCc2ccc(Cl)cc2Cl)cc(OC)c1OC 3308665 GANFHRONATZVKG-UHFFFAOYSA-N 442.295 3.535 0 40 IHAB COc1ccc(/C=C2\SC(=O)N(CCNC(=O)/C=C/c3ccc(F)cc3)C2=O)cc1 3360039 YXMOOCQFMBRMDQ-LVUASEOMSA-N 426.469 3.700 0 40 IHAB COCCn1c(SCC(=O)NC2CCCCC2)nc2sc3c(c2c1=O)CCCC3 3601047 NZEWVABQUCICPX-UHFFFAOYSA-N 435.615 3.524 0 40 IHAB COc1ccc(N(Cc2cccs2)C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1 8898654 FFQYUWOXPVOVIG-DEOSSOPVSA-N 449.532 3.757 0 40 IHAB COC(=O)Cn1/c(=N/C(=O)c2ccc(Cl)cc2Cl)sc2cc(OC)ccc21 9077597 ZZEFRUUZWKWCNT-UZYVYHOESA-N 425.293 3.932 0 40 IHAB Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)cc1 9235663 UDKPUYMYYSRWJS-XSFVSMFZSA-N 437.521 3.507 0 40 IHAB CCn1c(CC(=O)Nc2ccc(C)c(C)c2)nnc1SCC(=O)Nc1nc(C)cs1 9262416 LSKNNNCGXJTHNV-UHFFFAOYSA-N 444.586 3.592 0 40 IHAB Cc1cc2cc(CCNC(=O)c3ccccc3I)c(=O)[nH]c2cc1C 9428135 VNZRUWMPXICZJS-UHFFFAOYSA-N 446.288 3.722 0 40 IHAB CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCO[C@@H](C)C3)c2)cc1 9468243 CUZSXPDQRUQROO-SFHVURJKSA-N 430.570 3.999 0 40 IHAB COc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-n2cccc2)c(OC)c1 9737744 BLUTUEPFLYFRJQ-UHFFFAOYSA-N 435.509 3.806 0 40 IHAB CCN(C(=O)c1cn(Cc2ccccc2)nc1-c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 9882214 SJRNPMKJTNBNLI-OAQYLSRUSA-N 437.565 3.556 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3C[C@@H]3c3ccccc3Cl)CC2)cc1C 10086396 UHIAAAKMABZWAN-UXHICEINSA-N 432.973 3.593 0 40 IHAB Cc1ccc(-n2c(C)cn3c4c(=O)n(C/C=C/c5ccccc5)c(=O)n(C)c4nc23)c(C)c1 10271832 DNCPYNRKKJYKFX-DHZHZOJOSA-N 439.519 3.777 0 40 IHAB COc1cccc(N(CC(=O)N2CCCCCC2)S(=O)(=O)c2cc(C)ccc2OC)c1 10300100 AFUASVQVRXMSRD-UHFFFAOYSA-N 446.569 3.610 0 40 IHAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1 10864216 XQTNUFJCGIVCRL-CQSZACIVSA-N 440.459 3.666 0 40 IHAB CCCOc1c(Br)cc([C@H]2NC(=S)NC(C)=C2C(=O)OC)cc1OCC 11213234 MFGDMBVYBPQFGK-OAHLLOKOSA-N 443.363 3.602 0 40 IHAB Cc1ccc2c(COC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)cc(=O)oc2c1C 11434895 CAHUZVGMWKCTOF-UHFFFAOYSA-N 441.505 3.551 0 40 IHAB COc1cc(-c2nnc(COC(=O)c3cccc(OC(F)F)c3)o2)cc(OC)c1OC 11461603 LZKILBYXXHHEAG-UHFFFAOYSA-N 436.367 3.721 0 40 IHAB CCOc1ccccc1-c1noc(COC(=O)c2ccc(OCc3noc(C)n3)cc2)n1 12077610 UDCISLUVCXXQCQ-UHFFFAOYSA-N 436.424 3.763 0 40 IHAB COc1cc(C(=O)NC[C@H](c2ccco2)N2CCc3ccccc3C2)cc(OC)c1OC 12342357 VROFBBMKUZBPKP-HXUWFJFHSA-N 436.508 3.835 0 40 IHAB CCCCNS(=O)(=O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 12526108 WRGKUXGKHJMYBF-UHFFFAOYSA-N 437.370 3.873 0 40 IHAB Cc1ccc(N(C(=O)c2csnn2)[C@@H](C(=O)NC2CCCC2)c2ccncc2)c(C)c1 12637025 UOTNQQFOFUIDAC-OAQYLSRUSA-N 435.553 3.997 0 40 IHAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CSc1nnnn1C1CC1 12795729 GZYFYPPGKWTPKT-UHFFFAOYSA-N 429.527 3.644 0 40 IHAB CC(=O)c1cc2c(cc1NC(=O)CSc1nnc(NCc3ccccc3)s1)OCO2 12796080 IYSWHGIZZBZTKU-UHFFFAOYSA-N 442.522 3.812 0 40 IHAB O=C(NCc1ccc(N2CCOCC2)nc1)C1(c2ccc(Br)cc2)CCCC1 12944758 XJZXOFXZVFVIAT-UHFFFAOYSA-N 444.373 3.809 0 40 IHAB COCCn1nnnc1[C@@H](C(C)C)N(Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 13498597 ARBABSUVOBILMB-JOCHJYFZSA-N 438.576 3.611 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C)c2)c2ccc(C)cc2)cc1 13673381 NPGUQBGFTFSPBV-UHFFFAOYSA-N 438.549 3.824 0 40 IHAB CC(C)NC(=O)c1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 13679087 WBAQENMWKRISSD-UHFFFAOYSA-N 443.550 3.939 0 40 IHAB CCCCNC(=O)c1ccccc1NC(=O)[C@H](CC)N(c1ccc(C)cc1)S(C)(=O)=O 13686186 AAEQVXZRZOUDQA-NRFANRHFSA-N 445.585 3.708 0 40 IHAB Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1Cl 15415309 YNHHIGQLGNISNW-UHFFFAOYSA-N 429.325 3.575 0 40 IHAB COc1ccc(CNC(=O)CN(C(=O)c2csnn2)c2cccc3ccccc23)cc1 15935916 HZXHLUXNKZXDFM-UHFFFAOYSA-N 432.505 3.663 0 40 IHAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nc3sc4c(c3c(=O)n2C)CCCC4)c1C 16049139 DKURPAKYIWHALN-UHFFFAOYSA-N 429.567 3.996 0 40 IHAB c1cc2c(cc1-c1ccc(SCc3nc(-c4ccc5c(c4)OCO5)no3)nn1)OCO2 16845679 JPHCQEOYEMUZNA-UHFFFAOYSA-N 434.433 3.943 0 40 IHAB CN(CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[C@H]1CCCc2ccccc21 18935279 HNARBPHPTVNIDX-IBGZPJMESA-N 435.977 3.538 0 40 IHAB C[C@H](Oc1cccc(F)c1)C(=O)N1CCC(c2nc(O)cc(-c3nccs3)n2)CC1 19078057 LNOWFYBXXOLCHB-ZDUSSCGKSA-N 428.489 3.618 0 40 IHAB CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CCCN(C(=O)[C@H]2CCCO2)C1 19448771 GDDJSQDHCBYWRW-ZEQKJWHPSA-N 435.568 3.604 0 40 IHAB Cc1cc(CCCC(=O)N2CC[C@H](c3nc(N(C)C)ncc3-c3cncnc3)C2)ccc1F 19695047 PYYIFPLAGUQVDL-IBGZPJMESA-N 448.546 3.786 0 40 IHAB Cc1cc(C)n(CC(=O)N2CCC(c3ccc(C(=O)Nc4ccc(F)cc4)cn3)CC2)n1 19705768 LPMURIRQSBZFEA-UHFFFAOYSA-N 435.503 3.693 0 40 IHAB Cc1nc([C@@H]2CCCCN2C(=O)Cc2c[nH]c3ccccc23)nc2c1CC(=O)N2CC1CC1 19739671 SHZQPICIXCQJOL-QFIPXVFZSA-N 443.551 3.862 0 40 IHAB COc1ccccc1CNc1n[nH]c2nc([C@@H]3CCCN(C(=O)c4ccccn4)C3)ccc12 19742936 OFUHMOWEZNRJNW-GOSISDBHSA-N 442.523 3.993 0 40 IHAB COc1ccccc1CCC(=O)N1CCC[C@H]1c1nc(C)ncc1C(=O)N1CCCCC1 19766758 PAZAMXMXAXSKQU-NRFANRHFSA-N 436.556 3.716 0 40 IHAB CCCc1nn2c(=O)cc(COc3ccc(NC(=O)c4cccs4)cc3)nc2s1 20859489 RZMHHSTTYRZYQK-UHFFFAOYSA-N 426.523 3.996 0 40 IHAB CCOc1ccccc1OCCCC(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 21600675 WMEKLFBIOUIIAG-SFHVURJKSA-N 426.513 3.792 0 40 IHAB COc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)c(C)c2)cc1 22380986 UNYRPFPGCZWXKU-UHFFFAOYSA-N 440.521 3.846 0 40 IHAB CC[C@@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccc(C)cc2)CC1)c1ccc(OC)cc1 22522913 YJSFFJWTVMFGJM-HSZRJFAPSA-N 444.597 3.813 0 40 IHAB CN1CCN(c2ccc(CNC(=O)Cn3c(-c4ccccc4)cc4ccccc43)cn2)CC1 23318345 BPFCXPMLIXFLBR-UHFFFAOYSA-N 439.563 3.772 0 40 IHAB COc1ccc2c(C)c(CCC(=O)N[C@H](c3cccc(F)c3)c3nccn3C)c(=O)oc2c1 24016443 FEGGWDBYMILQNL-HSZRJFAPSA-N 449.482 3.821 0 40 IHAB CN(CCOc1ccccc1Cl)C(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 24185337 HDSQSEHYQWDEBY-UHFFFAOYSA-N 425.916 3.927 0 40 IHAB COc1ccc([C@H](CNS(=O)(=O)c2ncn(C)c2Cl)c2c[nH]c3ccccc23)cc1 27945621 FYEXMEYFHAOOFT-KRWDZBQOSA-N 444.944 3.674 0 40 IHAB C[C@H](NC(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1)c1ccc(S(N)(=O)=O)cc1 32476274 ARDKIRQXWDIQAU-KRWDZBQOSA-N 446.532 3.678 0 40 IHAB CCc1nnsc1C(=O)Nc1cc(S(=O)(=O)N(CC)c2ccccc2)ccc1OC 32740654 QUISNKGRICAMSG-UHFFFAOYSA-N 446.554 3.577 0 40 IHAB Cc1ccc(C(=O)NCCNC(=O)[C@H]2CCCN(c3nc4ccccc4s3)C2)cc1F 32932297 PVUDUQCCCKJPQW-KRWDZBQOSA-N 440.544 3.506 0 40 IHAB COC(=O)c1cc(NC(=O)c2c3c(nn2-c2ccccc2)CCCC3)cc(C(=O)OC)c1 36396575 ZQHQLSQUPSHMAA-UHFFFAOYSA-N 433.464 3.577 0 40 IHAB COc1ccc(C(=O)N2CCc3ccccc3C2)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 36646690 PFNXMUMYLJYQIC-ROUUACIJSA-N 442.581 3.560 0 40 IHAB CCCc1nnsc1C(=O)NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(C)cc1 38563568 NVMLBYLNKJCMCF-KRWDZBQOSA-N 435.596 3.806 0 40 IHAB O=C(Cc1csc(-c2ccsc2)n1)NC[C@@H](O)COc1ccc(C(F)(F)F)cc1 48300213 GPQZYPONZZMNAF-OAHLLOKOSA-N 442.484 3.989 0 40 IHAB Cc1ccc(NC(=O)c2cnc(-c3ccccc3)nc2)cc1S(=O)(=O)N1CCCCC1 48302413 QBKYNDFLAUAWCZ-UHFFFAOYSA-N 436.537 3.879 0 40 IHAB Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc4c(c3)CCC4)c2=O)cc1C 57491315 SBPCZJXOQRGIKP-UHFFFAOYSA-N 445.544 3.958 0 40 IHAB CCN(Cc1ccccc1)C(=O)Cn1c(=O)n(-c2ccc(C)cc2C)c(=O)c2sccc21 57492948 RLWHSEKLKFPEGD-UHFFFAOYSA-N 447.560 3.879 0 40 IHAB CCN(CC)CCOc1ccccc1NC(=O)N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 65610868 RBAGLRHIGYSJDL-OYRHEFFESA-N 446.636 3.760 0 40 IHAB O=C(Cn1ncn2nc(-c3cccc4ccccc34)cc2c1=O)N[C@@H]1CCc2ccccc21 67208678 XTVISNMUXPZQBB-JOCHJYFZSA-N 435.487 3.515 0 40 IHAB NC(=O)C(c1ccccc1)(c1ccccc1)[C@H]1CCN(CCc2ccc3c(c2)OCC3)C1 71605734 STVWFEWJRUQWRH-VWLOTQADSA-N 426.560 3.958 0 40 IHAB O=C(CN1CC[C@H](c2cc(CCOc3ccc(F)cc3)[nH]n2)C1)Nc1ccc(F)cc1 72371239 UEWWNOAHQHBHJM-INIZCTEOSA-N 426.467 3.737 0 40 IHAB O=C(c1ccc(O)cc1)C1CCN([C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1 78808797 HQZHSTBSJROWHD-HXUWFJFHSA-N 448.441 3.991 0 40 IHAB Cc1nc2ccccc2n1CCCNC(=O)c1cc(Br)c2c(c1)OCCO2 95957804 BTMPBYWHRPDRGB-UHFFFAOYSA-N 430.302 3.699 0 40 IHAB CCc1ccc(S(=O)(=O)N2CCC(Oc3ncccc3Br)CC2)s1 96097014 HANXDPNCBWPAKL-UHFFFAOYSA-N 431.377 3.700 0 40 IHAB COc1ccc([C@@H]2c3c(cc(C)oc3=O)O[C@@H]2C(=O)Nc2ccc(Cl)cc2)cc1O 96336020 ZALLGLVRKPITCR-QUCCMNQESA-N 427.840 3.847 0 40 IHAB COc1ccc(/C=C2/SC(=O)N(CCNC(=O)c3cc(Cl)ccc3OC)C2=O)cc1 96551182 NTAQJYPIUSTNJE-WOJGMQOQSA-N 446.912 3.824 0 40 IHAB CC[C@H](C)N1C(=O)[C@H]2[C@@H]3C=Cc4ccc5cccnc5c4N3[C@H](C(=O)C(C)(C)C)[C@@H]2C1=O 101097881 AFBKHIUFLLKDFT-QFGLTROSSA-N 431.536 3.834 0 40 IHAB Cc1ccc(C)c(C(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2)c1 101154377 GAEPJJNTDQBPND-ZCVTWQBDSA-N 429.472 3.655 0 40 IHAB C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 105049900 QKTAKMAVFSFXOB-RHSMWYFYSA-N 447.329 3.764 0 40 IHAB O=C(Nc1ccccc1)N1CC[C@@H]2CN(Cc3cccc(Cl)c3)S(=O)(=O)[C@@H]2CC1 107183644 CEJPENWXKYESAH-YLJYHZDGSA-N 433.961 3.798 0 40 IHAB CCc1ccc(N([C@@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)S(C)(=O)=O)cc1 220271005 YANIZIFUDRQXRW-IBGZPJMESA-N 428.598 3.885 0 40 IHAB C[C@H](C(=O)NCCSc1ccc(Cl)cc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220446131 OSJMWSRZVDNURL-GFCCVEGCSA-N 448.944 3.681 0 40 IHAB CC[C@H](C(=O)NCc1ccccc1Cl)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O 222506214 GZEMDGYQYFFNPX-QGZVFWFLSA-N 433.332 3.994 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCc2cccc3ccccc23)cc1 222746114 ZBAONAQGMJRXRS-UHFFFAOYSA-N 426.538 3.566 0 40 IHAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc2c(c1)OCO2 222894887 KACYTUQZYVIBMT-OAQYLSRUSA-N 440.540 3.689 0 40 IHAB COc1ccc(OCCNC(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1 223934789 WHCBNOISUMYJBX-UHFFFAOYSA-N 440.521 3.613 0 40 IHAB COc1cc(OC)cc(OCC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NCC(C)C)c1 224164882 QYSMYFUETDDYCR-LJQANCHMSA-N 442.556 3.581 0 40 IHAB COc1cccc(CN(C(=O)COc2cccc(C)c2C)[C@@H](C)C(=O)NCC(C)C)c1 224452245 YDMGZAFHPBYLFM-FQEVSTJZSA-N 426.557 3.880 0 40 IHAB CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1ccc(Br)cc1 225062183 PQOIGKFFEIUKAJ-KRWDZBQOSA-N 447.373 3.814 0 40 IHAB CCCOc1ccccc1CCCNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 225570108 FJDOTKLAKRKWLO-UHFFFAOYSA-N 430.570 3.623 0 40 IHAB CSc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2Cl)s1 225627844 MPHFVPLLKSCNQW-UHFFFAOYSA-N 447.007 3.586 0 40 IHAB O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)[C@@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 247744932 QADUAXCNBGLLNQ-XTDOFWJNSA-N 445.412 3.840 0 40 IHAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCCCC2)N2[C@H](c3ccccc3)Oc3ccccc3[C@H]12 250657689 CLQLSXXVURXKCC-XJUOHMSHSA-N 433.508 3.682 0 40 IHAB O=S(=O)(N[C@@H]1CC[C@@H]2OCCO[C@@H]2C1)c1ccc(-c2cccc(C(F)(F)F)c2)cc1 253408269 XJYXYWIIMVMLKR-YZGWKJHDSA-N 441.471 3.987 0 40 IHAB CCCn1cnc2sc(C(=O)N3C[C@@H]4C[C@@]5(C)[C@H](CCCC[C@@H]35)N4C)c(C)c2c1=O 257260700 LDYLJWDDVKHGNU-JHQQDIAJSA-N 428.602 3.654 0 40 IHAB Cc1cccc(Nc2cncc(C3CCN(C(=O)[C@@H]4CC(=O)OC45CCCCC5)CC3)n2)n1 257338543 YXWXRYJJPSWLJG-IBGZPJMESA-N 449.555 3.896 0 40 IHAB COc1ccc(N([C@H](C)C(=O)NCCc2ccc(Cl)cc2)S(C)(=O)=O)cc1Cl 260853371 XJTRDVXDZAWFMP-CYBMUJFWSA-N 445.368 3.515 0 40 IHAB O=C(CNS(=O)(=O)c1cc(Cl)ccc1Cl)Nc1ccc(Br)cc1 303098524 GNCXIRSJUIVJDA-UHFFFAOYSA-N 438.130 3.673 0 40 IHAB CCCc1nnc(SCC(=O)Nc2sc(C(C)=O)c(C)c2C(=O)OCC)n1CC 408637499 LHOFWBKFDKYVPI-UHFFFAOYSA-N 438.575 3.731 0 40 IHAB Cc1cccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)c2)c1C 408652884 DHFWGKAQVDQKCO-BGYRXZFFSA-N 434.492 3.779 0 40 IHAB CCCOC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2cc(C)ccc2C)cc1 408661643 FYYNLWIUDMHGJS-UHFFFAOYSA-N 440.496 3.771 0 40 IHAB CCc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4C[C@H](C)CC[C@H]4C3=O)cc2)cc1 408662900 OCFHDALRELPYHY-HVETUWLQSA-N 448.519 3.970 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccccc1C(=O)NC(C)C 408704083 XIBFAFXCMPKABF-UHFFFAOYSA-N 443.569 3.560 0 40 IHAB CCOC(=O)C1=C(C)N=c2s/c(=C/C=C/c3ccccc3)c(=O)n2[C@@H]1c1ccc(F)cc1 408812133 LKZPCUPVADUTJS-CZOCFHOSSA-N 448.519 3.603 0 40 IHAB O=C(CN1C(=O)S/C(=C/c2ccc(Cl)s2)C1=O)N1CCN(c2ccccc2)CC1 409014808 KMGMNXCKBAAOKC-FOWTUZBSSA-N 447.969 3.787 0 40 IHAB O=C(c1cnn(-c2ccccc2)n1)N(CCn1ccc(-c2ccncc2)n1)C1CCCC1 575614693 BHLBGEGLECNOOW-UHFFFAOYSA-N 427.512 3.611 0 40 IHAB O=C(O)c1cc(OC2CCCCC2)c(F)cc1NS(=O)(=O)CCOCC(F)(F)F 579782663 IQRGYNNKTRYYHU-UHFFFAOYSA-N 443.415 3.556 0 40 IHAB O=S(=O)(NC[C@H](O)c1ccc(-c2ccco2)cc1)c1ccccc1OC(F)(F)F 618255771 IWAPVJHLCAKMSB-HNNXBMFYSA-N 427.400 3.857 0 40 IHAB CCN1CCC[C@H]1CNC(=O)c1ccc2c(c1)CNCCCCCCCN2C(=O)C(C)C 643584230 YKGPQONMONLZJZ-QHCPKHFHSA-N 442.648 3.943 0 40 IHAB O=C(NCCc1ccc(-c2ccccc2)cc1)NCc1ccccc1CN1CC[C@@H](O)C1 679764699 XNFZPCWFPDXWBI-AREMUKBSSA-N 429.564 3.962 0 40 IHAB CCCc1nc2ccccc2n1CC(=O)N1CCC2(CC1)CC(=O)NC[C@H]2c1ccccc1 1848357629 ZPDBASIRIOQALE-NRFANRHFSA-N 444.579 3.901 0 40 IHAB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccc(Br)c2)n2nnnc2N1 646479 RYOWSDIUHAYQJY-QGZVFWFLSA-N 425.290 3.672 0 40 IHAB Ic1ccc(Nc2nc3nonc3nc2N2CCCCCC2)cc1 714217 CNIRWXFQYXJDKE-UHFFFAOYSA-N 436.257 3.741 0 40 IHAB Cc1cc2cc3c(cc2n2c(SCC(=O)N4c5ccccc5C[C@H]4C)nnc12)OCO3 877478 JCNJWAAWZBVSDE-CQSZACIVSA-N 432.505 3.990 0 40 IHAB Cc1cc(C)nc(SCc2nnc(SCC(=O)Nc3c(C)cccc3C)n2C)n1 907013 LXFUDUOCGDHOGH-UHFFFAOYSA-N 428.587 3.862 0 40 IHAB O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)NC1=S)Nc1cccc(C(F)(F)F)c1 1893257 WKLMEZVZMVLAGT-BJXWFGTRSA-N 431.439 3.958 0 40 IHAB O=C(CSc1nnc(Cc2cccs2)n1CCc1ccccc1)NCC(F)(F)F 3322745 OJLCWHSNXHSYRF-UHFFFAOYSA-N 440.516 3.944 0 40 IHAB COc1ccccc1NC(=O)Cc1nc(CSc2nnnn2-c2ccccc2)cs1 3388723 OZKIZJFJEDPQHB-UHFFFAOYSA-N 438.538 3.601 0 40 IHAB COc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)c2ccc(NC(=O)C4CCCCC4)c(=O)n2C3)cc1 6131117 SNXQFUPGJUDMPE-FXAWDEMLSA-N 449.551 3.635 0 40 IHAB biogenic,in-vitro Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)N(C)Cc2ccc(Cl)cc2)s1 8594557 UBNPOSJLWUBQME-UHFFFAOYSA-N 436.946 3.573 0 40 IHAB aggregator CC[C@@H](C)[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(=O)N(CC)CC 8694334 VDLYJQCMLYRAIR-VGOFRKELSA-N 439.556 3.960 0 40 IHAB O=C1NC(=O)[C@@]2(Cc3cc(C(F)(F)F)ccc3N3CCCC[C@@H]32)C(=O)N1c1ccccc1 8694600 DRZXBJKKIOTUEP-GCJKJVERSA-N 443.425 3.890 0 40 IHAB Cc1cc(C(=O)COC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)c(C)n1C[C@@H]1CCCO1 8713708 UZHBCLZOZGECHE-RDJZCZTQSA-N 442.537 3.756 0 40 IHAB O=C(c1cccs1)N1CCc2ccc(NS(=O)(=O)CCc3ccccc3)cc2C1 8977296 NAPJDKJSPUIHGL-UHFFFAOYSA-N 426.563 3.931 0 40 IHAB COc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2ccccc2OC)cc1Cl 9238585 CMCAZZGIYRUFJO-ZWKOTPCHSA-N 445.932 3.655 0 40 IHAB COc1cc2c(cc1OC)[C@H](C)N(C(=O)C1=NN(c3cc(C)ccc3C)C(=O)CC1)CC2 9410046 BKRUBLCHBNNRSY-KRWDZBQOSA-N 435.524 3.949 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=O)COc3ccccc3F)c2)cc1 9441766 QHEAELSQRZFIPE-UHFFFAOYSA-N 444.484 3.961 0 40 IHAB COc1ccc(CCNC(=O)[C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)cc1OC 9488047 JGCMIQVFRZRTDQ-FQEVSTJZSA-N 440.540 3.725 0 40 IHAB O=C(Cc1ccsc1)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 9549405 XEMHFSXFKVETOX-UHFFFAOYSA-N 444.534 3.891 0 40 IHAB Cc1ccc(NC(=O)CS[C@@H](C)C(=O)OCC(=O)N[C@@H]2CCCc3ccccc32)cc1 9634477 XEZQOWPPRGULDB-LAUBAEHRSA-N 440.565 3.792 0 40 IHAB CC[C@H](C)[C@@H](C(=O)OCc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 9665390 JBYQLYUPAYOHQD-PGRDOPGGSA-N 431.554 3.581 0 40 IHAB CC1(C)NC(=O)N(CCCC(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)C1=O 9666876 XGRNDFXHVGOJCE-UHFFFAOYSA-N 426.542 3.738 0 40 IHAB O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)Nc1cccc(N2CCCC2=O)c1 9833821 JOIXHGDCQLYBMM-UHFFFAOYSA-N 429.476 3.974 0 40 IHAB COc1ccccc1CNC(=O)c1ccc(CN(c2cccc(C)c2)S(C)(=O)=O)cc1 10367797 XBXACEPMEDOSCE-UHFFFAOYSA-N 438.549 3.900 0 40 IHAB CCOC(=O)c1ccc(C)c(NC(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)c1 10445207 LUBYHDKKFKQJKH-AWEZNQCLSA-N 438.933 3.618 0 40 IHAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)c(N2C(=O)CCS2(=O)=O)c1 12003568 LCZRLEYVTJRMTM-UHFFFAOYSA-N 432.807 3.678 0 40 IHAB C[C@H]1C[C@@H](C)CN(C(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)C1 12815683 YOUIJQJVYXDGSP-OKILXGFUSA-N 433.401 3.899 0 40 IHAB CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)c1csnn1)c1cccc(Cl)c1 12871013 WUMYKVIXDHNYJI-KRWDZBQOSA-N 429.933 3.889 0 40 IHAB COc1ccccc1[C@H](CNC(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C)N1CCCC1 12912082 ZAJHCWXZMGZGSI-QFIPXVFZSA-N 446.551 3.634 0 40 IHAB Cc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1 12920283 CVTXJFAMBJAPCM-UHFFFAOYSA-N 426.582 3.543 0 40 IHAB C[C@@]1(C(=O)N2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)CC1(Cl)Cl 12945710 UKGJVWKAVRBXDD-KRWDZBQOSA-N 429.735 3.618 0 40 IHAB CC1=CC=CN2C1=NC(=O)C[C@]2(C)C(=O)N(CC(=O)NC1CCCC1)c1cc(C)cc(C)c1 13083013 RZBQBTHQUUYYNF-AREMUKBSSA-N 448.567 3.558 0 40 IHAB CCCc1cc(OC(=O)c2cc(OC)c(OC)c(OC)c2)n(-c2nc3ccccc3[nH]2)n1 13611032 JIRBIKFERWOVDR-UHFFFAOYSA-N 436.468 3.946 0 40 IHAB COc1ccc(-c2c(C)nn3c4c(nnc23)C(=O)C[C@@H](c2ccccc2O)C4)cc1OC 13639336 LKTWPJAXIDDAIH-HNNXBMFYSA-N 430.464 3.735 0 40 IHAB CCS(=O)(=O)N(CC(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1)c1ccc2c(c1)OCO2 13669710 XXTAFMCWKOGMGZ-INIZCTEOSA-N 446.569 3.746 0 40 IHAB Cc1c(NC(=S)NC(=O)c2ccccc2F)cccc1-c1nn2c(C)nnc2s1 17094898 FJESUVDSGBTEGE-UHFFFAOYSA-N 426.502 3.736 0 40 IHAB COc1ccc(CC(=O)N2CCNC(=O)[C@H](Cc3cccc(-c4ccc(F)cc4)c3)C2)cc1 19554266 FFVJAEYFCJEGCL-HSZRJFAPSA-N 446.522 3.861 0 40 IHAB C=Cn1ncc(CN2CCC(C[C@H]3CC(c4ccc(F)cc4)=NO3)(C(=O)O)CC2)c1C 19554330 SHGDPYJKHFCNJK-HXUWFJFHSA-N 426.492 3.681 0 40 IHAB CNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCN(Cc2ccc(OC)c(OC)c2)C1 19591682 MCUYMKRHGNJKQC-HHHXNRCGSA-N 445.563 3.947 0 40 IHAB CCOC(=O)C1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@H]1c1cccc(Br)c1 19633177 RTXJYCMWLJYYGM-OAHLLOKOSA-N 441.281 3.548 0 40 IHAB COc1c(C)cccc1C(=O)N1CC[C@H](c2ccnc3c(Cn4ccnc4C)c(C)nn23)C1 19707568 XSUNIYMFFSFGHW-IBGZPJMESA-N 444.539 3.538 0 40 IHAB Cc1c(C)n(CCN2CCOCC2)c2ncn3nc(-c4ccc(C(C)(C)C)cc4)nc3c12 20588903 DGEZNUGCDZGDEB-UHFFFAOYSA-N 432.572 3.993 0 40 IHAB CCOc1ccccc1C(=O)NCC(=O)O[C@@H](C)C(=O)Nc1ccc([C@H](C)CC)cc1 21739239 SQUVCEMNHGETJM-SJORKVTESA-N 426.513 3.899 0 40 IHAB CCOc1cc(CNCCc2ccc(S(N)(=O)=O)cc2)ccc1OCc1cccs1 22076353 NDXCFZOKHGELDI-UHFFFAOYSA-N 446.594 3.706 0 40 IHAB CCOc1ccccc1NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N(CC)CC 22248742 WOTDCGOGXRLWRI-UHFFFAOYSA-N 440.949 3.787 0 40 IHAB CC(=O)c1ccc(NC(=O)CN2CCN(Cc3nc(-c4cccs4)cs3)CC2)cc1 22631141 TUOMFWICUDJFBW-UHFFFAOYSA-N 440.594 3.831 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3SC)CC2)cc1 23652455 DQGVQBKUXUDSKM-UHFFFAOYSA-N 434.583 3.847 0 40 IHAB COc1ccc(/C=C/C(=O)N2CCN([C@H](C)c3nc(-c4ccc(C)cc4)no3)CC2)cc1 24881247 LAXOOHJCLONUGC-BNOPAZPUSA-N 432.524 3.972 0 40 IHAB CCNC(=O)c1c(N[C@H](NC(=O)OCC)C(=O)c2ccccc2)sc2c1CCCC2 27017126 AXMNZUNSBZUWMT-LJQANCHMSA-N 429.542 3.744 0 40 IHAB CCN(CC)[C@H](CNC(=O)NCCc1ccc(OC)c(OC)c1)c1cccc(OC)c1 29321333 PMLXVULQEKPBER-OAQYLSRUSA-N 429.561 3.637 0 40 IHAB CCOc1ccc(N2C[C@@H](C(=O)Nc3ccnn3Cc3cccc(Cl)c3)CC2=O)cc1 32772420 BWJMJEGLDNWPAY-KRWDZBQOSA-N 438.915 3.975 0 40 IHAB CCc1cc2c(N3CCN([C@@H](C(=O)OC)c4ccc(Cl)cc4)CC3)ncnc2s1 32916262 VIKSYOPNHCBJKS-GOSISDBHSA-N 430.961 3.943 0 40 IHAB Cc1ccc(C(=O)NCCNC(=O)[C@@H]2CCCN(c3nc4ccccc4s3)C2)cc1F 32932296 PVUDUQCCCKJPQW-QGZVFWFLSA-N 440.544 3.506 0 40 IHAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3cn4ccsc4n3)c2)cc1 38734925 DIMXSETUUUDFSW-UHFFFAOYSA-N 426.523 3.565 0 40 IHAB Cc1cc(C(=O)COC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)c(C)n1CCc1ccccc1 40158989 YAOOZKUNLQYZKH-RDPSFJRHSA-N 440.565 3.528 0 40 IHAB CSc1cccc(NC(=O)Cn2c(=O)n(Cc3ccc(C)cc3)c(=O)c3ccccc32)c1 40478471 DZJQPHKPZRNUJZ-UHFFFAOYSA-N 445.544 3.881 0 40 IHAB CS(=O)(=O)c1nc(C(=O)Nc2ccccc2N2CCc3ccccc32)c2ccccn12 48310876 GVIOALHFKQUDES-UHFFFAOYSA-N 432.505 3.684 0 40 IHAB Cc1ccc2c(=O)c(C(=O)Nc3ccc(C)c(C)c3)cn(CC(=O)NC3CCCC3)c2n1 49002135 DDCOHFTYSARZCY-UHFFFAOYSA-N 432.524 3.633 0 40 IHAB CC(C)C[C@@H]1N[C@H](C(=O)N2CCOCC2)Cc2cn(Cc3ccccn3)c3cccc1c23 49171681 XYOJRRVZYUZQQL-GOTSBHOMSA-N 432.568 3.545 0 40 IHAB biogenic,in-vitro Cc1cccc(CN2CCc3nc(C)n(CC(=O)Nc4cc(C)ccc4C)c(=O)c3C2)c1 49400938 SZRKUSKYUDTSJM-UHFFFAOYSA-N 430.552 3.674 0 40 IHAB CNC(=O)CN(C(=O)/C=C/c1cc(Cl)c(OC(C)C)c(OC)c1)c1cccc(OC)c1 58052450 UFCFDGOFOKBEPU-MDZDMXLPSA-N 446.931 3.937 0 40 IHAB COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@@H]2CCCN2[C@]12C(=O)Nc1c(C)cccc12 61999540 QQTXTBPHXIPFDY-JCEJCQQGSA-N 425.916 3.927 0 40 IHAB biogenic CC[C@H](Sc1nnc2c(=O)n(-c3cccc(OC)c3)ccn12)C(=O)Nc1ccccc1C 64593720 VIXNPGLLJAWISR-IBGZPJMESA-N 449.536 3.707 0 40 IHAB CC[C@H](NC(=O)c1ccccc1)c1nc(-c2ccc(CCNS(C)(=O)=O)s2)cs1 72289889 YSLYXEKUCHOPDL-INIZCTEOSA-N 449.623 3.844 0 40 IHAB CN(C)c1ccc([C@H](CNC(=O)[C@@H](C2CC2)N2CCOCC2)c2c[nH]c3ccccc23)cc1 72300992 MDOHRWBLNHMQOL-JYFHCDHNSA-N 446.595 3.593 0 40 IHAB COc1ccc(Br)c(C(=O)O)c1NS(=O)(=O)/C=C/c1ccc(C)cc1 72301092 XQGTYOGYOHIWBB-MDZDMXLPSA-N 426.288 3.877 0 40 IHAB Cc1cc(Cc2cccc(Cl)c2)cc([C@H]2CCCN(C(=O)CN3CCCC3=O)C2)n1 72354055 ZQRADLWKAICHIE-FQEVSTJZSA-N 425.960 3.963 0 40 IHAB CC(=O)N1CCc2nc([C@H]3CCCN(C)C3)nc(NCC(C)(C)c3ccc(C)cc3)c2C1 72372278 MDWONGRXZFZPPV-FQEVSTJZSA-N 435.616 3.889 0 40 IHAB COc1cc(OC)c(NC(=O)Cn2ccn3nc(-c4cccs4)cc3c2=O)cc1Cl 90610035 KSOVYNNXAAIKDA-UHFFFAOYSA-N 444.900 3.534 0 40 IHAB Cc1nnc(SCC(=O)NCCc2c(C)[nH]c3ccc(OC(F)(F)F)cc23)s1 95482031 HHFPUTYAKWDAJE-UHFFFAOYSA-N 430.477 3.986 0 40 IHAB Cc1cc(-c2cc(=O)n(CC(=O)N[C@@]3(C)[C@H]4CC[C@@H](C4)C3(C)C)nc2-c2ccco2)on1 100724273 ZAXOZCSFEKMZCI-YWTKSJFSSA-N 436.512 3.798 0 40 IHAB COC(=O)Cn1/c(=N/C(=O)COc2ccc(Cl)cc2Cl)sc2ccccc21 100876291 VCCIZSZXTLANRP-UZYVYHOESA-N 425.293 3.689 0 40 IHAB CCc1ccc(OCC(=O)N2CCN(c3ccccc3OC)CC2)c(Br)c1 218859511 ANHQVGKIUMIOQY-UHFFFAOYSA-N 433.346 3.748 0 40 IHAB CCOC(=O)c1cccc(NC(=O)[C@H](CC)N(c2ccc(C)c(C)c2)S(C)(=O)=O)c1C 219122282 WLIBCXCCQWWKHE-NRFANRHFSA-N 446.569 3.972 0 40 IHAB CCCC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NC[C@H]1CCCO1 223198794 CHJDQMGHJLXICT-DHIUTWEWSA-N 426.532 3.861 0 40 IHAB Cc1ccc(OCCNC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)c(C)c1 223713218 FTYCQESUQFLTEA-UHFFFAOYSA-N 445.368 3.571 0 40 IHAB Cc1cccc(N(CCCC(=O)Nc2nnc(-c3ccccc3)s2)S(C)(=O)=O)c1 224992006 GXXNKGNYMVWPFV-UHFFFAOYSA-N 430.555 3.698 0 40 IHAB CC(C)NC(=O)c1nnc2n1C[C@@H]1N(Cc3ccsc3)CC[C@]1(c1ccccc1)CC2 306139475 SYFGYOLRUYMCCE-RDPSFJRHSA-N 435.597 3.637 0 40 IHAB CCOC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 408557685 HIQXMHBESWQSOB-UHFFFAOYSA-N 437.949 3.728 0 40 IHAB COC(=O)c1ccc(Cl)c(NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)c1 409273228 WGBOCQJNNBWDOX-UHFFFAOYSA-N 446.912 3.685 0 40 IHAB CCn1c(CNC(=O)c2ccc(C)cc2)nnc1SCC(=O)Nc1cc(F)ccc1C 409348237 SDWSEMPTDNZPOB-UHFFFAOYSA-N 441.532 3.715 0 40 IHAB CC(C)CC(=O)N[C@@H](C(=O)N1CCC2(CC1)C[C@H]2C(=O)N1CCCCC1)c1ccccc1 540034224 QZTCUICCBSIZEX-JTHBVZDNSA-N 439.600 3.531 0 40 IHAB CC1(C)[C@H](c2cc(F)c(F)c(F)c2)CCN1C(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1 1178534145 IOARKDXYBJTCRZ-NPMXOYFQSA-N 445.441 3.567 0 40 IHAB Cc1ccccc1C(=O)N1CCC2(CC1)[C@H](C(=O)N(C)C)c1ccccc1C(=O)N2C(C)C 1549168154 UFLSUHYJLMLDST-QHCPKHFHSA-N 447.579 3.706 0 40 IHAB Cc1cc(C(=O)N[C@@H](c2ccccc2F)[C@@H](C)O)nn1-c1ccc(Br)cc1 1639769021 QTRVMJFYMUEYCJ-BFUOFWGJSA-N 432.293 3.934 0 40 IHAB Cc1ccc(Cc2c(F)cccc2Cl)c(CC(=O)O[C@H](C)C(=O)O[C@H](C)C(=O)O)c1 2060993166 ZNRAPIZSWAGHEY-ZIAGYGMSSA-N 436.863 3.869 0 40 IHAB COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cc(Cl)ccc2OC)c(OC)c1 867208 DYFBPTONBAKRHR-LJQANCHMSA-N 431.876 3.632 0 40 IHAB C[C@H]1Cc2cc(-c3csc(NC(=O)Cc4cccs4)n3)ccc2N1S(C)(=O)=O 1366020 VHTWQMIWARETAV-LBPRGKRZSA-N 433.580 3.763 0 40 IHAB aggregator COc1cc([C@H](c2cc3c(cc2OC(C)=O)OCO3)[C@@H](C)C(C)=O)cc(OC)c1OC 1608018 SYRORLGKMVZNMN-AMXDTQDGSA-N 430.453 3.723 0 40 IHAB CCCC[C@H](NC(=O)COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1)C(=O)O 2093080 HRLSIGDRKSFEKK-NRFANRHFSA-N 437.492 3.831 0 40 IHAB biogenic COc1ccc(-c2nc3s/c(=C\c4ccc(Cl)cc4Cl)c(=O)n3n2)cc1OC 2336204 KHGZIMFSJORTHY-PXNMLYILSA-N 434.304 3.690 0 40 IHAB NC(=O)C1CCN(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CC1 2659236 BQODQMZSXURPJE-DHZHZOJOSA-N 434.927 3.930 0 40 IHAB NC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccs3)n2Cc2ccccc2)cc1 2664906 NEMKCDSBLBETES-UHFFFAOYSA-N 449.561 3.885 0 40 IHAB CCN(C(=O)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12)c1ccc(OC)cc1 3015519 HMJTYGXZRGOISQ-UHFFFAOYSA-N 447.535 3.898 0 40 IHAB CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 6088655 NAAXUAVLJVVTJO-FQEVSTJZSA-N 440.525 3.690 0 40 IHAB COc1ccccc1/C=[N+]1\NC(=O)[C@@H](NC(=O)c2cccc(C)c2)[C@@H]1c1ccc(Cl)cc1 8396295 MYVQODHDBOYLTR-WAUWHALJSA-O 448.930 3.673 0 40 IHAB CCCCCOc1ccc(NC(=O)[C@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]23)cc1 8660788 KOTQDXOXUNHJPR-CWVBCOCOSA-N 435.517 3.591 0 40 IHAB O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)Nc1ccc(C(=O)O)cc1 9139497 VULWOAVVERFQGE-UHFFFAOYSA-N 449.463 3.954 0 40 IHAB COc1ccccc1OCc1nnc(SCC(=O)Nc2ccc(Cl)cc2F)n1C 9263551 QIQJBSQIGJPMCI-UHFFFAOYSA-N 436.896 3.926 0 40 IHAB O=C(CSc1nnc2n1CCCCC2)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 9466390 LJLNVQBBIHKIQJ-QGZVFWFLSA-N 428.558 3.622 0 40 IHAB COc1ccc(-c2c(C)oc3cc(OCC(=O)N4CCSCC4)ccc3c2=O)cc1 9483689 JKWSAGHQFZFDHK-UHFFFAOYSA-N 425.506 3.731 0 40 IHAB biogenic CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 9548764 WPANZNCUODYMOY-GOTSBHOMSA-N 426.520 3.880 0 40 IHAB O=S(=O)(NCCc1csc2nc(-c3ccccc3F)nn12)c1cccc(Cl)c1 9569580 QXDHSIAYIWBMJC-UHFFFAOYSA-N 436.921 3.771 0 40 IHAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2ccccc2C(=O)NC2CC2)cc1 9592653 ODYSAIFJRJERNI-UHFFFAOYSA-N 438.487 3.839 0 40 IHAB O=C(Nc1nnc(Cc2ccccc2)s1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 9631919 NYPTVYSLBRQWAB-UHFFFAOYSA-N 442.566 3.556 0 40 IHAB CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2CCOC)cc1 9934041 SJZGBNGXUYVZAY-OAQYLSRUSA-N 439.512 3.596 0 40 IHAB Cc1cccc(NC(=O)C[C@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)c1C 12233168 XYAHWRQEQNDNLQ-KRWDZBQOSA-N 431.521 3.875 0 40 IHAB Cc1cccc(-n2ncc3c(=O)n(CC(=O)Nc4ccccc4C(F)(F)F)cnc32)c1C 12237791 KZXVZGMBPIKVCY-UHFFFAOYSA-N 441.413 3.857 0 40 IHAB COc1ccc(OC)c([C@H](C)NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)c1 12760195 GZQBJUXSTPQJNM-ZDUSSCGKSA-N 441.553 3.691 0 40 IHAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nnc(C3CCCCC3)s2)c1 12763245 JVRXPAZUKGPPGI-UHFFFAOYSA-N 428.967 3.742 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 12770451 QVBTUCIDOOMMAQ-QGZVFWFLSA-N 428.432 3.685 0 40 IHAB O=C(CSc1nc(-c2ccccc2)n[nH]1)Nc1ccccc1C(=O)NCc1ccco1 12779156 GVHAZLYBCRPHSB-UHFFFAOYSA-N 433.493 3.726 0 40 IHAB COc1ccccc1[C@H](CNC(=O)[C@H](NC(=O)c1ccccc1F)C(C)C)N1CCCC1 12791927 FTDLFNIQEUXUTD-JTHBVZDNSA-N 441.547 3.542 0 40 IHAB COC(=O)CNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1Cl 12874385 JRYVIQGRVYYCHF-UHFFFAOYSA-N 434.883 3.703 0 40 IHAB COc1ccc([C@H]2CCCN2C(=O)Cn2cnc3c(oc4ccccc43)c2=O)c(OC)c1 12929400 CELGWHRPLFMJLC-GOSISDBHSA-N 433.464 3.524 0 40 IHAB CN(CC(=O)NCCc1ccc(Cl)cc1Cl)CC(=O)Nc1ccccc1Cl 13062925 ASCICCMYCBGGRW-UHFFFAOYSA-N 428.747 3.876 0 40 IHAB CCc1ccc(-c2csc(NC(=O)[C@H](C)OC(=O)[C@H](C)NC(=O)c3ccco3)n2)cc1 13149168 XXUQZVSNXYMHFE-KBPBESRZSA-N 441.509 3.654 0 40 IHAB NC1=NC(SCC(=O)Nc2cccc(C(F)(F)F)c2)=N[C@@H](c2c[nH]c3ccccc23)N1 13579229 JKYNLLBGEKWRCM-KRWDZBQOSA-N 446.458 3.831 0 40 IHAB COc1cccc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c1 13584749 MCLCQOVNCVUVCQ-UHFFFAOYSA-N 426.494 3.538 0 40 IHAB CCn1c(CC(=O)Nc2ccc(C)c(C)c2)nnc1SCC(=O)Nc1ccccc1O 13858110 YJSBDGKMSOOGEY-UHFFFAOYSA-N 439.541 3.532 0 40 IHAB C[C@@H](OC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)c1ccc(F)c(F)c1 14022581 YVNHPXLRMAKGOO-GFCCVEGCSA-N 439.370 3.782 0 40 IHAB COC(=O)c1cccc(NC(=O)CSc2nc3c(c(C(F)(F)F)n2)CCCC3)c1 14137206 STHFDLRPLVGUFP-UHFFFAOYSA-N 425.432 3.892 0 40 IHAB Cc1cc(C)c(S(=O)(=O)N2CCN([C@@H](C)c3nnc(-c4ccccc4)o3)CC2)c(C)c1 15474616 GAENIZUYUYZXMA-IBGZPJMESA-N 440.569 3.729 0 40 IHAB COc1cc2c(cc1NC(=O)CCn1[nH]c(=O)c3ccccc3c1=O)oc1ccccc12 15601656 GLPBJSUWSLVQSM-UHFFFAOYSA-N 429.432 3.627 0 40 IHAB Cc1nc(-c2ccc(N(C)C)cc2)cc([C@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)C2CCC2)n1 15672636 SHJXJOVIRYAZFG-WWNPGLIZSA-N 433.600 3.612 0 40 IHAB biogenic,in-vitro COc1ccc(CNC(=O)C[C@@H]2CCNC[C@@H]2Cc2cc(COc3ccccc3)on2)cc1 15673580 RZLIPQLDLJAFLH-SFTDATJTSA-N 449.551 3.737 0 40 IHAB biogenic,in-vitro Cc1ccc(C)c(S(=O)(=O)NCCc2csc3nc(-c4ccccc4C)nn23)c1 15783920 HSTMDKKWEWCNJP-UHFFFAOYSA-N 426.567 3.904 0 40 IHAB C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c(Cl)c2)C1=O 15858445 HXLRUSQYCXLQLK-SNVBAGLBSA-N 446.834 3.924 0 40 IHAB CCOC(=O)c1ccc(N(Cc2ccncc2)C(=S)NC(=O)/C=C/c2ccco2)cc1 16687817 JWUQTBBCOJTKLP-MDZDMXLPSA-N 435.505 3.972 0 40 IHAB COc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCO)ccc1OCCC(C)C 16806442 HQWBTYQQQLHGFC-QFIPXVFZSA-N 437.492 3.764 0 40 IHAB CN(C)C(=O)[C@@H](OC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccccc1 17481084 CYOWUBFHMPPVCW-QHCPKHFHSA-N 426.476 3.921 0 40 IHAB Cc1cc(C)c(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccc3nsnc23)c(C)c1 19076919 KQCKTDGYLGSLNL-KRWDZBQOSA-N 444.582 3.798 0 40 IHAB COc1cccc(CC(=O)N2CCC[C@H]([C@@H]3C[C@H](C(F)(F)F)n4nc(C)cc4N3)C2)c1 19128065 ZRMMLAFSJOUMPV-YTQUADARSA-N 436.478 3.969 0 40 IHAB c1ccc(-c2cnc3c(c2)[C@@H](N2CCOCC2)n2nc(-c4ccncc4)nc2S3)cc1 19374045 OUJYETVXEHUZOZ-QFIPXVFZSA-N 428.521 3.746 0 40 IHAB CCN(Cc1ccncc1)Cc1c(C2CCN(C(=O)C3CCC3)CC2)[nH]c2nccnc12 19526655 ONSPXWMHBHUNLY-UHFFFAOYSA-N 432.572 3.881 0 40 IHAB CCOc1cccc(CNC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)c1 19934719 ILVWJHFGVLATNV-UHFFFAOYSA-N 438.549 3.982 0 40 IHAB COc1ccc([C@H](C)NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 20015411 ZTLIDFLZKWYXTJ-ZDUSSCGKSA-N 445.368 3.641 0 40 IHAB COc1ccccc1[C@H](C)NC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(C)(=O)=O 20015423 VMHWUULBYMQXLR-ZDUSSCGKSA-N 445.368 3.641 0 40 IHAB CCOc1ccccc1CNC(=O)[C@@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 20457091 XKBFGENNYJGIRM-CYBMUJFWSA-N 445.368 3.863 0 40 IHAB COc1ccccc1CNC(=O)c1ccc2c(O)nc3c(-c4ccc(C)cc4)nnn3c2c1 21867218 YHLWKNXGIXCRBD-UHFFFAOYSA-N 439.475 3.897 0 40 IHAB CC(=O)Nc1ccc(C)cc1-c1nnc(SCC(=O)Nc2cccc(Cl)c2)nc1O 21882685 YARQMPOQTXSJJL-UHFFFAOYSA-N 443.916 3.895 0 40 IHAB CCc1ccccc1O[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC 22527415 PKBVCWOHGCQSRB-KRWDZBQOSA-N 446.569 3.838 0 40 IHAB CCOc1cccc2cc([C@H](C)NS(=O)(=O)c3ccc(OC)c(NC(C)=O)c3)oc12 24990048 CWRAWTSHMSRZGC-ZDUSSCGKSA-N 432.498 3.838 0 40 IHAB Cc1ccc(NC(=O)c2ccc3c(c2)OCCCO3)cc1S(=O)(=O)N1CCCCC1 26640015 JOOWLDGEPCEBSO-UHFFFAOYSA-N 430.526 3.583 0 40 IHAB COc1ccc(OC)c([C@@H](C)NC(=O)CCc2c(C)c3ccc(OC)cc3oc2=O)c1 27134391 ULLVEWZQGURRGB-OAHLLOKOSA-N 425.481 3.937 0 40 IHAB CC(=O)Nc1cccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)c2ccccc2)c1 28206692 VYIXIWDDSQXRJX-UHFFFAOYSA-N 435.505 3.649 0 40 IHAB O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1 29708174 KFLXSDQQLKMHJY-UHFFFAOYSA-N 448.914 3.674 0 40 IHAB CCOc1cc(/C=C/C(=O)NCc2ccc(CN3CCOCC3)cc2)ccc1OC(F)F 29882615 MJLOXYZFJBVXPW-CSKARUKUSA-N 446.494 3.849 0 40 IHAB COc1ccc(S(=O)(=O)c2c(C(=O)N3CCCC3)cnc3ccc(Cl)cc23)cc1 33249366 JUCXMWMOCZQXJV-UHFFFAOYSA-N 430.913 3.966 0 40 IHAB CN1CCN(C(=O)c2nn3c(c2Cl)N[C@@H](c2ccccc2)C[C@H]3C(F)(F)F)CC1 38180764 HWTPIFMCSOYGEI-KGLIPLIRSA-N 427.858 3.584 0 40 IHAB O=C(NCC1(c2cccc(Br)c2)CCOCC1)c1cn(-c2ccccc2)nn1 40156039 DXDKAPUUKNKILI-UHFFFAOYSA-N 441.329 3.508 0 40 IHAB O=C(COc1coc(CN2CCCC2)cc1=O)Nc1ccc(Cl)c(C(F)(F)F)c1 49548100 DJNRFZLPVCZECU-UHFFFAOYSA-N 430.810 3.925 0 40 IHAB CCNC(=O)[C@@H]1CCCN(C(=O)/C=C/c2cn(Cc3ccccc3)nc2-c2ccccc2)C1 58138309 YLTUFFHWLGVHLQ-RFAWQRTRSA-N 442.563 3.986 0 40 IHAB CN(C(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1)c1ccccc1F 58159785 RVRUXKNOXILEJY-UHFFFAOYSA-N 434.514 3.754 0 40 IHAB CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@H](CO)c1ccccc1 80356992 DFNGYJFFBFOERS-ILBGXUMGSA-N 430.548 3.809 0 40 IHAB COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)C[C@@H]1CCOc2ccccc21 95398234 ZBVDFDBQCXLTSM-PXNSSMCTSA-N 439.508 3.649 0 40 IHAB CNC(=O)c1cc([C@H]2CC[C@H](CNS(=O)(=O)c3ccccc3)CC2)nc2ccccc12 100658002 IRWGGLOVIWIYLG-HDICACEKSA-N 437.565 3.847 0 40 IHAB Cc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@H]32)c(Cl)c1 101352880 CZKFXHKVOMZBCH-ROUUACIJSA-N 446.294 3.542 0 40 IHAB COc1ccc(C2=C[C@@H](c3c(C)nn(-c4ccccc4)c3Cl)n3nnnc3N2)cc1OC 101867320 GYSCDEYUAYFBOQ-KRWDZBQOSA-N 449.902 3.894 0 40 IHAB C[C@H](OC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 104211876 YESPYEMTMVMGDU-NWZZKEMCSA-N 432.536 3.551 0 40 IHAB Cc1cc(OCC(=O)Nc2ccccc2C(=O)N2CCOCC2)cc(C)c1Br 218837698 XZZFFGPODVQZCO-UHFFFAOYSA-N 447.329 3.556 0 40 IHAB CCOc1ccc(NC(=O)[C@@H](CC)N(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)cc1 220745922 DYOVYPHKUJXIAG-GOSISDBHSA-N 440.949 3.931 0 40 IHAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2C2CCCC2)N1CCCN1CCOCC1 223178452 VCGFUCVAIFGXML-DHIUTWEWSA-N 439.629 3.693 0 40 IHAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2ccccc2)N1CCCN1CCOCC1 223193292 XMFFNYBQTFQLSM-BJKOFHAPSA-N 447.608 3.567 0 40 IHAB COc1cc(C)c([C@@H](C)NC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)cc1C(C)C 223324220 WEMUMSDRJFCUHV-QGZVFWFLSA-N 447.601 3.861 0 40 IHAB CC(C)(C)c1ccccc1OCCNC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 223678545 ZYZYHTUQDLAFJZ-UHFFFAOYSA-N 438.977 3.599 0 40 IHAB CC[C@H](C(=O)NCCOc1ccc(C)c(C)c1)N(c1cccc(Cl)c1)S(C)(=O)=O 224302269 ARNVOMGBBUDPAO-HXUWFJFHSA-N 438.977 3.697 0 40 IHAB CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN1C(=O)c2cccc3cccc1c23 224649909 SPXKLIUWQRBBQU-SFHVURJKSA-N 429.520 3.744 0 40 IHAB CC(C)c1ccc(N(CCCC(=O)NCCOc2ccc(F)cc2)S(C)(=O)=O)cc1 224665804 LTUKKNRYAJJKGQ-UHFFFAOYSA-N 436.549 3.691 0 40 IHAB CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1cc(C)ccc1C 225489741 YIVATTOSEYNFBG-INIZCTEOSA-N 433.346 3.608 0 40 IHAB O=C(COc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1)N1CCOCC1 225515436 PAWCODBBZFJLEL-UHFFFAOYSA-N 426.488 3.514 0 40 IHAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)n1C 225587735 YYFSGIPSANKTGN-FCHUYYIVSA-N 437.544 3.869 0 40 IHAB CCNC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCCN(C(=O)C2[C@@H]3CCCC[C@@H]23)C1 248242328 HPHPOBVJVGHUAR-NOTUOJBMSA-N 446.595 3.867 0 40 IHAB C=CCOc1ccc(C=c2sc3nc(-c4cccc(Cl)c4)nn3c2=O)cc1OC 254701040 GTNBBNBPKLYAEA-UHFFFAOYSA-N 425.897 3.593 0 40 IHAB Cc1cc(C(=O)N(C)C)nc([C@]2(C)CCCN(Cc3cccc(Oc4ncccn4)c3)C2)n1 257214793 CNLMKMINRQEUBX-RUZDIDTESA-N 446.555 3.623 0 40 IHAB Cc1nc2cc([C@@H]3CCN(Cc4cccnc4)C3)nn2c(C)c1CCC(=O)NC(C)(C)C 257234345 GTCKRTKWWUGWHD-HXUWFJFHSA-N 434.588 3.578 0 40 IHAB O=S(=O)(Cc1ccccc1Cl)N1CCC(c2cccc(Nc3ncccn3)n2)CC1 257258296 KTFSGZZSCYCNRR-UHFFFAOYSA-N 443.960 3.978 0 40 IHAB CCOc1ccccc1N(CC(=O)N[C@H](C)c1ccc2c(c1)CCCC2)S(C)(=O)=O 260840476 VKAQROSKQHWAKN-QGZVFWFLSA-N 430.570 3.608 0 40 IHAB Cc1ccc(CSCCNC(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 408547725 MAEZQPWFMGIHQD-IBGZPJMESA-N 434.627 3.816 0 40 IHAB COC(=O)c1c(NS(=O)(=O)c2cc(Cl)ccc2Cl)sc2c1CCN(C)C2 408613271 WBSAXZUVZHNRPM-UHFFFAOYSA-N 435.354 3.630 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 408695508 VREWDLKRKFLKCT-UHFFFAOYSA-N 438.933 3.702 0 40 IHAB Cc1ccccc1N(CC(=O)NCCSCc1ccco1)S(=O)(=O)c1ccccc1 408921142 SWEYIAMIAQHBFZ-UHFFFAOYSA-N 444.578 3.833 0 40 IHAB CCCCNC(=O)CSc1nc2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2s1 408992103 ZOVLBYFTFOXIIH-BIPCEHGGSA-N 441.578 3.616 0 40 IHAB COCCN1C(=O)S/C(=C/c2cc(Br)cc(Br)c2O)C1=O 409147344 VXJOVJCILNROSC-BJMVGYQFSA-N 437.109 3.600 0 40 IHAB CCCN1C(=O)N/C(=C/c2cc(Br)c(OCC)c(Br)c2)C1=O 409228036 SSODPVVQZRBEDC-XYOKQWHBSA-N 432.112 3.913 0 40 IHAB Cc1oc(-c2ccsc2)nc1CC(=O)N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 500547279 DAPJKPQQSGINDP-CYBMUJFWSA-N 433.892 3.968 0 40 IHAB O=C(NC1CCN(C(=O)c2ccc3c(c2)nc(O)n3C2CCCC2)CC1)c1ccsc1 511889530 VBNQXFOIYOOGFY-UHFFFAOYSA-N 438.553 3.953 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CC[C@@H](N4CCCC4)[C@@H]3C)c2)cc1F 561754519 QFQMHPYRJWDWDY-HTAPYJJXSA-N 445.560 3.634 0 40 IHAB CC(C)(C)CN[C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(-c2cccc(C(F)(F)F)c2)n1 604382049 AZIWMBCRDLDMDT-UAFMIMERSA-N 437.506 3.699 0 40 IHAB biogenic,in-vitro Cc1ccc(C(=O)N2CCC[C@H](C(=O)NCc3ccc(N4CCC(C)CC4)nc3)C2)cc1 642785491 IRTHMFLVGPPAMQ-QHCPKHFHSA-N 434.584 3.795 0 40 IHAB CC(C)NC(=O)N1C[C@@H]2CC[C@H](CNC(=O)[C@H]3CC[C@H](C)CC3)N2Cc2ccccc21 1565556399 GRCWHFOHAIHMDM-CZAYHTPWSA-N 426.605 3.900 0 40 IHAB COc1ccc([C@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3ncnn32)c(OC)c1 646431 IJEUSOPOBLEBSW-IBGZPJMESA-N 425.876 3.876 0 40 IHAB CCCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2ccc(=O)oc2c1 2149754 CUOGZIDNRDHEQK-IBGZPJMESA-N 429.494 3.544 0 40 IHAB biogenic O=C(NCCCc1ccccc1)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12 3015378 LCNNKECLYDULQL-UHFFFAOYSA-N 431.536 3.586 0 40 IHAB O=C(Cc1ccccc1)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccc(F)cc1 3654241 FTGFGGGBMQEJNN-UHFFFAOYSA-N 443.477 3.958 0 40 IHAB CCCCn1c(-c2ccc(OCCC)c(OCC)c2)nc2c1c(=O)[nH]c(=O)n2CCC 6567021 RRUFUDASNZITKH-UHFFFAOYSA-N 428.533 3.951 0 40 IHAB COc1ccc(Br)cc1CN(C)C(=O)CCNC(=O)c1ccccc1Cl 8728046 QIBZWQOSWKCGKI-UHFFFAOYSA-N 439.737 3.890 0 40 IHAB COC(=O)c1sccc1-n1cccc1C(=O)C(=O)Nc1ccc(Br)cc1 8762393 SVCGSBUODPUKCC-UHFFFAOYSA-N 433.283 3.909 0 40 IHAB CCn1c(CN2CCc3sccc3[C@H]2C2CC2)nc2cc(S(=O)(=O)N(C)C)ccc21 8778579 VCWKZZRGDRDZIS-JOCHJYFZSA-N 444.626 3.877 0 40 IHAB COc1ccccc1N1CCN(C(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)CC1 9056224 ZPXSILJVBHTBAM-UHFFFAOYSA-N 439.519 3.905 0 40 IHAB Cc1ccccc1NC(=O)Cc1nnc(SCC(=O)c2cn(C)c3ccccc23)n1C 9095952 RJIKIAOYCNQCQP-UHFFFAOYSA-N 433.537 3.771 0 40 IHAB Cc1nnc2n1N[C@@H](c1ccccc1)[C@@H](C(=O)Nc1ccc(Br)cc1)S2 9237932 WLHYYHLVAWEZPE-HOTGVXAUSA-N 430.331 3.747 0 40 IHAB COc1ccc(NC(=O)[C@H]2Sc3nnc(C)n3N[C@H]2c2ccc(OC)c(Cl)c2)cc1 9238636 BKCSINXPPDCJJA-ROUUACIJSA-N 445.932 3.655 0 40 IHAB Cc1ccc(N2C(=O)N(CC(=O)N3N=C(c4ccco4)C[C@H]3c3ccco3)C(=O)[C@H]2C)cc1 9349523 VIKGNFMVZQJDLN-APWZRJJASA-N 446.463 3.716 0 40 IHAB Cc1cc(NC(=O)CSc2nnc(NC(=O)c3ccc(OC(C)C)cc3)s2)no1 9391102 DUVNBGFQOKVXAF-UHFFFAOYSA-N 433.515 3.605 0 40 IHAB CCC(=O)N(c1nnc(SCC(=O)N(C)Cc2nc3ccccc3s2)s1)C1CC1 9461371 TWTCZMGCJQNPMA-UHFFFAOYSA-N 447.611 3.804 0 40 IHAB O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)N1CCc2ccccc21 9492102 RPDRHCAUZULWOV-IBGZPJMESA-N 438.528 3.945 0 40 IHAB Cc1cccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(Cc3cccc(Cl)c3)c(=O)n2C)c1 9518988 LXVBKKILMGECGM-MRXNPFEDSA-N 449.942 3.695 0 40 IHAB O=C([C@H]1CCCN(S(=O)(=O)c2cccs2)C1)N1CCC(Cc2ccccc2)CC1 9615899 RIRWHNJBEHTQRP-FQEVSTJZSA-N 432.611 3.630 0 40 IHAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)Nc2ccc3ccccc3c2)c1 9663894 LGWCTCBBDHIJSV-UHFFFAOYSA-N 446.912 3.539 0 40 IHAB O=C(CSc1ccc2c(c1)OCCCO2)Nc1ccc(S(=O)(=O)C(F)F)cc1 9747958 WBEAOVYDWBNPON-UHFFFAOYSA-N 429.466 3.575 0 40 IHAB C[C@H](Sc1ncnc2sccc12)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 9780483 GHODNGGKLMFQPM-ZDUSSCGKSA-N 448.595 3.595 0 40 IHAB O=C(NCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 10446442 GPKQNANLOFRIIM-UHFFFAOYSA-N 434.323 3.601 0 40 IHAB CC(=O)N(c1nc([C@@H]2NC(N)=Nc3nc4ccccc4n32)cs1)c1cccc(C)c1C 11035577 GPPJRTQLQUITBF-LJQANCHMSA-N 431.525 3.891 0 40 IHAB COc1ccc(S(=O)(=O)NCCc2csc(-c3ccc(OC)c(OC)c3)n2)cc1C 11758727 LLQVOTKHHJXEGM-UHFFFAOYSA-N 448.566 3.665 0 40 IHAB O=C1N[C@@H](c2ccc(Br)cc2)[C@H](C(=O)c2ccccc2)[C@](O)(C(F)(F)F)N1 11859127 DNRBHMCGLHWPTR-KEYYUXOJSA-N 443.219 3.553 0 40 IHAB CCOc1ccc(NC(=O)Cn2nc(C(C)C)c3cnn(-c4ccccc4)c3c2=O)cc1 12228894 RRIVJQNKGRDEIZ-UHFFFAOYSA-N 431.496 3.743 0 40 IHAB Cc1nc(COc2ccc(C(=O)N3CCc4c(sc5ncnc(N)c45)C3)cc2)cs1 12556128 XUNYURLSPCWOSG-UHFFFAOYSA-N 437.550 3.816 0 40 IHAB COc1ccccc1-c1nnc(SCC(=O)N2C[C@H](C)O[C@H](C)C2)n1-c1ccccc1 12586490 IGNYINFSYXSBFR-CALCHBBNSA-N 438.553 3.671 0 40 IHAB COc1ccc2c(c1)cc(C(=O)N[C@H](C(=O)NCCc1c[nH]c3ccccc13)C(C)C)n2C 12664566 VWJWZGCPKPVYRD-DEOSSOPVSA-N 446.551 3.782 0 40 IHAB biogenic COc1ccc(-c2csc(NC(=O)CCNC(=O)c3ccc(F)cc3F)n2)c(OC)c1 12755155 IBHAMQWNWUDKMW-UHFFFAOYSA-N 447.463 3.864 0 40 IHAB CNS(=O)(=O)c1ccc(C)c(C(=O)Nc2nnc(-c3ccc(C(C)C)cc3)s2)c1 12794552 WWQATGHSPOPCHY-UHFFFAOYSA-N 430.555 3.797 0 40 IHAB COc1cc(C(=O)Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)ccc1OC(F)F 12887681 AXLHMVZGTVXUFX-RYUDHWBXSA-N 427.473 3.615 0 40 IHAB Cc1ccc(Cl)cc1N(CC(=O)NCCSc1ccc(Cl)cc1)S(C)(=O)=O 13425214 VLHHCYBPUCHVGI-UHFFFAOYSA-N 447.409 3.976 0 40 IHAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1nnc(S(=O)(=O)Cc2ccccc2C)s1 13571579 PPHBSGRLTVADDI-MRXNPFEDSA-N 449.529 3.756 0 40 IHAB CC[C@@H](C(=O)Nc1ccc(Br)cc1F)N(c1ccccc1)S(C)(=O)=O 13711590 JRCUAEKGVIRVIX-INIZCTEOSA-N 429.311 3.772 0 40 IHAB CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2[C@@H]2CCCN21 16009820 DLPSMEZCJNAFFT-PBQROFAYSA-N 449.938 3.642 0 40 IHAB O=C(CCC(=O)c1cccs1)NCCC(=O)OCC(=O)c1ccc2c(c1)CCCC2 16049958 BGJKFVPIDKHARO-UHFFFAOYSA-N 427.522 3.522 0 40 IHAB O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)Nc1ccc(OCc2ccccc2)cc1 16684589 KWXDMOZBJXATJY-UHFFFAOYSA-N 428.444 3.903 0 40 IHAB CC(C)c1nc(N2CCC(NC(=O)C[C@@H](C)n3cccn3)CC2)ncc1-c1ccncc1 19451599 XWSUBVIJXWRUPE-GOSISDBHSA-N 433.560 3.595 0 40 IHAB Cc1occc1-c1nc(N2CCN(C(=O)c3cccs3)CC2)ncc1-c1cnccn1 19583046 LABUNQVAQCSPNG-UHFFFAOYSA-N 432.509 3.526 0 40 IHAB Cc1nccn1CCC(=O)N1CCC[C@H](c2nc(N(C)C)ncc2-c2cccc(F)c2)C1 19687529 AVQIPDBRANAXST-IBGZPJMESA-N 436.535 3.650 0 40 IHAB CC(C)NC(=O)c1cc([C@@H]2CN(C(=O)Cc3ccc(F)cc3)CCO2)nc2ccccc12 19759529 KIKUKMPFYHTFDK-QHCPKHFHSA-N 435.499 3.655 0 40 IHAB COc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2C)C1 19857950 OKFFZNRPMBDIBT-INIZCTEOSA-N 436.961 3.838 0 40 IHAB COc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3N2C(=O)c2ccc(OC)cc2)cc1 19898784 QZJUZLSKTKHNNM-JOCHJYFZSA-N 445.475 3.700 0 40 IHAB CCOc1ccc(-c2cc(C(=O)N(Cc3ccccc3)[C@@H]3CCS(=O)(=O)C3)no2)cc1 21786679 FSGNOYBSCFHEEL-LJQANCHMSA-N 440.521 3.570 0 40 IHAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 22751436 SKKBPTGDORZDMR-OAQYLSRUSA-N 434.540 3.673 0 40 IHAB C[C@H](C(=O)N[C@@H]1CCCc2ccccc21)N1CCN(Cc2nc3ccccc3s2)CC1 22932466 GTMZZRPPEPMQGW-WIYYLYMNSA-N 434.609 3.996 0 40 IHAB O=C(Nc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1)c1cccs1 23908365 OPUBPSDNILYODD-UHFFFAOYSA-N 449.532 3.687 0 40 IHAB Cc1cc(Br)ccc1NC(=O)CNC(=O)Cc1csc(-c2ccco2)n1 24823811 VKYJMETXRFRLMA-UHFFFAOYSA-N 434.315 3.771 0 40 IHAB Cc1c(C(=O)O)sc2[nH]c(=O)cc(CSc3nnc(N4CCCCC4)n3C3CC3)c12 25048914 QQPWLDMAIYVQSE-UHFFFAOYSA-N 445.570 3.805 0 40 IHAB C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 25151728 FEIYFBKXMDGQTQ-KRWDZBQOSA-N 440.515 3.539 0 40 IHAB C[C@@H](OC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2)c1nnc(-c2ccccc2)o1 26054826 WPKMTYHQQFTNOD-LJQCHSNASA-N 438.528 3.999 0 40 IHAB O=C(NC[C@H](c1cccs1)c1c[nH]c2ccccc12)N1CCN(c2cnccn2)CC1 26148868 WZVRWYNLOJVMQR-IBGZPJMESA-N 432.553 3.683 0 40 IHAB COc1cccc([C@@H](CNC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)N2CCCC2)c1 27340456 JMOAXVCMFYAHIU-ZJSXRUAMSA-N 435.568 3.618 0 40 IHAB COc1ccccc1N1CCN(C(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)CC1 28220880 ACAWBIGBTJBGQL-FQEVSTJZSA-N 427.976 3.909 0 40 IHAB C[C@@H]1CCc2cc(-c3nnc(SCC(=O)Nc4sccc4C(N)=O)o3)sc2C1 28616815 ZQEJMAVTQDFODE-SECBINFHSA-N 434.568 3.814 0 40 IHAB CCOc1cc(/C=C/C(=O)NCc2ccc(CN3CCOCC3)cc2)cc(Cl)c1OC 29716194 JQWWHBXXNYHNIL-CMDGGOBGSA-N 444.959 3.909 0 40 IHAB CN(CCCC(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1)S(=O)(=O)c1cccs1 31126928 IFGLFZWCSIOOFN-MRXNPFEDSA-N 447.582 3.696 0 40 IHAB COc1cccc(C2=NN(C(=O)COc3ccc(Cl)c(C)c3)[C@@](O)(C(F)(F)F)C2)c1 32101348 RVHPJBCKWYAQOU-IBGZPJMESA-N 442.821 3.923 0 40 IHAB Cc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)C[C@@H](NC(N)=O)c2cccc(C)c2)cc1 32456712 HKNYFMBVQXBIGC-NHCUHLMSSA-N 425.529 3.602 0 40 IHAB CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCCCOc1ccc(F)cc1 32910737 UKZFPFYXKXPSQE-IBGZPJMESA-N 443.924 3.794 0 40 IHAB CC(C)NC(=O)CN1CCC(NC(=O)c2csc(-c3ccc(C(C)C)cc3)n2)CC1 32934750 IHSIGYOLQITNMT-UHFFFAOYSA-N 428.602 3.652 0 40 IHAB O=C(NCCSCc1ccco1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 32999768 JMVZDIIMXIVBLM-UHFFFAOYSA-N 442.990 3.771 0 40 IHAB Cc1ccc(NC(=O)[C@H](C)Oc2ccccc2)cc1OCc1cc(=O)n2ccccc2n1 33268553 PWPNVGDFIFARDQ-SFHVURJKSA-N 429.476 3.988 0 40 IHAB CCn1ncc(-c2noc3nc(C4CC4)cc(C(=O)N[C@@H](C)Cn4ccc(C)n4)c23)c1C 36619409 BYVNTQCWVVNWNO-AWEZNQCLSA-N 433.516 3.615 0 40 IHAB CCCn1c(=O)[nH]c(=O)c2c(C(=O)OCc3nc4ccccc4s3)cc(C(C)C)nc21 40072548 GDKPFVIYKVOXQH-UHFFFAOYSA-N 438.509 3.585 0 40 IHAB CCCCN1C(=O)c2ccc(C(=O)Nc3ccc(OCc4nccn4C)cc3)cc2C1=O 40134904 JYWDOGJAYUMBRD-UHFFFAOYSA-N 432.480 3.648 0 40 IHAB C[C@@H](Oc1ccc(C(=O)NCCN2CCN(c3ccccc3)CC2)cn1)c1ccccc1 40153949 SUGUZSPWCONUQF-OAQYLSRUSA-N 430.552 3.774 0 40 IHAB COc1ccc(Nc2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccc(C(C)C)cc2)CC(=O)N3)cc1 40399869 QDUGNUWENSZEBU-SFHVURJKSA-N 447.495 3.710 0 40 IHAB O=C(NCc1ccncc1)[C@H]1CCCN(c2nc3c(-c4ccccc4)csc3c(=O)[nH]2)C1 49421210 ZCWBQRXUQZNNPN-SFHVURJKSA-N 445.548 3.579 0 40 IHAB O=C(C1CCN(Cc2nc3scc(-c4ccco4)c3c(=O)[nH]2)CC1)N1CCCCCC1 57331778 GYFZTGJCKGCHAW-UHFFFAOYSA-N 440.569 3.859 0 40 IHAB Cc1cccc(N(C)C(=O)Cn2c(=O)n(-c3cc(C)ccc3C)c(=O)c3sccc32)c1 57492711 FFYWYONUYIDVKK-UHFFFAOYSA-N 433.533 3.802 0 40 IHAB O=C(CN1CCC(c2nc(-c3ccccn3)no2)CC1)Nc1ccccc1Br 58244226 DUVCENYNQBRMKC-UHFFFAOYSA-N 442.317 3.712 0 40 IHAB CN1CCC(N(C)C[C@H](NC(=O)Cc2ccc(Br)cc2)c2ccccc2)CC1 58440049 SSZWURJPJXWKJU-QFIPXVFZSA-N 444.417 3.875 0 40 IHAB Cn1cc([C@H]2C[C@@H]2C(=O)Nc2cc(C(F)(F)F)ccc2I)cn1 60322913 JYEBETUHGDTHQT-MNOVXSKESA-N 435.187 3.786 0 40 IHAB O=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccc(F)cc2)cc1)c1ccccc1 67896562 JSHWXNLQCWXYLH-ISKFKSNPSA-N 434.467 3.539 0 40 IHAB biogenic,in-vitro Cc1ccccc1OCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 71989145 ZCOZMJBBLXVHIX-UHFFFAOYSA-N 436.961 3.632 0 40 IHAB C[C@]12CC[C@H](C[C@@H]1C(=O)N1CC[C@H](O)[C@H]3CCCC[C@@H]31)[C@]1(C2)NC(=O)c2ccccc2N1 72326494 YQJQGTKZTQTWNK-UHARQNSMSA-N 437.584 3.517 0 40 IHAB CCCN1CCN(C(=O)c2cc(C(C)C)n[nH]2)[C@@H](Cc2cccc(-c3cccnc3)c2)C1=O 72351750 SGPOWUIJZBMRIU-DEOSSOPVSA-N 445.567 3.901 0 40 IHAB Cc1n[nH]cc1C(=O)N1CC[C@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)[nH]n2)C1 72371443 NBHZXWKDUSXREW-AWEZNQCLSA-N 433.434 3.711 0 40 IHAB Cc1cc(Nc2cnccn2)cc([C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3C)C2)n1 72375008 YGRDACHDDSOGFF-QGZVFWFLSA-N 441.532 3.939 0 40 IHAB COc1cc(C(=O)Nc2ccc3c(c2)C(=O)N(C)c2cccnc2O3)cc2c1OCCCO2 95479006 YRGLOCQVSMKWEL-UHFFFAOYSA-N 447.447 3.886 0 40 IHAB O=C(c1cccs1)N1CCc2ccc(NS(=O)(=O)CCOc3ccccc3)cc2C1 96025703 WECHIYSKUGMGCH-UHFFFAOYSA-N 442.562 3.767 0 40 IHAB COc1cc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3[C@@H]2CCOC(C)(C)C2)cc2c1OCCO2 96116692 HQCVEUCMFQVRRG-KUHUBIRLSA-N 445.541 3.972 0 40 IHAB COc1ccc([C@H]2Cn3cnc(-c4nc(-c5ccc(OC)cc5OC)no4)c3CO2)cc1 97077075 UQXOOFXGVBGBQM-HXUWFJFHSA-N 434.452 3.897 0 40 IHAB Cc1cc(Cl)cc2s/c(=N/C(=O)CCS(=O)(=O)c3ccc(F)cc3)n(C)c12 101037225 JHIZLBLTNOJQED-DYTRJAOYSA-N 426.922 3.632 0 40 IHAB COC(=O)c1ccc(N2C(=O)[C@H]3ON(c4ccccc4C)[C@@H](c4cccs4)[C@@H]3C2=O)cc1 102914508 JYKHCZXIQIKLBM-ACRUOGEOSA-N 448.500 3.894 0 40 IHAB CC(=O)N[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@@H](NC(C)=O)[C@@H]4OC(C)=O)[C@@H]3CC[C@@H]2C1 118920861 XPIBCNBRWGFJER-KOHMZIDMSA-N 432.605 3.580 0 40 IHAB O=C(Cn1cnc2ccccc21)N1CCC(N2CCC(Oc3ccccc3F)CC2)CC1 217384496 RBHUAFIGZZUROI-UHFFFAOYSA-N 436.531 3.710 0 40 IHAB Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)NCc1nc(-c2cccs2)no1 222579029 IJOBMGIRCZXHEA-ATVHPVEESA-N 434.477 3.787 0 40 IHAB CC[C@@H](NS(=O)(=O)c1nnc(NC(=O)c2ccccc2C)s1)c1ccc(C)cc1 222801824 HSHLPKGPGVDUCD-QGZVFWFLSA-N 430.555 3.837 0 40 IHAB CCOC(=O)Nc1ccc(S(=O)(=O)N2CCc3cc(Br)ccc32)cc1 222997949 GBBZBISMIJVVKK-UHFFFAOYSA-N 425.304 3.769 0 40 IHAB CC[C@@H](NC(=O)[C@@H]1CN(S(=O)(=O)CC)c2ccccc2O1)c1ccc2c(c1)CCCC2 223080407 ZQRWEPUVHZXMSK-OFNKIYASSA-N 442.581 3.750 0 40 IHAB CCc1ccccc1NC(=O)c1cnc(CN(C)S(=O)(=O)c2ccc(Cl)cc2)nc1 223388375 HCIXRGNOAFTQSI-UHFFFAOYSA-N 444.944 3.765 0 40 IHAB CN(c1ccccc1C(=O)NCCOc1ccccc1Cl)S(=O)(=O)c1ccccc1 223863694 YAJNLNXLBPQBBP-UHFFFAOYSA-N 444.940 3.974 0 40 IHAB CSc1nnc(NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)s1 225086592 CQZFHTFEEXPDOV-UHFFFAOYSA-N 427.393 3.873 0 40 IHAB COc1ccc(CCC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NCC(C)C)cc1OC 225690268 SWYKBPVGUYMKDH-SFHVURJKSA-N 444.547 3.965 0 40 IHAB O=C(c1ccnc(O[C@@H]2CCSC2)c1)N1CCN(c2nsc3ccccc23)CC1 225724455 VNBXVZJDYWRDSY-MRXNPFEDSA-N 426.567 3.538 0 40 IHAB CSc1ccc(S(=O)(=O)NCCCN(C)c2ccccc2)cc1NC(=O)C(C)C 225783726 SFSGMCVURUKDAR-UHFFFAOYSA-N 435.615 3.808 0 40 IHAB COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)c1 225877974 UVTGGIQMNQNCPZ-QGZVFWFLSA-N 446.569 3.511 0 40 IHAB CCN(CC(=O)N(C)Cc1ccc(OC)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 226054692 LTQFJGFYQYPLBJ-UHFFFAOYSA-N 445.368 3.671 0 40 IHAB Cc1ncnc(C)c1C(=O)N1CCC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 252489778 KAECCNQSXBVGEJ-UHFFFAOYSA-N 447.505 3.539 0 40 IHAB CNc1cc([C@H]2CCCN2C(=O)C2(Cc3cccc(F)c3)CCN(C(C)=O)CC2)ccn1 257273390 NGJCUJLZEJOSON-JOCHJYFZSA-N 438.547 3.797 0 40 IHAB CCCN1CCN(C(=O)c2cnn(C)c2C)[C@H](Cc2ccccc2-c2ccc(F)cc2)C1=O 257304606 SMJFWQUUQMJQQV-XMMPIXPASA-N 448.542 3.840 0 40 IHAB COc1ccc2c(c1)CCC[C@H]2NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 260899255 KOPPICGJIBHMQF-WMZHIEFXSA-N 442.581 3.598 0 40 IHAB CCCCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OCC)cc2)cc1Cl 408625375 SHZLEVHRXIRLCT-UHFFFAOYSA-N 440.949 3.835 0 40 IHAB CC(C)[C@@H](C(=O)O)N1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408655610 LDKRLNJEUICCCF-BZOBZEAMSA-N 444.314 3.689 0 40 IHAB Cc1ccc(C)c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)c2)c1 408659029 LSCKIIQHLMXBKA-WOJBJXKFSA-N 434.492 3.779 0 40 IHAB CCOC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Cl)cc2)cc1 408667931 SFJSZSZFJWNRBN-UHFFFAOYSA-N 446.887 3.807 0 40 IHAB CCOC(=O)c1ccc(NC(=O)c2ccc(N3C(=O)[C@H]4CC=C(C)C[C@H]4C3=O)cc2)cc1 408682240 KNPDOJLNZNTMRZ-LEWJYISDSA-N 432.476 3.961 0 40 IHAB CCOc1ccc(CNC(=O)C(=O)Nc2ccccc2C(=O)NCc2ccccc2C)cc1 408709602 UWLRORYEOFUYCQ-UHFFFAOYSA-N 445.519 3.579 0 40 IHAB Cc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(Cl)cc3)[C@@H]2c2ccc(C)cc2)cc1 409055817 FFUKPRHISPWVGE-LMOLPZMTSA-O 432.931 3.973 0 40 IHAB COc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3cccc(C)c3)[C@@H]2c2ccc(Cl)cc2)cc1 409059520 QEQAYLKJYNJCPV-WSBKAMHLSA-O 448.930 3.673 0 40 IHAB Cc1ccsc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(N3CCOCC3)cc2)C1=O 409141848 BZNREOGRGQEZLH-LDADJPATSA-N 443.550 3.568 0 40 IHAB C[C@H](NC(=O)c1ccc(Cl)cc1)c1nnc(SCC(=O)Nc2ccccc2)n1C 409351463 UTZHFMKZGMNGER-ZDUSSCGKSA-N 429.933 3.690 0 40 IHAB Cc1coc2cc3oc(=O)c(CC(=O)N4C[C@@H]5C[C@H](C4)CN4C(=O)CCC[C@@H]54)c(C)c3cc12 524730931 CRWBKSFEXIYZNQ-WWMYMODYSA-N 448.519 3.558 0 40 IHAB biogenic CC(=O)N1CCC(CC(=O)Nc2nc3ccccc3s2)(N2Cc3ccccc3C2=O)CC1 1565524467 ILPDHUXQSKGAJJ-UHFFFAOYSA-N 448.548 3.662 0 40 IHAB Cc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccco4)CC(=O)N32)cc1 2105267 XFTQWUTXPFMYDX-WIOPSUGQSA-N 425.488 3.954 0 40 IHAB biogenic CCOC(=O)c1ccc(NC(=O)CCCc2nc(-c3ccc(OC)c(OC)c3)no2)cc1 2223181 BBQZDGCBMHQBPP-UHFFFAOYSA-N 439.468 3.892 0 40 IHAB COc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccncc2)cc1OC 2441682 SHTCLFDWYWFLCD-QFIPXVFZSA-N 428.444 3.951 0 40 IHAB COc1ccccc1-n1c(SCC(=O)Nc2ccc(C)cc2)nc2c(c1=O)SCC2 2719816 COMXETCEVQWWSS-UHFFFAOYSA-N 439.562 3.929 0 40 IHAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1 3319134 VDQXQPFONPAYRD-GOSISDBHSA-N 444.487 3.730 0 40 IHAB Cc1cc(C)n(-c2ccc(C(=O)OCc3nc(N)nc(Nc4ccccc4C)n3)cc2)n1 3350299 XEKSBNSRUVIDAL-UHFFFAOYSA-N 429.484 3.665 0 40 IHAB COc1ccc(OC)c([C@H]2NC(=O)NC(C)=C2C(=O)OCCSc2ccccc2)c1 4017090 XRHSGTDPQYFKBO-HXUWFJFHSA-N 428.510 3.667 0 40 IHAB CCc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)NCCc3ccccc3)cc2c1 6197722 OXMRLGUCSXTVOI-UHFFFAOYSA-N 436.625 3.571 0 40 IHAB CCCCC1CCC(C(=O)OCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)CC1 6917204 CHAGWLLQOLPRII-UHFFFAOYSA-N 427.545 3.963 0 40 IHAB CCCCOc1ccc(C(=O)Nc2cc(C)c(OCC(=O)N3CCOCC3)c(C)c2)cc1 8444162 VYIKIHJMDHJENV-UHFFFAOYSA-N 440.540 3.972 0 40 IHAB CCN1C(=O)N/C(=C/c2ccc(OCc3cccc(C(=O)O)c3)c(Br)c2)C1=O 8451887 CSCJWTPLRMLOBU-MHWRWJLKSA-N 445.269 3.639 0 40 IHAB COc1ccc([C@@H](CC(=O)C(C)(C)CN2CCCCC2)SCCS(=O)(=O)O)cc1 8665079 KLOBKYUHYUPQQP-LJQANCHMSA-N 443.631 3.829 0 40 IHAB Cc1ccc2c(c1)N(CC(=O)N(Cc1ccccn1)Cc1ccco1)C(=O)[C@@H](C(C)C)O2 8680009 UPWUOCNVPLQUKN-XMMPIXPASA-N 433.508 3.962 0 40 IHAB O=C(CN1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21)N1CC=C(c2ccccc2)CC1 8709141 RIBHAMZHZVQKSO-RUZDIDTESA-N 445.563 3.582 0 40 IHAB Cc1cc(NC(=O)CSc2nnc(CN3CCCCC3)n2-c2ccc(Cl)cc2)no1 8723997 KWEQZNIYOHAXQM-UHFFFAOYSA-N 446.964 3.934 0 40 IHAB CCOc1c(Cl)cc(C(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)cc1Cl 8869252 NWADRIYZTZCAHC-CYBMUJFWSA-N 432.325 3.815 0 40 IHAB CSc1nc(NCC(C)C)c2cnn(CCNC(=O)CCCc3ccccc3)c2n1 8942864 DGIUABZHYOOHOD-UHFFFAOYSA-N 426.590 3.755 0 40 IHAB C[C@@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)NC1CCN(Cc2ccccc2)CC1 8994077 QEXWBIRRUXLCSK-GOSISDBHSA-N 446.547 3.830 0 40 IHAB COc1cccc(N2C(SCc3c(F)cccc3Cl)=N[C@H]3CS(=O)(=O)C[C@H]32)c1 9341355 VOROGHWVVWMFEX-ZWKOTPCHSA-N 440.949 3.763 0 40 IHAB COc1cc(/C=C\C(=O)NCCc2cc3cc(C)c(C)cc3[nH]c2=O)cc(OC)c1OC 9428136 AKAMJXHSUHSANX-SREVYHEPSA-N 436.508 3.543 0 40 IHAB COc1cccc([C@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3ncnn32)c1OC 9906957 NOKYILGCQCNDPS-SFHVURJKSA-N 425.876 3.876 0 40 IHAB O=C(Cc1ccccc1)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 9915513 JZKYRACZXIAAPP-UHFFFAOYSA-N 438.505 3.830 0 40 IHAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 9952351 SCGXMOUXFSDHQD-HXUWFJFHSA-N 429.520 3.907 0 40 IHAB NS(=O)(=O)Cc1ccc(CNC(=O)c2ccccc2SCc2ccsc2)cc1 10707103 YWEGZSMHGQWJIB-UHFFFAOYSA-N 432.592 3.759 0 40 IHAB O=C(NCc1ccc(S(=O)(=O)N2CCCC2)s1)c1ccc2[nH]c3c(c2c1)CCCC3 10772647 NCQQDYQGRNNDEQ-UHFFFAOYSA-N 443.594 3.823 0 40 IHAB CC1(C)CC(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)CC(C)(C)N1 11422685 BWSHNHWDVKAWFU-UHFFFAOYSA-N 433.549 3.666 0 40 IHAB O=C(Cc1cc(Cl)c2c(c1)OCCCO2)Nc1cccc(C(=O)NCC(F)(F)F)c1 11464718 SCUMMNOZKQSESL-UHFFFAOYSA-N 442.821 3.975 0 40 IHAB Cc1cc(-c2snnc2[C@H]2CCCN(C(=O)C[C@H](C)n3nc(C)c(C)c3C)C2)on1 12252044 IBCQUWRDACSNED-GUYCJALGSA-N 428.562 3.981 0 40 IHAB COc1ccc(/C=C2/NC(=S)N(C(=O)c3ccc(Cl)cc3Cl)C2=O)cc1OC 12504630 YBQOOTWWBXFKCY-VGOFMYFVSA-N 437.304 3.909 0 40 IHAB CCOc1ccccc1OCC(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2 12775628 ZUXLZOOWJODFIF-UHFFFAOYSA-N 444.553 3.516 0 40 IHAB CCOC(=O)c1c(NC(=O)c2cccc(C(F)(F)F)c2)sc2c1CCS(=O)(=O)C2 12805808 WQIDXJUSECAOLG-UHFFFAOYSA-N 447.456 3.667 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cncn2-c2ccc(F)cc2)cc1 12820293 WWMFCQYBNWAXSZ-MRXNPFEDSA-N 444.532 3.533 0 40 IHAB O=C(Nc1nc(CN2CCOCC2)cs1)c1ccccc1C(=O)c1ccc(F)cc1 12912360 DKZUMTGFLNZUDH-UHFFFAOYSA-N 425.485 3.598 0 40 IHAB O=C(CSc1ccc(Cl)c(C(F)(F)F)c1)NN1C(=O)NC2(CCCCC2)C1=O 13015304 WCJACQIVVNIKNU-UHFFFAOYSA-N 435.855 3.737 0 40 IHAB COc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)c(N(C)S(C)(=O)=O)cc1OC 13582618 BJXQAJXGKOVSOE-UHFFFAOYSA-N 433.313 3.659 0 40 IHAB CCOC(=O)c1ccc(C)c(NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)c1 13667619 AJGAZHIPJZHYBB-UHFFFAOYSA-N 432.542 3.700 0 40 IHAB O=C(NCCCn1nc(-c2ccc(Cl)cc2)ccc1=O)Nc1ccc2c(c1)OCO2 13801750 LAAZHVCQKAXBIV-UHFFFAOYSA-N 426.860 3.504 0 40 IHAB CCOC(=O)c1c(-c2ccccc2)oc2ccc(OC(=O)[C@@H]3CCS(=O)(=O)C3)cc12 14671048 JQKWZLYLDJNGNO-OAHLLOKOSA-N 428.462 3.617 0 40 IHAB CC[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1ccc(OC)cc1 15613193 KHOBUJRWFCDTAM-LAUBAEHRSA-N 434.533 3.503 0 40 IHAB CCOc1ccccc1NC(=O)Cc1csc(NC(=O)c2cc(OC)cc(OC)c2)n1 15881038 HGFGMLVBGZQVNW-UHFFFAOYSA-N 441.509 3.993 0 40 IHAB COc1ccc(Cc2nc(P(=O)(OC)OC)c(NCc3ccc4c(c3)OCO4)o2)cc1 16753183 XFRUSZMDKFTWAI-UHFFFAOYSA-N 446.396 3.726 0 40 IHAB CCn1nnc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)n1 17101132 QKENSUFQOPNTHB-VMPITWQZSA-N 437.312 3.786 0 40 IHAB O=C(c1ccccc1I)N1CCN(c2ccccc2Cl)CC1 17119249 XNAMRWMSXFCTBE-UHFFFAOYSA-N 426.685 3.907 0 40 IHAB CCc1ncc(CN2CCN(C)C(=O)[C@@H](Cc3cccc(-c4ccc(F)cc4)c3)C2)cn1 19523431 FBGXSUBUZYAGIB-QHCPKHFHSA-N 432.543 3.978 0 40 IHAB CCOc1cc(C)ccc1OCC(=O)N1CCC(c2cc(C(F)F)n3ncnc3n2)CC1 19532226 GASNXRQQXBDPLO-UHFFFAOYSA-N 445.470 3.554 0 40 IHAB Cc1n[nH]cc1C(=O)N1CC[C@](Cc2ccccc2-c2cccnc2)(C(=O)NCC(C)C)C1 19582287 XCZKNXWPGXBJGI-AREMUKBSSA-N 445.567 3.627 0 40 IHAB CNC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CCN(C(=O)Cc2ccccc2OC)C1 19591521 ITKDIIFLXJYZJX-MHZLTWQESA-N 443.547 3.507 0 40 IHAB COc1ccc(-c2cnc(N(C)C)nc2[C@H]2CCCCN2C(=O)CCn2nccc2C)cc1 19694326 DBSQYYSCYONVLN-JOCHJYFZSA-N 448.571 3.867 0 40 IHAB Cc1ccc([C@H]2CCCN2C(=O)c2ccc(=O)n(CC(=O)NC3CCCCC3)c2)cc1C 19751255 BOOVJLMASJVQBW-HSZRJFAPSA-N 435.568 3.891 0 40 IHAB CCS(=O)(=O)c1ccc(O)c(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)c1 21399569 JBFNRRBFSMIMJY-UHFFFAOYSA-N 436.436 3.690 0 40 IHAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cccc(C(F)(F)F)c2)c1 22229882 HFXRJTLBVZQDPD-KRWDZBQOSA-N 442.459 3.814 0 40 IHAB CCN(CC(=O)N[C@H](C)c1cc(C)c(C)cc1C)S(=O)(=O)c1cc(C)ccc1OC 22536328 GSXKTKWIBCCEPE-LJQANCHMSA-N 432.586 3.817 0 40 IHAB Cc1cccc(NC(=O)CN2CCN(Cc3nnc(-c4ccccc4Cl)o3)CC2)c1C 22935176 XSXIFWFRQWNYCK-UHFFFAOYSA-N 439.947 3.763 0 40 IHAB COC(=O)c1ccc(OC)c(Cn2cnc3c(-c4ccc(OC)cc4)csc3c2=O)c1 23126643 KMTUAYCUCWGPTG-UHFFFAOYSA-N 436.489 3.977 0 40 IHAB Cc1ccc(F)cc1NC(=O)COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 23804957 LOIUFRSUJKAHGE-UHFFFAOYSA-N 439.409 3.946 0 40 IHAB Cc1occc1C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(F)(F)F 25873644 RBBMVWPLQZRHAU-UHFFFAOYSA-N 432.420 3.566 0 40 IHAB CC(=O)c1cccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 27425663 MJHZDMPFYMPLDE-HSZRJFAPSA-N 426.476 3.851 0 40 IHAB Cc1ccc([C@H](NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)c2ccccc2)cc1 30751329 SGUMVKBGYGNGTF-XMMPIXPASA-N 437.565 3.514 0 40 IHAB CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C)c1cccc2ccccc12 32201043 ZNGKWUQOGZKWMW-ZHRRBRCNSA-N 435.549 3.780 0 40 IHAB CCOc1cc(C(=O)NCCCN2C[C@H](C)O[C@H](C)C2)cc(-c2ccccc2)c1OC 32297475 UYOMLRJTDLRRAZ-KDURUIRLSA-N 426.557 3.990 0 40 IHAB CCONC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2OC)c1 32848264 NTUDJNRWUZHHEJ-UHFFFAOYSA-N 440.521 3.772 0 40 IHAB COc1ccccc1N(C(C)=O)c1nc(COC(=O)CCc2c(C)nn(C)c2C)cs1 32862215 ZKPYUXUEQNVFTB-UHFFFAOYSA-N 442.541 3.863 0 40 IHAB Cc1noc2ncc(C(=O)N3CCN(C(=O)C(c4ccccc4)c4ccccc4)CC3)cc12 32909971 DWLOCAPZLYYWDA-UHFFFAOYSA-N 440.503 3.648 0 40 IHAB CCC[C@@H](C)NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(OC)c(Cl)c1 33627824 FNTVHGGSSGXIQE-OAHLLOKOSA-N 430.998 3.977 0 40 IHAB C[C@H](NC(=O)c1ccccc1F)c1nnc(SCC(=O)Nc2ccc(Cl)cc2)n1C 33642247 AFKKYPXQOMOZJY-LBPRGKRZSA-N 447.923 3.829 0 40 IHAB COc1ccc([C@]2(O)NC(=O)N[C@H](c3ccc(C(C)C)cc3)[C@H]2C(=O)C(F)(F)F)cc1 35023526 FWKIKXUDPVZZGV-WAOWUJCRSA-N 436.430 3.765 0 40 IHAB Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)cc1C 40071831 HPWCYCUSSWCYDJ-KRWDZBQOSA-N 444.553 3.708 0 40 IHAB COc1cc(OC)c(NC(=O)c2cn(-c3ccccc3Br)nn2)cc1Cl 40073571 JBGWRSXMGADGAR-UHFFFAOYSA-N 437.681 3.953 0 40 IHAB Cc1nn(-c2ccc3nnc(C)n3n2)c2c1[C@H](c1cccc(OC(F)F)c1)CC(O)=N2 40266861 YCDVBHYHBZJPNX-AWEZNQCLSA-N 425.399 3.652 0 40 IHAB CSc1ccccc1CN1CCC(CNC(=O)C(=O)Nc2ccc(F)c(F)c2)CC1 43942559 IHEYCSUMCOINPM-UHFFFAOYSA-N 433.524 3.654 0 40 IHAB Cc1csc([C@@](O)(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)C(F)(F)F)n1 48313245 LVGVLAXBFYXFCC-KUHUBIRLSA-N 442.459 3.726 0 40 IHAB O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)[C@@H](c1ccccc1)n1cccn1 48356007 LITWZLVBSSKGEV-HXUWFJFHSA-N 444.944 3.549 0 40 IHAB COCCCNC(=O)[C@@H]1Cc2cn(Cc3cc(C)on3)c3cccc(c23)[C@H](CC(C)C)N1 49171937 ABLSVTRRMTYTGX-VXKWHMMOSA-N 438.572 3.740 0 40 IHAB biogenic,in-vitro Cc1cc2nn(CC(=O)Nc3ccc(Cl)cc3)c(=O)n2c(Nc2ccc(F)c(C)c2)n1 49410715 URGBCBORQBHQFZ-UHFFFAOYSA-N 440.866 3.683 0 40 IHAB COc1cc(NC(=O)Cn2c(C)cc3nc(SC)n(CC(C)C)c(=O)c32)cc(OC)c1 67319981 JNIHHHUBHLTRJG-UHFFFAOYSA-N 444.557 3.540 0 40 IHAB Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)NCc3ccc(S(C)(=O)=O)cc3)c12 71957534 SOWJFCNTFDUUOD-UHFFFAOYSA-N 442.585 3.952 0 40 IHAB COc1ccc(NC(=O)Cn2nc(-c3cccs3)c(-c3cc(C)no3)cc2=O)cc1F 72337302 ALSLWZYJORFHHY-UHFFFAOYSA-N 440.456 3.722 0 40 IHAB O=C(O)C[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1)c1cccs1 95356865 QCMDKIXDCZJWMK-CQSZACIVSA-N 436.536 3.556 0 40 IHAB COc1cccc(-c2ccc3ccc(-n4ccc(C(=O)N5CC[C@@H](N(C)C)C5)n4)n3c2)c1 96155465 OQFXKYVXHXKMQX-OAQYLSRUSA-N 429.524 3.577 0 40 IHAB COc1ccc(CN2C[C@H]3CN(Cc4cccc(OC(F)(F)F)c4)CCN3C2=O)cc1 96269132 GZWMTWFVWQNQMR-GOSISDBHSA-N 435.446 3.716 0 40 IHAB biogenic,in-vitro COc1ccc2c(c1)[C@H]1C[C@](C)(O2)N(C)C(=O)[C@@H]1S(=O)(=O)c1ccc(C(C)C)cc1 100894846 SLJZKUWMQWWDMC-LSWJPFSZSA-N 429.538 3.715 0 40 IHAB CC(=O)c1ccc(OC(=O)c2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H]([C@H]6C[C@H]56)[C@@H]4C3=O)cc2)cc1 101231850 USQQQIOFMAIXEB-AJIIZAQNSA-N 427.456 3.666 0 40 IHAB Cc1ccc(NC(=O)CN(c2ccc(Br)c(C)c2)S(C)(=O)=O)cc1C 108971363 WZIIZTOBNILPHK-UHFFFAOYSA-N 425.348 3.779 0 40 IHAB COc1cccc(N([C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)S(C)(=O)=O)c1 220174954 SSFZDAPBIBEMKA-SFHVURJKSA-N 438.549 3.756 0 40 IHAB COc1ccc(CN(C)C(=O)[C@@H](C)N(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1 220243092 FZWKZFCTDXUDGM-CYBMUJFWSA-N 445.368 3.815 0 40 IHAB CCc1ccc(N([C@@H](C)C(=O)NCCCc2cccc(OC(C)C)c2)S(C)(=O)=O)cc1 220286275 SHPCZXNGZVQAGI-IBGZPJMESA-N 446.613 3.940 0 40 IHAB C[C@H](C(=O)NCc1ccc2c(c1)OCO2)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 222917941 ZPKLDXBEXUUBNR-GOSISDBHSA-N 448.494 3.831 0 40 IHAB CSc1ccc(S(=O)(=O)NCCCN2CCCCCC2)cc1NC(=O)C(C)C 223265416 PQKVHTQBZBEAPB-UHFFFAOYSA-N 427.636 3.547 0 40 IHAB CS(=O)(=O)N(CC(=O)NCCOc1ccc2ccccc2c1)c1cccc2ccccc12 223593417 BHTDPXCEBUGWFX-UHFFFAOYSA-N 448.544 3.954 0 40 IHAB C[C@@H](C(=O)NCCOc1ccc2ccccc2c1)N(c1cccc(Cl)c1)S(C)(=O)=O 223604331 RFMWIDCHFPKMKK-INIZCTEOSA-N 446.956 3.843 0 40 IHAB Cc1ccc(OCCNC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1Cl 224131173 CFYHLAPMQCVSDC-UHFFFAOYSA-N 445.368 3.571 0 40 IHAB Cc1ccc(C(=O)NCc2cccnc2)cc1N(C)S(=O)(=O)c1ccc(Cl)cc1 224317607 LXKOOXMXNONZSW-UHFFFAOYSA-N 429.929 3.799 0 40 IHAB CCN(Cc1ccc(C(=O)N2CCCCCC2)cc1)S(=O)(=O)c1ccc(OC)cc1 224464753 ZEAZGBSEGJVHET-UHFFFAOYSA-N 430.570 3.922 0 40 IHAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1cc(OC)cc(OC)c1 225079360 INZCHRFVERUWJK-MOPGFXCFSA-N 442.556 3.723 0 40 IHAB COC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(OC)c(F)c1 225100401 ITFBYEDIULXIEO-UHFFFAOYSA-N 445.468 3.995 0 40 IHAB Cc1ccccc1-n1c(CC2CCN(C(=O)CCc3cccc(Cl)c3)CC2)n[nH]c1=O 225550108 ZDBTXBMZQYJIKR-UHFFFAOYSA-N 438.959 3.936 0 40 IHAB CC(C)(C)NC(=S)Nc1nc(N2CCN(c3ccccc3)CC2)cc(C(F)(F)F)n1 225896487 VKDMKVIRKSEVEU-UHFFFAOYSA-N 438.523 3.907 0 40 IHAB C[C@@H](CNC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1)c1ccccc1 260793150 KLWLXBPJYCZCTP-FDDCHVKYSA-N 436.533 3.563 0 40 IHAB COc1ncccc1CN1CCN(CC2CC2)[C@H](c2cn3c(N4CCCC4)cccc3n2)C1 306132152 LABSLVDALNJFGI-QHCPKHFHSA-N 446.599 3.607 0 40 IHAB O=C(NCCn1cc(-c2nc(-c3cccs3)no2)nn1)c1cccc(Cl)c1Cl 390828887 VCIXTYOBXQWWJD-UHFFFAOYSA-N 435.296 3.793 0 40 IHAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3cccnc3)c(Cl)c2)cc1 408592817 LYJZAEWLCDGSRV-UHFFFAOYSA-N 445.928 3.539 0 40 IHAB CCc1ccccc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@@H]3CC[C@H](C)C[C@H]3C2=O)cc1 408662228 NPMNHRUUXNJTJY-ZLGUVYLKSA-N 448.519 3.970 0 40 IHAB COc1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)ccc1O[C@H](C)C(=O)O 409010763 LBFGFXHJQKOFKZ-HIPMGEKLSA-N 431.441 3.923 0 40 IHAB Cc1ccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3cc(C)cc(C)c3)n2C)cc1 409135734 RZNQOPAESQWDNR-QGZVFWFLSA-N 437.569 3.962 0 40 IHAB Cc1cccc(-n2c(CCc3ccccc3)nnc2SCC(=O)NC[C@@H]2CCCO2)c1 409203463 WMXMELRRKHDYDL-NRFANRHFSA-N 436.581 3.748 0 40 IHAB COc1cc(-c2nc(O)c3ccccc3n2)ccc1OS(=O)(=O)c1ccc(F)cc1 409271009 JETAFGCIKSAUQQ-UHFFFAOYSA-N 426.425 3.918 0 40 IHAB O=C(Nc1ccc2c(=O)cc[nH]c2c1)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 508197625 FYSQKMYBKBQSKB-QHCPKHFHSA-N 425.444 3.723 0 40 IHAB CCOc1ccccc1N1CCN(S(=O)(=O)c2cc(Cl)c(OC)cc2Cl)CC1 517285410 ZPZQXRJDEFBAPA-UHFFFAOYSA-N 445.368 3.912 0 40 IHAB O=C(CCCc1ccccc1)N[C@@H]1CCCN(C(=O)c2cccc(Cn3ccnc3)c2)C1 560971344 ZVYRLPHLWOZOQC-XMMPIXPASA-N 430.552 3.675 0 40 IHAB Cc1nc(CC(=O)N2CCC[C@@]3(CCCCc4ccccc4OCCNC3=O)C2)cs1 643560389 QABFTOABVDKLJI-DEOSSOPVSA-N 441.597 3.524 0 40 IHAB C[C@H]1CC[C@]2(OC1)O[C@@H]1C[C@@H]3[C@@H]4C[C@@H](O)[C@H]5C[C@@H](O)[C@@H](O)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C 2049252018 FYRLHXNMINIDCB-MHTUULKHSA-N 448.644 3.735 0 40 IHAB COc1ccccc1NC(=O)c1sc2ncn([C@H](C)C(=O)OC(C)C)c(=O)c2c1C 791237 XTAJMAZGUAYSHC-CYBMUJFWSA-N 429.498 3.540 0 40 IHAB CCc1ccc(NC(=O)CSc2nnc(CSc3nc(C)cc(C)n3)n2C)cc1 907044 VLDXGOXJJFERMB-UHFFFAOYSA-N 428.587 3.807 0 40 IHAB COc1ccc(-c2cc(C(F)(F)F)n(-c3cc(C)nc(N(C(C)=O)C(C)=O)n3)n2)cc1 1407813 ZWPUWVRKFFZWKY-UHFFFAOYSA-N 433.390 3.565 0 40 IHAB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(OC(C)C)c(OC)c2)N1C(C)=O 2087725 ROVKXANRMCNNOH-RDPSFJRHSA-N 436.508 3.999 0 40 IHAB biogenic COCCNC(=O)c1nn2c(c1Br)N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F 2301783 RZODMPHKMWQQHB-NWDGAFQWSA-N 447.255 3.682 0 40 IHAB COc1ccc(-c2nc3s/c(=C\c4ccc(Cl)c(Cl)c4)c(=O)n3n2)cc1OC 2397426 JCZVZEIAMSYBMY-PXNMLYILSA-N 434.304 3.690 0 40 IHAB CN(C)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(Br)cc1 2428112 NPYWQLDQNBCNII-GOSISDBHSA-N 427.298 3.662 0 40 IHAB CCOC(=O)[C@@H](CC(C)C)NC(=O)/C(=C/c1ccc(F)cc1)NC(=O)c1ccccc1 2978617 IVIZZMQBVOENKB-WOHXKIKESA-N 426.488 3.691 0 40 IHAB Nc1nnc(S[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)s1 3227135 SGYDSGYUDRBGNV-CQSZACIVSA-N 426.976 3.586 0 40 IHAB COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)N[C@H](C)N1C(=O)[C@H]2CCCC[C@H]2C1=O 4680411 GQKYRYULAUMKPA-RYQLBKOJSA-N 425.529 3.928 0 40 IHAB C[C@H](C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)N1CCCCCC1 7378158 BTAZIMOYRQMMTR-MRXNPFEDSA-N 427.998 3.718 0 40 IHAB O=C(Nc1ccccc1Cl)[C@@H]1[C@@H]2C(=O)N(CCc3c[nH]c4ccccc34)C[C@]23C=C[C@H]1O3 8879562 JKCDUQKQKPKOSA-WTEVXDJOSA-N 447.922 3.785 0 40 IHAB biogenic O=C(CSc1nnnn1-c1cccc(F)c1)Nc1ccccc1C(=O)Nc1ccccc1 9167272 QAGPUVIOASQLPO-UHFFFAOYSA-N 448.483 3.785 0 40 IHAB CCCN1C(=O)C(C)(C)COc2ccc(NS(=O)(=O)c3ccc(OC)c(OC)c3)cc21 9171735 IHICKSXOWOEBBW-UHFFFAOYSA-N 448.541 3.666 0 40 IHAB CCOc1ccc(NC(=O)[C@H]2Sc3nnc(CC)n3N[C@H]2c2ccc(OC)cc2)cc1 9197376 LKMNOGZVNQNSMB-PMACEKPBSA-N 439.541 3.646 0 40 IHAB Cc1ccc2nc(NC(=O)CSc3nnc4ccc(-c5ccccn5)nn34)sc2c1 9241409 NAHKNIUZTNJGIQ-UHFFFAOYSA-N 433.522 3.835 0 40 IHAB COc1cc(C)ccc1OCc1nnc(SCC(=O)Nc2ccc(F)cc2F)n1C 9303824 HWGFEMVFUNKGTE-UHFFFAOYSA-N 434.468 3.720 0 40 IHAB Cc1ccc(C)c(NC(=O)CSc2nc3nccnc3c(=O)n2Cc2cccs2)c1 9405361 QWJVFOFBQOORBE-UHFFFAOYSA-N 437.550 3.644 0 40 IHAB COc1ccc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)C[S@](=O)C3)c(OC)c1 9413839 COOMBXLYTGAFBR-LJAQVGFWSA-N 431.901 3.558 0 40 IHAB CCCCCCOc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)OCCOC)cc1OC 9441015 SVIGEQWYUFYWRL-FQEVSTJZSA-N 436.574 3.637 0 40 IHAB COc1ccccc1NC(=O)c1ccc(NC(=O)COC(=O)c2n[nH]c3ccccc23)cc1 9546164 VGJRRPHKORPVMR-UHFFFAOYSA-N 444.447 3.619 0 40 IHAB O=C1S[C@H](Nc2cccc3ccccc23)C(=O)N1CCN1C(=O)c2ccccc2C1=O 10152139 SXIZVSKZSZGKTP-IBGZPJMESA-N 431.473 3.569 0 40 IHAB COc1ccc(-c2cc3nc([C@@H](C)NC(=O)c4oc5c(c4C)C(=O)CCC5)nn3cn2)cc1 12085125 HAMSYJHCLDZPDN-CQSZACIVSA-N 445.479 3.711 0 40 IHAB COc1ncc(-c2nc(N(C)CCc3ccccn3)ncc2-c2ccsc2)c(OC)n1 12144388 BXCJIPSWWQFKDR-UHFFFAOYSA-N 434.525 3.753 0 40 IHAB C[C@H]1CN(c2ncc3c(n2)CC(C)(C)C[C@H]3NC(=O)Cc2ccccc2F)C[C@@H](C)O1 12240936 DODNRGHIBGJGBQ-GQIGUUNPSA-N 426.536 3.602 0 40 IHAB O=C(NCc1ccccc1)[C@H](c1cccnc1)N(C(=O)c1csnn1)c1ccc(F)cc1 12472228 LZDPUCLEHRLTBM-NRFANRHFSA-N 447.495 3.777 0 40 IHAB O=C(C[C@](O)(c1nc2ccccc2s1)C(F)(F)F)NCCCn1cnc2ccccc21 12548265 ZCXXRDKWLXAONT-FQEVSTJZSA-N 448.470 3.993 0 40 IHAB O=C(CNc1cccc(S(=O)(=O)N2CCCCCC2)c1)Nc1ccc2c(c1)CCC2 12607573 IBERNGLQPNYEKP-UHFFFAOYSA-N 427.570 3.791 0 40 IHAB COc1cccc(N(C(=O)c2csnn2)[C@H](C(=O)NC(C)(C)C)c2ccc(F)cc2)c1 12637722 QXSHVXIVICZJAP-IBGZPJMESA-N 442.516 3.989 0 40 IHAB CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1)c1ccccc1 12738824 WEUULSFGIDGMAX-IYBDPMFKSA-N 436.961 3.805 0 40 IHAB O=C(c1ccc(-c2ccccc2)cc1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 12788240 DNBJWYBMYBEZDU-UHFFFAOYSA-N 442.487 3.779 0 40 IHAB O=C(COC(=O)c1cccc2ccccc12)NCC(=O)Nc1ccccc1Br 12901902 MEMWUBCJAYUAII-UHFFFAOYSA-N 441.281 3.514 0 40 IHAB CCCCC[C@@H](C)NC(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCC3)=NC2=O)cc1 12902777 WVSHDPASHXJIKF-VQIMIIECSA-N 444.601 3.808 0 40 IHAB C[C@@H](Sc1ccccc1C(=O)OCC(=O)C(C)(C)C)C(=O)Nc1ccc(C(N)=O)cc1 12975816 AGWHFMJHPHAOOD-CQSZACIVSA-N 442.537 3.677 0 40 IHAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Nc2cccc(S(=O)(=O)N(CC)CC)c2)c1C 13069368 JZXVFWGRHKJCQD-MRXNPFEDSA-N 449.573 3.522 0 40 IHAB C[C@@H](Sc1nnc(COc2ccc(Cl)cc2)o1)C(=O)NCc1ccc2c(c1)OCO2 13117491 OQHWJCOROMABQD-GFCCVEGCSA-N 447.900 3.828 0 40 IHAB COc1ccccc1NC(=O)c1ccc(NC(=O)CN2C(=O)CC3(CCCCC3)C2=O)cc1 13163703 ITSPSQFUANKGOR-UHFFFAOYSA-N 449.507 3.595 0 40 IHAB Cc1nnc2sc(-c3ccc(NC(=S)NC(=O)Cc4ccc(Cl)cc4)cc3)nn12 14271426 JKYXBQDMAOCFSH-UHFFFAOYSA-N 442.957 3.870 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cc(Cl)ccc1Cl 14427219 MOFNELOYZYHSSW-UHFFFAOYSA-N 429.325 3.575 0 40 IHAB Cc1ccc2c(c1)c1c3n2CCN(S(=O)(=O)c2ccc4c(c2)CCC(=O)N4)[C@H]3CCC1 15083486 JMWFDOWRWFSACC-QFIPXVFZSA-N 435.549 3.916 0 40 IHAB OCc1ccc(CN2Cc3nc[nH]c3C[C@H]2c2nc(-c3ccc(F)c(Cl)c3)no2)o1 15707273 QHTXBVOLEPEGSG-SFHVURJKSA-N 429.839 3.637 0 40 IHAB biogenic,in-vitro COc1ccccc1NC(=O)Cn1cc(OC)c(=O)cc1CSc1nc(C)cs1 15883850 VIUNHAMTCJEMEK-UHFFFAOYSA-N 431.539 3.561 0 40 IHAB O=C(c1ccccc1NS(=O)(=O)c1c(F)cc(F)cc1Br)N1CCCC1 16121206 FCQMUHSJJPILCD-UHFFFAOYSA-N 445.285 3.764 0 40 IHAB COC(=O)c1ccc(NC(=O)Cn2nc(C3CCCCC3)n(-n3cccc3)c2=S)cc1 16807159 MBLWKATYDODZRC-UHFFFAOYSA-N 439.541 4.000 0 40 IHAB CCOC(=O)[C@@H]1CCCN(C(=O)CCc2csc3nc(-c4ccc(OC)cc4)cn23)C1 16848786 FWFLOSFUAGPGCZ-QGZVFWFLSA-N 441.553 3.806 0 40 IHAB C=Cn1cccc1C(=O)N1CCC(O)(Cn2ccc3nc(-c4ccncc4)ccc32)CC1 19016178 JHAGHIILODUHLV-UHFFFAOYSA-N 427.508 3.668 0 40 IHAB Cc1cnccc1-c1cnc(N(C)C)nc1[C@@H]1CCCN1C(=O)COc1ccccc1F 19239827 VUZXYZQETACIEW-FQEVSTJZSA-N 435.503 3.795 0 40 IHAB O=C1CCCC[C@]2(CN(Cc3ccc(Oc4ncccn4)cc3)C[C@H]2c2cccnc2)N1 19339997 PCGLHDFIESBZDE-WIOPSUGQSA-N 429.524 3.692 0 40 IHAB NC(=O)[C@H]1CCCN(C(=O)C2(Cc3ccccc3-c3ccc(F)c(F)c3)CCOCC2)C1 19348501 VFRWPXBBCTTWFS-IBGZPJMESA-N 442.506 3.695 0 40 IHAB CC(C)c1ccc(C(=O)N2CCC(c3nc4cnccn4c3NC(C)(C)C)CC2)c(=O)[nH]1 19453091 ASISZSJBEWCARH-UHFFFAOYSA-N 436.560 3.771 0 40 IHAB CC1CCC(N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CN(C(=O)c2cccs2)CC3)CC1 19495950 CKGXVPGKFLYRSA-LADRWXRNSA-N 426.586 3.746 0 40 IHAB COc1cccc(C(=O)N2CCC(c3cc(C(=O)NCc4ccc(F)cc4)on3)CC2)c1 19564291 LUYDXNLQGDSDFM-UHFFFAOYSA-N 437.471 3.772 0 40 IHAB C[C@@H]1C[C@H](C(F)(F)F)n2nc(C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)cc2N1 19575022 IITMSHBBZCEZOP-SJKOYZFVSA-N 446.470 3.898 0 40 IHAB O=C1CCCC[C@@H]2[C@H](CCN2C(=O)COc2ccc(F)cc2)N1Cc1ccccc1F 19713858 IAUGZDFRHAOJJY-YADHBBJMSA-N 428.479 3.916 0 40 IHAB Cc1nc([C@H]2CCCN(C(=O)c3ccncc3)C2)nc2c1CCCN2CCc1ccccn1 19753042 DEDREDCZXUBMMR-NRFANRHFSA-N 442.567 3.590 0 40 IHAB CC(=O)c1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3cccc(Cl)c3)C2)c1 19860405 JJCGGVIYNIKALT-SFHVURJKSA-N 434.945 3.723 0 40 IHAB COc1ccccc1N1CCN([C@H](C(=O)O)c2c[nH]c3ccc(Br)cc23)CC1 20726402 DOPDHKQPUHHUAH-FQEVSTJZSA-N 444.329 3.887 0 40 IHAB Cc1ccc2c(c1)[C@H](NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O)CC(C)(C)O2 22331386 QWVRPBNNJQBKHY-GOSISDBHSA-N 436.961 3.833 0 40 IHAB COc1cccc(-c2noc(CSc3nc(CN4CCOCC4)nc4ccccc34)n2)c1 22358760 YJDOFFKWKZWUEH-UHFFFAOYSA-N 449.536 3.813 0 40 IHAB Cc1nc(COc2ccccc2C(=O)NCc2ccc(CN3CCOCC3)cc2)cs1 22694552 CJGZQNHOCCZUKW-UHFFFAOYSA-N 437.565 3.793 0 40 IHAB Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1NS(=O)(=O)c1ccccc1 22874421 LXIVDWITZHPYDG-UHFFFAOYSA-N 449.576 3.754 0 40 IHAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@@H](C)NC[C@H]1CCCN1CC 22919269 RELJNUHHANEZHV-SJLPKXTDSA-N 429.586 3.993 0 40 IHAB Cc1ccc(-c2nc(C)c(C(=O)N3CSC[C@H]3C(=O)NCc3ccccc3)s2)o1 24668424 QQIQSULYFCOAOX-INIZCTEOSA-N 427.551 3.851 0 40 IHAB C[C@H](OC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3)C(=O)N1c2ccccc2C[C@@H]1C 24843605 XLFVGRDFTNSGKF-IRXDYDNUSA-N 445.519 3.646 0 40 IHAB O=C(Nc1cc2c(cc1Cl)OCCCO2)C1CCN(C(=O)OCC(F)(F)F)CC1 26987268 PTQSJWIGYHLKPR-UHFFFAOYSA-N 436.814 3.851 0 40 IHAB CSc1ncc(C(=O)N2CCC(c3nnc4ccccn34)CC2)n1-c1ccc(F)cc1 27138407 WPHDRKZRCYBPSX-UHFFFAOYSA-N 436.516 3.796 0 40 IHAB O=C(c1cc(=O)c2cc(Br)ccc2o1)N(Cc1ccco1)C[C@H]1CCCO1 28251376 XPPGKBVZYZHQIQ-OAHLLOKOSA-N 432.270 3.970 0 40 IHAB CCn1c(=O)c2ccccc2n2c(CSc3nnc4c(Cl)cc(Cl)cn34)nnc12 29355432 VAZSSFDUNOIRTG-UHFFFAOYSA-N 446.323 3.706 0 40 IHAB COc1ccc2c(c1)CCCN2C(=O)CSc1nnc([C@H]2COc3ccccc3O2)o1 29509882 JFOGZKVNHMXYQD-LJQANCHMSA-N 439.493 3.662 0 40 IHAB O=C(CCN1C(=O)COc2ccccc21)OCc1csc(COc2ccc(F)cc2)n1 32776283 ZMYSVSGVJQNXSL-UHFFFAOYSA-N 442.468 3.720 0 40 IHAB CC(C)c1nnc(S[C@H](C(=O)N2CCOCC2)c2ccccc2)n1Cc1ccco1 32865342 YBYOOOVCGGBXKS-IBGZPJMESA-N 426.542 3.735 0 40 IHAB O=C(COc1ccc(/C=C2/C(=O)N(Cc3ccco3)C(=O)N=C2O)cc1)Nc1ccccc1 33775226 XGVXRCVCAJRNPF-DEDYPNTBSA-N 445.431 3.799 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)N2CCN(CC(=O)Nc3c(C)cccc3C(C)C)CC2)c1 34895975 SXMQHUKRBHDZQT-UHFFFAOYSA-N 443.613 3.680 0 40 IHAB O=C(NCCN1C(=O)S/C(=C/c2ccccc2)C1=O)c1cccc(Br)c1 35332087 DOTCREYVGPXHAV-LFIBNONCSA-N 431.311 3.915 0 40 IHAB Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2Cc3ccccc3CN2)c(C)c1 35485607 LTPSFSITJKQBID-DQEYMECFSA-N 427.548 3.684 0 40 IHAB CC[C@H](CCNC(=O)c1cc(-c2ccc(OC)cc2)nc2c1c(C)nn2C)n1cccn1 36617022 PXJCUXLKBHRXJL-GOSISDBHSA-N 432.528 3.920 0 40 IHAB COc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1OC 36839441 VSHVPVSTZFKVIW-GHAUVCPBSA-N 426.557 3.527 0 40 IHAB O=C1C[C@@H](C(=O)Nc2ccccc2)c2c(nc(Nc3cccc(C(F)(F)F)c3)[nH]c2=O)N1 40400182 QLOLAGCAYBXQJU-CQSZACIVSA-N 443.385 3.597 0 40 IHAB Cc1ccc(CSCCNC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 44791499 CZEJEWSLNZVTSO-UHFFFAOYSA-N 441.018 3.772 0 40 IHAB CCOC(=O)[C@@H]1CCCN([C@@H]2CC(=O)N(c3ccccc3Sc3ccccc3)C2=O)C1 57256236 KNPYMOWDLIKHOY-YLJYHZDGSA-N 438.549 3.745 0 40 IHAB COc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccc4c(c3)OCO4)no2)c(OC)c1 57487031 CELXPCQODBGQAD-UHFFFAOYSA-N 448.435 3.590 0 40 IHAB CCc1ccc(CNC(=O)Cn2cccc2-c2nc(-c3ccc4c(c3)OCO4)no2)cc1 57487095 ZKRDCDDSBQYHSF-UHFFFAOYSA-N 430.464 3.813 0 40 IHAB COC(=O)c1ccc(Cl)cc1NC(=O)Cn1c(Nc2cccc(F)c2)nc(C)cc1=O 57506383 CSUFGCYNTRNCRV-UHFFFAOYSA-N 444.850 3.513 0 40 IHAB COc1ccc(OC)c([C@@H](C)NC(=O)CN(C)Cc2csc(Br)c2)c1 60040742 IORLRVIWLLJAHH-GFCCVEGCSA-N 427.364 3.837 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCCOC3CCCC3)cc2)cc1 61258600 UTIFKNBEXWOXKU-UHFFFAOYSA-N 430.570 3.899 0 40 IHAB COC(=O)c1ccc(NC(=O)CSc2nc3ccccc3n3c(C(C)C)nnc23)cc1 64949218 HNBXBCVNJYJXKN-UHFFFAOYSA-N 435.509 3.918 0 40 IHAB COc1ccccc1Cn1c(=O)c2sccc2n(CC(=O)Nc2c(C)cccc2C)c1=O 67205511 SSMCILULKQRWAZ-UHFFFAOYSA-N 449.532 3.537 0 40 IHAB O=S(=O)(c1ccccc1)c1nnn2c1nc(NCCc1cccs1)c1ccccc12 67261354 LKNNFEPJGHSBIV-UHFFFAOYSA-N 435.534 3.826 0 40 IHAB CC(C)NC(=O)C1(Cc2cccc(-c3cncnc3)c2)CCN(C(=O)c2ccccn2)CC1 72345334 PYDGRWNVKPAQNH-UHFFFAOYSA-N 443.551 3.528 0 40 IHAB COc1ccc(Cl)cc1C(=O)N1CCN(C)C(=O)[C@H]1Cc1ccc(-c2ccncc2)cc1 72351829 VELDDZUULBGFSC-JOCHJYFZSA-N 449.938 3.936 0 40 IHAB O=C(Nc1cnc(N2CCN(c3ccccn3)CC2)nc1)Nc1cccc(C(F)(F)F)c1 77196674 KUKRRQUQAZVINI-UHFFFAOYSA-N 443.433 3.861 0 40 IHAB Cc1ccc2c(c1)C(=O)N(CCCC(=O)N1CC[C@@H](Oc3ccccc3Cl)C1)C2=O 84207947 NAYFKTYHGSAHBE-MRXNPFEDSA-N 426.900 3.705 0 40 IHAB O=C(C[S@](=O)Cc1csc(Br)c1)Nc1ccc2c(c1)OC(F)(F)O2 84459741 YMAFHAQMPOSMIB-DEOSSOPVSA-N 438.271 3.720 0 40 IHAB Nc1nc(Cl)cc(N2CCC[C@H]2c2nc(Cc3ccc(Br)cc3)no2)n1 95394836 QQBMBALOEJTTDA-LBPRGKRZSA-N 435.713 3.790 0 40 IHAB CC(C)[C@H]1CN(CC(F)(F)F)CCN1CCCS(=O)(=O)c1ccc(Cl)cc1 95468503 CZRJCLUQOXNSQE-QGZVFWFLSA-N 426.932 3.708 0 40 IHAB COc1cc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3[C@H]2CCOC(C)(C)C2)cc(OC)c1O 96117732 DNDPYEHOIXWJFG-UGSOOPFHSA-N 433.530 3.915 0 40 IHAB CCN1CC[C@]2(CN(CC(C)C)CC23CCN(C(=O)Nc2ccc(OC)cc2)CC3)C1=O 96144345 FIEUDMZHJNXKTL-VWLOTQADSA-N 442.604 3.520 0 40 IHAB CC(=O)Nc1cccc(NC(=O)[C@H]2CC[C@H](Cn3c(O)nc4ccccc4c3=O)CC2)c1 101526915 PFYDWLWDOUQOTL-CALCHBBNSA-N 434.496 3.506 0 40 IHAB CCOc1ccc(NC(=O)c2cnn3c2NC(C(=O)O)=C[C@H]3c2ccc(OC)cc2)cc1 101836382 UXHYGJAXGVVQFC-FQEVSTJZSA-N 434.452 3.526 0 40 IHAB CC(=O)O[C@H](C(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C 118923174 UQDCTELYBPUWFG-MXLUPDBOSA-N 448.556 3.772 0 40 IHAB O=C(O)[C@@]12C[C@@H]3C[C@@H](C[C@@](n4ncc(NCCc5ccccc5)c(Cl)c4=O)(C3)C1)C2 217552315 SQNYUQZVNJIZKC-HLYHAVAHSA-N 427.932 3.931 0 40 IHAB CC[C@H](C(=O)NCCCc1ccc(Cl)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 219110878 OPMCMTUOXPPJAU-LJQANCHMSA-N 426.941 3.773 0 40 IHAB CCCCNC(=O)c1ccccc1NC(=O)[C@H](C)N(c1ccc(CC)cc1)S(C)(=O)=O 220278437 OAIACCALRZXGGR-KRWDZBQOSA-N 445.585 3.572 0 40 IHAB C[C@H](C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220460376 SQNVASIGLCBVIU-FZKQIMNGSA-N 438.496 3.538 0 40 IHAB O=C(c1cnc2sc3c(n2c1=O)CCCC3)N1CCc2cc(Br)ccc21 223040088 GIJUHCQRHNHOPI-UHFFFAOYSA-N 430.327 3.600 0 40 IHAB CC[C@H](C(=O)NCCOc1cccc2ccccc12)N(c1ccc(F)cc1)S(C)(=O)=O 223545638 KCPQBRRRHQOEQN-OAQYLSRUSA-N 444.528 3.719 0 40 IHAB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1F 223731242 CMPNZPYEKOOWGT-FGZHOGPDSA-N 438.528 3.937 0 40 IHAB COc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3F)c2)c(OC)c1 224152796 GFMQHSVOZWRQPT-UHFFFAOYSA-N 444.484 3.920 0 40 IHAB COc1ccccc1[C@H](C)NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 224644990 QFQMHHYETCHBCB-KRWDZBQOSA-N 442.512 3.907 0 40 IHAB CSc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 224896316 LLAVAEPJYRGQJG-UHFFFAOYSA-N 434.461 3.566 0 40 IHAB Cc1cc(Cc2cccc(F)c2)cc([C@H]2CN(C(=O)c3cc(C)nc4ccnn34)CCO2)n1 257223928 DZOUIWVJMBNJPY-HSZRJFAPSA-N 445.498 3.685 0 40 IHAB COc1ccccc1OCCc1cc([C@H]2CN(Cc3ccc(F)cc3)CCO2)nn1C 257271274 MXPZANLQTCDTAH-XMMPIXPASA-N 425.504 3.763 0 40 IHAB CO[C@H]1CC[C@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)c2cc(N(C)C)nc(C)n2)CC1 257284732 PEALZLCONXYOIN-JLMWRMLUSA-N 435.572 3.938 0 40 IHAB COc1ccc(-c2ccc3c([C@H]4CN(Cc5ccc(C)s5)CCN4C)nnn3c2)cn1 306125005 CEHBTMQCUBMMKP-OAQYLSRUSA-N 434.569 3.659 0 40 IHAB Cc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1NC(=O)c1ccccc1 408626708 VYWOKFWEVLOFDA-UHFFFAOYSA-N 435.549 3.758 0 40 IHAB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)c1)Nc1cccc(Cl)c1 408672487 ZLCRTIPMTZPMDX-KDURUIRLSA-N 440.883 3.815 0 40 IHAB COc1ccc(Cl)cc1NC(=O)C1CCN(C(=O)c2c(OC)cccc2OC)CC1 409016458 TVCMUNAVLNFEFV-UHFFFAOYSA-N 432.904 3.857 0 40 IHAB Cc1cccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccccc3C)[C@@H]2c2ccc(Cl)cc2)c1 409061913 JYIPLLSJUOQTDN-LMOLPZMTSA-O 432.931 3.973 0 40 IHAB Cc1nc(/C=C/C(=O)N2CCC[C@@H](Cc3cc(Nc4nccs4)ncn3)C2)cs1 585290868 GOYLWQADNXJIOP-RGDDUWESSA-N 426.571 3.936 0 40 IHAB Cc1nc(C)c(C(=O)N2CCC[C@@]3(CCCCc4ccccc4OCCNC3=O)C2)s1 643560371 PFYAVRSSXVRGAJ-DEOSSOPVSA-N 441.597 3.904 0 40 IHAB O=S(=O)(NC[C@H](O)c1ccc(-c2cccs2)o1)c1ccc(Br)s1 1775966919 PABLKCBHOBMWKL-VIFPVBQESA-N 434.358 3.844 0 40 IHAB CN(c1ncccc1C(F)(F)F)[C@H]1CCCN(C(=O)c2cncc(Br)c2)C1 1889149376 CKKZURREOUYQLZ-AWEZNQCLSA-N 443.267 3.999 0 40 IHAB COc1cc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2cccc(C)c2C)cc(OC)c1OC 1295357 GUMBMIQMKLNXOO-HXUWFJFHSA-N 441.553 3.761 0 40 IHAB O=C(CSc1nnc(-c2cnccn2)n1Cc1ccco1)Nc1ccc(F)c(Cl)c1 2395976 FTKGWIBNWRZUJE-UHFFFAOYSA-N 444.879 3.900 0 40 IHAB COCC(=O)Nc1nc2n(n1)[C@H](c1ccc(OC)cc1)C[C@@H](c1ccc(Cl)cc1)N2 2422856 FLZSHEQGLFRKQL-ROUUACIJSA-N 427.892 3.671 0 40 IHAB COc1cc2c(cc1OC)-c1cc(Nc3ccc(Br)cc3)nc(=O)n1CC2 2449142 KTFTVRCEBOSNJP-UHFFFAOYSA-N 428.286 3.990 0 40 IHAB CCOCCCn1c(SCC(=O)N[C@@H](C)c2ccccc2)nc2ccccc2c1=O 2647574 KGSHEUMGGIJXHH-KRWDZBQOSA-N 425.554 3.793 0 40 IHAB COCCNc1nc(SCc2cc(=O)n3cc(Cl)ccc3n2)nc2ccccc12 2948621 VZAHEKXYJYKGKA-UHFFFAOYSA-N 427.917 3.642 0 40 IHAB CCOc1ccc(NC(=O)c2cc(S(=O)(=O)NCCc3ccccc3)ccc2F)cc1 3022830 QTKNBCLTLZUXSS-UHFFFAOYSA-N 442.512 3.998 0 40 IHAB O=C1NC(=S)NC(=O)C12[C@H](c1ccccc1Cl)CC(O)C[C@H]2c1ccccc1Cl 8856012 SLPDYKWWIFNZBN-GJZGRUSLSA-N 449.359 3.533 0 40 IHAB COc1cc(CN(C[C@H]2CCCO2)C(=O)COc2ccc(Cl)cc2)cc(OC)c1OC 8869925 FQNXTTHMONTCPJ-LJQANCHMSA-N 449.931 3.952 0 40 IHAB CCOc1ccc(NC(=O)C[C@H](CC2=NCCc3cc(OC)c(OC)cc32)C(=O)O)cc1 8876204 BUUDZFQRYMVMEN-INIZCTEOSA-N 440.496 3.567 0 40 IHAB biogenic Cc1ccc(CN(C(=O)c2cc(=O)c3cc(Cl)ccc3o2)[C@H]2CCS(=O)(=O)C2)cc1 8916323 FBZAHZOYPRAJER-KRWDZBQOSA-N 445.924 3.584 0 40 IHAB Cc1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(OC(=O)c4ccco4)cc3)CC2=O)cc1 8927289 NAXIBLFHKLKRKL-GOSISDBHSA-N 447.443 3.586 0 40 IHAB Cc1ccc(N(CC(=O)Nc2ccccc2C(=O)O)S(=O)(=O)c2ccc(C)cc2)cc1 8959059 ZRYJIDABJYTDJG-UHFFFAOYSA-N 438.505 3.836 0 40 IHAB O=C(CSc1nnc(-c2ccc(Cl)cc2)[nH]1)Nc1ccc(N2CCOCC2)cc1 9095851 JZUZHGXIRQHYDB-UHFFFAOYSA-N 429.933 3.693 0 40 IHAB O=C(c1ccc(OCc2cn3ccccc3n2)cc1)N1CCN(c2ccc(O)cc2)CC1 9201967 DRLGUPSDJGAVHD-UHFFFAOYSA-N 428.492 3.581 0 40 IHAB CCCCCn1nc(C(=O)OCC(=O)Nc2ccc3c(c2)CCC3)c2ccccc2c1=O 9442098 BPCACZAVTNJWRK-UHFFFAOYSA-N 433.508 3.871 0 40 IHAB CC(C)Cn1nc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)c2ccccc2c1=O 9594063 XPGJWSSQDXZSSW-CYBMUJFWSA-N 438.553 3.590 0 40 IHAB COC(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CC(C)(C)NC3(C)C)cc1 9639689 AUUXAQZDWNWSCS-UHFFFAOYSA-N 430.526 3.733 0 40 IHAB O=C(OCc1cc(=O)n2cc(Br)ccc2n1)c1nc(Cl)ccc1Cl 9645123 ANBOSJYIYOAGEC-UHFFFAOYSA-N 429.057 3.516 0 40 IHAB COc1ccc(CN(C)C(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1F 9715573 CJFSEROXCLLDQY-UHFFFAOYSA-N 428.485 3.907 0 40 IHAB COc1ccccc1-n1ccnc(SCC(=O)Nc2ccc(Br)cc2)c1=O 9761471 KOCGSTQRXWXOCY-UHFFFAOYSA-N 446.326 3.734 0 40 IHAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(OCc4ccccc4)cc3)C2=O)cc1 9981726 PKMANQGNLPOJOC-AREMUKBSSA-N 443.503 3.980 0 40 IHAB CC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)CCCc3ccccc3)CC2)c1 10008717 VPNKLDSSRQPTOI-UHFFFAOYSA-N 428.554 3.502 0 40 IHAB CCc1ccc(N2C(=O)N(CC(=O)N3CCCC[C@@H]3C)c3ccccc3S2(=O)=O)cc1 10272833 AKSINISPEJCBRI-KRWDZBQOSA-N 441.553 3.785 0 40 IHAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)Cn1c(C(F)(F)F)nc2ccccc21 11082692 YDNRGEIXDAKSAO-UHFFFAOYSA-N 427.430 3.959 0 40 IHAB COc1ccc(C(=O)NCC(=O)Nc2nc(-c3ccc(SC)cc3)cs2)cc1OC 11423134 DQJPSDWHQVMHTP-UHFFFAOYSA-N 443.550 3.918 0 40 IHAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnc(N2CCCCC2)n1Cc1ccco1 11484313 MGRCPPQEDJHOLA-QGZVFWFLSA-N 437.569 3.980 0 40 IHAB O=C(COC(=O)CCCc1nc2ccccc2s1)Nc1cccc(N2CCCC2=O)c1 11980327 WCTVGRGBQOBHJF-UHFFFAOYSA-N 437.521 3.928 0 40 IHAB COc1ccc(-c2cc(C(=O)NC(C)(C)CC(C)(C)C)nn2[C@@H]2CCS(=O)(=O)C2)cc1 11997036 LMUVPPNSHPLXQU-QGZVFWFLSA-N 447.601 3.863 0 40 IHAB O=S1(=O)N[C@H](C2CCN(Cc3ccccc3N3CCCCC3)CC2)Nc2ccccc21 12089493 YDHVETMHZIQPRM-XMMPIXPASA-N 440.613 3.619 0 40 IHAB Cc1ccc(-n2c(=O)c3oc4ccccc4c3n(CC(=O)N(C(C)C)C(C)C)c2=O)cc1 12140781 MCXORBGCULBZTI-UHFFFAOYSA-N 433.508 3.852 0 40 IHAB CCCOc1ccccc1CN1CCN(c2c(F)cccc2[C@@H](O)c2nccn2C)CC1 12143405 GZIRDQBFWYRUHD-XMMPIXPASA-N 438.547 3.752 0 40 IHAB O=C(CCn1c(S)nnc1-c1cccs1)NC[C@@H](c1ccccc1)N1CCCC1 12740300 XRQOMICNIUFQJP-KRWDZBQOSA-N 427.599 3.639 0 40 IHAB CCc1ccc(CN(C)C(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)cc1 12756689 AVIUIFABKCRNBR-UHFFFAOYSA-N 429.586 3.765 0 40 IHAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc4c(c3)Cc3ccccc3-4)C2=O)cc1 12795160 CEZVXQHIPPIOCI-SANMLTNESA-N 425.488 3.972 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1c(Cl)cccc1Cl 12796350 WTYUQJDLYJQNTR-UHFFFAOYSA-N 443.352 3.504 0 40 IHAB COc1cc(C(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)ccc1OC(F)F 13076000 HDPDXLJXCLDNIL-UHFFFAOYSA-N 428.317 3.852 0 40 IHAB Cn1c(CCC(=O)NC2CCCCCC2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 13119913 PYSQBFPDVJIRAC-UHFFFAOYSA-N 446.617 3.520 0 40 IHAB O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(F)(F)F)c1ccccc1 13141185 LGYLGNFDRIRWJC-UHFFFAOYSA-N 428.432 3.665 0 40 IHAB Nc1c(C(=O)N2CCN(c3ccccc3)CC2)sc2nc3cc4c(cc3cc12)OCCO4 13503457 BMNZROKYGILPKM-UHFFFAOYSA-N 446.532 3.765 0 40 IHAB COc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccccc4F)[nH]c(=O)c32)cc1OC 13567380 DYQVWNPWRDNJIW-CQSZACIVSA-N 441.484 3.693 0 40 IHAB COCCNc1nnc(SCC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)s1 14075807 RZVHXDBNSUAQAC-CYBMUJFWSA-N 449.583 3.721 0 40 IHAB O=C(N[C@H]1CCSc2c(F)cccc21)c1ccc(S(=O)(=O)N2CCCCC2)cc1 14237291 XKGSGBZTQLVOJW-IBGZPJMESA-N 434.558 3.967 0 40 IHAB Cc1ccc(Cl)cc1NC(=O)CN1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 15545953 BDCZCGVSPWVMRE-OAQYLSRUSA-N 427.932 3.867 0 40 IHAB Cc1ccn2c(=O)cc(COc3ccc(NC(=O)COc4ccc(F)cc4)cc3)nc2c1 15865481 LNWVLBSSHMCDIL-UHFFFAOYSA-N 433.439 3.739 0 40 IHAB CN(CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)Cc1nc2ccccc2c(=O)[nH]1 16555904 IBZPQKTYRVVQTA-UHFFFAOYSA-N 425.703 3.954 0 40 IHAB CCCNC(=O)[C@H](C)Sc1nnc(-c2ccc(OC)cc2)n1-c1ccc(OC)cc1 16865102 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442.523 3.532 0 40 IHAB Cc1nc([C@@H]2CCCCN2C(=O)c2cnn(C)c2)nc2c1CCCN2Cc1ccccc1 19706130 DVWFFZDRWIFINZ-QFIPXVFZSA-N 430.556 3.839 0 40 IHAB COc1cccc(CNc2cc(CC3CCN(C(=O)C(C)(C)OC)CC3)nc(C)n2)c1 19752156 MVMWEQFMPUDXMY-UHFFFAOYSA-N 426.561 3.612 0 40 IHAB O=C(C[C@H]1C(=O)N(Cc2cccnc2)c2nc3ccccc3n21)Nc1ccc(F)c(F)c1 19962126 UOZRNGOPVMSWNC-FQEVSTJZSA-N 433.418 3.826 0 40 IHAB CCOc1ccc(C(=O)NC(=S)Nc2cc(-c3ccc(CO)o3)ccc2OC)cc1 20152811 JHQDYRZHHPCEIZ-UHFFFAOYSA-N 426.494 3.973 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)N(C)C2CCCC2)c2ccc(C)cc2)cc1OC 20491631 SCJPQTMWUXZRBS-UHFFFAOYSA-N 446.569 3.609 0 40 IHAB O=C(CCc1ccccc1)N(CCN1CCOCC1)c1nc2c(F)cc(F)cc2s1 20743545 DULGGUJDBOJYLW-UHFFFAOYSA-N 431.508 3.873 0 40 IHAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 22383991 HYYBLYFSSBAMIA-CQSZACIVSA-N 447.944 3.795 0 40 IHAB COc1ccc(CN(C)C(=O)CN(c2ccccc2F)S(=O)(=O)c2cccs2)cc1 22400476 FSIJZLONAHRLKL-UHFFFAOYSA-N 448.541 3.750 0 40 IHAB C[C@@H](NC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)c1ccc(F)cc1 22536646 PQHLEDBSXQRPJI-MRXNPFEDSA-N 434.533 3.693 0 40 IHAB Cc1nc2sc([C@H](c3ccccc3F)N3CCN(c4ccc(F)cc4)CC3)c(O)n2n1 22627225 XCVNCCLGDYWGEG-IBGZPJMESA-N 441.507 3.995 0 40 IHAB Cc1cccc(C)c1NC(=O)CN1CCN(CCC(=O)Nc2ccc(Cl)cc2F)CC1 22934413 CLNGSGWEGWYTRL-UHFFFAOYSA-N 446.954 3.681 0 40 IHAB C[C@H]1CN(C(=O)c2ccccc2NS(=O)(=O)c2cccc(C(F)(F)F)c2)C[C@H](C)O1 23078019 FHHOTDULSLQPJB-KBPBESRZSA-N 442.459 3.756 0 40 IHAB O=C(CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Nc1nccs1 23352783 JXKFPTJRFJIVEN-UHFFFAOYSA-N 428.508 3.767 0 40 IHAB Cc1ccc(CSCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1 24607034 UQVRNQBIDBJPPI-GOSISDBHSA-N 438.640 3.507 0 40 IHAB CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCc1ccc(Cn2ccnc2)cc1 24748992 ZCMFUKFTIJDTLY-ICSVULDUSA-N 448.611 3.905 0 40 IHAB COc1ccc([C@@H]2CCCN2C(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1OC 25612367 SLBCGRVGLXZRNB-YZOPDKEQSA-N 426.557 3.700 0 40 IHAB O=C(NCCCSc1ccccc1)c1ccc(S(=O)(=O)Nc2ccncc2)cc1 28974758 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COc1ccc(CNC(=O)c2nnn(-c3ccccc3Cl)c2-c2cccnc2)cc1OC 38487680 IPGOBBMXLCUQNP-UHFFFAOYSA-N 449.898 3.930 0 40 IHAB Cc1cc2nn(CC(=O)Nc3cccc(C)c3C)c(=O)n2c(Nc2ccc(C)c(F)c2)n1 49410745 BRUQQQYOSALEEY-UHFFFAOYSA-N 434.475 3.646 0 40 IHAB CCCC[C@@H](c1nnnn1C[C@H]1CCCO1)N1CCN(c2cc(Cl)ccc2C)CC1 57670425 OGUBPMJTJBZRDL-UXHICEINSA-N 433.000 3.867 0 40 IHAB Cn1cc([C@@H]2C[C@H]2C(=O)Nc2cc(C(F)(F)F)ccc2I)cn1 60322914 JYEBETUHGDTHQT-WDEREUQCSA-N 435.187 3.786 0 40 IHAB Cc1ccc(-c2noc(-c3oc4ccc(S(=O)(=O)N5CCOCC5)cc4c3C)n2)cc1 64948497 ORTGPXIBGUDCBD-UHFFFAOYSA-N 439.493 3.788 0 40 IHAB Cc1ccc2c(c1)N(C(=O)CSc1nc3cc(C)[nH]c3c(=O)n1CCC(C)C)CCO2 67238141 KSOLAPRFLQJDHD-UHFFFAOYSA-N 440.569 3.905 0 40 IHAB CCCCc1noc(CN2CCC([C@@H]3CCCCCN3C(=O)C3CCOCC3)CC2)n1 69952255 DUHABXKPSVQSOG-NRFANRHFSA-N 432.609 3.822 0 40 IHAB CCn1cc(CN2CCC[C@@H](c3cc(-c4ccc(C(=O)NC)nc4)cc(C)n3)C2)c(C)n1 72353684 SBIMAOQKEDNGIV-HXUWFJFHSA-N 432.572 3.716 0 40 IHAB COc1cc2c(cc1OC)CN(C(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1)CC2 84240498 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IHAB Cc1cc(C)cc(OCCNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c1 224065821 SVERLTKJKHNTFJ-UHFFFAOYSA-N 445.368 3.571 0 40 IHAB COc1cccc(CN(C(=O)COc2cc(C)ccc2C)[C@@H](C)C(=O)NCC(C)C)c1 224444733 VHTCBFOGAROAJY-FQEVSTJZSA-N 426.557 3.880 0 40 IHAB CCOC(=O)CN(c1ccc(Br)c(C)c1)S(=O)(=O)c1ccc(OC)cc1 224861076 XWWHKVVVDRYYNQ-UHFFFAOYSA-N 442.331 3.525 0 40 IHAB COc1ccc(CCC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)C)cc1OC 225695860 HAFZNAZGCQZGPG-LJQANCHMSA-N 426.557 3.621 0 40 IHAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2OC)cc1C(=O)N1CCC(C)CC1 225850515 VABIIIVBTMCZSA-KRWDZBQOSA-N 446.569 3.615 0 40 IHAB C[C@@H]1CN(C(=S)S[C@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)C[C@@H](C)O1 227003496 ODOLBJNOHBQOGW-RULNRJAQSA-N 433.382 3.753 0 40 IHAB Cc1cc(-c2cnc(N3CCC[C@@H](C)C3)nc2C2CCN(C(=O)[C@H]3CCCO3)CC2)on1 253600760 YULLLTOZTHMWHI-OXQOHEQNSA-N 439.560 3.561 0 40 IHAB C[C@]1(O)CCN(CC(=O)Nc2cccc(C(F)(F)F)c2)C[C@@H]1Oc1cccc(F)c1 257272016 NATCRKPMESPVJJ-ICSRJNTNSA-N 426.410 3.687 0 40 IHAB COc1ccc2c(c1)OC(C)(C)[C@@H]1C[C@H]3CN(C(=O)CCCc4cn[nH]c4)CC[C@H]3O[C@@H]21 257295757 QZRYIUSAQGBRNW-VDEVERMRSA-N 439.556 3.907 0 40 IHAB O=C(c1ccccc1CN1CCOCC1)N1CCC[C@H](Cc2cccc3nccn23)CC1 257298639 RMRQMBTYVCHTJT-NRFANRHFSA-N 432.568 3.652 0 40 IHAB CSc1cccc(NC(=O)COc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)c1 408617953 FFRMBDSTMOAUQQ-UHFFFAOYSA-N 434.583 3.847 0 40 IHAB C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408704053 JDTYSIRPCSBWOD-LLVKDONJSA-N 445.324 3.558 0 40 IHAB O=C(O)CN1C(=O)S/C(=C/c2ccc(OCc3cccc(C(=O)O)c3)c(Cl)c2)C1=O 409140349 DTICRLFXWAGHGZ-LZYBPNLTSA-N 447.852 3.738 0 40 IHAB COCCN1C(=O)S/C(=C/c2ccccc2OCC(=O)Nc2ccc(C)cc2)C1=O 409142289 XTGRMASDELHEDG-CPNJWEJPSA-N 426.494 3.695 0 40 IHAB CC(=O)Oc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 409152206 JJHZTNAGIGXTKV-LICLKQGHSA-N 430.869 3.940 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CCc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1 409256841 NSSZUFMSSSJLQW-UHFFFAOYSA-N 432.542 3.511 0 40 IHAB CN(Cc1ccccc1N1CCCC1)C(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 604022144 KOMIGGLCWBJAAG-UHFFFAOYSA-N 432.973 3.905 0 40 IHAB CCn1nc(C(=O)N2CCC[C@]3(CCCCCOc4ccccc4C(=O)NC3)C2)cc1C 643559464 JCTCHKIFFPWZOY-VWLOTQADSA-N 438.572 3.817 0 40 IHAB CC1CCC(C(=O)N[C@H](CCCCCCCCCN)C(=O)NC[C@@H]2CCCCN2)CC1 1505840645 KRTXFNZZPYQKII-ZSTXGWIISA-N 436.685 3.635 0 40 IHAB Cc1nc(CC(F)(F)F)sc1CC(=O)NCCC1(O)CCN(c2ccccc2)CC1 1615610495 JLEYJSYDEJVNBN-UHFFFAOYSA-N 441.519 3.637 0 40 IHAB C[C@@]1(Cc2ccc(F)cc2)CCCN1C(=O)CCNS(=O)(=O)/C=C/c1ccccc1 1639482714 ALWRSELKKNPFRC-ILAWTMEDSA-N 430.545 3.730 0 40 IHAB CCOC(=O)CSc1nnc(CSc2nc(C)cc(C)n2)n1-c1ccc(OC)cc1 883018 GMSSAQPWZJZQRJ-UHFFFAOYSA-N 445.570 3.630 0 40 IHAB COc1ccc(NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@@H](C(C)(C)C)C4)cc1 1321046 KQDVTKGVWJCKNK-CYBMUJFWSA-N 426.542 3.651 0 40 IHAB Cn1c(=O)c2c3c(sc2n2c(SCC(=O)c4ccc(Cl)cc4)nnc12)CCC3 2260633 FWVDAOQJFNOWPF-UHFFFAOYSA-N 430.942 3.760 0 40 IHAB COC(=O)c1c(NC(=O)COC(=O)c2cc3ccccc3cc2O)sc2c1CCC2 3253682 UXCBEWKNINKKRG-UHFFFAOYSA-N 425.462 3.678 0 40 IHAB Cc1cc(=O)oc2cc(OC(=O)c3cccc(S(=O)(=O)N4CCCCCC4)c3)ccc12 3566535 IGEKAOBTFPORLB-UHFFFAOYSA-N 441.505 3.885 0 40 IHAB COC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(O)cc2)nc1C 3643258 WBICGZOLAKOTJL-QGZVFWFLSA-N 448.456 3.800 0 40 IHAB Cc1ccc(-n2ncc3c(Nc4c(C)n(C)n(-c5ccccc5)c4=O)ncnc32)c(C)c1 4435386 PYJYFJIKAOGHGV-UHFFFAOYSA-N 425.496 3.974 0 40 IHAB CCOc1nc2ccc(N[C@H](C)C(=O)N3CCN(CCc4ccccc4)CC3)cc2s1 8659517 FNVSCVMKGPBTQH-GOSISDBHSA-N 438.597 3.882 0 40 IHAB O=C(Nc1nc2c(s1)CCC[C@@H]2C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 9071671 ZNPVUMVFOCZXAP-INIZCTEOSA-N 435.505 3.860 0 40 IHAB COc1ccc(NC(=O)Cc2nnc(SCCOc3ccc(Cl)cc3)n2C)cc1 9263752 QNODKIHFNKZROM-UHFFFAOYSA-N 432.933 3.829 0 40 IHAB CCOc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccccc4Cl)ccn3n2)cc1 9321210 CAQNYTAJYHLBSK-UHFFFAOYSA-N 436.899 3.532 0 40 IHAB O=C(/C=C/c1ccc(Cl)cc1)Nc1nnc(S(=O)(=O)Cc2ccc(F)cc2)s1 9341319 JCBLAQDTDSAIBQ-BJMVGYQFSA-N 437.905 3.956 0 40 IHAB CC[C@@H](Sc1nc2nccnc2c(=O)n1Cc1ccccc1)C(=O)Nc1ccc(F)cc1 9405113 FNEZHRYIHDYYTC-GOSISDBHSA-N 449.511 3.883 0 40 IHAB COc1ccc(-c2nnc3ccc(SCC(=O)N4CCCc5ccccc54)nn23)cc1 9415132 RZMXEOLGLYYOKK-UHFFFAOYSA-N 431.521 3.871 0 40 IHAB O=C(Cn1c2c(sc1=O)[C@H]1c3ccccc3OC[C@H]1CS2)Nc1ccc(F)cc1 9429794 PHMLDPRJGXQWCB-KPZWWZAWSA-N 428.510 3.934 0 40 IHAB O=S(=O)(NCc1ccco1)c1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1 9631019 BLFGHNKBAPFMRA-UHFFFAOYSA-N 442.518 3.712 0 40 IHAB CC(=O)C[C@@]1(O)C(=O)N(CCOc2ccccc2Cl)c2ccc(Br)cc21 10434504 GJUXROHLYOUHSK-IBGZPJMESA-N 438.705 3.695 0 40 IHAB COc1cc(NC(=O)[C@H](NC(=O)c2ccccc2)c2ccccc2)ccc1N1CCCC1=O 11447277 LNVZOEMPYNHIGF-XMMPIXPASA-N 443.503 3.932 0 40 IHAB Cc1cccc(C(=O)OCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c1O 11711900 SUVGGVBSBBZVQJ-QGZVFWFLSA-N 432.476 3.987 0 40 IHAB C[C@H]1CN(c2ncc3c(n2)CC(C)(C)C[C@@H]3NC(=O)Cc2ccccc2F)C[C@@H](C)O1 12240929 DODNRGHIBGJGBQ-YRNRMSPPSA-N 426.536 3.602 0 40 IHAB CCOC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccccc1Br 12412790 VYDLOZBTNDMRLA-HNNXBMFYSA-N 442.265 3.813 0 40 IHAB biogenic,in-vitro CCOc1cc(/C=C2\N=C(c3ccccc3Cl)OC2=O)ccc1OCC(=O)N(C)C 12755129 VWPYDNIYAYXZGR-BOPFTXTBSA-N 428.872 3.550 0 40 IHAB CN(CC(=O)Nc1ccc(I)cc1)Cc1nc2ccccc2s1 12866383 YJANSJYZCGCPMH-UHFFFAOYSA-N 437.306 3.971 0 40 IHAB Cc1cc(Br)ccc1NC(=O)CN(C)CCC(=O)Nc1ccc(F)c(F)c1 12873033 IJCDJZZDLCLKBQ-UHFFFAOYSA-N 440.288 3.935 0 40 IHAB COc1cc(CN(C2CC2)S(=O)(=O)c2cccc(C(C)=O)c2)ccc1OC(F)F 12917105 LPCOCAVSUAQBPP-UHFFFAOYSA-N 425.453 3.853 0 40 IHAB COc1ccc2cc([C@@H](C)C(=O)N3CCc4cc(S(=O)(=O)N(C)C)ccc43)ccc2c1 12934844 BNERVIVWZDHUQL-MRXNPFEDSA-N 438.549 3.792 0 40 IHAB Cc1cc(N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)nc(C(C)C)n1 12973678 KNSDVMBFUPBTIJ-UHFFFAOYSA-N 429.373 3.726 0 40 IHAB Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)CN(C)Cc2ccc3ccccc3c2)c1C 12993885 QIWBTCUNDSTLJW-UHFFFAOYSA-N 439.581 3.777 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(Br)cc3)C2)s1 13003139 HGLHBDWJLGKBST-CYBMUJFWSA-N 443.388 3.858 0 40 IHAB Cc1nc2ccc(NC(=O)c3cccc(S(=O)(=O)NCc4ccco4)c3)cc2s1 13072922 BKRGOUWCZIWCMS-UHFFFAOYSA-N 427.507 3.929 0 40 IHAB COc1cccc(CNC(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)c1 13115738 FAYUCKGSIVKZLF-UHFFFAOYSA-N 436.533 3.767 0 40 IHAB CC[C@@H](C(=O)NCCSc1ccccc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714304 AVVXIQWFXVICIF-SFHVURJKSA-N 426.991 3.793 0 40 IHAB O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(Cl)cc1N1CCCC1=O 14129012 KKXWISHFULYZEF-UHFFFAOYSA-N 447.944 3.504 0 40 IHAB CC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3cc(C)cc(C)c3)co2)s1 16047716 NARSAGIWTALLEX-UHFFFAOYSA-N 431.495 3.578 0 40 IHAB CCOC(=O)[C@@H]1CCCN([C@@H](c2ccccc2F)c2sc3nc(CC)nn3c2O)C1 16690069 NLKZKYUGBOKYPW-DYVFJYSZSA-N 432.521 3.562 0 40 IHAB Cn1c(SCC(=O)Nc2ccc(F)cc2F)nc2c(-c3ccccc3)c[nH]c2c1=O 16840929 CCSJNQVKRSUJHK-UHFFFAOYSA-N 426.448 3.938 0 40 IHAB COc1ccccc1-n1ncc2c(O)nc(SCC(=O)Nc3ccc(C)cc3C)nc21 17025823 CCPIIBOCLMSILQ-UHFFFAOYSA-N 435.509 3.877 0 40 IHAB CCCCCN1C(=O)NC(=O)[C@]2(Cc3cc4cc(C)ccc4nc3N3CCCC[C@@H]32)C1=O 18168746 KMGLCUSCTIDFPJ-CJFMBICVSA-N 434.540 3.713 0 40 IHAB Cc1c(-n2nnnc2SCc2cccc3ccccc23)c(=O)n(-c2ccccc2)n1C 18350341 FGMFDQLIEMSKAJ-UHFFFAOYSA-N 428.521 3.906 0 40 IHAB NC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN(Cc2ccc3c(c2)OCCO3)C1 19348348 ISNWQHNJOWGZFI-HHHXNRCGSA-N 443.547 3.830 0 40 IHAB CCc1nnsc1C(=O)N1CCC[C@H]1c1nc(N(C)C)ncc1-c1cccc(OC)c1 19689838 OISLGCRVJBWLQF-SFHVURJKSA-N 438.557 3.609 0 40 IHAB Cc1nc(C2CCN(C(=O)C[C@@H]3CCCCO3)CC2)nc2c1CCCN2Cc1ccccn1 19705673 QUNUYXLUICYSTP-QFIPXVFZSA-N 449.599 3.798 0 40 IHAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)C2=Cc3cc(Cl)cc(OC)c3OC=C2)c1 19809947 FDJBUBPELSSZGM-UHFFFAOYSA-N 443.839 3.850 0 40 IHAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1cc(S(=O)(=O)NC(C)C)ccc1OC 20050428 NCQGHCMRRGVLCW-QGZVFWFLSA-N 440.949 3.831 0 40 IHAB COC(=O)c1ccccc1NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(F)c(F)c1F 20723365 KDYMEOQJWUJJFT-IBGZPJMESA-N 430.386 3.793 0 40 IHAB COc1ccccc1CN(C)C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 22515841 OVYOICMDVFIDAE-UHFFFAOYSA-N 436.961 3.795 0 40 IHAB Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 22539510 MRTXNBJYLBJLNE-MBSDFSHPSA-N 440.540 3.901 0 40 IHAB O=C1C(=O)N(CN2CCCC[C@H]2c2nc3ccccc3s2)C(=O)N1Cc1ccccc1 23856104 ZZWVZQYOXOENSQ-SFHVURJKSA-N 434.521 3.772 0 40 IHAB O=C(CSCc1cc(=O)n2ccsc2n1)NCCSc1ccc(Cl)cc1 26073862 OWBOWVBWPTUSTM-UHFFFAOYSA-N 425.988 3.551 0 40 IHAB Cc1noc(C)c1CSc1ncccc1C(=O)N1CCN(CCc2ccccc2)CC1 28692061 GNTGUKAUZDKTRR-UHFFFAOYSA-N 436.581 3.979 0 40 IHAB COc1ccc(-c2nc(C(=O)N3CCC[C@@H]3c3nnc4ccccn34)cs2)cc1OC 29077340 HEHFNYZQPQYJQA-MRXNPFEDSA-N 435.509 3.847 0 40 IHAB Cn1c(=O)c2c(-c3ccc(Br)cc3)cc(-c3cccs3)nc2n(C)c1=O 32655431 FECIGLXSWPJFQT-UHFFFAOYSA-N 428.311 3.790 0 40 IHAB Cc1ccc(-c2noc(-c3ccc(=O)n(CC(=O)NCc4ccccc4Cl)c3)n2)cc1 33170494 RSVKHPDDJWEBPR-UHFFFAOYSA-N 434.883 3.844 0 40 IHAB Cc1nc2c(-c3ccccc3)nc(SCC(=O)Nc3ccc(C(N)=O)cc3)nc2s1 35682694 STWMVWALLVHUBD-UHFFFAOYSA-N 435.534 3.891 0 40 IHAB CN(Cc1c(F)cccc1Cl)C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 36811831 ZMZBNYIAWYXBKM-UHFFFAOYSA-N 438.952 3.855 0 40 IHAB COc1ccc(-c2nnn(C[C@H](O)COc3ccc(Oc4ccccc4)cc3)n2)cc1OC 40059520 NRSGQLHDJQBAHI-SFHVURJKSA-N 448.479 3.590 0 40 IHAB CCOc1ccc(-n2ccn3c(SCC(=O)Nc4ccc(CC)cc4)nnc3c2=O)cc1 46047808 OXPGXCYVSWAHSB-UHFFFAOYSA-N 449.536 3.572 0 40 IHAB CCOC(=O)c1ccc(Oc2coc3c4c(ccc3c2=O)OCN(CCOC)C4)cc1 57172565 VDENTSPBHMEHAC-UHFFFAOYSA-N 425.437 3.560 0 40 IHAB O=C(NCc1cccnc1N1CCCCC1)Nc1cc2c(cc1Br)OCCO2 58060454 RIMMCDYMNPSBQU-UHFFFAOYSA-N 447.333 3.927 0 40 IHAB Cc1ccc(C(=O)NCC(=O)Nc2cc(-c3ccccc3Br)n[nH]2)cc1C 58115275 PVXFKPDYARLIOV-UHFFFAOYSA-N 427.302 3.825 0 40 IHAB Cc1nc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccs2)sc1Cc1ccc(F)cc1 64859684 CLOQFJVPLSSKOC-GFCCVEGCSA-N 439.559 3.548 0 40 IHAB COc1ccc(CN2CCC(CNC(=O)c3ccc(OC4CSC4)cc3)CC2)cc1 72347499 BSTHKCOCPJHZFU-UHFFFAOYSA-N 426.582 3.831 0 40 IHAB COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2nnc(C3CC3)s2)C12CCCCC2 72401849 OOPLARIIEJRORT-GOSISDBHSA-N 440.569 3.943 0 40 IHAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(C(=O)c2cnn3ccccc23)CC1 77101279 NDSMEYVKNMTLOB-UHFFFAOYSA-N 449.898 3.549 0 40 IHAB COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccn4cncc4c3)ccc2C)cc1 84190106 DKBIIGDABUVDFH-UHFFFAOYSA-N 436.493 3.704 0 40 IHAB Cc1cc(C(=O)N2CCC[C@H](C(=O)Nc3ccccn3)C2)nc(-c2ccc(Cl)cc2)n1 89600648 FVBRFYFVFZYADG-KRWDZBQOSA-N 435.915 3.991 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)oc4cc(C)c(C)cc34)CC2)c(C)c1 89614406 SUCPTYKBKXQKCA-UHFFFAOYSA-N 440.565 3.533 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)c2ccc(C)cc2)cc1 100217894 RNDFWOFEROWYIU-PWHSHALESA-N 442.581 3.894 0 40 IHAB C[C@H]1CC[C@@H]2N(C1)C[C@@H]1[C@H](CC[C@H]3[C@@H]4CC(=O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4C[C@H]31)[C@]2(C)O 100230633 IQDIERHFZVCNRZ-QQRSJXMNSA-N 429.645 3.886 0 40 IHAB O=C1[C@H]2ON=C(c3ccc(Br)cc3)[C@H]2C(=O)N1c1ccccc1C(F)(F)F 100880453 RYWKVBRCRCUFRT-HIFRSBDPSA-N 439.187 3.760 0 40 IHAB CCOC(=O)c1c(C)oc2nc(COC(=O)C34C[C@H]5C[C@@H](CC(Cl)(C5)C3)C4)nc(N)c12 102594423 JOAIOEAAJMBHGH-JXKJVBJKSA-N 447.919 3.911 0 40 IHAB Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 108949192 KMRDZLINXDFEJP-UHFFFAOYSA-N 430.448 3.718 0 40 IHAB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc4c(c3)OCO4)C2=O)cc1Cl 108985783 LZKARQNQKURTGR-REZTVBANSA-N 446.868 3.752 0 40 IHAB O=C(N[C@H]1C[C@@H]2CC[C@@H]1C2)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 113639293 SBIRLPHORIIKDG-MUKKUYKPSA-N 445.412 3.840 0 40 IHAB C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1)c1ccc(F)cc1 113971891 WQGGUJIVLRNUAB-QAPCUYQASA-N 438.952 3.898 0 40 IHAB CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)c1ccccc1)c1ccc(F)cc1F 220093512 LONLYBWUXMDWRH-UHFFFAOYSA-N 444.459 3.601 0 40 IHAB CC[C@@H](C(=O)NCCCc1cccc(OC)c1)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220576000 YUHLHLOOKKOAFW-QFIPXVFZSA-N 432.586 3.606 0 40 IHAB Cc1cc(Cl)ccc1N(CC(=O)NCc1cccc(C(F)(F)F)c1)S(C)(=O)=O 222607297 GPCLOYCUQLQGDH-UHFFFAOYSA-N 434.867 3.750 0 40 IHAB CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)COc1ccc(Br)cc1 222999021 UBWVIMLPVMYETR-LJQANCHMSA-N 433.346 3.690 0 40 IHAB COc1ccc([C@@H](C)NC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)cc1 223068134 HKJWVQCIPWFKDX-QGZVFWFLSA-N 436.533 3.938 0 40 IHAB COc1ccc(OC)c([C@H](C)NC(=O)CCCN(c2cccc(C)c2C)S(C)(=O)=O)c1 223318553 PJNLQZBEUFBSAZ-SFHVURJKSA-N 448.585 3.744 0 40 IHAB COc1ccc(C)cc1N([C@@H](C)C(=O)N[C@@H](C)c1cc(C)c(C)cc1C)S(C)(=O)=O 223480130 AHGSWWPJRYMMDR-OALUTQOASA-N 432.586 3.961 0 40 IHAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)C1 224256826 XNCIXAYIAGDCQC-WOJBJXKFSA-N 443.613 3.610 0 40 IHAB C[C@H](CNC(=O)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1)c1ccccc1 224385691 YMGHHOWLRDRYRH-NFBKMPQASA-N 428.598 3.581 0 40 IHAB CCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc(OC)cc1 224518531 LYVHJKVHZIHBPQ-QFIPXVFZSA-N 444.597 3.881 0 40 IHAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(CS(=O)(=O)N2CCCC2)cc1 224886771 XZKNIASVRZMXBZ-UHFFFAOYSA-N 428.432 3.763 0 40 IHAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccc2c(c1)OCO2 225520220 ITKSCOHAIUZJQZ-HSZRJFAPSA-N 444.531 3.734 0 40 IHAB CCCn1c(=O)sc2cc(S(=O)(=O)N[C@H](C)c3cc(OC)ccc3OC)ccc21 225737050 KZZFNDKSPMZVMQ-CYBMUJFWSA-N 436.555 3.530 0 40 IHAB Cc1nc2c(c(N3CCC(NC(=O)c4cnn(-c5ccccc5)c4C)CC3)n1)CCCC2 238914064 SKCZDYFFYNRLDW-UHFFFAOYSA-N 430.556 3.557 0 40 IHAB COc1cccc2cc(CN3CC[C@@H](c4nc(N(C)C)ncc4-c4cncnc4)C3)oc12 257211413 BYTYBYOAXVRFKM-QGZVFWFLSA-N 430.512 3.744 0 40 IHAB Cc1cc(OCC(=O)N2CC[C@H](O)[C@@H](Oc3ccccc3F)CC2)c2cccc(C)c2n1 257227790 FQWPZNUJGUQNPC-UNMCSNQZSA-N 438.499 3.800 0 40 IHAB O=C(CN1CCC(Cc2cc(Nc3nccs3)ncn2)CC1)Nc1ccccc1F 257249067 JGOKNJQWQUHAHB-UHFFFAOYSA-N 426.521 3.709 0 40 IHAB O=C(Nc1ccc(OC(F)(F)F)cc1)[C@]12C[C@H]1CN(c1ccc(Cl)cc1)S2(=O)=O 260828858 DLIKUADNMYGPOW-GTNSWQLSSA-N 446.834 3.786 0 40 IHAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 260935028 OEFSVYIZBTZIIC-UZUQRXQVSA-N 444.597 3.996 0 40 IHAB Cc1ccc(CN2C[C@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccccc2)C3=O)s1 306123354 AKWSGNDEJDIKAF-NOZRDPDXSA-N 433.577 3.849 0 40 IHAB CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 408550561 DJUMRZYQUYDMEF-ZDUSSCGKSA-N 430.448 3.800 0 40 IHAB CCCCOC(=O)c1cccc(NC(=O)CCC(=O)OCC(=O)Nc2ccccc2C)c1 408663748 OOYUALZJZNDPFR-UHFFFAOYSA-N 440.496 3.853 0 40 IHAB Cc1cccc(C(=O)N[C@H](C)c2nnc(SCC(=O)N[C@H](C)c3ccccc3)n2C)c1 409141777 IYJNDHPIFGSIMQ-IAGOWNOFSA-N 437.569 3.584 0 40 IHAB CCOC(=O)c1c(NC(=O)CSCC(=O)Nc2ccccc2)sc(C(C)=O)c1C 409155314 QTFOJZBHHWJPRX-UHFFFAOYSA-N 434.539 3.746 0 40 IHAB Cc1cccc(NC(=O)CSc2nnc([C@@H](NC(=O)c3ccccc3)C(C)C)n2C)c1 409162931 JRBOPVWLMZTAAZ-FQEVSTJZSA-N 437.569 3.981 0 40 IHAB COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(F)cc3)C2=O)ccc1Cl 409164666 LSLLKMVQDYPAKE-LZYBPNLTSA-N 448.859 3.941 0 40 IHAB CC(C)CCNC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 409315930 OZKHAGGVHWAWTJ-UHFFFAOYSA-N 439.375 3.807 0 40 IHAB CC(=O)N1CCc2ccc(S(=O)(=O)N3CC(C)(C)c4c(Cl)cccc43)cc2CC1 551109232 ZZYWDTUKYCPDHH-UHFFFAOYSA-N 432.973 3.774 0 40 IHAB O=C(N[C@@H]1CCCN(c2ccccc2F)C1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 677840611 RBOICKWDKXVUFM-MRXNPFEDSA-N 436.936 3.571 0 40 IHAB Cc1cnc(NC(=O)CN2CCC[C@@](O)(COc3cc(C)c(Cl)c(C)c3)CC2)s1 2037912227 ICADNYMKQYBDDW-NRFANRHFSA-N 437.993 3.956 0 40 IHAB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)Nc1cc(Cl)cc(Cl)c1 1289453 SKAKGMCTHFBABR-NSHDSACASA-N 425.243 3.667 0 40 IHAB CC(C)Cn1c(=O)c2ccccc2n2c(SCC(=O)N3[C@H](C)CCC[C@H]3C)nnc12 1331822 YABGGPBBEGZWDP-HZPDHXFCSA-N 427.574 3.582 0 40 IHAB COc1cc(C(=O)N2CCC[C@@H](c3nc(-c4cccs4)no3)C2)cc(OC)c1OC 1364496 DXNIUHGXUAEECR-CYBMUJFWSA-N 429.498 3.844 0 40 IHAB Cc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccccc3)N(Cc3ccccn3)C2=S)cc1 1442525 UAXHJAOXEATSGM-NRFANRHFSA-N 430.533 3.921 0 40 IHAB O=C(COc1ccc2c(C(F)(F)F)cc(=O)oc2c1)Nc1ccc(N2CCOCC2)cc1 2650049 XEIXIDUFOSGVGF-UHFFFAOYSA-N 448.397 3.666 0 40 IHAB O=S(=O)(c1ccc(OCc2ccc(Br)cc2)c(Cl)c1)N1CCOCC1 3251273 PERSKJBQBNHPDA-UHFFFAOYSA-N 446.750 3.702 0 40 IHAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccccc1Cc1ccccc1 3391993 RPCXTBTYAZYHEC-XMMPIXPASA-N 434.561 3.993 0 40 IHAB Cc1cc(Br)ccc1NC(=O)CNC(=O)CSc1ncnc2ccccc12 3490634 RPPCVTTUMCGIOR-UHFFFAOYSA-N 445.342 3.548 0 40 IHAB CCCCC(=O)NC(=S)Nc1ccc(N2CCN(C(=O)c3ccccc3C)CC2)cc1 4122819 GSTCMAGJCPWIHE-UHFFFAOYSA-N 438.597 3.961 0 40 IHAB COC(=O)c1sc(NC(=O)CSc2nc3cc4c(cc3cc2C)OCCO4)nc1C 6195100 GYYLDSBZUJNNMN-UHFFFAOYSA-N 445.522 3.597 0 40 IHAB COc1cc(C(C)=O)ccc1OCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 8229889 YZVLKFKRDXGCKE-LJQANCHMSA-N 425.481 3.802 0 40 IHAB O=C(CSc1nnc(CN2CCCC2)n1-c1ccccc1)NCc1ccc(Cl)cc1 8726152 CUAVHGDENXTNCX-UHFFFAOYSA-N 441.988 3.925 0 40 IHAB COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(F)c1 8810609 COBUWQMVKPNNRZ-SNVBAGLBSA-N 435.304 3.698 0 40 IHAB Cc1cc(C)c(S(=O)(=O)NC[C@H](c2cccnc2)S(=O)(=O)c2ccccc2)c(C)c1 9005294 VXYLLLUTOFFHSX-OAQYLSRUSA-N 444.578 3.500 0 40 IHAB Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(OCc3cn4ccccc4n3)cc2)cc1 9058064 AFLYKWOMRXZOBD-UHFFFAOYSA-N 428.492 3.932 0 40 IHAB COc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)cc1 9094882 KNVZWEOOVIKAAE-OAQYLSRUSA-N 444.940 3.877 0 40 IHAB COc1ccc([C@@H](CNC(=O)CNC(=O)c2sc3ccccc3c2Cl)N(C)C)cc1 9126045 JQLCHURVHRLVRY-QGZVFWFLSA-N 445.972 3.712 0 40 IHAB O=C(CN1c2cccc3cccc(c23)S1(=O)=O)NCCSc1ccc(Cl)cc1 9126146 WNVKUOYEMJZUGC-UHFFFAOYSA-N 432.954 3.910 0 40 IHAB CCn1c(SCC(=O)Nc2cc(NC(C)=O)ccc2OC)nnc1-c1ccc(C)cc1 9307390 PWIZTVVYYHVUMO-UHFFFAOYSA-N 439.541 3.971 0 40 IHAB O=c1c2cc(Br)ccc2ncn1Cc1cc2c(cc1Br)OCO2 9463231 ASPNRYRAYLTSJW-UHFFFAOYSA-N 438.075 3.699 0 40 IHAB CC(C)c1ccc([C@@H](NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C(C)C)cc1 9703559 AYSPSWMYGOJJPW-QHCPKHFHSA-N 444.597 3.958 0 40 IHAB O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)Nc1ccc(N2CCOCC2)cc1 9716545 BDTIKDCGVVXDOV-UHFFFAOYSA-N 446.532 3.600 0 40 IHAB CC(=O)Nc1ccc(NC(=O)CSc2nnc3ccc(-c4ccc(F)cc4)nn23)cc1 9829127 XCVTZTIJZBYAHY-UHFFFAOYSA-N 436.472 3.620 0 40 IHAB CN(C)Cc1ccccc1CNC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 9917520 NBIDVGDVTMVWJD-UHFFFAOYSA-N 441.528 3.618 0 40 IHAB O=C(NCCOCCONC(=O)Nc1ccccc1Cl)Nc1ccccc1Cl 9971415 IQFDQHBUOAIOOJ-UHFFFAOYSA-N 427.288 3.885 0 40 IHAB O=C(Nc1ccc(Br)cn1)c1nn(Cc2ccccc2)c(=O)c2ccccc12 9986859 FVQNZKHEQFXGLB-UHFFFAOYSA-N 435.281 3.855 0 40 IHAB O=c1c(Cl)cc(C(F)(F)F)cn1CCS(=O)(=O)c1ccc(Br)cc1 10538545 XVOIURKJMYEWFI-UHFFFAOYSA-N 444.656 3.757 0 40 IHAB COc1ccc(S(=O)(=O)NCc2ccc(OC(C)C)c(OC)c2)cc1Br 10543745 RHPYFCVZKJAOIF-UHFFFAOYSA-N 444.347 3.732 0 40 IHAB O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)Nc1ccccc1SC(F)F 11369755 SZAHNAYEMKCSMJ-UHFFFAOYSA-N 427.436 3.536 0 40 IHAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(-c3cccs3)cc(C(=O)NC3CCCC3)c12 11696203 AEQWERVTOOSHCD-OAHLLOKOSA-N 444.582 3.500 0 40 IHAB COc1ccc(CNC(=O)C2(C[C@H]3CC(c4ccc(F)cc4)=NO3)CCOCC2)cc1 12156605 BLVBFYGNQYTKJN-OAQYLSRUSA-N 426.488 3.831 0 40 IHAB Cc1ccc(-c2c(-c3cc(C)no3)cnn2CCNC(=O)Cc2cc(F)ccc2F)cn1 12223174 YWANFMANESPGFG-UHFFFAOYSA-N 437.450 3.854 0 40 IHAB COc1ccccc1N1CCN([C@@H](C(=O)O)c2c[nH]c3cc(Br)ccc23)CC1 12324165 DQRBNRZPINYZHN-HXUWFJFHSA-N 444.329 3.887 0 40 IHAB COc1ccccc1CCNC(=O)CCCn1nc(-c2ccc(Cl)cc2)ccc1=O 12440891 NKGIMWVCBQVMCC-UHFFFAOYSA-N 425.916 3.711 0 40 IHAB O=C(NCc1ccc(F)cc1)[C@@H](c1ccco1)N(C(=O)c1csnn1)c1ccccc1 12472070 IXBVUZGNARNIMO-HXUWFJFHSA-N 436.468 3.975 0 40 IHAB COc1ccc(-n2cnnc2SCC(=O)N2CCS[C@@H]2c2ccccc2F)cc1 12514675 CKVDWPSAJVLXDP-LJQANCHMSA-N 430.530 3.781 0 40 IHAB COc1ccc(COC[C@H](O)CSc2nc(N)c3c4c(sc3n2)CCCC4)cc1 12554884 VGXIRQQVYNKXIY-AWEZNQCLSA-N 431.583 3.831 0 40 IHAB O=C(Nc1ccncc1)c1cc(S(=O)(=O)N2CCc3ccccc3C2)ccc1Cl 12649274 IOWADMZPKXSLPK-UHFFFAOYSA-N 427.913 3.734 0 40 IHAB CCN(C(=O)CSc1nnnn1-c1ccc(OC(F)(F)F)cc1)C1=CCCCC1 12738631 PADQRXOEUKUWMC-UHFFFAOYSA-N 427.452 3.959 0 40 IHAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 12932597 OIBCNRKILKAZMA-GOSISDBHSA-N 429.567 3.640 0 40 IHAB CCCc1ccc(S(=O)(=O)N2CCN(c3ncnc4c3oc3ccccc34)CC2)cc1 13040033 HOQQIGGFHSBOPM-UHFFFAOYSA-N 436.537 3.839 0 40 IHAB C[C@H](Sc1nnc(NCc2ccco2)s1)C(=O)N1c2ccccc2NC(=O)C1(C)C 13121584 BGLDFACGXSKTPF-LBPRGKRZSA-N 443.554 3.988 0 40 IHAB CC(C)[C@@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccc2c(c1)OCCCO2 13163493 LPSKXJBTKGJUTQ-HSZRJFAPSA-N 444.553 3.650 0 40 IHAB C[C@@H](NCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1cccc2ccccc12 14141743 GXRQFDHUHNTKTD-GOSISDBHSA-N 437.565 3.914 0 40 IHAB C[C@@H](OC(=O)C1CCN(c2nc3ccccc3o2)CC1)C(=O)N1CCc2ccccc2C1 14147370 NEUQOSQXNPGGEC-QGZVFWFLSA-N 433.508 3.561 0 40 IHAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2)C1 14698313 XFLPUEWPKJQLLV-BETUJISGSA-N 441.347 3.961 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccco2)[C@H](C)c2ccccc2)cc1 16046147 DEHLZSKILFBRIU-GOSISDBHSA-N 442.537 3.747 0 40 IHAB CN(CC(=O)Nc1cccc(Br)c1)S(=O)(=O)c1ccc2ccccc2c1 16188353 AHHVWDDHKBETNG-UHFFFAOYSA-N 433.327 3.862 0 40 IHAB Cc1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 16846337 NZPFCWDUEARXKR-UHFFFAOYSA-N 441.578 3.820 0 40 IHAB COc1ccc(C)cc1CC(=O)NCCn1ncc(-c2ccc(F)cc2)c1-c1nccn1C 19133126 GQUGHJGIGCCZGD-UHFFFAOYSA-N 447.514 3.766 0 40 IHAB COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@H]3N3CCCN23)cc1 19171261 HTXFPJPGGJPTLZ-OTWHNJEPSA-N 432.307 3.538 0 40 IHAB COc1ccccc1C(=O)N1CCC[C@](Cc2ccccc2-c2cccnc2)(C(N)=O)C1 19568684 YAAFYXYUSPCQAF-AREMUKBSSA-N 429.520 3.708 0 40 IHAB COCCOc1ccc(C(=O)N2CCC[C@H]2c2nc(N(C)C)ncc2-c2ccncc2)cc1 19585305 RKBHQPGBACNVST-QFIPXVFZSA-N 447.539 3.607 0 40 IHAB COCCn1cc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@@]3(CCCC(=O)N3)C2)c2ccccc21 19594201 HPRCEFAQEPRDQH-BKMJKUGQSA-N 449.526 3.705 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(F)ccc2F)C1 20017453 LPOSGAJCJWFXOQ-LBPRGKRZSA-N 444.887 3.666 0 40 IHAB Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)N[C@@H]1CCCc2ccccc21 20021524 KOZXJVAAJMHLEL-OAQYLSRUSA-N 430.570 3.502 0 40 IHAB CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc3c(c2)OCO3)CC1 21576545 XIRJOUNIMXPSSB-UHFFFAOYSA-N 429.904 3.770 0 40 IHAB CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=S)NC(=O)c2ccccc2)CC1 21577394 BDWURAKQXOJAHD-UHFFFAOYSA-N 444.988 3.916 0 40 IHAB Cc1nc(SCC(=O)N2N=C(c3ccco3)C[C@@H]2c2cccs2)sc1CC(N)=O 22486864 RDKZZMPALCLDII-CYBMUJFWSA-N 446.579 3.604 0 40 IHAB COc1ccc(-n2ncc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)c2-n2cccc2)cc1 22515706 FOBUJKGYQKUBJV-UHFFFAOYSA-N 448.479 3.950 0 40 IHAB COc1ccc(NC(=O)Cn2nc(C3CC3)c3cnn(-c4cccc(Cl)c4)c3c2=O)cc1 22767947 IKYNSYATYBPSCK-UHFFFAOYSA-N 449.898 3.760 0 40 IHAB c1ccc(CCn2nnnc2CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 22929881 LHBXRKGXLKCKGP-UHFFFAOYSA-N 438.579 3.823 0 40 IHAB O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCN(Cc2ccccc2F)CC1)c1ccccc1 23441661 UPSOKTSOUDCJTK-VWLOTQADSA-N 445.538 3.511 0 40 IHAB O=c1cc(CN2CCN(c3cc(C(F)(F)F)nc4ccccc34)CC2)nc2sccn12 26137673 IBOVIDJJPDUQTN-UHFFFAOYSA-N 445.470 3.645 0 40 IHAB COc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)NC(C)C)cc3c2)cc1OC 28208875 FJEPEYJZALXVCI-UHFFFAOYSA-N 448.566 3.882 0 40 IHAB Cc1c(C(=O)OCC(=O)N(C)[C@H](C)c2ccccc2)cnn1-c1ccc(C(F)(F)F)cn1 29012934 VCXIKOCFMDDBBQ-CQSZACIVSA-N 446.429 3.971 0 40 IHAB CCOC(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2F)c(Br)c1 29940060 QOQWVJVMOXSXGT-NSHDSACASA-N 430.295 3.804 0 40 IHAB COc1ccc(C2=NN(C(=O)COc3c(C)cc(C)cc3C)[C@@](O)(C(F)(F)F)C2)cc1 32101031 AAMUAAWBQRMZOI-NRFANRHFSA-N 436.430 3.887 0 40 IHAB Cc1ccc([C@H](CC(=O)OC(C)C)NC(=O)C[C@H](NC(N)=O)c2cccc(C)c2)cc1 32456718 HKNYFMBVQXBIGC-SFTDATJTSA-N 425.529 3.602 0 40 IHAB CCc1ccc([C@@H](CNC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2ccco2)N(C)C)cc1 32734510 FJWCXDLZTIXRDF-BJKOFHAPSA-N 445.563 3.828 0 40 IHAB COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)N[C@@H](C)c1ccco1 32739459 YMZJKGGTWKFYGB-HNNXBMFYSA-N 426.494 3.531 0 40 IHAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)CSc2nccc(C(F)(F)F)n2)c1 32903204 CPNSDBVCRFKUBS-AWEZNQCLSA-N 427.448 3.968 0 40 IHAB C[C@H](NC(=O)CSCc1ccc(C(=O)N2CCCC2)cc1)c1ccc2c(c1)OCCO2 32907805 JJNVPYFHHKCXDC-KRWDZBQOSA-N 440.565 3.804 0 40 IHAB CCc1ccc([C@@H](C)NC(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cc1 32910435 YLWDNPXGXVXZRB-OAHLLOKOSA-N 433.537 3.641 0 40 IHAB COc1ccc(OC)c(CNC(=O)CCc2nnc3ccc(-c4ccc(C)c(C)c4)nn23)c1 33309573 ATAALEVNGRYIKO-UHFFFAOYSA-N 445.523 3.674 0 40 IHAB Cc1nc(NC(=O)c2cc(-n3cnnc3)ccc2Br)ccc1Br 35684153 UPUWDGPDTQICFE-UHFFFAOYSA-N 437.095 3.748 0 40 IHAB COc1ccc(CN(C)C(=O)c2ccccc2NS(=O)(=O)c2ccccc2)cc1OC 38752293 QTBXOSAWSMQUGY-UHFFFAOYSA-N 440.521 3.777 0 40 IHAB C[C@H](NC(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C)c1cc2ccccc2o1 40071976 SVFNMFFRZREGSX-LMKMVOKYSA-N 431.492 3.999 0 40 IHAB O=C(COc1coc(CN2CCSCC2)cc1=O)Nc1cc(Cl)cc(Cl)c1 40287060 AOHMCQXOEWANHU-UHFFFAOYSA-N 429.325 3.513 0 40 IHAB CC[C@H](NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1)c1ccc(C)cc1C 44856739 FGPCQQMGQFZVGT-FXAWDEMLSA-N 436.961 3.751 0 40 IHAB COc1ccc(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 59515906 CFWQHXXCVIBXHM-UHFFFAOYSA-N 438.549 3.876 0 40 IHAB COc1ccc([C@@H]2Nc3ccccc3C(=O)N2CCCC(=O)NCc2cccnc2)cc1 61721132 BPFGPDDISASNAL-XMMPIXPASA-N 430.508 3.753 0 40 IHAB COc1cc(/C=C/C(=O)N[C@@H](C)C(=O)O)cc(Br)c1OCc1ccc(C)cc1 62715529 BGJJUNBRJDPXBA-VFNNOXKTSA-N 448.313 3.948 0 40 IHAB Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)nnn1CC(=O)Nc1ccc2c(c1)OCO2 67322815 BAHVPQZILCAFFZ-UHFFFAOYSA-N 448.266 3.513 0 40 IHAB Cc1cccnc1Nc1ccc([C@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)nc1 72353443 ALVSISIYFHVTLF-KRWDZBQOSA-N 427.530 3.702 0 40 IHAB CNc1nc([C@@H]2CCCCN2C(=O)C(C)(C)c2ccc(OC)cc2)nc2c1CCN(C)C2 72376585 IRFHAKYOGCYMFE-NRFANRHFSA-N 437.588 3.546 0 40 IHAB O=C(N=c1[nH]c2ccccc2[nH]1)[C@@H]1c2ccccc2C(=O)N(C[C@H]2CCCO2)C12CCCC2 72401976 XZEKDILIYOACTD-VGSWGCGISA-N 444.535 3.655 0 40 IHAB CN1CCN(CC(=O)Nc2oc3ccc(Cl)cc3c(=O)c2-c2ccc(Cl)cc2)CC1 101396875 LZAYYMZPSXOOHM-UHFFFAOYSA-N 446.334 3.953 0 40 IHAB CC(C)C[C@H](C(=O)N[C@H](C)Cc1nc2ccccc2s1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 107135634 BQNWWMSIFUQHFF-VUHPKUFZSA-N 439.581 3.709 0 40 IHAB CC[C@H](C(=O)NCCSCc1ccccc1F)N(c1ccccc1F)S(C)(=O)=O 220602267 RUYDKTBKAFIVRG-GOSISDBHSA-N 442.553 3.559 0 40 IHAB CC[C@H](C(=O)Nc1ccc(F)cc1F)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 222494159 RXFOANLVKGZXDY-OAHLLOKOSA-N 432.876 3.810 0 40 IHAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(OC)cc1 222582132 XNMADZCQYWMZFB-DEOSSOPVSA-N 434.511 3.763 0 40 IHAB COC(=O)c1cn(C(=O)[C@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)c2ccccc12 222591943 UMBDGMVTJVBOCZ-INIZCTEOSA-N 428.510 3.540 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCCc1ccccc1)c1cccc(C(F)(F)F)c1 222624130 DDEIWSMBGMKEQR-UHFFFAOYSA-N 428.476 3.611 0 40 IHAB Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)NCc1cccc2ccccc12 222759212 DOQPKSPSMHWFRD-UHFFFAOYSA-N 440.565 3.778 0 40 IHAB C[C@@H]1Cc2ccccc2N1C(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl 222823813 CVMYPAJQKMMKHD-MRXNPFEDSA-N 448.972 3.871 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1NC(C)=O 223787277 JZOCSDSVCQYQRJ-UHFFFAOYSA-N 445.541 3.517 0 40 IHAB O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)NCCOc1ccc(Cl)cc1 224117782 MOLLEAMHBKULNH-UHFFFAOYSA-N 444.940 3.977 0 40 IHAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-n1cnnc1 224392638 BYQUPWOEYJIYPW-SFTDATJTSA-N 433.516 3.719 0 40 IHAB COc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)c1 224573474 PXPLDFJCNNZCCY-UHFFFAOYSA-N 426.494 3.822 0 40 IHAB O=C(NCC1CCN(S(=O)(=O)c2cccnc2)CC1)c1ccc(-c2ccsc2)cc1 225620885 ZTYMHMLYANSSBZ-UHFFFAOYSA-N 441.578 3.641 0 40 IHAB O=C(Nc1nnc(S(=O)(=O)N[C@@H]2CCCc3ccccc32)s1)c1ccc(Cl)cc1 225832334 JEAQBIWVQMQMMQ-MRXNPFEDSA-N 448.957 3.800 0 40 IHAB S=C(NCc1ccc(-c2ccccc2)o1)Nc1nc(Cl)cc(N2CCOCC2)n1 225919765 XCEFAEDRNMZRAK-UHFFFAOYSA-N 429.933 3.713 0 40 IHAB CCOc1cccc2c1OC(C)(C)[C@H]1C[C@H]3CN(C(=O)CCCC(=O)O)CC[C@@H]3O[C@H]21 257268212 MKSKFDRXMUFKQE-ABXWHYIOSA-N 431.529 3.806 0 40 IHAB O=C(c1sc2ncccc2c1[C@H]1CCN(C(=O)C2CCCCC2)C1)N1CCOCC1 257313141 UREISDJQQMYHDT-KRWDZBQOSA-N 427.570 3.665 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)COc3ccc(C)c(C)c3)C2)cc1 260890379 CVUBMZYKFVHIFE-SFTDATJTSA-N 444.597 3.596 0 40 IHAB CC(C)CC(=O)N1C[C@@H](c2ccnn2C(C)C)[C@@]2(CCCN(Cc3cccnc3)C2=O)C1 306131695 KNAPWMHAZHJGCT-SQJMNOBHSA-N 437.588 3.640 0 40 IHAB Cc1ccc(CSCCNC(=O)[C@@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 408548161 PYQVZRDXEVNILC-LJQANCHMSA-N 434.627 3.816 0 40 IHAB Cc1ccc(C)c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4C3=O)cc2)c1 408659212 MHRURBMEBZRTDU-PTRHGPIFSA-N 446.503 3.634 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCCSc1ccccc1)c1cccc(Cl)c1 408677296 CDPQNEIDEXIISC-UHFFFAOYSA-N 426.991 3.795 0 40 IHAB N=C1NC(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(Br)cc3)cc2)S1 408758507 LGXIJCOLNOMMFT-DHDCSXOGSA-N 432.299 3.605 0 40 IHAB Cc1cccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(F)cc3)[C@@H]2c2ccc(Cl)cc2)c1 409073786 TUNJUACKVGHJOB-NGTVUAHZSA-O 436.894 3.804 0 40 IHAB COc1cc(/C=C2/NC(=O)N(C)C2=O)c(Br)cc1OCc1cccc(C)c1 409187759 BOUXNOKIZFNNQR-LZYBPNLTSA-N 431.286 3.868 0 40 IHAB COc1cccc(-c2cc(C(=O)N3Cc4ccccc4[C@H](c4cnn(C)c4)C3)n(C)n2)c1 585410215 XQEPPFMIWLXVAK-QFIPXVFZSA-N 427.508 3.617 0 40 IHAB Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(Cc3ccn(-c4cccc(F)c4)n3)C2)cc1 585761333 BNCWTFPTWNGXCE-LJQANCHMSA-N 442.560 3.510 0 40 IHAB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(Br)cc3C)CC2=O)cc1 2648321 RJYRBAZTHJIKIY-HNNXBMFYSA-N 445.313 3.601 0 40 IHAB COc1ccc(C(=O)Nc2ccncc2Cl)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1C 32845149 DANJKKQBRZGUFL-CJNGLKHVSA-N 437.949 3.853 0 40 IHAB O=C(CN1CCCC1)Nc1ccc(-c2nc3cc(NC(=O)CN4CCCC4)ccc3o2)cc1 4197494 WDTMPUKELSWFII-UHFFFAOYSA-N 447.539 3.563 0 40 IHAB O=C(COc1ccc(Cl)cc1)OCc1cc(=O)n2nc(-c3cccs3)sc2n1 8605649 NQLAPADBSDOVCV-UHFFFAOYSA-N 433.898 3.655 0 40 IHAB aggregator Cc1sc2ncnc(SCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c2c1C 952958 SQIKBPWNFAZIKL-UHFFFAOYSA-N 439.566 3.837 0 40 IHAB Cc1ccccc1[C@@H](OC[C@H](O)CN1C(=O)NC2(CCC(C)CC2)C1=O)c1ccccc1 24089763 PEEUPWIFUCEXOQ-PQIHKERBSA-N 436.552 3.963 0 40 IHAB NC(=O)NCc1ccc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)cc1 24335234 BYZMXVYVSWPPLX-UHFFFAOYSA-N 425.492 3.638 0 40 IHAB CN(CC(=O)Nc1cccc(F)c1)C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 24670784 BGDGDQMSIBXCBM-JOCHJYFZSA-N 433.483 3.784 0 40 IHAB C[C@H](c1nc(-c2ccccc2)no1)N1CCN(C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)CC1 106272128 QBERBYZWXQXSDY-QRWLVFNGSA-N 438.915 3.599 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(F)c2)c2ccccc2)cc1OC 113935454 ZKEHDWMCWZQPNI-UHFFFAOYSA-N 444.484 3.677 0 40 IHAB O=C1[C@@H]2[C@@H](c3ccc(Br)cc3)N3CCC[C@@H]3[C@@H]2C(=O)N1c1ccc(F)cc1 43732504 PBDKIJISGUZBQN-YDZRNGNQSA-N 429.289 3.913 0 40 IHAB CN(C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)c1cc(F)ccc1F 58172748 BZSPNNIZTNGGCT-UHFFFAOYSA-N 434.508 3.517 0 40 IHAB O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)N1CCC(Cc2ccccc2)CC1 26521055 SEHKTWGTQBVONC-DEOSSOPVSA-N 425.548 3.863 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cnc4ccccc4c3)CC2)cc1 12564836 JEOORALQGYGBAE-UHFFFAOYSA-N 439.537 3.673 0 40 IHAB O=C(c1ccccc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 12591811 CLAIVUZXYLEQQU-UHFFFAOYSA-N 432.851 3.506 0 40 IHAB Cc1ccc(CN2CCSCC2)cc1NC(=O)COc1cccc(NC(=O)C2CC2)c1 58174715 DMIDLVBNDBYTLW-UHFFFAOYSA-N 439.581 3.910 0 40 IHAB O=C(OCC(=O)c1cccs1)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 3229718 VLHXCZWEEFMYHP-UHFFFAOYSA-N 441.530 3.929 0 40 IHAB CN(CC(=O)Nc1cc(Cl)ccc1N1CCCC1)S(=O)(=O)/C=C/c1ccccc1 9224212 MZNFXWWQCCPPGZ-SDNWHVSQSA-N 433.961 3.811 0 40 IHAB O=C(OCCCN1C(=O)c2ccccc2C1=O)c1ccc(NC(=O)c2cccs2)cc1 24934011 NRMHWKIZTBVZGA-UHFFFAOYSA-N 434.473 3.844 0 40 IHAB CCN1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3C)c2)CC1 408545720 MZEXOOPTVKCOGS-UHFFFAOYSA-N 435.977 3.535 0 40 IHAB NC(=O)Cn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1cccs1 12821129 ZYCOGGLVBCKHAW-UHFFFAOYSA-N 449.561 3.890 0 40 IHAB C[C@H](c1ccccc1)N1C[C@@H](C(=O)OCC(=O)Nc2ccc(Br)cc2)CC1=O 408656611 NMWNIGCCWVKQEU-ZBFHGGJFSA-N 445.313 3.541 0 40 IHAB O=C(CSCc1cc(=O)n2cc(Cl)ccc2n1)Nc1ccc(OC(F)F)cc1 13101842 UVFATTHARAGYGE-UHFFFAOYSA-N 425.844 3.821 0 40 IHAB O=C(CSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[nH]1)NCCC1=CCCCC1 13101835 TXGYRMFKZSMNKC-UHFFFAOYSA-N 443.960 3.861 0 40 IHAB C[C@H](NC(=O)CSc1nnc(NCc2ccc(F)cc2)s1)c1ccc2c(c1)OCO2 13164330 QXZFWCRMQQTOCS-LBPRGKRZSA-N 446.529 3.988 0 40 IHAB COc1ccc(N2C[C@@H](c3nnc(NC(=O)CSc4ccccc4)s3)CC2=O)cc1 13944458 QNNCJXCSRINCQE-AWEZNQCLSA-N 440.550 3.798 0 40 IHAB Cc1ccc(-c2cc3c(=O)n(CCC(=O)NCc4ccc(F)cc4F)ccn3n2)cc1C 67260878 JWTCITBXACYEEX-UHFFFAOYSA-N 436.462 3.765 0 40 IHAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1cc(=O)c2ccc(Br)cc2o1 15859898 GMRGJDFXBWECFD-OAHLLOKOSA-N 431.286 3.715 0 40 IHAB Cc1cc(=O)n2c(n1)NC(NCCc1c[nH]c3ccccc13)=N[C@@H]2c1ccc(Cl)cc1 8990545 LWIPMBCNDPMXLH-NRFANRHFSA-N 432.915 3.847 0 40 IHAB Cc1ccc(-n2c(SCC(N)=O)nnc2-c2cc(Br)ccc2O)c(C)c1 9192214 XROOIUHGTVNNIW-UHFFFAOYSA-N 433.331 3.597 0 40 IHAB CCOc1ccc([C@@H]2Nn3c(CC)nnc3S[C@@H]2C(=O)Nc2cccc(OC)c2)cc1 9197749 XQWCPPHNTSRZGD-PMACEKPBSA-N 439.541 3.646 0 40 IHAB O=C(CCN1C(=O)S/C(=C\c2cccc(Cl)c2)C1=O)NCCc1ccc(O)cc1 9429705 FAMGXRQNUHNIBT-AQTBWJFISA-N 430.913 3.831 0 40 IHAB O=C(NCC[S@](=O)Cc1ccccc1)[C@H](c1cccc(Br)c1)N1CCCC1 72306974 GCWZZKRFZXRRFB-CCLHPLFOSA-N 449.414 3.651 0 40 IHAB C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1)c1ccc2c(c1)OCCO2 9883871 QSFXGSLHVGVAAP-APWZRJJASA-N 436.533 3.738 0 40 IHAB O=C(c1cccc2ccccc12)N1CCC[C@@H](C(=O)N2CCC([C@@H](O)C(F)(F)F)CC2)C1 89873173 TXIJDOHWZPRMAP-WIYYLYMNSA-N 448.485 3.854 0 40 IHAB COc1cc(OC)cc(C(=O)NC(=S)Nc2cc(-c3ccc(CO)o3)ccc2OC)c1 20153521 XCCNGQGLLOEJBO-UHFFFAOYSA-N 442.493 3.592 0 40 IHAB COC(=O)c1ccccc1NC(=O)CNC(=O)c1ccc(COc2ccc(Cl)cc2)o1 408560613 DQAZFGVADMSEFO-UHFFFAOYSA-N 442.855 3.667 0 40 IHAB CCn1c(Cc2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1ccc(OC)cc1 408638489 RGJLWMMXYTXRKF-UHFFFAOYSA-N 442.541 3.645 0 40 IHAB COc1ccc(C(=O)Oc2ccccc2/C=C2/N=C(c3ccc4c(c3)OCO4)OC2=O)cc1 409193278 IFTWDMRYNYUJMA-XDHOZWIPSA-N 443.411 3.988 0 40 IHAB CCc1cccc(CC)c1N1C[C@H](C(=O)OCC(=O)Nc2ccc(Cl)cc2)CC1=O 408659736 MUDPVCDKYBUROF-QGZVFWFLSA-N 428.916 4.000 0 40 IHAB O=C(CCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc2c(c1)OCCO2 32963925 LOJLSNGVHZUXKJ-UHFFFAOYSA-N 448.441 3.788 0 40 IHAB O=C(CCc1ccccc1F)N1CCC([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)CC1 72395604 OLKGPIBCFHNZAV-DLBZAZTESA-N 425.430 3.576 0 40 IHAB Cc1nnc(N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)c2ccccc12 32666252 YGAXPXORHVNOCP-UHFFFAOYSA-N 437.352 3.756 0 40 IHAB CC(C)Oc1cccc(CNC(=O)COc2ccc(I)cc2)c1 219833066 FELPZBYISZHAQE-UHFFFAOYSA-N 425.266 3.774 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1Cl 30847999 NTGOWDHWZVDWIC-UHFFFAOYSA-N 438.933 3.538 0 40 IHAB COc1ccccc1OCc1nnc(SCC(=O)Nc2ccc(F)c(Cl)c2)n1C 33551209 PWLJXVWUIMLMCH-UHFFFAOYSA-N 436.896 3.926 0 40 IHAB COc1cc(CNC(=O)CCCN(c2ccc(C)cc2)S(C)(=O)=O)ccc1OC(C)C 219625120 INFNJQJYRUVTRW-UHFFFAOYSA-N 448.585 3.653 0 40 IHAB Cc1cc(NC(=O)COC(=O)CCCC(=O)NC2CCCCC2)ccc1Br 138679336 DLABWZJRWGPJIZ-UHFFFAOYSA-N 439.350 3.858 0 40 IHAB C[C@@]1(c2ccccc2C(F)(F)F)NC(=O)N(CC(=O)Nc2cccc(Cl)c2)C1=O 40116673 IPTHYAQDAMPTGM-SFHVURJKSA-N 425.794 3.765 0 40 IHAB Cc1ccc(-c2nc(C(=O)NCc3cccc(S(=O)(=O)NC(C)C)c3)cs2)cc1 40069394 BCRVPMSGGAAYDH-UHFFFAOYSA-N 429.567 3.735 0 40 IHAB COc1ccccc1OCC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)NC1CCCCC1 224978940 CLMKMYBLLRQXFT-FQEVSTJZSA-N 438.568 3.983 0 40 IHAB CN1CCN(c2ccc(-c3noc([C@@H]4CCCN4Cc4ccc(Cl)cc4)n3)cn2)CC1 49155104 YFTWLVJHOGOJBH-FQEVSTJZSA-N 438.963 3.874 0 40 IHAB biogenic,in-vitro CCOc1ccccc1CCCNC(=O)CCCN(c1ccc(CC)cc1)S(C)(=O)=O 222647577 YMLGCZHDGVFMMG-UHFFFAOYSA-N 446.613 3.943 0 40 IHAB CCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(NC(=O)COC)cc1 225228968 IAGAUXOMGUNREF-FGZHOGPDSA-N 435.553 3.665 0 40 IHAB CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCCc3ccc(F)cc3)c2)CC1 224108303 GZGVUFFFIKRZEP-UHFFFAOYSA-N 438.952 3.872 0 40 IHAB C[C@@H](CNC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1)c1ccccc1 223502480 DNQGLEZIBDTBSU-SFHVURJKSA-N 426.513 3.941 0 40 IHAB COc1cccc(-c2ccc3c(c2)O[C@H]2CN(Cc4ccncc4F)C[C@H]2N(C)C3=O)c1 514288826 BZFAIXHPJVOXTG-VWNXMTODSA-N 433.483 3.614 0 40 IHAB biogenic,in-vitro CN1CCN(c2ccc(NC(=O)[C@H]3CCCN(Cc4ccccc4Cl)C3)cc2)CC1 96627169 FGPGKODDQSKTEO-FQEVSTJZSA-N 426.992 3.943 0 40 IHAB COC(=O)C[C@@H](c1cccnc1)c1oc(CSc2ccc(OC)cc2)cc(=O)c1O 95478114 FPCAZYBHXYQYPD-SFHVURJKSA-N 427.478 3.736 0 40 IHAB COc1ccc([C@H](C)N(C)CC(=O)N(C)[C@H](C)c2ccc(OC)c(OC)c2)cc1OC 248094044 GCRMSXABNVQDOU-DLBZAZTESA-N 430.545 3.933 0 40 IHAB COc1ccc2c(c1)C=C(C(=O)N1CCC[C@H](c3cccc(Nc4cnccn4)n3)C1)CO2 257199711 AAOVLUOOZKEKMZ-KRWDZBQOSA-N 443.507 3.806 0 40 IHAB Cc1ncsc1C(=O)N1CCO[C@H](c2cc(CCOc3ccc(Cl)cc3)n(C)n2)C1 257312236 UMYZRKAMCHBUOY-IBGZPJMESA-N 446.960 3.674 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)NCCCN3CCC[C@H](C)C3)c2)cc1 260565759 UGOQKGSNEVOLRR-FQEVSTJZSA-N 443.613 3.672 0 40 IHAB COc1ccc(CNC(=O)N2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)cc1OC 90607594 XGFGYVXDVPBMDE-UHFFFAOYSA-N 439.434 3.871 0 40 IHAB O=C1NCCN(C(=O)CCCOc2cccc(F)c2)[C@@H]1Cc1ccc(-c2ccncc2)cc1 585168996 IFXCUMCPKGOJBU-XMMPIXPASA-N 447.510 3.616 0 40 IHAB CCOC(=O)[C@]1(Cc2cc(-c3cccc(F)c3)no2)CCCN(Cc2cncn2C)C1 72394026 AIOMZYOXBNKZHN-QHCPKHFHSA-N 426.492 3.602 0 40 IHAB COCc1cccc(C(=O)N2CCC[C@@H]3NC(=O)c4ccccc4OCCC=CC[C@@H]32)c1 1615525800 LRQQYFGNKNSKRN-GOTSBHOMSA-N 434.536 3.965 0 40 IHAB CCn1cc(S(=O)(=O)N2[C@@H]3CC[C@@H](C3)[C@@H]2COc2cccc(C(F)(F)F)c2)cn1 12085333 SHEPTWAQGDNRTO-JOQOYGCGSA-N 429.464 3.542 0 40 IHAB Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)Nc2cccc(C(=O)NC3CC3)c2)c1 12606266 VOMWUEZQOFPVNY-UHFFFAOYSA-N 435.553 3.816 0 40 IHAB CC[C@H](C(=O)Nc1ccc(OC)cc1OC)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714216 RVVQTFIRMMIZTE-QGZVFWFLSA-N 426.922 3.541 0 40 IHAB COc1ccc2c(c1)OC1(CCN(C[C@H](O)c3ccc(Br)cc3)CC1)C[C@H]2O 13998247 WFMHTROHQNRTAM-UXHICEINSA-N 448.357 3.842 0 40 IHAB Cc1ccc(C)c(-c2csc(NC(=O)c3ccc(CCNS(C)(=O)=O)s3)n2)c1 16708515 HVQRGNDYKKABRD-UHFFFAOYSA-N 435.596 3.832 0 40 IHAB Cc1cc(C(F)F)nn1CC(=O)NCCn1cc(-c2ccncc2)c(-c2cccs2)n1 19119253 OPHYESCCFCSPTA-UHFFFAOYSA-N 442.495 3.933 0 40 IHAB CCOc1ccc(CC(=O)N2CCC[C@@H](Cn3nc(-c4cccs4)ccc3=O)C2)cc1 19533010 MWDXYWKCLVUURP-LJQANCHMSA-N 437.565 3.852 0 40 IHAB O=C(C[C@H]1C(=O)N(CCCn2ccnc2)c2nc3ccccc3n21)Nc1ccc(Cl)cc1 19819471 AACXJWYHOBGLRE-FQEVSTJZSA-N 448.914 3.893 0 40 IHAB CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1ccc2c(c1)OCO2 9263061 BOQDMWSUILEJQC-UHFFFAOYSA-N 440.525 3.953 0 40 IHAB CC(C)(C)NC(=O)[C@@H](c1cccs1)N(C(=O)C(=O)NC1CCCCC1)C1CCCC1 4895634 POOCBTJACCAHIT-LJQANCHMSA-N 433.618 3.924 0 40 IHAB CC(C)Oc1ccc(C(=O)N2CCc3cc(S(=O)(=O)NC4CCCC4)ccc32)cc1 8870928 ZBJKQMNJBQEGJL-UHFFFAOYSA-N 428.554 3.898 0 40 IHAB O=C(Nc1c2c(nn1-c1cccc(Cl)c1)CS(=O)(=O)C2)c1cc2ccccc2o1 8910235 SDPGLPHTKIKJEK-UHFFFAOYSA-N 427.869 3.953 0 40 IHAB COc1ccc(C(=O)NC[C@@H](c2cccs2)S(=O)(=O)c2ccccc2)cc1OC 9741335 CQDBVZIEQVKTNW-FQEVSTJZSA-N 431.535 3.710 0 40 IHAB Cc1cc(NC(=O)C2CCCC2)n(-c2nc(O)c3cnn(-c4ccc(Cl)cc4)c3n2)n1 17011687 YVNXLPWZWSWYPY-UHFFFAOYSA-N 437.891 3.797 0 40 IHAB CCOC(=O)N1CCN([C@H](c2ccc(C(C)C)cc2)c2sc3nc(C)nn3c2O)CC1 23157212 QVPQZNOBNQEQRG-GOSISDBHSA-N 443.573 3.792 0 40 IHAB C[C@@H](NC(=O)c1ccc2noc(-c3ccccc3)c2c1)C(=O)Nc1ccc2c(c1)OCO2 36584192 DGHYOQPVZJOFRG-CQSZACIVSA-N 429.432 3.981 0 40 IHAB COCCn1/c(=N/C(=O)c2ccccc2I)sc2ccccc21 100872482 JZQAQCUZFZDXBC-ZPHPHTNESA-N 438.290 3.695 0 40 IHAB Cc1oc(-c2cccs2)nc1COC(=O)CCNS(=O)(=O)c1cccc(Cl)c1 40039283 RFWFIAMVPHNVDO-UHFFFAOYSA-N 440.930 3.777 0 40 IHAB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3Cl)=C(C)Nc3ncnn32)c1OC 40485027 ODGTXBGTMYEAGL-GOSISDBHSA-N 425.876 3.876 0 40 IHAB COc1ccc([C@@H]2CC(O)=Nc3c2c(C)nn3-c2ncnc3[nH]cnc23)cc1OC(C)C 31811142 GTXODVHFYJKLHE-AWEZNQCLSA-N 433.472 3.766 0 40 IHAB CCOc1cc(C(=O)Nc2ccc(N3CCOCC3)cn2)ccc1OCc1cccnc1 31912978 SYYNUJFPQMMMQX-UHFFFAOYSA-N 434.496 3.543 0 40 IHAB COc1cccc(NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2C)c1 902376 XWDKMLGKNPMSKB-UHFFFAOYSA-N 433.331 3.984 0 40 IHAB CC(C)[C@@H](C(=O)OCC(=O)Nc1cccc2ccccc12)N1C(=O)c2ccccc2C1=O 1917013 VTEMNOLKXWYNDO-QFIPXVFZSA-N 430.460 3.642 0 40 IHAB CC(C)[C@H]1Cc2c(sc3nc(SCC(=O)NCCc4ccccc4)nc(N)c23)CO1 2226133 QOJWEDIMZSNCCS-MRXNPFEDSA-N 442.610 3.822 0 40 IHAB C[C@H](Sc1nnc(Cc2ccccc2F)n1N)C(=O)Nc1cccc(C(F)(F)F)c1 2643067 ZRBUXZRRKIICJK-NSHDSACASA-N 439.438 3.860 0 40 IHAB CCOc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1[C@@H](C)COC 3245021 FKUPRECILFFBAG-HNNXBMFYSA-N 427.526 3.733 0 40 IHAB COc1cc(N)c(Cl)cc1C(=O)OCC(=O)Nc1ncc(C(F)(F)F)cc1Cl 3269265 BEUXSTTXNLYALF-UHFFFAOYSA-N 438.189 3.794 0 40 IHAB COc1ccc(/C=C/C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1OC 3291368 YILWBLQDCWFECL-GQCTYLIASA-N 444.793 3.966 0 40 IHAB O=C(CSc1nc2ccccc2c(=O)n1Cc1ccco1)N1CCc2ccccc2C1 3452147 ACWBJOYCZBFIFK-UHFFFAOYSA-N 431.517 3.715 0 40 IHAB CC1=C(C(N)=O)[C@@H](c2ccc(F)cc2)N2NC(SCc3ccccc3Cl)=NC2=N1 4574842 UBCSQMUXQPOPIU-QGZVFWFLSA-N 429.908 3.759 0 40 IHAB COc1cc2c(cc1OC)[C@@H](c1cc(Br)c(O)c(OC)c1)[C@H]1C(=O)OC[C@@H]1C2 8655141 YHYWCWAKWGMRSK-RQUSPXKASA-N 449.297 3.658 0 40 IHAB Cc1ccc(CN(C)CC(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)o1 8724494 GNVUMVXJQGLTOG-UHFFFAOYSA-N 432.568 3.981 0 40 IHAB CCOc1cccc([C@@H]2c3c(-c4cc(Cl)c(C)cc4O)n[nH]c3C(=O)N2CCO)c1 9293064 BUSJYWJSGIGCAU-OAQYLSRUSA-N 427.888 3.680 0 40 IHAB Cc1cccc(C)c1NC(=O)C(=O)NCCc1csc2nc(-c3ccc(F)cc3)nn12 9569005 AKTQKENTUIFQQF-UHFFFAOYSA-N 437.500 3.511 0 40 IHAB CCc1ccccc1NC(=O)C(=O)NCCc1csc2nc(-c3cccc(C)c3)nn12 9569103 ORFSOSAHSSDIHH-UHFFFAOYSA-N 433.537 3.626 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-n2cccc2)cc1 9737750 ZIADRGVHCJLFPG-UHFFFAOYSA-N 447.520 3.966 0 40 IHAB CCCCn1c(=O)c2c(nc3n(-c4ccc(C(F)(F)F)cc4)c(C)c(C)n23)n(C)c1=O 10271907 CKJDYBVCKOFJPC-UHFFFAOYSA-N 433.434 3.574 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCCCCC2)Cc2ccccc2)cc1C 10301696 ZIOXCVMJKUVJRL-UHFFFAOYSA-N 444.597 3.987 0 40 IHAB COc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 10393918 WNDMESSHMMDOMD-INIZCTEOSA-N 426.494 3.902 0 40 IHAB CCOc1cc(C(=O)OCC(=O)Nc2cc(OC)cc(OC)c2)cc(OCC)c1OCC 10751436 JYVLUAAEWBSLMF-UHFFFAOYSA-N 447.484 3.695 0 40 IHAB Nn1c(Cc2ccccc2F)nnc1SCC(=O)Nc1ccccc1SC(F)F 11685256 JDFYZUZKFONPFW-UHFFFAOYSA-N 439.488 3.767 0 40 IHAB O=C(NC1CCC(O)CC1)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 12604510 DNRFMZUZPNVNNC-UHFFFAOYSA-N 443.352 3.828 0 40 IHAB CC(C)[C@@](C)(CC(=O)N1CCOCC1)C(=O)Oc1ccc(C(=O)c2ccc(F)cc2)cc1 12784230 SEXUULRDDDOMFY-RUZDIDTESA-N 441.499 3.873 0 40 IHAB Cc1nnc2sc(-c3ccc(CNC(=O)c4ccc(Br)cc4)cc3)nn12 12854444 BTCALODZBICKHM-UHFFFAOYSA-N 428.315 3.854 0 40 IHAB O=C(CCc1nc(-c2cccs2)no1)Nc1ccc(I)cc1 12922622 WHVBWEZQYBVVPM-UHFFFAOYSA-N 425.251 3.974 0 40 IHAB COc1ccc(-c2noc(CN3CCN(C(=O)c4occc4-c4ccccc4)CC3)n2)cc1 13003173 NOESGXBVCWWANV-UHFFFAOYSA-N 444.491 3.963 0 40 IHAB CCCc1ccc([C@H](NC(=O)C2CCN(S(=O)(=O)c3ccn(C)c3)CC2)C(C)C)cc1 13007379 INUUHWVHTHRCPW-HSZRJFAPSA-N 445.629 3.892 0 40 IHAB O=C(CCC1CCCCC1)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 13060699 QNUOXWKWJYBXJW-UHFFFAOYSA-N 432.508 3.899 0 40 IHAB CCc1nnc(NC(=O)c2cccc(S(=O)(=O)N(C)c3cccc(Cl)c3)c2)s1 13068724 NJEDYZOXEBBOLC-UHFFFAOYSA-N 436.946 3.831 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)COc2cccc(C)c2)c1 13070858 AUJQWCMETWXXRI-UHFFFAOYSA-N 445.585 3.643 0 40 IHAB Cn1cc(-c2cc(C(=O)N3CCC[C@@H]([C@@H]4CC(=O)c5cc(Cl)ccc5O4)C3)no2)cn1 13265498 GGBHGEWYJBMQQO-XCLFUZPHSA-N 440.887 3.615 0 40 IHAB OC1CCN([C@@H]2c3cc(-c4ccccc4)cnc3Sc3nc(-c4cccnc4)nn32)CC1 13566591 RCYCTVVEMTVTBP-QHCPKHFHSA-N 442.548 3.870 0 40 IHAB CCN(CC(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1cc(F)ccc1OC 13581199 KBQFAZHDBLUTMH-UHFFFAOYSA-N 435.304 3.790 0 40 IHAB Cc1nn2c(C)c(C(=O)N3CCN(Cc4ccccc4)CC3)nnc2c1-c1ccc(F)cc1 13639240 JXQQSPMVOUKTCC-UHFFFAOYSA-N 444.514 3.505 0 40 IHAB CCOc1cccc(NC(=O)[C@@H](C)N(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)c1 13668382 PPTMJZPGNNYJAH-CYBMUJFWSA-N 426.922 3.541 0 40 IHAB COc1ccc(-c2cc3ccc(OCC(=O)NCc4ccncc4)cc3oc2=O)cc1OC 13691607 YZWZXYGTSPGTQN-UHFFFAOYSA-N 446.459 3.567 0 40 IHAB Cc1c(C(=O)OCC(=O)N(CCC(N)=O)c2ccc(F)cc2)oc2ccc(Cl)cc12 14184484 NRTAGYSCKWKKGT-UHFFFAOYSA-N 432.835 3.599 0 40 IHAB O=C(OCc1nc2ccccc2s1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 14248495 YPLXRSIWQSOQRI-AWEZNQCLSA-N 434.514 3.580 0 40 IHAB Cc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1S(=O)(=O)N1CCCCC1 15616326 JDQKSLGPQCLYGV-UHFFFAOYSA-N 425.554 3.623 0 40 IHAB CCCn1c(SCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)n[nH]c1=O 16045615 OVFXWNJTZOIWIB-INIZCTEOSA-N 445.932 3.698 0 40 IHAB CCC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3ccc(C)cc3)co2)s1 16047757 LERBKFZUOAIPTE-UHFFFAOYSA-N 431.495 3.660 0 40 IHAB COc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1Cl 17101820 XKDRVYUDGRIJBZ-VIFPVBQESA-N 437.974 3.761 0 40 IHAB CC(=O)NC(=O)c1cc2cc(Br)ccc2o/c1=N\c1ccc(C(C)=O)cc1 17130793 YMGRUEJTCHJWKF-ATJXCDBQSA-N 427.254 3.907 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCCSc1ccccc1 18214525 AUDURGNWQQVPMJ-UHFFFAOYSA-N 448.610 3.782 0 40 IHAB CCCN1CCN(C(=O)c2ccnn2C)C[C@H](Cc2ccc(-c3cccs3)cc2)C1=O 19502894 LAJJZDUUYKBCID-FQEVSTJZSA-N 436.581 3.702 0 40 IHAB COc1ccc(OCc2nnc(SCC(=O)Nc3nc4ccccc4s3)n2C)cc1 19634312 OAFRHJZETLNQSN-UHFFFAOYSA-N 441.538 3.743 0 40 IHAB Cc1c(C(=O)N2CC[C@H](c3nc(N(C)C)ncc3-c3cnn(C)c3)C2)oc2ccccc12 19693743 YYIIBTWKGJVSCZ-INIZCTEOSA-N 430.512 3.627 0 40 IHAB Cc1ccn(CCC(=O)N2CCC[C@@H](c3nc(N(C)C)ncc3-c3ccccc3F)C2)n1 19694089 HJMHXBYVUOHYIE-GOSISDBHSA-N 436.535 3.650 0 40 IHAB CN(C)C(=O)c1sc2ccccc2c1[C@@H]1CN(C(=O)CC2(O)CCCCC2)CCO1 19697868 NYZNGGKDXHAFEE-KRWDZBQOSA-N 430.570 3.588 0 40 IHAB CC(=O)N1CCc2nc([C@@H]3CCCCN3Cc3ccccc3Cl)nc(N(C)C)c2C1 19710431 HBVUZAYBQMMHPS-NRFANRHFSA-N 427.980 3.828 0 40 IHAB O=C(Nc1ccc(F)c(F)c1F)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 19931142 NKCYAOGXJAJGOI-GOSISDBHSA-N 434.439 3.632 0 40 IHAB CCCC[C@]1(C(=O)OC)N[C@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 20150659 ULJQRIQFIWZTKL-BOCITWAFSA-N 434.536 3.856 0 40 IHAB Cc1[nH]c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccc(F)c(Cl)c4)CC3)cc2c1C 21784690 QBVUMLMFIYLHQP-UHFFFAOYSA-N 449.935 3.724 0 40 IHAB CCOC(=O)C1CCN(C(=O)[C@@H](C)Sc2nc(C(F)(F)F)nc3ccccc23)CC1 22248620 BAAJVFPEXJDCBI-GFCCVEGCSA-N 441.475 3.931 0 40 IHAB CCCc1nc2ccc(NS(=O)(=O)c3cc(C(=O)NCC)ccc3OC)cc2s1 22255231 YOXZMTZHRNPJRB-UHFFFAOYSA-N 433.555 3.808 0 40 IHAB O=C(N[C@@H]1CCOc2ccccc21)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 23646811 CZTDNNDUESCVGH-HSZRJFAPSA-N 448.544 3.687 0 40 IHAB Cc1cccc2c(=O)n(CCC(=O)Nc3cccc(-c4nnc5n4CCCCC5)c3)cnc12 25062069 LFVVPQFWULWZKI-UHFFFAOYSA-N 442.523 3.719 0 40 IHAB CSc1ccc(S(=O)(=O)N[C@H](C)CCc2ccccc2)cc1C(=O)N1CCCC1 26115493 ZCMFNAZLCUDRCK-QGZVFWFLSA-N 432.611 3.944 0 40 IHAB COc1cc(CN(C(=O)CCn2cnc3ccccc3c2=O)C2CC2)ccc1OC(F)F 32493592 VSPXEEBJNPNJCE-UHFFFAOYSA-N 443.450 3.588 0 40 IHAB O=C1c2ccccc2C(=O)N1CCC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2 32676219 AMRNWNOHROPCRT-UHFFFAOYSA-N 448.500 3.739 0 40 IHAB C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)Cc1csc(-c2ccccc2)n1 32796922 WTWXCFSDWZRZPB-CQSZACIVSA-N 444.534 3.523 0 40 IHAB CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)[C@H]1CCS(=O)(=O)C1 32836696 XMWXGQRTKOACGA-LBPRGKRZSA-N 427.931 3.618 0 40 IHAB C[C@@H]1Cc2cc(-c3csc(NC(=O)c4ccccc4F)n3)ccc2N1S(C)(=O)=O 35311398 PMQLIUNIUBHOIC-GFCCVEGCSA-N 431.514 3.912 0 40 IHAB Cc1ccc(-c2cc3c4nn(CC(=O)Nc5c(C)cccc5C)c(=O)n4ccn3n2)cc1C 38487218 IUGBEOLDLRCVIN-UHFFFAOYSA-N 440.507 3.683 0 40 IHAB CC[C@@H](NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1)c1ccccc1 44901022 PZVXFGGUASCHCB-NFBKMPQASA-N 436.533 3.910 0 40 IHAB O=C(CCc1ccccc1)NC1CCN(c2ccccc2S(=O)(=O)C(F)(F)F)CC1 48279179 IMMNULKFSPGWHP-UHFFFAOYSA-N 440.487 3.698 0 40 IHAB CSc1ccc(-c2noc(CN3CCN(CC(=O)Nc4ccc(C)cc4)CC3)n2)cc1 57427682 VXLWZEJMHJYHBI-UHFFFAOYSA-N 437.569 3.523 0 40 IHAB Cc1ccccc1-n1c(=O)c2sccc2n(CC(=O)Nc2ccc(F)cc2Cl)c1=O 57489874 IWRAWBAWNQSAOD-UHFFFAOYSA-N 443.887 3.954 0 40 IHAB CC(C)Cc1noc(CN2Cc3ccccc3C[C@@H]2C(=O)NCCc2ccc(F)cc2)n1 58024769 WKBDMOCEKBKCCC-JOCHJYFZSA-N 436.531 3.693 0 40 IHAB COc1ccc(NC(=O)[C@@H](C)Nc2cccc(N3CCN(CC4CC4)CC3)c2)cc1OC 60036481 MDGOPZUQICULAH-GOSISDBHSA-N 438.572 3.675 0 40 IHAB O=C1CCCN1CCCn1c(SCc2cc(F)ccc2F)nc2ccccc2c1=O 67258582 NJYUFVYXMSAUQO-UHFFFAOYSA-N 429.492 3.980 0 40 IHAB C[C@]1(c2cc(F)ccc2F)NC(=O)N(Cc2nn(-c3ccc(F)cc3)c3c2CCC3)C1=O 70008890 KVQUJTQFLXUVOW-HSZRJFAPSA-N 440.425 3.746 0 40 IHAB CN(CC(=O)N1CCC[C@@H]1Cc1c(C(N)=O)sc2ccccc12)Cc1ccc(F)cc1 72370331 SINWPASBZODZGZ-GOSISDBHSA-N 439.556 3.805 0 40 IHAB COCCCN1C(=O)CCc2c(C)nc(CN(C)Cc3c(C)cc(OC)c(C)c3C)nc21 72370966 XLAXNTWIVKYYAI-UHFFFAOYSA-N 440.588 3.667 0 40 IHAB Cn1ccnc1[C@]1(O)CCCN(c2ncc(-c3cccs3)c(-c3nccs3)n2)CC1 72396545 PBXPPZOQQNUAIU-NRFANRHFSA-N 438.582 3.940 0 40 IHAB O=C1[C@@H]2C[C@@H](CN2S(=O)(=O)Cc2ccccc2)Oc2ccccc2N1Cc1ccccc1 96111622 GSQZLMQRAORWFP-GMAHTHKFSA-N 448.544 3.585 0 40 IHAB biogenic,in-vitro Cc1ccc(Cl)cc1N1CCN([C@H]2CC(=O)N(Cc3ccc(Cl)cc3)C2=O)CC1 100199365 ZQLRBDFBTJEEDC-FQEVSTJZSA-N 432.351 3.752 0 40 IHAB O=C1CCC(=O)C1=NNc1c(Br)cc(Br)cc1Br 109708018 CUXSRASODPSMLV-UHFFFAOYSA-N 438.901 3.674 0 40 IHAB CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C 118915697 ZGSRADNVNCTCOP-KRSPYORBSA-N 446.584 3.943 0 40 IHAB in-vitro COc1ccc(CCNc2ccc(S(=O)(=O)NCc3ccccc3)cc2C(=O)O)cc1 217605549 YACMTXPXWAEDIQ-UHFFFAOYSA-N 440.521 3.527 0 40 IHAB CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)COc1cc(C)cc(C)c1 223017261 JHVWZXXNHNDYAF-KRWDZBQOSA-N 447.373 3.998 0 40 IHAB C[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CCc1ccc2c(c1)OCCO2 223128793 ACTSEMXPEWYIJB-IBGZPJMESA-N 438.568 3.765 0 40 IHAB CS(=O)(=O)N(CC(=O)Nc1ccc(OCc2ccccc2)cc1)Cc1ccccc1F 223182957 IZBDILYKQDMSIQ-UHFFFAOYSA-N 442.512 3.805 0 40 IHAB COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(C)n1-c1cccnc1 223717692 ZGPYWZUXJASVET-FCHUYYIVSA-N 435.553 3.501 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)NCC2CCCCC2)c2ccc(C)cc2)cc1 223738909 RFXHYXUANCJGNM-UHFFFAOYSA-N 430.570 3.895 0 40 IHAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccccc1 223932445 JARLHFWMTCTXGV-MRXNPFEDSA-N 433.346 3.771 0 40 IHAB CCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CCc1ccc2c(c1)OCO2 224306936 LXGGKABFMPGTDF-IBGZPJMESA-N 430.932 3.945 0 40 IHAB CCCc1ccc(OCCNC(=O)[C@@H](CC)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 224314306 GAYPLOPFPDSTNK-HSZRJFAPSA-N 446.613 3.996 0 40 IHAB CCOC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224616262 VNTXCBZBGCRJQM-UHFFFAOYSA-N 448.324 3.769 0 40 IHAB O=C(NCCSC1CCCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 225545370 DXCDEPSPXZNCRU-INIZCTEOSA-N 445.050 3.923 0 40 IHAB O=C(Nc1ccc2sncc2c1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 226077506 GXYUVVGQRAGCRU-CYBMUJFWSA-N 435.958 3.989 0 40 IHAB CCCNC(=O)CCc1c(C)nc2cc([C@@H]3CCCN3C(=O)[C@@H]3CC=CCC3)nn2c1C 257304283 SKWMFVZGAXZZJR-KNQAVFIVSA-N 437.588 3.825 0 40 IHAB Cc1ccc(N([C@@H](C)C(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)S(C)(=O)=O)cc1 260453258 HLOVIYFCDCERIX-PXNSSMCTSA-N 430.570 3.877 0 40 IHAB C[C@H]1CCCN(CCCNC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3F)c2)C1 260565818 VWFQOFUNEKONRT-SFHVURJKSA-N 447.576 3.503 0 40 IHAB CC(C)CN1CCC2(CCCN(C(=O)Nc3ccccc3)[C@@H]2CNC(=O)N(C)C)CC1 306137610 RBIFINZNSGHTFA-OAQYLSRUSA-N 429.609 3.692 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3CC)C2)cc1C 408558684 SNNXHABURKTQCG-LJQANCHMSA-N 430.570 3.996 0 40 IHAB CC(C)CCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1Cl 408561394 ITWLXTTYEVAEKV-UHFFFAOYSA-N 428.913 3.821 0 40 IHAB CCc1cccc(C)c1NC(=O)CN(Cc1ccc(Br)cc1)S(C)(=O)=O 408603736 CNRYGGKZNNHSSL-UHFFFAOYSA-N 439.375 3.720 0 40 IHAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1 408709989 KJMGDWVXBWJKNF-UHFFFAOYSA-N 435.911 3.833 0 40 IHAB Cc1ccc(NC(=O)CSc2nnc([C@H](C)NC(=O)c3ccc(Cl)cc3)n2C)cc1 409347615 MIHJLWOQBVERPZ-AWEZNQCLSA-N 443.960 3.999 0 40 IHAB CCS(=O)(=O)N1CCC(NC(=O)NCC2(c3ccc(C(C)C)cc3)CCCC2)CC1 535330592 RDOUYTAZEUWGLU-UHFFFAOYSA-N 435.634 3.735 0 40 IHAB COc1cc2c(cc1OC)CN(C(=O)[C@H](c1ccccc1)N1Cc3ccccc3C1=O)CC2 604419477 BOSQBKSGHJIMNU-VWLOTQADSA-N 442.515 3.986 0 40 IHAB O=C(Cc1ccccc1)N1CCO[C@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 607855306 IVJNSFKAUUSVGF-QFIPXVFZSA-N 425.916 3.827 0 40 IHAB CC(=O)N1CCCCCCCN(C(C)C)Cc2cc(C(=O)N[C@H](CO)C(C)C)ccc21 643576238 UIOZZIVFCKXLPH-HSZRJFAPSA-N 431.621 3.961 0 40 IHAB CNS(=O)(=O)c1cccc2c1CCN(C(=O)c1ccccc1Oc1cccc(C)c1)C2 671886741 CUZOUEXEYYTABV-UHFFFAOYSA-N 436.533 3.894 0 40 IHAB CCn1cc([C@H]2CSCCN2C(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)cn1 683364868 BZWYOMXESXJWTP-XMSQKQJNSA-N 434.565 3.726 0 40 IHAB O=C(NC[C@H]1CCN(CCc2ccccc2)C1)c1cc(Br)cc2c1OCCO2 1627081101 CZDKARISTCFJKF-QGZVFWFLSA-N 445.357 3.515 0 40 IHAB O=C1CN2CCN(C(=O)Nc3ccccc3)C[C@H]2COc2ccc(-c3ccccc3)cc2N1 1772594513 HOYICVOWXBRVOY-QFIPXVFZSA-N 442.519 3.903 0 40 IHAB CC(C)(C)NCCNc1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c12 69369565 UHUMDOSMBWHHOT-UHFFFAOYSA-N 425.602 3.991 0 40 IHAB Cc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 32784428 MEDMKZXXPCIMBL-GOSISDBHSA-N 426.563 3.631 0 40 IHAB COc1ccc2cc(C)c3nnc(SCC(=O)Nc4ccc(NC(C)=O)cc4)n3c2c1 928426 BBFCTKWMAUEWEX-UHFFFAOYSA-N 435.509 3.889 0 40 IHAB CC1(C)Oc2ccc(C(=O)N3CCCC3)cc2N(CC(=O)c2ccc(Cl)cc2)C1=O 1355323 SEGCVONMNFEKKB-UHFFFAOYSA-N 426.900 3.963 0 40 IHAB CC(C)c1cccc(C(C)C)c1NC(=O)CN1C(=O)C(=O)N(Cc2cccs2)C1=O 32814410 XEAGORJMKSAPNB-UHFFFAOYSA-N 427.526 3.924 0 40 IHAB Cc1nc2ccc(NC(=O)c3cccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)c3)cc2s1 3330301 OTLXSFRIGGQCOT-ZIAGYGMSSA-N 445.566 3.655 0 40 IHAB C[C@H](Oc1ccc(Br)cc1)C(=O)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1 32925905 IXFVOHLHNAWDQW-YOEHRIQHSA-N 444.391 3.565 0 40 IHAB Cc1nn(CCCNC(=O)CCn2nc(C(F)(F)F)c(Cl)c2C)c(C)c1Cl 2793944 IALNXDDZLKIGNK-UHFFFAOYSA-N 426.270 3.927 0 40 IHAB COCCN(C(=O)COc1ccccc1)c1nc(-c2cc(OC)ccc2OC)cs1 6904814 QHFNJFVBMQDSGT-UHFFFAOYSA-N 428.510 3.886 0 40 IHAB O=C1c2ccccc2N[C@H](c2ccc(OCCO)cc2Br)N1CC(F)(F)F 22195874 NYKPAWRJTARBMO-INIZCTEOSA-N 445.235 3.949 0 40 IHAB C[C@H](Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)C(=O)N(C)Cc1ccccc1 8901440 PJAYTMNTVQIEIO-HKUYNNGSSA-N 437.565 3.715 0 40 IHAB C[C@@H](Sc1nc(CN2CCOCC2)nc2ccccc12)C(=O)N1CCCc2ccccc21 22358717 JFXAMIZMQAXARS-GOSISDBHSA-N 448.592 3.922 0 40 IHAB O=C(Oc1ccc(Br)cc1)C1CCC(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)CC1 9094717 RYXUEXOADKCODB-BAMKMPJRSA-N 444.325 3.720 0 40 IHAB CC[C@H](C)c1ccc(NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2cccc(C)c2)cc1 22962968 IEFOGEOUQHXEOJ-LAUBAEHRSA-N 430.570 3.680 0 40 IHAB CC(C)(C)C(=O)NCCC(=O)Nc1cc(C(F)(F)F)ccc1I 58005987 ZSQUDNFHXNJUQN-UHFFFAOYSA-N 442.219 3.801 0 40 IHAB CCOC(=O)C1=C(CN2CCc3sccc3[C@@H]2c2ccccc2)NC(=O)N[C@@H]1CC 24945465 MVCPUTXYWLBWHP-UTKZUKDTSA-N 425.554 3.604 0 40 IHAB CCN(CC)Cc1ccccc1CNC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 25061031 JIRUBQBESXOETJ-UHFFFAOYSA-N 432.568 3.895 0 40 IHAB CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 25956358 CACFMTIMCKDEGP-PXDATVDWSA-N 446.576 3.952 0 40 IHAB CC(=O)Nc1sc2c(c1C(=O)OCC(=O)Nc1ccc(F)c(F)c1F)CCCC2 3287944 AECDMTADEFYCBU-UHFFFAOYSA-N 426.416 3.798 0 40 IHAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/c1cc(C(=O)O)c2ccccc2n1 12688666 WCAOLBPKUCPBBU-PSKZRQQASA-N 431.901 3.621 0 40 IHAB O=C(CSc1nnc(-c2ccco2)o1)N1CCN(Cc2c(F)cccc2Cl)CC1 27241611 GFSQRNGRELUXDJ-UHFFFAOYSA-N 436.896 3.559 0 40 IHAB O=C(N[C@@H]1CCOc2ccccc21)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 12693622 KAQYXCLMNRSAJW-OAQYLSRUSA-N 434.517 3.692 0 40 IHAB CCS(=O)(=O)N1c2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2C[C@H]1C 20449176 OTQGVVLTYPTGKL-GOSISDBHSA-N 426.582 3.882 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1SC[C@H]1CCCO1 10031907 IBCQKJCLIQFHJL-GOSISDBHSA-N 446.594 3.995 0 40 IHAB CC1CCN([C@@H](CNC(=O)CCCc2nc3ccccc3c(=O)[nH]2)c2cccs2)CC1 27573273 FNZPWQWMGZTIEF-FQEVSTJZSA-N 438.597 3.897 0 40 IHAB Cc1cc(C)c(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)c(C)n1 58162200 PXTNXUWZWKEKJR-UHFFFAOYSA-N 439.940 3.839 0 40 IHAB Cc1ccc(N(CCC(=O)Nc2nnc(C3CC3)s2)S(=O)(=O)c2ccccc2)cc1 3357301 DZBAWCDRXVJVJA-UHFFFAOYSA-N 442.566 3.948 0 40 IHAB Cc1ccc([C@@H]2N=C(N3CCN(c4cccc(Cl)c4)CC3)Nc3nc(C)cc(=O)n32)cc1 10342432 HBLXKJPNFQAYME-JOCHJYFZSA-N 448.958 3.664 0 40 IHAB C[C@H]1CN(C(=O)c2ccccc2NC(=O)c2nn(-c3ccccc3)c3c2CCC3)C[C@@H](C)O1 27991255 TVIRWQWGUJCZCJ-HDICACEKSA-N 444.535 3.863 0 40 IHAB Cc1cccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4C3=O)c2)c1C 408654352 GHTCNQNVCJAUOY-DODAUVCRSA-N 446.503 3.634 0 40 IHAB CCOC(=O)c1ccsc1NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2 11287475 LHODTKCGLUKHAK-QGZVFWFLSA-N 430.526 3.862 0 40 IHAB CN(Cc1ccc(OC(F)F)cc1)C(=O)CSc1ccc(C(=O)N2CCCC2)cn1 48331584 DOEBLNGEICYLEO-UHFFFAOYSA-N 435.496 3.670 0 40 IHAB COCCN(Cc1nnc(-c2cccs2)o1)[C@H](C(=O)N1CCCC1)c1ccccc1 12865432 MGWUPHWQDCDWJT-FQEVSTJZSA-N 426.542 3.610 0 40 IHAB C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1 29361163 VJZAPPJDFSNJQF-QFIPXVFZSA-N 433.596 3.754 0 40 IHAB C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3ccccc3Cl)C(=O)[C@@H]21 408651549 NLHIPRXFIUQSSW-FYINFDKHSA-N 436.895 3.777 0 40 IHAB CC1CCC2(CC1)NC(=O)N(NC(=O)c1cccc(OCc3ccc(F)cc3)c1)C2=O 14129345 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COc1ccccc1C(=O)NC(=S)Nc1cc(-c2nn3c(C)nnc3s2)ccc1C 32126761 RFNJARXTKAMASN-UHFFFAOYSA-N 438.538 3.605 0 40 IHAB COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)OCC(=O)Nc1ccccc1F 32899331 JJOFBDSUEYOCNZ-UHFFFAOYSA-N 437.349 3.834 0 40 IHAB CS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)NCc2ccc(F)cc2)cc1 38771555 KVQZNSIAZRBJDX-UHFFFAOYSA-N 430.476 3.861 0 40 IHAB COc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1cccc(C)c1OC 32127382 KMLOOQJFZGTAMH-UHFFFAOYSA-N 439.493 3.984 0 40 IHAB CCn1c2ccccc2c2cc(NC(=O)[C@H]3CN(S(C)(=O)=O)c4ccccc4O3)ccc21 30755194 XHJACGXYXOUTQA-HSZRJFAPSA-N 449.532 3.980 0 40 IHAB Cc1sc2ncn(CCC(=O)N3CCC(OCc4ccccc4)CC3)c(=O)c2c1C 32902760 WDSBHULRCBRKSL-UHFFFAOYSA-N 425.554 3.673 0 40 IHAB COc1ccc(NC(=O)Cn2c(=O)nc(-c3cccs3)c3nc(C)sc32)cc1OC 32615838 MFRKEUMXKJCTKA-UHFFFAOYSA-N 442.522 3.546 0 40 IHAB Cc1c(Br)c(C(F)(F)F)nn1[C@@H](C)C(=O)Nc1cc(-c2ccncc2)n[nH]1 72255848 HUVSHTUSLOKTIF-VIFPVBQESA-N 443.227 3.958 0 40 IHAB CC[C@@H](C(=O)Nc1cccc(C(C)=O)c1)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 220750199 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COc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)NCCCOC3CCCC3)c2)cc1 224285680 MTTKWRRRARDIHE-UHFFFAOYSA-N 446.569 3.599 0 40 IHAB O=C(c1cccc(Cn2ccnc2)c1)N1CCOC[C@H](Cc2cccc3ccncc23)C1 257266482 MDFHCFUNKZFUSX-OAQYLSRUSA-N 426.520 3.811 0 40 IHAB CC(=O)N1CCC(Cc2ccc(F)cc2)(C(=O)N2CCC[C@@H](c3cncc(C)n3)C2)CC1 257342367 ZOHGXSSDTBZYOW-OAQYLSRUSA-N 438.547 3.502 0 40 IHAB C[C@H](N[C@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)c1ccc(F)c(F)c1 57381170 FVLLPSGGVACGMG-NWDGAFQWSA-N 445.919 3.546 0 40 IHAB O=C(NC1CCCCC1)[C@H](c1cccnc1)N(CCc1ccccc1)C(=O)c1csnn1 12872593 OXXJIDCYAAHGAZ-QFIPXVFZSA-N 449.580 3.808 0 40 IHAB COc1ccc(OC)c(-c2csc3nnc(SCC(=O)NCc4ccccc4)n23)c1 12878860 GRAPWAFTRJITQD-UHFFFAOYSA-N 440.550 3.884 0 40 IHAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)OCC(=O)c2cc(C)ccc2OC(F)F)c1 13014804 XERITWAIHNFUES-UHFFFAOYSA-N 434.395 3.553 0 40 IHAB COc1ccc(OC)c(NC(=O)[C@H]2C[C@H]3CCCN3[C@@]23C(=O)Nc2c(C)cc(C)cc23)c1 15972784 LLXSEQNQXCDXQL-DNHRDODTSA-N 435.524 3.591 0 40 IHAB O=C(c1ccc2ccccc2c1)[C@H]([C@H](c1ccccc1)N1CCOCC1)N1CCOCC1 19366038 CQVAZCMDGXTNBW-UIOOFZCWSA-N 430.548 3.797 0 40 IHAB CCNC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CN(C(=O)c2ccccc2)CCO1 19529268 ITUWJPSKFMRYPW-HHHXNRCGSA-N 428.532 3.944 0 40 IHAB C=Cn1ncc(CN2CCC(C[C@H]3CC(c4ccccc4F)=NO3)(C(=O)O)CC2)c1C 19554342 ZHWYYOBTIQJROH-GOSISDBHSA-N 426.492 3.681 0 40 IHAB Cc1cccn2cc(C(=O)N3CC[C@@H](c4nc(N(C)C)ncc4-c4cccc(F)c4)C3)nc12 19695048 ASAVCYMFINGYAS-GOSISDBHSA-N 444.514 3.935 0 40 IHAB CNc1cc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(CN(C)C(=O)C2CCCCC2)n1 19700975 QBMDVKSKZQFHBC-QGZVFWFLSA-N 439.535 3.717 0 40 IHAB Cc1nc([C@@H]2CCCN(CC(=O)Nc3ccc4ncccc4c3)C2)nc2c1CCCN2C 19706986 BPDAFINCMYIQOT-LJQANCHMSA-N 430.556 3.534 0 40 IHAB CNC(=O)c1sc2ccccc2c1[C@@H]1CN(Cc2cccc(OCCOC)c2)CCO1 19697614 LDSRUAXBHGOLSC-FQEVSTJZSA-N 440.565 3.860 0 40 IHAB Cc1cccc2c1NCC[C@H]1CC[C@@H](CN(C(=O)CCc3nnc(C(C)C)o3)C2)N1C 643574137 DWUKIEMXAPCVMN-UXHICEINSA-N 425.577 3.741 0 40 IHAB CCN1CCN(C(=O)Cc2ccccc2)C[C@@H](Cc2cccc(-c3ccncc3)c2)C1=O 19527582 YTTQXBBPZNTBNE-RUZDIDTESA-N 427.548 3.841 0 40 IHAB Cc1nonc1CC(=O)NC[C@H]1CC[C@H](c2nc(C(C)C)ncc2-c2ccccn2)CC1 257224360 FBMZUEBBKKJJFR-IYARVYRRSA-N 434.544 3.986 0 40 IHAB CC(C)CN1C[C@@]2(CN(C(=O)CCC(=O)O)C[C@@H]2c2ccccc2)N(c2ccccc2)C1=O 1848354907 QNZPOZCWZUKUGM-ATIYNZHBSA-N 449.551 3.814 0 40 IHAB CCCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(NC(=O)C(C)C)cc3)ccc21 8840586 AOFXKJGTHCQQBJ-UHFFFAOYSA-N 429.542 3.771 0 40 IHAB CCCCOc1ccc(N2C[C@H](C(=O)NCCc3ccc(OC)c(OC)c3)CC2=O)cc1 8989737 FBVUVVRHMFNXKZ-LJQANCHMSA-N 440.540 3.595 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)CN(C(=O)c1ccco1)CC2 8977181 RMGMBXUNQNUERH-UHFFFAOYSA-N 426.494 3.596 0 40 IHAB CCN(CC)CCCn1c2c(c(SCC(=O)Nc3cccc(Cl)c3)nc1=O)CCC2 9746145 UOKWNAUVNIAMHL-UHFFFAOYSA-N 449.020 3.848 0 40 IHAB CCN(CC)c1ccc(NC(=O)N[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c(C)c1 9829800 GMXQUITWOGBFKN-KRWDZBQOSA-N 438.528 3.539 0 40 IHAB Cc1ccccc1-n1ncc2c(=O)n(CC(=O)Nc3ccc(C(F)(F)F)cc3)cnc21 12237638 MDYZHAYYRYRXHZ-UHFFFAOYSA-N 427.386 3.548 0 40 IHAB CCCCc1c(-c2ccccc2)n(-c2ccccc2)c2nc3c(c(=O)n(C)c(=O)n3C)n12 15081266 XBCSNLQFTNSPKA-UHFFFAOYSA-N 427.508 3.685 0 40 IHAB COc1ccc(C(=O)NCc2nnc(S)n2-c2ccc(Cl)c(Cl)c2)cc1OC 16959650 IYOYTVZNGVHBJQ-UHFFFAOYSA-N 439.324 3.810 0 40 IHAB O=C(c1ccco1)N1CCN(Cc2cc(=O)c(OCc3cccc4ccccc34)co2)CC1 22852837 HWFJMEAWBVAXSM-UHFFFAOYSA-N 444.487 3.923 0 40 IHAB O=C(Cc1ccccc1)N(CCCN1CCOCC1)c1nc2c(F)cc(F)cc2s1 22997784 KIJAGERVXHLSPW-UHFFFAOYSA-N 431.508 3.873 0 40 IHAB Cc1cc(C)n([C@H](CNS(=O)(=O)c2ccccc2Br)c2ccsc2)n1 575613683 KCOYQKWWRJPNOP-MRXNPFEDSA-N 440.388 3.892 0 40 IHAB COc1c(C)cnc(CN2CCN([C@@H](C(=O)O)c3c[nH]c4cc(Cl)ccc34)CC2)c1C 31811091 XIXNXDBRSAKQSA-OAQYLSRUSA-N 442.947 3.785 0 40 IHAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(Br)c(C)c3)n2N)c1 686805 SROZECZQFUEOBT-UHFFFAOYSA-N 432.347 3.769 0 40 IHAB O=C(Nc1ccc(I)cc1)[C@H]1CCCN1C(=O)c1cccs1 858128 DJXIDXJNZNOLFN-CYBMUJFWSA-N 426.279 3.596 0 40 IHAB COc1ccc2cc(CN(C[C@H]3CCCO3)C(=S)NC3CCCCC3)c(=O)[nH]c2c1 879775 CHHGEQZQTFIHIY-HXUWFJFHSA-N 429.586 3.725 0 40 IHAB Fc1ccc(NCc2nnc(SCCN3CCOCC3)n2Cc2ccccc2)cc1 917000 SYZLDOZMGOODDD-UHFFFAOYSA-N 427.549 3.502 0 40 IHAB Cc1ccc(-n2c(SCC(=O)NC[C@@H]3CCCO3)nc3c([nH]c4ccccc43)c2=O)cc1 2720673 UBWIQKHYJWZFOW-KRWDZBQOSA-N 448.548 3.563 0 40 IHAB CCOC(=O)c1c(NC(=O)[C@H](C)OC(=O)c2ccc(O)cc2)sc2c1CC[C@@H](C)C2 3312982 IYEIKIUPQJNBJY-OLZOCXBDSA-N 431.510 3.939 0 40 IHAB O=C(NC(=S)Nc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(Br)o1 8722839 RHWRQWKDXRFMEC-ZDUSSCGKSA-N 425.304 3.727 0 40 IHAB C[C@@H](NC(=O)CN1C(=O)N[C@]2(CCCc3sccc32)C1=O)c1cccc2ccccc12 8771001 BMUNLFIZXPIRBM-MYYSRTQBSA-N 433.533 3.862 0 40 IHAB COc1cccc(NC(=O)CSc2nnc(NC(=O)c3c(F)cccc3F)s2)c1 8822687 QZLQGOIUKKLDMA-UHFFFAOYSA-N 436.465 3.808 0 40 IHAB CN(Cc1ccccc1)C(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1N 9119505 ZXJRHDJCVYFOOJ-UHFFFAOYSA-N 436.562 3.590 0 40 IHAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N(Cc2cccs2)C[C@H]2CCCO2)c1 9125056 VDCOPGWTIZXQIU-GOSISDBHSA-N 436.599 3.600 0 40 IHAB CN(C)S(=O)(=O)c1ccc(SCC(=O)Nc2ccccc2Cc2ccccc2)nc1 9126973 AZGRNTYNEUQFBV-UHFFFAOYSA-N 441.578 3.654 0 40 IHAB COc1ccc(OC)c([C@H]2Oc3ccccc3C3=C2[C@@H](c2cccnc2)N2N=CNC2=N3)c1 9291929 UEEWQXWRWFFPTO-DNQXCXABSA-N 439.475 3.903 0 40 IHAB COc1ccc(Cl)c2sc(N(CCN(C)C)C(=O)[C@H]3COc4ccccc4O3)nc12 9452428 XFIFGZBABGZVMD-QGZVFWFLSA-N 447.944 3.693 0 40 IHAB Cc1nc(COC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCC2)cs1 9461942 FVKWDZVQQAFSOR-UHFFFAOYSA-N 449.598 3.583 0 40 IHAB O=C(c1ccc(CS(=O)(=O)c2ccccc2)o1)N1CCN(c2cccc(Cl)c2)CC1 9693885 BCWYTOYNDHSHNP-UHFFFAOYSA-N 444.940 3.869 0 40 IHAB CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OCc1ccc(Br)cc1 9761880 FOIGBDYWOGWKBM-UHFFFAOYSA-N 429.270 3.751 0 40 IHAB Cc1ccccc1Nc1nc(N)nc(CSc2nnc(-c3ccc4c(c3)OCO4)o2)n1 9847225 BPTXETMTCLZCFQ-UHFFFAOYSA-N 435.469 3.577 0 40 IHAB O=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)[C@@H]1CCCN1C(=O)c1cccs1 9962998 IWZJZJVASCQQEY-HNNXBMFYSA-N 435.431 3.591 0 40 IHAB CCOCCn1ccc2c(OCC(=O)Nc3ccc(Br)cc3)cccc2c1=O 10166600 GYFYFNADBGIQTK-UHFFFAOYSA-N 445.313 3.818 0 40 IHAB Cc1onc(-c2ccccc2)c1-c1nnc(COC(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)o1 10954946 ZJERFRSTGPBPQH-SPLOXXLWSA-N 433.420 3.972 0 40 IHAB O=C(CSc1ncnc2c1nnn2Cc1ccccc1F)Nc1ccc(Cl)cc1 11758519 RIOPICWNIVIOMK-UHFFFAOYSA-N 428.880 3.793 0 40 IHAB COc1cc(CN2[C@H]3CC[C@@H]2CC(O)(Cn2ccc4ccncc42)C3)cc(OC)c1OC 12088939 BJZCRSFQUBCGSN-WPUZRXDDSA-N 437.540 3.620 0 40 IHAB Cc1cc2nc(C3CCN(C(=O)Cc4ccc5c(c4)OCO5)CC3)cc(C(F)(F)F)n2n1 12186715 MSKMEMCPQIYQQD-UHFFFAOYSA-N 446.429 3.734 0 40 IHAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)OCC(=O)Nc1ccc(N2CCCC2)cc1 12523367 GBLATEQGOSOREI-UHFFFAOYSA-N 432.524 3.944 0 40 IHAB O=C(Nc1ccc(N2CCCCCC2)cc1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 12587527 WFXZRVQYYSYJFS-JOCHJYFZSA-N 445.560 3.998 0 40 IHAB NS(=O)(=O)c1ccc(Cl)c(C(=O)OCc2csc(-c3ccc(F)cc3)n2)c1 12692439 JJAMFWYOMWCDMI-UHFFFAOYSA-N 426.878 3.607 0 40 IHAB CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)CC1 12977532 SSRMCDCQXCCBIR-UHFFFAOYSA-N 443.594 3.887 0 40 IHAB COc1ccc(C(C)=O)c(OC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)c2)c1 13059750 NBXQZIQUHQYXJS-IYBDPMFKSA-N 445.537 3.784 0 40 IHAB COc1ccc(N2C[C@H](c3nnc(NC(=O)c4cccc(Cl)c4)s3)CC2=O)cc1 13944269 QENUBEAULAWPHY-CYBMUJFWSA-N 428.901 3.973 0 40 IHAB CN1[C@H]2CC[C@@H]1CC(NC(=O)c1cc3nc(-c4ccccc4)cc(C(F)(F)F)n3n1)C2 13959850 HPUNQYQNIBZPNU-MQVJKMGUSA-N 429.446 3.770 0 40 IHAB CCOc1ccc(NC(=O)COc2ccc(C(=O)Nc3nccs3)cc2OC)cc1 14111724 LETUTRINVFSNQJ-UHFFFAOYSA-N 427.482 3.820 0 40 IHAB CCn1c(SCC(=O)Nc2cc(NC(C)=O)ccc2OC)nnc1-c1cccs1 14793199 VNUIEFGINRDQCZ-UHFFFAOYSA-N 431.543 3.724 0 40 IHAB CCOC(=O)c1sc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2C)C3=O)nc1C 14865806 TWIRNOPDYZIFAB-UHFFFAOYSA-N 449.488 3.990 0 40 IHAB Cc1sc2nc([C@@H](C)N3CCC(C(=O)Nc4ccccc4O)CC3)[nH]c(=O)c2c1C 15507437 ZMXXJYJLKPUUJJ-CYBMUJFWSA-N 426.542 3.719 0 40 IHAB Cc1ccc(-c2cc(N)c(=O)n([C@H](C)C(=O)N3CCC(Cc4ccccc4)CC3)n2)s1 19217467 UWSBWMUNIOTPBC-QGZVFWFLSA-N 436.581 3.905 0 40 IHAB COCC(=O)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2cnc(-c3ccccc3C)nc2)C1 19237550 WYWPOPFFKUAXBD-BWKNWUBXSA-N 445.567 3.563 0 40 IHAB Cc1cc(C)n([C@@H](C)CC(=O)N2C[C@@H](c3cc(F)cc(F)c3)[C@@]3(CCCCC(=O)N3)C2)n1 19572994 KKTRZGKJKOZDNU-CODAWKSHSA-N 444.526 3.784 0 40 IHAB CN(C)C(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)c2cccnc2N)C1 19579396 DVFLVEQGEFBPDK-VWLOTQADSA-N 448.592 3.946 0 40 IHAB COc1ccc(C(=O)N2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccncc2)c(OC)c1 19585252 AKXXYYFBRTWLMN-NRFANRHFSA-N 447.539 3.989 0 40 IHAB COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCCN2C(=O)c2cnc(C)nc2C)c1 19690082 JWEVTNAFNCCETL-OAQYLSRUSA-N 432.528 3.602 0 40 IHAB COc1ccc(-c2nc(C3CCN(C(=O)c4cc5ccccc5o4)CC3)[nH]c2C(N)=O)cc1 19696934 MWAYALWDQRHJPW-UHFFFAOYSA-N 444.491 3.950 0 40 IHAB COc1ccc(-c2nc([C@@H]3CCCN(C(=O)Cc4ccc(C)c(C)c4)C3)[nH]c2C(N)=O)cc1 19698966 NXXZBSAESXKDHP-HXUWFJFHSA-N 446.551 3.750 0 40 IHAB CCCc1cc(C(=O)N2CCO[C@@H](c3c(C(=O)NC(C)C)sc4ncccc34)C2)no1 19702870 XFIYDAHPPPBOPR-QGZVFWFLSA-N 442.541 3.589 0 40 IHAB C[C@]1(C2CCN(CC(=O)N3CCCCC3)CC2)CCCCN(CCc2ccccc2)C1=O 19744118 RNKGPOPFSFXPAZ-HHHXNRCGSA-N 439.644 3.972 0 40 IHAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCc3cccc(OC(C)C)c3)CC2)cc1 20490787 RFFKGEXWJQTYEZ-UHFFFAOYSA-N 444.597 3.640 0 40 IHAB Clc1ccc([C@@H]2N=C3NCN(Cc4cccnc4)CN3c3nc4ccccc4n32)cc1 20556167 COOXSEQQDGJHAH-OAQYLSRUSA-N 429.915 3.828 0 40 IHAB CC(C)(C)C1CCC(OC[C@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)CC1 22870680 OHWUNHLRNJKUGO-ATKRNPRHSA-N 432.605 3.515 0 40 IHAB COc1ccc(-c2nc(COC(=O)c3ccccc3S(C)(=O)=O)cs2)cc1OC 23974880 YAHRFGQUWNITEB-UHFFFAOYSA-N 433.507 3.588 0 40 IHAB COc1cc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCN(C)C)ccc1O 32622868 UWZPSEVPGBWHBL-FQEVSTJZSA-N 442.899 3.658 0 40 IHAB CSCc1nnc(SCC(=O)N2CCN(Cc3cccc4ccccc34)CC2)o1 32860382 HTNXPMBFHCSNKN-UHFFFAOYSA-N 428.583 3.522 0 40 IHAB Cc1nc(-c2cc(C)n(CC(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)c2C)cs1 32902869 DJSZGLZEXIKCRE-UHFFFAOYSA-N 444.582 3.715 0 40 IHAB C[C@H](NC(=O)c1ccccc1F)c1nnc(SCC(=O)Nc2ccccc2Cl)n1C 33367221 KOASBSNSDBPNFN-LBPRGKRZSA-N 447.923 3.829 0 40 IHAB CCn1c(SCC(=O)c2ccc3c(c2)OCCO3)nc2sc3c(c2c1=O)CCC3 35586344 AAOADKHNFOGATJ-UHFFFAOYSA-N 428.535 3.713 0 40 IHAB Cc1c(C(=O)OCC(=O)N(C)CC(=O)Nc2ccccc2Cl)oc2c(F)cccc12 36775432 PEHVMPGWWQWWHX-UHFFFAOYSA-N 432.835 3.788 0 40 IHAB CC1CCC(NC(=O)COC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCc3ccccc32)CC1 39639711 KSJOLOPKRGCWDJ-CGNZLSCGSA-N 426.557 3.620 0 40 IHAB Cc1nc(-c2ccc(CCNS(=O)(=O)c3ccc4oc(=O)ccc4c3)s2)cs1 40058640 HLTMCJYMUUPZKH-UHFFFAOYSA-N 432.548 3.807 0 40 IHAB CCc1ccc(NC(=O)Cn2c(=O)n(Cc3ccc(C)cc3)c(=O)c3ccccc32)cc1 40478438 ZLRBFPIRQIIRRV-UHFFFAOYSA-N 427.504 3.721 0 40 IHAB C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CCO[C@H](c2ccc(Cl)cc2)C1 48249484 MEMQQBUOSZAGAU-DVECYGJZSA-N 442.003 3.883 0 40 IHAB COc1cccc(-n2nnc(C(=O)NCc3ccc(SC)cc3)c2-c2cccnc2)c1 49003633 GUNRXMGOPGZSJV-UHFFFAOYSA-N 431.521 3.990 0 40 IHAB COc1ccc(-c2noc(C3CCN(CC(=O)Nc4cc(F)cc(F)c4)CC3)n2)cc1 49403476 OQROJNJTLXUTBM-UHFFFAOYSA-N 428.439 3.842 0 40 IHAB COc1ccc(N(Cc2ccccc2F)S(=O)(=O)c2ccc3nnc(C)n3c2)cc1 49408335 JQIHNFGNCBTJAK-UHFFFAOYSA-N 426.473 3.581 0 40 IHAB CCOc1ccc(-n2c(SCC(=O)Nc3ccccc3CC)nc3[nH]ncc3c2=O)cc1 51316430 TVELASYBHNLTPH-UHFFFAOYSA-N 449.536 3.801 0 40 IHAB C[C@@H]1CC[C@@H]2N(C[C@@H]3[C@H](CC[C@H]4[C@@H]5C[C@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]43)[C@]2(C)O)C1 56874812 IUKLSMSEHKDIIP-SWOAVMBCSA-N 431.661 3.678 0 40 IHAB in-vitro CC(C)(C)NS(=O)(=O)c1ccccc1NC(=O)c1ccc(F)cc1Br 58154190 JMUWDAOCJYAIEY-UHFFFAOYSA-N 429.311 3.917 0 40 IHAB O=C(Cn1c(=O)cc(-c2nc(C3CC3)no2)c2ccccc21)NCc1cccc(Cl)c1 65154442 NCYPLSPWCYWQRT-UHFFFAOYSA-N 434.883 3.899 0 40 IHAB Cc1ccc(Sc2nccn3c(=O)n(CC(=O)Nc4c(C)cccc4C)nc23)c(C)c1 67255616 LOGBQVOPPNRDIQ-UHFFFAOYSA-N 433.537 3.915 0 40 IHAB COc1ccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(=O)c4cnccn4)C=C3C)nc2n1 72320892 QAFQMIZJJVPSBQ-BZSNNMDCSA-N 434.544 3.584 0 40 IHAB biogenic,in-vitro C[C@H]1Cc2ccccc2N1C(=O)CN1CCC(n2c(=O)oc3ccc(Cl)cc32)CC1 72347892 QVWQRFUSMJUCPI-HNNXBMFYSA-N 425.916 3.863 0 40 IHAB Cc1csc([C@@](O)(CC(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)C(F)(F)F)n1 84268106 CDNCBYVBOXVLNC-YOEHRIQHSA-N 434.867 3.845 0 40 IHAB O=C(C[C@H]1CC2(CCN(S(=O)(=O)c3cccs3)CC2)c2ccccc21)N1CCCC1 96242086 YVVIUEMRSMZODM-SFHVURJKSA-N 444.622 3.970 0 40 IHAB COc1ccc(-n2nc3c4cc(C(=O)NCc5cccs5)ccc4[nH]cc-3c2=O)cc1 101281830 RJINVHMOIRNJGG-UHFFFAOYSA-N 430.489 3.819 0 40 IHAB COc1ccc(OC)c(NC(=O)c2cccc(N3C(=O)[C@@H]4[C@@H]5C=C[C@H]([C@H]6C[C@@H]65)[C@H]4C3=O)c2)c1 102645147 QXSLRTUWBUCMBW-VMOSYGLWSA-N 444.487 3.514 0 40 IHAB COc1ccc(OC)c([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccccc2)c1 102734991 VQCOQBCTHBUVPH-DNVJHFABSA-N 448.450 3.894 0 40 IHAB CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccccc1OC 222731504 VJVUHTCWNHPUDG-ZDUSSCGKSA-N 425.312 3.544 0 40 IHAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-n3cnnc3)c2C)c1 224228128 GHDDGPYJRLYATD-FCHUYYIVSA-N 429.553 3.888 0 40 IHAB COc1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NCC(C)C)cc1OC 224307551 YBQDZBRUAKURPX-SFHVURJKSA-N 444.547 3.965 0 40 IHAB O=C(Nc1nnc(S(=O)(=O)NCCC2=CCCCC2)s1)c1ccc(Cl)cc1 224542041 LKRAKVOIROIXSB-UHFFFAOYSA-N 426.951 3.613 0 40 IHAB Cc1cccc(OCCNC(=O)CCCN(c2ccccc2C(C)C)S(C)(=O)=O)c1 224839037 HNGFLZQXKYBGAA-UHFFFAOYSA-N 432.586 3.860 0 40 IHAB CCCC[C@@H](CC)CNS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1 225121023 CWORIIDGCNHYDD-GFCCVEGCSA-N 430.983 3.939 0 40 IHAB CCSc1nnc(NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)s1 225605320 RGRVRHCHKTWOQX-UHFFFAOYSA-N 448.595 3.869 0 40 IHAB CC(C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1ccc(Br)cc1 225692627 VNKMRWSCAHMFOB-QGZVFWFLSA-N 447.373 3.812 0 40 IHAB COc1ccc2cc(C(=O)NC3CCN(c4cc(C(F)(F)F)nc(C)n4)CC3)[nH]c2c1 225725622 BMMGUBLIQGWAFG-UHFFFAOYSA-N 433.434 3.693 0 40 IHAB Cc1cc(C)cc(N(CN2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)C(=O)c2ccccc2)c1 226399578 RFLOBBOLLYLZCN-JHXGOWNISA-N 426.516 3.961 0 40 IHAB O=S(=O)(N[C@@H](Cn1nccn1)c1ccccc1)c1ccc(Cl)c(C(F)(F)F)c1 238839110 HKUXDBFYYWADSE-INIZCTEOSA-N 430.839 3.670 0 40 IHAB Cc1ccc(C2(C(=O)N3CCC[C@H](Cc4cn5ccnc5cn4)CC3)CCOCC2)cc1 257280098 OJLAAGCPXSOLOK-NRFANRHFSA-N 432.568 3.957 0 40 IHAB Cn1nc(C(C)(C)C)cc1C(=O)N1CCNC(=O)[C@@H]1Cc1ccc(-c2cccs2)cc1 257309777 UCIDYMFQQGOZHJ-SFHVURJKSA-N 436.581 3.629 0 40 IHAB COc1cccc([C@@H]2C[C@]3(C)NC(=O)CCCC[C@@H]3N2CC(=O)NC2CCCCC2)c1 257314246 UWACJCPMMBAIOR-HWBMXIPRSA-N 427.589 3.708 0 40 IHAB CS(=O)(=O)c1cn[nH]c1C[C@H]1CCCN(C(=O)c2ccccc2Nc2ccccc2)C1 257317099 VIKNRUQMTITHQY-QGZVFWFLSA-N 438.553 3.652 0 40 IHAB CN(CC(=O)N1[C@@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C)Cc1cccnc1 257344057 ZVPLCKVYENNWRH-WOKGGPCBSA-N 432.612 3.598 0 40 IHAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2C[C@H]2CCCO2)N1c1ccc2c(c1)OCO2 260922591 QEKBBRJTRDFBFL-ZQMYSKGWSA-N 448.548 3.968 0 40 IHAB O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)Nc1ccc(F)cc1F 408557042 LVJHBDZZKHRUBK-UHFFFAOYSA-N 444.459 3.734 0 40 IHAB CC(C)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 408610049 URWCNXABLKQPOX-CYBMUJFWSA-N 430.448 3.798 0 40 IHAB CC(C)c1ccc(N(CC(=O)Nc2ccccc2C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 408611149 SFBGAKKDZLVRTE-UHFFFAOYSA-N 445.585 3.743 0 40 IHAB CC(=O)Nc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccccc2Cl)cc1 408664681 JLEHJTOVDQVTRG-UHFFFAOYSA-N 431.876 3.589 0 40 IHAB CCc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCCCc2ccccc2)cc1 408709511 CBKPNTOLUMMGOH-UHFFFAOYSA-N 443.547 3.867 0 40 IHAB CCOc1cc(C=O)cc(I)c1OCc1ccc2c(c1)OCO2 408851939 BXQRQOQKEDKENZ-UHFFFAOYSA-N 426.206 3.810 0 40 IHAB O=C(Nc1ccccc1)Nc1cccc2c1CCN(C(=O)[C@]13[C@H]4C(=O)[C@H]5[C@H]6C[C@@H]([C@@H]51)[C@@H]3[C@H]64)C2 503605124 RXIFRKXQRFMSTM-QBDLSUMKSA-N 439.515 3.542 0 40 IHAB CCN1CCN([C@H](C)CNc2nc(COC)nc3scc(-c4ccccc4)c23)CC1 60277695 WEKNHCXPEBJOQV-QGZVFWFLSA-N 425.602 3.943 0 40 IHAB O=C(Nc1cccc(-c2nnco2)c1)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 32777339 JEPCFRSZUJAPAA-OAQYLSRUSA-N 438.443 3.583 0 40 IHAB O=C(OCC(=O)N1CCCc2ccccc21)c1nn(-c2ccccc2)c(=O)c2ccccc12 2629869 DPFODWFYMTUYGO-UHFFFAOYSA-N 439.471 3.522 0 40 IHAB O=C(NCCc1ccc2c(c1)OCCO2)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1 32784225 ZGCGIEUGHVYKBJ-OAQYLSRUSA-N 444.531 3.822 0 40 IHAB COc1ccc(-n2cc(-c3ccccc3)c3c(N4CCC(C(N)=O)CC4)ncnc32)cc1 1447723 TVVVWNZEHLRSOB-UHFFFAOYSA-N 427.508 3.798 0 40 IHAB Cc1nc2ccc(C(=O)N3CCC(C(=O)c4ccc5c(c4)OCCO5)CC3)cc2nc1C 32889418 ACDDMULHQIYDOS-UHFFFAOYSA-N 431.492 3.753 0 40 IHAB COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3CCCC[C@@H]3C)cc2c1 6283250 CPEBGTAZKBMUOX-SBUREZEXSA-N 444.539 3.535 0 40 IHAB CCN(C(=O)Cn1c(=O)n(-c2cc(C)cc(C)c2)c(=O)c2ccccc21)c1ccccc1 51316088 FGLTVYORUBVBAW-UHFFFAOYSA-N 427.504 3.822 0 40 IHAB COc1cc(-c2nnc(SCC(=O)Nc3cccc(C)c3)n2C)cc(OC)c1OC 676443 OXBXNRCJKYTDHU-UHFFFAOYSA-N 428.514 3.547 0 40 IHAB CCOC(=O)[C@@H]1[C@@H]2NC(=S)N(c3ccc(F)cc3)[C@]1(C)Oc1c(OCC)cccc12 100029683 UKBLHBSJXGUZNM-NJNPRVFISA-N 430.501 3.948 0 40 IHAB O=C(CCN1C(=O)c2ccc(Br)cc2C1=O)NC12CC3CC(CC(C3)C1)C2 22560259 NTMFFVBNBUMEEL-UHFFFAOYSA-N 431.330 3.520 0 40 IHAB COC(=O)c1c(COC(=O)c2ccc(CNC(=O)NC(C)C)cc2)nc2ccccc2c1C 9222695 MCVVOWQKYWALJE-UHFFFAOYSA-N 449.507 3.894 0 40 IHAB Cc1ccc(Cn2c(SCc3ccc(Cl)cc3)nc3c2c(=O)[nH]c(=O)n3C)cc1 850866 GACDSWQMTHFUOV-UHFFFAOYSA-N 426.929 3.726 0 40 IHAB COc1ccc2[nH]c(C)c(CCNC(=O)Cn3nc(C(F)(F)F)c4c3CCCC4)c2c1 974272 QTQYVBPUDGZCEZ-UHFFFAOYSA-N 434.462 3.938 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](C)c3ccc(F)cc3)C2)cc1 22540179 ILTPSHFQQZMQTK-FUHWJXTLSA-N 434.533 3.503 0 40 IHAB C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@]4(O)[C@@H](C[C@H]5[C@H]4C[C@@H](O)[C@H]4C[C@H](O)CC[C@@]45C)[C@@H]3CN2C1 28539600 NQGYOUYEGZOZBN-QAJIXOGVSA-N 431.661 3.678 0 40 IHAB biogenic COC(=O)c1cc(CNC(=O)Cn2c(Cc3ccccc3)nc3ccccc32)ccc1OC 12547704 RIDINJPPRNZBRF-UHFFFAOYSA-N 443.503 3.739 0 40 IHAB CCc1ccc(CN(Cc2cccnc2)S(=O)(=O)c2ccc(CNC(C)=O)cc2)cc1 12552365 QKMUOFZMTXEMDS-UHFFFAOYSA-N 437.565 3.671 0 40 IHAB Cc1ccc(NC(=O)N(CCCCO)C2CC2)cc1NC(=O)N(CCCCO)C1CC1 72288960 ZDUIGQYUDVDCPQ-UHFFFAOYSA-N 432.565 3.533 0 40 IHAB O=C(O)COc1ccccc1[C@H]1Nc2ccccc2C(=O)N1Cc1ccc2c(c1)OCO2 12542085 QVCUVPLSNPPECS-QHCPKHFHSA-N 432.432 3.645 0 40 IHAB COc1cc(C(=O)N2CCCCCC2)c(N(Cc2ccccc2)S(C)(=O)=O)cc1OC 22253624 NPWMBIHIXSEUJG-UHFFFAOYSA-N 446.569 3.686 0 40 IHAB CC(C)(C)c1cc(NC(=O)c2ccc(Br)s2)n([C@H]2CCS(=O)(=O)C2)n1 26492845 MTEGISDUBFIYQO-JTQLQIEISA-N 446.392 3.617 0 40 IHAB Cc1c(NC(=O)[C@@H](C)OC(=O)c2cc3ccccc3cc2O)c(=O)n(-c2ccccc2)n1C 3253277 LIEQFBKJOQBDNB-MRXNPFEDSA-N 445.475 3.527 0 40 IHAB COc1ccc(-n2nnnc2C2(Nc3ccc4c(c3)OCCO4)CCCCC2)cc1OC 35622300 ZGUNBKYLWICYJI-UHFFFAOYSA-N 437.500 3.722 0 40 IHAB COc1cc(C)c(NCC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cc1OC 12609532 PPICYHPYQFSMAR-UHFFFAOYSA-N 435.406 3.662 0 40 IHAB CSCC[C@H](NC(=O)COc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1 27400588 OHROTIONZZEGSB-KRWDZBQOSA-N 426.460 3.961 0 40 IHAB C[C@@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)c1n[nH]c(=O)c2ccccc12)OCCO3 10367508 XJGMICFZXVPTCA-OAHLLOKOSA-N 431.492 3.723 0 40 IHAB COc1cc(F)c(S(=O)(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1OC 27956589 CKCMHJLETOOIAL-MRXNPFEDSA-N 437.489 3.530 0 40 IHAB Cc1ccc([C@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)c(C)c1 113947916 DLRYQFWSNHGVQR-SFHVURJKSA-N 432.561 3.862 0 40 IHAB Nc1c(C(=O)NCCCc2ccccc2)c2nc3ccccc3nc2n1C[C@@H]1CCCO1 2329003 ZGHJNPVJWXZCOR-SFHVURJKSA-N 429.524 3.708 0 40 IHAB O=C(COc1ccccc1Cc1ccccc1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 12776253 BXZSYHJCNDVUQS-QFIPXVFZSA-N 427.566 3.615 0 40 IHAB CCOC(=O)Cc1csc(NC(=O)COc2c(C)cc(Br)cc2Cl)n1 11167889 SMZLLNCUOQKMDD-UHFFFAOYSA-N 447.738 3.991 0 40 IHAB C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 59370098 BMQPUKFNHSTVLQ-FQEVSTJZSA-N 449.576 3.687 0 40 IHAB C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)COc1ccc2nc3n(c(=O)c2c1)CCCCC3 12898843 DQUGLYWBNIXBIT-KRWDZBQOSA-N 444.535 3.730 0 40 IHAB biogenic COc1cc(C(=O)OCc2cc(=O)n3c(n2)sc2ccccc23)ccc1OC(F)F 3437421 TUAXIZVLSJBIHU-UHFFFAOYSA-N 432.404 3.876 0 40 IHAB Cc1ccccc1N1C(=O)c2ccc(C(=O)OCC(=O)N3[C@H](C)CCC[C@H]3C)cc2C1=O 3475621 OQJHUWATHGEELM-IAGOWNOFSA-N 434.492 3.742 0 40 IHAB CCc1ccc(-c2csc(NC(=O)CCN3C(=O)NC4(CCCCC4)C3=O)n2)cc1 12922547 UGAHASHXODSHMZ-UHFFFAOYSA-N 426.542 3.956 0 40 IHAB C[C@H](NC(=O)CN(C)CC(=O)Nc1ccccc1Br)c1ccc(Cl)cc1 13061067 OJKREUWTEIIUHK-ZDUSSCGKSA-N 438.753 3.850 0 40 IHAB CC(C)[C@H](C)NC(=O)CSc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2 13131118 IOMFEADZECONSG-INIZCTEOSA-N 438.553 3.975 0 40 IHAB Cc1ccc(Sc2nccn3c(=O)n(CC(=O)Nc4cccc(Cl)c4)nc23)c(C)c1 49009046 LSPAPEDDRRLWRQ-UHFFFAOYSA-N 439.928 3.951 0 40 IHAB CCn1c(SCC(=O)N[C@@H]2CCCC[C@@H]2C)nnc1[C@H](C)NC(=O)c1ccc(C)cc1 409132006 KKQFXWWYSOEZRU-JENIJYKNSA-N 443.617 3.884 0 40 IHAB CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)c1oc2c(F)cccc2c1C 39996836 VQGJTTOHJZWMRY-UHFFFAOYSA-N 439.443 3.796 0 40 IHAB CCc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3cc(C)ccc3C)c(=O)n2C)cc1 9009719 DLRMNSPIEDKJCI-UHFFFAOYSA-N 443.551 3.666 0 40 IHAB CCC(CC)C(=O)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2CCCc2ccccc2)cc1 67896600 UNKCKNGWHWCLBX-ILBGXUMGSA-N 438.568 3.955 0 40 IHAB biogenic,in-vitro O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1cc(-c2ccccc2O)n[nH]1 9243418 YHZKUKFLWFVXPH-UHFFFAOYSA-N 440.525 3.599 0 40 IHAB O=C(c1cccc(Cl)c1)N(Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 9346066 UAKWBLURUDZCHK-KRWDZBQOSA-N 442.762 3.932 0 40 IHAB C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)Nc2ccccc2N2CCCC2)C1=O 9469600 BHVKCLGORIFLIA-SANMLTNESA-N 442.519 3.846 0 40 IHAB COc1cccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(F)cc2)c1 22380844 ARZHKDPVXNGXRM-UHFFFAOYSA-N 432.448 3.807 0 40 IHAB COC(=O)c1sccc1S(=O)(=O)N(CC(=O)Nc1ccccc1)c1ccc(C)cc1 9646234 QVLNGWANUWJKQU-UHFFFAOYSA-N 444.534 3.677 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3csc(-c4cccs4)n3)CC2)cc1 9783804 OJKQGVPNKAQKGT-UHFFFAOYSA-N 447.607 3.717 0 40 IHAB Cc1[nH]c2ccccc2c1C(=O)C(=O)OCc1cc2c(cc1Br)OCCO2 84027011 AKVGIXWSKWVPEM-UHFFFAOYSA-N 430.254 3.936 0 40 IHAB Nc1nc(Cl)cc(N2CCC[C@@H]2c2nc(Cc3ccc(Br)cc3)no2)n1 95394837 QQBMBALOEJTTDA-GFCCVEGCSA-N 435.713 3.790 0 40 IHAB CCN(CCC1CCN(C(=O)[C@@H](c2ccccc2F)N2CCOCC2)CC1)CC1CC1 95458123 NXHKYOYSNOWUOE-XMMPIXPASA-N 431.596 3.560 0 40 IHAB O=C(Nc1ccnn1-c1ccncc1)C(=O)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 95461344 MSRRCEIDXCTAAR-NRFANRHFSA-N 447.445 3.584 0 40 IHAB COC(=O)c1cc(NC(=O)COc2cc(C)c(Cl)c(C)c2)ccc1N1CCOCC1 9907753 VEQUVWONGPKCQI-UHFFFAOYSA-N 432.904 3.598 0 40 IHAB CC[C@H](NC(=O)CCc1c(C)nc(SC)nc1C)[C@H](c1ccc(C)cc1)n1cncn1 89941928 XCXLOXGFNSGXGW-UNMCSNQZSA-N 438.601 3.832 0 40 IHAB CCOc1ccccc1NC(=O)COC(=O)CCCC(=O)Nc1cccc(C(C)=O)c1 408666484 ZRBNUDAGRJELHG-UHFFFAOYSA-N 426.469 3.579 0 40 IHAB CCN(CC)S(=O)(=O)c1cccc(C2=N/C(=C\c3c(C)[nH]c4ccccc34)C(=O)O2)c1 170651380 WDKVUQKEKLSGJI-STZFKDTASA-N 437.521 3.851 0 40 IHAB COC(=O)c1cccc(NC(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)c1C 408704636 QTCUJDWPOYQPFV-UHFFFAOYSA-N 438.505 3.862 0 40 IHAB CCn1c(=O)n(CCC(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)c2ccccc21 32869020 SRMFWDISYRGOHS-UHFFFAOYSA-N 434.521 3.910 0 40 IHAB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(-c3ccc(C(=O)OC)cc3)o2)NC(=S)N1 408603381 GFZOBRAIMKAEML-LJQANCHMSA-N 428.510 3.869 0 40 IHAB Cc1c(CC(=O)Nc2cccc(OCCN3CCCCC3)c2)c(=O)oc2cc(O)ccc12 524730289 DHTGSUYWVNZCAO-UHFFFAOYSA-N 436.508 3.853 0 40 IHAB biogenic CCc1nnc(Nc2cccc([C@@H]3CCCN(CC(=O)N4CCC(C)CC4)C3)n2)s1 72375957 YKVVYUPGQCDELN-QGZVFWFLSA-N 428.606 3.677 0 40 IHAB Cc1nc(-c2cccs2)c(CC(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)s1 32865732 MBMJASHHQKWPLJ-UHFFFAOYSA-N 433.580 3.802 0 40 IHAB CCn1ncc(-c2cc(C(F)(F)F)c3c(=O)[nH]c(=S)n(CCCOC)c3n2)c1C 36614324 HBFAVZOVIZIFFW-UHFFFAOYSA-N 427.452 3.701 0 40 IHAB CCn1ncc(S(=O)(=O)N2CCC[C@@H](c3cccc(-c4ccc(OC)cc4)n3)C2)c1C 72350178 FGASKDJPNOFZBZ-LJQANCHMSA-N 440.569 3.850 0 40 IHAB O=C(COc1ccc(-c2nc(-c3ccccc3)no2)cc1)N1CCN(c2ccccn2)CC1 32578757 LMBNPBJCDIVWCG-UHFFFAOYSA-N 441.491 3.526 0 40 IHAB CN(C(=O)COc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1)c1ccc(F)cc1 222671514 NYXUZYWXDBSCHA-UHFFFAOYSA-N 442.512 3.688 0 40 IHAB CC[C@H](C(=O)Nc1ccc(OC)c(Cl)c1)N(c1cccc(OC)c1)S(C)(=O)=O 220617983 APLBAMVWISABNV-QGZVFWFLSA-N 426.922 3.541 0 40 IHAB CCOc1ccc(C(=O)NC2CCCC2)cc1CN(c1ccc(F)cc1)S(C)(=O)=O 224798602 UGMWPGXGDVKUBT-UHFFFAOYSA-N 434.533 3.863 0 40 IHAB O=C(NCCO)[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 223421226 IGVPRUKLONPDDT-XMMPIXPASA-N 436.939 3.761 0 40 IHAB COCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1 223062347 LJGBQALFHRAFDH-VWLOTQADSA-N 430.548 3.632 0 40 IHAB COc1cccc(NC(=S)N2CCN(C(=S)Nc3cccc(OC)c3)[C@H](C)C2)c1 40161430 MWAAZYZAYUOLHZ-OAHLLOKOSA-N 430.599 3.804 0 40 IHAB CCOc1cccc(CNC(=O)[C@H](C)N(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c1 220439037 RPPUZNKFTPHIND-ZDUSSCGKSA-N 445.368 3.863 0 40 IHAB CCN1CC[C@]2(CN(Cc3cccnc3)CC23CCN(Cc2ccc(F)cc2)CC3)C1=O 96036468 QHOWOTDPGYPFQG-SANMLTNESA-N 436.575 3.557 0 40 IHAB NC(=O)C[C@]1(COc2cccc(Cl)c2)CN(Cc2ccc(C(F)(F)F)cc2)CCO1 257251203 JPVOGJMZGBUODT-HXUWFJFHSA-N 442.865 3.884 0 40 IHAB Cc1nc(-c2ccc(NC(=O)[C@@H]3CCN(c4ccc(F)c(F)c4)C3=O)cc2Cl)n[nH]1 540512536 YMUBKJXRFQPYNI-AWEZNQCLSA-N 431.830 3.703 0 40 IHAB Cc1nc([C@H]2CCN(C(=O)C3CCCC3)C2)nc2c1CC(=O)N2CCCc1ccccc1 257253589 JZMLBQVXNHOJII-NRFANRHFSA-N 432.568 3.813 0 40 IHAB COc1cccc2c1OC(C)(C)[C@@H]1C[C@H]3[C@@H](CCN3C(=O)CCCc3cn[nH]c3)O[C@@H]21 257277043 NWFUXVWTYAVEPK-MOXWOTFGSA-N 425.529 3.659 0 40 IHAB NS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](CNc3ccc(Cl)cc3)C2)cc1Cl 1156323005 BPJUTMAUQIHMNX-ZDUSSCGKSA-N 442.368 3.605 0 40 IHAB O=C(CCc1cccc(Oc2ccc(F)cc2)c1)N1CC(S(=O)(=O)Cc2ccco2)C1 96122090 MLGCLQUIRVPBBE-UHFFFAOYSA-N 443.496 3.969 0 40 IHAB Cc1cccc(Oc2ccc(S(=O)(=O)N3CC[C@H](S(=O)(=O)C(C)(C)C)C3)cc2)c1 96103452 FHMZIIFZHPXCSI-FQEVSTJZSA-N 437.583 3.764 0 40 IHAB O=S(=O)(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1cc(Br)cnc1Cl 71818561 KGCPYSYJSKYVSR-DZGCQCFKSA-N 449.729 3.835 0 40 IHAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC[C@@H](c3ccco3)N(C)C)ccc2C)cc1 12761205 OUTYTCZQUORLJQ-FQEVSTJZSA-N 441.553 3.730 0 40 IHAB COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CC(=O)c3ccccc3F)C2=O)cc1 13014277 HUIHWYKGRGWHPX-UHFFFAOYSA-N 448.450 3.521 0 40 IHAB C[C@H]1C[C@@H](C)CN(C(=O)Cn2c(SCC(=O)N3CCC[C@@H](C)C3)nc3ccccc32)C1 13082958 VGACNPHYZYEFFK-QRVBRYPASA-N 442.629 3.891 0 40 IHAB CCOc1ccccc1CCCNC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 13671163 WEZZJVMGTDJSKO-UHFFFAOYSA-N 444.597 3.931 0 40 IHAB CC[C@@H](C)NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 15228328 MBUORKWNQNFTTN-NQIIRXRSSA-N 426.513 3.720 0 40 IHAB O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1C(F)(F)F 18160222 FUIPKPXZTHORHQ-UHFFFAOYSA-N 426.460 3.810 0 40 IHAB CC(C)C(=O)N1CCCc2cc([C@H](O)CN3CCN(c4ccc(F)cc4)CC3)ccc21 19085741 WLBFYCOZGIBFSM-XMMPIXPASA-N 425.548 3.617 0 40 IHAB Cc1cc(-c2cccs2)nc([C@H]2CCCN(C(=O)c3cnc4ccccn4c3=O)C2)n1 19117893 PYPIREIUNPMAEZ-INIZCTEOSA-N 431.521 3.541 0 40 IHAB CCn1cc(C(=O)N2CCC(c3nc(N4CCCC4)ncc3-c3cc(C)no3)CC2)c(C)n1 19524446 SCXVSHKBOGPBIM-UHFFFAOYSA-N 449.559 3.585 0 40 IHAB CNC(=O)[C@]1(Cc2ccc(-c3ccccc3)cc2)CCCN(C(=O)Cc2ccccn2)C1 19591139 CQKHBLCQRPXFTJ-MHZLTWQESA-N 427.548 3.889 0 40 IHAB COc1ccccc1NC(=O)c1cc2c(nc1N)CCN(C(=O)CCc1ccccc1F)C2 19701057 SDOQPOOFUNNLGP-UHFFFAOYSA-N 448.498 3.581 0 40 IHAB COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)C[C@H]1C(=O)Nc1cc(Cl)ccc1OC 19819183 RTVDJYKRTLHZSV-MRXNPFEDSA-N 446.862 3.926 0 40 IHAB CCN1CCN(C(=O)Cc2cccc(F)c2)C[C@H](Cc2cccc(-c3ccncc3)c2)C1=O 19527581 HULIOCNLACAMBN-DEOSSOPVSA-N 445.538 3.980 0 40 IHAB Cn1cc(CC(=O)N2C[C@@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@H]3C2)c2ccccc21 1888910713 XCSIBDZGMIJWAC-IRXDYDNUSA-N 428.458 3.729 0 40 IHAB COc1cccc(N2CCN(C(=O)[C@@H]3CCn4c(C(=O)c5ccccc5)ccc43)CC2)c1 1889070756 BZBJDYZITUDNDR-JOCHJYFZSA-N 429.520 3.564 0 40 IHAB CCNC(=O)COc1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)cc1 29226313 WUANDBFJYFVWBA-UHFFFAOYSA-N 443.301 3.606 0 40 IHAB COc1ccccc1NCCN[C@H](CC(=O)Nc1ccc(Oc2ccccc2)cc1)C(=O)O 9326577 WJQKYOQZBFVQSZ-JOCHJYFZSA-N 449.507 3.971 0 40 IHAB Cc1ccccc1N1C[C@H](C)Cn2c1nc1c2c(=O)n(Cc2ccc(Cl)cc2)c(=O)n1C 9519331 CXHOMKXWYWOLIP-HNNXBMFYSA-N 449.942 3.695 0 40 IHAB COc1cc(NC(=O)c2cc3cc4c5c(c3oc2=N)CCCN5CCC4)cc(OC)c1OC 9524439 RPENRDZJMWUVEW-UHFFFAOYSA-N 449.507 3.889 0 40 IHAB CCS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)c1 9707720 ODCQJBGDMFDPFE-UHFFFAOYSA-N 432.523 3.873 0 40 IHAB Cc1ccc(NC(=O)Cn2cnc3c(cnn3-c3cccc(Cl)c3)c2=O)cc1Cl 12237750 BRCZNORYCBVSDD-UHFFFAOYSA-N 428.279 3.836 0 40 IHAB Cc1ccc(Cl)cc1N1CCN([C@@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2=O)CC1 15307530 YLKJLBDJFQRKFK-LJQANCHMSA-N 436.314 3.895 0 40 IHAB COC(=O)c1ccc(N2C(=O)C[C@H](N3CCC(CCc4cccc(F)c4)CC3)C2=O)cc1 18218011 YJGXTQILADQMGV-QFIPXVFZSA-N 438.499 3.589 0 40 IHAB CCOC(=O)C1CCN([C@@H](c2ccc(Cl)cc2)c2sc3nc(C)nn3c2O)CC1 23156931 OBBQVTBCLLFEJW-INIZCTEOSA-N 434.949 3.823 0 40 IHAB CN(c1ncc(Cl)cn1)C1CCN(CC(=O)Nc2cccc(C(F)(F)F)c2)CC1 2086882012 UYOHZVOGYDRSRH-UHFFFAOYSA-N 427.858 3.688 0 40 IHAB CCOC(=O)N1CCc2c(sc(NC(=O)/C=C/c3ccccc3Cl)c2C(N)=O)C1 9639004 NHJVRSNLWPNPKM-BQYQJAHWSA-N 433.917 3.667 0 40 IHAB COCCn1/c(=N/C(=O)c2ccccc2Br)sc2cc(NC(C)=O)ccc21 100873062 DKZAVWHCDBXDKI-QOCHGBHMSA-N 448.342 3.811 0 40 IHAB COc1ccc(CCNC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](C2CC2)N3)cc1OC 793183 IDSHYMHESUXPNC-RDTXWAMCSA-N 438.450 3.570 0 40 IHAB COCCNC(=O)c1cnn2c1N[C@@H](c1ccc(Br)cc1)C[C@@H]2C(F)(F)F 2088243 XSTPUQWYWMEPSR-ZIAGYGMSSA-N 447.255 3.682 0 40 IHAB CCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc(C)cc2oc(=O)cc(C)c12 2149717 VXCWXUXNEJNGGD-GOSISDBHSA-N 443.521 3.771 0 40 IHAB biogenic CCOC(=O)c1ccc(NC(=O)Cn2c(C)cc(=O)c3cc(Br)ccc32)cc1 2210510 WHSPDPMEDPDJRW-UHFFFAOYSA-N 443.297 3.888 0 40 IHAB COc1cc2c(=O)c(S(=O)(=O)c3ccccc3)cn(Cc3ccccc3)c2cc1OC 2691072 GGOGSPDLBYQVSJ-UHFFFAOYSA-N 435.501 3.900 0 40 IHAB COc1ccc(OC)c(N(CC(=O)Nc2ccccc2C)S(=O)(=O)c2ccccc2)c1 3117614 GUTZNXOLTUICMM-UHFFFAOYSA-N 440.521 3.846 0 40 IHAB COc1ccc2nc(NC(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)sc2c1 3208299 XXFYJWYFTNCVFM-UHFFFAOYSA-N 431.539 3.732 0 40 IHAB COc1ccc2nc(NC(=O)CN3c4cccc5cccc(c45)S3(=O)=O)sc2c1 3221528 PJZRKDXVWWCNJE-UHFFFAOYSA-N 425.491 3.606 0 40 IHAB CC(=O)c1ccc(NC(=O)CSc2nnc(Cc3cccc4ccccc34)n2N)cc1 3293722 OEZCLLTWXXTCJJ-UHFFFAOYSA-N 431.521 3.669 0 40 IHAB COc1ccc(Nc2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)s2)cc1 3319237 WYQUZQWWNHVGAD-UHFFFAOYSA-N 430.511 3.792 0 40 IHAB CCc1ccccc1NC(=S)N(CCCO)Cc1cc2cc(OC)ccc2[nH]c1=O 4160795 IEPNKPPGSOAKLF-UHFFFAOYSA-N 425.554 3.681 0 40 IHAB COc1ccc(CNC(=O)C[C@@H]2CCNC[C@@H]2Cc2cc(-c3ccc(OC)cc3)on2)cc1 8623703 FWFTZGMNRWHHSC-SFTDATJTSA-N 449.551 3.834 0 40 IHAB biogenic,in-vitro CCCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(OC)c(OC)c1)C(C(=O)OCC)=C(C)N2 8768863 GUAJVEMSZQGCBA-KRWDZBQOSA-N 445.541 3.684 0 40 IHAB CCOc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(C)cc2)cc1 9094862 LHLWWFWNXBWFLB-HSZRJFAPSA-N 438.549 3.922 0 40 IHAB COc1cccc([C@@H]2c3c(-c4cc(Cl)c(C)cc4O)n[nH]c3C(=O)N2CCCO)c1 9124455 YPCRVRKMXATAPT-OAQYLSRUSA-N 427.888 3.680 0 40 IHAB CCOc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)N(CC)C(=O)C(C)(C)CO2 9170746 DMKCQCNEAWOFDW-UHFFFAOYSA-N 432.542 3.966 0 40 IHAB O=C(Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OCC(F)(F)F)C1CCC1 9252444 NJFBWGHVXZVRSZ-UHFFFAOYSA-N 434.480 3.931 0 40 IHAB Nn1c(SCc2cc(=O)oc3cc(O)ccc23)nnc1-c1ccccc1Br 9460009 KUDRBWPTDGUESR-UHFFFAOYSA-N 445.298 3.526 0 40 IHAB COc1ccc(C(=O)Nc2nc(CC(=O)N[C@H](C)c3ccccc3)cs2)cc1OC 9628137 AQHBKWUYCIMIRG-CQSZACIVSA-N 425.510 3.833 0 40 IHAB COc1cccc(-c2nc(CC(=O)Nc3ccnn3Cc3ccccn3)cs2)c1OC 9671374 NRJZMUUAFWEHPC-UHFFFAOYSA-N 435.509 3.648 0 40 IHAB CCn1c(SCC(=O)NC2CCN(Cc3ccccc3)CC2)nnc1-c1cccs1 9714003 FEOKUKTXDVZMHM-UHFFFAOYSA-N 441.626 3.899 0 40 IHAB COc1ccc(S(=O)(=O)Nc2nc(CC(=O)Nc3cccc(SC)c3)cs2)cc1 9828675 MSCCLZQKLOXNNS-UHFFFAOYSA-N 449.579 3.856 0 40 IHAB CCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2nc(C)cs2)ccc1OC 9868091 VQENGANDQFOATB-UHFFFAOYSA-N 445.566 3.923 0 40 IHAB COc1cc(OC)cc(C(=O)N2c3ccccc3CO[C@@]23C(=O)N(C)c2ccccc23)c1 10157773 GDMFAZUNBAXZMD-VWLOTQADSA-N 430.460 3.710 0 40 IHAB C[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)c1cccc(S(C)(=O)=O)c1)OCCO3 10366796 XUEMRKISLRKQMY-INIZCTEOSA-N 441.549 3.890 0 40 IHAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)[C@H](C)Oc1ccc(OC)cc1 11653250 XWFJFIITYRLFRN-KRWDZBQOSA-N 444.528 3.735 0 40 IHAB CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)C[C@H]1Sc2ccccc2NC1=O 12425064 FQRMVUCWVNAMLH-LJQANCHMSA-N 426.538 3.860 0 40 IHAB CC(C)(C)NC(=O)[C@H](c1cccs1)N(CCc1ccccc1)C(=O)c1csnn1 12638595 HZQNOEDTDMAZDV-SFHVURJKSA-N 428.583 3.941 0 40 IHAB CCOC(=O)C1=C(COC(=O)[C@H](C)Sc2ccccc2)NC(=O)N[C@H]1c1ccccc1 12697278 YMQYAIHPPSFDDD-YWZLYKJASA-N 440.521 3.582 0 40 IHAB CNS(=O)(=O)c1ccc(C)c(C(=O)Nc2nc(-c3ccc(F)c(F)c3)c(C)s2)c1 12746480 FSMKRCPAGHZIJE-UHFFFAOYSA-N 437.493 3.866 0 40 IHAB Cc1c(NC(=O)CCSc2nccn2-c2ccccc2)c(=O)n(-c2ccccc2)n1C 12753776 VEQVOBSJHIUEBC-UHFFFAOYSA-N 433.537 3.791 0 40 IHAB Cc1ccc(OC(F)F)c(C(=O)COC(=O)c2cc(S(C)(=O)=O)ccc2Cl)c1 12782444 HZRBDGBPOPEQEV-UHFFFAOYSA-N 432.828 3.693 0 40 IHAB CN(C)c1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2Cc2ccco2)cc1 12794116 BLSREJAALXZLSL-UHFFFAOYSA-N 434.525 3.778 0 40 IHAB CNC(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccc(OC)c4ccccc34)CC2)cc1 12854065 UCFAMDHQICCRDS-UHFFFAOYSA-N 445.519 3.699 0 40 IHAB CN(CC(=O)NCc1ccc(F)cc1)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 12854293 QIHFXGAGZJAPTR-UHFFFAOYSA-N 431.817 3.685 0 40 IHAB O=C(NC1CCCC1)[C@@H](c1ccccn1)N(C(=O)c1csnn1)c1ccccc1F 12869969 QTFAWPCKAIFDOV-LJQANCHMSA-N 425.489 3.519 0 40 IHAB CN(CC(=O)Nc1ccccc1Cl)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O 13041575 MBNKIEUPKBRBJM-UHFFFAOYSA-N 434.968 3.695 0 40 IHAB CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)c2cc(C)n(-c3nccs3)c2C)C1=O 13149108 GPMOLHSRDIWQTK-HSZRJFAPSA-N 436.537 3.981 0 40 IHAB O=S(=O)(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(Cl)cc1 13949615 VIOHUBXOFAKBRF-UHFFFAOYSA-N 428.963 3.706 0 40 IHAB COc1cc(CNC(=O)Cn2c(C)nc3ccccc3c2=O)ccc1OCc1ccccc1 14086548 OYEXBBFPVLRXLO-UHFFFAOYSA-N 443.503 3.609 0 40 IHAB CCCn1nc(C(=O)O[C@H](C)c2nnc(-c3ccc(OC)cc3)o2)c2ccccc2c1=O 14246774 KWHXKHMPWIADPD-CQSZACIVSA-N 434.452 3.783 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccccc2)CCC3)s1 15781326 KQOTZTLXGNICDW-UHFFFAOYSA-N 448.591 3.999 0 40 IHAB O=C(c1sc2ccccc2c1Cl)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 16179546 AQMIBQVPCRNUFS-UHFFFAOYSA-N 444.969 3.582 0 40 IHAB CCn1ncc(Br)c1CN(C)C(=O)c1cc(C)nc2c1c(C)nn2C(C)C 17098341 CSAAIQCDEBROMO-UHFFFAOYSA-N 433.354 3.880 0 40 IHAB O=C(O)CNC(=O)c1ccc(NC(=O)CSCc2ccc(Cl)cc2Cl)cc1 18195671 QYQSMLWURQAKOI-UHFFFAOYSA-N 427.309 3.680 0 40 IHAB Cc1cccc(CC(=O)N2CCC[C@@H]2c2nn(C)cc2-c2ccnc(N3CCCC3)n2)c1 19234700 IQYAEKITQXSCGH-JOCHJYFZSA-N 430.556 3.692 0 40 IHAB CCCN1CCN(C(=O)c2cc[nH]n2)C[C@@H](Cc2ccccc2-c2ccccc2OC)C1=O 19503238 ZYVHUQVXFSBIJE-HXUWFJFHSA-N 446.551 3.639 0 40 IHAB CCN1CCN(C(=O)c2nccn2C)C[C@H](Cc2cccc(-c3ccccc3C)c2)C1=O 19527533 ZUISQSJLEPMEMS-QFIPXVFZSA-N 430.552 3.559 0 40 IHAB O=C(CN1CCC([C@H]2CCCCN(CCc3ccccc3)C2=O)CC1)Nc1nccs1 19744028 GXKYTWIHDWAZGL-OAQYLSRUSA-N 440.613 3.665 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(F)ccc2C)C1 20017465 HYPMYLMQHMXATH-AWEZNQCLSA-N 440.924 3.836 0 40 IHAB C[C@@H](NC(=O)NCc1ccc(CN2CCOCC2)cc1)c1ccccc1Br 22436659 CXOWREKVFBORTQ-MRXNPFEDSA-N 432.362 3.842 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3ccc(F)cc3)CC2)cc1C 22540156 VUDNNLBSIUOGEQ-QGZVFWFLSA-N 448.560 3.811 0 40 IHAB O=C(CN1CCN(Cc2csc(-c3ccccc3)n2)CC1)Nc1c(F)cccc1F 22834154 XMXRZGPVSNAILY-UHFFFAOYSA-N 428.508 3.845 0 40 IHAB CCN(CC)C(=S)SCC1=C(C(=O)OC)[C@@H](c2ccccc2)NC(=O)N1C1CC1 22967645 KQWQYWTVYQZKGK-GOSISDBHSA-N 433.599 3.702 0 40 IHAB Cc1ccc(C(C)C)c(OCc2nnc(S[C@H](C)C(=O)N3CCC(C)CC3)n2N)c1 23328342 KRJXIVFSSOEBCE-QGZVFWFLSA-N 431.606 3.742 0 40 IHAB O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CCN(Cc2ccsc2)CC1 23968732 LARWFHQBMGVGAF-UHFFFAOYSA-N 429.549 3.954 0 40 IHAB CCOc1ccc(/C=C/C(=O)N2CCN(Cc3nc(-c4ccc(C)cc4)no3)CC2)cc1 25057415 ITFWGMLVGHLGAS-MDWZMJQESA-N 432.524 3.801 0 40 IHAB COCCn1c(-c2ccc(Cl)cc2)nn(CN2CCN(c3ccccn3)CC2)c1=S 25427115 AHOPAKWEBSPXKY-UHFFFAOYSA-N 444.992 3.556 0 40 IHAB CCOC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@@H]1c1ccccc1OC 28725133 QAEKAPNDMWDVJM-OAQYLSRUSA-N 440.521 3.739 0 40 IHAB Cc1cccn2c(=O)cc(CN(C)CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)nc12 31158397 MODODKPURMWGKI-UHFFFAOYSA-N 438.837 3.746 0 40 IHAB O=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)Nc1ccc(OCC(F)(F)F)cc1 31714559 URDOBFUYAQJRQJ-UHFFFAOYSA-N 427.444 3.919 0 40 IHAB CC(=O)c1ccccc1OCCOC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1 32947312 REXNIYNHOOKTNM-KRWDZBQOSA-N 445.537 3.688 0 40 IHAB CCN(CC)C(=O)CSc1nnc(SCC(=O)Nc2ccccc2Cl)s1 32947348 HKAXHHDQWZRZCI-UHFFFAOYSA-N 431.008 3.883 0 40 IHAB C[C@@H](NS(=O)(=O)c1ccccc1)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1 36370265 PJYXONGMKTZDLZ-XXBNENTESA-N 441.622 3.978 0 40 IHAB CCOc1c(Cl)cc(C(=O)N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1OC 36393460 RCXSUPGZHNFEPG-ZDUSSCGKSA-N 425.934 3.984 0 40 IHAB NC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cc3cc(Cl)ccc3o2)CC1 37197412 DMKZZSKNQBEYEB-LJQANCHMSA-N 432.307 3.724 0 40 IHAB CSCC[C@H](NC(=O)CCn1ccc2ccc(OCc3ccccc3)cc21)C(=O)O 40312414 MPPJPSAJSNNCAP-FQEVSTJZSA-N 426.538 3.933 0 40 IHAB biogenic Cc1ccc2c(=O)c(C(=O)Nc3ccccc3)cn(CC(=O)Nc3ccc(F)cc3F)c2n1 49002011 VRDXYCCCMPGEKA-UHFFFAOYSA-N 448.429 3.874 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(N4CCCC4)cc3)C2)cc1 64691270 JCBNCONADSMAQQ-LJQANCHMSA-N 427.570 3.635 0 40 IHAB Cc1nc(-c2ccccc2)n(CC(=O)Nc2cc(Cl)ccc2Cl)c(=O)c1CCO 67300439 ADGRCWYVNFVZTG-UHFFFAOYSA-N 432.307 3.699 0 40 IHAB O=C(Cn1cnc2nc(N3CCCCC3)sc2c1=O)Nc1cc(Cl)ccc1Cl 67317128 LWZUVHNGDQTEIB-UHFFFAOYSA-N 438.340 3.789 0 40 IHAB COC(=O)[C@H](Cc1c[nH]c2ccc(Br)cc12)NC(=O)[C@@H](C)OCCC(C)C 72306763 GIGIIIAJRNJHJJ-ACJLOTCBSA-N 439.350 3.582 0 40 IHAB Cc1c(C)n(Cc2ccccc2)c2ncnc(OC3CCN(C(=O)[C@@H]4CCCO4)CC3)c12 72335981 QOFSVHGENNQKHN-NRFANRHFSA-N 434.540 3.645 0 40 IHAB O=C(NCCCN1CCCCC1)C1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)CC1 78714435 MAWGFYWLAKLVQY-UHFFFAOYSA-N 432.008 3.602 0 40 IHAB COCCN(CCOC)c1ccc(C)cc1C(=O)N1C[C@H](C)O[C@H](c2ccccc2)C1 78822314 UJLIRIJNXPWUOV-RDPSFJRHSA-N 426.557 3.696 0 40 IHAB Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NC[C@@]1(N(C)C)CCSC1 78998581 UFKHFQCOAFQVFB-FQEVSTJZSA-N 441.428 3.892 0 40 IHAB COCc1ccccc1CNC(=O)CN[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 96012805 RNJHUKRZWFPFGI-DEOSSOPVSA-N 446.526 3.969 0 40 IHAB CCOc1ccc(COc2ccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3CC[C@H]4O3)cc2)cc1OCC 103149282 RTAQEHIFPNSBIV-OHUMZHCVSA-N 437.492 3.730 0 40 IHAB O=S(=O)(c1cccc2cccnc12)N1CCC[C@H](Cc2nc(-c3ccsc3)no2)C1 207018200 OFMQDZOABSFECH-OAHLLOKOSA-N 440.550 3.990 0 40 IHAB O=C(COc1c(Br)cc(C(=O)O)cc1Br)NCc1ccccc1 217735545 VLNODSFKSZZSQS-UHFFFAOYSA-N 443.091 3.605 0 40 IHAB CC1(C)C[C@@H](NC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)c2ccccc2O1 219966260 UMCIHCHCXOPUSD-HXUWFJFHSA-N 428.554 3.644 0 40 IHAB O=C(NCCSCc1ccccc1Cl)c1cccc(S(=O)(=O)N2CCCC2)c1 219974525 MHBYDSRALBPKLT-UHFFFAOYSA-N 439.002 3.788 0 40 IHAB CC[C@H](C(=O)NCCc1ccc(OC)cc1)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O 220730664 CMRASHHDZKCOHO-HXUWFJFHSA-N 438.977 3.561 0 40 IHAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)COc1cc(OC)cc(OC)c1 222642504 NGPVZBDWMBNWHW-QFIPXVFZSA-N 446.519 3.554 0 40 IHAB CCCSc1nnc(NC(=O)[C@@H](CC)N(c2cc(C)ccc2C)S(C)(=O)=O)s1 222966497 LDZIXPASSIIYLJ-CQSZACIVSA-N 442.632 3.840 0 40 IHAB CCc1ccc(CC)c(CNC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1 223259420 WVOXXWIBVOOTMP-UHFFFAOYSA-N 442.503 3.913 0 40 IHAB Cc1cc(C)cc(NC(=O)c2cnc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)nc2)c1 223388285 OVCFOZWNPKLOCL-UHFFFAOYSA-N 444.944 3.820 0 40 IHAB O=S(=O)(NCc1nc(-c2cccc(Br)c2)no1)c1ccc(Cl)cc1 223760417 AMYUHQOYRRHCSG-UHFFFAOYSA-N 428.695 3.631 0 40 IHAB CC(=O)Nc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3F)c2)cc1 224157211 RTYPWEPSBBEBTJ-UHFFFAOYSA-N 441.484 3.862 0 40 IHAB COc1ccc(CNC(=O)c2ccc(C)cc2I)c(OC)c1OC 225024462 IBJKYKGTGQTESA-UHFFFAOYSA-N 441.265 3.555 0 40 IHAB CC(C)Sc1nnc(NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)s1 225439017 QBJHJZURRWDLPN-UHFFFAOYSA-N 436.584 3.597 0 40 IHAB CN(Cc1ccccc1F)C(=O)Cc1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 225978600 HCDSOSSRKOGBTE-UHFFFAOYSA-N 426.513 3.852 0 40 IHAB CC(=O)c1ccccc1OC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc1 251060914 VJERKDHTEFPNST-PWCQDKJGSA-N 427.456 3.666 0 40 IHAB COc1ccc(CCC(=O)N[C@@H]2CC[C@@H]3OCCO[C@@H]3C2)cc1OCc1ccccc1 252507456 WMFWCRYMTAXSPV-JCTONOIOSA-N 425.525 3.660 0 40 IHAB CN(C)c1ncc(-c2ccccn2)c([C@H]2CC[C@H](CNC(=O)CC[C@@H]3CCCO3)CC2)n1 257246753 IVRGWDQNZRCPCS-UFYCRDLUSA-N 437.588 3.954 0 40 IHAB COc1ccccc1CN1CC[C@@H](c2cc3nc(C)c(CCC(=O)NC(C)C)c(C)n3n2)C1 257292305 QKWSVWWMTGCAMT-HXUWFJFHSA-N 449.599 3.801 0 40 IHAB COc1cccc(C(=O)N2CCC[C@](C)(c3cc(N)nc(C)n3)C2)c1OCc1ccccn1 257340432 ZGCDOSWDJKODII-VWLOTQADSA-N 447.539 3.544 0 40 IHAB COc1ccc(C)cc1N([C@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1)S(C)(=O)=O 260899658 PGTFUBJVGPWADD-CYBMUJFWSA-N 446.447 3.695 0 40 IHAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1Cl 408561400 RZDKNLPJIHCGDE-JTQLQIEISA-N 436.839 3.673 0 40 IHAB COc1ccc(NC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H]([C@H]6C[C@H]65)[C@H]4C3=O)cc2)c(OC)c1 408671861 LSGKDENPCUJSMB-XEAGOBSMSA-N 444.487 3.514 0 40 IHAB O=C(NCc1ccc(C(=O)N2CCO[C@]3(CCc4ccccc43)C2)cc1)c1cccs1 512189271 JFLNRJLYFAFYEX-RUZDIDTESA-N 432.545 3.992 0 40 IHAB COc1cc2c(cc1OC)CCN(C(=O)N[C@H](C)c1ccc(OC)c(OC)c1C)CC2 513436125 AUXZJMTWAVGLKV-MRXNPFEDSA-N 428.529 3.901 0 40 IHAB Cc1nc(C)c(C(=O)N2CCC(Cn3nc(-c4ccc(F)cc4)ccc3=O)CC2)s1 585147524 CMFGCFXFEZRHEC-UHFFFAOYSA-N 426.517 3.675 0 40 IHAB CN1CCN(S(=O)(=O)c2ccc(Br)c(Cl)c2)[C@@H](c2ccccc2)C1 1189141452 OKPDZWVALWEUGJ-QGZVFWFLSA-N 429.767 3.780 0 40 IHAB Cc1ccc(CS(=O)(=O)N2CCO[C@H](c3cccc(Nc4ncc(C)s4)n3)C2)cc1 2037834581 SHNRVCXBWOYRSQ-IBGZPJMESA-N 444.582 3.802 0 40 IHAB Brc1ccc2nc(N3CCCN(c4ccc5nccn5n4)CC3)sc2c1 2086869144 XJIFYUBVMMUZFZ-UHFFFAOYSA-N 429.347 3.818 0 40 IHAB CCOC(=O)c1c(C)oc2ccc(N(C(C)=O)S(=O)(=O)c3ccc(OC)cc3)cc12 645633 YIGXERXMOOINLL-UHFFFAOYSA-N 431.466 3.668 0 40 IHAB CCn1c(COc2ccccc2OC)nnc1SCC(=O)Nc1ccc(C(C)=O)cc1 908167 PTRBFXOQNHVWIE-UHFFFAOYSA-N 440.525 3.819 0 40 IHAB CCOC(=O)c1ccc(NCN2C(=O)S/C(=C\c3ccc(C(=O)OC)cc3)C2=O)cc1 1421544 QHABIVDYQXKVBH-PDGQHHTCSA-N 440.477 3.756 0 40 IHAB COCCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccc(Cl)cc1Cl 2695121 OHCZJAXYBJMGQA-MRXNPFEDSA-N 429.325 3.833 0 40 IHAB COc1ccccc1NC(=O)/C=C/c1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 3481785 KPFLGBATECTLOQ-ACCUITESSA-N 430.526 3.530 0 40 IHAB CC(C)c1ccccc1-n1c(SCC(=O)NC(N)=O)nnc1-c1ccc(Cl)cc1 3482520 DORMCFOWDZWFHR-UHFFFAOYSA-N 429.933 3.998 0 40 IHAB CCN(CC)CCN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=S)NCc1ccco1 6193427 NGYVZLVCCJHERU-UHFFFAOYSA-N 440.613 3.956 0 40 IHAB O=C1[C@@H]2C3c4ccccc4C(Br)(c4ccccc43)[C@H]2C(=O)N1Cc1cccnc1 8449603 APYWSEPQFKBQQR-YQORSWRPSA-N 445.316 3.980 0 40 IHAB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC[C@H]1COc2ccccc2O1 8882955 MIFMNKAIWHBPKQ-LIRRHRJNSA-N 437.323 3.704 0 40 IHAB Cc1ccc(-c2nn(CC(=O)Nc3ccc4c(c3)OCO4)c(=O)c3nc(C)sc23)c(C)c1 8955782 LBCMONUDKXIWGX-UHFFFAOYSA-N 448.504 3.813 0 40 IHAB COc1ccc(NC(=O)c2ccccc2OC)cc1NS(=O)(=O)c1ccc(F)cc1 9130280 UVQIYVRVPLQACL-UHFFFAOYSA-N 430.457 3.896 0 40 IHAB C[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C(=O)Nc1ccc(Cl)cc1 9255944 YLITXDXWRFIKEC-LBPRGKRZSA-N 425.901 3.882 0 40 IHAB CCn1c(COc2cc(C)ccc2C)nnc1S[C@@H](C)C(=O)Nc1nnc(C)s1 9290090 FGLPERILILKOPG-ZDUSSCGKSA-N 432.575 3.773 0 40 IHAB O=C(c1ccc(Cl)c(S(=O)(=O)NCc2cccnc2)c1)N1CC[C@H]2CCCC[C@H]2C1 9322011 TUUFWSBZOZACLN-MJGOQNOKSA-N 447.988 3.866 0 40 IHAB O=C(Nc1cccc(C(=O)NC2CC2)c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 9411768 WEQJQHSAHVRNPB-UHFFFAOYSA-N 435.505 3.632 0 40 IHAB CCOc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(C)c(Cl)c2)C1 9525850 POMYVMDRBYNTKG-HNNXBMFYSA-N 430.888 3.582 0 40 IHAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(OC(F)F)c(Cl)c1 9612628 ZGNCRWWHASEBNQ-MRXNPFEDSA-N 444.887 3.657 0 40 IHAB COc1ccc(Cn2nnnc2SCC(=O)c2cc(C)n(Cc3ccco3)c2C)cc1 9666314 CSMFOYNXHWRMND-UHFFFAOYSA-N 437.525 3.765 0 40 IHAB O=S(=O)(c1cccs1)N1CCN(c2ncnc3sc(-c4ccccc4)cc23)CC1 9795486 FHOVMDMHSSSOBR-UHFFFAOYSA-N 442.591 3.931 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2nc(CC(=O)N3c4ccccc4C[C@H]3C)cs2)cc1 9828579 VHCPSVAUYCRCBY-OAHLLOKOSA-N 427.551 3.773 0 40 IHAB Cc1ccccc1N(CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)S(C)(=O)=O 10810984 MWUVZAJMCHRQAH-UHFFFAOYSA-N 432.929 3.991 0 40 IHAB O=C(CSc1nnnn1Cc1ccco1)Nc1cc(C2CCCC2)nn1-c1ccccc1 11683610 UEZSMRWVUQUYCS-UHFFFAOYSA-N 449.540 3.889 0 40 IHAB COc1ncc(-c2nc(NC3CCN(C(C)C)CC3)ncc2-c2ccsc2)c(OC)n1 12220204 UFANVQMTAFFPJZ-UHFFFAOYSA-N 440.573 3.964 0 40 IHAB O=C(COc1ccc(-c2cc3ccccc3oc2=O)cc1)N[C@H](CO)Cc1ccccc1 12296902 VFDRAKWXEWCQRT-NRFANRHFSA-N 429.472 3.559 0 40 IHAB biogenic COc1ccc([C@@H](CNC(=O)c2cc(C3CC3)nc3c2c(C)nn3C)N2CCCC2)cc1 12772226 OBCPUYGNFPXYQZ-JOCHJYFZSA-N 433.556 3.730 0 40 IHAB C[C@H]1CN(Cc2csc(NC(=O)c3cccc(NC(=O)C(C)(C)C)c3)n2)C[C@H](C)O1 12778401 CUKXQQBGRAJYOS-GJZGRUSLSA-N 430.574 3.989 0 40 IHAB C[C@@H](OC(=O)c1cccc(N2CCCS2(=O)=O)c1)C(=O)C12CC3CC(CC(C3)C1)C2 12890342 SPFNRLFFWAOSKG-LRYXAPPNSA-N 431.554 3.557 0 40 IHAB CC[C@H](C)[C@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1)C(=O)OC 12890966 JPUZZTXJISQPDB-GMWOSMDTSA-N 440.540 3.949 0 40 IHAB biogenic Cc1cccc2sc(N(Cc3ccccc3)C(=O)[C@H]3CCCN(S(C)(=O)=O)C3)nc12 13790880 GQLRRGKXUBPYPR-SFHVURJKSA-N 443.594 3.810 0 40 IHAB CCc1ccccc1NC(=O)CNC(=O)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(C)C 14189343 NSPWPMUWPRMJMI-DHUDBDOYSA-N 439.600 3.661 0 40 IHAB O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1ccc2c(c1)OCO2)OCc1ccccc1 14200638 SVPPXCOEGJJZHU-NRFANRHFSA-N 432.476 3.569 0 40 IHAB CCN(CC)c1ccc(NC(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2Cl)cc1 15858462 DMMCQHCPMAOGKD-CQSZACIVSA-N 449.960 3.751 0 40 IHAB CCCCN1C(C)=NS(=O)(=O)c2cc(C(=O)Nc3cc(OC)ccc3OC)ccc21 15867642 GYSIUHOJSUYNFT-UHFFFAOYSA-N 431.514 3.683 0 40 IHAB COc1ccc(NC(C)=O)cc1NC(=O)c1cccn(Cc2c(F)cccc2Cl)c1=O 15882801 LRQKRJIFHKYMJK-UHFFFAOYSA-N 443.862 3.908 0 40 IHAB COc1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC(=O)NCc2ccccc2)c(OC)c1 16043062 AVRNXAYFHJFLFS-UCGXPXSYSA-N 438.568 3.688 0 40 IHAB biogenic CCOCc1c(C(=O)Nc2ccc(OCC)c(S(=O)(=O)N(C)C)c2)oc2ccccc12 16498929 MOAKDNCYKNRTQP-UHFFFAOYSA-N 446.525 3.871 0 40 IHAB Cc1ccnn1CCC(=O)N1CCC[C@@](Cc2cccc(-c3cccc(F)c3)c2)(C(N)=O)C1 19238423 BPLDHUPJZUECTF-SANMLTNESA-N 448.542 3.725 0 40 IHAB O=C(CN1CC2(CCOCC2)Oc2ccc(Cl)cc2C1=O)NCCC1=CCCCC1 19345861 PTEFYTNDBGNXHE-UHFFFAOYSA-N 432.948 3.731 0 40 IHAB O=C(NCc1ccncc1)c1cc([C@@H]2CCCN(Cc3ccnc4ccccc34)C2)no1 19376086 CKPVEKDAEPSHQH-HXUWFJFHSA-N 427.508 3.927 0 40 IHAB COc1ccc(OC)c([C@@H]2CN(Cc3ccccc3)C[C@H]2NC(=O)c2cc(C(C)C)n[nH]2)c1 19451980 OZJMLPPVGYOCBT-XUZZJYLKSA-N 448.567 3.948 0 40 IHAB CCN1CCN(C(=O)Cc2cccnc2)C[C@@H](Cc2cccc(-c3ccc(F)cc3)c2)C1=O 19527468 OAESDBZBGIEISR-XMMPIXPASA-N 445.538 3.980 0 40 IHAB Cc1cnc(NC(=O)CN2CCC[C@@H](c3nc(N(C)C)ncc3-c3ccccc3)C2)s1 19694539 BPGHRIRIJPSNFG-GOSISDBHSA-N 436.585 3.793 0 40 IHAB COc1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)cc1OC 20047963 FCZZJFUWGPQTBU-UHFFFAOYSA-N 440.521 3.743 0 40 IHAB Cc1ccc(SCCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1 20451214 TUOAQAOMUPLAIC-UHFFFAOYSA-N 428.539 3.707 0 40 IHAB S=c1n(CN2CCOCC2)nc(-c2ccc(Br)o2)n1Cc1ccccc1 25461319 LRSCFCLMCHUYPV-UHFFFAOYSA-N 435.347 3.775 0 40 IHAB CC(C)Cn1c(=O)n(C)c(=O)c2c(-c3ccncc3)n(Cc3cccc4ccccc34)nc21 29045993 NNZDBCPMOOEFTE-UHFFFAOYSA-N 439.519 3.816 0 40 IHAB in-vitro CC[C@H](OC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)C(=O)Nc1cc(C)on1 31635479 LUMQSYJHBCWJRI-SFHVURJKSA-N 431.452 3.805 0 40 IHAB O=C(NCCSCc1cccs1)c1ccccc1S[C@@H]1CCS(=O)(=O)C1 32744723 UORCTWVDVMIACG-OAHLLOKOSA-N 427.638 3.691 0 40 IHAB Cc1nn(CC(C)C)c2sc(C(=O)OCC(=O)N3CCN(c4ccccc4)CC3)cc12 32945389 UOKTVYHVFHBRCO-UHFFFAOYSA-N 440.569 3.568 0 40 IHAB O=C(c1sc2ccccc2c1Cl)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 32983329 KQFJAVJXMDFUTG-KRWDZBQOSA-N 442.924 3.679 0 40 IHAB O=C(CSc1nnc(-c2cccnc2)n1Cc1ccccc1)Nc1ccc2c(c1)OCO2 34791649 MUPJXXVDJRGWHW-UHFFFAOYSA-N 445.504 3.848 0 40 IHAB CC[C@@H](C)c1ccc(OCC(=O)Nc2cc(C(=O)OC)ccc2N2CCN(C)CC2)cc1 57313228 DOOXOBVRQBSFMJ-GOSISDBHSA-N 439.556 3.756 0 40 IHAB COc1ccc(C(=O)Nc2ccccc2N2CCN(C(=O)c3ccccc3)CC2)c(OC)c1 57315867 GSOIWDPNRSVFDC-UHFFFAOYSA-N 445.519 3.919 0 40 IHAB COc1cc(CCC(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)cc(OC)c1OC 58129642 KQBIHBUJSCLGHD-NRFANRHFSA-N 426.557 3.673 0 40 IHAB CCN(CC)CCOc1ccccc1NC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 65610872 RBAGLRHIGYSJDL-SFTDATJTSA-N 446.636 3.760 0 40 IHAB COc1ccc([C@@H](C)NC(=O)c2nnn(-c3cccc(OC)c3)c2-c2ccncc2)cc1 67261814 UQKSCJHEEXDODX-MRXNPFEDSA-N 429.480 3.838 0 40 IHAB C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)NCC1(N[C@H](C)c2ccccc2)CCOCC1 72309574 UXLGUCLCGGTVPC-RTBURBONSA-N 433.593 3.506 0 40 IHAB Cn1c(CNC(=O)[C@H]2C[C@@H]3CC[C@@]2(C)C[C@]32NC(=O)c3ccccc3N2)nc2ccccc21 72326525 PBQGJTUALVLNKU-DJEITTTDSA-N 443.551 3.568 0 40 IHAB COc1cc2c(cc1OC)[C@@H]1c3ccccc3N(CC(=O)NCc3ccco3)C(=O)N1CC2 72342038 UFTJOAGSACFMFE-DEOSSOPVSA-N 447.491 3.501 0 40 IHAB COc1ccc(NC(=O)CN2CCC[C@H](c3cc(Nc4cnccn4)cc(C)n3)C2)cc1 72374850 NFZCHCCVHIEAMD-SFHVURJKSA-N 432.528 3.750 0 40 IHAB Cc1cc(Nc2cccc(C3CCN(Cc4ccc5c(c4)n(C)c(=O)n5C)CC3)n2)no1 72376176 ZEOCRASAYFEQIX-UHFFFAOYSA-N 432.528 3.692 0 40 IHAB COc1cccc(OC)c1CN1CCC[C@@H]([C@H](NC(=O)c2ccccn2)c2ccccn2)C1 72398639 DIMAJWSELOWJCI-CLOONOSVSA-N 446.551 3.877 0 40 IHAB CCCc1cc(=O)oc2cc(O[C@@H]3CCN(c4sccc4C(=O)OC)C3=O)ccc12 78950651 CAPBUTDBLFOLMW-QGZVFWFLSA-N 427.478 3.778 0 40 IHAB COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)C[C@@H]1CCOc2ccccc21 95398235 ZBVDFDBQCXLTSM-FXAWDEMLSA-N 439.508 3.649 0 40 IHAB O=S(=O)(c1cccc(-c2ccc(Cl)cc2)c1)N1CCC(N2CCC[C@H]2CO)CC1 96099767 ZRGQBNYUDUEOKZ-NRFANRHFSA-N 434.989 3.617 0 40 IHAB CCS(=O)(=O)[C@](Cl)(I)C(=O)c1ccc(Cl)cc1Cl 96518290 AAAQFFMVYHNZIO-SNVBAGLBSA-N 441.501 3.938 0 40 IHAB CCS(=O)(=O)[C@@](Cl)(I)[C@H](O)c1ccc(Cl)cc1Cl 96520173 MEDCRHZSDHPSSG-ZJUUUORDSA-N 443.517 3.789 0 40 IHAB O=C(NCCN1C(=O)S/C(=C/c2cccnc2)C1=O)c1cc(F)c(Cl)cc1Cl 96879008 MAHBMFHSNKDGAW-GIDUJCDVSA-N 440.283 3.994 0 40 IHAB Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1NC(=O)[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)O 102298869 AERZNFQRFULWTE-QAETUUGQSA-N 438.311 3.672 0 40 IHAB O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 105874530 VDSNERPRHTXNHV-GEBQCUDNSA-N 435.612 3.585 0 40 IHAB CCOc1ccccc1CNC(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 113965308 YJTGAGWAPXBGAN-UHFFFAOYSA-N 438.977 3.910 0 40 IHAB CC(=O)O[C@@H]1C[C@H]2[C@@H]3C[C@@H](OC(C)=O)[C@H]4CC(=O)CC[C@]4(C)[C@H]3[C@H](OC(C)=O)C[C@]2(C)C1 123378854 QWVDWZWSHZMUAY-UGQKDEDHSA-N 448.556 3.613 0 40 IHAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)ccc1O[C@H](C)CC 205909804 CZVKLHMGRSOTEQ-DQPIFXJKSA-N 432.542 3.921 0 40 IHAB CC1(C)C[C@H](NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)c2ccccc2O1 219258348 JRDIJOFPCJNHKM-RDJZCZTQSA-N 434.583 3.567 0 40 IHAB CC[C@H](C(=O)Nc1ccc(C(=O)OC)cc1)N(c1cc(Cl)ccc1C)S(C)(=O)=O 220710874 QFHJGWRDQQRHKC-QGZVFWFLSA-N 438.933 3.618 0 40 IHAB C[C@H](C(=O)NCc1ccccn1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1 222852097 FNAMYNNRAKINQK-GOSISDBHSA-N 437.927 3.848 0 40 IHAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1F 223986721 BQWFEPPKCZDMJV-OAQYLSRUSA-N 430.520 3.937 0 40 IHAB S=C(NCc1ccc2c(c1)OCO2)Nc1ccc(N2CCN(c3ccccc3)CC2)nc1 224046379 QWZPHMMSSJKPSR-UHFFFAOYSA-N 447.564 3.624 0 40 IHAB COc1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NCC(C)C)cc1OC 224307603 YBQDZBRUAKURPX-GOSISDBHSA-N 444.547 3.965 0 40 IHAB CC[C@H](C(=O)Nc1ccc(Cc2ccncc2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 224310810 KXEZEPBJOYZKDW-JOCHJYFZSA-N 441.528 3.995 0 40 IHAB Cc1ccc(N(CC(=O)Nc2nnc(SCC(C)C)s2)S(C)(=O)=O)cc1Cl 224893582 ZDSSARCBNKVQRO-UHFFFAOYSA-N 449.023 3.653 0 40 IHAB CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCOc1ccc(OC)cc1 225029427 ASPJDRPHDTYGJT-IBGZPJMESA-N 442.556 3.806 0 40 IHAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)COc1ccccc1OC 225548108 GKIVQUVZTMUYOU-QHCPKHFHSA-N 446.547 3.769 0 40 IHAB O=C(COc1ccc(CN2CCCC2)cc1)N1CCC[C@@H]1c1cccc(-n2ccnc2)n1 257213312 CHAPMGALXKBUIE-HSZRJFAPSA-N 431.540 3.606 0 40 IHAB C[C@@H]1C[C@@H]1C(=O)Nc1nn(Cc2ccccc2)c2nnc(-c3ccc4c(c3)OCO4)cc12 306132377 LGYZZSRGVKSFGF-PBHICJAKSA-N 427.464 3.865 0 40 IHAB Cc1cccc(C)c1NC(=O)COC(=O)CCS(=O)(=O)c1ccc2ccccc2c1 408644590 GXDWJYGMUQZACC-UHFFFAOYSA-N 425.506 3.802 0 40 IHAB COc1ccc(Cl)cc1NC(=O)CCC(=O)OCC(=O)Nc1ccc(Cl)cc1 408645882 MGXNKTDQJUABLM-UHFFFAOYSA-N 425.268 3.903 0 40 IHAB COc1ccc(Cl)cc1NC(=O)CCC(=O)OCC(=O)Nc1cccc(Cl)c1 408646469 ORCFYMVOHDDQOT-UHFFFAOYSA-N 425.268 3.903 0 40 IHAB COc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3OC)CC2)c1 408972339 RQQDHFHPGHDXCM-UHFFFAOYSA-N 432.904 3.857 0 40 IHAB O=C(COC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)Nc1cc(C(F)(F)F)ccc1Cl 409147447 WQQOAJOZGRIAQG-LBPRGKRZSA-N 440.805 3.894 0 40 IHAB O=C(CCCc1ccc2nc(O)[nH]c2c1)N1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 539874159 LLZAGIRFNNQTKG-LPHOPBHVSA-N 433.430 3.945 0 40 IHAB O=C1CNC(=O)c2ccc(-c3nc(C4(c5cccc(C(F)(F)F)c5)CCC4)no3)cc2N1 556320528 LTBVDPOIMYLZKH-UHFFFAOYSA-N 442.397 3.907 0 40 IHAB Cc1cc(C)n([C@H](CNS(=O)(=O)c2ccccc2Br)c2cccs2)n1 575610048 JLHWRCJXFXMFPE-OAHLLOKOSA-N 440.388 3.892 0 40 IHAB CC(C)Cn1nc(C(=O)N[C@H](c2ccc3c(c2)OCCO3)C2CC2)c2ccccc2c1=O 615988000 ZMRSPEQEMMQDGV-QFIPXVFZSA-N 433.508 3.705 0 40 IHAB CCC(=O)N1CC[C@H]2CCC[C@@H](CN(C(=O)c3cc(CC)on3)Cc3ccccc31)N2C 643578456 WCJXUIKUJINUJF-UXHICEINSA-N 438.572 3.879 0 40 IHAB CCOC(=O)c1c(NC(=O)COc2ccc(Cl)cc2Cl)sc(C(N)=O)c1C 669598 OWPVTZAGNUVXHK-UHFFFAOYSA-N 431.297 3.656 0 40 IHAB COc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)cc1 800466 UDDMIKBJNPVKNL-LBPRGKRZSA-N 437.279 3.537 0 40 IHAB COc1ccc(NC(=O)c2cc3c(n(-c4ccc(C)cc4)c2=O)CCCC3=O)c(OC)c1 809743 AASLTURVOXRYLO-UHFFFAOYSA-N 432.476 3.934 0 40 IHAB CCOC(=O)c1csc(-n2nc(-c3ccc(Br)cc3)cc2NC(C)=O)n1 1415828 ZUSIYGQYNQDMBA-UHFFFAOYSA-N 435.303 3.893 0 40 IHAB CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)COc1ccc(Br)cc1 1738409 QXXNZCQTGAOJIR-IBGZPJMESA-N 445.313 3.600 0 40 IHAB biogenic,in-vitro COc1ccc(NC(=O)COc2cc3oc(=O)c(C[C@@H](C)O)c(C)c3cc2Cl)cc1 2373400 UULGQYGSLFXUDO-GFCCVEGCSA-N 431.872 3.704 0 40 IHAB COc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCN(C)C)cc1 2890315 NILOJHSBQXTWOW-HXUWFJFHSA-N 426.900 3.952 0 40 IHAB O=C(COC(=O)/C(=C/c1cccs1)c1cccs1)NCc1ccc2c(c1)OCO2 3247968 ZQJGHBBBBPBFTM-MHWRWJLKSA-N 427.503 3.939 0 40 IHAB O=C(COC(=O)c1ccccc1OCCOc1ccccc1)Nc1ccc2c(c1)OCO2 3478074 KBWTWTRBFISIFZ-UHFFFAOYSA-N 435.432 3.669 0 40 IHAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccccc1SCC(=O)N1CCCC1 3528837 PWTNDMRIJTWFFO-QGZVFWFLSA-N 438.549 3.536 0 40 IHAB O=c1ccn([C@H]2C=C[C@@H](OC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)[nH]1 4106356 QMBXXDQXCWZTRH-JWQCQUIFSA-N 438.483 3.956 0 40 IHAB CC(C)(C)NC(=O)[C@H](c1cccs1)N(C(=O)C(=O)NC1CCCCC1)C1CCCC1 4895639 POOCBTJACCAHIT-IBGZPJMESA-N 433.618 3.924 0 40 IHAB Cc1cc(C)c(NC(=O)CSc2nc(=O)n(Cc3ccncc3)c3c2CCC3)c(C)c1 8601799 QNBCORUZDGVXJV-UHFFFAOYSA-N 434.565 3.831 0 40 IHAB CC(C)CC(=O)Nc1ccc(C(=O)OCc2cc(=O)n3nc(C(C)C)sc3n2)cc1 8607148 ZBSYKIHSLRKQQS-UHFFFAOYSA-N 428.514 3.616 0 40 IHAB COc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3cccc(F)c3)c3ccccc32)c(OC)c1 8927780 YTUXUQKLNFDICM-RUZDIDTESA-N 435.451 3.850 0 40 IHAB CCCOc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCO)cc1OCC 9409285 JWIJDPLCZQQBDH-HSZRJFAPSA-N 437.496 3.507 0 40 IHAB CN(C)S(=O)(=O)c1cccc(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)c1 9507070 ZFHXCZUPYQONNN-UHFFFAOYSA-N 437.732 3.915 0 40 IHAB COc1cc(-c2nnc(COC(=O)c3ccc4ncsc4c3)o2)cc(OC)c1OC 9508471 UKSHFCPGZLRJCI-UHFFFAOYSA-N 427.438 3.729 0 40 IHAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)Cn2ncc3ccccc3c2=O)cc1 9513587 DABNQOGENXPETA-XMMPIXPASA-N 438.487 3.783 0 40 IHAB CCOC(=O)c1c(NC(=O)[C@H](C)Sc2nnc(N)s2)sc2c1CC[C@H](C)C2 9597098 HVBAHOGBCKKYIM-IUCAKERBSA-N 426.589 3.603 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc(OC)ccc2OC)ccc1Cl 9662461 BFTKPDRULQLZCD-UHFFFAOYSA-N 426.922 3.640 0 40 IHAB Cc1nc2ccccc2c(=O)n1-c1ccc(NS(=O)(=O)c2ccc(F)cc2F)cc1 9707406 PXSKHAPFQQPOQH-UHFFFAOYSA-N 427.432 3.773 0 40 IHAB COc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2-n2cccc2)cc1OC 9737892 PSYQGMKKPRIKCQ-UHFFFAOYSA-N 449.536 3.730 0 40 IHAB COc1cc(CN(C)[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)ccc1OCc1ccccc1 9877228 VCPURNOUDGEQSQ-SFHVURJKSA-N 447.535 3.832 0 40 IHAB CCCNC(=O)NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 9983823 GEDVHYTYVLIPJM-UHFFFAOYSA-N 433.921 3.568 0 40 IHAB Fc1ccc(-c2nnc(SCc3nnnn3-c3ccccc3)n2C[C@@H]2CCCO2)cc1 10213514 NZFKDDWUDBXBGW-SFHVURJKSA-N 437.504 3.531 0 40 IHAB O=C1NCC2(CCC(C(=O)NCCc3ccc(F)cc3)CC2)Oc2ccc(Cl)cc21 12087252 URPHLEHMWANHQB-UHFFFAOYSA-N 430.907 3.889 0 40 IHAB CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(CC)C(=S)N2CCc2ccccc2)cc1 12411332 YLCBHJVFRHHRLT-NRFANRHFSA-N 439.581 3.864 0 40 IHAB C[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)[C@H]1CCCO1 12521278 VLWSNLHDWWXUCK-FZKQIMNGSA-N 442.459 3.804 0 40 IHAB COc1ccc(-c2cc(NS(=O)(=O)c3ccc(CNC(C)=O)cc3)ccc2OC)cc1 12548555 FIRLKJVNVHQADY-UHFFFAOYSA-N 440.521 3.808 0 40 IHAB CCOc1ccccc1NC(=O)CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 12550582 UAXBDPCWQMASKU-UHFFFAOYSA-N 442.869 3.913 0 40 IHAB CC(C)n1ncc2c(C(=O)N3Cc4ccccc4C[C@H]3C(N)=O)cc(-c3ccccc3)nc21 12686840 QVDFWJAVPNPYAI-QHCPKHFHSA-N 439.519 3.732 0 40 IHAB O=C(c1ccc(-n2cccn2)cc1)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 13005829 IAIRISNFLRMYOW-UHFFFAOYSA-N 435.487 3.951 0 40 IHAB Cc1cc(C(=O)Cn2cnc3sccc3c2=O)c(C)n1C[C@H]1COc2ccccc2O1 13074563 IGFPUPUZRQXHHP-INIZCTEOSA-N 435.505 3.599 0 40 IHAB C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 13674485 GJECTVZISZRYOK-UZUQRXQVSA-N 434.517 3.621 0 40 IHAB COc1cc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccc(O)cc2)c(OC)cc1Cl 13839351 WOGDAYBNLAGOSA-IBGZPJMESA-N 441.875 3.582 0 40 IHAB Cc1ccc(C(=O)CCC(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)cc1C 14229087 NIVXDHVLPPPDCO-UHFFFAOYSA-N 435.568 3.666 0 40 IHAB CCOc1cc(C(=O)Oc2ccc(C(C)=O)cc2)ccc1OCC(=O)N1CCCCC1 14463715 YIPOJLGXWSNKOA-UHFFFAOYSA-N 425.481 3.898 0 40 IHAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc2c(c1)NC(=O)[C@H]1CCCN21 15664419 HBNWJQYPCCICSF-OAQYLSRUSA-N 442.523 3.845 0 40 IHAB O=C(O)c1ccc(CN2C[C@H](O)C[C@H]2c2nc(-c3ccc(OC(F)(F)F)cc3)no2)cc1 15675038 JCAUKNIZMJDYBG-WBVHZDCISA-N 449.385 3.641 0 40 IHAB biogenic,in-vitro COc1ccc(N(CC(=O)N2c3ccccc3C[C@H]2C)S(=O)(=O)c2cccs2)cc1 16695130 VRFMGBNDMSUNRD-MRXNPFEDSA-N 442.562 3.930 0 40 IHAB O=C(CCC(=O)N1CCN(Cc2ccccc2F)CC1)c1ccc(Br)cc1 17844402 GEQVHGKMUDHJMS-UHFFFAOYSA-N 433.321 3.896 0 40 IHAB Cc1cc(CC(=O)N2CCC(c3cc4nc(C)cc(C(F)(F)F)c4c(O)n3)CC2)on1 19120364 OFEOYUAVNZITKT-UHFFFAOYSA-N 434.418 3.908 0 40 IHAB Cc1nc(C)c(CC(=O)N2CCC(c3cc(C(=O)NCc4cccs4)on3)CC2)s1 19560381 ZUOASJQCOHJRMQ-UHFFFAOYSA-N 444.582 3.688 0 40 IHAB Cc1nnc2n1C[C@@H](c1cccc(C(=O)N3CCN(CCCc4ccccc4)CC3)c1)CC2 19698196 AAYCACHHINDFNM-VWLOTQADSA-N 443.595 3.707 0 40 IHAB Cc1cnc(C(=O)N2CCC[C@H](c3nc(C)c4c(n3)N(Cc3ccccc3)CCC4)C2)cn1 19706559 DNSTWCSKKQXBAF-NRFANRHFSA-N 442.567 3.856 0 40 IHAB Cn1c(=O)oc2cc(S(=O)(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc21 19936675 JCNNOMNVHMPOID-UHFFFAOYSA-N 440.321 3.970 0 40 IHAB Cc1ccc(-c2cc(C(=O)N(Cc3cccs3)[C@@H]3CCS(=O)(=O)C3)no2)cc1F 20898231 ODXMBKFVDPIWAU-OAHLLOKOSA-N 434.514 3.680 0 40 IHAB COc1cccc(OCC(=O)N2CCN(Cc3nc(-c4ccc(F)cc4)cs3)CC2)c1 21687397 NFFQFIUQUDSWON-UHFFFAOYSA-N 441.528 3.681 0 40 IHAB CCCNC(=O)CSc1nnc(SCc2nc(-c3ccc(OC)cc3)no2)s1 22093886 JGBOECNIDSEPSO-UHFFFAOYSA-N 437.572 3.507 0 40 IHAB COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N1CCN(CCOc2ccccc2)CC1 22914635 QYQYSCAWEAGDNM-SFHVURJKSA-N 431.964 3.681 0 40 IHAB O=C(CNc1ccc(C(F)(F)F)cc1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 23708922 NHXKDDDJTJVLCH-UHFFFAOYSA-N 441.475 3.931 0 40 IHAB COc1ccc(CN2CCN(C(=O)c3ccccc3NC(=O)c3ccco3)CC2)cc1F 23881979 JLSTZXWCTGWKPP-UHFFFAOYSA-N 437.471 3.638 0 40 IHAB CSCC[C@H](C(=O)Nc1nc2ccc(F)cc2s1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 24342756 JNZKBOVMUMNORJ-KCQAQPDRSA-N 435.546 3.671 0 40 IHAB Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N(C)Cc3cnn(C)c3)c2)cc1C 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Cc1ccc(O)c(S(=O)(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)c1 40155894 ODVWWNGBFCIQMV-UHFFFAOYSA-N 444.340 3.546 0 40 IHAB Cc1cn2c(=O)cc(COc3ccccc3NC(=O)COc3ccccc3C)nc2s1 41085747 MZTLGVXMJAUHRJ-UHFFFAOYSA-N 435.505 3.969 0 40 IHAB COc1ccc(-c2ccc(=O)n(CC(=O)c3c(C)n(C)c4ccc(OC)cc34)n2)c(F)c1 44889828 KONLLDYGFZYUFD-UHFFFAOYSA-N 435.455 3.750 0 40 IHAB C[C@H](NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1)c1ccc(F)cc1 44934300 ISPISALPBGZFFI-VBKZILBWSA-N 434.533 3.528 0 40 IHAB Cc1ccc(C)c(N(CC(=O)N[C@@H](CC(C)C)c2ccccc2)S(=O)(=O)N(C)C)c1 44949033 VMQVNSIQKVFYGW-NRFANRHFSA-N 431.602 3.820 0 40 IHAB CCCSc1ncc(Br)c(C(=O)NCC(=O)Nc2ccc(CC)cc2)n1 46087011 LXDSUQPOIMDLHV-UHFFFAOYSA-N 437.363 3.672 0 40 IHAB CC(=O)c1ccc(NC(=O)Cn2cccc(-c3nc(-c4ccc(F)cc4)no3)c2=O)cc1 49002423 PRGAQODQHVDVFS-UHFFFAOYSA-N 432.411 3.546 0 40 IHAB C[C@@]1(c2cc(F)ccc2F)NC(=O)N(Cc2nn(-c3ccc(F)cc3)c3c2CCC3)C1=O 70008883 KVQUJTQFLXUVOW-QHCPKHFHSA-N 440.425 3.746 0 40 IHAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)C1=NN(C(C)C)C(=O)CC1)CC2 72271680 WDVDZMICNBPQRN-JOCHJYFZSA-N 441.553 3.626 0 40 IHAB Cc1ccc(CNC(=O)C2CCN(C(=O)c3ccc([S@@](=O)C(C)C)cc3)CC2)cc1F 72294500 GYACFBLHKVVMQX-WJOKGBTCSA-N 444.572 3.819 0 40 IHAB COc1ccccc1OCCCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2N1 72327077 BZYGWHMVYBXXEH-PGKGOOGGSA-N 449.551 3.568 0 40 IHAB CCNC(=O)C1(Cc2ccccc2-c2cccs2)CCN(C(=O)c2cnn(C)c2)CC1 72345063 CWIQEFXIGABESI-UHFFFAOYSA-N 436.581 3.750 0 40 IHAB Cc1nc([C@H]2CCCN2C(=O)c2cnn(C)c2C)nc2c1CCCN2CCc1ccccc1 72372893 ZBSGDAHMQXJMOP-HSZRJFAPSA-N 444.583 3.800 0 40 IHAB CC[C@H](NC(=O)CN1CCN(CCOc2ccc(Cl)cc2)CC1)c1ccc(C)cc1 96833081 WLGHYKPPLHSCAD-QHCPKHFHSA-N 429.992 3.912 0 40 IHAB O=C(NCCN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O)c1ccc(Br)o1 97674626 ALWRIUBBKGEQOE-UKTHLTGXSA-N 439.262 3.648 0 40 IHAB CC(=O)c1ccccc1N/C=C\c1nnnn1-c1ccc(I)cc1 100068492 LGJDCOYTCNMEOT-KHPPLWFESA-N 431.237 3.552 0 40 IHAB COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3C(=O)N(c4ccccc4C)C(=O)[C@H]32)cc1 100848425 NPQUKPDHVRHFME-BQFCYCMXSA-N 438.530 3.549 0 40 IHAB Cc1ccc2c(c1)s/c(=N/C(=O)c1ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc1)n2C 100860568 YOWYYJJHHPDWBY-LSJZCYCUSA-N 443.594 3.852 0 40 IHAB COc1ccccc1-c1cc(C(=O)N[C@@H]2CCN(c3ccc(C(F)(F)F)cn3)C2)[nH]n1 206789226 RDGQBTGJGZGRAU-CQSZACIVSA-N 431.418 3.508 0 40 IHAB CC[C@H](C(=O)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21)N(c1ccccc1)S(C)(=O)=O 219086864 KDAFFMNLAXPSJK-WOJBJXKFSA-N 446.569 3.658 0 40 IHAB CC[C@H](NC(=O)[C@H](C)Oc1ccc(Br)cc1)c1ccc(S(C)(=O)=O)cc1 219690966 UFBHSSOVBFBNSA-UGSOOPFHSA-N 440.359 3.887 0 40 IHAB C[C@@H](C(=O)NCCSc1ccccc1)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 220192378 XCDBIGFIOHOADZ-AWEZNQCLSA-N 446.516 3.768 0 40 IHAB Cc1ccc(C)c(OCCNC(=O)CCCN(c2cccc(C)c2C)S(C)(=O)=O)c1 224038147 FZUOXSSKGAMKFM-UHFFFAOYSA-N 432.586 3.662 0 40 IHAB CSc1nnc(NC(=O)c2cccc(N(C)S(=O)(=O)c3ccc(C)cc3)c2)s1 224963601 FZXYTFFJGAXNIL-UHFFFAOYSA-N 434.568 3.646 0 40 IHAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc2c(c1)OCO2 225242128 KCAOHHIPZYHADJ-IAGOWNOFSA-N 428.504 3.819 0 40 IHAB Cc1cc(-c2cn(C)nc2[C@H]2CC[C@H](CNC(=O)Cn3nc(C(F)F)cc3C)CC2)on1 257246444 IUEGAWZWIADKJM-WKILWMFISA-N 446.502 3.916 0 40 IHAB CN(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)CC[C@H]3CCCO3)CC2)n1 257255704 KINMGXVAHJANLF-HMXCVIKNSA-N 437.588 3.954 0 40 IHAB CC[C@@H](C)C(=O)N1CCC[C@H]1c1cc2nc(C)c(CCC(=O)N3CCCC3)c(C)n2n1 257257860 KRJZIZXNVPLOAK-IERDGZPVSA-N 425.577 3.611 0 40 IHAB Cc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1OCC(=O)N1CCC(C)CC1 408635847 IWKXSJHLBJNOCT-UHFFFAOYSA-N 442.581 3.774 0 40 IHAB Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)c(C)c1 408666816 SSRISNAASUMTRS-PMACEKPBSA-N 432.476 3.555 0 40 IHAB COc1ccc(C(=O)Oc2ccc(Br)cc2/C=C2\SC(=N)NC2=O)cc1 408889569 FJGMMUFDQIWXAN-DHDCSXOGSA-N 433.283 3.816 0 40 IHAB COc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccccc3C)[C@H]2c2ccc(Cl)cc2)cc1 409059079 OVBONPFCSQLIQT-WSBKAMHLSA-O 448.930 3.673 0 40 IHAB O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1)Nc1ccc(F)c(Cl)c1 409139763 ONYZUDBCHSISKB-LLVKDONJSA-N 425.243 3.667 0 40 IHAB O=C(NC[C@H](O)c1ccc(-c2ccco2)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 585148194 YRPYXFMNFKSMHG-KRWDZBQOSA-N 434.370 3.634 0 40 IHAB COCCOc1cc(CN2CCC[C@](O)(COc3ccccc3F)CC2)ccc1OC 585269998 AESWWJSSUMPXSV-XMMPIXPASA-N 433.520 3.656 0 40 IHAB O=C(Nc1nc(-c2ccc3ccccc3n2)n[nH]1)C1CCN(C(=O)c2ccccc2)CC1 647771256 SZWCHCVNMWESRE-UHFFFAOYSA-N 426.480 3.511 0 40 IHAB COc1cc(CN2CCC3(CC2)OC(=O)N2CCN(Cc4ccccc4)C[C@@H]23)ccc1C 1549162758 VNBNVMIPCKQVBM-XMMPIXPASA-N 435.568 3.675 0 40 IHAB C[C@@]1(c2cccc(C(=O)Nc3ccc(Cl)cc3[C@@H](O)c3ccccc3)c2)NC(=O)NC1=O 1627842306 KQBTUYBSTKKUGR-RDPSFJRHSA-N 449.894 3.729 0 40 IHAB OCCCN1CCOC[C@@H](Cc2ccnc(Nc3ncc(-c4ccc(F)cc4)s3)c2)C1 2037849946 SNHVJJMAGMARNT-SFHVURJKSA-N 442.560 3.961 0 40 IHAB CCCn1ccc(C(=O)N2CCN(CC(C)C)CCCN(C(C)=O)c3ccccc3C2)n1 2037916048 JWBHZXWVNDNHTC-UHFFFAOYSA-N 439.604 3.650 0 40 IHAB CCOc1cc(/C=C2\N=C(c3ccc(OC)cc3)OC2=O)cc(Cl)c1OCC(=O)OC 623305 VEZMEOWTSMSQJQ-YVLHZVERSA-N 445.855 3.644 0 40 IHAB CCN(C1CCCCC1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 921123 KRNUMVFGRFBRRH-UHFFFAOYSA-N 428.620 3.595 0 40 IHAB COc1ccccc1NC(=O)c1c(C(=O)Nc2ccccc2)sc2nc(C)cc(=O)n12 1907067 FIKQGAMBXIOTJR-UHFFFAOYSA-N 434.477 3.578 0 40 IHAB COc1cc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3ncnn32)ccc1OC(F)F 2700341 FBZLDIUJHGUBPH-SFHVURJKSA-N 427.411 3.816 0 40 IHAB CCN(CC)C(=O)c1sc(NC(=O)c2cc3ccccc3oc2=O)c(C(=O)OC)c1C 2767048 PPRMIAQFKDQQEG-UHFFFAOYSA-N 442.493 3.684 0 40 IHAB COC(=O)N[C@H](NC(=S)Nc1cccc(Br)c1)C(Cl)(Cl)Cl 3168238 QTCZUQVQKWJSAL-QMMMGPOBSA-N 435.558 3.788 0 40 IHAB CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)OCc1nnc(-c2ccccc2)o1 3308596 ZBLBLFIVOVCNRQ-GOSISDBHSA-N 425.510 3.640 0 40 IHAB CC(=O)N(C)c1ccc(NC(=O)CCCCC(=O)Nc2ccc(N(C)C(C)=O)cc2)cc1 4195931 DBXGQSVYHBNEGN-UHFFFAOYSA-N 438.528 3.790 0 40 IHAB COc1ccccc1/C=[N+]1\NC(=O)[C@H](NC(=O)c2cccc(C)c2)[C@H]1c1ccc(Cl)cc1 8396297 MYVQODHDBOYLTR-VNGKGULCSA-O 448.930 3.673 0 40 IHAB COc1ccccc1NC(=O)Cn1c2c(sc1=O)[C@@H]1c3ccccc3OC[C@H]1CS2 8752060 OBURMPOKFSCBDA-DJJJIMSYSA-N 440.546 3.803 0 40 IHAB CS(=O)(=O)c1ncc(Cl)c(C(=O)N(Cc2ccc(Cl)cc2)Cc2ccco2)n1 8830883 USZAEOZGEKRCQU-UHFFFAOYSA-N 440.308 3.623 0 40 IHAB Cc1cccc(NC(=O)c2ccccc2NC(=O)CN(C)S(=O)(=O)c2cccs2)c1 8879930 SIQOLAPSSBQPPV-UHFFFAOYSA-N 443.550 3.568 0 40 IHAB O=C(COC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1)c1ccc(OC(=O)c2ccccc2)cc1 8924042 YEXOXBOQZQKKMM-HXUWFJFHSA-N 449.503 3.813 0 40 IHAB COc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccccc3F)c3ccccc32)c(OC)c1 8994204 AFESATRLYNGJMQ-VWLOTQADSA-N 435.451 3.850 0 40 IHAB COc1cc(C)ccc1OCc1nnc(S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)n1C 9304162 VNAHNLRXQLBSFE-AWEZNQCLSA-N 437.525 3.801 0 40 IHAB COc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1C(=O)N1CCCCCC1 9356167 ATJUCIVEBZVZLA-UHFFFAOYSA-N 436.961 3.843 0 40 IHAB Cc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccc(C(F)(F)F)cc4)nc32)cc1C 9739119 SPOCXXHGJYPYBW-UHFFFAOYSA-N 427.386 3.510 0 40 IHAB COc1ccc(N(CC(=O)N(C)Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1 9847001 MQUHVXSCGFLMMJ-UHFFFAOYSA-N 442.512 3.688 0 40 IHAB COc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccccc4)nc3cc2C)cc1OC 9906374 USJLTOQOFOPEKZ-UHFFFAOYSA-N 447.520 3.873 0 40 IHAB Oc1nnc(-c2ccc(Cl)cc2Cl)c2c1Nc1nnnn1[C@@H]2c1cccc(F)c1 10298188 QNDKWSDEUDNYTH-MRXNPFEDSA-N 430.230 3.976 0 40 IHAB C[C@H]1CCc2c(sc3nc([C@H](C)Sc4nnnn4Cc4ccco4)[nH]c(=O)c23)C1 11309544 VANPONMSLNQVJH-QWRGUYRKSA-N 428.543 3.591 0 40 IHAB CC1CCN(c2nnc(SCC(=O)N[C@@H]3CCCC[C@@H]3C)n2Cc2ccco2)CC1 11374037 AEPXPYMHCCPGDD-PKOBYXMFSA-N 431.606 3.943 0 40 IHAB COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(Cl)cc3)n2)cc1OC 11693365 XZFNUQAQGNGQSQ-UHFFFAOYSA-N 427.888 4.000 0 40 IHAB Cc1cc(C(F)(F)F)n2nc([C@H]3CCCN3C(=O)[C@@H](C)Cn3nc(C)cc3C)cc2n1 12230677 QFOFGEKEJSPALM-YVEFUNNKSA-N 434.466 3.870 0 40 IHAB C[C@H]1CN(c2ncc3c(n2)CC(C)(C)C[C@H]3NC(=O)Cc2ccc(F)cc2)C[C@@H](C)O1 12240874 XHJDBSXVOIKGCS-GQIGUUNPSA-N 426.536 3.602 0 40 IHAB C[C@H]1CN(C(=O)COC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)C[C@H](C)O1 12650776 ZJRZDWFDSHAJRB-KBPBESRZSA-N 437.418 3.637 0 40 IHAB O=C(C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N(Cc1ccc(F)cc1)C1CC1 12756998 UTUCXRDYIZURET-UHFFFAOYSA-N 434.508 3.557 0 40 IHAB O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 12783349 OMQNGOWLEPHWEZ-INIZCTEOSA-N 429.416 3.882 0 40 IHAB COc1ccc(OC)c(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)c1 12788284 CQLNFCOUZXKYSA-UHFFFAOYSA-N 438.933 3.784 0 40 IHAB CC[C@H](C)NC(=O)c1cccc(N2C(=O)N3CCc4c([nH]c5ccccc45)[C@@]3(C)C2=O)c1 12866945 FVCDBYPBZKFMLK-MQNRADLISA-N 430.508 3.936 0 40 IHAB biogenic COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc4c(c3)Cc3ccccc3-4)C2=O)cc1 12907863 TZUZTPUAXZSBKG-AREMUKBSSA-N 441.487 3.672 0 40 IHAB CCc1nc(C)c2c(C)c(C(=O)N3CCN(Cc4ccc(OC)c(F)c4)CC3)sc2n1 12909087 FYFNOAUMUZMVMC-UHFFFAOYSA-N 442.560 3.976 0 40 IHAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)[C@H]1CC(=O)N(Cc2ccccc2)C1 13028545 VJOVOYLDJDKHRP-FQEVSTJZSA-N 429.524 3.659 0 40 IHAB COc1ccc(Cn2nnnc2SCC(=O)N[C@@H](C)c2cccc3ccccc23)cc1 13128479 VTLBPCZMJYAVIV-INIZCTEOSA-N 433.537 3.853 0 40 IHAB COC(=O)c1cccc(NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c1 13674704 IAAYIGYXRSMNLI-UHFFFAOYSA-N 438.505 3.692 0 40 IHAB C[C@H](C(=O)Nc1cccc(Br)c1)N1CCC(C(=O)Nc2ccccc2O)CC1 15044933 MXYFMOOOMUOSHD-CQSZACIVSA-N 446.345 3.832 0 40 IHAB COc1ccc(S(=O)(=O)[C@H](CNC(=O)c2ccccc2OC)c2cccs2)cc1 15780874 FVXVIJYGWQAWJJ-HXUWFJFHSA-N 431.535 3.710 0 40 IHAB CCn1c(SCC(=O)Nc2ccc(NC(C)=O)cc2)nnc1-c1ccccc1OC 16807876 KJQTWJOQJGPTFS-UHFFFAOYSA-N 425.514 3.663 0 40 IHAB Cc1cccc2sc(NC(=O)CCc3csc(NC(=O)c4ccc[nH]c4=O)n3)nc12 16851242 LGWBZPAVNXDTBI-UHFFFAOYSA-N 439.522 3.573 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(c3nc(-c4ccccc4Cl)no3)CC2)cc1 16954400 YHCYHFWVFCUJKY-UHFFFAOYSA-N 433.917 3.967 0 40 IHAB C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2)C1=O)c1cc2ccccc2o1 18410922 HXGCFWPGADJFRW-WHEQGISXSA-N 425.872 3.731 0 40 IHAB CCNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)c2cncc(N)c2)C1 19528587 JBLRTFWPLNQGNS-VWLOTQADSA-N 448.592 3.994 0 40 IHAB COc1ccc(CC(=O)NCCn2ncc(-c3cnccn3)c2-c2cccs2)cc1F 19559601 ZYUCDSIGSMBZLG-UHFFFAOYSA-N 437.500 3.575 0 40 IHAB CN(C)C(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)Cc2cccnc2)C1 19579208 UWZVYOLFOBAFIB-MHZLTWQESA-N 442.563 3.626 0 40 IHAB CNC(=O)[C@@]1(Cc2ccc(-c3ccc(OC)cc3)cc2)CCCN(C(=O)c2cccnc2)C1 19591220 PTEWYZWABLZZRW-HHHXNRCGSA-N 443.547 3.968 0 40 IHAB Cc1nonc1CC(=O)N1CCO[C@H](c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)C1 19692329 DYSLPENEWWUJPS-FQEVSTJZSA-N 446.429 3.525 0 40 IHAB CCCCN(C)c1nnnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 19707611 DQUKXEACRPSDBI-UHFFFAOYSA-N 442.589 3.559 0 40 IHAB Cc1nc([C@H]2CCCN2C(=O)Cc2c(C)[nH]c3ccc(Cl)cc23)ncc1C(=O)N(C)C 19756063 CCYXHKPDTVLDJI-HXUWFJFHSA-N 439.947 3.836 0 40 IHAB CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc2c(c1)CCN2C(C)=O 22274467 IABWXWPGLVEBCD-UHFFFAOYSA-N 439.331 3.558 0 40 IHAB CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)N(C)CCOc1ccc(Cl)cc1 22515432 DIVLHYQRJGMHFG-KRWDZBQOSA-N 431.964 3.699 0 40 IHAB CC(=O)c1ccc(C(=O)N(CCN2CCOCC2)c2nc3c(F)cc(F)cc3s2)cc1 22998585 REFUWWWKVNCZRV-UHFFFAOYSA-N 445.491 3.756 0 40 IHAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc(-c3ccc(F)cc3)o2)c1 24830851 RTOODQGRXYZBIP-UHFFFAOYSA-N 436.892 3.919 0 40 IHAB CCCCc1ccc([C@@H](NC(=O)C2CCN(c3ccc4nnnn4n3)CC2)C(C)C)cc1 25264527 OEAUXYQYVWLPHN-QHCPKHFHSA-N 435.576 3.592 0 40 IHAB Cc1ccccc1[C@H](OC[C@@H](O)Cn1c(CC(N)=O)nc2ccccc21)c1ccccc1 25265813 DQMGHLXEJCVLEK-RXFWQSSRSA-N 429.520 3.540 0 40 IHAB COc1ccc(F)cc1S(=O)(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 25767262 YDVLULYTIWMHJU-UHFFFAOYSA-N 440.540 3.930 0 40 IHAB CCn1c(=O)c2ccccc2n2c(CSc3nnc4cc(C)c5ccccc5n34)nnc12 29354475 DIYXBBPPSOFBCY-UHFFFAOYSA-N 441.520 3.861 0 40 IHAB CCn1c(SCC(=O)Nc2nc3cc4c(cc3s2)OCCO4)nnc1-c1ccco1 29847444 LJHIZZAMMAGNPG-UHFFFAOYSA-N 443.510 3.670 0 40 IHAB CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 30756631 WOHLOSKBPHDMRQ-INIZCTEOSA-N 425.510 3.851 0 40 IHAB Cc1ccc(N(CCC#N)C(=O)COC(=O)c2cccc(Nc3ncccn3)c2)cc1C 30837523 CTCNKFBZIWLSJN-UHFFFAOYSA-N 429.480 3.941 0 40 IHAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@@H](c1ccc(C(F)(F)F)cc1)SCC(=O)N2 31807319 LLKZZFIGSVQDLH-OAHLLOKOSA-N 445.430 3.641 0 40 IHAB O=C(c1cccc(S(=O)(=O)Nc2ccccc2F)c1)N1CCC[C@H]1c1cccnc1 31939575 SCVMUTSUPBXZEJ-NRFANRHFSA-N 425.485 3.999 0 40 IHAB O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cc(-n2cnnn2)ccc1Br 32069563 ILSKPANVOMEHHC-UHFFFAOYSA-N 445.708 3.532 0 40 IHAB Cc1ccc(C)c(C(=O)[C@@H](C)OC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c1 32776947 MOZZAILXTVEFQQ-IAGOWNOFSA-N 435.567 3.580 0 40 IHAB CC1CCN(c2nnc(S[C@H](C(=O)N3CCOCC3)c3ccccc3)n2C2CC2)CC1 32876412 WZYFHKLCVBSKOL-FQEVSTJZSA-N 441.601 3.542 0 40 IHAB COc1cc(Br)c(OC)c(C(=O)N2CCC[C@H](c3nnc4ccccn34)C2)c1 32906608 OLCPIGRPAPWQTG-ZDUSSCGKSA-N 445.317 3.529 0 40 IHAB C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CCC(c2nnc3ccccn23)CC1 33228603 ONHDLVLFJDGAGQ-ZDUSSCGKSA-N 447.308 3.804 0 40 IHAB CCOc1c(Cl)cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1Cl 34887792 IYWNVPWLMNLOTQ-ZSOIEALJSA-N 439.251 3.865 0 40 IHAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](C)Oc1ccc(Br)cc1 36892399 MGYDYMMUQKSLGE-BFUOFWGJSA-N 445.313 3.598 0 40 IHAB Cc1ccc(N2C(=O)C[C@@H](C(=O)OCC(=O)NCc3ccco3)[C@@H]2c2cccs2)cc1 39964458 GVRXCQLQDWOHFS-XMSQKQJNSA-N 438.505 3.603 0 40 IHAB CCOC(=O)C1=C(C)Nc2nc(SC)[nH]c(=O)c2[C@H]1c1ccc(Br)cc1 44973702 WSDIXOAVYPAFQU-ZDUSSCGKSA-N 436.331 3.649 0 40 IHAB COC(=O)c1cc(Cl)c(NC(=O)N(Cc2cccnc2)C[C@@H]2CCCO2)cc1OC 57997412 XEZMYHRFBHEZIV-HNNXBMFYSA-N 433.892 3.743 0 40 IHAB CC(C)(C)OC(=O)CCCCCNC(=O)CCNC(=O)c1ccc(Br)cc1 72303191 FRXTWRLHNZUMQT-UHFFFAOYSA-N 441.366 3.587 0 40 IHAB O=C(c1cnc2ccc(F)cc2c1N1CCN(c2ccccc2)CC1)N1CCSCC1 72328413 VUCTZANTZUCJGL-UHFFFAOYSA-N 436.556 3.890 0 40 IHAB CC(C)Cn1ncc2cc(C(=O)N[C@H](C)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)cnc21 95958253 BCRYTILPTLAKFG-SJORKVTESA-N 429.565 3.853 0 40 IHAB Cc1cccc(-c2noc(SCC(=O)N3CC[C@H](N(C)C(=O)OC(C)(C)C)C3)n2)c1 95993697 IMPPEZDDMHEXQD-INIZCTEOSA-N 432.546 3.605 0 40 IHAB Cc1cc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)ccc1OCCO 96008213 QJHFHAGEJDAHKJ-UHFFFAOYSA-N 444.484 3.558 0 40 IHAB Cc1cc(-c2cnc(C(C)C)nc2[C@H]2CC[C@H](CNC(=O)c3ccn(C)c(=O)c3)CC2)on1 100743868 LMKUGNYSBUQBGA-HDICACEKSA-N 449.555 3.966 0 40 IHAB CC(=O)c1ccc(OC(=O)c2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H]([C@H]6C[C@H]56)[C@H]4C3=O)cc2)cc1 101231847 USQQQIOFMAIXEB-UKIRVEGOSA-N 427.456 3.666 0 40 IHAB Cc1ccccc1NC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 102086402 YYCNDNTZYYMKCN-VXKYFNEPSA-N 426.516 3.598 0 40 IHAB CC(=O)c1cccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H]([C@H]6C[C@H]56)[C@H]4C3=O)c2)c1 102530747 GZKUFCZDPHINBR-UKIRVEGOSA-N 426.472 3.699 0 40 IHAB CC(C)CNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 104741801 KKOHCUVXMYLOJZ-FHWLQOOXSA-N 449.617 3.540 0 40 IHAB CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=S)NC(=O)c2ccccc2)CC1 106377064 BEQBTAQDMUFCOD-UHFFFAOYSA-N 430.961 3.525 0 40 IHAB C[C@@H](c1ccccc1)N1C[C@@H](C(=O)OCC(=O)Nc2cccc(C(F)(F)F)c2)CC1=O 139010753 LTXOXKLJQDEEFS-HOCLYGCPSA-N 434.414 3.797 0 40 IHAB CC[C@@H](C(=O)N[C@H]1CC(C)(C)Oc2ccc(OC)cc21)N(c1ccccc1)S(C)(=O)=O 219086930 KDAFFMNLAXPSJK-PMACEKPBSA-N 446.569 3.658 0 40 IHAB CC(C)Oc1ccc(CCCNC(=O)[C@@H](C)N(c2ccccc2F)S(C)(=O)=O)cc1 220316534 YMHUSXWVTUIKAK-QGZVFWFLSA-N 436.549 3.516 0 40 IHAB CC[C@@H](C(=O)Nc1cc(OC)ccc1OC)N(c1cc(Cl)ccc1C)S(C)(=O)=O 220710354 SGOFGPHUPSTUEX-KRWDZBQOSA-N 440.949 3.849 0 40 IHAB Cc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OCC(=O)N(C)c1ccccc1 222780766 MGORWLBZRXMSOC-UHFFFAOYSA-N 436.533 3.788 0 40 IHAB Cc1ccc(C)c(N([C@@H](C)C(=O)NCCOc2ccc(C)c(Cl)c2)S(C)(=O)=O)c1 224145167 DVHWJAWHJNDAHQ-KRWDZBQOSA-N 438.977 3.615 0 40 IHAB COc1ccc(CC(=O)N(Cc2ccc(Br)cc2)[C@H](C)C(=O)NC(C)C)cc1 224730108 CLXZNQLUNHXGOL-MRXNPFEDSA-N 447.373 3.942 0 40 IHAB COc1ccccc1N1CCN(C(=O)c2ccc(C)cc2I)CC1 225011545 QCZSYWIWNROLNG-UHFFFAOYSA-N 436.293 3.571 0 40 IHAB CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccc(Cl)cc1 225470443 KZWLCOSQBKBYMW-ZDUSSCGKSA-N 439.737 3.645 0 40 IHAB CC1CCN(c2cc(N3CCC(C)CC3)nc(NC(=S)NCc3cccnc3)n2)CC1 225940236 IBBJWPSZDOQJNE-UHFFFAOYSA-N 439.633 3.831 0 40 IHAB COc1ccc(F)cc1-c1ccc(C[C@@]2(C(=O)NCCCn3ccnc3)CCCO2)cc1 257216786 CWAXMHJATPYXBL-RUZDIDTESA-N 437.515 3.996 0 40 IHAB CC(=O)N[C@H](C(=O)N1CC[C@H]2O[C@H]3c4ccc(C)cc4OC(C)(C)[C@@H]3C[C@H]2C1)C(C)C 257315840 VCZCMTSFZZBPSO-GWMFYKKISA-N 428.573 3.621 0 40 IHAB CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccccc2F)CC1 408562078 XRJYEPIMYSLYPS-UHFFFAOYSA-N 440.924 3.917 0 40 IHAB CCOc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1 409061172 XQUSNTQFAPMSPS-VIXBWKJWSA-O 448.930 3.755 0 40 IHAB CCOc1ccccc1NC(=O)/C=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1 409191460 IALOROMZQPWDPQ-CCEZHUSRSA-N 426.494 3.809 0 40 IHAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)ccc1OC 409221089 KSNLKVRHGXQOLC-VCHYOVAHSA-N 430.457 3.908 0 40 IHAB COc1cc2c(cc1OC)CC(=O)N(CC(=O)N[C@@H]1CCCc3c1[nH]c1ccccc31)C=C2 524729141 FUIOUNLGTBJHJW-OAQYLSRUSA-N 445.519 3.734 0 40 IHAB biogenic O=C(NC[C@@H]1CC[C@H]2CN(C(=O)c3cccnc3)c3ccccc3CN12)c1cccs1 585110152 PWJFRGLYNLJZFP-PMACEKPBSA-N 432.549 3.567 0 40 IHAB CCN1CCN(C(=O)c2ccc(N(C)C)cc2)[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O 585169021 OFONLVRTVNWVBZ-RUZDIDTESA-N 442.563 3.730 0 40 IHAB CCN1CCN(C(=O)c2cccc(N(C)C)c2)[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O 585169025 OYOFPGUHPOWGJO-RUZDIDTESA-N 442.563 3.730 0 40 IHAB COCC(=O)N1CCCCCCCNCc2cc(C(=O)NCc3ccc(C)cc3)ccc21 643584466 NJMDJBHTEJFEGI-UHFFFAOYSA-N 437.584 3.958 0 40 IHAB CCOCCCNC(=O)[C@H](Cc1ccnc2ccccc12)NC(=O)C1CCC(C)CC1 1505840677 OSKYNIOWRMAQPK-XWEVFREBSA-N 425.573 3.631 0 40 IHAB Cc1nc(O)c2ccc(C(=O)Nc3cccc(NC(=O)CN4CCCCCC4)c3)cc2n1 1527664668 HPSHBEZJEOTZRD-UHFFFAOYSA-N 433.512 3.711 0 40 IHAB Cc1ccc(CNC(=O)[C@@H]2C[C@]3(CO2)CN(Cc2cccc(C(F)(F)F)c2)CCO3)cc1 2056226613 WFDUKOVKFNJQHK-JTHBVZDNSA-N 448.485 3.690 0 40 IHAB CCn1c(CCNC(=O)c2cccs2)nnc1SCC(=O)Nc1ccc(Cl)cc1 633887 KJZMVOKKXRASJJ-UHFFFAOYSA-N 449.989 3.716 0 40 IHAB Cc1sc2nc(SCC(=O)N3CCOCC3)n(-c3ccc(Cl)cc3)c(=O)c2c1C 686580 NQMQTTLVDLRHHP-UHFFFAOYSA-N 449.985 3.668 0 40 IHAB CCOc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2(C(=O)O)c2ccccc21 849899 ANZGRBZHUYMSGD-KWMZMRFFSA-N 439.467 3.721 0 40 IHAB COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1OC 952000 FPZGQIGMLVLTPJ-ONNFQVAWSA-N 445.522 3.613 0 40 IHAB O=S(=O)(c1ccccc1Br)N1CCN(c2nc3ccccc3s2)CC1 1351295 QMBNRBMLKXJBQT-UHFFFAOYSA-N 438.372 3.570 0 40 IHAB CCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(CC)cc(=O)oc2c1 2092276 KFVRFXPTZCOWKF-FQEVSTJZSA-N 443.521 3.716 0 40 IHAB biogenic CCOC(=O)[C@H](CC(C)C)NC(=O)/C(=C/c1ccc(F)cc1)NC(=O)c1ccccc1 2978619 IVIZZMQBVOENKB-LDVBQKTRSA-N 426.488 3.691 0 40 IHAB Cc1noc(C)c1COC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1 3246627 DKDGLTCLCCJFQS-CQSZACIVSA-N 426.494 3.788 0 40 IHAB O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)Nc1ccccc1N1CCCCC1 3298340 CKQURGSVEIVJSF-UHFFFAOYSA-N 433.599 3.704 0 40 IHAB COc1ccc(-c2nnc(S[C@H](C)C(=O)N3CCc4ccccc4C3)o2)cc1OC 3369011 JFOZOLIZGMZHHE-CQSZACIVSA-N 425.510 3.819 0 40 IHAB Cc1cc(NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)ccc1Br 3388010 RPPFLCOFXIKYNR-UHFFFAOYSA-N 431.739 3.816 0 40 IHAB CC(C)Cn1c(SCC(=O)Nc2ccc(C(N)=O)cc2)nnc1-c1ccccc1F 3457753 AXEHUUWUTCTWRB-UHFFFAOYSA-N 427.505 3.570 0 40 IHAB COc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1OC 3480701 PMIYEMYQCGFFHA-UHFFFAOYSA-N 445.427 3.544 0 40 IHAB CC(=O)N/C(=C/c1ccccc1)C(=O)OCC(=O)NC(c1ccccc1)c1ccccc1 3493188 KAANNYHDQXISBD-HAVVHWLPSA-N 428.488 3.613 0 40 IHAB O=C(NC1CCCCC1)N[C@H]1CCN2C(=O)c3cc(-c4cccs4)ccc3NC(=O)[C@H]12 8296743 ACRMDFKGMZUQKS-ICSRJNTNSA-N 438.553 3.582 0 40 IHAB biogenic,in-vitro CCCSc1ncc(Cl)c(C(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)n1 8868525 VOBWGLLSVCQQNQ-GFCCVEGCSA-N 446.019 3.523 0 40 IHAB CCOC(=O)C[C@@H](NS(=O)(=O)c1ccc(Cl)c(OC)c1)c1ccccc1Cl 8955718 LQUALTJKQCBKHN-MRXNPFEDSA-N 432.325 3.975 0 40 IHAB COc1ccc(C2=NO[C@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)c2ccccc2)cc1OC 9129719 OKJZJSRGAFIJLG-BWKNWUBXSA-N 428.444 3.785 0 40 IHAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N(c3ccccc3)c3nc(C)cs3)C2=O)cc1 9172472 UYTFBVGXRYYUDI-QHCPKHFHSA-N 434.521 3.892 0 40 IHAB COc1cc(-c2nnc3n(Cc4ccccc4)c(=O)c4ccccc4n23)cc(OC)c1OC 9252081 PDLXZSJSROFHTG-UHFFFAOYSA-N 442.475 3.785 0 40 IHAB Cc1ccc(/C=C/C(=O)N(Cc2cccc(Br)c2)[C@H]2CCS(=O)(=O)C2)cc1 9290982 YVCZWZIKPBNGDI-XTXLJPNXSA-N 448.382 3.987 0 40 IHAB CCCN1C(=O)[C@@H](Cc2nc3ccccc3c(=O)n2C)c2cc(Br)ccc21 9410055 FNDWLTXJNAELBY-INIZCTEOSA-N 426.314 3.779 0 40 IHAB Cc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)S(=O)(=O)c2ccc(Cl)cc2)cc1 9740739 MUPSIJLTDNELBG-IBGZPJMESA-N 439.942 3.735 0 40 IHAB CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](c3ccccc3)C3CC3)CC2)cc1 11214940 AFHAYSOQSSSTSM-HSZRJFAPSA-N 440.565 3.557 0 40 IHAB O=C(CCC(=O)N1CCC(c2ccccc2)=N1)Nc1cccc(NC(=O)c2ccco2)c1 11361415 SZPBPAHONCZFAR-UHFFFAOYSA-N 430.464 3.887 0 40 IHAB COc1ccc(OC)c([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCN(C)C)c1 11614660 VVWQYLKLXFYANX-HXUWFJFHSA-N 442.899 3.570 0 40 IHAB CCOC(=O)C1CCN(c2ncc(-c3nccn3C)c(-c3ccc(Cl)cc3)n2)CC1 12143416 QSHPQVQAMYUXKP-UHFFFAOYSA-N 425.920 3.977 0 40 IHAB CC(=O)c1ccc(NC(=O)Cn2nc(C(C)C)c3cnn(-c4ccccc4C)c3c2=O)cc1 12229076 RAWPPOGEXUXONI-UHFFFAOYSA-N 443.507 3.855 0 40 IHAB O=C1C[C@H](c2nc(-c3ccc(Br)cc3)no2)CN1c1ccc2c(c1)OCCO2 12414376 ZDGDDTYBKWGJMA-ZDUSSCGKSA-N 442.269 3.791 0 40 IHAB Cc1cc(NC(=O)CN(C)Cc2ccccc2N2CCOCC2)ccc1Br 12516872 NYZQILUKSPXDEB-UHFFFAOYSA-N 432.362 3.665 0 40 IHAB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NC3CCN(C(C)C)CC3)cc2)cc1C 12561180 IWKYZHQIEVLNPA-UHFFFAOYSA-N 429.586 3.707 0 40 IHAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3cccc(Cl)c3)c12 12776504 KWYBUCATVQOPPL-MRXNPFEDSA-N 444.944 3.882 0 40 IHAB CCn1c(SCN2C(=O)c3ccccc3C2=O)nc2sc3c(c2c1=O)CCCC3 12843615 DAJCJKYEZQMCQH-UHFFFAOYSA-N 425.535 3.703 0 40 IHAB COc1ccccc1[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)c1csnn1 12871757 ONDDQWDDMVPULF-HXUWFJFHSA-N 438.553 3.845 0 40 IHAB Cc1nc(SCC(=O)Nc2ccccc2OCC(F)(F)F)c(C(N)=O)c(C)c1C 12900623 SGDATEASLULKLR-UHFFFAOYSA-N 427.448 3.778 0 40 IHAB Cc1ccc(NC(=O)CN(C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1Br 12931476 AXGSJWGBXAIFPB-OAHLLOKOSA-N 428.334 3.970 0 40 IHAB O=C(/C=C/c1ccc(Cl)cc1Cl)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 12989188 SIYDJIPUOBQFPL-VQHVLOKHSA-N 439.364 3.681 0 40 IHAB COc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1S(N)(=O)=O 13097583 MFUQCHPBUQQLHI-UHFFFAOYSA-N 439.518 3.872 0 40 IHAB C[C@H](Sc1nc(-c2ccc(Br)cc2)nc2ccccc12)C(=O)NC(N)=O 13112772 QFNVERBZRJPKTP-JTQLQIEISA-N 431.315 3.735 0 40 IHAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)Cn2ncc(=O)c3ccccc32)cc1 13120924 MARHEICFEIIWMU-DEOSSOPVSA-N 438.487 3.783 0 40 IHAB Fc1ccc(Cn2nnnc2[C@H](c2ccccc2)N2CCN(c3ccc(F)cc3)CC2)cc1 13504745 BNQLRUKIPUXWAL-DEOSSOPVSA-N 446.505 3.911 0 40 IHAB CCOc1ccc(-c2nnc(N(CCOC)C(=O)c3cccc(OC)c3OC)s2)cc1 13563265 NUTZTFUZWCYAPZ-UHFFFAOYSA-N 443.525 3.914 0 40 IHAB CC(C)(C)NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1 13940647 RMHWRQUCWVQZGJ-UHFFFAOYSA-N 431.396 3.687 0 40 IHAB O=C(CSCc1ccccc1Br)Nc1ccccc1C(=O)N1CCOCC1 14412930 OHFJIFZLMDNSKJ-UHFFFAOYSA-N 449.370 3.793 0 40 IHAB COCc1c(C(=O)OCC(=O)N(C)Cc2cnn(-c3ccccc3)c2)oc2ccccc12 14705952 OYUBGBOAKVWMBU-UHFFFAOYSA-N 433.464 3.580 0 40 IHAB O=C(CNC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)Nc1ccc(F)c(F)c1 15538211 CQNNLOWGGWIHIX-OAQYLSRUSA-N 436.414 3.788 0 40 IHAB Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@@H]2CCCN2C(=O)Cc2ccc(F)cc2)n1 19290213 IRBSXBQNVHZKGL-NRFANRHFSA-N 434.519 3.523 0 40 IHAB COc1cccc(-c2cnc(NC[C@@H]3COc4ccccc4O3)nc2-c2nccn2C)c1 19291639 QEQKRNBKBGWCIP-GOSISDBHSA-N 429.480 3.805 0 40 IHAB CC(C)c1nc(N2CCC(NC(=O)c3ccn(C(F)F)n3)CC2)ncc1-c1ccncc1 19451661 GAYAIEKGQGITBV-UHFFFAOYSA-N 441.486 3.652 0 40 IHAB C[C@@H]1Cc2cc([C@@H](O)CN3CC=C(c4ccc(Cl)cc4)CC3)ccc2N1S(C)(=O)=O 19497847 PYPHQEWBAGWPNV-MWTRTKDXSA-N 447.000 3.873 0 40 IHAB CC[C@@H](Oc1ccccc1OC)C(=O)N1CCC[C@@H](c2nc3ccccc3cc2C(N)=O)C1 19499378 JEWYTUJECMWKSR-WIYYLYMNSA-N 447.535 3.906 0 40 IHAB CCOc1ccccc1C(=O)N1CC[C@](Cc2ccccc2-c2cccnc2)(C(=O)NC)C1 19520024 RCEBZOLJJDYNPV-HHHXNRCGSA-N 443.547 3.968 0 40 IHAB CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N3CCc4ccccc4C3)cc2c1 19522939 LJEORVABIGZXPV-QHCPKHFHSA-N 442.567 3.980 0 40 IHAB C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H](C)Sc2nnnn2-c2ccc(OC(F)(F)F)cc2)C1 19542325 HLOGUQHTYWHEKH-JHJVBQTASA-N 429.468 3.546 0 40 IHAB CNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)c2snnc2C)C1 19563426 MTDZJJNEDWZGRK-JOCHJYFZSA-N 440.594 3.786 0 40 IHAB CCN1CCN(C(=O)c2cncn2CC)C[C@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 19578429 ZPUJRCUAZXEUPW-NRFANRHFSA-N 448.542 3.872 0 40 IHAB Cc1ccn(CCC(=O)N2CCC[C@H](c3nc(N(C)C)ncc3-c3ccccc3F)C2)n1 19694090 HJMHXBYVUOHYIE-SFHVURJKSA-N 436.535 3.650 0 40 IHAB CC(C)CCn1nnnc1[C@H](c1ccc(F)cc1)N1CCN(c2ccccc2F)CC1 20141999 KKJRTJDTVJSZMU-QFIPXVFZSA-N 426.515 3.909 0 40 IHAB CCCCSc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)CN(C)CC4 20437835 VBBAHNFAAQQGEU-UHFFFAOYSA-N 425.583 3.975 0 40 IHAB Cc1c(-c2nsc(NC(=O)c3ccco3)n2)nnn1-c1ccccc1Br 20848774 WWGXFECPAUBSNG-UHFFFAOYSA-N 431.275 3.702 0 40 IHAB COc1cc(CCC(=O)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc(OC)c1 21533463 AERKWMUBIGQUFO-UHFFFAOYSA-N 437.462 3.789 0 40 IHAB O=C(CSc1nc(CCC2CCCC2)n[nH]1)Nc1ccccc1S(=O)(=O)C(F)F 21823791 SKZQXTSWMKHBDE-UHFFFAOYSA-N 444.529 3.655 0 40 IHAB O=C(Cc1cc(Cl)c2c(c1)OCCCO2)Nc1cccc(-c2nnnn2C2CC2)c1 22550616 RBMNUEWMYSAAIV-UHFFFAOYSA-N 425.876 3.671 0 40 IHAB COc1ccc(S(=O)(=O)N(C)CCCC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)cc1 23507726 MTNYJTKRBNFABX-HNNXBMFYSA-N 440.512 3.594 0 40 IHAB COc1cc2nc(CN3CCC[C@H](c4nc5ccccc5s4)C3)[nH]c(=O)c2cc1OC 23935570 WCOYNFSPCXGCAD-AWEZNQCLSA-N 436.537 3.930 0 40 IHAB CC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)c1 24608709 PSXLMTPJBDEXMH-UHFFFAOYSA-N 434.945 3.723 0 40 IHAB O=C(Nc1ccccc1C(=O)NCc1ccccc1)c1ccc(CN2CCCC2=O)cc1 25667011 UPEWARQAHDIWHI-UHFFFAOYSA-N 427.504 3.991 0 40 IHAB CN(CCOc1ccc(Br)cc1)C(=O)CSc1nnc(-c2cccnc2)o1 27238343 SBQIFIIWDHYDTK-UHFFFAOYSA-N 449.330 3.524 0 40 IHAB COc1ccccc1NC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 27546976 JJUKQTIASWHTIG-QGZVFWFLSA-N 429.476 3.939 0 40 IHAB NC(=O)[C@H]1CC(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)=NN1c1ccccc1 30564709 BFMKBHBLSOTDDO-CYBMUJFWSA-N 431.930 3.584 0 40 IHAB Cc1c([C@@H](C)NC(=O)Cn2nnc3ccccc32)cnn1-c1cccc(C(F)(F)F)c1 32765257 RJMOFZNJZKYFOG-CYBMUJFWSA-N 428.418 3.822 0 40 IHAB c1ccc(-c2nnc3n2[C@@H](CSc2nnc(NC[C@@H]4CCCO4)s2)CS3)cc1 32906024 HQVAOOFSFXOUDZ-KGLIPLIRSA-N 432.600 3.827 0 40 IHAB C[C@H](NC(=O)CN(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc2c(c1)CCCC2 34797438 AWKDYEOKDJIXMV-ZWKOTPCHSA-N 428.598 3.839 0 40 IHAB COc1ccc(NC(=O)CSc2ncnc3nc(N4CCCCC4)sc23)c(OC)c1 35532774 FVENUXCXDBJVHF-UHFFFAOYSA-N 445.570 3.825 0 40 IHAB Cc1ccc(C2=NN(C(=O)CN3CCC(c4nc(C)no4)CC3)[C@H](c3ccco3)C2)cc1 40156393 BUSAATUOIXPLLJ-NRFANRHFSA-N 433.512 3.837 0 40 IHAB CN(C(=O)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1)C1CCCC1 44883307 NKGVOFSZFURXAG-UHFFFAOYSA-N 433.401 3.936 0 40 IHAB CCOc1ccc(Oc2ccc(S(=O)(=O)N[C@@H](C)C(=O)NC3CCCC3)cc2)cc1 48303420 SVACAHOKMBOFOK-INIZCTEOSA-N 432.542 3.603 0 40 IHAB CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CN1CCN(c2ccccc2C)CC1 57270857 XWPPSXQDWWGCLU-UHFFFAOYSA-N 439.585 3.667 0 40 IHAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N[C@H](C)c1ccccc1Br 58160758 QHMKXIMZJZEZJB-HZPDHXFCSA-N 432.362 3.860 0 40 IHAB C[C@H]1CCCN(c2nc3ncn(CC(=O)Nc4ccc(Cl)cc4F)c(=O)c3s2)C1 67226198 JPZVRPJCEBCSNF-NSHDSACASA-N 435.912 3.521 0 40 IHAB C[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccc2c(c1)OCCO2 69428889 AWFFUULJTVXOQF-MRXNPFEDSA-N 438.505 3.750 0 40 IHAB COc1cc(C)c(S(=O)(=O)N2CCC[C@H]2c2cncc(Nc3ccccn3)n2)cc1C 72376445 KBZVLRMLJZLHBU-SFHVURJKSA-N 439.541 3.766 0 40 IHAB Cc1ccc(-c2nnco2)cc1NC(=O)NC[C@H]1[C@@H](C)OC(C)(C)N1C(=O)OC(C)(C)C 79021190 UTTZZMSIMQBJJL-PBHICJAKSA-N 445.520 3.927 0 40 IHAB CCOc1ccc2oc(C(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)c(C)c2c1 89269809 VZZKTUBQEOUQOE-UHFFFAOYSA-N 442.537 3.595 0 40 IHAB CCSc1cc(C(=O)NCC(C)(C)N(C)C(=O)c2ccnc(SCC)c2)ccn1 89275293 HCTTWDUOSAKEGK-UHFFFAOYSA-N 432.615 3.981 0 40 IHAB COc1ccc(SCC2CCN(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)CC2)cc1 90608266 DWOUCSPMZQPKBI-UHFFFAOYSA-N 448.610 3.590 0 40 IHAB O=C(O)c1c[nH]c2cc(NS(=O)(=O)c3c(F)cc(F)cc3Br)ccc12 95957306 GYBSFALDKLHKSO-UHFFFAOYSA-N 431.214 3.708 0 40 IHAB CC(C)NC(=O)C[C@@H]1CC2(CCN(S(=O)(=O)c3ccccc3)CC2)Oc2ccccc21 96079974 QHNIOEWBCBNARL-LJQANCHMSA-N 442.581 3.691 0 40 IHAB O=S(=O)(NCCn1nc(-c2ccccn2)cc1C1CC1)c1ccccc1Br 96121750 YYXOHPANNOUODT-UHFFFAOYSA-N 447.358 3.564 0 40 IHAB CCS(=O)(=O)N1CCc2nc(NC(=O)Cc3ccc(SC(C)C)cc3)sc2C1 96334764 AQIJBKJOSVGCFZ-UHFFFAOYSA-N 439.628 3.533 0 40 IHAB O=C1[C@H]2CC(Cl)=CC[C@H]2C(=O)N1c1ccc(N2C(=O)[C@H]3CC(Cl)=CC[C@H]3C2=O)cc1 100564968 LLATXXZJLCJMCN-BDXSIMOUSA-N 445.302 3.731 0 40 IHAB CCCCCOc1cccc(C(=O)/N=c2\sc3cc(S(C)(=O)=O)ccc3n2C)c1 100859782 XOCKZJFNNHHFQJ-DQRAZIAOSA-N 432.567 3.953 0 40 IHAB O=C(N1CCc2ccccc21)C12C[C@@H]3C[C@@H](C1)CC(n1cnc(Br)n1)(C3)C2 101115040 RGMHFOMZFDJPBL-LDSOLPTJSA-N 427.346 3.925 0 40 IHAB CCCC/N=c1/sc(C(=O)Nc2ccc(C(=O)OCC)cc2)cc(=O)n1CCCC 102653488 UDENUVXCEBKKNJ-GHVJWSGMSA-N 431.558 3.840 0 40 IHAB COC(=O)[C@]12[C@@H]3[C@H]4[C@@H]5[C@H]1[C@@H]1CCC[C@@H]1[C@H]5[C@]1(COc5ccccc5)[C@H]4[C@@H]4[C@H]3CC[C@H]4[C@@]21O 104294538 SADGSCBNNOBNKL-IJRWZVHVSA-N 432.560 3.780 0 40 IHAB CCOc1ccccc1N(CCCC(=O)N[C@H]1CCCc2ccccc21)S(C)(=O)=O 113962495 OLEPGTWHHNWUFG-FQEVSTJZSA-N 430.570 3.825 0 40 IHAB Cc1ccc(NC(=O)C[C@@H]2C(=O)N(C3CC3)C(=S)N2CCc2ccc(F)cc2)cc1 215673085 TVPLGSJKPDWVKA-HXUWFJFHSA-N 425.529 3.666 0 40 IHAB COc1ccc([C@H](CC(C)C)NC(=O)[C@@H](C)N(c2cccc(F)c2)S(C)(=O)=O)cc1 220486812 OQBPMPDXKRKSLC-IERDGZPVSA-N 436.549 3.892 0 40 IHAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1F 222493213 SSUZXAJOLWOGTK-UWJYYQICSA-N 430.520 3.935 0 40 IHAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@H](CC)c1ccc(OC)c(C)c1 222654438 XMKXUWDLQJEBAV-NHCUHLMSSA-N 448.585 3.824 0 40 IHAB CCN(c1ccc(C(=O)NCCOc2ccccc2C(C)(C)C)cc1)S(=O)(=O)CC 223729182 JLFKJLRVDLYRKE-UHFFFAOYSA-N 432.586 3.969 0 40 IHAB C[C@@H]1CCCN(CCCNC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3F)c2)C1 224163713 VWFQOFUNEKONRT-GOSISDBHSA-N 447.576 3.503 0 40 IHAB CSc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(OC3CCCC3)cc2)cc1 224374827 DUBIEHLSJHFVBM-UHFFFAOYSA-N 434.583 3.989 0 40 IHAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(OC)cc1 224631007 NKODDBWUYIOQLQ-HSZRJFAPSA-N 426.557 3.962 0 40 IHAB CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc(OC)cc1 225010429 BELIJKNTFSKZGN-GOSISDBHSA-N 444.597 3.881 0 40 IHAB CCOc1ccccc1C=c1sc2nc(-c3ccccc3Br)nn2c1=O 254737289 MURLOQKHWZTJAZ-UHFFFAOYSA-N 428.311 3.527 0 40 IHAB Cc1cc(OC[C@]2(O)CCCN(CC(=O)NCc3ccc(F)cc3)C2)cc(C)c1Cl 257314822 UYPZHRHBIAEGCH-QHCPKHFHSA-N 434.939 3.618 0 40 IHAB CNC(=O)[C@]1(c2ccccn2)CCCN(CC(=O)N(c2ccccc2)c2ccccc2)C1 257339132 ZAHXGYIFIFSJMQ-AREMUKBSSA-N 428.536 3.526 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCSCc3ccccc3C)C2)cc1 260897688 KAABYYATRIZAJC-FQEVSTJZSA-N 446.638 3.754 0 40 IHAB COc1ccc(CN2CCO[C@@]3(CN(Cc4cccs4)C[C@@H]3c3cccnc3)C2=O)cc1 306141386 VUEBYPPTLUMWSP-ILBGXUMGSA-N 449.576 3.549 0 40 IHAB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NC2CCCCC2)cc1C 408532120 NIMVAUNKEWBOIA-UHFFFAOYSA-N 444.597 3.686 0 40 IHAB COc1ccc(S(=O)(=O)Nc2cccc(NC(C)=O)c2)cc1NC(=O)c1ccccc1 408582923 GAWMNFHVBLVGDM-UHFFFAOYSA-N 439.493 3.707 0 40 IHAB CC(C)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1 408610164 VDDFGFDYNZNGDL-IBGZPJMESA-N 444.597 3.622 0 40 IHAB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2ccccc2C(F)(F)F)cc1C 408646083 OISPTMALPJEFBO-UHFFFAOYSA-N 443.443 3.668 0 40 IHAB CC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)cc1 408648628 ZZWRJDYJTPTFRQ-AWEZNQCLSA-N 449.290 3.731 0 40 IHAB COC(=O)C1=CN(Cc2ccc(F)cc2)C=C(C(=O)OC)C1c1ccc(OC)c(OC)c1 816026 JOUOINQMQDWZPJ-UHFFFAOYSA-N 441.455 3.556 0 40 IHAB CCCNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 1595481 YEVDIGQCJDBRNM-SFHVURJKSA-N 426.513 3.685 0 40 IHAB biogenic Cc1cccc2cc([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CCC[C@H](C)C3)c(=O)[nH]c12 6443807 HXMYIZGYVFKGPW-HJPURHCSSA-N 446.530 3.832 0 40 IHAB COc1ccc([C@@H]2CC(c3ccc(OC)c(OC)c3)=NN2C(=O)CCCC(=O)O)cc1 7059313 JLUFCFSGZOZCCC-IBGZPJMESA-N 426.469 3.645 0 40 IHAB CCCC(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@H]1c1cc(OC)ccc1OC 8778949 ZCIOGJOAQJMVJD-FQEVSTJZSA-N 445.541 3.553 0 40 IHAB CCCOc1ccc(N2C(=O)C[C@@H](N3CCC(Oc4ccc(OC)cc4)CC3)C2=O)cc1 9189864 NKFABEUDURBCPP-HSZRJFAPSA-N 438.524 3.659 0 40 IHAB CCc1nnc2n1N[C@H](c1ccc(Cl)cc1)[C@@H](C(=O)Nc1ccc(OC)cc1)S2 9198009 MCOHGZINXYJGQD-MSOLQXFVSA-N 429.933 3.900 0 40 IHAB CCc1ccccc1N1C[C@@H](c2nnc(NC(=O)c3ccc(NC(C)=O)cc3)s2)CC1=O 9198094 VKIAGUAIWAFWLO-KRWDZBQOSA-N 449.536 3.832 0 40 IHAB C[C@@H](CCc1ccccc1)NC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 9227760 SZFNFVJBWLXCHZ-AWEZNQCLSA-N 429.369 3.897 0 40 IHAB CCOC(=O)C1=C(C)Oc2ncn3nc(-c4ccccn4)nc3c2[C@@H]1c1ccc(OC)cc1 9348150 KBLQDQZPOWBJLB-LJQANCHMSA-N 443.463 3.556 0 40 IHAB O=C(CSc1nc(-c2cccs2)n[nH]1)Nc1ccccc1C(=O)NC1CCCC1 9461310 MUURRBLNHFDKOQ-UHFFFAOYSA-N 427.555 3.936 0 40 IHAB C[C@H]1Oc2ccc(NC(=O)c3cn(-c4ccccc4)nc3-c3cccnc3)cc2NC1=O 9502069 CRIYQZWZNHFACX-OAHLLOKOSA-N 425.448 3.906 0 40 IHAB O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)N[C@H]1CCCc2ccccc21 9631794 OCNGXPKHZPJNGD-QHCPKHFHSA-N 439.515 3.676 0 40 IHAB CCOc1ccc([C@@H]2CCCN2C(=O)c2cc(Cl)c(OCC(N)=O)c(OC)c2)cc1 10101121 PWNKESRHWONSGW-SFHVURJKSA-N 432.904 3.589 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(N4CCCC4)cc3)CC2)cc1 10428725 KBQQFVQEYTULFZ-UHFFFAOYSA-N 427.570 3.635 0 40 IHAB COc1ccc(OC)c(-c2csc(NC(=O)COC(=O)c3ccc(Cl)nc3)n2)c1 10805233 BSNPJZHCQOYHLG-UHFFFAOYSA-N 433.873 3.671 0 40 IHAB COc1ccccc1Cn1c(=O)c2ccccc2n2c(S[C@H](C)c3nc(C)no3)nnc12 12522933 BUHOODREJCHPBR-CYBMUJFWSA-N 448.508 3.646 0 40 IHAB CCc1ccc([C@H](C)NC(=O)CN2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1 12821693 PUMUUNXSMKGNJA-SFHVURJKSA-N 436.552 3.792 0 40 IHAB O=C(CCc1nc(-c2ccsc2)no1)Nc1ccc(I)cc1 12871683 LAFMSHCNCYPCKE-UHFFFAOYSA-N 425.251 3.974 0 40 IHAB Cc1ccc(Nc2nc(CN3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)cs2)cc1 13137586 YNKXZVHEBRYJIE-UHFFFAOYSA-N 446.573 3.841 0 40 IHAB COc1ccc(-c2nc(CC(=O)N3CCN(Cc4ccccc4)CC3)cs2)cc1OC 13689939 QIWKJPMJJNNALH-UHFFFAOYSA-N 437.565 3.714 0 40 IHAB COc1ccc(-c2cc3ccc(OCC(=O)Nc4cccnc4)cc3oc2=O)cc1OC 13691678 GEXINKWDGJXDMD-UHFFFAOYSA-N 432.432 3.890 0 40 IHAB COc1ccc(NC(=O)Cc2ccc3c(c2)CCCC3)cc1S(=O)(=O)N1CCCCC1 14142283 WAJOBOMZGFCSIG-UHFFFAOYSA-N 442.581 3.930 0 40 IHAB Cc1ccc2c(c1)c1c3n2CCN(S(=O)(=O)c2ccc4sc(=O)[nH]c4c2)[C@H]3CCC1 15083490 ZTLPUYUNDYXFCS-IBGZPJMESA-N 439.562 3.935 0 40 IHAB Cc1ccc(-n2nnnc2-c2cnc(N3CCOCC3)nc2-c2cccc(Cl)c2)cc1 16311589 YNODFFZAXXNLMY-UHFFFAOYSA-N 433.903 3.585 0 40 IHAB Cc1cc2c(cc1Cl)[C@@H](O)CC1(CCN(C[C@@H](O)c3ccc4c(c3)CCO4)CC1)O2 19125694 HZEGJYYETSDJEB-LEWJYISDSA-N 429.944 3.967 0 40 IHAB O=C(Cc1ccccc1F)N[C@@H](Cc1cc(=O)[nH]c(-c2cccnc2)n1)c1ccccc1 19369439 OQWNOSWVJIQCPO-QFIPXVFZSA-N 428.467 3.614 0 40 IHAB CC(C)c1ncc(-c2ccccn2)c(-c2ccc(CNC(=O)[C@H](C)N3CCOCC3)cc2)n1 19453901 OVFIQVHKQMVDMY-IBGZPJMESA-N 445.567 3.666 0 40 IHAB CCOc1ncccc1C(=O)NCc1ccc(-c2ccnc3nc(C(F)(F)F)nn23)cc1 19531570 WYGVOLZPTCXGFZ-UHFFFAOYSA-N 442.401 3.534 0 40 IHAB Cc1cc(C(=O)N2CCC[C@H](c3cc(C(F)(F)F)c4c(C)noc4n3)C2)c(=O)[nH]c1C 19566750 GONGFQPYQIDCEW-ZDUSSCGKSA-N 434.418 3.875 0 40 IHAB Cc1n[nH]c(C)c1CC(=O)N1CC[C@H](c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C(C)C)N3)C1 19578662 ROWOWYCSEVDVBU-QILLFSRXSA-N 438.498 3.725 0 40 IHAB CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN(C(=O)CN3CCCC3)C2)n1 19694001 JFNWOFGTPYAHOY-GOSISDBHSA-N 427.980 3.665 0 40 IHAB Clc1ccc([C@@H]2N=C3NCN(Cc4ccccn4)CN3c3nc4ccccc4n32)cc1 20101304 HZTSHGGFLXVTNJ-OAQYLSRUSA-N 429.915 3.828 0 40 IHAB Cc1ccccc1N(CC(=O)NCCc1ccccc1)C(=O)c1ccc(N2CCCC2)nc1 20143215 BZGQDTCRWYZFSL-UHFFFAOYSA-N 442.563 3.996 0 40 IHAB Cc1ccccc1[C@H](NC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O)c1ccccc1 20452857 BSXBJRAUZMIQRD-HSZRJFAPSA-N 444.503 3.945 0 40 IHAB COc1ccc([C@H]2N=C3NCN(C4CCCCC4)CN3c3nc4ccccc4n32)cc1OC 20638593 DHOYXNUQKCLSHS-QHCPKHFHSA-N 446.555 3.929 0 40 IHAB COCc1nc2nc(SCc3ccccc3)nn2c(N)c1-c1ccc(OC)c(OC)c1 20676179 JSZOJGBGNJUPBM-UHFFFAOYSA-N 437.525 3.829 0 40 IHAB COC(=O)Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(CCc1ccccc1OC)C3 20760565 LCCXWIAKQFFYMR-UHFFFAOYSA-N 437.492 3.529 0 40 IHAB biogenic COc1ccccc1CN(C)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 22427840 MJUCYRFCAKSDTP-UHFFFAOYSA-N 438.549 3.858 0 40 IHAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CSCc3ccccc3C)cc2)n1 22526800 VRNLPDAXPCMSEG-UHFFFAOYSA-N 442.566 3.766 0 40 IHAB COc1ccc([C@@H](CNC(=O)c2csc(-c3ccsc3)n2)N2CCOCC2)cc1 23935325 DDGHIAXNNVWOQU-LJQANCHMSA-N 429.567 3.684 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3Nc3ccccc3)CC2)s1 25777865 HSKNYVZKLBZKBO-UHFFFAOYSA-N 441.578 3.947 0 40 IHAB C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)Nc1ccc(OC(F)F)cc1 29755312 NUMXNJRKQRWHRL-QFIPXVFZSA-N 429.423 3.616 0 40 IHAB Cc1ccc(NC(=O)Cn2c(=O)c3ccccc3n3nc(C)cc23)c(Br)c1 32836389 BGBFZLCZPDKOEN-UHFFFAOYSA-N 425.286 3.667 0 40 IHAB Cc1nnc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccc2Cl)s1 32994304 MUUDEIZQWXGODL-SFHVURJKSA-N 439.928 3.961 0 40 IHAB COc1cccc(NC(=O)COc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)c1 33826620 DXRNRXDGUZNWPR-UHFFFAOYSA-N 440.521 3.533 0 40 IHAB CN1CCC2(CC1)N=C(SCC(=O)Nc1ccc(F)cc1F)C(c1ccccc1)=N2 35372739 JBTFABXMSQSNJN-UHFFFAOYSA-N 428.508 3.960 0 40 IHAB Cc1nn(CCNC(=O)c2cc(-c3cccs3)nc3c2c(C)nn3C)c(C)c1Cl 36616015 YEVXYKRWPAVMCX-UHFFFAOYSA-N 428.949 3.902 0 40 IHAB Cn1cc(C(=O)NC[C@H](c2c(F)cccc2Cl)N2CCCC2)c(-c2cccnc2)n1 48311063 LINMHYVWBHHYFD-LJQANCHMSA-N 427.911 3.842 0 40 IHAB COc1ccc([C@H](NC(=O)CSc2ccc(C(=O)N3CCCC3)cn2)C(C)C)cc1 48313013 IQYKISCQHONAIG-JOCHJYFZSA-N 427.570 3.932 0 40 IHAB CS(=O)(=O)N(Cc1ccc(Cl)cc1)Cc1ncc(C(=O)O)c(Nc2ccccc2)n1 49469735 UKUITYMHZPQUEY-UHFFFAOYSA-N 446.916 3.534 0 40 IHAB O=c1c(Cl)c(N2CCN(Cc3ccc4ccccc4n3)CC2)cnn1-c1ccccc1 57286259 FWZBJZCUPCZNKS-UHFFFAOYSA-N 431.927 3.756 0 40 IHAB O=C(NC(=S)Nc1c(F)cc(F)cc1Br)c1ccc2nsnc2c1 57313569 YNZYOYAZCNKCOH-UHFFFAOYSA-N 429.271 3.859 0 40 IHAB CCc1ccccc1NC(=O)Cn1c(=O)n(CCc2cccs2)c(=O)c2ccccc21 57473229 JFXNJTHMIURUBP-UHFFFAOYSA-N 433.533 3.669 0 40 IHAB C[C@H]1CO[C@H](C)CN1C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1 58703179 YNIRCSWYXWRPTD-QWHCGFSZSA-N 426.897 3.529 0 40 IHAB CCOc1cc(CN(C)CN2C(=O)NC3(CCC(C)CC3)C2=O)ccc1OC(F)F 58745413 JQYHWDSNNBDOTM-UHFFFAOYSA-N 425.476 3.577 0 40 IHAB Cc1cccc(-c2cccc(C[C@@]3(C(=O)NC(C)C)CCCN(C(=O)c4nc[nH]n4)C3)c2)c1 72391529 YWXDEXSCOQBWPT-SANMLTNESA-N 445.567 3.770 0 40 IHAB O=C(N[C@@H](CO)c1ccccc1)C1(Cc2cc(-c3ccc(F)cc3F)no2)CCOCC1 72394561 ZJNVJKIBDNFKCH-QFIPXVFZSA-N 442.462 3.809 0 40 IHAB CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(Cl)c2c(c1)OCCCO2 95385738 HGUQKYOPQOGHKO-UHFFFAOYSA-N 427.888 3.789 0 40 IHAB CC(=O)N(c1ccccc1)c1nc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)cs1 96663490 QXUQPONPOBWLCZ-NTEUORMPSA-N 433.536 3.504 0 40 IHAB COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]32)cc1 102695220 OHNHTPFJJGKPLR-XYJFISCASA-N 438.530 3.549 0 40 IHAB COc1ccc([C@H](CC(C)C)NC(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)cc1 219446572 ZJORCFOXJGHYBP-FQEVSTJZSA-N 444.553 3.524 0 40 IHAB COc1ccc([C@H](C)NC(=O)[C@H](C)N(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 220203246 XFVDXMSXTHMIKZ-KBPBESRZSA-N 444.475 3.746 0 40 IHAB Cc1cc(C)cc(N([C@@H](C)C(=O)NCCOc2ccccc2C(C)(C)C)S(C)(=O)=O)c1 223687719 ZZKPAPBDCRPVOP-IBGZPJMESA-N 446.613 3.951 0 40 IHAB COc1ccc(S(=O)(=O)NCc2cccc(N3CCCC3=O)c2)c(Cl)c1Cl 223695309 SKTSJIKOMNNWQS-UHFFFAOYSA-N 429.325 3.607 0 40 IHAB COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1Cl 223768279 KDSKAXXOXVISGO-UHFFFAOYSA-N 428.297 3.873 0 40 IHAB CCC1(CC)C[C@@H](NC(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)c2ccccc2O1 223976354 VFHVQMNIKLHKGF-HXUWFJFHSA-N 446.569 3.660 0 40 IHAB CC[C@@H](C(=O)NCCOc1ccc(Cl)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 224306317 CTNJWUDGXNFAMK-SFHVURJKSA-N 445.368 3.733 0 40 IHAB O=C(NCCOc1ccccc1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 224398164 NSCICLWWWHJXBZ-UHFFFAOYSA-N 430.913 3.950 0 40 IHAB CCCC[C@@H](CC)CNC(=O)C1=C(C)c2cc(OC)c(OC)cc2N(CC)S1(=O)=O 224582391 UWEAEYILHSSNFR-MRXNPFEDSA-N 438.590 3.937 0 40 IHAB C[C@H](CNS(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1)c1ccccc1 225138641 GEGUTAMCNVWPLJ-GFCCVEGCSA-N 436.946 3.526 0 40 IHAB CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccc(C)c(C)c1 225487523 IXQMMKKWXOBMGT-INIZCTEOSA-N 433.346 3.608 0 40 IHAB Cc1ncsc1C(=O)N1CC[C@H](c2nc(C)c3c(n2)N(CC2CCCCC2)C(=O)C3)C1 257222384 DTBVCAPNGOFSNK-KRWDZBQOSA-N 439.585 3.649 0 40 IHAB COc1cccc(-c2nccc([C@@H]3CCCN3C(=O)c3ccnc(-c4cnn(C)c4)c3)n2)c1 257286366 PLHSAHBEXAVIFS-QHCPKHFHSA-N 440.507 3.925 0 40 IHAB CCN(CC)C(=O)Cc1c(C)nc([C@@H]2CCCN(C(=O)c3cccc(OC)c3)C2)nc1C 257316165 VEKNOLMQGOUFPR-HXUWFJFHSA-N 438.572 3.533 0 40 IHAB COc1ccc([C@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1 260770824 UJHWOHSZCSGWJZ-JTSKRJEESA-N 448.585 3.762 0 40 IHAB CC(=O)Nc1cccc(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(F)cc2)c1 408611738 RBMZSWYNTAIGNZ-UHFFFAOYSA-N 447.532 3.746 0 40 IHAB CCOc1ccc(C(=O)Nc2ccccc2Br)cc1S(=O)(=O)NC(C)C 408700393 FJOPEHGTTMQODJ-UHFFFAOYSA-N 441.347 3.787 0 40 IHAB COc1ccc(OC)c(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)c1 409150200 AJDUVFOBKYZMFN-WOJGMQOQSA-N 426.494 3.996 0 40 IHAB CCOc1ccc2ccccc2c1C(=O)Nc1cc2c(cc1F)N(C)S(=O)(=O)N2C 575611374 FHIIEZXHTDOEKM-UHFFFAOYSA-N 429.473 3.761 0 40 IHAB C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)C(=O)NCC2 644605367 IAXSLRGFVZHSOM-MAODMQOUSA-N 431.536 3.695 0 40 IHAB C=CC(=O)Nc1ccc(O)c(C(=O)N2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)c1 1542490289 JXFHOJVDRPFLAL-UHFFFAOYSA-N 442.903 3.550 0 40 IHAB COc1cccc(-c2nc3c4ccccc4n(CC(=O)Nc4cccc(C)c4)c(=O)n3n2)c1 1889201625 HSQLORBWNZHTSF-UHFFFAOYSA-N 439.475 3.667 0 40 IHAB CC1=C(C(N)=O)[C@H](c2ccccc2F)N2NC(SCc3ccccc3Cl)=NC2=N1 958563 BOXFODMSQFUZEG-KRWDZBQOSA-N 429.908 3.759 0 40 IHAB O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)Nc1ccc(N2CCCCCC2)cc1 1330636 XXMUSUYKCALMEO-UHFFFAOYSA-N 442.523 3.601 0 40 IHAB O=C(NC1CC1)c1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1 1383909 ODSHDWNGNGISJL-MQSUGXTHSA-N 434.495 3.975 0 40 IHAB Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Oc2cc3oc(=O)c(C)c(C)c3cc2Cl)cc1 2094471 DQDJIXJABXRLRL-AWEZNQCLSA-N 449.912 3.644 0 40 IHAB biogenic O=C(Nc1ccc(N2CCCCC2)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1 2663520 PCWVNVSHWDSGAD-UHFFFAOYSA-N 433.599 3.778 0 40 IHAB COc1ccc(OC)c(-n2c(=S)[nH]c3cc(C(=O)NCc4ccco4)ccc3c2=O)c1 3631303 YUVDFRHZWRILCZ-UHFFFAOYSA-N 437.477 3.588 0 40 IHAB C[C@H](Cc1nnc(SCC(=O)NC23CC4CC(CC(C4)C2)C3)n1N)c1ccccc1 6865274 RWJLKCMGCFYFTG-LRYXAPPNSA-N 425.602 3.515 0 40 IHAB Cc1ccc2nc(CSCC(=O)N[C@H](C)C34CC5CC(CC(C5)C3)C4)cc(=O)n2c1 7145425 WNBOYWNYUIHEFB-NXTQRVMMSA-N 425.598 3.957 0 40 IHAB COc1cc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCCOC(C)C)ccc1O 8022548 NRCIMEYKTHFDFA-OAQYLSRUSA-N 425.481 3.794 0 40 IHAB COc1cc(C)c(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1OC 8703873 OBJRQJUFYGJIEG-UHFFFAOYSA-N 432.542 3.748 0 40 IHAB Cc1cccc(NC(=O)[C@@H](C)OC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)c1 8889508 AKBNZNSUFSEMGN-CQSZACIVSA-N 439.537 3.675 0 40 IHAB O=C(COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)Nc1ccc(F)cc1F 9055706 GFJGIQVYBXTICE-UHFFFAOYSA-N 436.370 3.561 0 40 IHAB CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(OC(F)F)cc2)sc(C)c1C 9129262 FJEJGTRWVCEKLJ-UHFFFAOYSA-N 427.425 3.939 0 40 IHAB CC1=C(C(=O)N2CCOCC2)[C@@H](c2cccs2)NC(=S)N1c1ccc(Cl)cc1 9130946 KLTRKEAVVJSHMQ-GOSISDBHSA-N 433.986 3.970 0 40 IHAB Cc1nc2cc(C(=O)OCC(=O)NC(=O)NC3CCCCC3)ccc2n1-c1ccccc1 9156624 DEHLGQWDLWSRGL-UHFFFAOYSA-N 434.496 3.649 0 40 IHAB C[C@@H](OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C(=O)c1ccc(Cl)cc1 9169970 XCRYEYXMFZSQOZ-LLVKDONJSA-N 430.309 3.672 0 40 IHAB CC(=O)NCc1ccc(-c2csc(NC(=O)[C@@]3(C)Cc4ccccc4C(=O)O3)n2)cc1 9364618 PETADIMTWXQOTD-HSZRJFAPSA-N 435.505 3.557 0 40 IHAB COc1ccc(Cl)cc1NC(=O)[C@H](C)N1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O 9478426 QOCBXDQDYBSXRK-ZAMGYDSWSA-N 441.915 3.632 0 40 IHAB CSc1nnc(CCCNC(=O)c2cc(=O)c3cc(C)ccc3o2)n1C1CCCC1 9533050 WXGCBVADRPLJTC-UHFFFAOYSA-N 426.542 3.893 0 40 IHAB CC(=O)Nc1cc(-c2csc(C)n2)ccc1OCC(=O)Nc1ccc2c(c1)OCO2 9595464 SWZAVOYTPHJWSA-UHFFFAOYSA-N 425.466 3.823 0 40 IHAB COc1ccc(Cn2c(=O)c3ncccc3n(Cc3cccc(C(F)(F)F)c3)c2=O)cc1 9660608 BGPPIKODIUCVIT-UHFFFAOYSA-N 441.409 3.682 0 40 IHAB O=c1c2ccccc2nc(SCc2nc(-c3ccc(Cl)cc3)no2)n1CCCO 9792667 VUJKIISNLWIOJA-UHFFFAOYSA-N 428.901 3.775 0 40 IHAB CCCc1cc(C(=O)OC)c(N2C(=O)C[C@@H](Sc3ccccc3C(=O)O)C2=O)s1 9870452 HDOOPWYBCNJGON-OAHLLOKOSA-N 433.507 3.610 0 40 IHAB CCOc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2C)cc1 10448938 NLWAMHKHWJJZSL-UHFFFAOYSA-N 430.570 3.744 0 40 IHAB O=C(Cn1c(-c2cccs2)n[nH]c1=S)NCc1ccc(C(=O)N2CCCCC2)cc1 10460812 VKUBFGWRPOJYHA-UHFFFAOYSA-N 441.582 3.612 0 40 IHAB Cc1nn(C)c(C)c1C(=O)OCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 10952298 KBHNIBFVWLRSPY-SFHVURJKSA-N 440.887 3.818 0 40 IHAB CC(C)n1c(=O)oc2cc(S(=O)(=O)N[C@@H](Cc3ccsc3)c3ccccn3)ccc21 12229345 GWJIFBGMDPHRGE-SFHVURJKSA-N 443.550 3.894 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1Cn1c(=S)oc2ccccc21 12522774 XNHCRERRAGUUTF-OAQYLSRUSA-N 433.537 3.897 0 40 IHAB CCOc1ccc(C(=O)Nc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)cc1OC 12605655 KDCSRJGRUFPQKE-UHFFFAOYSA-N 447.538 3.841 0 40 IHAB CC(=O)c1cc2c(cc1NC(=O)CNc1ccccc1C(=O)Nc1ccccc1)OCO2 12640559 JYJXKWBUZZJVRM-UHFFFAOYSA-N 431.448 3.921 0 40 IHAB COc1ccc(C)cc1-n1c(=O)c2ccccc2n2c(S[C@@H](C)c3nc(C)no3)nnc12 12646057 MMXHUVGFSOFVFR-ZDUSSCGKSA-N 448.508 3.895 0 40 IHAB COC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@H]1c1ccccc1Cl 12741266 HBRVSSBHABJUHP-IBGZPJMESA-N 430.913 3.994 0 40 IHAB Cc1ccc(-n2c(S[C@@H](C(=O)NC(N)=O)C(C)C)nc3cc(Cl)ccc3c2=O)cc1 12760447 CFBICUSRGMFJFO-QGZVFWFLSA-N 444.944 3.659 0 40 IHAB O=C(CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)N1CCC[C@H]2CCCC[C@@H]21 12873171 OLJWKCAANJOORF-LQWHRVPQSA-N 441.597 3.849 0 40 IHAB COc1ccc(Cl)cc1NC(=O)CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1 12927948 HUYLGXPIWKSFGZ-UHFFFAOYSA-N 442.869 3.913 0 40 IHAB C[C@@H](Sc1nnc(NCc2ccccc2)s1)C(=O)c1ccc2c(c1)NC(=O)CO2 13002111 MZIFORGIVYCMKA-GFCCVEGCSA-N 426.523 3.845 0 40 IHAB C[C@H](Sc1nnc(-c2cccs2)n1N)c1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3 13101245 LRLQYAFLSVFQIY-ZJUUUORDSA-N 444.611 3.997 0 40 IHAB COc1ccc([C@@H]2CC(=O)Nc3nc(SCc4cccc(F)c4)[nH]c(=O)c32)cc1OC 13567375 BZKFYYGZBPMWFA-HNNXBMFYSA-N 441.484 3.693 0 40 IHAB COc1cc([C@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C3=C2C(=O)OC3)cc(OC)c1OC 13567540 ZECZCHPPTDGVRU-CYBMUJFWSA-N 447.846 3.836 0 40 IHAB COC(=O)c1c(NC(=O)[C@@H](C)Sc2ncnc3nc[nH]c23)sc2c1CCCCC2 13572722 SCEKWGDRCLLZDZ-SNVBAGLBSA-N 431.543 3.589 0 40 IHAB COc1ccccc1CN1C(SCc2ccc(Cl)cc2)=N[C@H]2CS(=O)(=O)C[C@H]21 13692804 RNQZCBGGSRTSPC-ZWKOTPCHSA-N 436.986 3.619 0 40 IHAB CC[C@@H](C(=O)Nc1ccccc1Br)N(c1ccc(C)cc1)S(C)(=O)=O 13713159 RDOLIBRKGYQYCQ-KRWDZBQOSA-N 425.348 3.941 0 40 IHAB CC[C@H](C(=O)Nc1cccc(C(=O)OC)c1C)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714713 WECNOWWRIVOOPU-GOSISDBHSA-N 438.933 3.618 0 40 IHAB CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@H](CO)c1ccccc1 13726771 DFNGYJFFBFOERS-NOZRDPDXSA-N 430.548 3.809 0 40 IHAB Cc1ccc(-n2nc(C)c3c2NC(=O)[C@@H](C)S[C@@H]3c2ccc(OCC(N)=O)cc2)cc1 13995331 SFKAYYBHHWYTNG-QVKFZJNVSA-N 436.537 3.516 0 40 IHAB COc1ccc(OC)c(NC(=O)[C@@H]2C[C@H]3CCCN3[C@@]23C(=O)Nc2c(Cl)cccc23)c1 15972113 FDSIIYLSNZHBJC-PPWXJAPKSA-N 441.915 3.628 0 40 IHAB CC1=NN(C(=O)c2ccn(COc3cccc(Cl)c3Cl)n2)[C@@](O)(C(F)(F)F)C1 17101047 OMTONJUTHRXOOE-HNNXBMFYSA-N 437.205 3.699 0 40 IHAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(N2CCCC2=O)cc1 18094863 PZUJPGFSMUAXKI-UHFFFAOYSA-N 433.430 3.933 0 40 IHAB COc1cc(CN2CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)cc2c1OCO2 19081837 ZSDHGEOVOSZXSC-PGRDOPGGSA-N 439.556 3.935 0 40 IHAB Cc1ccc(CC(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)CN(C2CCC(C)CC2)CC3)cc1 19209595 DUMZLSQGVWZUHX-HQOBLLPJSA-N 448.611 3.921 0 40 IHAB Cc1cccc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CN(C(=O)C2CCCC2)CC3)c1 19234421 WBAIFWFHJNJXTC-QFIPXVFZSA-N 448.567 3.521 0 40 IHAB Cn1nc(C(F)(F)F)cc1C(=O)N[C@H](Cc1cc(=O)[nH]c(C2CCC2)n1)c1ccccc1 19288793 KEXKBUBXCVABCQ-MRXNPFEDSA-N 445.445 3.504 0 40 IHAB O=C(c1ccc(F)c(F)c1)N1CCC[C@@H](c2n[nH]cc2-c2ccnc(N3CCCC3)n2)C1 19292793 BHUXTOMYXGXOJD-MRXNPFEDSA-N 438.482 3.765 0 40 IHAB CC[C@H](C(=O)N1CCC(O)(Cn2cnc3sc(C)c(C)c3c2=O)CC1)c1ccccc1 19500528 OLOJCRAOOVWFIN-IBGZPJMESA-N 439.581 3.622 0 40 IHAB CCN1CCN(C(=O)c2cncc(O)c2)C[C@@H](Cc2ccccc2-c2ccc(C)cc2)C1=O 19527612 ZPTIIHBBTUDBIY-HSZRJFAPSA-N 443.547 3.926 0 40 IHAB COc1ccccc1O[C@H](C)C(=O)N[C@@H](C)c1nc2cc(-c3ccc(F)cc3)ncn2n1 19574292 NCBICIJVIVOHEQ-LSDHHAIUSA-N 435.459 3.584 0 40 IHAB CCc1nn(C)c(C(=O)N2CCC[C@H](c3ncc(C(=O)Nc4ccccc4)c(C)n3)C2)c1C 19765320 OOAAPJQKNSAROZ-SFHVURJKSA-N 446.555 3.661 0 40 IHAB CCOC(=O)[C@@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@H]1c1ccc(Cl)cc1 19818325 PKJJSRDTLWBESI-PMACEKPBSA-N 441.915 3.842 0 40 IHAB O=C(N[C@]1(C(F)(F)F)N=C(c2ccccc2)N(Cc2ccco2)C1=O)c1ccccc1F 19939487 MLLIWGCWOZFWIH-OAQYLSRUSA-N 445.372 3.896 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCc3ccccc3-n3ccnc3)c2)cc1 20452763 RSBMNKKWANAHMW-UHFFFAOYSA-N 446.532 3.912 0 40 IHAB O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl)N1CCCCC1 22246370 PTEVMBHQVQVUKY-GOSISDBHSA-N 441.380 3.896 0 40 IHAB Cc1ccc(OC[C@H](C)NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1 22334952 TZVQUHSYUXPGHX-AWEZNQCLSA-N 445.368 3.652 0 40 IHAB Cc1ccc(OC[C@@H](C)NC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1 22374380 LMPYYQXFNYPURY-GOSISDBHSA-N 432.586 3.642 0 40 IHAB C[C@H](NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F)c1ccc(F)cc1 22621467 QIWVAKXXLGRKRW-HRAATJIYSA-N 444.503 3.732 0 40 IHAB CCOc1ccc(-c2noc([C@@H]3CCCN(S(=O)(=O)c4cccs4)C3)n2)cc1OC 23125790 KQBRIEACJDIEAQ-OAHLLOKOSA-N 449.554 3.774 0 40 IHAB Cc1nc(S[C@H](C)c2ccccc2)[nH]c(=O)c1CC(=O)NCc1ccc2c(c1)OCO2 23138670 XDMGKNLEHNFDCK-OAHLLOKOSA-N 437.521 3.519 0 40 IHAB COc1ccc([C@H](CNC(=O)c2ccc(COc3ccccc3)o2)N2CCOCC2)cc1 23873369 XBQZHYXYPYQPGO-QHCPKHFHSA-N 436.508 3.671 0 40 IHAB COc1ccc([C@H](CNC(=O)c2ccc(C(=O)c3ccccc3)cc2)N2CCOCC2)cc1 23908039 CZMMLERPUYBSIQ-VWLOTQADSA-N 444.531 3.730 0 40 IHAB CCOc1ccc(CN2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)cc1 24712637 AAIJYPYWZIQONE-UHFFFAOYSA-N 428.476 3.611 0 40 IHAB CCCCCn1c(CCC(=O)N[C@H]2CCCC[C@@H]2C)nc2c1c(=O)[nH]c(=O)n2CCCC 26978679 UTEGXHZKUTWGQM-ROUUACIJSA-N 445.608 3.504 0 40 IHAB O=C(OCc1cc(-c2ccccc2)no1)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 29887077 KQCHXQXLYYVLND-UHFFFAOYSA-N 432.885 3.793 0 40 IHAB O=C(CN1CCCN(c2ncnc3cc(-c4ccc(F)cc4)sc23)CC1)N1CCCC1 32829615 AEXBZQYPWVRJOG-UHFFFAOYSA-N 439.560 3.632 0 40 IHAB O=C(CCn1cnc2ccc(Br)cc2c1=O)NCCCSc1ccccc1 32895847 CQIOLELXQWKUGK-UHFFFAOYSA-N 446.370 3.848 0 40 IHAB CCn1c(COc2ccccc2OC)nnc1SCC(=O)N[C@@H](C)c1ccccc1 33900475 UNZWYCCOYXXYFL-INIZCTEOSA-N 426.542 3.855 0 40 IHAB CC(C)C(=O)Nc1ccc2c(c1)nc(-c1c(O)c(C(=O)N3CCCCCC3)cn1C)n2C 36369904 WWLYZVWEMMFHEH-UHFFFAOYSA-N 437.544 3.895 0 40 IHAB biogenic Cc1cc(NC(=O)CN(C)C(=O)c2cnn(-c3ccc(C)c(Cl)c3)c2C2CC2)no1 40073925 LQQCSOIXAWWWQV-UHFFFAOYSA-N 427.892 3.719 0 40 IHAB COc1ccc(S(=O)(=O)NCc2ccc(OC(C)C)cc2)cc1C(=O)N1CCCCC1 44880020 AWLVMPWRFBSRCU-UHFFFAOYSA-N 446.569 3.587 0 40 IHAB COC(=O)c1ccc2c(=O)n(-c3cc(OC)cc(OC)c3)c(N3CCCCCC3)nc2c1 49006462 CTCKXCHHDYQKPH-UHFFFAOYSA-N 437.496 3.570 0 40 IHAB CCN(C(=O)CSc1nc2[nH]ncc2c(=O)n1-c1ccc(F)c(F)c1)c1ccccc1 51316763 UBIUDFJKQLZIJF-UHFFFAOYSA-N 441.463 3.532 0 40 IHAB CN(C(=O)Cn1c(=O)n(-c2cccc(Cl)c2)c(=O)c2sccc21)c1ccccc1 57491498 XPCFNHIEJUDABJ-UHFFFAOYSA-N 425.897 3.530 0 40 IHAB CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1ccc2c(c1)OCCCO2 64986900 GSLMQVZZDYJCTB-UHFFFAOYSA-N 440.525 3.866 0 40 IHAB COc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)NC[C@H]2CCCO2)cc1Cl 67298830 IBWDQKOAMJQWIS-WGJYXZIMSA-N 428.872 3.942 0 40 IHAB CC(C)NC(=O)c1cc([C@H]2CN(C(=O)CCc3ccccc3)CCO2)nc2ccccc12 72352685 HKRSFAHVRHYRPM-XMMPIXPASA-N 431.536 3.906 0 40 IHAB Cc1cc(Cc2cccc(Cl)c2)cc([C@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)n1 72354257 ABLOXPDTUSGBNE-IBGZPJMESA-N 444.988 3.936 0 40 IHAB CC(C)OCC(=O)N1CCCC[C@H]1Cc1c(C(=O)N2CCOCC2)sc2ccccc12 72370516 APSIXDAKWRRZQI-SFHVURJKSA-N 444.597 3.722 0 40 IHAB CCN(CC)C(=O)CN1CCCC[C@@H]1c1nc(C)c2c(n1)N(Cc1ccccc1)C(=O)CC2 72371093 LMPRTNANMWKIDW-JOCHJYFZSA-N 449.599 3.660 0 40 IHAB COc1ccccc1CC(=O)N1CCCC[C@H]2CN(Cc3c(C)nc4sccn34)C[C@H]21 72398830 SMJZFOMAMJFVLK-PZJWPPBQSA-N 438.597 3.768 0 40 IHAB CCOC(=O)c1cc(C)cc(Br)c1NS(=O)(=O)c1cn([C@@H](C)CC)cn1 95965991 OMBNFLHEIOSMTN-LBPRGKRZSA-N 444.351 3.903 0 40 IHAB CC(C)n1c(SCCNC(=O)c2cccnc2Oc2ccccc2)nnc1N(C)C 95971876 FCAUMOVCCLQCBD-UHFFFAOYSA-N 426.546 3.634 0 40 IHAB O=C(c1ccc(C(F)(F)F)cc1)N1CCC2(CC1)COCCN(Cc1cccnc1)C2 96239897 USKKVZIIMAOYEO-UHFFFAOYSA-N 433.474 3.855 0 40 IHAB CC(C)CCN1[C@@]2(CCN(C(=O)NCc3ccccc3)C2)c2ccccc2S1(=O)=O 96262000 UQKGLWKPSPLRGL-HSZRJFAPSA-N 427.570 3.548 0 40 IHAB COC(=O)[C@@](CC1=CC[C@H]2C[C@H]1C2(C)C)(NS(=O)(=O)c1ccccc1)C(F)(F)F 100121807 KRNSZNGJVDXPDI-ZSZQSSIHSA-N 431.476 3.822 0 40 IHAB CCOCCn1/c(=N/C(=O)c2ccc(S(C)(=O)=O)cc2)sc2cc(Cl)ccc21 101042140 QRZUBVVLWPVAKY-VZCXRCSSSA-N 438.958 3.537 0 40 IHAB Cc1ccc(N2C(=O)NC(=O)/C(=C(\NCc3ccccc3)Nc3ccccc3)C2=O)cc1 101382586 FXHUBXMQBYPJFC-DQRAZIAOSA-N 426.476 3.691 0 40 IHAB O=C(Nc1ccc2ncccc2c1)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 101420987 CDSKVFQQEZQMHN-GGEUNONFSA-N 437.499 3.592 0 40 IHAB Cc1ccc(Cl)c(NC(=O)C(=O)[C@H](C(=O)c2ccncc2)[C@H]2OC(=O)c3ccccc32)c1 102977270 UJIZTXYLKSOPLS-UGKGYDQZSA-N 448.862 3.962 0 40 IHAB O=C(O)c1ccccc1-c1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)o1 106756284 HGHDIYLDZZNICY-PDGQHHTCSA-N 440.477 3.694 0 40 IHAB CN1CCN(Cc2ccccc2)C[C@H]1c1nnc2ccc(C(=O)Nc3cccc(F)c3)cn12 107281460 CCKRMJDBDFPBBH-QFIPXVFZSA-N 444.514 3.609 0 40 IHAB CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1[C@H](C)NC(=O)c1ccccc1F 109042415 MVOVFKSZYXRMNO-HNNXBMFYSA-N 441.532 3.967 0 40 IHAB Nn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 109212319 OBLJJVLZEPPTIW-UHFFFAOYSA-N 441.866 3.986 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccccc3F)CC2)cc1C 222577698 PZPCHRVVFIOKMK-UHFFFAOYSA-N 448.560 3.592 0 40 IHAB CC(=O)N1CCc2cc(S(=O)(=O)Nc3nnc(SCc4ccccc4)s3)ccc21 222830092 DSLPUUAAFOCWFQ-UHFFFAOYSA-N 446.579 3.540 0 40 IHAB OCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(C(F)(F)F)c1 223586375 OQURBSSLIKLRQJ-RTBURBONSA-N 432.471 3.856 0 40 IHAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCOc1ccccc1C(C)C 223832471 AILPRXSBFYRCEI-NRFANRHFSA-N 448.585 3.558 0 40 IHAB CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1ccc(Br)c(C)c1 224080596 PBQPXGRYFYKKRI-KRWDZBQOSA-N 447.373 3.732 0 40 IHAB Cc1ccccc1OCCNC(=O)C1=C(c2ccccc2)c2ccccc2N(C)S1(=O)=O 224567679 HVGZSULMMSPMHF-UHFFFAOYSA-N 448.544 3.729 0 40 IHAB Nc1ccc(-c2cccc(C(=O)N3CCOC[C@H](Cc4cnc5ccccc5c4)C3)n2)cn1 257212147 CCCUVLSUNRXOHK-LJQANCHMSA-N 439.519 3.605 0 40 IHAB O=C(c1ccccc1Cn1cccn1)N1CCC[C@]2(C[C@@H](Oc3ccc(F)cc3)CO2)C1 257233095 GNTYLDMVKBBVFM-RDGATRHJSA-N 435.499 3.913 0 40 IHAB O=C(NC[C@@H](O)c1ccc(-c2ccsc2)o1)C(=O)Nc1ccc(OC(F)(F)F)cc1 390831086 PNSMHSZHLCSABB-CQSZACIVSA-N 440.399 3.695 0 40 IHAB CCc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3OC)C2)cc1 408556561 DMHJSEMQQXRXEO-INIZCTEOSA-N 436.961 3.950 0 40 IHAB COc1ccc(C(=O)OCC(=O)Nc2ccc(Br)c(Cl)c2)cc1OC 408646625 QDPGDTIJNZFVFH-UHFFFAOYSA-N 428.666 3.915 0 40 IHAB CCCOC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(F)cc2)cc1 408667839 RNVGRHJCZPFFJO-UHFFFAOYSA-N 444.459 3.683 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NC12CC3CC(CC(C3)C1)C2 408703532 SFDIIAHNOIDQKF-UHFFFAOYSA-N 446.613 3.814 0 40 IHAB COc1cc(OC)c(OC)cc1/C=C1/NC(=O)N(Cc2ccc(Br)cc2)C1=O 408928374 AMLYKTHHPMRGEQ-OVCLIPMQSA-N 447.285 3.568 0 40 IHAB CCOc1ccc(N([C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)S(C)(=O)=O)cc1 409267190 TWTFWXFOTSBFIZ-ZDUSSCGKSA-N 430.448 3.897 0 40 IHAB CC[C@@H]1CN(C(=O)NCc2nc(-c3ccc(Cl)cc3)c(C)s2)CCN1C[C@H](C)O 541444630 SAMHDUFYCHUZCF-KBXCAEBGSA-N 437.009 3.759 0 40 IHAB O=C(CSc1nc2ccccc2o1)N1CCC[C@@H](Oc2ncc(Br)cn2)C1 575613220 PSDVINUQQVSEOL-CYBMUJFWSA-N 449.330 3.542 0 40 IHAB Cc1ccc(C(=O)N[C@@H](CC(=O)NC[C@H](CO)Cc2ccccc2)c2ccccc2)cc1 605544093 FEJRJOYZJSIXMT-RDGATRHJSA-N 430.548 3.824 0 40 IHAB CC1(C)Cc2cccc(C(=O)N3CCNC(=O)[C@H]3c3ccc(OC(F)(F)F)cc3)c2O1 1127948934 HDFHEESOIJURPD-QGZVFWFLSA-N 434.414 3.612 0 40 IHAB Cc1nc2ccc(C(=O)N3CCNC(=O)[C@H]3Cc3cccc(-c4ccncc4)c3)cc2s1 1848351837 YGVHQWZYVNUYFH-JOCHJYFZSA-N 442.544 3.850 0 40 IHAB CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1cc(OC)ccc1OC 908412 MNKWGAPRGIVMMF-UHFFFAOYSA-N 442.541 3.933 0 40 IHAB Cc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccco4)CC(=O)N32)cc1 2105265 XFTQWUTXPFMYDX-DHLKQENFSA-N 425.488 3.954 0 40 IHAB biogenic CSCC[C@@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1ccc(C)c(Cl)c1 2188661 YEJRAHWZXXKOQR-GOSISDBHSA-N 434.945 3.682 0 40 IHAB aggregator,biogenic Cn1c(SCC(=O)NC2CC2)nnc1-c1cccc(NC(=O)c2ccccc2Cl)c1 2200144 IYIUREDMHORJMP-UHFFFAOYSA-N 441.944 3.759 0 40 IHAB CCN(CC)C(=O)c1sc(NC(=O)c2cc3ccccc3c(=O)o2)c(C(=O)OC)c1C 2503195 KOARNEHFXMJJNO-UHFFFAOYSA-N 442.493 3.684 0 40 IHAB Cc1ccccc1Nc1nnc(SCC(=O)Nc2sc3c(c2C(N)=O)CCC3)s1 2619232 GSQFNYKHLSHSRE-UHFFFAOYSA-N 445.595 3.970 0 40 IHAB Cc1ccccc1CN1CCc2c(OCC(=O)Nc3ccc4c(c3)OCO4)cccc2C1=O 2716593 RLGYUAGJYRJNGO-UHFFFAOYSA-N 444.487 3.940 0 40 IHAB O=C(COC(=O)c1ccccc1I)Nc1ccccc1OC(F)F 3282436 WHRFRLLTDCCJQA-UHFFFAOYSA-N 447.175 3.688 0 40 IHAB CC(=O)c1ccccc1NC(=O)CSc1nnc(Cc2cccc3ccccc23)n1N 3302681 DKDVSQAXWFDGQF-UHFFFAOYSA-N 431.521 3.669 0 40 IHAB CCc1nnc(NC(=O)CSc2nnc(-c3ccncc3)n2Cc2ccccc2)s1 4375045 RJMBXIYCJMDWFM-UHFFFAOYSA-N 437.554 3.533 0 40 IHAB CCCCN(C(=O)CNC(=O)c1cccs1)[C@H](C(=O)NC(C)(C)C)c1ccccc1 5000510 OGLBGRHOTLXCFZ-FQEVSTJZSA-N 429.586 3.763 0 40 IHAB CN(Cc1nc2ccccc2s1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 8774280 XABQWTMQBWAVDW-KRWDZBQOSA-N 449.985 3.761 0 40 IHAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc(C(=O)NC4CC4)c3)c2)c1 9157149 YETTXWZAQPGPFT-UHFFFAOYSA-N 449.532 3.940 0 40 IHAB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2N2CCCC2=O)cc1 9376686 BLCYRGLKMHXGKL-UHFFFAOYSA-N 449.532 3.891 0 40 IHAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(OC(F)F)c(Cl)c1 9612629 ZGNCRWWHASEBNQ-INIZCTEOSA-N 444.887 3.657 0 40 IHAB CCCc1cc(=O)[nH]c(SCC(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)n1 9684604 KVWRRKXFXAWMBR-UHFFFAOYSA-N 446.554 3.594 0 40 IHAB CC[C@](C)(C(=O)NC1CCCC1)N(Cc1cccs1)C(=O)CNC(=O)c1ccccc1 9834861 HXJKCAAMAMXRPF-XMMPIXPASA-N 441.597 3.734 0 40 IHAB O=S(=O)(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1cc(Cl)ccc1Cl 10213426 MJHBLBJXFNLQNW-UHFFFAOYSA-N 435.354 3.724 0 40 IHAB COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(Cl)cc3Cl)n2N)cc1 10921710 QDNFZRUOBXONNT-UHFFFAOYSA-N 438.340 3.629 0 40 IHAB Cc1nc(NC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)sc1C(=O)OCC(C)C 11916028 ISVLDJUEVZZBFC-UHFFFAOYSA-N 443.481 3.943 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1=C(c2ccccc2)SCCO1 12390913 XIDPGCFFLUDEAN-UHFFFAOYSA-N 444.578 3.932 0 40 IHAB CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)Cc3c[nH]c4ccccc34)n2)cc1 12507834 IBRQCLNUFWVQDP-UHFFFAOYSA-N 426.523 3.844 0 40 IHAB Cc1noc(C)c1CCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 12745130 MNUIRSCSPDWHET-UHFFFAOYSA-N 425.938 3.691 0 40 IHAB Cc1nc(COc2cccc(C(=O)Nc3cc(S(N)(=O)=O)cc(C)c3C)c2)cs1 12777836 CTLZNUKZKWLUSA-UHFFFAOYSA-N 431.539 3.547 0 40 IHAB CN(C)S(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)cc1 12792276 PBCDNAZALOPDAZ-UHFFFAOYSA-N 436.493 3.635 0 40 IHAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)C1=NN(c2cc(C)ccc2C)C(=O)CC1 12933278 MTBPEICLSMYWLI-UHFFFAOYSA-N 442.466 3.552 0 40 IHAB O=S(=O)(N[C@H](CN1CCOCC1)c1ccccc1)c1cc(C(F)(F)F)ccc1Cl 13000920 NGELAZUIPQADGI-QGZVFWFLSA-N 448.894 3.711 0 40 IHAB Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)Nc1nc(CN2CCCCCC2)cs1 13002014 WTGCAFZFRHESCW-UHFFFAOYSA-N 448.614 3.521 0 40 IHAB NC(=O)c1c(NC(=O)CN2CCc3sccc3[C@H]2c2ccccc2)sc2c1CCC2 13164800 MRRYZSVPLHNTPD-OAQYLSRUSA-N 437.590 3.983 0 40 IHAB O=C(N[C@@]1(C(F)(F)F)N=C(c2ccccc2)N(Cc2ccco2)C1=O)c1cccs1 13608770 OGVGPAOFGPGDKJ-IBGZPJMESA-N 433.411 3.819 0 40 IHAB Cc1ccc(NC(=O)C[C@@H]2C(=O)N[C@H]3CCCC[C@@H]3N2C(=O)c2ccco2)cc1Cl 14165481 BGYZYPSRCPPAAE-OKZBNKHCSA-N 429.904 3.522 0 40 IHAB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)NCc1ccccc1Cl 15398001 NPIPRVBPRRJHJW-UHFFFAOYSA-N 432.904 3.991 0 40 IHAB Cc1ccc2oc(C(=O)N(Cc3cccc(Cl)c3)[C@H]3CCS(=O)(=O)C3)cc(=O)c2c1 15831136 WDOCCDXXUSBRIY-KRWDZBQOSA-N 445.924 3.584 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)Nc2cccc(SC)c2)cc1 15881603 FKGAWTZIMYZPDW-KRWDZBQOSA-N 434.583 3.989 0 40 IHAB Cc1ccccc1Nc1nc(N)nc(CSCC(=O)N[C@H]2CCCc3ccccc32)n1 16046882 RUEGGWOHIXHIPL-IBGZPJMESA-N 434.569 3.933 0 40 IHAB NC(=O)[C@@H]1CCCN(Cc2cc(Br)cc3c2O[C@H](c2ccccc2)OC3)C1 16694637 KMVNPNULZZJUFA-QVKFZJNVSA-N 431.330 3.754 0 40 IHAB Oc1ccc(N2CCN([C@H](c3cccs3)c3nnnn3CCc3ccccc3)CC2)cc1 19371477 BEDLASVQJVOIHR-HSZRJFAPSA-N 446.580 3.595 0 40 IHAB aggregator CCCN1CCN(C(=O)c2nccn2C)C[C@@H](Cc2ccc(-c3cccs3)cc2)C1=O 19502908 IPLUJNVJOTUIES-HXUWFJFHSA-N 436.581 3.702 0 40 IHAB Cc1nc([C@H]2CCCN2C(=O)CCCc2ccccn2)nc2c1CCC(=O)N2CC(C)C 19742096 RLDDYSWBWJCKCD-OAQYLSRUSA-N 435.572 3.802 0 40 IHAB Cc1cccn2cc(C(=O)Nc3cnn(CC(=O)Nc4cccc(C(F)(F)F)c4)c3)nc12 19746089 WRNJSEMNRSVGGR-UHFFFAOYSA-N 442.401 3.749 0 40 IHAB CCc1cccc(CC)c1NC(=O)C1=C(C)c2cc(OC)c(OC)cc2N(C)S1(=O)=O 20063973 CWYFSNFUUHHYAD-UHFFFAOYSA-N 444.553 3.978 0 40 IHAB Cc1c(C(=O)N2CCN(c3ccccc3O)CC2)cnn1-c1cccc(C(F)(F)F)c1 22990888 CRUSTTHSHXFZDC-UHFFFAOYSA-N 430.430 3.868 0 40 IHAB O=C(Cc1cc(=O)[nH]c(SCc2cccc(Cl)c2)n1)Nc1ccc2c(c1)OCCO2 23138250 SKJVRCJBTLGXSG-UHFFFAOYSA-N 443.912 3.668 0 40 IHAB COc1ccc(C)cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 24608701 HUHGLEBJEIVSRH-UHFFFAOYSA-N 436.961 3.838 0 40 IHAB CCCCCn1c(CCC(=O)N[C@@H]2CCCC[C@H]2C)nc2c1c(=O)[nH]c(=O)n2CCCC 26978692 UTEGXHZKUTWGQM-QZTJIDSGSA-N 445.608 3.504 0 40 IHAB Cc1ccc(-n2c(SCC(=O)N[C@H]3CCOc4ccccc43)nnc2N2CCCC2)cc1 28034163 AIOJDCKWAPKVKY-FQEVSTJZSA-N 449.580 3.908 0 40 IHAB COc1ccc(OC)c(CN2CCN(C(=O)c3cc4cc(OC)ccc4nc3C)CC2)c1 29985419 BDJGIOLJQLAHBR-UHFFFAOYSA-N 435.524 3.527 0 40 IHAB CCN1CCN(c2ccc(NC(=S)NC(=O)c3cccc(OCC(C)C)c3)cc2)CC1 32125243 JIARQFRHPZKCJB-UHFFFAOYSA-N 440.613 3.990 0 40 IHAB CC(=O)c1cccc(N2C(SCc3ccc(C)c(C)c3)=N[C@H]3CS(=O)(=O)C[C@@H]32)c1 32641102 XYFCYCZBFKYJAL-SFTDATJTSA-N 428.579 3.781 0 40 IHAB C[C@H](NS(=O)(=O)c1ccc(OCC(=O)N2CCCCC2)c(Cl)c1)c1ccccc1 34702480 ZDCNSZKBGFKSFX-INIZCTEOSA-N 436.961 3.771 0 40 IHAB COc1ccc([C@H](CNC(=O)c2nc(N3CCCC3)ncc2Cl)N2CCCCC2)cc1 40140860 BSSCDHQPSUIFSX-FQEVSTJZSA-N 443.979 3.696 0 40 IHAB CCc1ccc(-c2nn(CC)c(=O)c3c2CCCC3)cc1S(=O)(=O)N1CCC(C)CC1 44803399 ISCMSUUEBPXXOV-UHFFFAOYSA-N 443.613 3.792 0 40 IHAB Cc1ccc(Cl)cc1NC(=O)Cn1nc2c(SC3CCCCC3)nccn2c1=O 49008992 PSDXZZOKJPJHLP-UHFFFAOYSA-N 431.949 3.916 0 40 IHAB O=C(Cn1ncn2nc(-c3cccc4ccccc34)cc2c1=O)Nc1ccc(F)cc1F 67208473 HRAGHGCGCYLGEA-UHFFFAOYSA-N 431.402 3.628 0 40 IHAB CCOC(=O)N1CCN(c2c(C(=O)N3CCCCC3)cnc3ccc(Cl)cc23)CC1 72328404 VDDPBRPBVXZHAV-UHFFFAOYSA-N 430.936 3.793 0 40 IHAB COc1cc(C(=O)N2CCC[C@@H](c3ccnc(-c4cccnc4)n3)C2)cc(OC)c1OC 72389625 FVCPYQMTWUPKGK-QGZVFWFLSA-N 434.496 3.584 0 40 IHAB COc1ccc(Cl)cc1NC(=O)Nc1cnc(N2CCN(c3ccccn3)CC2)nc1 77196668 DLGNRJDLHAZUNI-UHFFFAOYSA-N 439.907 3.504 0 40 IHAB COCCN(CCOc1ccc(F)cc1)C(=O)[C@H]1CCn2c(cnc2-c2ccccc2)C1 95993198 MVOHUPVGJJZNKB-FQEVSTJZSA-N 437.515 3.806 0 40 IHAB O=C(CCS(=O)(=O)c1ccccc1)Nc1ccccc1Cc1nc(-c2ccncc2)no1 96119645 INIOZHCXJWNLOR-UHFFFAOYSA-N 448.504 3.525 0 40 IHAB Cc1ccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)C(=O)C(F)(F)F)cc1Cl 100395236 BTNBWUOESNLRPD-HGDXVPPDSA-N 438.833 3.554 0 40 IHAB O=C(CCn1ccc2ccc(Br)cc21)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 100789550 ZTBJTNZXYAYXLK-RDJZCZTQSA-N 440.341 3.602 0 40 IHAB O=C(NC1CCCC1)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)sc2c1CCC2 102340178 OWWBZGDRILUOGN-UHIXZJCNSA-N 428.554 3.761 0 40 IHAB Cc1ccc(S(=O)(=O)NC[C@H]2CCCN([C@H](C)c3nc(-c4cccs4)no3)C2)cc1 106183716 QBHFPDIZTXWYSJ-IAGOWNOFSA-N 446.598 3.858 0 40 IHAB Cc1ccc(Oc2ccc(NC(=O)CN3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@@H]6C[C@H]56)[C@H]4C3=O)cc2)cc1 195750839 HDGXAMFZBUFNBI-ICTYLJJWSA-N 428.488 3.779 0 40 IHAB CC[C@@H](C(=O)NCCCc1ccccc1OC)N(c1ccc(Cl)cc1)S(C)(=O)=O 219106489 FIRBBWOGZLMUBH-IBGZPJMESA-N 438.977 3.642 0 40 IHAB CC[C@H](C(=O)N[C@@H](C)COc1ccccc1C)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220582813 XMMUPNBLFXBZRM-PZJWPPBQSA-N 432.586 3.740 0 40 IHAB O=C(NCCCc1ccccc1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 222619486 CPXXPVFKBPNXDV-FQEVSTJZSA-N 434.989 3.631 0 40 IHAB CC[C@H](C(=O)n1cc(C(=O)OC)c2ccccc21)N(c1cccc(C)c1)S(C)(=O)=O 222633637 LAGGWYKROVCOCX-LJQANCHMSA-N 428.510 3.621 0 40 IHAB CC(C)Oc1ccc(N(CC(=O)NCc2cccc3ccccc23)S(C)(=O)=O)cc1 222867582 KPCCHWRTECEFAE-UHFFFAOYSA-N 426.538 3.709 0 40 IHAB COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3F)cc2)cc1 224522649 ALWIEJTXTHCMEW-UHFFFAOYSA-N 430.457 3.653 0 40 IHAB CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1ccc(Br)cc1 225062144 PQOIGKFFEIUKAJ-QGZVFWFLSA-N 447.373 3.814 0 40 IHAB CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCc1ccc2c(c1)OCCO2 225453066 GWHFBCTVHYYICU-WOJBJXKFSA-N 438.568 3.765 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)c(C)c1 225520968 OAJGTXFHBWKFIY-IBGZPJMESA-N 444.553 3.520 0 40 IHAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 225570764 YOBUWWVPKRLGTQ-FQEVSTJZSA-N 444.553 3.512 0 40 IHAB CC1CCN(c2cc(Cl)nc(NC(=S)NCc3ccc4c(c3)OCCO4)n2)CC1 226016049 VKVVETOIGFMJBV-UHFFFAOYSA-N 433.965 3.624 0 40 IHAB COc1ccc(-c2nc(CC(=O)NC[C@H]3CCCN4CCCC[C@@H]34)cs2)cc1OC 229710190 CIGXKYOEWKEYLD-MJGOQNOKSA-N 429.586 3.751 0 40 IHAB Cc1ccc(C(=O)N2CCC(COc3ccccc3)(CC(=O)N3CCOCC3)CC2)cc1 257200301 ACUMWSMCMJXDHI-UHFFFAOYSA-N 436.552 3.545 0 40 IHAB CCN(CC)C(=O)c1cnc(C)nc1[C@H]1CC[C@H](CNC(=O)CCc2ccco2)CC1 257330920 XQPLYMNAFNBFAE-WGSAOQKQSA-N 426.561 3.883 0 40 IHAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCC3=CCCCC3)Oc3ccc(C)cc32)cc1 260850821 RKEPICBAKMNRLL-HSZRJFAPSA-N 440.565 3.876 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C)C2CCCCC2)cc1OC 408893879 OBBWDYOVKBMZBE-UHFFFAOYSA-N 446.569 3.974 0 40 IHAB Cc1ccc(N2C[C@@H](C(=O)NCc3nc(C4CCC(F)(F)CC4)no3)CC2=O)cc1C 575606843 MOPFRINPAXLCEP-INIZCTEOSA-N 432.471 3.649 0 40 IHAB O=C1CN(Cc2ccccc2)Cc2ccc(C(=O)NCC3CC3)cc2OCCCCCN1 643573558 YKFKPKLTKSPIRW-UHFFFAOYSA-N 435.568 3.508 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(C(=O)N=[S@](C)(=O)c3ccccc3)cc2)cc1 1635434666 QHOYVWQKJHEIHZ-GDLZYMKVSA-N 444.534 3.793 0 40 IHAB Cn1c(=O)c2c(nc(Sc3ccccc3)n2Cc2ccc(Cl)c(Cl)c2)n(C)c1=O 851292 ODCPRRLLZVUONK-UHFFFAOYSA-N 447.347 3.940 0 40 IHAB COc1ccc(Cl)cc1N(CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1C2)S(=O)(=O)c1ccccc1 979242 GAMCNWBXPVQUKW-FRQCXROJSA-N 448.972 3.849 0 40 IHAB Cc1c(N[C@H](NC(=O)c2ccco2)C(Cl)(Cl)Cl)c(=O)n(-c2ccccc2)n1C 1103528 CBXOYCOCIJEOIZ-QGZVFWFLSA-N 443.718 3.616 0 40 IHAB COc1cc(/C=c2\sc3nc(-c4ccccc4)nn3c2=O)ccc1OCc1ccccc1 1297610 VLZNLQLVRJDZQG-JCMHNJIXSA-N 441.512 3.953 0 40 IHAB C[C@H]1CCC[C@@H](C)N1C(=O)CN1C(=O)C(C)(C)Oc2ccc(C(=O)NC3CCCC3)cc21 1342254 UMJTURIPOSHRNV-CALCHBBNSA-N 441.572 3.653 0 40 IHAB COc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(C3CCCC3)CC(=O)N21 2117261 UVPHCLCNFXTFMC-OFVILXPXSA-N 429.520 3.804 0 40 IHAB biogenic O=C(CCS(=O)(=O)c1ccccc1Cl)OCC(=O)c1ccc(Br)cc1 3220870 IRYOQBZIYANKJJ-UHFFFAOYSA-N 445.718 3.692 0 40 IHAB COc1cccc([C@]2(C)NC(=O)N(CC(=O)c3cc(C)n(Cc4ccccc4)c3C)C2=O)c1 3357368 ZHJGJJBZUIKLDX-SANMLTNESA-N 445.519 3.812 0 40 IHAB Cc1cc(OCC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c2c3c(c(=O)oc2c1)CCCC3 4073740 SCAYQZCNHCNDIC-GKVSMKOHSA-N 425.525 3.513 0 40 IHAB biogenic Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)COC(=O)c3ccccc3O)cc2)cc1 8384426 WBTAGRNYDOQSID-UHFFFAOYSA-N 426.446 3.508 0 40 IHAB O=C1N/C(=C/c2ccc(O)c(I)c2)C(=O)N1c1ccc(Cl)cc1 8400811 CWIJFNUNFJEYHQ-MDWZMJQESA-N 440.624 3.748 0 40 IHAB O=C(CN1C(=O)CC2(CCCCC2)C1=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 8721392 ZAAIMSGJZJEFOK-UHFFFAOYSA-N 437.462 3.954 0 40 IHAB CCOC(=O)[C@@H](C(=O)NCc1cccc(OC)c1)c1ncc(C(F)(F)F)cc1Cl 8773039 CXDSUTPRHKIHHA-OAHLLOKOSA-N 430.810 3.726 0 40 IHAB Cc1cc(C)c(O)c(-c2[nH]nc3c2[C@@H](c2ccc(Br)cc2)N(CCO)C3=O)c1 9124035 AVWNQWTVIVPVJQ-LJQANCHMSA-N 442.313 3.699 0 40 IHAB Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cccc(C)c3C)nc2N)cc1 9152148 HRXYLYQNNSDOLE-UHFFFAOYSA-N 442.566 3.548 0 40 IHAB CCCOc1ccc([C@H]2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2CCN(C)C)cc1 9328362 ZYTXREJSXFJXLQ-QFIPXVFZSA-N 436.508 3.697 0 40 IHAB CCOc1ccc(-c2noc(CN([C@@H]3CCCc4ccccc43)S(C)(=O)=O)n2)cc1 9410099 UVOUTNVEYYSYKN-HXUWFJFHSA-N 427.526 3.975 0 40 IHAB Cc1ccc(-n2ncc3c(SCC(=O)Nc4ccc5c(c4)OCCO5)ncnc32)c(C)c1 9517747 DPEYQXQRSUWNCL-UHFFFAOYSA-N 447.520 3.934 0 40 IHAB CCOC(=O)CCC(=O)Nc1c(C(=O)Nc2ccc(OC)c(OC)c2)oc2ccccc12 9518458 MJMQPMXPQPJAEZ-UHFFFAOYSA-N 440.452 3.984 0 40 IHAB COc1ccc(C(C)=O)cc1CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 9606971 AIGDSRLHFHVISR-UHFFFAOYSA-N 444.553 3.562 0 40 IHAB Cc1noc(C)c1COc1cccc(C(=O)N(C)Cc2ccccc2N2CCOCC2)c1 9950956 OQFMUINVRCNVII-UHFFFAOYSA-N 435.524 3.979 0 40 IHAB O=C(NCCC1=CCCCC1)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 10009355 NLJYYRGCMIUSOX-HSZRJFAPSA-N 440.565 3.791 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2C)cc1 10113043 XUGWUBRBMSVLIC-UHFFFAOYSA-N 438.505 3.763 0 40 IHAB CC(=O)Nc1ccc(NC(=O)CCCN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 10330980 GMIFTSAQVWLYNX-UHFFFAOYSA-N 437.949 3.792 0 40 IHAB CN(Cc1ccc(F)cc1)C(=O)COC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 10886437 TZYHSLVBHXUCET-UHFFFAOYSA-N 439.462 3.845 0 40 IHAB O=C(CSc1nnnn1Cc1ccco1)NCc1ccc(-c2ccc(Cl)cc2)o1 11311492 HPWYWVJOUISOCD-UHFFFAOYSA-N 429.889 3.636 0 40 IHAB CCn1c(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)nc2c(c1=O)S[C@@H](C)C2 11726499 JBDWVQRHGHGPKV-JTQLQIEISA-N 445.488 3.929 0 40 IHAB CCc1ccc(OC[C@H](O)Cn2c(CNC(=O)c3ccccc3)nc3ccccc32)cc1 12549746 FUQNPAUXQYXOGU-OAQYLSRUSA-N 429.520 3.969 0 40 IHAB COC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@@H]1c1ccc(OC)c(OC)c1OC 12561841 OYSQRHWMCQGCHP-GOSISDBHSA-N 428.510 3.595 0 40 IHAB CC(C)n1ncc2c(C(=O)Nc3ncccc3O)cc(-c3ccc4c(c3)OCCO4)nc21 12638085 KXTMLPDGMGYXCU-UHFFFAOYSA-N 431.452 3.803 0 40 IHAB CCn1c(=O)c2ccccc2n(CC(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)c1=O 12677316 TWYABRFPMGVMSJ-LJQANCHMSA-N 448.548 3.547 0 40 IHAB Cc1ccc([C@H](C)NC(=O)CN2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1C 12752849 RXUYJHAHMDPORI-IBGZPJMESA-N 436.552 3.847 0 40 IHAB Cc1nnsc1C(=O)N1CCC(c2nc3ccccc3cc2C(=O)N2CCCC2)CC1 12753732 AVCZXDWLMBAMEP-UHFFFAOYSA-N 435.553 3.651 0 40 IHAB O=C(NC[C@H](c1cccs1)N1CCOCC1)C1(c2ccc(Br)cc2)CC1 12806488 SUQYWLSVANBNHL-QGZVFWFLSA-N 435.387 3.732 0 40 IHAB Cc1cc(C(=O)CN2C(=O)N[C@]3(CCCCc4ccccc43)C2=O)c(C)n1C[C@@H]1CCCO1 12854271 NXEMOFOAVWHRCX-FNZWTVRRSA-N 449.551 3.640 0 40 IHAB CCc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1 12917571 YJVGSRZRWDMCIW-UHFFFAOYSA-N 440.609 3.797 0 40 IHAB Cc1cc(C(=O)Cn2nnc(-c3cccs3)n2)c(C)n1C[C@H]1COc2ccccc2O1 13062580 QJYQFVCXNRAVSQ-INIZCTEOSA-N 435.509 3.543 0 40 IHAB COc1ccc(NC(=O)c2ccc(COC(=O)CCn3c(C)csc3=O)cc2)cc1 13112619 RZLAKCUUXUZVDT-UHFFFAOYSA-N 426.494 3.613 0 40 IHAB O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1F)N[C@H]1CCCc2ccccc21 13115995 GDDIPLMKQRVEIP-NRFANRHFSA-N 442.512 3.803 0 40 IHAB CC(C)COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC(C)C)[C@@H]1c1ccc(Cl)cc1 13598905 PCHLMRSRHSVUTR-UGTOYMOASA-N 438.948 3.778 0 40 IHAB CCCCCc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)s1 14714274 MPAIAKWFYRIAPT-UHFFFAOYSA-N 442.994 3.961 0 40 IHAB O=C(NCc1ccccn1)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 15434248 PLLNTQJEGMFPAI-UHFFFAOYSA-N 446.326 3.575 0 40 IHAB CCOc1ccccc1C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1ccc(OC)cc1 15781107 YJECUMQVBHRBIM-NRFANRHFSA-N 429.494 3.632 0 40 IHAB O=S(=O)(Nc1ccccc1I)c1cccc(Br)c1 16101391 UQOAMVCSLMZNCL-UHFFFAOYSA-N 438.084 3.855 0 40 IHAB C[C@@H](NC(=O)COc1ccccc1C(=O)Nc1ccccc1)c1ccc2c(c1)OCCO2 16685002 YJBLTFAJTHRAGD-QGZVFWFLSA-N 432.476 3.966 0 40 IHAB Cc1ccc(-c2ccccc2C[C@@H]2CN(C(=O)c3cc(C(C)C)n[nH]3)CCNC2=O)cc1 19212888 NLNKQAIXMHWJHH-OAQYLSRUSA-N 430.552 3.939 0 40 IHAB Cc1noc(C)c1CC(=O)N1CCC[C@H](c2nc(N(C)C)ncc2-c2ccccc2F)C1 19694200 GALMMTHRDOSYIC-KRWDZBQOSA-N 437.519 3.902 0 40 IHAB Cc1nc([C@H]2CCCN2Cc2cccnc2N(C)C)ncc1C(=O)NCc1ccc(F)cc1 19755038 HFHFEGIUXVKILI-JOCHJYFZSA-N 448.546 3.652 0 40 IHAB Cc1nc([C@H]2CCCN2C(=O)CN2CCC(C)CC2)ncc1C(=O)Nc1ccc(F)cc1 19755060 XGGSULWFQGKYAE-OAQYLSRUSA-N 439.535 3.572 0 40 IHAB O=C(NC1CCCC1)c1cncnc1CC1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 19756768 SVDUTCASPBSESB-UHFFFAOYSA-N 445.567 3.654 0 40 IHAB CCOc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3cccc(Cl)c3)C2)cc1 19860152 DXZHKEDBAFABCT-KRWDZBQOSA-N 436.961 3.919 0 40 IHAB CCCCC[C@@H](C)NC(=O)CCc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1C 21053131 UYBKIPWLJPGYOT-QGZVFWFLSA-N 436.622 3.621 0 40 IHAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(C2CC2)n1Cc1ccco1 21097271 UDURIJJVANZIFY-AWEZNQCLSA-N 437.525 3.653 0 40 IHAB Oc1c([C@H](c2ccccc2)N2CCC3(CC2)OCCO3)sc2nc(-c3ccco3)nn12 22851778 CODXVIRYHPPVKH-KRWDZBQOSA-N 438.509 3.685 0 40 IHAB O=C(NC1CC1)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(F)cc2F)cc1 23026341 BUPXWBQBEMEFBS-UHFFFAOYSA-N 446.475 3.841 0 40 IHAB CCOc1cc(CNCCN2CCOCC2)cc(Br)c1OCc1ccccc1 23471947 TVNSPIQEDQORHP-UHFFFAOYSA-N 449.389 3.849 0 40 IHAB O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)Nc1cccc(-c2nnco2)c1 24696363 RQSAUYDFBQVRCE-UHFFFAOYSA-N 426.432 3.905 0 40 IHAB Cc1cccc(OCC(=O)N(Cc2c(F)cccc2Cl)[C@@H]2CCS(=O)(=O)C2)c1C 27663524 UGEMPYCWAKUIJT-MRXNPFEDSA-N 439.936 3.691 0 40 IHAB Cc1sc2ncnc(N3CCC(C(=O)NC[C@H](c4ccco4)N(C)C)CC3)c2c1C 29690952 MLOALIJVAFGSPS-QGZVFWFLSA-N 427.574 3.537 0 40 IHAB COc1cc(C2SCCS2)ccc1OC(=O)CCn1cnc2ccccc2c1=O 32493216 FQJCZHMKRLAPBW-UHFFFAOYSA-N 428.535 3.879 0 40 IHAB O=C(Nc1ccc(Cl)cn1)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 32517541 GLIRKOHAQVKSQU-UHFFFAOYSA-N 447.866 3.793 0 40 IHAB O=S(=O)(c1ccc2oc(SCc3cn4ccccc4n3)nc2c1)N1CCCCC1 32911164 JAZCVVXGJMXRPO-UHFFFAOYSA-N 428.539 3.942 0 40 IHAB NC(=O)NC[C@H]1CCCN(CC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)C1 32935680 QAYGIYPXLZGXIY-OAHLLOKOSA-N 432.977 3.810 0 40 IHAB COC(=O)[C@H]1SC(c2ccc(OC)cc2)=C[C@@H]2C1=C(O)C(=O)N2c1ccc(OC)cc1 35193517 SUMFSRMKABIKMS-UTKZUKDTSA-N 439.489 3.561 0 40 IHAB CC(C)C(=O)Nc1ccc2[nH]cc([C@@H](C(=O)O)N3CCN(Cc4cccs4)CC3)c2c1 36359855 KOQPIBHUQDXZDN-NRFANRHFSA-N 440.569 3.767 0 40 IHAB CCOc1ccc([C@@H](C)NC(=O)c2cc(C)c(C)c(S(=O)(=O)N(C)C)c2)cc1OCC 36758729 NKDPEBCIZCBSEI-QGZVFWFLSA-N 448.585 3.842 0 40 IHAB CC[C@H](Oc1ccccc1C)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC 38754142 YFMVEMZYKXCCFD-FQEVSTJZSA-N 446.569 3.974 0 40 IHAB CCN(CC)C(=O)Cn1cc(/C=C2\NC(=S)N(c3ccccc3)C2=O)c2ccccc21 39556623 PRLZFCVDGJFPEN-ZHZULCJRSA-N 432.549 3.772 0 40 IHAB CCN(CC(=O)Nc1cc(OC)c(Cl)cc1OC)S(=O)(=O)c1ccc(Cl)cc1 39985976 NANHFWLTQTZNCC-UHFFFAOYSA-N 447.340 3.660 0 40 IHAB Cc1ccc(Cl)cc1N([C@H](C)C(=O)NCc1ccc(OC(C)C)cc1)S(C)(=O)=O 44883844 FLKAYSMPNBXZFF-MRXNPFEDSA-N 438.977 3.907 0 40 IHAB CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1ccc2c(c1)OCO2 46004165 NJEGCNJUABNRNH-UHFFFAOYSA-N 436.489 3.792 0 40 IHAB COc1ccc(N2C[C@H](C(=O)Nc3ccc4oc(C(F)(F)F)nc4c3)CC2=O)cc1OC 48356445 DKLDZRYWRVPRSA-LLVKDONJSA-N 449.385 3.855 0 40 IHAB CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1ccc(C(=O)O)cc1 59176467 NVQSEAVBFDEKHC-UHFFFAOYSA-N 440.525 3.923 0 40 IHAB COc1cccc([C@@H]2[C@@H](C(=O)Nc3nc4ccc(C)cc4s3)CC(=O)N2C)c1OC 61720274 AVLSVUZUYBJDPZ-IFXJQAMLSA-N 425.510 3.780 0 40 IHAB CCN1CCc2nc(-c3ccc(F)cc3)n(CC(=O)Nc3c(C)cc(C)cc3C)c(=O)c2C1 62007151 ZWMCRPLJDXLQOA-UHFFFAOYSA-N 448.542 3.991 0 40 IHAB COCc1nnc(NC(=O)[C@H]2c3ccccc3C(=O)N(CC(C)C)C23CCCC3)s1 71279589 RMHPHUKKIJHYLL-GOSISDBHSA-N 428.558 3.831 0 40 IHAB CC(C)Oc1cc(CCC(=O)N2CCNC(=O)[C@@H]2Cc2ccccc2-c2ccccc2)on1 72351581 WJTQMKAWWXWHAB-QHCPKHFHSA-N 447.535 3.631 0 40 IHAB COCCNC(=O)c1sc2ccccc2c1C[C@H]1CCCN1Cc1cn(C)nc1C 72370355 KMCOWUWYSJCHCV-GOSISDBHSA-N 426.586 3.527 0 40 IHAB COc1ccc(CNC[C@H]2O[C@H](Cc3cc(-c4ccc(OC)cc4)on3)CC[C@@H]2O)cc1 77263308 CYBWPIUPVOYFFD-SONWIMMPSA-N 438.524 3.600 0 40 IHAB biogenic,in-vitro CCOc1ccccc1[C@@H](CC(C)C)NC(=O)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O 95405965 CAMRDASJHDZVLL-OAHLLOKOSA-N 439.434 3.635 0 40 IHAB COC(=O)C[C@H](c1cc2cccc3c2n(c1=O)CCC3)c1c(O)ccc2c(C)cc(=O)oc12 96220863 VZYINRNNLUPWPI-GOSISDBHSA-N 445.471 3.763 0 40 IHAB biogenic COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCc2nc3ccccc3[nH]2)C12CCCCC2 96344400 CQIBJZFLTDBLEN-QHCPKHFHSA-N 446.551 3.768 0 40 IHAB Cc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@H]6C[C@H]56)[C@H]4C3=O)cc2)cc1 101079765 DSQGBAWXLOHXGX-FWDUKEBRSA-N 441.483 3.592 0 40 IHAB Cc1cccc(NC(=O)c2ccccc2NC(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)c1 102945761 ROHKHMMDPRCUDZ-KDURUIRLSA-N 433.508 3.751 0 40 IHAB CC[C@]1(C)c2sc(=O)[nH]c2S[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]21 106758207 ZAKUGGPVOJYUBM-RVPKQNPDSA-N 428.457 3.787 0 40 IHAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2F)cc1 107654058 SURZRLPJPLABLH-UHFFFAOYSA-N 446.475 3.803 0 40 IHAB C[C@H]1Cc2cc(S(=O)(=O)N3CCCCC3)ccc2N1C(=O)COc1ccccc1Cl 223086689 QLDPMEMKSCGCSI-INIZCTEOSA-N 448.972 3.871 0 40 IHAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN(C)C)c(C)n1-c1nccs1 223215030 RXJDNEIAYXDVEI-VQTJNVASSA-N 440.642 3.870 0 40 IHAB Cc1ccccc1OCCNC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 223747787 HNBUTRHYVQFVAT-UHFFFAOYSA-N 438.549 3.770 0 40 IHAB CCOC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(OCC)cc1 224595513 YWVQYMWUYFQYMT-UHFFFAOYSA-N 427.906 3.506 0 40 IHAB COC(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224622482 WWHFROJVDXSTFB-UHFFFAOYSA-N 448.324 3.687 0 40 IHAB CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C)c2)cc1OC 225201056 ASCQVPSCSRXJBU-FGZHOGPDSA-N 435.553 3.954 0 40 IHAB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)[nH]2)cc1C 225283432 OCUFEIYMZCGZJI-YADHBBJMSA-N 435.553 3.789 0 40 IHAB CC(C)(NS(=O)(=O)Cc1ccc(F)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 225923111 HUKGUQXITLREJS-UHFFFAOYSA-N 434.411 3.561 0 40 IHAB O=C(CCc1cccc(Oc2ccc(F)cc2)c1)N1CC(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)C1 238870698 MVDGLWRJDJOTAN-ZRZAMGCNSA-N 448.494 3.713 0 40 IHAB COc1ccccc1Cc1cnc([C@@H]2CCCN(C(=O)CN(C)Cc3ccccn3)C2)o1 257266537 MDKKMFGIXCDYMW-HXUWFJFHSA-N 434.540 3.507 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N1CCC(c2cccc(Nc3ncccn3)n2)CC1 257319192 VREQACJDAXBHJB-UHFFFAOYSA-N 439.541 3.501 0 40 IHAB O=C1NCCN(C(=O)CCc2ccc(Cl)cc2)[C@H]1Cc1ccc(-c2ccncc2)cc1 257319771 VTZOYHADOGANFD-QHCPKHFHSA-N 433.939 3.904 0 40 IHAB O=C(C[C@]1(COc2ccc(Cl)cc2)CN(Cc2cccnc2)CCO1)N1CCCCC1 257322301 WFKGOUJXWJEBEX-XMMPIXPASA-N 443.975 3.788 0 40 IHAB CS(=O)(=O)N(CC(=O)Nc1ccccc1Cl)Cc1ccc(Br)cc1 408612650 UAOWRHZRIOGSLY-UHFFFAOYSA-N 431.739 3.503 0 40 IHAB CCCCCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OCC)cc2)cc1C 408675454 ZXNHNMHZGWJDAL-UHFFFAOYSA-N 434.558 3.880 0 40 IHAB COc1ccc(-c2nnc(CN(C)S(=O)(=O)c3ccc4ccccc4c3)o2)cc1OC 408714838 XOGFXLJDAODKQU-UHFFFAOYSA-N 439.493 3.728 0 40 IHAB COc1cc(/C=C\C(N)=O)cc(I)c1OCc1ccc(F)cc1 409416275 XSJKBIIIRDSHKA-DAXSKMNVSA-N 427.213 3.516 0 40 IHAB O=C(Nc1nc(CC(=O)N2CC[C@@]3(CCc4ccccc4O3)C2)cs1)c1cccc(O)c1 565707908 GLZOYBFGWLNQTO-DEOSSOPVSA-N 449.532 3.640 0 40 IHAB COc1cccc(C2(c3noc(C(F)(F)c4ccccc4OCC(=O)N(C)C)n3)CC2)c1 584437084 QMFFZIGVRUHPAA-UHFFFAOYSA-N 443.450 3.765 0 40 IHAB COc1ccc(OC)c(-c2cc(C(=O)NC[C@@H](O)c3ccc(-c4ccco4)cc3)n(C)n2)c1 585147987 LKOHNDDWQUCALK-JOCHJYFZSA-N 447.491 3.828 0 40 IHAB O=C(Nc1cccc(C(=O)N2CCOCC2)c1)N1CCc2cc(C(F)(F)F)ccc2C1 1622887511 VWTQDGWXWFFPJB-UHFFFAOYSA-N 433.430 3.768 0 40 IHAB C[C@@H](NC(=O)C[C@@H](NC(N)=O)c1cccs1)c1nc2cc(Cl)c(Cl)cc2[nH]1 1641158661 UOHBDHDWTSMTAB-AMIZOPFISA-N 426.329 3.908 0 40 IHAB Cn1c(COc2ccc(Br)cc2)nnc1SCC(=O)NC1CCCCC1 933797 PSWLGLWLHCRWFU-UHFFFAOYSA-N 439.379 3.698 0 40 IHAB C[C@@H]1C[C@@H](C)CN([C@H]2CC(=O)N(c3ccc(Br)cc3Br)C2=O)C1 1064387 RCXIBGQGEIVURL-HFAKWTLXSA-N 444.167 3.821 0 40 IHAB CCOC(=O)c1cc2c(=O)n(CCOC(=O)c3cccc(C(F)(F)F)c3)ccc2nc1C 1385394 ZYGUCVMCGILPOG-UHFFFAOYSA-N 448.397 3.757 0 40 IHAB COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccco4)CC(=O)N32)c1 2105243 JDAGPWOCCGESNM-DHLKQENFSA-N 441.487 3.655 0 40 IHAB biogenic O=S(=O)(Nc1nc2ccccc2nc1NCc1ccco1)c1cccc2nsnc12 2235098 XCWUCUONIKOVHZ-UHFFFAOYSA-N 438.494 3.640 0 40 IHAB CCOC(=O)c1c(N)n(CCOC(=O)c2ccc(Cl)cc2)c2nc3ccccc3nc12 2305730 OWURUIHAIUCNPP-UHFFFAOYSA-N 438.871 3.854 0 40 IHAB O=C(c1ccccc1)[C@H]1[C@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN21 2336524 DUBAAHJGMOUHKK-MYDTUXCISA-N 439.446 3.587 0 40 IHAB CCCSc1nc2sc3c(c2c2nnc(SCC(=O)OC)n12)CC(C)(C)OC3 2337120 WNANHUOIKZNVHM-UHFFFAOYSA-N 438.600 3.958 0 40 IHAB COc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)Nc3nc(N4C(=O)CCC4=O)nn32)cc1 2390926 UXLUMINOBNLPDQ-ZWKOTPCHSA-N 437.887 3.740 0 40 IHAB CCCn1nc(C(=O)OCC(=O)Nc2ncc(Cl)c(C)c2Cl)c2ccccc2c1=O 2617319 JJTMJEWQDYBMMO-UHFFFAOYSA-N 449.294 3.612 0 40 IHAB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCCOc3ccccc3)o2)c1 2618449 MBAVXGNIVFYBIB-UHFFFAOYSA-N 433.555 3.938 0 40 IHAB Cc1cc2[nH]c(=O)cc(CSc3nccc(-c4ccc(Br)cc4)n3)n2n1 2730940 SSPYANWYCRNEKW-UHFFFAOYSA-N 428.315 3.843 0 40 IHAB COc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)cc1 3316083 DTPFPMHRFPLIFR-UHFFFAOYSA-N 440.477 3.520 0 40 IHAB Cc1ccc(NC(=O)CN(C)C(=O)CSc2nnc3cc(C)c4ccccc4n23)cc1 3495870 FKSRMLYQQDFJQW-UHFFFAOYSA-N 433.537 3.689 0 40 IHAB CCc1ccc(CN(C(=O)[C@@H](C)Oc2ccc(C)c(C)c2)[C@H]2CCS(=O)(=O)C2)cc1 5443073 QWKCNUFXNHPOQF-KNQAVFIVSA-N 429.582 3.849 0 40 IHAB COc1ccccc1NC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccc2c(c1)CCC2 9218388 VZJMLOGIMKUSSA-UHFFFAOYSA-N 440.521 3.607 0 40 IHAB COc1ccc(OCC(=O)N2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)cc1 9358879 YEUOGSKZUOYOMQ-UHFFFAOYSA-N 444.531 3.577 0 40 IHAB CC(C)N1CCc2c(sc(NC(=O)c3ccc(Br)s3)c2C(N)=O)C1 9390601 GDXINBUTCAJPLO-UHFFFAOYSA-N 428.377 3.690 0 40 IHAB Cc1ccc(-c2cc(-c3nnc(SCC(=O)Nc4ccc(C)c(C)c4)n3N)[nH]n2)cc1 9451770 XDCDSLLQYAKSDX-UHFFFAOYSA-N 433.541 3.705 0 40 IHAB CNC(=O)NC(=O)[C@H](Sc1nnc(-c2ccccc2F)n1C1CC1)c1ccccc1 9729290 ACEIYHKEFXXJJU-QGZVFWFLSA-N 425.489 3.708 0 40 IHAB Cc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)c1 9974257 XOJCMDYVPVGGPD-HNNXBMFYSA-N 437.359 3.797 0 40 IHAB O=C(Cn1nc(C(F)(F)F)c2c1CCC2)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 12363444 YGSYGSPFZBVCMR-UHFFFAOYSA-N 436.522 3.504 0 40 IHAB COc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)cc1Cl 12733593 WBGGVJIFLVGPHI-GFCCVEGCSA-N 435.354 3.855 0 40 IHAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cccc(N2CCCC2=O)c1 12759587 SBDKRVINWHDHCD-UHFFFAOYSA-N 433.430 3.933 0 40 IHAB C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)N(Cc1ccccc1F)C1CC1 12974348 RZOHSQJVBYYJFK-RUZDIDTESA-N 435.499 3.706 0 40 IHAB Cc1cccc(-c2nnc(SCC(=O)N(C)CC(=O)Nc3ccccc3Cl)n2C)c1 13018252 QAPTVEJKVRJXAM-UHFFFAOYSA-N 443.960 3.633 0 40 IHAB O=C(Cc1csc(SCC(=O)c2ccc3c(c2)OCO3)n1)NCc1cccs1 13654659 HHPUOCTYLNWZPS-UHFFFAOYSA-N 432.548 3.767 0 40 IHAB CCOC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)c1C 13675318 JSLCTMHEHGRMOA-UHFFFAOYSA-N 444.553 3.907 0 40 IHAB CCn1c(CC(=O)Nc2ccccc2F)nnc1S[C@@H](C)C(=O)NC1CCCCC1 13956407 QCBNAUATFLNTBK-AWEZNQCLSA-N 433.553 3.548 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)Cc2ccc3c(c2)CCCC3)c1 14139082 DTULLALPLRUPHC-UHFFFAOYSA-N 430.570 3.786 0 40 IHAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)c3c(C)cc(C)[nH]c3=O)cc2N1 19520727 RWUPGZRYMSJLLC-VNQPRFMTSA-N 437.466 3.863 0 40 IHAB CNC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)c2ccc3c(c2)OCO3)C1 19591555 XBTZYJSZMNBLHF-MHZLTWQESA-N 442.515 3.903 0 40 IHAB COCCNC(=O)c1cc([C@@H]2CCN(C(=O)Cc3ccc(C)c(C)c3)C2)nc2ccccc12 19761828 PMCBPIMNISWPLT-OAQYLSRUSA-N 445.563 3.786 0 40 IHAB C[C@H](NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1)c1ccccc1 20007666 DNWHNNRMRSDFEN-HTAPYJJXSA-N 426.513 3.593 0 40 IHAB CC[C@@H](NC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O)c1ccc(OC)cc1 20043238 YMPIVWGNTZNSKG-GOSISDBHSA-N 428.913 3.521 0 40 IHAB COc1ccc(C)cc1N(CC(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)cc1 22277315 QEBOUCZAYZIXSG-UHFFFAOYSA-N 430.570 3.956 0 40 IHAB COc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)cc1 22509831 INXOCNKWHDPCEL-SIKLNZKXSA-N 444.597 3.547 0 40 IHAB O=C(CNC(=O)COc1ccccc1)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 22878924 UVWVSDLRCGXHRZ-IKKDXCMWSA-N 426.516 3.595 0 40 IHAB CCc1ccc(OCCOC[C@H](O)CN2CCN(c3cc(Cl)ccc3C)CC2)cc1 23224740 FKRNAKKPQOCXAR-JOCHJYFZSA-N 432.992 3.789 0 40 IHAB CCOC(=O)[C@H]1CCCN(C(=O)[C@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)C1 23246942 ACMDDYQGTZVQGX-SUMWQHHRSA-N 429.344 3.550 0 40 IHAB O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCC(c2nnc3ccccn23)CC1 24326427 MEBKVCMSWQXNLD-UHFFFAOYSA-N 449.518 3.997 0 40 IHAB COc1ccc(CNc2nc(CN3CCOCC3)nc3sc4c(c23)CC[C@H](C)C4)cn1 24528637 VXFGWLZWZDHSTN-HNNXBMFYSA-N 439.585 3.664 0 40 IHAB O=C1N[C@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1nc(-c2cccs2)no1 24981711 STHPAUHQDWPKHB-HSZRJFAPSA-N 430.489 3.988 0 40 IHAB COc1ccc(-c2cc3ncn(C[C@H](O)COCc4ccccc4F)c(=O)c3s2)cc1 25067207 CHTRXBMMTQGUQW-KRWDZBQOSA-N 440.496 3.850 0 40 IHAB C[C@H](OC(=O)Cn1cnc2sccc2c1=O)C(=O)Nc1ccccc1-c1ccccc1 25073080 VANQPRLFGDLOQM-HNNXBMFYSA-N 433.489 3.695 0 40 IHAB Cc1cc(C)c(S(=O)(=O)N2CCN(Cc3csc(-c4ccco4)n3)CC2)c(C)c1 29455436 MDRXFNYTTHZZKC-UHFFFAOYSA-N 431.583 3.835 0 40 IHAB COc1ccccc1OCCOc1cccc(/C=c2\sc3nc4ccccc4n3c2=O)c1 32109526 BHPDCXZIFPGCSE-KQWNVCNZSA-N 444.512 3.923 0 40 IHAB O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)N[C@H](c1cccs1)C1CCCC1 32396791 RIOXTLAURNPTFZ-NRFANRHFSA-N 435.567 3.731 0 40 IHAB C[C@@H](NC(=O)c1ccccc1Cl)c1nnc(SCC(=O)NC2CCCCC2)n1C 35214819 YXOPJCJYYAEROW-CYBMUJFWSA-N 435.981 3.501 0 40 IHAB O=C([C@H]1CCCCN1C(=O)c1ccc(Cl)cc1I)N1CCCC1 58202209 ZOZHNFWDPGNOCS-OAHLLOKOSA-N 446.716 3.562 0 40 IHAB CCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nnc1-c1ccc(NC(C)=O)cc1 59099188 ICRXSFYMEMSHGR-UHFFFAOYSA-N 437.525 3.857 0 40 IHAB COc1ccc(OC)c([C@H]2CC(=O)Nc3c(C(=O)O)cn(-c4cc(F)cc(F)c4)c32)c1 61719355 DYCFXMOCIBWVEQ-MRXNPFEDSA-N 428.391 3.945 0 40 IHAB COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@@H]2CCCN2[C@]12C(=O)Nc1ccc(C)cc12 61999531 RAWQGBKYACVZPD-JCEJCQQGSA-N 425.916 3.927 0 40 IHAB biogenic O=C(Nc1nc2ccc(Cl)cc2s1)[C@@H]1CCCN(c2ccc(-n3ccnc3)nn2)C1 62022876 MXEPZBQFCPJUJS-CYBMUJFWSA-N 439.932 3.781 0 40 IHAB Cc1cc2nc(SCC(=O)Nc3cccnc3Cl)n(-c3ccc(F)cc3)c(=O)c2[nH]1 67239400 ILFMZGKAXQHIJR-UHFFFAOYSA-N 443.891 3.941 0 40 IHAB COc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccncc3)no2)cc1 67245174 ZYFSRCQYCHXZQU-UHFFFAOYSA-N 428.495 3.694 0 40 IHAB C[C@@H](CCc1ccccc1)NC(=O)c1cn(-c2ccc(-c3nc(C4CC4)no3)cn2)cn1 71768295 PRPBCQBLKJPJPA-INIZCTEOSA-N 428.496 3.946 0 40 IHAB Cc1ccc(CNC(=O)C2CCN(C(=O)c3ccc([S@](=O)C(C)C)cc3)CC2)cc1F 72294501 GYACFBLHKVVMQX-HKBQPEDESA-N 444.572 3.819 0 40 IHAB COC(=O)[C@H](Cc1c[nH]c2ccc(Br)cc12)NC(=O)[C@H](C)OCCC(C)C 72306762 GIGIIIAJRNJHJJ-UGSOOPFHSA-N 439.350 3.582 0 40 IHAB CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCN1C(=O)Cc1nc(C(C)C)n[nH]1 72370498 XIKLZHNIUNKOLE-HNNXBMFYSA-N 439.585 3.669 0 40 IHAB O=C(NCc1ccc2c(c1)OCO2)C1CN(c2nc3c(C(F)(F)F)cccc3s2)C1 77191769 MKTSNOGSQRAVAR-UHFFFAOYSA-N 435.427 3.796 0 40 IHAB COc1cc(CNC(=O)c2nn(-c3cccc(Br)c3)c3c2CCCC3)ccn1 83923765 ANVDTOULWCMECX-UHFFFAOYSA-N 441.329 3.847 0 40 IHAB Cc1cc(-c2cn(C)nc2[C@H]2CC[C@H](CNC(=O)[C@H]3CC(=O)Nc4ccccc43)CC2)on1 100744077 WAEWGWVLHCGKHF-SCTDSRPQSA-N 447.539 3.900 0 40 IHAB O=C1[C@H]2CC=CC[C@@H]2C(=O)N1CC(=O)N(CCc1ccccc1)c1nc2ccccc2s1 101096822 FEOUEXFRUUPYKT-OALUTQOASA-N 445.544 3.823 0 40 IHAB Cc1ccccc1N1C(=O)NC(=O)/C(=C(\NCc2ccccc2)Nc2ccccc2)C1=O 101382560 LWZIZMDJKDPMEC-DQRAZIAOSA-N 426.476 3.691 0 40 IHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 216324250 QXVYOCLZBIUNQY-QGZVFWFLSA-N 435.502 3.879 0 40 IHAB CC[C@H](C(=O)N[C@H](C)COc1ccccc1C)N(c1cc(C)ccc1C)S(C)(=O)=O 220555237 SYVULYODYLUGFJ-WOJBJXKFSA-N 432.586 3.740 0 40 IHAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1C 222837576 SXUVBHQOVWMEKJ-XMMPIXPASA-N 446.547 3.769 0 40 IHAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(C(=O)O)cc2C)o1 223030227 CQNGYFFTBUQYCN-SFTDATJTSA-N 437.521 3.967 0 40 IHAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2C2CCCC2)N1CCCN1CCOCC1 223178517 VCGFUCVAIFGXML-GOTSBHOMSA-N 439.629 3.693 0 40 IHAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NCc3ccccc3C)cc2)cc1 224438180 RDDTVGLILRLGHU-UHFFFAOYSA-N 438.549 3.754 0 40 IHAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1F 224939473 OAKIAXVZYZQDIV-OAQYLSRUSA-N 430.520 3.793 0 40 IHAB COc1cc2c(cc1S(=O)(=O)N(C)Cc1nc(-c3cccc(C)c3)no1)CCCC2 225016734 MDFMGVDSSRATNA-UHFFFAOYSA-N 427.526 3.753 0 40 IHAB CCOc1ncccc1C(=O)N1CCC(c2cc(C(=O)Nc3ccccc3F)[nH]n2)CC1 225562435 IZXTXBHICMQICK-UHFFFAOYSA-N 437.475 3.615 0 40 IHAB COc1ccc(OCC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NCC(C)C)cc1 225658048 MJCWWNRZVPLSNG-QGZVFWFLSA-N 432.948 3.917 0 40 IHAB CCSc1nnc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)s1 225720561 CODOQPPZCYWBCP-UHFFFAOYSA-N 448.595 3.793 0 40 IHAB CCN(CC(=O)N(C)c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Br)cc1 226054595 UOKVNLFZKDGFSD-UHFFFAOYSA-N 439.375 3.740 0 40 IHAB CCOc1ccccc1-c1cc(C(=O)N2[C@@H]3CN(C(C)=O)[C@@H]4CCCC[C@H]2[C@]4(C)C3)[nH]n1 257211735 CAESMPMODKDGDU-YMACDFMISA-N 436.556 3.870 0 40 IHAB COc1ccc([C@@H]2C[C@]3(C)NC(=O)CCC[C@@H]3N2CC(=O)Nc2ccc(C)c(F)c2)cc1 257234897 GVMYZRPXOJQAMS-HWBMXIPRSA-N 439.531 3.956 0 40 IHAB Cc1cc(CN2CCc3nc(N4CCC[C@@H](C)C4)nc(O)c3C2)c(C)n1C[C@H]1CCCO1 257240756 HVBOCUMJMIUQOW-DYESRHJHSA-N 439.604 3.574 0 40 IHAB COc1ccccc1[C@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1cccs1 257309593 UBNBVVYQBFXARG-MRXNPFEDSA-N 438.571 3.739 0 40 IHAB CC(C)Oc1cccc(N(CCCC(=O)NC[C@H](C)c2ccccc2)S(C)(=O)=O)c1 260842564 CHEKDJOILDLEAQ-IBGZPJMESA-N 432.586 3.940 0 40 IHAB O=C(Nc1ccccc1C(=O)NCCCN1CCOCC1)c1ccc(Cl)cc1Cl 408616557 ZMGOZBMKYOSMCT-UHFFFAOYSA-N 436.339 3.698 0 40 IHAB CCCOC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccccc2)cc1 408664061 JADAWHBBXIYTPO-UHFFFAOYSA-N 426.469 3.544 0 40 IHAB CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(Br)c1OC 409198879 MGLINIFHBJMTGK-MHWRWJLKSA-N 431.286 3.949 0 40 IHAB O=C(CC1(CC(=O)NC[C@H]2Cc3ccccc3O2)CCCC1)NC[C@H]1Cc2ccccc2O1 560841383 XGTRDCAFPIFCOZ-FGZHOGPDSA-N 448.563 3.567 0 40 IHAB Cc1cc(C)cc(S(=O)(=O)N2CCC3(CC2)OCC[C@@H]3CCOCc2ccccn2)c1 575402684 FINMOUXIONWSSG-NRFANRHFSA-N 444.597 3.865 0 40 IHAB COc1ccc(CC(=O)N2CCOCCOc3ccccc3Oc3ncccc3C2)cc1 643573891 PIJUXDRIXGFLII-UHFFFAOYSA-N 434.492 3.863 0 40 IHAB Cc1cc2ccccc2n2c(SCC(=O)Nc3ccccc3N3CCOCC3)nnc12 1223224 KMXLUFLMXWOWQI-UHFFFAOYSA-N 433.537 3.758 0 40 IHAB COc1cccc(N(C(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c2nc3ccccc3s2)c1 102305727 GDKOTNQVBOOKBC-ROUUACIJSA-N 447.516 3.921 0 40 IHAB O=S1(=O)CC[C@@H](Cc2nnc(SCc3ncc(-c4ccc(Cl)cc4)o3)o2)C1 21624749 FKPBDNVBAXVVCY-NSHDSACASA-N 425.919 3.648 0 40 IHAB CCCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(CNC(C)=O)s1 33048539 AXMFJCRSGKMQGG-UHFFFAOYSA-N 436.477 3.993 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NC1CC1)c1cc(Cl)cc(Cl)c1 10300387 CWQKDDXBBHAAAO-UHFFFAOYSA-N 443.352 3.784 0 40 IHAB CCOc1ccc2c(c1)SC1=N[C@](C(=O)OC)(C(F)(F)F)N=C(N3CCCCC3)N12 12412266 AMYNJSJLZPHWAV-GOSISDBHSA-N 442.463 3.641 0 40 IHAB CCn1c(SCC(=O)NCc2ccc(OC)cc2)nc2c(-c3ccccc3)c[nH]c2c1=O 23119163 IEVAFBNFQLPOAL-UHFFFAOYSA-N 448.548 3.829 0 40 IHAB Cc1sc2nc(CN3CCOCC3)nc(N[C@H](CN(C)C)c3ccccc3)c2c1C 23936930 TXWAGWFRAIUVLI-LJQANCHMSA-N 425.602 3.855 0 40 IHAB CCOC(=O)c1ccc(N2C(=O)[C@H]3ON(c4ccccc4C)[C@H](c4ccco4)[C@H]3C2=O)cc1 100799330 KRTFUMFAYMRUBY-VSKRKVRLSA-N 446.459 3.816 0 40 IHAB COc1ccc(C2=NN(C(=O)CCCC(=O)O)[C@H](c3ccc(OC)cc3OC)C2)cc1 106100155 IPVWMXRZGVMOSG-FQEVSTJZSA-N 426.469 3.645 0 40 IHAB CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)COc3c(C)cccc3C)cc2)s1 54360567 USCVIHGZTUXDBT-UHFFFAOYSA-N 446.554 3.536 0 40 IHAB CC(=O)CCc1ccc(OC[C@@H](O)CN2CCN(c3cc(Cl)ccc3C)CC2)cc1 25638265 SDIARYLNUJEAQG-QFIPXVFZSA-N 430.976 3.732 0 40 IHAB Cc1ccc(CCCNC(=O)C2CCN(S(=O)(=O)Cc3cccc(C)c3)CC2)cc1 22511932 IEDWFPYAUYEHQM-UHFFFAOYSA-N 428.598 3.594 0 40 IHAB Cc1ccccc1-n1c(=O)c2sccc2n(CC(=O)Nc2nc3ccccc3s2)c1=O 57489901 XECRMIKYQTXFGO-UHFFFAOYSA-N 448.529 3.771 0 40 IHAB CN1CCCN(c2ccc(CNC(=O)CCCc3ncc(-c4ccccc4)o3)cn2)CC1 58157731 DNSSNDJCBDPTQD-UHFFFAOYSA-N 433.556 3.518 0 40 IHAB CCCn1c(=O)c2ccccc2n2c(SCC(=O)NCc3ccc(Cl)cc3)nnc12 3375672 CFEAPFSVDQCTDJ-UHFFFAOYSA-N 441.944 3.516 0 40 IHAB COc1ccc(/C=C2\N=C(c3ccccc3)N(NC(=O)c3ccoc3C)C2=O)cc1OC 24543340 BSQZCWNSFRYJHU-UYRXBGFRSA-N 431.448 3.580 0 40 IHAB COc1cc2c(cc1OC)CN([C@@H]1CC(=O)N(c3ccc(Cl)cc3Cl)C1=O)CC2 22609283 HMLYDOAYPVFHRL-QGZVFWFLSA-N 435.307 3.701 0 40 IHAB CCOc1ccc(N(CC(=O)N(C)C2CCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 20035825 XPVVGZLJASPSGU-UHFFFAOYSA-N 430.570 3.990 0 40 IHAB NC(=O)CCCCCn1c(SCC(=O)c2ccc(F)c(F)c2)nc2ccccc2c1=O 10606269 PBKOUDNLKBAUEN-UHFFFAOYSA-N 445.491 3.695 0 40 IHAB CN(CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)Cc1nc2ccccc2c(=O)[nH]1 36383726 WAYRSRHNWGAKSL-UHFFFAOYSA-N 436.899 3.585 0 40 IHAB CCN(CC)[C@@H](CNC(=O)[C@@H](C)NC(=O)c1ccc(Br)cc1)c1ccccc1 12737677 WEZVASVLRIONIU-UZLBHIALSA-N 446.389 3.767 0 40 IHAB CC(C)N1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)Nc1ccc(OC(F)F)cc1 12861061 LNAVKDWLKRQREV-QFIPXVFZSA-N 429.423 3.614 0 40 IHAB COc1cccc(C(=O)Nc2nnc(S(=O)(=O)N(CC(C)C)c3ccccc3)s2)c1 20486618 NXPBDVUVIFRNSJ-UHFFFAOYSA-N 446.554 3.650 0 40 IHAB COc1cccc([C@@H](CNC(=O)CCc2nc(-c3ccc(C)cc3)no2)N2CCCC2)c1 12911995 RHGJHZJSIFVCMF-JOCHJYFZSA-N 434.540 3.940 0 40 IHAB CS(=O)(=O)c1ccc(NC(=O)CN2CCc3sccc3[C@H]2c2ccccc2)cc1 12928216 RMADAFMEYNTSNJ-JOCHJYFZSA-N 426.563 3.738 0 40 IHAB C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NCCSc2ccccc2)C1=O 8718624 OMQODYDBSIEJBE-XMMPIXPASA-N 433.533 3.515 0 40 IHAB O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccc(N2CCOCC2)cc1)c1ccccc1 9647720 KGFAHPZMKNUHLQ-XMMPIXPASA-N 429.520 3.503 0 40 IHAB C[C@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(CC(=O)c2ccc(-c3ccccc3)cc2)C1=O 8825667 XFWPBMCZXVOMON-AREMUKBSSA-N 442.471 3.818 0 40 IHAB CCc1ccc(O[C@@](NC(=O)Nc2ccc(OC)cc2)(C(=O)OC)C(F)(F)F)cc1 4208088 COCSIRQVPLALSV-IBGZPJMESA-N 426.391 3.890 0 40 IHAB Cc1ccccc1NC(=O)COC(=O)CCCC(=O)Nc1ccc(C(=O)OC(C)C)cc1 408664849 KVJABRXJRUWFER-UHFFFAOYSA-N 440.496 3.851 0 40 IHAB COc1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1S(=O)(=O)N(C)C 13844999 AHBXKCTWGDFLTO-UHFFFAOYSA-N 438.549 3.788 0 40 IHAB COc1cccc(NC(=O)CN(C)CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)c1 14198226 LFWUJIJIIUQXGZ-UHFFFAOYSA-N 449.555 3.687 0 40 IHAB O=C(Nc1ccccc1C(=O)NC1CC1)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O 26990953 PGBVGNNWUFVVMF-UHFFFAOYSA-N 439.471 3.627 0 40 IHAB Cc1ccc(C(=O)[C@H](C)OC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 9590946 RRJVFNWSEJPLLR-HOCLYGCPSA-N 430.298 3.925 0 40 IHAB CCc1nnc2n1N[C@H](c1ccc(Cl)cc1)[C@H](C(=O)Nc1cccc(OC)c1)S2 9198050 PKDJUGJAEZEFDX-QZTJIDSGSA-N 429.933 3.900 0 40 IHAB COc1ccc(CCNC(=O)COC(=O)C2(c3ccc(F)cc3)CCCC2)cc1OC 9129357 PJAVAWHHDRCFCD-UHFFFAOYSA-N 429.488 3.557 0 40 IHAB COc1ccc(C(=O)N[C@H](C(=O)NCC2(N3CCCCC3)CCCCC2)C(C)C)cc1 6942271 TVKAGLBOJOYIEV-QFIPXVFZSA-N 429.605 3.755 0 40 IHAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2 15310219 GRIWLCJIIVCHKX-FXAWDEMLSA-N 435.524 3.749 0 40 IHAB CCN(Cc1ccc2c(c1)OCO2)C(=O)CSc1nnc(-c2cccnc2)n1C1CC1 9216813 PLJXCAFWRPMCAR-UHFFFAOYSA-N 437.525 3.545 0 40 IHAB CC(C)N(C(=O)[C@@H](C)OC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3)C(C)C 7522384 UPYDVJVVFNNQCC-QGZVFWFLSA-N 427.545 3.704 0 40 IHAB CC(C)[C@H](NC(=O)c1cccs1)C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 9415126 MVKBMTSJJSDPIQ-SFHVURJKSA-N 444.582 3.588 0 40 IHAB Cc1nc(NC(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)c(Cl)cc1Cl 9789008 YIKQHGNFWJOZGL-DGIBIBHMSA-N 427.332 3.772 0 40 IHAB COc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)N[C@H]2CC[S@@](=O)C2)cc1 98056160 KWBFVGXIFNPXDT-UZQJYFQHSA-N 432.545 3.981 0 40 IHAB CCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(C)cc3)nc2O)cc1 9939080 GIHVLXOOOSEKTA-UHFFFAOYSA-N 443.550 3.617 0 40 IHAB O=C(CSc1cnc2ccccc2n1)OCc1cc(=O)n2c(n1)sc1ccccc12 24714592 SQIQDSMSTRKJMB-UHFFFAOYSA-N 434.502 3.688 0 40 IHAB CSc1nc2cc(C)n(CC(=O)NCCCc3ccccc3)c2c(=O)n1CC(C)C 67320038 WOPZXQUMLIIYBN-UHFFFAOYSA-N 426.586 3.633 0 40 IHAB Cc1cc(Br)ccc1NC(=O)COC(=O)CCCC(=O)NC1CCCCC1 408643999 DBXRRUCPSFFJBX-UHFFFAOYSA-N 439.350 3.858 0 40 IHAB COc1ccc([C@H]2CC(=O)c3cc(C(=O)Nc4cc(OC)cc(OC)c4)c(=O)[nH]c3C2)cc1 64775537 ZKYSVJUEPXKAJC-OAHLLOKOSA-N 448.475 3.566 0 40 IHAB COc1ccc(Cl)cc1NC(=O)COc1ccc(S(=O)(=O)NCC(C)C)cc1C 409387121 NTXSOKTXQZWIQM-UHFFFAOYSA-N 440.949 3.609 0 40 IHAB CNc1nc([C@H]2CCCN2CC(=O)Nc2ccccc2-c2ccccc2)nc2c1CNCC2 72372365 ONWYIKKOUDRVMB-HSZRJFAPSA-N 442.567 3.607 0 40 IHAB C[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 32858146 GLRWVXIMYKMHTA-CQSZACIVSA-N 439.493 3.835 0 40 IHAB Cc1ccc(-n2nc(C(=O)N[C@@H](CO)Cc3c[nH]c4ccccc34)c3c2CCC3)c(F)c1 536205560 SOKKTEQSAIGCTD-QGZVFWFLSA-N 432.499 3.623 0 40 IHAB CCOc1ccc([C@@H](C)NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1OCC 38753565 SGZUQDRVTQWDME-MRXNPFEDSA-N 432.542 3.650 0 40 IHAB COc1ccc(S(=O)(=O)NCC2CCN(c3nc4ccccc4s3)CC2)c(C)c1 70923634 FOINFXYFNBMQRH-UHFFFAOYSA-N 431.583 3.808 0 40 IHAB CC[C@@H](C(=O)N[C@H](C)COc1ccccc1C)N(c1cc(C)ccc1C)S(C)(=O)=O 220555168 SYVULYODYLUGFJ-UXHICEINSA-N 432.586 3.740 0 40 IHAB CCCc1c(NCc2nnc3n(C)c(=O)c4ccccc4n23)cnn1-c1ccccc1C 563934680 KBPUYATYUUIQFY-UHFFFAOYSA-N 427.512 3.640 0 40 IHAB CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCc1ccc2c(c1)OCCO2 225450419 YMXATFSUEVIGFH-QFIPXVFZSA-N 438.568 3.767 0 40 IHAB Cc1ccc(C(=O)NCCOc2cccc3ccccc23)cc1S(=O)(=O)N1CCCC1 223532254 ZGSYHSDFOVRMIE-UHFFFAOYSA-N 438.549 3.742 0 40 IHAB CCc1ccc(CC)c(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)c1 225458163 NEYLZAGAQNGHEG-HXUWFJFHSA-N 444.597 3.537 0 40 IHAB O=C(COc1ccc(Cl)cc1Cl)NCCNc1ccc(Nc2ccncc2)nn1 49343648 PKAZBKGZWPEDNA-UHFFFAOYSA-N 433.299 3.529 0 40 IHAB C[C@@H](COc1ccccc1)NC(=O)c1ccc(CN(C)S(=O)(=O)c2ccccc2)cc1 224417749 AFPLYAYMLNACLH-IBGZPJMESA-N 438.549 3.705 0 40 IHAB COc1ccc([C@@H](CC(C)C)NS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)cc1 225015816 MCMCLWHMUWNWIE-OAHLLOKOSA-N 440.591 3.597 0 40 IHAB Cc1ccc(OCCNC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)cc1Cl 224131006 LIEADRZZFVYMAB-UHFFFAOYSA-N 445.368 3.571 0 40 IHAB CC[C@H](NS(=O)(=O)c1ccc(OC)c(C(=O)NC(C)C)c1)c1ccc(OC)c(C)c1 225102031 OXGCCQCOMPCDTK-IBGZPJMESA-N 434.558 3.580 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(F)c3)cc2)cc1OC 223990616 FIWCEZPKAILUEV-UHFFFAOYSA-N 430.457 3.896 0 40 IHAB COC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)c1 224086213 OCWFBTWONSMKMG-UHFFFAOYSA-N 428.919 3.608 0 40 IHAB O=C(NCc1ccc(F)cc1)N1CCC(Cn2nc(-c3ccc(F)cc3)ccc2=O)CC1 606440886 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O=C(CN1CCc2nc(NC(=O)c3ccoc3)sc2C1)Nc1nc2ccccc2s1 96024335 HCUPGDZUVBBXTN-UHFFFAOYSA-N 439.522 3.595 0 40 IHAB OC1(COc2ccc(F)cc2)CCN(Cc2ccc(OCCCn3cccn3)cc2)CC1 585272457 IVFSGABQMAQUML-UHFFFAOYSA-N 439.531 3.897 0 40 IHAB CCOc1cc(CN2CCC[C@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)ccc1OC 72394299 DRGPEPBAHFTARI-INIZCTEOSA-N 438.977 3.925 0 40 IHAB CC(=O)N1CCC(N2CCC3(CC2)C[C@H](Cc2cccc(F)c2)N(CC(C)C)C3=O)CC1 1615155097 ODUCTVYGSZEVQN-DEOSSOPVSA-N 443.607 3.718 0 40 IHAB Cc1ccc(-c2cc(C(=O)OCC(=O)NCCc3ccc(OC(F)F)cc3)[nH]n2)cc1 11494541 NJSQICPEJUUOAA-UHFFFAOYSA-N 429.423 3.502 0 40 IHAB CCOC(=O)[C@]1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCCN(C(=O)c2cccnc2)C1 12156771 YBJMGVQZGIFEOP-YKSBVNFPSA-N 439.487 3.590 0 40 IHAB O=C(C[C@@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21)NCCC1=CCCCC1 12233003 BLRMLKMWDMGLNQ-GOSISDBHSA-N 435.553 3.626 0 40 IHAB CCOc1ccc(CCC(=O)N2CCC(c3nc(O)cc(-c4ccccn4)n3)CC2)cc1 12256481 ZIQZVDDKHOKFHK-UHFFFAOYSA-N 432.524 3.982 0 40 IHAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)OCc1nc2sc3c(c2c(=O)[nH]1)CCC3 12675517 CGSNCCSGLYLRFU-UHFFFAOYSA-N 440.912 3.978 0 40 IHAB Cc1cccc(NC(=O)CN(C)C(=O)c2ccc3c(c2)C(=O)N(CCC(C)C)C3=O)c1C 12937008 HPIJIFYFMNXUFC-UHFFFAOYSA-N 435.524 3.656 0 40 IHAB CCCNC(=O)c1ccccc1NC(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 14397457 FMJJIRCPZXDNFW-UHFFFAOYSA-N 445.585 3.628 0 40 IHAB C[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1 15621255 XMTSZRIKXQCDQS-GFCCVEGCSA-N 445.766 3.600 0 40 IHAB O=C(c1cc(Cl)ccc1F)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 17051678 ICJMYCDTEVDHAA-UHFFFAOYSA-N 432.904 3.779 0 40 IHAB CC(C)N1CCc2nc3cc(C4CCN(C(=O)[C@H](C)c5ccccc5)CC4)nn3c(O)c2C1 19448119 FTSODQDPMRQUOL-GOSISDBHSA-N 447.583 3.711 0 40 IHAB COc1ccc(CCCC(=O)N2CCC[C@@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)c(C)c1 19570553 IFSUWPUSSIVZAB-YZGWKJHDSA-N 447.530 3.847 0 40 IHAB CNC(=O)[C@]1(Cc2ccc(-c3ccc(OC)cc3)cc2)CCCN(Cc2cnn(C)c2)C1 19591355 OLNRIIRBVUHAOV-SANMLTNESA-N 432.568 3.667 0 40 IHAB CNc1cc([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc(CN(C)CCc2ccccc2)n1 19700955 HDOUTHWIFJNDBM-JOCHJYFZSA-N 429.568 3.709 0 40 IHAB CNC(=O)[C@]1(Cc2cc(-c3ccccc3C)no2)CCN(C(=O)c2ccc(COC)cc2)C1 19703573 JBGNXMMKEUXFAA-SANMLTNESA-N 447.535 3.617 0 40 IHAB CNc1nc([C@H]2CCCCN2C(=O)C(C)(C)c2cccc(F)c2)nc2c1CN(C)CC2 19710358 YUBBTBISCSOENH-HXUWFJFHSA-N 425.552 3.677 0 40 IHAB CNc1nc([C@@H]2CCCCN2C(C)=O)nc2c1CN(Cc1ccc3ncccc3c1)CC2 19710379 RSMBKBXUCLYVDI-QHCPKHFHSA-N 430.556 3.698 0 40 IHAB Cc1nc([C@H]2CCCN(Cc3ccncc3)C2)nc2c1CCCN2CCc1ccccn1 19752940 SJMOVSWEDYBAOV-QFIPXVFZSA-N 428.584 3.950 0 40 IHAB Cc1nc([C@@H]2CCCN2CC(=O)Nc2ccc(F)cc2)ncc1C(=O)Nc1ccccc1 19753285 YWAXJNVOIQCTQJ-NRFANRHFSA-N 433.487 3.952 0 40 IHAB CCC(=O)N1CCC2(CCCCOC[C@@H]3CCCN3C(=O)c3ccccc3OC2)CC1 643564957 PEAVSDZOIXEUEC-FQEVSTJZSA-N 428.573 3.889 0 40 IHAB COc1ccccc1N1CCN(C(=O)Cc2csc3nc(-c4ccccc4)cn23)CC1 10740837 LGIJJUCSVTZZRD-UHFFFAOYSA-N 432.549 3.963 0 40 IHAB CC(=O)c1ccc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(Cl)s2)cc1 10812434 OFIROHSEXZJQRC-OAHLLOKOSA-N 426.947 3.786 0 40 IHAB O=C(Cc1csc(SCC(=O)c2ccccc2)n1)NCc1ccc2c(c1)OCO2 13654175 PZXDCTZZJIZVBS-UHFFFAOYSA-N 426.519 3.706 0 40 IHAB O=C(CCCCn1c(=O)c2ccccc2n(Cc2ccccc2)c1=O)NCc1cccs1 16840265 YWDYUBHFTDLHBM-UHFFFAOYSA-N 447.560 3.760 0 40 IHAB Cc1sc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)c(C(N)=O)c1C 9714766 WNVKWUBRWPFUIZ-UHFFFAOYSA-N 429.523 3.517 0 40 IHAB CC(=O)c1cccc(NC(=O)Cc2csc(Nc3ccc(S(C)(=O)=O)cc3)n2)c1 16850434 BURVPWKNKPUGGL-UHFFFAOYSA-N 429.523 3.674 0 40 IHAB CCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccc(OC)cc5)no4)ccn3n2)cc1 16842334 MYXAMQWGAPAEDR-UHFFFAOYSA-N 427.464 3.832 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)Nc3nc(-c4ccc(C)cc4)nn32)cc1 31816619 ZPMYLTGHPXBXFA-LJQANCHMSA-N 447.495 3.732 0 40 IHAB Cn1c(Oc2ccccc2Cl)nc2c1c(=O)n(Cc1ccccc1Cl)c(=O)n2C 851615 JLAXYYCHFBHPRJ-UHFFFAOYSA-N 431.279 3.581 0 40 IHAB Cc1cc(C)nc(SC2=C(NCc3ccccc3)C(=O)N(Cc3ccccc3)C2=O)n1 959889 QNWTWKLFWNMPSZ-UHFFFAOYSA-N 430.533 3.756 0 40 IHAB O=C(O)[C@@H]1CCCC[C@@H]1C(=O)N1CCN(c2nc(-c3ccccc3)c3ccccc3n2)CC1 1471102 OKRPGRKUIHZNFX-VQTJNVASSA-N 444.535 3.836 0 40 IHAB CCSc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 1731697 RBYMBFVKGIFJKT-KRWDZBQOSA-N 429.538 3.975 0 40 IHAB CC[C@H]1SC2=NC(C)=C(C(=O)OCC(C)C)[C@H](c3ccc(OC)c(OC)c3)N2C1=O 2249884 CYGSIFGDUIMDIJ-MJGOQNOKSA-N 432.542 3.942 0 40 IHAB CC(=O)c1cc(Br)cc(Br)c1OCC(=O)NCc1ccco1 3412408 JCVSWLZMCJTMDZ-UHFFFAOYSA-N 431.080 3.702 0 40 IHAB O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1)c1ccccc1 3482012 ZPTAWOPXDUXRDB-UHFFFAOYSA-N 443.908 3.858 0 40 IHAB CCc1ccc(CN(C(=O)COc2ccc(C(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 4183210 UZRHKYIRIYCFOW-JOCHJYFZSA-N 429.582 3.967 0 40 IHAB CC(C)(C)NC(=O)[C@@H](c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1ccc(F)cc1 6074658 INIMQDIWKDVHQU-JOCHJYFZSA-N 449.486 3.853 0 40 IHAB Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)c1 8709578 ASUQGQAOIYIFEM-QGZVFWFLSA-N 447.568 3.743 0 40 IHAB CCC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2ccc(C)c(Cl)c2)CC1 8831669 HLFMOGMUSNRYCU-UHFFFAOYSA-N 444.988 3.834 0 40 IHAB Cc1csc(CC(=O)N2CCN(C(=O)c3cccc(OCc4ccccc4)c3)CC2)n1 9054208 FTBUDMNGAVUPDH-UHFFFAOYSA-N 435.549 3.558 0 40 IHAB Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]2[C@H]2CCCN21 9318260 LKCKDRMAWUHSIF-ANAFOTAVSA-N 437.499 3.579 0 40 IHAB COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)N[C@H](C)c2ccccn2)c1 9467696 RARQNNWFFDECOR-QGZVFWFLSA-N 439.537 3.715 0 40 IHAB O=C(Nc1ccc(Cl)cc1)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 9509529 AKBBRPVOKXOHGW-OAHLLOKOSA-N 429.325 3.703 0 40 IHAB Cc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(C(C)C)cc4)C(=O)[C@H]32)c(Cl)c1 9837310 PEVLPDUMASZYMB-UXHICEINSA-N 439.903 3.704 0 40 IHAB O=C(Nc1ccc(F)c(F)c1)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 10009394 PQLCYYXATZJRBX-NRFANRHFSA-N 444.459 3.701 0 40 IHAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 10905075 CHHVEQTWTIULGA-HXUWFJFHSA-N 426.561 3.812 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](c3ccc(C)cc3)C3CC3)CC2)cc1 11234662 YGGGLTJEGIPWFH-HSZRJFAPSA-N 442.581 3.672 0 40 IHAB CC(C)C(=O)N1CCC(C[C@@H]2CC(c3ccccc3)=NO2)(C(=O)NC2CCCC2)CC1 12182223 OOLKJHQOEPFUBA-NRFANRHFSA-N 425.573 3.893 0 40 IHAB COCCn1c(SCc2ccccc2C)nc2cc(C(=O)NC(C)C)ccc2c1=O 12415109 IKPTWPMTENPVLF-UHFFFAOYSA-N 425.554 3.782 0 40 IHAB CCn1c(SCC(=O)OCC(=O)C23CC4CC(CC(C4)C2)C3)nnc1-c1ccco1 13072323 QKLNJFVMZZFWGD-UHFFFAOYSA-N 429.542 3.979 0 40 IHAB O=C(/C=C/c1cc2c(cc1Br)OCO2)N1CCN(Cc2ccccc2)CC1 13398733 VLWMEBWOHHKNCM-VOTSOKGWSA-N 429.314 3.535 0 40 IHAB COCc1nn2c3c(nnc2c1-c1ccccc1)C(=O)C[C@H](c1ccc(OC)cc1OC)C3 13639377 BDPVPQIYNZLTAX-MRXNPFEDSA-N 444.491 3.868 0 40 IHAB COC(=O)Nc1nc2cc([C@]3(O)c4ccccc4C(=O)N3Cc3ccccc3)ccc2[nH]1 13986567 XIASUMPJIFQSHT-DEOSSOPVSA-N 428.448 3.591 0 40 IHAB Cc1ccc(-n2nc(C)c(NC(=O)CSc3nnc(-c4ccncc4)n3C)c2C)cc1 14161062 AHMWJCIOIWTYPI-UHFFFAOYSA-N 433.541 3.719 0 40 IHAB CCOc1ccc(N2C[C@@H](C(=O)NCc3ccc(CN4CCCCC4)cc3)CC2=O)cc1 15614169 FIPIXHLHJSDSRO-QFIPXVFZSA-N 435.568 3.741 0 40 IHAB COc1ccc(CCCc2nnc(SCc3nc4ccccc4c(=O)[nH]3)n2C)cc1C 17750443 VTXLBEATSZWMNE-UHFFFAOYSA-N 435.553 3.836 0 40 IHAB CC(C)[C@H]1CN(Cc2ccccc2F)CCN1C(=O)[C@H](C)c1n[nH]c(=O)c2ccccc12 19451461 RQOLZHUWCDDPHD-VGOFRKELSA-N 436.531 3.535 0 40 IHAB CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)c3ccn(C)c(=O)c3)cc2n1 19452328 DEOPJNPRPDTOGC-INIZCTEOSA-N 433.434 3.548 0 40 IHAB Cc1ncsc1-c1nnc([C@H]2CCCCN2S(=O)(=O)c2ccc(F)c(F)c2)o1 19562714 UGFCSEINVLQDKT-CQSZACIVSA-N 426.470 3.696 0 40 IHAB Cc1nonc1CC(=O)N1CCC[C@H](c2nc(N(C)C)ncc2-c2ccc(Cl)cc2)C1 19693911 QDCQEMQWBHEMCK-INIZCTEOSA-N 440.935 3.503 0 40 IHAB O=C(c1sc2ncccc2c1[C@H]1CN(CC2CCCCC2)CCO1)N1CCOCC1 19703186 NDGSMZCLPGXWHB-LJQANCHMSA-N 429.586 3.722 0 40 IHAB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)c(C(F)(F)F)c2)c(C)c1 20022219 XMOODIALORFZJD-UHFFFAOYSA-N 448.438 3.859 0 40 IHAB O=C(CSc1nnc(N2CCN(c3ccc(F)cc3)CC2)s1)Nc1ccccc1F 23139800 DJVBZFWWHCBDPU-UHFFFAOYSA-N 447.536 3.874 0 40 IHAB COc1cc(C(=O)Nc2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)cc(OC)c1OC 26003307 ORERVCODLVSHRG-UHFFFAOYSA-N 449.529 3.714 0 40 IHAB CN1CCN(C(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)[C@@H](c2ccccc2)C1 26938388 FJJKYRYDZXRSGV-XMMPIXPASA-N 439.515 3.612 0 40 IHAB O=C(CN1CCN(c2ncccn2)CC1)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 29118273 YCODQMUNTRALDA-UHFFFAOYSA-N 449.367 3.668 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC=C(c4ccccc4)CC3)C2)s1 30997069 GLQXULDPJBUYMA-HXUWFJFHSA-N 430.595 3.773 0 40 IHAB Cc1cc(I)cc(C)c1NC(=O)COC(=O)c1ccccc1F 32124912 PWNUIKFLMVIIBL-UHFFFAOYSA-N 427.213 3.843 0 40 IHAB O=S1(=O)C[C@@H]2N=C(SCc3ccccc3Cl)N(c3ccc(F)cc3F)[C@H]2C1 32640478 MMQVPQWVJQXAQN-RDJZCZTQSA-N 428.913 3.893 0 40 IHAB O=C(CCc1nnc(-c2ccccc2)o1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 32769029 SZJKPFRPVJAVNR-UHFFFAOYSA-N 445.445 3.822 0 40 IHAB COc1ccc(CNC(=O)[C@@H](C)Sc2nnc3ccc(C(F)(F)F)cn23)cc1OC 32899845 HFQOHWCFCRSFHA-LLVKDONJSA-N 440.447 3.562 0 40 IHAB Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)CCCc3nc(-c4cccs4)no3)C2)nc1 40145927 NIFFSWNJRTXPDG-INIZCTEOSA-N 439.541 3.702 0 40 IHAB COc1ccc2c(c1)CCN=C2C[C@H]1CN(C(=O)c2cccc(F)c2)CC[C@H]1CC(=O)O 49590453 VFNFXMXMCAZAAS-LPHOPBHVSA-N 438.499 3.823 0 40 IHAB biogenic,in-vitro CC(C)N1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)OCc1c(F)cccc1Cl 57947762 FXZUJRUWVARMNW-JOCHJYFZSA-N 430.863 3.910 0 40 IHAB COC(=O)N1CCC(NC(=O)N(C)Cc2cc(C)c(OCC(F)(F)F)c(C)c2)CC1 58167091 UVOZKQNKUYJUBE-UHFFFAOYSA-N 431.455 3.617 0 40 IHAB NC(=O)CSc1ccccc1NC(=O)CNC1(c2cccc(Br)c2)CCC1 58178059 GBTQEKLXGPCVPI-UHFFFAOYSA-N 448.386 3.634 0 40 IHAB COc1ccc(CC[C@@H]2CCCCN2C(=O)Nc2ccc(-n3cncn3)nc2)cc1OC 58328357 BALSLWLTGBRQEL-IBGZPJMESA-N 436.516 3.699 0 40 IHAB COc1ccccc1C(=O)N[C@H](C(=O)N(C)Cc1c(C)nn(-c2ccccc2)c1C)C(C)C 69713546 FVWLMYFLTBDHOS-DEOSSOPVSA-N 448.567 3.911 0 40 IHAB O=C(C[C@H](CN1CCN(C/C=C/c2ccccc2)CC1)C(=O)O)Nc1ccc(Cl)cc1 71279566 DXFXUJLNSHCZDV-WWPOYFSUSA-N 441.959 3.700 0 40 IHAB O=C(NC1CCN(C(=O)Cc2csc(Cc3ccccc3)n2)CC1)C1CCCCC1 71839219 NKFLFVHJRSFJHC-UHFFFAOYSA-N 425.598 3.964 0 40 IHAB CN(c1ccccc1)C1CCN(C(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)CC1 72272775 KDSSDILUGZGSER-UHFFFAOYSA-N 438.549 3.995 0 40 IHAB Cc1nc(C2CCN(C(=O)[C@@H]3CCCO3)CC2)nc2c1CCCN2Cc1ccc(F)cc1 72373863 KZBCXWLMSYZMKQ-QFIPXVFZSA-N 438.547 3.762 0 40 IHAB CCc1nnc(Nc2cncc([C@@H]3CCCN3Cc3c(OC)cccc3OC)n2)s1 72376345 YYDVQIRIDPPJDD-INIZCTEOSA-N 426.546 3.988 0 40 IHAB COc1cccc([C@@H](C)CC(=O)N2CCN([C@@H]3CCCN(c4ccccc4)C3=O)CC2)c1 95998351 RCMHMQNDLPYSSU-GBXCKJPGSA-N 435.568 3.529 0 40 IHAB O=S1(=O)c2ccccc2O[C@H]2CCN(Cc3ccccn3)CC[C@@H]2N1Cc1ccccc1 96145858 SNTYVNQBDGEFDZ-GOTSBHOMSA-N 449.576 3.698 0 40 IHAB CCOc1ccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@H]6C[C@H]56)[C@@H]4C3=O)c2)cc1 102085960 CIWFEOSWQPEVPL-GNWGRXFHSA-N 428.488 3.895 0 40 IHAB COc1ccc(-c2noc(CN(C)C(=O)C3CCN(Cc4ccccc4F)CC3)n2)cc1 219424793 KOEAIOSRRLQYMT-UHFFFAOYSA-N 438.503 3.755 0 40 IHAB CCCNC(=O)c1ccccc1NC(=O)[C@H](CC)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220572423 ZXFUOYJPICWJMY-NRFANRHFSA-N 445.585 3.627 0 40 IHAB CC[C@@H](C(=O)NCCSCc1ccccc1C)N(c1ccccc1F)S(C)(=O)=O 220593373 CNVVOJATJZEBGG-IBGZPJMESA-N 438.590 3.728 0 40 IHAB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1c(C)[nH]c(C)c1I 222771378 BLQYADSGQIHPOM-CABCVRRESA-N 426.327 3.624 0 40 IHAB COc1cc(C)c([C@H](C)NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1C(C)C 223287212 HZFBENYEAJKLPC-INIZCTEOSA-N 436.549 3.910 0 40 IHAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N[C@@H](C)CC(C)(C)c1ccccc1 223505948 XXBZQRCZAHANBM-SFHVURJKSA-N 446.613 3.751 0 40 IHAB O=C(NCCOC(=O)c1snnc1-c1ccc(F)cc1)c1cccc(C(F)(F)F)c1 223844189 YQEDRIMURBNZOQ-UHFFFAOYSA-N 439.390 3.950 0 40 IHAB COc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1COCC(C)C 224453486 LAOIAIMJASDDRL-UHFFFAOYSA-N 440.540 3.555 0 40 IHAB CCN(Cc1ccc(C(=O)NCc2ccccn2)cc1)S(=O)(=O)c1ccc(Cl)cc1 224461464 OBBRIWFGHCKBJH-UHFFFAOYSA-N 443.956 3.876 0 40 IHAB O=C(/C=C/c1ccc(Br)cc1)NC1CCN(c2cc3c(nn2)CCCC3)CC1 225794046 NAKUMJFMUFQLJS-JXMROGBWSA-N 441.373 3.916 0 40 IHAB COc1ccc(C(=O)N2CCC[C@@](C)(c3cc(N)nc(C)n3)C2)cc1OCc1ccccn1 257204731 AWBHGDXSQOXYTI-RUZDIDTESA-N 447.539 3.544 0 40 IHAB COc1ccccc1CC(=O)N1CCC(c2n[nH]cc2C(=O)N2[C@@H](C)CCC[C@@H]2C)CC1 257232507 GLDAGASFSWDDAN-ROUUACIJSA-N 438.572 3.770 0 40 IHAB CCNC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(C(=O)c2ccccn2)CC1 257269798 MRKBXVMYFDJXCC-UHFFFAOYSA-N 428.536 3.745 0 40 IHAB CC[C@H](Oc1ccccc1OC)C(=O)N1CCC(c2cncc(Nc3cnccn3)n2)CC1 257292563 QMCPNUIEFWQGNZ-IBGZPJMESA-N 448.527 3.582 0 40 IHAB CCOc1ccc(NC(=O)/C=C/c2ccc(CNS(=O)(=O)c3ccccc3)o2)cc1 409190675 PHPNKTBBWGWVLA-CCEZHUSRSA-N 426.494 3.809 0 40 IHAB CC(C)[C@H](NC(=O)c1cn(Cc2ccccc2)c2ccccc12)c1nc(-c2nc[nH]n2)no1 502116485 XVMWPUFCLFDTHU-FQEVSTJZSA-N 441.495 3.985 0 40 IHAB CN1C(=O)c2ccc(-c3ccc(F)cc3F)cc2O[C@H]2CN(C(=O)c3ccccc3)C[C@H]21 514290384 ZSWDEKUIGPOEJE-GGAORHGYSA-N 434.442 3.989 0 40 IHAB biogenic,in-vitro CC1CC(C(=O)N2C[C@@H](c3ccnn3C(C)C)[C@@]3(CCCN(Cc4cccnc4)C3=O)C2)C1 585106457 KSVGFOMUUMQEPL-ZEKMXHKSSA-N 449.599 3.640 0 40 IHAB CN(CCc1ccccc1)[C@H]1[C@H](NC(=O)OC(C)(C)C)C[C@@H](Oc2cccc(F)c2)[C@@H]1O 585261663 NYLMSUUMROBPHR-LUKWVAJMSA-N 444.547 3.774 0 40 IHAB O=C1CN(Cc2c(F)cccc2F)Cc2cc(CCCO)ccc2OCCCCCN1 643580497 YOKFJSAVUFAVMP-UHFFFAOYSA-N 432.511 3.571 0 40 IHAB Cc1cc(OCC(=O)N[C@@H](C)c2nc3ccccc3n2C)c2c3c(c(=O)oc2c1)CCC3 1081814705 KFOFYRFNXDYMAL-HNNXBMFYSA-N 431.492 3.733 0 40 IHAB O=C(Nc1ccc2ccccc2c1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 813872 ZINQVWAQABZVGM-UHFFFAOYSA-N 430.913 3.766 0 40 IHAB COc1ccc(-c2csc3ncn(CC(=O)Nc4ccccc4F)c(=O)c23)cc1OC 1945238 PKZDACMTPLFLDQ-UHFFFAOYSA-N 439.468 3.920 0 40 IHAB CCOC(=O)C(C(=O)OCC)=c1ccc2c(c1)N1C3=C(CCCC3)C[C@@H]3CCCC[C@]31N=2 2105680 KWADPUSLUQDVEO-AFMDSPMNSA-N 436.552 3.521 0 40 IHAB biogenic Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(Br)cc3F)n2N)cc1 3272461 HFGGXYLZZVTMPZ-UHFFFAOYSA-N 436.310 3.600 0 40 IHAB Cc1cccc(C(=O)N[C@H](C(=O)OCC(=O)c2ccc(Br)s2)C(C)C)c1 3284277 SLUANNPDLDDGPE-KRWDZBQOSA-N 438.343 4.000 0 40 IHAB COc1ccc([C@@H]2[C@@H](C(=O)OCC(C)=O)CCC(=O)N2c2ccc(C)cc2)cc1OC 3368206 WUUMIRJQUIKVGI-WMZHIEFXSA-N 425.481 3.629 0 40 IHAB Cc1sc(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)c(C(N)=O)c1-c1ccc(C(C)C)cc1 4199773 UEFMHVVECHMYPR-ATLSCFEFSA-N 442.537 3.763 0 40 IHAB CCOCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccc(OC)c(OC)c1 8845450 VZTWLHWQDFFNOC-HSZRJFAPSA-N 437.496 3.771 0 40 IHAB O=C(CSc1nnnn1-c1ccccc1)N1N=C(c2cccs2)C[C@H]1c1ccco1 8966213 BXLYMHSUYNGCCS-INIZCTEOSA-N 436.522 3.787 0 40 IHAB COCCCNC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccccc2Cl)CC1 9063259 KELZJTSPMADNGD-UHFFFAOYSA-N 443.975 3.957 0 40 IHAB COC(=O)c1c(NC(=O)COC(=O)CCc2c[nH]c3ccccc23)sc2c1CCC2 9120610 HYWREAOMTZOWOZ-UHFFFAOYSA-N 426.494 3.619 0 40 IHAB O=C(CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1)Nc1nc2ccccc2[nH]1 9222716 XFAJWFVQOMHZAW-UHFFFAOYSA-N 426.542 3.699 0 40 IHAB CCCc1nnc2n1N[C@H](c1ccc(OC)cc1)[C@H](C(=O)Nc1cccc(OC)c1)S2 9239109 GYVDBKCTCGOIHX-WOJBJXKFSA-N 439.541 3.646 0 40 IHAB COc1ccc(-c2coc3cc(OCC(=O)NCc4ccncc4)ccc3c2=O)cc1OC 9423896 NVEFIVBCXOGFKK-UHFFFAOYSA-N 446.459 3.567 0 40 IHAB biogenic Cc1ccc(NC(=O)c2cc3c(s2)CCCCC3)cc1S(=O)(=O)N1CCOCC1 9463423 MXSYZFRVYUVOSC-UHFFFAOYSA-N 434.583 3.599 0 40 IHAB Cc1ccccc1-n1cnnc1SCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 9477221 RTTGMIUSTTZYQR-LJQANCHMSA-N 436.537 3.803 0 40 IHAB CC1(C)Cc2c(c(N3CCCC3)nc3sc4c(SCC(=O)O)ncnc4c23)CO1 9478813 AMYLERDIXIPONI-UHFFFAOYSA-N 430.555 3.868 0 40 IHAB C[C@H]1CN(c2cccc(Cl)c2)c2nc3c(c(=O)n(CCc4ccccc4)c(=O)n3C)n2C1 9519241 KQLGBPORVIGUKN-INIZCTEOSA-N 449.942 3.581 0 40 IHAB CC(=O)c1sc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)nc1C 9585247 DHSIAHSMAPHXSF-UHFFFAOYSA-N 441.962 3.734 0 40 IHAB COc1ccccc1N(CC(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)c1ccccc1 9850672 RPBMCHMRAMCJML-UHFFFAOYSA-N 432.448 3.807 0 40 IHAB CCCOC(=O)c1cc(NC(=O)COc2ccc(C)c(C)c2)ccc1N1CCOCC1 9934583 VBALVMGUUQWEJV-UHFFFAOYSA-N 426.513 3.724 0 40 IHAB O=C(NCCc1ccc(Cl)cc1)[C@@H]1CCCN(c2nc3ccsc3c(=O)s2)C1 9938780 HLWDTIHNSDLAQI-CQSZACIVSA-N 433.986 3.947 0 40 IHAB C[C@H](C(=O)NCCCc1ccccc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 10110309 XXWGTJKQZPTBPM-CQSZACIVSA-N 429.369 3.897 0 40 IHAB O=C(CNC(=O)c1ccc(Br)o1)Nc1ccc2nc(N3CCCC3)sc2c1 11965066 CEXMUOVJOQFMAC-UHFFFAOYSA-N 449.330 3.621 0 40 IHAB Cc1cc(NC(=O)[C@@H](C)Sc2nnc(CN3CCCCC3)n2-c2ccccc2)no1 12135771 VQRHPSFVGKZRBA-MRXNPFEDSA-N 426.546 3.669 0 40 IHAB CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)OCCOc1ccccc1F 12207318 YTFFWRJKXZUEJY-UHFFFAOYSA-N 429.469 3.887 0 40 IHAB CCCOc1ccc([C@@H]2CN3C(=O)CNC(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1OCC 12873170 SYJPTZGNDKNRFC-QYBDOPJKSA-N 447.535 3.675 0 40 IHAB biogenic COc1cc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc(Cl)c1OC(C)C 12928744 FVTVRKNGMVZPDS-UHFFFAOYSA-N 438.933 3.928 0 40 IHAB CCOC(=O)c1ccc(S(=O)(=O)Oc2ccc(C)cc2OC)c(Br)c1 12999531 IHQALCQSSXHUSD-UHFFFAOYSA-N 429.288 3.711 0 40 IHAB Cc1sc2nc(CS[C@@H](C)C(=O)/N=c3/sc4ccccc4n3C)[nH]c(=O)c2c1C 13134724 QXEQRTXDSGNHSU-SEDFNUQVSA-N 444.607 3.904 0 40 IHAB COc1cc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4Cl)[nH]c(=O)c32)ccc1O 13567307 FVSPZYVBOMZVIT-ZDUSSCGKSA-N 443.912 3.904 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)NCCCN2CCC(C)CC2)cc1 13646613 DGJFDRCYKXUACN-UHFFFAOYSA-N 443.613 3.672 0 40 IHAB Cc1ccc(OCC(=O)N(Cc2ccc(C(C)(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 16742185 SPSVKPQPODPZOD-OAQYLSRUSA-N 429.582 3.887 0 40 IHAB COC(=O)c1cc(C2CC2)nc2c1c(-c1ccc(Cl)cc1)nn2[C@@H]1CCS(=O)(=O)C1 16850712 HPQLQAFQKYPYKV-OAHLLOKOSA-N 445.928 3.775 0 40 IHAB O=C(Nc1nc2c(s1)CCCC2)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1 17170251 GKHSZPXJKZQUPX-GFCCVEGCSA-N 446.019 3.919 0 40 IHAB CCc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](c2ccc(Br)cc2)N2CCCN32)cc1 19171576 UMVPNPOVKATLAH-AABGKKOBSA-N 440.341 3.547 0 40 IHAB CSCC[C@H](NC(=O)c1cc2cc(C)ccc2n1C)c1cc(=O)[nH]c(-c2cccnc2)n1 19221233 MQHVMGMDGVUZNH-SFHVURJKSA-N 447.564 3.856 0 40 IHAB O=C(Nc1ccc2[nH]ncc2c1)c1cc(C2CCN(C(=O)c3ccccc3F)CC2)no1 19347471 KKFYKMSUZJZKMZ-UHFFFAOYSA-N 433.443 3.962 0 40 IHAB CCCN1CCN(C(=O)c2nccn2C)C[C@@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 19502765 HMEFDTZWGYWNJQ-OAQYLSRUSA-N 448.542 3.780 0 40 IHAB COc1ccc(OC)c(CN2CCNC(=O)[C@H](Cc3cccc(-c4cccnc4)c3)C2)c1 19551611 VWLSYQCBMSQCBK-HSZRJFAPSA-N 431.536 3.557 0 40 IHAB Cc1ncoc1C(=O)N1CCO[C@](Cc2cccc(-c3ccccc3)c2)(C(=O)NC(C)C)C1 19559597 VLBUMOGCQBEDFI-SANMLTNESA-N 447.535 3.629 0 40 IHAB CNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CCCN(C(=O)COc2ccccc2)C1 19591117 AKSCWWISLZDEPM-HHHXNRCGSA-N 443.547 3.725 0 40 IHAB COc1cccc(CN2CC[C@H](c3c(CNC(C)=O)cnn3-c3ccc(C)cc3)C2)c1F 19708015 BEVCUBYTSIWSDL-FQEVSTJZSA-N 436.531 3.954 0 40 IHAB Cn1cc(C(=O)Nc2nccs2)c(CC2CCN(C(=O)c3cc4ccccc4o3)CC2)n1 19758650 IJKVGLDBJIOYMX-UHFFFAOYSA-N 449.536 3.970 0 40 IHAB CCOc1cccc(CNC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2C)c1 20045763 QCAVAMOBEOJJRO-UHFFFAOYSA-N 430.570 3.888 0 40 IHAB COc1ccc([C@@H](CC(C)C)NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc1 20108165 CYQFERRRMINTME-OAQYLSRUSA-N 432.586 3.982 0 40 IHAB Cc1ccc(CSCC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1 20493821 WPFCJRZUMYCABO-UHFFFAOYSA-N 442.566 3.766 0 40 IHAB O=C(Nc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)cc1)c1ccc(Br)o1 20528397 FRSHIMCHEOHWEE-UHFFFAOYSA-N 446.223 3.505 0 40 IHAB CCOC(=O)c1cc(NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)ccc1Cl 22525765 UXNAYQZRYZCESW-UHFFFAOYSA-N 438.933 3.538 0 40 IHAB Cc1cc(NC(=O)[C@H]2CS[C@@H](Cc3ccc(F)cc3)C(=O)N2)ccc1Br 23081009 GGJJXUPEMSHMLK-SJORKVTESA-N 437.334 3.678 0 40 IHAB COc1ccccc1-n1ncc2c(C)nnc(SCC(=O)N3CCc4ccccc43)c21 23137870 FRQAKMMMMQINGR-UHFFFAOYSA-N 431.521 3.814 0 40 IHAB COc1ccc(CNC(=O)Cn2nc3c(c2NC(=O)CC2CCCCC2)CSC3)cc1 23139576 VYDMJOKPECRSIW-UHFFFAOYSA-N 442.585 3.864 0 40 IHAB CCOC(=O)c1cnn(-c2ccc(C(=O)NCC(=O)Nc3c(C)cc(C)cc3C)cc2)c1C 24824566 JCNJRBYWLWWNNK-UHFFFAOYSA-N 448.523 3.651 0 40 IHAB Cc1c(Br)c(C(F)(F)F)nn1[C@@H](C)C(=O)NCc1ccc2c(c1)OCO2 27936620 ZTZMBJWCEBJLOO-VIFPVBQESA-N 434.212 3.579 0 40 IHAB COc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(C)c(F)c3)on2)N2CCOCC2)cc1 27989861 CUMYUCNOWAWCFR-JOCHJYFZSA-N 439.487 3.601 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N[C@H](C)CCc2ccccc2)c(C)c1 28207815 BPDZPFDZQMFTKX-LJQANCHMSA-N 432.586 3.542 0 40 IHAB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 30619929 YHXBCWFGLPUZCR-NRFANRHFSA-N 429.948 3.940 0 40 IHAB CCN(CC)[C@H](CNC(=O)CN1C(=O)CSc2ccccc21)c1ccccc1Cl 32316753 WPSSOSDNVKTMOL-LJQANCHMSA-N 431.989 3.978 0 40 IHAB CCN(Cc1ccc(Br)s1)S(=O)(=O)c1ccc2c(c1)OCCCO2 32719006 GNWKFCYUHKGJSL-UHFFFAOYSA-N 432.361 3.883 0 40 IHAB Cc1oc(-c2cccs2)nc1CSc1nnc(CCC(N)=O)n1Cc1ccco1 32905076 OOQYFRIRTTXSFA-UHFFFAOYSA-N 429.527 3.655 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)OCc2nc3ccccc3nc2C)c1 32945228 JRPIQYVLWPPMGI-UHFFFAOYSA-N 427.526 3.634 0 40 IHAB CCC(C)(C)n1nnnc1[C@@H](c1ccccc1)N1CCN(Cc2ccccc2OC)CC1 35290724 ASHWTZFSTJVRSP-HSZRJFAPSA-N 434.588 3.734 0 40 IHAB Cc1cc(C)n(-c2cc(NCCNC(=O)c3sc(-c4ccccc4)nc3C)ncn2)n1 35597296 BMWRPCPAPNBBBO-UHFFFAOYSA-N 433.541 3.553 0 40 IHAB O=C(NCc1ccccn1)c1cccc(NC(=O)N(Cc2cccnc2)C[C@@H]2CCCO2)c1 48235244 DTUKSCUQKUAQLD-QHCPKHFHSA-N 445.523 3.620 0 40 IHAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N1CCC[C@H]1CN1C[C@H](C)O[C@H](C)C1 48286317 LOHHOWLCEFWUJV-UEXGIBASSA-N 449.599 3.532 0 40 IHAB Cc1ccc(-c2ccc3nn(Cc4nc(-c5ccc(Cl)cc5)no4)c(=O)n3n2)cc1C 49399487 QOJWRSVXJOJDTA-UHFFFAOYSA-N 432.871 3.927 0 40 IHAB Cn1nc(C(=O)N2CCC[C@H](c3cccc(-c4cccc(C(F)(F)F)c4)n3)C2)ccc1=O 72350067 HUGICXMXTLTRSX-INIZCTEOSA-N 442.441 3.881 0 40 IHAB CCN(CC)C(=O)c1c[nH]nc1[C@@H]1CCCCN1C(=O)COc1ccc(F)c(Cl)c1 72351361 YDQKWCRPDAATNQ-SFHVURJKSA-N 436.915 3.817 0 40 IHAB CCCN1CCN(C(=O)c2cnc(C)cn2)[C@@H](Cc2ccc(-c3cccs3)cc2)C1=O 72351502 VIYAPIYFIMPOAJ-NRFANRHFSA-N 434.565 3.819 0 40 IHAB Cc1cnc(C(=O)N2CCCC[C@H]2c2nc(C)c3c(n2)N(CC2CCCCC2)C(=O)C3)cn1 72371875 NEWCYSLBQKFCGH-NRFANRHFSA-N 448.571 3.720 0 40 IHAB Cc1nc(Cn2ncc3ccccc3c2=O)cc(NC[C@H](c2ccccc2Cl)N(C)C)n1 72373353 TZOGMQHAQOHIMJ-JOCHJYFZSA-N 448.958 3.911 0 40 IHAB CCOC(=O)[C@]1(Cc2cc(-c3ccccc3F)no2)CCCN(Cc2cncn2C)C1 72394018 NSPXIUPCBUGFHF-QHCPKHFHSA-N 426.492 3.602 0 40 IHAB CCc1ccc2[nH]c(=O)c(CNc3ccc(N4CCN(c5ncccn5)CC4)cc3)cc2c1 72396133 MMMBCOPBDPOSKJ-UHFFFAOYSA-N 440.551 3.819 0 40 IHAB CCOC(=O)Cc1csc(NC(=O)[C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)n1 89984706 YEMFPMHWXKHIMG-SFHVURJKSA-N 445.541 3.722 0 40 IHAB CCOC(=O)C1=C(CN2CCC(Cc3ccccc3)CC2)NC(=O)N[C@@H]1c1ccccc1 95100960 SPKITCROTAQRDY-XMMPIXPASA-N 433.552 3.812 0 40 IHAB CCCOc1c(Br)cc(C(=O)N2CCCc3cc(C(N)=O)ccc32)cc1OC 95941675 CMOVVKLIEQODCV-UHFFFAOYSA-N 447.329 3.938 0 40 IHAB COc1cc2ncn(CC(=O)Nc3cccc4c3ccn4CC(C)C)c(=O)c2cc1OC 96115972 GCIYGRSUAHLFBR-UHFFFAOYSA-N 434.496 3.663 0 40 IHAB biogenic COc1cc(/C=C2/N=C(c3ccc4c(c3)OCO4)OC2=O)ccc1OCc1c(C)noc1C 96803982 WCEGKTMOJSJOKY-QGMBQPNBSA-N 448.431 3.952 0 40 IHAB COc1cccc(CC(=O)NCCN2C(=O)S/C(=C/c3ccc(SC)cc3)C2=O)c1 97986178 RXWZWZLLSXJDRC-CPNJWEJPSA-N 442.562 3.812 0 40 IHAB C[C@@H](NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 102366127 BEIZABVBAPSJGG-LHUKNYEISA-N 434.583 3.590 0 40 IHAB Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)C2)n1 220812828 CIAXPCJCSSUDOQ-IAGOWNOFSA-N 428.533 3.739 0 40 IHAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(OC)c(OC)c1 222986576 IFUDNJLZXMVMBG-IBGZPJMESA-N 426.557 3.970 0 40 IHAB CC[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCC2)N(c1ccc(OC)cc1)S(C)(=O)=O 223236970 QECPWXPGMUUCCO-KSFYIVLOSA-N 430.570 3.606 0 40 IHAB CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1C(C)(C)C 223414520 UBUAVWKNVFBGET-NRFANRHFSA-N 426.557 3.925 0 40 IHAB COc1ccc(CN(C(=O)CCc2ccccc2)[C@H](C(=O)NCCO)c2ccccc2)cc1 223562871 KDYGGJVRIWCUQA-SANMLTNESA-N 446.547 3.506 0 40 IHAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CCc1ccc2c(c1)OCO2 223898548 WLFCJZVPPSBOBW-KRWDZBQOSA-N 440.515 3.963 0 40 IHAB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-n2cnnc2)c1C 224558961 IXUXSSPSXWQPAU-VXKWHMMOSA-N 445.552 3.589 0 40 IHAB COC(=O)CN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 224814183 JEOHNYWHQNMKGU-UHFFFAOYSA-N 441.505 3.739 0 40 IHAB CCCSc1nnc(NC(=O)[C@@H](CC)N(c2cccc(Cl)c2)S(C)(=O)=O)s1 225041489 AEJKZCUIZHKJAD-CYBMUJFWSA-N 449.023 3.877 0 40 IHAB CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1 225148445 WHLQDJTVUUDFPJ-UHFFFAOYSA-N 433.555 3.682 0 40 IHAB CN(CCC(=O)N1CCO[C@@H](c2cncc(-c3cccc(F)c3)n2)C1)c1cccc(F)c1 257252942 JWVUNPVDMXIANH-HSZRJFAPSA-N 438.478 3.848 0 40 IHAB Cc1nc(N2CCC(NS(=O)(=O)Cc3ccc(Cl)cc3)CC2)cc(C(F)(F)F)n1 390829690 FYNWZOBOBXQTFG-UHFFFAOYSA-N 448.898 3.546 0 40 IHAB Cc1cc(C=O)c(C)n1NC(=O)COc1ccc(Br)cc1Br 408567331 LUXYYNSOPHIZDB-UHFFFAOYSA-N 430.096 3.592 0 40 IHAB CCN(CC)C(=O)C(=O)c1cn(CC(=O)NCc2ccccc2Cl)c2ccccc12 408575594 WQGHCYDTNVWJLX-UHFFFAOYSA-N 425.916 3.662 0 40 IHAB CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)N[C@H](C)CCc2ccccc2)cc1 408597903 WHBKEYSLPVTLOS-RTBURBONSA-N 432.586 3.526 0 40 IHAB Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)c(C)c1 408657954 KGPIZWGKBYMWJL-WOJBJXKFSA-N 432.476 3.555 0 40 IHAB CCc1cccc(CC)c1N1C[C@H](C(=O)OCC(=O)Nc2ccccc2Cl)CC1=O 408663571 PZYLAXPLVVJOFT-QGZVFWFLSA-N 428.916 4.000 0 40 IHAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Cl)cc(Br)c2O)C1=O 409009126 BPBXCHNTJHMZFW-AUEGDVLESA-N 434.695 3.796 0 40 IHAB COc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccc(C(C)C)cc3)[C@H]2c2ccccc2)cc1 409066959 IHRIALVAEYOSCH-YZJHEVQWSA-O 442.539 3.835 0 40 IHAB COc1cc(C(=S)N2CCN(c3ccccc3F)CC2)cc(Br)c1O 409220857 GXZLCXVXBXFPEP-UHFFFAOYSA-N 425.323 3.800 0 40 IHAB C[C@H](NC(=O)c1cnc2nc(O)nc(O)c2c1)c1ccc(NC(=O)Nc2ccccc2)cc1 515428305 KHSUENPYGHZPOD-ZDUSSCGKSA-N 444.451 3.571 0 40 IHAB COCc1cc(NC(=O)c2cn(-c3nc(C)cc(C)n3)nc2C(C)C)cc(C(=O)OC)c1 561507663 BUQXLARCAVGSHP-UHFFFAOYSA-N 437.500 3.588 0 40 IHAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N([C@@H]1CCN(CC(F)(F)F)C1=O)CC2 599200363 HXAMUHPTEHRPPZ-NQIIRXRSSA-N 434.458 3.815 0 40 IHAB COCC(=O)Nc1nc2n(n1)[C@@H](c1ccc(OC)cc1)C[C@H](c1ccc(Cl)cc1)N2 2422855 FLZSHEQGLFRKQL-QZTJIDSGSA-N 427.892 3.671 0 40 IHAB COc1ccc(-c2nc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)sc2C)cc1 2629019 SCCPNLXRXXVGFV-UHFFFAOYSA-N 431.539 3.630 0 40 IHAB CC(=O)Nc1ccc(NC(=O)[C@H](C)Oc2ccccc2C(=O)NCc2ccccc2)cc1 3341673 PDEJTUOQCLBXHK-KRWDZBQOSA-N 431.492 3.981 0 40 IHAB C[C@@H](Sc1nc2ccccc2c(=O)n1Cc1ccco1)C(=O)Nc1ccc2c(c1)OCO2 3372339 TVWVPXFLAPGFFL-CQSZACIVSA-N 449.488 3.886 0 40 IHAB CCOc1ccc(N(Cc2ccccc2)C(=O)c2nc(S(C)(=O)=O)ncc2Cl)cc1 8611935 ZMNIATBZPHXKRZ-UHFFFAOYSA-N 445.928 3.779 0 40 IHAB CCn1c(SCC(=O)Nc2sc3c(c2C(=O)OC)CCC3)nnc1-c1ccco1 8620081 QUWFZBBMQRBFTG-UHFFFAOYSA-N 432.527 3.626 0 40 IHAB CCOC(=O)N1CCN(C(=O)CSc2nnc(Nc3ccc(C(C)C)cc3)s2)CC1 8780246 OCRLVONERIOFBH-UHFFFAOYSA-N 449.602 3.798 0 40 IHAB CCOc1ccc([C@@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2CCO)cc1 8845378 PFLGFDUXKAYOSF-OAQYLSRUSA-N 427.888 3.680 0 40 IHAB COc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)cc1S(=O)(=O)NC1CC1 8897185 MUOAMVYLXPEIOF-UHFFFAOYSA-N 443.569 3.625 0 40 IHAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(NC(=O)c2cccs2)cc1 8924931 AEEFMQWKNRTLNJ-HXUWFJFHSA-N 447.516 3.996 0 40 IHAB Cc1ccc(-c2nc(COC(=O)CN3C(=O)N[C@@]4(CCCC[C@H]4C)C3=O)cs2)cc1 9126339 JJJPISZYBBTBQK-IVZQSRNASA-N 427.526 3.662 0 40 IHAB CCOc1ccc([C@@H]2Nn3c(CC)nnc3S[C@H]2C(=O)Nc2ccccc2F)cc1 9239284 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427.450 3.540 0 40 IHAB CC(C)NC(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)c2ccnn2C)C1 19449487 NFZYAEHNAHUFJU-DEOSSOPVSA-N 436.581 3.748 0 40 IHAB C[C@@H](C(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)CCN(C2CCCCC2)C3)C1)c1ccccc1 19459022 DSVBFHRNFXXDHL-QUCCMNQESA-N 434.584 3.580 0 40 IHAB COc1cccc([C@@H]2CN(C(=O)CCc3ccccc3OC)C[C@]23CCCCC(=O)N3)c1 19566090 LOGPUEZGTLFQTF-BKMJKUGQSA-N 436.552 3.691 0 40 IHAB COc1ccc2c(c1)c(-c1nc(C)ncc1CNC(=O)CCCn1nc(C)cc1C)cn2C 19574183 VUUDQRCOPJIMGY-UHFFFAOYSA-N 446.555 3.862 0 40 IHAB COc1ccccc1CNC(=O)c1cn(C)nc1CC1CCN(Cc2ccccc2)CC1 19754128 GCOGACAGCGLHKD-UHFFFAOYSA-N 432.568 3.813 0 40 IHAB O=C(CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)Nc1ccc(-c2ccccc2)cc1 20888914 QFQDVMDCBXAABN-QHCPKHFHSA-N 438.487 3.937 0 40 IHAB CCOc1cc(CNCCSc2nnnn2-c2ccccc2)cc(Cl)c1OCC 22108022 BLVONFYXVWYATA-UHFFFAOYSA-N 433.965 3.995 0 40 IHAB CC(C)c1ccccc1N(CC(=O)NCCSCc1ccccc1F)S(C)(=O)=O 22395095 REFWSBCAVIHURC-UHFFFAOYSA-N 438.590 3.765 0 40 IHAB CC(C)(C)c1ccc(C(=O)NCCC(=O)Nc2ccc(-c3nnnn3C3CC3)cc2)cc1 22889105 PQRPTQHPIDUTFR-UHFFFAOYSA-N 432.528 3.731 0 40 IHAB CCc1ccc(-c2noc(CN3CCN(CC(=O)Nc4c(C)cccc4C)CC3)n2)cc1 22892505 KFXDFGCPSXXXNK-UHFFFAOYSA-N 433.556 3.672 0 40 IHAB O=C(CN1C(=O)COc2ccccc21)NC[C@@H](c1cccs1)c1c[nH]c2ccccc12 23484753 JDQYSQOKBVVFEU-GOSISDBHSA-N 431.517 3.903 0 40 IHAB Cn1ccnc1[C@H](NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)c1ccc(F)cc1 23777587 MESIKEMYPMDWEF-WIYYLYMNSA-N 435.503 3.709 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)c2ccc(-n3nccc3C)cc2)cc1 23796292 LOOMBADAMQNWSE-SFHVURJKSA-N 440.569 3.702 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(NC(=O)CC(C)C)cc2)s1 26390773 CBOGXKLPVGKQPU-SFHVURJKSA-N 449.598 3.833 0 40 IHAB O=C(COc1cccc(Cl)c1Cl)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 32739518 PXFIQFDBJPEXFL-GFCCVEGCSA-N 434.366 3.650 0 40 IHAB CCOc1cc2c(cc1COC(=O)c1cccc(S(=O)(=O)N3CCCC3)c1)O[C@H](C)C2 32848677 OTOARZGUMIHUAT-MRXNPFEDSA-N 445.537 3.550 0 40 IHAB 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C[C@@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 118912613 GHCZAUBVMUEKKP-XXCMBBEASA-N 449.632 3.594 0 40 IHAB CC(=O)c1ccc(N2CCN([C@@H]3CC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)CC2)cc1 215725588 MXOQXRIZWDRRPH-HXUWFJFHSA-N 446.334 3.650 0 40 IHAB CC[C@@H](NC(=O)C1=C(C)c2cc(OC)c(OC)cc2N(C)S1(=O)=O)c1ccc(C)cc1 219193757 SGBYZQICNLBMIC-GOSISDBHSA-N 444.553 3.790 0 40 IHAB COc1ccc(OC)c(NC(=O)[C@H](C)N(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)c1 220246772 CKMVPJLWIITOGJ-NSHDSACASA-N 447.340 3.804 0 40 IHAB CC[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N(c1cc(C)ccc1C)S(C)(=O)=O 220554621 JNGPIOHYKRSQNN-HXUWFJFHSA-N 443.569 3.614 0 40 IHAB CC[C@@H](C(=O)Nc1ccc(Br)cc1)N(c1ccccc1F)S(C)(=O)=O 220586256 DQHZRVZEYKMGSG-HNNXBMFYSA-N 429.311 3.772 0 40 IHAB CC[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O 220733430 AVYICCDNRDEORH-KRWDZBQOSA-N 438.933 3.603 0 40 IHAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)s2)cc1 222901632 QIDPKFJKVVZVNA-UHFFFAOYSA-N 442.444 3.918 0 40 IHAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)N[C@H](C)c3ccc(C)cc3C)s2)cc1 225624373 JNRKXFXYMANKEY-OAHLLOKOSA-N 430.555 3.755 0 40 IHAB COc1ccc(OC)c(NC(=O)Cc2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c1 225981242 XPYTUJWCULVENT-UHFFFAOYSA-N 440.521 3.710 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)N(C)c2ccccc2)Cc2ccccc2F)cc1 226022500 QBEVKONUSYMDBS-UHFFFAOYSA-N 426.513 3.988 0 40 IHAB CC(C)(C)C(=O)NC[C@@](O)(c1ccccn1)[C@@H]1CCCN(Cc2ccc(F)c(F)c2)C1 257201416 AHQLHOFDFITKKU-KOSHJBKYSA-N 431.527 3.622 0 40 IHAB COc1cccc2[nH]c(C(=O)NC[C@H]3CC[C@H](c4nnc(-c5cnccn5)o4)CC3)cc12 257206612 BEEHIGJVYTVWDC-SHTZXODSSA-N 432.484 3.720 0 40 IHAB CCOc1ccc2[nH]c(C(=O)N3CC[C@H](O)[C@@H](Oc4cccc(OC)c4)CC3)c(C)c2c1 257215776 CRPAOBINCPQKGV-GOTSBHOMSA-N 438.524 3.928 0 40 IHAB CN(C)C(=O)c1sc2nccnc2c1[C@@H]1CCN(C(=O)c2nccc3ccccc23)C1 257218378 DCXOLNXUUHLJCP-OAHLLOKOSA-N 431.521 3.571 0 40 IHAB Cc1cccc(Nc2cc(C)nc(C3CCN(CC(=O)NCc4ccccn4)CC3)c2)n1 257299765 RRNHWNXRPUGMHH-UHFFFAOYSA-N 430.556 3.728 0 40 IHAB Cc1ccc(CS(=O)(=O)N2CCC(c3cncc(Nc4ncccc4C)n3)CC2)cc1 257307946 TUVPPYNAEOCJBJ-UHFFFAOYSA-N 437.569 3.941 0 40 IHAB COc1ccc(C(=O)N2CCN(C)[C@@H](c3ccccc3OC)C2)cc1OCc1ccccn1 257314342 UWNUVSNUCSQNCZ-JOCHJYFZSA-N 447.535 3.807 0 40 IHAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccccc3Cl)C2)c(C)c1 408555508 XIWXMXIFBPTNIF-LJQANCHMSA-N 434.989 3.982 0 40 IHAB COc1ccc(CCNC(=O)c2ccccc2NC(=O)COc2ccccc2)cc1OC 408574308 GUVYCPJGCKODIC-UHFFFAOYSA-N 434.492 3.694 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 408616570 HCNQMISYURVCFV-UHFFFAOYSA-N 432.542 3.665 0 40 IHAB CCc1nc(S/C(=C\c2cc(Br)c(O)c(Br)c2)C(=O)O)n[nH]1 408633425 YIRMAAQMXOATFE-UITAMQMPSA-N 449.124 3.816 0 40 IHAB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1ccc(F)cc1 408642418 DUCOXNFYQOYXPY-RTBURBONSA-N 442.874 3.894 0 40 IHAB Cc1cccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)c2)c1C 408654349 GHTCNQNVCJAUOY-BSWISCRUSA-N 446.503 3.634 0 40 IHAB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2CCCC[C@H]2C1=O)c1ccc(F)cc1 408656522 SVWYXVLRNNCQJV-CALCHBBNSA-N 442.874 3.894 0 40 IHAB Cc1cccc(N(CCCC(=O)Nc2ccccc2Br)S(C)(=O)=O)c1 408695784 ZHYZRPKJRAJRDR-UHFFFAOYSA-N 425.348 3.942 0 40 IHAB Cc1cccc(CNC(=O)c2ccccc2NC(=O)C(=O)NC[C@@H](C)c2ccccc2)c1 408710343 YEJSOGMACWWJHO-LJQANCHMSA-N 429.520 3.783 0 40 IHAB CCOCCCNC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1 409115744 KFCUFKVFCWXVQI-UHFFFAOYSA-N 445.368 3.732 0 40 IHAB CC[C@@H](C)Oc1c(Br)cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc1OC 409132973 YVGDXLKDTIDLOZ-MRACZJACSA-N 444.303 3.756 0 40 IHAB COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)c1nn(CC(C)C)c(=O)c2ccccc12 517429999 KDWMBHCIUOOHNX-FQEVSTJZSA-N 449.551 3.883 0 40 IHAB Cc1ccc(-c2n[nH]c(C)n2)c(NC(=O)CN[C@@H](C)c2cccc(N3CCCC3=O)c2)c1 540409332 DAQLDUXHFQRVII-INIZCTEOSA-N 432.528 3.505 0 40 IHAB O=C(NCc1ccc(Oc2ccccc2F)c(F)c1)N1CCN(c2ncc(F)cn2)CC1 544683726 RDMNULBAVNBLFN-UHFFFAOYSA-N 443.429 3.718 0 40 IHAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(-c2ccccn2)n1Cc1ccccc1 579300945 BDWUSDMSERSXKG-SFHVURJKSA-N 447.564 3.989 0 40 IHAB O[C@]1(COc2ccc(Cl)cc2)COCCN(C[C@]2(O)CC[C@@H](c3ccccc3)CC2)C1 585285885 DPAWFQAHMBFKQQ-GPUOULLFSA-N 445.987 3.871 0 40 IHAB O=C(CCc1ccccc1Br)NC[C@](O)(c1ccccc1)C1CCOCC1 618254948 IDHPCTXGEIYCRN-QFIPXVFZSA-N 432.358 3.812 0 40 IHAB O=C(N[C@H]1COc2c(F)cc(F)cc2C1)c1cccc(-c2noc(C(F)(F)F)n2)c1 1514788807 ZZYKFRHKFDFSPR-CYBMUJFWSA-N 425.313 3.767 0 40 IHAB Cc1nc(N2CCN(S(=O)(=O)c3ccccc3)CC2)c2c3c(sc2n1)C[C@H](C)CC3 1377147 LDDVPQWEBDFTKA-OAHLLOKOSA-N 442.610 3.635 0 40 IHAB aggregator COc1ccc([C@H]2C[C@@H](c3ccccc3Cl)n3nc(N4C(=O)CCC4=O)nc3N2)cc1 2231768 UPLKQIXODFYQPU-MSOLQXFVSA-N 437.887 3.740 0 40 IHAB O=C(C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N1CC=C(c2ccccc2)CC1 3406703 STUVLABKSDEAAL-UHFFFAOYSA-N 428.529 3.542 0 40 IHAB aggregator O=C(OCc1c(Cl)cccc1Cl)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 3463916 SWDNUIOFLZCJAF-UHFFFAOYSA-N 448.299 3.510 0 40 IHAB CCn1c(CN2CCCCCC2=O)nnc1SCC(=O)c1c(C)[nH]c2ccccc12 5538337 IACGLSPUEXHODT-UHFFFAOYSA-N 425.558 3.965 0 40 IHAB Cn1c(SCC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)nc2ccccc21 6144086 DEBZWUJAGODDGF-UHFFFAOYSA-N 429.567 3.723 0 40 IHAB O=C1Oc2ccccc2[C@@H]2Oc3c(c(=O)oc4ccccc34)[C@@]3(C(=O)Nc4ccccc43)[C@@H]12 8856955 SZXKKLUZNAQNME-DYRZZGSRSA-N 437.407 3.700 0 40 IHAB CN1O[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@@H]1CC(=O)c1ccc(-c2ccccc2)cc1 8873770 LTWXYDRMEPGMLU-OEMFJLHTSA-N 426.472 3.730 0 40 IHAB COc1ccccc1N1CCN(c2nc(Nc3ccc(C)cc3)c3nccnc3n2)CC1 9074132 ASPDHJCKKNHXIT-UHFFFAOYSA-N 427.512 3.807 0 40 IHAB CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)CSc1ccc(Cl)cc1 9119565 JNDXEUUKRLIXGI-UHFFFAOYSA-N 441.336 3.726 0 40 IHAB O=C(CN1c2ccc(Br)cc2-c2ccccc2S1(=O)=O)NC1CCCC1 9250361 AQKBASWCUHZMKD-UHFFFAOYSA-N 435.343 3.684 0 40 IHAB Cn1c(CCNC(=O)c2ccc(Cl)cc2)nnc1SCC(=O)c1ccc(F)cc1 9327691 OQLLHRLFNHCXIP-UHFFFAOYSA-N 432.908 3.555 0 40 IHAB O=C(COc1ccccc1C(=O)NCc1ccncc1)Nc1ccc(Br)cc1 9492703 QILYUENACALYCP-UHFFFAOYSA-N 440.297 3.792 0 40 IHAB CCOc1ccc(-c2ccc3nnc(SCC(=O)NCc4ccccc4OC)n3n2)cc1 9829094 XTQHCJAOHVWPSS-UHFFFAOYSA-N 449.536 3.607 0 40 IHAB COc1cc(OC)c(C2=CCN(C(=O)c3cncn3-c3ccc(F)cc3)CC2)c(OC)c1 11918718 UGIWMPGMARTSGT-UHFFFAOYSA-N 437.471 3.967 0 40 IHAB Cc1ncc(-c2ccncc2)c([C@H]2CCCN(C(=O)CCn3c(=O)oc4ccccc43)C2)n1 12088635 CTLOAKCQPMHFKY-IBGZPJMESA-N 443.507 3.551 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NC3CCN(C(C)C)CC3)cc2)c1 12525895 UHPONGUCFCQZOT-UHFFFAOYSA-N 429.586 3.707 0 40 IHAB O=C(O)CCc1ccc(S(=O)(=O)Nc2ccc3nc(N4CCCC4)sc3c2)cc1 12560830 SFIMJQRSCGZLKR-UHFFFAOYSA-N 431.539 3.715 0 40 IHAB O=S(=O)(Nc1nc2ccccc2nc1NCc1ccccc1)c1ccc2c(c1)OCCO2 12585074 UVXNTBBMQIWJIL-UHFFFAOYSA-N 448.504 3.814 0 40 IHAB O=C(Nc1ccccc1O)C1CCN(CC(=O)N(Cc2ccccc2)Cc2ccco2)CC1 12792256 FQWPKRLLIGPNGB-UHFFFAOYSA-N 447.535 3.865 0 40 IHAB Cc1ccccc1C(=O)N1CCC(C(=O)O[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)CC1 12803282 AUVCDSOMFSMKIE-RBUKOAKNSA-N 434.536 3.757 0 40 IHAB CCn1c(SCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)nnc1-c1cccs1 13113166 SMXHJPFCFMJRPM-ZDUSSCGKSA-N 427.555 3.883 0 40 IHAB C[C@H]1c2cc3c(cc2CCN1S(=O)(=O)c1ccc(Br)cc1)OCCCO3 13576623 RQPBITJXDVSCBO-ZDUSSCGKSA-N 438.343 3.918 0 40 IHAB CC(C)OC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC(C)C)[C@@H]1c1ccc(C(C)(C)C)cc1 13583199 UTHOPROUGTUCHE-VWEIPLKFSA-N 432.557 3.927 0 40 IHAB COc1cc(C(C)=O)ccc1OCC(=O)Nc1cccc(-c2ccc(N3CCCC3)nn2)c1 13608712 MJXMCSIBXWRXGS-UHFFFAOYSA-N 446.507 3.973 0 40 IHAB COCc1nn2c3c(nnc2c1-c1ccc(OC)c(OC)c1)C(=O)C[C@@H](c1ccccc1)C3 13639460 NSFYYWFCPNCHQB-KRWDZBQOSA-N 444.491 3.868 0 40 IHAB O=C(Nc1ccc(F)cc1F)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 13682263 IJEHYGAYOFJANL-OAQYLSRUSA-N 444.459 3.701 0 40 IHAB COc1ccc([C@H](NCc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)c2ccccc2)cc1 14244596 RIGAVQJPFYAWJD-XMMPIXPASA-N 431.492 3.828 0 40 IHAB NC(=O)COc1cccc([C@@H]2CC(=O)Nc3c2sc(C(=O)O)c3-c2ccc(F)cc2)c1 15082353 DXYPUJLPGVUKES-HNNXBMFYSA-N 440.452 3.591 0 40 IHAB CC1(C)CS(=O)(=O)N(c2ccc(C(=O)Nc3ccc(N4CCCCC4)cc3)cc2)C1=O 15843266 XGJFHFSSNJWMJQ-UHFFFAOYSA-N 441.553 3.632 0 40 IHAB COc1cc2c(cc1OC)CN(C(=O)Cc1csc(NC(=O)c3cccs3)n1)CC2 16053519 YMIMSXSIMBLKSG-UHFFFAOYSA-N 443.550 3.602 0 40 IHAB CN(CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)S(=O)(=O)c1ccccc1 16188278 ZYJQIZKHDKMMRS-UHFFFAOYSA-N 442.924 3.830 0 40 IHAB C[C@@H]1COC[C@@H](C)N1c1ncc(-c2nnnn2-c2ccccc2)c(-c2ccccc2F)n1 16609684 LBCNLYIAELZNFR-HZPDHXFCSA-N 431.475 3.539 0 40 IHAB O=C(c1ccc(=O)[nH]c1)N(Cc1cccs1)C1(C(=O)NC2CCCC2)CCCCC1 18250331 OTRXXRYUPYJGMR-UHFFFAOYSA-N 427.570 3.841 0 40 IHAB COC1CCC(C(=O)N2CCC[C@H]([C@@H]3C[C@H](C(F)(F)F)n4nc(C)cc4N3)C2)CC1 19127541 HFZYKIYDBXQRDX-YVZBVZGPSA-N 428.499 3.923 0 40 IHAB CC(C)NC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)c2ccn(C)n2)C1 19449450 VPAUFVWAVIRCRS-DEOSSOPVSA-N 436.581 3.748 0 40 IHAB CNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCN(C(=O)Cc2cccc(OC)c2)C1 19591494 OIABSRJWXGQSNR-HHHXNRCGSA-N 443.547 3.507 0 40 IHAB CNC(=O)[C@]1(Cc2ccccc2-c2ccc(F)cc2)CN(C(=O)C2CCCCC2)CCO1 19591801 WEEIEJCJFWHWPT-SANMLTNESA-N 438.543 3.959 0 40 IHAB O=C(Cn1cc(C(=O)NCc2ccc(F)cc2)ccc1=O)NC1(c2ccccc2)CCCC1 19751584 AHNINNVZOUARMT-UHFFFAOYSA-N 447.510 3.503 0 40 IHAB Cc1cccc(OCCN2CCC(Cc3nn(C)cc3C(=O)Nc3nccs3)CC2)c1 19756504 RLIBDVRVNQFRAT-UHFFFAOYSA-N 439.585 3.771 0 40 IHAB CN(C)C(=O)c1cc([C@H]2CCN(CC(=O)N3CCCc4ccccc43)C2)nc2ccccc12 19760969 YSLVWIZHYFNKMY-FQEVSTJZSA-N 442.563 3.705 0 40 IHAB COc1ccc(-c2csc(N(CCCN3CCOCC3)C(=O)c3ccco3)n2)cc1 19823145 WHTLGYSYQOXZMI-UHFFFAOYSA-N 427.526 3.781 0 40 IHAB COc1ccc([C@@H](CC(C)C)NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)cc1 20043296 JARXSKUSLCUTCW-OAQYLSRUSA-N 432.586 3.982 0 40 IHAB CC(C)[C@@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3cc(F)ccc3F)N2C1=O 21052742 SMXJHZSKPAXAST-SFHVURJKSA-N 428.464 3.951 0 40 IHAB COc1cc(Br)c(OC)c(C(=O)Nc2ccc(N3CCCC3=O)c(OC)c2)c1 21130605 QDOGLDWTYVEIBT-UHFFFAOYSA-N 449.301 3.854 0 40 IHAB C[C@H](NC(=O)COc1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1)c1ccccc1 22230997 LFKTZEDGXGPCOF-IBGZPJMESA-N 438.549 3.909 0 40 IHAB O=C(Cn1nc(O)c2ccccc2c1=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 22527183 PXNURAGHICDUCG-MQHNZPCDSA-N 437.499 3.516 0 40 IHAB CCOc1ccc(NC(=O)c2cc(Cl)cn2C)cc1S(=O)(=O)N1CCCCC1 27105828 KGCKUNMBFNFZFY-UHFFFAOYSA-N 425.938 3.504 0 40 IHAB COc1ccc(-c2nc(CC(=O)N3CCC[C@@H]3c3nnc4ccccn34)cs2)cc1OC 27160861 ISRGLRCCUSFZLP-QGZVFWFLSA-N 449.536 3.776 0 40 IHAB Cc1c(C)c(C)c(S(=O)(=O)N2CCN([C@@H](C)c3nc(C(C)C)no3)CC2)c(C)c1C 27771113 TXAYMEQADSGPAD-IBGZPJMESA-N 434.606 3.803 0 40 IHAB O=S(=O)(c1ccc(SCc2noc(-c3ccc(Cl)cc3)n2)nc1)N1CCCC1 29391727 OVEUVTVGWITFRT-UHFFFAOYSA-N 436.946 3.862 0 40 IHAB COc1ccc(OC)c(NC(=O)[C@H](C)OC(=O)c2cc(C)n(CC(F)(F)F)c2C)c1 30346203 ZZLAWIPKYRUJMR-ZDUSSCGKSA-N 428.407 3.868 0 40 IHAB COc1c(C)cnc(CN2CCN([C@@H](C(=O)O)c3c[nH]c4ccc(Cl)cc34)CC2)c1C 31811233 LYPVDEGEULKGHD-OAQYLSRUSA-N 442.947 3.785 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1F 32586821 NBFVOSPTJVEBQY-UHFFFAOYSA-N 428.485 3.608 0 40 IHAB COc1ccccc1N1C(SCc2ccc(F)cc2Cl)=N[C@@H]2CS(=O)(=O)C[C@H]21 32640395 YTWYVHVTMKWLDB-NVXWUHKLSA-N 440.949 3.763 0 40 IHAB Cc1cccn2c(=O)cc(CSc3nnc(NC(=O)Nc4cccc(F)c4)s3)nc12 41086134 LIKDXRLPMBYEHO-UHFFFAOYSA-N 442.501 3.930 0 40 IHAB Cc1cc(OCC(=O)NCc2ccccc2Br)nc(N2CCCCCC2)n1 44170247 RCKMWTFROWUUJV-UHFFFAOYSA-N 433.350 3.623 0 40 IHAB C[C@H](N[C@H](c1ccccc1)c1ccc(Cl)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 58169866 IVXXXFMEIIPONZ-YCRPNKLZSA-N 443.956 3.694 0 40 IHAB Cc1ccccc1OCCNC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 59475197 DKLQLBOLZZFUQH-UHFFFAOYSA-N 438.549 3.694 0 40 IHAB CCN1CC[C@@]2(CN(CC(C)C)CC23CCN(C(=O)c2cccc4cccnc24)CC3)C1=O 96262779 MOMSGDQWSZXQSG-HHHXNRCGSA-N 448.611 3.667 0 40 IHAB O=C1[C@H]2ON=C(c3ncc(C(F)(F)F)cc3Cl)[C@@H]2C(=O)N1c1ccc(Cl)cc1 100923319 HDGRGYIOPAXWKP-FZMZJTMJSA-N 430.169 3.700 0 40 IHAB Clc1ncn(C23C[C@H]4C[C@@H](CC(c5nnc(-c6ccc7c(c6)OCO7)o5)(C4)C2)C3)n1 102444070 OMJQAYNWUDRGGO-VRTLLEBXSA-N 425.876 3.957 0 40 IHAB C[C@@H]1CN(c2ccccc2NC(=O)N[C@H](CN2CCCC2=O)c2ccccc2)C[C@@H](C)O1 106103913 SLRWYSOQLIGTMR-WOIUINJBSA-N 436.556 3.785 0 40 IHAB CC[C@H](C(=O)n1cc(C(=O)OC)c2ccccc21)N(c1ccc(C)c(C)c1)S(C)(=O)=O 222613239 DFELMTIAYZOOBK-HXUWFJFHSA-N 442.537 3.930 0 40 IHAB COc1ccc(N(C)C(=O)CCc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1 222853488 ZJLSFWCUEXCYGG-UHFFFAOYSA-N 430.570 3.902 0 40 IHAB COc1ccccc1CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(C)cc1 223377214 UBBPVRGFZVXAQZ-UHFFFAOYSA-N 436.533 3.685 0 40 IHAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN1C(=O)c2cccc3cccc1c23 224115300 YOQKQPDAADJFHY-OAQYLSRUSA-N 429.520 3.744 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2c(C)cc(C)cc2C)cc1Br 224884864 RFHCLRDOPVZTSK-UHFFFAOYSA-N 442.331 3.663 0 40 IHAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(F)cc1 224939563 CFJBCGCRWJRVSP-JOCHJYFZSA-N 430.520 3.793 0 40 IHAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc2c(c1)OCO2 225242203 KCAOHHIPZYHADJ-SJORKVTESA-N 428.504 3.819 0 40 IHAB COCCC(=O)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(OC(C)C)cc2)C1 227308197 HZIKANNGKYALMR-SQJMNOBHSA-N 425.573 3.975 0 40 IHAB O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)N1CN(C(=O)c1ccccc1)c1ccc(Cl)cc1 250253075 ZFMMPPBIGVCAFH-PCPGVINSSA-N 432.907 3.997 0 40 IHAB CNC(=O)c1cnn([C@@H]2CCCN(C(=O)C3(c4ccc(Cl)cc4)CCCC3)CC2)c1 257261170 LGAUIOVFUDWCKA-HXUWFJFHSA-N 428.964 3.962 0 40 IHAB CCCN1CCN(C(=O)c2cnc(C)cn2)[C@H](Cc2ccc(-c3ccccc3)cc2)C1=O 257286193 PKRQWILBRLYXKW-XMMPIXPASA-N 428.536 3.758 0 40 IHAB CCCc1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4N(C(C)=O)[C@@H]3Cc2ccccc2)n(C)n1 257290871 QERDNWUKSBGVMI-VPYYATKVSA-N 448.611 3.988 0 40 IHAB CCOc1ccc(N([C@@H](CC)C(=O)N[C@H](C)COc2ccc(C)cc2)S(C)(=O)=O)cc1 260588216 GYKQFXRNIWIAHI-GCJKJVERSA-N 448.585 3.522 0 40 IHAB Cc1cccc(N([C@@H](C)C(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)S(C)(=O)=O)c1 260588459 JXFCUBQDYBIZPK-PXNSSMCTSA-N 430.570 3.877 0 40 IHAB CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 408602263 IMNGMQHDKPJFOD-JTQLQIEISA-N 436.839 3.673 0 40 IHAB C[C@@H](NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1)c1ccccc1 408668559 MCBSEOORCZJRDW-UKRRQHHQSA-N 435.307 3.767 0 40 IHAB COc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(Br)cc2C)cc1 408669339 WBTLGXQESHHTPF-UHFFFAOYSA-N 449.301 3.667 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1 409181186 YRCQXBSCPLXLDN-UHFFFAOYSA-N 438.505 3.941 0 40 IHAB C[C@@]1(O)CCN(C(=O)NC2CCCCC2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CCCC1 514289950 PKEKRGFQKCCCAZ-WRALFONMSA-N 427.589 3.902 0 40 IHAB biogenic,in-vitro O=S1(=O)CC[C@H](N(CCNCc2cccc(Cl)c2)Cc2ccc(Cl)cc2)C1 575421389 PZQXPLIHRWFUPJ-FQEVSTJZSA-N 427.397 3.772 0 40 IHAB O=C(/C=C\c1cc(Br)cs1)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)O 584908402 HAAZNYPPGBVPDX-ZENLRNHISA-N 437.290 3.956 0 40 IHAB CCOC(=O)c1ccc(N2C(=O)[C@@H]3CS[C@@H](c4ccc(OC)cc4)N3C2=S)cc1 1072857 QHBPMBHZCNXXJP-HKUYNNGSSA-N 428.535 3.620 0 40 IHAB Cc1ccc2cc(CN(Cc3nnnn3Cc3ccco3)C3CCCC3)c(=O)[nH]c2c1C 1373137 ARRNOKPNXGPYLE-UHFFFAOYSA-N 432.528 3.718 0 40 IHAB COC(=O)COc1ccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)cc1C 1426001 WQKUTVKPXPFGDJ-UHFFFAOYSA-N 425.506 3.615 0 40 IHAB COC(=O)c1c(NC(=O)COC(=O)Cc2coc3cc(OC)ccc23)sc2c1CCC2 3333222 YMQJRIVPXBJIIB-UHFFFAOYSA-N 443.477 3.503 0 40 IHAB Cc1cc(C)c(NC(=O)COC(=O)c2cc(S(C)(=O)=O)ccc2Cl)c(Cl)c1 3555816 NGXXJRQVPZSENC-UHFFFAOYSA-N 430.309 3.809 0 40 IHAB CC(C)CN(CC(C)C)C(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2Cl)C1=O 3595034 RMXDAMJQTHTKMZ-FQEVSTJZSA-N 428.360 3.901 0 40 IHAB COc1ccccc1N1CCN(C(=O)[C@H](CC(C)C)NC(=O)C2CCC(C)CC2)CC1 4747602 ZXZRWOZBEAWKIL-CBNMVNINSA-N 429.605 3.701 0 40 IHAB COc1ccc2[nH]c(=O)c(CN(CCCN(C)C)C(=S)Nc3ccc(F)cc3)cc2c1 6198449 NYYPXIUXXBJIJG-UHFFFAOYSA-N 442.560 3.827 0 40 IHAB Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CCC[C@H](C)C3)cc2c1 6409362 CRTGYUWGNJSQHR-FDDCHVKYSA-N 428.540 3.693 0 40 IHAB COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(C)(C)C)cc3)c(=O)n2[C@@H]1c1ccccc1 8425825 FQKKRMLEYKXHRJ-GFCAVMEOSA-N 446.572 3.706 0 40 IHAB COc1ccc(C(=O)Nc2ccc(OCc3cc(=O)n4ccsc4n3)cc2)cc1OC 8603691 AWUYZTYXIUHOJS-UHFFFAOYSA-N 437.477 3.605 0 40 IHAB COC(=O)C1=NN(c2ccccc2)[C@]2(S1)SC(C(=O)OC)=C(C)N2c1ccccc1 9193103 JHMSDIZFWBASAP-NRFANRHFSA-N 441.534 3.996 0 40 IHAB CC[C@@H]1CCc2sc(C(=O)OCc3nc4cc(C(=O)OC)ccc4c(=O)[nH]3)cc2C1 9253954 IAPCPZIWKXCQAK-GFCCVEGCSA-N 426.494 3.643 0 40 IHAB COc1ccc(-c2noc([C@H]3CC(=O)N(c4ccc(OC)c(Cl)c4)C3)n2)c(OC)c1 9318505 PYBIEPOUTJMVQC-LBPRGKRZSA-N 429.860 3.936 0 40 IHAB COc1cc(NC(=O)COc2ccc3c(C)c(C)c(=O)oc3c2C)cc(OC)c1OC 9410353 JQRAGCAJLITEHF-UHFFFAOYSA-N 427.453 3.762 0 40 IHAB Nn1c(Cc2cccc3ccccc23)nnc1SCC(=O)Nc1ccc2c(c1)CCC2 9507513 FKBSEHLHEKTXPY-UHFFFAOYSA-N 429.549 3.955 0 40 IHAB COc1cccc(NC(=O)[C@H](Sc2nnnn2-c2ccc(O)cc2)c2ccccc2)c1 9512403 UXIGWMKYHUCTFH-HXUWFJFHSA-N 433.493 3.849 0 40 IHAB CSCC[C@H](NC(=O)CCNC(=O)c1ccccc1Cl)c1nc2ccccc2[nH]1 9662857 WRXQWTUTPGYSHI-SFHVURJKSA-N 430.961 3.947 0 40 IHAB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 9730473 CEVRJONXNUNPQY-UHFFFAOYSA-N 449.532 3.656 0 40 IHAB CCCCN1C(=O)c2ccc(C(=O)Nc3sc4c(c3C(N)=O)CC[C@H](C)C4)cc2C1=O 9961711 YRXIITIUAZSRLE-LBPRGKRZSA-N 439.537 3.620 0 40 IHAB CCNC(=O)NC(=O)CSc1nnc(-c2cccc(C)c2)n1-c1ccc(OCC)cc1 9980647 OKDBNXNPOWPJJV-UHFFFAOYSA-N 439.541 3.579 0 40 IHAB CCCn1cc(C(=O)Nc2ccc3c(c2)OCCO3)c2nn(-c3ccccc3)c(=O)c-2c1 10062667 HVQRUMFTSDRFBZ-UHFFFAOYSA-N 430.464 3.572 0 40 IHAB Oc1nnc(/C=C/c2ccccc2)c2c1Nc1nnnn1[C@@H]2c1cccc(Br)c1 10298077 GLXKLVWTPZYKKQ-QZEKMECESA-N 448.284 3.796 0 40 IHAB O=C(NCC(=O)N1CC=C(c2c[nH]c3ccccc23)CC1)c1cccc(OC(F)F)c1 11072064 GGEQIFDOGLDECQ-UHFFFAOYSA-N 425.435 3.815 0 40 IHAB C[C@@H]1CN(C(=O)[C@@H](C)SCc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)CCO1 11497268 AORWVYUTWCGTFF-ZIAGYGMSSA-N 429.567 3.521 0 40 IHAB Cc1cc(C)cc(-n2c(SCC(=O)N3CCCCCC3)nc3c(c2=O)SCC3)c1 12140528 YVNYIOJAYQTDDX-UHFFFAOYSA-N 429.611 3.992 0 40 IHAB CCOc1ccc(OCCC(=O)O[C@H](C)C(=O)c2ccc3c(c2)CCN3C(C)=O)cc1 12814726 IUQFPBKLFWMOHG-MRXNPFEDSA-N 425.481 3.578 0 40 IHAB Cc1ccc(NC(=O)CCCNC(=O)c2ccsc2)cc1I 12903829 VZEBYHDIEDOJKP-UHFFFAOYSA-N 428.295 3.810 0 40 IHAB CC(C)N(Cc1ccccc1)C(=O)CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 12911619 SJIQVQMAIQCYDL-UHFFFAOYSA-N 436.552 3.790 0 40 IHAB COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1 12995352 RJIQAJDGOKLAFS-QFIPXVFZSA-N 445.585 3.501 0 40 IHAB C[C@H]1CCCC[C@H]1NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 12996333 XEHVPXSKWPUMHJ-XHDPSFHLSA-N 426.888 3.674 0 40 IHAB C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc2c(c1)OCCO2 13117709 URTYTSAPEOMJCQ-KRWDZBQOSA-N 444.553 3.514 0 40 IHAB Cc1cc(NC(=O)Cc2csc(Cc3nnc4n3CCCCC4)n2)n(-c2ccccc2)n1 13149674 VILPJZLPQPMNPM-UHFFFAOYSA-N 447.568 3.727 0 40 IHAB Cn1c(=O)c2sc3c(c2n(Cc2ccc(Cl)cc2Cl)c1=O)COC(C)(C)C3 13609301 DDUAXHHBIJEAMN-UHFFFAOYSA-N 425.337 3.968 0 40 IHAB CCn1c(CC(=O)Nc2cc(C)cc(C)c2)nnc1SCC(=O)N[C@@H]1CCCC[C@@H]1C 13955977 WFWKNZLIKFWGFU-PKOBYXMFSA-N 443.617 3.883 0 40 IHAB CCS(=O)(=O)N(CC(=O)Nc1c(C)cccc1C(C)C)c1ccc2c(c1)OCCO2 14396206 LDAIIUGRKCNMKQ-UHFFFAOYSA-N 432.542 3.684 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)Nc2ccccc2SC)cc1 15391125 MBOXNQGPSQKEPU-MRXNPFEDSA-N 434.583 3.989 0 40 IHAB CS(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)cc1 16046907 ODRFHBOHFPOHGW-SFHVURJKSA-N 436.533 3.734 0 40 IHAB O=C(CSc1nc2ccccc2c(=O)n1Cc1ccco1)Nc1cccc2nsnc12 19078310 LLDVFBKDVPZGHJ-UHFFFAOYSA-N 449.517 3.773 0 40 IHAB CCCN1CCN(C(=O)c2ccnn2C)C[C@@H](Cc2ccccc2-c2ccc(C)cc2)C1=O 19503151 ZDAPHOHLRGBCME-HSZRJFAPSA-N 444.579 3.949 0 40 IHAB CN(C)C(=O)[C@]1(Cc2cccc(-c3ccc(F)cc3)c2)CCN(C(=O)Cc2cccnc2)C1 19580026 RUZNVDVJFLDMRF-MHZLTWQESA-N 445.538 3.980 0 40 IHAB Cc1nccn1CCC(=O)N1CCO[C@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 19693263 SLKCKHMDQBNDJO-SFHVURJKSA-N 445.445 3.658 0 40 IHAB Cc1cc(CSc2ccccc2)ccc1NC(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1 20450618 WDNOGUYVCAQUSJ-IBGZPJMESA-N 447.626 3.744 0 40 IHAB COc1ccc([C@H](CC(C)C)NS(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)cc1 20486285 ZUXVBVQPZRHRPO-FQEVSTJZSA-N 446.569 3.896 0 40 IHAB COc1ccc(N(CC(=O)NCc2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 22351364 HPPITIBFTKQEIM-UHFFFAOYSA-N 442.512 3.654 0 40 IHAB Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](C)c2ccc(F)cc2)cc1 22539501 MRTXNBJYLBJLNE-WZONZLPQSA-N 440.540 3.901 0 40 IHAB CCN(C(=O)COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1 22715859 GOLNECBDGSDJDS-UHFFFAOYSA-N 435.446 3.913 0 40 IHAB O=C(NCC(=O)N1CCN(Cc2cccs2)CC1)c1ccc(Oc2ccccc2)cc1 23736711 XEQHHKDJUTXTQJ-UHFFFAOYSA-N 435.549 3.615 0 40 IHAB COc1ccc2c(C)c(CCC(=O)N(C)[C@H](C)c3ccc(-n4cncn4)cc3)c(=O)oc2c1 27131882 WNYKIINVHBVBOS-QGZVFWFLSA-N 446.507 3.843 0 40 IHAB COc1ccc2c(C)c(CCC(=O)N(C)Cc3cnn(-c4ccccc4)c3)c(=O)oc2c1 27150710 PTCBNYNYUHTKGP-UHFFFAOYSA-N 431.492 3.887 0 40 IHAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)Nc2cccc(Cl)c2Cl)cc1 28209521 SQKAHWBWYPXNHE-OAHLLOKOSA-N 427.309 3.620 0 40 IHAB Cc1ccc(-c2csc3ncn(CCC(=O)NCc4cn5ccccc5n4)c(=O)c23)cc1 28834551 CJXDKBXUXKMQSQ-UHFFFAOYSA-N 443.532 3.788 0 40 IHAB CC(C)c1ccc(-n2cnnc2SCC(=O)NCCc2ccc3c(c2)OCCO3)cc1 31354850 KHLLEQAHPJQWAT-UHFFFAOYSA-N 438.553 3.613 0 40 IHAB C[C@@H](OC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)C(=O)c1ccc(F)cc1 32876725 UTUOIQXSRDXNQF-MRXNPFEDSA-N 433.501 3.819 0 40 IHAB Cc1cc2n(CC(=O)Nc3ccc(Br)cc3C)c(=O)c3ccccc3n2n1 32909166 XOVCWRYJDKCIPZ-UHFFFAOYSA-N 425.286 3.667 0 40 IHAB O=C1CN(/C=C(/c2ccc(Cl)cc2)S(=O)(=O)Cc2ccc(Cl)cc2)C(=S)N1 33406949 GCRFJQSLWJDEMU-SXGWCWSVSA-N 441.361 3.624 0 40 IHAB COc1c(C(=O)NC(C)C)cn(C)c1-c1nc2cc(NC(=O)c3ccco3)ccc2n1C 36369952 VWWFRLDCDJZHLH-UHFFFAOYSA-N 435.484 3.571 0 40 IHAB biogenic COc1ccc([C@@H]2CCCN2[C@H](C)C(=O)Nc2sc3c(c2C(N)=O)CCC3)c(OC)c1 36385404 ODSFLUYBWVYFPU-DYVFJYSZSA-N 443.569 3.517 0 40 IHAB COc1ccc([C@@H]2CC(O)=Nc3c2c(C)nn3-c2ccc3nncn3n2)cc1OCC(C)C 40268420 MPZITJKGAMXOHO-INIZCTEOSA-N 447.499 3.785 0 40 IHAB CC[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccc(C)cc1Cl)CC(=O)N2 40390657 WMIVTFULSPGBQU-KBPBESRZSA-N 443.935 3.565 0 40 IHAB C[C@H](NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc(S(C)(=O)=O)cc1 44857071 ZCLAYDYXWMPHNT-LPHOPBHVSA-N 434.989 3.833 0 40 IHAB Cc1c(NC(=O)CN[C@@H](c2ccccc2)c2cccs2)c(=O)n(-c2ccccc2)n1C 57383178 QZSGWPRENYJMJR-QHCPKHFHSA-N 432.549 3.864 0 40 IHAB CCn1c(SCC(=O)Nc2ccc(Br)c(C)c2)nc2cc(C)[nH]c2c1=O 57522079 KYLZNQTXOOIOBJ-UHFFFAOYSA-N 435.347 3.855 0 40 IHAB CCOC(=O)C[C@H](NC(=O)c1[nH]c(C)c(C(=O)OC(C)C)c1C)c1cccc(OC)c1 58018847 YYWHQYOAZPNBPS-SFHVURJKSA-N 430.501 3.630 0 40 IHAB O=C(Nc1ccc(Oc2cccc(Br)c2)nc1)c1cnc2n(c1=O)CCS2 58166671 MAJOMKTXCHPUSX-UHFFFAOYSA-N 445.298 3.551 0 40 IHAB O=C(Nc1ccc(-n2ccnc2)c(F)c1)c1occc1CS(=O)(=O)c1ccccc1 58175736 VVFDFANZCUIVJM-UHFFFAOYSA-N 425.441 3.831 0 40 IHAB CCOc1ccc(C(=O)OCC(=O)NCc2cccc(C(F)(F)F)c2)cc1OCC 67197656 YUJWWKBTQJHZOF-UHFFFAOYSA-N 425.403 3.976 0 40 IHAB COc1ccc(-n2nncc2CN2CCN(Cc3c(F)cccc3Cl)CC2)cc1F 90590540 STKHSAAIGREKHU-UHFFFAOYSA-N 433.890 3.525 0 40 IHAB COc1ccc(-c2noc(CN3CCN([C@H](C)C(=O)c4c[nH]c5ccccc45)CC3)n2)cc1 96941302 SAQWTBBLPSJKQR-QGZVFWFLSA-N 445.523 3.616 0 40 IHAB COc1ccc([C@H]2C=C(c3ccc(Cl)cc3)Nc3nc(N4C(=O)CCC4=O)nn32)cc1 100999065 GQTYNSLTQMNCRB-GOSISDBHSA-N 435.871 3.650 0 40 IHAB CC[C@@H](C(=O)NCCCN(C)c1ccccc1)N(c1cccc(Cl)c1)S(C)(=O)=O 219095686 ZXEPWXCHGJYPJB-FQEVSTJZSA-N 437.993 3.527 0 40 IHAB CC[C@H](C(=O)NCc1cccc(OC(C)C)c1)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220574759 NWTZAKWGBOFTSR-JOCHJYFZSA-N 432.586 3.952 0 40 IHAB CC[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O 220648839 NENQMESSCKHHSW-QGZVFWFLSA-N 430.448 3.897 0 40 IHAB CC[C@H](C(=O)N(C)Cc1ccc(OC)cc1)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O 220724882 XUXARFWKNYUSQH-HXUWFJFHSA-N 438.977 3.860 0 40 IHAB CCOc1ccc(N([C@@H](C)C(=O)NCc2cccc3ccccc23)S(C)(=O)=O)cc1 222840873 RVQROFCJQVGGFB-KRWDZBQOSA-N 426.538 3.709 0 40 IHAB COc1cccc(NS(=O)(=O)c2ccc(NS(=O)(=O)Cc3cccc(C)c3)cc2)c1 224547755 HNIQBQVBCGTMAA-UHFFFAOYSA-N 446.550 3.746 0 40 IHAB CCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc(OC)cc1 224556988 BOLIVJAEGYYQFM-QFIPXVFZSA-N 444.597 3.881 0 40 IHAB CC1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(N4CCCC4)cc3)c2)CC1 224928884 XAQCQJOJMYPVNO-UHFFFAOYSA-N 427.570 3.960 0 40 IHAB COc1ccc(NC(=O)C(C)(C)NS(=O)(=O)Cc2cc(F)ccc2Cl)cc1Cl 225923864 NLVGMGBSUGMEBO-UHFFFAOYSA-N 449.331 3.978 0 40 IHAB COC(=O)/C=C/c1cc(I)c(OC(=O)c2ccccc2)c(OC)c1 226364535 UGCIASYEANPMOU-CMDGGOBGSA-N 438.217 3.705 0 40 IHAB Cc1cc(CN2CCc3nc(N4CCC[C@@H](C)C4)nc(O)c3C2)c(C)n1C[C@@H]1CCCO1 257240757 HVBOCUMJMIUQOW-UTKZUKDTSA-N 439.604 3.574 0 40 IHAB CCS(=O)(=O)N1C[C@H](C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)Oc2ccccc21 260453076 DRDMEOJNLGYVAP-IIBYNOLFSA-N 430.570 3.779 0 40 IHAB O=C(COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)N1CCc2ccccc2C1 408528912 HOEWMYUNHXBOPI-UHFFFAOYSA-N 440.496 3.590 0 40 IHAB CC(C)CNC(=O)COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 408550194 BCICXTVALCIWFJ-UHFFFAOYSA-N 430.448 3.657 0 40 IHAB CCCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OCC)c(NC(C)=O)c2)cc1 408586593 PDBMRRYNAPKYET-UHFFFAOYSA-N 434.514 3.801 0 40 IHAB CC(C)(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 409205390 QCFIPGKFBMMWGV-UHFFFAOYSA-N 430.448 3.800 0 40 IHAB CC(C)(C)C(=O)Nc1nc(CC(=O)N[C@]2(Cc3ccc(Cl)cc3)CCOC2)cs1 500338897 WFURDVLWWXAZHE-NRFANRHFSA-N 435.977 3.842 0 40 IHAB O=C(c1ccc(C(F)(F)F)cc1)N1CCC[C@@H](Oc2ncc(Br)cn2)C1 575614259 XWMPODJMIPAXOP-CQSZACIVSA-N 430.224 3.942 0 40 IHAB CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NC(=O)c2ccc(Oc3ccccc3)nc2)s1 584787570 RSKSURKXQIAWFT-ZIAGYGMSSA-N 425.514 3.681 0 40 IHAB CNS(=O)(=O)c1cc(NC(=O)[C@@]2(Cc3cccc(OC)c3)C[C@H]3CC[C@H]2C3)ccc1C 605079722 BYDILRKRYDMEBK-JXQFQVJHSA-N 442.581 3.899 0 40 IHAB Cc1ccc(S(=O)(=O)c2c(N)n(CCN3CCCCC3)c3nc4ccccc4nc23)cc1 2266767 XWZYDCOEDHNBEC-UHFFFAOYSA-N 449.580 3.794 0 40 IHAB Cc1nn(Cc2ccccc2F)c(C)c1NS(=O)(=O)c1c(C)nn(C(F)F)c1C 2804240 OCKBRDNQNAKOOY-UHFFFAOYSA-N 427.452 3.697 0 40 IHAB COC[C@H](C)n1c(SCC(=O)N[C@H]2CCCc3ccccc32)nc2ccccc2c1=O 3396336 FDJNCCGJOWIIRN-JXFKEZNVSA-N 437.565 3.890 0 40 IHAB Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)OCc3cc(=O)n4ccsc4n3)cc12 3546127 OQOOMRZWYGNVMM-UHFFFAOYSA-N 440.481 3.961 0 40 IHAB CC[C@@](C)(C(=O)NC1CCCCC1)N(Cc1ccco1)C(=O)CNC(=O)c1ccccc1 4079238 OLYVBSNFFIAZHX-VWLOTQADSA-N 439.556 3.656 0 40 IHAB COc1ccc(OC)c(-c2cc(C(=O)Nc3sc4c(c3C(N)=O)CC[C@@H](C)C4)no2)c1 4176506 NCHFCLWWJAAMMQ-LLVKDONJSA-N 441.509 3.896 0 40 IHAB COc1cc(C=C(C(=O)NC2CCCCC2)C(=O)NC2CCCCC2)cc(OC)c1O 5417097 FNNSWRHRYBAOGF-UHFFFAOYSA-N 430.545 3.691 0 40 IHAB CC(=O)Nc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(C(=O)NC4CCCCC4)C2)C3)cc1 5437844 KQIHSPMECKEEIZ-AZUAARDMSA-N 448.567 3.935 0 40 IHAB biogenic,in-vitro Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)c(C)n1C(C)C 8209499 SAZBOHSOIVLPQU-UHFFFAOYSA-N 431.602 3.956 0 40 IHAB Cc1cccc(NS(=O)(=O)c2cc(NC(=O)Cc3cn4ccsc4n3)ccc2C)c1 8709804 CRWNRVIJKIDVCF-UHFFFAOYSA-N 440.550 3.995 0 40 IHAB Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N(C)CC(=O)NCc1ccco1 8754607 HTAXEEKISVSDBJ-UHFFFAOYSA-N 428.492 3.829 0 40 IHAB CCCC(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@@H]1c1cc(OC)ccc1OC 8778950 ZCIOGJOAQJMVJD-HXUWFJFHSA-N 445.541 3.553 0 40 IHAB COc1ccc(C(=O)Nc2ccc3c(c2)CN(C(=O)c2ccco2)CC3)c(OC)c1OC 9036534 QTXJTEJEBXDHSJ-UHFFFAOYSA-N 436.464 3.756 0 40 IHAB Cn1c(S[C@H]2CCCCN(C(=O)c3ccc(Cl)cc3)C2=O)nnc1-c1ccncc1 9125876 QLSCOMSSNWVOFV-KRWDZBQOSA-N 441.944 3.844 0 40 IHAB COc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)NCc2ccc(C)cc2)cc1Cl 9238646 FILXEVQQHXEUBN-RTBURBONSA-N 443.960 3.632 0 40 IHAB O=C(NCCCn1ccc2ccccc21)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 9376757 PJNITENJUBYNCH-UHFFFAOYSA-N 445.972 3.899 0 40 IHAB O=C(NCc1ccc(CN2CCCC2)cc1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 9377284 VVOOMRLAAHIQNS-OUKQBFOZSA-N 431.580 3.851 0 40 IHAB O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1cccc2ccccc12 9490945 QGNNSBSMEXYMLW-UHFFFAOYSA-N 430.913 3.766 0 40 IHAB O=C(COC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccccc1)NC1CCCCCC1 9540538 KMHCZNHHUSTUTR-HSZRJFAPSA-N 434.536 3.636 0 40 IHAB CCN(CC)c1ccc(NC(=O)N[C@@H]2CC(=O)N(c3ccc(OC)c(OC)c3)C2)c(C)c1 9568845 PKMOYBCRMIQNTA-QGZVFWFLSA-N 440.544 3.785 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccccc2)CCC3)cc1 9569472 PUKLFNIQNRWRAS-UHFFFAOYSA-N 442.562 3.937 0 40 IHAB COc1ccc(CCNC(=O)CSc2nnc3ccc(-c4ccc(C)cc4)nn23)cc1 9829105 PEJWUSCVNXICKZ-UHFFFAOYSA-N 433.537 3.559 0 40 IHAB CCCCNC(=O)NC(=O)CSc1nnc(-c2cc3c(s2)CC[C@@H](CC)C3)n1C 12214397 VYGDTEVWHKMRRG-CYBMUJFWSA-N 435.619 3.777 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc2)cc1 12548521 BAVSOFUELRCFRK-UHFFFAOYSA-N 440.477 3.520 0 40 IHAB COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)CCc2ccccc2)c1 12630241 RYLUFKIGMLGZEP-UHFFFAOYSA-N 426.494 3.773 0 40 IHAB CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H]3c3cccs3)CC2)c1 12682012 RTTJAKAPPBWHQY-FQEVSTJZSA-N 446.594 3.715 0 40 IHAB Cc1ccc(OCC(=O)N2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)c(C)c1 12770736 CXHGKRDZFXAIHD-UHFFFAOYSA-N 440.931 3.730 0 40 IHAB Cc1cc(Br)ccc1NC(=O)CN(C)[C@H](C)C(=O)Nc1ccc(Cl)cn1 12785388 YJMQBLACLMYQPX-GFCCVEGCSA-N 439.741 3.703 0 40 IHAB O=C(c1ccccc1)c1ccc(OCC(=O)N2CCC[C@H](c3nnc4ccccn34)C2)cc1 12793834 LCSMKNPMUIALSG-NRFANRHFSA-N 440.503 3.745 0 40 IHAB O=C(Nc1nc2c(s1)CCCCC2)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 12829150 JRUSIUZICURKEU-CQSZACIVSA-N 437.562 3.591 0 40 IHAB CS(=O)(=O)c1cccc(NC(=O)CN2CCc3sccc3[C@@H]2c2cccs2)c1 12886028 HYHFCYZHCBKWAW-HXUWFJFHSA-N 432.592 3.799 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(Cc3nc(-c4cccc(Cl)c4)no3)CC2)c(C)c1 12892933 WKRHOEDQMAZHTR-UHFFFAOYSA-N 446.960 3.513 0 40 IHAB CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C[C@H]1Sc2ccccc2NC1=O 12972264 HMVQLQAVZVRONV-MRXNPFEDSA-N 437.443 3.605 0 40 IHAB O=C([C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)N1CCCC1 12972303 IHVBVNSTSYXKCV-IBGZPJMESA-N 439.364 3.731 0 40 IHAB COc1ccc(OC)c(-n2c(SCC(=O)N[C@H](C)C(C)C)nc3ccccc3c2=O)c1 13146506 FOVVJHVMFBRWFY-OAHLLOKOSA-N 441.553 3.656 0 40 IHAB CN(C)c1ccc(C[C@@H]2[C@H](O)c3ccccc3S(=O)(=O)N2CCc2ccccc2)cc1 13691842 SCLJADJNGOUNQD-ILBGXUMGSA-N 436.577 3.644 0 40 IHAB CCOc1ccc(NC(=O)CCc2nc(-c3cc(OC)c(OC)c(OC)c3)no2)cc1 13811256 IVGMQXLRRNBBDF-UHFFFAOYSA-N 427.457 3.732 0 40 IHAB CCn1c(CC(=O)Nc2ccc(C)cc2)nnc1SCC(=O)N[C@@H]1CCCC[C@H]1C 13955769 OCTLHFYRVAEWDG-SJLPKXTDSA-N 429.590 3.575 0 40 IHAB CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)c1ncnc2sc(C)c(C)c12 14188059 NXTHBJZZJIOAJF-UHFFFAOYSA-N 425.514 3.588 0 40 IHAB CC(=O)Nc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)c1 14492227 VQBASJAOOWLUFP-UHFFFAOYSA-N 435.933 3.725 0 40 IHAB C[C@@H](OC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)C(=O)NCC1CCCCC1 16044331 DCSIWMPMCOYART-QGZVFWFLSA-N 448.519 3.725 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2nc(CCC(=O)N3CCc4ccccc43)cs2)cc1 16848664 WIMUEBHUSZYPHB-UHFFFAOYSA-N 427.551 3.774 0 40 IHAB CCCN1CCN(C(=O)c2ccn(C)n2)C[C@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 19502750 NUWXFGHGHYRZKW-NRFANRHFSA-N 448.542 3.780 0 40 IHAB CCNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)Cc2cccnc2)C1 19528926 CUNYMGDEHGABGS-RUZDIDTESA-N 433.577 3.950 0 40 IHAB Cc1nc(C2CCN(CC(=O)Nc3ccc4ncccc4c3)CC2)nc2c1CCCN2C 19706681 HXZWGJWMHBNFDG-UHFFFAOYSA-N 430.556 3.534 0 40 IHAB O=C1CCCC[C@@H]2[C@H](CCN2C(=O)c2cnccn2)N1Cc1cccc(C(F)(F)F)c1 19713801 MQOBKZSDMQHJKL-MOPGFXCFSA-N 432.446 3.681 0 40 IHAB Cc1nc(C2CCN(C(=O)Cc3ccc(F)cc3)CC2)nc2c1CCC(=O)N2CC(C)C 19739516 ZTKNEZLGNOLLAR-UHFFFAOYSA-N 438.547 3.808 0 40 IHAB COc1ccc2oc(C(=O)N3CCC[C@H](c4ncc(C(=O)N5CCCC5)c(C)n4)C3)cc2c1 19762996 ZMGLNRHMKCHMCF-KRWDZBQOSA-N 448.523 3.796 0 40 IHAB CCCCN(CC)c1nnnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3 19940191 DGMPHBVESCVDTA-UHFFFAOYSA-N 426.590 3.976 0 40 IHAB Cc1ccc(C)c(N(CC(=O)NCc2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1 20111410 PPBDEVTYRYOSNF-UHFFFAOYSA-N 426.513 3.954 0 40 IHAB Cc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCN2CCOCC2)cc1 20308739 JCAFZMOHALGGFP-HSZRJFAPSA-N 432.520 3.596 0 40 IHAB CCOc1ccccc1N(CC(=O)N(C)C1CCCC1)S(=O)(=O)c1ccc(C)cc1 20456021 VMOOAKVIIKVIBY-UHFFFAOYSA-N 430.570 3.990 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1)N1CCCC1 21113044 HVBRUAXPMPLKEJ-UHFFFAOYSA-N 427.570 3.958 0 40 IHAB CC(C)Oc1cccc(CNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c1 22342209 NOUASYGONQUDKF-UHFFFAOYSA-N 445.368 3.863 0 40 IHAB Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)NCc1ccccc1CN1CCCC1 24189568 KOGKWQDOQOQINO-UHFFFAOYSA-N 443.613 3.598 0 40 IHAB CNS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(N3CCCCC3)c3ccncc23)c1 24984160 VVPLGTPMXKUBNN-UHFFFAOYSA-N 438.553 3.694 0 40 IHAB C[C@@H](NC(=O)COC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1ccccc1 25048563 FFBRSIIIODGFSL-MRXNPFEDSA-N 434.492 3.650 0 40 IHAB Cc1occc(=O)c1OCc1ccc(-c2noc(C(=O)NCc3ccc(F)cc3)n2)cc1 32071127 CSNQDYYDOPXQOI-UHFFFAOYSA-N 435.411 3.646 0 40 IHAB CCN(Cc1ccc2c(c1)OCO2)C(=O)CSc1nnc(C2CC2)n1Cc1ccco1 32745216 DFAKHTMCIXFFAW-UHFFFAOYSA-N 440.525 3.666 0 40 IHAB COc1ccc2c(CNc3cccc(S(=O)(=O)N4CCCCC4)c3)cc(=O)oc2c1 33040206 ZTYYABKBXRYXEB-UHFFFAOYSA-N 428.510 3.588 0 40 IHAB CCn1c(Cc2ccccc2)nnc1[S@@](=O)CC(=O)Nc1cccc(C(F)(F)F)c1 35683089 BIWIWFCYHMFLPB-SSEXGKCCSA-N 436.459 3.654 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(C(=O)N(C)[C@H](C)c3ccncc3)cc2)cc1 40150139 XCJWVYWXMGDZPG-MRXNPFEDSA-N 425.510 3.724 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)c2ccsc2C(=O)NCc2ccc3c(c2)OCO3)cc1 44170420 KSCDBBXNJMRZHM-UHFFFAOYSA-N 444.534 3.540 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)N[C@H](C)c1ccc(F)cc1 44846870 GDRKYAGSTAEOOO-MRXNPFEDSA-N 434.533 3.746 0 40 IHAB Cc1ccccc1C(=O)NC(=S)Nc1ccc(N2CCN(C(=O)CC(C)C)CC2)cc1 57316282 GXLIOWAGBCPBGP-UHFFFAOYSA-N 438.597 3.817 0 40 IHAB COc1ccc(CNC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2-c2ccc(C)cc2)cc1 67237144 JGCQTYWHHFAKIH-UHFFFAOYSA-N 448.548 3.748 0 40 IHAB CN(C(=O)Cn1c(=O)cc(-c2nc(-c3cccnc3)no2)c2ccccc21)c1ccccc1 67318339 OUEONLOPMPUGMF-UHFFFAOYSA-N 437.459 3.777 0 40 IHAB Cc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccccc3C)c2C)c(Br)c1 67323512 VUKVFYHXDOGIMY-UHFFFAOYSA-N 442.317 3.857 0 40 IHAB CNC(=O)c1sc2ncccc2c1[C@H]1CN(Cc2cn(C(C)=O)c3ccccc23)CCO1 72383121 JCVVSKPFMCGHER-HXUWFJFHSA-N 448.548 3.844 0 40 IHAB CC(C)(C)c1ccccc1OCC(=O)Nc1cccc(S(=O)(=O)Nc2cn[nH]c2)c1 78992473 WNHBHKIOMTUULT-UHFFFAOYSA-N 428.514 3.526 0 40 IHAB CC(C)CCO[C@@H](C)C(=O)NC1CCN(CCOc2ccc(Br)cc2)CC1 84510675 LEWJPURUDAWITJ-KRWDZBQOSA-N 441.410 3.860 0 40 IHAB COc1cc(C)ccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 89623564 ODYKTMMGANUGCU-UHFFFAOYSA-N 432.542 3.586 0 40 IHAB COC(=O)c1nc(NC(=O)Cc2csc(-c3ccc(OC)c(OC)c3)n2)sc1C 96118618 ZDGZAQKZFDLVEU-UHFFFAOYSA-N 433.511 3.560 0 40 IHAB CSCC[C@H](NC(=O)c1cn(C(C)C)c(=O)c2ccccc12)c1nnc2ccccn12 96231974 GOWWYTVHNHYJKL-IBGZPJMESA-N 435.553 3.849 0 40 IHAB Cc1nn(-c2ccccc2)nc1C(=O)N[C@H](C)c1onc(-c2ccc(F)cc2)c1C(=O)O 96296957 GKPCWQRDLTVBAC-CYBMUJFWSA-N 435.415 3.559 0 40 IHAB biogenic,in-vitro COc1ccc(C(C)=O)cc1COC(=O)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 96448481 CZMQKDSBBLOTSK-KGENOOAVSA-N 444.447 3.886 0 40 IHAB C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)/N=c2/sc3ccccc3n2C)cc1 100860549 WOZNKNVKFIMBGB-UCMDFWOYSA-N 429.567 3.544 0 40 IHAB CNC(=O)NC(=O)[C@H](C)OC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccs1)CC2 104699849 PVBRULDDFBPVHE-BSHRGCEOSA-N 435.505 3.784 0 40 IHAB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](CC)N(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 219122380 HEOFNNRTTSONTI-OAQYLSRUSA-N 446.569 3.972 0 40 IHAB C[C@@H](CCc1ccccc1)NC(=O)CN(c1ccc(C(F)(F)F)cc1)S(C)(=O)=O 220046734 ISDLBFRXWJQOEK-HNNXBMFYSA-N 428.476 3.609 0 40 IHAB C[C@@H](C(=O)NCCSCc1ccccc1Cl)N(c1cccc(F)c1)S(C)(=O)=O 220468684 NDIHAERYCWSEOF-AWEZNQCLSA-N 444.981 3.683 0 40 IHAB OCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(C(F)(F)F)c1 223586315 OQURBSSLIKLRQJ-RBUKOAKNSA-N 432.471 3.856 0 40 IHAB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)[nH]2)cc1C 225283400 OCUFEIYMZCGZJI-VXKWHMMOSA-N 435.553 3.789 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N(C)c2ccc(F)cc2)cc1Cl 226067812 OBVQQHXFEAZIQY-UHFFFAOYSA-N 428.913 3.551 0 40 IHAB O=C(/C=C/c1ccc(Br)cc1)NC1CCN(c2ncnc3c2CCCC3)CC1 244933093 CAXMCTGYWWWQOI-UHFFFAOYSA-N 441.373 3.916 0 40 IHAB CCc1nccn1CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(C)=O)[C@H]2Cc1ccccc1 257238412 HKWVMNJMIDFHCS-RTCYWULBSA-N 448.611 3.837 0 40 IHAB Cc1cc(Nc2ccc(F)cc2)cc([C@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)n1 257300755 RVOWFYPKVBCULH-INIZCTEOSA-N 429.521 3.575 0 40 IHAB CCN(CC)C(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 408603227 FEIOFENITSMUPY-QFIPXVFZSA-N 439.581 3.935 0 40 IHAB COc1ccc(Cl)cc1NC(=O)CCCC(=O)OCC(=O)N[C@H](C)c1ccccc1 408643839 CIBQHHXVYJOZDE-OAHLLOKOSA-N 432.904 3.878 0 40 IHAB COc1cccc(N2C[C@H](C(=O)OCC(=O)Nc3cc(Cl)ccc3Cl)CC2=O)c1 408646462 PHRSVJQFQYCELH-GFCCVEGCSA-N 437.279 3.537 0 40 IHAB COCCNC(=O)c1nc(-c2ccc(Br)cc2)n(-c2cccc(C)c2C)n1 408692256 IPNZDQMNOSJSQI-UHFFFAOYSA-N 429.318 3.690 0 40 IHAB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)cc(OC)c1 409158191 KMVQWXJXWAQHHF-VCHYOVAHSA-N 426.494 3.996 0 40 IHAB COc1cc(OC)c(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc1Br 409222958 YGPBOBGTOJWOLD-CXUHLZMHSA-N 431.286 3.868 0 40 IHAB O=C1NC(=O)c2cc(C(=O)N3CCCCC[C@@H]3c3noc(-c4ccc(F)cc4)n3)ccc21 501830742 TZHMWXVHNANDOW-GOSISDBHSA-N 434.427 3.517 0 40 IHAB Cn1cc(CC(=O)N2CCC[C@H](COc3ncc(Br)cn3)C2)c2ccccc21 1775969975 VFGBNRAAMXHWKM-HNNXBMFYSA-N 443.345 3.591 0 40 IHAB COc1ccc(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2)C3=O)cc1 990612 KOPHQRCVYUPDKU-UHFFFAOYSA-N 429.428 3.844 0 40 IHAB COc1cc2c(cc1OC)[C@@H]1Cc3c(cnc4c(-c5ccsc5)cnn34)C(=O)N1CC2 1390389 PTMKTZCMJGNIOU-SFHVURJKSA-N 432.505 3.771 0 40 IHAB CSCC[C@H](NC(=O)[C@@H](C)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)O 3071214 GOJXFELDYVOARB-KUHUBIRLSA-N 441.505 3.550 0 40 IHAB biogenic CCOc1ccc(-n2c(SCC(=O)N3CCOCC3)nnc2-c2cccc(C)c2)cc1 3368177 JMJDOOUPZDDZDS-UHFFFAOYSA-N 438.553 3.592 0 40 IHAB CCSc1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)s1 3609039 QTWPKZSWTDCHPY-UHFFFAOYSA-N 434.568 3.728 0 40 IHAB CCN1CCC[C@@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=S)NCC(C)C 4217060 SDHVSIPYBFUEHI-OAQYLSRUSA-N 428.646 3.962 0 40 IHAB COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2ccccc2SCC(N)=O)cc1 8157238 FFQFUKNRWHETJD-FQEVSTJZSA-N 427.570 3.828 0 40 IHAB O=C1[C@H]2C3c4ccccc4C(Br)(c4ccccc43)[C@@H]2C(=O)N1Cc1cccnc1 8449607 APYWSEPQFKBQQR-ZRDDSIGQSA-N 445.316 3.980 0 40 IHAB CNC(=N)c1ccc(NC(=N)c2cccc(C(=N)Nc3ccc(C(=N)NC)cc3)c2)cc1 8626476 VTGCXWBEYAILBI-UHFFFAOYSA-N 426.528 3.651 0 40 IHAB NC(=O)NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)n1C[C@@H]1CCCO1 8666689 ODSJXDFQOLUBFT-SFHVURJKSA-N 436.537 3.683 0 40 IHAB CC[C@H]1C(=O)N(c2ccc(OC)cc2)C(=O)[C@H]2C(=O)Oc3ccc(Br)cc3[C@@H]21 8892145 GJLOQGZEOGPFMP-JLSDUUJJSA-N 444.281 3.676 0 40 IHAB COc1ccc(C(=O)N(Cc2ccc(-c3ccc(F)cc3)o2)[C@H]2CCS(=O)(=O)C2)cc1 9045942 VLOBXWLJXQEEEV-IBGZPJMESA-N 443.496 3.924 0 40 IHAB COc1ccc([C@@H]2CC(=O)N(c3cccc(Cl)c3)C3=C2C(=O)OC3)c(OC)c1OC 9186961 XLRIOUVWLCDZAH-HNNXBMFYSA-N 429.856 3.697 0 40 IHAB O=C(OCc1nc2c(oc3ccccc32)c(=O)[nH]1)C(O)(c1ccccc1)c1ccccc1 9245324 SKWSBSWBCWGNGN-UHFFFAOYSA-N 426.428 3.649 0 40 IHAB CN1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(OC(=O)c4cccs4)c2)N3)C1 9302086 PJNRYSAVQHQPGZ-GOSISDBHSA-N 425.535 3.871 0 40 IHAB aggregator CCCc1nnc(NC(=O)CSc2nnc(COc3c(C)cccc3C)n2C)s1 9302710 QRGIZTKKRVDLFS-UHFFFAOYSA-N 432.575 3.546 0 40 IHAB Cn1c(=O)c2c(-c3ccccc3)n3c(c2n(C)c1=O)[C@H](c1c(F)cccc1Cl)OCC3 9347863 BDVNQIOYIKWYPU-NRFANRHFSA-N 439.874 3.618 0 40 IHAB O=C(CSc1nnc(NC(=O)COc2ccc(Cl)cc2)s1)Nc1ccccc1 9364006 YRAHSZTXSUKKQR-UHFFFAOYSA-N 434.930 3.940 0 40 IHAB C[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccc(-n2cncn2)cc1 9377269 NQKYMHCFVIPXHZ-QFBILLFUSA-N 437.931 3.650 0 40 IHAB CC[C@H](Sc1nc2nccnc2c(=O)n1Cc1ccccc1)C(=O)Nc1ccccc1F 9405119 YOVXQEQKPMJVJM-SFHVURJKSA-N 449.511 3.883 0 40 IHAB COc1cccc(C(=O)c2cnc3sc(C(=O)NCc4ccc5c(c4)OCO5)c(C)n23)c1 9409619 COQISGAMSYTBLK-UHFFFAOYSA-N 449.488 3.603 0 40 IHAB CC(C)n1ncc2c(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc(-c3ccccc3)nc21 9417680 RRVJKALVEZOEJY-UHFFFAOYSA-N 443.507 3.870 0 40 IHAB C[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)NC1CCN(Cc2ccccc2)CC1 9449892 QEXWBIRRUXLCSK-SFHVURJKSA-N 446.547 3.830 0 40 IHAB O=C(NCCc1csc2nc(-c3ccc(F)cc3)nn12)C(=O)Nc1ccccc1Cl 9569007 LFNXTGMUOWWNSP-UHFFFAOYSA-N 443.891 3.548 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1-n1cccc1 9737758 GTLFXOKFYQRXBX-UHFFFAOYSA-N 447.520 3.966 0 40 IHAB C[C@H](Sc1nnc(C(F)(F)F)n1N)C(=O)Nc1ccc(OCc2ccccc2)cc1 9792801 ZXSIZSJPBRGMOZ-LBPRGKRZSA-N 437.447 3.709 0 40 IHAB CS(=O)(=O)N1CCc2cc(C(=O)NCCC(c3ccccc3)c3ccccc3)ccc21 9797558 COERZNLAMHIJPU-UHFFFAOYSA-N 434.561 3.961 0 40 IHAB C[C@H]1CCc2ccccc2N1C(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O 9990396 ZQTSNEYNHCPXPY-MRDQGFSESA-N 427.504 3.975 0 40 IHAB COCCCn1c(SCC(=O)N[C@H]2CCCC[C@H]2C)nc2cc(Cl)ccc2c1=O 11528006 ZKSKRFYDORXBHK-PBHICJAKSA-N 437.993 3.873 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCN=C2SCc2ccc(F)cc2)cc1 11757670 JHHAKYCSBMFBDP-UHFFFAOYSA-N 449.573 3.601 0 40 IHAB COCCCN1C(=O)c2[nH]nc(-c3cc(C)ccc3O)c2[C@H]1c1ccc(OC)c(OC)c1 11914919 REKKBVGHVFAUJK-HSZRJFAPSA-N 437.496 3.690 0 40 IHAB COc1cc(OC)c(C2=CCN(C(=O)CCc3ccc4c(c3)OCO4)CC2)c(OC)c1 11919038 YVYPZJZNWFRERQ-UHFFFAOYSA-N 425.481 3.690 0 40 IHAB Cc1nn([C@@H](C)CC(=O)N2CCC[C@@H](c3nc4ccccc4cc3C(N)=O)C2)c(C)c1C 12255839 UZMZFTIXSPGAAO-MGPUTAFESA-N 433.556 3.813 0 40 IHAB COc1ccc([C@H](C)NC(=O)c2ccc3c(c2)S(=O)(=O)N=C2CCCCCN23)cc1F 12553299 SAVOLZKEWIKXFQ-AWEZNQCLSA-N 445.516 3.807 0 40 IHAB Cc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc4c(c3)OCO4)c2)cc1F 12560757 ZVBPRVSYXBYQCE-UHFFFAOYSA-N 428.441 3.916 0 40 IHAB C[C@@H](C(=O)Nc1ccc(Br)cc1)N(C)Cc1ccccc1N1CCOCC1 12561547 JNOLAZQZUYUOLB-INIZCTEOSA-N 432.362 3.745 0 40 IHAB C[C@H](OC(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N(C)c1ccccc1 12805100 ITOZWMHTUPXCSA-NLMLHFBASA-N 438.568 3.789 0 40 IHAB CC(C)Sc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 12865281 RUQOKCUCRXBOCR-QGZVFWFLSA-N 434.583 3.897 0 40 IHAB CCC(C)(C)NC(=O)[C@H](c1ccco1)N(Cc1ccccc1F)C(=O)c1csnn1 12871946 WKUUSRYQPQLCHX-SFHVURJKSA-N 430.505 3.959 0 40 IHAB O=C(/C=C/c1c(Cl)cccc1Cl)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 12997044 QGARRDQJYBMMDS-MDZDMXLPSA-N 439.364 3.681 0 40 IHAB Fc1ccccc1[C@H](c1nnnn1Cc1ccco1)N1CCN(c2ccccc2F)CC1 13505107 QXRHWZDULXNDFH-JOCHJYFZSA-N 436.466 3.504 0 40 IHAB COc1cccc(/C=C(\NC(=O)c2ccccc2)C(=O)Nc2cc(C(=O)O)ccc2OC)c1 13575824 WJBZNIGPJHGXGN-STZFKDTASA-N 446.459 3.812 0 40 IHAB COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(Oc2ccccc2)cc1 13581008 VVEMHSZSZLBPKK-UHFFFAOYSA-N 444.484 3.886 0 40 IHAB O=S(=O)(NCc1ccc(OCc2ccc(F)cc2)cc1)c1ccc2c(c1)OCCO2 13649462 NJQUNDDMGWUBHH-UHFFFAOYSA-N 429.469 3.654 0 40 IHAB COC(=O)[C@@H](CC(C)C)NC(=O)CCN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc12 13955628 UOXXBXZFBJUJPO-VWNXMTODSA-N 447.535 3.807 0 40 IHAB C[C@H](OC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)C(=O)c1ccc(F)c(F)c1 14901876 MBVCNJNNLCJARQ-AWEZNQCLSA-N 447.459 3.601 0 40 IHAB COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1Cc1nc(-c2ccc(C)cc2)no1 15449515 PTKILRALUKIBIU-IBGZPJMESA-N 437.496 3.725 0 40 IHAB Cc1noc2nc([C@H]3CCCN(C(=O)c4ccc(C)n(C)c4=O)C3)cc(C(F)(F)F)c12 19131614 DKKIVXFFEIJOOI-ZDUSSCGKSA-N 434.418 3.577 0 40 IHAB Cc1cc(-c2cnc(NCCNC(=O)c3c(C)noc3C)nc2-c2ccc(C)s2)on1 19217418 FQUNVLXVPWZJGK-UHFFFAOYSA-N 438.513 3.924 0 40 IHAB O=C(c1cccs1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(Cc1cccs1)C2 19343687 MJZLESSYNDXLJD-SFHVURJKSA-N 440.594 3.819 0 40 IHAB CC(C)Nc1ncc(-c2ccncc2)c(C2CCN(C(=O)c3c(Cl)cnn3C)CC2)n1 19450275 HONWICGMGPYYIE-UHFFFAOYSA-N 439.951 3.766 0 40 IHAB CCc1nn(C)c(C(=O)N[C@H](Cc2c[nH]c3ccccc23)c2cc(N(C)C)nc(C)n2)c1C 19521036 JXYBJWCJJGXMJW-OAQYLSRUSA-N 445.571 3.650 0 40 IHAB CCN1CCN(C(=O)Cc2cccc(F)c2)C[C@@H](Cc2cccc(-c3cccnc3)c2)C1=O 19527550 ITQWEOVLZGHRFM-XMMPIXPASA-N 445.538 3.980 0 40 IHAB CCNC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)Cc2cccnc2)C1 19528934 WNMHAJUFVWZIOE-RUZDIDTESA-N 433.577 3.950 0 40 IHAB COc1cc(C)ccc1CN1CCO[C@@H](c2c(C(=O)NCCO)sc3ccccc23)C1 19697888 JRWJFXJOCRJKEC-HXUWFJFHSA-N 440.565 3.514 0 40 IHAB CNc1cc(CN(C)C(C)=O)nc([C@H]2CCCN2Cc2ccc(-c3ccccn3)cc2)n1 19760443 OJQWLXRSCKRCEY-HSZRJFAPSA-N 430.556 3.896 0 40 IHAB Cc1nc([C@H]2CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)ncc1C(=O)N1CCCCC1 19763167 VAUINKDGMVVSGD-IBGZPJMESA-N 445.567 3.841 0 40 IHAB Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1OCC(=O)NCc1ccc(F)cc1 20022350 AXSXTFFITZYESQ-UHFFFAOYSA-N 428.485 3.630 0 40 IHAB CCn1c(SCC(=O)Nc2ccc(I)cc2)nnc1C(C)C 20034403 CHOTUQUFRFYGDZ-UHFFFAOYSA-N 430.315 3.757 0 40 IHAB CCN(CC(=O)NCc1cccs1)C(=O)CSc1ccccc1Br 21738413 FTSJSQVPLMIZMH-UHFFFAOYSA-N 427.389 3.768 0 40 IHAB Cc1cccc(NC(=O)CN2CCN([C@@H](C)C(=O)Nc3ccc(Cl)cc3)CC2)c1C 22357525 VHGGPFCATDKJNU-SFHVURJKSA-N 428.964 3.540 0 40 IHAB C[C@H](O)CNCCNCc1cc(Br)ccc1OCc1ccccc1Cl 23469532 VAZDKIFGRYMKHV-AWEZNQCLSA-N 427.770 3.742 0 40 IHAB COc1ccc([C@@H](CNS(=O)(=O)c2ccccc2Br)N2CCCC2)cc1 23994260 GZAOSKGBMBBMNE-GOSISDBHSA-N 439.375 3.573 0 40 IHAB CS(=O)(=O)c1ccc(F)c(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c1 26542321 NFURPIXGCXFKST-UHFFFAOYSA-N 431.816 3.702 0 40 IHAB CCCCn1nc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c2ccccc2c1=O 27402761 NZUMXIUOJJELTH-FQEVSTJZSA-N 433.508 3.945 0 40 IHAB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 30866644 JBEBEBDVSGZXCT-CQSZACIVSA-N 431.901 3.942 0 40 IHAB CCN(CC)[C@H](C)CNC(=O)Nc1ccc(C)c(NC(=O)NC[C@@H](C)N(CC)CC)c1 31099370 ZWYVTDQQXFPBGO-RTBURBONSA-N 434.629 3.699 0 40 IHAB O=C(O)[C@H](c1c[nH]c2cc(F)ccc12)N1CCN(CCOc2ccc(Cl)cc2)CC1 32096240 BXSBEHCOMHCPIQ-NRFANRHFSA-N 431.895 3.783 0 40 IHAB CCc1ccc([C@@H](CNC(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)N(C)C)cc1 32734047 GJAROOXLKXSQPM-JTHBVZDNSA-N 425.548 3.659 0 40 IHAB O=C(Nn1cnc2scc(-c3cccs3)c2c1=O)[C@H]1Cc2cc(Cl)ccc2O1 32841537 PRTANMQWJNKPIM-CQSZACIVSA-N 429.910 3.914 0 40 IHAB O=C1c2ccccc2S(=O)(=O)N1CCSc1nc(-c2ccco2)nc2ccccc12 32868671 QWJMWJDYRAOOCW-UHFFFAOYSA-N 437.502 3.827 0 40 IHAB Cc1ccc2c(c1)cc(CN(C[C@H]1CCCO1)C(=O)Nc1cccc(F)c1)c1nnnn12 35311753 UNUNPDSTTWZVFW-HXUWFJFHSA-N 434.475 3.938 0 40 IHAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NCCCOCc3ccco3)c2)cc1 40017839 PSPOWCGGICXQGU-UHFFFAOYSA-N 428.510 3.726 0 40 IHAB C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CNC(=O)NCc1ccccc1 40040453 VQVMPUGZFJKVAB-LJQANCHMSA-N 444.535 3.958 0 40 IHAB COc1ccc(CC(=O)NCCN2C(=O)S/C(=C/c3ccc(Cl)cc3)C2=O)cc1 49313045 FNLNVFKPLUKHLP-LDADJPATSA-N 430.913 3.744 0 40 IHAB Cc1ccc(NC(=O)CN2CN(c3ccccc3)c3ncccc3S2(=O)=O)cc1Cl 49411377 LQZASSGSFCXLIA-UHFFFAOYSA-N 442.928 3.782 0 40 IHAB COc1ccc(Cl)cc1NC(=O)CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1 51316720 GNFMAADRXJNODK-UHFFFAOYSA-N 441.900 3.502 0 40 IHAB O=C(c1ccco1)N1CCN(Cc2nc(-c3ccc(OCc4ccccc4)cc3)no2)CC1 57427855 CGZBMPZVYUEQGE-UHFFFAOYSA-N 444.491 3.867 0 40 IHAB COc1ccccc1-n1c(SCC(=O)NC2CCCCC2)nc2ccsc2c1=O 57487587 OKLPJCCSGYXJSW-UHFFFAOYSA-N 429.567 3.997 0 40 IHAB COc1ccc([C@H](C)NC(=O)CCc2nc(-c3cc4ccc(C)cc4[nH]c3=O)no2)cc1 64789921 PXEJZKJTZCTVSL-HNNXBMFYSA-N 432.480 3.705 0 40 IHAB CC(=O)N(Cc1ccc(C)cc1)c1nc2ccccc2n(CC(=O)Nc2ccccc2)c1=O 64791345 XSLNHYSLAVWPDN-UHFFFAOYSA-N 440.503 3.897 0 40 IHAB CCN1CCN(C(=O)c2cnc(C)cn2)[C@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 72351933 KOHKLGYHRVKEGV-HSZRJFAPSA-N 432.499 3.507 0 40 IHAB CCN1CCN(Cc2cnc(C)c3oc(-c4cc(=O)oc5cc6c(cc45)OCO6)cc23)CC1 85876680 BYAZALNMEQVZPE-UHFFFAOYSA-N 447.491 3.776 0 40 IHAB biogenic COc1ccc([C@H]2CC(c3cc(OC)cc(OC)c3)=NN2C(=O)CCCC(=O)O)cc1 95532089 IDNXZOLYZGPHMM-OAQYLSRUSA-N 426.469 3.645 0 40 IHAB Cc1nc(-c2nc(C(=O)NCCc3ccccn3)c3ccccn23)cn1Cc1ccccc1 96155183 BIGMWSRQJNWGHL-UHFFFAOYSA-N 436.519 3.922 0 40 IHAB C[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 102085729 IOMNXXYDYIJDSE-NROUSUPJSA-N 438.833 3.739 0 40 IHAB C[C@@H](NC(=O)CSc1nnc(Cc2cccc3ccccc23)n1N)[C@@H]1C[C@H]2CC[C@H]1C2 108824051 ZMVFODQCPLMNCM-DFPKUZHUSA-N 435.597 3.769 0 40 IHAB CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@@H]1CC=CC(=O)O1 142993417 GUCBXWMBXKKNNW-UJGDBWEASA-N 445.516 3.687 0 40 IHAB COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1S(=O)(=O)c1c(Cl)cccc1Cl 206805752 XGCFUAFTLZWRIB-NHYWBVRUSA-N 448.299 3.516 0 40 IHAB C[C@@H](C(=O)Nc1ccccc1Br)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220444729 OQJFBFADXPKTGC-JTQLQIEISA-N 433.274 3.521 0 40 IHAB CC(C)CNS(=O)(=O)Cc1cccc(NC(=O)c2cc(-c3ccc(F)cc3)on2)c1 223231117 WXIRBSCBESFBFJ-UHFFFAOYSA-N 431.489 3.808 0 40 IHAB Cc1ccc(-c2noc(CN(C)S(=O)(=O)Cc3ccc(Br)cc3)n2)cc1 223653384 PYVRVTLEEATDGC-UHFFFAOYSA-N 436.331 3.769 0 40 IHAB CN(c1ccc(C(=O)NCCOc2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccccc1 223745035 YIPYLMQYMBMKPV-UHFFFAOYSA-N 444.940 3.974 0 40 IHAB COC(=O)c1cc(S(=O)(=O)Nc2nnc(SCc3ccccc3)s2)ccc1C 224483482 JQISNDDCVUMOGC-UHFFFAOYSA-N 435.552 3.726 0 40 IHAB CN(CC(=O)N[C@@H]1CC2(CCCCC2)Oc2ccccc21)S(=O)(=O)c1ccccc1 224486117 OUYGZCIPMJDLBY-HXUWFJFHSA-N 428.554 3.650 0 40 IHAB COC(=O)c1cc(S(=O)(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)ccc1Cl 225177566 CILXFMXUUTULOI-UHFFFAOYSA-N 440.930 3.885 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)C(C)C)c2cc(C)cc(C)c2)cc1OC 225194140 PJPHJLOWNKEJPB-SFHVURJKSA-N 448.585 3.677 0 40 IHAB Fc1ccc(CCCNC(=S)Nc2nc(N3CCCC3)cc(N3CCCC3)n2)cc1 225967451 BCDFUNWUUNLJEL-UHFFFAOYSA-N 428.581 3.735 0 40 IHAB COc1ccc(NC(=O)CN2C[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)cc1Cl 257259394 KYEKRUSWFUOQKQ-GMAHTHKFSA-N 430.932 3.737 0 40 IHAB O=C1C[C@H](C(=O)N2CCC(c3cncc(Nc4ccccn4)n3)CC2)C2(CCCCC2)O1 257265305 LYCUENPCFGCAHN-GOSISDBHSA-N 435.528 3.587 0 40 IHAB Cc1nc2ccc(NC(=O)CN3CCOC[C@H](Cc4ccc5ccncc5c4)C3)cc2[nH]1 257269803 MRKPFFCJQMSMIO-LJQANCHMSA-N 429.524 3.549 0 40 IHAB Cc1cc(-c2ccccc2)cc([C@@H]2CCCN(C(=O)c3cccc(S(N)(=O)=O)c3)C2)n1 257337619 YTOQEPHMUZVPJQ-HXUWFJFHSA-N 435.549 3.724 0 40 IHAB O=C1N(Cc2ccccc2)CCO[C@]12CN(Cc1ccc(F)cc1)C[C@H]2c1cccnc1 306130345 JDBLHQKLMNNDSU-AHWVRZQESA-N 431.511 3.618 0 40 IHAB O=C(c1ccoc1)N1CCC2(CC1)Oc1ccccc1-c1c2cnn1CCN1CCCC1 306132139 KZYMUHNULIBKID-UHFFFAOYSA-N 432.524 3.763 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3F)cc2)c(OC)c1 408564578 XFWUARRBMLHYBL-UHFFFAOYSA-N 430.457 3.896 0 40 IHAB CCc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)c2)cc1 408656847 JICXHLDXYJBVIH-BSWISCRUSA-N 446.503 3.580 0 40 IHAB CCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc(C)c2C)cc1 408661666 GPCXLFMEIWEORN-UHFFFAOYSA-N 440.496 3.771 0 40 IHAB Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(C(=O)Nn4c(C)ccc4C)cc3)CC2=O)c1 408687811 VDSBOTYXHFZNPN-FQEVSTJZSA-N 430.508 3.789 0 40 IHAB CCOC(=O)[C@]12CCCN(C(=O)c3ccccc3C)C[C@H]1CN(Cc1cccc(C)n1)C2 585108081 RCULISBOQOHKAZ-RLWLMLJZSA-N 435.568 3.616 0 40 IHAB O=C(CN1CCC(c2cn3cccc3c(Nc3ccccn3)n2)CC1)Nc1ccccc1F 585263643 XNHZCXBKNAFAKO-UHFFFAOYSA-N 444.514 4.430 0 40 IHAB O=C(O)c1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3)c(F)cc2F)c1 1772715285 PENXSNKSHBOCTC-UHFFFAOYSA-N 432.404 3.716 0 40 IHAB Cc1nc2ccccc2c(=O)n1CC1CCN(C(=O)c2ccc(Cn3ccnc3)cc2)CC1 1848638216 OLJDPWKGKGCXIL-UHFFFAOYSA-N 441.535 3.502 0 40 IHAB CCCNC(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@@H]1C[C@H]3O 1889002142 SPLJIHBLZKCRKF-MEUDGBQDSA-N 449.676 3.890 0 40 IHAB Cc1cc(C)c2cc(CN(CCCN3CCOCC3)C(=O)Nc3ccccc3)c(=O)[nH]c2c1 880326 ZEEOPOILFJIMKV-UHFFFAOYSA-N 448.567 3.901 0 40 IHAB O=C(CSc1nnc(CNc2ccc(F)cc2)n1C[C@H]1CCCO1)Nc1ccccc1 899871 LUYDAANLNWCVLU-LJQANCHMSA-N 441.532 3.939 0 40 IHAB CCc1ccc(OCc2nnc(SCC(=O)Nc3cc(OC)ccc3OC)n2C)cc1 933817 GHYXTXMPCKGREH-UHFFFAOYSA-N 442.541 3.705 0 40 IHAB Cc1cc(C(F)(F)F)nn1CCCNC(=S)Nc1cnn(Cc2ccc(F)cc2)c1 2728073 BLEMBFGZBAAWCW-UHFFFAOYSA-N 440.470 3.971 0 40 IHAB O=C1c2cccc3c(N4CCNCC4)ccc(c23)C(=O)N1c1ccc(Br)cc1 3015615 UPVMXSLKBCIYCY-UHFFFAOYSA-N 436.309 3.813 0 40 IHAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(I)cc3C)CC2=O)cc1 3084849 SQQSKKKCGZAMDI-AWEZNQCLSA-N 434.277 3.900 0 40 IHAB CCCCCCC(=O)N[C@H](Nc1ccc(S(N)(=O)=O)cc1)C(Cl)(Cl)Cl 3118661 XKVMANXZYUNASP-AWEZNQCLSA-N 430.785 3.529 0 40 IHAB COc1cc2c(c(OCC(=O)NC(C)C)c1)C(=O)O[C@@H](C)CCCC(=O)CCCCC2 4084868 YGWXPEQSLUJEKP-KRWDZBQOSA-N 433.545 4.000 0 40 IHAB biogenic Cc1cc(Br)ccc1NC(=O)CNC(=O)CCC(=O)c1ccc2c(c1)CCC2 8754172 JXQRPBGEFHMDTP-UHFFFAOYSA-N 443.341 3.964 0 40 IHAB O=C(OCc1ccc(Br)cc1F)c1cccc(S(=O)(=O)N2CCCC2)c1 8883320 XXVGGUKVRBUBPD-UHFFFAOYSA-N 442.306 3.730 0 40 IHAB O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc2c(c1)OCO2)c1cccs1 8920515 PIMDHKYNVCVQPX-GOSISDBHSA-N 433.489 3.938 0 40 IHAB O=C(CCc1ccccc1)N[C@@]1(C(F)(F)F)N=C(O)N(Cc2ccccc2Cl)C1=O 9048372 JVIWXRCHPASSOZ-LJQANCHMSA-N 439.821 3.604 0 40 IHAB COc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1S(=O)(=O)N1CCCCC1 9063809 XAZKCDKCGOJIED-GOSISDBHSA-N 430.570 3.621 0 40 IHAB C[C@@H]1CCCC[C@H]1NC(=O)CSc1nnc(-c2cc(Br)ccc2O)n1C 9226044 MNOMTZNJRFIDJS-BXUZGUMPSA-N 439.379 3.737 0 40 IHAB COc1cccc(NC(=O)CSc2cc(C(=O)c3nccn3C)c3ccccc3n2)c1 9373063 JIOLKVHLOCLFSX-UHFFFAOYSA-N 432.505 3.939 0 40 IHAB COc1ccc(OCCOc2ccc(/C=c3/sc4nc5ccccc5n4c3=O)cc2)cc1 9454363 GGLBHDZZFIUCKX-XQNSMLJCSA-N 444.512 3.923 0 40 IHAB CCn1c(S[C@@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)nnc1-c1cccs1 9643439 WDVMCUGYQUEFNI-LBPRGKRZSA-N 436.584 3.762 0 40 IHAB O=C(CSc1nnc(-c2cccs2)n1C1CC1)N1CCN(c2ccccc2)CC1 9672746 UWTYRRAONLVNDG-UHFFFAOYSA-N 425.583 3.782 0 40 IHAB COc1ccc(NC(=O)CSc2nccn(-c3ccc(F)c(F)c3)c2=O)cc1Cl 9761562 XPYVJYNUZGYEOY-UHFFFAOYSA-N 437.855 3.904 0 40 IHAB COC(=O)c1cccc(NC(=O)[C@@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c1 10440746 DDNKNVDOGMQXRT-LLVKDONJSA-N 445.324 3.573 0 40 IHAB CCn1/c(=N\C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)sc2cc(F)ccc21 11726382 WTPGZCWQGGPNKN-XTQSDGFTSA-N 447.557 3.778 0 40 IHAB CCc1nnc(NC(=O)[C@@H](CCSC)NC(=O)c2ccc(Cl)cc2Cl)s1 12634873 VQWOPIKLKBYNCH-GFCCVEGCSA-N 433.386 3.898 0 40 IHAB O=C(CN1CCC(c2nc3ccccc3s2)CC1)N[C@H]1CCN(Cc2ccccc2)C1 12732430 IPBJKKAZFNSJNP-NRFANRHFSA-N 434.609 3.866 0 40 IHAB O=C(COc1ccc(F)c(Cl)c1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 12798599 ZZBTTXFZUCIKBO-UHFFFAOYSA-N 426.897 3.671 0 40 IHAB COc1ccc(NC(C)=O)cc1S(=O)(=O)N[C@H](c1ccc(F)cc1)c1cccs1 12855432 PZEBEKILYVVXEF-HXUWFJFHSA-N 434.514 3.922 0 40 IHAB COc1ccc(Cl)cc1-c1nn(CN2CCN(C(=O)c3ccccc3)CC2)c(=S)[nH]1 12880606 YFWJYAIQWFIOLQ-UHFFFAOYSA-N 443.960 3.685 0 40 IHAB CS(=O)(=O)c1cccc(NC(=O)CN2CCc3sccc3[C@H]2c2ccccc2)c1 12929864 GPZOBYDGEWGJHC-JOCHJYFZSA-N 426.563 3.738 0 40 IHAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NC[C@@H](c1cccs1)N1CCOCC1 12981986 VEZMPDWVTHHJIJ-HNNXBMFYSA-N 435.615 3.906 0 40 IHAB O=C(C1CCN(S(=O)(=O)c2ccccc2F)CC1)N(Cc1ccc(F)cc1)C1CC1 12985628 UZBYXWBLMKMUNK-UHFFFAOYSA-N 434.508 3.557 0 40 IHAB CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)COc2ccccc2Cc2ccccc2)C1=O 13002819 HQOGIRVKJUSQPN-AREMUKBSSA-N 443.503 3.545 0 40 IHAB Cc1cccc(N(CC(=O)NC2CCCCC2)C(=O)CCC(=O)Nc2nccs2)c1 13501723 NVRWODSXNMANCV-UHFFFAOYSA-N 428.558 3.652 0 40 IHAB COc1ccc(-c2cc(NC(=O)/C=C/c3ccccc3)n([C@H]3CCS(=O)(=O)C3)n2)cc1 13685346 CTDZRTSYTMZKKS-UBIUBJKMSA-N 437.521 3.570 0 40 IHAB Cc1ccc(N([C@H](C)C(=O)NCCSCc2ccccc2C)S(C)(=O)=O)cc1C 14154278 OQINNHKDFPWOMS-LJQANCHMSA-N 434.627 3.816 0 40 IHAB CCOc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc1OC 14244469 CXNXCEWYCULAQM-UHFFFAOYSA-N 438.933 3.784 0 40 IHAB COc1ccc(CNC(=O)C[C@@H]2CCNC[C@@H]2Cc2cc(-c3ccc(F)cc3)on2)cc1 15673303 KEGVIRWFUKLBMI-PMACEKPBSA-N 437.515 3.964 0 40 IHAB biogenic,in-vitro O=C(O)c1ccc(CN2C[C@H](O)C[C@H]2c2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1 15675030 ZLCPDJNGSXUJPA-SJORKVTESA-N 433.386 3.762 0 40 IHAB biogenic,in-vitro COc1cc(OC)cc(-c2noc(Cn3ccn4nc(-c5ccc(C)cc5)cc4c3=O)n2)c1 16841974 JAFFEZFFUUKUNJ-UHFFFAOYSA-N 443.463 3.587 0 40 IHAB COc1ccc(NC(=S)NC(=O)c2cc(Br)cc(C)c2OC)c(OC)c1 17103115 NBTDGCSSDGCJLJ-UHFFFAOYSA-N 439.331 3.910 0 40 IHAB O=C(N/C(=C/c1ccccc1)C(=O)N1CCN(Cc2ccccc2)CC1)c1ccccc1 17176176 MVGDVOCCVZOLOI-LKUDQCMESA-N 425.532 3.802 0 40 IHAB CCOC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)cc1 18154851 UKHUTYLRVRVMRV-CALCHBBNSA-N 444.553 3.782 0 40 IHAB COc1ccc([C@H]2N(C(=O)Cn3c(C)cc4ccccc43)CCC[C@]23CCC(=O)N3)cc1 19126739 RHVYFJTVCQQJPV-FTJBHMTQSA-N 431.536 3.971 0 40 IHAB CCOc1ccc(CC(=O)N2CC[C@@](Cc3ccccc3-c3ccncc3)(C(N)=O)C2)cc1 19532780 AMSOQWBYRRFZBC-MHZLTWQESA-N 443.547 3.637 0 40 IHAB CCOC(=O)C1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@@H]1c1cccc(Br)c1 19633173 RTXJYCMWLJYYGM-HNNXBMFYSA-N 441.281 3.548 0 40 IHAB CC(C)Oc1ccc(CNC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 20047966 ZAJMWDFVNSSAFY-UHFFFAOYSA-N 445.368 3.863 0 40 IHAB Cc1ccc(N(CC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)cc1Cl 22337595 APGVRHANURDHJX-GOSISDBHSA-N 436.961 3.833 0 40 IHAB Cc1ccc(-c2noc(CN3CCN(Cc4cc(Cl)c5c(c4)OCO5)CC3)n2)cc1 22824381 SOZRWPKKXKMIRT-UHFFFAOYSA-N 426.904 3.745 0 40 IHAB CCCN(CC(=O)Nc1ccc(Br)c(C)c1)Cc1nc2ccsc2c(=O)[nH]1 24843300 SCPNFHKRQQAALB-UHFFFAOYSA-N 449.374 3.906 0 40 IHAB Cc1csc(-n2nc(C(=O)N3CCN(c4ccccn4)CC3)cc2-c2ccccc2)n1 25186211 SJSVXDUFQYGJGI-UHFFFAOYSA-N 430.537 3.662 0 40 IHAB COc1ccc(-c2nc(C(=O)O[C@@H](C(=O)N(C)C)c3ccccc3)cs2)cc1OC 25844120 PRAJNCIRXPTYFX-LJQANCHMSA-N 426.494 3.814 0 40 IHAB CN(Cc1cccs1)C(=O)COC(=O)Cc1csc(COc2ccc(F)cc2)n1 29005760 ZTBKBBTZPLGLFP-UHFFFAOYSA-N 434.514 3.667 0 40 IHAB O=C(c1ccc(F)cc1)N1CCN(C(=O)c2ccc(COc3ccc(F)cc3)o2)CC1 31190873 CJSRGMKAYUBJFA-UHFFFAOYSA-N 426.419 3.735 0 40 IHAB COC(=O)c1ccc(NC(=O)Cn2cnc3c(-c4ccc(F)cc4)csc3c2=O)cc1 38486564 LGOMHENZBLDTDX-UHFFFAOYSA-N 437.452 3.689 0 40 IHAB CCCCOc1ccc(C(=O)N[C@@H](CN2CCOCC2)c2ccc(OC)cc2)cc1OC 48304190 CEFGVCXBGJYWME-QFIPXVFZSA-N 442.556 3.686 0 40 IHAB COc1cccc([C@@H](CNS(=O)(=O)c2ccc(Br)cc2)N2CCCC2)c1 48375385 MJDZFMHRIPUAGD-LJQANCHMSA-N 439.375 3.573 0 40 IHAB COc1ccc(Cn2c(SCC(=O)NCCC(C)C)nc3ccsc3c2=O)cc1 57425924 ZAXXAXIYHBXVAJ-UHFFFAOYSA-N 431.583 3.769 0 40 IHAB CCOC(=O)C1=C(CN2CCc3ccccc3C2)NC(=O)N[C@@H]1c1ccccc1Cl 57478345 JCEWNOFOHDFXEU-OAQYLSRUSA-N 425.916 3.569 0 40 IHAB NS(=O)(=O)c1cccc(CNC(=O)COc2ccc(Cl)cc2C2CCCCC2)c1 71969912 DLLFCPYWNMCWMW-UHFFFAOYSA-N 436.961 3.730 0 40 IHAB O=C(CN1CCC[C@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1)N1CCOCC1 72348727 WGFZRAAQSXMCGY-SFHVURJKSA-N 433.474 3.806 0 40 IHAB COc1ccc2cc(C(=O)N3CCC[C@H](c4cc(C(F)(F)F)n5ncnc5n4)C3)[nH]c2c1 72393653 HKPGTMMTPBHION-ZDUSSCGKSA-N 444.417 3.653 0 40 IHAB COc1ccc(/C=C/C(=O)Nc2cccnc2-n2cc(Br)cn2)cc1OC 72406337 WFUWDJCIUVJFEQ-SOFGYWHQSA-N 429.274 3.699 0 40 IHAB CCCN(CC(=O)Nc1cccc(I)c1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C 84750352 SAZXOMCXQUIHQK-JQHSSLGASA-N 442.341 3.755 0 40 IHAB COCCNC(=O)C[C@@H]1CC2(CCN(C(=O)c3cccc(C)c3)CC2)Oc2ccccc21 96243122 LEQGPEFLBVWKCY-OAQYLSRUSA-N 436.552 3.689 0 40 IHAB COc1cc(C[C@H]2CC(c3sc4nc(C)cc(C)c4c3N)=NO2)c(OC)c2c1OCO2 96335742 SPXBHZMRXQYNLP-ZDUSSCGKSA-N 441.509 3.977 0 40 IHAB CCOC(=O)c1ccc(N2C(=O)C[C@H](Nc3ccc(OC(F)(F)Cl)cc3)C2=O)cc1 100099220 OVBWAYNHSDJTBX-INIZCTEOSA-N 438.814 3.775 0 40 IHAB COC(=O)c1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 102718165 ILJJGQCDYHLQGO-DNVJHFABSA-N 442.471 3.833 0 40 IHAB CCCCOc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc1OC 106758397 MJXOUCXPVYUNBP-RGEXLXHISA-N 432.542 3.923 0 40 IHAB COc1cc(OC)cc(OCC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NC(C)(C)C)c1 222772378 BTIXSNIJXDBGSX-GOSISDBHSA-N 442.556 3.723 0 40 IHAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccc(OC)c(OC)c1 223031065 GNAWSWRPEPVYJL-QHCPKHFHSA-N 446.547 3.632 0 40 IHAB CC[C@@H](NC(=O)CN(Cc1ccc(C)cc1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 223136800 MTAMEXPNZQCOMZ-HSZRJFAPSA-N 428.598 3.903 0 40 IHAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)COc1cc(OC)cc(OC)c1 223166367 BZEMOFPATGUXLA-QFIPXVFZSA-N 442.556 3.805 0 40 IHAB OCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1nc2ccccc2s1 223607534 SDPQRNNRNXWNJN-VQTJNVASSA-N 435.578 3.837 0 40 IHAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1OC 223889196 HNMKPLMODYOEAD-GXRAPOFBSA-N 426.538 3.841 0 40 IHAB CS(=O)(=O)Nc1ccc(C(=O)NCc2cccc(CN3CCCCC3)c2)c(Cl)c1 224681687 FASMBFUOSSKJGG-UHFFFAOYSA-N 435.977 3.627 0 40 IHAB CS(=O)(=O)N(Cc1ccc(C(=O)NCCOc2ccccc2)cc1)c1ccccc1F 224754299 VJFKODCBTZJBQN-UHFFFAOYSA-N 442.512 3.601 0 40 IHAB CC[C@H](C(=O)Nc1nnc(SC(C)C)s1)N(c1ccc(Cl)cc1)S(C)(=O)=O 224855652 ZJGSKZKJZJCMNO-CYBMUJFWSA-N 449.023 3.875 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=S)N[C@@H](C)c1ccc(F)cc1 225211310 KMOKCMNIVUBLFX-AWEZNQCLSA-N 437.562 3.666 0 40 IHAB CNC(=O)[C@@]1(c2ccccn2)CCCN(C(=O)c2cccc(OCc3cccc(F)c3)c2)C1 257233362 GOYFSWFOUMJZKL-SANMLTNESA-N 447.510 3.720 0 40 IHAB O=C1NCCN(C(=O)c2ccc3c(c2)CCCC3)[C@@H]1Cc1ccc(-c2ccncc2)cc1 257253576 JZKYRHSDBMHDTP-RUZDIDTESA-N 425.532 3.811 0 40 IHAB Cc1nc2cc([C@H]3CCCN3C(=O)C3CC3)nn2c(C)c1CCC(=O)N1CCCC[C@@H]1C 257274398 NKYLPAMBSXHOTG-KSFYIVLOSA-N 437.588 3.753 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)cc1 408622345 NGANOMDITMTDMU-UHFFFAOYSA-N 430.448 3.753 0 40 IHAB COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1cccc2ccccc12 409061043 ZSIUGMHNQVLIHY-STZFKDTASA-N 432.501 3.996 0 40 IHAB Cc1cccc([C@@H]2C(=O)NCCN2Cc2cn(-c3ccc(Br)cc3)nc2C)c1 575762273 NRXYMKVLORYFQF-OAQYLSRUSA-N 439.357 3.925 0 40 IHAB CCOC(=O)C[C@@H](O)CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1 611232110 OHZULFLMVWSPBB-GOSISDBHSA-N 431.945 3.918 0 40 IHAB COc1ccc([C@H](NCc2nc(N)nc(=Nc3ccccc3C)[nH]2)c2ccccc2)cc1 613908181 SHQFDTPWMFLEOG-HSZRJFAPSA-N 426.524 3.816 0 40 IHAB COC(=O)c1c(NC(=O)COc2ccc(Cl)cc2C)sc2c1[C@H](C(=O)OC)CC2 946446 QNVGNIFIJFWFSZ-GFCCVEGCSA-N 437.901 3.717 0 40 IHAB COc1ccc(NC(=O)[C@]2(N3CCC3=O)CC[C@H]3Cc4ccccc4C[C@@H]3C2)c(OC)c1 1410295 HARNOLVNZSGSSF-UNVFRBQDSA-N 434.536 3.829 0 40 IHAB O=C([C@H]1Cc2ccccc2CN1C(=O)c1ccccc1)N1CCN(c2ccccc2)CC1 2620821 NBYNBFGLAFTBPG-RUZDIDTESA-N 425.532 3.603 0 40 IHAB COCCNC(=O)COC(=O)c1cc(-c2ccc3cc(OC)ccc3c2)nc2ccccc12 2628880 ASUFBXNFKKAWKO-UHFFFAOYSA-N 444.487 3.983 0 40 IHAB CC(=O)Nc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(C(=O)c4ccccc4)C2)C3)cc1 5437710 BGGSWMAJHQGWBD-GHTZIAJQSA-N 427.504 3.733 0 40 IHAB biogenic,in-vitro O=C(CSc1cn(CCNC(=O)c2cccs2)c2ccccc12)NC[C@H]1CCCO1 6528986 MTYFPMXVVIGDEP-MRXNPFEDSA-N 443.594 3.520 0 40 IHAB COc1ccccc1/C=[N+]1\NC(=O)[C@H](NC(=O)c2cccc(C)c2)[C@@H]1c1ccc(Cl)cc1 8396293 MYVQODHDBOYLTR-WSBKAMHLSA-O 448.930 3.673 0 40 IHAB Cc1cc(-n2c(C)cc(/C=C/C(=O)N3CCC(n4c(=O)[nH]c5ccccc54)CC3)c2C)no1 8726108 IZBNQSYLQGPCNC-CMDGGOBGSA-N 445.523 3.910 0 40 IHAB CCn1c(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)nnc1[C@@H](C)NC(=O)c1ccccc1 8784368 VNVJYSAWHHDJHD-HUUCEWRRSA-N 448.552 3.879 0 40 IHAB COc1ccc(OCc2nnc(S[C@@H]3C[C@H](C)OC3=O)n2-c2ccccc2F)cc1 9205395 WMUGSACXVCHCSY-SCLBCKFNSA-N 429.473 3.790 0 40 IHAB CC(=O)Nc1ccc(NC(=O)CSc2nnc([C@@H](C)Oc3ccccc3)n2C)cc1 9303080 SFGCLFIUUGFHCY-CQSZACIVSA-N 425.514 3.644 0 40 IHAB Cc1c(Cl)cccc1N1CCn2c1nc1c2c(=O)n(C/C=C/c2ccccc2)c(=O)n1C 9518783 BUWFXNUKADSMIL-JXMROGBWSA-N 447.926 3.724 0 40 IHAB Cc1ccc(CNC(=O)CSc2nc(O)c3cnn(-c4cccc(C)c4C)c3n2)cc1 9521653 GOYAOMQSONBKDX-UHFFFAOYSA-N 433.537 3.855 0 40 IHAB COc1ccc(-c2nc3scc(CCNC(=O)c4ccccc4F)n3n2)cc1OC 9568919 OEMDDSGCMYVYRF-UHFFFAOYSA-N 426.473 3.587 0 40 IHAB CCOC(=O)c1ccc(Nc2nc(Nc3ccc(C)cc3)nc(N3CCOCC3)n2)cc1 9708854 UAHBYAIHGWYTNP-UHFFFAOYSA-N 434.500 3.681 0 40 IHAB COc1ccccc1N(CC(=O)NCCCc1ccccc1)S(=O)(=O)c1ccccc1 10110199 XCDZWGWFDDWNNM-UHFFFAOYSA-N 438.549 3.640 0 40 IHAB CCOC(=O)c1sc2nc([C@@H](C)Sc3nncn3-c3ccccc3)[nH]c(=O)c2c1C 11427743 UFLBTMGNGXEFHE-GFCCVEGCSA-N 441.538 3.904 0 40 IHAB C[C@H]1Cc2nc(SCC(=O)N3CCCCCC3)n(Cc3ccccc3)c(=O)c2S1 11726549 IDHVQCZNVFVQEL-INIZCTEOSA-N 429.611 3.823 0 40 IHAB CCc1c(C)sc2nc(SCC(=O)NC(C)(C)CC)n(C[C@@H]3CCCO3)c(=O)c12 11772208 HHYROZULARYDJA-AWEZNQCLSA-N 437.631 3.905 0 40 IHAB O=C(Nc1nc(CCC(=O)N2CCN(c3ccccc3F)CC2)cs1)c1cccs1 11796764 SMRAVKYJIUOPHL-UHFFFAOYSA-N 444.557 3.877 0 40 IHAB CC(C)(C)NC(=O)CSc1[nH]c(-c2ccccc2)nc1S(=O)(=O)c1ccccc1 12112463 OLCXEZLJICKCAV-UHFFFAOYSA-N 429.567 3.916 0 40 IHAB Cc1cc(C(F)(F)F)n2nc([C@@H]3CCCCN3C(=O)Cn3nc(C)c(C)c3C)cc2n1 12230289 OTQZVBRDOXUKKC-KRWDZBQOSA-N 434.466 3.932 0 40 IHAB COc1ccc2[nH]c(C)c(C(=O)CN3CCC(O)(Cn4cnc5ccccc54)CC3)c2c1 12234522 AHDVYPREYAPOCP-UHFFFAOYSA-N 432.524 3.544 0 40 IHAB CC(=O)c1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc(C(=O)O)c3)c2)cc1 12380161 KMDVUJHOMDWTAV-UHFFFAOYSA-N 438.461 3.641 0 40 IHAB CCOc1nn(CC)cc1-c1nnc(SCC(=O)Nc2ccc(C)c(Cl)c2)n1C 12422699 GJJQKTRILHWCDA-UHFFFAOYSA-N 434.953 3.790 0 40 IHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)COc2ccccc2)c1 12625616 MBOCYHZPDFXYMK-UHFFFAOYSA-N 440.521 3.928 0 40 IHAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1nn(-c2ccccc2)c(=O)c2ccccc12 12679995 SPRKVBCXDRMPIL-NRFANRHFSA-N 428.492 3.546 0 40 IHAB CC1CCN([C@H](CNC(=O)COc2cccc(N3CCCC3=O)c2)c2cccs2)CC1 12738866 CKIHOLNTCIHJNI-OAQYLSRUSA-N 441.597 3.843 0 40 IHAB Cc1cccc(-c2nnc(S)n2CC(=O)NCc2ccc(OCC(F)(F)F)cc2)c1 12791773 VWGWWUPBXBRBPE-UHFFFAOYSA-N 436.459 3.800 0 40 IHAB CC(C)c1cccc(C(C)C)c1NC(=O)Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O 12792374 NYIIXEOAMIZFDH-UHFFFAOYSA-N 445.585 3.518 0 40 IHAB COC(=O)c1ccc(CN(C)C(=O)c2ccc3c(=O)n4c(nc3c2)CCCCCC4)cc1 12867721 JYJKVHDYSLSTNH-UHFFFAOYSA-N 433.508 3.572 0 40 IHAB COc1ccc(C)cc1[C@H](C)NC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1 12917428 ZMXMQXYFQAJCSP-KRWDZBQOSA-N 426.538 3.703 0 40 IHAB C[C@@H](C(=O)O)n1c(S[C@H](C(=O)NC2CC2)c2ccc(F)cc2)nnc1-c1cccs1 13009610 SWNPJEBILKGFCT-ZBEGNZNMSA-N 446.529 3.903 0 40 IHAB CCOc1ccccc1NC(=O)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 13682670 SABRLQIDNIHGMQ-UHFFFAOYSA-N 430.570 3.698 0 40 IHAB COc1ccc([C@H](CNC(=O)/C=C/c2ccc(N3CCCC3=O)cc2)N2CCCC2)cc1 14373168 PJSRDGGKOFBWRG-ZJRYQZHFSA-N 433.552 3.789 0 40 IHAB CC[C@H](C)NC(=O)CSC1=N/C(=C/c2ccc(OC)cc2)C(=O)N1Cc1ccco1 16097466 DKZSCZZLERAGOG-UZUMKDMXSA-N 427.526 3.675 0 40 IHAB COc1ccc(Cl)cc1NC(=O)Cn1c(=O)c(N2CCCCC2)nc2ccccc21 16959590 VJSPZTKPZGXSDA-UHFFFAOYSA-N 426.904 3.688 0 40 IHAB Cc1c(I)cnn1CCC(=O)N(C)C12CC3CC(CC(C3)C1)C2 17095311 LTSGGBUWHKCTHT-UHFFFAOYSA-N 427.330 3.613 0 40 IHAB O=S(=O)(NCCc1csc2nc(-c3ccccc3)nn12)c1ccc2c(c1)CCCC2 17192331 UDFAMKMUMJCUBI-UHFFFAOYSA-N 438.578 3.858 0 40 IHAB Cc1cccc(C(=O)N2CCCC[C@H]2c2nc(O)c3c(n2)CN(Cc2ccncc2)CC3)c1 19234417 IOTBFLJYXWBAJO-QHCPKHFHSA-N 443.551 3.811 0 40 IHAB O=C(c1cccs1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(Cc1cccs1)C2 19343690 MJZLESSYNDXLJD-GOSISDBHSA-N 440.594 3.819 0 40 IHAB CCn1cc(C(=O)N2CCC(c3nc(NC4CC4)ncc3-c3ccncc3)CC2)c(C)n1 19524447 DHXDADBNQKTIPP-UHFFFAOYSA-N 431.544 3.658 0 40 IHAB CCNC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CCCN(C(=O)c2ccccn2)C1 19528643 RNHAHMYHZRGSMU-SANMLTNESA-N 428.536 3.745 0 40 IHAB COc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(Cl)ccc2O3)cc1OC 19559899 CSWLEDBZLRTTHX-MOPGFXCFSA-N 433.932 3.741 0 40 IHAB CC(C)(Oc1ccc(F)cc1)C(=O)N1CCC(c2ccc(C(=O)NCC3CC3)cn2)CC1 19708296 GOIXGSPTVLAALT-UHFFFAOYSA-N 439.531 3.924 0 40 IHAB Cc1nc(C2CCN(Cc3c[nH]nc3C(C)(C)C)CC2)nc2c1CCC(=O)N2CC1CC1 19739297 UCJVJKPWJAXMIT-UHFFFAOYSA-N 436.604 3.874 0 40 IHAB Cc1cccc(C)c1OCC(=O)N1CCO[C@@H](c2cc(C(=O)N(C)C)c3ccccc3n2)C1 19762118 ZBSDEGCBWLKSNF-HSZRJFAPSA-N 447.535 3.532 0 40 IHAB COC(=O)c1nc2n(n1)[C@H](c1ccccc1Cl)C(C(=O)OC1CCCCC1)=C(C)N2 20117113 WENCNENAEZSJDU-QGZVFWFLSA-N 430.892 3.883 0 40 IHAB CC(C)Oc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)C(F)(F)F)CC3)cc2)cc1 20529073 IEWOLHJLAQVKTH-UHFFFAOYSA-N 435.446 3.937 0 40 IHAB O=C(CN1CCN(Cc2c(-c3ccccc3)nc3sccn23)CC1)N1CCCCCC1 23248511 ZGUOVTOBDJTNSC-UHFFFAOYSA-N 437.613 3.583 0 40 IHAB COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C(F)(F)F)C2)cc1 24184117 XLJGPXIQVBFGFM-HNNXBMFYSA-N 442.459 3.911 0 40 IHAB CC(C)c1ccccc1NC(=O)[C@@H](C)Sc1nnc(CCC(N)=O)n1Cc1ccco1 24839403 MOJFIGOLADZNNY-OAHLLOKOSA-N 441.557 3.580 0 40 IHAB CCOc1cc(CNC[C@H](c2ccc(OC)cc2)N2CCOCC2)cc(Cl)c1OC 25262039 RCGAXOJKNVZWSO-OAQYLSRUSA-N 434.964 3.919 0 40 IHAB O=C(Cn1cnc2sc3c(c2c1=O)CCC3)N1N=C(c2ccco2)C[C@@H]1c1ccco1 25484375 WWCNWBSNKPDKEK-OAHLLOKOSA-N 434.477 3.511 0 40 IHAB Cc1cc(=O)n2nc(CSc3nccn3-c3ccc(Br)cc3)sc2n1 25742722 TUTCGEXUJYQNOU-UHFFFAOYSA-N 434.344 3.700 0 40 IHAB C[C@@]12CCC(=O)N1[C@H](C(=O)NCc1cn(-c3ccccc3)nc1-c1ccccc1)CS2 26069444 CWVHQSWFGOWVMF-GBXCKJPGSA-N 432.549 3.610 0 40 IHAB Cc1c(C(=O)N(C)C[C@H]2COc3ccccc3O2)cnn1-c1ccc(C(F)(F)F)cn1 30851993 DPLNZNPTOUJISB-HNNXBMFYSA-N 432.402 3.507 0 40 IHAB O=C(NCc1ccco1)[C@H]1CCCN1CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 31557916 JQCDEXZFPUPCCW-HSZRJFAPSA-N 441.547 3.861 0 40 IHAB Cc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc5c(c4)OCO5)cc3n2)cc1 32126330 YEAOJPLUMIKVKD-UHFFFAOYSA-N 445.504 3.893 0 40 IHAB Cc1sc2ncn(CCC(=O)Nc3cccc(OC[C@@H]4CCCO4)c3)c(=O)c2c1C 32776673 KXLUUHZKPPZJJR-SFHVURJKSA-N 427.526 3.661 0 40 IHAB CCN(CC)C(=O)COc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC3)cc1Cl 32814996 VXKWEWWWBXGMQJ-UHFFFAOYSA-N 436.961 3.877 0 40 IHAB CCOC(=O)c1ccc(OC[C@@H](O)CSc2nnc3sc4ccccc4n23)cc1 32854183 YPMLEVFLXOBXGX-CQSZACIVSA-N 429.523 3.653 0 40 IHAB CC(C)c1ccc(S(=O)(=O)c2c(C(=O)N3CCOCC3)cnc3ccc(F)cc23)cc1 33249302 SPSXVMSRBBFYTQ-UHFFFAOYSA-N 442.512 3.803 0 40 IHAB CCOc1cc(/C=C2\C(=O)N(c3ccccc3OC)C(=O)N=C2O)ccc1OC(=O)CC 33765689 XYIZYUUVGVFGNS-QINSGFPZSA-N 438.436 3.916 0 40 IHAB O=C(NCCNc1cnn(-c2ccccc2)c(=O)c1Cl)c1ccc(C(F)(F)F)cc1 45521805 QZXRIKBUAGCRNQ-UHFFFAOYSA-N 436.821 3.747 0 40 IHAB O=C(NCc1ccc(F)cc1Cl)c1nnn(Cc2cccc(F)c2)c1-n1cccc1 49002925 UGFPXAIVJSSATO-UHFFFAOYSA-N 427.842 3.979 0 40 IHAB COc1cc(NC(=O)Cn2nc(-c3cccc4ccccc34)ccc2=O)cc(OC)c1OC 49551211 GWJJXHAFPFOCMB-UHFFFAOYSA-N 445.475 3.728 0 40 IHAB CC(=O)Nc1cccc2c1CCN(c1cnn(-c3ccc(F)cc3F)c(=O)c1Cl)C2 59420681 RZMFFGKHDHZFCM-UHFFFAOYSA-N 430.842 3.685 0 40 IHAB O=C1C[C@H](C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)CN1Cc1ccccc1 60390596 YHCNIUXMGJDCHT-OALUTQOASA-N 435.549 3.857 0 40 IHAB COc1ccc(C)cc1NC(=O)CSc1nnc(-c2sc3ncccc3c2N)n1C 64370044 LEGHSRZXSGOKBL-UHFFFAOYSA-N 440.554 3.722 0 40 IHAB COCC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccc2nccnc2c1 65532340 QPYMTOANEXMUEM-IBGZPJMESA-N 425.286 3.716 0 40 IHAB COc1ccc([C@@H](C)NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2C(C)C)cc1OC 67319389 YNBREZQSQRPVJK-CQSZACIVSA-N 444.557 3.601 0 40 IHAB Cc1cc(-c2cnc(NC(C)C)nc2C2CCN(C(=O)c3cc(C4CC4)nn3C)CC2)on1 72337702 VQSBCRRPKQTNCP-UHFFFAOYSA-N 449.559 3.891 0 40 IHAB CCN1CCN(C(=O)Cc2ccccn2)[C@@H](Cc2ccc(-c3cccc(OC)c3)cc2)C1=O 72351464 WZCRXAYIKNURSO-VWLOTQADSA-N 443.547 3.602 0 40 IHAB Cc1cc(Cc2ccccc2Cl)cc([C@H]2CCCN(C(=O)CN3CCOCC3)C2)n1 72353957 QLGVJPJCGSWADB-NRFANRHFSA-N 427.976 3.672 0 40 IHAB NC(=O)c1sc2ccccc2c1C[C@H]1CCCCN1C(=O)c1cc(C(F)(F)F)[nH]n1 72370476 LNYXFQRYUGKDJW-LLVKDONJSA-N 436.459 3.980 0 40 IHAB COc1cc(C(=O)Nc2cccnc2-n2cc(Br)cn2)ccc1OC(F)F 72403720 PCRPGEOSTQMNIU-UHFFFAOYSA-N 439.216 3.892 0 40 IHAB CCCc1c(C(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)[nH]c(C)c1C(C)=O 84758789 XJFLRILVNLTODQ-UHFFFAOYSA-N 443.525 3.802 0 40 IHAB COCC1(C)CCN(c2cnn(CCOc3ccc(Cl)cc3)c(=O)c2Cl)CC1 95983785 HDHDLYUDHBXMQV-UHFFFAOYSA-N 426.344 3.882 0 40 IHAB COc1cccc(NC(=O)C(=O)[C@@H](C(=O)c2ccccc2F)[C@H]2OC(=O)c3ccccc32)c1 102922841 XVKZYGZINCKONL-OFNKIYASSA-N 447.418 3.753 0 40 IHAB CCCCN1C(=O)[C@H]2[C@H](C1=O)[C@H](C(=O)C(C)(C)C)N1c3c(ccc4cccnc34)C=C[C@H]21 103458954 SZVXYWDZONQOJK-NXWNEQKCSA-N 431.536 3.835 0 40 IHAB CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)COc2ccc(CC)cc2)CC1 107617186 FKYRIEDFAGAOAK-UHFFFAOYSA-N 429.948 3.979 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCC2)Cc2ccccc2)cc1C 108268454 FAANNLKIOSWMFT-UHFFFAOYSA-N 430.570 3.643 0 40 IHAB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)ccc1OCC(=O)O 214343328 HOKIVCLRNKKZOG-VCHYOVAHSA-N 431.441 3.924 0 40 IHAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1 216303435 DRNIHWXHHLOOSZ-KRWDZBQOSA-N 440.525 3.609 0 40 IHAB COc1ccc(OC)c(N([C@H](C)C(=O)Nc2ccccc2C(F)(F)F)S(C)(=O)=O)c1 220212980 ISNBSOICGUWPPQ-GFCCVEGCSA-N 446.447 3.516 0 40 IHAB CC[C@@H](C(=O)Nc1cc(C(=O)OC)ccc1C)N(c1cc(C)ccc1C)S(C)(=O)=O 220539637 XLHHIMNNWWFDAR-IBGZPJMESA-N 432.542 3.582 0 40 IHAB CC[C@@H](C(=O)Nc1ccc(Br)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O 220637493 JAQZGMYFYLDLIT-KRWDZBQOSA-N 441.347 3.641 0 40 IHAB C[C@H](NC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 222986087 XAQDOHSIRSRVSL-LSDHHAIUSA-N 436.524 3.876 0 40 IHAB COc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CCCN(C)C 223217521 XSGGOQPFQCSGEL-XZOQPEGZSA-N 435.597 3.805 0 40 IHAB CCOCCCNc1ccc(C(=O)OC)cc1S(=O)(=O)Nc1ccc(Cl)cc1 223416655 CYRMNEQDFZLXKQ-UHFFFAOYSA-N 426.922 3.766 0 40 IHAB COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(F)cc1 223731598 BHRLTMSYQMETJB-FCHUYYIVSA-N 438.528 3.937 0 40 IHAB CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1C(C)(C)C 224047762 VYAORANZPHDRAT-SFHVURJKSA-N 426.557 3.925 0 40 IHAB Cc1ccc([C@@H](C)NS(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)cc1C 225534403 XICONNNAZUVLSV-OAHLLOKOSA-N 430.555 3.755 0 40 IHAB CCSc1nnc(NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)s1 225860346 KIGQDQIDMPFLLG-UHFFFAOYSA-N 448.595 3.793 0 40 IHAB CCOC[C@]1(CN)[C@@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 252514264 BQPFAFUNMDBNGR-XUVXKRRUSA-N 438.387 3.679 0 40 IHAB Cc1cccnc1Nc1cncc(C2CCN(C(=O)[C@H]3CC(=O)Nc4ccccc43)CC2)n1 257211875 CAWYFMFBFMIJEK-IBGZPJMESA-N 442.523 3.756 0 40 IHAB O=C(NC1CCCC1)c1cc([C@H]2CCCCN2C(=O)c2cccc(Cn3cccn3)c2)n[nH]1 257289494 PYXAHXNHKLNOFF-HSZRJFAPSA-N 446.555 3.694 0 40 IHAB CC(C)c1cc(C(=O)N2CCNC(=O)[C@@H]2Cc2ccc(-c3cccc(F)c3F)cc2)[nH]n1 257309940 UCYMGWHFOFEOMN-NRFANRHFSA-N 438.478 3.662 0 40 IHAB O=C1O[C@@]2(CCN(C(=O)C3(Cc4ccccc4F)CCOCC3)C2)CN1c1ccccc1 257337295 YSFHTNDHZSGJLI-RUZDIDTESA-N 438.499 3.793 0 40 IHAB COc1ccc(C)cc1N(CC(=O)N[C@H](C)c1ccc2c(c1)CCCC2)S(C)(=O)=O 260830743 HGHMGFOFVLOFJE-QGZVFWFLSA-N 430.570 3.526 0 40 IHAB COc1ccc(N(CCCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)S(C)(=O)=O)cc1 260915106 CMJRZFHTCBNOFY-GOSISDBHSA-N 444.597 3.998 0 40 IHAB COc1ccc(N(CC(=O)Nc2cccc(OC(C)C)c2)S(C)(=O)=O)cc1Cl 408616729 HOGFCZODOHVZHU-UHFFFAOYSA-N 426.922 3.541 0 40 IHAB CCCCOC(=O)CN1C(=O)S/C(=C/c2cc(Br)ccc2OC)C1=O 409208144 BGTKBJQPNZZILB-NTEUORMPSA-N 428.304 3.837 0 40 IHAB CC1(C)CN([C@H](CNC(=O)Cn2cnc3ccccc32)c2ccc(Cl)cc2)CCO1 505413535 HPHPPVSXBGBYQC-OAQYLSRUSA-N 426.948 3.658 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(Cn3nc(-c4ccccc4)ccc3=O)CC2)cc1C 585147557 RWPRFJAVIUKEJO-UHFFFAOYSA-N 437.565 3.628 0 40 IHAB O=C(CN1CCC(O)(Cc2ccccc2F)CC1)N[C@H](c1ccccc1)c1nccs1 1116836629 GYYFTUTYYBTMIH-JOCHJYFZSA-N 439.556 3.557 0 40 IHAB O=C([C@H]1CCCN(c2ncc(C(F)(F)F)cc2Br)C1)N1CCSCC1 2086861353 GFJCQVHWDHDCQA-NSHDSACASA-N 438.313 3.655 0 40 IHAB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)Oc2ccc3ccc(=O)oc3c2)c2ccccc2)cc1 628069 CALAKCFBSGTYPW-HSZRJFAPSA-N 449.484 3.727 0 40 IHAB COc1ccc(NC(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccccc2)cc1 652968 ZIHGRCYKYVSERC-UHFFFAOYSA-N 426.494 3.538 0 40 IHAB CCOc1cc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SCCC(=O)N32)ccc1OC(C)=O 796095 JVDWLYDRTZWTLM-HXUWFJFHSA-N 446.525 3.612 0 40 IHAB O=C(NCc1ccccc1Cl)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 796813 RDKAHYLYKSUVTA-HNNXBMFYSA-N 427.353 3.711 0 40 IHAB CC[C@@H](C)N1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc(OC)c(OC)c2)C1=O 2154329 TWOWLNZKJAGDBM-LYWOYCCESA-N 447.535 3.669 0 40 IHAB biogenic C[C@@H](Cc1ccccc1)NC(=O)CSc1nc2sc3c(c2c(=O)n1C)CCCC3 2348820 RARGSHZRRUCCOQ-AWEZNQCLSA-N 427.595 3.713 0 40 IHAB COc1ccc(Br)cc1/C=c1\sc2nc(-c3cccc(Cl)c3)nn2c1=O 2361124 YAUVSBDVVZVPAX-DHDCSXOGSA-N 448.729 3.790 0 40 IHAB COc1cc(C(=O)Nc2ncc3c(n2)C[C@@H](c2ccc(C)cc2)CC3=O)cc(OC)c1OC 2377422 CELQMMHKSJXZKO-MRXNPFEDSA-N 447.491 3.976 0 40 IHAB CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(NC(C)=O)cc1 2452812 HBILZWYNYGNBLZ-UHFFFAOYSA-N 439.541 3.875 0 40 IHAB O=C(COC(=O)c1cncc(Br)c1)NC(c1ccccc1)c1ccccc1 3255609 PWEBOMWKZGJPDW-UHFFFAOYSA-N 425.282 3.907 0 40 IHAB CSc1nc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)cc2s1 3306226 LDAZQWRDNZOCOJ-LBPRGKRZSA-N 441.534 3.781 0 40 IHAB CCOC(=O)CN(c1sc(C)c(C)c1C(=O)OCC)S(=O)(=O)c1ccc(C)cc1 5084624 KMXJUNAXSPBADZ-UHFFFAOYSA-N 439.555 3.608 0 40 IHAB COc1ccc([C@H](CNC(=O)c2cc(OC)c(OC)c(OC)c2)N2CCCCC2)cc1 6937220 JNMDZLBHBAQUQO-FQEVSTJZSA-N 428.529 3.678 0 40 IHAB biogenic Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2N(C)CCc2ccccn2)cc1 8706611 VQHAOTDFYMJRIV-UHFFFAOYSA-N 433.537 3.813 0 40 IHAB COc1ccccc1NC(=O)C[C@H]1C(=O)Nc2ccccc2N1C(=O)c1ccc(C)cc1 8721763 NINZBTNQTZCGBQ-NRFANRHFSA-N 429.476 4.000 0 40 IHAB CS(=O)(=O)Nc1ccccc1C1=NN(C(=O)c2ccc(F)cc2)[C@H](c2ccco2)C1 9060555 FGYQFJIOWFWYJX-IBGZPJMESA-N 427.457 3.782 0 40 IHAB O=C(Nc1cccc(Cl)c1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 9136896 NPLZALUFTYXZFN-UHFFFAOYSA-N 430.313 3.658 0 40 IHAB O=C(COC(=O)C[C@H]1C[C@H]2CC[C@@H]1C2)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 9141180 RTUYVXZGDBSPCZ-ARFHVFGLSA-N 440.462 3.850 0 40 IHAB CN(C(=O)CSc1nncn1-c1ccccc1)c1ccccc1C(=O)NCc1ccco1 9155951 LKAVJUQFSAPZDR-UHFFFAOYSA-N 447.520 3.545 0 40 IHAB COc1ccc([C@H]2Nn3c(nnc3-c3ccccc3)S[C@@H]2C(=O)NCc2ccco2)cc1 9238863 ABUSZXOLQFQYOF-UXHICEINSA-N 447.520 3.622 0 40 IHAB C[C@H](NC(=O)c1ccccc1F)c1nnc(SCc2nnc(-c3ccccc3)o2)n1C 9327607 QSTQIZJVSKGZGX-ZDUSSCGKSA-N 438.488 3.788 0 40 IHAB COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccco2)ccc1N1CCCC1 9349100 OLMZRTBTHZQJOS-UHFFFAOYSA-N 441.509 3.942 0 40 IHAB CCCC1=C(C(=O)OCC)S[C@]2(SC(C(=O)OCC)=NN2c2ccccc2)N1C 9431009 PWTVRIVLZWUBTP-FQEVSTJZSA-N 435.571 3.981 0 40 IHAB COc1cc2c(=O)n(C3CCCCC3)c(=O)n(CC(=O)c3ccc(C)cc3)c2cc1OC 9435825 PPPATXXQEXEIJS-UHFFFAOYSA-N 436.508 3.877 0 40 IHAB CC[C@H](C)N(C(=O)CSc1nc2cc(Cl)ccc2s1)[C@@H]1CCS(=O)(=O)C1 9665752 JJOLBJYXRUYBPH-WCQYABFASA-N 433.020 3.856 0 40 IHAB COC(=O)c1ccc(NC(=O)CSc2nnc(C3CCCCC3)n2-n2cccc2)cc1 9738298 LEHXIJOWTHTTHB-UHFFFAOYSA-N 439.541 3.956 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)NC[C@H](c2cccs2)S(=O)(=O)c2cccs2)c1 9742697 NDRSHTRZWMSZMH-QGZVFWFLSA-N 441.621 3.920 0 40 IHAB CCOC(=O)c1ccc(N2CCN(C(C)=O)CC2)c(NC(=O)c2ccc3ccccc3c2)c1 9907916 XIWPDXZNUHOETN-UHFFFAOYSA-N 445.519 3.937 0 40 IHAB O=S(=O)(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1ccc2c(c1)OCCCO2 9908441 BGCZBMHALSVLPZ-UHFFFAOYSA-N 439.415 3.853 0 40 IHAB CC(C)C(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)c2cccc(CN3CCCC3=O)c2)cc1 10607873 RDKQTJNZBADHCQ-KRWDZBQOSA-N 436.508 3.832 0 40 IHAB COc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)ccc1OCc1ccccc1 10843737 ITBHWQJOYDVVFY-UHFFFAOYSA-N 426.513 3.967 0 40 IHAB Cc1ccc(-c2noc(CSc3nnc(N4CCCC4)n3C[C@H]3CCCO3)n2)cc1 10872528 ZFUGWHUKVAIYJA-QGZVFWFLSA-N 426.546 3.708 0 40 IHAB COc1cc(Br)c(CC(=O)N[C@@H](c2ccccc2)c2nccn2C)cc1OC 12507222 SYKUOBGFJRUDGY-FQEVSTJZSA-N 444.329 3.648 0 40 IHAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)cc1Br 12550075 FTRHYCDQBWRDED-CYBMUJFWSA-N 436.331 3.683 0 40 IHAB COCCCn1c(=O)c2ccccc2n2c(=S)n(CN3CCC[C@H]4CCCC[C@@H]43)nc12 12551037 QSKJGMVHFGKYON-MJGOQNOKSA-N 441.601 3.829 0 40 IHAB O=C(Nc1ccccc1N1CCCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 12557893 GZCKOJIHVUGCSK-SFHVURJKSA-N 445.560 3.855 0 40 IHAB Cc1ccc(-n2c(-c3ccccc3)nn(CN(C)[C@@H]3CCS(=O)(=O)C3)c2=S)cc1C 12588527 FUBSIMYTBDEBSI-HXUWFJFHSA-N 442.610 3.764 0 40 IHAB CN1CCN(c2ccc(NC(=O)CCCSc3nc4ccccc4s3)cn2)CC1 12613155 LTJMAMITKHIZSK-UHFFFAOYSA-N 427.599 3.954 0 40 IHAB COc1ccc([C@H]2CCCCCN2CC(=O)N2CCN(C(=O)c3cccs3)CC2)cc1 12684075 KJFKYJWMAAIVEH-OAQYLSRUSA-N 441.597 3.658 0 40 IHAB O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc(SC(F)F)cc1 12996731 QIGQVDXXYNCARG-UHFFFAOYSA-N 429.466 3.575 0 40 IHAB C[C@H]1CN(S(=O)(=O)c2cc(C(=O)Nc3ccc4c(c3)CCC4)ccc2Cl)C[C@@H](C)O1 13100990 ZMKVWPWSVYLSEZ-GASCZTMLSA-N 448.972 3.879 0 40 IHAB 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0 40 IHAB O=S(=O)(NC[C@@H](c1ccsc1)N1CCOCC1)c1ccc(-c2ccccc2)cc1 22767402 LUNUHDINJRQVCD-QFIPXVFZSA-N 428.579 3.767 0 40 IHAB CCc1ccc2nc(NC(=O)c3cccc(S(=O)(=O)NC[C@H]4CCCO4)c3)sc2c1 23054917 RJTZVPVAUKNKFO-MRXNPFEDSA-N 445.566 3.568 0 40 IHAB COc1ccc(CN(C(=O)COC(=O)COc2ccc(Br)cc2)C2CC2)cc1 27081502 XCBUWBUHJPJJPI-UHFFFAOYSA-N 448.313 3.571 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2ccc(OC(F)(F)F)cc2)s1 27833458 BDYDNHLAARKELU-UHFFFAOYSA-N 436.477 3.607 0 40 IHAB CCN(CC(=O)NCc1cccs1)C(=O)CSc1nc2ccccc2n1C(F)F 28452550 FWJQHSCWZKMIKR-UHFFFAOYSA-N 438.525 3.750 0 40 IHAB O=C(NCC(=O)N1CCN(Cc2ccc(-c3cccc(Cl)c3)s2)CC1)c1ccco1 30180868 UBNHHQJCZVDXMF-UHFFFAOYSA-N 443.956 3.736 0 40 IHAB Cc1cc(NC(=O)CN2C(=O)[C@@H](C)N(c3ccc(Cl)cc3)C2=O)n(-c2ccccc2)n1 31741713 ZHAOQCFUPDXCRY-OAHLLOKOSA-N 437.887 3.630 0 40 IHAB O=C(NCCSCc1ccc(Cl)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 32341466 PVDCYQCMMSWXPI-UHFFFAOYSA-N 439.002 3.788 0 40 IHAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CN[C@@H](C)c1ccc(F)cc1)n2CCC(C)C 32753391 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CCN(CC(=O)Nc1ccc(OC)cc1OC)S(=O)(=O)c1ccc2ccccc2c1 39986892 FSTJOTJIWKKGFV-UHFFFAOYSA-N 428.510 3.506 0 40 IHAB Cc1ccn2c(NC(=O)Cc3nc4nc(C)cc(C)n4n3)c(-c3ccc(F)cc3)nc2c1 40130973 LBTRSAHXNLJXJS-UHFFFAOYSA-N 429.459 3.685 0 40 IHAB CCOC(=O)[C@H]1CCCN(C(=O)Cn2cccc2-c2nc(-c3cccc(Cl)c3)no2)C1 57487290 ASFNLFQPQYOBSC-INIZCTEOSA-N 442.903 3.660 0 40 IHAB Cc1cc(=O)n(CC(=O)Nc2ccc(Br)cc2F)c(Nc2cccc(F)c2)n1 57506198 PSXZYMRZDHPGHJ-UHFFFAOYSA-N 449.255 3.975 0 40 IHAB Cc1c(-c2nc(-c3cccs3)no2)oc2ccc(S(=O)(=O)N3CCOCC3)cc12 64948513 MDXXWRURTYOQNM-UHFFFAOYSA-N 431.495 3.541 0 40 IHAB CC[C@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCc1nccn1CC(F)(F)F 65562561 QASOAMNKNIBUBX-LRDDRELGSA-N 431.842 3.987 0 40 IHAB O=C1C[C@H](c2ccccc2)N(C(=O)c2cc3c(F)cc(Br)cc3[nH]2)CCN1 69372453 OLMQMOIYTQOTPY-GOSISDBHSA-N 430.277 3.773 0 40 IHAB CCOC(=O)c1sc(NC(=O)CN(C)[C@@H](c2cccc(F)c2)c2cnn(C)c2)cc1C 72282603 GZDLIOYFMGPUDV-FQEVSTJZSA-N 444.532 3.766 0 40 IHAB Cc1c(CN2CCC3(CC2)Nc2ccccc2C2=NCCN23)cnn1Cc1ccccc1 72327169 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Cc1nc(-c2cc(C(=O)NCCc3cccnc3)c3ccccn23)cn1Cc1cccnc1 96266824 KRAULUFMQZTGTC-UHFFFAOYSA-N 436.519 3.922 0 40 IHAB CC(=O)NC[C@H]1CC[C@H](c2c(C(=O)NCc3noc(C)n3)sc3ccccc32)CC1 100658090 IUMQBNUNKLSHKL-IYBDPMFKSA-N 426.542 3.933 0 40 IHAB COC(=O)c1ccc(N2C(=O)[C@H]3ON(c4ccccc4C)[C@@H](c4ccc(C)o4)[C@@H]3C2=O)cc1 102914496 OCZMTJMEJFNJHE-FKBYEOEOSA-N 446.459 3.734 0 40 IHAB COC[C@@]1(C(N)=S)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(Cl)c1 218622697 SFGHIZLBYZSJPD-BQFCYCMXSA-N 430.378 3.852 0 40 IHAB CCOc1ccc(CNC(=O)[C@H](CC)N(c2ccc(C)cc2)S(C)(=O)=O)cc1OCC 219095947 FPEXVJLKIWSPES-FQEVSTJZSA-N 448.585 3.653 0 40 IHAB CC[C@@H](NC(=O)CN(c1cccc(OC(C)C)c1)S(C)(=O)=O)c1ccc(OC)cc1 220113202 MKUCHNGYYLLXLL-OAQYLSRUSA-N 434.558 3.516 0 40 IHAB CC[C@H](NC(=O)[C@@H](C)N(c1ccc(OC)c(OC)c1)S(C)(=O)=O)c1ccc(C)cc1C 220242851 WCVUOJRMBONLCU-XLIONFOSSA-N 448.585 3.743 0 40 IHAB Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)NCCCN3CCC[C@@H](C)C3)c2)c1 224142683 RQROSMYUFRIOKV-HXUWFJFHSA-N 443.613 3.672 0 40 IHAB 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Cc1ccc([C@H]2[C@@H](NC(=O)c3ccc(Cl)cc3)C(=O)N/[N+]2=C\c2ccc(F)cc2)cc1 409060247 ZZHPLGYBJQNRIN-VTPLCQIWSA-O 436.894 3.804 0 40 IHAB Cc1ccc(C)c(NC(=O)COc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)c1 409120687 RTQSVVAXIBBVNJ-UHFFFAOYSA-N 438.549 3.842 0 40 IHAB Cc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3c(C)cc(C)cc3C)n2C)c1 409347750 QWIZHCQQLUFJIV-UHFFFAOYSA-N 437.569 3.710 0 40 IHAB COc1ccc(CCOc2c(OC)cccc2[C@H]2CC(=O)Oc3cc(C)n(C)c(=O)c32)cc1 524731398 VYOANKYOYLEXAS-HXUWFJFHSA-N 449.503 3.773 0 40 IHAB biogenic Cc1cc(NC(=O)N2CC=C(c3cccc4ccccc34)C2)n([C@H]2CCS(=O)(=O)C2)n1 541066382 AAUWWWJYSYCTSL-IBGZPJMESA-N 436.537 3.635 0 40 IHAB CC(=O)N1CC[C@H]2CC[C@@H](CN(C(=O)C3CC3)Cc3ccccc31)N2Cc1ccncc1 643577511 PLPCOKQJHVPCCR-RPWUZVMVSA-N 432.568 3.610 0 40 IHAB CC(C)(NC(=O)c1ccc(F)cc1)C(=O)N1CCOC[C@@H](Cc2cccc3cccnc23)C1 1848352787 QABQSPOKPLCYSY-SFHVURJKSA-N 449.526 3.600 0 40 IHAB Cc1ccccc1N1CCN(C(=O)c2ccccc2NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)CC1 627449 IOWZLWSWIYORIW-UXHICEINSA-N 447.535 3.563 0 40 IHAB COc1ccc(S(=O)(=O)N2CCS[C@@H]2c2ccc(OC)c(Br)c2)cc1 713074 IOPZZFSGSALNFY-QGZVFWFLSA-N 444.372 3.903 0 40 IHAB CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3Cl)cc2)CC1 4121698 NSBRBTBGPZXFHN-UHFFFAOYSA-N 430.961 3.525 0 40 IHAB CN(C[C@H](O)COc1ccc(OC[C@H](O)CN(C)C2CCCCC2)cc1)C1CCCCC1 4328600 YZKSALQYGMMYST-PSWAGMNNSA-N 448.648 3.695 0 40 IHAB CCN(c1ccc(Cl)cc1)S(=O)(=O)c1nnc(NC(=O)C2CCCCC2)s1 8588195 OSRYLRIJWTWCDV-UHFFFAOYSA-N 428.967 3.926 0 40 IHAB Cc1nonc1NC(=O)CSc1nnc(-c2ccoc2C)n1-c1cccc(Cl)c1 8677106 KBVVCNVATZZJEA-UHFFFAOYSA-N 430.877 3.911 0 40 IHAB CCOc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)NCc3ccco3)CC2=O)cc1 8707421 RMMITGYKKLJSDN-QGZVFWFLSA-N 447.491 3.600 0 40 IHAB C[C@H](NC(=O)CN1C(=O)N[C@]2(CCCc3sccc32)C1=O)c1cccc2ccccc12 8770999 BMUNLFIZXPIRBM-OWJWWREXSA-N 433.533 3.862 0 40 IHAB CCCn1c(NC(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)nc2ccccc21 9112519 FDGYIKUSCMXOQK-CMJOXMDJSA-N 425.533 3.522 0 40 IHAB CCCn1c(NC(=O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)nc2ccccc21 9112520 FDGYIKUSCMXOQK-IQMFZBJNSA-N 425.533 3.522 0 40 IHAB Cc1nn(-c2ccc(C(=O)OCC(=O)c3ccc4c(c3)OCCO4)cc2)c(C)c1Cl 9248610 TWJCUQCSSZKBLQ-UHFFFAOYSA-N 426.856 3.953 0 40 IHAB O=C(CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)N(Cc1ccco1)C1=CCCCC1 9389670 MDAXBKARORAANE-QFIPXVFZSA-N 446.507 3.711 0 40 IHAB CC[C@H](C)n1cc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)c2ccccc21 9464071 MYCGNJGPUGLLFT-CCRNYGKSSA-N 427.526 3.507 0 40 IHAB C[C@H](c1nc2ccccc2s1)N(C)CC(=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 9502830 OVNONBJEWCHLPN-SJLPKXTDSA-N 443.594 3.509 0 40 IHAB CC(C)CNC(=O)NC(=O)COC(=O)c1ccccc1CSc1nc2ccccc2o1 9556003 JPTVBILDSJJLQY-UHFFFAOYSA-N 441.509 3.759 0 40 IHAB CCN1CCN(c2ccc(NC(=O)CN(C)Cc3ccccc3N3CCCCC3)cc2)CC1 9604528 BYRPDTXCXXGZRM-UHFFFAOYSA-N 449.643 3.889 0 40 IHAB Cc1cccc(-n2c(SCc3ccc(-n4cccn4)cc3)nnc2N2CCOCC2)c1 9616777 UOTXCDMSDYZKDJ-UHFFFAOYSA-N 432.553 3.890 0 40 IHAB CCN(C(=O)c1ccc(C2CCCCC2)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 9712984 PIMFPAMWZIJPLK-UHFFFAOYSA-N 446.551 3.882 0 40 IHAB Cc1ccc(CNC(=O)COc2ccc(S(=O)(=O)N[C@H](C)c3ccccc3)cc2)cc1 9805350 NVFZULUAGGZWOF-LJQANCHMSA-N 438.549 3.730 0 40 IHAB Cc1ccc2cccc(OC(=O)c3cc(S(=O)(=O)N(C)C)ccc3N3CCCC3)c2n1 9833328 PHUPMBVURUFPJV-UHFFFAOYSA-N 439.537 3.613 0 40 IHAB C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)N1CCc2[nH]c3ccccc3c2C1 9901121 UUWNVASHFMXNQN-CYBMUJFWSA-N 426.314 3.634 0 40 IHAB COc1cccc(CNC(=O)COC(=O)c2c(C)nn(Cc3ccccc3Cl)c2C)c1 9988217 LKLXYFSRGNKNSN-UHFFFAOYSA-N 441.915 3.683 0 40 IHAB COc1ccc(OC[C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 10112619 HAHTZQRPNFBZIX-QGZVFWFLSA-N 440.521 3.693 0 40 IHAB CCn1c(CC(=O)Nc2ccccc2F)nnc1SCC(=O)Nc1cc(F)ccc1F 10137576 AOLISUIQCFVRQC-UHFFFAOYSA-N 449.458 3.627 0 40 IHAB Cc1ccc(Cl)cc1N(CCCC(=O)Nc1ccc2c(c1)OCCO2)S(C)(=O)=O 10659833 DTZRORDZDPADLN-UHFFFAOYSA-N 438.933 3.605 0 40 IHAB CCc1ccc(-c2csc(NC(=O)[C@H](C)OC(=O)[C@@H]3CCCN(C(C)=O)C3)n2)cc1 10744958 FZHHNBWFCDULLB-KBXCAEBGSA-N 429.542 3.501 0 40 IHAB O=C(NCC1(c2ccccc2)CCC1)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 11193730 VBTWGLDXCGIXHW-UHFFFAOYSA-N 448.535 3.604 0 40 IHAB COc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1S(=O)(=O)NC(C)C 11375426 NBUIHUZATKTGTF-UHFFFAOYSA-N 445.310 3.536 0 40 IHAB C[C@@H](C(=O)NC(C)(C)C)N(C(=O)[C@@H]1COc2ccccc2O1)c1cnc2ccccc2c1 12471386 JPXKOVDBZMVPKF-AOMKIAJQSA-N 433.508 3.711 0 40 IHAB CCOC(=O)c1cnc(S[C@@H](C)C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)nc1N 12517138 OVQPXMLZCOFUBC-LBPRGKRZSA-N 430.530 3.584 0 40 IHAB CN1C[C@@H](NC(=O)CC(C)(C)CC(=O)O)C[C@H]1c1nc(-c2ccc3ccccc3c2)no1 12529902 SADPCVTYYIBIMW-OALUTQOASA-N 436.512 3.642 0 40 IHAB biogenic,in-vitro C[C@H](NC(=O)CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1cccs1 13058546 FVHZBQKRJYNHCY-LBPRGKRZSA-N 432.899 3.815 0 40 IHAB COc1ccc(/C=C/C(=O)O)cc1S(=O)(=O)Nc1ccc(Br)c(C)c1 13367373 CLISRBGYNAMCOV-XBXARRHUSA-N 426.288 3.665 0 40 IHAB CC(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)c1 14094793 DHTYOHWEEDLCAH-HOTGVXAUSA-N 429.542 3.564 0 40 IHAB COc1ccccc1CC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2OC)c1 14906890 UNCRWJIJIIZNQM-UHFFFAOYSA-N 440.521 3.994 0 40 IHAB O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)Nc1cccc(Br)c1 15351186 HHUBDCUOELLWPJ-UHFFFAOYSA-N 437.359 3.635 0 40 IHAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(Cl)c3F)cc2)C[C@H](C)O1 15997382 CFGBGAAYZVHDEH-STQMWFEESA-N 426.897 3.529 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2cc(-c3ccc(F)cc3F)on2)cc1 17287922 SKZOYDINIMRFRV-UHFFFAOYSA-N 449.479 3.580 0 40 IHAB COc1cc([C@H]2[C@H]3C(=O)N(c4ccccc4C)C(=O)[C@H]3ON2c2ccccc2)ccc1O 18099594 VZAFSPQRRKUHIT-VJBWXMMDSA-N 430.460 3.760 0 40 IHAB CC(=O)Nc1ccc(Oc2cc(C)nc([C@H]3CCCN(C(=O)c4cn(C)cn4)C3)c2)cc1 19570340 IRSYDHHRWUJQHB-SFHVURJKSA-N 433.512 3.894 0 40 IHAB COc1ccc(CC(=O)N2CCC[C@H]2c2nc(N(C)C)ncc2-c2cc(C)no2)cc1C 19571143 UITATGHDQZTWNS-IBGZPJMESA-N 435.528 3.729 0 40 IHAB CN(C)CCN[C@@H]1c2cc(-c3ccc(F)cc3)cnc2Sc2nc(-c3cccnc3)nn21 19582917 GWDLZTMYEQIDBB-NRFANRHFSA-N 447.543 3.704 0 40 IHAB CNC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)c2cccc(OC)c2)CCO1 19591846 GUAZZNFHWQIOMH-HHHXNRCGSA-N 444.531 3.562 0 40 IHAB COCCCNC(=O)C1(C[C@H]2CC(c3ccc(C(F)(F)F)cc3)=NO2)CCOCC1 19593299 UJUIIZUZCVKYRM-QGZVFWFLSA-N 428.451 3.538 0 40 IHAB Cc1nc([C@@H]2CCCCN2C(=O)c2nccn2C)ncc1C(=O)Nc1ccc(Cl)cc1 19753741 OEVKBEYNMDDQDD-SFHVURJKSA-N 438.919 3.792 0 40 IHAB Cc1nc(C2CCN(C(=O)COc3ccccc3)CC2)ncc1C(=O)Nc1ccc(F)cc1 19763881 WXRUDAULCFNLRV-UHFFFAOYSA-N 448.498 3.961 0 40 IHAB COc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)COc1ccc(C)cc1 20153660 UQOFTGBTINQWLT-UHFFFAOYSA-N 426.494 3.648 0 40 IHAB CS(=O)(=O)N(CC(=O)N[C@@H]1CCCc2ccccc21)c1cc(Cl)ccc1Cl 20461618 CHULJKVHGCMQKL-QGZVFWFLSA-N 427.353 3.953 0 40 IHAB Cc1ccccc1[C@H](NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C)c1ccccc1 20493038 VNMNUXLSSBIQOL-XMMPIXPASA-N 437.565 3.514 0 40 IHAB CC(C)(C)c1cc(NC(=O)c2cccc(Br)c2)n([C@H]2CCS(=O)(=O)C2)n1 22503516 KETBVTFJFQLAHZ-AWEZNQCLSA-N 440.363 3.555 0 40 IHAB Cc1cc(C)cc(NC(=O)Cn2nc(C3CC3)c3cnn(-c4ccc(F)cc4)c3c2=O)c1 22768021 QKTDJRQXBDNBEL-UHFFFAOYSA-N 431.471 3.854 0 40 IHAB CCn1c2ccccc2c2nnc(S[C@@H](C)C(=O)Nc3ccc4c(c3)OCCO4)nc21 23971255 YDMQDYBKIAZLSE-ZDUSSCGKSA-N 435.509 3.890 0 40 IHAB Cc1noc(C)c1COc1cccc(C(=O)N2CCC(C(=O)Nc3ccncc3)CC2)c1 24700610 UXMJKAAZVGXLAB-UHFFFAOYSA-N 434.496 3.756 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H]2CCSc3ccc(Cl)cc32)cc1C 30887107 OXJMXWNORMDOQG-GOSISDBHSA-N 439.002 3.931 0 40 IHAB COc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)cc1 32750366 BOMBRHOATHZFMP-UHFFFAOYSA-N 446.569 3.541 0 40 IHAB CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 32845285 AADRAPCDFBEHLE-IIBYNOLFSA-N 443.494 3.597 0 40 IHAB CN(CC(=O)N(Cc1c(F)cccc1Cl)C1CC1)S(=O)(=O)c1ccc(Cl)cc1 32880004 YPECBHNPYMOCFB-UHFFFAOYSA-N 445.343 3.944 0 40 IHAB CCOc1cc2c(cc1CNC(=O)[C@H]1CCCN1C(=O)Nc1ccc(F)cc1)O[C@@H](C)C2 32934428 CBKKAKYPRQWGAL-MGPUTAFESA-N 441.503 3.861 0 40 IHAB C[C@H]1Cc2ccccc2N1C(=O)COc1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 33499678 JGBSRABGMMNOIZ-SFHVURJKSA-N 436.533 3.868 0 40 IHAB O=C(CCN1C(=O)S/C(=C\c2cccs2)C1=O)Nc1ccc2oc(=O)ccc2c1 33543129 NRELMNXZEBBTOR-WJDWOHSUSA-N 426.475 3.920 0 40 IHAB COc1ccc(CCN2C(=O)[C@@H](CCC(=O)Nc3ccc(F)c(Cl)c3)N=C2O)cc1 36594926 UKWXJTFWLZDEJJ-GOSISDBHSA-N 433.867 3.574 0 40 IHAB COc1ccc(/C=C\C(=O)Nc2nn(C)c3c2[C@H](c2ccccc2)CC(=O)N3)cc1OC 36705535 ULLRUDCJFMVZMF-LUJNMSEFSA-N 432.480 3.563 0 40 IHAB CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)c1ccc(SC(F)F)cc1 40039151 FCIDDIDIWTYKBP-UHFFFAOYSA-N 449.479 3.917 0 40 IHAB CC[C@@H](C)N(Cc1ccccc1)C(=O)Cn1cnc2ccc(Br)cc2c1=O 40130767 PEDGZSUESPSLOD-OAHLLOKOSA-N 428.330 3.986 0 40 IHAB COc1ccc(-c2nnc3sc(NC(=O)COc4ccc(Cl)cc4)nn23)cc1OC 41076496 SASIWEPUFNRRTK-UHFFFAOYSA-N 445.888 3.541 0 40 IHAB CCCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)NCc2ccc(OC)cc2)C1 44803873 DSPWOTPZXCESIC-LJQANCHMSA-N 434.540 3.960 0 40 IHAB CCCSc1ncc(Br)c(C(=O)NCCCC(=O)Nc2ccccc2)n1 46087005 DIKNZKZFEPWRDH-UHFFFAOYSA-N 437.363 3.890 0 40 IHAB Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NCCN1C[C@H](C)O[C@H](C)C1 48342300 JDERLGMPOJXKHA-OKILXGFUSA-N 439.387 3.564 0 40 IHAB Cc1ccc(N2CN(CC(=O)Nc3cc(C)cc(C)c3)S(=O)(=O)c3cccnc32)cc1 49411453 LATNIGLDXZMUAJ-UHFFFAOYSA-N 436.537 3.745 0 40 IHAB COc1ccc(NC(C)=O)cc1S(=O)(=O)N(Cc1cccnc1)Cc1ccccc1C 57993764 RVSDIASYYDHNSD-UHFFFAOYSA-N 439.537 3.748 0 40 IHAB Cc1cc([C@@]2(C)NC(=O)N(CC(=O)N3CC[C@H](C)Sc4ccccc43)C2=O)c(C)o1 58292445 UJBNAOANEDSKFI-RCDICMHDSA-N 427.526 3.581 0 40 IHAB CC(=O)Nc1c(C)cccc1-c1nnc(SCC(=O)Nc2ccc(C)cc2C)nc1O 64774864 GBDITCLQPRXIHB-UHFFFAOYSA-N 437.525 3.859 0 40 IHAB O=C(Cn1nc(N2CCC(Cc3ccccc3)CC2)ccc1=O)NC1CCCCCCC1 71286776 BGHMUELXUYWZSU-UHFFFAOYSA-N 436.600 3.932 0 40 IHAB CCCOc1ccc(CNC(=O)c2cn(-c3ccc(-c4nc(C5CC5)no4)cn3)cn2)cc1 71768271 XKABKIQLUJBYOM-UHFFFAOYSA-N 444.495 3.914 0 40 IHAB C[C@@H]1Cc2cc(C(=O)N3CCN(C)C(=O)[C@H]3Cc3ccc(-c4cccnc4)cc3)ccc2O1 72351875 XEHBBIXOLLQPCX-HOYKHHGWSA-N 441.531 3.598 0 40 IHAB O=C(CN1CCC[C@@H](Cc2cc(Nc3nccs3)ncn2)C1)Nc1ccccc1F 72383440 PORMJBKCZQLAMK-HNNXBMFYSA-N 426.521 3.709 0 40 IHAB O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCN(Cc2cccc3cccnc23)CC1 84493841 BGWCMTKOCCUWGR-DEOSSOPVSA-N 431.536 3.751 0 40 IHAB COc1ccc([C@@H](C)NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1Cn1cccn1 84647842 DIQNDMYLRJGJMK-WZONZLPQSA-N 435.524 3.989 0 40 IHAB CCOC(=O)Nc1ccc2c(CN3CCCN(c4cncc(F)c4)CC3)cc(=O)oc2c1 89984759 XRKGGCWJAHSUOU-UHFFFAOYSA-N 440.475 3.608 0 40 IHAB COc1cc(/C=C/C(=O)N2CCC[C@@H]2c2c(C)nn(C)c2C)cc(Br)c1O 95469009 AVEGJOCNKNVREN-KXPUMZMLSA-N 434.334 3.891 0 40 IHAB CCN1CC[C@@]2(CN(CC(C)C)CC23CCN(C(=O)Nc2ccccc2F)CC3)C1=O 96144338 PXHQEGUBHYGGLZ-XMMPIXPASA-N 430.568 3.650 0 40 IHAB CC(C)[C@H](NC(=O)COc1cc(O)c2c(c1)OC(C)(C)CC2=O)c1nc2ccccc2[nH]1 96222133 LZLHBHNZLPZNOC-QFIPXVFZSA-N 437.496 3.905 0 40 IHAB biogenic Cc1n[nH]c(C)c1Nc1cnn(C23C[C@H]4C[C@@H](CC(CC(=O)O)(C4)C2)C3)c(=O)c1Cl 101094685 HXKIXSYJAVXLHO-SUXCYGLUSA-N 431.924 3.750 0 40 IHAB CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]2[C@@H]2C=Cc3ccccc3N21 107177333 UTHLGSOXEIDBAC-VNTMZGSJSA-N 426.394 3.684 0 40 IHAB CC1(C)C[C@H]2C[C@](C)(CN2[C@@H](C(=O)O)c2c[nH]c3ccc(NC(=O)/C=C/C(=O)O)cc23)C1 217940128 VZCFUIKILGYNGM-KAKMSODBSA-N 439.512 3.774 0 40 IHAB COc1cccc(-c2noc(CN(C)C(=O)COc3ccc(Br)c(C)c3)n2)c1 218831058 RDFSNCSXOFRLEF-UHFFFAOYSA-N 446.301 3.854 0 40 IHAB CC[C@H](C(=O)Nc1cc(C(=O)OC)ccc1Cl)N(c1cccc(C)c1)S(C)(=O)=O 220510840 AMEHLQDUAJQGEK-GOSISDBHSA-N 438.933 3.618 0 40 IHAB COc1cccc(OCC(=O)N(C)Cc2nc(-c3cccc(Br)c3)no2)c1 222795395 KCHZXERGZSEZJR-UHFFFAOYSA-N 432.274 3.545 0 40 IHAB CCCSc1nnc(NC(=O)[C@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)s1 223080398 JZPIAQBOHDZJMY-NSHDSACASA-N 449.023 3.795 0 40 IHAB CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc2c(c1)OCCO2 223722504 XCABELUSKZECDW-INIZCTEOSA-N 430.932 3.597 0 40 IHAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CCc1ccc2c(c1)OCO2 224306891 LXGGKABFMPGTDF-LJQANCHMSA-N 430.932 3.945 0 40 IHAB CCOC(=O)CN(c1ccccc1C(=O)OC)S(=O)(=O)c1cc(Cl)ccc1Cl 224931112 WNTSZUKPSCWKAL-UHFFFAOYSA-N 446.308 3.538 0 40 IHAB COc1ccc(CCC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC(C)C)cc1OC 225511671 RJSDULKTZKDBNT-LJQANCHMSA-N 426.557 3.887 0 40 IHAB O=C(c1c(F)cccc1Cl)N1CCC(Cc2n[nH]c(=O)n2-c2ccccc2F)CC1 225543819 FBJZCAGMNCEVHN-UHFFFAOYSA-N 432.858 3.587 0 40 IHAB CCn1cc(NC(=O)[C@H]2[C@@H]3CC[C@@H](C3=C(C)C)[C@@H]2C(=O)O)c(C(=O)NC2CCCCC2)n1 225694785 UWBBAKSRUFMVAU-LPWQTFTOSA-N 442.560 3.597 0 40 IHAB COc1ccc([C@H](CNC[C@H](O)COCC2=CC[C@H]3C[C@H]2C3(C)C)N2CCCC2)cc1 245228475 ZSFOPVGFBCFPKH-HFOXQMJASA-N 428.617 3.792 0 40 IHAB COc1ncc([C@]2(O)CCC[C@H]3CN(Cc4ccccc4C(F)(F)F)C[C@H]32)c(OC)n1 247908116 XSBMWMRBOQHPKG-RRMPHLOHSA-N 437.462 3.632 0 40 IHAB CC(C(=O)N1CCC[C@@H](c2[nH]ncc2S(C)(=O)=O)C1)(c1ccccc1)c1ccccc1 257301675 RZJKAAQXPAQKLT-GOSISDBHSA-N 437.565 3.525 0 40 IHAB COc1cc2c(cc1CNc1cc(-c3c[nH]nc3[C@H]3CCN(C(C)=O)C3)ccn1)CCC2 257319072 VQOOYZBMUGFICK-FQEVSTJZSA-N 431.540 3.917 0 40 IHAB CCOc1ccc(N([C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)cc1 260930960 LNVXDPYWWUBMRX-DLBZAZTESA-N 430.570 3.606 0 40 IHAB O=C(COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1Cl)NC1CCCC1 408563669 WICVRYWDJWBYPM-UHFFFAOYSA-N 448.972 3.919 0 40 IHAB CS(=O)(=O)N(CCCC(=O)Nc1c(Cl)cccc1Cl)c1ccc2c(c1)OCO2 408704899 VHTNKSGQPHHTEG-UHFFFAOYSA-N 445.324 3.907 0 40 IHAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cccn2-c2ccc(C)cc2C)C1=O 409246441 ILDDSPWFOLJCKX-XSFVSMFZSA-N 444.491 3.634 0 40 IHAB CN(C)CCn1ccc2ccc(NS(=O)(=O)c3ccc4c5c(cccc35)C(=O)N4C)cc21 512343418 PDVAHVOXDUETSU-UHFFFAOYSA-N 448.548 3.747 0 40 IHAB NC(=O)[C@H](Cc1ccccc1)Sc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F 543643683 NLSFRGUWPWXZHU-FQEVSTJZSA-N 437.471 3.853 0 40 IHAB O=C1NCc2c(NC(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)c3cccc(Cl)c3)cccc21 561683913 DJLLEJCFWLGTMH-WVFSVQOHSA-N 437.927 3.995 0 40 IHAB Cc1sc(NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)CC(C)C)nc1-c1ccc(F)cc1 564406720 JZAJHKOLKJZHPT-QGZVFWFLSA-N 429.521 3.693 0 40 IHAB COc1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccccc3Cl)c2=O)cc1Cl 1775966564 LNGOQAWDTXWBHO-UHFFFAOYSA-N 444.278 3.536 0 40 IHAB C[C@@H](Nc1nc(CN2CCOCC2)nc2sc3c(c12)CCC3)c1ccc2c(c1)OCO2 32874046 YBBCOQDZUDJARA-CQSZACIVSA-N 438.553 3.914 0 40 IHAB O=C(Cc1csc(-c2ccsc2)n1)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 32841506 YPOVMTPSKCWEKY-IBGZPJMESA-N 431.558 3.743 0 40 IHAB Cc1ccn2c(NC(=O)CCN3C(=O)[C@@H]4CCCC[C@H]4C3=O)c(-c3ccc(F)cc3)nc2c1 21826268 FODNERFBGCBROE-RTBURBONSA-N 448.498 3.953 0 40 IHAB CCN(c1ccc(C(=O)NCCSCc2cccc(Cl)c2)cc1)S(C)(=O)=O 10008558 XEENKNBOVUTYEY-UHFFFAOYSA-N 426.991 3.789 0 40 IHAB CCOCCCNc1nc(-c2ccccn2)nc2c1CN(Cc1ccc(OC)cc1)CC2 57743715 KANPAIFYXXOBSZ-UHFFFAOYSA-N 433.556 3.944 0 40 IHAB CCN(c1ccc(Cl)cc1)S(=O)(=O)c1nnc(NC(=O)c2ccccc2C)s1 8588190 BLLWGMRZQQEFGW-UHFFFAOYSA-N 436.946 3.967 0 40 IHAB COC(=O)c1ccc(CSc2nnc(NC(=O)COc3ccccc3C)s2)cc1 8883188 GKCANYJIGIINGN-UHFFFAOYSA-N 429.523 3.943 0 40 IHAB COc1cc(CN2C(=S)NC3(CCCCC3)[C@H]3CCCC[C@@]32O)cc(OC)c1OC 12322850 ICHRZXLXOHGBFZ-AUSIDOKSSA-N 434.602 3.984 0 40 IHAB O=C(CNC(=O)c1ccc2nc(-n3cccc3)sc2c1)Nc1ccc2oc(=O)ccc2c1 12321683 LLSDCMBOPYOTBN-UHFFFAOYSA-N 444.472 3.562 0 40 IHAB CC[C@H](NC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O)c1ccc(OC)cc1 20043241 YMPIVWGNTZNSKG-SFHVURJKSA-N 428.913 3.521 0 40 IHAB CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)/N=c2/sc3ccccc3n2C)c1 104992077 HZAQILXSMKPNIS-GHVJWSGMSA-N 443.594 3.934 0 40 IHAB O=C(Nc1cccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1)[C@@H]1CCCO1 25807179 MKPQUVSMFCBCGO-UNMCSNQZSA-N 436.508 3.943 0 40 IHAB COc1cccc(CCNC(=O)[C@H]2C[C@H]3CC[C@@]2(C)C[C@]32NC(=O)c3ccccc3N2)c1 100117353 KJXRPELNEPVHAC-VBXGJKEFSA-N 433.552 3.732 0 40 IHAB COC(=O)c1ccc(OCc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)c(OC)c1 59928503 WIZCCXNWSFYOGU-UHFFFAOYSA-N 442.781 3.709 0 40 IHAB C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)Sc1nnc(-c2ccc(Cl)cc2)n1N 10216004 SOYWZDUTKSGYKD-GJZGRUSLSA-N 429.977 3.930 0 40 IHAB CCOc1ccc(NC(=O)c2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@H]6C[C@H]56)[C@@H]4C3=O)cc2)cc1 102085849 JNZQZRHVKSSGPE-GNWGRXFHSA-N 428.488 3.895 0 40 IHAB COC(=O)c1c(NC(=O)CNC[C@@H](c2ccccc2)N(C)C)sc2c1CCCCC2 22031702 GPUBHXOUQPYVLC-SFHVURJKSA-N 429.586 3.635 0 40 IHAB COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CCCC4)CC(=O)N32)cc1 2111896 SDAVSHBEXSOEJO-WIOPSUGQSA-N 429.520 3.804 0 40 IHAB biogenic O=C(C[C@@H]1Sc2ccccc2NC1=O)OCC(=O)c1ccc(Br)s1 3322666 ZWSOUMCHCNQXLG-ZDUSSCGKSA-N 426.313 3.740 0 40 IHAB Cc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1C 3361916 LOXKQFUSRQYFQU-UHFFFAOYSA-N 442.821 3.887 0 40 IHAB aggregator COc1ccc(N2C(=O)C(=O)N(CN3CCc4sccc4[C@H]3c3ccccc3)C2=O)cc1 12799098 HAMYWHNRPCRIBW-OAQYLSRUSA-N 447.516 3.657 0 40 IHAB CCOC(=O)c1c(NC(=O)COc2ccc(C(=O)OC)cc2OC)sc(CC)c1C 12760466 RURWLLRQVCRTLU-UHFFFAOYSA-N 435.498 3.608 0 40 IHAB COc1ccc(NC(=O)CN2CC[C@@]3(O)CCCC[C@H]3[C@@H]2c2ccc3c(c2)OCO3)cc1 12860468 BVNRRQKOVUQHSQ-OPXMRZJTSA-N 438.524 3.731 0 40 IHAB biogenic CCn1c(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)nnc1-c1ccc(Cl)cc1 3456481 KWBJKYZTXANEDM-UHFFFAOYSA-N 428.905 3.519 0 40 IHAB C[C@H]1CCc2c(sc3nc([C@H](C)N4CCN(C(=O)c5ccccc5)CC4)[nH]c(=O)c23)C1 12923387 CBCJIHARBCVYJJ-HOTGVXAUSA-N 436.581 3.628 0 40 IHAB CCc1cc2c(=O)n(CC)c(SCC(=O)Nc3cc(C(=O)O)ccc3C)nc2s1 13364783 QTHCLHTUUJBBAZ-UHFFFAOYSA-N 431.539 3.778 0 40 IHAB CCOC(=O)/C=C/c1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)cc1 18239656 NSXZBDPFUQSVHN-ZPHJMFTNSA-N 426.900 3.904 0 40 IHAB COc1ccc(OC)c([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccccc2)c1 13757801 QODSFRKLSWYKOD-VXNXHJTFSA-N 444.487 3.751 0 40 IHAB C[C@H](Nc1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl)c1nnc2ccccn12 15141189 AZMWBHVRVUAKEP-JTQLQIEISA-N 435.797 3.516 0 40 IHAB COc1ccc([C@@H]2[C@@H](NC(=O)c3ccc(C)cc3)C(=O)N/[N+]2=C\c2ccc(Cl)cc2)cc1 409057312 JRGROZKRZOXDKF-VNGKGULCSA-O 448.930 3.673 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(NCC(=O)Nc2cc(C)c(Cl)cc2OC)cc1 9220508 XWIZAANDUUYTGP-UHFFFAOYSA-N 439.965 3.738 0 40 IHAB COc1cc2nc(CSc3nnc(C4CC4)n3-c3ccccc3)[nH]c(=O)c2cc1OC 9672552 MMYPVMWVEVZODV-UHFFFAOYSA-N 435.509 3.691 0 40 IHAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 9631675 LWXKHQJJWNUWIR-UHFFFAOYSA-N 436.533 3.556 0 40 IHAB Cc1cc(C)cc(N(CCCC(=O)NCc2cccc(OC(C)C)c2)S(C)(=O)=O)c1 113966832 DJWDROXBECJBLH-UHFFFAOYSA-N 432.586 3.953 0 40 IHAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 22338731 CUJPCRRURTVTEK-IBGZPJMESA-N 430.570 3.796 0 40 IHAB Cc1ccc(-c2nnc(CN(C)C(=O)c3ccccc3I)o2)cc1 408713921 CRKWJYRVVBBLCK-UHFFFAOYSA-N 433.249 3.922 0 40 IHAB CCCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(NC(=O)CC)c2)cc1 408696563 CGQOSNYEIWCFHP-UHFFFAOYSA-N 434.514 3.801 0 40 IHAB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)Cc1nc(=O)c2oc3ccccc3c2[nH]1 24797383 NPQVCYXFQUVZBU-UHFFFAOYSA-N 444.413 3.937 0 40 IHAB CCCCCNC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)c2cc(Cl)ccc2O1 64986192 FOGTVUZGMRHSTM-FQEVSTJZSA-N 436.961 3.911 0 40 IHAB CC(C)OC(=O)c1cccc(NC(=O)CSc2nnc(COc3ccccc3)o2)c1 35103725 VBZZADZZTOIBSE-UHFFFAOYSA-N 427.482 3.945 0 40 IHAB COCCCN1CCc2nc(SCc3nc(-c4ccccc4)oc3C)nc(O)c2C1 33287172 NNWJMJKYFRHUOB-UHFFFAOYSA-N 426.542 3.833 0 40 IHAB Cc1ccc([C@H](c2nnnn2C[C@H]2CCCO2)N2CCN(c3cc(C)ccc3C)CC2)cc1 35312568 BWHHASODGKERAT-ILBGXUMGSA-N 446.599 3.689 0 40 IHAB Cc1ccc(CN2C[C@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccccc2)C3=O)s1 306123353 AKWSGNDEJDIKAF-ILBGXUMGSA-N 433.577 3.849 0 40 IHAB CC(=O)c1cc2c(cc1NC(=O)COc1ccc(NC(=O)c3ccccc3)cc1)OCO2 32910859 XLWGVBCSNFZHBW-UHFFFAOYSA-N 432.432 3.888 0 40 IHAB Cc1cc(Cc2ccccc2C)cc([C@H]2CCCN(C(=O)COCCN3CCCC3=O)C2)n1 72354193 UZGHAKJSJSYTJN-DEOSSOPVSA-N 449.595 3.634 0 40 IHAB C[C@H](Cn1nc(-c2cccs2)ccc1=O)C(=O)NCc1ccccc1OC(F)(F)F 61984104 RZGZJZNXJCWOFB-CYBMUJFWSA-N 437.443 3.823 0 40 IHAB O=c1c2sccc2n2c(=O)n(Cc3ccccc3Cl)nc2n1Cc1cccs1 64946469 BNNCTITWBXVEQK-UHFFFAOYSA-N 428.926 3.684 0 40 IHAB COc1cccc(-c2noc(CNC(=O)CCCN3C(=O)c4cccc5cccc3c45)n2)c1 219474250 UPLSCLDUOQYYNF-UHFFFAOYSA-N 442.475 3.955 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccc(Nc3nc(C)cc(C)n3)n2)cc1 72375208 CZWFPXMPDHIWRH-HXUWFJFHSA-N 439.541 3.766 0 40 IHAB COC(=O)c1ccc(Cl)c(S(=O)(=O)NCCOc2ccc(C(C)(C)C)cc2)c1 223659659 RBWVIFQCCDIGLN-UHFFFAOYSA-N 425.934 3.781 0 40 IHAB COC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224954211 VWVFTLNDYHJTNL-UHFFFAOYSA-N 437.823 3.736 0 40 IHAB CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)COc1cccc(Cl)c1 225468986 BNPNAUPHPIWYKM-ZDUSSCGKSA-N 439.737 3.645 0 40 IHAB COc1cc(C)c([C@@H](C)NC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)cc1C(C)C 223379368 XAZGXVNIMNKDQP-QGZVFWFLSA-N 448.585 3.779 0 40 IHAB CS(=O)(=O)N(CC(=O)Nc1ccc(Cc2ccncc2)cc1)Cc1ccccc1Cl 225174461 MQZLDVZLGDVCDO-UHFFFAOYSA-N 443.956 3.726 0 40 IHAB Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)NCCCN3CCCCCC3)c2)c1 224138265 XDOVDYJTLXZOCK-UHFFFAOYSA-N 443.613 3.816 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCCOc1ccccc1)c1cc(Cl)cc(Cl)c1 224734814 TYCCVQCOGFMCOB-UHFFFAOYSA-N 445.368 3.735 0 40 IHAB FC(F)(F)c1cc(N2CCc3ccccc3C2)nc(NC(=S)NC[C@@H]2CCCO2)n1 225910217 HDICVLTYFMZKMR-HNNXBMFYSA-N 437.491 3.524 0 40 IHAB O=C(Nc1ccccc1C(=O)N1CCCC1)c1cccc(S(=O)(=O)Nc2ccccc2)c1 223920319 MJRGTCXGHGIYPE-UHFFFAOYSA-N 449.532 3.976 0 40 IHAB CCNC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCCN(C(=O)[C@@H]2[C@H]3CCCC[C@H]32)C1 248242332 HPHPOBVJVGHUAR-VNAWGFGGSA-N 446.595 3.867 0 40 IHAB CCN(CC)C(=O)Cc1c(C)nc([C@@H]2CCCN(C(=O)c3cccc(F)c3)C2)nc1C 257268211 MKSJZKIYHRKNKS-LJQANCHMSA-N 426.536 3.663 0 40 IHAB Cc1cnc(C(=O)N2[C@H](c3cccc(C(F)(F)F)c3)C[C@]3(C)NC(=O)CCC[C@H]23)cn1 257211404 BYTNMTCVVIBKMC-WFXMLNOXSA-N 432.446 3.818 0 40 IHAB Cc1nccn1[C@@H]1CC[C@@H](N(C)C(=O)CCCn2c(C(F)(F)F)nc3ccccc32)[C@H]1O 257298863 RNOCKSLTFVVYRW-QWFCFKBJSA-N 449.477 3.563 0 40 IHAB O=C(c1ccc(-c2cncnc2)nc1)N1CCC[C@]2(C[C@@H](Oc3cccc(F)c3)CO2)C1 257302230 SCALBWYHKKNNJN-QPPBQGQZSA-N 434.471 3.520 0 40 IHAB O=C(Cc1ccc(F)cc1)N1CCO[C@H](c2cc(CCOc3ccc(Cl)cc3)[nH]n2)C1 257301609 RZCVWPCWRLLDLH-QFIPXVFZSA-N 443.906 3.966 0 40 IHAB O=C(NCc1cccnc1)[C@H]1OC2(CCN(C(=O)c3ccccc3)CC2)c2ccccc21 585109757 PPGMINIEUSHFLQ-QHCPKHFHSA-N 427.504 3.601 0 40 IHAB CCC[C@@]1(C(=O)OCC)N[C@@H](c2ccccc2F)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 12496713 ILKNXVBYDHWGND-CMCWBKRRSA-N 442.462 3.517 0 40 IHAB CC(C)c1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](NC(=S)NC4CCCCC4)CO[C@H]23)cc1 12604624 AGIREWCOYPFRAD-DOIPELPJSA-N 447.601 3.690 0 40 IHAB biogenic,in-vitro CCCCN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC1CCCC1)c1ccccc1 13497101 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40 IHAB CO[C@@H]1CCN2C[C@@H]1CCCCN(Cc1cscn1)CCOc1ccccc1C2=O 2037978097 AOQKXZTUGHBZRR-GHTZIAJQSA-N 429.586 3.685 0 40 IHAB CCOC(=O)[C@@H]1CCCN(Cc2cn3c(-c4ccc(Br)cc4)nnc3s2)C1 8601096 DOMSJUYBVBJFPO-CQSZACIVSA-N 449.374 3.995 0 40 IHAB CCN1C(=O)C(C)(C)COc2ccc(NS(=O)(=O)c3ccc(OC)c(Cl)c3)cc21 9170828 ZKTFIYPTVOTEHB-UHFFFAOYSA-N 438.933 3.921 0 40 IHAB Cc1ccc2c(c1)N(C)C(=O)c1cc(NC(=O)CN3C(=O)c4ccccc4C3=O)ccc1O2 9135415 RKPMIUBKXGTDJD-UHFFFAOYSA-N 441.443 3.612 0 40 IHAB O=C(CSc1ncnc2c1nnn2Cc1ccc(F)cc1)Nc1ccc(Cl)cc1 11758473 RSXSHXXDJFISBY-UHFFFAOYSA-N 428.880 3.793 0 40 IHAB CCN1CCN([C@@H](c2ccccc2F)c2sc3nc(-c4ccco4)nn3c2O)CC1 22798517 XVZFRBUWZUMJIZ-KRWDZBQOSA-N 427.505 3.622 0 40 IHAB O=C1NC2=C(C(=O)N(Cc3cccs3)C2)[C@H](c2ccc(OCc3ccccc3)cc2)N1 12879358 MPHQCMVYFFEJNY-QFIPXVFZSA-N 431.517 3.978 0 40 IHAB CCCSc1nc(N2CCN(CCO)CC2)c2c3c(sc2n1)CO[C@](C)(CC)C3 20358892 DYLLJDRJXNDJSM-OAQYLSRUSA-N 436.647 3.549 0 40 IHAB CC(=O)Nc1ccc(NC(=O)CCc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1 983600 KIFBCFIIDASXST-UHFFFAOYSA-N 443.569 3.827 0 40 IHAB O=C(COc1cc(Cl)ccc1Cl)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 3572869 OYWBNZASPHRFSH-UHFFFAOYSA-N 429.325 3.795 0 40 IHAB O=c1ccc(-c2ccccc2F)c2n1C[C@H]1C[C@@H]2CN(S(=O)(=O)c2cccs2)C1 8300306 NSRHTMJXKTXFCY-LSDHHAIUSA-N 430.526 3.524 0 40 IHAB biogenic,in-vitro Cc1cc(NC(=O)[C@@H](C)Sc2nnc(CN3CCCCC3)n2Cc2ccccc2)no1 12136297 KRMALLFWOFGABE-QGZVFWFLSA-N 440.573 3.728 0 40 IHAB CC[C@]1(C)Cc2c(sc3nnn(CC(=O)Nc4cccc5ccccc45)c(=O)c23)CO1 658403 SKWSDKAJOKAIFF-HSZRJFAPSA-N 434.521 3.886 0 40 IHAB CC(C)n1nccc1NC(=O)[C@@H](C)OC(=O)c1cccc(NC(=O)c2cccs2)c1 23070325 IOJKILMQUKCEGR-CQSZACIVSA-N 426.498 3.962 0 40 IHAB Cn1nc(-c2ccc(Cl)cc2)cc1NC(=O)CSc1nnc(-c2cccs2)n1N 9669499 BJECXYAPIFQAEW-UHFFFAOYSA-N 445.961 3.505 0 40 IHAB CCc1nn2c(=O)cc(CSc3nc4cc(Cl)ccc4n3CCOC)nc2s1 24828790 QGBVBGBZCRQRIR-UHFFFAOYSA-N 435.962 3.655 0 40 IHAB C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 21709046 PXYDRKHGSSTFCS-VIFPVBQESA-N 427.201 3.528 0 40 IHAB O=C(CSc1nc2ccccc2s1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 12689113 JNYQSDGTNQJOOG-UHFFFAOYSA-N 433.580 3.812 0 40 IHAB CCCc1sc(C(=O)OCC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1CC 12622978 MHLXZAIYKISJOP-GOSISDBHSA-N 449.594 3.640 0 40 IHAB CC(C)C(=O)N(CC1CCCCC1)[C@H]1CCN(C(=O)[C@H](N)Cc2ccc(Cl)cc2)C1 55168445 FPBVVFJBCOBVPJ-FCHUYYIVSA-N 434.024 3.876 0 40 IHAB O=C(NCc1cccc(COCc2ccco2)c1)[C@H]1CCCN(C(=O)N2CCCC2)C1 48261344 DXACPELIUPLMTG-NRFANRHFSA-N 425.529 3.540 0 40 IHAB COc1ccc(-c2cc3ncnc(Nc4ccc(C(=O)NCC(=O)O)cc4)c3s2)cc1 12739563 VVKXQFUGSKYHGP-UHFFFAOYSA-N 434.477 3.925 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N(C)Cc1ccc(F)cc1 12848154 FAVZYAPXNIMNDJ-UHFFFAOYSA-N 434.533 3.671 0 40 IHAB COC(=O)c1ccc(OCC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)c(OC)c1 11673622 OCWXQZNZCNOOQQ-MRXNPFEDSA-N 440.477 3.893 0 40 IHAB C[C@@H]1CCC[C@@H](NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2N)[C@@H]1C 13096976 DRZAZUIDDDGNPV-UEKVPHQBSA-N 428.389 3.999 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)COc1cccc(C)c1 13139273 QCFNRIHTSKLYBT-UHFFFAOYSA-N 432.542 3.586 0 40 IHAB COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(C)c2C)cc(OC)c1OC 4262967 FHZULVPZEUCLDY-FQEVSTJZSA-N 425.485 3.596 0 40 IHAB COc1ccc(-c2nn3c(CCc4ccc(OC)c(OC)c4)nnc3s2)c(OC)c1 13719459 IFPUVFCXQZPYAM-UHFFFAOYSA-N 426.498 3.672 0 40 IHAB COc1ccc(-c2cc3nn(CC(=O)Nc4ccc(C(C)C)cc4)c(=O)n3c(C)n2)cc1 65196643 UHBRTZOPAUAOCU-UHFFFAOYSA-N 431.496 3.637 0 40 IHAB Cc1ccc(N2C(=O)C[C@@H](C(=O)OCC(=O)NCc3ccco3)[C@H]2c2cccs2)cc1 39964457 GVRXCQLQDWOHFS-GCJKJVERSA-N 438.505 3.603 0 40 IHAB Cc1nn(C(C)(C)C)c(OC(=O)COc2ccccc2)c1S(=O)(=O)c1ccccc1 8884103 PTASBFUAOTYMKC-UHFFFAOYSA-N 428.510 3.764 0 40 IHAB Cc1ccc(C)c(NC(=O)CN2C(=O)N[C@](Cc3ccccc3)(c3ccccc3)C2=O)c1 9193608 TXXFAZIWRHXZCA-AREMUKBSSA-N 427.504 3.932 0 40 IHAB CC[C@@H](C)n1c(SCC(=O)N[C@H](C)c2cccc(OC)c2)nc2cc(C)[nH]c2c1=O 67299600 IZDZPOOUBVNHTC-HUUCEWRRSA-N 428.558 3.982 0 40 IHAB O=C(Nc1ccc(N2CCCCC2)cc1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 7950238 CTTIWFSOWTWUML-JOCHJYFZSA-N 427.570 3.859 0 40 IHAB CCOc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(SC)cc2)CC1 9094982 CLLSRKUBTHSXPB-UHFFFAOYSA-N 434.583 3.847 0 40 IHAB Cc1ccc(C)c(OCc2nnc(S[C@H](C)C(=O)N3CC(=O)Nc4ccccc43)o2)c1 16908812 GFNQOQNAJJXLSK-OAHLLOKOSA-N 438.509 3.731 0 40 IHAB CCOc1ccc([C@@H]2Nn3c(nnc3-c3ccccc3)S[C@@H]2C(=O)NCC(C)C)cc1 9238465 GKCUDAWWWYSRHN-PMACEKPBSA-N 437.569 3.875 0 40 IHAB C[C@H](Oc1ccccc1F)c1nnc(SCC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)o1 9459878 OJSGYQSRWMRCFG-ZDUSSCGKSA-N 444.488 3.888 0 40 IHAB COc1ccc(NC(=O)CN(C)C(=O)CCC(=O)c2ccc(Br)cc2)cc1 9535850 LCYGOHBVBJBABY-UHFFFAOYSA-N 433.302 3.518 0 40 IHAB CC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)N[C@@](Cc3ccccc3)(c3ccccc3)C2=O)c1C 9620783 UILZRRKVQVQOHM-SANMLTNESA-N 443.503 3.707 0 40 IHAB COc1ccc(NC(=O)C[C@@](O)(c2nccn2C)C(F)(F)F)cc1OC1CCCC1 72274641 IQCDZMYWLBNANE-LJQANCHMSA-N 427.423 3.529 0 40 IHAB COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(Br)cc2)[nH]1)C(C)C 95601765 TZHRRTXGQGGNBM-IRXDYDNUSA-N 449.349 3.883 0 40 IHAB CCc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1CC 95995707 QABZCJGCUGOKGF-UHFFFAOYSA-N 445.566 3.808 0 40 IHAB O=C(CN1C(=O)c2cccc3cccc1c23)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 89807937 DYCKGRPQUHFPBC-UHFFFAOYSA-N 449.532 3.613 0 40 IHAB CC(C)C(=O)Nc1ccc2[nH]cc([C@H](C(=O)O)N3CCN(c4ccc(F)cc4)CC3)c2c1 36360752 OKAABWDNEAJVHH-JOCHJYFZSA-N 438.503 3.849 0 40 IHAB CCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)c2ccccc2)cc1 408662332 RHYNECNSPIXDHB-BZRIBIQUSA-N 449.503 3.890 0 40 IHAB CC[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccc(OC)cc1 20491017 VLFLURWEJSKVLK-QFIPXVFZSA-N 430.570 3.505 0 40 IHAB CC(C)n1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1[C@@H](C)NC(=O)c1ccccc1 67192635 PQQLQUKFQNCCGH-OAHLLOKOSA-N 448.552 3.879 0 40 IHAB COc1ccc(N(CC(=O)NC2CCCCC2)S(=O)(=O)c2cc(C)ccc2OC)cc1 33656488 PDXUWTDWKBLKJC-UHFFFAOYSA-N 446.569 3.656 0 40 IHAB Cc1cccc(N2C(=O)C[C@]3(CSc4[nH]c(=O)sc4[C@@H]3c3ccccc3O)C2=O)c1 32594734 JQFGAWIBJBEFOV-HTAPYJJXSA-N 438.530 3.638 0 40 IHAB COc1ccc(C(=O)Nc2cccc(OCc3cc(=O)n4ccc(C)cc4n3)c2)cc1OC 33268629 QCFCBAKEQTYKKR-UHFFFAOYSA-N 445.475 3.851 0 40 IHAB COc1cccc(C(=O)Nc2ccccc2C(=O)NCCc2ccc(OC)c(OC)c2)c1 408563845 RUSOJSDSGJAPES-UHFFFAOYSA-N 434.492 3.937 0 40 IHAB CCCCn1nc(C)c2c(C(=O)NCCn3cc(Br)cn3)cc(C3CC3)nc21 36616782 MHUAVUFKIFOPBT-UHFFFAOYSA-N 445.365 3.806 0 40 IHAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)Oc1ccc(Br)cc1 36892398 MGYDYMMUQKSLGE-ORAYPTAESA-N 445.313 3.598 0 40 IHAB COc1cccc(-c2noc(CN(C)C(=O)C3CCN(Cc4ccc(F)cc4)CC3)n2)c1 219426223 QLWXFRZYFVPROY-UHFFFAOYSA-N 438.503 3.755 0 40 IHAB CS(=O)(=O)c1ccc(N(CCN2CCCC2)Cc2ccc(Cl)c(Cl)c2)nc1 561259684 SMHSKQVWRWXLMD-UHFFFAOYSA-N 428.385 3.894 0 40 IHAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1 223731208 WMSPOQJCSXDLMJ-RUZDIDTESA-N 446.547 3.850 0 40 IHAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc2c(c1)OCO2 223511218 WORKPLKNUVPIHQ-GOSISDBHSA-N 440.540 3.690 0 40 IHAB COc1cc(OC)cc(OCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NCC(C)C)c1 224133108 NHSWEWDGAUVQJG-LJQANCHMSA-N 442.556 3.581 0 40 IHAB CN(CC(=O)NCCSCc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 224944014 IWGYLAKGNQYHTC-UHFFFAOYSA-N 447.409 3.664 0 40 IHAB CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cccc(C(=O)O)c2)o1 223284807 FSAVXTXNYWPRMQ-NHCUHLMSSA-N 436.537 3.574 0 40 IHAB C[C@@H](CC(C)(C)c1ccccc1)NC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O 224705808 CHACIVDHDZZZDF-JKSUJKDBSA-N 438.540 3.992 0 40 IHAB Cc1ccc(SCCNC(=O)CCCN(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 222676438 DRLXHYSQTOAUFL-UHFFFAOYSA-N 442.553 3.728 0 40 IHAB Cc1cnc(CNC(=O)c2cc3c(c4ccccc4n3CC3CC3)n2-c2ncccn2)cn1 96146542 BDEHWVSAEFJLGM-UHFFFAOYSA-N 437.507 3.814 0 40 IHAB CC(C)CN1CC2(CCN(C(=O)c3cccs3)CC2)COc2ccccc2S1(=O)=O 96037163 ZWYNCSYEYRNZNI-UHFFFAOYSA-N 448.610 3.710 0 40 IHAB CCOc1cc(/C=C2/N=C(c3ccccc3C)OC2=O)cc(Cl)c1OCC(=O)N(C)C 97987598 WJXFCXRESQQILH-WOJGMQOQSA-N 442.899 3.859 0 40 IHAB CNc1nc([C@@H]2CCN(Cc3cccc(OC4CCCC4)c3)C2)nc2c1CN(C(C)=O)CC2 257262785 LMXBAVJPTIFOBR-HXUWFJFHSA-N 449.599 3.734 0 40 IHAB Cc1cc(Oc2ccccc2)nc(C2CCN(Cc3ccnc(N4CCOCC4)n3)CC2)n1 257222027 DROXAPBIBFSVSX-UHFFFAOYSA-N 446.555 3.584 0 40 IHAB COc1ccc(N(CCCC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)cc1 260507558 MONRHNVFCBPJCT-FQEVSTJZSA-N 446.569 3.660 0 40 IHAB Cc1ccc2c(c1)[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c3ccccc3)C1)CC(C)(C)O2 260910383 YFSCTPJSOCUABJ-GHTZIAJQSA-N 442.581 3.814 0 40 IHAB O=S(=O)(Nc1cnc(N2CCN(c3ccccc3)CC2)nc1)c1ccc2ccccc2c1 96024360 NVLRGKMQTCMNLL-UHFFFAOYSA-N 445.548 3.757 0 40 IHAB COc1ccc(NC(=O)c2cc3c(N(C)Cc4ccccc4)nc(C)cn3n2)cc1OC 169776969 FPYZXPPCNVJFIM-UHFFFAOYSA-N 431.496 3.944 0 40 IHAB Cc1c(Cl)cccc1NC(=O)[C@H](C)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 11073837 ASVSFFBKFRLWFC-HOCLYGCPSA-N 442.947 3.671 0 40 IHAB COc1ccc(CNC(=O)c2ccc(F)c(S(=O)(=O)Nc3ccccc3OC)c2)cc1 12552497 YSBYIGDZDJLIRG-UHFFFAOYSA-N 444.484 3.574 0 40 IHAB Cc1cccc(C(=O)N[C@@H](C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)C(C)C)c1 12791654 BDXOEEQVPSBHPN-LJQANCHMSA-N 436.430 3.950 0 40 IHAB Cc1ccccc1[C@@H](C)NC(=O)COC(=O)c1ccccc1SCC(=O)NC(C)C 13038921 FKSBCNYXUWZNET-QGZVFWFLSA-N 428.554 3.646 0 40 IHAB COc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1C(=O)N1CCC(C)CC1 14399382 XRLYWFSCCIRSKB-UHFFFAOYSA-N 436.961 3.699 0 40 IHAB COc1ccc(NC(=O)[C@H]2C[C@H]3CCCN3[C@@]23C(=O)Nc2c(C)cc(Cl)cc23)cc1 15972861 NXXMKOFORGUWMC-ZDWFVDTJSA-N 425.916 3.927 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1NC(=S)NC[C@H]1CCCO1 16220321 UWPKTHBEIKCKGQ-MRXNPFEDSA-N 439.990 3.915 0 40 IHAB COc1ccc(CN2CCNC(=O)[C@H](Cc3cccc(-c4cccnc4)c3)C2)c(OC)c1 19552437 REBOLACGZASKBT-HSZRJFAPSA-N 431.536 3.557 0 40 IHAB COc1cccc(OC)c1CN1CCC[C@H]([C@@H](NC(=O)c2ccccn2)c2ccccn2)C1 19567046 DIMAJWSELOWJCI-UQBPGWFLSA-N 446.551 3.877 0 40 IHAB CSCC[C@H](NC(=O)c1c(C)oc2c1CCCC2)c1cc(=O)[nH]c(-c2ccccn2)n1 19581325 DGQLKUCYTRIHKY-INIZCTEOSA-N 438.553 3.836 0 40 IHAB O=C(CN1CCO[C@@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1)N1CCCCC1 19693157 LIJLZDKGMHIDNC-GOSISDBHSA-N 434.462 3.548 0 40 IHAB COC(C)(C)C(=O)N1CCC[C@](O)(c2nc(C)c(CCOc3ccccc3)s2)CC1 19705239 FZDZLBAUXXWYRA-HSZRJFAPSA-N 432.586 3.698 0 40 IHAB CC(C)Oc1cccc(CN2C[C@@H](c3c(F)cccc3F)[C@@]3(COCCC(=O)N3)C2)c1 19450909 MXPTWHUDRRESEM-CYFREDJKSA-N 430.495 3.627 0 40 IHAB CNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCN(Cc2c(OC)cccc2OC)C1 19591667 ZQMQMNZXPNHFBR-MHZLTWQESA-N 445.563 3.947 0 40 IHAB NC(=O)NC[C@@H]1CCCN(CC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)C1 32935679 QAYGIYPXLZGXIY-HNNXBMFYSA-N 432.977 3.810 0 40 IHAB Cc1nn(C(=O)CNS(=O)(=O)c2ccccc2)c(C)c1Sc1ccc(Cl)cc1 1471302 JNDAGAXOGUNWDS-UHFFFAOYSA-N 435.958 3.923 0 40 IHAB O=C(CCCCCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)NCc1ccccc1 2974391 LAXGXLALAFILRF-UHFFFAOYSA-N 425.510 3.665 0 40 IHAB Cc1cc2cc(CNC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)ccc2n1C 4061576 RDTQUASSWSNUPV-UHFFFAOYSA-N 425.554 3.591 0 40 IHAB aggregator CCOC(=O)C[C@H](NS(=O)(=O)c1ccc(OC)c2ccccc12)c1ccc(OC)cc1 8856183 KFJWGTKEJDZFLT-FQEVSTJZSA-N 443.521 3.830 0 40 IHAB COc1ccc(OC)c(NC(=O)CSc2nnc3ccc(-c4ccc(F)cc4)nn23)c1 9241229 SEXSMSFOSPFHFH-UHFFFAOYSA-N 439.472 3.678 0 40 IHAB COc1ccc(C)cc1NC(=O)C(=O)NCCc1sc(-c2cccc(F)c2)nc1C 17026234 VDGUBNZULKAYND-UHFFFAOYSA-N 427.501 3.872 0 40 IHAB CC(=O)c1cccc(NC(=O)Cn2cc(-c3nc(-c4ccc(C)cc4)no3)ccc2=O)c1 33170487 JBIUDGNFHOAONR-UHFFFAOYSA-N 428.448 3.715 0 40 IHAB O=C(c1cc(-c2cccs2)[nH]n1)N1CCC(Cn2nc(-c3ccccc3)ccc2=O)CC1 585147533 GPBXCJRKBVYCMZ-UHFFFAOYSA-N 445.548 3.914 0 40 IHAB COc1ccc(Nc2nc(Nc3ccc(F)c(Cl)c3)nc(N3CCOCC3)n2)cc1 9708869 SGYRCDHOCSDTMH-UHFFFAOYSA-N 430.871 3.997 0 40 IHAB CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)N(C)CC(=O)Nc2cccc(F)c2)CC1=O 13009307 BDLKAVKORHZDKA-IRXDYDNUSA-N 425.504 3.789 0 40 IHAB Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1ccccc1)N(CCN1CCOCC1)C3=O 20308696 SFLBHMNDHLWJGC-NRFANRHFSA-N 438.911 3.632 0 40 IHAB Cc1cc2cc(CN(CCCN3CCOCC3)C(=O)Nc3ccccc3)c(=O)[nH]c2cc1C 880327 LHQWJLLCLAUUKE-UHFFFAOYSA-N 448.567 3.901 0 40 IHAB C[C@H](Sc1nnc2n(C)c(=O)c3c4c(sc3n12)CCCC4)C(=O)Nc1ccccc1 1306053 GEKIMBWRYIPDRR-LBPRGKRZSA-N 439.566 3.641 0 40 IHAB COc1ccc(CCN(Cc2nc3ccccc3c(=O)[nH]2)C(=O)c2cccs2)cc1OC 1359748 ZCUACSFWGWEVHG-UHFFFAOYSA-N 449.532 3.887 0 40 IHAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3cc(-c4cccs4)n[nH]3)CC2)cc1 1387663 DNQGBIFKJNVIML-UHFFFAOYSA-N 430.555 3.665 0 40 IHAB Cc1ccc(CS(=O)(=O)c2nc3c(c(S(=O)(=O)C4CCCCC4)n2)CCCC3)cc1 1393094 QEXWIRSUJQKTHZ-UHFFFAOYSA-N 448.610 3.744 0 40 IHAB COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCC(C)C)CC(=O)N32)c1 2100701 ZRMGYFFYBVKXNF-WIOPSUGQSA-N 431.536 3.908 0 40 IHAB biogenic C[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 2122872 VQJMILKSUUHGTB-RJYGXOMWSA-N 425.525 3.593 0 40 IHAB biogenic COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccccc3)c(=O)c2[C@H]1c1cccc(Cl)c1 2249945 MJDPHXYKKGQWQA-LJQANCHMSA-N 436.895 3.726 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1 2617318 BZXFDPYAUWNFJS-UHFFFAOYSA-N 437.517 3.709 0 40 IHAB CCOC(=O)C1=C(C(F)(F)F)NC(=O)N[C@@H]1c1c(C)nn(-c2ccccc2)c1Cl 3236494 RZDZVQYVMIIYCW-CYBMUJFWSA-N 428.798 3.568 0 40 IHAB COc1cc(CC(=O)OCCOc2ccc(Br)cc2)cc(OC)c1OC 3300686 GZAWFHKDPXYAIC-UHFFFAOYSA-N 425.275 3.640 0 40 IHAB CCc1ccc(CN(C(=O)COc2ccc(C(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 4183216 UZRHKYIRIYCFOW-QFIPXVFZSA-N 429.582 3.967 0 40 IHAB CCSc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 5203256 RBYMBFVKGIFJKT-QGZVFWFLSA-N 429.538 3.975 0 40 IHAB CC(C)Cn1c(SCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)nc2ccccc21 6054552 GQULZVOIPMOKEX-UHFFFAOYSA-N 446.598 3.673 0 40 IHAB CCn1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1ccc(Cl)cc1C 6878380 HWTDKJJLNJVFGF-UHFFFAOYSA-N 433.921 3.514 0 40 IHAB CCOc1ccc([C@H]2Nn3c(nnc3-c3ccccc3)S[C@H]2C(=O)NCC(C)C)cc1 9238461 GKCUDAWWWYSRHN-WOJBJXKFSA-N 437.569 3.875 0 40 IHAB CCn1c(SCC(=O)Nc2ncc3c(n2)CCCC3=O)nnc1-c1ccc(Cl)cc1 9287328 IUKXSXUJASZUAB-UHFFFAOYSA-N 442.932 3.658 0 40 IHAB COc1ccc(CNc2nc(-c3cccnc3)nn2C(=O)c2cccc(C)c2)cc1OC 9288885 CDLXDRYVAZDSGX-UHFFFAOYSA-N 429.480 3.966 0 40 IHAB COc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)cc(Br)c1O 9296152 JNFHGEVWNNKXJV-ZROIWOOFSA-N 425.348 3.896 0 40 IHAB COc1ccc2nc(-c3ccccc3)cc(C(=O)OCC(=O)N3C[C@@H](C)O[C@H](C)C3)c2c1 9352854 VOANQIUDSSRLQH-IAGOWNOFSA-N 434.492 3.703 0 40 IHAB CCc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)Nc3ccc(N4CCOCC4)cc3)n2)cc1 9368136 DISBZOZRKRVLAG-INIZCTEOSA-N 437.569 3.990 0 40 IHAB O=C(COc1ccccc1C(=O)NCc1ccccn1)Nc1ccc(Br)cc1 9631632 GAVARGQWNULIAA-UHFFFAOYSA-N 440.297 3.792 0 40 IHAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COc1ccccc1-c1ccccc1 9664903 GWIMBOZOCFMCAN-UHFFFAOYSA-N 440.521 3.630 0 40 IHAB COc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc3ccccc3c2)c(OC)c1 9668447 GDXCRELBIGNDSQ-NRFANRHFSA-N 440.521 3.649 0 40 IHAB CC(=O)N(c1ccccc1)c1nc(COC(=O)C[C@H]2Oc3ccccc3NC2=O)cs1 9669737 IMYSYFIYWRIZOD-LJQANCHMSA-N 437.477 3.661 0 40 IHAB COc1cc2nc(SCC(=O)Nc3ccc(C)c(F)c3)n3nc(C)nc3c2cc1OC 9838728 AYWTUYFRGCTMGG-UHFFFAOYSA-N 441.488 3.781 0 40 IHAB COc1ccc(NC(=O)C[C@H](C)CC(=O)N2CCN(c3ccc(F)cc3)CC2)c(OC)c1 9849587 VLWBVHFZQKMXMP-KRWDZBQOSA-N 443.519 3.547 0 40 IHAB COCCNc1nnc(SCc2nnc(-c3c(-c4ccccc4)noc3C)o2)s1 9873198 JNICXZPGTPCHBM-UHFFFAOYSA-N 430.515 3.902 0 40 IHAB COC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2ccccc2)c1 9907875 MYRBCTOPSFTQBA-UHFFFAOYSA-N 443.503 3.688 0 40 IHAB CCOc1ccc([C@@H]2CCCN2C(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 9953644 HSIKIZFLLOGUNK-QFIPXVFZSA-N 428.554 3.847 0 40 IHAB O=C1CSc2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3)cc2N1 10027493 KILCPTPPPCIGHR-UHFFFAOYSA-N 445.566 3.548 0 40 IHAB CCS(=O)(=O)c1ccc(CC(=O)Nc2nnc(-c3ccc4c(c3)CCCC4)o2)cc1 10253212 ORUKWGZNPZVDDW-UHFFFAOYSA-N 425.510 3.590 0 40 IHAB CCN(CC)Cc1ccccc1CNC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 10283701 COJHHTPUPUTHRD-UHFFFAOYSA-N 445.519 3.848 0 40 IHAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)c1C 10443158 WQQRHMNTTBVIPQ-CQSZACIVSA-N 438.933 3.618 0 40 IHAB CN(Cc1ccccc1N1CCOCC1)C(=O)C1CCN(c2nc3ccccc3o2)CC1 10824099 PIRKSJMBGYMQSS-UHFFFAOYSA-N 434.540 3.539 0 40 IHAB COc1cccc(NC(=O)Cn2nc(C(C)C)c3cnn(-c4ccc(C)c(C)c4)c3c2=O)c1 11027706 XHNQSARPVKMPBW-UHFFFAOYSA-N 445.523 3.970 0 40 IHAB COc1cc(NC(=O)COC(=O)c2c(C)nn(-c3ccccc3)c2C)c(OC)cc1Cl 11323054 SERBFZJPKGGRLG-UHFFFAOYSA-N 443.887 3.955 0 40 IHAB C[C@@H](Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)C(=O)Nc1ccccc1F 11363733 PVQLNCVOJKJJPT-CABCVRRESA-N 427.501 3.834 0 40 IHAB CC(=O)NCCc1ccc(-c2csc(NC(=O)c3cccc(N4CCCC4=O)c3)n2)cc1 11502065 PTPGEEAGMLETNL-UHFFFAOYSA-N 448.548 3.868 0 40 IHAB CC(C)c1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)c2ccc3c(c2)OCO3)n1 11855565 DXLHPPVKXPGHDE-UHFFFAOYSA-N 449.492 3.789 0 40 IHAB CC(=O)Nc1ccc(S(=O)(=O)Oc2cc3oc(=O)c4c(c3cc2Cl)CCC4)cc1 11865518 NWJMSRDOHGYAJX-UHFFFAOYSA-N 433.869 3.661 0 40 IHAB COc1ccc(-c2csc(SCC(=O)N3CCN(c4ccccn4)CC3)n2)cc1 12173038 RCALNFZPQQHDBJ-UHFFFAOYSA-N 426.567 3.655 0 40 IHAB Cc1cc(=O)n2c3c(cc(S(=O)(=O)N(C)CC45CC6CC(CC(C6)C4)C5)cc13)CC2 12444903 NMSWTPOJSSNLCQ-UHFFFAOYSA-N 426.582 3.703 0 40 IHAB CC(=O)c1ccc(N2CCN(Cn3ncn(-c4ccccc4F)c3=S)CC2)c(F)c1 12514958 AZEGTUNYSVGDSV-UHFFFAOYSA-N 429.496 3.664 0 40 IHAB Cc1ccccc1OCCn1c(=O)c2c(ncn2C2CCCC2)n(Cc2ccccc2)c1=O 12532330 HJSJNAAWMQFQBV-UHFFFAOYSA-N 444.535 3.911 0 40 IHAB Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N1CCC[C@@H](C(F)(F)F)C1 12906667 VDKLHNLYQYOSAX-QGZVFWFLSA-N 440.487 3.888 0 40 IHAB Cc1ccc(C)c(NC(=O)[C@H](OC(=O)CCCCCNS(C)(=O)=O)c2ccccc2)c1 13037797 XLMRKUPXKISFIZ-JOCHJYFZSA-N 446.569 3.636 0 40 IHAB CC1CCN(C(=O)CSc2nc3ccccc3n2CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 13082965 KYWWBWNJDHESBL-KDURUIRLSA-N 442.629 3.891 0 40 IHAB CN(C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)[C@@H]1CCS(=O)(=O)C1 13121261 BDWVPRQETKWSPL-QGZVFWFLSA-N 432.492 3.691 0 40 IHAB Cc1cc(C)n([C@H](C)CC(=O)N2CCC[C@@H](c3nc4ccc(F)cc4cc3C(N)=O)C2)n1 13225330 AYDQLYCTNOLLQQ-IAGOWNOFSA-N 437.519 3.643 0 40 IHAB Cc1ccc(C)c(N(CC(=O)NC2CCCC2)C(=O)CCC(=O)Nc2nccs2)c1 13501699 VCRJQTBKBSFISA-UHFFFAOYSA-N 428.558 3.571 0 40 IHAB CCC(C)(C)n1nnnc1[C@H](c1ccccc1Cl)N1CCN(C(=O)c2ccco2)CC1 13504185 OFMVQIFJXFYVLS-IBGZPJMESA-N 442.951 3.612 0 40 IHAB CC[C@@H](C(=O)Nc1ccccc1Br)N(c1ccc(F)cc1)S(C)(=O)=O 13715274 HBDVCOGFZXQMDC-INIZCTEOSA-N 429.311 3.772 0 40 IHAB CC(=O)Nc1ccc(C(=O)Nc2nnc([C@H]3CC(=O)N(c4ccc(C)cc4)C3)s2)cc1 13944308 RHPVKYJROFEKEH-INIZCTEOSA-N 435.509 3.578 0 40 IHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 14594882 MMCPHPYYYJGZIZ-UHFFFAOYSA-N 442.512 3.547 0 40 IHAB CCOc1ccc(C2=N/C(=C\c3ccc(OC(C)=O)c(OC)c3)C(=O)O2)cc1OCC 15262356 AGCKGNWVSUHJPP-BOPFTXTBSA-N 425.437 3.762 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cc(Cl)cc(Cl)c1 15435116 GYBCPUPJTOBVBO-UHFFFAOYSA-N 429.325 3.575 0 40 IHAB CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)S(=O)(=O)N=C(C)N3CC(C)C)cc1 15867719 RTGNZLZAZTZHQF-UHFFFAOYSA-N 443.525 3.699 0 40 IHAB Cc1ccc(Cl)cc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 15992249 TWOOLEDBQCSHKD-UHFFFAOYSA-N 429.325 3.575 0 40 IHAB NC(=O)c1c(NC(=S)NC(=O)COc2ccc(Cl)cc2Cl)sc2c1CCC2 16385103 CBVFJZASBRXDEG-UHFFFAOYSA-N 444.365 3.535 0 40 IHAB Cc1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)cc1S(=O)(=O)N1CCCCC1 18702493 GHHPJRWGRNSQPD-UHFFFAOYSA-N 442.566 3.940 0 40 IHAB CSCC[C@H](NC(=O)c1cc2c(C)cccc2[nH]1)c1cc(=O)[nH]c(-c2ccccn2)n1 19236679 GUXVYTMMIZISBC-KRWDZBQOSA-N 433.537 3.846 0 40 IHAB O=C(CCc1ccc2c(c1)OCO2)NCCn1ncc(-c2cnccn2)c1-c1cccs1 19344033 NZEBVCZJULGMBZ-UHFFFAOYSA-N 447.520 3.546 0 40 IHAB O=C(Cn1ccnc1)N1CC[C@@H](c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)C1 19344207 HKRHGVWDNSQMDG-CYBMUJFWSA-N 446.458 3.689 0 40 IHAB O=C(c1ccc2ccccc2c1)[C@@H]([C@@H](c1ccccc1)N1CCOCC1)N1CCOCC1 19366041 CQVAZCMDGXTNBW-CLJLJLNGSA-N 430.548 3.797 0 40 IHAB CC(=O)Nc1ccc(Oc2cc(C)nc([C@@H]3CCCN(C(=O)c4ccnn4C)C3)c2)cc1 19570331 HEOMCWDRYKVBNR-GOSISDBHSA-N 433.512 3.894 0 40 IHAB Cc1cc(Cc2ccc(Cl)cc2)cc([C@@H]2CCCN2S(=O)(=O)c2cn(C)cn2)n1 19691895 WDGQSCUOCWJRAO-FQEVSTJZSA-N 430.961 3.894 0 40 IHAB Cc1nc([C@@H]2CCCCN2C(=O)c2nccn2C)nc2c1CCCN2CCc1ccccc1 19707905 GMMWADRCVUDDES-QFIPXVFZSA-N 444.583 3.881 0 40 IHAB O=C(Nc1ccc(F)c(F)c1)[C@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 19860470 JPIGTBMWFXSASA-AWEZNQCLSA-N 428.888 3.799 0 40 IHAB COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(F)cc3)C2)cc1Cl 19862749 SIYWJVLHVKPARF-HNNXBMFYSA-N 440.924 3.668 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2OC)c2ccccc2F)cc1 22382914 QIPFOJCXRIONFL-UHFFFAOYSA-N 444.484 3.677 0 40 IHAB COC(=O)c1cc(CSCC(=O)Nc2ccccc2I)oc1C 23414373 OTJCLIAGMIUOBX-UHFFFAOYSA-N 445.278 3.851 0 40 IHAB O=C(CN1CCC(c2nc3ccccc3s2)CC1)N1CCN(Cc2cccs2)CC1 23881991 ZTFFSZOZDNFKDQ-UHFFFAOYSA-N 440.638 3.882 0 40 IHAB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)Cc2cnn(-c3ccccc3)c2)c1 24357756 UJEKLMZHKKVNCD-UHFFFAOYSA-N 446.532 3.879 0 40 IHAB FC(F)(F)Oc1ccc(CN2CCN(Cn3nc4n(c3=S)CCCCC4)CC2)cc1 26687730 UURPGJGGHOSDKC-UHFFFAOYSA-N 441.523 3.814 0 40 IHAB COCCNC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccccc2)c(OC)c1 28605468 DELFJLODZJVWQP-LICLKQGHSA-N 445.313 3.706 0 40 IHAB COc1ccc(NC(=O)[C@@H](OC(=O)[C@@H]2CCCN(C(C)=O)C2)c2ccccc2)cc1Cl 29895830 VEAYJGHPBUJHFO-UTKZUKDTSA-N 444.915 3.830 0 40 IHAB CCOc1cc(/C=C2/C(=O)N(c3ccc(CC)cc3)C(=S)N2CC(=O)OC)ccc1O 30855908 BVECFTVOAPKVND-PDGQHHTCSA-N 440.521 3.501 0 40 IHAB Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(N2CCN(C(=O)C(C)C)CC2)cc1 32125232 ORSCAEOBEKWGFQ-UHFFFAOYSA-N 429.948 3.971 0 40 IHAB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC(c1ccccc1)c1ccccc1 32450510 BUUNXLNRXFHWCT-INIZCTEOSA-N 428.941 3.913 0 40 IHAB Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N(Cc1ccc3c(c1)OCO3)C1CCCC1)C2=O 32731045 DWRQQARYYRIRDE-MRXNPFEDSA-N 434.492 3.680 0 40 IHAB Cn1c(CNC(=O)/C=C/c2ccccc2Cl)nnc1SCc1ccc([N+](=O)[O-])cc1 33721779 XGDSMIYKCQUNJD-DHZHZOJOSA-N 443.916 3.999 0 40 IHAB CCOC(=O)c1c(NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)sc(C)c1C 36394803 ARAYVIZNMRNQRM-UHFFFAOYSA-N 436.555 3.506 0 40 IHAB COc1cc2c(cc1NC(=O)c1cc(S(=O)(=O)N3CCCC3)c[nH]1)oc1ccccc12 39994067 CMPSQGBBRAQEGG-UHFFFAOYSA-N 439.493 3.960 0 40 IHAB O=C(CCn1c(S)nnc1-c1cccs1)NCc1ccc(OC(F)(F)F)cc1 40024241 QGZYWKRYDLTECU-UHFFFAOYSA-N 428.461 3.900 0 40 IHAB O=C(Nc1ccc(F)cc1)Nc1nnc(SCc2cc(=O)n3ccccc3n2)s1 41086070 ANTPQKTVUDEVFW-UHFFFAOYSA-N 428.474 3.621 0 40 IHAB Cc1ccc(-c2noc(Cn3c(=O)n(Cc4ccccc4)c(=O)c4sccc43)n2)cc1C 48985912 DOUGELMBFOOTRM-UHFFFAOYSA-N 444.516 3.988 0 40 IHAB CCCCn1c(SCC(=O)NCc2ccc(OC)c(OC)c2)nc2ccsc2c1=O 57426426 FJMIRQNDOKOSTL-UHFFFAOYSA-N 447.582 3.684 0 40 IHAB Cc1cccc(NC(=O)Cn2c(=O)n(-c3cc(F)cc(F)c3)c(=O)c3sccc32)c1C 57429078 JUUNAPGCUUKHTP-UHFFFAOYSA-N 441.459 3.748 0 40 IHAB CCN(CC)c1ccc(-c2nnc(SCc3cc(=O)n4nc(C)sc4n3)o2)cc1 57978273 KVPYKRGGUCKTEN-UHFFFAOYSA-N 428.543 3.648 0 40 IHAB CCc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccccc4C(F)(F)F)ncn3n2)cc1 67208726 MHRDTCYEMQLLQX-UHFFFAOYSA-N 441.413 3.778 0 40 IHAB COc1cccc([C@H](C)NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2CC(C)C)c1 67319710 MPJOISFSHUOVPM-HNNXBMFYSA-N 428.558 3.667 0 40 IHAB CCCC(=O)N1CCC[C@H]1c1cc2nc(C)c(CCC(=O)NC3CCCC3)c(C)n2n1 72351290 FVMPRMCHNAAKJT-NRFANRHFSA-N 425.577 3.801 0 40 IHAB CC(C)Cn1nc(C(=O)N2CC[C@H](OCCCc3ccccc3)C2)c2ccccc2c1=O 79024726 VMNUXUYBSVHBLP-NRFANRHFSA-N 433.552 3.916 0 40 IHAB O=C(Nc1ccnn1-c1ccncc1)C(=O)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1 95461345 MSRRCEIDXCTAAR-OAQYLSRUSA-N 447.445 3.584 0 40 IHAB COc1cccc(O[C@H](C)C(=O)N(C)Cc2nc(-c3cccc(Br)c3)no2)c1 95482343 JNOXEXJSLYWJOE-CYBMUJFWSA-N 446.301 3.934 0 40 IHAB COC(=O)C[C@@H](c1c(O)n[nH]c1Cc1ccc(OC)cc1)c1coc2ccccc2c1=O 96114581 SXBHXLPRQRUBFH-QGZVFWFLSA-N 434.448 3.516 0 40 IHAB biogenic C[C@H](Sc1nnc(N2CCCC2)n1Cc1ccco1)C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 106859625 XGGYIMPWPBHKIG-NSOKGPEJSA-N 443.617 3.941 0 40 IHAB CC[C@H](NC(=O)c1ccc(C)c(N2CCCCS2(=O)=O)c1)c1ccc(OC)c(OC)c1 222577738 LXQBQYCIANWEKU-IBGZPJMESA-N 446.569 3.823 0 40 IHAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1cccc(C)c1 222588727 BMCJKAMAAZRQSJ-DEOSSOPVSA-N 434.511 3.899 0 40 IHAB COC(=O)c1cn(C(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c2ccccc12 222597626 FVUGYHMYTJCJCM-CYBMUJFWSA-N 434.901 3.576 0 40 IHAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1C1CC1 223174336 CKIMAFZHCHAHPC-PKTZIBPZSA-N 439.629 3.530 0 40 IHAB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)N[C@H](C)c2ccc3c(c2)CCC3)CC1 223213867 OEMPJNXMVUCGTR-LJQANCHMSA-N 440.609 3.903 0 40 IHAB CCN(c1ccc(C(=O)NCCOc2cccc3ccccc23)cc1)S(=O)(=O)CC 223568433 CWOVBRBHTRDZIL-UHFFFAOYSA-N 426.538 3.825 0 40 IHAB COc1cccc(CNC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3F)c2)c1 224488827 VIJXENZYTXGMHJ-UHFFFAOYSA-N 428.485 3.589 0 40 IHAB CS(=O)(=O)N(CC(=O)Nc1ccc(N2CCCC2)cc1)c1cccc(C(F)(F)F)c1 224904849 MCVNBGOJAVESSR-UHFFFAOYSA-N 441.475 3.710 0 40 IHAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)Nc3ccc(N4CCCC4)cc3)CC2)cc1 224922277 RDHGGQDBKVFRGW-UHFFFAOYSA-N 441.597 3.776 0 40 IHAB CCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCc1ccc2c(c1)OCO2 225278990 FPJPICJQLVLOQP-FQEVSTJZSA-N 428.504 3.821 0 40 IHAB CC1(C)Cc2cccc(OCC(=O)NC[C@](O)(c3ccsc3)c3cccs3)c2O1 238973973 ZRAZTSDOGIWSFC-QFIPXVFZSA-N 429.563 3.954 0 40 IHAB CNc1nc(C)c(C(=O)N2CCO[C@H](c3cc(Nc4ncccc4C)cc(C)n3)C2)s1 257221944 DRGCDPYJJVOYTG-SFHVURJKSA-N 438.557 3.857 0 40 IHAB COCCc1ncc(CN2CCO[C@H](c3cc(Cc4ccc(C)cc4)cc(C)n3)C2)cn1 257261962 LJLUIOBUQYJTIQ-VWLOTQADSA-N 432.568 3.842 0 40 IHAB CCn1c(CN2CCO[C@@H](c3cc(CCOc4ccccc4)n(C)n3)C2)nc2ccccc21 257262045 LJUZTZOXFAXSFJ-RUZDIDTESA-N 445.567 3.985 0 40 IHAB Cc1c(C(=O)N2CCNC(=O)[C@@H]2Cc2ccc(-c3cccnc3)cc2)[nH]c2ccc(F)cc12 257265610 LZKMDIWMCMAAPE-QHCPKHFHSA-N 442.494 3.861 0 40 IHAB Cc1c(C(=O)N2CCC[C@](COc3ccc(F)cc3)(CC(N)=O)C2)c2ccccc2n1C 257289140 PXDKQBUPWKGVNU-VWLOTQADSA-N 437.515 3.803 0 40 IHAB Cc1cccc(CC(=O)N2CC[C@H](c3nc(C)c(CC(=O)NC4CCCCC4)c(C)n3)C2)c1 257321071 VZZARLNLEONMJE-QFIPXVFZSA-N 448.611 3.952 0 40 IHAB CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)Cn1nc(C)cc1C 257330668 XPJXOHCYPGAUDV-CAIUVPPLSA-N 434.584 3.502 0 40 IHAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1C 408620251 IYJIWGVTEYIYQG-CYBMUJFWSA-N 430.448 3.718 0 40 IHAB COc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 408671066 YIAVOUXVTJIVPW-UHFFFAOYSA-N 425.268 3.903 0 40 IHAB CCOc1cc(Br)c(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)cc1OC 409195814 LCYDXGCYNJFAFZ-SXGWCWSVSA-N 431.286 3.949 0 40 IHAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@@H]3C)C2=O)cc(Cl)c1O 409202588 RTLIALZBYYOOJS-KPENOIPVSA-N 438.933 3.882 0 40 IHAB CC(=O)c1cccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c1 409393387 WAKKBYUQFPYUFI-UHFFFAOYSA-N 442.468 3.847 0 40 IHAB O=C1N[C@@H](c2ccc3c(c2)CCO3)C(=O)N1c1ccn(-c2cccc(C(F)(F)F)c2)n1 553141526 PVBFALDEPKEYGF-SFHVURJKSA-N 428.370 3.624 0 40 IHAB CC(C)Cn1nc(C(=O)NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)c2ccccc2c1=O 620608811 NFHUMZFPTDNPEX-KRWDZBQOSA-N 438.959 3.962 0 40 IHAB O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N1CCO[C@@H](c2ccc(F)cc2)C1 641956312 XWSOATNHSSBSOC-HXUWFJFHSA-N 449.507 3.864 0 40 IHAB Cc1nc2ccccc2c(C)c1Cc1nc(-c2cccc([C@]3(C)NC(=O)NC3=O)c2)no1 680736536 MUYWINYDMOWIQN-DEOSSOPVSA-N 427.464 3.547 0 40 IHAB COC(=O)c1c(NC(=O)COc2ccccc2C)sc(C(=O)N2CCCCC2)c1C 871452 YNVSTLBLWULDDT-UHFFFAOYSA-N 430.526 3.795 0 40 IHAB O=C1C=C(N2CCN(c3cccc(C(F)(F)F)c3)CC2)C(=O)N1c1ccc(Cl)cc1 973592 SIVIYKHMLVYRSI-UHFFFAOYSA-N 435.833 3.938 0 40 IHAB CCOC(=O)[C@@H](Cc1ccc(NC(=O)c2ccccc2)cc1)N1C(=O)c2ccccc2C1=O 1023073 LWSVVIKOILUTLM-JOCHJYFZSA-N 442.471 3.709 0 40 IHAB C[C@@](O)(CS(=O)(=O)Cc1ccc(Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 1388638 MJIOXURBVHAXRI-QGZVFWFLSA-N 435.851 3.663 0 40 IHAB Cc1oc2cc3oc(=O)c(CC(=O)N[C@@H](Cc4ccccc4)C(=O)O)c(C)c3cc2c1C 2103074 VJQGTGBVHYGNCT-FQEVSTJZSA-N 433.460 3.819 0 40 IHAB biogenic CCOC(=O)c1c(NC(=O)CN[C@@H]2CCCc3ccccc32)sc2c1CCN(CC)C2 3328003 VGGQRXMSVHYCNO-LJQANCHMSA-N 441.597 3.909 0 40 IHAB CSc1ccc(/C=C2\SC(=O)N(CCNC(=O)c3ccc(N(C)C)cc3)C2=O)cc1 3366461 SKIVBWAMWXPMFM-RGEXLXHISA-N 441.578 3.941 0 40 IHAB COc1ccc(CNC(=O)[C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)cc1OC 5246192 MUTGHSYPUABQSU-IBGZPJMESA-N 426.513 3.682 0 40 IHAB C[C@@H](Cc1nnc(SCC(=O)NC23CC4CC(CC(C4)C2)C3)n1N)c1ccccc1 6865272 RWJLKCMGCFYFTG-SCUMNGBJSA-N 425.602 3.515 0 40 IHAB COc1cccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)c1 9094881 AQFPVQVVNSLBDF-NRFANRHFSA-N 444.940 3.877 0 40 IHAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)Cn2c(CO)nc3ccccc32)cc1 9202707 IHLZKAARBNGVKJ-DEOSSOPVSA-N 440.503 3.915 0 40 IHAB CCCc1nnc2n1N[C@@H](c1ccc(OC)cc1)[C@@H](C(=O)Nc1ccccc1F)S2 9239108 VUZHNTIDJBJOQP-OALUTQOASA-N 427.505 3.776 0 40 IHAB COc1ccccc1NC(=O)CSc1nc(O)c2cnn(-c3cccc(Cl)c3)c2n1 9521257 VEIALHLCDMXTBV-UHFFFAOYSA-N 441.900 3.914 0 40 IHAB CCOC(=O)c1ccc2c(c1)nc(SCC(=O)c1ccc3c(c1)OCCO3)n2CC 9579994 ZCQARVPBUFPGIT-UHFFFAOYSA-N 426.494 3.979 0 40 IHAB Cn1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)c2[nH]c(=O)n(Cc3ccccc3)c(=O)c21 9659704 FVXQDWBMTFSRIC-UHFFFAOYSA-N 443.290 3.636 0 40 IHAB CNC(=O)c1ccsc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 9714976 LSEKCWLHYGKHQU-UHFFFAOYSA-N 449.941 3.814 0 40 IHAB CCS(=O)(=O)N1CCc2cc(-c3csc(Cc4nc5ccccc5n4C)n3)ccc21 9731371 WSFYORADGRCGDG-UHFFFAOYSA-N 438.578 4.000 0 40 IHAB C[C@H](Sc1nccn1-c1cccc(F)c1)C(=O)Nc1sc2c(c1C(N)=O)CCC2 9885187 RRJPGNQBBYAOSV-NSHDSACASA-N 430.530 3.780 0 40 IHAB COc1ccccc1CCNC(=O)CCc1csc(NC(=O)c2ccc(F)cc2)n1 11835097 PXKYSLIYRQMVAY-UHFFFAOYSA-N 427.501 3.835 0 40 IHAB CC(=O)Nc1ccc(OCC(=O)N2CCC(c3nc4ccccc4cc3N)CC2)cc1C 12087851 ARCWUKGVMNKKRX-UHFFFAOYSA-N 432.524 3.869 0 40 IHAB COc1ccc(CC(=O)N[C@H](c2ccc(Cl)cc2)c2nccn2C)c(OC)c1OC 12506282 PTPPZKPMVDBZPV-LJQANCHMSA-N 429.904 3.548 0 40 IHAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1[C@H]1Nc2ccccc2C(=O)N1C1CCCC1 12533714 PFRRUZKJEIPUOL-YWZLYKJASA-N 448.976 3.714 0 40 IHAB O=C(CN1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21)Nc1cc(Cl)ccc1F 12554295 YMABRMSOIOZBCG-FQEVSTJZSA-N 431.895 3.698 0 40 IHAB CN(C)c1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc4c(c3)OCO4)c2)cc1 12561124 NSACXRUZYXJQMD-UHFFFAOYSA-N 439.493 3.534 0 40 IHAB CCCc1cc(=O)[nH]c(S[C@H]2CCCC[C@H]2NS(=O)(=O)c2ccc(Cl)cc2)n1 12566768 HDWBVWSIUCNEEP-SJORKVTESA-N 442.006 3.758 0 40 IHAB O=C(NCc1ccc(C(F)(F)F)cc1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 12748038 SLIJCCQVBCSNAA-QGZVFWFLSA-N 446.878 3.828 0 40 IHAB C[C@H]1c2ccsc2CCN1C(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 12763609 NVAUIXIUSUUFBM-ZDUSSCGKSA-N 440.537 3.573 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1cc(O)nc2ccccc12 12803606 HTFGZDPWRRMEIR-UHFFFAOYSA-N 443.525 3.622 0 40 IHAB O=C(CSc1ccccc1C(=O)N1CCN(Cc2ccccc2)CC1)NCc1ccco1 12911864 CVVXFRYGMGFFAP-UHFFFAOYSA-N 449.576 3.646 0 40 IHAB O=C(CSC(=S)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)Nc1ccccc1Cl 13572294 OAGONESMOARMDR-UONOGXRCSA-N 433.986 3.578 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)cc1 13583118 GDINUYAOSGSGKR-UHFFFAOYSA-N 444.553 3.989 0 40 IHAB CCOc1ccc(C2=Nn3c(nnc3-c3cc(OC)c(OC)c(OC)c3)SC2)cc1 13752216 ORBDDVXDKLEZJN-UHFFFAOYSA-N 426.498 3.728 0 40 IHAB C[C@@H](C(=O)N[C@H]1CCCc2ccccc21)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 14093489 XAJNNGRZRDJOQX-JXFKEZNVSA-N 432.490 3.805 0 40 IHAB CCn1c(=O)n(CC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)c2ccccc21 14145718 WGPLKDOGYUFFSS-UHFFFAOYSA-N 449.532 3.889 0 40 IHAB COc1ccc(CN(C)C(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c(OC)c1 15440224 XLVFCJGSZFQULB-UHFFFAOYSA-N 446.550 3.838 0 40 IHAB COC(=O)c1cc(-c2cccs2)nc2c1c(-c1ccco1)nn2[C@H]1CCS(=O)(=O)C1 16850635 ROIZLKXDXGLDNO-LBPRGKRZSA-N 443.506 3.566 0 40 IHAB O=C(Nc1nc2c(F)cc(F)cc2s1)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 17170131 DRIGVNDCHPUVIL-LBPRGKRZSA-N 443.522 3.818 0 40 IHAB O=C1CCCC[C@]2(CN(Cc3cccc(Oc4ncccn4)c3)C[C@H]2c2ccccn2)N1 19402273 YJIKAWBHSVOEKR-SQJMNOBHSA-N 429.524 3.692 0 40 IHAB CCC(=O)Nc1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(F)ccc2O3)cc1 19499325 WJBWBACQVGDOPO-SFTDATJTSA-N 428.504 3.558 0 40 IHAB CNC(=O)[C@@]1(Cc2cccc(-c3cccs3)c2)CCCN(C(=O)c2cncc(N)c2)C1 19591168 NHWDOYORDTZOEC-XMMPIXPASA-N 434.565 3.603 0 40 IHAB Cn1cc(C(=O)NCc2ccc(F)cc2)c(CC2CCN(C(=O)c3ccccc3)CC2)n1 19756518 CAMUJUUPTNFUCE-UHFFFAOYSA-N 434.515 3.584 0 40 IHAB Cc1ccc([C@H](C)NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3O2)cc1 20461540 RZTBHTLFYBACHM-FDDCHVKYSA-N 436.533 3.829 0 40 IHAB Cc1ccc(CN(C(=O)c2cc(-c3ccc(C)c(F)c3)on2)[C@H]2CCS(=O)(=O)C2)o1 20898242 KOVVPHHZPSIEEX-INIZCTEOSA-N 432.473 3.520 0 40 IHAB C[C@@H](Sc1nnc(C2CC2)n1Cc1ccco1)C(=O)Nc1ccc2c(c1)OCCO2 21685225 JNKQZJMFFORPDE-CYBMUJFWSA-N 426.498 3.687 0 40 IHAB Cc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1N1CCCCS1(=O)=O 21756458 QPCMMCYMDHCODD-UHFFFAOYSA-N 447.988 3.541 0 40 IHAB COc1cccc(CCCNC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c1 22361841 BMNSYOHGPJTUPK-UHFFFAOYSA-N 445.368 3.517 0 40 IHAB O=C(CN1CCN(Cc2ccc(Br)s2)CC1)Nc1cccc2ncccc12 22780744 ADVPGUXYGHBYGD-UHFFFAOYSA-N 445.386 3.815 0 40 IHAB COc1cc(CN(C)C(=O)c2cc(N3CCOCC3)ccn2)ccc1OCc1ccccc1 23908285 SVRKSGDWCCSKQP-UHFFFAOYSA-N 447.535 3.778 0 40 IHAB CS(=O)(=O)Nc1cccc(CNC(=O)c2cccc(OCc3ccc(F)cc3)c2)c1 25238970 OOSYNHOPFVVDAR-UHFFFAOYSA-N 428.485 3.706 0 40 IHAB O=C(NCc1ccc(N2CCCC2=O)cc1)[C@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21 32781141 NMWXMXUOWWLVQB-GOTSBHOMSA-N 445.563 3.825 0 40 IHAB CCOc1cc([C@@H]2C(C(=O)Nc3cc(C)ccc3OC)=C(C)Nc3ncnn32)ccc1O 35507637 ZKTKDQQEFAHHJU-OAQYLSRUSA-N 435.484 3.627 0 40 IHAB CCCCCN(Cc1nnc(-c2ccccc2)o1)S(=O)(=O)c1cnn(C(F)F)c1 36614897 KTUPGNIMPUQFOC-UHFFFAOYSA-N 425.461 3.709 0 40 IHAB Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)NCc1ccccc1-n1ccnc1 38752203 MTFLBFVVJMFBOY-UHFFFAOYSA-N 446.532 3.912 0 40 IHAB COC(=O)c1c(CN2CCN(Cc3cc(OC)ccc3OC)CC2)nc2ccccc2c1C 39990595 BMHDWVMACPBHSO-UHFFFAOYSA-N 449.551 3.665 0 40 IHAB COc1ccccc1[C@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(C(C)C)c2)C1)c1nccn1C 48234402 AIEIXTDSTJWVLT-DVECYGJZSA-N 446.551 3.811 0 40 IHAB O=c1cc(CSc2nc3ccccc3s2)nc(N2CCN(Cc3ccccc3)CC2)[nH]1 54435395 FYKAKABJLFRECR-UHFFFAOYSA-N 449.605 3.994 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1N1CCN(C(=O)c2cncc(Br)c2)CC1 56935661 BIDOBKIFNQTMJD-UHFFFAOYSA-N 440.345 3.609 0 40 IHAB CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@H](C)N1CCN(c2ccccc2)CC1 57058674 QMGYZYXLBLETHO-INIZCTEOSA-N 438.503 3.633 0 40 IHAB C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@@H]1C[C@H]3O 58475559 GHCZAUBVMUEKKP-CUTQRFQSSA-N 449.632 3.594 0 40 IHAB endogenous,in-man O=C(Nc1ccccc1Cl)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 64985266 GLTWHFKTFTXQKK-HXUWFJFHSA-N 428.897 3.935 0 40 IHAB CCc1ccccc1NC(=O)Cn1cc(-c2ccccc2)c2ncn(CCOC)c(=O)c21 65113586 FKSRLFZTRBSSKE-UHFFFAOYSA-N 430.508 3.713 0 40 IHAB Cc1ccccc1-n1c(=O)c2sccc2n(Cc2ccc(N3CCCC3=O)cc2)c1=O 67258054 NNEAXNCWFATQHB-UHFFFAOYSA-N 431.517 3.697 0 40 IHAB Cc1cc2nc(SCC(=O)NCc3ccccc3F)n(-c3ccc(F)cc3)c(=O)c2[nH]1 67319807 LVNIFPHMCYNGGF-UHFFFAOYSA-N 440.475 3.709 0 40 IHAB COc1ccccc1OCCN1C(=O)[C@](O)(CC(=O)c2ccc(C)s2)c2ccccc21 68713449 NNZOLOOPVAFVPH-DEOSSOPVSA-N 437.517 3.951 0 40 IHAB Cc1cc(-c2cc(=O)n(CC(=O)N[C@H]3CCCC[C@H]3C)nc2-c2ccc(C)s2)on1 72337634 GRMIRHOCFACTRF-DYVFJYSZSA-N 426.542 3.939 0 40 IHAB Cc1csc(Nc2cccc([C@H]3CCCN3C(=O)CCn3c(C)cc(C)nc3=O)n2)n1 72375467 QYSZMRGOHKPUHB-GOSISDBHSA-N 438.557 3.517 0 40 IHAB CCSc1nnc(NC(=O)CN2CCC(c3nnc(-c4ccco4)s3)CC2)s1 77198191 FXWAHWPANQCVJL-UHFFFAOYSA-N 436.588 3.580 0 40 IHAB O=C1CCc2cc(S(=O)(=O)N(CCc3cccs3)Cc3ccoc3)cc3c2N1CC3 90748781 KBPPGEMACFSEPE-UHFFFAOYSA-N 442.562 3.610 0 40 IHAB C[C@H](NC(=O)C1CCN(C(=O)CCc2ccccc2)CC1)[C@@H](O)c1ccc(Cl)cc1 95972135 BOPIVHZRDNIXGN-GAJHUEQPSA-N 428.960 3.750 0 40 IHAB COc1ccc(/C=C2/C[C@H](C)Cc3c2nc2ccccc2c3C(=O)N2CCNC(=O)C2)cc1 98003220 TZHVGXBYOKUJRA-STZPCZCHSA-N 441.531 3.938 0 40 IHAB CCn1cc(S(=O)(=O)N2[C@@H]3CC[C@H](C3)[C@@H]2COc2cccc(C(F)(F)F)c2)cn1 100112826 SHEPTWAQGDNRTO-SIIHOXLZSA-N 429.464 3.542 0 40 IHAB COc1ccccc1CC(=O)NC[C@H]1CC[C@H](c2ccnc3nc(C(F)(F)F)nn32)CC1 100159000 RBQAUMGMVJPHQF-GASCZTMLSA-N 447.461 3.784 0 40 IHAB COC(=O)c1cc(Cc2ccccc2)sc1NC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1CC2 102341169 AZZQOIYZQRYBDE-LNMJFAINSA-N 425.506 3.977 0 40 IHAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 108905387 JZDXBOLFKZTUGS-BWVXHCRCSA-N 430.548 3.900 0 40 IHAB Cc1ccccc1N(CCCC(=O)Nc1ccccc1C(=O)NCC(C)C)S(C)(=O)=O 222554966 XJNUREQQKCMSSR-UHFFFAOYSA-N 445.585 3.566 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N(C)c3ccccc3)cc2)cc1 222699201 MODBQFTUHFPKLQ-UHFFFAOYSA-N 426.494 3.538 0 40 IHAB COC(=O)c1ccc(C)c(S(=O)(=O)N(C)Cc2nc(-c3ccc(C(C)C)cc3)no2)c1 223616650 QABIDNZCTUNSPG-UHFFFAOYSA-N 443.525 3.776 0 40 IHAB CCOc1ccc(CNC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)cc1 223966873 ACVOJKRAWRYNCE-UHFFFAOYSA-N 428.485 3.955 0 40 IHAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)Nc3ccccc3OC(C)C)s2)c1 224031264 XORVSXQLDPYUIZ-UHFFFAOYSA-N 432.527 3.687 0 40 IHAB CC(C)CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCc1ccc2c(c1)OCCO2 224512569 MOUSVGIPWWJXBD-FQEVSTJZSA-N 438.568 3.622 0 40 IHAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1C 224910161 BUPWNMNUWIINOP-QFIPXVFZSA-N 426.557 3.962 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H]2CC3(CCCCC3)Oc3ccccc32)cc1 225293613 SXRROQFURLPUPO-OAQYLSRUSA-N 442.581 3.958 0 40 IHAB COC(=O)c1cc(NC(=S)NCc2nc(-c3cccc(OC)c3)no2)ccc1Cl 225822600 JDRWUFHSUMKSSZ-UHFFFAOYSA-N 432.889 3.672 0 40 IHAB Cc1cc(NC(=O)[C@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)ccc1Br 225828642 AWHGGFCDQGVXTI-ZDUSSCGKSA-N 441.347 3.559 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(C)ccc3C)C2)cc1 225922958 XBKNLXPAWWAPIQ-LJQANCHMSA-N 444.553 3.520 0 40 IHAB C[C@@]1(C(=O)Nc2ccc(OC(F)(F)F)cc2)CCCN(Cc2ccccc2)S1(=O)=O 225952540 SZNCGWJHFXCNBO-IBGZPJMESA-N 442.459 3.908 0 40 IHAB C[C@H](O)c1onc(-c2cccnc2)c1C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 253407214 VTCQLHIFPJANNO-AWEZNQCLSA-N 446.429 3.771 0 40 IHAB biogenic,in-vitro O=C(c1ccccc1CN1CCOCC1)N1CCC[C@H](Cc2cccc3[nH]ncc23)CC1 257201897 AJOBKVYINUIUFZ-FQEVSTJZSA-N 432.568 3.880 0 40 IHAB O=C(Cn1ncc2ccccc2c1=O)N1CCCC[C@@H]1c1ncc(Cc2ccccc2)o1 257337100 YRISTZOMAORRRE-JOCHJYFZSA-N 428.492 3.729 0 40 IHAB C[C@H]1CCCN(c2cc(N3CCCCCC3)nc(NC(=S)NC[C@H]3CCCO3)n2)C1 260712857 KNFDWWOKITVKBF-ZWKOTPCHSA-N 432.638 3.559 0 40 IHAB COc1ccccc1N(CCCC(=O)N[C@H](C)c1ccc2c(c1)CCCC2)S(C)(=O)=O 260942972 SJZBDBZCYPXXSH-GOSISDBHSA-N 444.597 3.998 0 40 IHAB O=C(COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)Nc1cccc(F)c1 408535808 WSJFAAFCNYENIP-UHFFFAOYSA-N 440.496 3.985 0 40 IHAB Cc1cccc(C)c1NC(=O)COC(=O)c1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 408668159 UYZBJDZIYZJVKZ-PMACEKPBSA-N 432.476 3.555 0 40 IHAB COc1cc(/C=C2/NC(=O)N(C)C2=O)cc(Br)c1OCc1cccc(C)c1 409188842 BACIJZJULAOXHJ-CXUHLZMHSA-N 431.286 3.868 0 40 IHAB O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C1=O)NC[C@@H]1CCCO1 409209642 HKQXRFXAPQALMJ-PMFHANACSA-N 446.912 3.932 0 40 IHAB CC(=O)N1CCC[C@]1(Cc1ccccc1-c1ccccc1)C(=O)NCCn1ccnc1C 2037834520 NBLFUJSCHLWXHK-SANMLTNESA-N 430.552 3.599 0 40 IHAB CN1CCCCN(C(=O)c2ccc3nc[nH]c3c2)CCOc2ccc(Cl)cc2C1=O 2037888052 OLUMJGFQPFCWAW-UHFFFAOYSA-N 426.904 3.603 0 40 IHAB COc1ccc([C@@H]2SCC(=O)N2CCN2C(=O)CS[C@H]2c2ccc(OC)cc2)cc1 870033 MEIHFWBAEBWTRG-VXKWHMMOSA-N 444.578 3.552 0 40 IHAB COc1ccc2cc(CN(Cc3ccco3)S(=O)(=O)c3ccc(F)cc3)c(=O)[nH]c2c1 891904 SEYFCNWTWNPOCN-UHFFFAOYSA-N 442.468 3.660 0 40 IHAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC(c3ccccc3)c3ccccc3)C2=O)cc1 3461617 BSVQHDHYWDBURZ-AREMUKBSSA-N 427.504 3.668 0 40 IHAB CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CCC[C@H](C)C3)cc2c1 6196925 IIIOSNOZMSVTDP-KSFYIVLOSA-N 436.560 3.850 0 40 IHAB Cc1nn(C)c(C)c1NC(=O)[C@@H](C)Sc1nnc(N2CCCCC2)n1-c1ccccc1 8710999 XFQOFQYLSMNBPF-QGZVFWFLSA-N 439.589 3.727 0 40 IHAB COc1ccccc1CNC(=O)Cc1csc(SCC(=O)Nc2ccc(F)cc2)n1 8851881 DEPMQVUGELTAFD-UHFFFAOYSA-N 445.541 3.881 0 40 IHAB Cc1ccc(S(=O)(=O)Oc2nc(C)cc(C)c2S(=O)(=O)c2ccc(C)cc2)cc1 8855444 NAEOYPWHGVQLAS-UHFFFAOYSA-N 431.535 3.916 0 40 IHAB CN(C(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 8855755 UPJTYQCJEBXYQJ-LJQANCHMSA-N 443.956 3.511 0 40 IHAB CCCc1nnc2n1N[C@@H](c1ccc(OC)cc1)[C@@H](C(=O)Nc1cccc(OC)c1)S2 9239113 GYVDBKCTCGOIHX-PMACEKPBSA-N 439.541 3.646 0 40 IHAB CCn1c(CC(=O)Nc2ccc(C)c(C)c2)nnc1S[C@@H](C)C(=O)Nc1nccs1 9263710 KPCMWIXTVIRMKK-AWEZNQCLSA-N 444.586 3.672 0 40 IHAB C[C@H](Sc1nnc(COc2ccc(Cl)cc2)n1C)C(=O)Nc1ccc2c(c1)OCO2 9303794 FGBVSMHDGOWOSZ-LBPRGKRZSA-N 446.916 3.896 0 40 IHAB CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)NC34CC5CC(CC(C5)C3)C4)C2=O)cc1 9373022 SUNNQAXGYVFFSP-HYMKDAHASA-N 437.584 3.836 0 40 IHAB C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)c2cccc(N3CCCC3=O)c2)C1=O 9602533 DCGGRBITMZNJAY-SANMLTNESA-N 441.487 3.617 0 40 IHAB CC(C)Cn1c(SCC(=O)NC(=O)NCc2ccccc2)nnc1-c1ccccc1F 9631670 WFCPLJOXQPURBV-UHFFFAOYSA-N 441.532 3.858 0 40 IHAB O=C1N[C@H](c2cccc(Br)c2)[C@@H](C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 9704296 QFHWXDRJPSSTMX-JJRVBVJISA-N 443.219 3.553 0 40 IHAB COc1ccccc1CNc1nc(NCc2ccccc2OC)n(C(=O)c2ccco2)n1 9847068 RQBDEOFHIFAGQU-UHFFFAOYSA-N 433.468 3.801 0 40 IHAB COc1ccccc1CNc1nc(NCc2ccccc2OC)n(C(=O)c2cccnc2)n1 9847076 QNXHMXFCVGCECI-UHFFFAOYSA-N 444.495 3.603 0 40 IHAB O=C(Cn1cc(S(=O)(=O)c2ccccc2)c(=O)c2cc(F)ccc21)Nc1ccccc1 9856773 REPBSARQBSTHIR-UHFFFAOYSA-N 436.464 3.612 0 40 IHAB COc1ccc(N2C[C@@H](C(=O)N[C@@H](C)c3cccc(C(F)(F)F)c3)CC2=O)c(OC)c1 9885476 DSDPXVDQLAXLPP-ZFWWWQNUSA-N 436.430 3.953 0 40 IHAB COC(=O)c1ccc(N2C(=O)C[C@@H](N3CCC(CCc4cccc(F)c4)CC3)C2=O)cc1 10078996 YJGXTQILADQMGV-JOCHJYFZSA-N 438.499 3.589 0 40 IHAB CCc1cccc(CC)c1NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2OC)CC1 10323870 AJMUVYRFOCWAOR-UHFFFAOYSA-N 448.560 3.999 0 40 IHAB CCOc1ccc(CNC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1 10448540 AJUVSAZISFJEGW-UHFFFAOYSA-N 438.549 3.905 0 40 IHAB COCCCn1c(SCC(=O)N[C@H]2CCCC[C@H]2C)nc2sc3c(c2c1=O)CCC3 12498507 KGGGEIASOYSFQO-ZBFHGGJFSA-N 449.642 3.770 0 40 IHAB COc1ccc(N(C(=O)c2csnn2)[C@@H](C(=O)NC2CCCC2)c2ccccc2)cc1 12637767 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C[C@@H](NC(=O)CCNC(=O)c1ccc(Br)cc1)c1ccc(-n2ccnc2)cc1 18047784 LGHGUBQBEKSQHP-OAHLLOKOSA-N 441.329 3.632 0 40 IHAB CCOC(=O)C1=C(CSc2ncnc3sc(CC)cc23)NC(=O)N[C@H]1c1ccco1 18349143 DNAPAXHNKRMVGP-INIZCTEOSA-N 444.538 3.810 0 40 IHAB Cc1nc(C[C@H](NCc2ccc(N3CCCC3=O)cc2)c2ccc(Cl)cc2)cc(=O)[nH]1 19285339 ZYZZEMOZXWZURB-QFIPXVFZSA-N 436.943 3.932 0 40 IHAB Cn1ncc(Cl)c1C(=O)N1CCC(c2nc(NC3CC3)ncc2-c2ccncc2)CC1 19288552 AZLSABHODWXVRO-UHFFFAOYSA-N 437.935 3.520 0 40 IHAB COc1ccc([C@H](c2nnnn2CCc2ccccc2)N2CCN(C3CCCC3)CC2)cc1 19553483 GBEICOCUEFDHJG-RUZDIDTESA-N 446.599 3.574 0 40 IHAB CNc1cc([C@H]2CCCN(C(=O)c3cccc(OC)c3OC)C2)nc(-c2cccnc2)n1 19592186 ZCWCUXUSTRKARI-KRWDZBQOSA-N 433.512 3.617 0 40 IHAB COC(=O)[C@H](N[C@@H]1C2=C(CCCC2)C(=O)N1Cc1ccc(F)cc1)c1cccc(OC)c1 19798070 YAFVFQOVUCDTMT-PKTZIBPZSA-N 438.499 3.877 0 40 IHAB COc1ccc([C@H](CC(=O)NCc2ccccc2)N(C)S(=O)(=O)c2ccccc2)cc1 19935813 QTIKKOPRSOYNRL-QHCPKHFHSA-N 438.549 3.764 0 40 IHAB Cc1ccc([C@H](C)NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)c(C)c1 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COc1ccc(OC)c(C(=O)COC(=O)c2ccc(OCc3c(C)noc3C)cc2)c1 23297038 PKOBOQLCOIPESU-UHFFFAOYSA-N 425.437 3.927 0 40 IHAB Cc1nc(COc2ccc(C(=O)N3CCN(Cc4ccc5c(c4)CCO5)CC3)cc2)cs1 23989947 VBTZXRFXGXTRPB-UHFFFAOYSA-N 449.576 3.923 0 40 IHAB COc1ccc(-c2cc3ncnc(NC[C@@H]([C@H]4CCOC4)N4CCOCC4)c3s2)cc1 24204493 TZBNMFVVWGZOKM-PXNSSMCTSA-N 440.569 3.516 0 40 IHAB Cc1ccc(NC(=O)[C@H](NCCCN2C(=O)NC3(CCCC3)C2=O)c2ccccc2)cc1 25672252 RBYMEWREEWPKJW-OAQYLSRUSA-N 434.540 3.519 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCc2ccc(C(F)(F)F)cc2)s1 26569930 HOCMJGUOACBKKV-OAHLLOKOSA-N 432.489 3.545 0 40 IHAB O=C(CN1C(=O)NC2(CCC(c3ccccc3)CC2)C1=O)NCCSc1ccccc1 26779282 ZXYPVKBIEISUGM-UHFFFAOYSA-N 437.565 3.543 0 40 IHAB O=C(CSc1nnnn1Cc1ccccc1)Nc1nc(-c2ccc(F)c(F)c2)cs1 30967616 FZCSGAMOMFXJSG-UHFFFAOYSA-N 444.492 3.854 0 40 IHAB O=C(c1ccc(=O)n(CCOc2ccccc2)n1)N1CCC[C@@H]1c1nc2ccccc2s1 31391349 GMUOAYGKDNJGQJ-HXUWFJFHSA-N 446.532 3.909 0 40 IHAB C[C@@H]1CCCC[C@H]1N1C(=O)C(=O)N(CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1=O 32721625 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O=C(Cn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2sccc21)Nc1ccccc1F 57491845 DEINUNUVOBDKNI-UHFFFAOYSA-N 429.860 3.645 0 40 IHAB Fc1ccccc1CN1CCN(Cc2nnc(-c3cccc(Br)c3)o2)CC1 58434483 POFAKQFULIAVQV-UHFFFAOYSA-N 431.309 3.956 0 40 IHAB O=C(NCc1ccccc1)[C@H]1CN(S(=O)(=O)c2ccccc2)c2cc(Cl)ccc2O1 64985651 AWYRLMNQGWKXRB-OAQYLSRUSA-N 442.924 3.613 0 40 IHAB COCCCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3ccccc3OC)c2c1=O 65113527 GSQJZOLADJRBHJ-UHFFFAOYSA-N 446.507 3.549 0 40 IHAB COc1cc(NC(=O)Cn2c(=O)cc(-c3nc(C(C)C)no3)c3ccccc32)cc(OC)c1 67317728 PNSKCCZEBXLDSA-UHFFFAOYSA-N 448.479 3.831 0 40 IHAB O=C(O)[C@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1ccc(Cl)cc1Cl 71980569 BZIUWIUSOQMVBS-LJQANCHMSA-N 449.334 3.911 0 40 IHAB CNC(=O)c1cc(NC(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)ccc1F 72289445 FZCXPYRORYDQMW-OAQYLSRUSA-N 426.536 3.780 0 40 IHAB CCn1c(CN2CCC[C@H]([C@H](NC(=O)[C@@H]3CCCO3)c3ccccn3)C2)nc2ccccc21 72330584 VNUSRLMMDWUWMA-QXWFJRNPSA-N 447.583 3.700 0 40 IHAB COc1cccc2cc(C(=O)NCc3ccc([C@H](O)c4cccs4)s3)c(=O)oc12 90613646 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COC(=O)c1ccc(Cl)c(NC(=S)NCc2ccccc2CN2CCCC2=O)c1 225652381 YAOYCNVBKJDWNV-UHFFFAOYSA-N 431.945 3.736 0 40 IHAB COc1ccc(NC(=O)[C@]2(C)CCCN(c3ccc(Cl)cc3)S2(=O)=O)cc1OC 225950618 TXBOSDPPMWOXBF-FQEVSTJZSA-N 438.933 3.685 0 40 IHAB S=C(NCc1cccc(CNC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)c1)N[C@@H]1C[C@H]2CC[C@H]1C2 250122435 SWUWBRFMBUQOLC-VYKRUAQDSA-N 442.698 3.992 0 40 IHAB Cc1cccc(CC(=O)N2CCC[C@H](c3nc(C)c(CC(=O)NC4CCCC4)c(C)n3)C2)c1 257249294 JHOHBDIVNCDVIF-QFIPXVFZSA-N 448.611 3.952 0 40 IHAB COc1ccc(OC)c(C(=O)N2CCNC(=O)[C@H]2Cc2ccc(-c3cccs3)cc2)c1 257296435 RCVUYVDOAKJARO-HXUWFJFHSA-N 436.533 3.616 0 40 IHAB CC[C@H](Oc1ccccc1F)C(=O)N1CCC(c2cncc(Nc3cnccn3)n2)CC1 257332119 XVVQSTVFGYLRFL-IBGZPJMESA-N 436.491 3.713 0 40 IHAB CC(=O)O[C@H]1C[C@H](C(C)=O)[C@@]2(C)CC[C@@]3(O)[C@H](CC[C@H]4C[C@H](OC(C)=O)CC[C@]43C)[C@H]12 257348153 BTJJGPCIDWESHX-KSGVPESLSA-N 434.573 3.823 0 40 IHAB CC(C)n1cnc([C@@H]2CN(C(=O)c3cccs3)C[C@]23CCN(Cc2cccnc2)C3=O)c1 306127646 GEASPEKFKMEITK-YADARESESA-N 449.580 3.579 0 40 IHAB CN1CCN(Cc2ccc3c(c2)OCO3)C[C@@H]1c1cn2c(-c3ccncc3)cccc2n1 306139057 SOFDQIRRSOADJE-JOCHJYFZSA-N 427.508 3.614 0 40 IHAB C[C@@H](c1ccccc1)N1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccccc3)cc2C1=O 408655481 CZUATZSQDFSRSG-INIZCTEOSA-N 428.444 3.839 0 40 IHAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCCOC(C)C)c(C)c2)cc1C 408675133 SPBJFXSHQAGDQB-UHFFFAOYSA-N 448.585 3.723 0 40 IHAB O=c1/c(=C/c2cn(Cc3ccccc3F)c3ccccc23)sc2nc3cccnc3n12 408842218 JALHBRZQYXUQDI-MTJSOVHGSA-N 426.476 3.994 0 40 IHAB CC(C)n1cnnc1C1CCN(C(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)CC1 600165536 BCVAKCDGBRMVJD-UHFFFAOYSA-N 434.422 3.948 0 40 IHAB CCN1CCOc2ccccc2CCCCC2(CCN(C(=O)C3CCOCC3)CC2)C1=O 643555060 SKLTXQFUOYPLFI-UHFFFAOYSA-N 442.600 3.676 0 40 IHAB Cc1ccc2cccc(S(=O)(=O)N[C@@H]3CCCN(c4ccccc4Cl)C3=O)c2n1 1621832899 BOQJFCKCTMVWOO-QGZVFWFLSA-N 429.929 3.671 0 40 IHAB COc1ccc(CCNC(=O)N2CC[C@@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@H]32)cc1 1889211601 RFLWBJPNPDWPHZ-VQIMIIECSA-N 434.462 3.572 0 40 IHAB CN(CCC(=O)N1CCO[C@@H](c2cccc(Nc3nccs3)n2)C1)c1cccc(F)c1 2037834562 QEPUMDLDQZHJAH-LJQANCHMSA-N 441.532 3.847 0 40 IHAB O=C1CO[C@]2(CCCN(Cc3cnc(-c4ccccc4)nc3)C2)CN1c1cccc(F)c1 2037989149 XIEFYKLGXNLRJT-VWLOTQADSA-N 432.499 3.681 0 40 IHAB COc1cc([C@H]2OC[C@@H]3[C@@H](c4cc(OC)c5c(c4)OCO5)OC[C@@H]23)cc(OC)c1OC 1591041 DHWUVPPRBIJJKS-IALDWUNLSA-N 430.453 3.525 0 40 IHAB endogenous,in-man Cn1c2ccccc2c2cc(/C=C(\NC(=O)c3ccccc3)C(=O)NCCC(=O)O)ccc21 2100044 JSXDTHWYXDPRBC-PGMHBOJBSA-N 441.487 3.693 0 40 IHAB biogenic CC(=O)OC[C@]1(C)CCC[C@@]23CO[C@@H]4C[C@H]5[C@@H](C)C(=O)[C@]6([C@@H]42)[C@@H](C[C@@H]31)OC(C)(C)O[C@H]56 4268230 NVXQUVWEFNMDFY-RNZXPDEOSA-N 432.557 3.506 0 40 IHAB C[C@H](Sc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C(=O)Nc1ccc2c(c1)OCO2 8640270 GJCYYGWCWRPPQV-JTQLQIEISA-N 429.523 3.711 0 40 IHAB COc1cc(OC)cc(C(=O)NC[C@H]2CN(c3ccc(Cl)c(Cl)c3)C(=O)O2)c1 9101311 HXHNYOXQKSEZSF-HNNXBMFYSA-N 425.268 3.766 0 40 IHAB COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccccc3F)ccc2OC)cc1 9130161 VKRBFSAOAOBWDN-UHFFFAOYSA-N 430.457 3.896 0 40 IHAB Cc1cccc(C)c1NC(=O)CNC(=O)COc1ccccc1C(=O)Nc1ccccc1 9172532 RKNOJYPTBHGONP-UHFFFAOYSA-N 431.492 3.689 0 40 IHAB CCCCn1c(CN(Cc2ccc(F)cc2)C2CC2)nc2cc(S(N)(=O)=O)ccc21 9201268 MQWKIRFXXRWHLZ-UHFFFAOYSA-N 430.549 3.788 0 40 IHAB C[C@@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)N1CCN(c2ccccc2)CC1 9207175 AYOODKLVERWEAF-GOSISDBHSA-N 433.581 3.974 0 40 IHAB C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(-c2cc(Br)ccc2O)n1C 9226041 MNOMTZNJRFIDJS-RISCZKNCSA-N 439.379 3.737 0 40 IHAB Cc1oc2cc3oc(=O)c(CCC(=O)Nc4nnn[nH]4)c(C)c3cc2c1-c1ccccc1 9340423 DGRVKNMXOICHJX-UHFFFAOYSA-N 429.436 3.907 0 40 IHAB COc1ccccc1N1C(=O)N[C@@](NC(=O)c2ccc(C(C)(C)C)cc2)(C(F)(F)F)C1=O 9419483 CAVLMCDBAQRPJT-OAQYLSRUSA-N 449.429 3.738 0 40 IHAB CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc(I)cn2)c1 9477392 QDLDXHWBQJKYGZ-UHFFFAOYSA-N 441.294 3.600 0 40 IHAB O=C(CSc1nnc(-c2ccccc2F)n1C1CC1)c1c[nH]c(C(=O)N2CCCC2)c1 9592649 QUUHPRNKJXHCDO-UHFFFAOYSA-N 439.516 3.958 0 40 IHAB CS(=O)(=O)c1ccc(-c2nnc(NC(=O)C(c3ccccc3)c3ccccc3)o2)cc1 9707671 NPNNMWKWAAANRT-UHFFFAOYSA-N 433.489 3.911 0 40 IHAB O=C(Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O)N[C@@H]1CCOc2ccccc21 9723147 NQRISBIZMDQTDQ-GOSISDBHSA-N 435.480 3.904 0 40 IHAB COc1ccc([C@@H]2CCCN2C(=O)c2nn(-c3ccccc3F)c(C)cc2=O)c(OC)c1 11337120 ICRWPTBFJTYFAU-IBGZPJMESA-N 437.471 3.675 0 40 IHAB CC(C)N1CCC[C@@H](CN(C)C(=O)c2cc(-c3cccnc3)c(N3CCOCC3)s2)C1 12220205 FICPGPZADOTDKW-IBGZPJMESA-N 442.629 3.839 0 40 IHAB Cc1ccc(Oc2cc(N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)nc(C)n2)cc1 12225129 SVYKRAUYUPZCDZ-UHFFFAOYSA-N 438.553 3.705 0 40 IHAB CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cc(C)ccc4OC)ccn3n2)cc1 12414487 NOEQBBUXYDHCOG-UHFFFAOYSA-N 432.480 3.517 0 40 IHAB CC(C)(C)C(=O)COC(=O)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O 12513886 LSSQYGCQQAQTSP-UHFFFAOYSA-N 426.922 3.593 0 40 IHAB CC(C)c1ccc(-c2nnc(NC(=O)CCN3C(=O)NC4(CCCC4)C3=O)s2)cc1 12686692 JLJWKDGUSWMKIM-UHFFFAOYSA-N 427.530 3.522 0 40 IHAB CCCOc1ccc2ccccc2c1CN(C)C(=O)c1cccc(S(=O)(=O)NC)c1 12734423 HPBMRNSAEIGWIX-UHFFFAOYSA-N 426.538 3.809 0 40 IHAB CNS(=O)(=O)c1ccc(C)c(C(=O)NC[C@H]2CC3c4ccccc4C2c2ccccc23)c1 12737118 NNOKFWGSUSZNTN-XSHKEIFESA-N 446.572 3.930 0 40 IHAB CCOc1ccc(CN(C)C(=O)CSc2nc(O)c3cnn(-c4ccccc4)c3n2)cc1 12781976 RALVFQNJWZYHNA-UHFFFAOYSA-N 449.536 3.671 0 40 IHAB COc1ccc(N(CCC(N)=O)C(=O)CSc2ncc(C(F)(F)F)cc2Cl)cc1 12807141 NPSMUUFZOAJKBC-UHFFFAOYSA-N 447.866 3.763 0 40 IHAB C[C@H](CCc1ccccc1)NC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 12854698 OHFYIADHOBVCSB-CQSZACIVSA-N 429.369 3.897 0 40 IHAB O=C(C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1)N1CCCCC1 12872810 IXYSYNOAYOSWSS-UHFFFAOYSA-N 438.899 3.772 0 40 IHAB CCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2csnn2)C2CC2)cc1 12873301 NFBCAVSKULUEGS-FQEVSTJZSA-N 428.558 3.732 0 40 IHAB C[C@@H](NC(=O)COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1 13006042 MAUUODQDDMVHIF-OAHLLOKOSA-N 435.446 3.737 0 40 IHAB Cc1ccc2nc(CN3C(=O)N[C@](C)(CCc4ccc(OC(F)F)cc4)C3=O)cn2c1 13059632 GOPORWXTSQOXRL-JOCHJYFZSA-N 428.439 3.687 0 40 IHAB CCCc1c(C)nc2ncnn2c1Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1 13364947 GHAFJEFLWZEHFX-UHFFFAOYSA-N 445.527 3.684 0 40 IHAB O=C(CNC(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1)Nc1ccc(F)c(F)c1 14095642 KNCZRVAOUQRWOJ-UHFFFAOYSA-N 447.445 3.640 0 40 IHAB CCOc1ccc([C@@H](CNC(=O)Nc2cccc(Cl)c2)N2CCOCC2)cc1OC 14242801 CYEOBEGRHOIFRM-LJQANCHMSA-N 433.936 3.942 0 40 IHAB CN(Cn1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)c1=S)[C@H]1CCS(=O)(=O)C1 14285538 BXVOXRGKFYHMPO-SFHVURJKSA-N 449.001 3.800 0 40 IHAB COc1ccc(CNC(=O)C[C@@H]2CCNC[C@@H]2Cc2cc(-c3ccccc3)on2)cc1OC 15673461 SKYCEZCBFHGNPQ-SFTDATJTSA-N 449.551 3.834 0 40 IHAB biogenic,in-vitro COC(=O)[C@@H]1[C@@H](c2cc(Cl)cc(Cl)c2OC)C([N+](=O)[O-])=C2CCCCN2[C@@]1(C)O 16121583 RXVZXHIEEBHUIS-VCBZYWHSSA-N 445.299 3.571 0 40 IHAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1Cl 16188165 RWZAFRJVUXDIMR-UHFFFAOYSA-N 437.732 3.915 0 40 IHAB Cc1ccc(-n2ncc3c(O)nc(-n4nc(C)cc4NC(=O)c4ccc(F)cc4)nc32)cc1 16847681 CTLCZQKGYYQIBZ-UHFFFAOYSA-N 443.442 3.715 0 40 IHAB CCOC(=O)c1c(C)oc2nc(COC(=O)CCC(=O)c3ccc(Cl)cc3)nc(N)c12 18266347 RMAHCQLRCIGCPK-UHFFFAOYSA-N 445.859 3.650 0 40 IHAB Cc1ccccc1CN1CCC[C@H](c2nc(N3CCN(C)CC3)ncc2-c2ccncc2)C1 19237179 UBEIEZIFIYGRSU-DEOSSOPVSA-N 442.611 3.978 0 40 IHAB Cc1ccccc1CN1CCC[C@H]1c1c(-c2ccnc(N3CCCC3)n2)cnn1CCO 19237196 VUPUDRYTKIDKJZ-QHCPKHFHSA-N 432.572 3.578 0 40 IHAB Cc1ccsc1CN1CCc2nc([C@H]3CCCN3C(=O)c3cccs3)[nH]c(=O)c2C1 19238695 GMLSITAEFFMDFF-QGZVFWFLSA-N 440.594 3.737 0 40 IHAB CC(C)NC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CCCN(C(=O)[C@H]2CCCCO2)C1 19448757 HRAYARIZGNEJOM-SQHAQQRYSA-N 449.595 3.994 0 40 IHAB CCNC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCCN(C(=O)c2ccccn2)C1 19528642 RNHAHMYHZRGSMU-AREMUKBSSA-N 428.536 3.745 0 40 IHAB CN1CCCc2cc(C(=O)N3CCC(c4ccc(-c5cnc(N)nc5)cn4)CC3)ccc21 19687794 COTKSHVUHYYWKY-UHFFFAOYSA-N 428.540 3.523 0 40 IHAB CNC(=O)C1(Cc2ccccc2-c2ccccc2C)CCN(C(=O)c2cnc(C)cn2)CC1 19700046 YIBOLFZJSGXUJJ-UHFFFAOYSA-N 442.563 3.972 0 40 IHAB CN(C)C(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CCN(C(=O)c2cnccn2)CC1 19700429 BGSGIQOMXGPMGU-UHFFFAOYSA-N 446.526 3.836 0 40 IHAB Cc1nc(C2CCN(C(=O)c3cc4cc(F)ccc4n3C)CC2)ncc1C(=O)N1CCCC1 19766544 SFQWISFLERLQHD-UHFFFAOYSA-N 449.530 3.672 0 40 IHAB COc1ccc(C)cc1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 20008033 WJNSYERQKGEHCZ-NRFANRHFSA-N 442.512 3.671 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)c2cnc3sc4c(n3c2=O)CCCC4)cc1 20767704 SWCJFUBDSAFSRI-UHFFFAOYSA-N 425.510 3.844 0 40 IHAB Cc1cc(C)n(-c2ccc(C(=O)N3CCN(Cc4nc(-c5cccs5)no4)CC3)cc2)n1 22227376 OUCRTZZDEKIAJT-UHFFFAOYSA-N 448.552 3.559 0 40 IHAB Cc1cc(C)c([C@H](C)NC(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2C)cc1C 22537223 CYKGLZCAMAPHSU-IBGZPJMESA-N 432.586 3.863 0 40 IHAB CCc1nc2sc([C@H](c3ccccc3Cl)N3CCC(C(=O)OC)CC3)c(O)n2n1 22853585 GVBFJLQNHSKMGR-INIZCTEOSA-N 434.949 3.687 0 40 IHAB Cc1ccc(OCc2nc(C(=O)NCc3ccc(CN4CCOCC4)cc3)cs2)cc1 23053531 RENXYYIPTVHZLW-UHFFFAOYSA-N 437.565 3.793 0 40 IHAB CCOC(=O)c1ccc(S(=O)(=O)Nc2ccccc2-c2nnc3n2CCCCC3)cc1 23370977 GCVHEIJXMXZNSV-UHFFFAOYSA-N 440.525 3.649 0 40 IHAB CC[C@@H](C)c1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@@H](C)n3cncn3)cc2)cc1 24576517 ZCIBRTNFITWCKX-HZPDHXFCSA-N 427.530 3.792 0 40 IHAB CC(C)(C)c1cc(NC(=O)CSc2ccccc2Cl)n([C@H]2CCS(=O)(=O)C2)n1 25160173 OFYCBCRZVHHKTG-ZDUSSCGKSA-N 442.006 3.924 0 40 IHAB C[C@H](C(=O)Nc1ccc(NC(=O)Cc2csc(-c3ccsc3)n2)cc1)n1cncn1 25296497 OABFDSHMVUEYFW-CYBMUJFWSA-N 438.538 3.844 0 40 IHAB O=C(NC1CCN(C(=O)CSCc2nc3ccccc3s2)CC1)c1ccccc1 26059484 RQVBNYQJGUVCIF-UHFFFAOYSA-N 425.579 3.951 0 40 IHAB Cc1c(C(=O)Nc2cccc(NS(C)(=O)=O)c2)cnn1-c1ccc(Br)cc1 29166893 YSBFSDAKWYFACD-UHFFFAOYSA-N 449.330 3.567 0 40 IHAB O=C(c1cccnc1Sc1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 29893973 KHWNWAGWFOOANM-UHFFFAOYSA-N 433.533 3.920 0 40 IHAB C[C@@H](Sc1nnnn1C[C@@H]1CCCO1)C(=O)N(Cc1ccccc1)Cc1ccccc1 30346742 MAXCGLYJCQQCMP-NQIIRXRSSA-N 437.569 3.562 0 40 IHAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(O)c(Br)c2)C1=O 32116398 AIMUVBSGLPMCIH-KEXZDQNZSA-N 434.695 3.796 0 40 IHAB Cc1cccc(NC(=O)C[C@@]23CSc4[nH]c(=O)sc4[C@@H]2c2ccccc2OC3=O)c1 32594661 RTYKHDNSCSRPPR-HTAPYJJXSA-N 438.530 3.917 0 40 IHAB CCn1c2ccccc2c2nnc(SCC(=O)N3c4ccccc4NC(=O)C[C@@H]3C)nc21 32671783 ODTFNMQMQLYGKC-AWEZNQCLSA-N 446.536 3.855 0 40 IHAB CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)Cc1nc(-c2ccccc2)oc1C 32891607 JAIITVBNSUUURK-UHFFFAOYSA-N 434.496 3.926 0 40 IHAB COc1cccc(NC(=O)COc2ccc(C(=O)Nc3ccnn3Cc3ccco3)cc2)c1 32988117 JPDZJGZOXJBJCG-UHFFFAOYSA-N 446.463 3.803 0 40 IHAB O=C(CN1CCN(C(=O)COc2ccccc2-c2ccccc2)CC1)Nc1ccc(F)cc1 35301332 HWWKAGAKCUHPKO-UHFFFAOYSA-N 447.510 3.654 0 40 IHAB C[C@H](OC(=O)c1ccc(N2C(=O)CCC2=O)cc1)C(=O)Nc1cc(Cl)ccc1Cl 36240204 IRWQMJUEJURZDX-NSHDSACASA-N 435.263 3.831 0 40 IHAB O=C(Cn1nc(C(F)F)c2c1CCC2)NCCCn1nc(C(F)(F)F)cc1C1CC1 36613824 DJVMLLJOWRJZNU-UHFFFAOYSA-N 431.409 3.609 0 40 IHAB O=C(/C=C/c1ccccc1)Nc1nc(CC(=O)NCCOc2ccc(F)cc2)cs1 38739491 PBMIGJUGWBMPAZ-IZZDOVSWSA-N 425.485 3.672 0 40 IHAB CCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cc(C)ccc1OC 39985511 IOROMVSJLFMEKW-UHFFFAOYSA-N 431.341 3.960 0 40 IHAB CSCC[C@@H](NC(=O)c1sc(-c2ccc(OC(F)(F)F)cc2)nc1C)C(=O)O 40283084 CDMFSRGZWGPOHV-GFCCVEGCSA-N 434.461 3.953 0 40 IHAB CCOc1cc(CNC(=O)CCn2nc(-c3ccc(Cl)cc3)ccc2=O)ccc1OC 41253803 LSBUOYCDJLGCON-UHFFFAOYSA-N 441.915 3.678 0 40 IHAB CN(CC(=O)NCCN1C(=O)S/C(=C/c2ccccc2)C1=O)[C@@H]1CCCc2ccccc21 49573725 RZOXPHAJAHPADT-BCIXFCFJSA-N 449.576 3.849 0 40 IHAB Cc1ccccc1NC(=O)Cn1c(=O)n(Cc2cccc(Cl)c2)c(=O)c2ccccc21 57472894 RJEWXFXISVIICW-UHFFFAOYSA-N 433.895 3.812 0 40 IHAB CC(C)c1cccc(NC(=O)CSc2ncnc3nc(N4CCOCC4)sc23)c1 57507104 BGBISOZMMFLTIS-UHFFFAOYSA-N 429.571 3.777 0 40 IHAB CCN(CC)c1ccc(NC(=O)N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)cn1 58005776 XAVJZPNTCXRMSM-UHFFFAOYSA-N 428.512 3.885 0 40 IHAB COc1cc(NC(=O)N[C@H](Cn2ccnc2)C(C)(C)C)ccc1NC(=O)c1cccnc1 58281067 WFNYHOTWPYANGP-HXUWFJFHSA-N 436.516 3.775 0 40 IHAB Cc1c(N[C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)c(=O)n(-c2ccccc2)n1C 69667426 JTGOIVZDIVTFLF-ZDUSSCGKSA-N 434.418 3.822 0 40 IHAB O=C(Cn1cnc2c(oc3ccccc32)c1=O)Nc1ccc(OCc2ccccc2)nc1 69948265 MDJVRORICJTXEV-UHFFFAOYSA-N 426.432 3.755 0 40 IHAB CCc1noc(-c2ccnc(-n3cnc(C(=O)NCc4ccc(OC(C)C)cc4)c3)c2)n1 71768548 HSGFVELFAHUZAN-UHFFFAOYSA-N 432.484 3.597 0 40 IHAB O=C(C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)N1CC[C@@H](N2CCCC2)C1 71874876 LNTLWKOGZRQNAX-MRXNPFEDSA-N 430.902 3.667 0 40 IHAB O=c1c(CN2CCC3(CC2)Nc2cc(Cl)ccc2C2=NCCN23)coc2ccccc12 72327172 NXDSKBABHPCNGH-UHFFFAOYSA-N 434.927 3.926 0 40 IHAB COc1cc(OC)c(OC)cc1CN1CCC(c2cc(O)nc(-c3ccncc3)n2)CC1 72392716 GHPFAOGEFKZIOT-UHFFFAOYSA-N 436.512 3.650 0 40 IHAB COc1cc2c(cc1CN1CCC([C@@H](NC(=O)C(C)(C)C)c3nccs3)CC1)OCO2 72394584 AHIJDOPTMGGJFQ-HXUWFJFHSA-N 445.585 3.996 0 40 IHAB Cc1cc(C(=O)Nc2nc3c(s2)CN(C(=O)/C=C/c2ccccc2Cl)CC3)no1 77196420 WHPRYKUXDDYBJY-VOTSOKGWSA-N 428.901 3.943 0 40 IHAB COC(=O)c1ccc(-c2ccc([C@@H]3c4c(c5ccccc5oc4=O)O[C@@H]3C(=O)OC)o2)cc1 79189703 UHFZHLOXLYOFEV-KNQAVFIVSA-N 446.411 3.906 0 40 IHAB biogenic C[C@@H](c1ccccc1)N1C[C@H](C(=O)Nc2ccc(I)cc2)CC1=O 96589744 XVORCDLWUKIMGR-DZGCQCFKSA-N 434.277 3.839 0 40 IHAB CCCC(=O)N1CCc2nc3cc([C@H]4CCCCN4Cc4cccs4)nn3c(O)c2C1 100233841 SPIAVWGZNULENC-HXUWFJFHSA-N 439.585 3.908 0 40 IHAB Cc1ccc(CN2C(=O)[C@H]3[C@@H](c4ccccc4)[C@H]4C=C[C@]3(O4)[C@H]2C(=O)NC2CCCC2)cc1 100435386 XCVNSRUWIFGCQF-UXKLQOBYSA-N 442.559 3.872 0 40 IHAB C[C@]1(C(=O)c2ccccc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN21 104269113 CBDNGZBGXXDVRS-IILZIBOQSA-N 435.483 3.838 0 40 IHAB Cc1ccc(N([C@H](C)C(=O)NCCSCc2ccccc2)S(C)(=O)=O)cc1Cl 220357275 YFIOEVHTJCNJDN-MRXNPFEDSA-N 441.018 3.853 0 40 IHAB CC[C@@H](C(=O)Nc1cccc(C(=O)OC)c1)N(c1cc(Cl)ccc1C)S(C)(=O)=O 220719815 RLFDRENRXONOQH-KRWDZBQOSA-N 438.933 3.618 0 40 IHAB COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H]3C(=O)N(c4ccccc4C)C(=O)[C@@H]32)cc1 222100596 NPQUKPDHVRHFME-LZLYRXPVSA-N 438.530 3.549 0 40 IHAB CC[C@H](NC(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O)c1ccc(OC)c(C)c1 223085215 TZFNWAWDTSJSMT-SFHVURJKSA-N 438.977 3.999 0 40 IHAB COc1ccc(NS(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)cc1Cl 223721860 JZUVMSKDMWQUOR-UHFFFAOYSA-N 438.918 3.562 0 40 IHAB COc1ccc(S(=O)(=O)N(C)Cc2cccc3ccccc23)cc1C(=O)N1CCCC1 223872253 UONHOQGMLNBLID-UHFFFAOYSA-N 438.549 3.905 0 40 IHAB Cc1ccccc1CN(C(=O)CCc1ccc2c(c1)OCCO2)[C@H](C)C(=O)NCC(C)C 224139384 LTJXJCCPCHBAFH-HXUWFJFHSA-N 438.568 3.888 0 40 IHAB Cc1cc(C(=O)N2CCN(c3ccccc3)CC2)ccc1N(C)S(=O)(=O)c1ccccc1 224190966 OKGIFSAGMHUUHI-UHFFFAOYSA-N 449.576 3.783 0 40 IHAB Cc1cccc(OCCNC(=O)CCCN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)c1 224807817 XLLDEELWICXQPL-UHFFFAOYSA-N 442.940 3.529 0 40 IHAB CCc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2OC)cc1 224868413 RTBNQLMSAZURBY-KRWDZBQOSA-N 430.570 3.923 0 40 IHAB COc1ccc(C)cc1N([C@@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1)S(C)(=O)=O 224888292 PGTFUBJVGPWADD-ZDUSSCGKSA-N 446.447 3.695 0 40 IHAB CC[C@@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2CC)c1ccc(OC)c(OC)c1 225697945 JXXSNHSVIKMXLL-OAHLLOKOSA-N 436.555 3.530 0 40 IHAB Cc1cc(C(=O)N2CCOC[C@@H](Cc3cccc4ccncc34)C2)nc(N2CCCCC2)n1 257246705 IVKVDXBWLCBNRI-FQEVSTJZSA-N 445.567 3.655 0 40 IHAB O=C1N(Cc2ccncc2)CCO[C@@]12CN(Cc1ccccc1Cl)C[C@H]2c1cccnc1 306137472 QXHLOHRQTQHRIS-WIOPSUGQSA-N 448.954 3.527 0 40 IHAB CCc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)CCCC4=O)c(C)c3)CC2=O)cc1 408657010 IDZMMVRBYRKIPY-GOSISDBHSA-N 434.492 3.559 0 40 IHAB Cc1ccccc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@H]3C[C@H](C)CC[C@H]3C2=O)cc1 408667803 SYXOGCVQTCEVHO-YSGRDPCXSA-N 434.492 3.716 0 40 IHAB CCn1c(SCC(=O)NCc2ccccc2)nnc1[C@@H](C)NC(=O)c1cccc(C)c1 409141001 GODRSVVWASLQHE-QGZVFWFLSA-N 437.569 3.506 0 40 IHAB Cc1ccc(NC(=O)Cc2nnc(SCC(=O)Nc3ccc(F)c(Cl)c3)n2C)cc1 409347469 PZKHLDAKWKVOKE-UHFFFAOYSA-N 447.923 3.828 0 40 IHAB O=C(Nc1ccccc1)Nc1cccc2c1CCN(C(=O)[C@]13[C@H]4C(=O)[C@H]5[C@H]6C[C@@H]([C@@H]51)[C@H]3[C@H]64)C2 503605123 RXIFRKXQRFMSTM-HGZXWYJRSA-N 439.515 3.542 0 40 IHAB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)NC5CCC6(CC5)NC(=O)NC6=O)(C4)C2)C3)cc1C 561373324 YEEJHNBFVFZGPY-SFDCMBGPSA-N 449.595 3.778 0 40 IHAB C[C@H]1CC(C)(C)N(C)c2cc3oc(=O)c(-c4cc(O)nc(N5CCOCC5)n4)cc3cc21 618256887 NHWNADVWVLHKJZ-AWEZNQCLSA-N 436.512 3.514 0 40 IHAB CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1NNc1cc(C)nc(-c2ccccc2)n1 2399460 RRKFOAKYUYBVIU-UHFFFAOYSA-N 444.499 3.660 0 40 IHAB CCOC(=O)c1sc2ncnc(OCC(=O)N[C@@H]3CCCc4ccccc43)c2c1C 2645453 MXQKEDGSSQRQOA-MRXNPFEDSA-N 425.510 3.749 0 40 IHAB Cc1nc2ccccc2nc1OCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 2647279 XZZTZQYYOASIFV-UHFFFAOYSA-N 446.429 3.811 0 40 IHAB Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3C)nc2N)cc1C 2693367 BMKJQLSNCVIYKE-UHFFFAOYSA-N 442.566 3.548 0 40 IHAB CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(C)cc3Cl)cc2)CC1 4121741 PXXYIFNREWGNIZ-UHFFFAOYSA-N 444.988 3.834 0 40 IHAB Cc1ccc(OCCSc2nc3ccccc3n2CC(=O)N2CCOCC2)c(C)c1 8586926 GIYYXGAJSNKQPG-UHFFFAOYSA-N 425.554 3.683 0 40 IHAB COCCCn1c(SCc2nnnn2-c2ccccc2)nnc1-c1ccc(Cl)cc1 8882067 BFPJFPUUVVSQDF-UHFFFAOYSA-N 441.948 3.903 0 40 IHAB CC(C)N1C(=O)[C@@](O)(CC(=O)c2ccc(I)cc2)c2ccccc21 8920166 DPFAQIJJRWCEOB-LJQANCHMSA-N 435.261 3.507 0 40 IHAB O=C(COc1ccc(Cl)cc1)NC[C@H](c1cccnc1)S(=O)(=O)c1cccs1 9005139 CEHHZKLUJYSVRM-QGZVFWFLSA-N 436.942 3.507 0 40 IHAB COc1ccc(C(=O)Nc2nnc(SCC(=O)Nc3ccccc3F)s2)cc1OC 9365878 AEFJPSAQHHZLAY-UHFFFAOYSA-N 448.501 3.678 0 40 IHAB COc1ccc(NC(=O)CSc2ccc3nnc(-c4ccc(F)cc4)n3n2)c(OC)c1 9414950 DBAFZLXZTLNPCG-UHFFFAOYSA-N 439.472 3.678 0 40 IHAB Cc1ccccc1Nc1nc(N)nc(CSc2nnc(NCc3ccco3)s2)n1 9593865 VXYMIOJABHLCBG-UHFFFAOYSA-N 426.531 3.855 0 40 IHAB CCNC(=O)NC(=O)[C@H](Sc1nnc(COc2ccccc2Cl)o1)c1ccccc1 9730415 IZPAODLTTZSYAC-QGZVFWFLSA-N 446.916 3.981 0 40 IHAB O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(COc2ccccc2)o1 9765510 SYORWDPIOHBGLV-UHFFFAOYSA-N 426.494 3.895 0 40 IHAB O=C(Cc1csc(NS(=O)(=O)c2ccc(Cl)cc2)n1)NCCCc1ccccc1 9818700 RGMRVMBAMMCTNS-UHFFFAOYSA-N 449.985 3.889 0 40 IHAB Cc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(C(C)C)cc4)C(=O)[C@@H]32)c(Cl)c1 9837308 PEVLPDUMASZYMB-WOJBJXKFSA-N 439.903 3.704 0 40 IHAB COc1cc(Br)c(CCNC(=O)c2c[nH]nc2-c2ccc(F)cc2)cc1OC 10227973 YSFOSLGNNSDIDI-UHFFFAOYSA-N 448.292 3.968 0 40 IHAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)CCC(=O)c1ccc2c(c1)OCCO2 11138481 FTTUONCNPSKOEW-CYBMUJFWSA-N 447.871 3.653 0 40 IHAB CCOC(=O)c1ccccc1O[C@H](CC)C(=O)NCC(=O)c1ccc(OC)c(Cl)c1 11615317 JZPZVHZOJWQTCR-GOSISDBHSA-N 433.888 3.682 0 40 IHAB CCCCN(C)C(=O)Cn1c([C@H]2CC(=O)N(c3cccc(OC)c3)C2)nc2ccccc21 12062103 GONURGJHHRKBLP-SFHVURJKSA-N 434.540 3.824 0 40 IHAB COC(=O)c1ccc2c(=O)n(CCCC(=O)N[C@H](C)c3ccccc3)c(=S)[nH]c2c1 12415910 FPVVXIVAVDDKIO-CQSZACIVSA-N 425.510 3.503 0 40 IHAB O=C1c2ccccc2N[C@@H](c2cc(Br)ccc2F)N1CCCN1CCOCC1 12608718 IYPZLKHYBCAAOW-HXUWFJFHSA-N 448.336 3.877 0 40 IHAB COc1cccc(NC(=O)CN(C)C(=O)CSc2nccn2-c2ccc(Cl)cc2)c1 12627537 FZSALZDSQYHGCP-UHFFFAOYSA-N 444.944 3.724 0 40 IHAB COc1cc(-c2cnc(NCCc3c(C)noc3C)nc2-c2cccs2)nc(OC)n1 12668320 YXUQXZAZOHSHJT-UHFFFAOYSA-N 438.513 3.939 0 40 IHAB CC[C@H]1c2ccsc2CCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 12941415 RSBQQRJVAAZPIB-FQEVSTJZSA-N 432.611 3.993 0 40 IHAB COc1ccccc1N1CCN([C@@H](c2ccccc2)c2nnnn2Cc2ccccc2)CC1 13504584 OPDVMDPZGBWAKR-VWLOTQADSA-N 440.551 3.642 0 40 IHAB O=C(Cc1ccccc1F)N1CCC[C@H](c2nc3sc4c(c3c(=O)[nH]2)CCCC4)C1 13566092 OZOGYLZYXIXTNQ-HNNXBMFYSA-N 425.529 3.951 0 40 IHAB O=C(Cc1csc(SCC(=O)c2ccc3c(c2)OCO3)n1)NCc1ccc(F)cc1 13654641 OWDCICCUUUFQHA-UHFFFAOYSA-N 444.509 3.845 0 40 IHAB COc1ccc(-n2ccnc2SCC(=O)N(C)Cc2cnn(Cc3ccccc3)c2)cc1 14092887 ZGIMPZWAEMUAAD-UHFFFAOYSA-N 447.564 3.876 0 40 IHAB C[C@@H](Sc1nnc(-c2cccs2)n1N)C(=O)Nc1nc(-c2ccccc2)cs1 14093481 DWWGFSMWOXUMCL-LLVKDONJSA-N 428.568 3.963 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(C(=O)NCC23CC4CC(CC(C4)C2)C3)ccc1OC 14688213 ZFWJVNDTBIUFPK-UHFFFAOYSA-N 434.602 3.672 0 40 IHAB COc1ccc(OC)c(N2CC(=O)N(c3ccccc3OC)[C@@H](c3ccccc3)C2=O)c1 15412813 VNAGYVVNBJVYDY-DEOSSOPVSA-N 432.476 3.834 0 40 IHAB O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1cc2c(cc1Br)OCCO2 15610200 LFJYBTJQYWHQSN-UHFFFAOYSA-N 448.248 3.981 0 40 IHAB CCCn1c(S[C@@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)n[nH]c1=O 16050754 CORMNGVPRNXXBY-VIFPVBQESA-N 425.486 3.502 0 40 IHAB O=C(c1cc(-c2ccccc2)nc2ccccc12)N1CCC(C(=O)N2CCOCC2)CC1 17909052 GBPHOZQEUXELAJ-UHFFFAOYSA-N 429.520 3.613 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@H](c3cc(C(=O)NCC4CCCCC4)on3)C2)cc1 19211376 QSCYEZYXALKFOR-IBGZPJMESA-N 445.585 3.861 0 40 IHAB CC(C)NC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)Cn2cccn2)C1 19449289 GRBCHCXBAAJPSJ-DEOSSOPVSA-N 436.581 3.598 0 40 IHAB Cc1n[nH]c(C)c1CCC(=O)N1CCO[C@@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 19578904 UHVLQUTZTWTPBC-QGZVFWFLSA-N 449.433 3.628 0 40 IHAB Cc1nn(C(C)C)cc1S(=O)(=O)N1[C@@H]2CC[C@@H](C2)[C@@H]1c1nc(-c2ccccc2)no1 19583262 ZTKUJPSWWNSXBB-YQVWRLOYSA-N 427.530 3.737 0 40 IHAB COCc1ccc(C(=O)N2CCO[C@@H](c3c(C(=O)N(C)C)sc4ccccc34)C2)cc1 19697783 NWZXTLXGDUPUPH-LJQANCHMSA-N 438.549 3.963 0 40 IHAB Cc1noc(C)c1CC(=O)N1CCC[C@@H](c2ccc3c(N)nc(-c4ccccc4)nc3n2)C1 19743605 MSJFVMXJQMSINY-GOSISDBHSA-N 442.523 3.828 0 40 IHAB Cc1nc([C@@H]2CCCN(C(=O)c3ccncc3)C2)nc2c1CCCN2CCc1ccccn1 19753040 DEDREDCZXUBMMR-OAQYLSRUSA-N 442.567 3.590 0 40 IHAB Cc1ccc(F)c(S(=O)(=O)N2CC[C@H](c3cc(C(=O)N(C)C)c4ccccc4n3)C2)c1 19761041 VBHXFTRIGRRXMC-INIZCTEOSA-N 441.528 3.562 0 40 IHAB CCS(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 19886489 IGAPPSPOXSNTCA-UHFFFAOYSA-N 429.542 3.763 0 40 IHAB CCOc1ccc(NC(=O)COc2ccc(Cl)cc2S(=O)(=O)N2CCCC2)cc1 19935341 UJEHUKHQAVPVJU-UHFFFAOYSA-N 438.933 3.541 0 40 IHAB CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1 20020872 GRKPAZGLCMOODF-UHFFFAOYSA-N 448.438 3.940 0 40 IHAB Cc1c(C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@H]2CCCO2)oc2ccc(F)cc12 21650271 FNATYBNAOOLYQF-MRXNPFEDSA-N 435.455 3.938 0 40 IHAB CN(C)[C@@H](CNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1)c1cn(C)c2ccccc12 21698572 LMDZYEUTBIOQCY-IBGZPJMESA-N 432.446 3.555 0 40 IHAB COc1ccc(OC)c(C(=O)COC(=O)COc2ccc(Cl)cc2Br)c1 23011028 UWEJTTGYLJZKHR-UHFFFAOYSA-N 443.677 3.925 0 40 IHAB CC(C)n1nccc1NC(=O)[C@H](C)OC(=O)c1cccc(NC(=O)c2cccs2)c1 23070327 IOJKILMQUKCEGR-AWEZNQCLSA-N 426.498 3.962 0 40 IHAB O=C(c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)N1CCC[C@@H](C(F)(F)F)C1 24183650 LENXLUBCSXPFLR-CYBMUJFWSA-N 438.899 3.929 0 40 IHAB Cc1cc(=O)c(C(=O)OCc2cc(Cl)c3c(c2)OCCCO3)nn1-c1ccccc1 25852327 RRKJOLZITHFUHT-UHFFFAOYSA-N 426.856 3.713 0 40 IHAB COc1ccc(-c2noc(COC(=O)CCc3c(C)nc(SC)nc3C)n2)cc1OC 26705995 RVRGWOUOAYAMNF-UHFFFAOYSA-N 444.513 3.559 0 40 IHAB COc1ccc2c(c1)CCCN2C(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 27063375 WOTAXXWCDCTFHR-UHFFFAOYSA-N 436.533 3.767 0 40 IHAB CCCCS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(C(=O)N(C)C(C)C)cc2)cc1 31370226 HFMVENVRGGYSGB-UHFFFAOYSA-N 445.585 3.639 0 40 IHAB O=C(NCc1ccc(Cl)cc1Cl)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 31484000 BSTOBOAENUQYJM-HNNXBMFYSA-N 427.353 3.711 0 40 IHAB O=C(c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)N1CCC[C@H]1c1cccnc1 31942198 XCTBYZOMIXZHHF-QFIPXVFZSA-N 433.533 3.810 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(O)=Nc3c(-c4ccccc4OC)cnn32)cc1 32102607 TXSMBVILNXPFFV-SFHVURJKSA-N 434.452 3.907 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2-c2nc(C)no2)ccc1Cl 32936627 XSIXVZUYJAJWLT-UHFFFAOYSA-N 448.932 3.981 0 40 IHAB COc1ccc(C)cc1NC(=O)NCc1cc(=O)n2nc(-c3ccc(C)cc3)sc2n1 32996047 OIRVZKPGVWUXGM-UHFFFAOYSA-N 435.509 3.765 0 40 IHAB Cc1c(CC(=O)N[C@@H](C(=O)O)C(C)C)c(=O)oc2c(C)c3oc4c(c3cc12)CCCC4 33698226 ZVSFTACDUBMBQQ-HXUWFJFHSA-N 425.481 3.803 0 40 IHAB biogenic Cc1nn(-c2ccc3nnc(C)n3n2)c2c1[C@@H](c1cccc(OC(F)F)c1)CC(O)=N2 40266860 YCDVBHYHBZJPNX-CQSZACIVSA-N 425.399 3.652 0 40 IHAB Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)NCCCc3ccccc3)c2=O)c(C)c1 57493075 OZKSYDVEYFNRMG-UHFFFAOYSA-N 447.560 3.580 0 40 IHAB CCCc1nnc2c(=O)n(CC(=O)Nc3ccccc3C(F)(F)F)c3ccccc3n12 57522727 RJUVDSDWWPRENR-UHFFFAOYSA-N 429.402 3.654 0 40 IHAB CC(=O)N1CCc2cc(NC(=O)Nc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)ccc21 58376881 IRYFEAQYOPASAE-HUUCEWRRSA-N 426.492 3.992 0 40 IHAB COc1ccc(-c2nc3c4ccccc4n(CC(=O)c4ccc(F)cc4)c(=O)n3n2)cc1 65534917 QMQCCOJYCGEGRE-UHFFFAOYSA-N 428.423 3.742 0 40 IHAB O=C1COc2cc(S(=O)(=O)N[C@@H](Cc3ccccc3)c3ccccc3)c(Cl)cc2N1 65579090 VDWKGWCHQKHOHV-SFHVURJKSA-N 442.924 3.933 0 40 IHAB COc1cc([C@H]2CC(=O)Nc3c2ncn3-c2cccc(Cl)c2)c(OC)c2c1OCO2 66089604 ACROJBDJGBUNOY-CYBMUJFWSA-N 427.844 3.746 0 40 IHAB Cc1nc(-c2cccc(NC(=O)C3CCN(c4cc(-n5ccnc5)ncn4)CC3)c2)cs1 70638027 XSIBDCXDOSNPHY-UHFFFAOYSA-N 445.552 3.949 0 40 IHAB Cc1ccc([C@H]2CCCN2C(=O)c2cccn(CC(=O)Nc3nccs3)c2=O)cc1C 72344593 YTUXFDBBIIIECC-LJQANCHMSA-N 436.537 3.538 0 40 IHAB CCN1CCN(C(=O)c2ccc(COC)cc2)[C@@H](Cc2ccccc2-c2ccncc2)C1=O 72351342 PVZMTIAWMMXUJU-VWLOTQADSA-N 443.547 3.811 0 40 IHAB CN(C)[C@@H](CNS(=O)(=O)c1cccc(C(F)(F)F)c1)c1cn(C)c2ccccc12 77171694 MCLQNSDDRNQTAT-IBGZPJMESA-N 425.476 3.778 0 40 IHAB COCCOc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1c1cccc(Br)c1 79023419 VALPNOKWTMXENM-GOSISDBHSA-N 447.329 3.777 0 40 IHAB CCNC(=O)c1cc(NC(=O)CCNC(=O)c2ccc3ccccc3c2)nc2ccccc12 89977487 LFTHFLUPNLGWIP-UHFFFAOYSA-N 440.503 3.896 0 40 IHAB CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)Nc1ccc(C(N)=O)c(Cl)c1 95408313 HLRPZXPQAACJEJ-KRWDZBQOSA-N 430.936 3.663 0 40 IHAB O=C1C[C@]2(CCN(S(=O)(=O)Cc3ccc(C(F)(F)F)cc3)C2)Oc2ccccc21 96367678 XRZDXAUFMRNBKE-IBGZPJMESA-N 425.428 3.645 0 40 IHAB O=C(CNS(=O)(=O)c1ccc(F)c(Cl)c1)NCc1ccccc1-c1ccsc1 96383290 YQCCQQQLAPWIQP-UHFFFAOYSA-N 438.933 3.802 0 40 IHAB CSCC[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 96924580 WXIDZAJCTGYTRL-PCCBWWKXSA-N 443.613 3.912 0 40 IHAB COc1cccc(CCCNC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)c1 218798244 HXEVBVWPZRDPAH-UHFFFAOYSA-N 444.578 3.944 0 40 IHAB COc1ccc(CN(C)C(=O)CN2c3ccc(C)cc3-c3ccccc3S2(=O)=O)cc1 219158872 CCOQQPPNLODIFC-UHFFFAOYSA-N 436.533 3.838 0 40 IHAB CSc1cccc(NS(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3)s2)c1 222652009 XLFGSOPOAGBYSO-UHFFFAOYSA-N 440.959 3.967 0 40 IHAB COCc1cccc(NC(=O)CCCN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)c1 224052832 ZCJXUQIXTKWPKG-UHFFFAOYSA-N 440.949 3.680 0 40 IHAB C[C@@H](CNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1)c1ccccc1 224360380 BRLAGBUPXXTJMW-KRWDZBQOSA-N 434.989 3.802 0 40 IHAB COc1ccc(-c2cnc(CCC(=O)N3CCN(c4ccc(F)cc4)CC3)o2)c(OC)c1 224871099 IEQCXTCZGXCIDQ-UHFFFAOYSA-N 439.487 3.779 0 40 IHAB CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C 225554011 KZOSMHJIQLLUAY-GOTSBHOMSA-N 433.581 3.984 0 40 IHAB COc1cc(CNC(=S)Nc2ccc(C(=O)N3CCCCC3)cc2)cc(OC)c1OC 225574356 IICWYFWJWVADRW-UHFFFAOYSA-N 443.569 3.825 0 40 IHAB CCOC(=O)c1ccc(NC(=O)Cn2ccc(=O)c3cc(Br)ccc32)cc1 225729447 BGSFAWWZUCAZQF-UHFFFAOYSA-N 429.270 3.579 0 40 IHAB CC(C)[C@@H]1C[C@@]2(CO[C@H]1c1ccc(F)cc1)CN(C(=O)CCc1cnn(C)c1)CCO2 257265248 LXVWQKVPPCTPLR-XWGVYQGASA-N 429.536 3.523 0 40 IHAB O=C(O)CN(Cc1ccccc1Cl)C(=O)[C@H]1CC[C@H](O)[C@@H](Nc2ccc(F)cc2)CC1 257268258 MKXPONFUUYHDNG-NQERJWCQSA-N 448.922 3.924 0 40 IHAB CC(=O)N1CCC(Cc2cccc(F)c2)(C(=O)N2CCCC[C@H]2c2n[nH]cc2C)CC1 257297812 RIWUPDPIHKFJPN-NRFANRHFSA-N 426.536 3.782 0 40 IHAB CC(=O)Nc1cccc([C@@H]2CN(CCOc3ccc(F)cc3)C[C@]23CCCCC(=O)N3)c1 257320334 VWIGQIIJFOYTLL-UKILVPOCSA-N 439.531 3.691 0 40 IHAB Cc1ccc(-c2ccc3c([C@@H]4CN(C(=O)c5csc(C)n5)CCN4C)nnn3c2)cc1 306140265 UOOFROVFVYFIFD-NRFANRHFSA-N 432.553 3.599 0 40 IHAB O=C(NC1CC1)C(=O)Nn1c(C(=O)Nc2cccc(Cl)c2)cc2cc(Cl)ccc21 408601919 CHTMEJQFWIFPQA-UHFFFAOYSA-N 431.279 3.549 0 40 IHAB CCOC(=O)c1c(NC(=O)CN[C@H](C)c2cc3ccccc3s2)sc(C(N)=O)c1C 527485055 SADLJAKCNJGCLO-GFCCVEGCSA-N 445.566 3.836 0 40 IHAB Cc1nc(C(=O)N[C@H]2C[C@@H]3CCC(C)(C)c4cccc2c43)nn1-c1n[nH]c(C(F)(F)F)n1 540714600 YMFORQWFTTZDBP-FZMZJTMJSA-N 445.449 3.742 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1cccc(Cn2ccnc2)c1 571190210 QZPHPIMLRSTKEL-UHFFFAOYSA-N 438.553 3.748 0 40 IHAB CCOC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1ccc(OC(=O)c2ccccc2)c(OC)c1 723881 ZAWAAHYJCANNGZ-FQEVSTJZSA-N 440.521 3.613 0 40 IHAB COc1ccc2cc(CN(C(=S)NC[C@@H]3CCCO3)C3CCCCC3)c(=O)[nH]c2c1 883155 GNJTUAZWMRECPA-FQEVSTJZSA-N 429.586 3.725 0 40 IHAB Cc1cccc(N2C(=O)C(Cl)=C(Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c1C 947145 IEJUBMWVDCJUDS-UHFFFAOYSA-N 436.899 3.537 0 40 IHAB Cc1cc2c(c(=O)o1)[C@H](c1ccc(Cl)cc1)C(S(=O)(=O)c1ccccc1)=C(N)O2 1402112 NLCGMDXGTBWFJT-KRWDZBQOSA-N 429.881 3.728 0 40 IHAB COC(=O)c1ccc2c(=O)[nH]c3c(C(=O)N[C@@H](C)c4ccccc4)sc(=S)n3c2c1 2956435 RVCQNMUHWFUKDE-NSHDSACASA-N 439.518 3.849 0 40 IHAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CCc3c[nH]c4ccccc34)cc2)n1 3358727 MEDKCYQQHIARRP-UHFFFAOYSA-N 449.536 3.947 0 40 IHAB CCN(CC)C(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3OC)o2)cc1 3448486 XWQGEQHWRMVTRM-UHFFFAOYSA-N 440.525 3.958 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCN(c3cc(C)c4cccc(C)c4n3)CC2)cc1 7736027 ZWLDDWIAIFGJQN-UHFFFAOYSA-N 425.554 3.761 0 40 IHAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3 8877394 CVOSZXGKBXPTQY-UHFFFAOYSA-N 447.413 3.639 0 40 IHAB CCOc1ccc(NC(=O)[C@H](C)N2C(=O)N3CCc4c([nH]c5ccccc45)[C@@]3(C)C2=O)cc1 8918231 SSZIYVYETRVFDE-MQNRADLISA-N 446.507 3.629 0 40 IHAB biogenic CN(C)S(=O)(=O)c1ccc(SCC(=O)Nc2ccccc2-c2ccccc2)nc1 9126270 WGXWTEJRYZHSCH-UHFFFAOYSA-N 427.551 3.730 0 40 IHAB COc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2cccnc2)N2NC=NC2=N3)cc1OC 9309771 CIKPGHUYVVGOQZ-ZEQRLZLVSA-N 439.475 3.903 0 40 IHAB O=C1NC2(CCCC2)C(=O)N1CCCC(=O)N1CCC[C@H]1c1nc2ccccc2s1 9366477 MBMHPHJYTJUVRR-INIZCTEOSA-N 426.542 3.605 0 40 IHAB C[C@@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)C(=O)NC[C@@H](O)c1ccccc1 9449837 BABOHPLXPKWQIW-JLTOFOAXSA-N 441.911 3.942 0 40 IHAB CCS(=O)(=O)c1ccccc1C(=O)N1CCN(c2nc3c(Cl)cccc3s2)CC1 9707708 SVXYAPOQZPMLRY-UHFFFAOYSA-N 449.985 3.706 0 40 IHAB CCc1nnc(SCC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)n1-n1cccc1 9737789 PUUCVKFUCUYBJI-UHFFFAOYSA-N 440.554 3.816 0 40 IHAB C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)c1ccc2c(c1)OCCO2 9883735 KUQMYGGHOMMFJX-XMSQKQJNSA-N 430.504 3.676 0 40 IHAB CCCCn1c(=O)c2ccccc2n2c(S[C@@H](C)c3nc4ccccc4c(=O)[nH]3)nnc12 10053094 REKQOOSTGVKSMF-AWEZNQCLSA-N 446.536 3.934 0 40 IHAB CCCCOc1ccc(C(=O)Nn2cnc3c(cnn3-c3ccc(C)c(C)c3)c2=O)cc1 10251996 MIXYQBQGCXOLEG-UHFFFAOYSA-N 431.496 3.762 0 40 IHAB COc1cccc(-c2nnc(O)c3c2[C@@H](c2ccc(C(C)(C)C)cc2)n2nnnc2N3)c1 10296917 DSNZGSMRXWRDJJ-HXUWFJFHSA-N 429.484 3.837 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 10433860 XPZQCPUVKWBZDP-CQSZACIVSA-N 438.933 3.618 0 40 IHAB CN(c1ccc(OCC(=O)Nc2cc(F)cc(F)c2)cc1)S(=O)(=O)c1cccs1 10901127 BMSGXDVAQBWQPD-UHFFFAOYSA-N 438.477 3.869 0 40 IHAB CSc1cccc(N2C[C@@H](C(=O)NCc3ccc(NC(=O)c4ccco4)cc3)CC2=O)c1 11534572 HQGLYVOHDDXMBD-KRWDZBQOSA-N 449.532 3.923 0 40 IHAB COc1ccccc1CNC(=O)C1(C[C@H]2CC(c3cccc(F)c3)=NO2)CCOCC1 12156993 LTFJPZUTKIPYQG-HXUWFJFHSA-N 426.488 3.831 0 40 IHAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=S)NC(=O)CN1CCCCC1 12656593 ULUQAEWKCNOFQC-UHFFFAOYSA-N 431.583 3.891 0 40 IHAB O=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)c1ccc(Br)cc1 12816990 RKWKWLMFRUVQKY-UHFFFAOYSA-N 437.359 3.554 0 40 IHAB Cc1cccc([C@H](C(=O)NC2CCCC2)N(Cc2cccnc2)C(=O)c2csnn2)c1 12874770 QFBOGFONSGYXJJ-OAQYLSRUSA-N 435.553 3.684 0 40 IHAB C[C@H]1CN(S(=O)(=O)c2cc(C(=O)NCCC3=CCCCC3)ccc2Cl)C[C@H](C)O1 12948692 SPRHWVJCQMBKBB-HOTGVXAUSA-N 440.993 3.758 0 40 IHAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)COc2cccc3ccccc23)CC1 13005764 IWBMBKNMKGHDIQ-UHFFFAOYSA-N 431.536 3.618 0 40 IHAB CCN(C(=O)[C@@H](Nc1ccc(C(F)(F)F)cc1Cl)C(C)C)[C@@H]1CCS(=O)(=O)C1 13030433 RWKHSDLJHBLYRL-CJNGLKHVSA-N 440.915 3.831 0 40 IHAB CCN(CC(=O)NC(C)C)C(=O)CSc1nc(C2CCCCC2)n(-c2ccccc2)n1 13114497 JMYWPHZIASQSTK-UHFFFAOYSA-N 443.617 3.780 0 40 IHAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)CSc1nc2ccccc2s1 13133915 UJRBKKBSOVWFKR-UHFFFAOYSA-N 432.523 3.936 0 40 IHAB COc1ccc(N2C(=O)/C(=C\Nc3ccc4[nH]c(=O)[nH]c4c3)c3ccccc3C2=O)cc1 13162946 NNACEEPKFRVXCD-UYRXBGFRSA-N 426.432 3.505 0 40 IHAB Cc1ccc(N(CC(=O)NCCc2ccccc2)C(=O)CCC(=O)Nc2ccccn2)cc1 13501258 QWQYFYVNXDDJDF-UHFFFAOYSA-N 444.535 3.501 0 40 IHAB CCCC[C@H](c1nnnn1Cc1ccc(OC)cc1)N1CCN(c2ccccc2F)CC1 13504900 LTMOYSUNVZOJCY-HSZRJFAPSA-N 438.551 3.923 0 40 IHAB O=C1OCC2=C1[C@@H](c1ccc3c(c1)OCO3)CC(=O)N2c1ccc(Br)cc1 13567546 ACERPDDXXVGVNO-CQSZACIVSA-N 428.238 3.509 0 40 IHAB COc1ccc([C@H]2OCC(C)(C)n3c(-c4ccccc4)c4c(=O)n(C)c(=O)n(C)c4c32)cc1 13572870 HCCWRYAMNCKOGP-HSZRJFAPSA-N 445.519 3.569 0 40 IHAB O=C(O)CCC(=O)Nc1ccc(S[C@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)cc1 13578907 JGRDCVWUEDIXIX-INIZCTEOSA-N 432.885 3.568 0 40 IHAB CCCCCn1c(-c2ccc(Cl)cc2Cl)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 13758083 CUHOTJSAMAMDPN-UHFFFAOYSA-N 434.327 3.850 0 40 IHAB NC(=O)COc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)O)c3-c2ccc(F)cc2)cc1 15082786 ZOVAUVAZEJQFPG-HNNXBMFYSA-N 440.452 3.591 0 40 IHAB COc1ccccc1N1CCN(Cc2cc(=O)n3nc(C4CCCCC4)sc3n2)CC1 15731916 ZNYBBHRXNQYFKD-UHFFFAOYSA-N 439.585 3.530 0 40 IHAB O=C(Nc1cccc(C(F)(F)F)c1)N1CCC2(CC1)NC(=O)N(Cc1ccccc1)C2=O 17179084 AOLDGTFQFYRJGQ-UHFFFAOYSA-N 446.429 3.824 0 40 IHAB O=C(CCCOc1ccccc1F)N1CCC(c2cc(C(F)F)n3ncnc3n2)CC1 19350259 BKELGIRJOIFZMY-UHFFFAOYSA-N 433.434 3.766 0 40 IHAB COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)[C@@H](C)N1CCN(C2CCCCC2)CC1 19372536 GCBHFBYAXBDXFB-OAHLLOKOSA-N 446.979 3.885 0 40 IHAB CCC(CC)C(=O)N1CC[C@@H](c2nc(O)c3c(n2)CCN(Cc2ccccc2OC)C3)C1 19500097 JQCGSOQJZISENK-LJQANCHMSA-N 438.572 3.501 0 40 IHAB COc1cc(CN2CCC([C@H]3C[C@H](C(=O)Nc4ccc(F)cc4)CN3C)CC2)ccc1O 19587659 GXDZFAJUVFBSHZ-SIKLNZKXSA-N 441.547 3.711 0 40 IHAB Cc1cc(Cc2ccc(Cl)cc2)cc([C@H]2CCCN2S(=O)(=O)c2cn(C)cn2)n1 19691896 WDGQSCUOCWJRAO-HXUWFJFHSA-N 430.961 3.894 0 40 IHAB CN(C)c1ncc(-c2cnn(C)c2)c([C@H]2CCN(C(=O)CCc3cccc(Cl)c3)C2)n1 19693197 VAHCHHCCKJYPBR-KRWDZBQOSA-N 438.963 3.545 0 40 IHAB Cc1cc(CCCC(=O)N2CCO[C@@H](c3c(C(N)=O)sc4ncccc34)C2)ccc1F 19703234 XNTOMWJBEDRLSK-GOSISDBHSA-N 441.528 3.766 0 40 IHAB Cc1cc2occ(CC(=O)N3CCCC[C@H]3c3nc(C)c4c(n3)N(C)C(=O)C4)c2cc1C 19739594 UQKCKRHWWJUQDK-FQEVSTJZSA-N 432.524 3.963 0 40 IHAB CCn1ccc(C(=O)N2CCCC[C@H]2c2ncc(C(=O)Nc3ccc(F)cc3)c(C)n2)n1 19765042 LMRCIPDCTXXFRS-FQEVSTJZSA-N 436.491 3.760 0 40 IHAB COc1ccc(NC(=O)c2cnc([C@@H]3CCN(C(=O)Cc4ccccc4F)C3)nc2C)cc1 19766195 BOMSFOYTQRWUMU-GOSISDBHSA-N 448.498 3.744 0 40 IHAB COc1ccc(Cl)cc1C(=O)NC(=S)Nc1cc(C(=O)O)cc(Cl)c1OC 20152569 OSJVHDQWERWAPZ-UHFFFAOYSA-N 429.281 3.836 0 40 IHAB O=C(Nc1ccc2c(c1)OCO2)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 20405081 YNOQMJNEVAIWTB-UHFFFAOYSA-N 428.798 3.837 0 40 IHAB CCC(=O)Nc1nnc(SCc2cc(=O)n3nc(C4CCCCC4)sc3n2)s1 20984423 VVNNBLHZNCQQKM-UHFFFAOYSA-N 436.588 3.691 0 40 IHAB O=C1CC2(CCCCC2)C(=O)N1CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 22015354 LIRSOORWYOZNGC-MRXNPFEDSA-N 425.510 3.728 0 40 IHAB CCCOc1ccccc1CCCNC(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 22328351 BCCMQSDVLJVQMW-UHFFFAOYSA-N 432.586 3.607 0 40 IHAB Cc1nc2sc([C@H](c3ccc(F)c(F)c3)N3CCN(c4ccccc4)CC3)c(O)n2n1 22626901 UCTXFDJNXMOUMU-IBGZPJMESA-N 441.507 3.995 0 40 IHAB COc1ccc(NC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2cccs2)cc1Cl 22732371 SJVMPEFTDIYTHE-AWEZNQCLSA-N 428.963 3.982 0 40 IHAB CC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(Cc3cccnc3)c3nc4ccccc4n32)cc1 23411680 YFIITXKJSADHAA-QFIPXVFZSA-N 439.475 3.751 0 40 IHAB C[C@@H](NC(=O)CN1CCC(Cc2ccccc2)CC1)[C@H](c1ccccc1)N1CCOCC1 24572638 QWEPIRRBZOQCGP-AJTFRIOCSA-N 435.612 3.519 0 40 IHAB Cn1c(SCC(=O)N2CCC[C@@H]2c2cccs2)nnc1[C@H]1COc2ccccc2O1 24630770 MERHYVBSOJLINH-RHSMWYFYSA-N 442.566 3.845 0 40 IHAB NC(=O)[C@H]1CC(C(=O)Nc2ccc(SCc3cccnc3)cc2)=NN1c1ccc(F)cc1 24763227 XEPAIOFWFPMOER-OAQYLSRUSA-N 449.511 3.572 0 40 IHAB COc1ccc(C(=O)Nc2ccc3[nH]c(C(C)(C)C)nc3c2)cc1S(=O)(=O)NC(C)C 24923668 KILJMCZDLBEEPB-UHFFFAOYSA-N 444.557 3.808 0 40 IHAB COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)N1CCC(Cc2ccccc2)CC1 25572170 MDQNOSHINWGPBZ-UHFFFAOYSA-N 443.975 3.700 0 40 IHAB CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 27081324 BMNXHIPBSSAENS-UHFFFAOYSA-N 431.517 3.791 0 40 IHAB CNC(=O)c1ccc(CN(Cc2ccco2)C(=O)c2cc(Cl)c3c(c2)OCCO3)cc1 30227720 JSMCQPVMZAHYTC-UHFFFAOYSA-N 440.883 3.906 0 40 IHAB COc1ccc(S(=O)(=O)NCc2ccc(COCc3ccccc3)cc2)cc1OC 32441776 QQTYCYWQPICUBW-UHFFFAOYSA-N 427.522 3.899 0 40 IHAB CCOC(=O)C1=C(CSc2ccc3c(c2)OCCCO3)NC(=O)N[C@H]1c1ccc(C)o1 32754863 FPMHVUPSKCOEAG-FQEVSTJZSA-N 444.509 3.713 0 40 IHAB COc1ccc(NC(=O)CSc2nnc3c4cc(-c5ccccc5)nn4ccn23)cc1 35483887 VCQKJJSXVRBIKX-UHFFFAOYSA-N 430.493 3.783 0 40 IHAB Cc1c(NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)c(=O)n(-c2ccccc2)n1C 38850132 LWAXTEGMRDHXLD-LJQANCHMSA-N 438.959 3.989 0 40 IHAB CC(C)CN(CC(C)C)C(=O)CN1C(=O)N[C@@](C)(c2cccc(C(F)(F)F)c2)C1=O 40116797 IAWIFHKNCWSAPH-FQEVSTJZSA-N 427.467 3.613 0 40 IHAB NC(=O)c1cc(NC(=O)[C@H]2CCCN(c3ncccc3C(F)(F)F)C2)ccc1Cl 40132834 LGUXJXZCBREDLL-NSHDSACASA-N 426.826 3.708 0 40 IHAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCC[C@@H]3c3ccsc3)cc2)C[C@@H](C)O1 46844077 XQUPNPJLIVFUQG-GQIGUUNPSA-N 434.583 3.523 0 40 IHAB Cc1cc(OCC(=O)Nc2ccccc2Cl)nc(N2CCN(c3ccccc3)CC2)n1 48985738 XFVKKFATGLAGHB-UHFFFAOYSA-N 437.931 3.783 0 40 IHAB CC(=O)Nc1ccc2c(COC(=O)c3ccc(-n4nc(C)cc4C)cc3)cc(=O)oc2c1 49573927 BIALWNRDYVMTQT-UHFFFAOYSA-N 431.448 3.911 0 40 IHAB CCn1c(CC(=O)Nc2cc(C)ccc2C)nnc1SCc1nc2ccccc2c(=O)[nH]1 57291673 VGCVLBDLPUWXKM-UHFFFAOYSA-N 448.552 3.625 0 40 IHAB O=C(CSc1ccc(F)c(F)c1)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 58156854 GQDZFUUDOBBGDQ-GOSISDBHSA-N 446.567 3.513 0 40 IHAB CNS(=O)(=O)c1ccc(C(=O)N[C@H](Cc2cccc(F)c2)c2cccc(F)c2)cc1 58178707 WGFGQOTYBSBHSI-OAQYLSRUSA-N 430.476 3.587 0 40 IHAB CC[C@@](C)(CNC(=O)Nc1cc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)ccc1C)N1CCOCC1 58405248 GGHXKRDKCXAJAU-CEYNDMKZSA-N 444.620 3.736 0 40 IHAB Cc1ccc(S(=O)(=O)c2ccc(CN3C(=O)N[C@@](C)(c4cccs4)C3=O)cc2)cc1 58423659 CBWDICSOLYCJMP-QFIPXVFZSA-N 440.546 3.857 0 40 IHAB COC(=O)c1c(NS(=O)(=O)c2ccc(Br)cc2)sc2c1CCCC2 59456075 SICYDDLSLZRYIQ-UHFFFAOYSA-N 430.345 3.977 0 40 IHAB CCCCN(C)C(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc2c(c1)OCO2 67291032 VKMCHXSVAJUWIM-UHFFFAOYSA-N 439.537 3.524 0 40 IHAB CCOc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccccc2C(F)(F)F)c1C 67323421 VWHSADXYAXJHNP-UHFFFAOYSA-N 447.417 3.895 0 40 IHAB O=C(c1ccccc1)N1CCCCC[C@@H]1C1CCN(Cc2nnnn2-c2ccccc2)CC1 69840489 GZKHDGJUZUTMJS-XMMPIXPASA-N 444.583 3.959 0 40 IHAB O=C(C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)N1CC[C@H](N2CCCC2)C1 71874873 LNTLWKOGZRQNAX-INIZCTEOSA-N 430.902 3.667 0 40 IHAB COc1ccccc1OCCN(C)Cc1c([C@H]2CCCN(C(C)=O)C2)[nH]c2ncccc12 72395276 TWICYWGBKGLKST-IBGZPJMESA-N 436.556 3.808 0 40 IHAB O=C(NC1(c2nc(C3CC3)no2)CCCCC1)[C@H]1CC(=O)N(Cc2ccc(Cl)cc2)C1 77197391 ZYKYRVCAWCMPDM-KRWDZBQOSA-N 442.947 3.925 0 40 IHAB COc1ccc(NC(=O)c2nnc(CN3CCC[C@H]3CC(=O)c3ccco3)s2)cc1 83949955 TTZGQUZYFJHRJE-HNNXBMFYSA-N 426.498 3.629 0 40 IHAB CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3ccccc3)C2=O)cc1 103187951 DMTOWFDANFMRDL-RJGXRXQPSA-N 442.471 3.914 0 40 IHAB CC1(C)[C@@H]2CC[C@]1(C)[C@H](n1c(=O)n3n(c1=O)[C@@H]1[C@H]4[C@@H]5[C@@H]6[C@H]4[C@]14CCc1ccccc1[C@@]64[C@@H]53)C2 104293856 SIOJNJDNFFYJBS-AFVIMDSMSA-N 441.575 3.684 0 40 IHAB CC1(C)[C@@H]2CC[C@@]1(C)[C@H](n1c(=O)n3n(c1=O)[C@@H]1[C@H]4[C@@H]5[C@@H]6[C@H]4[C@]14CCc1ccccc1[C@@]64[C@@H]53)C2 104293864 SIOJNJDNFFYJBS-ZWPXDMGISA-N 441.575 3.684 0 40 IHAB CCOC(=O)c1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)c(C)c1 216258957 IKQLIZQCPJALKQ-UHFFFAOYSA-N 444.553 3.740 0 40 IHAB Cc1noc(C)c1-c1cc([C@](O)(c2cccnn2)[C@H]2CCCO2)c2nc(C3CC3)[nH]c2c1 219392501 NOLOEUZMYMVHJL-YKSBVNFPSA-N 431.496 3.917 0 40 IHAB O=C(c1cc(=O)[nH]c2ccccc12)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 220700589 CSYWYWVMFTUYQS-OAHLLOKOSA-N 432.455 3.812 0 40 IHAB COc1ccc(CN(C)C(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)cc(C)cc3C)C2)cc1 222562674 PPSRAWLNFSAKRZ-OAQYLSRUSA-N 444.597 3.680 0 40 IHAB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccnc2)c1C 223715348 CESRKQSUYBLQHS-DHIUTWEWSA-N 449.580 3.810 0 40 IHAB Cc1ccc(C(=O)NCCOc2ccccc2C(C)C)cc1S(=O)(=O)N1CCCC1 223770648 QBOZCXWWVLUEPA-UHFFFAOYSA-N 430.570 3.712 0 40 IHAB CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)COc1ccc(OC)cc1 224032385 VPZZFTMJTOXSRP-QHCPKHFHSA-N 426.557 3.840 0 40 IHAB CCOC(=O)c1cc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)ccc1Cl 224250183 XQNQDDLTDOMVLZ-UHFFFAOYSA-N 448.928 3.617 0 40 IHAB Cc1ccc(Cl)cc1N(CC(=O)Nc1nnc(-c2ccccc2)s1)S(C)(=O)=O 224937208 QTLQJBOIZWSMDH-UHFFFAOYSA-N 436.946 3.572 0 40 IHAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1cccc(N(C)S(C)(=O)=O)c1 225686852 HDBDMJXFPPEOBQ-GOSISDBHSA-N 449.598 3.680 0 40 IHAB O=C(c1ccccc1Br)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1 225819832 XKMZHVOAFYRJFV-UHFFFAOYSA-N 442.313 3.523 0 40 IHAB Cc1nc2cc([C@@H]3CCN(C4CCCCC4)C3)nn2c(O)c1CCC(=O)NC1CCCC1 257210881 BWNUTRJMNWAFLI-GOSISDBHSA-N 439.604 3.857 0 40 IHAB CC(C)N(C(=O)CN1CCO[C@@H](c2cccc(Nc3ncccn3)n2)C1)C1CCCCC1 257248194 JCOYXEDSCOBWLU-OAQYLSRUSA-N 438.576 3.558 0 40 IHAB CC(C)c1ncc(C(=O)N2CCCC[C@]2(C)C(=O)NCc2ccc3c(c2)CCCO3)cn1 257254206 KCERFSIWEBITMH-RUZDIDTESA-N 436.556 3.626 0 40 IHAB Cc1c(C(=O)N2CCNC(=O)[C@H]2Cc2ccc(-c3cccnc3)cc2)[nH]c2ccc(F)cc12 257265609 LZKMDIWMCMAAPE-HSZRJFAPSA-N 442.494 3.861 0 40 IHAB CCCc1cc(Nc2ncc(C)s2)nc(C2CCN(C(=O)[C@@]3(C)CCCN3)CC2)n1 257305648 SQWNCHMHDUATIX-JOCHJYFZSA-N 428.606 3.786 0 40 IHAB CNC(=O)c1cccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)c2cc(C)cs2)c1 257324667 WPQICHWNSBIJDE-GOSISDBHSA-N 443.569 3.850 0 40 IHAB Cc1cc(Nc2cccc([C@H]3CN(C(=O)CCOc4cccc(F)c4)CCO3)n2)no1 257330495 XORFYZDXESRCSH-LJQANCHMSA-N 426.448 3.630 0 40 IHAB CO[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2c2nc(O)c3c(n2)CN(C2CCCC2)CC3)CC1 257342817 ZQGJHGDYSLBEHP-JLMWRMLUSA-N 442.604 3.742 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCCc3ccccc3Cl)C2)cc1 260903570 PMBXITPMCRVTAZ-IBGZPJMESA-N 434.989 3.798 0 40 IHAB O=C(Cc1ccccc1)Nc1cc2nc(O)[nH]c2cc1N1CCN(c2ccccc2)CC1 408536625 WWQFYZPNHJFLFW-UHFFFAOYSA-N 427.508 3.776 0 40 IHAB CCn1c(CC(=O)Nc2ccccc2)nnc1SCC(=O)Nc1cccc(Cl)c1 409340251 SUUWUDKHHDAQSA-UHFFFAOYSA-N 429.933 3.863 0 40 IHAB CCn1c(CC(=O)Nc2ccccc2)nnc1SCC(=O)Nc1ccc(Cl)cc1 409348846 SVPGONJTVSQQRH-UHFFFAOYSA-N 429.933 3.863 0 40 IHAB O=C(c1ccc(Cl)cc1)N(CCO)CCCN1C(=O)c2cccc3cccc(c23)C1=O 409378181 NCZJDGSFKBKJSP-UHFFFAOYSA-N 436.895 3.614 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccccc2SC)C1 409388575 DTKAHVGXDPZHQM-MRXNPFEDSA-N 434.583 3.765 0 40 IHAB Cc1nc(CN2CC[C@@H]3CN(S(=O)(=O)c4ccc5ncsc5c4)C[C@@H]3CC2)cs1 2056224240 MURFFVMMHBQBOL-IYBDPMFKSA-N 448.639 3.594 0 40 IHAB O=C(CSc1nc2c(c(=O)n1-c1ccc(F)cc1)SCC2)N1CCc2ccccc21 755449 GFNFXWFOVQUJOB-UHFFFAOYSA-N 439.537 3.701 0 40 IHAB O=C(O)c1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)cc1O 2314818 HBRCKKRDKWTFFP-UHFFFAOYSA-N 436.449 3.578 0 40 IHAB COC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccc(O)c2)nc1C 3643324 UDGAKOZJVNNGPV-QGZVFWFLSA-N 448.456 3.800 0 40 IHAB Cc1ccc(S(=O)(=O)N(C(=O)c2ccncc2)c2ccc3oc(=O)sc3c2)cc1 3653959 VZCYLZFVRDUTGD-UHFFFAOYSA-N 426.475 3.594 0 40 IHAB COc1ccc(NC(=S)N(CCCO)Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1 4127626 ZENYYMPKDHRYCC-UHFFFAOYSA-N 425.554 3.735 0 40 IHAB CC[C@@H](C)c1ccc(N(CC(=O)NC(C)(C)C)C(=O)CNC(=O)c2cccs2)cc1 4861379 RMFRVBFNESFTJA-MRXNPFEDSA-N 429.586 3.939 0 40 IHAB CC(C)OC(=O)c1cc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)cc(C(=O)OC(C)C)c1 8454427 FJKZTTSZCFHTJP-CFGMGRTJSA-N 431.485 3.502 0 40 IHAB CC[C@H](C)[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(=O)N(CC)CC 8694335 VDLYJQCMLYRAIR-HTAPYJJXSA-N 439.556 3.960 0 40 IHAB CC(C)C[C@@H](C(=O)OCC(=O)Nc1cccc2ccccc12)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 8777997 CYXIWMMECLFHTN-ONTIZHBOSA-N 448.519 3.687 0 40 IHAB CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3F)c(F)c2)cc1 8810716 JRTCHVVUAFBZTJ-UHFFFAOYSA-N 445.447 3.976 0 40 IHAB COC(=O)[C@@](NC(=O)c1ccc(Cl)cc1)(Nc1nc(C2CC2)cs1)C(F)(F)F 8846301 IHWHSKJPXREHMW-MRXNPFEDSA-N 433.839 3.947 0 40 IHAB O=C(NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1ccc(-n2cccc2)cc1 8862250 WSNXAEXKIHTSJW-UHFFFAOYSA-N 436.471 3.618 0 40 IHAB COc1ccc(C2(CNC(=O)C(=O)N[C@H](C)CCc3ccccc3)CCCC2)cc1OC 9033166 VHCDTJKKEKJWJX-LJQANCHMSA-N 438.568 3.769 0 40 IHAB biogenic O=C(CSc1nnc(-c2ccc(Br)cc2)n1C1CC1)Nc1nncs1 9143027 UQWPDXPYZMHHKS-UHFFFAOYSA-N 437.348 3.625 0 40 IHAB Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc(N4CCOCC4)cc3)o2)c1 9263826 CJFHCWCWPITWEI-UHFFFAOYSA-N 440.525 3.524 0 40 IHAB O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCN=C1SCc1ccccc1 9381033 NLGTZSHSFPGDNB-UHFFFAOYSA-N 443.594 3.606 0 40 IHAB COc1ccc(OC)c(-c2noc(CN([C@H]3CCCc4ccccc43)S(C)(=O)=O)n2)c1 9410185 OWAONOQNFSCIJP-IBGZPJMESA-N 443.525 3.593 0 40 IHAB O=C(C[C@H]1SC(N2CCCC2)=NC1=O)Nc1ccc(C(=O)NC2CCCCCC2)cc1 9413455 KSIYZHWVBSMMIL-LJQANCHMSA-N 442.585 3.562 0 40 IHAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)Cn2ncc3ccccc3c2=O)cc1 9513586 DABNQOGENXPETA-DEOSSOPVSA-N 438.487 3.783 0 40 IHAB CC(C)CCn1c(=O)c2ccccc2n2c(CCC(=O)N[C@@H](C)c3ccccc3)nnc12 9831590 BSFIQXLSGPKXIZ-SFHVURJKSA-N 431.540 3.900 0 40 IHAB Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3cccc(Br)c3)C2=O)c(C)n1C1CC1 9835134 NHFCHLNMOGBPKG-NRFANRHFSA-N 444.329 3.852 0 40 IHAB COc1ccc(C)cc1CN(C)C(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 9918929 ADFAYGNGIXKPCV-DTQAZKPQSA-N 442.581 3.675 0 40 IHAB COc1ccc(C)cc1[C@@H](C)NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 9919351 AXOUJIHXFCUHSX-MRXNPFEDSA-N 428.510 3.566 0 40 IHAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)CCc2ncc(-c3ccccc3F)o2)c1C 12278540 JJYMZWCHRHHVCL-CQSZACIVSA-N 442.443 3.959 0 40 IHAB COc1cccc2cc(-c3ccc(OCC(=O)N[C@H](CO)c4ccccc4)cc3)c(=O)oc12 12296691 JYSSZIWYJNLSFR-JOCHJYFZSA-N 445.471 3.697 0 40 IHAB biogenic COCCCn1c(=O)c2ccccc2n2c(=S)n(CN3CCC[C@@H]4CCCC[C@@H]43)nc12 12551034 QSKJGMVHFGKYON-HKUYNNGSSA-N 441.601 3.829 0 40 IHAB Cc1ccc(NC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)cc1S(=O)(=O)N(C)C 12805792 PLDJTJMLWMVPHX-UHFFFAOYSA-N 447.557 3.522 0 40 IHAB O=C(c1sccc1-c1ccccc1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 12922147 RKKYKJWBGFOGTE-UHFFFAOYSA-N 448.516 3.840 0 40 IHAB Cc1cc(OCC(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)ccc1Cl 13000687 MAYDHNFSUHNEHY-UHFFFAOYSA-N 428.872 3.885 0 40 IHAB O=C(CN1CCc2ccccc21)NCCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O 13041123 GFIPSXDDJHONBT-UYRXBGFRSA-N 441.940 3.555 0 40 IHAB CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(Cn3sc4ccccc4c3=O)CC2)cc1 13062051 SOXYHUOQRALONF-QGZVFWFLSA-N 445.610 3.541 0 40 IHAB Clc1ccc([C@H](c2nnnn2Cc2ccco2)N2CCN(c3ccccc3)CC2)cc1 13505055 KXRAYWHBBMVUFI-JOCHJYFZSA-N 434.931 3.879 0 40 IHAB COc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=S)NC[C@@H]3CCCO3)cc2c1 13570717 YCWOQAZXZGKRAG-NRFANRHFSA-N 437.565 3.592 0 40 IHAB O=C(NC(=S)NCc1ccccc1)c1cc(I)ccc1Cl 13946233 XUASGSHJPIQNBP-UHFFFAOYSA-N 430.698 3.749 0 40 IHAB COc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@@H](O)c3ccc(Br)cc3)CC1)O2 13998249 NZSQSJHSOGLQLC-WOJBJXKFSA-N 448.357 3.842 0 40 IHAB Cc1nc(-c2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)cc2)cs1 14129150 ASUCUFJYYDSIIN-INIZCTEOSA-N 435.505 3.881 0 40 IHAB Cc1cc(N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)nc(C(C)C)n1 15357387 ZNRXYKLQXNPDNQ-UHFFFAOYSA-N 429.373 3.726 0 40 IHAB C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)c(Cl)c2)C1=O 15858443 APOTUDUWIPTJOW-SNVBAGLBSA-N 446.834 3.924 0 40 IHAB CC(C)N(CCNC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)C(C)C 16600118 YOTPYHURRMUBPD-UHFFFAOYSA-N 437.993 3.989 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 16638966 RNQYXNQSGMPYTA-UHFFFAOYSA-N 446.569 3.828 0 40 IHAB CN(C)S(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)cc1 16740460 FYCCNFMBFQTKSG-UHFFFAOYSA-N 432.505 3.799 0 40 IHAB CCOc1ccc(N2CCn3c(SCC(=O)Nc4ccccc4OC)nnc32)cc1 17307759 AVJCVTMZFDNDPF-UHFFFAOYSA-N 425.514 3.568 0 40 IHAB COc1ccc(CC(=O)N2CCC[C@@H](c3cc(N(C)C)nc(-c4cccnc4)n3)C2)cc1 19584364 ROVZWFFFUORPJY-HXUWFJFHSA-N 431.540 3.562 0 40 IHAB Cc1nn(C)c(C)c1CCCNC(=O)c1sc2ccccc2c1[C@@H]1CN(C)CCO1 19696724 YECNNTXRNSDCFX-IBGZPJMESA-N 426.586 3.617 0 40 IHAB COc1ccccc1NC(=O)c1cnc([C@H]2CCN(C(=O)c3cc(C(C)C)n[nH]3)C2)nc1C 19766124 DDDDSRZSHROKSF-INIZCTEOSA-N 448.527 3.522 0 40 IHAB C[C@@H]1[C@@H](NC(=O)c2ccccn2)CC[C@]2(C)CC[C@H]([C@H](C)C(=O)N3CCCCC3)[C@H](O)[C@@H]12 20467204 LUWNCOZCVGMMHG-GRHOEMPPSA-N 441.616 3.652 0 40 IHAB biogenic,in-vitro COc1ccc(-c2nc3n(n2)[C@@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)C(=O)N3)cc1 20744875 LTWDMSBPFOVAKN-HNNXBMFYSA-N 432.267 3.783 0 40 IHAB CCSc1nnc(NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)s1 21281807 VAZFPOGMFNOBFD-UHFFFAOYSA-N 426.570 3.765 0 40 IHAB O=C(Nc1ccc(N2CCCC2)nc1)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 22390484 KSGPKYFFJUWMSW-UHFFFAOYSA-N 440.500 3.874 0 40 IHAB CCOc1ccccc1-c1nc(CC(=O)Nc2ccccc2NS(C)(=O)=O)cs1 24895285 YNEKDDPCRWKYFG-UHFFFAOYSA-N 431.539 3.762 0 40 IHAB CN(C)S(=O)(=O)c1ccc(SCc2nc(-c3ccc(C(F)(F)F)cc3)no2)nc1 25353284 MZVINYYLHZGVEN-UHFFFAOYSA-N 444.460 3.693 0 40 IHAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)cc1 28209528 TWHREIUUWAYHNO-INIZCTEOSA-N 427.309 3.620 0 40 IHAB Cc1ccc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1NS(C)(=O)=O 32908889 SXHIDMYZVWMBPZ-UHFFFAOYSA-N 429.567 3.996 0 40 IHAB O=C(NC[C@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1)c1ccc2nsnc2c1 38565183 ISCRQJLPZCOMIP-GOSISDBHSA-N 447.538 3.837 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc3[nH]c(-c4cccs4)nc3c2)cc1 48290690 RMYIEJHKZUJWBW-UHFFFAOYSA-N 440.550 3.859 0 40 IHAB O=C(O)c1ccc(CN2CCC[C@H]2c2nc(-c3ccc(-c4cncnc4)nc3)no2)cc1 49155299 CNJAUVGJRJFNFK-FQEVSTJZSA-N 428.452 3.624 0 40 IHAB biogenic,in-vitro COC(=O)c1ccc(NC(=O)CN2CCC(c3nc(-c4ccc(C)cc4)no3)CC2)cc1 49403279 TYGKFNCHIMVDLU-UHFFFAOYSA-N 434.496 3.650 0 40 IHAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)CN1CCN(c2cccc(Cl)c2)CC1)CC3 57061314 BTRKGNXYPTVYKS-UHFFFAOYSA-N 438.959 3.537 0 40 IHAB NS(=O)(=O)c1ccc(F)c(C(=O)OCc2csc(-c3ccccc3Cl)n2)c1F 64192706 YSHFIFUHAJRLLT-UHFFFAOYSA-N 444.868 3.746 0 40 IHAB Cc1ccc(C)c2[nH]c(=O)c(CNc3ccc(N4CCN(c5ncccn5)CC4)cc3)cc12 72396135 DBGYPHYGVANQBW-UHFFFAOYSA-N 440.551 3.874 0 40 IHAB CC[C@@H](NC(=O)CCc1c(C)c2ccc(OC)cc2oc1=O)[C@@H](O)c1ccccc1F 78994784 YVSBCHPIIDHMSB-OFNKIYASSA-N 427.472 3.810 0 40 IHAB CC(C)c1nc(-c2ccc(N3CCN(C(=O)c4nc5ccccc5s4)CC3)nc2)no1 90558860 GHXGNLYISKWOTM-UHFFFAOYSA-N 434.525 3.827 0 40 IHAB CN(CCCOc1cccc(S(C)(=O)=O)c1)C[C@H]1CO[C@H](c2ccc(Cl)cc2)O1 95448107 AHIFEZGNBDOXHT-FPOVZHCZSA-N 439.961 3.558 0 40 IHAB CCSc1ccccc1C(=O)NCc1nn(CCN2CCCC2)c(=O)c2ccccc12 96024227 GZBTVKSRMMHLBK-UHFFFAOYSA-N 436.581 3.534 0 40 IHAB O=C(c1ccc(Cn2ccnc2)cc1)N1CCC(Oc2ncccc2Br)CC1 96102939 LKXVMAAMOFQFDJ-UHFFFAOYSA-N 441.329 3.773 0 40 IHAB O=C(C[C@@H]1CC2(CCN(C(=O)N3CCCC3)CC2)Oc2ccccc21)NCc1ccco1 96243003 GCMPSRBSHWLXSL-LJQANCHMSA-N 437.540 3.903 0 40 IHAB CCOC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cccnc2SC)CC1 96889844 OYDVZAWFBNWCDF-SFHVURJKSA-N 433.961 3.519 0 40 IHAB CCCOc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc1OCC 106758465 PVDDPSSRNNAJHF-RGEXLXHISA-N 432.542 3.923 0 40 IHAB CCOC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)c1 220001771 CWQKINHKVWLIGC-UHFFFAOYSA-N 430.526 3.536 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)NCCNc1ccnc2cc(Cl)ccc12 223008235 BMLXGURNEPQQDX-UHFFFAOYSA-N 426.325 3.941 0 40 IHAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1ccc(F)cc1 223986901 BCPRJZBTMCPZDG-QFIPXVFZSA-N 430.520 3.937 0 40 IHAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(OC)cc1 224910434 OYXZPQKYLKCDGJ-HSZRJFAPSA-N 442.556 3.662 0 40 IHAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)COc1ccc(F)cc1 225594891 XINIICRDJRRJKI-DEOSSOPVSA-N 434.511 3.899 0 40 IHAB C[C@H]1C[C@@H](C)CN(c2cc(N3CCCCC3)nc(NC(=S)NCc3cccnc3)n2)C1 225939781 GVEMQIDBYQGAJD-HDICACEKSA-N 439.633 3.831 0 40 IHAB CCC(=O)Nc1ccc(S(=O)(=O)N2CCC(Oc3ccncc3Cl)CC2)c(C)c1 244986248 JMOJWYOPXYVTKO-UHFFFAOYSA-N 437.949 3.624 0 40 IHAB CCOc1cccc2c1OC(C)(C)[C@@H]1C[C@@H]3[C@@H](CCCN3C(=O)CCCC(=O)O)O[C@@H]21 257216975 CWYMMDIIMNNHAV-IDVKNYFZSA-N 431.529 3.948 0 40 IHAB COc1cc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@H]4NC(=O)CCO)ccc1OC(F)F 257227937 FRPRDHJDLPLOPM-PQIDGVOGSA-N 439.499 3.678 0 40 IHAB CCN(CC)C(=O)c1cnc(C(C)C)nc1[C@H]1CC[C@H](CNC(=O)[C@H]2CCCO2)CC1 257236917 HEIBZSSQUYWOID-QWFCFKBJSA-N 430.593 3.651 0 40 IHAB COc1ccccc1Cc1cnc([C@H]2CCCCN2C(=O)CN2CCCCCC2=O)o1 257257452 KPPIERZNBWOAEG-HXUWFJFHSA-N 425.529 3.730 0 40 IHAB O=C(CN1CC[C@@]2(CCCO2)[C@H](OCc2ccccc2)C1)N1CCSc2ccccc21 257301897 SALNELDFTSKCRY-NOZRDPDXSA-N 438.593 3.966 0 40 IHAB COc1cccc(N(C)CCC(=O)N2CCC[C@H](c3cccc(Nc4cnccn4)n3)C2)c1 257312355 UNOHTHFWAKWREC-IBGZPJMESA-N 446.555 3.856 0 40 IHAB Cc1cc(-c2ccccc2)cc([C@H]2CCCN(C(=O)c3cccc(S(N)(=O)=O)c3)C2)n1 257337618 YTOQEPHMUZVPJQ-FQEVSTJZSA-N 435.549 3.724 0 40 IHAB Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)N[C@H](C)CCc1ccccc1 408581807 ALKACHYATCSXHL-HXUWFJFHSA-N 444.597 3.686 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](C)CCc3ccccc3)C2)cc1 408583793 KFDRLWBQUOKVGK-TZIWHRDSSA-N 444.597 3.624 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1)N1CCCCCC1 408598141 XIAGHGFURJGKEE-UHFFFAOYSA-N 431.514 3.667 0 40 IHAB Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)c2)c(C)c1 408651336 ATVTUQAETMLYJB-PMACEKPBSA-N 434.492 3.779 0 40 IHAB C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]21 408664032 YOVDDFUIXFDFLT-JJXUHFIVSA-N 436.895 3.777 0 40 IHAB CCCOC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccccc2C)cc1 408666014 NDKMDAJIWMEIDH-UHFFFAOYSA-N 440.496 3.853 0 40 IHAB COc1ccc(CNC(=O)c2ccc(CN3CCN(c4ccccc4OC)CC3)cc2)cc1 408862746 ISYYBUGQDMPQQY-UHFFFAOYSA-N 445.563 3.956 0 40 IHAB COc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccccc3Cl)[C@@H]2c2ccc(C)cc2)cc1 409062219 QDBYZKXYRLOGTK-LMOLPZMTSA-O 448.930 3.673 0 40 IHAB CC(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2c[nH]c3ccccc23)CC1 559086228 MCDMPCHXBHZZEF-GOSISDBHSA-N 441.601 3.702 0 40 IHAB O=C(NN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)c1cccc(Cl)c1 840504 ZICMLKHLNQERCF-UJKMTWAASA-N 428.875 3.877 0 40 IHAB COc1ccccc1NC(=O)CN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 843971 LHXARFWOFUBLHI-OVKIHRCZSA-N 438.483 3.526 0 40 IHAB Cc1cccc(NC(=O)c2ccc(NC(=O)Cc3nn(C)c(=O)c4ccccc34)cc2)c1 2922837 ZFTOPDDHXFBPSL-UHFFFAOYSA-N 426.476 3.675 0 40 IHAB COc1ccc2cc(CN(C[C@H]3CCCO3)C(=S)NCc3ccccc3)c(=O)[nH]c2c1 6282782 RPNDMRDCYAILOM-OAQYLSRUSA-N 437.565 3.592 0 40 IHAB O=C1Cc2cc(S(=O)(=O)Nc3ccccc3C(=O)Nc3ccc(Cl)cc3)ccc2N1 8778958 QQXMAYXNZDQBEB-UHFFFAOYSA-N 441.896 3.888 0 40 IHAB CCCS(=O)(=O)N1CCc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2C1 8840454 GPAPVGBSFPQJLU-UHFFFAOYSA-N 444.578 3.739 0 40 IHAB O=C(COc1ccc(-n2cnnn2)cc1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 8966080 BNOFSBGRIITTEN-FQEVSTJZSA-N 448.870 3.665 0 40 IHAB COc1ccc2cc([C@@]3(C)NC(=O)N(CC(=O)Nc4ccc5c(c4)CCC5)C3=O)ccc2c1 8966189 UIHSIQDWBBBYHT-AREMUKBSSA-N 443.503 3.743 0 40 IHAB COc1ccc(NC(=O)c2sc3nc(N4CCOCC4)c4c(c3c2N)CCCC4)cc1 9076120 HNTVKCUUPKFQFP-UHFFFAOYSA-N 438.553 3.855 0 40 IHAB Cc1nc2c(sc3nc4c(cc32)COC(C)(C)C4)c(=O)n1CC(=O)Nc1ccccc1 9111444 YJBJSPXCBBJTGF-UHFFFAOYSA-N 434.521 3.805 0 40 IHAB CCn1c(SCC(=O)Nc2cc(F)ccc2C)nnc1[C@@H](C)NC(=O)c1ccccc1 9305628 KOHOWIJLHXKVCE-OAHLLOKOSA-N 441.532 3.967 0 40 IHAB Cc1ccc(CNC(=O)CSc2nnc(NC(=O)CCc3ccccc3)s2)cc1 9329792 WFVPYFLFJBKKQV-UHFFFAOYSA-N 426.567 3.826 0 40 IHAB CC1(C)Cc2c(sc3c2c(=O)n(-c2ccccn2)c(=O)n3Cc2ccc(F)cc2)CO1 9344422 CFRSMLKCXYLCJE-UHFFFAOYSA-N 437.496 3.648 0 40 IHAB COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)CCCOc1ccc(C)cc1 9478754 CFWFNJHVLRUJHN-OAQYLSRUSA-N 441.524 3.860 0 40 IHAB CCCCN1C(=O)c2ccc(C(=O)Nc3nnc(SCc4ccccc4)[nH]3)cc2C1=O 9515292 PNHGWPFLMOHIGV-UHFFFAOYSA-N 435.509 3.745 0 40 IHAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CSc1nnc(-c3cccs3)o1)n2CCC 9604499 IPWXSXSFKFGDEK-UHFFFAOYSA-N 446.558 3.500 0 40 IHAB C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)NC(c2ccccc2)c2ccccc2)C1=O 9612829 CLXSVUPPCDAGEL-MHZLTWQESA-N 441.531 3.836 0 40 IHAB O=C(COc1ccc(Cl)c2cccnc12)Nc1cccc(S(=O)(=O)N2CCCC2)c1 9640135 JGTAUDJOTBCYAG-UHFFFAOYSA-N 445.928 3.690 0 40 IHAB CC(C)(C)c1ccc(-c2nnc(SCc3nc(N)nc(N)n3)n2Cc2ccccc2)cc1 9646330 DCGVDMVSHKZZKL-UHFFFAOYSA-N 446.584 3.933 0 40 IHAB CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)N[C@@H]2CCCc3ccccc32)c1 9752314 YNLIIWDLSRTBCL-JOCHJYFZSA-N 441.597 3.735 0 40 IHAB O=C(CSc1nnnn1-c1ccccc1)N1CCC[C@@H](c2nc3ccccc3s2)C1 9788822 ZUXBXYBXGZZDDJ-OAHLLOKOSA-N 436.566 3.770 0 40 IHAB O=c1c(Cl)c(N2CCN(Cc3ncc(-c4ccccc4)o3)CC2)cnn1-c1ccccc1 9796304 JMIYTCHPYFDQRA-UHFFFAOYSA-N 447.926 3.863 0 40 IHAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)c1C 9955340 CTQZIYPNSODTJS-UHFFFAOYSA-N 444.443 3.674 0 40 IHAB CCOc1ccccc1CCCNC(=O)[C@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 10110987 AVHYFALLEIPYMS-IBGZPJMESA-N 432.586 3.606 0 40 IHAB COc1ccc(OCCNC(=O)c2sc3nc(Cc4ccccc4)[nH]c(=O)c3c2C)cc1 10292195 SGRNKOCRAHZUNK-UHFFFAOYSA-N 449.532 3.701 0 40 IHAB COc1ccc(N([C@@H](C)C(=O)N[C@@H](C)CCc2ccccc2)S(C)(=O)=O)cc1Cl 10328747 IARZHWAVSVYDOV-HOTGVXAUSA-N 438.977 3.641 0 40 IHAB Cc1ccc(-c2nc(SCC(=O)NC(C)C)c(S(=O)(=O)c3ccccc3)[nH]2)cc1 11695912 XSKLPBSAFZTCFJ-UHFFFAOYSA-N 429.567 3.835 0 40 IHAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NC[C@H](C)NC(=O)[C@@H](CC)Oc1ccc(C)cc1 12137359 WWIGNBPJZHTHOD-WWPVKYPJSA-N 426.557 3.939 0 40 IHAB 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CC(=O)OC[C@]1(C)[C@@H](OC(C)=O)CC[C@@]2(C)[C@H]1CC[C@@H](C)[C@]21CC[C@@]2(COC(=O)C2)O1 15414917 JZNGEGWFNPRYBH-NOGRRMBPSA-N 436.545 3.569 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCC(C)(C)N3CCCCC3)c2)cc1F 15624432 KNYQGAYZOPOIJE-UHFFFAOYSA-N 447.576 3.929 0 40 IHAB Cc1cc(C(=O)CSc2nccn2Cc2ccccc2)c(C)n1[C@H]1CCS(=O)(=O)C1 16677918 PWPZJGDXPKQFHM-IBGZPJMESA-N 443.594 3.684 0 40 IHAB CC(C)(C)c1ccc(C(=O)[C@@H]([C@H](c2ccccc2)N2CCOCC2)N2CCOCC2)cc1 19365027 LLWAEHIULOYSDC-LOSJGSFVSA-N 436.596 3.941 0 40 IHAB O=C1CCCC[C@]2(CN(C(=O)[C@H]3Cc4cc(Cl)ccc4O3)C[C@H]2c2ccccc2F)N1 19368200 QBSOZRFELDIFII-SNYIIPAISA-N 442.918 3.838 0 40 IHAB CC(C)n1cc(C(=O)N2CCC(c3cc(C(=O)NCc4ccc(F)cc4)on3)CC2)cn1 19454863 IHHHKVKINXKNAG-UHFFFAOYSA-N 439.491 3.541 0 40 IHAB Cn1ccnc1C(=O)N1CCO[C@H](c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)C1 19687774 QZPLREDMOYSAKY-IBGZPJMESA-N 430.430 3.638 0 40 IHAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C)cc2C)cc1C(=O)N1CCCCC1 20036603 NLNWSTYCBXFQKX-GOSISDBHSA-N 430.570 3.978 0 40 IHAB CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1 20041589 MHBFATRJVCJPML-MRXNPFEDSA-N 440.525 3.554 0 40 IHAB O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)Nc1cccnc1 20233832 BBOJYWUNSCGOMX-UHFFFAOYSA-N 446.326 3.678 0 40 IHAB CCc1ccc(CN(C(=O)c2cc(-c3cccs3)on2)[C@@H]2CCS(=O)(=O)C2)cc1 21524163 FEQKZIOQISBBQL-QGZVFWFLSA-N 430.551 3.795 0 40 IHAB CCCCN(C(=O)CSc1nc2cc(S(N)(=O)=O)ccc2n1CCC)[C@H](C)CC 23044108 FRRMMODZLPECGY-OAHLLOKOSA-N 440.635 3.613 0 40 IHAB CCOC(=O)Cc1csc(SCC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)n1 23223055 AOZCGMANRNRERE-OAHLLOKOSA-N 445.522 3.905 0 40 IHAB COc1cn(-c2ccccc2)nc1C(=O)N1CCN(Cc2cccc3ccccc23)CC1 23956752 XPZOXAKCQHNLPD-UHFFFAOYSA-N 426.520 3.992 0 40 IHAB CCCCc1noc([C@@H](C)Sc2nnc3n(CCCOC)c(=O)c4ccccc4n23)n1 24837697 CAAOMVHCDGKVSX-CQSZACIVSA-N 442.545 3.660 0 40 IHAB O=C(c1cc(S(=O)(=O)Nc2cccc(OCc3ccc(F)cc3)c2)c[nH]1)N1CCCC1 26543973 UCQXAEFQXUMCNV-UHFFFAOYSA-N 443.500 3.770 0 40 IHAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)Oc1ccc2cc(Br)ccc2c1 27148335 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Cc1nn(C)c2nc(C3CC3)cc(C(=O)NCCCn3nc4c(c3C(F)(F)F)CCC4)c12 36614272 KLDCPTLAYJNRLI-UHFFFAOYSA-N 446.477 3.678 0 40 IHAB CS(=O)(=O)Cc1ccc(C(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)cc1 40145784 RRYBVHPXLSAMCM-UHFFFAOYSA-N 439.489 3.791 0 40 IHAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Sc3ccccc3)cc2)n1 44947962 JTENCTAFJAFATH-OAHLLOKOSA-N 428.539 3.705 0 40 IHAB CC(C)CC(=O)N1CCN(c2ccc(NC(=S)NC(=O)/C=C/c3ccco3)cc2)CC1 57316498 HFPWMUCQZOQRSO-MDZDMXLPSA-N 440.569 3.501 0 40 IHAB COC(=O)c1ccc(C)c(NC(=O)CN[C@H](C)c2ccc(OC)c(Br)c2)c1 57335794 IKPIKBCGMCIPBH-CYBMUJFWSA-N 435.318 3.842 0 40 IHAB Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)N(C)C3CCCCC3)c2=O)c(C)c1 57492996 NXINANJNANSVCK-UHFFFAOYSA-N 425.554 3.622 0 40 IHAB CCOc1cc(/C=C/c2nc3cc(C(=O)OC)ccc3c(=O)[nH]2)cc(Br)c1O 58129370 SXERYEUAVLLQOP-QPJJXVBHSA-N 445.269 3.747 0 40 IHAB CC(C)(C)OC(=O)NCCCOC(=O)Cc1csc(NC(=O)c2ccccc2F)n1 65538940 ZZOVQIUHZKARHU-UHFFFAOYSA-N 437.493 3.535 0 40 IHAB O=C(NC[C@@H]([C@H]1CCOC1)N1CCCC1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 69923002 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438.977 3.642 0 40 IHAB COc1ccc(CNC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)c(OC)c1 224494283 TYRQOEIGXGSLBZ-UHFFFAOYSA-N 446.550 3.520 0 40 IHAB CC[C@H](C(=O)NCCSC1CCCC1)N(c1cc(Cl)ccc1C)S(C)(=O)=O 224707843 FVFGDQPFAIBKQX-QGZVFWFLSA-N 433.039 3.985 0 40 IHAB CCOC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(Br)c1 224873830 KQLZMBLVNSBTQF-UHFFFAOYSA-N 442.331 3.525 0 40 IHAB CCc1ccc([C@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3cccc(C)c3)CC2)cc1 225112163 SYIQNAMYRBUPJR-IBGZPJMESA-N 428.598 3.977 0 40 IHAB CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)COc1cc(OC)cc(OC)c1 225155011 NKEIANJZONEGLW-QHCPKHFHSA-N 442.556 3.725 0 40 IHAB CCc1ccc(CC)c(CNC(=O)[C@H](C)N(c2cc(C)ccc2OC)S(C)(=O)=O)c1 225275710 FWKIXOHGUWKDGH-KRWDZBQOSA-N 432.586 3.599 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cccc4ccccc34)CC2)cc1 226074730 WKHYKWRAMUZQSI-UHFFFAOYSA-N 438.549 3.566 0 40 IHAB O=S(=O)(NC[C@](O)(c1ccsc1)c1cccs1)c1ccccc1Br 245187647 ZSAQOQIPLNRLEW-INIZCTEOSA-N 444.397 3.787 0 40 IHAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCC2(CC1)CO[C@@H]1c3ccccc3OC(C)(C)[C@H]1C2 257218853 DEPJSRVXHSDIQZ-AZUAARDMSA-N 445.585 3.746 0 40 IHAB CCCNC(=O)CCc1c(C)nc2cc([C@@H]3CCCN3C(=O)C3CCCC3)nn2c1C 257317052 VIDWMQKMNJVIAV-NRFANRHFSA-N 425.577 3.659 0 40 IHAB CS(=O)(=O)c1cn[nH]c1C[C@@H]1CCCN(C(=O)c2ccccc2Nc2ccccc2)C1 257317098 VIKNRUQMTITHQY-KRWDZBQOSA-N 438.553 3.652 0 40 IHAB CCC[C@H](C)NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(OC)c(C)c1 408534418 SHJSZKZHQAZZCT-IBGZPJMESA-N 432.586 3.542 0 40 IHAB CCc1cccc2c(C3CCN(C(=O)N[C@H]4C[C@@H](C)N(c5cnn(C)c5)C4=O)CC3)c[nH]c12 608735646 YLZMCUVHDHGTQD-ZHRRBRCNSA-N 448.571 3.547 0 40 IHAB CN(Cc1ccccc1)C(=O)N1CCN(C(=O)c2ccc(Br)cc2F)CC1 614276085 HJSSOJAIMULKLN-UHFFFAOYSA-N 434.309 3.598 0 40 IHAB Cc1ccc2c(c1)Cc1cccc(c1)CN(C(=O)CCc1cn(C)nc1C)CCOCCO2 643550981 OTFSQISYYISJOG-UHFFFAOYSA-N 447.579 3.998 0 40 IHAB NC(=O)[C@H]1CCCN(c2ccc(C(=O)N3CCC(c4cc5ccccc5[nH]4)CC3)cc2)C1 1115910024 NLSHEVLQGUDYPS-NRFANRHFSA-N 430.552 3.889 0 40 IHAB CC1CCC(C(=O)N[C@H](CCCCCCCCCN)C(=O)NC[C@H]2CCCCN2)CC1 1505840643 KRTXFNZZPYQKII-BWWMBTDCSA-N 436.685 3.635 0 40 IHAB Cn1ccc2cc(C(=O)N3CCCn4ncc(C(=O)Nc5cccc(F)c5)c4C3)ccc21 1565556260 AFYKFVTUJKIUDI-UHFFFAOYSA-N 431.471 3.812 0 40 IHAB Cc1cccc(C(=O)N2CCN3CC(=O)Nc4cc(-c5ccccc5)ccc4OC[C@@H]3C2)c1 1772594528 JIEPJGFADVFRDI-QHCPKHFHSA-N 441.531 3.820 0 40 IHAB CCn1cnc2c(N3CCN(c4nc5ccc(Br)cc5s4)CC3)ncnc21 1888944015 YOXMZZRSXIRMRB-UHFFFAOYSA-N 444.362 3.545 0 40 IHAB COc1ccc(N(CC(=O)NCc2ccccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 832074 BRVGCBBEULFFPX-UHFFFAOYSA-N 438.549 3.824 0 40 IHAB O=C(O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 2646182 YOZOZANENKPWEP-INIZCTEOSA-N 446.834 3.814 0 40 IHAB in-vitro COc1ccc(-c2nc(NC(=O)c3ccc(=O)n(Cc4ccccc4)n3)sc2C)cc1 3322237 PFDGKDSMBPQFQS-UHFFFAOYSA-N 432.505 3.984 0 40 IHAB CC(=O)c1ccc(NC(=O)[C@@H](C)N(C)CC(=O)Nc2ccccc2Br)cc1 3324717 UEZDJAHHKKHPNC-CYBMUJFWSA-N 432.318 3.549 0 40 IHAB COc1ccc(C(=O)CSc2nc3sc4c(c3c(=O)n2C)CCCC4)c(OC)c1 3521976 LONKLTMBBALHNR-UHFFFAOYSA-N 430.551 3.866 0 40 IHAB CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1nn(C)c(=O)c2ccccc12 3547543 JVTSWVOMOXEPKU-UHFFFAOYSA-N 447.322 3.731 0 40 IHAB CCOC(=O)NC(Nc1sc2c(c1C(N)=O)CCCC2)(C(F)(F)F)C(F)(F)F 4208176 SYZCEWACJKQCME-UHFFFAOYSA-N 433.374 3.705 0 40 IHAB COc1ccc(-c2nnn(C3CCN(C(=S)Nc4ccccc4C)CC3)n2)cc1OC 8694573 CGUWXVNNJYEFPU-UHFFFAOYSA-N 438.557 3.700 0 40 IHAB Cc1c(C)c2c(OCC(=O)NCC(C)(C)CN(C)C)cc3c(c2oc1=O)CCC(C)(C)O3 8765395 UKTCQQWQTLOMPA-UHFFFAOYSA-N 444.572 3.596 0 40 IHAB biogenic Cc1ccccc1OCc1nnc(SCC(=O)NC[C@H]2CCCO2)n1-c1ccccc1 9119295 WNBXBGADQDWCNL-LJQANCHMSA-N 438.553 3.542 0 40 IHAB O=C(C[C@]1(O)C(=O)N(CN2CCCCC2)c2ccccc21)c1ccc(Br)s1 9128662 RRIDXRXZUNFBFX-HXUWFJFHSA-N 449.370 3.761 0 40 IHAB Cc1c(C)c2ccc(OCC(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2oc1=O 9252924 OTMVSRJRIBSOGC-UHFFFAOYSA-N 426.900 3.791 0 40 IHAB CCc1cccc(OCC(=O)Nc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)c1 9352304 UBSLCECWUGAXQU-UHFFFAOYSA-N 431.539 3.762 0 40 IHAB CN(C(=O)CSc1nnc2ccccn12)[C@@]1(c2ccccc2Cl)CCCCC1=O 9512928 BCBILXHVJUSATL-OAQYLSRUSA-N 428.945 3.972 0 40 IHAB COc1ccc(N2C[C@@H](NC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2=O)cc1OC 9568840 WDVGDMDKGKHXNR-ZDUSSCGKSA-N 439.390 3.529 0 40 IHAB O=C(NC1CC1)[C@H](Sc1nnnn1-c1ccc(OC(F)(F)F)cc1)c1ccccc1 9644661 ZBFCCXBAQZTFFN-MRXNPFEDSA-N 435.431 3.673 0 40 IHAB COCCn1c(SCc2cc(=O)n3c(C)csc3n2)nnc1-c1ccc(Cl)cc1 9669888 JZLFDJSDZJRDQW-UHFFFAOYSA-N 447.973 3.915 0 40 IHAB CCCCCn1nc(C(=O)Nc2ccccc2N2CCN(CC)CC2)c2ccccc2c1=O 9672496 CSLHLLIRMQQDSM-UHFFFAOYSA-N 447.583 3.981 0 40 IHAB COc1cccc(CN(C)C(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)c1 9783149 DVCDVBHSBUKNPQ-UHFFFAOYSA-N 425.535 3.854 0 40 IHAB Cc1cc(C)n2nc(SCC(=O)N3CCC[C@@H](c4nc5ccccc5s4)C3)nc2n1 9789139 LQOQOZVHJOLMSG-OAHLLOKOSA-N 438.582 3.849 0 40 IHAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)Oc1ccc2cc(Br)ccc2c1 9791569 XODDXLYQYMQFEO-UHFFFAOYSA-N 431.286 3.762 0 40 IHAB O=C(CCCN1C(=O)NC2(CCCC2)C1=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 9951149 PGGQIYZGQKESHS-MRXNPFEDSA-N 440.569 3.647 0 40 IHAB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NCCCc2ccccc2)cc1 10024733 BKRMBSSJLNXXKR-UHFFFAOYSA-N 438.549 3.883 0 40 IHAB Cc1ccc(S(=O)(=O)NCc2ccccc2)c(C)c1N(C)S(=O)(=O)c1ccccc1 10383282 PMYBYZLLSCQHCJ-UHFFFAOYSA-N 444.578 3.607 0 40 IHAB CCOC(=O)c1sc2nc([C@H](C)Sc3nncn3-c3ccccc3)[nH]c(=O)c2c1C 11427746 UFLBTMGNGXEFHE-LBPRGKRZSA-N 441.538 3.904 0 40 IHAB COc1cc(C(=O)NCCc2nnc3ccccn23)ccc1OCc1ccccc1Cl 11546156 VCDCRYWUAFWXPR-UHFFFAOYSA-N 436.899 3.943 0 40 IHAB Cc1nc(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)sc1-c1nccn1C 12576466 GHZXWKIRNTWMOX-UHFFFAOYSA-N 434.525 3.541 0 40 IHAB Cc1nc(COc2ccccc2C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cs1 12774100 ZQGNHDKXZOSVGR-CQSZACIVSA-N 430.551 3.925 0 40 IHAB C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)N[C@@H](c2ccccc2)c2cccs2)C1=O 12785890 SJNOFRGPJPHHLT-WIOPSUGQSA-N 447.560 3.897 0 40 IHAB C[C@H](NC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2C)c1ccc(Cl)cc1Cl 12891033 VKQXRROIIMVFEN-LAJNKCICSA-N 432.307 3.780 0 40 IHAB Cc1noc(-c2ccc(C(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc3C)cc2)n1 12911976 PKIDQSKOXRRSFF-UHFFFAOYSA-N 440.525 3.780 0 40 IHAB C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)c1ccc(F)c(F)c1 12920269 IBZCYWYBSKWIOZ-HNNXBMFYSA-N 448.535 3.732 0 40 IHAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O 13113400 JPFCXYKTIZDQKH-XCLFUZPHSA-N 441.450 3.933 0 40 IHAB Cc1cnc(C(=O)N2CCC(c3nc4ccccc4cc3C(=O)N3CCCC3)CC2)cn1 13227781 CSXCHFWVFWAXCG-UHFFFAOYSA-N 429.524 3.589 0 40 IHAB CC[C@@H](C(=O)NCCSCc1ccccc1C)N(c1ccc(F)cc1)S(C)(=O)=O 13715575 FSXPXXRQGBXMID-FQEVSTJZSA-N 438.590 3.728 0 40 IHAB COc1cc(OC)c(OC)cc1/C=C1\SC(=O)N(CC(=O)Nc2ccc(C)cc2)C1=O 13942623 GRZSMUOAWZPIBM-GRSHGNNSSA-N 442.493 3.696 0 40 IHAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1Cc1ccccc1 14817494 DBSRKWKRFPOHLO-UHFFFAOYSA-N 436.533 3.551 0 40 IHAB Cc1nc(COc2ccc(C(=O)OCC(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)cc2)no1 14897580 IMYZVSQQXRZPPE-INIZCTEOSA-N 449.507 3.870 0 40 IHAB COc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c(OC)cc1Cl 15474989 LONQHWVXVZRHSG-UHFFFAOYSA-N 438.933 3.784 0 40 IHAB CC[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1ccc(OC)cc1 15613192 KHOBUJRWFCDTAM-UTKZUKDTSA-N 434.533 3.503 0 40 IHAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)O[C@@H](C)C(=O)Nc1ccc(SC(F)F)cc1 16716557 IPECZFKICOZUEI-LRDDRELGSA-N 440.468 3.919 0 40 IHAB O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)OCc1cc(-c2ccco2)on1 18226118 GYNVFSPYHQTCOK-UHFFFAOYSA-N 444.509 3.785 0 40 IHAB COc1ccc(CC(=O)N[C@H](c2cc(O)n3nc(-c4cccnc4)cc3n2)C(C)C)cc1 19445491 SAUVYTSRSGIAJM-DEOSSOPVSA-N 431.496 3.562 0 40 IHAB CC(C)c1cc(C(=O)N2CCNC(=O)[C@H](Cc3ccc(-c4ccccc4F)cc3)C2)[nH]n1 19451865 QRKJQIKIGBYBPI-LJQANCHMSA-N 434.515 3.770 0 40 IHAB Cc1nc([C@@H]2CCCCN2Cc2ccncc2)nc2c1CCC(=O)N2Cc1ccccn1 19695790 JREFQPDGJBAWGU-QFIPXVFZSA-N 428.540 3.782 0 40 IHAB Cc1ccc(S(=O)(=O)N2CC[C@@H](c3c(C(=O)N(C)C)sc4ncccc34)C2)cc1C 19702549 LNCGVRBTMRQJRN-MRXNPFEDSA-N 443.594 3.793 0 40 IHAB COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(Cl)cc3)N3CCOCC3)no2)cc1 19796735 ZORRFQXUKDRSPE-NRFANRHFSA-N 441.915 3.807 0 40 IHAB CSc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2C)cc1 20021841 ZLAXIMRXCYEIAH-QGZVFWFLSA-N 448.610 3.758 0 40 IHAB CC(C)(C)NC(=O)CN1CCCN(C(=O)Cn2c(-c3ccccc3)cc3ccccc32)CC1 21410383 BORZICZTOKSZBH-UHFFFAOYSA-N 446.595 3.757 0 40 IHAB O=C(CN1CCN(c2ccc(O)cc2)CC1)Nc1ncc(Cc2cccc(Cl)c2)s1 22240676 JWILFELCOQSUML-UHFFFAOYSA-N 442.972 3.854 0 40 IHAB CCc1nc2sc([C@@H](c3cccc(C(F)(F)F)c3)N3CCN(CC)CC3)c(O)n2n1 22854469 QNNNOGWZFLRRHY-MRXNPFEDSA-N 439.507 3.805 0 40 IHAB CCOc1ccccc1NC(=O)Cc1cc(=O)[nH]c(SCc2cccc(OC)c2)n1 23138175 MNHSYSAQYWCNJQ-UHFFFAOYSA-N 425.510 3.651 0 40 IHAB Cc1cc(S(=O)(=O)N(C)C)cc(NS(=O)(=O)c2cc(Cl)sc2Cl)c1C 23199885 SVLBCUHDGJUQEV-UHFFFAOYSA-N 443.399 3.723 0 40 IHAB COc1ccc2c(c1)CCCN2C(=O)CCc1c(C)nc2nc(C(F)(F)F)nn2c1C 24876402 SRYASZAAVLXBBT-UHFFFAOYSA-N 433.434 3.681 0 40 IHAB COC(=O)c1occc1COC(=O)C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O 24895524 GHSWFXHWBXFGBU-ZDUSSCGKSA-N 429.372 3.631 0 40 IHAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NC[C@@H](c2ccsc2)N(C)C)cc1 25330560 NWCLYPKKZDVATL-QFIPXVFZSA-N 432.549 3.788 0 40 IHAB C[C@@](Cc1nc2ccccc2s1)(C(=O)N1CCN(c2cnccn2)CC1)c1ccccc1 25835688 SNDCARWFGPDMQP-VWLOTQADSA-N 443.576 3.936 0 40 IHAB Cc1ccc(C2=C(NC(=O)c3ccc(Cl)cc3)SC3=NC(=O)C(C)(C)NN32)cc1 26963912 XAIARTOEWGBOPY-UHFFFAOYSA-N 426.929 3.933 0 40 IHAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 28209529 DTSISHAVWMDJLV-MRXNPFEDSA-N 427.309 3.620 0 40 IHAB Cc1ccc2[nH]cc([C@H](C(=O)O)N3CCN(CCOc4ccc(Cl)cc4)CC3)c2c1 32093236 UGRIRRHXHGXIQW-JOCHJYFZSA-N 427.932 3.952 0 40 IHAB COC(=O)c1ccccc1S(=O)(=O)Nc1ccccc1C(=O)Nc1ccccc1OC 33048040 MFEDMZCOGFLRHY-UHFFFAOYSA-N 440.477 3.535 0 40 IHAB COc1cc(OC)cc(C(=O)N2CCC(C(=O)N3CCC[C@H]3c3ccsc3)CC2)c1 40110519 XXLBMYXAYPMRJA-NRFANRHFSA-N 428.554 3.981 0 40 IHAB CC[C@H](Oc1ccccc1)C(=O)Nc1cccc(OCc2cc(=O)n3oc(C)cc3n2)c1 41076598 FRPDKUPVORDTAZ-NRFANRHFSA-N 433.464 3.971 0 40 IHAB CC[C@@H](NC(=O)[C@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1)c1ccc(C)cc1 44936003 CPDODKYCBWKWJJ-YLJYHZDGSA-N 436.961 3.833 0 40 IHAB CCOc1ccccc1NC(=O)Cn1cccc(-c2nc(-c3ccc(F)cc3)no2)c1=O 49002417 QVFLGPHSWJMPSD-UHFFFAOYSA-N 434.427 3.742 0 40 IHAB CCc1cccc(NC(=O)Cn2c(=O)n(-c3cc(C)cc(C)c3)c(=O)c3ccccc32)c1 51316135 QCHGMYQWIBRVEK-UHFFFAOYSA-N 427.504 3.970 0 40 IHAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccc(Br)cc1C 59741284 ULCJHHZBVQBLRH-UHFFFAOYSA-N 433.302 3.630 0 40 IHAB Cc1c(C(=O)NC2CCCCC2)nnn1-c1cccc2c1CCN(C(=O)NC(C)(C)C)C2 69848291 HEHFHZMRAGTTRF-UHFFFAOYSA-N 438.576 3.504 0 40 IHAB CSc1ccc([C@H]2NC(=O)N(CC(=O)Nc3cc(C)ccc3C)C3=C2C(=O)OC3)cc1 71326859 YRPMTGSDSMXHJK-OAQYLSRUSA-N 437.521 3.541 0 40 IHAB COCCOc1ccc(NC(=O)C(=O)N[C@@H](c2ccccc2)c2ccc(OC)cc2)cc1 72283146 ZBYKZTJXADJGIY-QHCPKHFHSA-N 434.492 3.565 0 40 IHAB COc1ccc(NC2=NC(=O)S/C2=C\c2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)cc1 72401394 UKFIQJZYCMSLID-PACYTGELSA-N 446.554 3.586 0 40 IHAB CCN(CC)CCN(CCC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 79053851 VYEMIOVEYPWUKS-GOSISDBHSA-N 445.501 3.801 0 40 IHAB CCOc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1OC 89267873 LRCKVCWYQWSXGR-UHFFFAOYSA-N 432.542 3.829 0 40 IHAB O=S(=O)(c1ccc(Br)c(Cl)c1)N(C[C@@H](O)c1ccccc1)C1CC1 95461978 YTGICVPUACHPEU-QGZVFWFLSA-N 430.751 3.989 0 40 IHAB Nc1ncnc2sc3c(c12)CCN(Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)C3 95977260 PNQQHXIQEIKABI-UHFFFAOYSA-N 432.431 3.901 0 40 IHAB COc1ccccc1N(C(C)=O)c1nc(COC(=O)[C@H](C2CC2)N2CCCC2)cs1 97164514 OSGIWAMPLYUWSG-FQEVSTJZSA-N 429.542 3.754 0 40 IHAB C[C@H]1C[C@@H](C)CN([C@H](C)C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)C1 102253928 DKTDSSVMVIQESN-IXDOHACOSA-N 442.025 3.820 0 40 IHAB O=C([C@H](Sc1ccccc1)c1ccccc1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 102421479 IJIQSPAJJGAWKG-JAXLGGSGSA-N 445.606 3.715 0 40 IHAB CCSc1ccccc1NC(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 216460605 AWDZPXKTBSMBFY-UHFFFAOYSA-N 436.555 3.712 0 40 IHAB Cc1cccc(N([C@H](C)C(=O)Nc2ccc(Br)cc2F)S(C)(=O)=O)c1 220134826 FJOLCTNDTWIRTR-GFCCVEGCSA-N 429.311 3.690 0 40 IHAB CC[C@H](C(=O)NCCc1ccc(OC)cc1)N(c1cc(Cl)ccc1C)S(C)(=O)=O 220712615 XUMQHWWHWNCRIK-LJQANCHMSA-N 438.977 3.561 0 40 IHAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(OC)cc1 222499574 YVSDUCHMLSSXHM-MBSDFSHPSA-N 442.556 3.805 0 40 IHAB O=C(NCCCO)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 223489597 OAUUPESIHJMCGI-VWLOTQADSA-N 434.511 3.637 0 40 IHAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2Cc2ccccn2)N1Cc1ccccn1 223550787 HJMOBPYMTUZQGC-XZOQPEGZSA-N 426.549 3.894 0 40 IHAB CS(=O)(=O)N(Cc1ccc(C(=O)NCCOCc2ccccc2)cc1)c1ccccc1 223797121 CSWRGHKYMJJZFD-UHFFFAOYSA-N 438.549 3.599 0 40 IHAB Cc1cc(C)cc(N([C@@H](C)C(=O)NCCOc2ccc(C)c(Cl)c2)S(C)(=O)=O)c1 224138450 JOKWOKFAQLKBMH-KRWDZBQOSA-N 438.977 3.615 0 40 IHAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NC[C@@H](C)c2ccccc2)cc1OC 225139462 MTSFIWNIZKFRQV-VKZJTJHYSA-N 434.492 3.988 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)Cc2cccc(Br)c2)cc1 225616379 KMUHAMFEGCJGQV-UHFFFAOYSA-N 425.348 3.661 0 40 IHAB COc1ccc(CN(C(=O)CCc2ccc(OC)c(OC)c2)[C@H](C)C(=O)NC(C)C)cc1 225678672 XMOREWXCCQDDJK-GOSISDBHSA-N 442.556 3.587 0 40 IHAB COc1cccc(-c2noc(CCC(=O)N3CCN(c4cc(Cl)ccc4C)CC3)n2)c1 225824748 QKCUPHUATLRYCV-UHFFFAOYSA-N 440.931 3.988 0 40 IHAB C[C@H](NC(=S)Nc1nc(N2CCOCC2)cc(N2CCCC[C@@H]2C)n1)c1ccccc1 225959823 SOBSGYJXLDWPBD-ROUUACIJSA-N 440.617 3.740 0 40 IHAB CC(C)CC(=O)NC(=S)Nc1c(Br)cc(C(=O)O)cc1Br 226354705 LKMYVRPPTVKYFN-UHFFFAOYSA-N 438.141 3.769 0 40 IHAB O=C(c1cccc(Oc2ncccn2)c1)N1CCC[C@@H](Cc2cn3ccnc3cn2)CC1 257217258 CYFKUFSWXJYBII-GOSISDBHSA-N 428.496 3.797 0 40 IHAB O=C(c1cccc(Cn2ccnc2)c1)N1CCC[C@@H]1c1nc(Cc2ccc(F)cc2)n[nH]1 257252864 JWKKEGYPLDKELV-OAQYLSRUSA-N 430.487 3.757 0 40 IHAB Cc1nn([C@H](C)CC(=O)N2CCNC(=O)[C@@H]2Cc2ccc(-c3ccccc3)cc2)c(C)c1C 257267270 MGOXZFBGCHACJU-CJAUYULYSA-N 444.579 3.996 0 40 IHAB COc1cccc(C(=O)N2CCNC(=O)[C@@H]2Cc2cccc(-c3cccc(F)c3)c2)c1OC 257295808 QZYUNJDXLZOYSH-QFIPXVFZSA-N 448.494 3.693 0 40 IHAB Cc1cc(C)n(-c2ccc(N3CCN(Cc4csc(-c5ccccc5)n4)CC3)nn2)n1 301070349 KUAWUQZADDDBFS-UHFFFAOYSA-N 431.569 3.725 0 40 IHAB O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N1CCCC1 409006206 YYYNHBUPAQOUEG-UHFFFAOYSA-N 427.353 3.807 0 40 IHAB COc1cc(C(=S)N2C[C@H](C)O[C@@H](C)C2)ccc1OCC(=O)Nc1cccc(C)c1 409249972 KMBWYWXJLPWNQZ-IRXDYDNUSA-N 428.554 3.806 0 40 IHAB CCCCCNC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 409261278 CFGLIAAHHCDVFI-UHFFFAOYSA-N 439.375 3.951 0 40 IHAB O=C(Nc1cccc(-c2cn(Cc3ccccc3)nn2)c1)N[C@@H]1CCN(c2ccccn2)C1 510870534 WSXZTVCTVRWESX-JOCHJYFZSA-N 439.523 3.789 0 40 IHAB COc1ccc2c(=O)c(C(=O)N3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@@H]56)[C@H]43)cn(C)c2c1 604405042 UUMMXSSKTYBNHN-OFHUJUHISA-N 447.579 3.582 0 40 IHAB biogenic COCc1nn2c(c1-c1ccc(Cl)cc1)NN=C(S(C)(=O)=O)[C@@H]2c1ccccc1 618256320 HROHFDGQUFSVKW-SFHVURJKSA-N 430.917 3.723 0 40 IHAB CC(C)N1C(=O)C[C@@H](C(=O)Nc2ccc(F)c(C(N)=O)c2)[C@@H]1c1ccc(Cl)c(F)c1 678943939 FWDLNFUSLSZVSW-KUHUBIRLSA-N 435.858 3.654 0 40 IHAB COC(=O)[C@H](Cc1ccccc1Br)NC(=O)c1ccnc(-c2ccco2)c1 1158200688 FHHAUDBUOXFWAI-KRWDZBQOSA-N 429.270 3.618 0 40 IHAB CC[C@H](Cc1ccccc1Br)NC(=O)c1cnc(C2(C)OCCO2)s1 1566375139 FPMZZCQZIVANEL-CYBMUJFWSA-N 425.348 3.876 0 40 IHAB CC(=O)Nc1ccc(NC(=S)N[C@@H](NC(=O)c2ccco2)C(Cl)(Cl)Cl)cc1 836677 DRCZNVQJVYSUGH-CQSZACIVSA-N 449.747 3.651 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)CSc1nnc(COc2ccc(C)cc2)n1C 916541 WBIIUUVWBHHAGU-UHFFFAOYSA-N 440.525 3.610 0 40 IHAB COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)cc1 1003927 UDLKVGRUBACPOV-UHFFFAOYSA-N 426.494 3.538 0 40 IHAB COc1cc(/C=C2/N=C(c3ccc(Br)cc3)OC2=O)cc(OC)c1OC(C)=O 2308367 CFWMQJMQYBHVTR-OVCLIPMQSA-N 446.253 3.736 0 40 IHAB O=C(COC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)c1ccc(Cl)cc1 3620298 UKHKVEJCTPXFLC-UHFFFAOYSA-N 440.860 3.757 0 40 IHAB CCOc1ccc(Br)cc1[C@H]1C(C(=O)OC)=C(N)Oc2cc(N(C)C)ccc21 3628344 IOPHSCFJTQNVKJ-SFHVURJKSA-N 447.329 3.781 0 40 IHAB C[C@@H](Oc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 4081977 VQJMILKSUUHGTB-YPBQGGFRSA-N 425.525 3.593 0 40 IHAB CCN(CC)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1cccc(OC)c1OC 4292054 XOEDFNHWLWTHFV-OAQYLSRUSA-N 425.529 3.732 0 40 IHAB CCCCNC(=O)[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(C)C 4309901 GMWHGPICDUMMGM-OAQYLSRUSA-N 425.529 3.618 0 40 IHAB COc1ccccc1NC(=O)CSc1nnc(-c2ccoc2C)n1C[C@H]1CCCO1 8673139 JVVSTOKDTWKSPU-OAHLLOKOSA-N 428.514 3.765 0 40 IHAB O=C(CSc1nnc(-c2ccc(Br)cc2)o1)Nc1ccc2c(c1)OCO2 8759021 QWZJGNZBZXMRKC-UHFFFAOYSA-N 434.271 3.959 0 40 IHAB CC(=O)N1CCN(c2ccc(NC(=S)NC(=O)/C=C/c3ccccc3)cc2Cl)CC1 8831690 XKGKSUJOLCVUMO-JXMROGBWSA-N 442.972 3.535 0 40 IHAB Cc1nnc2sc(-c3ccccc3NC(=S)NC(=O)Cc3ccc(Cl)cc3)nn12 9064571 LUHURKYGGRSNKM-UHFFFAOYSA-N 442.957 3.870 0 40 IHAB Cc1ccc2oc(C(=O)Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)cc(=O)c2c1 9194417 DIZYGTHSTKIRDY-UHFFFAOYSA-N 440.521 3.774 0 40 IHAB C[C@@H](OC(=O)c1ccc(CN2CCCC2=O)cc1)C(=O)c1ccc(Br)cc1 9245640 GPGKHGWOQMUYJD-CQSZACIVSA-N 430.298 4.000 0 40 IHAB Cc1ccc(S(=O)(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)C[C@@H]2CCCO2)cc1 9487231 VSQLJGCEYQPPSN-FQEVSTJZSA-N 426.538 3.515 0 40 IHAB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1 9493636 XMDUSFUJKUYEHR-UHFFFAOYSA-N 436.493 3.649 0 40 IHAB CCCCOc1ccc(C(=O)NCC(=O)OCC(=O)c2ccc(OC(F)F)cc2)cc1 9539959 UYXNHAOMLKFLNE-UHFFFAOYSA-N 435.423 3.623 0 40 IHAB CCN(CC)C(=S)SCC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 9582970 VNUXEYADYWFNHE-UHFFFAOYSA-N 445.566 3.966 0 40 IHAB COc1cccc(-c2nc(CC(=O)Nc3ccccc3C(=O)NC3CC3)cs2)c1OC 9591282 HTISRKCHLPYSQX-UHFFFAOYSA-N 437.521 3.901 0 40 IHAB C[C@@H](OC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)C12CC3CC(CC(C3)C1)C2 9635203 QTVNURYZBFZAHL-NXTQRVMMSA-N 445.581 3.802 0 40 IHAB O=C(OCc1nc(-c2ccccc2Cl)no1)c1ccc(S(=O)(=O)N2CCCC2)cc1 9669492 YARJVRZGSILFMK-UHFFFAOYSA-N 447.900 3.532 0 40 IHAB COc1ccc(S(=O)(=O)Nc2nc(CC(=O)Nc3ccccc3SC)cs2)cc1 9828654 BTQWOEFLIWTKLH-UHFFFAOYSA-N 449.579 3.856 0 40 IHAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CCC(=O)Nc1ccccc1Cl)n2CC(C)C 10740895 SGGLOONQQKLBHS-UHFFFAOYSA-N 445.951 3.567 0 40 IHAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3ncc(Cc4cccc(Cl)c4)s3)ccc21 11550269 BEAAKUUNKBMSDU-UHFFFAOYSA-N 440.912 3.663 0 40 IHAB COc1ccc(CCNc2ncc(-c3cc(C)no3)c(-c3cnc(C)cn3)n2)cc1OC 12154444 WDPKFIHGYMZPIV-UHFFFAOYSA-N 432.484 3.877 0 40 IHAB CCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3S(=O)(=O)CCC)cc1 12180439 HGVZUVWJVVXLHZ-UHFFFAOYSA-N 436.599 3.932 0 40 IHAB CC1CCN(c2ccc(N[C@H](C)C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)cc2)CC1 12550795 MVAIBKXAZYUAQM-GOSISDBHSA-N 444.601 3.612 0 40 IHAB Cc1ccc(O[C@H](C)C(=O)Nc2sc3c(c2C(=O)N2CCOCC2)CCCC3)cc1 12552735 WFQIWGFXPDUVTM-MRXNPFEDSA-N 428.554 3.814 0 40 IHAB CCN(CC)c1ccc(C(=O)OCC(=O)COC(=O)c2ccc(N(CC)CC)cc2)cc1 12555213 KBCOTUVWSGXCDB-UHFFFAOYSA-N 440.540 3.962 0 40 IHAB COc1ccccc1OCCNC(=O)c1cnn(-c2ccc(Br)cc2)c1C 12823737 KLBXNORFSNYWLM-UHFFFAOYSA-N 430.302 3.761 0 40 IHAB Cc1cccc(-c2nnc(S)n2CCC(=O)NC[C@H](c2ccccc2)N2CCCC2)c1 12971260 UBHJZXOUVJQRPM-OAQYLSRUSA-N 435.597 3.886 0 40 IHAB O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(Br)cc1 12981460 UAKWOTPAXJUZQN-UHFFFAOYSA-N 437.359 3.554 0 40 IHAB O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(OCc2cscn2)cc1 13164092 CRMFEEIKPHTZTJ-UHFFFAOYSA-N 443.550 3.759 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)[C@@H](CC)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716172 KHYPDTSMPCTKOZ-HXUWFJFHSA-N 432.542 3.663 0 40 IHAB O=C(c1ccc(OCc2cscn2)cc1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 14083786 BEXOVKDJLWTITC-UHFFFAOYSA-N 435.549 3.615 0 40 IHAB COc1ccc(NC(=O)COc2c(C)cc(C)cc2C)cc1S(=O)(=O)N1CCCCC1 14578139 NFMMNUVKFVXAJG-UHFFFAOYSA-N 446.569 3.813 0 40 IHAB O=C(Nc1ccc2c(c1)OCCO2)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O 15883363 AFEQSRPQDBFJAT-UHFFFAOYSA-N 431.423 3.607 0 40 IHAB Cc1cc(C)n(CC(=O)Nc2ccc3c(c2)OCO3)c(=O)c1-c1nc(-c2ccccc2)no1 16840306 TWXHBOAMLZGVTM-UHFFFAOYSA-N 444.447 3.550 0 40 IHAB O=C(NCc1ccc2c(c1)OCO2)C1CCN(c2ncnc3c2sc2ncccc23)CC1 16842208 CUGKDSXDFUOFHZ-UHFFFAOYSA-N 447.520 3.501 0 40 IHAB O=C(c1ccc(F)cc1)N1CCc2nc([C@@H]3CCCN3C[C@H]3CC=CCC3)[nH]c(=O)c2C1 19332099 YGXGUXDMZNXTPE-JTSKRJEESA-N 436.531 3.601 0 40 IHAB O=C(CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21)Nc1ccccc1-c1ccccc1 19374323 MJAIMWQZKTWRIU-QHCPKHFHSA-N 425.488 3.944 0 40 IHAB COc1ccc(CN2CCCC[C@H]2c2ncc(C(N)=O)c(C)n2)cc1Cc1c(C)n[nH]c1C 19764656 ARHXMYZCAIWVEC-QFIPXVFZSA-N 448.571 3.550 0 40 IHAB CC(C)(C(=O)N1CCC(c2ccc(C(=O)N3CCCC3)c(N)n2)CC1)c1cccc(F)c1 19765821 PFCNJUVWZNBNLX-UHFFFAOYSA-N 438.547 3.723 0 40 IHAB COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cc(F)ccc3F)cc2)c1 20021044 XWCPMIHEBWQXIO-UHFFFAOYSA-N 448.447 3.792 0 40 IHAB CCc1c(C)nc2nc(-c3ccccc3)nn2c1N1CCN(c2ccccc2OC)CC1 20191276 AOCKHEDCCRLYCG-UHFFFAOYSA-N 428.540 3.997 0 40 IHAB CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)Cc2coc3cc4c(cc23)CCC4)cc1 21042831 HVWMSNXPARZYSD-UHFFFAOYSA-N 440.565 3.608 0 40 IHAB Cc1ccc2c(c1)[C@@H](NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O)CC(C)(C)O2 22331388 QWVRPBNNJQBKHY-SFHVURJKSA-N 436.961 3.833 0 40 IHAB COc1ccccc1CCCNC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 22361839 IBNPFQDJAZEDTG-UHFFFAOYSA-N 445.368 3.517 0 40 IHAB CCOc1cccc(CNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)c1 22427890 OZQXSZJJOHMCEP-UHFFFAOYSA-N 438.549 3.905 0 40 IHAB COc1cc(C)c(CN2CCN([C@H](C)C(=O)Nc3ccc(Cl)cc3)CC2)cc1OC 22921949 GCIUTFQQZFKIPH-QGZVFWFLSA-N 431.964 3.810 0 40 IHAB C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(F)c2)C1=O)c1ccc2ccccc2c1 23883497 MFJMITLALOOXQV-BSEYFRJRSA-N 437.446 3.762 0 40 IHAB CCOC(=O)c1cnn(-c2ccc(NC(=O)CSCc3c(C)noc3C)cc2)c1C 24572594 SAURRPSFAHOIHF-UHFFFAOYSA-N 428.514 3.834 0 40 IHAB CC(C)c1c(C(=O)NCc2cccc(NS(C)(=O)=O)c2)cnn1-c1ccc(Cl)cc1 25240361 SDCHIZZONRMSFK-UHFFFAOYSA-N 446.960 3.951 0 40 IHAB CCc1cccc2c(C(=O)COC(=O)CSc3nc(C)c(C)c(C)c3C(N)=O)c[nH]c12 25631149 KIWKKWYCAFDHTB-UHFFFAOYSA-N 439.537 3.668 0 40 IHAB CC(C)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCc1cccc(F)c1F 25807446 BIUSJMIVFHFZHX-HSZRJFAPSA-N 428.435 3.643 0 40 IHAB O[C@@H](COCc1ccc2c(c1)OCO2)CSc1nnc(-c2ccccc2F)n1C1CC1 25856548 SNGBJUPTZSHPML-INIZCTEOSA-N 443.500 3.818 0 40 IHAB COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)n2nnc(-c3cccc(C(F)(F)F)c3)n2)c1 31684283 DEECORDIQBGVPM-QWHCGFSZSA-N 449.433 3.815 0 40 IHAB CCCCc1ccc(-c2csc(NC(=O)CN3C(=O)N[C@@](C)(C4CC4)C3=O)n2)cc1 32674766 VRTPFKKRBVCIAF-QFIPXVFZSA-N 426.542 3.812 0 40 IHAB NC(=O)N[C@H](CC(=O)NCCCSc1ccccc1)c1cccc(Br)c1 33000465 TUMXEJGAANPJQP-QGZVFWFLSA-N 436.375 3.847 0 40 IHAB CSCC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NC1CCCCC1 33019331 BWTVPOWZABCXAN-OAHLLOKOSA-N 439.430 3.842 0 40 IHAB CN(C)S(=O)(=O)c1ccc(-c2nnc(NC(=O)c3cc(Cl)sc3Cl)o2)cc1 35590054 LWGCZRZSPNRQPB-UHFFFAOYSA-N 447.325 3.608 0 40 IHAB CCOc1c(C(=O)NC)cn(C)c1-c1nc2cc(NC(=O)c3ccccc3)ccc2n1C 36370017 ULVXXXZYOUFJDL-UHFFFAOYSA-N 431.496 3.589 0 40 IHAB biogenic O=C(NCc1ccc(CN2CCOCC2)cc1)C1CCN(Cc2ccc(Cl)cc2)CC1 38831303 YFRXRABMFODVPD-UHFFFAOYSA-N 442.003 3.701 0 40 IHAB COc1ccc(CCNC(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3C)cc1OC 43728553 ZZUZVMJHLCLPNG-UHFFFAOYSA-N 430.508 3.933 0 40 IHAB COc1cccc(-n2c(=O)c3sccc3n(Cc3nc(-c4cccc(C)c4)no3)c2=O)c1 48986336 DQOPOUKCBWYJMI-UHFFFAOYSA-N 446.488 3.629 0 40 IHAB CCc1ccc(NC(=O)Cn2c(=O)n(-c3ccc(F)cc3C)c(=O)c3sccc32)cc1 57493265 MRAJPSDRUZJJQS-UHFFFAOYSA-N 437.496 3.863 0 40 IHAB COc1cccc(NC(=O)c2nnn(Cc3nc(-c4cccc(Cl)c4)oc3C)c2N)c1 57511838 BGYZVSUDEXZHMW-UHFFFAOYSA-N 438.875 3.786 0 40 IHAB CC(C)c1nnc2c(=O)n(CC(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc3n12 57522580 PAEKNTDZKZHABL-UHFFFAOYSA-N 429.402 3.825 0 40 IHAB COc1cc(/C=C/C(=O)N[C@H](C)C(=O)O)cc(Br)c1OCc1ccccc1 62715006 KYZIJASZQIWBJR-MMQHEFTJSA-N 434.286 3.639 0 40 IHAB COc1ccc(NC(=O)Cn2c(C)cc3nc(SC)n(CC(C)C)c(=O)c32)cc1OC 67319995 WJHUOZGANPYWDZ-UHFFFAOYSA-N 444.557 3.540 0 40 IHAB C[C@@H]1CCN(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)[C@H](c2ccco2)C1 72304660 DUWZCCPOHISXAY-NQIIRXRSSA-N 430.570 3.997 0 40 IHAB Cc1ccc(NC(=O)OC(C)(C)C)c(OCC(=O)Nc2ccc(S(C)(=O)=O)cc2)c1 72311142 GIVHXFHNGSURGH-UHFFFAOYSA-N 434.514 3.763 0 40 IHAB Cc1ccc(Oc2ccc(Cl)cc2NC(=O)C(=O)NCc2nncn2C2CC2)cc1 79023684 MWNJLELDCPZRKZ-UHFFFAOYSA-N 425.876 3.622 0 40 IHAB CCCc1cc(=O)oc2c(C)c(OCC(=O)NC[C@@H]3CCCN4CCCC[C@H]34)ccc12 79189963 WOAIWQYWCJMDHY-PZJWPPBQSA-N 426.557 3.813 0 40 IHAB biogenic Cc1cc(C)cc(Oc2cc(CNC(=O)CN3C(=O)CCOc4ccccc43)ccn2)c1 84085969 LKDGVZCONZNPOT-UHFFFAOYSA-N 431.492 3.923 0 40 IHAB C[C@@H]1CC[C@H]2C(=O)N(c3cccc(OC(=O)[C@@H]4CC(=O)N(c5ccccc5)C4)c3)C(=O)[C@@H]2C1 95483132 WOJFIYOWTOKWHS-XWOARTFESA-N 446.503 3.571 0 40 IHAB CCc1onc(C)c1C(=O)NC[C@H]1CC[C@H](c2nc(C)ncc2C(=O)N(CC)CC)CC1 100205073 AUKHAFJPTSVSDR-HDICACEKSA-N 441.576 3.830 0 40 IHAB COc1ccc(-c2ccc(S(=O)(=O)NCCCc3cnc4cc(C)nn4c3)cc2)cc1 207995892 DSHRDOPDMWVGGL-UHFFFAOYSA-N 436.537 3.624 0 40 IHAB CC[C@@H](C(=O)Nc1cc(OC)c(Cl)cc1OC)N(c1ccccc1F)S(C)(=O)=O 220599092 PDLHVYNFPIMILY-HNNXBMFYSA-N 444.912 3.680 0 40 IHAB CC[C@@H](C(=O)N[C@H]1CC(C)(C)Oc2ccccc21)N(c1cccc(OC)c1)S(C)(=O)=O 220629579 RSUDWXSYDFXNNH-PMACEKPBSA-N 446.569 3.658 0 40 IHAB CC[C@@H](C(=O)NCCc1ccc(OC)cc1)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O 220730585 CMRASHHDZKCOHO-FQEVSTJZSA-N 438.977 3.561 0 40 IHAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-n3cnnc3)c2C)cc1 223751436 GRGVIWGISULJAU-FGZHOGPDSA-N 445.552 3.589 0 40 IHAB CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(OC)cc1 223921379 IWFWHASBMIWMME-CQSZACIVSA-N 439.339 3.934 0 40 IHAB Cc1ccc(SCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1 225517772 UOCHOKQXQCSCCW-IBGZPJMESA-N 432.611 3.613 0 40 IHAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1OC 225572197 WLFABUCPFRBBNG-HSZRJFAPSA-N 446.547 3.769 0 40 IHAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1OC 225572226 WLFABUCPFRBBNG-QHCPKHFHSA-N 446.547 3.769 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(N3CCc4sccc4C3)CC2)cc1Cl 225690161 ZUWNTRCKAAUUOQ-UHFFFAOYSA-N 426.991 3.622 0 40 IHAB CN(C)c1ncc(-c2ccccn2)c([C@H]2CC[C@H](CNC(=O)CC[C@H]3CCCO3)CC2)n1 257246754 IVRGWDQNZRCPCS-VAMGGRTRSA-N 437.588 3.954 0 40 IHAB Cc1cnc2c(C(=O)N3CCO[C@H](c4cccc(Cc5ccccc5Cl)n4)C3)cnn2c1 257265155 LXNHUROYXVYYNZ-QFIPXVFZSA-N 447.926 3.891 0 40 IHAB Cc1ccc(C)c(N(CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)S(=O)(=O)N(C)C)c1 260832459 JSGFXTXMGFLADL-LJQANCHMSA-N 443.613 3.672 0 40 IHAB COc1cc(C)c([C@H](C)NC(=O)[C@H](c2ccccc2)N(C)S(C)(=O)=O)cc1C(C)C 260947514 WFNXEOINUYSANG-JTSKRJEESA-N 432.586 3.937 0 40 IHAB Cc1cccc(C(=O)N2Cc3cn(C(C)C)nc3C3(CCN(c4ncccn4)CC3)C2)c1 306137080 QLCXZHWWNJMOQC-UHFFFAOYSA-N 430.556 3.757 0 40 IHAB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccccc1 408657120 UBTHTOKAQXZJQD-SNHGZMDHSA-N 436.895 3.611 0 40 IHAB COCCCNC(=O)c1nc(-c2ccc(Br)cc2)n(-c2ccccc2C)n1 408692392 LNENQJDZVKUXKQ-UHFFFAOYSA-N 429.318 3.772 0 40 IHAB COCCNC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(Br)cc2)n1 408692418 MBPSHJZYHNPOFY-UHFFFAOYSA-N 435.709 3.726 0 40 IHAB COC(=O)c1ccc(C)c(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2C)c1 408702036 JUOKDRVLDHNICU-UHFFFAOYSA-N 444.553 3.907 0 40 IHAB CS(=O)(=O)N(CCCC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCO2 408703721 GORZAFLPYAXFCC-UHFFFAOYSA-N 445.324 3.907 0 40 IHAB Cc1cccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCc2ccccc2Cl)c1 408709917 IKMGKDCVKVTJKH-UHFFFAOYSA-N 435.911 3.833 0 40 IHAB COc1ccc(OC)c(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)c1 409165786 BNMQUYGNEVQYFK-YBFXNURJSA-N 426.494 3.996 0 40 IHAB COC(=O)[C@@H](Cc1ccccc1Br)NC(=O)c1ccnc(-c2ccco2)c1 1158200689 FHHAUDBUOXFWAI-QGZVFWFLSA-N 429.270 3.618 0 40 IHAB O=C(Nc1cccc(Oc2ccccc2)n1)N[C@@H]1CCc2ncc(Br)n2C1 1673706855 GGWPILMNZPQGHK-CYBMUJFWSA-N 428.290 3.969 0 40 IHAB COc1cc(OC)cc(C(=O)N2CCC3(CC2)Cc2ccccc2CN(CC2CC2)C3=O)c1 2056226451 RUVJPWMGOKDMSJ-UHFFFAOYSA-N 448.563 3.921 0 40 IHAB Cc1nccn1[C@H]1C[C@H]2CN(Cc3ccc(F)c(F)c3)C[C@H]2C[C@@H]1Oc1cnccn1 2332242541 PSMBISBXNRZIPI-UDKICSLYSA-N 425.483 3.790 0 40 IHAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccccc2)cc1 675567 KODPTPQRETUWKU-UHFFFAOYSA-N 439.562 3.634 0 40 IHAB Cc1ccc(OCC(=O)Nc2ccc(N3CCN(C(=O)C(C)C)CC3)c(Cl)c2)cc1 806972 CGOLRTWZIGHNLY-UHFFFAOYSA-N 429.948 3.971 0 40 IHAB CC[C@H]1Oc2ccc(C)cc2N(CC(=O)N(Cc2ccccc2F)C[C@H]2CCCO2)C1=O 1362346 GMXXQBFSFJABDQ-DENIHFKCSA-N 440.515 3.846 0 40 IHAB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(OCc2ccc(C)cc2)c(OC)c1 1449935 ATKXWSCFAYVARC-OAQYLSRUSA-N 426.538 3.939 0 40 IHAB COc1ccc(C(=O)NC(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)cc1 2641026 WJOYZMUVXWDXKP-UHFFFAOYSA-N 434.477 3.585 0 40 IHAB COc1cccc(/C=C/C(=O)OCC(=O)Nc2ccc(Br)c(C)c2)c1OC 3278596 GSCHJULBKZZDDY-JXMROGBWSA-N 434.286 3.970 0 40 IHAB CCOC(=O)c1ccc(NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1 4732594 BFAMSSKWDUBVHC-UHFFFAOYSA-N 430.507 3.978 0 40 IHAB COc1ccc(CNC(=O)CSc2nc3ccccc3c(=O)n2CCC(C)C)cc1 5036730 NIOKTJDDSHUKKC-UHFFFAOYSA-N 425.554 3.860 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC34CC5CC(CC(C5)C3)C4)CC2)cc1C 5950872 PGAUFZFABIWHQO-UHFFFAOYSA-N 430.614 3.743 0 40 IHAB CCN(CC)CCN(Cc1cc2c(C)ccc(C)c2[nH]c1=O)C(=S)NCc1ccco1 6193284 LQMYMQKXVAPEBI-UHFFFAOYSA-N 440.613 3.956 0 40 IHAB CC(C)CCC[C@H](C)NC(=O)COC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 8525817 DEJLHXZQYVMAOT-KRWDZBQOSA-N 427.545 3.611 0 40 IHAB Cc1cccc(N2C(=O)[C@@H](CC(=O)Nc3cccc(F)c3)N(CCc3ccncc3)C2=O)c1 8599524 LICYYFAUNUCCAP-JOCHJYFZSA-N 446.482 3.938 0 40 IHAB COc1ccc(OC)c([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCN(C)C)c1 8601380 OMTXJQUPLRWQGK-QFIPXVFZSA-N 436.508 3.616 0 40 IHAB CC(C)[C@H](NC(=O)c1cc2cc(Cl)ccc2n1C)C(=O)N[C@@H](C(=O)O)c1ccccc1 8792012 WYKASCVGSCWCQX-VQTJNVASSA-N 441.915 3.528 0 40 IHAB biogenic CC(=O)Nc1ccccc1OCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 9255051 ONCMKPZWCQGUHQ-UHFFFAOYSA-N 437.418 3.518 0 40 IHAB Cc1ccc(OCc2nnc(SCC(=O)Nc3nnc(C)s3)n2C(C)C)c(C)c1 9289849 KINDXLLMFUTIAK-UHFFFAOYSA-N 432.575 3.946 0 40 IHAB Cc1cccc2s/c(=N/C(=O)c3ccc(S(=O)(=O)N4CCCC[C@H]4C)cc3)n(C)c12 9393700 AAXIONRUQSSFGN-PXFSWQRTSA-N 443.594 3.852 0 40 IHAB COC(=O)[C@H](CC(C)C)NC(=O)CSc1nnc(Nc2ccccc2Cl)s1 9451441 VWEGAHPVCMEKDS-ZDUSSCGKSA-N 428.967 3.731 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc2nc(NC(=O)COc3ccccc3C)sc2c1 9472149 YVLRGDRJYGWTAO-UHFFFAOYSA-N 433.555 3.653 0 40 IHAB O=C(C[C@H]1CCS(=O)(=O)C1)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 9533634 QECBBJOWANBYEZ-CRAIPNDOSA-N 430.957 3.894 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=S)Nc1ccc(C(C)=O)cc1 9662936 FGNARXMCZPAOCB-UHFFFAOYSA-N 447.582 3.881 0 40 IHAB COc1ccc(C(C)=O)cc1CS(=O)(=O)CC(=O)Nc1nc(-c2ccccc2)cs1 9664569 YYGFYTQBIZVGAR-UHFFFAOYSA-N 444.534 3.575 0 40 IHAB COc1ccc(C(=O)NCCC2=CCCCC2)cc1S(=O)(=O)NCc1ccccc1 9668040 NTIYCONBZQQAGD-UHFFFAOYSA-N 428.554 3.794 0 40 IHAB Cc1ccc(S(=O)(=O)CC(=O)N(CCN(C)C)c2nc3cc(C)c(C)cc3s2)cc1 9708058 OMMWKOHTUHYDCZ-UHFFFAOYSA-N 445.610 3.590 0 40 IHAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc4ncsc4c3)CC2)c1C 9715961 CTSUVLDKZDXMCS-UHFFFAOYSA-N 443.594 3.677 0 40 IHAB Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3cccc(Cl)c3)c(=O)n2C)c(C)c1 10104975 JPWUSDVKLLTZNB-UHFFFAOYSA-N 449.942 3.757 0 40 IHAB CCOc1ccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)cc1 10128163 RTZWVZUZAGYFIY-HYEPPUOFSA-N 432.520 3.666 0 40 IHAB CCOc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2OC)c1 10295148 LFXHKHOLAVHNNY-UHFFFAOYSA-N 432.542 3.767 0 40 IHAB CC(C)C[C@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)NCc1ccccn1 12324650 BBSBWZMPGUYGRJ-FQEVSTJZSA-N 447.564 3.943 0 40 IHAB COc1ccc([C@@H]2c3cccn3CCN2S(=O)(=O)c2cc(F)ccc2F)cc1OC 12361675 YWSKVEMSWGALGH-OAQYLSRUSA-N 434.464 3.577 0 40 IHAB CCOC(=O)CNC(=O)CSc1nc2ccccc2n1Cc1c(F)cccc1Cl 12643090 MRLNWMBPJVIKJO-UHFFFAOYSA-N 435.908 3.649 0 40 IHAB Cc1ccc(NC(=O)CN2CCC(NC(=O)c3ccccc3C)CC2)c(Br)c1 12644441 RBKBMVKHFGWSAA-UHFFFAOYSA-N 444.373 3.899 0 40 IHAB COc1cc(COC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc(Cl)c1OC(F)F 12825660 LNGXTIJVXHWXDL-UHFFFAOYSA-N 449.859 3.557 0 40 IHAB CCC(C)(C)NC(=O)[C@H](c1ccccc1F)N(Cc1cccnc1)C(=O)c1csnn1 12874720 SDCUCWRNYTWPEO-IBGZPJMESA-N 441.532 3.761 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)cc1 14241614 JMWRWXSCTMCDIL-JOCHJYFZSA-N 441.553 3.620 0 40 IHAB COc1cc(-c2nnc(SCC(=O)N(CC(C)C)CC(C)C)o2)cc(OC)c1OC 16048999 LJHKFLCZUKVQOY-UHFFFAOYSA-N 437.562 3.995 0 40 IHAB CC(C)(C)OC(=O)N[C@H](CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)N1CCCC1 16697018 HAQHWJDCOZSCTI-QGZVFWFLSA-N 425.570 3.539 0 40 IHAB COc1cccc(CC(=O)N2CC[C@](Cc3cccc(-c4cccs4)c3)(C(N)=O)C2)c1 19564005 CQHBXZQJZKLTBC-RUZDIDTESA-N 434.561 3.913 0 40 IHAB COc1cccc(CN2CCNC(=O)[C@H](Cc3ccccc3-c3cccnc3)C2)c1OC 19568005 MGKDQWARDADZLJ-JOCHJYFZSA-N 431.536 3.557 0 40 IHAB CNC(=O)c1sc2ncccc2c1[C@H]1CN(Cc2c(C)nn(C(C)C)c2C)CCO1 19703213 URWJSVCIIMJBPR-GOSISDBHSA-N 427.574 3.624 0 40 IHAB CCN(C(=O)Cn1cccn1)[C@@H]1CCO[C@H](c2ccc(C(=O)Nc3ncccc3C)cc2)C1 19712707 NRBNVZYAVYBIQI-YADHBBJMSA-N 447.539 3.608 0 40 IHAB Cc1ccc(CN2C(=O)CCc3c(C)nc([C@@H]4CCCN4Cc4cnn(C)c4C)nc32)cc1 19740628 OVMPCLXUYJEQTA-QHCPKHFHSA-N 444.583 3.952 0 40 IHAB Cc1ccc(C)c([C@H]2CCCN2C(=O)c2cccn(CC(=O)NCc3ccccc3)c2=O)c1 19750059 XVLBVPLXVPNYMN-XMMPIXPASA-N 443.547 3.759 0 40 IHAB CS(=O)(=O)N(CC(=O)Nc1ccc(F)c(C(F)(F)F)c1)Cc1ccc(Cl)cc1 20014281 RQOFMJSIQBAZLI-UHFFFAOYSA-N 438.830 3.898 0 40 IHAB Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)N[C@@H]1CCCc2ccccc21 20022045 MTTYWVLAKXPQLU-JOCHJYFZSA-N 442.581 3.742 0 40 IHAB C[C@H](SCc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 20107156 QVFVKGCYTNSMHW-HNNXBMFYSA-N 428.539 3.538 0 40 IHAB O=C(OC[C@@H](c1ccccc1)N1CCS(=O)(=O)CC1)c1ccc(Cl)c(Cl)c1 20387804 OGCSCZQMCGGDLI-SFHVURJKSA-N 428.337 3.622 0 40 IHAB Cc1ccc(-c2cnc(CCC(=O)N3C[C@@H](C(=O)N(C)C)Oc4ccccc43)o2)cc1C 21478030 ILDDSKVZQMLJPT-QFIPXVFZSA-N 433.508 3.773 0 40 IHAB Cc1cn2c(=O)cc(COC(=O)c3cccc(NC(=O)c4cccs4)c3)nc2s1 21633401 GRNFDBGNUOOISK-UHFFFAOYSA-N 425.491 3.735 0 40 IHAB COc1ccc(CCC(=O)Nc2ccnn2Cc2cccc(OC)c2OC)cc1OC 21677823 CRWZDHHGSFQDMK-UHFFFAOYSA-N 425.485 3.537 0 40 IHAB C[C@@H](OC(=O)c1ccc2c(c1)OCC(=O)N2)C(=O)N(Cc1ccccc1)Cc1ccccc1 22259885 HLHKCNBQMPZEEI-GOSISDBHSA-N 444.487 3.792 0 40 IHAB CC(=O)c1cccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2cccs2)c1 22392120 WLRAQYAVUIXKAC-UHFFFAOYSA-N 432.498 3.924 0 40 IHAB c1ccc(CCn2nnnc2[C@H](c2ccccc2)N2CCN(Cc3ccccc3)CC2)cc1 22929883 DYFBYNXVDVWGBB-SANMLTNESA-N 438.579 3.823 0 40 IHAB CCOC(=O)C1=C(COC(=O)c2ccc(-c3ccccc3)cc2)NC(=O)N[C@H]1c1ccco1 24002385 MYYCLJUASHMONS-QFIPXVFZSA-N 446.459 3.975 0 40 IHAB COc1ccc(-c2nc(C(=O)O[C@H](C(=O)N(C)C)c3ccccc3)cs2)cc1OC 25844124 PRAJNCIRXPTYFX-IBGZPJMESA-N 426.494 3.814 0 40 IHAB CCOc1ccc(/C=c2/sc3nc(-c4ccccc4Cl)nn3c2=O)cc1OCC 26534000 PZDCFHDNHGKERC-LDADJPATSA-N 427.913 3.817 0 40 IHAB CCCc1cc(=O)[nH]c(SCC(=O)N2N=C(c3ccco3)C[C@@H]2c2cccs2)n1 32671870 BSRAFLRNSUUKDM-OAHLLOKOSA-N 428.539 3.847 0 40 IHAB CCOC(=O)c1c(NC(=O)c2ccc(Br)s2)sc(C(=O)NC)c1C 32736025 RGFAOWGSJKKTDK-UHFFFAOYSA-N 431.333 3.669 0 40 IHAB CCOc1cccc2cc([C@H](C)NS(=O)(=O)c3ccc(N4CCCC4=O)cc3)oc12 32814210 VRYCBSXSINBDTH-HNNXBMFYSA-N 428.510 3.998 0 40 IHAB Cc1nc2ccccc2nc1COC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1 32947305 UXZVNWVAXPNXMF-INIZCTEOSA-N 439.537 3.858 0 40 IHAB Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)C[C@H]2OC(=O)c3ccccc32)c1C 32970885 NEGLQHYFZLXSIN-XMSQKQJNSA-N 436.508 3.551 0 40 IHAB CC(C)NC(=O)c1ccccc1NC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C 33088684 QHEAWCSYDFANAZ-UHFFFAOYSA-N 449.532 3.883 0 40 IHAB Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)NCc3ccccc3Cn3cncn3)c12 33107551 BTLZYGGGOLRZKH-UHFFFAOYSA-N 443.536 3.575 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)N[C@H](C)c1ccc2c(c1)OCO2 34892060 YMOCFWYJHVOONE-DLBZAZTESA-N 444.553 3.778 0 40 IHAB Cc1ccc(C)c(OCC(=O)Nc2ccc(OCc3cc(=O)n4oc(C)cc4n3)cc2)c1 35378603 HZMDHICKRSBBOM-UHFFFAOYSA-N 433.464 3.809 0 40 IHAB Cc1c(NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)c(=O)n(-c2ccccc2)n1C 39752982 NALGRDPXDWCSPL-UHFFFAOYSA-N 438.959 3.989 0 40 IHAB O=C(OCc1nnc(C(=O)NCc2ccc(F)cc2)s1)c1cc2c(s1)CCCC2 40068565 WOPGCVGDTDJEET-UHFFFAOYSA-N 431.514 3.905 0 40 IHAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccc(-n2cc(Br)cn2)cc1 40086491 WVUKLNLFGAFGFF-UHFFFAOYSA-N 441.329 3.962 0 40 IHAB O=C(NC12CC3CC(CC(C3)C1)C2)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 44843571 KEMNZULEBMCDNK-XOTIMPRHSA-N 444.641 3.746 0 40 IHAB CN(c1cccc(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)c1)S(C)(=O)=O 44901424 GNYMSNIXVJYNQA-UHFFFAOYSA-N 435.549 3.897 0 40 IHAB C[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CC2)C1 44946558 VUXITZDSERCSHC-AWEZNQCLSA-N 433.401 3.794 0 40 IHAB COc1cccc([C@@H]2[C@@H](Oc3ccccc3Cl)C(=O)N2CCCCN2CCOCC2)c1 48342264 GOJMGXOMMKGWMT-DHIUTWEWSA-N 444.959 3.792 0 40 IHAB COc1cc(NC(=O)CN2CCC(c3nc(-c4cccc(C)c4)no3)CC2)cc(OC)c1 49403210 VBJRESQKLHHUPY-UHFFFAOYSA-N 436.512 3.880 0 40 IHAB O=S(=O)(c1ccc2nncn2c1)N(Cc1cccc(Cl)c1)c1ccc2c(c1)OCO2 49408387 IXTWYYSVZQLINB-UHFFFAOYSA-N 442.884 3.507 0 40 IHAB COCc1c(C(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)sc2cccc(F)c12 58106563 IXCLVZSYEOOVGV-UHFFFAOYSA-N 442.512 3.589 0 40 IHAB O=C(Nc1cccc2cnccc12)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 58158181 JVNXVISYGPRJRM-UHFFFAOYSA-N 428.414 3.541 0 40 IHAB O=C(O)CC1(CNC(=O)Cn2nc(-c3cccc4ccccc34)ccc2=O)CCCCC1 61720215 JBYJSQLHIWRLGZ-UHFFFAOYSA-N 433.508 3.605 0 40 IHAB CCc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)NCc1ccc(C)cc1 64580488 JWYHDQOONXQDFB-UHFFFAOYSA-N 437.565 3.665 0 40 IHAB COc1cccc(-c2cc3c(N4CCN(c5ccc(C(C)=O)cc5)CC4)nccn3n2)c1 67284912 KKZLLDZOMCNHHY-UHFFFAOYSA-N 427.508 3.934 0 40 IHAB COCCn1ccc2c(NC(=O)Cn3nc(-c4ccccc4Cl)ccc3=O)cccc21 71286900 GAXQGWXMAXNDBS-UHFFFAOYSA-N 436.899 3.804 0 40 IHAB Cc1c(CN2CCC([C@@H]3Nc4ccccc4S(=O)(=O)N3)CC2)[nH]c2ccc(F)cc12 72338942 VXFGZBXNAKYKJG-JOCHJYFZSA-N 428.533 3.558 0 40 IHAB Cc1ccc(S(=O)(=O)N2CC[C@H](c3cc(CCOc4cccc(F)c4)[nH]n3)C2)cc1F 72371425 NPZDGWALOZTVSJ-INIZCTEOSA-N 447.507 3.796 0 40 IHAB CCCn1cc(S(=O)(=O)N2CCC[C@@H](c3cccc(Nc4ccccn4)n3)C2)c(C)n1 72376114 TZUFVTVJFGJXRI-GOSISDBHSA-N 440.573 3.703 0 40 IHAB COc1ccc(CC(=O)N2CCCC[C@H]2c2cc(C(F)(F)F)c3c(N)n[nH]c3n2)cc1 72380185 GZPBANQNSHHALC-INIZCTEOSA-N 433.434 3.864 0 40 IHAB COc1cccc(-c2c[nH]nc2[C@@H]2CCCN2S(=O)(=O)c2ccc(NC(C)=O)cc2)c1 72380288 FXLCGKFZMOBERZ-NRFANRHFSA-N 440.525 3.570 0 40 IHAB CCOC(=O)c1cc(Br)cc(F)c1NS(=O)(=O)c1ccccc1OC 95956593 GSZDUAAJMDKDKV-UHFFFAOYSA-N 432.267 3.574 0 40 IHAB Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CCC([C@H](O)c2ccccc2)CC1 97159650 RFFBWMSLAVFXSL-HXUWFJFHSA-N 445.357 3.977 0 40 IHAB CCCC(=O)N1CCCC[C@H]1c1cc2nc3c(c(O)n2n1)CN(Cc1ccsc1)CC3 100233822 LFEQAZPYPUPNKS-FQEVSTJZSA-N 439.585 3.908 0 40 IHAB C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@]4(O)[C@@H](C[C@H]5[C@H]4C[C@@H](O)[C@H]4C[C@@H](O)CC[C@@]45C)[C@H]3CN2C1 105383605 NQGYOUYEGZOZBN-CICSUDLHSA-N 431.661 3.678 0 40 IHAB biogenic CC(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3C[C@H](NC(C)=O)[C@@H]2OC(C)=O)C1 118920859 XPIBCNBRWGFJER-UUBZFABMSA-N 432.605 3.580 0 40 IHAB CCc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2cccc(C(F)(F)F)c2)CC1=O 138755478 DWDAOWBMSBXPBY-OAHLLOKOSA-N 434.414 3.803 0 40 IHAB Cc1cccc(N([C@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)S(C)(=O)=O)c1 220149988 JXFCUBQDYBIZPK-YLJYHZDGSA-N 430.570 3.877 0 40 IHAB COc1ccc(-c2noc(CNC(=O)[C@H](C)Oc3ccc(Cl)c(C)c3)n2)c(OC)c1 222857794 DCYGJPQVTMYNSG-ZDUSSCGKSA-N 431.876 3.799 0 40 IHAB CCc1ccc(OCC(=O)N(Cc2ccccc2)[C@@H](CC)C(=O)NC)c(Br)c1 222952894 FPXDEIZKRZVXMU-IBGZPJMESA-N 447.373 3.944 0 40 IHAB COc1cc(C)c([C@@H](C)NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1C(C)C 223373755 NJHXLCNXTSRXNB-OAHLLOKOSA-N 425.572 3.570 0 40 IHAB COc1ccc(C)cc1N([C@@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1)S(C)(=O)=O 224971811 LMKGUUCMCJJXCU-SFHVURJKSA-N 445.585 3.787 0 40 IHAB CC[C@H](NC(=O)c1ccc(Cn2nc(C)cc2C)cc1)c1ccc(S(C)(=O)=O)cc1 225293411 ZSTPRDGYAPLOLA-QFIPXVFZSA-N 425.554 3.833 0 40 IHAB C[C@H](C(=O)NCCSC1CCCC1)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 225451720 CPRJJQCJFNGFFE-CYBMUJFWSA-N 438.537 3.652 0 40 IHAB Cc1cc(Cc2ccccc2Cl)cc([C@@H]2CN(C(=O)c3cnc(N)nc3C)CCO2)n1 257276701 NUVCLSUOQFJJAU-NRFANRHFSA-N 437.931 3.529 0 40 IHAB COc1cccc2c1OC(C)(C)[C@H]1CC3(CCN(C(=O)c4cnn(C)c4)CC3)CO[C@H]21 257300825 RVVRIPTYYRMSBG-AZUAARDMSA-N 425.529 3.600 0 40 IHAB COc1ccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(=O)CCO)cc1OC(F)F 257310315 UEPNZNWZXCGWRL-SBROKSHESA-N 439.499 3.678 0 40 IHAB COc1ccc(C(=O)N2CCC(COc3cccc(Cl)c3)(CC(N)=O)CC2)cc1F 257342673 ZPQQJHHPECGCQS-UHFFFAOYSA-N 434.895 3.665 0 40 IHAB COc1ccccc1CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 408559732 YCFVWBWJNRERGJ-OAQYLSRUSA-N 438.549 3.566 0 40 IHAB COc1ccccc1/C=[N+]1\NC(=O)[C@H](NC(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(C)cc1 409060112 SUIIFLVMNUDLKM-VNGKGULCSA-O 448.930 3.673 0 40 IHAB COc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc1Cl 409208005 AHOAWMHIJBKQIG-ODLFYWEKSA-N 442.924 3.970 0 40 IHAB CCOc1cc(C(=S)N2CCOCC2)ccc1OCC(=O)Nc1c(C)cccc1C 409250817 SIHOLRGEOHXLSA-UHFFFAOYSA-N 428.554 3.727 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(F)c(Cl)c2)C1 409392332 RIYYLMIBJGLDNE-AWEZNQCLSA-N 440.924 3.836 0 40 IHAB Cc1nnc2c3ccccc3c(N3[C@H]4CC[C@H]3CC(N(C)C(=O)c3ccccc3)C4)nn12 581599681 RRWYVFQJNPZQGA-OALUTQOASA-N 426.524 3.858 0 40 IHAB Cc1cccc(OC[C@]2(O)COCCN(C[C@]3(O)CC[C@@H](c4ccccc4)CC3)C2)c1 585288277 ZWORZDLSCSHYNP-DMTNHVFBSA-N 425.569 3.526 0 40 IHAB COc1ccc2c(=O)c(C(=O)N3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@H]56)[C@H]43)c[nH]c2c1 604404505 CVCGWCIVYITPEF-PMASJOIYSA-N 433.552 3.572 0 40 IHAB biogenic O=C(N[C@@H]1COc2cccc(Br)c2C1)c1c(C(F)(F)F)nc2n1CCCC2 1615610936 RPXBHUQRVIVMDH-JTQLQIEISA-N 444.251 3.734 0 40 IHAB C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCOc2ccc(F)c(Cl)c2)CC(C)(C)C1 1726689973 WMBKTMREDGLKMO-KBXCAEBGSA-N 449.958 3.973 0 40 IHAB COc1cccc(OC)c1C(=O)N1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 782953 LYCDCRQOTDNNRU-UHFFFAOYSA-N 430.504 3.969 0 40 IHAB CCc1nnc(NC(=O)CSc2nnc(-c3ccc(Br)cc3)o2)s1 872539 LYMDXCPJUBZDMH-UHFFFAOYSA-N 426.321 3.644 0 40 IHAB CC(C)[C@@H](C(=O)OCC(=O)Nc1ccc(Cl)c(Cl)c1)N1C(=O)c2ccccc2C1=O 1917062 UYCZFEXXAIKZDR-SFHVURJKSA-N 449.290 3.796 0 40 IHAB CC[C@@]1(C)Cc2c(sc3nc(SCC(=O)NCCc4ccccc4)nc(N)c23)CO1 2235633 PJXGDUTZYNMTDP-QFIPXVFZSA-N 442.610 3.966 0 40 IHAB Cc1ccccc1NC(=O)Cn1cc(S(=O)(=O)c2ccccc2)c(=O)c2ccccc21 2691032 HNVARMZAJPNWQZ-UHFFFAOYSA-N 432.501 3.781 0 40 IHAB Nn1c(Cc2cccc3ccccc23)nnc1SCC(=O)NCCCc1ccccc1 3248998 VOIZEUWBEYWHJB-UHFFFAOYSA-N 431.565 3.577 0 40 IHAB Cc1sc2nc(-c3cccnc3)nc(NCCc3ccc(S(N)(=O)=O)cc3)c2c1C 3418533 XATIRBTWJDMAHO-UHFFFAOYSA-N 439.566 3.672 0 40 IHAB COc1ccc(/C=C/C(=O)NCCN2C(=O)S/C(=C\c3ccc(F)cc3)C2=O)cc1 3423282 KVHDPRFETHXJIA-LVUASEOMSA-N 426.469 3.700 0 40 IHAB Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)OCC(=O)N(C(C)C)C(C)C)c2)c1 3510013 ASLWZJAFAHQWIY-UHFFFAOYSA-N 446.569 3.906 0 40 IHAB CCCOc1ccc(/C=C/C(=O)N(CCc2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1 4749876 KIWMMVXCIURYLQ-KCQSEKJDSA-N 427.566 3.747 0 40 IHAB COc1cc(OC)c(C(=O)OCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1OC 4870396 PIHJQYIEBDQNLU-IOAHRDFVSA-N 431.529 3.590 0 40 IHAB Cc1c(NC(=O)c2cccc(NC(=O)CCc3ccco3)c2)c(=O)n(-c2ccccc2)n1C 8777395 QCJCNJKVECRLLM-UHFFFAOYSA-N 444.491 3.901 0 40 IHAB Oc1ccc(Nc2nc3nonc3nc2Nc2ccccc2I)cc1 8854745 WMWINBMRHZGQTL-UHFFFAOYSA-N 446.208 3.810 0 40 IHAB Cc1cccc2c(=O)n(CC(=O)N(Cc3nnc(-c4ccc(Cl)cc4)o3)C3CC3)cnc12 8941844 OFNMGGRULDLUHY-UHFFFAOYSA-N 449.898 3.600 0 40 IHAB Cc1cccc(NC(=O)C[C@H]2C(=O)N[C@@H]3CCCC[C@@H]3N2C(=O)c2ccccc2Cl)c1 9059133 ADMBSTHGQDPLIL-HKBOAZHASA-N 439.943 3.929 0 40 IHAB CC(=O)N1CCCc2cc(S(=O)(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)ccc21 9465689 KZUOLZIBELBAOF-UHFFFAOYSA-N 428.510 3.828 0 40 IHAB C[C@H](Sc1nnc(-c2cccnc2)n1C1CC1)C(=O)N1c2ccccc2NC(=O)C1(C)C 9512669 HCKNOQHLHWFKAO-AWEZNQCLSA-N 448.552 3.920 0 40 IHAB CC[C@H](Sc1ncc(-c2ccccc2)nn1)C(=O)Nc1nnc(C(F)(F)F)s1 9667833 VLPVHGWNBMWQGU-NSHDSACASA-N 426.449 3.918 0 40 IHAB Cc1cc(Br)ccc1NS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2 9708652 KERJEBOLYWNFOX-UHFFFAOYSA-N 435.343 3.784 0 40 IHAB COc1cccc(NC(=O)Cc2csc(NS(=O)(=O)c3ccc(Cl)cc3)n2)c1 9828526 MNOVBZIMWJKEJS-UHFFFAOYSA-N 437.930 3.787 0 40 IHAB CN(CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)Cc1cccs1 10213107 BWHSYTRZCLCMQV-UHFFFAOYSA-N 442.006 3.647 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)cc1 10324677 BOXKXOHJMVHNQO-OAHLLOKOSA-N 430.526 3.606 0 40 IHAB COc1ccc(C(=O)N[C@@H](C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)C(C)C)cc1 10544937 LTNYKVHNYZNRRM-XMSQKQJNSA-N 434.540 3.732 0 40 IHAB COc1cc(OC)c(C2=CCN([C@H](C)C(=O)NCCc3ccc(F)cc3)CC2)c(OC)c1 11061903 VWGZFHUVLIRDQG-QGZVFWFLSA-N 442.531 3.688 0 40 IHAB C=C1c2ccccc2C(=O)N1CCC(=O)Nc1cc2c(cc1Br)OCCO2 11413098 VNZUZTWRLQKGGR-UHFFFAOYSA-N 429.270 3.676 0 40 IHAB CC(C)(C)c1ncc(C(=O)N2CCC[C@H](c3nc4ccc(F)cc4cc3C(N)=O)C2)cn1 12219958 CJDJWYMBRPPSCD-AWEZNQCLSA-N 435.503 3.580 0 40 IHAB COCCN1C(=O)CC[C@@H]1CCNc1ncc(-c2cccs2)c(-c2nccs2)n1 12327146 SKERMFRGYGAVIO-CQSZACIVSA-N 429.571 3.768 0 40 IHAB CC(C)[C@@H](N[C@@H](C)C(=O)N1CCN(c2ccccc2)CC1)c1ccc2c(c1)OCCCO2 12606183 IDMYFKWBUNGMFA-NBGIEHNGSA-N 437.584 3.872 0 40 IHAB O=C(Nc1ccc(F)cc1)C(=O)N(C1CCCC1)[C@@H](C(=O)NC1CCCC1)c1ccco1 12641508 PYDBYYNCDILSMR-OAQYLSRUSA-N 441.503 3.929 0 40 IHAB CCN1CCN(c2ccc(NC(=O)CCc3c(C)nc(SC)nc3C)cc2C)CC1 12741886 MQOMESCPASAXJA-UHFFFAOYSA-N 427.618 3.837 0 40 IHAB COCCn1c(S[C@H](C)C(=O)Nc2cccc(OC)c2)nc2sc(C)c(C)c2c1=O 12800460 XMNNJGQDWMGMHC-CQSZACIVSA-N 447.582 3.849 0 40 IHAB COc1ccc(-c2nc(C(=O)N(C)CC(=O)Nc3cccc(F)c3)cs2)cc1OC 12902771 LTMXDYAZPYGUBZ-UHFFFAOYSA-N 429.473 3.677 0 40 IHAB CCCCc1ccc(-n2c(SCC(=O)N3CCOCC3)nc3ccccc3c2=O)cc1 13165369 XWGMHXYKNBGYSN-UHFFFAOYSA-N 437.565 3.679 0 40 IHAB Cn1ccc(C(=O)NCc2ccc(-c3nc(C4CC4)ncc3-c3ccccn3)cc2)cc1=O 13265518 VBEZODZRAOBYAT-UHFFFAOYSA-N 437.503 3.712 0 40 IHAB COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cc(Cl)ccc2C)cc(OC)c1OC 13387924 HOMGUJRIGCNLTR-IBGZPJMESA-N 445.903 3.941 0 40 IHAB CCN(CC)C(=O)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)cc1 14068773 APBRYQNAYRRBLH-LJQANCHMSA-N 425.504 3.799 0 40 IHAB C[C@]12CCC(=O)N1[C@H](C(=O)/N=c1/sccn1Cc1ccc(Cl)cc1Cl)CS2 16044306 OOBBLBRPIGJGES-JENUVRPHSA-N 442.393 3.786 0 40 IHAB O=S(=O)(Nc1ccccc1I)c1ccccc1Br 16101398 XTORMGKRXAEVGF-UHFFFAOYSA-N 438.084 3.855 0 40 IHAB COc1ccccc1-n1ncc2c(O)nc(SCC(=O)Nc3cc(C)cc(C)c3)nc21 17010609 ICVABYZLMNELKE-UHFFFAOYSA-N 435.509 3.877 0 40 IHAB O=C(NCCc1csc2nc(-c3ccccc3F)nn12)c1cc2ccccc2oc1=O 17201111 JNESDDXOBXOWAB-UHFFFAOYSA-N 434.452 3.676 0 40 IHAB O=C([C@@H]1COc2ccc(Cl)cc2C1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 18046056 MBVNPIOZBDZETI-AWEZNQCLSA-N 425.838 3.654 0 40 IHAB O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN21 18046458 MXYIXAZWSAUGRN-AFXVXQJMSA-N 439.446 3.587 0 40 IHAB CCN(CC)C(=O)c1cccc(NC(=O)COC(=O)c2c(C)nn(-c3ccccc3)c2C)c1 18970385 YASIGROCIMEHDU-UHFFFAOYSA-N 448.523 3.767 0 40 IHAB O=C(Cc1cccs1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CN(C1CCCCC1)CC2 19343232 SOZNTVNVLAXUQI-NRFANRHFSA-N 440.613 3.819 0 40 IHAB CCN1CCN(C(=O)Cc2cccnc2)C[C@@H](Cc2cccc(-c3ccccc3)c2)C1=O 19527494 WMGTXKWREILHMP-RUZDIDTESA-N 427.548 3.841 0 40 IHAB CNc1cc([C@@H]2CCCN(C(=O)Cc3ccc(OC)c(F)c3)C2)nc(-c2cccnc2)n1 19592165 RLAXGAUZNIZBFM-GOSISDBHSA-N 435.503 3.677 0 40 IHAB COc1ncccc1-c1cc(=O)[nH]c([C@@H]2CCCN2C(=O)c2cccc(C(F)(F)F)c2)n1 19594659 BHGDFDAARSVQKV-KRWDZBQOSA-N 444.413 3.837 0 40 IHAB COc1ccc(-c2cc(C)nc([C@@H]3CCCN3S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)cc1 19690689 BYYXRRUYAUCPII-IXFSTUDKSA-N 445.585 3.557 0 40 IHAB COc1ccc(CN2CC[C@@H](c3nc(N(C)C)ncc3-c3cncnc3)C2)cc1OC(C)C 19695052 YFZNPOPWEOKOCK-LJQANCHMSA-N 448.571 3.785 0 40 IHAB O=C(NCc1ccc(F)cc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 19930990 MDVOZCCWVPHEMN-NRFANRHFSA-N 446.931 3.685 0 40 IHAB Cc1ccc(F)cc1NC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1C 20021944 AMGSZHORBYEALQ-UHFFFAOYSA-N 442.512 3.939 0 40 IHAB COc1cc(NC(=O)CN2C(=O)C(c3ccccc3)=NC23CCC(C)CC3)cc(OC)c1 20436692 HMYZLMLYZJZCSR-UHFFFAOYSA-N 435.524 3.880 0 40 IHAB O=C(COc1ccc(Cl)cc1)Nc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)cc1 20529122 WMAWHAHMPLNYTL-UHFFFAOYSA-N 441.837 3.568 0 40 IHAB CCOC(=O)C1=C(CN2CCC(Cc3ccccc3)CC2)NC(=O)N[C@H]1c1cccs1 20559097 HXIQUBYDRKFUJW-QFIPXVFZSA-N 439.581 3.874 0 40 IHAB COc1ccccc1C(=O)N[C@]1(C(F)(F)F)N=C(c2ccccc2)N(C2CCCC2)C1=O 20622753 GVVJGAIVRUEBDZ-JOCHJYFZSA-N 445.441 3.915 0 40 IHAB COc1ccc(-c2nc3n(n2)[C@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)C(=O)N3)cc1 20744874 LTWDMSBPFOVAKN-OAHLLOKOSA-N 432.267 3.783 0 40 IHAB Cc1c(Cl)cccc1N(CC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)S(C)(=O)=O 22337253 KSIYZWCLVDNEIE-QGZVFWFLSA-N 436.961 3.833 0 40 IHAB Cc1ccccc1C(=O)N1CCC(C(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1 30561059 VQBNSIIFKGIQBM-UHFFFAOYSA-N 425.960 3.849 0 40 IHAB Cc1cc(CN2CCN(C(=O)c3cn(-c4ccccc4)nc3-c3ccccc3)CC2)no1 32741379 HGSHBEOUSLMUSA-UHFFFAOYSA-N 427.508 3.794 0 40 IHAB CC(C)NS(=O)(=O)c1ccc(-c2ccc([C@@H]3NC(=O)c4ccccc4N3C)o2)cc1 32855749 ZFTOVBABRIXRLM-OAQYLSRUSA-N 425.510 3.512 0 40 IHAB CN(C)[C@H](CNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccco1 33024255 UOCIFMDWKQNPCF-LJQANCHMSA-N 447.944 3.767 0 40 IHAB O=C(NCc1ccccc1-n1ccnc1)c1ccccc1NS(=O)(=O)c1ccccc1 38753537 LAGJFLJJRCIXPD-UHFFFAOYSA-N 432.505 3.603 0 40 IHAB CCc1cccc2c(/C=C3/C(=O)N(c4ccc(C)c(C)c4)C(=S)N3C)cn(CC(N)=O)c12 39556279 CSCNIYNLDITSQJ-MTJSOVHGSA-N 446.576 3.910 0 40 IHAB O=C(Cn1cnc2c(sc3cccc(Cl)c32)c1=O)Nc1ccc2c(c1)OCCO2 45942891 UMYZBTPBSTZQFF-UHFFFAOYSA-N 427.869 3.675 0 40 IHAB COC(=O)Cn1c2c(sc1=O)[C@H](c1ccc(F)c(F)c1)CC(=O)N2c1ccccc1 49543834 SDPSZWOEOUYSDU-AWEZNQCLSA-N 430.432 3.561 0 40 IHAB COCCCNC(=O)CN(C)[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 57986453 BYUZFRLODRTNPE-FQEVSTJZSA-N 438.355 3.758 0 40 IHAB CC(C)c1noc(-c2cc(=O)n(CC(=O)Nc3ccc4c(c3)OCO4)c3ccccc23)n1 65154329 KWAFHJUIXWPPDA-UHFFFAOYSA-N 432.436 3.542 0 40 IHAB Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@@H]2CCCN(CC(=O)N3CCCC3)C2)n1 72345930 WOHPJAVYOAOQMW-MRXNPFEDSA-N 433.478 3.546 0 40 IHAB Cc1cc(-c2cncnc2)cc([C@@H]2CCCN(C(=O)CN(C)Cc3ccccc3F)C2)n1 72353784 YSDSMKRHHNSCOK-HXUWFJFHSA-N 433.531 3.824 0 40 IHAB CCCn1ncc(CN2CCC(C[C@@H]3CC(c4ccccc4F)=NO3)(C(=O)O)CC2)c1C 72389709 BLRJYTLYXKKMPP-IBGZPJMESA-N 442.535 3.991 0 40 IHAB CC(=O)c1ccc(OCCCC(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)cc1 95454150 LOXKOBIOQGWFER-OFNKIYASSA-N 428.916 3.790 0 40 IHAB COc1ccc2c(c1)CCN(C(=O)[C@H]1C[C@@H]3CC[C@]1(C)C[C@]31NC(=O)c3ccccc3N1)C2 100117381 PWOBWHXWAHNHDG-WLWUYFJESA-N 445.563 3.958 0 40 IHAB CC[C@@H](C(=O)NCc1ccccc1OC)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 220701904 OSQYBFYUBYAXNC-KRWDZBQOSA-N 445.368 3.863 0 40 IHAB CCc1ccc(CC)c(CNC(=O)[C@@H](CC)N(c2ccc(OC)cc2)S(C)(=O)=O)c1 222941517 SWAKXSYLGOERGV-JOCHJYFZSA-N 432.586 3.681 0 40 IHAB CS(=O)(=O)N(CC(=O)NCCSC1CCCC1)c1cccc(Cl)c1Cl 223183717 MCGVJZHFKIZMMC-UHFFFAOYSA-N 425.403 3.551 0 40 IHAB COCCn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(NC(C)=O)cc1 223968421 MSXATJXFIPXIMR-VXKWHMMOSA-N 435.553 3.665 0 40 IHAB CCc1ccc(OCCNC(=O)CCCN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 224150754 MJNHMKZZMSQHIO-UHFFFAOYSA-N 432.586 3.607 0 40 IHAB CCc1ccc(OCCNC(=O)CCCN(c2c(C)cccc2CC)S(C)(=O)=O)cc1 224843605 JHMSUKVKTUBIIM-UHFFFAOYSA-N 446.613 3.861 0 40 IHAB CC(C)OCCCNC(=O)Cc1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 225988214 WWGJCZSZZXIEFB-UHFFFAOYSA-N 438.977 3.639 0 40 IHAB O=C(NCc1cccc2ccccc12)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 226081794 HCHHBCSBDUCLHB-LJQANCHMSA-N 426.513 3.696 0 40 IHAB COCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cc(CN(C)C)ccc4OC)OCC[C@@]31C2 257201782 AJAVPGZYZSIQAK-MFLQQMQESA-N 444.616 3.792 0 40 IHAB CCOc1ccc(CCC(=O)N2CCO[C@H](c3ccc(Nc4cnccn4)cn3)C2)cc1 257209735 BRRNAOAXCXCOEU-QFIPXVFZSA-N 433.512 3.547 0 40 IHAB O=C(c1ccccc1Cn1cccn1)N1CC[C@@]2(C1)CN(c1ccc(Cl)cc1)C(=O)O2 257238205 HJZIVHRACWBNLB-HSZRJFAPSA-N 436.899 3.826 0 40 IHAB Cc1cc(C(=O)N2CCOC[C@H](Cc3cccc4ccncc34)C2)nc(N2CCCCC2)n1 257246706 IVKVDXBWLCBNRI-HXUWFJFHSA-N 445.567 3.655 0 40 IHAB O=C(C1CCN(Cc2cccnc2)CC1)N1CCC[C@H]1c1nc(Cc2ccc(F)cc2)n[nH]1 257309823 UCNHZXVEGFJZLG-QFIPXVFZSA-N 448.546 3.505 0 40 IHAB Cc1cc(N(C)C)nc([C@@]2(C)CCCN(C(=O)C(O)(c3ccccc3)c3ccccc3)C2)n1 257334242 YFDCVMVSLUBUCG-SANMLTNESA-N 444.579 3.667 0 40 IHAB CCOc1ccc(N([C@H](CC)C(=O)N[C@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)cc1 260912705 BMGGPJCKXYYWIE-UZUQRXQVSA-N 444.597 3.996 0 40 IHAB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 408604278 LQXRXAIZAXBTEQ-SNVBAGLBSA-N 436.839 3.673 0 40 IHAB O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C1=O)NC[C@H]1CCCO1 409209641 HKQXRFXAPQALMJ-LTKMBJGESA-N 446.912 3.932 0 40 IHAB COc1cc(C(=S)N2C[C@@H](C)O[C@H](C)C2)ccc1OCC(=O)Nc1ccccc1C 409226151 PFTSKPWMTATVOJ-IAGOWNOFSA-N 428.554 3.806 0 40 IHAB Cc1ccc(CN2C(=O)N/C(=C/c3cc(Cl)c(OCC(=O)O)c(Cl)c3)C2=O)cc1 409248352 QBJVNRLDSSHSMP-LZYBPNLTSA-N 435.263 3.858 0 40 IHAB O=C(NCCn1nc(-c2ccc(F)cc2)n(C2CC2)c1=O)c1cccc(C(F)(F)F)c1 585200306 ZHAWFLOOASWHOT-UHFFFAOYSA-N 434.393 3.635 0 40 IHAB CCCc1nc2ccccc2n1CC(=O)N1CCC2(CC1)CC(=O)NC[C@@H]2c1ccccc1 1848357630 ZPDBASIRIOQALE-OAQYLSRUSA-N 444.579 3.901 0 40 IHAB COc1ccccc1NC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 794034 ISWCTMBNROBZQV-GOSISDBHSA-N 428.535 3.511 0 40 IHAB CCc1cccc(C)c1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(OC(C)C)cc2)C1 794293 ZGLMXRRLTFOWEE-IBGZPJMESA-N 438.524 3.879 0 40 IHAB COc1cc(-c2noc([C@@H]3CCCN(C(=O)c4cccc(F)c4)C3)n2)cc(OC)c1OC 1364131 NLPCADNRJQISRK-OAHLLOKOSA-N 441.459 3.921 0 40 IHAB O=C(NCc1ccco1)c1cccc(NC2=C(Cl)C(=O)N(CCc3ccccc3)C2=O)c1 1785743 XUSZYBUAIYLNEI-UHFFFAOYSA-N 449.894 3.683 0 40 IHAB CCCCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc(Br)c(O)c(OC)c1 2070702 FBHJPCKCFIOHQF-MRXNPFEDSA-N 441.322 3.867 0 40 IHAB Cc1c(CCC(=O)N2CCC(C(=O)O)CC2)c(=O)oc2cc3oc4c(c3cc12)CCCC4 2157452 BMLWBZAVQVXKPY-UHFFFAOYSA-N 437.492 3.982 0 40 IHAB biogenic O=C(CCNS(=O)(=O)c1cccc(C(F)(F)F)c1)OCc1nc2ccccc2s1 2641021 WRCWNCQWXZPXAV-UHFFFAOYSA-N 444.456 3.727 0 40 IHAB COc1ccc(NC(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1Cl 3220454 QVHYIYGCSJMVPQ-UHFFFAOYSA-N 449.894 3.783 0 40 IHAB O=C(Nc1nnc(SCc2ccc(F)cc2)s1)[C@H]1CC(=O)N(Cc2ccccc2)C1 3347448 CRHQHLMRJUQWJD-INIZCTEOSA-N 442.541 3.957 0 40 IHAB O=C1N[C@H](c2cccc(Br)c2)[C@@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1 4018790 FXQFDOMPUROYRM-ZOWXZIJZSA-N 449.248 3.615 0 40 IHAB COc1ccc(NC(=S)N(CCCO)Cc2cc3c(C)cc(C)cc3[nH]c2=O)cc1 4127436 QDWKWULVCPAHHR-UHFFFAOYSA-N 425.554 3.735 0 40 IHAB O=C(c1cc(Br)ccc1OCc1ccccc1)N1CCN(C(=O)C2CC2)CC1 8935807 NVEWTSLRCMXSLJ-UHFFFAOYSA-N 443.341 3.723 0 40 IHAB CCOc1ccccc1NC(=O)COC(=O)c1ccccc1SCC(=O)N1CCCC1 9351298 FHHFOBKYAJVIHW-UHFFFAOYSA-N 442.537 3.595 0 40 IHAB O=C(COCc1cc(-c2ccc3c(c2)OCO3)on1)Nc1ccccc1Br 9436186 PLUUGFGBBKACBK-UHFFFAOYSA-N 431.242 3.988 0 40 IHAB COC(=O)CCSCC(=O)N1N=C(c2cccs2)C[C@H]1c1cccc(OC)c1OC 9444056 KAKWRIXTFMGIQL-INIZCTEOSA-N 448.566 3.739 0 40 IHAB O=C(CSc1nnc(NC(=O)CCc2ccccc2)s1)Nc1ccc2c(c1)OCO2 9600165 MKTZKNSBVGUZQW-UHFFFAOYSA-N 442.522 3.569 0 40 IHAB CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O 10748450 ZVVCGFNPWQUFIO-YGFZKVPJSA-N 443.544 3.571 0 40 IHAB CCCn1c(C)cc(-c2csc(NC(=O)c3cccc(S(=O)(=O)NC)c3)n2)c1C 10943018 XAGQEEMURNPPDY-UHFFFAOYSA-N 432.571 3.799 0 40 IHAB COc1cc(C(=O)Nc2nnc(-c3ccc(Br)s3)o2)cc(OC)c1OC 11695443 AMGJWDOLSNABHQ-UHFFFAOYSA-N 440.275 3.839 0 40 IHAB CCn1c(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)nc2c(c1=O)S[C@H](C)C2 11726498 JBDWVQRHGHGPKV-SNVBAGLBSA-N 445.488 3.929 0 40 IHAB O=C(CCCSc1ccc(NC(=O)c2ccco2)nn1)Nc1ccc2c(c1)OCCO2 11794309 FJHYDVUDUSWZGU-UHFFFAOYSA-N 440.481 3.604 0 40 IHAB CCCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3cc(Cl)ccc3C)cc21 12180630 KUPDNOHSPXTQKZ-UHFFFAOYSA-N 442.990 3.942 0 40 IHAB O=C(Nc1ccccc1)c1c(F)c(F)c2c(c1F)N(Cc1cccnc1)CCS2(=O)=O 12324492 YPDVHKMYDWQROQ-UHFFFAOYSA-N 447.438 3.545 0 40 IHAB CCOc1ccc(NC(=O)CN2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1OCC 12326858 OYSCWCCEFPWDGV-SFHVURJKSA-N 425.529 3.773 0 40 IHAB Cn1c(=O)c2c(nc(Oc3ccc(Cl)cc3)n2Cc2ccc(Cl)cc2)n(C)c1=O 12427891 QTSWDEHXUINAMX-UHFFFAOYSA-N 431.279 3.581 0 40 IHAB COC(=O)c1cccc(NC(=O)CSc2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)c1 12494156 AFATUSHZTLQYHW-NSHDSACASA-N 443.550 3.627 0 40 IHAB CCCN(CC(=O)Nc1cc(C)nn1-c1ccc(C)cc1)Cc1nnc(-c2ccco2)o1 12567422 LYJACJBSPFWWFS-UHFFFAOYSA-N 434.500 3.983 0 40 IHAB COc1ccc(C(=O)CCC(=O)N2CCC(c3noc(-c4ccncc4)n3)CC2)cc1C 12669409 HUMFCOVSANXILS-UHFFFAOYSA-N 434.496 3.818 0 40 IHAB COc1ccc(C(=O)C2CCN(C(=O)[C@H]3CC(=O)N(c4cccc(C)c4C)C3)CC2)cc1 12739551 ZHNKOFQODCODQB-NRFANRHFSA-N 434.536 3.786 0 40 IHAB COc1ccc(NCC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cc1Cl 12786585 AUEHHRBQDCNDTO-UHFFFAOYSA-N 425.798 3.999 0 40 IHAB CN(Cc1ccc2c(c1)OCCO2)C(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1 12795661 ZUZCYZDHEBEYLW-UHFFFAOYSA-N 432.476 3.639 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3nc4c(s3)C[C@@H](C)CC4)C2)s1 12858230 HVSHUQRIZMCHFY-JSGCOSHPSA-N 439.628 3.677 0 40 IHAB O=C(COc1ccc(F)c(Cl)c1)N1CCN(C(=O)c2ccc3ccccc3c2)CC1 13019901 OKNWADYFNIHBNC-UHFFFAOYSA-N 426.875 3.996 0 40 IHAB Cc1ccc(N2C(=O)C[C@@H](C(=O)Nc3cccc(-n4cnnn4)c3)[C@H]2c2cccs2)cc1 13062986 YIYIFXGTUDAHMS-KNQAVFIVSA-N 444.520 3.765 0 40 IHAB CN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 13097233 YYTLORQNANLDSQ-UHFFFAOYSA-N 440.487 3.765 0 40 IHAB CCNC(=O)NC(=O)[C@@H](Sc1nnc(Cc2cccs2)n1C1CC1)c1ccccc1 13114745 AIJUSOXTQDQHFG-SFHVURJKSA-N 441.582 3.944 0 40 IHAB CCCCC(=O)OCC(=O)N1N=C(c2c[nH]c3ccccc23)[C@H](O)[C@H]1c1ccc(OC)cc1 13122289 DULZPFDNCTYXTA-RPBOFIJWSA-N 449.507 3.558 0 40 IHAB CCOc1ccccc1CCCNC(=O)[C@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O 13675928 ZKXGMPCOAGWCEV-IBGZPJMESA-N 432.586 3.606 0 40 IHAB CCn1nc(C)cc1C(=O)N(C[C@@H]1CCCO1)c1nc2c(OC)ccc(OC)c2s1 13699903 KIKHSSNITJGXIZ-AWEZNQCLSA-N 430.530 3.664 0 40 IHAB COc1ccccc1N1CCN(C(=O)CCc2ncc(-c3c(F)cccc3F)o2)CC1 14204424 ILMCPHLJNZMMKJ-UHFFFAOYSA-N 427.451 3.910 0 40 IHAB O=C(NCc1cccnc1)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 15434399 QVENSBFLHWXJGB-UHFFFAOYSA-N 446.326 3.575 0 40 IHAB CS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3cccc(Br)c3)c2)nn1 15880806 JXFQHBUWGMYNET-UHFFFAOYSA-N 432.299 3.562 0 40 IHAB COc1ccc(NC(=O)Cn2nc(-c3cccc(OC)c3)n(-n3cccc3)c2=S)cc1 16778077 XVOCYOFNQHLOJR-UHFFFAOYSA-N 435.509 3.850 0 40 IHAB COc1cccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@H]4C3=O)c2)c1 17988331 BOFQNRMVJLPPBU-IPHXSNPTSA-N 435.476 3.661 0 40 IHAB CC(C)n1cc(C(=O)N2CC[C@@](Cc3cccc(-c4ccc(F)cc4)c3)(C(N)=O)C2)cn1 19454829 LHXNZZQMQHBHAA-VWLOTQADSA-N 434.515 3.830 0 40 IHAB O=C(CCCOc1cccc2cccnc12)N1CCO[C@@H](c2ccc(-c3cn[nH]c3)cn2)C1 19692892 YAYXGDQXKONKLT-HSZRJFAPSA-N 443.507 3.779 0 40 IHAB Cc1noc(C)c1CC(=O)N1CCC([C@H]2CC=CCN(Cc3ccc(F)cc3)C2=O)CC1 19696253 GDPFAOUCXLOJRE-JOCHJYFZSA-N 439.531 3.817 0 40 IHAB COc1ccc(CCC(=O)N2CCCC[C@@H]2c2nc(C)c3c(n2)N(CC2CC2)C(=O)C3)cc1 19739688 JAMOCVWCGCQZPF-JOCHJYFZSA-N 448.567 3.779 0 40 IHAB O=C(Nc1nccs1)c1cc([C@H]2CCN(C(=O)Cc3ccccn3)C2)nc2ccccc12 19754390 YHFNIMDDFMLQOO-INIZCTEOSA-N 443.532 3.897 0 40 IHAB CCCc1cc(C(=O)N2CCC[C@@H]2c2ncc(C(=O)Nc3ccccc3OC)c(C)n2)no1 19755423 KASMAFXVHYNATP-HXUWFJFHSA-N 449.511 3.964 0 40 IHAB Cc1n[nH]c(C)c1CC(=O)N1CC[C@H](c2cc(C(=O)NCC(C)C)c3ccccc3n2)C1 19762642 NGVDIEMWUICGRZ-SFHVURJKSA-N 433.556 3.519 0 40 IHAB O=C(Nc1ccc(F)cc1F)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2Cl)C1 19859839 AKHRSFIYTIWCNO-CYBMUJFWSA-N 428.888 3.799 0 40 IHAB CCc1ccc(N(CC(=O)NCc2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 20105098 HLXQNWAIHYUHCX-UHFFFAOYSA-N 426.513 3.900 0 40 IHAB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)N(C)Cc2ccc(Cl)cc2)CC1 20485303 YGQPFTJYBHNFSY-UHFFFAOYSA-N 434.989 3.849 0 40 IHAB CCc1ccc(N2C[C@H](C(=O)N[C@H](c3ccc(Cl)cc3)c3nccn3C)CC2=O)cc1 21600986 RHMWNJIFCCSWJF-XMSQKQJNSA-N 436.943 3.895 0 40 IHAB COc1ccc2cc(CN(C)C(=O)CN3C(=O)[C@@H](C)N(c4ccccc4)C3=O)ccc2c1 21932409 RFEYDVMYEAXQDB-QGZVFWFLSA-N 431.492 3.664 0 40 IHAB O=C(Nc1ccccc1C(=O)NCc1ccc(CN2CCOCC2)cc1)c1ccccc1 22694524 ATNYFNNPSYTWRN-UHFFFAOYSA-N 429.520 3.701 0 40 IHAB O=C(CSc1nnc(N2CCN(c3ccc(F)cc3)CC2)s1)Nc1ccc(F)cc1 23139803 ZDELPMQOGVLLMW-UHFFFAOYSA-N 447.536 3.874 0 40 IHAB C[C@@H]1CN(c2ccc(C(=O)Nc3ccc(C(=O)Nc4cccnc4)cc3)cn2)C[C@@H](C)O1 24910206 PVDQSODYZVEVAY-IAGOWNOFSA-N 431.496 3.595 0 40 IHAB O=C(Nn1cnc2ccccc21)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 27034000 YYNCYKSEVVNIAB-UHFFFAOYSA-N 432.933 3.638 0 40 IHAB CCNc1nc(SCC(=O)NC(=O)c2ccc(OC(F)F)cc2)nc2ccccc12 31766422 VHCLLYUZTVFMBM-UHFFFAOYSA-N 432.452 3.712 0 40 IHAB Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@H]3c3cccnc3)CC2)c(C)c1 31941849 JVRHFRKSCZUQSD-JOCHJYFZSA-N 441.597 3.771 0 40 IHAB CC(=O)Nc1cc(NC(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)ccc1F 32458243 PELADRULMKEKKB-LBPRGKRZSA-N 434.265 3.538 0 40 IHAB CCc1c(C(=O)Nc2ccc(S(=O)(=O)N(CC)CC)cc2)cnn1-c1ccc(F)cc1 32796722 JCPHNZXMLGUZBH-UHFFFAOYSA-N 444.532 3.857 0 40 IHAB C[C@@H](NC(=O)c1ccccc1F)c1nnc(SCC(=O)Nc2cccc(Cl)c2)n1C 33664163 NFJBRTNQHYGTSW-GFCCVEGCSA-N 447.923 3.829 0 40 IHAB CCCn1ncc2c(C(=O)Nc3nn(Cc4cnn(C)c4)cc3Cl)cc(C3CC3)nc21 36616146 NMDZFDVASDOSEF-UHFFFAOYSA-N 438.923 3.603 0 40 IHAB COc1ccc(CNC(=O)c2nnn(-c3ccc(C)cc3)c2-c2cccnc2)cc1OC 38487472 LUFBOCBSPWSHGR-UHFFFAOYSA-N 429.480 3.585 0 40 IHAB C[C@H]1C[C@H](C)CN(CCCNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)C1 40118861 LDIYRRLRBMDUFC-IRXDYDNUSA-N 435.615 3.647 0 40 IHAB COc1ccc(C2(CNC(=O)C(=O)Nc3ccc(N4CCCC4=O)c(C)c3)CCCC2)cc1 49521537 DVPQSADYSJDFES-UHFFFAOYSA-N 449.551 3.697 0 40 IHAB Cc1ccc(C(=O)NC[C@@H]2CCN(c3cc(Cl)ccc3C)C2)cc1NS(C)(=O)=O 60366168 WXSYRXSJBAQJOQ-INIZCTEOSA-N 435.977 3.585 0 40 IHAB O=C(NCCc1cnn(-c2ccccc2)c1)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 60501309 JDFMMAVBZQHIPB-GOSISDBHSA-N 443.473 3.861 0 40 IHAB CCN1CC[C@@]2(CCC1=O)C[C@@H](NC(=O)c1ccc3[nH]c(C)nc3c1)c1ccccc1O2 72327841 XBJRYFWVSJHDDF-BWKNWUBXSA-N 432.524 3.896 0 40 IHAB Cc1cc(Cc2ccccc2Cl)cc([C@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)n1 72354255 HNXLHAHUMJDYFZ-IBGZPJMESA-N 444.988 3.936 0 40 IHAB COc1ccc(CNC(=O)CCCC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 79482805 FYUSCHZCJIIYFY-UHFFFAOYSA-N 434.540 3.764 0 40 IHAB COC(=O)c1ccc(-c2c(Nc3ccc(C)cc3C)oc3c2c(=O)n(C)c(=O)n3C)cc1 95116747 ZXNHHZOMXFRONT-UHFFFAOYSA-N 433.464 3.644 0 40 IHAB CS(=O)(=O)[C@](Cl)(I)C(=O)c1ccc(Cl)cc1Cl 96518250 ISLDDYPAMSGCBK-SECBINFHSA-N 427.474 3.548 0 40 IHAB CCOCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)C(C)C 223556653 GOWZJYKBFMPZDE-HSZRJFAPSA-N 426.557 3.964 0 40 IHAB CCc1ccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)cc1 224025268 IVCAXRQUUIXWDD-UHFFFAOYSA-N 444.597 3.931 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)cc1C(=O)N1CCCC1 224871093 HCHFEQZBAZQNRW-UHFFFAOYSA-N 444.431 3.631 0 40 IHAB C[C@H]1CN(C(=S)S[C@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)C[C@@H](C)O1 227003504 ODOLBJNOHBQOGW-RBZYPMLTSA-N 433.382 3.753 0 40 IHAB COc1ccc(OC)c(NC(=O)[C@@H]2C[C@@H]3CCCN3[C@]23C(=O)Nc2c(C)cc(C)cc23)c1 229657582 LLXSEQNQXCDXQL-GIIVHJRKSA-N 435.524 3.591 0 40 IHAB CC(C)NC(=O)C1(Cc2ccc(-c3ccncc3)cc2)CCN(C(=O)[C@@H]2CCCO2)CC1 257220761 DMAMNUWWTIMXSU-QHCPKHFHSA-N 435.568 3.604 0 40 IHAB COc1ccc(NC(=O)CN2CCC(c3cncc(Nc4cccc(C)n4)n3)CC2)cc1 257223087 DVUZBCDPJCCSPG-UHFFFAOYSA-N 432.528 3.750 0 40 IHAB O=C1CO[C@]2(CCN(C(=O)C3(c4ccccc4F)CCCC3)C2)CN1Cc1ccccc1 257234136 GSHKMJBFWCGOJO-VWLOTQADSA-N 436.527 3.668 0 40 IHAB Cc1cc(C)cc(N(CCCC(=O)N[C@H](C)COc2ccccc2C)S(C)(=O)=O)c1 260511945 TVSDLQXNMFZESL-HXUWFJFHSA-N 432.586 3.742 0 40 IHAB Cc1ccc(NC(=O)C(=O)NCCc2ccc(-c3ccoc3)s2)cc1N1CCCC1=O 390831741 UMERSKBQEOBPDI-UHFFFAOYSA-N 437.521 3.741 0 40 IHAB O=C(COC(=O)CCCCCN1C(=O)c2ccccc2C1=O)Nc1ccc(Cl)cc1 408665309 RJOAQENVRCNLBP-UHFFFAOYSA-N 428.872 3.678 0 40 IHAB CCCCc1ccc(NC(=O)CN(c2ccc3c(c2)OCCO3)S(=O)(=O)CC)cc1 408706285 ZGYHVRSEFOUPHF-UHFFFAOYSA-N 432.542 3.595 0 40 IHAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCCc2ccc(Cl)cc2)cc1 408710370 ZNAWFIVGXRKDFH-UHFFFAOYSA-N 449.938 3.876 0 40 IHAB CCOc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(F)cc3)[C@H]2c2ccc(C)cc2)cc1 409061934 KDVBRJJRNFFMLV-OCZZZQCFSA-O 446.502 3.549 0 40 IHAB CN1CCN(c2cnn(-c3ccc(F)cc3F)c(=O)c2Cl)C[C@H]1Cc1ccccc1 569719409 GNDOZVSSBBCYQM-QGZVFWFLSA-N 430.886 3.527 0 40 IHAB C[C@@]1(O)CCN(C(=O)NCc2ccccc2)[C@@H](c2cccs2)[C@@H]1NC(=O)C1CCCC1 604383092 HZXNPMVETIJGJT-AWRGLXIESA-N 441.597 3.831 0 40 IHAB biogenic,in-vitro COc1ccc([C@@H]2CCCN2C(=O)c2cc(=O)c(OCc3ccccc3)c[nH]2)c(OC)c1 604418777 BFIUPYOSWBIRQG-NRFANRHFSA-N 434.492 3.948 0 40 IHAB Cc1cc(Br)ccc1C(=O)N1CCN(C(=O)N(C)Cc2ccccc2)CC1 614279544 PREBUGLMICUPAZ-UHFFFAOYSA-N 430.346 3.767 0 40 IHAB COC(=O)c1c(NC(=O)COc2ccc(C(C)C)cc2)sc2c1[C@@H](C(=O)OC)CC2 729947 HXCSDTDADANXMG-HNNXBMFYSA-N 431.510 3.878 0 40 IHAB Cc1ccc(C)c(OCC(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)c1 939891 AGBKZABHPLNTAX-UHFFFAOYSA-N 429.498 3.727 0 40 IHAB COc1ccc(-c2nc3ccccc3c(=O)n2-c2c(C)n(C)n(-c3ccccc3)c2=O)cc1 1240321 PCYFWORPCCGVSM-UHFFFAOYSA-N 438.487 3.859 0 40 IHAB Cn1c(CNc2nc(-c3ccccc3)cs2)nnc1SCC(=O)N1CCCCC1 1340084 GIHHREVDBOJMEW-UHFFFAOYSA-N 428.587 3.655 0 40 IHAB Cc1cccc(CSCCNC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)c1 2085334 WHGIZONOQQKYNX-UHFFFAOYSA-N 441.018 3.772 0 40 IHAB CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)N(CCc2ccc(OC)cc2)C1=S 2230801 ZFPIAMIUSLPFTJ-LJQANCHMSA-N 445.972 3.738 0 40 IHAB COc1ccc(OCCC(=O)OCC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)cc1 3314629 GOIZDNBXAXKSTC-UHFFFAOYSA-N 442.493 3.778 0 40 IHAB CCCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nc2cc(Cl)ccc2c1=O 3370567 YLGBVUZEBBOQTE-UHFFFAOYSA-N 431.901 3.919 0 40 IHAB CCN(CC(=O)Nc1ccc(OC)cc1)CC(=O)Nc1ccc(Br)c(C)c1 3373721 OBNCCZLHUIVGLR-UHFFFAOYSA-N 434.334 3.665 0 40 IHAB COc1ccc(N2C(=O)CC[C@@H](C(=O)N3CCCC3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 4756649 QCFULWBMHFQTRJ-YKSBVNFPSA-N 438.524 3.819 0 40 IHAB COc1ccc(CC(=O)N(Cc2nc(-c3ccc(OC)c(OC)c3)no2)C(C)C)cc1 4943593 BYLCWUWRXHOQDY-UHFFFAOYSA-N 425.485 3.742 0 40 IHAB CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(OC)c(OC)c2)CC1 6077395 YJCOKYTUOVCNNV-UHFFFAOYSA-N 431.920 3.668 0 40 IHAB CC[C@@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(C)cc2)n1)c1ccccc1 6631802 OVCTVPKUAVEXPK-QFIPXVFZSA-N 446.555 3.519 0 40 IHAB O=C(Nc1nnc(S(=O)(=O)N2CCCc3ccccc32)s1)c1ccc(Cl)cc1 8588063 BTMZOHUADCNNBG-UHFFFAOYSA-N 434.930 3.585 0 40 IHAB O=C(CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O)c1ccc(Br)s1 8719112 RLPRVCRVPNUULJ-IBGZPJMESA-N 433.327 3.867 0 40 IHAB Cc1cc(NC(=O)CSc2nnc([C@H](C)N3CCCCC3)n2-c2ccc(F)cc2)no1 8746865 CBSKSZKCACTTPT-HNNXBMFYSA-N 444.536 3.981 0 40 IHAB Cc1cc(C(=O)CN2C(=O)C(=O)N(CCC3=CCCCC3)C2=O)c(C)n1Cc1ccco1 8896101 OEFIPKFPSVNTGN-UHFFFAOYSA-N 437.496 3.610 0 40 IHAB COc1cc(C(=O)N2CCc3ccccc32)cc(CN2C(=O)c3ccccc3C2=O)c1OC 9120163 WWOJRWPZQSNWFF-UHFFFAOYSA-N 442.471 3.703 0 40 IHAB O=C(CSc1nnc(CN2CCCC2)n1Cc1ccccc1)c1ccc2c(c1)OCO2 9166814 UNBGCNGVQYUPHZ-UHFFFAOYSA-N 436.537 3.626 0 40 IHAB COc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2ccc(C)c(Cl)c2)cc1 9236694 WWTMXZWPJKGCPG-ROUUACIJSA-N 429.933 3.955 0 40 IHAB COc1ccc([C@@H]2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2c2nnc(C)s2)cc1 9348867 MGEBWTKKCVQFLO-GOSISDBHSA-N 435.461 3.720 0 40 IHAB COc1cccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NCCCn4ccnc4)cc3N2)c1 9410672 TZBVTOJRWCGAKK-SJLPKXTDSA-N 448.449 3.569 0 40 IHAB COc1ccc(CCc2nnc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C)cc4)C3)s2)cc1 9426503 GOIQPODCOCLKQX-QGZVFWFLSA-N 436.537 3.632 0 40 IHAB Cc1n[nH]c(=O)c2c(NC(=O)COC(=O)C3(c4ccc(Cl)cc4)CCCC3)oc(C)c12 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Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2)cc1I 13005166 PNFQEFMSJXJQRE-QGZVFWFLSA-N 434.277 3.843 0 40 IHAB CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)N(C)CC(=O)Nc2cccc(F)c2)CC1=O 13009309 BDLKAVKORHZDKA-IAGOWNOFSA-N 425.504 3.789 0 40 IHAB C[C@H](OC(=O)c1ncc(Cl)c(Cl)c1Cl)C(=O)Nc1ccc2c(c1)OCCO2 13040941 VOZDNJDOUSDBPT-QMMMGPOBSA-N 431.659 3.997 0 40 IHAB COc1ccc([C@@H](c2nnnn2C(C)(C)C)N2CCN(c3cccc(C)c3C)CC2)cc1 13503983 LYJDPPVTFFBVBJ-QHCPKHFHSA-N 434.588 3.965 0 40 IHAB COCCN1C(=O)C[C@H](C(=O)O)[C@@H]1c1ccc(OCc2cccc(Cl)c2)c(OC)c1 13721501 INVDLUJUAWTDPB-UWJYYQICSA-N 433.888 3.548 0 40 IHAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc(Oc3ccccc3)c2)cc1 14240762 JADQNMIXZLUPPZ-INIZCTEOSA-N 426.494 3.793 0 40 IHAB CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C(=O)N(C)C3CCCCC3)cc2)cc1 14242082 SLSAMRTXWWPDDQ-UHFFFAOYSA-N 443.569 3.528 0 40 IHAB CCc1cccc(CC)c1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 15960923 JVJYPPUOXWBHRV-UHFFFAOYSA-N 436.961 3.738 0 40 IHAB COc1ccc(OC)c(C2=NO[C@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)c2ccccc2)c1 15972766 RXTIMXBQPXTKHI-OFVILXPXSA-N 428.444 3.785 0 40 IHAB CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Br)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 15989524 XMPMGJJQSQPGEC-IYWMVGAKSA-N 437.293 3.554 0 40 IHAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)c3cncc(Br)c3)cc2)C1 16016587 QYHUYHTYQNBSJQ-CYBMUJFWSA-N 438.347 3.517 0 40 IHAB CC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2ccc(OCC(C)C)cc2)cc1 16575330 LNGCQESPICCFKB-UHFFFAOYSA-N 444.582 3.681 0 40 IHAB Cc1ccc(N2C[C@@H](C(=O)N3CCC4(CC3)CC(=O)c3ccccc3O4)CC2=O)cc1C 16689628 MDAFYVWYEAWWBH-IBGZPJMESA-N 432.520 3.683 0 40 IHAB COc1ccc(-c2cccc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)c2)nn1 16960165 JEQRTSOHMARIRI-UHFFFAOYSA-N 425.388 3.852 0 40 IHAB COc1cccc(CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)c2cc(N(C)C)nc(C)n2)c1 19240869 JVAXCKBGZVZHMJ-QHCPKHFHSA-N 443.551 3.984 0 40 IHAB COc1ccc(-c2noc([C@H]3CN(C(=O)COc4ccccc4C(C)C)CCO3)n2)cc1 19453391 LKBGQROLYDECSM-OAQYLSRUSA-N 437.496 3.848 0 40 IHAB Cc1ccc(CN2C(=O)CCc3c(C)nc([C@H]4CCCN4C(=O)c4cccnc4)nc32)cc1 19743145 HFZOUNYSQJANHV-JOCHJYFZSA-N 441.535 3.945 0 40 IHAB Cc1cnc2c(C(=O)N3CCC([C@@H]4CCCCN(Cc5ccccc5)C4=O)CC3)cnn2c1 19743943 KVTSMRNCMIMCRJ-QFIPXVFZSA-N 445.567 3.719 0 40 IHAB COc1ccccc1C(=O)N1CCC[C@H]1c1ncc(C(=O)NCc2ccc(F)cc2)c(C)n1 19755007 JBCRWYWDXLBWPQ-NRFANRHFSA-N 448.498 3.840 0 40 IHAB CNC(=O)c1cc([C@H]2CCN(CC3=Cc4cc(OC)ccc4OC3)C2)nc2ccccc12 19761181 GAQSSGFNKIVUAV-SFHVURJKSA-N 429.520 3.868 0 40 IHAB COc1ccc([C@H]2N=C3NCN(C4CCCCC4)CN3c3nc4ccccc4n32)c(OC)c1 19960406 LFVHQLXKAGUIJU-QHCPKHFHSA-N 446.555 3.929 0 40 IHAB O=C(OCC1CCCCC1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 21365444 OCFCDRFWXBVRNZ-UHFFFAOYSA-N 436.357 3.751 0 40 IHAB C[C@](CNS(=O)(=O)c1ccccc1)(c1ccccc1)N1CCN(Cc2ccccc2)CC1 22035987 GCQXXVXUSMINJH-SANMLTNESA-N 449.620 3.698 0 40 IHAB CCCC[C@@H](c1nnnn1Cc1ccc(OC)cc1)N1CCN(Cc2ccccc2)CC1 22929445 SBHWSRKBRYGJTH-DEOSSOPVSA-N 434.588 3.779 0 40 IHAB Cc1c(C(=O)OCc2cc(=O)oc3cc(O)ccc23)cnn1-c1ccc(C(F)(F)F)cn1 23568832 GYKJFQNRLBVKFU-UHFFFAOYSA-N 445.353 3.764 0 40 IHAB COc1ccc(C(=O)N[C@@H]2CCOc3ccccc32)cc1S(=O)(=O)N1CCCCCC1 24646360 KGKPCJOUFWOERP-LJQANCHMSA-N 444.553 3.514 0 40 IHAB CCOC(=O)c1c(NC(=O)CCCn2cnc3c(C)cccc3c2=O)sc(C)c1C 24691166 WIMZTZUVNNCMJL-UHFFFAOYSA-N 427.526 3.979 0 40 IHAB Cc1cc(NC(=O)COC(=O)C2(CC(=O)NC(C)C)CCCC2)ccc1Br 24985147 AUNBYMQWNQBHRO-UHFFFAOYSA-N 439.350 3.714 0 40 IHAB Cc1ccc(C)c(-n2ccnc2SCc2cccc(S(=O)(=O)N3CCOCC3)c2)c1 26409026 DMZJSJNPPXGZCM-UHFFFAOYSA-N 443.594 3.802 0 40 IHAB O=C(CSc1nnc(-c2cccs2)n1C1CC1)N[C@@H]1CCN(Cc2ccccc2)C1 27977680 RWQDACRHWPDSOT-QGZVFWFLSA-N 439.610 3.824 0 40 IHAB CCCOc1ccc(C(=O)NCc2ccc(S(=O)(=O)N(C)C)s2)cc1OCCC 29775131 KJHOHUHWRNDQBH-UHFFFAOYSA-N 440.587 3.506 0 40 IHAB COc1ccc(NC(=O)[C@H](OC(=O)[C@H]2CCCN(C(C)=O)C2)c2ccccc2)cc1Cl 29895842 VEAYJGHPBUJHFO-LAUBAEHRSA-N 444.915 3.830 0 40 IHAB COc1cc2[nH]c(CN3CCC(C(=O)c4ccc(C)cc4C)CC3)nc(=O)c2cc1OC 32825543 DSNWKXXZPXONGX-UHFFFAOYSA-N 435.524 3.652 0 40 IHAB Cc1nc(SCC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)sc1CC(N)=O 32871353 PWTPUXFIQRCZAQ-UHFFFAOYSA-N 435.958 3.801 0 40 IHAB COC(=O)c1ccc2c(=O)n(CC(C)C)c(SCC[S@](=O)c3ccccc3)nc2c1 32938029 IRPFKKAUDCBNTO-SSEXGKCCSA-N 444.578 3.739 0 40 IHAB O=C(/C=C/c1ccccc1)N1CCC(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)CC1 32962472 BZFWOZVBYNRWFN-MZXMXVKLSA-N 443.591 3.796 0 40 IHAB COc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2F)cc1S(=O)(=O)NC(C)(C)C 32983407 CRGXJLCJUPIELT-LBPRGKRZSA-N 426.485 3.541 0 40 IHAB COC(=O)C1CCN(C(=O)c2cn(-c3ccc(F)cc3)nc2-c2cccc(OC)c2)CC1 32990866 HLLQJMSVNHDZHF-UHFFFAOYSA-N 437.471 3.712 0 40 IHAB CCOc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCCCC3)C2=O)c(OCC)c1 33457893 CLADWRXWZVIPJS-UYRXBGFRSA-N 432.542 3.923 0 40 IHAB CC(C)[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1)c1ccc2c(c1)OCCO2 40058800 VKIRPIGATCIZFM-LAUBAEHRSA-N 428.554 3.885 0 40 IHAB COC(=O)c1cccc(C(=O)Nc2nc(-c3ccc(CNC(C)=O)s3)c(C)s2)c1 40133117 QPHPISVDVYVVPG-UHFFFAOYSA-N 429.523 3.855 0 40 IHAB Cc1ccc(-c2cc(C(=O)NCC(=O)N(C)Cc3ccccc3)c3c(C)noc3n2)s1 48279843 LZIKCMQEVYOJSM-UHFFFAOYSA-N 434.521 3.957 0 40 IHAB CCOc1ccccc1NC(=O)Nc1nnc(-c2cccc(S(=O)(=O)C(C)C)c2)o1 49025964 YWYREULHUOSDJH-UHFFFAOYSA-N 430.486 3.961 0 40 IHAB CC[C@@H](Sc1nc2cc(OC)c(OC)cc2c2nc(C)nn12)C(=O)NC1CCCCC1 49421467 XZBUZYWNQOJIKZ-LJQANCHMSA-N 443.573 3.923 0 40 IHAB Cc1cc(-n2c(=O)c3sccc3n(CC(=O)Nc3cccc(Cl)c3)c2=O)ccc1F 57494423 QQUGSASDDWBEJS-UHFFFAOYSA-N 443.887 3.954 0 40 IHAB O=C1CCCN1c1ccc(Cn2c(=O)n(-c3cccc(F)c3)c(=O)c3sccc32)cc1 67258275 YROXKWWZKRNKID-UHFFFAOYSA-N 435.480 3.528 0 40 IHAB CCc1ccccc1NC(=O)Cn1c(-c2ccc(Cl)cc2)nc(C)c(CCO)c1=O 67300506 TYLXUOJEGKMSRC-UHFFFAOYSA-N 425.916 3.608 0 40 IHAB CSc1nc2cc(C)n(CC(=O)NCc3ccc(C)c(C)c3)c2c(=O)n1CC(C)C 67320163 UDDAVUGMYZLFOU-UHFFFAOYSA-N 426.586 3.818 0 40 IHAB CCc1nnc(Nc2cncc([C@H]3CCCN3Cc3c(OC)cccc3OC)n2)s1 72376346 YYDVQIRIDPPJDD-MRXNPFEDSA-N 426.546 3.988 0 40 IHAB COc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)c(OC)c1 95483637 JHOANXJVAKMHAI-VJBWXMMDSA-N 430.460 3.755 0 40 IHAB O=C(C1=NO[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12)c1ccc2ccccc2c1 100355305 FWCNVJZIFZZVKR-XLIONFOSSA-N 449.260 3.729 0 40 IHAB Cc1cc(Cl)c2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc(C)c3C)C(=O)[C@@H]2[C@@H]2CCCN21 101275040 DATLZRAUYJOGKE-PBQROFAYSA-N 449.938 3.696 0 40 IHAB NC1=Nc2nc3ccccc3n2[C@@H](C2=C(N3CCOCC3)/C(=C/c3ccccc3)CC2)N1 101373622 REDKNEXDARFHQB-NGIFANIDSA-N 426.524 3.548 0 40 IHAB Cc1cccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1C 102086903 YHXASPCDONLQAN-SATZIVDQSA-N 440.543 3.906 0 40 IHAB CCOc1ccccc1CCCNC(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O 222635872 FKGZSYMJYZHSRY-UHFFFAOYSA-N 446.613 3.997 0 40 IHAB CN(Cc1ccc2c(c1)OCCO2)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1 224075513 HXXRRQOEJHXAIO-UHFFFAOYSA-N 438.505 3.531 0 40 IHAB CC(C)(Cc1ccccc1)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 225558253 GWLGISDHUIEEQG-GOSISDBHSA-N 434.989 3.878 0 40 IHAB CC(=O)N[C@H]1CC[C@](CNC(=O)C(C)(C)c2ccccc2F)(c2ccccc2)CC[C@@H]1O 257212752 CEUCFCXMOAWODN-FXSPECFOSA-N 440.559 3.597 0 40 IHAB Cc1cc(Nc2ncccc2C)cc([C@@H]2CN(C(=O)C3CCN(C(C)C)CC3)CCO2)n1 257239871 HRDUATRNIUQJSE-QHCPKHFHSA-N 437.588 3.857 0 40 IHAB COc1ccc2c(c1)[C@H]1OCC3(CCN(C(=O)C4CCOCC4)CC3)C[C@@H]1C(C)(C)O2 257242252 IBRDWBLLSKVDMY-RBBKRZOGSA-N 429.557 3.979 0 40 IHAB COc1ccccc1Cc1cc(C(=O)N2CCC[C@H]2c2cncc(-c3ncc[nH]3)n2)ccn1 257278293 OBQYUJMMIPSRRG-QFIPXVFZSA-N 440.507 3.838 0 40 IHAB CCCn1c(=O)oc2cc(NC(=O)CN3C[C@H]4CCC[C@H](Cc5cccnc5)[C@H]4C3)ccc21 257290289 QCHGSXWONSRQTC-KCZVDYSFSA-N 448.567 3.929 0 40 IHAB O=C(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1cc(-n2cccn2)ccc1Cl 257291594 QHSWTLBEFCZAKQ-UHFFFAOYSA-N 429.807 3.663 0 40 IHAB CNc1nc([C@@H]2CCN(C(=O)c3ccccc3-c3ccccc3)C2)nc2c1CN(C)CC2 257296671 RDVNIVWJCGNVDA-LJQANCHMSA-N 427.552 3.803 0 40 IHAB Cc1ccc(CC(=O)N2CCC[C@H](c3nc(C)c(CC(=O)N4CCCC4)c(C)n3)C2)cc1 257311373 UJDBZCUSARFRAI-QFIPXVFZSA-N 434.584 3.515 0 40 IHAB O=C(c1cc(Br)ccc1Cl)N1CCC(n2cnc3ncccc3c2=O)CC1 390829875 HFPOGOIBYTXYMJ-UHFFFAOYSA-N 447.720 3.685 0 40 IHAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)ccc1OCc1ccc2ccccc2c1 408592371 MGUWGTVTHKEAQG-UDWIEESQSA-N 446.459 3.795 0 40 IHAB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1 408602719 IVPKVIGAEKKMEI-MRXNPFEDSA-N 426.494 3.793 0 40 IHAB COc1ccc(C(=O)N2CCC(C(=O)N3CCN(c4cccc(Cl)c4)CC3)CC2)cc1 409052504 UGFGGCNIULDSQQ-UHFFFAOYSA-N 441.959 3.550 0 40 IHAB COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)c(OC)c1 409358513 LJYFDTUCPWBNMY-VXLYETTFSA-N 426.494 3.996 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)cc1Cl 515516642 HNXMXBKGZIWOOH-UHFFFAOYSA-N 446.878 3.814 0 40 IHAB COc1ccc([C@H]2CCCN2C(=O)c2cc(=O)c(OCc3ccccc3)c[nH]2)c(OC)c1 604418781 BFIUPYOSWBIRQG-OAQYLSRUSA-N 434.492 3.948 0 40 IHAB Cc1cc(N2CCN(C(=O)c3cnn(C(C)(C)C)c3C(F)(F)F)CC2)nc(C(C)C)n1 615340592 CRCWLFRYNNGCNV-UHFFFAOYSA-N 438.498 3.841 0 40 IHAB CS(=O)(=O)N(CCc1ccccc1)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl 687761 ZKYYSPYREURVHS-UHFFFAOYSA-N 434.867 3.802 0 40 IHAB CCOC(=O)c1ccc(NC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1 957779 WCWAITOHYUMWIN-UHFFFAOYSA-N 433.489 3.940 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)cc1 1104716 NIJUBBMSBJLWFW-HSZRJFAPSA-N 440.609 3.877 0 40 IHAB CCOc1ccc(-n2c(SCC(=O)Nc3nccs3)nc3ccccc3c2=O)cc1 1225037 WDROFKRVNOTADP-UHFFFAOYSA-N 438.534 3.972 0 40 IHAB CCOC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2C(=O)c2ccccc2)cc1 1962712 BXYOLIGVYHYYGK-UHFFFAOYSA-N 431.444 3.890 0 40 IHAB CC[C@@H]1SC2=NC(C)=C(C(=O)OCC(C)C)[C@@H](c3ccc(OC)c(OC)c3)N2C1=O 2249885 CYGSIFGDUIMDIJ-PKOBYXMFSA-N 432.542 3.942 0 40 IHAB CCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)OCC(=O)C(C)(C)C)c2)cc1 3263379 DXLNTSJNMPWMIC-UHFFFAOYSA-N 433.526 3.967 0 40 IHAB CC(C)c1ccc(N(CC(=O)NC2CCCC2)C(=O)CNC(=O)c2cccs2)cc1 4875714 YCLCWWNVKUHGDB-UHFFFAOYSA-N 427.570 3.693 0 40 IHAB CC(=O)Nc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(C(=O)c4cccs4)C2)C3)cc1 5437727 SGONQOKIAKIHBH-FUHWJXTLSA-N 433.533 3.795 0 40 IHAB biogenic,in-vitro CCOC(=O)c1sc(NC(=O)CSc2nc3cc4c(cc3cc2C)OCO4)nc1C 6089517 NPQQQGVCMCPFFR-UHFFFAOYSA-N 445.522 3.944 0 40 IHAB CCOc1ccc2[nH]c(=O)c(CN(CCCN(C)C)C(=S)NC3CCCCC3)cc2c1 6196575 FDKNVOFOFXTCQH-UHFFFAOYSA-N 444.645 3.888 0 40 IHAB COc1ccc(NC(=O)C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1OC 8609600 LWYDNLOIWKTEAJ-UHFFFAOYSA-N 445.928 3.778 0 40 IHAB Cc1cccc(NS(=O)(=O)c2cc(NC(=O)CNC(=O)C3CCCCC3)ccc2C)c1 8720257 YCSYHAYNZCFYMG-UHFFFAOYSA-N 443.569 3.739 0 40 IHAB Cc1cc(S(=O)(=O)NC[C@H](c2ccccc2)S(=O)(=O)c2cccs2)ccc1F 9106836 KWKKHPBWHWQBFQ-GOSISDBHSA-N 439.555 3.689 0 40 IHAB COc1ccccc1OCCSc1nnc(CC(=O)Nc2ccc(C)cc2C)n1C 9262166 LDVGPBSCNXZHFC-UHFFFAOYSA-N 426.542 3.793 0 40 IHAB COc1ccc(CCN(C)C(=O)COC(=O)/C=C/c2ccc(OC(F)F)cc2)cc1OC 9540160 HEYMSQZKHHCHKK-YRNVUSSQSA-N 449.450 3.563 0 40 IHAB CCc1nnc(SCC(=O)Nc2cc(Br)ccc2Br)n1C 9615024 MAOXUVMMQDVCIT-UHFFFAOYSA-N 434.157 3.633 0 40 IHAB COc1cc(C(=O)Oc2coc(CSc3nc(C)cs3)cc2=O)cc(OC)c1OC 9739608 NTHYAIBHWQDSDZ-UHFFFAOYSA-N 449.506 3.942 0 40 IHAB COc1ccc(N(CCCC(=O)Nc2cc(C)ccc2OC)S(C)(=O)=O)cc1Cl 10329889 VZNWTEJQGZIXKB-UHFFFAOYSA-N 440.949 3.851 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](c3ccccc3)C3CC3)CC2)cc1C 11213039 MGLIUDXWRCMWFT-HSZRJFAPSA-N 426.582 3.972 0 40 IHAB Cc1cc(=O)c(C(=O)OCc2c(F)c(F)c(F)c(F)c2F)nn1-c1ccccc1F 11276044 INEPZSYJFMBCAN-UHFFFAOYSA-N 428.288 3.733 0 40 IHAB Cc1cc(NC(=O)COC(=O)c2ccccc2SCC(=O)Nc2ccc(F)cc2)no1 11700054 QFPGKXWHQHXOCN-UHFFFAOYSA-N 443.456 3.648 0 40 IHAB CCOC(=O)CCNC(=O)Nc1cc2nc(C)n(Cc3cccc(Cl)c3)c2nc1C 12475040 ONGBJWROMYDWNI-UHFFFAOYSA-N 429.908 3.825 0 40 IHAB CCCn1c(=O)c2ccccc2n2c(SC[C@@H](O)COc3c(C)cccc3C)nnc12 12558418 GYURSYDODALZCR-KRWDZBQOSA-N 438.553 3.603 0 40 IHAB COc1ccc([C@@H](C(=O)NC(C)(C)C)N(Cc2cccs2)C(=O)c2csnn2)cc1 12638363 ICWPAMXVWVTBMS-SFHVURJKSA-N 444.582 3.907 0 40 IHAB O=c1c2c3c(sc2nc(SCCN2CCOCC2)n1CCc1ccccc1)CCC3 12787645 AEZSHRIANABDKE-UHFFFAOYSA-N 441.622 3.614 0 40 IHAB C[C@@H]1Cc2cc(C(=O)Nc3nc(-c4ccc(F)cc4)cs3)ccc2N1S(C)(=O)=O 12988586 ZDTFNJZYAQWJDN-GFCCVEGCSA-N 431.514 3.912 0 40 IHAB O=S(=O)(NCc1ccc(CN2CCOCC2)cc1)c1ccc(Cl)cc1C(F)(F)F 12992224 UEWVIFGORYLFKY-UHFFFAOYSA-N 448.894 3.670 0 40 IHAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CN1C(=O)NC(CC)(CC)C1=O 13056822 IVFNSSXWKALRRF-UHFFFAOYSA-N 443.525 3.641 0 40 IHAB O=C(NC1CCCCC1)N(Cc1ccc2c(c1)OCO2)Cc1nc2ccccc2c(=O)[nH]1 13511456 WTEJGEBKDYCJKM-UHFFFAOYSA-N 434.496 3.696 0 40 IHAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(Cl)ccc2C)C1 13580683 HGVMIRQQNFTPEF-AWEZNQCLSA-N 440.924 3.836 0 40 IHAB Cn1c(SCC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)nnc1-c1ccncc1 14117317 JRZVNYKEVWAJDB-INIZCTEOSA-N 434.481 3.533 0 40 IHAB CCCCn1nc(C)c(/C=C/C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)c1Cl 14392535 NNMQMSKDEBADKF-VAWYXSNFSA-N 438.981 3.984 0 40 IHAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 15080007 CQGHIFZHELARGY-UHFFFAOYSA-N 448.850 3.632 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)NCCc2ccc(Cl)cc2)cc1 15390787 OBLVRCSMNIROHH-FQEVSTJZSA-N 434.989 3.941 0 40 IHAB CCN(CC(=O)Nc1ccc(N2CCCCCC2)cc1)CC(=O)Nc1ccccc1OC 15452609 HLYFQEQVULRBSS-UHFFFAOYSA-N 438.572 3.975 0 40 IHAB CCOc1ccc(N2C[C@H](C(=O)NCc3ccc(CN4CCCCC4)cc3)CC2=O)cc1 15614171 FIPIXHLHJSDSRO-JOCHJYFZSA-N 435.568 3.741 0 40 IHAB CC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3ccc(Cl)cc3)co2)s1 16047737 BJMAZZHDDCMMED-UHFFFAOYSA-N 437.886 3.615 0 40 IHAB COc1ccccc1Nc1nc(N)nc(CSc2nc3ccccc3c(=O)n2C(C)C)n1 16654831 PHJSTHAJYSNVLJ-UHFFFAOYSA-N 449.540 3.789 0 40 IHAB Cc1cccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3S(=O)(=O)c2ccccc2)c1 17135506 BHVZQQAXOPZBSU-UHFFFAOYSA-N 442.562 3.937 0 40 IHAB CC(=O)Nc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 18068557 IYRVNKAGCDPRBN-VABKMULXSA-N 445.450 3.835 0 40 IHAB COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=S)N2Cc2ccccn2)cc1 18195092 SAKYCYSRVVMHOG-NRFANRHFSA-N 446.532 3.621 0 40 IHAB Cc1ccc2c(CC(=O)N3CCO[C@@H](c4nc(Cc5ccccc5F)no4)C3)coc2c1 19221637 YJMAHLWOQLNLCS-OAQYLSRUSA-N 435.455 3.997 0 40 IHAB Cc1nc([C@@H]2CCCCN2C(=O)Cc2ccccn2)nc2c1CCCN2Cc1ccccn1 19752548 QRWPXCDHONGSNW-QHCPKHFHSA-N 442.567 3.824 0 40 IHAB COc1ccccc1NC(=O)Cn1c(=O)cc(C(=O)N2CCC(C)CC2)c2ccccc21 20570033 XOMSFYUQFRBPKK-UHFFFAOYSA-N 433.508 3.521 0 40 IHAB O=C(COC(=O)c1cc(Cl)c2c(c1)OCO2)Nc1ncc(C(F)(F)F)cc1Cl 21447253 IQGJQZQYWISKAC-UHFFFAOYSA-N 437.157 3.931 0 40 IHAB COc1ccc(C)cc1NC(=O)C(=O)NC[C@H](c1cccs1)N1CCc2ccccc2C1 22908253 VUOYMOXLMPUBIW-OAQYLSRUSA-N 449.576 3.919 0 40 IHAB O=C(CCN1C(=O)COc2ccccc21)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 23389040 XGPVLFFSVRKXOA-VWLOTQADSA-N 426.476 3.584 0 40 IHAB COCCn1c(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)nc2sc(C)c(C)c2c1=O 23632989 PYEZQSDZZUELSM-CYBMUJFWSA-N 442.566 3.811 0 40 IHAB CCN1CCN(C(=O)[C@@H](C)NC[C@@H](c2ccc(N(C)C)cc2)c2c[nH]c3ccccc23)CC1 23907575 NGEZKGNFMZHMJM-YKSBVNFPSA-N 447.627 3.508 0 40 IHAB COc1cc(C(=O)NCCCN2C[C@H](C)O[C@H](C)C2)cc(OC)c1OCc1ccccc1 25973310 VVEBGJHTCCNDTE-KDURUIRLSA-N 442.556 3.512 0 40 IHAB Cc1nn(CCCNC(=O)Cc2ccc(Br)cc2)c(C)c1Br 27928264 KDJKGTZIXUFXMC-UHFFFAOYSA-N 429.156 3.774 0 40 IHAB Cc1ccccc1-c1nn2c(=O)cc(CNC(=O)Nc3ccc(F)cc3F)nc2s1 32995981 PYZIMUJNTLMTFQ-UHFFFAOYSA-N 427.436 3.726 0 40 IHAB CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1ccc(C(=O)OC)cc1 33698664 XVZJTWGNARJUQX-UHFFFAOYSA-N 440.525 3.703 0 40 IHAB Cn1ccnc1-c1sc(NC(=O)C2CCN(C(=O)C3CC3)CC2)nc1-c1ccccc1 40040634 AFZBWRLOHBAJJK-UHFFFAOYSA-N 435.553 3.798 0 40 IHAB C[C@@H](CNC(=O)C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)CN1CCCCC1 40157533 ZQGRVIBRTJOMRZ-SUMWQHHRSA-N 429.508 3.747 0 40 IHAB COc1ccccc1Nc1nc2ncc3c(c2c(=O)[nH]1)C[C@H](c1ccccc1O)CC3=O 40372912 XXOYFPRYCSAEGB-ZDUSSCGKSA-N 428.448 3.689 0 40 IHAB CC[C@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1)c1ccc(C)cc1C 44856737 FGPCQQMGQFZVGT-PXNSSMCTSA-N 436.961 3.751 0 40 IHAB C[C@H](NCC(=O)N(CC(=O)Nc1ccccc1)Cc1ccco1)c1ccc(F)c(F)c1 49600790 RVHOKBYQFSRMRV-INIZCTEOSA-N 427.451 3.876 0 40 IHAB COc1cccc(Cn2c(SCC(=O)NCc3ccco3)nc3ccsc3c2=O)c1 57426141 MVFKMUSFICWYSK-UHFFFAOYSA-N 441.534 3.516 0 40 IHAB Cc1cccc(N(C)C(=O)Cn2c(=O)n(-c3ccc(C)c(C)c3)c(=O)c3sccc32)c1 57491251 YDUOZQHDPBUCTO-UHFFFAOYSA-N 433.533 3.802 0 40 IHAB CCC[C@@H](NC(=O)[C@H](C)Sc1nnc(N2CCOCC2)n1CC(C)C)c1ccccc1 57865021 AZCSFXJLWBGOFZ-AZUAARDMSA-N 445.633 3.909 0 40 IHAB O=C(C1CCN(c2ccc(Cl)nn2)CC1)N1CCC(O)(c2ccc(Cl)cc2)CC1 71287823 KIBYILIZOASIML-UHFFFAOYSA-N 435.355 3.510 0 40 IHAB CCN1CC[C@]2(CCC1=O)C[C@H](NC(=O)c1ccc3c(c1)nc(C)n3C)c1ccccc1O2 72327852 AWGDJTGKRPJDBV-HFZDXXHNSA-N 446.551 3.907 0 40 IHAB CCN1CCN(C(=O)c2ccccn2)[C@@H](Cc2ccccc2-c2ccccc2OC)C1=O 72351488 FNTZOVYKTXPKAU-QHCPKHFHSA-N 429.520 3.673 0 40 IHAB Cc1ccc(OCCCC(=O)N2CCC([C@@H]3C[C@H](C(F)F)n4ncnc4N3)CC2)c(C)c1 72395684 JMHNYJSKCCKPMT-RBUKOAKNSA-N 447.530 3.983 0 40 IHAB CC(C)c1[nH]c2ncccc2c1[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccnn1C 72395713 VBARVRFQLVBQJU-NHCUHLMSSA-N 442.567 3.818 0 40 IHAB O=C(CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)N1CCCCC1 85878960 DCJMQYLGSRZXMD-UHFFFAOYSA-N 426.520 3.977 0 40 IHAB biogenic COc1ccc2c(C)c(CCC(=O)N[C@@H](Cc3ccccc3)Cc3c[nH]cn3)c(=O)oc2c1 89568294 WCYSFFOHDFRCAB-IBGZPJMESA-N 445.519 3.736 0 40 IHAB Cc1nc(-c2cccs2)sc1CNC(=O)C[C@@H]1CSc2nc(C)c(C)c(=O)n21 90592773 VNUCILQILAQOND-CYBMUJFWSA-N 432.596 3.707 0 40 IHAB Cc1c(Cl)cccc1N1C(=O)C[C@H](N2CCC(C(=O)Nc3ccccc3)CC2)C1=O 96126919 ORFXRLZDZCNUJR-FQEVSTJZSA-N 425.916 3.631 0 40 IHAB COc1cccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3ccc(Br)cc3)n2)c1 96257925 MWIBHPGOVWABLK-CYBMUJFWSA-N 446.301 3.934 0 40 IHAB CC(C)C(=O)N1CCc2nc3cc(C4CCN(CC5CCCCC5)CC4)nn3c(O)c2C1 100232714 VFIMZRQOLUAXBZ-UHFFFAOYSA-N 439.604 3.735 0 40 IHAB CCCc1nn(-c2nc3ccccc3o2)c(O)c1[C@@H]1CC(=O)N(Cc2ccccc2)C1=O 101983882 JSUJFBBSXGYTSR-INIZCTEOSA-N 430.464 3.714 0 40 IHAB C[C@@]12CC[C@@H]3c4ccc(Oc5nc(N6CC6)nc(N6CC6)n5)cc4CC[C@@H]3[C@@H]1CCC2=O 104082615 JCBUOSRYPMXDEE-GFTAFNIFSA-N 431.540 3.729 0 40 IHAB Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)Nc3ncn(Cc4ccccc4)n3)c12 108207485 XBZYGHWJNGIFSL-UHFFFAOYSA-N 429.509 3.897 0 40 IHAB CC[C@H](C(=O)N[C@@H](C)COc1ccc(C)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 219108675 FQLNJRIRUTVZEW-OXJNMPFZSA-N 438.977 3.777 0 40 IHAB CCc1ccc(CC)c(CNC(=O)CCCN(c2ccc(F)c(F)c2)S(C)(=O)=O)c1 223477263 ZHLURZAYDSYBJH-UHFFFAOYSA-N 438.540 3.952 0 40 IHAB COc1ccc(S(=O)(=O)Nc2cccc(C(=O)N(C)Cc3ccccc3OC)c2)cc1 224044014 HGHFRVHLJMYMPM-UHFFFAOYSA-N 440.521 3.777 0 40 IHAB CCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(OC)c(OC)c1 224586764 VUVVNEYNOYMNAN-OAQYLSRUSA-N 442.556 3.589 0 40 IHAB COc1ccccc1CN(C)C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 224607430 IJDYRMKKEWZORU-UHFFFAOYSA-N 438.977 3.862 0 40 IHAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc2c(c1)OCO2 225414963 IDMMBQRGJHIDIZ-QZTJIDSGSA-N 440.540 3.689 0 40 IHAB Cc1ccc(CNC(=S)Nc2nc(N3CCCC3)cc(N3C[C@@H](C)C[C@@H](C)C3)n2)o1 225914500 TWDKVKJUHCRTBF-IYBDPMFKSA-N 428.606 3.947 0 40 IHAB C[C@H]1CCCN(c2cc(Sc3ncccn3)nc(NC(=S)NC3CCCC3)n2)C1 226006119 ODIGDBUYYOJHOR-AWEZNQCLSA-N 429.619 3.883 0 40 IHAB CCOc1ccc(CN2CCO[C@@H](c3cccc(Nc4ccc(F)cn4)n3)C2)cc1CO 257206985 BFSMLYHGCFEKAX-JOCHJYFZSA-N 438.503 3.824 0 40 IHAB COc1ccccc1Cc1cnc([C@H]2CCCN(C(=O)CN(C)Cc3ccccn3)C2)o1 257266536 MDKKMFGIXCDYMW-FQEVSTJZSA-N 434.540 3.507 0 40 IHAB Cc1cccc(Nc2cc(C)nc([C@@H]3CN(C(=O)Cn4cnc5ccccc54)CCO3)c2)n1 257296612 RDOFNZFPNVQXPH-QHCPKHFHSA-N 442.523 3.787 0 40 IHAB O=C(c1cnccn1)N1CCO[C@@H](c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)C1 257308331 TWIXJSWQUNVBEN-HXUWFJFHSA-N 428.414 3.695 0 40 IHAB CCCCOc1ccc(NC(=O)NCCN2c3ccccc3N(C3CC3)S2(=O)=O)cc1 585147668 PXTUFZVQXHAONG-UHFFFAOYSA-N 444.557 3.721 0 40 IHAB CS(=O)(=O)N1CCC[C@@H](c2nnc3sc(-c4cccc5c(Cl)cccc45)nn23)C1 1505838433 KAZCUKJICIYSKK-GFCCVEGCSA-N 447.973 3.798 0 40 IHAB CC[C@H](c1ccccc1)c1nnc(NC(=O)Cc2csc(S[C@@H](C)C(N)=O)n2)s1 1514806409 SNBRRZMYFURDLA-SMDDNHRTSA-N 447.611 3.684 0 40 IHAB COCCN1C(=O)[C@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)Cn2c1nc1ccccc12 1548338271 XVBDWCNBFZVGMU-CYBMUJFWSA-N 447.322 3.981 0 40 IHAB COC[C@@]1(CN(C)C)COCCN1C(=O)c1cc(-c2ccc(C)cc2C)nc2ccccc12 1583246129 NEVOQIWFVWMLFY-MHZLTWQESA-N 447.579 3.938 0 40 IHAB CCc1cccc(CC)c1NC(=O)COC(=O)[C@@H](C(C)C)N1C(=O)c2ccccc2C1=O 1917021 SSQZVKHNFDRTPE-JOCHJYFZSA-N 436.508 3.614 0 40 IHAB CCOc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CC(C)C)CC(=O)N21 2110969 JLUBURQLXZTLBR-OFVILXPXSA-N 431.536 3.908 0 40 IHAB biogenic O=C(OCC(=O)N(CCc1ccccc1)Cc1ccccc1)[C@@H]1COc2ccccc2O1 2623555 HOCIPGLSYGOZMD-DEOSSOPVSA-N 431.488 3.641 0 40 IHAB CCc1ccc(Nc2nnc(SCC(=O)NCc3ccc4c(c3)OCO4)s2)cc1 2657950 POAVKOMUWCYXJH-UHFFFAOYSA-N 428.539 3.981 0 40 IHAB COc1ccc([C@H]2CC(=O)c3cnc(NC(=O)c4cc(OC)cc(OC)c4)nc3C2)cc1 4301967 AEUDIVVJSRBPJW-OAHLLOKOSA-N 433.464 3.667 0 40 IHAB C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)Nc1ccc(N3CCCCC3)cc1)C2=O 6249055 QQHDUVDCRPNDGZ-OSPHWJPCSA-N 426.561 3.752 0 40 IHAB O=c1[nH]c2cc3c(cc2cc1CN(C[C@H]1CCCO1)C(=S)Nc1ccccc1)OCO3 6446634 UEIBEIAUVABBEO-GOSISDBHSA-N 437.521 3.635 0 40 IHAB CCOC(=O)c1cccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)N2C(C)C)c1 8591606 YQECKEWNAXULLP-IBGZPJMESA-N 441.459 3.577 0 40 IHAB CCN(C(=O)/C=C/c1cn(Cc2ccccc2)nc1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 8825425 MPZGJNNKYWVLHX-YAOQVBECSA-N 449.576 3.647 0 40 IHAB Cc1cccc(Cn2c(=O)c3c(nc4n3C[C@@H](C)CN4c3cc(C)cc(C)c3)n(C)c2=O)c1 9087931 XNAAGRPQCDRYPP-IBGZPJMESA-N 443.551 3.658 0 40 IHAB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2c(Cl)ccc(C)c2Cl)cc1 9120300 QQYCTZKAMWMWAE-UHFFFAOYSA-N 444.336 3.956 0 40 IHAB CCC(=O)N(c1nnc(SCc2nc(N)nc(Nc3ccc(C)cc3)n2)s1)C1CC1 9208014 YMAJGUGUABDVCW-UHFFFAOYSA-N 442.574 3.555 0 40 IHAB Cc1ccc(C)c(OCc2nnc(S[C@H](C)C(=O)Nc3ccc4c(c3)OCO4)n2C)c1 9303740 AQRYQMRHJWGXMV-OAHLLOKOSA-N 440.525 3.859 0 40 IHAB O=C(c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1)N1CC[C@H]2CCCC[C@H]2C1 9468064 IXQGWDLNQKEAQI-AEFFLSMTSA-N 442.537 3.868 0 40 IHAB CCCC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2ccc(OC)c(OC)c2)C1=O 9478688 QAATYARHOTXNCP-HSZRJFAPSA-N 428.460 3.663 0 40 IHAB C[C@H]1CCc2ccccc2N1CC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl 9549012 MCSKGBFMFLDGRI-INIZCTEOSA-N 447.988 3.904 0 40 IHAB CC[C@H]1CCc2sc(-c3nnc(SCn4nnc5ccccc5c4=O)n3C)cc2C1 9789277 RPXYFSJXKCDKLK-ZDUSSCGKSA-N 438.582 3.913 0 40 IHAB COc1ccccc1-c1noc(CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)n1 9795581 AXIWUYCIWXQICH-XMMPIXPASA-N 428.448 3.866 0 40 IHAB CCn1c(SCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)nnc1-c1ccoc1C 9815212 HLHYQOBNXBNXNC-ZDUSSCGKSA-N 425.514 3.722 0 40 IHAB COc1ccc(Br)cc1CN(C)C(=O)/C=C/c1cc(OC)c2c(c1)OCCO2 9963841 AANTYFKQWSTMHM-QPJJXVBHSA-N 448.313 3.909 0 40 IHAB CS(=O)(=O)Nc1cccc(CNC(=O)COc2cc(Cl)c(Cl)cc2Cl)c1 11360105 OWAFLFYYXJFMRZ-UHFFFAOYSA-N 437.732 3.714 0 40 IHAB COc1ccccc1CC(=O)N1CCC[C@@H]([C@@H]2C[C@H](C(F)(F)F)n3nc(C)cc3N2)C1 12181612 RIUYZAUZDYEZGH-ZIFCJYIRSA-N 436.478 3.969 0 40 IHAB Cc1cnc(-c2nc(C3CCN(C(=O)CCCOc4ccc(F)cc4F)CC3)no2)cn1 12187546 LKYBXXMBJROILK-UHFFFAOYSA-N 443.454 3.678 0 40 IHAB CC[C@@H](C)c1ccc(NC(=O)CNc2cc(S(=O)(=O)NC3CC3)ccc2OC)cc1 12634689 PKHGPWZGOXLKEA-OAHLLOKOSA-N 431.558 3.700 0 40 IHAB C[C@@H](NC(=O)c1ccccc1NC(=O)Cn1c(=O)cnc2ccccc21)c1ccccc1 12811022 XIGPAWLGZCLYJY-QGZVFWFLSA-N 426.476 3.526 0 40 IHAB O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1cc2ccc(Br)cc2[nH]1 12923397 HRLLLSUXWWLRQR-KRWDZBQOSA-N 434.359 3.795 0 40 IHAB O=C(COC(=O)c1ccccc1OCC(=O)Nc1ccccc1F)Nc1cccc(F)c1 13039089 XBWOWPQQCWXCMS-UHFFFAOYSA-N 440.402 3.778 0 40 IHAB Cc1cc(=O)oc2cc(OCC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc12 13042421 ZNZIUSQXPSSGHS-UHFFFAOYSA-N 446.425 3.848 0 40 IHAB CCOc1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)cc1 13667914 JIBKDVDBLKYPGE-UHFFFAOYSA-N 430.570 3.888 0 40 IHAB CCOc1cc(CNC[C@@H](O)c2ccccc2)ccc1Oc1nnnn1-c1ccccc1 13729636 KXWNFKZXOZMYDP-OAQYLSRUSA-N 431.496 3.677 0 40 IHAB COc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCCCCC1 16024472 ADWQQFPXXNDMBP-UHFFFAOYSA-N 436.961 3.843 0 40 IHAB COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(CN2CCOCC2)cc1 16226472 IAVXFJBDIGECDG-RUDMXATFSA-N 431.330 3.942 0 40 IHAB O=C(N[C@@]1(C(F)(F)F)N=C(O)N(c2cccc(Cl)c2)C1=O)c1ccc(Cl)cc1 16996001 IKOGBHASEYJTTE-MRXNPFEDSA-N 432.185 3.943 0 40 IHAB Cc1ccccc1CN1CCC[C@@H](c2nc(N3CCN(C)CC3)ncc2-c2ccncc2)C1 19237178 UBEIEZIFIYGRSU-XMMPIXPASA-N 442.611 3.978 0 40 IHAB O=C(CN1CCC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCC[C@@H](c2ccccc2)C1 19369945 PUBIPHYXRHOIBJ-PKTZIBPZSA-N 448.611 3.555 0 40 IHAB O=C(OCCOc1ccc(Cl)cc1)c1ccccc1S[C@@H]1CCS(=O)(=O)C1 19471312 CHZAWFABQPKYEP-MRXNPFEDSA-N 426.943 3.855 0 40 IHAB COc1ccc(C(=O)N2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2ccncc2)c(OC)c1 19585250 AKXXYYFBRTWLMN-OAQYLSRUSA-N 447.539 3.989 0 40 IHAB CN(C)c1ncc(-c2cccc(C(N)=O)c2)c(C2CCN(C(=O)C3CCCCC3)CC2)n1 19695178 JQSARKPNBMTTHQ-UHFFFAOYSA-N 435.572 3.595 0 40 IHAB O=C(CSc1nnc(-c2cc3ccccc3o2)n1Cc1ccccc1)N1CCOCC1 20193787 LPWICVOMCCDDNV-UHFFFAOYSA-N 434.521 3.691 0 40 IHAB CCOc1cc(C(=O)Nc2nn3c(-c4ccco4)nnc3s2)cc(OCC)c1OCC 20486447 FDVPTIINIUHVOW-UHFFFAOYSA-N 443.485 3.894 0 40 IHAB Cc1cccc(C(=O)Nc2cccc(C(=O)OCc3cc(=O)n4c(C)csc4n3)c2)c1 21633061 GONIXVYWYCSPPU-UHFFFAOYSA-N 433.489 3.982 0 40 IHAB CCCCN(C)C(=O)CSc1nccnc1N1CCN(c2cccc(C)c2C)CC1 21657093 PXJWEPQWOSPTLF-UHFFFAOYSA-N 427.618 3.771 0 40 IHAB O=C(NCC(=O)N1CCN(Cc2ccsc2)CC1)c1ccc(Oc2ccccc2)cc1 23417527 WPCZWBWUIDSSSY-UHFFFAOYSA-N 435.549 3.615 0 40 IHAB O=C(c1c[nH]nc1-c1ccccc1)N1CCN(Cc2ccc(Br)s2)CC1 24528199 CARKYMAMBROHSK-UHFFFAOYSA-N 431.359 3.859 0 40 IHAB O=C(OCc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1cnc2n(c1=O)CCS2 25624271 GQIRFRVGAAHNOC-UHFFFAOYSA-N 439.440 3.848 0 40 IHAB O=C(NCc1ccccc1Cn1cccn1)[C@@H]1CCCC[C@H]1C(=O)N1CCc2ccccc21 27254479 SVZIWBNIDYCWSP-DNQXCXABSA-N 442.563 3.943 0 40 IHAB CNC(=O)c1cc(S(=O)(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cn1C 31668374 DYFJWJBTFYGVRB-UHFFFAOYSA-N 427.570 3.653 0 40 IHAB CN(Cc1ccc2ccccc2c1)C(=O)c1cc(S(N)(=O)=O)ccc1Br 32498561 JZBUQRJAFFYMSD-UHFFFAOYSA-N 433.327 3.522 0 40 IHAB CC(C)(C)NC(=O)CN1CCN(c2ncnc3cc(-c4ccc(F)cc4)sc23)CC1 32717222 QKUSLBBLTYKPON-UHFFFAOYSA-N 427.549 3.534 0 40 IHAB COc1cc(CNC(=O)[C@@H](NC(=O)c2c(F)cccc2F)C(C)C)ccc1OC(F)F 32740904 VZMHAKFLRRKNKZ-SFHVURJKSA-N 442.409 3.646 0 40 IHAB CC[C@H](c1nnc(S[C@@H](C)C(=O)Nc2cc(C)on2)n1Cc1ccccc1)N(C)C 32776098 XOUBLVYCGKYJGQ-DOTOQJQBSA-N 428.562 3.755 0 40 IHAB O=C1Nc2ccccc2Oc2cc(N3CCCCC3)c(S(=O)(=O)N3CCCC3)cc21 35327251 IXMCVJWRDXYNJF-UHFFFAOYSA-N 427.526 3.819 0 40 IHAB COc1ccc(-c2cnn3c2N=C(O)C[C@H]3C(=O)Nc2ccc(C(C)=O)cc2)cc1OC 35685344 NKQLZAVRQNFSSV-SFHVURJKSA-N 434.452 3.941 0 40 IHAB C[C@]1(c2cccc(C(F)(F)F)c2)NC(=O)N(CC(=O)Nc2cccc(Cl)c2)C1=O 40116862 JHMSEQXHMBQRDA-GOSISDBHSA-N 425.794 3.765 0 40 IHAB Cc1nc(NCCCn2nc3n(c2=O)CCCC3)c2c(-c3cccs3)csc2n1 40135290 LUODQEANCNNRJE-UHFFFAOYSA-N 426.571 3.925 0 40 IHAB CCCOc1ccc(S(=O)(=O)NCC2CCN(C(=O)Oc3ccccc3)CC2)cc1 43957237 KSCHJAXIUYPSGY-UHFFFAOYSA-N 432.542 3.665 0 40 IHAB CCOC(=O)[C@H](NCC(=O)Nc1cccc(N2CCCC2=O)c1)c1cccc2ccccc12 58215816 QBQAPTDFTJFJIS-RUZDIDTESA-N 445.519 3.799 0 40 IHAB CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)Cc2csc(NC(=O)c3cccs3)n2)C1 58246510 BUXSEEQTUKJSOJ-HUUCEWRRSA-N 448.614 3.543 0 40 IHAB CC(C)CCc1nc(CS(=O)(=O)[C@@H](C)C(=O)N[C@H]2CCOc3ccccc32)cs1 60104121 HSFWLAODUAAHDC-YJBOKZPZSA-N 436.599 3.675 0 40 IHAB COc1ccc(NC(=O)[C@@H](C)Sc2nnc3c(=O)n(-c4ccc(C)c(C)c4)ccn23)cc1 64593616 GBIGFCVJQQOKFP-MRXNPFEDSA-N 449.536 3.625 0 40 IHAB CCn1c(=O)sc2cc(S(=O)(=O)Nc3ccc(Br)c(C)c3)ccc21 64946799 VNSWPPDLFHSPKS-UHFFFAOYSA-N 427.345 3.955 0 40 IHAB O=C(NC[C@@](O)(Cc1ccccc1)c1ccccc1)[C@H]1CCCN(C(=O)c2cccs2)C1 72304399 GRXUOEIEIJOEPL-LVXARBLLSA-N 448.588 3.847 0 40 IHAB C[C@@H]1CN(C(=O)C2=Cc3ccccc3OC2)CC[C@H]1n1nc(-c2cccs2)ccc1=O 72335399 XTKXZIGYEUBSLS-OXQOHEQNSA-N 433.533 3.857 0 40 IHAB CN(C)C(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(C(=O)c2ccncc2)CC1 72345163 HPJQAOTXSORUFQ-UHFFFAOYSA-N 428.536 3.697 0 40 IHAB C[C@@H](Nc1ncc(C(N)=O)c(CCNC(=O)c2ccc3c(c2)CCCC3)n1)c1ccccc1 72352099 DAQWYBCPGIEFPJ-QGZVFWFLSA-N 443.551 3.600 0 40 IHAB COc1cccc2cc(C(=O)N3CCc4nc(NC(=O)c5cc(C)on5)sc4C3)oc12 77196418 MWCNZTHAMGZJMP-UHFFFAOYSA-N 438.465 3.645 0 40 IHAB Cc1c(Cl)cccc1S(=O)(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1Cl 95995735 YNMRASJMSYGOAS-UHFFFAOYSA-N 435.354 3.543 0 40 IHAB CCc1ccc(C(=O)N2CCC3(CC2)CN(CC(C)C)C[C@]32CCN(CC)C2=O)cc1 96144320 NAZDFGZSGJKCLQ-SANMLTNESA-N 425.617 3.682 0 40 IHAB COc1ccc(CN(Cc2csc(-c3ccc(C)o3)n2)[C@@H]2CCS(=O)(=O)C2)cc1 96765402 UBWAQTCRRFGBJV-GOSISDBHSA-N 432.567 3.909 0 40 IHAB CC(C)C(=O)N1CCc2nc3cc([C@H]4CCCCN4Cc4cccs4)nn3c(O)c2C1 100233862 CFGPKZKMOBMRRV-HXUWFJFHSA-N 439.585 3.764 0 40 IHAB O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]2[C@H]2CCCN12 101235466 YMMCMGWBBRTWFX-HCXYKTFWSA-N 429.303 3.829 0 40 IHAB CCc1cc(Br)cc(CC)c1NC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 102641951 VDEVQVGBIMVFHA-LBTBCDHLSA-N 433.346 3.544 0 40 IHAB O=C(CCCN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(Cl)c(C(F)(F)F)c1 219433710 AZSAVXQMSMZATF-UHFFFAOYSA-N 446.834 3.922 0 40 IHAB CC(C)Oc1ccc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 219756376 GLZWUCIQSBEMQZ-HXUWFJFHSA-N 436.961 3.597 0 40 IHAB CCOC(=O)c1cccc(NC(=O)[C@@H](CC)N(c2cc(C)cc(C)c2)S(C)(=O)=O)c1 220577651 SJUFJHOPBJQAOS-HXUWFJFHSA-N 432.542 3.663 0 40 IHAB CCOc1ccc(CCCNC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)cc1 222660769 VWVONPGLEITHCE-UHFFFAOYSA-N 436.549 3.520 0 40 IHAB Cc1c(NS(C)(=O)=O)cccc1C(=O)Nc1nnc(SCc2ccccc2)s1 222736522 RLUFDDYFJZBOCQ-UHFFFAOYSA-N 434.568 3.763 0 40 IHAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1OC 223809338 MQTGUPQJSGNJHJ-HXUWFJFHSA-N 430.520 3.937 0 40 IHAB Cc1cccc(OCCNC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c1C 223916404 BWPIMLKTSFESQM-UHFFFAOYSA-N 445.368 3.571 0 40 IHAB Cc1ccc(N(CCCC(=O)Nc2nnc(-c3ccccc3)s2)S(C)(=O)=O)cc1 224021579 SMWMMQPAESFGQG-UHFFFAOYSA-N 430.555 3.698 0 40 IHAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc2c(c1)OCCO2 225197613 LAAQVKLYGYDQEU-GOSISDBHSA-N 442.531 3.863 0 40 IHAB Cc1ccc2c(c1)[C@H](NC(=S)Nc1cccc(N(C)S(C)(=O)=O)c1)CC(C)(C)O2 225674366 QHWTXJSGEDZILU-GOSISDBHSA-N 433.599 3.980 0 40 IHAB O=C(c1ccc(OC2CCOCC2)nc1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 252489558 JTGSNARXDSPLRK-UHFFFAOYSA-N 436.339 3.909 0 40 IHAB CCN1CCN(C(=O)c2cc(C(C)(C)C)n[nH]2)[C@@H](Cc2cccc(-c3ccncc3)c2)C1=O 257251457 JQVJHASTJAZBIZ-QFIPXVFZSA-N 445.567 3.685 0 40 IHAB Cc1cc(Nc2cccc(F)c2)cc([C@@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)n1 257327413 XBFNOPVHIIOPPF-MRXNPFEDSA-N 429.521 3.575 0 40 IHAB CCn1c(SCC(=O)Nc2nnc(-c3ccccc3)s2)nnc1-c1ccccc1O 408532111 NGMNBMQOZJVTKH-UHFFFAOYSA-N 438.538 3.920 0 40 IHAB COC[C@@H](C)NC(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(C)cc1 408563376 MALUMFRFWGKGQR-CQSZACIVSA-N 445.368 3.648 0 40 IHAB CCCNS(=O)(=O)c1ccc(CCC(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 408593351 MLSUMSBYJCRESM-UHFFFAOYSA-N 440.949 3.617 0 40 IHAB COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2C)c(OC)c1 408701671 CGRSQZCATUMHND-UHFFFAOYSA-N 432.542 3.685 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(N3C(=O)[C@H]4CC[C@@](C)(C3=O)C4(C)C)cc2)cc1 408720955 BXNHTBSSQYRAHS-XXBNENTESA-N 442.537 3.812 0 40 IHAB CCOC(=O)c1ccc(NC(=O)Cn2nc(COc3ccccc3C)oc2=S)cc1 409168564 MRPVUDBUZYTIFM-UHFFFAOYSA-N 427.482 3.908 0 40 IHAB Cc1c(Cl)cccc1N1CCCN(S(=O)(=O)c2cccnc2C(F)(F)F)CC1 571667506 AHPZUAZYVLRSME-UHFFFAOYSA-N 433.883 3.963 0 40 IHAB Cc1cc(C)n([C@@H](CNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c2ccsc2)n1 575613340 GAGPVZORDGERRU-KRWDZBQOSA-N 436.459 3.925 0 40 IHAB Cc1cc(N2CCC[C@H](NC(=O)c3onc4c3CCCC4)C2=O)ccc1Br 1615612640 JZKINJGXPUIJRU-KRWDZBQOSA-N 432.318 3.550 0 40 IHAB C[C@H]1CN(C(=O)CN2CCC(c3ccc4cc(-c5ccncc5)cnc4n3)CC2)C[C@@H](C)O1 1888926446 HGBXQRIMRSZMMY-KDURUIRLSA-N 445.567 3.507 0 40 IHAB COc1ccc(CCNC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1OC 780478 ZVBFHTDTPLMKSD-UHFFFAOYSA-N 430.932 3.568 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)c2ccc(C)cc2)cc1OC 854483 ACSBVZUBFVZHFS-UHFFFAOYSA-N 440.521 3.846 0 40 IHAB O=C(COC(=O)COc1cccc(Br)c1)Nc1ncc(Cl)cc1Cl 3261288 XIKMWAUKQVGEGC-UHFFFAOYSA-N 434.073 3.712 0 40 IHAB CCn1c(SCC(=O)Nc2nc3ccc(C)cc3s2)nc2c(c1=O)S[C@H](C)C2 4436688 CIRBSGKDXMXVRN-LLVKDONJSA-N 432.596 3.949 0 40 IHAB aggregator COc1ccc([C@H](O)c2cc(-c3ccncc3)c([C@@H](O)c3ccc(OC)cc3)nn2)cc1 5011200 SEVAGXOPKGMBHQ-DQEYMECFSA-N 429.476 3.719 0 40 IHAB CCN(CC)CCn1c2c(c(SCC(=O)Nc3ccc(C)cc3)nc1=O)CCCC2 5254386 VUAGXERCMASLPM-UHFFFAOYSA-N 428.602 3.503 0 40 IHAB O=C(Cn1nnc(-c2ccccc2)n1)N(Cc1ccccc1)c1nc2c(s1)CCCC2 8752790 CEVZDIRTDHNRBY-UHFFFAOYSA-N 430.537 3.909 0 40 IHAB CCOC(=O)C[C@@H](NS(=O)(=O)c1ccc(OC)c2ccccc12)c1ccc(OC)cc1 8856184 KFJWGTKEJDZFLT-HXUWFJFHSA-N 443.521 3.830 0 40 IHAB COc1ccc(CNC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)c(OC)c1OC 9062675 UTURLQIRLGBNKM-UHFFFAOYSA-N 432.948 3.894 0 40 IHAB CCOc1ccc(NC(=O)c2cccc(-n3cccc3)c2)cc1S(=O)(=O)N1CCCC1 9156097 YEONYWPZOGSBTC-UHFFFAOYSA-N 439.537 3.913 0 40 IHAB O=C(Nc1ccccc1)c1ccccc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 9203215 GRTJRPBYPZYFSA-UHFFFAOYSA-N 435.505 3.867 0 40 IHAB COc1ccccc1NC(=O)C1=C(C)Nc2nc(SC)nn2[C@@H]1c1ccccc1OC 9409894 OUKLQTPHCFAIQR-LJQANCHMSA-N 437.525 3.945 0 40 IHAB CCOc1ccc(-c2nc(CN3C(=O)N[C@]4(CCOc5ccccc54)C3=O)cs2)cc1 9460130 YKNQDSORSNMIDV-QHCPKHFHSA-N 435.505 3.939 0 40 IHAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 9478094 BLSAZLTVTKKDTJ-KSSFIOAISA-N 447.557 3.808 0 40 IHAB COCCn1c(SCC(=O)Nc2cccc(F)c2)nc2c(oc3ccccc32)c1=O 9834560 GGSIIJMMVPTTDG-UHFFFAOYSA-N 427.457 3.659 0 40 IHAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3ccc(-n4cnnn4)cc3)c2n1 9836794 UUGOUWYFQWKWPX-UHFFFAOYSA-N 429.267 3.843 0 40 IHAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1csc(-c2ccc(OC)cc2)n1 10024248 UPGWHBYQGCDLNS-OAQYLSRUSA-N 449.532 3.743 0 40 IHAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccc(NC(=O)C3CC3)s2)c1C 11031559 QNBNJRNWQCSOKF-LBPRGKRZSA-N 432.498 3.646 0 40 IHAB Cc1cc2cc(C(F)(F)F)nc-2n(CC2(O)CCN(C(=O)COc3ccccc3)CC2)c1 12183301 HJDXGQOLLODVKA-UHFFFAOYSA-N 447.457 3.748 0 40 IHAB CCN(CC)c1ccc(NC(=O)COC(=O)CCc2cc(OC)c(OC)c(OC)c2)cc1 12563756 VQZVMRYATXRZSZ-UHFFFAOYSA-N 444.528 3.673 0 40 IHAB CC(C)n1nccc1NC(=O)[C@@H](C)OC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 12796860 LPGQMIBQTCTPKC-WBVHZDCISA-N 446.935 3.540 0 40 IHAB CC(=O)NCCNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccc(Cl)cc1 12859461 WCHNOPAJQMZXDN-UHFFFAOYSA-N 447.926 3.666 0 40 IHAB O=C(NCc1ccccc1)NC1(C(=O)NC2CCN(Cc3ccccc3)CC2)CCCCC1 13563174 JBIRYXCOSWFQLB-UHFFFAOYSA-N 448.611 3.970 0 40 IHAB COc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4C)[nH]c(=O)c32)cc1OC 13567373 DLCZRNXQYKOBNW-INIZCTEOSA-N 437.521 3.862 0 40 IHAB COc1ccc(CNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)cc1OC 15700691 VBXOXBLSHNOUMN-UHFFFAOYSA-N 444.484 3.574 0 40 IHAB O=C(NCc1ccccc1)[C@H](c1ccccc1F)N(C[C@H]1CCCO1)C(=O)c1ccccn1 15935963 OCUNOQAXCJBEFB-YKSBVNFPSA-N 447.510 3.900 0 40 IHAB Cc1ccn2c(=O)nc(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)nc2c1 16689545 ZUZPFOJRWCYDIL-UHFFFAOYSA-N 428.823 3.801 0 40 IHAB CC(=O)Oc1ccccc1-c1nc2s/c(=C\c3ccc(-c4ccc(F)cc4)o3)c(=O)n2n1 16737146 ZVQXUIJZXKXNKU-NDENLUEZSA-N 447.447 3.690 0 40 IHAB COP(=O)(OC)c1nc(C(c2ccccc2)c2ccccc2)oc1N1CCOCC1 16753660 UGCGCCGAQAVWMF-UHFFFAOYSA-N 428.425 3.803 0 40 IHAB CCCS(=O)(=O)c1ncc(Cl)c(C(=O)N(Cc2ccccc2)c2cccnc2)n1 16753862 KZSGLKFVMISHND-UHFFFAOYSA-N 430.917 3.556 0 40 IHAB CS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3cccc(Br)c3)cc2)nn1 16975177 MYSNGRPZXTVTOZ-UHFFFAOYSA-N 432.299 3.562 0 40 IHAB COc1ccc2[nH]cc(CCN[C@@H]3CC(=O)N(c4cccc(Cl)c4Cl)C3=O)c2c1 18088190 JHRMTWKOXWFCNZ-QGZVFWFLSA-N 432.307 3.948 0 40 IHAB C[C@H](C(=O)N1CCC([C@@H]2C[C@H](C(F)F)n3nc(C(C)(C)C)cc3N2)CC1)N1CCCC1 19077888 BJRXHDWKZORMAW-BPQIPLTHSA-N 437.579 3.894 0 40 IHAB COc1cccc(CC(=O)N[C@H](c2cc(O)n3nc(-c4cccnc4)cc3n2)C(C)C)c1 19445495 KAYBZVZFRYODIO-DEOSSOPVSA-N 431.496 3.562 0 40 IHAB COc1cc(CN(C(=O)COc2cccc(C)c2)C2CCCCC2)ccc1OCC(N)=O 19631967 BLSLJGRPUHRYGT-UHFFFAOYSA-N 440.540 3.608 0 40 IHAB Cc1nc([C@H]2CCCCN2C(=O)c2cnccn2)ncc1C(=O)Nc1ccc(Cl)cc1 19764796 IOZCSLCEHBTJAV-LJQANCHMSA-N 436.903 3.848 0 40 IHAB CC(C)Oc1ccc(CNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 20451261 UNRMICYCOSNXCG-UHFFFAOYSA-N 445.368 3.863 0 40 IHAB COc1ccc(N(CC(=O)N[C@H](c2ccccc2)c2ccccc2C)S(C)(=O)=O)cc1 20457022 PKIWSDJTHZPFPW-XMMPIXPASA-N 438.549 3.675 0 40 IHAB O=C(OCc1cc(=O)n2c3c(sc2n1)CCCC3)c1ccc(NC(=O)c2ccco2)cc1 21016957 NPQIZDOGCCJKGT-UHFFFAOYSA-N 449.488 3.837 0 40 IHAB C[C@@H](NC(=O)CN1CCN(Cc2ccc(Br)s2)CC1)c1ccc(F)cc1 22912339 ZDDCDWMAKPFSRQ-CQSZACIVSA-N 440.382 3.645 0 40 IHAB COc1ccc([C@H](NC(=O)CN2CCN(Cc3cccs3)CC2)c2ccccc2)cc1 22928979 CBFGDOVBKJXNLG-RUZDIDTESA-N 435.593 3.780 0 40 IHAB O=S(=O)(NCc1ccc(CN2CCOCC2)cc1)c1ccc(Cl)c(C(F)(F)F)c1 23846855 KZEATUDZPZTFHR-UHFFFAOYSA-N 448.894 3.670 0 40 IHAB Cc1cccc(CSCCNC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c1 24606312 UIGPDHALEHGDCG-UHFFFAOYSA-N 438.640 3.507 0 40 IHAB O=C1N=C(O)[C@]2(Cc3ccccc3N3CCOC[C@@H]32)C(=O)N1c1cc(Cl)ccc1Cl 25185125 FWMBGTDTZQRUNY-DYESRHJHSA-N 446.290 3.864 0 40 IHAB O=C(c1ccc(Br)o1)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 29284839 KFYJEFXUZPNPEG-UHFFFAOYSA-N 433.224 3.899 0 40 IHAB CCN(CC)Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1 30851941 POWZROBENYYNTL-UHFFFAOYSA-N 435.615 3.629 0 40 IHAB CCOC(=O)C1=C(CSc2nncn2-c2ccccc2C)NC(=O)N[C@@H]1c1ccccc1 32721657 XABMOZFHTMFBAH-HXUWFJFHSA-N 449.536 3.539 0 40 IHAB Cc1csc(=O)n1CCCC(=O)NCCSc1ncc(C(F)(F)F)cc1Cl 32748146 TYVYDUVHIWTIFU-UHFFFAOYSA-N 439.912 3.974 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C2(c3ccc(F)cc3)CCC2)c1 32906817 OJVUNECIMGPARD-UHFFFAOYSA-N 434.533 3.925 0 40 IHAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCC(=O)c1ccc2c(c1)CCCC2 33029025 BUSLIBUYWFVVAM-QHCPKHFHSA-N 432.520 3.910 0 40 IHAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)[C@@H](C)SCc2ccccc2)CC1 40144051 CLZJJFKAXQTWHG-HXUWFJFHSA-N 425.598 3.708 0 40 IHAB Cc1cc2nc(CSc3ccccc3NS(=O)(=O)c3ccc(F)cc3)cc(=O)n2o1 41089672 SMRIFXIMBYOXAR-UHFFFAOYSA-N 445.497 3.828 0 40 IHAB COc1ccc([C@@H]2CC(=O)Nc3c(C(=O)O)cn(-c4cc(F)cc(F)c4)c32)cc1OC 61717945 XAOOFZIZZYTCSG-HNNXBMFYSA-N 428.391 3.945 0 40 IHAB CCN(CC)CCOC1CCN(CC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)CC1 72305616 NEEVLHXGCPMHNJ-XMMPIXPASA-N 447.620 3.916 0 40 IHAB Cc1cccnc1Nc1cc(CC2CCN(C(=O)COc3ccccc3F)CC2)ncn1 72383432 ZSWADSFSHAYDSM-UHFFFAOYSA-N 435.503 3.923 0 40 IHAB O=C(Nc1cccc2ncccc12)C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 84493457 LHRUPGUXRURNRO-IBGZPJMESA-N 440.297 3.536 0 40 IHAB CC(C)(C)OC(=O)N1CCC2(CC[C@H](C(=O)O)N(C(=O)OCc3ccccc3)C2)CC1 91302578 YEINFTFLMWCTAM-GOSISDBHSA-N 432.517 3.890 0 40 IHAB CCCCS(=O)(=O)N1CCC2(CC1)C[C@@H](CC(=O)NC1CCC1)c1ccccc1O2 96243174 XPVHKNNPIFKUPU-GOSISDBHSA-N 434.602 3.576 0 40 IHAB O=C(NC1CCN(CCOc2ccc(Cl)cc2)CC1)c1cc(Br)c[nH]1 97590248 YDJFOLQDMIJXLM-UHFFFAOYSA-N 426.742 3.704 0 40 IHAB COC(=O)Cn1/c(=N/C(=O)c2ccc(Br)s2)sc2cc(C)ccc21 100876031 RYJNCCIOCJPUMH-VLGSPTGOSA-N 425.329 3.749 0 40 IHAB CC(=O)NC12C[C@@H]3C[C@@H](C1)CC(C(=O)OCC(=O)N(Cc1ccccc1)C(C)(C)C)(C3)C2 102788134 DGBUQXFWWOWLFE-QJMPUOCTSA-N 440.584 3.832 0 40 IHAB O=C1C[C@@H](Nc2ccc3cc[nH]c3c2)C(=O)N1c1ccc(I)cc1 113562501 XQLKEXFYPRPEDF-MRXNPFEDSA-N 431.233 3.517 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CCCN(c2ccc(C)cc2)S(C)(=O)=O)c(C)c1 219627182 KCEXAQVPGFUOLJ-UHFFFAOYSA-N 432.542 3.665 0 40 IHAB CSc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCc3ccccc3)CC2)cc1 219637561 JCKFSZMTJCFFNX-UHFFFAOYSA-N 432.611 3.558 0 40 IHAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCc2ccc(F)cc2)cc1OC 223510824 REAOAXIGBVJAQP-UYRXBGFRSA-N 440.496 3.992 0 40 IHAB COC(=O)c1cc(S(=O)(=O)Nc2sc3c(c2C(=O)OC)CCCC3)ccc1Cl 223869255 UVPSGFKRZLJDMO-UHFFFAOYSA-N 443.930 3.654 0 40 IHAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1F 224029491 UCLSGKIDXZXNOI-NRFANRHFSA-N 430.520 3.937 0 40 IHAB Cc1cc(C)cc(OCCNC(=O)CCCN(c2cc(C)ccc2C)S(C)(=O)=O)c1 224081278 XKKONIRYQXMYMM-UHFFFAOYSA-N 432.586 3.662 0 40 IHAB CC[C@@H](C(=O)NCCOc1ccc(C)cc1C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 224313618 WQBICWHWXBWWMK-NRFANRHFSA-N 432.586 3.660 0 40 IHAB Cc1ccc([C@@H](C)NS(=O)(=O)c2nnc(NC(=O)c3ccccc3Cl)s2)cc1 225287700 GDEOAJHHJDPHOG-GFCCVEGCSA-N 436.946 3.792 0 40 IHAB COc1ccc(OC)c([C@@H](C)NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)c1 225817564 OUEHSPCQUGADSL-QGZVFWFLSA-N 446.569 3.760 0 40 IHAB COc1ccc(CN2CCC[C@@H]([C@@](O)(CNC(=O)C(C)(C)C)c3ccccn3)C2)c(C)c1 257318746 VPFAOUPANAXFAV-RLWLMLJZSA-N 439.600 3.661 0 40 IHAB Cc1cccc(CN2C[C@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccccc2)C3=O)c1 306128266 GVRFGIBNRRLICG-VPUSJEBWSA-N 427.548 3.787 0 40 IHAB O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1CN(Cc3ccccc3Cl)C[C@H]1C2 306132783 LSBDLSCRGZKHOH-HZPDHXFCSA-N 425.895 3.627 0 40 IHAB COC(=O)N1Cc2nnc(-c3ccc(F)cc3)n2C2(CCN(Cc3cccc(C)c3)CC2)C1 306143014 XQZBIQJOPMUHDS-UHFFFAOYSA-N 449.530 3.966 0 40 IHAB COc1ccc(S(=O)(=O)NCCCOC(C)C)cc1NC(=O)c1cccc(Cl)c1 408558424 RRZCXYLIDWBQMV-UHFFFAOYSA-N 440.949 3.694 0 40 IHAB C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N(Cc1ccccc1)Cc1ccccc1 408585220 XWPNJURQOOACCH-GOSISDBHSA-N 426.513 3.722 0 40 IHAB Cc1ccc(C)c(N2C[C@@H](C(=O)Oc3ccc(N4C(=O)CCCC4=O)c(C)c3)CC2=O)c1 408643002 QKEJEDMJOQVCSN-SFHVURJKSA-N 434.492 3.614 0 40 IHAB C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3ccccc3Cl)C(=O)[C@H]21 408651550 NLHIPRXFIUQSSW-YWMUFLPLSA-N 436.895 3.777 0 40 IHAB CC(C)NC(=O)c1ccccc1NC(=O)C(=O)NCC(c1ccccc1)c1ccccc1 408707717 CUKJVYSVCOBQCE-UHFFFAOYSA-N 429.520 3.712 0 40 IHAB Cc1ccc(C(=O)N[C@H](c2nnc(SCC(=O)NC3CCCCC3)n2C)C(C)C)cc1 409155307 QTEHBMUFUBMFCH-FQEVSTJZSA-N 443.617 3.792 0 40 IHAB CC(C)NS(=O)(=O)c1ccc(CCC(=O)NCc2ccc(Cl)cc2Cl)cc1 409196573 WHWBICCZPNMVFK-UHFFFAOYSA-N 429.369 3.929 0 40 IHAB O=C(NCC1=CCCOC1)c1ccc(-c2ccc(C(=O)NCC3=CCCOC3)cc2)cc1 579643321 AHEZRXUSSKPKOM-UHFFFAOYSA-N 432.520 3.507 0 40 IHAB CN(Cc1ccccc1)[C@H]1[C@H](NC(=O)OC(C)(C)C)C[C@@H](Oc2ccc(F)cc2F)[C@@H]1O 585262443 LSGJJSUKIUZBIE-YJMBLLCNSA-N 448.510 3.871 0 40 IHAB C[C@@H](NC(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1)c1ccc2nc(O)[nH]c2c1 614114030 ZNUFFTCAKHRDFV-JLCFBVMHSA-N 442.475 3.702 0 40 IHAB Cc1ccc(NC(=O)C[C@@H]2Cn3c(nc4ccccc43)N(Cc3ccccn3)C2=O)cc1 1548338275 YPTYGYKVUAQQPA-GOSISDBHSA-N 425.492 3.932 0 40 IHAB Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 1888962463 XRXNNDOZGFDPBG-UHFFFAOYSA-N 427.907 3.979 0 40 IHAB Cn1cc(-c2cnc(OC3CCN(C(=O)Cc4cccc(C(F)(F)F)c4)CC3)nc2)cn1 1889237062 DLHHMYKUNQYLKS-UHFFFAOYSA-N 445.445 3.508 0 40 IHAB Cc1ccc(-c2cnc(Nc3cc(C[C@H]4COCCN(CC(=O)O)C4)ccn3)s2)cc1 2037853933 AUTSBBDJALODTQ-GOSISDBHSA-N 438.553 3.833 0 40 IHAB O=C1CO[C@@]2(CCCN(Cc3cnc(-c4ccccc4)nc3)C2)CN1c1ccc(F)cc1 2037988752 HDBFMZUWKSPXOT-RUZDIDTESA-N 432.499 3.681 0 40 IHAB COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)NC[C@@H]3CCCO3)n2)cc1 890698 RBHFXZBTVWVOTL-AWEZNQCLSA-N 427.448 3.558 0 40 IHAB COc1ccc2cc(C)c3nnc(SCC(=O)Nc4cccc(NC(C)=O)c4)n3c2c1 928552 PCUURGHGBYYPOZ-UHFFFAOYSA-N 435.509 3.889 0 40 IHAB CCCCc1cc(=O)oc2c(C)c(OCC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)ccc12 2108791 FZDXWPBMMTUCCU-KBMIEXCESA-N 427.541 3.976 0 40 IHAB biogenic COc1ccc(OC)c(N2C[C@H](C(=O)Nc3ccc(Br)c(C)c3)CC2=O)c1 9095615 HFMQLYAISFSRHO-CYBMUJFWSA-N 433.302 3.766 0 40 IHAB CCc1ccc2oc(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)cc(=O)c2c1 9194487 XMDGEIPHKOPNSM-UHFFFAOYSA-N 428.491 3.621 0 40 IHAB COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1NC(=O)c1ccccc1F 9227722 BQGOTDWPUFBIMH-UHFFFAOYSA-N 426.469 3.838 0 40 IHAB Cc1nc2sc(C(=O)OCC(=O)Nc3c(Cl)cccc3Cl)c(C)c2c(=O)[nH]1 9255442 DIQAXISEGHMQRM-UHFFFAOYSA-N 426.281 3.704 0 40 IHAB O=C(Nc1ccc2c(c1)OCO2)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O 9469881 DHXAJBVWCWPPME-UHFFFAOYSA-N 447.900 3.802 0 40 IHAB C[C@@H](Sc1nnc(-c2cccnc2)n1C1CC1)C(=O)N1c2ccccc2NC(=O)C1(C)C 9512670 HCKNOQHLHWFKAO-CQSZACIVSA-N 448.552 3.920 0 40 IHAB C[C@H](OC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)C(=O)N1CCc2ccccc21 9716068 ZQSRITBZNFFHFD-INIZCTEOSA-N 440.455 3.622 0 40 IHAB C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3cccc4c3O[C@H](C)[C@@H]4C)cc2)C[C@@H](C)O1 9783557 OHFOYVMLLSKEPX-WCXIOVBPSA-N 444.553 3.621 0 40 IHAB COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2cncn2-c2ccccc2)c1 9796313 WDYXNBFCWMJJGP-UHFFFAOYSA-N 448.504 3.934 0 40 IHAB Cc1ccc(C2=NN(C(=O)Cn3cnc4cc(F)ccc4c3=O)[C@@H](c3ccco3)C2)cc1 9834379 PGJUOOYELLAIQR-OAQYLSRUSA-N 430.439 3.815 0 40 IHAB Cc1c(NS(C)(=O)=O)cccc1C(=O)NCCSCc1c(F)cccc1Cl 10314425 YFLDRMADUNOYLA-UHFFFAOYSA-N 430.954 3.822 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc(-c4ccccn4)cs3)CC2)cc1 10337598 AVPLFYFZZOMQDT-UHFFFAOYSA-N 442.566 3.553 0 40 IHAB CN(C)S(=O)(=O)c1ccc(Br)c(C(=O)N[C@H](c2ccccc2)C2CC2)c1 11214970 QWZAVFCDXAZDSJ-GOSISDBHSA-N 437.359 3.581 0 40 IHAB CCN1C[C@H](CN(C)C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)Oc2ccccc21 11550582 QLVVNQSBJAZTKD-FQEVSTJZSA-N 448.523 3.961 0 40 IHAB CCOc1ccc(OCC)c(NC(=O)CSc2nncn2-c2ccc(OC)cc2)c1 12521770 RRJYZNONZADLKK-UHFFFAOYSA-N 428.514 3.804 0 40 IHAB CC(=O)c1ccc(N2CCN([C@H](C)C(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)cc1 12609686 WLNARMRHNHMXKI-OAHLLOKOSA-N 435.446 3.937 0 40 IHAB CC(C)N(CCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](C)C2)c1)C(C)C 12745087 RNQKZVOPCCMEFS-QGZVFWFLSA-N 444.041 3.609 0 40 IHAB CCc1ccc([C@H](NC(=O)Nc2ccc(S(N)(=O)=O)cc2)c2cccc(F)c2)cc1 12765479 DVOXVSAXXAFMPB-NRFANRHFSA-N 427.501 3.947 0 40 IHAB O=C(CNc1cc(F)ccc1OCC(F)(F)F)Nc1cccc(C(=O)NC2CC2)c1 12771359 FVEIKITZFINIQC-UHFFFAOYSA-N 425.382 3.710 0 40 IHAB O=C(Nc1ccc(OC(F)F)cc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 12802997 LXGBRHSSYYVUJJ-INIZCTEOSA-N 430.860 3.733 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 12926203 FPRGHZSZEAXLGK-UHFFFAOYSA-N 431.323 3.842 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1 13009984 QOMAFJZPYXSSOK-UHFFFAOYSA-N 436.497 3.524 0 40 IHAB Cc1ccc(C)c(NC(=O)[C@H](C)SC(=S)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c1 13572390 IDYRLVHBJVAJJH-KSZLIROESA-N 441.622 3.930 0 40 IHAB O=C(C[C@@]1(O)C(=O)N(CN2CCCCC2)c2ccccc21)c1ccc(Br)s1 13577195 RRIDXRXZUNFBFX-FQEVSTJZSA-N 449.370 3.761 0 40 IHAB CC(=O)N[C@]1(CC(=O)Nc2ccc(Br)cc2)C(=O)N(C(C)C)c2ccccc21 13629677 OTRMLQYQGLEEBR-NRFANRHFSA-N 444.329 3.564 0 40 IHAB COc1ccc(-n2c(=O)c(CCC(=O)N3CCc4ccccc4C3)nc3ccccc32)cc1 14071424 HYMAMWFIAXWRDA-UHFFFAOYSA-N 439.515 3.912 0 40 IHAB O=C(CCn1nc(-c2cccs2)oc1=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 14241618 QQBUNMSUCNTEGO-UHFFFAOYSA-N 434.449 3.995 0 40 IHAB Nc1nc(COC(=O)CCC(=O)c2ccc3c(c2)CCC3)nc(Nc2ccc(F)cc2)n1 14678785 XVDMZNAPTLZHQS-UHFFFAOYSA-N 435.459 3.532 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 14862316 WVFRGTSHKABMBD-UHFFFAOYSA-N 430.526 3.680 0 40 IHAB C[C@@H](Sc1nc2cc(Cl)ccc2s1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 15181818 NLFBDDBYIQNDII-SECBINFHSA-N 427.960 3.716 0 40 IHAB NC(=O)COc1ccc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1 15228282 LSWAXGXQSBNHNN-SXGWCWSVSA-N 447.310 3.550 0 40 IHAB Cc1nc(COc2cccc(/C=C/C(=O)Nc3ccc4c(c3)C(=O)N(C)C4=O)c2)cs1 15496786 SKNMLZNOVMSBTG-RMKNXTFCSA-N 433.489 3.908 0 40 IHAB Cc1cc(C)c2oc3c(c(=O)c2c1)[C@@H](c1ccc(Br)cc1)N(CCO)C3=O 16751305 PZABLYMRXLEJLN-QGZVFWFLSA-N 428.282 3.710 0 40 IHAB C[C@@H]1CCc2c(sc3ncn(CC4(O)CCN(Cc5cccs5)CC4)c(=O)c23)C1 19497213 UQSOXLFACAZOAO-OAHLLOKOSA-N 429.611 3.671 0 40 IHAB O=C(C1c2ccccc2Oc2ccccc21)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19907404 QSVCSPVODJNGRK-UHFFFAOYSA-N 428.488 3.997 0 40 IHAB O=C(Nc1c(F)cccc1F)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 20007911 USZRZJMTMNRETB-IBGZPJMESA-N 434.439 3.632 0 40 IHAB O=C(Nc1ccc(Br)cc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 20898305 NZMLGCNWCHVHHK-UHFFFAOYSA-N 437.359 3.630 0 40 IHAB CCC(=O)Nc1ccc(C)cc1-c1nnc(SCC(=O)Nc2cccc(C)c2)nc1O 21882746 MDWNZNQTOYNGDR-UHFFFAOYSA-N 437.525 3.940 0 40 IHAB CCOc1ccc(N(CC(=O)N[C@@H](C)CC)S(=O)(=O)c2ccc(SC)cc2)cc1 22278529 ZFELSFZETIUBPJ-INIZCTEOSA-N 436.599 3.917 0 40 IHAB O=c1c2c3c(sc2ncn1Cc1cc2c(cc1Br)OCCO2)CCCC3 22984813 VTJFOROKAZZNQZ-UHFFFAOYSA-N 433.327 3.919 0 40 IHAB CCN(CC)Cc1ccccc1CNC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O 26942837 VBDKSVYNEGAPON-UHFFFAOYSA-N 429.870 3.679 0 40 IHAB O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1cc2c(cc1Cl)OCCCO2 26986908 GKEUGDQGKPGAFC-UHFFFAOYSA-N 437.201 3.974 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(OC2CCCC2)cc1 29024667 ZJUMJFOPGKZSPP-UHFFFAOYSA-N 444.553 3.590 0 40 IHAB Cc1c(Cl)c(CSc2nnc(CCC(N)=O)n2C[C@@H]2CCCO2)nc2ccccc12 32905069 FVKZSLNRQYTYDY-AWEZNQCLSA-N 445.976 3.677 0 40 IHAB COc1ccc(-c2noc(-c3cccc(OCC(=O)Nc4ccc(C(N)=O)cc4)c3)n2)cc1 33012402 BQHBOPJEKWVSEJ-UHFFFAOYSA-N 444.447 3.529 0 40 IHAB CCOC(=O)c1cccc(NC(=O)c2ccc(Oc3nccnc3N3CCOCC3)cc2)c1 33296760 PQHQYJQGZKGLKI-UHFFFAOYSA-N 448.479 3.535 0 40 IHAB COc1ccc(/C=C/C(=O)NCCN2C(=O)S/C(=C/c3cccs3)C2=O)c(OC)c1 33551805 LUSWFVFOWKVZRQ-IOISIFEWSA-N 444.534 3.631 0 40 IHAB CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1[C@H](C)Oc1ccccc1 36631396 PYPIPRXAGLEMRV-AWEZNQCLSA-N 426.498 3.898 0 40 IHAB O=C(Cc1csc(NC(=O)C2CCCC2)n1)NC1CCN(Cc2ccccc2)CC1 38739422 JZMCPMFUWIPWEC-UHFFFAOYSA-N 426.586 3.595 0 40 IHAB CSCC[C@H](NC(=O)c1nc(SCc2ccc(C)cc2)ncc1Cl)C(=O)O 41156803 YTNJUXJAZMSZGY-AWEZNQCLSA-N 425.963 3.667 0 40 IHAB Cc1ccc(N2CCN(Cc3nc(-c4ccc(N5CCC[C@H](C)C5)nc4)no3)CC2)cc1 49409678 KGQQEWFGBMWJNI-FQEVSTJZSA-N 432.572 3.999 0 40 IHAB CCc1cccc(C)c1NC(=O)Cn1c(=O)n(CCc2cccs2)c(=O)c2ccccc21 57473279 XSLYUMDJQHVCNF-UHFFFAOYSA-N 447.560 3.977 0 40 IHAB CCN(CC)C(=O)c1cnc(N(C)C)nc1-c1ccc(CNC(=O)CC(C)(C)C)cc1 57774267 RNVOGVVDMXQLMH-UHFFFAOYSA-N 425.577 3.744 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NCc3ccc4c(c3)CC(=O)N4)cc2)c1 58158494 ZJHKRQWOPMAMMC-UHFFFAOYSA-N 449.532 3.529 0 40 IHAB CCCCOc1cccc(CNC(=O)c2cnn(-c3ccc(OC)nn3)c2C(F)(F)F)c1 59118307 IQLZWQJLZCWYON-UHFFFAOYSA-N 449.433 3.799 0 40 IHAB FC(F)(F)Oc1ccc(Cc2nnc3sc(-c4n[nH]cc4Br)nn23)cc1 61718791 IQNFCULZMSPBJV-UHFFFAOYSA-N 445.224 3.828 0 40 IHAB CCCCc1nc2c3ccccc3n(CC(=O)Nc3cc(Cl)ccc3OC)c(=O)n2n1 62639799 CZRUFDHZWGPKNL-UHFFFAOYSA-N 439.903 3.688 0 40 IHAB O=C(NCC1(c2cccc(Cl)c2)CCOCC1)c1ccc(=O)n(-c2ccc(F)cc2)n1 65428687 HSYXGUXFZNBXDK-UHFFFAOYSA-N 441.890 3.503 0 40 IHAB O=C(Cn1c(=O)n2nc(-c3cccc(F)c3)nc2c2ccccc21)Nc1ccccc1F 65535080 FPGIETWJZULXMV-UHFFFAOYSA-N 431.402 3.628 0 40 IHAB Cc1ccc(C)c([C@H]2NC(=O)N(CC(=O)Nc3ccccc3C(C)C)C3=C2C(=O)OC3)c1 67288893 XSWNIBBTMKGUMI-HSZRJFAPSA-N 433.508 3.943 0 40 IHAB COc1ccccc1OCCN1C(=O)[C@](O)(CC(=O)c2ccccc2OC)c2ccccc21 68713425 FLWYHEOTALGMIU-SANMLTNESA-N 447.487 3.590 0 40 IHAB Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)nnn1CC(=O)NCc1ccc(F)cc1 71327405 NIYDMECNUQJIGO-UHFFFAOYSA-N 436.274 3.601 0 40 IHAB COC(=O)c1ccc(C(=O)Nc2cc3c(cc2NC(=O)c2cccs2)OCCO3)cc1 72309597 RIGCRWQVFDBASA-UHFFFAOYSA-N 438.461 3.811 0 40 IHAB CC(C)CNC(=O)c1cc([C@@H]2CN(C(=O)Cc3ccc(F)cc3)CCO2)nc2ccccc12 72352714 OORSZPSHMUGELK-DEOSSOPVSA-N 449.526 3.902 0 40 IHAB Cc1ccc2c(c1)C(=O)NCC1(CCC(N(C)S(=O)(=O)c3ccc(Cl)cc3)CC1)O2 72391118 ISORZZSMVJGLFA-UHFFFAOYSA-N 448.972 3.773 0 40 IHAB CN(C)C(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(C(=O)c2ccccn2)C1 72391301 WWUKBLGJVAMQHX-SANMLTNESA-N 428.536 3.697 0 40 IHAB Cc1nn([C@]2(C)CCS(=O)(=O)C2)c(C)c1/C=C1\SC(=O)N=C1Nc1ccccc1 72400912 JOJWHOQIAZGAMB-ZZODWALSSA-N 430.555 3.752 0 40 IHAB O=C(CSc1nc2ccsc2c(=O)n1Cc1ccccc1F)Nc1nccs1 90610087 LDEVBAWFHFZQHG-UHFFFAOYSA-N 432.527 3.833 0 40 IHAB O=S1(=O)c2ccccc2[C@@]2(CCN(Cc3nccs3)C2)N1Cc1ccc(F)cc1 96143158 DEURCUWYBDQEGF-NRFANRHFSA-N 429.542 3.588 0 40 IHAB O=C(NCCN1CCOCC1)c1ccc2onc(-c3csc(-c4ccccc4)n3)c2c1 96154462 QXSRUAZVIQOHPN-UHFFFAOYSA-N 434.521 3.680 0 40 IHAB Cc1ccc(C)c(C(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)c1 100560991 QEORKYWQHKDERW-HTUUBCJYSA-N 429.472 3.655 0 40 IHAB O=C(Nc1ccc2ncccc2c1)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 101420991 CDSKVFQQEZQMHN-PPMIAYNCSA-N 437.499 3.592 0 40 IHAB C/C(CC(=O)Nc1ccccc1F)=N\NC(=O)COc1ccc(Br)c(C)c1 108939408 FTQGBBFUGTXMRJ-YDZHTSKRSA-N 436.281 3.796 0 40 IHAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1nc(-c2ccc(OC)cc2OC)no1 219615394 UPXBAGGJGFMUKP-KRWDZBQOSA-N 431.876 3.881 0 40 IHAB C[C@@H](C(=O)NCCc1ccccc1)N(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 220375213 FROYWZXEGKHUGA-ZDUSSCGKSA-N 448.894 3.872 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)N[C@@H](C)c1ccc(C)c(C)c1 223457154 SESSVECWTYVYCH-IBGZPJMESA-N 444.597 3.907 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccccc2C)c2ccccc2)cc1 223539800 YXWJHAKJCBQDMA-UHFFFAOYSA-N 438.549 3.694 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(F)cc2)c2ccccc2)cc1 223540759 ZRCLUPXHUDFIJB-UHFFFAOYSA-N 442.512 3.525 0 40 IHAB COc1ccc(CN(C(=O)CCc2ccccc2)[C@@H](C(=O)NCCO)c2ccccc2)cc1 223562804 KDYGGJVRIWCUQA-AREMUKBSSA-N 446.547 3.506 0 40 IHAB CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccccc1 223932505 JARLHFWMTCTXGV-INIZCTEOSA-N 433.346 3.771 0 40 IHAB CSc1ccc(S(=O)(=O)NCCOc2ccccc2)cc1C(=O)N1CCC(C)CC1 224324787 KQHWZXZLHKPVAG-UHFFFAOYSA-N 448.610 3.638 0 40 IHAB C[C@H](Sc1ccccc1)C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1 224356037 DVUQYVPPJVMYGI-SFHVURJKSA-N 448.610 3.537 0 40 IHAB COc1ccc(CN(C(=O)COc2cc(C)ccc2C)[C@H](C)C(=O)NCC(C)C)cc1 224474947 BLZOSDJAOAXNRW-HXUWFJFHSA-N 426.557 3.880 0 40 IHAB COc1ccc(CCC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NCC(C)C)cc1OC 224509533 WMEFSXOJBJLXOO-HXUWFJFHSA-N 440.584 3.868 0 40 IHAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(SC)c(NC(=O)C(C)C)c2)cc1 224544080 FKLIFLQBZCRMND-UHFFFAOYSA-N 436.555 3.981 0 40 IHAB COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)[C@H](C)Oc2ccccc2)cc1 224561740 HUSNVGPQSNNEQE-INIZCTEOSA-N 426.494 3.902 0 40 IHAB Cc1cc(OCC(=O)NCc2ccc(CN3CCOCC3)cc2)cc(C)c1Br 224566560 VOULZKAWWRBMFX-UHFFFAOYSA-N 447.373 3.593 0 40 IHAB CCN1c2cc(OC)c(OC)cc2C(C)=C(C(=O)NC(C)(C)CC(C)(C)C)S1(=O)=O 224582168 ALDOEUQYFLVOPX-UHFFFAOYSA-N 438.590 3.936 0 40 IHAB CCN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(OC)c(Br)c1 224879244 MVPLMAIIWRIKDO-UHFFFAOYSA-N 430.320 3.690 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3ccc(C)cc3C)CC2)cc1 225497085 BYSZTNMTZWSZPO-GOSISDBHSA-N 430.570 3.590 0 40 IHAB Cc1ccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]45)[C@H]3C2=O)C(=O)c2ccccc2)c(C)c1 226399727 UBRRSJSTZHOYAV-MUWCXKAGSA-N 426.516 3.961 0 40 IHAB C[C@H](NC(=O)[C@@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2O1)c1ccc2c(c1)OCCO2 248278014 ZMVIGPBFQIFGMS-VKPGLYQFSA-N 448.519 3.590 0 40 IHAB Cc1ccc(NC(=O)C[C@@H]2C(=O)N[C@@H]3CCCC[C@H]3N2C(=O)c2cccs2)cc1Cl 251150714 KGKZYLYLFMCUMG-KZNAEPCWSA-N 445.972 3.991 0 40 IHAB C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@]4(O)[C@@H](C[C@H]5[C@H]4C[C@@H](O)[C@H]4C[C@@H](O)CC[C@@]45C)[C@@H]3CN2C1 252694631 NQGYOUYEGZOZBN-JBLHMWEASA-N 431.661 3.678 0 40 IHAB biogenic CCc1nnc(Nc2cc(C)nc([C@@H]3CN(C(=O)c4sc(C)nc4C)CCO3)c2)s1 257248826 JFJWWZPDHCALTE-INIZCTEOSA-N 444.586 3.835 0 40 IHAB CC(=O)N1CCC(Cc2cccc(F)c2)(C(=O)N2CCC[C@@H](Cc3ccccn3)C2)CC1 257261411 LHDYZKODMNEIRP-QFIPXVFZSA-N 437.559 3.873 0 40 IHAB CSc1nc(N2CCCC2)c2cc(C(=O)NCc3ccc4c(c3)OCO4)sc2n1 408636390 PKTYLCFXPBTROM-UHFFFAOYSA-N 428.539 3.672 0 40 IHAB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(C(=O)OC)cc3)C2=O)cc1 409093841 AUIBSLFAIPGRAC-LDADJPATSA-N 440.477 3.547 0 40 IHAB CCOc1c(Br)cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1OC 409199094 NSAMNAXJZUATPC-MHWRWJLKSA-N 431.286 3.949 0 40 IHAB COc1ccc(NC(SCc2ccc(Cl)cc2)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 409375698 OBQCMLLMZWEFJJ-UHFFFAOYSA-N 445.928 3.956 0 40 IHAB C[C@@H](C(=O)Nc1ccc(Br)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 409384067 ZAUUHPSYFYBFER-NSHDSACASA-N 431.739 3.896 0 40 IHAB O=S(=O)(NC[C@H](O)c1ccc(-c2cccs2)s1)c1ccc(-n2cccn2)cc1 618256024 MYZBHIJMWYTVEG-INIZCTEOSA-N 431.564 3.674 0 40 IHAB Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N[C@H](C)c1ccccc1OCc1ccccc1 618367632 IUDMPNFSXZZMTG-CQSZACIVSA-N 428.510 3.614 0 40 IHAB CCc1ccc(C(=O)N2CC[C@]3(CCc4nc(-c5ccccc5)cc(=O)n4CC3)C2)cn1 1614938581 WHWCMFOVFJPVTO-SANMLTNESA-N 428.536 3.737 0 40 IHAB CCOC(=O)c1cccc(Nc2nc3nonc3nc2Nc2cccc(C(=O)OCC)c2)c1 845954 APCGTHBHOZYFCC-UHFFFAOYSA-N 448.439 3.853 0 40 IHAB CCOc1ccc(NC(=S)N(CCO)Cc2cc3cc(C)c(C)cc3[nH]c2=O)cc1 878832 MLAQRCROGPHWLY-UHFFFAOYSA-N 425.554 3.735 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 1363719 WPJGKWWKLKDWMP-OAHLLOKOSA-N 433.917 3.967 0 40 IHAB O=C(NCCS(=O)(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1Cl 1391932 BAVXNQVXBSPKRG-UHFFFAOYSA-N 437.142 3.960 0 40 IHAB COc1ccc([C@@H]2C[C@H](c3ccccc3Cl)n3nc(N4C(=O)CCC4=O)nc3N2)cc1 2231774 UPLKQIXODFYQPU-ZWKOTPCHSA-N 437.887 3.740 0 40 IHAB CCOC(=O)[C@H](C)Oc1cc2c(C(=O)OCCOC)c(C)oc2cc1Br 2320590 HOVDCIDXYXMONQ-NSHDSACASA-N 429.263 3.637 0 40 IHAB biogenic CCOC(=O)c1c(NC(=O)COC(=O)c2cccnc2OCC)sc2c1CC[C@H](C)C2 3343206 DKGLZFHWFMHDIA-ZDUSSCGKSA-N 446.525 3.639 0 40 IHAB Cc1cc2oc(=O)cc(COC(=O)c3cccc(S(=O)(=O)N(C)C)c3)c2cc1C(C)C 3511261 KCGBZZYGUIYDOJ-UHFFFAOYSA-N 443.521 3.832 0 40 IHAB CCOC(=O)COc1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1OCC 3659090 FOQQTMAQENGEIC-LICLKQGHSA-N 444.871 3.778 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCSCCSCCSCCSCC2)cc1 5839723 IEOHUEREWMUYFV-UHFFFAOYSA-N 437.743 3.932 0 40 IHAB CN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N=c2[nH]c3ccccc3[nH]2)ccc1Cl 6101346 JILWTTRXNABHDP-UHFFFAOYSA-N 440.912 3.716 0 40 IHAB aggregator Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)Nc2ccc(N3CCCC3)cc2)cc1 6822012 SMGDJFGWNKJKMK-QFIPXVFZSA-N 427.570 3.777 0 40 IHAB O=C(Nc1ccccc1)C1CCN(C(=O)CSc2nccn2-c2cccc(F)c2)CC1 8724242 UQLRYAIJQZPPNG-UHFFFAOYSA-N 438.528 3.981 0 40 IHAB Cc1ccc(OCC(=O)Nc2sc3c(c2C(=O)NC[C@H]2CCCO2)CCCC3)cc1 8779061 QMDIPDKSNWCMLR-QGZVFWFLSA-N 428.554 3.862 0 40 IHAB CCCCN1C(=O)[C@](O)(CC(=O)c2ccc(I)cc2)c2ccccc21 8921618 OWUGIPWYYWMDMA-FQEVSTJZSA-N 449.288 3.899 0 40 IHAB O=C(CNc1ccccc1N1CCCCC1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 8965534 JRLKSRJJTYAIAR-UHFFFAOYSA-N 442.585 3.512 0 40 IHAB CCN(CC(=O)NCc1cccs1)S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 9128011 AOHJGQOEBLQVQK-UHFFFAOYSA-N 440.896 3.747 0 40 IHAB O=C(NCCc1nc2ccccc2[nH]1)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccco1 9192837 NYTRYVUACIPZRQ-RGEXLXHISA-N 434.883 3.939 0 40 IHAB CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCC(=O)N1CCCc2ccccc21 9328694 NUVFZAAREOZFRB-UHFFFAOYSA-N 449.580 3.608 0 40 IHAB O=C(NC[C@@H](c1ccco1)N1CCCC1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 9337489 SMRQPNWKJDKOIK-FQEVSTJZSA-N 429.948 3.739 0 40 IHAB COc1ccccc1[C@@H](CNC(=O)COc1ccc(C(=O)c2ccccc2)cc1)N(C)C 9463581 OYAZUJLRPLHDHS-HSZRJFAPSA-N 432.520 3.724 0 40 IHAB CCc1nnc(NC(=O)CSc2ncnc3c2cnn3-c2cccc(Cl)c2)s1 9517728 ADTWZMAAPRRGJC-UHFFFAOYSA-N 431.934 3.614 0 40 IHAB CCOC(=O)C1=C(COC(=O)[C@H](C)Sc2ccccc2)NC(=O)N[C@@H]1c1ccccc1 9669454 YMQYAIHPPSFDDD-MGPUTAFESA-N 440.521 3.582 0 40 IHAB CCOc1ccc(NC(=O)/C=C/c2ccc(OC)cc2)cc1S(=O)(=O)N1CCCCC1 9704262 QZQZWMTYBNQDHZ-NTEUORMPSA-N 444.553 3.920 0 40 IHAB O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N[C@@H]1CCN(Cc2ccccc2)C1 9783461 GIDLZNNWZHGJMQ-HXUWFJFHSA-N 444.560 3.516 0 40 IHAB COc1cccc(C(=O)Oc2coc(CSc3nc(C)cc(C)n3)cc2=O)c1OC 9829217 LAPDSRRIRZRIML-UHFFFAOYSA-N 428.466 3.575 0 40 IHAB CC(C)c1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(C(C)C)cc4)C(=O)[C@H]32)cc1 9837321 ARILGLQBIPYFNO-VXKWHMMOSA-N 433.512 3.865 0 40 IHAB CS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2c(Cl)cccc2C(F)(F)F)cc1 9963916 SGRPFDYTVRTURH-UHFFFAOYSA-N 435.807 3.558 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(OC(C)C)cc3)C2)cc1 10008515 HTMYFRGEKKJDIO-QGZVFWFLSA-N 432.542 3.522 0 40 IHAB COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c2ccccc12 10186842 MCSFOWUPZRQLFU-UHFFFAOYSA-N 430.551 3.949 0 40 IHAB COc1ccc(CC(=O)N2CCC[C@@H](c3nc4ccc(F)cc4cc3C(N)=O)C2)cc1C 12256282 AGJHRKMUBYCMTH-QGZVFWFLSA-N 435.499 3.739 0 40 IHAB CC(=O)N[C@@H](CC(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1cccs1 12270358 FCNYMIXCGPNPKC-AWEZNQCLSA-N 429.523 3.849 0 40 IHAB COc1ccc(Cl)c2sc(N(CCN(C)C)C(=O)c3ccc4c(c3)OCCO4)nc12 12345220 QFVKPTZTSNICRC-UHFFFAOYSA-N 447.944 3.938 0 40 IHAB COc1ccc(OC)c(S(=O)(=O)N2CCn3cccc3[C@@H]2c2ccc(Cl)cc2)c1 12361418 OVEZWBLBKDXTLC-NRFANRHFSA-N 432.929 3.953 0 40 IHAB COc1cccc(-n2cnnc2SCC(=O)N2CCS[C@H]2c2ccccc2F)c1 12532744 UDRAMIKXAMCPMK-IBGZPJMESA-N 430.530 3.781 0 40 IHAB CC(C)(C)OC(=O)N1CCc2nc(NC(=O)c3ccc4c(c3)OCCCO4)sc2C1 12755183 HXXBCEXCICRDAO-UHFFFAOYSA-N 431.514 3.850 0 40 IHAB CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)CCNC(=O)c1ccccc1 12780703 QOPKCUKBEQPGEQ-UHFFFAOYSA-N 441.837 3.576 0 40 IHAB C[C@H]1C[C@@H]1C(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OCC(F)(F)F 12784944 YMDWRZWERPPICJ-ZFWWWQNUSA-N 434.480 3.787 0 40 IHAB COc1ccc([C@@H]2CCCN2CC(=O)NC2CCN(Cc3ccccc3)CC2)c(OC)c1 12796475 ZJPPRXSDTXOVTM-DEOSSOPVSA-N 437.584 3.622 0 40 IHAB CCOc1ccccc1-n1nnnc1S[C@H](C)C(=O)NC(=O)Nc1ccc(C)cc1C 12814514 CXYQVCZBNOXHSK-OAHLLOKOSA-N 440.529 3.507 0 40 IHAB O=C(NC1CCCC1)[C@@H](c1ccccn1)N(Cc1ccc(F)cc1)C(=O)c1csnn1 12872038 HFUAOBIDTVHRSS-HXUWFJFHSA-N 439.516 3.515 0 40 IHAB CC1(C)Oc2ccc(C(=O)NC3CCCCC3)cc2N(CC(=O)NCc2ccccc2)C1=O 12875337 XRFGAXJXSPCSQT-UHFFFAOYSA-N 449.551 3.570 0 40 IHAB Cc1ccc(CSc2nnc(NC(=O)Cn3cccc(C(F)(F)F)c3=O)s2)cc1 13003841 NCAGIUWZNITEHZ-UHFFFAOYSA-N 440.472 3.958 0 40 IHAB C[C@H](SCc1nc(N)nc(Nc2ccc(Cl)cc2)n1)C(=O)NCCc1ccccc1 13014183 SFICGKFFVFMNRE-AWEZNQCLSA-N 442.976 3.831 0 40 IHAB Cc1c(NC(=O)[C@H](C)OC(=O)c2ccc(CC(C)C)cc2)c(=O)n(-c2ccccc2)n1C 13149735 QSGUQAMJVDLCKG-SFHVURJKSA-N 435.524 3.867 0 40 IHAB CC[C@H](C)[C@H](NC(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12)C(=O)NC1CCCCCC1 13555016 MMHWBXLBUASUDR-YTCTWSIISA-N 443.613 3.626 0 40 IHAB c1ccc(Cn2c(SCc3ccc(-n4cccn4)cc3)nnc2N2CCOCC2)cc1 14023143 WAYIIUQUWPUMMW-UHFFFAOYSA-N 432.553 3.641 0 40 IHAB COc1ccc(Cl)cc1NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1 14463186 RBQNWYHYQXDDCO-UHFFFAOYSA-N 428.963 3.766 0 40 IHAB O=C1OCCCCOC(=O)c2ccc(cc2)C(=O)OCCCCOC(=O)c2ccc1cc2 14650469 SFNCDJVWOAZMFE-UHFFFAOYSA-N 440.448 3.588 0 40 IHAB biogenic,in-vitro CCOc1ccc(C(=O)NC(=S)Nc2cc(OC)ccc2O)cc1Br 17094283 LSLOCTVKPYDNRL-UHFFFAOYSA-N 425.304 3.689 0 40 IHAB Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 18083190 LFBZXRHYVFESHI-YYDVJCTNSA-N 426.582 3.615 0 40 IHAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc(C2CC2)nc2ccccc12 19626281 LGUNFTDEMFMAGT-UHFFFAOYSA-N 425.510 3.623 0 40 IHAB CCN1C(=O)COc2ccc(-c3csc(NC(=O)c4cc(OC)cc(OC)c4)n3)cc21 19796483 PDPXBYDXAUDKEH-UHFFFAOYSA-N 439.493 3.825 0 40 IHAB O=C(Nc1ccc(F)c(F)c1F)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 20016600 WVVOJODPFSXIIY-NSHDSACASA-N 432.851 3.797 0 40 IHAB Cc1cc(=O)oc2cc(OCc3noc(C(=O)NCc4cccc(Cl)c4)n3)ccc12 20723936 LSEJUQONGPIAMY-UHFFFAOYSA-N 425.828 3.647 0 40 IHAB CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CCCN1C(=O)c1cccs1 21914591 DOPHQFTWPZPINK-HNNXBMFYSA-N 440.352 3.757 0 40 IHAB COc1ccccc1-c1nn(CN2CCCN(C)CC2)c(=S)n1CCc1ccccc1 22038940 LQQLDSIRRMLBST-UHFFFAOYSA-N 437.613 3.927 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCC2)c2cccc(Br)c2)cc1 22276213 HZLYNODNYJLECZ-UHFFFAOYSA-N 437.359 3.575 0 40 IHAB O=C(CN1CCN(Cc2ccsc2)CC1)Nc1ccc2c(c1)OC1(CCCCC1)O2 22786029 GIFJZSKQLQWPSW-UHFFFAOYSA-N 427.570 3.936 0 40 IHAB CCc1ccc2nc(NC(=O)c3cccc(S(=O)(=O)NC[C@@H]4CCCO4)c3)sc2c1 23054916 RJTZVPVAUKNKFO-INIZCTEOSA-N 445.566 3.568 0 40 IHAB Cc1ccc(OCC(=O)N2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)cc1 24918818 UUVNHNZVEBHTGR-UHFFFAOYSA-N 425.529 3.981 0 40 IHAB COc1ccc(OC)c2c1CN(Cc1nc(=O)c3cc(-c4ccccc4)sc3[nH]1)C[C@@H]2O 26157755 FRAUOEFKBBCGIT-KRWDZBQOSA-N 449.532 3.718 0 40 IHAB Cn1c(=O)oc2cc(S(=O)(=O)Nc3cccc(OCc4ccc(F)cc4)c3)ccc21 26543984 WILGLOPMSLCDIH-UHFFFAOYSA-N 428.441 3.650 0 40 IHAB Cc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(Cl)ccc3o2)N2CCOCC2)cc1 28289493 OFKFZGYOOIUZFM-LJQANCHMSA-N 426.900 3.558 0 40 IHAB CN(CC(=O)NCCSCc1ccc(Br)s1)C(=O)c1ccccc1 30201515 ALYROPKVVDGCCC-UHFFFAOYSA-N 427.389 3.632 0 40 IHAB CCSc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 30852807 POAXFBKKXCXAHK-UHFFFAOYSA-N 440.974 3.725 0 40 IHAB O=C(NC1CCN(C(=O)[C@H](NC(=O)c2cccs2)c2ccccc2)CC1)c1ccccc1 32876615 GUNLUMPQBDJJAC-JOCHJYFZSA-N 447.560 3.640 0 40 IHAB CCn1cc(C(=O)N2CCN(Cc3nc(-c4ccc(OC)cc4)no3)CC2)c2ccccc21 32904591 KOSRFDKNDRNCGK-UHFFFAOYSA-N 445.523 3.678 0 40 IHAB CCC(=O)c1ccc(OC[C@@H](O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 32907317 IUKSTTTVCVYONS-ZBFHGGJFSA-N 426.538 3.615 0 40 IHAB Cc1cccn2c(=O)cc(COc3ccccc3NC(=O)COc3ccccc3F)nc12 33067846 OATALQFPJHUMDI-UHFFFAOYSA-N 433.439 3.739 0 40 IHAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccn3-c3ccc(Cl)c(C)c3)C2=O)o1 33430214 YREMFCZZWLIEHJ-WQRHYEAKSA-N 439.855 3.912 0 40 IHAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CN1C(=O)[C@H]3CCCC[C@H]3C1=O)CC2 34896528 VMFRXLRGUXWEOY-JXALWOEJSA-N 434.536 3.784 0 40 IHAB C[C@@]1(c2cccc(NC(=O)c3ccc(C4SCCCS4)cc3)c2)NC(=O)NC1=O 40111082 ZQXAGJDKQKZJIF-NRFANRHFSA-N 427.551 3.862 0 40 IHAB CC(C)n1cnc2nc(COc3ccc(Cl)cc3NC(=O)c3ccccc3)cc(=O)n21 41089753 MIMSEXKOABNOMQ-UHFFFAOYSA-N 437.887 3.957 0 40 IHAB COc1cccc(-c2cc(=O)n(CC(=O)Nc3ccccc3Br)c(C)n2)c1 49404734 WUPUEOLRDDSOHE-UHFFFAOYSA-N 428.286 3.629 0 40 IHAB Cc1ccc(-n2cc(C(=O)N3CCC(NC(=O)c4ccc(C(C)(C)C)cc4)CC3)nn2)cc1 49405934 ARYMOOVMBXASDN-UHFFFAOYSA-N 445.567 3.908 0 40 IHAB COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)Nc2nnc(C3CCCCC3)s2)n1 49546713 YLVONZUDMDABCG-UHFFFAOYSA-N 443.504 3.596 0 40 IHAB C[C@H]1CN(Cc2csc(NC(=O)c3cnn(-c4ccc(Cl)cc4)c3)n2)C[C@H](C)O1 58110134 RHTRGWYKIFFUPL-KBPBESRZSA-N 431.949 3.844 0 40 IHAB CCc1ccc(CNC(=O)CCn2nc(-c3ccc(Br)cc3)ccc2=O)cc1 67261635 INEUWMAAWSLZJA-UHFFFAOYSA-N 440.341 3.942 0 40 IHAB C[C@H](NC(=O)CCn1nc(-c2ccc(Br)cc2)ccc1=O)c1ccccc1 67261666 TYBBJDYWZIUYDZ-HNNXBMFYSA-N 426.314 3.940 0 40 IHAB CC[C@@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)Nc2nnc(COC)s2)C12CCCC2 71280854 IESWRLNMHKEQIV-KDOFPFPSSA-N 428.558 3.974 0 40 IHAB C[C@@H](c1ccccc1)N(C)C(=O)CN1CCN(Cc2ccc(Br)s2)CC1 96845427 QKVNAISVOYKUNZ-INIZCTEOSA-N 436.419 3.848 0 40 IHAB COc1ccccc1C(=O)N1[C@H](C(=O)Nc2ccc(-n3cncn3)cc2)C[C@H]2CCCC[C@@H]21 106860569 RNPNQAMQFIAFCP-WTNAPCKOSA-N 445.523 3.688 0 40 IHAB COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CSc1nc2ccccc2s1 206802124 AWMDUYGDMAUUFU-CJNGLKHVSA-N 446.525 3.749 0 40 IHAB COC(=O)c1ccc(S(=O)(=O)N2CCS[C@@H](c3cc(F)ccc3F)CC2)cc1 219355159 ONUCPSALCWFDHA-GOSISDBHSA-N 427.494 3.620 0 40 IHAB CC[C@H](C(=O)Nc1ccc(OC)c(OC)c1)N(c1cc(Cl)ccc1C)S(C)(=O)=O 220710577 QWAUREZJOVCMBM-MRXNPFEDSA-N 440.949 3.849 0 40 IHAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1ccc(OC)cc1 222531528 FLAYTWMBJQXOOE-DEOSSOPVSA-N 434.511 3.763 0 40 IHAB COc1ccc(CN(C)C(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)cc(C)cc3C)C2)cc1 222562760 PPSRAWLNFSAKRZ-NRFANRHFSA-N 444.597 3.680 0 40 IHAB C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)c1ccc2c(c1)CCC2 223230808 XCWLZHHMUITVDH-BTYIYWSLSA-N 432.973 3.859 0 40 IHAB CCOc1ccc(-c2noc(CNS(=O)(=O)c3cc(Cl)ccc3Cl)n2)cc1 223587002 JHDOTMLGTBXWCL-UHFFFAOYSA-N 428.297 3.921 0 40 IHAB Cc1cc(C(=O)NCc2cccnc2)ccc1N(C)S(=O)(=O)c1ccc(Cl)cc1 224217664 JMJGGWAURJJCAT-UHFFFAOYSA-N 429.929 3.799 0 40 IHAB Cc1ccccc1NS(=O)(=O)c1ccc(NS(=O)(=O)Cc2ccc(F)cc2)cc1 224550065 OBTBEQHBFNSMJH-UHFFFAOYSA-N 434.514 3.877 0 40 IHAB CCc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2cc(Cl)ccc2OC)S(C)(=O)=O)cc1 224650584 SRZAAZHADZRGBL-LSDHHAIUSA-N 438.977 3.943 0 40 IHAB C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 245267420 LQDKNJLLJULMEN-VKJFTORMSA-N 443.407 3.545 0 40 IHAB Cn1nc([C@@H]2CN(C(=O)CCc3ccccc3)CCO2)cc1CCOc1cccc(F)c1 257214207 CLARBYDRZGPKHZ-DEOSSOPVSA-N 437.515 3.713 0 40 IHAB COc1ccc2c(c1)[C@H]1OCC3(CCN(C(=O)C4CCN(C)CC4)CC3)C[C@@H]1C(C)(C)O2 257305609 SQTJJVHXKAQUGS-JTHBVZDNSA-N 442.600 3.894 0 40 IHAB O=C(N1C[C@H](O)[C@@H](N2CCC(F)(F)CC2)C1)C1(c2ccc(Cl)cc2)CCCCC1 257310203 UECWETACWASLJP-OALUTQOASA-N 426.935 3.845 0 40 IHAB Cc1cccc(CC(=O)N2CC[C@@H](c3nc(C)c(CC(=O)NC4CCCCC4)c(C)n3)C2)c1 257321070 VZZARLNLEONMJE-JOCHJYFZSA-N 448.611 3.952 0 40 IHAB COC(=O)COc1c(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)cccc1OC 408526884 CSXPZSFZBCGUTH-LICLKQGHSA-N 431.441 3.623 0 40 IHAB CCc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2OC)C1 408561292 RWONYYVDCFPOQW-MRXNPFEDSA-N 436.961 3.950 0 40 IHAB O=C(O)CC[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc(Br)cc2)CC1 408604061 CZOUPTHVBLYPSU-IBGZPJMESA-N 431.330 3.813 0 40 IHAB COC(=O)c1cc(NC(=O)CCCN(c2cccc(C)c2)S(C)(=O)=O)ccc1Cl 408678053 DUIQAESMEDNXAO-UHFFFAOYSA-N 438.933 3.620 0 40 IHAB C[C@]1(c2cccc(-c3noc(-c4ccc5[nH]c6c(c5c4)CCCC6)n3)c2)NC(=O)NC1=O 547210073 VNSOXRRPVUCRHO-XMMPIXPASA-N 427.464 3.818 0 40 IHAB CCn1cc(S(=O)(=O)N2CCC(c3cccc(Nc4ncc(C)s4)n3)CC2)c(C)n1 585262726 ZUWKXHXTDMUYBY-UHFFFAOYSA-N 446.602 3.683 0 40 IHAB CCOc1ccc(N2C[C@H](C(=O)Nc3ccc(Br)c(OC)c3)CC2=O)cc1 639563 UOVNRFUIGVEMSI-CYBMUJFWSA-N 433.302 3.848 0 40 IHAB COc1cc2cc(CN(Cc3ccco3)C(=S)NCC(C)C)c(=O)[nH]c2cc1OC 895130 UDLRUVGIAFCQEQ-UHFFFAOYSA-N 429.542 3.671 0 40 IHAB C[C@@H](Sc1nnc2n(C)c(=O)c3c4c(sc3n12)CCCC4)C(=O)Nc1ccccc1 1306054 GEKIMBWRYIPDRR-GFCCVEGCSA-N 439.566 3.641 0 40 IHAB CCCc1nc(SCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c2ccccc2n1 1342746 VCUPRQDEFIQQFH-UHFFFAOYSA-N 444.582 3.563 0 40 IHAB O=C(COC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)NCc1ccc(F)cc1 2648983 HACSITIUPDJVDG-QFIPXVFZSA-N 434.467 3.547 0 40 IHAB CCn1cc(CN(C)C(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccco2)N3)c(C)n1 3645199 IOJSWBMPAAXLFC-WMLDXEAASA-N 436.438 3.933 0 40 IHAB CC(=O)OCC(=O)[C@@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@@]21C 4027458 BNPNBAWUHPQBIR-NTEVEYFYSA-N 426.509 3.649 0 40 IHAB biogenic O=C1C2[C@@H](c3cccnc3)N[C@H](c3cccnc3)C1[C@H](c1cccnc1)N[C@@H]2c1cccnc1 4042633 LDJCBJLZNMUUBF-BYFSLCQZSA-N 448.530 3.540 0 40 IHAB Cc1ccc(NC(=O)C[C@H]2C(=O)N[C@H]3CCCC[C@@H]3N2C(=O)c2ccc(F)cc2)cc1C 4195496 ATHCHAZVWVEPPU-FKBYEOEOSA-N 437.515 3.723 0 40 IHAB CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=S)N1CCN(c2ccccc2)CC1 8684530 DYNZADKKIQMCRE-UHFFFAOYSA-N 438.553 3.872 0 40 IHAB COc1ccc(CN(C(=O)Cc2coc3cc(C)ccc23)[C@H]2CCS(=O)(=O)C2)cc1 8915149 PHVAJCWFVMQZDY-IBGZPJMESA-N 427.522 3.508 0 40 IHAB O=C(CCn1ccc2ccccc21)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 9111699 XCQJHYFAMHJLEB-UHFFFAOYSA-N 438.487 3.558 0 40 IHAB COc1ccc(S(=O)(=O)N[C@H](CCSC)C(=O)Nc2ccc(C)c(Cl)c2)cc1 9120631 ANZGHVBMBVTUED-GOSISDBHSA-N 442.990 3.696 0 40 IHAB Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)COc2ccc3c(c2)CCC3)c1C 9125781 YDGOSZMCNWZUSF-HSZRJFAPSA-N 436.552 3.817 0 40 IHAB Cc1cccc(NC(=O)CNC(=O)CSc2nnc(Nc3ccccc3F)s2)c1C 9255375 ZWDAIEQOKHEFHW-UHFFFAOYSA-N 445.545 3.885 0 40 IHAB O=C(CSc1nc2nccnc2c(=O)n1Cc1ccc(Cl)cc1)Nc1ccccc1 9405309 WSCAXFRFAJSPLF-UHFFFAOYSA-N 437.912 3.619 0 40 IHAB COc1cccc(N2CCN(C(=O)CNC(=O)c3sc4ccccc4c3Cl)CC2)c1 9469749 TTXCFNZNZBKZMM-UHFFFAOYSA-N 443.956 3.642 0 40 IHAB Cc1cc(-n2c(C)cc(C(=O)Cn3cnc4ccc(Br)cc4c3=O)c2C)no1 9495364 HQUJVZNRYZTRRQ-UHFFFAOYSA-N 441.285 3.746 0 40 IHAB O=C(Nc1cccc(Br)c1)C1CCN(S(=O)(=O)c2cccs2)CC1 9504822 XWQIOEKRLSADEB-UHFFFAOYSA-N 429.361 3.550 0 40 IHAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccccc1Cc1ccccc1 9585013 MHLAABKFRFJART-NRFANRHFSA-N 439.537 3.674 0 40 IHAB COc1ccc(C)cc1NC(=O)COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 9633222 ZGYPXRWAEFXUIP-UHFFFAOYSA-N 444.443 3.600 0 40 IHAB CC[C@@](C)(C(=O)NC1CCCC1)N(Cc1cccs1)C(=O)CNC(=O)c1ccccc1 9834859 HXJKCAAMAMXRPF-DEOSSOPVSA-N 441.597 3.734 0 40 IHAB C[C@@H](Sc1nnc(C2CC2)n1Cc1ccco1)C(=O)N1CCN(c2ccccc2)CC1 10557791 AICVJQYUBSLFSA-QGZVFWFLSA-N 437.569 3.626 0 40 IHAB O=C(CN1CC[C@H]2CCCC[C@@H]2C1)N1C[C@@H](c2csnn2)[C@H](c2ccc(F)cc2)C1 12182846 YUFIVQLRNWVUCL-FRTACKCFSA-N 428.577 3.899 0 40 IHAB O=C(C[C@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21)Nc1ccc(F)cc1F 12233156 NENDWBXRJSSDPL-AWEZNQCLSA-N 439.447 3.536 0 40 IHAB COc1ccc(S(=O)(=O)N2CCn3cccc3[C@@H]2c2ccc(Cl)cc2)cc1OC 12361408 CFASXMJVKVUNQB-NRFANRHFSA-N 432.929 3.953 0 40 IHAB Cc1cc2n(C[C@H](O)COc3ccc(C(C)(C)c4ccccc4)cc3)c(C)cc(=O)n2n1 12755728 JIPKMXRDNNTQKT-QFIPXVFZSA-N 431.536 3.879 0 40 IHAB C[C@H](NC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)c1ccc(F)c(F)c1 12817926 KFNDJGLVWNXTHB-UKYUDJEDSA-N 434.508 3.855 0 40 IHAB CCOc1c(Br)cc(C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)cc1OC 12907728 QRGAVZWBYJMJLZ-CYBMUJFWSA-N 445.317 3.928 0 40 IHAB CCOC(=O)c1sc2nc(/C=C/c3cc(OC)c(OC)c(OC)c3)[nH]c(=O)c2c1C 13141420 PWDHMOWFQYUUMT-BQYQJAHWSA-N 430.482 3.666 0 40 IHAB CC[C@H](NS(=O)(=O)c1ccc(OC)c(NC(C)=O)c1)c1ccc(Br)cc1 14077454 VCLSXXWIWBWIQU-INIZCTEOSA-N 441.347 3.846 0 40 IHAB CCN(Cc1ccc(Cl)s1)C(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O 14110771 XEPSNISNFDMHTP-QFIPXVFZSA-N 445.972 3.706 0 40 IHAB O=C(NCc1ccc(N2CCCC2=O)cc1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 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CCOc1ccc(C(=O)Nc2ccc3c(c2)N(S(=O)(=O)CC)CCC3)cc1OCC 17315547 SMAPVYSYFLYCCE-UHFFFAOYSA-N 432.542 3.839 0 40 IHAB COc1ccccc1CC(=O)N1CCCC[C@@H]1c1nc(N(C)C)ncc1-c1cc(C)no1 19121885 RYYJFNJBWZQWTG-LJQANCHMSA-N 435.528 3.811 0 40 IHAB Cc1cccc(CC(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CN(C2CCC(C)CC2)CC3)c1 19234716 UVZBTUDRDKYTNH-SXKUEDQZSA-N 448.611 3.921 0 40 IHAB CCc1cc(C(F)(F)F)c2c(C3CCN(C(=O)COC[C@H]4CCCO4)CC3)noc2n1 19522057 VAYUEEYBLDTSRZ-OAHLLOKOSA-N 441.450 3.706 0 40 IHAB COc1ccc(-c2nnc3n2[C@@H]2CCCC[C@@H]2N(C(=O)c2oc(C)nc2C)C3)cc1OC 19559374 ACXLMOYGQPRRCJ-DLBZAZTESA-N 437.500 3.707 0 40 IHAB COc1ccccc1-c1ccccc1C[C@@H]1CN(C(=O)Cc2ccc(F)cc2)CCNC1=O 19571774 QAMFDDBSSXAQJB-OAQYLSRUSA-N 446.522 3.861 0 40 IHAB COc1cc(OC)c(C(=O)N2CCO[C@H](c3cc4cc(F)ccc4cn3)C2)cc1OC 19594946 KWEPTEZIKVGDGR-QFIPXVFZSA-N 426.444 3.613 0 40 IHAB COc1ccc(-c2cnc(N(C)C)nc2C2CCN(C(=O)CCn3ccnc3C)CC2)cc1 19695286 MTWBSFGAKJVLGD-UHFFFAOYSA-N 448.571 3.519 0 40 IHAB COc1cccc(C(=O)N2CCC(Cc3cccc(-c4cccnc4)c3)(C(N)=O)CC2)c1 19700337 CCSTXWZZCIXWKC-UHFFFAOYSA-N 429.520 3.708 0 40 IHAB Cn1cc(C(=O)NC2CCCC2)c(CC2CCN(C(=O)c3cc4ccccc4o3)CC2)n1 19758646 IWFUPBAHIJLLMB-UHFFFAOYSA-N 434.540 3.934 0 40 IHAB Cc1ccc(C)c([C@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)c1 19933460 HLDIHMOUDWNKMO-SFHVURJKSA-N 432.561 3.862 0 40 IHAB COc1cc(C(C)=O)ccc1O[C@H](C)C(=O)Nc1ccc(I)cc1 21572968 QOOPQDORGLSQBC-GFCCVEGCSA-N 439.249 3.908 0 40 IHAB C[C@H](OC(=O)CCNC(=O)CCC(=O)c1cccs1)c1nnc(-c2ccccc2)o1 21732028 HMUFIDFIHHFEKG-AWEZNQCLSA-N 427.482 3.572 0 40 IHAB CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc3c(C(F)(F)F)cc(=O)oc3c2)cc1 21820851 GAYYYMQVHPIPPY-UHFFFAOYSA-N 427.356 3.538 0 40 IHAB COc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1S(=O)(=O)NCc1ccccc1 22537831 UPZHBWMTSANURE-MRXNPFEDSA-N 442.512 3.804 0 40 IHAB CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN[C@@H](C)c2ccc(Cl)cc2Cl)C1=O 24808724 YLZHKBWWIKLMTL-ZSEKCTLFSA-N 449.338 3.533 0 40 IHAB COc1ccc(-c2nc(COc3ccccc3C(=O)N3CCOCC3)cs2)cc1OC 32883589 LLLQXPIHCHWVFE-UHFFFAOYSA-N 440.521 3.879 0 40 IHAB COCCn1c(S[C@@H](C)C(=O)NC(=O)NC2CCCCC2)nnc1-c1cccc(C)c1 32911088 BMRWBGXDWUYFFJ-INIZCTEOSA-N 445.589 3.539 0 40 IHAB Cc1cc2nc(CSc3nnc(NC(=O)c4ccc(Cl)cc4)s3)cc(=O)n2o1 35426818 BSNGPXMHMGRCJB-UHFFFAOYSA-N 433.902 3.645 0 40 IHAB CC1(C)C[C@@H]2C[C@@](C)(CN2[C@H](C(=O)O)c2c[nH]c3ccc(NC(=O)/C=C/C(=O)O)cc23)C1 36358525 VZCFUIKILGYNGM-VSBRJSFKSA-N 439.512 3.774 0 40 IHAB Cc1cccc(-n2c(N)cc(=O)nc2SCC(=O)Nc2ccc(Br)cc2)c1 36612276 DNEZOJGMYZEITP-UHFFFAOYSA-N 445.342 3.616 0 40 IHAB CC(=O)c1ccc(NC(=O)c2nnn(-c3ccccc3)c2CSc2ncccn2)cc1 38489569 OFWMZDYLGXFBLV-UHFFFAOYSA-N 430.493 3.805 0 40 IHAB COc1cc(OC)c([C@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3ncnn32)cc1OC 40485009 SUWFFGFCXMLQJL-NRFANRHFSA-N 435.484 3.540 0 40 IHAB COc1ccc(CNC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)c(OC)c1OC 44882764 WHZQSCLVSBTPGZ-SFHVURJKSA-N 432.948 3.894 0 40 IHAB CC(=O)c1ccc(N2CCN(C(=O)c3nnn(-c4ccc(C)c(Cl)c4)c3C)CC2)cc1 51317438 STCBMCMOXUYPDM-UHFFFAOYSA-N 437.931 3.703 0 40 IHAB CN(C(=O)Cn1c(=O)n(Cc2ccccc2Cl)c(=O)c2sccc21)C1CCCCC1 57427952 CNJVZTCTFIVGGQ-UHFFFAOYSA-N 445.972 3.718 0 40 IHAB CCN(Cc1ccccc1)C(=O)Cn1c(=O)n(-c2ccc(C)c(C)c2)c(=O)c2sccc21 57491106 HYVPCGXQMQTXQE-UHFFFAOYSA-N 447.560 3.879 0 40 IHAB CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)C1CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC1)C2 69209494 VBIMVPWQQQESTK-YOMUGFJLSA-N 440.556 3.697 0 40 IHAB COc1ccccc1CNC(=O)c1cnn(-c2ccc(-c3nc(C(C)C)no3)cn2)c1C 71768678 BJXXDHQPUXURBV-UHFFFAOYSA-N 432.484 3.688 0 40 IHAB C[C@H](NC(=O)CNC(=O)CN(CCc1ccccc1)c1ccc(O)cc1)c1ccc(F)cc1 72308366 CTRZONQIQTUTDI-IBGZPJMESA-N 449.526 3.574 0 40 IHAB CCn1cc(CN2CCC[C@@H]([C@H](NC(=O)c3ccccc3OC)c3ccccn3)C2)c(C)n1 72330539 BHOGBXYPSKHJAI-NLFFAJNJSA-N 447.583 3.998 0 40 IHAB Cn1ccnc1[C@H](O)c1cccc(F)c1N1CCN(Cc2c(F)cccc2Cl)CC1 72340563 OWHFPNBGBPFJLT-OAQYLSRUSA-N 432.902 3.756 0 40 IHAB CCOc1ccc(CCC(=O)N2CCC[C@H](c3nc(-c4ccccc4)c(C(N)=O)[nH]3)C2)cc1 72370187 GTIZGSZFRQDOEJ-FQEVSTJZSA-N 446.551 3.913 0 40 IHAB CC(=O)Oc1ccccc1C(=O)NCCN1C(=O)S/C(=C/c2ccccc2Cl)C1=O 96398812 LAPWKCGXDDTOGM-LDADJPATSA-N 444.896 3.732 0 40 IHAB CC[C@H](C)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](C(=O)C(C)(C)C)N1c3c(ccc4cccnc34)C=C[C@H]21 103460179 AFBKHIUFLLKDFT-GFQCNRQUSA-N 431.536 3.834 0 40 IHAB Cc1nn(C(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)c2c1[C@H]1[C@H](C2)C1(C)C 104118538 FQAZSDGOMZMZSF-HRAATJIYSA-N 432.501 3.553 0 40 IHAB CCOC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(Br)cc1 113880520 SWMWDJHDPQJXLZ-UHFFFAOYSA-N 426.332 3.824 0 40 IHAB Cc1ccc(Oc2ccc(N3C[C@H](C(=O)OCC(=O)Nc4cc(C)on4)CC3=O)cc2)cc1 138659119 ULWRAHAOAINVSI-QGZVFWFLSA-N 449.463 3.619 0 40 IHAB Cc1ccc2c(c1)[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c3cccs3)C1)CC(C)(C)O2 219259162 ZUXOXARLVCBFGO-FUHWJXTLSA-N 448.610 3.876 0 40 IHAB Cc1cccc(N(CCCC(=O)NCCSCc2ccccc2F)S(C)(=O)=O)c1 219619605 KITXSWKDVKURQE-UHFFFAOYSA-N 438.590 3.730 0 40 IHAB Cc1cccc(N([C@H](C)C(=O)NCCSCc2ccc(Cl)cc2)S(C)(=O)=O)c1 220122687 VDDSGARXTQMEIF-MRXNPFEDSA-N 441.018 3.853 0 40 IHAB CCOc1ccc(N([C@H](CC)C(=O)NCc2cccc(OC(C)C)c2)S(C)(=O)=O)cc1 220676035 NNHKICBLYDQCMF-JOCHJYFZSA-N 448.585 3.734 0 40 IHAB Cc1ccc(C(=O)NCCSCc2ccc(Cl)cc2)cc1N(C)S(C)(=O)=O 222449665 UIIAJWXXDDOXCO-UHFFFAOYSA-N 426.991 3.707 0 40 IHAB C[C@H](NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O)c1ccc2c(c1)CCC2 223169299 RXDQMOYSAUSRGI-AWEZNQCLSA-N 440.487 3.838 0 40 IHAB CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)NCCOCc1ccccc1 223824792 SIBURIZRYNXQAI-UHFFFAOYSA-N 438.549 3.599 0 40 IHAB CCOC(=O)N1CCN(C(=O)c2ccc(OC)c(COc3ccc(C)c(C)c3)c2)CC1 224294472 VFFSAWHBXKECOG-UHFFFAOYSA-N 426.513 3.805 0 40 IHAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 224422000 AAAHXKPUSYKEBQ-QHCPKHFHSA-N 436.552 3.796 0 40 IHAB CCN(Cc1ccc(C(=O)NCc2cccc(F)c2)cc1)S(=O)(=O)c1ccccc1 224519919 XPLNIEABWMWCKX-UHFFFAOYSA-N 426.513 3.967 0 40 IHAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)Nc3ccc(OC(C)C)cc3)s2)c1 225255011 UEQYWGNEGXAPBA-UHFFFAOYSA-N 432.527 3.687 0 40 IHAB O=C(N[C@H]1C[C@H]2CC[C@H]1C2)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 247757894 YLJFQXSSDQIJRZ-AXHNFQJDSA-N 445.412 3.840 0 40 IHAB Cc1nc([C@@H]2CCN(C(=O)[C@H](C)c3ccccc3)C2)nc(C)c1CC(=O)NC1CCCC1 257272202 NBLFWVLDIIBDJL-DYESRHJHSA-N 434.584 3.814 0 40 IHAB CCc1nnc(Nc2cc(C)nc([C@@H]3CN(C(=O)Cc4ccc(F)cc4)CCO3)c2)s1 257272474 NCOCSQMVENJEQN-IBGZPJMESA-N 441.532 3.829 0 40 IHAB O=C(Cn1ncc2ccccc2c1=O)N1CCC[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257290786 QEIKZXDPVRFZDN-IBGZPJMESA-N 446.482 3.521 0 40 IHAB COc1cc(OC)cc(-c2nc(S/C(=C\c3ccc(OC)cc3OC)C(=O)O)n[nH]2)c1 408634459 UWOQNFNPSXPPPP-NVMNQCDNSA-N 443.481 3.724 0 40 IHAB Cc1ccc(N(CCCC(=O)Nc2ccccc2C(=O)NCC(C)C)S(C)(=O)=O)cc1 408679643 JDLHLSSTSCWXPQ-UHFFFAOYSA-N 445.585 3.566 0 40 IHAB Cc1ccccc1CNC(=O)c1ccccc1NC(=O)C(=O)NC[C@H](C)c1ccccc1 408709018 OCJMZBXQRFVGFT-IBGZPJMESA-N 429.520 3.783 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)Cc2ccccc2)c(OC)c1 408724325 BHBNQUIFWGKXSI-UHFFFAOYSA-N 440.521 3.533 0 40 IHAB CC(=O)c1cccc(-c2ccc(/C=C3/NC(=O)N(CC(=O)Nc4ccc(C)cc4)C3=O)o2)c1 409016238 FSYVOFCOHVUKGH-FYJGNVAPSA-N 443.459 3.989 0 40 IHAB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(OC)c(O)c(OC)c3)C2=O)cc1 409180427 SLKCZUFJEKWHQV-WOJGMQOQSA-N 442.493 3.647 0 40 IHAB O=C(CN1C(=O)S/C(=C\c2ccc(C(=O)O)cc2)C1=O)Nc1ccc(F)c(Cl)c1 409222864 DMMCIZWYPROABP-CHHVJCJISA-N 434.832 3.852 0 40 IHAB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Br)o3)C2=O)cc1 409241368 RWEZYSRZHIIOIT-MDWZMJQESA-N 437.271 3.726 0 40 IHAB CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=O)N(C)C3=O)cc2OC)cc1 409356494 HAFDPMSKQPHDFO-UNOMPAQXSA-N 426.494 3.941 0 40 IHAB Cc1cc(-n2nc3cc(N)c(Br)cc3n2)cc(C)c1I 575414809 OBLVCOVGXPUUIO-UHFFFAOYSA-N 443.086 3.987 0 40 IHAB COc1cc(OC)c(OC)cc1CN1CCO[C@@]2(CCCCN(c3ccccc3)C2=O)C1 2037983767 FALGIEYBIDYRID-VWLOTQADSA-N 440.540 3.501 0 40 IHAB CCOc1ccccc1N1C(=O)[C@@H]2C3c4ccccc4C(CO)(c4ccccc43)[C@@H]2C1=O 706245 XSCQSEUYQUNHOC-ZOVQAKDCSA-N 425.484 3.628 0 40 IHAB CC(C)[C@@H](C(=O)OCC(=O)Nc1cccc(Cl)c1Cl)N1C(=O)c2ccccc2C1=O 1917059 VHAXBHXSQDYLMB-SFHVURJKSA-N 449.290 3.796 0 40 IHAB CCOCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2CCc2ccccc2)C1=O 2120284 ITKRNTJIELMOCI-RPWUZVMVSA-N 445.563 3.864 0 40 IHAB biogenic CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=S)NC(=O)Cc2ccccc2)cc1 2136719 NWPKZRLODGEKDC-UHFFFAOYSA-N 439.562 3.567 0 40 IHAB Nn1c(SCC(=O)Nc2ccc(SC(F)F)cc2)nnc1-c1ccccc1F 2655030 YFQOCFULVOFNNL-UHFFFAOYSA-N 425.461 3.844 0 40 IHAB COc1ccc(-c2noc(CNC(=O)COc3ccc(C(C)(C)C)cc3)n2)cc1OC 4943753 APFJLEIRIFYPAS-UHFFFAOYSA-N 425.485 3.747 0 40 IHAB Cc1cc(C)c2[nH]c(=O)c(CN(Cc3cccnc3)C(=S)NC[C@@H]3CCCO3)cc2c1 6177874 YYSMZANTHWTDTA-NRFANRHFSA-N 436.581 3.596 0 40 IHAB COc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)N3CCC[C@H](C)C3)c(=O)[nH]c2c1 6283282 DPDOTMYRNQESOQ-AOMKIAJQSA-N 436.560 3.850 0 40 IHAB COCCNC(=O)[C@H]1CCCN(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)C1 8759069 FFQKEOHPYOEGBC-KRWDZBQOSA-N 439.943 3.828 0 40 IHAB CC(=O)Nc1cccc(NC(=O)CSc2nc(CC(=O)N3CCC[C@@H](C)C3)cs2)c1 8849919 DTDDKMYCEZBHQU-CQSZACIVSA-N 446.598 3.633 0 40 IHAB Cc1ccc2c(=O)cc(C(=O)N(Cc3ccc(Cl)cc3)[C@@H]3CCS(=O)(=O)C3)oc2c1 8915160 ZYPKZLNSPKRHGS-QGZVFWFLSA-N 445.924 3.584 0 40 IHAB CC(=O)N(c1ccc(C)c(C)c1)c1nc(CN2C(=O)C(=O)N(C3CCCC3)C2=O)cs1 9128874 DTUNUVIWXLILSQ-UHFFFAOYSA-N 440.525 3.678 0 40 IHAB CN(C)S(=O)(=O)c1ccc(NC(=O)CNc2ccccc2Oc2ccccc2)cc1 9315850 OQFNFXUCIMHJGY-UHFFFAOYSA-N 425.510 3.780 0 40 IHAB C[C@H](NC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O)c1ccc2c(c1)OCO2 9365867 LXWTZHSOIVQTKN-AWEZNQCLSA-N 433.489 3.731 0 40 IHAB COc1ccc(-c2noc(CCC(=O)N3CCN(c4cccc(Cl)c4)CC3)n2)cc1 9561611 GVEYKCVXGRUFOP-UHFFFAOYSA-N 426.904 3.680 0 40 IHAB CCOC(=O)c1ccc(N2CCN(CC)CC2)c(NC(=O)COc2ccc(Cl)cc2)c1 9908025 CKZXYHTZJYEQMX-UHFFFAOYSA-N 445.947 3.676 0 40 IHAB C[C@H](OC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 10914477 NLABTBNPRQSKDG-NEPJUHHUSA-N 448.306 3.582 0 40 IHAB Cc1nc2scc(-c3cccc(NS(=O)(=O)c4ccc(F)cc4)c3)n2c(=O)c1C 11696659 VDSAOZNQZXQMJE-UHFFFAOYSA-N 429.498 3.980 0 40 IHAB CN1CCC(N(Cc2ccco2)S(=O)(=O)c2ccc(Br)cc2Cl)CC1 12771972 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0 40 IHAB CC1CCN([C@@H](CNC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)c2ccco2)CC1 15860071 WCIYZYJGEJBKSB-IBGZPJMESA-N 437.496 3.909 0 40 IHAB Cc1ccc([C@@H](CNC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)N2CCCCC2)o1 15860443 IELHKWNLVCLLIM-LJQANCHMSA-N 437.496 3.971 0 40 IHAB COc1ccc(NC(=O)c2cc3cccnc3n(Cc3ccc(F)cc3)c2=O)cc1OC 15883359 OEYMDKMZMZSJGT-UHFFFAOYSA-N 433.439 3.853 0 40 IHAB CC(=O)c1cccc(OCC(=O)Nc2ccccc2C(=O)NCc2ccc3c(c2)OCO3)c1 16051008 GZWHCRLHDDDFSG-UHFFFAOYSA-N 446.459 3.565 0 40 IHAB C[C@H]1CCCN(S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3F)cc2)C1 16121828 PJLIRXSJLRVJAZ-ZDUSSCGKSA-N 446.953 3.701 0 40 IHAB CC(C)c1cccc(C(C)C)c1NC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)OCCO2 16468380 YJTIMJDTCXIGJV-UHFFFAOYSA-N 446.569 3.964 0 40 IHAB CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)[C@H]3COc4ccc(Cl)cc4C3)ccc21 16810319 JPEBDPXKDBSBJT-FZKQIMNGSA-N 427.884 3.615 0 40 IHAB Cc1ccccc1-n1c(=S)sc2c(=O)[nH]c(SCC(=O)NCc3ccco3)nc21 17143744 OAWMXERSQGHPEW-UHFFFAOYSA-N 444.563 3.815 0 40 IHAB CCn1ncc(CN2CCC([C@H]3C[C@H](C(=O)Nc4ccc(F)cc4)CN3C)CC2)c1C 19523933 WASZKEBCFSFDHY-WMZHIEFXSA-N 427.568 3.522 0 40 IHAB CCN1CCN(C(=O)Cc2cccnc2)C[C@H](Cc2cccc(-c3ccc(F)cc3)c2)C1=O 19527469 OAESDBZBGIEISR-DEOSSOPVSA-N 445.538 3.980 0 40 IHAB CN(C)c1cc([C@@H]2CCCN(Cc3ccc4c(c3)OCCO4)C2)nc(-c2ccncc2)n1 19584580 GKYOTTMILXCMDQ-HXUWFJFHSA-N 431.540 3.755 0 40 IHAB CNC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)Cc2cccnc2)C1 19591159 GOVXDXNCUMHJFX-VWLOTQADSA-N 433.577 3.950 0 40 IHAB COc1ccc(CN2C(=O)Cc3c(C)nc([C@@H]4CCCN(C(=O)CC(C)C)C4)nc32)cc1 19744567 OMBGNVVKDIKFAD-LJQANCHMSA-N 436.556 3.635 0 40 IHAB CC[C@H](c1ccc(F)cc1)N(C)C(=O)Cn1cc(C(=O)NC2CCCCC2)ccc1=O 19751719 PIESEQXXOSPKGK-OAQYLSRUSA-N 427.520 3.660 0 40 IHAB Cc1cc(N2CCC[C@H](c3ncc(C(=O)NCc4ccc(F)cc4)c(C)n3)C2)nc(C)n1 19765369 BQNAZKOCUPDYOV-IBGZPJMESA-N 434.519 3.645 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H](C)Oc1cccc(C)c1C 19932902 JFHMVSXBQJHRAK-SFHVURJKSA-N 446.569 3.893 0 40 IHAB CCOc1cccc(CNS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCCC3)c2)c1 19934603 RXSSVUBTYIUMKL-UHFFFAOYSA-N 446.569 3.589 0 40 IHAB C[C@@H](NC(=O)CCc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(Br)cc1 20024391 MYKPRPIURMZNBC-CQSZACIVSA-N 439.375 3.509 0 40 IHAB O=C(O)c1ccc(CNC(=S)NC(=O)c2cc(Br)ccc2Cl)cc1 20152009 FWZLCRACXVNSRA-UHFFFAOYSA-N 427.707 3.605 0 40 IHAB CCOc1cc([C@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3ncnn32)ccc1O 20175764 ZJQLBAPFYMGXOP-IBGZPJMESA-N 425.876 3.963 0 40 IHAB Cc1nc(SCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)n(C[C@H]2CCCO2)c1C 21568742 OKZPARUNHCZNGB-GYVBGXKYSA-N 446.617 3.566 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N[C@@H]2CCSc3ccccc32)cc1 21899949 IUMXSXITUXCGOX-UXHICEINSA-N 430.595 3.892 0 40 IHAB CC1(C)C[C@@H](NC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)c2ccccc2O1 22365605 ZSCVCBZKMJDHIB-QGZVFWFLSA-N 440.924 3.664 0 40 IHAB CC(C)Oc1ccc(N(CC(=O)Nc2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 22382137 BBNBQDXBEKOLDY-UHFFFAOYSA-N 430.448 3.897 0 40 IHAB O=C(N[C@@H](CN1CCOCC1)c1ccccc1)c1ccc(NC(=O)c2cccs2)cc1 23907914 XTIZOTXMNFMHPH-NRFANRHFSA-N 435.549 3.804 0 40 IHAB Cc1cc(Cl)c(C)c(S(=O)(=O)Nc2ccc(OCC(=O)N(C)C)cc2)c1Cl 26549105 JXBXPSGONQNIOY-UHFFFAOYSA-N 431.341 3.878 0 40 IHAB Cc1c(C)c(C)c(S(=O)(=O)N2CCN([C@H](C)c3nc(C(C)C)no3)CC2)c(C)c1C 27771108 TXAYMEQADSGPAD-LJQANCHMSA-N 434.606 3.803 0 40 IHAB COc1cccc(-c2nnnn2CC(=O)N(CCc2ccccc2)Cc2ccccc2)c1 28616728 OBGTUUZBDWYKNJ-UHFFFAOYSA-N 427.508 3.620 0 40 IHAB O=C(CCNS(=O)(=O)c1ccc(Br)cc1)Nc1cccc(-n2cccc2)c1 32933221 GGYZCAXMXOKFLU-UHFFFAOYSA-N 448.342 3.547 0 40 IHAB CCOC(=O)C1=C(C(=O)OCC)N(c2ccc(Cl)cc2)C(=O)N[C@@H]1c1ccccc1 32936427 CFGQPMVMOGJPNB-GOSISDBHSA-N 428.872 3.991 0 40 IHAB Cc1ccn2c(=O)cc(COc3ccccc3NC(=O)COc3ccccc3C)nc2c1 33067979 BKVOKOIKBZUZOA-UHFFFAOYSA-N 429.476 3.908 0 40 IHAB COC(=O)c1cccc(NC(=O)c2sccc2N(C)S(=O)(=O)c2ccc(C)cc2)c1 33141810 VEAGASZFZVFAIY-UHFFFAOYSA-N 444.534 3.921 0 40 IHAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(OCc3cc(=O)n4oc(C)cc4n3)cc2)cc1 35378612 IRFGILJBQORIKD-QGZVFWFLSA-N 433.464 3.889 0 40 IHAB COc1ccc(-c2cc(C(=O)N[C@@H](C)c3c(C)nn(C)c3C)c3c(C)nn(C)c3n2)cc1 36616112 ZCPURMKSGMXWDT-ZDUSSCGKSA-N 432.528 3.794 0 40 IHAB COc1ccc([C@H](C)NC(=O)CN2c3ccc(F)cc3-c3ccccc3S2(=O)=O)cc1 44841389 YBFDYICJBFOQMV-HNNXBMFYSA-N 440.496 3.887 0 40 IHAB O=C1C[C@]2(CC(c3cccc(Br)n3)=NO2)C(=O)N1c1ccc2ccccc2c1 44903508 IZOPZSDLGDGVFP-OAQYLSRUSA-N 436.265 3.824 0 40 IHAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N1CCC[C@@H]1CN1C[C@H](C)O[C@H](C)C1 48286315 LOHHOWLCEFWUJV-LVCYWYKZSA-N 449.599 3.532 0 40 IHAB Cc1cccc(NC(=O)NC(=O)CN[C@H](C(=O)N2CCC(C)CC2)c2ccccc2)c1C 48375011 BVJBWHWPGGLXOS-QHCPKHFHSA-N 436.556 3.541 0 40 IHAB COc1ccc2c(c1)CCN=C2C[C@H]1CN(C(=O)c2cccs2)CC[C@H]1CC(=O)O 49590462 JHWBXOHNLMCPGI-RDJZCZTQSA-N 426.538 3.745 0 40 IHAB biogenic,in-vitro CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc(Br)o3)cc2)CC1 57316826 UBTPRMXJSTYOKF-UHFFFAOYSA-N 434.334 3.989 0 40 IHAB COc1cc(OC)c([C@H]2CC(=O)Nc3c(C(=O)O)cn(-c4ccccc4F)c32)cc1OC 61721008 CMZWJERSTBYWSL-CYBMUJFWSA-N 440.427 3.815 0 40 IHAB COc1ccc(NC(=O)Nc2c(C)nn(C(C)C)c2C)cc1S(=O)(=O)N1CCCCC1 65534443 QCHLNZNTHYXVNA-UHFFFAOYSA-N 449.577 3.908 0 40 IHAB Cc1cc2nc(SCC(=O)NCc3ccccc3Cl)n(Cc3ccco3)c(=O)c2[nH]1 67236210 YSPFUECZKUPODP-UHFFFAOYSA-N 442.928 3.736 0 40 IHAB Cc1ccc([C@@H](C)NC(=O)Cn2c(-c3cccc(Cl)c3)nc(C)c(CCO)c2=O)cc1 67316600 YGUTXWRBFWNNLV-MRXNPFEDSA-N 439.943 3.593 0 40 IHAB CCNC(=O)CN(CC)C(=O)c1cc(-c2cccc(C(F)(F)F)c2)nc2onc(C)c12 69898217 BFMOHEYPQZYNIZ-UHFFFAOYSA-N 434.418 3.815 0 40 IHAB CC(C)C[C@H](NC(=O)[C@@H](N[C@@H](CO)c1ccccc1)C(C)C)C(=O)Nc1ccccc1 71788324 ZQVWSJFZTHUZSC-VABKMULXSA-N 425.573 3.504 0 40 IHAB O=C(NCc1ccccc1)[C@H]1C[C@@]2(CO1)CN(C(=O)c1ccc(F)cc1)c1ccccc12 96262493 DFSSZCYYUHCPPK-BVAGGSTKSA-N 430.479 3.829 0 40 IHAB Cc1ccc(NC(=O)c2ccc3ccc(N4CCN(Cc5cccnc5)CC4)n3c2)nc1 96267367 TZYOOBYUKZRBDO-UHFFFAOYSA-N 426.524 3.612 0 40 IHAB C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 102260289 PHDMAZLTMAJHEY-FSENYNONSA-N 438.593 3.988 0 40 IHAB C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C 104099892 ZZKURXAWZTXLPO-ZIAGYGMSSA-N 446.910 3.502 0 40 IHAB CC(C)c1ccc(CCNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)cc1 216354504 USPKBNHRKYFITP-UHFFFAOYSA-N 446.588 3.850 0 40 IHAB COc1ccc2c(c1)[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl)CC(C)(C)O2 219286580 QOLXWWTZVRRAMJ-KRWDZBQOSA-N 438.933 3.752 0 40 IHAB CC[C@@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)c1ccc(OC)cc1 219757954 ZNKJOLNYXPAXEF-UXHICEINSA-N 436.961 3.769 0 40 IHAB CC[C@@H](C(=O)Nc1cccc(Br)c1)N(c1cccc(OC)c1)S(C)(=O)=O 220611137 KSABXWLRRBHXGI-KRWDZBQOSA-N 441.347 3.641 0 40 IHAB CC[C@@H](C(=O)NCCc1ccccc1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 220690372 WQFHOEFGZAQWNX-SFHVURJKSA-N 429.369 3.897 0 40 IHAB CC[C@@H](C(=O)N[C@H](C)CC)N(CCc1ccccc1)C(=O)COc1ccccc1OC 222562378 YAVHHHFFJBTUGZ-CTNGQTDRSA-N 426.557 3.839 0 40 IHAB COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(Cc2cccnc2)c1C 223041843 OKHAYQWUMZGEPZ-DHIUTWEWSA-N 435.597 3.952 0 40 IHAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1OC 223405321 TVBWWPDPLFNDPZ-LJQANCHMSA-N 430.520 3.935 0 40 IHAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 223729325 BDXGYBFIAMRZBH-KRWDZBQOSA-N 430.448 3.897 0 40 IHAB C[C@H](CNC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1)c1ccccc1 224364425 MVUZUURVWQWIEU-QGZVFWFLSA-N 434.989 3.802 0 40 IHAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NCc3ccccc3F)cc2)cc1 224519469 BZNJWBWCRSANEU-UHFFFAOYSA-N 442.512 3.585 0 40 IHAB COc1ccc(CCC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)C)cc1OC 224668624 YGHPWZVBAZBTSI-QGZVFWFLSA-N 430.520 3.717 0 40 IHAB CCc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C 225554073 KZOSMHJIQLLUAY-XZOQPEGZSA-N 433.581 3.984 0 40 IHAB COc1ccc(C2OCC(C)(C(=O)Nc3ccc(OC4CSC4)cc3)CO2)cc1OC 225918511 RZWSKNXZHNMECR-UHFFFAOYSA-N 445.537 3.888 0 40 IHAB O=C(c1csc(-c2ccccc2)n1)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1 252532890 FKQFVVQTMDODOM-UHFFFAOYSA-N 446.532 3.884 0 40 IHAB O=C(Nc1ccccc1Cl)[C@@H]1[C@H]2C=C[C@@]3(CN(CCc4c[nH]c5ccccc45)C(=O)[C@H]13)O2 252694347 JKCDUQKQKPKOSA-APDHKMKFSA-N 447.922 3.785 0 40 IHAB CC1(C)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2CN(C(=O)NC3CCCCC3)CCN21 253397087 FINPPHJJNDEXGZ-FQEVSTJZSA-N 432.996 3.603 0 40 IHAB biogenic,in-vitro CNC(=O)c1sc2ncccc2c1[C@H]1CC[C@H](CNC(=O)CCCN2CCCC2)CC1 257217894 DBAMMVDWKNELGN-IYARVYRRSA-N 442.629 3.922 0 40 IHAB CNC(=O)c1cccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)c2ccsc2)c1 257282493 OTYHMSNIFGAHHG-SFHVURJKSA-N 429.542 3.542 0 40 IHAB O=C(CN1CC[C@]2(CCCO2)[C@@H](OCc2ccccc2)C1)N1CCSc2ccccc21 257301898 SALNELDFTSKCRY-UKILVPOCSA-N 438.593 3.966 0 40 IHAB O=C(NCCC(=O)N1CCC[C@@H]1c1cncc(Cc2cccc(Cl)c2)n1)c1cccnc1 257323866 WMDUJWDKEWNPAG-JOCHJYFZSA-N 449.942 3.599 0 40 IHAB CCCCC(=O)N1CCO[C@](COc2cccc(Cl)c2)(CC(=O)N2CCCCC2)C1 257333826 YDFTXZZAEDGWDX-HSZRJFAPSA-N 436.980 3.909 0 40 IHAB CCN1CCN(C(=O)c2ccc(O)nc2)C[C@H](Cc2ccccc2-c2ccc(C)cc2)C1=O 257342587 ZPHUYVJQXWVBNU-QHCPKHFHSA-N 443.547 3.926 0 40 IHAB Cc1ccc(C)c(N([C@H](C)C(=O)NCCOc2ccc(C)c(Cl)c2)S(C)(=O)=O)c1 260886103 DVHWJAWHJNDAHQ-QGZVFWFLSA-N 438.977 3.615 0 40 IHAB Cc1nc2c(n1C(C)C)CN(C(=O)NC1CCCC1)CC21CCN(c2ncccn2)CC1 306143855 YOPAKBPUEMIULQ-UHFFFAOYSA-N 437.592 3.568 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3ccccc3)CC2)cc1C 408557433 MRXABLKPEWQNLD-SFHVURJKSA-N 430.570 3.672 0 40 IHAB S=C(NCCN1CCOCC1)c1ccc(OCc2ccc(Br)cc2)cc1 408575914 OVPKERGZMAYMMG-UHFFFAOYSA-N 435.387 3.625 0 40 IHAB COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3C)cc2)c1 408593421 QFPJYYFFGPMSPB-UHFFFAOYSA-N 426.494 3.822 0 40 IHAB COc1ccc(-c2nnc(CN(C)C(=O)c3cccc(Br)c3)o2)cc1OC 408714689 VJEBYJWRVAVVGL-UHFFFAOYSA-N 432.274 3.789 0 40 IHAB O=C([C@H]1CCCN1C(=O)c1ccccc1OC(F)F)N1CCC(Oc2ccccc2)CC1 510118659 IJURSXBIWBKCRO-HXUWFJFHSA-N 444.478 3.963 0 40 IHAB O=C1CN(Cc2cccc(Cl)c2)Cc2cc(CCCO)ccc2OCCCCCN1 643580275 TYXLHDZBORDEAA-UHFFFAOYSA-N 430.976 3.946 0 40 IHAB CC(=O)N1CCNC(=O)c2cccc(c2)Cc2cc(-c3c(C)noc3C)ccc2OCC1 643581709 SSRDMZOMCFZWJB-UHFFFAOYSA-N 433.508 3.520 0 40 IHAB CC(=O)Oc1cccc(/C=C2\N=C(c3ccc(I)cc3)OC2=O)c1 829651 CNDDLXUKDSKRQT-YBEGLDIGSA-N 433.201 3.561 0 40 IHAB Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3CCC[C@@H](C)C3)cc2c1 889020 CRTGYUWGNJSQHR-JPYJTQIMSA-N 428.540 3.693 0 40 IHAB COc1ccc(Br)cc1S(=O)(=O)N1CCN(c2cc(C)ccc2C)CC1 944454 YIBMEGTWXQLTJP-UHFFFAOYSA-N 439.375 3.585 0 40 IHAB CC(=O)O[C@@H]1N=C(c2ccccc2Cl)c2cc(Br)ccc2N(C(C)=O)C1=O 1424525 PSGPKOJDUNKVMZ-SFHVURJKSA-N 449.688 3.722 0 40 IHAB COC(=O)c1c(NC(=O)CCCOc2ccc(C)cc2)sc2c1[C@@H](C(=O)OC)CC2 1773381 WDBSUQQXYGRRAC-HNNXBMFYSA-N 431.510 3.844 0 40 IHAB COC(=O)COc1ccc([C@H]2Nc3ccccc3S(=O)(=O)N2Cc2ccccc2)cc1 2485792 WMNCNYPEBDQNQS-QHCPKHFHSA-N 438.505 3.554 0 40 IHAB Cc1sc2nc(SCC(=O)NC[C@H]3CCCO3)n(Cc3ccccc3)c(=O)c2c1C 2643497 BBSADUJIPCAJOW-QGZVFWFLSA-N 443.594 3.510 0 40 IHAB CCOC(=O)c1sc(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)nc1-c1ccccc1 3200968 KGYYWENZXLVLNC-UHFFFAOYSA-N 449.488 3.893 0 40 IHAB CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)COC(=O)c2cccc(I)c2)C1 3225541 RGXPOOQDAOCKEN-DNVCBOLYSA-N 441.309 3.875 0 40 IHAB O=C(COc1ccc(Cl)c(Cl)c1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 3402999 QRCRCOBNRYYLNR-UHFFFAOYSA-N 429.325 3.795 0 40 IHAB COc1ccc(Nc2nnc(SCC(=O)NCc3ccc(OC)c(OC)c3)s2)cc1 3500370 SQLOPKQGZVFGSO-UHFFFAOYSA-N 446.554 3.716 0 40 IHAB COCCOC(=O)C1=C(N)Oc2c(c(=O)sc3ccccc23)[C@@H]1c1ccccc1Cl 8748626 ICXFZTBRKGBKHK-INIZCTEOSA-N 443.908 3.799 0 40 IHAB Cc1cc(=O)c(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)nn1-c1ccccc1 8895454 QUVFGFDAHJRXGN-UHFFFAOYSA-N 440.507 3.778 0 40 IHAB CCOc1ccc(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)cc1 8919235 RTZWVZUZAGYFIY-YAQMYPSVSA-N 432.520 3.666 0 40 IHAB Cc1cc(O[C@H](C)C(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)cc(C)c1Cl 9185040 DYWDXCOWNAZZHF-CVEARBPZSA-N 425.934 3.533 0 40 IHAB CCOc1ccc([C@@H]2Nn3c(CC)nnc3S[C@H]2C(=O)Nc2ccc(F)cc2)cc1 9197454 PKSKICXSGIJVHW-RBUKOAKNSA-N 427.505 3.776 0 40 IHAB Cc1nnc2n1N[C@H](c1ccccc1)[C@H](C(=O)Nc1ccc(Br)cc1F)S2 9237941 JYKQDGQITFIVOY-HZPDHXFCSA-N 448.321 3.886 0 40 IHAB O=C1CCc2cc(S(=O)(=O)N3CCC[C@@H](c4nc5ccccc5s4)C3)ccc2N1 9257250 QTWXOHJPJMAYDQ-OAHLLOKOSA-N 427.551 3.749 0 40 IHAB CCn1c(COc2ccc(C)cc2C)nnc1S[C@H](C)C(=O)Nc1nnc(C)s1 9304063 TVJSQEFMFNDBAW-CYBMUJFWSA-N 432.575 3.773 0 40 IHAB O=c1cc(CSc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)nc2sccn12 9316592 JMZZOYFHGKFTKD-INIZCTEOSA-N 443.529 3.625 0 40 IHAB COc1ccc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)C[S@](=O)C3)cc1OC 9413945 PTJDUAIWVPUSJY-LJAQVGFWSA-N 431.901 3.558 0 40 IHAB COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)Nc3ccc(C)c(Cl)c3)C2=O)cc1 9420425 KUYFLUWUGFUQKO-IBGZPJMESA-N 429.904 3.539 0 40 IHAB Cc1cc(C)c(NC(=O)CNC(=O)COC(=O)c2ccc(OCCC(C)C)cc2)c(C)c1 9532937 JQGMOIBIYVVISC-UHFFFAOYSA-N 440.540 3.948 0 40 IHAB CC(=O)Nc1ccc(NC(=O)c2cccn(Cc3ccc(Br)cc3)c2=O)cc1 9547929 DQKODLIQUMEHNP-UHFFFAOYSA-N 440.297 3.870 0 40 IHAB COCCn1c(SCC(=O)Nc2cccc(C)c2)nc2sc3c(c2c1=O)CCC3 9568699 KGGIJULXSNPYPP-UHFFFAOYSA-N 429.567 3.632 0 40 IHAB Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1nnnn1-c1ccc(Cl)cc1 9570789 ZHFIXGUTZSUFOY-UHFFFAOYSA-N 429.267 3.863 0 40 IHAB CN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)C[C@@H]1OC(=O)c2ccccc21 9814445 CSQCQRMWYIBXNC-FQEVSTJZSA-N 442.537 3.880 0 40 IHAB C[C@@H](NC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O)c1ccc2c(c1)OCCO2 9871708 PGNIYIHMOSTIHH-OAHLLOKOSA-N 447.516 3.774 0 40 IHAB Cc1nc(SCC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)n(C2CCCC2)c1C 9956839 TVYKAEFDVSYSDN-UHFFFAOYSA-N 440.491 3.879 0 40 IHAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl 10078185 JEXAJDVURQFJGR-SNVBAGLBSA-N 436.839 3.673 0 40 IHAB COc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)N(C)C(=O)CO4)c(C)s2)cc1OC 11904306 MHBXKDREXWMYTG-UHFFFAOYSA-N 439.493 3.743 0 40 IHAB Cc1occc1-c1nc(N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)ncc1-c1ccccn1 12222821 KKMPPBTWYNJLJP-MSOLQXFVSA-N 425.492 3.892 0 40 IHAB O=C(CCc1c[nH]c2ccccc12)N1CCN(C(=O)c2ccccc2Br)CC1 12321262 LRYIDQIVIMKDGP-UHFFFAOYSA-N 440.341 3.848 0 40 IHAB O=C1c2ccccc2N[C@@H](c2cccc(Br)c2)N1CCCN1CCOCC1 12608721 SDUBSIJFTJJMEU-HXUWFJFHSA-N 430.346 3.738 0 40 IHAB COc1ccc(-c2csc(NC(=O)CCc3c(C)nc4ncnn4c3C)n2)cc1F 12979295 XDUFGPWCKPUCBG-UHFFFAOYSA-N 426.477 3.584 0 40 IHAB CCOC(=O)CN(C(=O)COC(=O)c1ccc(OCC(C)C)cc1)c1ccc(F)cc1 13072376 FFARIBAJGBGZCU-UHFFFAOYSA-N 431.460 3.614 0 40 IHAB CCC(C)(C)C1CCC(NC(=O)CSc2nc3nc(C)c(CC(=O)O)c(C)n3n2)CC1 13222496 FKUGLMSGMAFFRX-UHFFFAOYSA-N 447.605 3.572 0 40 IHAB CCOC(=O)COc1c(Cl)cc(/C=C2/N=C(c3ccc(F)cc3)OC2=O)cc1OC 13564642 ZQAADDQZHYIVNM-CXUHLZMHSA-N 433.819 3.774 0 40 IHAB C[C@H](NC(=O)CSc1nnc(Cc2cccs2)n1C1CC1)c1ccc2c(c1)OCO2 14109166 VABMLGCWEARRDF-ZDUSSCGKSA-N 442.566 3.964 0 40 IHAB COc1ccccc1[C@@H](C)NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 14369757 NIQJUCIGFAZWFQ-QGZVFWFLSA-N 442.512 3.907 0 40 IHAB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NCc3ccc(CN(C)C)cc3)cc2)cc1 15140290 MEWISSBWDGQEOC-UHFFFAOYSA-N 437.565 3.787 0 40 IHAB O=C(Nc1cccnc1)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 15436025 VSKMIRGIOZRKMA-UHFFFAOYSA-N 432.299 3.897 0 40 IHAB CCCCc1nn2c(=O)cc(COC(=O)c3ccccc3NC(=O)CCC)nc2s1 15771948 XSZIREXFZYSNFU-UHFFFAOYSA-N 428.514 3.589 0 40 IHAB O=c1/c(=C\c2cccc(Cl)c2Cl)sc2nc3cc(Br)cnc3n12 16383812 WDBPCXITZRZURT-NYYWCZLTSA-N 427.110 3.921 0 40 IHAB O=C(CCc1csc2nc(-c3ccccc3)cn12)N1CCN(C(=O)c2ccco2)CC1 16848685 QABSYGFLVANKFT-UHFFFAOYSA-N 434.521 3.573 0 40 IHAB COc1cccc(NC(=O)COc2ccc(C(=O)N(C)Cc3ccc4c(c3)OCO4)cc2)c1 18156273 AKXSABWFKKRNNC-UHFFFAOYSA-N 448.475 3.714 0 40 IHAB CNc1cc(C2CCN(C(=O)c3cnc(C(C)(C)C)nc3)CC2)nc(-c2ccncc2)n1 19084770 SGFMXQRVCHVFFR-UHFFFAOYSA-N 431.544 3.688 0 40 IHAB Cc1cc(-c2cnc(N3CCCCC3)nc2C2CCN(Cc3cnn(C)c3C)CC2)on1 19123292 XNDDAZKESWDMFA-UHFFFAOYSA-N 435.576 3.852 0 40 IHAB CC[C@@H]1CCCCN1CC(=O)N1CCC([C@@H]2C[C@H](C(F)(F)F)n3nc(C)cc3N2)CC1 19500939 VRJGALMUIAAGAP-CEXWTWQISA-N 441.542 3.982 0 40 IHAB CCOc1ccc(CC(=O)N2CCC[C@@H](c3cc(NC)nc(-c4cccnc4)n3)C2)cc1 19532853 JPVXWTSEYWKKAT-HXUWFJFHSA-N 431.540 3.928 0 40 IHAB Cc1ncc(C(=O)N2CCN(C)C(=O)[C@H](Cc3ccc(-c4ccccc4)cc3)C2)c(C)n1 19552488 GJJINGVKEHUPSR-HSZRJFAPSA-N 428.536 3.534 0 40 IHAB COc1cccc(CN2CCC[C@H](c3[nH]ncc3-c3ccnc(N4CCCC4)n3)C2)c1OC 19567766 LFIMDXPIJQPDOG-SFHVURJKSA-N 448.571 3.864 0 40 IHAB COc1ccc(-c2cc3nc([C@@H](C)NC(=O)[C@@H](C)Oc4cccc(F)c4)nn3cn2)cc1 19575497 XSQWAQGZUZRCDL-HUUCEWRRSA-N 435.459 3.584 0 40 IHAB CNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CCN(Cc2cccc(OC)c2OC)C1 19591731 UKMGPWCRGXDXRV-MHZLTWQESA-N 445.563 3.947 0 40 IHAB CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CN(Cc2c[nH]nc2-c2ccccc2)CCO1 19703198 CNEUJQKPRVATJC-IBGZPJMESA-N 447.564 3.962 0 40 IHAB Nc1n[nH]c2nc([C@H]3CCCN(C(=O)Cc4c[nH]c5ccccc45)C3)cc(C(F)(F)F)c12 19742142 WCFOONZUBUDUKG-LBPRGKRZSA-N 442.445 3.989 0 40 IHAB Cc1nc([C@H]2CCCN(Cc3cccnc3)C2)nc2c1CCCN2CCc1ccccn1 19752956 LLMIFFITUQJPMR-QFIPXVFZSA-N 428.584 3.950 0 40 IHAB CC[C@@H](NC(=O)CN(c1ccc(OC(C)C)cc1)S(C)(=O)=O)c1ccc(OC)cc1 22398272 DGWWCVADVUVNDU-OAQYLSRUSA-N 434.558 3.516 0 40 IHAB COc1ccc(OCCN2CCN([C@H](C)c3nnc(-c4ccc(F)cc4)o3)CC2)cc1 22787312 MMTKMFJMTJHDRN-QGZVFWFLSA-N 426.492 3.642 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cc(Cl)sc1Cl 23200047 GGVYJKBQECETGU-UHFFFAOYSA-N 429.310 3.898 0 40 IHAB CCN(CC)Cc1n/c(=N\CC(=O)Nc2ccc(F)c(F)c2)c2c(C)c(C)sc2[nH]1 23845649 ZFUOZCFWPDETIZ-UHFFFAOYSA-N 433.528 3.901 0 40 IHAB CN(C)S(=O)(=O)c1ccc(CNC(=O)CC(c2ccccc2)c2ccccc2)s1 29775056 XTOUITLTSFDZEH-UHFFFAOYSA-N 428.579 3.837 0 40 IHAB Fc1ccc(-c2csc3ncnc(NC[C@@H]([C@@H]4CCOC4)N4CCOCC4)c23)cc1 29831629 MKWVFBWPDXBBEY-APWZRJJASA-N 428.533 3.647 0 40 IHAB CCOc1cccc(C(=O)NC(=S)Nc2ncc(I)cc2C)c1 32125271 BACNIAKAKOMTPE-UHFFFAOYSA-N 441.294 3.520 0 40 IHAB COc1ccccc1N1CCN(C(=O)COc2ccc(-c3nc(C(C)C)no3)cc2)CC1 32579089 WSUDEVNRZGNPMB-UHFFFAOYSA-N 436.512 3.596 0 40 IHAB CCOc1ccc(NC(=O)c2c(-c3ccc(OC)c(OC)c3)nnn2CSC)cc1 32611813 QCRMSMRATYGCSZ-UHFFFAOYSA-N 428.514 3.934 0 40 IHAB O=C(Nc1nc2c(s1)CCCCC2)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 40034669 ZWLCKAZKQQXMIY-CYBMUJFWSA-N 425.601 3.513 0 40 IHAB C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCCC(=O)Nc1cccc2cccnc12 40073680 NVKJYXBOJUINIU-VWLOTQADSA-N 428.492 3.953 0 40 IHAB O=C1CCCN1c1cc(C(=O)N2CCC[C@H]2c2nnc3n2CCCCC3)ccc1Cl 40080242 LBEGRZFWONVKIF-KRWDZBQOSA-N 427.936 3.762 0 40 IHAB COC(=O)c1ccc(N2CCOCC2)c(NC(=O)COc2ccc(Cl)cc2Cl)c1 40717671 NLGIYDHYPPNBNI-UHFFFAOYSA-N 439.295 3.634 0 40 IHAB CC(C)CCn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nc2ccsc2c1=O 57426060 YXSZTYLIONIZAQ-UHFFFAOYSA-N 445.566 3.641 0 40 IHAB COCCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3cccc(Cl)c3)c2c1=O 65113583 FOFRKSRGMZTJDH-UHFFFAOYSA-N 436.899 3.804 0 40 IHAB CC[C@@H]1CCCCN1C(=O)Cn1nc2cc(C)nc(-c3ccc(C(F)(F)F)cc3)n2c1=O 67226432 JOZPJKNMRMYRIL-QGZVFWFLSA-N 447.461 3.676 0 40 IHAB COc1ccc(CCCC(=O)N2CCC([C@@H]3C[C@H](C(F)F)n4ncnc4N3)CC2)c(C)c1 72395649 SGVGLGKRNGWILW-VQTJNVASSA-N 447.530 3.847 0 40 IHAB CN(C)Cc1nc(C2(NC(=O)CCc3cnn(-c4ccccc4)c3)CCCCCC2)no1 78975599 QUIIIBMOKMTTRZ-UHFFFAOYSA-N 436.560 3.615 0 40 IHAB Cc1nc(Cl)ccc1CC(=O)Nc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1 89536912 HKCGZTFZJAIYHI-UHFFFAOYSA-N 436.946 3.720 0 40 IHAB COc1cccc(CN2Cc3ccccc3[C@@]23CO[C@H](C(=O)N(C)Cc2ccccn2)C3)c1 96143955 YRLILHNLLBKCDK-AHKZPQOWSA-N 443.547 3.749 0 40 IHAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)ccc1OCC(C)C 106763291 VMSNMOXBMWKMNH-UNOMPAQXSA-N 432.542 3.779 0 40 IHAB CC[C@@H]1CCCCN1c1nc(=O)c2c([nH]1)NC(=O)C[C@H]2C(=O)Nc1ccc(C(C)C)cc1 139107401 ZNCCGRRQANXUNU-QZTJIDSGSA-N 437.544 3.727 0 40 IHAB COC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)OC)c3)o2)C1=O 205760274 ZRTMHSKYDDKQHG-OVCLIPMQSA-N 435.841 3.596 0 40 IHAB Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1N(C)S(C)(=O)=O 222456813 SACIUIQXTAXEML-UHFFFAOYSA-N 443.569 3.659 0 40 IHAB Cc1cccc(N(CCCC(=O)Nc2ccc(N3CCCC3=O)cc2)S(C)(=O)=O)c1C 222636984 KMILQDRNAMILSD-UHFFFAOYSA-N 443.569 3.615 0 40 IHAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)c1 222936361 OWVOQPIYEPTEDG-KRWDZBQOSA-N 430.570 3.725 0 40 IHAB Cc1cc(C)cc(N(CC(=O)NCCc2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1 223469708 WSAFBLUQDGDPHN-UHFFFAOYSA-N 440.540 3.997 0 40 IHAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)n1C 223927064 MBVYNUBNOSYQJD-PKTZIBPZSA-N 433.581 3.742 0 40 IHAB Cc1cc(C)cc(OCCNC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)c1 224098501 HVONEVKWDZOERL-UHFFFAOYSA-N 430.570 3.677 0 40 IHAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)C1 224185764 WXBJQYCMVUZKJF-QZTJIDSGSA-N 449.642 3.671 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)COc3cccc(OC)c3)cc2)cc1 224573755 QEZYQXIIROHFIH-UHFFFAOYSA-N 442.493 3.522 0 40 IHAB CCOC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc2c(c1)OCCO2 224829333 YKKMQBODALHWQU-UHFFFAOYSA-N 446.308 3.523 0 40 IHAB CN(Cc1nc2ccccc2[nH]1)C(=O)[C@@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2N1 257210176 BTOFHDSSRAHGPZ-FSEQIFNCSA-N 429.524 3.509 0 40 IHAB Cn1nc([C@H]2CN(C(=O)C3CCC3)CCO2)cc1CCOc1cccc(C(F)(F)F)c1 257220227 DKCGBSCYTMYTPJ-HXUWFJFHSA-N 437.462 3.760 0 40 IHAB O=C(c1cccc(Cn2ccnc2)c1)N1CCC2(CC1)C[C@H](Oc1ccc(F)cc1)CO2 257273332 NGDQBHSWMDGWND-QHCPKHFHSA-N 435.499 3.913 0 40 IHAB COc1ccccc1OCC(=O)NC[C@H]1CC[C@H](c2nn(C)cc2-c2ccncc2)CC1 257304882 SNMYCUOVNQMTLT-KESTWPANSA-N 434.540 3.960 0 40 IHAB O=C(CN1CCO[C@@H](c2cccc(Nc3ccccn3)n2)C1)Nc1ccc2ncccc2c1 257344961 ZZJMWMLQAGSOEM-JOCHJYFZSA-N 440.507 3.780 0 40 IHAB CCc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)cc1 260759710 DAKYAHSDLDZOTP-CABCVRRESA-N 438.977 3.943 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1cccc(Cl)c1Cl 408607694 NRGPKQROVATEDI-VIFPVBQESA-N 437.732 3.961 0 40 IHAB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2cccc(C)c2)cc1 409004058 NVSNPTPDDRTLEQ-UHFFFAOYSA-N 438.549 3.876 0 40 IHAB COCCn1c(C)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c1C 409137840 YJBCVQITQMQFJA-WQRHYEAKSA-N 431.489 3.565 0 40 IHAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C3\C(=O)Nc4ccccc43)C2=O)cc1Cl 409184330 WDWVJSTXXVKPGO-MSUUIHNZSA-N 427.869 3.646 0 40 IHAB COc1ccc(C2=N/C(=C\c3ccccc3OC(=O)c3ccc4c(c3)OCO4)C(=O)O2)cc1 409192638 DCJCNZKKHQBWAO-UNOMPAQXSA-N 443.411 3.988 0 40 IHAB Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 409378184 NDJPMKSOLAVPJT-UHFFFAOYSA-N 444.475 3.966 0 40 IHAB CC(C)(C)n1cc(C(=O)NCc2ccc3c(c2)C(=O)NCC3)c(-c2ccc(F)cc2F)n1 541754704 WVLIHSZXICWVSQ-UHFFFAOYSA-N 438.478 3.799 0 40 IHAB O=C(Cc1ccc(C(F)(F)F)cc1)NC[C@H]1OCCc2cn(Cc3ccccc3)nc21 585111385 RPWMVGBVFPLBEX-HXUWFJFHSA-N 429.442 3.923 0 40 IHAB CCc1nccn1CCOc1cccc(CN2CCC[C@@](O)(COc3ccccc3)C2)c1 585272029 DYYBUVZNMMFOSN-SANMLTNESA-N 435.568 3.930 0 40 IHAB O=C1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@H]3Cc3ccccc3)cc2N1 604762383 ZRMMSRPPIFIZDG-INIZCTEOSA-N 449.370 3.730 0 40 IHAB COCc1cccc(C(=O)N2CCCCNC(=O)c3cc(Cl)ccc3OCCC2)c1 643558056 HVLGCPZNHLFGQG-UHFFFAOYSA-N 430.932 3.921 0 40 IHAB O=C(Cn1ccnc1)N1Cc2ccccc2NCC[C@@H]2CC[C@H](C1)N2Cc1ccccc1 643567138 SLKBNZHFLQJDLE-BJKOFHAPSA-N 429.568 3.761 0 40 IHAB CCOc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(CO)(c4ccccc43)[C@@H]2C1=O 706243 XSCQSEUYQUNHOC-ZCOIRKDISA-N 425.484 3.628 0 40 IHAB CCOc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=S)NC[C@@H]3CCCO3)cc2c1 883225 GBHCFGOINJHPSQ-IBGZPJMESA-N 441.553 3.576 0 40 IHAB O[C@H](COc1ccc2c(c1)OCO2)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 1003561 FJBCZMFEXMPRHS-QHCPKHFHSA-N 446.547 3.562 0 40 IHAB C[C@@H]1CCc2c(sc3nc(SCC(=O)c4ccc5c(c4)OCCO5)[nH]c(=O)c23)C1 1368040 TVDDODVSTQBULP-LLVKDONJSA-N 428.535 3.856 0 40 IHAB COc1ccccc1CNC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 2213294 FGGLQYAWWCKOCA-UHFFFAOYSA-N 431.521 3.746 0 40 IHAB Cc1cc(C(=O)COC(=O)c2ccc3c(c2)OCO3)c(C)n1C[C@H]1COc2ccccc2O1 2636282 DUHSZVWCRZJNEI-SFHVURJKSA-N 449.459 3.713 0 40 IHAB CC(=O)Nc1ccc(SCC(=O)Nc2ccc(I)cc2)cc1 2660532 XMPHZXNKLPIDLC-UHFFFAOYSA-N 426.279 3.980 0 40 IHAB O=C1CCCN1C(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C(F)(F)F 3404228 OKWMBZHYHNXKMA-UHFFFAOYSA-N 447.438 3.646 0 40 IHAB Cc1cc(C(=O)COC(=O)c2ccc3c(c2)OCO3)c(C)n1Cc1ccc2c(c1)OCO2 3542987 DBUHLIJVCGPORG-UHFFFAOYSA-N 435.432 3.650 0 40 IHAB O=C1Nc2ccc(-c3ccccc3F)cc2C(=O)N2CCN(C(=O)C3CCCCC3)C[C@H]12 4235884 JPNTVVVUKXUSGS-JOCHJYFZSA-N 435.499 3.678 0 40 IHAB biogenic,in-vitro Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1 6088857 ISGRWLUFUIHWOT-HNNXBMFYSA-N 431.539 3.967 0 40 IHAB COCCn1c(SCC(=O)N2CCCCC2)nnc1-c1cc2ccccc2cc1O 6905341 QBHMOCHIWXOWFN-UHFFFAOYSA-N 426.542 3.555 0 40 IHAB C[C@@H](NC(=O)CSc1nnc(CN2CCCC2)n1-c1ccccc1)c1ccc(F)cc1 8707322 HBTRNJGRCYMTTP-QGZVFWFLSA-N 439.560 3.972 0 40 IHAB COC(=O)[C@](NC(=O)c1ccc(Cl)cc1)(Nc1nc(C2CC2)cs1)C(F)(F)F 8846300 IHWHSKJPXREHMW-INIZCTEOSA-N 433.839 3.947 0 40 IHAB COC(=O)[C@H](CC(C)C)NC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1 8878602 UTCMJHDRMNTMGI-NZQKXSOJSA-N 440.540 3.949 0 40 IHAB biogenic CCc1nnc(NC(=O)[C@@H](C)Sc2nnc(-c3cc4cccc(OC)c4o3)n2C)s1 8884748 RJZGEQLMEFGZNA-SNVBAGLBSA-N 444.542 3.770 0 40 IHAB COc1cccc(C(=O)CSc2nnc([C@@H](C)NC(=O)c3ccc(Cl)cc3)n2C)c1 9095796 GKWKKKZHOAEGGI-CYBMUJFWSA-N 444.944 3.943 0 40 IHAB CCOC(=O)COc1ccc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)cc1 9295959 LJKCLIIEMXJRHU-RGEXLXHISA-N 427.478 3.744 0 40 IHAB C[C@@H](Sc1nnc(Cc2cccc3ccccc23)n1N)C(=O)Nc1ccc2c(c1)OCO2 9384272 NMKHKOZDIBWPSK-CQSZACIVSA-N 447.520 3.584 0 40 IHAB O=C1Cc2cc(S(=O)(=O)NC[C@@H](c3cccs3)c3c[nH]c4ccccc34)ccc2N1 9388413 SZCKGHNULMPHQR-GOSISDBHSA-N 437.546 3.834 0 40 IHAB C[C@H](O)Cn1c(SCC(=O)Nc2c(Cl)cccc2Cl)nc2ccccc2c1=O 9508192 QRDOJXXJEYZQAV-NSHDSACASA-N 438.336 3.815 0 40 IHAB Cc1ccccc1Cn1c(=O)c2c(nc3n2CCCN3c2cc(Cl)ccc2C)n(C)c1=O 9519188 NAQAPCYYGWCEJH-UHFFFAOYSA-N 449.942 3.757 0 40 IHAB O=C(CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O)Nc1ccc(F)c(F)c1 9539895 HKLIFXOQPDLZFN-XMMPIXPASA-N 435.430 3.593 0 40 IHAB C[C@@H](NC(=O)CNC(=O)c1sc2ccccc2c1Cl)c1ccc2c(c1)OCCO2 9594317 JCIMGMXAYHNDLI-GFCCVEGCSA-N 430.913 3.933 0 40 IHAB CCC(C)(C)C1CCC(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)CC1 9703929 XGVYRTRSINEVTE-UHFFFAOYSA-N 436.618 3.741 0 40 IHAB COc1ccc(C[C@@H](NC(=O)c2nn(C)c(=O)c3ccccc23)c2ccc(OC)cc2)cc1 9730269 AMFMTGAXYRBVQG-HSZRJFAPSA-N 443.503 3.665 0 40 IHAB COc1ccc([C@@H](NC(=O)Cn2nnc(-c3ccccc3Cl)n2)c2ccccc2)cc1 9730489 QAJCRUPXVWZPCH-QFIPXVFZSA-N 433.899 3.908 0 40 IHAB C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)Nc2ccc(F)cc2F)C1=O 9981735 PSHSFMUXTBXSBR-SFHVURJKSA-N 428.222 3.677 0 40 IHAB COc1cc(C(=O)NC(=S)Nc2cccc(-c3ccc(CO)o3)c2)cc(OC)c1OC 10004151 DMUVPGXBLKKCNI-UHFFFAOYSA-N 442.493 3.592 0 40 IHAB COc1ccc(NC(=O)C(=O)NC[C@@H](c2cccc3ccccc23)N2CCCC2)c(OC)c1 10334011 FJCLNDOTDKWEEV-QHCPKHFHSA-N 447.535 3.749 0 40 IHAB CCCCNC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O 10360188 FYOHMSMMYJBGLT-GOSISDBHSA-N 445.585 3.627 0 40 IHAB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)Nc2ccccc2SC(F)F)c1C 11456263 JUPTYSAZLQNXDB-UHFFFAOYSA-N 426.441 3.918 0 40 IHAB CCCCOc1ccc(C(=O)N2CCN(c3ccc(Nc4cccnc4)nn3)CC2)cc1 11697657 KYIWEANORILFHV-UHFFFAOYSA-N 432.528 3.757 0 40 IHAB COC(=O)c1sc2ccccc2c1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 11852704 VFWJIZNFPMUSDE-UHFFFAOYSA-N 444.534 3.725 0 40 IHAB Cc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)COc2ccc(C(C)C)cc2)n1 12006386 JVFQRISPBRKIAE-UHFFFAOYSA-N 433.468 3.665 0 40 IHAB O=C(Cn1c(=O)n(Cc2cccs2)c2ncccc21)N1CCC[C@@H](c2ccccc2)C1 12117483 FPNWSEBEUYYDSV-LJQANCHMSA-N 432.549 3.714 0 40 IHAB COCc1ccc(C(=O)N[C@@H]2CC(C)(C)Cc3nc(N4C[C@H](C)O[C@@H](C)C4)ncc32)cc1 12240998 CGXCVTWKPARADT-XGHQBKJUSA-N 438.572 3.680 0 40 IHAB COc1ccc(S(=O)(=O)c2c(C)c(C)n(Cc3ccco3)c2NC(=O)C2CC2)cc1 12391105 ARXBZCGKTYHRON-UHFFFAOYSA-N 428.510 3.936 0 40 IHAB COc1ccc(Cl)cc1NC(=O)Cn1c(C2CC2)nc2c(cnn2-c2ccccc2)c1=O 12441673 INBSURHVBNMPBM-UHFFFAOYSA-N 449.898 3.760 0 40 IHAB COc1ccc2cc(-c3csc(NC(=O)CN4C(=O)c5ccccc5C4=O)n3)oc2c1 12443599 JGQQFXMVCFGBQQ-UHFFFAOYSA-N 433.445 3.800 0 40 IHAB CCc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2NCC(C)C)cc1 12526760 WSJCBAYULSUIHL-UHFFFAOYSA-N 445.585 3.590 0 40 IHAB Cn1ccnc1[C@H](NC(=O)COc1c(Cl)cc(C(=O)O)cc1Cl)c1ccccc1 12535333 PSEONZPBMRPFMF-QGZVFWFLSA-N 434.279 3.710 0 40 IHAB CCn1c(SCC(=O)Nc2ccccc2F)nnc1[C@@H](C)NC(=O)c1ccccc1 12630789 XCEJDLMDEWTURM-CQSZACIVSA-N 427.505 3.659 0 40 IHAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)NCC(=O)Nc1ccccc1Br 12758013 HLLLUNHYSFZIRL-UHFFFAOYSA-N 446.276 3.931 0 40 IHAB C[C@@H](NC(=O)CCCNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(-n2cncn2)cc1 12783478 NDEMTAHGBWXBNJ-KNEUKCCGSA-N 435.572 3.557 0 40 IHAB CC(C)(CNC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)N1CCOCC1 12917777 KPZMXOFKMPXZII-UHFFFAOYSA-N 426.344 3.808 0 40 IHAB C[C@@H](C(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F)N1CCC[C@@H](C(F)(F)F)C1 12940816 VKXJISJMEQXYTL-QWHCGFSZSA-N 439.400 3.765 0 40 IHAB O=S(=O)(Nc1cccc(Cl)c1)c1cccc(NC(=S)NC[C@H]2CCCO2)c1 13069780 WRQCNQBBCNXJBK-MRXNPFEDSA-N 425.963 3.606 0 40 IHAB O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1ccc2nc(N3CCOCC3)sc2c1 13109563 WFNBZLISIQGHNP-GOSISDBHSA-N 440.550 3.575 0 40 IHAB O=C([C@@H](Sc1nnc(NCc2ccc(F)cc2)s1)c1ccccc1)N1CCOCC1 13128181 JBHYRMAJPXLAQO-SFHVURJKSA-N 444.557 3.982 0 40 IHAB C[C@@H]1CCc2c(sc3nc(CN4CCOCC4)nc(NCCNc4ccccn4)c23)C1 13134750 MZCXCMJVLUURBO-MRXNPFEDSA-N 438.601 3.567 0 40 IHAB COc1ccc([C@H]2C[C@]3(CC(C)(C)NC(=S)N3)Oc3cc(O)cc(C)c32)cc1OC 13521678 BTCOZNHGOKWHSS-WAIKUNEKSA-N 428.554 3.975 0 40 IHAB COc1cccc(CN(CCCN2CCOCC2)C(=S)Nc2ccc(C)cc2)c1OC 13691237 MAWDSJWCCVIYJB-UHFFFAOYSA-N 443.613 3.934 0 40 IHAB CC[C@H](C)N1C(=O)S/C(=C\c2cc(I)c(O)c(OC)c2)C1=O 13881465 RSUFHGZXWVBOEV-VQLBTBKJSA-N 433.267 3.840 0 40 IHAB CC(C)[C@H](NC(=O)CCS(=O)(=O)c1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 14182317 GEPLUICUOSIISY-NRFANRHFSA-N 437.945 3.789 0 40 IHAB CCOC(=O)c1ccc(N2CCN(CC)CC2)c(NC(=O)c2cccc(C)c2OC)c1 16681641 QNYIHUGPRMYKFQ-UHFFFAOYSA-N 425.529 3.575 0 40 IHAB O=C(Nc1nnc(-c2ccccc2)s1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 18703049 FTGYQJVMNJGJTQ-UHFFFAOYSA-N 448.957 3.895 0 40 IHAB Cc1ccsc1CN1CCc2nc([C@H]3CCCN3C(=O)[C@H]3CC=CCC3)[nH]c(=O)c2C1 19238666 DTAQOTVZXUPCDE-FXAWDEMLSA-N 438.597 3.718 0 40 IHAB COc1ccc(OC)c(C(=O)N2CCNC(=O)[C@H](Cc3cccc(-c4ccccc4)c3)C2)c1 19551076 RPWOOMSVRVZYQV-JOCHJYFZSA-N 444.531 3.802 0 40 IHAB COc1ccccc1C1=NO[C@H](CC2(C(=O)NCCc3cccc(F)c3)CCOCC2)C1 19569372 GYRWUUJPTXTQGT-FQEVSTJZSA-N 440.515 3.873 0 40 IHAB Cc1n[nH]c(C)c1CCC(=O)N1CCO[C@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 19578907 UHVLQUTZTWTPBC-KRWDZBQOSA-N 449.433 3.628 0 40 IHAB CN(C)C(=O)[C@@]1(Cc2ccc(-c3ccccc3F)cc2)CCCN(C(=O)c2cnccn2)C1 19579441 ZSOIHQOVQLXHGI-AREMUKBSSA-N 446.526 3.836 0 40 IHAB CC1=NN(CCC(=O)N2CCC[C@@H]2c2nc(N(C)C)ncc2-c2ccc(Cl)cc2)CC1 19690158 DATKUCDOOQUCFA-HXUWFJFHSA-N 440.979 3.998 0 40 IHAB COc1ccccc1OCc1cc([C@@H]2CCN(C(=O)CCN3CCc4ccccc43)C2)n[nH]1 19704637 WHTTYMODJXRMJW-HXUWFJFHSA-N 446.551 3.766 0 40 IHAB COCCC(=O)N1CCC[C@](O)(c2nc(C)c(COc3ccc(F)c(F)c3)s2)CC1 19705203 JOLMIPGWMZODRC-OAQYLSRUSA-N 440.512 3.545 0 40 IHAB Cc1nc(C)c(C(=O)N2CCC[C@@H]2c2nc(C)c3c(n2)N(Cc2ccc(F)cc2)C(=O)C3)o1 19739889 BBABSXSNZCDQEW-LJQANCHMSA-N 449.486 3.596 0 40 IHAB O=C(CCC(=O)N1CCC(c2ccccc2)=N1)OCc1c(F)c(F)c(F)c(F)c1F 21330720 BRCQCIFTSSXEBF-UHFFFAOYSA-N 426.341 3.842 0 40 IHAB O=C(NCc1ccccc1CN1CCOCC1)c1ccc(-n2cnc3ccccc32)cc1 22134477 WIBFYHNFLOPRID-UHFFFAOYSA-N 426.520 3.788 0 40 IHAB O=C1C[C@H](C(F)(F)F)N(C(=O)CSc2ncn(-c3ccccc3)n2)c2ccccc2N1 22286638 YONYXCOLVYMOMU-MRXNPFEDSA-N 447.442 3.666 0 40 IHAB CC(C)Oc1ccc(CCCNC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1 22330514 UJFHOLUWXPRHKL-UHFFFAOYSA-N 438.977 3.642 0 40 IHAB C[C@H](NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)c1ccccc1 22350768 ZZRWXBAUITZMNT-SFHVURJKSA-N 426.513 3.894 0 40 IHAB CCC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2 22446644 XZSMZRXAEFNJCU-UHFFFAOYSA-N 425.598 3.882 0 40 IHAB world CCC[C@@H](c1nnnn1Cc1ccc(F)cc1)N1CCN(Cc2ccccc2OC)CC1 22929234 GUCFFGAAKAONOZ-QFIPXVFZSA-N 438.551 3.528 0 40 IHAB CCCC(=O)Nc1ccc(S(=O)(=O)NCCOc2cccc(C(F)(F)F)c2)cc1 23143602 RVPGZKNJLDBIHH-UHFFFAOYSA-N 430.448 3.801 0 40 IHAB CCOc1cc2c(cc1CNC(=O)Cn1c(S)nnc1-c1cccc(C)c1)O[C@@H](C)C2 24646479 YYXQGHHWHBTXER-HNNXBMFYSA-N 438.553 3.581 0 40 IHAB Cc1ccc(NC(=O)CN(C)C(=O)[C@H](C)N[C@H](C)c2ccccc2Br)cc1 24922972 YRFJKJHEBUJVFQ-CVEARBPZSA-N 432.362 3.894 0 40 IHAB COc1ccc(CNS(=O)(=O)c2ccc(SC)c(C(=O)N3CCCCC3)c2)cc1 26116009 KMERNWOUORNUHC-UHFFFAOYSA-N 434.583 3.522 0 40 IHAB COc1ccccc1OCC(=O)Nc1sc2c(c1C(=O)NCc1cccnc1)CCC2 27663113 ZZKITCGBWAGDMM-UHFFFAOYSA-N 437.521 3.588 0 40 IHAB COc1ccccc1CCNC(=O)[C@H](C)NC(=O)c1ccc2nc(-n3cccc3)sc2c1 32090786 VVBLMAXIGSGZCQ-INIZCTEOSA-N 448.548 3.573 0 40 IHAB COc1ccccc1-n1cnc2cc(C(=O)Nc3ccc(NC(C)=O)cc3)ccc2c1=O 32102359 BRSFOXMHWSFFPF-UHFFFAOYSA-N 428.448 3.605 0 40 IHAB Cc1cccc(-c2nnc([C@@H](C)N3CCC(NS(=O)(=O)c4ccccc4)CC3)o2)c1 32879621 DWHINNYYMVIKQX-QGZVFWFLSA-N 426.542 3.549 0 40 IHAB O=C(N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1)[C@@H]1CC(=O)N(C2CC2)C1 32902946 ZQFXEGDGRAVHFH-QRWLVFNGSA-N 442.441 3.798 0 40 IHAB CCn1c(SCC(=O)Nc2nc(C)cs2)nnc1[C@@H](C)NC(=O)c1cccc(C)c1 33634750 HLGPGBGCTBJWEN-CQSZACIVSA-N 444.586 3.593 0 40 IHAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCCCC(=O)Nc1cccc2cccnc12 49030731 NQFKURQKEYCECG-UHFFFAOYSA-N 431.471 3.923 0 40 IHAB Cc1ccccc1-n1c(=O)c2sccc2n(CC(=O)Nc2ccc(Cl)cc2)c1=O 57489762 XGIUSHWRQCQAGI-UHFFFAOYSA-N 425.897 3.814 0 40 IHAB NS(=O)(=O)c1ccc(CCNc2ncc(-c3ccsc3)c(-c3nccs3)n2)cc1 57743513 QDZMVZSWOQOMOV-UHFFFAOYSA-N 443.579 3.631 0 40 IHAB CCOc1c(Br)cc(CN[C@@H](C(N)=O)c2ccccc2)cc1Br 58007844 FHHPXWVUJCHMTL-OAHLLOKOSA-N 442.151 3.927 0 40 IHAB CN(CC(=O)Nc1cccc(Cl)c1SC(F)F)C1=NS(=O)(=O)c2ccccc21 58406626 MIIZBKPIZILWIS-UHFFFAOYSA-N 445.900 3.674 0 40 IHAB Cc1oc(-c2ccccc2)nc1Cn1ccn2nc(-c3ccc4c(c3)OCO4)cc2c1=O 64977505 UDIKNSXETAVMTN-UHFFFAOYSA-N 426.432 3.903 0 40 IHAB COc1ccc([C@H](C)NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2CC(C)C)cc1 67237904 PXTKYNAADWVAGF-HNNXBMFYSA-N 428.558 3.667 0 40 IHAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](c2ccc(Nc3ccccn3)cn2)C1 72353426 WJGMPADJHMLFPZ-INIZCTEOSA-N 442.516 3.936 0 40 IHAB Cn1nc(C2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)n(C2CC2)c1=O 77148626 CRQWHHWVFKPZAO-UHFFFAOYSA-N 430.552 3.845 0 40 IHAB COc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC(OCCCO)CC2)cc1Cl 83953087 NZMSCUKIJFURAL-QFIPXVFZSA-N 432.948 3.892 0 40 IHAB CCOC(=O)c1sc2ncnc(N(Cc3ccccc3)CC3(O)CCOCC3)c2c1C 89984792 QZJUCRWEYQFITI-UHFFFAOYSA-N 441.553 3.725 0 40 IHAB O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[C@@H](CN2CCOCC2)C1 97164605 KIXSVCYGVWBRJT-LBPRGKRZSA-N 425.373 3.910 0 40 IHAB CCCCNC(=O)N(CCc1ccccc1OC)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1=O 102846341 AJOLTKCWHCIXMR-OAQYLSRUSA-N 437.540 3.690 0 40 IHAB Cc1noc(C)c1CCC(=O)N1CCC(N2CCC(Oc3ccccc3F)CC2)CC1 217381622 YNBJXILBSPUXGB-UHFFFAOYSA-N 429.536 3.898 0 40 IHAB Cc1ccc2cc([C@H](c3nnnn3Cc3ccccc3)N3CCC[C@@H](C)C3)c(=O)[nH]c2c1 222471077 MBKRWMDBOTTZSD-WZONZLPQSA-N 428.540 3.693 0 40 IHAB CCOC(=O)C1CCN(C(=O)CCc2ncc(-c3cccc(Br)c3)o2)CC1 224888542 QNTHSFUVFVECSV-UHFFFAOYSA-N 435.318 3.838 0 40 IHAB CCOc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc(OC)c(C)c3C)n2)cc1 225047945 OQZADVQCANHRCJ-UHFFFAOYSA-N 431.514 3.581 0 40 IHAB COC(=O)C[C@@H](c1cccnc1)c1c(O)cc(C)n(CCc2c[nH]c3ccccc23)c1=O 253414198 WSYUNBMSCHJZJV-FQEVSTJZSA-N 431.492 3.676 0 40 IHAB biogenic CC(=O)Nc1nc(C)c(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4N[C@@H]3Cc2ccccc2)s1 257247568 IZNKOYGDNQGLJV-BORCDFBASA-N 438.597 3.766 0 40 IHAB CC(=O)N1CCC(Cc2ccc(F)cc2)(C(=O)N2CCCC[C@@H]2c2n[nH]cc2C)CC1 257260678 LDWKAFSDPWVFRS-OAQYLSRUSA-N 426.536 3.782 0 40 IHAB O=C1CC2(CCN(C(=O)c3cccc(Oc4ncccn4)c3)CC2)[C@@H](c2ccccc2)CN1 257273383 NGIYAADZXIWMPO-JOCHJYFZSA-N 442.519 3.795 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N2c3ccccc3C[C@H]2C)cc1Cl 260749108 STJWNJVDNZOSOG-OAHLLOKOSA-N 436.961 3.727 0 40 IHAB CCOC(=O)COc1ccc2ccccc2c1/C=C(\Sc1n[nH]c(CC)n1)C(=O)O 408631864 MKJBKTTUAANRAL-BOPFTXTBSA-N 427.482 3.680 0 40 IHAB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1cccs1 408656452 SJHLQZTYGFJHDB-ZIAGYGMSSA-N 428.897 3.593 0 40 IHAB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3cccs3)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1 408665041 ZHZARUNIRSCDEO-IAGOWNOFSA-N 442.924 3.983 0 40 IHAB COc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccc(C)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 409057980 QSFQBPFREVVWPL-VNGKGULCSA-O 448.930 3.673 0 40 IHAB COc1ccccc1/C=[N+]1\NC(=O)[C@@H](NC(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Cl)cc1 409059048 QQLKESJOFZBTMK-WAUWHALJSA-O 448.930 3.673 0 40 IHAB Cc1cccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3ccc(Cl)cc3)n2C)c1 409144470 ODABTVIQYGYHOE-AWEZNQCLSA-N 443.960 3.999 0 40 IHAB COCc1cccc(-c2n[nH]c3c2CCN(C(=O)C2(c4ccc(OC)cc4)CC2)CC3)c1 585110440 WLKKKZRFABCJSM-UHFFFAOYSA-N 431.536 3.891 0 40 IHAB O=C(Nc1ccc(C(F)(F)F)c(Cl)c1)c1c2c(nn1[C@@H]1CCS(=O)(=O)C1)CCC2 585188667 BZWWTJXBSROIKK-LLVKDONJSA-N 447.866 3.656 0 40 IHAB COc1cc2nc3n(c(=O)c2cc1OC)NC(=O)C(c1ccccc1)(c1ccccc1)S3 685944353 MLAWXLUAVLSGSH-UHFFFAOYSA-N 445.500 3.533 0 40 IHAB CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(C(=O)Cc3c[nH]c4ncccc34)CC2)C1 1640366691 OWAGEPSQIJVNAN-GOSISDBHSA-N 426.561 3.991 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N1CCC(COc2ccc(C(C)(C)C)nn2)CC1 1775969830 MYRQWSUZCDBAAH-UHFFFAOYSA-N 433.574 3.571 0 40 IHAB O=C(N1CCC(Cn2cnc3cc(F)ccc3c2=O)CC1)C1(c2ccccc2)CCOCC1 1888994469 AJKYAGNZEMACAL-UHFFFAOYSA-N 449.526 3.523 0 40 IHAB CCOC(=O)c1sc(NC(=O)[C@@H](OC(C)=O)c2ccccc2)c(C(=O)OCC)c1C 707040 UITQAVDMHQUBKE-INIZCTEOSA-N 433.482 3.653 0 40 IHAB CC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2N)cc1 2369047 OFJDOYJTHNRLHD-UHFFFAOYSA-N 438.557 3.646 0 40 IHAB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NCc1ccccc1Cl 3425989 QAJFUMWUSCLPPW-UHFFFAOYSA-N 428.941 3.847 0 40 IHAB CCOC(=O)C1=C(C)N=C2S[C@@H](CC)C(=O)N2[C@H]1c1ccc(OC(C)=O)c(OCC)c1 3636701 XVSHPUHKOCXVDA-HKUYNNGSSA-N 446.525 3.612 0 40 IHAB CCCCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc2c(cc1Br)OCO2 4141503 GQPKGZGUZWJMBN-QGZVFWFLSA-N 439.306 3.929 0 40 IHAB COc1ccc(N2C(=O)[C@@H]3[C@@H](CCN3C(=O)C(C)(C)C)N(Cc3ccccc3)C2=O)cc1 4236399 SLDWXPQOUOIMAP-RTWAWAEBSA-N 435.524 3.680 0 40 IHAB biogenic,in-vitro COc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)cc2)cc1OC 6162707 XCMQGVNWOBMQCH-UHFFFAOYSA-N 435.480 3.512 0 40 IHAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1ccc(N3CCCCC3)cc1)C2=O 6249058 QQHDUVDCRPNDGZ-MZNJEOGPSA-N 426.561 3.752 0 40 IHAB COc1ccc(C(=O)Nc2cccc(F)c2)cc1S(=O)(=O)N(C)Cc1ccccc1 8983291 FQMWAQOLXKPCFV-UHFFFAOYSA-N 428.485 3.907 0 40 IHAB Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)NCc1ccccn1 9095689 NLAQSCGBNVVVOO-UHFFFAOYSA-N 445.928 3.539 0 40 IHAB CC1(C)COc2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2NC1=O 9173328 MGHSFTCRYDMAEV-UHFFFAOYSA-N 425.304 3.607 0 40 IHAB Cc1ccc2nc(NC(=O)CSc3nnc4ccc(-c5ccncc5)nn34)sc2c1 9241449 XYYXAIICVIDUAR-UHFFFAOYSA-N 433.522 3.835 0 40 IHAB O=C(COC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1ccc2c(c1)OCO2 9255012 PFALKUJSCOQDKC-UHFFFAOYSA-N 427.416 3.703 0 40 IHAB CCn1c(CC(=O)Nc2ccccc2C)nnc1S[C@H](C)C(=O)Nc1nc(C)cs1 9264082 SHTTXNQRBLYGFZ-CQSZACIVSA-N 444.586 3.672 0 40 IHAB C[C@@H](NC(=O)CCc1nc2ccccc2n(CCc2ccccc2)c1=O)c1cccnc1 9368218 HVYVIRZGJJWXCB-LJQANCHMSA-N 426.520 3.844 0 40 IHAB Cc1c(-c2ccccc2)oc2c(C(=O)OCn3nnc4ccccc4c3=O)cccc2c1=O 9579996 SYTOMTPNLSWOJS-UHFFFAOYSA-N 439.427 3.688 0 40 IHAB O=C(Nc1nc(-c2cccs2)cs1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 9587105 QOMCMBLVBVNGOM-GFCCVEGCSA-N 427.507 3.634 0 40 IHAB CC(=O)c1cccc(Nc2nc(Nc3cccc(C(C)=O)c3)nc(N3CCOCC3)n2)c1 9708863 JQYPTYUDXPGKFO-UHFFFAOYSA-N 432.484 3.601 0 40 IHAB O=S(=O)(Nc1ccc(Cl)cc1)c1cccc(NC(=S)NC[C@H]2CCCO2)c1 9716331 KGVMNIVOZKYTKF-MRXNPFEDSA-N 425.963 3.606 0 40 IHAB Cc1ccc([C@]2(c3ccccc3)NC(=O)N(CC(=O)c3ccc4c(c3)OCO4)C2=O)cc1C 9865499 FFTJETUPBFDADB-SANMLTNESA-N 442.471 3.710 0 40 IHAB O=C([C@@H]1CN(C(=O)/C=C/c2ccc3c(c2)OCCCO3)c2ccccc2O1)N1CCCCC1 9869886 TZVCXGKCOPADGA-YKATVRGKSA-N 448.519 3.668 0 40 IHAB C[C@@H](C(=O)NCCSCc1ccccc1F)N(c1cccc(Cl)c1)S(C)(=O)=O 10281741 FMMSBZWJYQKKQS-AWEZNQCLSA-N 444.981 3.683 0 40 IHAB COC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2C)c1 10440775 OVGJCBOGAJFTOG-UHFFFAOYSA-N 430.526 3.599 0 40 IHAB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 11140067 CFTREWLMRDTFTQ-FQEVSTJZSA-N 431.895 3.999 0 40 IHAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCCCC3)c3ccncc23)cc1 11258592 SWLFYCSTRHWGLS-UHFFFAOYSA-N 438.553 3.728 0 40 IHAB Cc1nc(-c2ccccc2)sc1C(=O)NCCCn1nc(-c2ccncc2)ccc1=O 11746536 GVFYBKWSTZZAEL-UHFFFAOYSA-N 431.521 3.557 0 40 IHAB COc1cc(C(=O)Nc2cccc(-n3c(C)nc4ccccc4c3=O)c2)cc(OC)c1OC 12342256 PALSQMRDFAWQDS-UHFFFAOYSA-N 445.475 3.972 0 40 IHAB Cc1ccc(NC(=O)CCCSc2ccccc2)cc1S(=O)(=O)N1CCOCC1 12549682 YHAAWCNWMHMMBD-UHFFFAOYSA-N 434.583 3.527 0 40 IHAB O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc(Br)c1 12805693 CGJOAJZEXYWCBH-UHFFFAOYSA-N 437.359 3.554 0 40 IHAB CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)Cc2c(Cl)cccc2Cl)cc1 12896894 MCSKFUIHAJPZAZ-UHFFFAOYSA-N 429.369 3.680 0 40 IHAB CN(Cc1ccc(Cl)cc1)C(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 12933615 VTWZATPSLNQARZ-UHFFFAOYSA-N 435.977 3.856 0 40 IHAB COc1cc2ccccc2cc1C(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 12984893 HIOOSUJFTDUESC-UHFFFAOYSA-N 437.927 3.898 0 40 IHAB Cc1cc(C)c(NC(=O)CN(C)C(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)c(C)c1 12998687 RFNMPZZSNLWPAL-LJQANCHMSA-N 441.959 3.711 0 40 IHAB CN(CC(=O)Nc1cc(Cl)ccc1OCC(F)(F)F)S(=O)(=O)c1cccs1 13009843 FCDALTCKTWSTBU-UHFFFAOYSA-N 442.868 3.602 0 40 IHAB COc1ccc(N(C(=O)C23CC4CC(CC(C4)C2)C3)[C@H]2C=CS(=O)(=O)C2)c(OC)c1 13097535 UVXIULCXRQVPPE-WMVQRKQLSA-N 431.554 3.564 0 40 IHAB Cc1ccc([C@@H](c2nnnn2Cc2ccco2)N2CCN(c3ccc(F)cc3)CC2)cc1 13505044 VFPDQHAAMXGWHO-QHCPKHFHSA-N 432.503 3.674 0 40 IHAB CCc1nn2c3c(nnc2c1-c1ccc(OC)c(OC)c1)C(=O)C[C@H](c1ccccc1O)C3 13639485 AEWXOPMACSJJLN-OAHLLOKOSA-N 444.491 3.989 0 40 IHAB O=C(c1cccnc1)N1CCc2ccc(NS(=O)(=O)Cc3ccccc3Cl)cc21 13697171 YMJRHZDFSJFJLH-UHFFFAOYSA-N 427.913 3.880 0 40 IHAB O=C(CN[C@H](c1ccccc1)c1cccs1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 14197848 BABRYUNQKRUTIO-NZQKXSOJSA-N 440.590 3.647 0 40 IHAB O=C(NCc1ccc(CN2CCOCC2)cc1)C1C[C@@H]2CC[C@H](C1)C21SCCS1 14235988 UJARJFHVPPXBHL-SEJPIABJSA-N 432.655 3.748 0 40 IHAB O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)[C@H]1Cc2cc(Cl)ccc2O1 15584423 SDGVETILZDMCFJ-HXUWFJFHSA-N 434.945 3.847 0 40 IHAB Cn1ccnc1[C@H](NC(=O)C[C@@H](NC(N)=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 16262135 JLEVCUGRYKXOCB-IEBWSBKVSA-N 446.338 3.732 0 40 IHAB O=C(NCC(=O)N1CCC[C@@H]1C(=O)Nc1ccc2ccccc2c1)OCc1ccccc1 16480292 YVMWGYRWDXZYLQ-JOCHJYFZSA-N 431.492 3.696 0 40 IHAB CCOC(=O)c1ccc(-c2ccc(/C=c3\sc4nc(-c5ccccc5)nn4c3=O)o2)cc1 16735337 XJTHNGWBKGBKEO-ZHZULCJRSA-N 443.484 3.802 0 40 IHAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3nc4ccccc4s3)cs2)cc1 16913813 VEWDAKGKYWPALZ-UHFFFAOYSA-N 444.563 3.922 0 40 IHAB CCOC(=O)c1sc2nc(C)nc(Nc3ccc(C)c(S(=O)(=O)N(C)C)c3)c2c1C 18899696 XGPRNCHYDQXBIX-UHFFFAOYSA-N 448.570 3.787 0 40 IHAB O=C(CCc1ccccc1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(C1CCCC1)C2 19370788 QUQCDIVNUVBTEX-HSZRJFAPSA-N 434.584 3.757 0 40 IHAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)c3ccc(=O)n(C)c3)cc2N1 19451264 PERVCZPCHOYUTC-BHYGNILZSA-N 437.466 3.503 0 40 IHAB O=C(OCc1ncc(-c2ccccc2)o1)c1ccccc1S[C@H]1CCS(=O)(=O)C1 19471560 LLMLQJKDDMOCQY-INIZCTEOSA-N 429.519 3.978 0 40 IHAB CCc1n[nH]c(C(=O)N2CC[C@@](Cc3cccc(-c4ccc(F)cc4)c3)(C(N)=O)C2)c1C 19520912 GTYUCHILGHHUNM-VWLOTQADSA-N 434.515 3.647 0 40 IHAB COc1ccccc1CC(=O)N1CCNC(=O)[C@H](Cc2ccc(-c3ccccc3F)cc2)C1 19569658 NATJBIVUNDOJDM-JOCHJYFZSA-N 446.522 3.861 0 40 IHAB CCN(CC(=O)Nc1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930219 NOPHYAVMDZOKBX-UHFFFAOYSA-N 447.340 3.660 0 40 IHAB CCCCCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(Cl)c1 20006437 BXXFQJVDEJAGJM-IBGZPJMESA-N 438.977 3.545 0 40 IHAB C[C@H](NC(=O)c1cnc2sc3c(n2c1=O)CCCC3)c1ccc(Br)cc1 20030117 KQYFWONFFSADOM-NSHDSACASA-N 432.343 3.888 0 40 IHAB Fc1ccccc1COc1ccc(Br)cc1CNCCCN1CCOCC1 22074084 OLXHPZSZOHXSMT-UHFFFAOYSA-N 437.353 3.979 0 40 IHAB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NC2CCCCCC2)cc1 22271177 GPJPVSAINNTVJA-QHCPKHFHSA-N 444.597 3.814 0 40 IHAB Cc1nc2sc([C@H](c3ccccc3F)N3CCN(c4ccccc4F)CC3)c(O)n2n1 22627161 ZVCUNTQOUIXAFF-IBGZPJMESA-N 441.507 3.995 0 40 IHAB CCOc1cc2c(cc1CNC(=O)Cn1c(S)nnc1-c1cccc(C)c1)O[C@H](C)C2 24646471 YYXQGHHWHBTXER-OAHLLOKOSA-N 438.553 3.581 0 40 IHAB Cc1ccc(C(=O)[C@H](C)OC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1C 25283834 IZLNZBRKZRRVHV-WMZOPIPTSA-N 435.567 3.580 0 40 IHAB COc1ccc(-n2nnnc2SC[C@@H](O)Cn2c3ccccc3c3ccccc32)cc1 25644196 DAQVSXCKNOFVKY-KRWDZBQOSA-N 431.521 3.932 0 40 IHAB CCNc1ccc(S(=O)(=O)N(C)C)cc1NCc1cc(=O)oc2c(C)c(C)ccc12 28071690 TWNIIQROVNPMDK-UHFFFAOYSA-N 429.542 3.704 0 40 IHAB COCCNC(=O)COc1nc(CN2CCCCC2)nc2scc(-c3cccs3)c12 28616790 KUMASNMYCKUYAM-UHFFFAOYSA-N 446.598 3.547 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N[C@H](CC(C)C)c1ccccc1 30854154 IENBAJBSWCFVSL-OAQYLSRUSA-N 430.570 3.997 0 40 IHAB CCN(C(=O)[C@@H](C)Sc1ncc(-c2ccc(Cl)cc2)o1)[C@H]1CCS(=O)(=O)C1 32872098 LJZWADBCRRKDND-DOMZBBRYSA-N 428.963 3.511 0 40 IHAB Cc1nc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)c2c(C)c(C)sc2n1 33010755 HMPBEFRMGHWYGY-UHFFFAOYSA-N 436.990 3.781 0 40 IHAB C[C@H]1CN(C(=O)C2CCN(C(=O)CCc3cccc(Cl)c3Cl)CC2)C[C@H](C)O1 40121015 NKAQERFPLJBUKR-GJZGRUSLSA-N 427.372 3.800 0 40 IHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cccc(-n2ccnc2SC)c1 40140453 MZRPECHMVRURLG-UHFFFAOYSA-N 427.482 3.650 0 40 IHAB CCc1ccccc1NC(=O)Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2ccccc21 51357801 YBKYONQMOKKNHW-UHFFFAOYSA-N 431.467 3.552 0 40 IHAB COc1ccc(C(=O)CSc2nnc(-c3cc4ccccc4o3)n2C)c(OC)c1O 72191452 FXSZPURVJFDXEN-UHFFFAOYSA-N 425.466 3.926 0 40 IHAB CC1CCN(c2nc(O)c3c(n2)CN(Cc2cccn2Cc2ccccc2F)CC3)CC1 72335649 HUVXGZGHHJQOMZ-UHFFFAOYSA-N 435.547 3.966 0 40 IHAB CCN1CCN(C(=O)c2ccc(COC)cc2)[C@H](Cc2ccccc2-c2ccncc2)C1=O 72351341 PVZMTIAWMMXUJU-RUZDIDTESA-N 443.547 3.811 0 40 IHAB CNC(=O)c1sc2ccccc2c1C[C@H]1CCCN1C(=O)c1ccc(-n2cccn2)nc1 72370328 VBYNKSOJQAZLAF-QGZVFWFLSA-N 445.548 3.689 0 40 IHAB Cc1nc([C@@H]2CCCN(C(=O)CCc3ccccc3)C2)nc2c1CCC(=O)N2CC1CC1 72371134 RGFCLBGNESQSCL-OAQYLSRUSA-N 432.568 3.813 0 40 IHAB CCCc1cc(=O)oc2cc(C)cc(OCC(=O)NC[C@@H]3CCCN4CCCC[C@H]34)c12 79191627 ZYPFZMQDZAFTQZ-VQTJNVASSA-N 426.557 3.813 0 40 IHAB biogenic CCCCc1cc(=O)oc2cc(C)cc(OCC(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)c12 100762820 RCJINVKJESWGOW-CALCHBBNSA-N 429.513 3.830 0 40 IHAB COCCn1/c(=N/C(=O)c2nc3ccccc3s2)sc2cc(OC)c(OC)cc21 101035648 UHGQAPCZNUQPLW-XDOYNYLZSA-N 429.523 3.717 0 40 IHAB CSc1cccc(N2C(=O)[C@H]3N=NN(Cc4nc(-c5ccc(C)c(C)c5)no4)[C@@H]3C2=O)c1 101892803 VJGFFWBKWLUTQT-OALUTQOASA-N 448.508 3.569 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NC3CCCC3)cc2)cc1Cl 107662688 QOULLXLORGXGSM-UHFFFAOYSA-N 438.933 3.587 0 40 IHAB O=C(CNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1)Nc1cccc(Cl)c1Cl 107834502 YSLJNFKPEMMMCD-UHFFFAOYSA-N 435.094 3.994 0 40 IHAB CCOc1ccc(-c2ccc(/C=C3\NC(=O)N(Cc4ccc(C(=O)OC)o4)C3=O)o2)cc1 108120447 IFCKZXFLHSKCLC-PDGQHHTCSA-N 436.420 3.818 0 40 IHAB CCOC[C@@]1(C(N)=S)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218126579 ZRBWAJFJOXJGTB-WSTZPKSXSA-N 439.986 3.597 0 40 IHAB CCOc1ccc(N([C@@H](CC)C(=O)NCc2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1 220678782 AOPZPXCMWMBBLL-QFIPXVFZSA-N 448.585 3.734 0 40 IHAB CC[C@H](C(=O)NCCc1ccccc1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 220690434 WQFHOEFGZAQWNX-GOSISDBHSA-N 429.369 3.897 0 40 IHAB Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1)CC(C)(C)O2 222703029 HMLXMYKFYMWUQB-UZLBHIALSA-N 446.569 3.577 0 40 IHAB COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(C(=O)O)c1 223066727 LWADIDBDTMBDFF-NHCUHLMSSA-N 436.537 3.580 0 40 IHAB CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1cccc(C)c1 223079806 GBQOEJTUAZFCDR-MRXNPFEDSA-N 433.346 3.690 0 40 IHAB CCC1(CC)C[C@@H](NC(=O)CN(Cc2ccccc2F)S(C)(=O)=O)c2ccccc2O1 223177027 CHEWZHKTPAVARG-HXUWFJFHSA-N 448.560 3.786 0 40 IHAB CCc1ccc(CC)c(CNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 223419499 LJNCYLWGECUXIZ-UHFFFAOYSA-N 428.598 3.670 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccccc2)c2ccc(F)cc2)cc1 223592864 VGYDMISGJXVYQS-UHFFFAOYSA-N 442.512 3.525 0 40 IHAB CC[C@H](C(=O)NCCOc1cc(C)cc(C)c1)N(c1cc(C)cc(C)c1)S(C)(=O)=O 224101473 BATDTBWGHKOUTI-JOCHJYFZSA-N 432.586 3.660 0 40 IHAB CC[C@@H](C(=O)NCCOc1ccc(C(C)(C)C)cc1)N(c1ccccc1)S(C)(=O)=O 224299264 QLQCPIDUOKIJQH-NRFANRHFSA-N 432.586 3.724 0 40 IHAB CSc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1NC(C)=O 225115663 PUQVEORTDAGTJA-UHFFFAOYSA-N 447.582 3.794 0 40 IHAB COc1cccc(C(=O)N(C)[C@H]2CCCN(c3ccccn3)C2)c1OCc1ccccn1 257261977 LJMXWQSKJHSGJD-FQEVSTJZSA-N 432.524 3.805 0 40 IHAB CC(C)NC(=O)C(=O)Nn1c(C(=O)Nc2ccc(Cl)cc2)cc2cc(Cl)ccc21 408611389 WBPADDVNLPTVDR-UHFFFAOYSA-N 433.295 3.795 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccc(NC(C)=O)c3)o2)cc1 408637168 GKOZGXBNJPFKDW-UHFFFAOYSA-N 440.481 3.603 0 40 IHAB O=C(COC(=O)CCCC(=O)NC1CCCCC1)Nc1ccc(Br)cc1 408643406 ATTWXTXIGJJATN-UHFFFAOYSA-N 425.323 3.550 0 40 IHAB COC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(C)c(Cl)c2)cc1 408669049 VXQKJNWJWNCWEZ-UHFFFAOYSA-N 446.887 3.726 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCCSCc1ccccc1)c1cccc(Cl)c1 408679489 MJEVNHYYRXOUDO-UHFFFAOYSA-N 441.018 3.936 0 40 IHAB C[C@@H](C(=O)Nc1c(Cl)cccc1Cl)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408704334 MGDZQOACEVRIGN-NSHDSACASA-N 445.324 3.558 0 40 IHAB CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)NCCOc2ccccc2)cc1 408768169 ULMQXJCGGXDGGO-UHFFFAOYSA-N 432.586 3.798 0 40 IHAB Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1 408969753 TXVPRGXJVDSPCL-UHFFFAOYSA-N 437.359 3.797 0 40 IHAB CCOc1cc(C(=S)N2CCOCC2)ccc1OCC(=O)Nc1cccc(Cl)c1 409240278 SEZGXJUTJWMFJE-UHFFFAOYSA-N 434.945 3.764 0 40 IHAB COc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1Cl 409392174 PVSWRAZGBWIHQV-VIFPVBQESA-N 437.732 3.961 0 40 IHAB Cc1nc(NC(=O)[C@H](C)NS(=O)(=O)c2cccs2)sc1Cc1ccc(F)cc1 520387674 CLOQFJVPLSSKOC-LBPRGKRZSA-N 439.559 3.548 0 40 IHAB Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(Cc3ccn(-c4cccc(F)c4)n3)C2)cc1 585761332 BNCWTFPTWNGXCE-IBGZPJMESA-N 442.560 3.510 0 40 IHAB Cc1ccccc1OCC(=O)Nc1ccc(N2CCN(C(=O)C(C)C)CC2)c(Cl)c1 623960 BAURRNRAFNHHFA-UHFFFAOYSA-N 429.948 3.971 0 40 IHAB CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)sc(C)c1C 951624 VVGRQZUZQKVHEW-UHFFFAOYSA-N 436.555 3.578 0 40 IHAB Cc1cccc2cc(CN(Cc3ccc(F)cc3)C(=O)c3ccncc3)c3nnnn3c12 1376785 HOGSJCOMAIUYSK-UHFFFAOYSA-N 426.455 3.963 0 40 IHAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(C)(C)C)cc3)c(=O)n2[C@@H]1c1ccccc1 2059820 FQKKRMLEYKXHRJ-MNJKBJKMSA-N 446.572 3.706 0 40 IHAB Cc1c(O[C@@H](C)C(=O)N[C@H](C(=O)O)c2ccccc2)ccc2c3c(c(=O)oc12)CCCC3 2104677 JUZNJLMPVMZQFK-BTYIYWSLSA-N 435.476 3.690 0 40 IHAB biogenic CCOC(=O)[C@@H](C)Oc1cc2c(C(=O)OCCOC)c(C)oc2cc1Br 2320589 HOVDCIDXYXMONQ-LLVKDONJSA-N 429.263 3.637 0 40 IHAB biogenic C[C@H](Sc1nnc2sc3ccccc3n12)C(=O)Nc1ccc(N2CCOCC2)cc1 2663788 NSHJCFQRFZXZQJ-AWEZNQCLSA-N 439.566 3.900 0 40 IHAB Cc1ccc(C)c(NC(=O)CSc2nnc(-c3cccc(Br)c3)n2N)c1 2684307 QNSGVGVMQDKRDB-UHFFFAOYSA-N 432.347 3.769 0 40 IHAB Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)cc1 2726311 PSNVOHLDNIOPMZ-UHFFFAOYSA-N 440.487 3.731 0 40 IHAB COc1ccc(N2C(=O)C[C@@H](N(CCc3ccccc3)C(=O)c3cccc(F)c3)C2=O)cc1 2770452 LJVUMCCCSPFCQG-HSZRJFAPSA-N 446.478 3.851 0 40 IHAB Cc1cc(I)ccc1NC(=O)COC(=O)[C@]1(C)CC1(Cl)Cl 3275778 WKBZLFJMKJLXAR-ZDUSSCGKSA-N 442.080 3.665 0 40 IHAB Cc1cc(C)c(C)c(S(=O)(=O)N[C@@H](C)C(=O)OCc2nc3ccccc3s2)c1C 3405183 KRYSWLYRDKVFQA-INIZCTEOSA-N 432.567 3.940 0 40 IHAB COc1ccc(OC)c(NC(=O)CSc2nc3ccccc3c(=O)n2CC(C)C)c1 3493885 WGGSGPKVFVVTGP-UHFFFAOYSA-N 427.526 3.801 0 40 IHAB O=c1ccn([C@H]2C=C[C@H](OC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)[nH]1 4106358 QMBXXDQXCWZTRH-RPBOFIJWSA-N 438.483 3.956 0 40 IHAB C[C@@]1(c2ccccc2Cl)NC(=O)N(CC(=O)Nc2ccc(N3CCCCC3)cc2)C1=O 8728541 FKBCRVPUHQOEAB-QHCPKHFHSA-N 440.931 3.736 0 40 IHAB Cc1ccc(CNC(=O)c2nc(S(=O)(=O)Cc3cccc(C)c3)ncc2Cl)cc1 8917617 NZTLRBWBOOXRMV-UHFFFAOYSA-N 429.929 3.651 0 40 IHAB COc1ccc(C)cc1NC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)CC1 9191022 ZXAULXMKGWTYAN-FQEVSTJZSA-N 449.551 3.542 0 40 IHAB CCOC(=O)C1=C(CN2CCc3ccccc32)NC(=O)N[C@H]1c1ccccc1OC(F)F 9221151 WDCLGLYUQWTYBO-FQEVSTJZSA-N 443.450 3.522 0 40 IHAB Cc1cc(OCC(=O)Nc2ccc(N3CCN(C(=O)C(C)C)CC3)cc2)ccc1Cl 9234318 KBGYKXZYUCHCRY-UHFFFAOYSA-N 429.948 3.971 0 40 IHAB Cc1ccc(O)c(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)[nH]n2)c1 9243143 MVLUYKGPNIIXFJ-UHFFFAOYSA-N 440.525 3.518 0 40 IHAB CCOc1ccc(N(C(=O)c2cccc(Br)c2)[C@H]2C=CS(=O)(=O)C2)cc1 9415834 FIWHGXRWTYIEEZ-KRWDZBQOSA-N 436.327 3.805 0 40 IHAB Cc1ccc(N2C(=O)CC[C@@H](C(=O)OCC(=O)NCC(C)C)[C@@H]2c2cccs2)cc1 9603091 DLCQAZMDBKNTND-XMSQKQJNSA-N 428.554 3.856 0 40 IHAB Cc1ccc2sc(N(CCN(C)C)C(=O)c3ccc(S(C)(=O)=O)cc3)nc2c1C 9708004 COHQFPOFRDRRPT-UHFFFAOYSA-N 431.583 3.525 0 40 IHAB O=C(c1ccc(Cl)cc1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 9892003 XSMFKEWQXVLHPJ-UHFFFAOYSA-N 429.307 3.502 0 40 IHAB COc1cc(Cl)c(C)cc1NC(=O)c1ccccc1NC(=O)CSc1ncn[nH]1 9984287 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Cc1cccc2c1OC1(CCN(S(C)(=O)=O)CC1)N1N=C(c3ccc(Cl)cc3)C[C@H]21 13805409 IJPNUJIOHRCEAT-HXUWFJFHSA-N 445.972 3.944 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccc(OC(F)(F)F)cc1 15511519 ZZCQXPODNURHFV-UHFFFAOYSA-N 428.432 3.930 0 40 IHAB Cc1cc(C)n(CC(=O)Nc2cccc(Cl)c2C)c(=O)c1S(=O)(=O)c1ccccc1 17011460 LWCMZULXODYSHX-UHFFFAOYSA-N 444.940 3.898 0 40 IHAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1cccc(NC(=O)OC(C)(C)C)c1 18072326 WEEJBFFBECUZGH-UHFFFAOYSA-N 429.492 3.951 0 40 IHAB COc1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(C)c(C)cc2O3)cc1OC 19125172 DEMQNPMNPGBYCA-SFTDATJTSA-N 427.541 3.705 0 40 IHAB CC(C)NC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)c2cnccn2)C1 19449506 GZUAANFDQJTREX-XMMPIXPASA-N 434.565 3.805 0 40 IHAB CC(C)c1cc(C(=O)N(C[C@@H]2CCCO2)c2nc3c(s2)CCc2c-3cnn2C)on1 19452775 KTBVKIODRNFTOI-ZDUSSCGKSA-N 427.530 3.579 0 40 IHAB CCc1[nH]c(=O)c(C(=O)N2CCC(c3nc4cnccn4c3NC(C)(C)C)CC2)cc1C 19521431 AQDINZKCCNVXPL-UHFFFAOYSA-N 436.560 3.519 0 40 IHAB COc1cccc(CN2CC[C@@](Cc3ccccc3-c3cccnc3)(C(N)=O)C2)c1OC 19567586 DEGFWVBWDIKLCB-SANMLTNESA-N 431.536 3.686 0 40 IHAB CCn1cncc1C(=O)N1CCc2nc(-c3ccncc3)nc(Oc3ccc(F)cc3)c2C1 19578459 ZNJWYKGVORRMNK-UHFFFAOYSA-N 444.470 3.885 0 40 IHAB CN(C)C(=O)[C@]1(Cc2ccccc2-c2ccccc2)CN(C(=O)c2ccccc2)CCO1 19580724 AQSQBQDVCVAVNY-MHZLTWQESA-N 428.532 3.896 0 40 IHAB Cc1nc([C@@H]2CCCN2S(=O)(=O)c2ccccc2)nc2c1CCC(=O)N2CCC(C)C 19740541 QMRGGGSIEPDNPZ-FQEVSTJZSA-N 442.585 3.636 0 40 IHAB CC[C@@H](c1ccc(F)cc1)N(C)C(=O)Cn1cc(C(=O)NC2CCCCC2)ccc1=O 19751721 PIESEQXXOSPKGK-NRFANRHFSA-N 427.520 3.660 0 40 IHAB Cc1nc([C@@H]2CCCCN2C(=O)c2ccncc2)nc2c1CCCN2CCc1ccccn1 19753036 SWIBTZGJDUXQMH-QHCPKHFHSA-N 442.567 3.938 0 40 IHAB COc1ccc(NC(=O)c2cnc(C)nc2CC2CCN(Cc3ccccn3)CC2)cc1 19758975 OFANDMAWUQVJCV-UHFFFAOYSA-N 431.540 3.896 0 40 IHAB O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)Nc1ccc(Br)cc1F 19930577 DBBPCZMWKKCXAB-UHFFFAOYSA-N 441.322 3.600 0 40 IHAB COc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)NC4CC4)cc3c2)cc1C 20447958 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CCCCNc1nc(NCC)nc(Oc2ccc(=O)n(Cc3ccc(Cl)cc3)n2)n1 28286321 FCAPYXVSRRFGLW-UHFFFAOYSA-N 429.912 3.566 0 40 IHAB CCOC(=O)c1ccsc1NC(=O)CN(C)Cc1cc(Br)ccc1OC 28935978 SKHHENOBAOOLOG-UHFFFAOYSA-N 441.347 3.766 0 40 IHAB CCN(CC)c1ccc(C(F)(F)F)cc1NC(=O)CCn1nnc2ccccc2c1=O 32836776 CRWCQECCYIFGCM-UHFFFAOYSA-N 433.434 3.685 0 40 IHAB CCCn1c(=O)n(CC(=O)N[C@@H](c2ccc(Cl)cc2)c2nccn2C)c2ccccc21 32836952 QBICYWHAOHUBMA-NRFANRHFSA-N 437.931 3.506 0 40 IHAB O=C(COC(=O)C1CCN(CC(F)(F)F)CC1)c1ccc(NC(=O)c2ccccc2)cc1 32933318 FCDAYPFINFJCJH-UHFFFAOYSA-N 448.441 3.939 0 40 IHAB Cn1c(SCc2nc(-c3ccccc3Cl)no2)nc2cc3c(cc2c1=O)OCO3 33279696 FYSDVEPUHUJWOH-UHFFFAOYSA-N 428.857 3.658 0 40 IHAB Cc1ccc(S(=O)(=O)Oc2ccc(/C=c3\sc4nc5ccccc5n4c3=O)cc2)cc1 33413627 HRDZDKWWFXYRCL-STZFKDTASA-N 448.525 3.533 0 40 IHAB COc1ccc2c(c1)c([C@H](C(=O)O)N1CCC(Cc3ccccc3)CC1)cn2CC(=O)O 36357878 FHYLDQBNRPHBAU-XMMPIXPASA-N 436.508 3.815 0 40 IHAB O=C(Nc1ccccc1)N1CCN(C(=O)c2ccccc2SC[C@@H]2CCCO2)CC1 40017848 RPBMUVTWPBTKKB-IBGZPJMESA-N 425.554 3.948 0 40 IHAB Cc1cc(NC(=O)/C=C/c2ccc(SC(F)(F)F)cc2)n([C@@H]2CCS(=O)(=O)C2)n1 40062754 ZCXFMUMHGVAHFW-BTKRWWFXSA-N 445.488 3.815 0 40 IHAB CCCn1cnc2nc(COc3ccccc3NC(=O)c3ccc(Cl)cc3)cc(=O)n21 41077123 FJLGDMVFNJXGMQ-UHFFFAOYSA-N 437.887 3.786 0 40 IHAB Cc1oc(-c2cccs2)nc1CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 48288441 GEHQPRFWWUZBTL-GJZGRUSLSA-N 426.542 3.579 0 40 IHAB Cc1ccc(S(=O)(=O)NC[C@H](c2ccco2)N2CCN(c3ccccc3F)CC2)cc1 56946345 VSKOAULWADDVPZ-JOCHJYFZSA-N 443.544 3.569 0 40 IHAB COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)[C@H](C)N1CCN(c2ccccc2)CC1 57058934 XQFGCMNRLFXEOH-HNNXBMFYSA-N 440.931 3.757 0 40 IHAB CCc1cccc(NC(=O)Cn2c(=O)n(CCc3cccs3)c(=O)c3ccccc32)c1 57473270 VRULISBQFRMLEQ-UHFFFAOYSA-N 433.533 3.669 0 40 IHAB Cc1cc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc(Cl)cc3)c2=O)ccc1F 57494493 ZZXCXJHUFLDVMT-UHFFFAOYSA-N 443.887 3.954 0 40 IHAB CC(C)CCNC(=O)C1(C[C@@H]2CC(c3ccccc3)=NO2)CCN(C(=O)C(C)C)CC1 57774193 BMDLMEYMFUJZIX-NRFANRHFSA-N 427.589 3.997 0 40 IHAB 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COc1ncccc1CN1CCC2(CC1)c1ccccc1N(Cc1ccccc1)S2(=O)=O 306123842 AYIAZSHPCOCRSL-UHFFFAOYSA-N 449.576 3.932 0 40 IHAB COC(=O)c1c(NS(=O)(=O)c2ccc(OC)c(Br)c2)sc2c1CCC2 327055220 YROXHKRALXSJJS-UHFFFAOYSA-N 446.344 3.595 0 40 IHAB CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc(Br)c1O 409232237 PHFPILYOSBNKMT-CXUHLZMHSA-N 431.286 3.955 0 40 IHAB CC(=O)N1CCN(Cc2ccc(NC(=O)c3[nH]c(-c4cccc(C)c4)nc3C)cc2)CC1 540801135 JEWVSHKYOFAJAW-UHFFFAOYSA-N 431.540 3.610 0 40 IHAB Cc1nc(SCC(C)C)sc1CC(=O)Nc1ccc([C@@H]2CC(=O)NC(=O)N2)cc1 1585502555 DXKRVGRLQAWBPY-HNNXBMFYSA-N 432.571 3.651 0 40 IHAB CCc1ncc(CN2CCC([C@H](CO)c3cccc(Nc4ncc(C)s4)n3)CC2)cn1 2037834972 NDASQBDEVOIPIT-IBGZPJMESA-N 438.601 3.931 0 40 IHAB COc1ccc(N[C@@H]2CSC3(C2)CN(S(=O)(=O)c2ccc4ncsc4c2)C3)cc1 2056224344 YZHFLVPUVRMQDL-HNNXBMFYSA-N 447.607 3.666 0 40 IHAB CCOc1ccc(-n2nnnc2SCC(=O)Nc2cc(OCC)ccc2OCC)cc1 929975 KLZYQZBGWUUGEC-UHFFFAOYSA-N 443.529 3.589 0 40 IHAB CCOC(=O)c1cc2sc(C)cc2n1CC(=O)NCCc1ccc(OC)c(OC)c1 1338238 QXFGCCXADULIGI-UHFFFAOYSA-N 430.526 3.564 0 40 IHAB CCCCOc1ccc(-c2nc3s/c(=C\C4=Cc5ccccc5OC4)c(=O)n3n2)cc1 2259734 BLVGWRPNTJBBHA-STZFKDTASA-N 431.517 3.972 0 40 IHAB O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)NC[C@@H]1CCCO1 2634122 UNYKGCIMXSGDSN-SFHVURJKSA-N 428.945 3.975 0 40 IHAB NC(=O)c1c(NC(=O)CSc2nnc(NCc3ccccc3)s2)sc2c1CCC2 2661772 VIGBZALKBKGUBM-UHFFFAOYSA-N 445.595 3.530 0 40 IHAB O=C(NC[C@@H]1CCCO1)[C@@H](c1cccnc1)N(C(=O)Cc1cccs1)c1ccccc1 8667186 ASXLGFHXTXKNCW-NZQKXSOJSA-N 435.549 3.755 0 40 IHAB CCOC(=O)C1CCN(C(=O)c2ccccc2NS(=O)(=O)c2cc(C)ccc2C)CC1 8685521 MAESUDHFEBULHP-UHFFFAOYSA-N 444.553 3.520 0 40 IHAB CCCCS(=O)(=O)Nc1ccc2c(c1)c(C(C)=O)c(C)n2S(=O)(=O)CCCC 8715855 BASPORLNTYMRKA-UHFFFAOYSA-N 428.576 3.672 0 40 IHAB Cc1csc2nc(CSc3nnc(CN4CCCC4)n3-c3ccccc3)cc(=O)n12 8720696 YDDYRTPDDXOCNA-UHFFFAOYSA-N 438.582 3.533 0 40 IHAB C[C@@H](NC(=O)CSc1nnc(-c2ccccc2F)n1N)c1ccc2c(c1)CCCC2 8966402 GEHBNWOOELAFIX-CQSZACIVSA-N 425.533 3.646 0 40 IHAB Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-c2ccc(CN3CCCCC3)cc2)cc1 8968874 QEHMRKMCLLJMQD-UHFFFAOYSA-N 442.563 3.989 0 40 IHAB Cc1ccc(N(CC(=O)NCc2ccc(F)cc2)C(=O)CCC(=O)Nc2ccccn2)cc1 8994735 XTLXXOKVOVGXPS-UHFFFAOYSA-N 448.498 3.597 0 40 IHAB CCOc1ccc2nc(NC(=O)[C@@H]3CC(=O)N(c4ccc(OC)cc4OC)C3)sc2c1 9095552 LHEAMGSSEWBYKF-CYBMUJFWSA-N 441.509 3.704 0 40 IHAB CSCC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(C)Cc1cccc(F)c1 9120225 RLIYRAWAQRXEPR-SFHVURJKSA-N 444.981 3.538 0 40 IHAB CCCOc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCO)cc1OCC 9409286 JWIJDPLCZQQBDH-QHCPKHFHSA-N 437.496 3.507 0 40 IHAB COCCn1c(SCC(=O)Nc2cccc(C)c2C)nc2sc3c(c2c1=O)CCC3 9568692 OBRJEBOHCSLWJV-UHFFFAOYSA-N 443.594 3.941 0 40 IHAB CCn1c(CCNC(=O)c2ccc(OC)cc2)nnc1SCC(=O)c1ccc(C)cc1 9582772 XSHFYJQNEWXGQA-UHFFFAOYSA-N 438.553 3.563 0 40 IHAB Cc1nn2c(-c3ccc(S(=O)(=O)N[C@H](C)c4ccccc4)o3)nnc2c2ccccc12 9942707 PANTWCBZCCPNMM-CQSZACIVSA-N 433.493 3.885 0 40 IHAB Cc1ccc(-n2cnnc2SCC(=O)Nc2cc(Cl)ccc2-n2cncn2)c(C)c1 10035345 VIYFPRGAPOQITG-UHFFFAOYSA-N 439.932 3.849 0 40 IHAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O 10338676 FCNUZSRQNDIGMX-QZTJIDSGSA-N 445.585 3.625 0 40 IHAB Cc1cccc(C(=O)N[C@@H](C(=O)Nc2nc3cc4c(cc3s2)OCCO4)C(C)C)c1 11751626 MZKMRYSQHUCJKR-LJQANCHMSA-N 425.510 3.769 0 40 IHAB CCOC(=O)C1=C(COC(=O)c2c(F)cccc2Cl)NC(=O)N[C@H]1c1cccs1 12489175 GHEZFNUFANUGGX-INIZCTEOSA-N 438.864 3.569 0 40 IHAB NC(=O)c1cccc(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(F)(F)F)c1 12522073 MPXOYJVEHWFFFJ-UHFFFAOYSA-N 443.307 3.656 0 40 IHAB CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1 12550986 WEBFCNDHZMJKBE-WMZOPIPTSA-N 440.569 3.660 0 40 IHAB CCS(=O)(=O)N1CCc2cc(C3=NN=C(Nc4cccc(C)c4C)SC3)ccc21 12607117 WZIFPZZJZQYUPE-UHFFFAOYSA-N 428.583 3.935 0 40 IHAB C[C@@H]1CCN(C(=O)Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)c2ccccc2S1 12689495 SFMNJRACYXKPQJ-OAHLLOKOSA-N 449.511 3.639 0 40 IHAB O=C(CSc1nnc(Cc2ccc(Cl)c(Cl)c2)c(O)n1)N1CCCCCC1 12782868 JYILHFABLWKTMA-UHFFFAOYSA-N 427.357 3.970 0 40 IHAB C[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 12911147 XAYKHHHBHUPCBM-NJTIBFSMSA-N 441.575 3.745 0 40 IHAB Cc1nc2sc(C(=O)OCC(=O)Nc3cccc(Cl)c3Cl)c(C)c2c(=O)[nH]1 13040826 XZUUUCJVLJDZAW-UHFFFAOYSA-N 426.281 3.704 0 40 IHAB O=C(COc1ccc2c3c(c(=O)oc2c1)CCCC3)Nc1ccc(CN2CCOCC2)cc1 13607044 VEAJAYXAUNNSRY-UHFFFAOYSA-N 448.519 3.522 0 40 IHAB COC(=O)[C@@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccc(F)cc1)C(C)C 13623444 WEHFFUZRUANQCF-FCHUYYIVSA-N 444.503 3.698 0 40 IHAB COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC(=O)NC2CCCCC2)c(OC)c1 13758837 BCONHDFCOSPNHQ-FTBPSBKWSA-N 430.589 3.821 0 40 IHAB COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(=O)NCc2ccccc2)c(OC)c1 16043064 AVRNXAYFHJFLFS-ZSQFBXSQSA-N 438.568 3.688 0 40 IHAB biogenic CC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)COc2ccc(C(C)C)cc2)cc1 16575935 RFSXPLAVLKVHAO-UHFFFAOYSA-N 444.582 3.535 0 40 IHAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCCOc1ccc(Br)cc1 18100046 ODDHNXGFDHSIOT-UHFFFAOYSA-N 430.302 3.503 0 40 IHAB Cc1ccsc1CN1CCc2nc([C@@H]3CCCN3C(=O)C[C@H]3C=CCC3)[nH]c(=O)c2C1 19238675 PMNWPCUMKYGKHY-PXNSSMCTSA-N 438.597 3.718 0 40 IHAB CCN1CCN(C(=O)c2cc(C(C)C)n[nH]2)C[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O 19527378 OETKVTIXCJVRGM-JOCHJYFZSA-N 445.567 3.758 0 40 IHAB CCOC(=O)[C@@]1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCCN(Cc2cncn2CC)C1 19578619 OHAJZVVXTJCKQX-XUZZJYLKSA-N 442.535 3.771 0 40 IHAB CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@@H]2CCCN(C(=O)CCC3CCCC3)C2)n1 19694555 BYTIBRVVKACVLO-OAQYLSRUSA-N 449.599 3.985 0 40 IHAB Cc1nc([C@H]2CCCN2C(=O)c2cc(C(C)(C)C)n[nH]2)ncc1C(=O)NCc1ccccc1 19755221 JTWULRLOHLVFCE-HXUWFJFHSA-N 446.555 3.713 0 40 IHAB Cc1nc2ccc(C(=O)N3CCC(c4ccc(C(=O)N5CCCC5)c(N)n4)CC3)cc2s1 19765986 RGPJQGRXPWVBMC-UHFFFAOYSA-N 449.580 3.838 0 40 IHAB COC(=O)[C@](NC(=O)c1cccc(C)c1)(Nc1ncc(Cl)cc1Cl)C(F)(F)F 19944563 FSRZTNUNZMICPP-MRXNPFEDSA-N 436.217 3.970 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccc(N2CCCCC2)cc1 20042616 JFNHAJAXSWQVSH-UHFFFAOYSA-N 443.569 3.722 0 40 IHAB CCOCCCNS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 20767318 GVDKGZVBLLXWED-UHFFFAOYSA-N 436.961 3.638 0 40 IHAB COc1cc(CC(=O)O[C@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)cc(OC)c1OC 21173364 FAZCDGJVJQSDRC-OAHLLOKOSA-N 443.496 3.664 0 40 IHAB Cc1nc2sc([C@H](c3ccccc3F)N3CCN(Cc4ccccc4)CC3)c(O)n2n1 22627035 WGWYNHCBQNMISZ-FQEVSTJZSA-N 437.544 3.851 0 40 IHAB COc1cc(-c2cc(C(=O)OCc3nc(C)no3)c3ccccc3n2)cc(OC)c1OC 22892363 WXWRGSYGKUCPRM-UHFFFAOYSA-N 435.436 3.976 0 40 IHAB C[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)/C=C/c1ccc(C(N)=O)cc1)OCCO3 24749226 DWMJAKDZAHTGKX-NADMHLTPSA-N 432.520 3.985 0 40 IHAB O=C1CCCN1c1ccc(OCC(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)cc1 25320950 PVRJFMTVBUQICF-UHFFFAOYSA-N 436.508 3.892 0 40 IHAB CN(Cc1nc(-c2cccs2)no1)C(=O)c1ccccc1I 28188475 JWHOXRREZSRDFY-UHFFFAOYSA-N 425.251 3.675 0 40 IHAB Cc1cccc(CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)c1 30861725 FKLVWBYCPSECJK-XMMPIXPASA-N 442.625 3.718 0 40 IHAB CC(=O)c1ccc(NC(=O)CSc2nc3ncccc3c(=O)n2-c2ccccc2)cc1 32876539 MDOVGIXJXSYGIW-UHFFFAOYSA-N 430.489 3.714 0 40 IHAB Cc1ccc(C)c(N2CCN([C@H](c3ccccc3)c3nnnn3Cc3ccco3)CC2)c1 35290616 CDJKHRNHYLWOOW-XMMPIXPASA-N 428.540 3.843 0 40 IHAB CC1=C[C@@H](CNC(=O)c2cnccn2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccncc2)o1 35442791 XELFNLLGDBGKIE-UFYCRDLUSA-N 432.528 3.749 0 40 IHAB biogenic,in-vitro COc1cc([C@@H]2CC(=O)N=C3NC=NN32)cc(Br)c1OCc1ccc(C)cc1 38261727 OAHYDNGGKBWSQC-INIZCTEOSA-N 443.301 3.521 0 40 IHAB O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)N1CCN(c2ccc(Cl)cc2)CC1 38479456 DNMHGOBRKIVUNH-UHFFFAOYSA-N 443.334 3.566 0 40 IHAB Cc1ccc(C)c(N2CCN(S(=O)(=O)c3ccsc3C(=O)NC3CCCC3)CC2)c1 38655125 NUSNKGLFLPJJJA-UHFFFAOYSA-N 447.626 3.548 0 40 IHAB O=C(NCCNc1ncc(Cl)cc1Cl)c1nc(N2CCCCC2)ncc1Cl 40154657 CNOROQRDRSFEBI-UHFFFAOYSA-N 429.739 3.664 0 40 IHAB O=C(Nc1ccc(F)cc1)N1CCC(CNC(=O)C2(c3ccccc3)CCOCC2)CC1 44005803 ZNRAZKFWDUEGPF-UHFFFAOYSA-N 439.531 3.934 0 40 IHAB CCOc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2OC)cc1 44904002 HFSDEFBGFDZOMD-QGZVFWFLSA-N 446.569 3.760 0 40 IHAB O=C(CC1CCCCC1)NC1CCN(C(=O)c2cn(-c3ccc(Cl)cc3)nn2)CC1 49406209 ACEHFCMXLHYOEF-UHFFFAOYSA-N 429.952 3.612 0 40 IHAB COc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)cc(OC)c1 61894633 XVJMYWRSNSCNSF-UHFFFAOYSA-N 426.494 3.781 0 40 IHAB COc1ccccc1CNC(=O)CC/C(C)=C/Cc1c(O)c2c(c(C)c1OC)COC2=O 62001698 ZSZOBPJFSPBONE-OQLLNIDSSA-N 439.508 3.974 0 40 IHAB biogenic O=C(CCn1ccn2nc(-c3ccc(F)cc3)cc2c1=O)NCc1ccc(F)cc1Cl 67261114 IITOORLNXUMEEJ-UHFFFAOYSA-N 442.853 3.801 0 40 IHAB O=C(CCn1ccnc1)Nc1cccc(C(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)c1 71824312 KAKGVDSCROLGRD-QHCPKHFHSA-N 432.524 3.733 0 40 IHAB O=C(NCc1cccc(OCc2ccccc2)c1)C(=O)Nc1ccnn1Cc1cccs1 72309185 DAAMIWJWWFHCSE-UHFFFAOYSA-N 446.532 3.827 0 40 IHAB CC(C)NC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(C(=O)[C@H]2CCCO2)CC1 72345170 UDCDLOLBSUCGFH-HSZRJFAPSA-N 435.568 3.604 0 40 IHAB COc1ccc(C2(C(=O)N3CCC(C(=O)c4cnn5c(C)cc(C)nc45)CC3)CC2)cc1 72373207 NWMGSNLAXLMRRC-UHFFFAOYSA-N 432.524 3.508 0 40 IHAB CC[C@H](Oc1cccc(OC)c1)C(=O)N1CCC[C@@H](c2cc(C(F)F)n3ncnc3n2)C1 72395345 DRWNMDAJUDDHAY-KUHUBIRLSA-N 445.470 3.634 0 40 IHAB Cc1nc2sc(C(=O)NCCn3ccc4cc(Br)ccc43)c(C)c2c(=O)[nH]1 72402639 CFUXSSXUDQIGJQ-UHFFFAOYSA-N 445.342 3.749 0 40 IHAB CC1(C)Cc2cccc(OCC(=O)NCc3nn(C4CCCC4)c(=O)c4ccccc34)c2O1 90504258 ALPKISNIUSPWJE-UHFFFAOYSA-N 447.535 3.920 0 40 IHAB Cc1nc2c3ccc(Br)cc3nn2c(C)c1CC(=O)N[C@@H]1CCOC(C)(C)C1 95480603 LGNGWSXHQOBCKW-OAHLLOKOSA-N 445.361 3.878 0 40 IHAB O=C(NCCc1ccccn1)c1cc(-c2csc(-c3cnccn3)n2)n2ccccc12 96154852 KALKVVYEDHKVHY-UHFFFAOYSA-N 426.505 3.887 0 40 IHAB COc1ccc([C@@H]2c3c(cc(C)oc3=O)O[C@H]2C(=O)Nc2ccc(Cl)cc2)cc1O 96336018 ZALLGLVRKPITCR-UYAOXDASSA-N 427.840 3.847 0 40 IHAB O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC(c2nnc(C(F)(F)F)o2)CC1 96340608 VIDXVOXUATZBAM-UHFFFAOYSA-N 429.342 3.676 0 40 IHAB CCn1c(SCC(=O)Nc2ccccc2OC)nnc1[C@@H](C)NC(=O)c1ccccc1 101164472 MEEINRDNVATDFD-OAHLLOKOSA-N 439.541 3.528 0 40 IHAB COc1ccc(-c2noc(CN(C)C(=O)COc3cccc4ccccc34)n2)c(OC)c1 218916601 YCKPKRPOIFVQAW-UHFFFAOYSA-N 433.464 3.944 0 40 IHAB CC[C@H](C(=O)NCCCc1ccc(OC)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 219120619 GVDMKAPNPQGMHT-JOCHJYFZSA-N 432.586 3.606 0 40 IHAB Cc1cc(S(=O)(=O)NCCCc2cccc(OC(C)C)c2)ccc1N1CCCC1=O 219223229 CVLFCNRGZZIDHP-UHFFFAOYSA-N 430.570 3.820 0 40 IHAB CC[C@H](C(=O)Nc1cc(C)ccc1OC)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 220757434 PTKFZRPSNHFJRO-MRXNPFEDSA-N 440.949 3.849 0 40 IHAB CN(c1ccc(Cl)c(C(=O)NCCOc2ccc3ccccc3c2)c1)S(C)(=O)=O 223637333 DBIHVGYISLZFIP-UHFFFAOYSA-N 432.929 3.698 0 40 IHAB CS(=O)(=O)N(CC(=O)NCCc1ccc(Cl)cc1)c1cc(Cl)cc(Cl)c1 223663299 YMYWOGIAUXAGDI-UHFFFAOYSA-N 435.760 3.772 0 40 IHAB CN(Cc1nc(-c2ccccc2)no1)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1 223931236 YJRMPEGFYHUNKQ-UHFFFAOYSA-N 448.504 3.810 0 40 IHAB CC[C@@H](C(=O)NCCOc1ccc(C)c(C)c1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 224313849 PMXLJTYJKZDVFL-QFIPXVFZSA-N 432.586 3.660 0 40 IHAB CCSc1nnc(NC(=O)[C@H](CC)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)s1 224874889 MLIQIUCCZWCYCC-ZDUSSCGKSA-N 449.023 3.795 0 40 IHAB C[C@H](C(=O)NCCSC1CCCC1)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 225283025 QKOXZHYJHMBZNK-GFCCVEGCSA-N 439.430 3.940 0 40 IHAB CC(C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C(C)C 225707376 BFILQGRWBTZWKD-UHFFFAOYSA-N 433.555 3.583 0 40 IHAB Cc1ccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]45)[C@H]3C2=O)C(=O)C(F)(F)F)cc1Cl 226400837 BTNBWUOESNLRPD-QYPXNLQLSA-N 438.833 3.554 0 40 IHAB Cc1cc(NC(=O)CC(=O)Nc2cc(C)c(Br)cn2)ncc1Br 226864685 DRPDIKGJCDJUOR-UHFFFAOYSA-N 442.111 3.586 0 40 IHAB CCCNC(=O)CCc1c(C)nc2cc([C@H]3CCCCN3Cc3ccncc3)nn2c1C 257211410 BYTWOTQYLPPPII-HSZRJFAPSA-N 434.588 3.927 0 40 IHAB c1ccc(COc2cccc(CN3CCOC[C@@H](Cc4ccc5nccn5n4)C3)c2)cc1 257244724 IMNIPIPEXRZPDM-QHCPKHFHSA-N 428.536 3.999 0 40 IHAB CN(C)C(=O)C1(Cc2cccc(-c3ccncc3)c2)CCN(C(=O)c2cccnc2)CC1 257268789 MNFLISOQLPDAKI-UHFFFAOYSA-N 428.536 3.697 0 40 IHAB Cc1nc2cc([C@H]3CCN(Cc4ccncc4)C3)nn2c(C)c1CCC(=O)NC(C)(C)C 257290170 QBWIQBMLJFXCPC-FQEVSTJZSA-N 434.588 3.578 0 40 IHAB Cc1ccc(Oc2ncccc2C(=O)N2CCOC[C@H](Cc3cccc4[nH]ncc34)C2)cn1 257318634 VOULZBHMXWOOPC-GOSISDBHSA-N 443.507 3.785 0 40 IHAB C[C@]1(O)CCN(CC(=O)Nc2ccc(C(F)(F)F)cc2)C[C@@H]1Oc1cccc(F)c1 257343639 ZTVKVTKGOUQIKS-ICSRJNTNSA-N 426.410 3.687 0 40 IHAB Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4C3=O)c2)c(C)c1 408651949 BVLLWORWEQMFKU-DODAUVCRSA-N 446.503 3.634 0 40 IHAB COc1ccc(OC)c(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Cl)cc2)c1 408668468 UAJBCOZATNSPAG-UHFFFAOYSA-N 434.876 3.648 0 40 IHAB CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1cc2ccccc2o1 575621600 PXWWHZKCSDYTMO-INIZCTEOSA-N 435.402 3.689 0 40 IHAB CC(C)n1cnc([C@H]2CN(C(=O)c3cccs3)C[C@@]23CCCN(CC2CC2)C3=O)c1 585107450 WDNNSCQNRPCLLH-JPYJTQIMSA-N 426.586 3.784 0 40 IHAB Cc1cccc(C)c1OCC(=O)N1CCC2(CC1)CO[C@@H]([C@@]1(C)CC[C@H](C(C)(C)O)O1)C2 585263541 APVWFGINKLGFON-DNRQZRRGSA-N 445.600 3.789 0 40 IHAB O=S(=O)(NCc1cccc(-c2n[nH]cc2-c2ccncc2)c1)c1ccc(F)c(F)c1 1848351722 LFVGTPJQQZLLDL-UHFFFAOYSA-N 426.448 3.895 0 40 IHAB CCCCCC(=O)N1CCC(COc2ccc(F)cc2)(CC(=O)N2CCOCC2)CC1 2037905362 PEKXUUIIONCSAP-UHFFFAOYSA-N 434.552 3.643 0 40 IHAB COc1ccccc1CN/C(C)=C1\C(=O)NC(=O)N(c2cc(Cl)ccc2Cl)C1=O 1407358 XVHQPBXHDHOFOI-GZTJUZNOSA-N 434.279 3.649 0 40 IHAB O=C(O)[C@@H]1CCCC[C@H]1C(=O)N1CCN(c2nc(-c3ccccc3)c3ccccc3n2)CC1 1471103 OKRPGRKUIHZNFX-WOJBJXKFSA-N 444.535 3.836 0 40 IHAB CCOC(=O)CSc1nc(NCCc2ccc(OC)c(OC)c2)c2ccccc2n1 2948762 FHKUNPPIIQVPBA-UHFFFAOYSA-N 427.526 3.957 0 40 IHAB O=C(CSc1nc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2o1)NC1CC1 3258467 WTEWSUOKVZGDOH-UHFFFAOYSA-N 437.930 3.653 0 40 IHAB COc1cc(/C=C2/N=C(c3cc(OC)c(OC)c(OC)c3)OC2=O)ccc1OC(F)F 3323323 VIOVWORNBQBLQH-NTUHNPAUSA-N 435.379 3.667 0 40 IHAB COc1cc(OC)c(C(=O)O[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC 3351937 DIKNNCDERCEXEP-LLVKDONJSA-N 427.375 3.915 0 40 IHAB O=C(OCC(=O)N1CCc2ccccc2C1)c1ccccc1OCCOc1ccccc1 3478081 LKNYZCKCCMBSCJ-UHFFFAOYSA-N 431.488 3.886 0 40 IHAB CCc1cccc(N(C(=O)c2csnn2)[C@H](C(=O)NC2CCCC2)c2cccnc2)c1 6284348 DFOQEDMIKUPMJV-NRFANRHFSA-N 435.553 3.942 0 40 IHAB COc1ccc(OC)c(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccc(SC)cc2)c1 6461716 OXYKEZJWTBDEED-HXUWFJFHSA-N 437.525 3.945 0 40 IHAB CC[C@H]1CCCCN1C(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1CCCN(C)C 8132739 ZCHTUOKCIUXQGL-MSOLQXFVSA-N 430.618 3.620 0 40 IHAB COc1ccc(-c2nn(-c3ccccc3)cc2CN2C[C@H](C(N)=O)Oc3ccccc32)cc1 8728575 JGUPOOWJJQRESU-XMMPIXPASA-N 440.503 3.801 0 40 IHAB COc1ccc(N2C[C@H](C(=O)Nc3nnc(SCc4ccccc4)s3)CC2=O)cc1 8908251 UDPWESIHGRTCEF-OAHLLOKOSA-N 440.550 3.831 0 40 IHAB COc1ccc(N(CC(=O)NCc2ccccc2C)S(=O)(=O)c2ccc(F)cc2)cc1 8918804 GKNGREVZLQVEFB-UHFFFAOYSA-N 442.512 3.654 0 40 IHAB COc1ccc(C(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1 8982847 LPSPOBIJRAVDBD-UHFFFAOYSA-N 438.343 3.741 0 40 IHAB Cc1cc(C)cc(N(CC(=O)NCc2ccccc2)C(=O)CCC(=O)Nc2ccccn2)c1 8994701 NQQABZGOPHHXJQ-UHFFFAOYSA-N 444.535 3.767 0 40 IHAB O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(N2C(=O)c3ccccc3C2=O)c1 9120373 FBBQHMOWIKZPJC-UHFFFAOYSA-N 439.515 3.882 0 40 IHAB O=C(/C=C/c1ccco1)N(Cc1ccc(-c2ccc(F)cc2)o1)[C@@H]1CCS(=O)(=O)C1 9130382 QMELRZNUGPWMLJ-XSFOEPMVSA-N 429.469 3.908 0 40 IHAB CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(Cl)c3F)CC2)cc1 9222721 WNMBLYDEOFDEOU-UHFFFAOYSA-N 438.908 3.721 0 40 IHAB CCc1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@H](C(=O)Nc1ccccc1OC)S2 9239269 RUXIBTQKNSMWBW-ZWKOTPCHSA-N 429.933 3.900 0 40 IHAB O=C(CSc1nnnn1Cc1ccccc1)Nc1ccc2c(c1)OC1(CCCCC1)O2 9257814 TWJSJGIQYNETEF-UHFFFAOYSA-N 437.525 3.884 0 40 IHAB CCOc1cc2c(cc1CNC(=O)NCC(=O)Nc1c(C)cc(C)cc1C)O[C@@H](C)C2 9502313 HIYDUSQJGJKEHO-KRWDZBQOSA-N 425.529 3.772 0 40 IHAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)Nc2cccc3ccccc23)c1 9585908 DWDDBOGDOGSWML-UHFFFAOYSA-N 446.912 3.539 0 40 IHAB CC(=O)c1sc(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)nc1C 9633370 VPDSCNIQIPQSCQ-UHFFFAOYSA-N 429.523 3.732 0 40 IHAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)N[C@@H](C)c3ccccc3)Oc3ccccc32)cc1 9699488 DUBOTSJVRWTKIM-MBSDFSHPSA-N 436.533 3.829 0 40 IHAB COc1ccc(OC)c(NC(=O)CSc2nnc(-c3ccccc3)n2-n2cccc2)c1 9737764 WQURKCYIZWJMRK-UHFFFAOYSA-N 435.509 3.806 0 40 IHAB O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 10039842 LXWRCKWEMDDGHU-WUXMJOGZSA-N 428.510 3.632 0 40 IHAB COc1ccc(CN(C)C(=O)CSc2nnc(-c3ccc(C)cc3)n2C)cc1OC 10264438 PQTXTGBASDWKTM-UHFFFAOYSA-N 426.542 3.558 0 40 IHAB COc1ccc(S(N)(=O)=O)cc1C(=O)OCc1csc(-c2ccc(C(C)C)cc2)n1 10456090 BMULWCQMULXHOM-UHFFFAOYSA-N 446.550 3.947 0 40 IHAB CCc1nnsc1C(=O)N1CCC[C@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](CC)N2 12181392 RCPQVRVEUJWCCS-DDTOSNHZSA-N 428.484 3.972 0 40 IHAB O=C(CCc1ncc(-c2ccc(F)cc2F)o1)OCCCn1c(=O)[nH]c2ccccc21 12270407 DFLGSHNDWXQCSE-UHFFFAOYSA-N 427.407 3.829 0 40 IHAB C[C@H](NC(=O)c1ccc2noc(-c3ccccc3)c2c1)C(=O)Nc1ccc2c(c1)OCO2 12321853 DGHYOQPVZJOFRG-AWEZNQCLSA-N 429.432 3.981 0 40 IHAB COc1ccc(CN(C(=O)c2csnn2)[C@@H](C(=O)NC(C)(C)C)c2ccccc2)cc1 12638190 IMMSGSYAHKUECW-HXUWFJFHSA-N 438.553 3.845 0 40 IHAB O=C(CSc1nnc(-c2ccccc2F)n1CCc1ccccc1)NC[C@H]1CCCO1 12743718 NTWFDMVXBKILCR-GOSISDBHSA-N 440.544 3.714 0 40 IHAB COc1ccc([C@@H]2CCCCCN2Cc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 12751020 GWMZYLIVAVXMJO-DEOSSOPVSA-N 444.597 3.833 0 40 IHAB Cc1ccc(C(C)C)c(OCC(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)c1 12800073 FMWNMVHFQWGGAR-GOSISDBHSA-N 437.540 3.720 0 40 IHAB O=C(NC1CCCC1)[C@H](c1ccncc1)N(Cc1ccccc1F)C(=O)c1csnn1 12871844 GNVRHVKBTQJLLT-FQEVSTJZSA-N 439.516 3.515 0 40 IHAB Cc1ccc2[nH]c(=O)c(CN(Cc3cccs3)Cc3nnnn3Cc3ccco3)cc2c1 13065617 XJMQHZPUWOTATL-UHFFFAOYSA-N 446.536 3.728 0 40 IHAB O=C(COC(=O)C(O)(c1ccccc1)c1ccccc1)N1CCC(Cc2ccccc2)CC1 13129896 HQVLXTNSXKLYKT-UHFFFAOYSA-N 443.543 3.947 0 40 IHAB Cc1cc(C(F)(F)F)n2nc([C@H]3CCCN(C(=O)COc4ccccc4F)C3)cc2n1 13225529 NXWZWZARXJGKRV-AWEZNQCLSA-N 436.409 3.981 0 40 IHAB CC[C@@H](CO)NC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12 13441196 GKJWXEORYGBJFS-KRWDZBQOSA-N 428.916 3.730 0 40 IHAB in-vivo CCCOc1ccc(/C=c2\sc3nc(-c4ccccc4Br)nn3c2=O)cc1 13514654 NGQIWOQSIPCXNH-ATVHPVEESA-N 442.338 3.917 0 40 IHAB O=C([C@H]1CN(C(=O)[C@H]2COc3ccc(Cl)cc3C2)c2ccccc2O1)N1CCCCC1 13986190 AZBRIOPJCGDHHK-VGOFRKELSA-N 440.927 3.698 0 40 IHAB Cc1ccc(CNC(=O)C2CCN(C(=O)CSc3ncnc4ccccc34)CC2)cc1 14199118 ZMXNVLDQPXFGSK-UHFFFAOYSA-N 434.565 3.585 0 40 IHAB Cc1ccc2c(c1)c1c3n2CCN(S(=O)(=O)c2ccc4sc(=O)[nH]c4c2)[C@@H]3CCC1 15083488 ZTLPUYUNDYXFCS-LJQANCHMSA-N 439.562 3.935 0 40 IHAB CCOC(=O)[C@@H](OC(=O)c1cccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1)c1ccccc1 15321276 QGBSTFRTQTXPJH-ACRUOGEOSA-N 435.476 3.827 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)NCc2ccccc2Cl)cc1 15391223 JHTYDYNQLTWJHQ-KRWDZBQOSA-N 436.961 3.598 0 40 IHAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(Br)cccc3s2)cc1 16913818 DHNLVDMRLYJCNF-UHFFFAOYSA-N 440.344 3.561 0 40 IHAB Cc1ccc(O[C@H](C)C(=O)N2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)c(C)c1 19132701 HISOERSCNDITRL-VSZNYVQBSA-N 433.503 3.591 0 40 IHAB CNc1cc([C@@H]2CCCN(C(=O)Cc3ccc(OC)c(OC)c3)C2)nc(-c2cccnc2)n1 19592167 WWSNPKIKWXSYTG-LJQANCHMSA-N 447.539 3.546 0 40 IHAB COc1c(Cl)cc(C(=O)NC(=S)Nc2ccccc2N2CCOCC2)cc1Cl 19631301 FILGDYXDYWHTAO-UHFFFAOYSA-N 440.352 3.965 0 40 IHAB CNc1cc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(C2CCN(C(=O)C(C)C)CC2)n1 19697324 UDVUCXYNWGRCJV-KRWDZBQOSA-N 439.535 3.540 0 40 IHAB Cc1nc(C2CCN(C(=O)COc3ccccc3)CC2)nc2c1CCC(=O)N2C1CCCC1 19740121 WNZGERSKJOKOFH-UHFFFAOYSA-N 448.567 3.792 0 40 IHAB O=C(Cn1cccc(C(=O)Nc2ccc(F)cc2)c1=O)NC1(c2ccccc2)CCCC1 19749937 MEWJETXOWIOLDD-UHFFFAOYSA-N 433.483 3.825 0 40 IHAB CNC(=O)c1cc([C@H]2CN(Cc3ccc4cccc(OC)c4n3)CCO2)nc2ccccc12 19759607 NLFTYRKDAQUKBF-XMMPIXPASA-N 442.519 3.725 0 40 IHAB CCc1ccc([C@H](CC(=O)N2CCN(Cc3ccccc3)CC2)NC(=O)C(F)(F)F)cc1 20386753 DKVBAMVFHBDDDT-NRFANRHFSA-N 447.501 3.703 0 40 IHAB CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)COc1cccc2ccccc12 21177902 GFLMHAFEOPRNSV-UHFFFAOYSA-N 440.883 3.512 0 40 IHAB COc1cn(-c2ccccc2)nc1C(=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 21533162 CIUKALGUSPRMSM-UHFFFAOYSA-N 445.445 3.647 0 40 IHAB COC(=O)c1c(C)[nH]c(C(=O)CSc2nc(-c3ccccc3Br)n[nH]2)c1C 22126757 UUOZFPYBEJHSOA-UHFFFAOYSA-N 449.330 3.941 0 40 IHAB CCOc1ccc(Br)cc1S(=O)(=O)N(CCOC)Cc1cccs1 22197358 GTMCAWDTYMRXFR-UHFFFAOYSA-N 434.377 3.747 0 40 IHAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3)c12 22227283 YBNCUIAEQGJDQO-UHFFFAOYSA-N 440.551 3.948 0 40 IHAB CN(c1ccc(OCC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1)S(C)(=O)=O 22230607 CQLWSDQARODOPE-UHFFFAOYSA-N 440.521 3.679 0 40 IHAB Cc1ccccc1OC[C@H](C)NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 22279361 BSLWQZJLEDINSQ-FQEVSTJZSA-N 438.549 3.774 0 40 IHAB Cc1ccc(-n2ncc(C(=O)N3CCN(c4ccccn4)CC3)c2-n2cccc2)cc1C 22518803 TUVVAFGKMYVDGE-UHFFFAOYSA-N 426.524 3.637 0 40 IHAB COc1ccc2nc(N(CCN3CCOCC3)C(=O)/C=C/c3cccs3)sc2c1 22998440 STBAWBDEBODSTJ-FNORWQNLSA-N 429.567 3.745 0 40 IHAB CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3snnc3CC)ccc2C)cc1 24400394 SNSNVUNXXCNONA-UHFFFAOYSA-N 446.554 3.861 0 40 IHAB CCOc1ccc(C(=O)N[C@@H](C(=O)NCc2ccc(NC(=O)C3CC3)cc2)C(C)C)cc1 25849034 AKQNXZVQDUVFBZ-JOCHJYFZSA-N 437.540 3.505 0 40 IHAB O=C(Nc1ccccc1C(=O)NC1CC1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 26990899 OMWCATZHTFSCFD-UHFFFAOYSA-N 435.505 3.632 0 40 IHAB CCCN(CC(=O)N1CCN(c2cccc(C)c2)CC1)Cc1nnc(-c2cccs2)o1 28970352 HEOUSIGKXOAEHI-UHFFFAOYSA-N 439.585 3.667 0 40 IHAB Cc1nc(-c2ccccn2)sc1C(=O)N1CCN(C(=O)Nc2ccc(F)cc2)CC1 30256617 LFFXIDLZVLTKDH-UHFFFAOYSA-N 425.489 3.643 0 40 IHAB CCOc1ccccc1N(CC(=O)N[C@@H](CC(C)C)c1ccc(OC)cc1)S(C)(=O)=O 30862210 JYXXHOKUJVRBMP-FQEVSTJZSA-N 448.585 3.764 0 40 IHAB CC[C@@]1(C)c2sc(=O)[nH]c2S[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]21 32594640 ZAKUGGPVOJYUBM-VGTOOOLASA-N 428.457 3.787 0 40 IHAB CC(=O)N[C@@H](CC(=O)OCC(=O)Nc1ccc(OC(F)F)cc1)c1ccccc1Cl 32922361 LMXLNLFYCFWRJZ-KRWDZBQOSA-N 440.830 3.691 0 40 IHAB O=S(=O)(CCCc1ccccc1)NC[C@H](c1ccccc1)S(=O)(=O)c1cccs1 33326475 SJAFLSQKFZIETP-HXUWFJFHSA-N 449.619 3.815 0 40 IHAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)[C@H]3COc4ccccc4C3)cc2)C1 34887468 SQIFQHSNJXFXQG-ZHALLVOQSA-N 428.554 3.543 0 40 IHAB O=C(NC1CCCC1)[C@@H]1N(CCc2ccccc2)C(=O)[C@H]2[C@@H](c3ccccc3)[C@H]3C=C[C@]21O3 35311180 VXXBXHDZSRRRIA-RJKIJDSESA-N 442.559 3.606 0 40 IHAB NC(=O)CSc1ccccc1NC(=O)CN1CCc2sccc2[C@@H]1c1cccs1 35349167 LZQXPZRORUVDLV-OAQYLSRUSA-N 443.619 3.973 0 40 IHAB CCOC(=O)[C@H]1CCCN([C@H](c2ccc(C)cc2)c2sc3nc(CC)nn3c2O)C1 36370444 BSKKTIHAIIMXPA-FUHWJXTLSA-N 428.558 3.732 0 40 IHAB COc1ccc([C@@H]2CC(O)=Nc3c2c(C)nn3-c2ccc3nnc(C)n3n2)cc1OC(C)C 40283933 VLPRUMGZGNFNLH-INIZCTEOSA-N 447.499 3.846 0 40 IHAB CC(C)c1ccc(CCNC(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)cc1 44850539 YAYPIGGOGQKWRH-UHFFFAOYSA-N 446.588 3.850 0 40 IHAB O=C(CCN1CCC[C@@H]1c1ccsc1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 48248801 RHZJABRYROQGAM-HXUWFJFHSA-N 433.599 3.698 0 40 IHAB CCn1c(CC(=O)Nc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(F)cc1F 48512790 LOUFHFARXBOKHB-UHFFFAOYSA-N 445.495 3.797 0 40 IHAB CN1CCN(c2ccc(C(F)(F)F)cc2NC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC1 58158810 NAGQDLNGZSWQAK-RBUKOAKNSA-N 426.483 3.633 0 40 IHAB Cc1ccc(-n2cnnc2SCC(=O)NCC(C)(C)N2C[C@H](C)C[C@@H](C)C2)cc1C 58196845 BWUUPWICYFJYOE-IAGOWNOFSA-N 429.634 3.849 0 40 IHAB CC(=O)Nc1cccc(-c2nccnc2[C@H]2CCCN(C(=O)COc3ccccc3)C2)c1 72358678 MTEIVMLUQGXMIJ-FQEVSTJZSA-N 430.508 3.887 0 40 IHAB O=C(CCc1nc2ccccc2[nH]1)N1CC[C@@H](c2cc(CCOc3ccc(F)cc3)[nH]n2)C1 72371580 WMFPJWDZBHIXFX-QGZVFWFLSA-N 447.514 3.995 0 40 IHAB CNc1cc(Nc2nccc([C@@H]3CCCN(Cc4ccc5ncccc5c4)C3)n2)ncn1 72377990 DUZJLENHACXCGT-LJQANCHMSA-N 426.528 3.980 0 40 IHAB C[C@@H]1Cc2cc(CN3CCNC(=O)[C@H](Cc4ccc(-c5ccncc5)cc4)C3)ccc2O1 72388971 MFOUOGIBOBVVPZ-KBMIEXCESA-N 427.548 3.863 0 40 IHAB Cc1[nH]c(C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2=O)c(C)c1C(=O)OC(C)C 78875138 CAVDHDPCRNXQOA-MRXNPFEDSA-N 431.920 3.776 0 40 IHAB Cc1ccc(C)c(OCCCCC(=O)N2CCN3C(=O)N(c4ccccc4)C(=O)[C@@H]3C2)c1 96008719 XFMAVSGPSSESAK-NRFANRHFSA-N 435.524 3.532 0 40 IHAB O=C(NCCc1cccs1)c1ccc2ccc(N3CCN(Cc4cccnc4)CC3)n2c1 96155945 UZARHRPMLPHZBT-UHFFFAOYSA-N 445.592 3.691 0 40 IHAB O=C(NC1CCCC1)N1CC[C@]2(C1)c1ccccc1S(=O)(=O)N2Cc1ccc(F)cc1 96261952 QVUIRUSCFSDTBA-QHCPKHFHSA-N 443.544 3.583 0 40 IHAB CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)/C=C\c1cccc(Cl)c1 97986345 CCWWZTCPWIKXSM-HJWRWDBZSA-N 427.888 3.656 0 40 IHAB C[C@H]1CC[C@@H]2N(C1)C[C@@H]1[C@@H]3C[C@H]4[C@@H](CC(=O)[C@H]5C[C@@H](O)CC[C@@]54C)[C@@H]3CC[C@H]1[C@]2(C)O 100473464 IQDIERHFZVCNRZ-IAPAPKABSA-N 429.645 3.886 0 40 IHAB biogenic COc1ccc2[nH]c3c(c2c1)CCN([C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1=O)C3 101449107 WCEUJLYEPYEUSC-FQEVSTJZSA-N 427.863 3.659 0 40 IHAB biogenic C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1)c1ccc(F)cc1 113971890 WQGGUJIVLRNUAB-YJBOKZPZSA-N 438.952 3.898 0 40 IHAB C[C@@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)N(c1ccccc1F)S(C)(=O)=O 220316191 ZAAUMSFHWSFWLN-INIZCTEOSA-N 440.496 3.850 0 40 IHAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1cc(N(C)S(C)(=O)=O)ccc1Cl 222495584 QBDFVCKSWFQMEC-CYBMUJFWSA-N 437.949 3.516 0 40 IHAB CCOc1ccccc1CCCNC(=O)c1ccc(C)c(N2CCCCS2(=O)=O)c1 222572296 DHLPFALFPQGOPA-UHFFFAOYSA-N 430.570 3.686 0 40 IHAB COc1cccc(-c2noc(CNC(=O)[C@H]3CCCN(Cc4ccccc4Cl)C3)n2)c1 222595865 MXWWWXSDJQHWHU-SFHVURJKSA-N 440.931 3.927 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)[C@H]1COc2ccccc2O1 224542186 UMJPMJJOLKFJQB-HXUWFJFHSA-N 444.896 3.919 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=S)N[C@H](C)CCc1ccccc1 225210859 KTEMEDGNPZCFCR-QGZVFWFLSA-N 447.626 3.787 0 40 IHAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(OC)cc1 225591525 ZYYYOUMFDRIGIX-VWLOTQADSA-N 430.548 3.932 0 40 IHAB CC[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(SC)cc1)c1ccc(OC)c(C)c1 225856655 RVZROYVPBYGRKI-LJQANCHMSA-N 436.599 3.614 0 40 IHAB Cc1cccc(C)c1N1C[C@@H]2C[C@@]2(C(=O)Nc2ccc(OC(F)(F)F)cc2)S1(=O)=O 225939573 XGEFCMPLDYAONQ-IFXJQAMLSA-N 440.443 3.749 0 40 IHAB COc1ccccc1-c1cc(C(=O)N2CC[C@@H](Oc3ncccc3Br)C2)[nH]n1 238810692 AFNSBQYEQWRGAX-CYBMUJFWSA-N 443.301 3.536 0 40 IHAB CC(C)NC(=O)c1cc([C@H]2CC[C@H](CNC(=O)Cn3cccn3)CC2)nc2ccccc12 257202488 AMCLPMUQCMGWJH-WGSAOQKQSA-N 433.556 3.660 0 40 IHAB CCOc1ccc(COC)cc1CN1CCO[C@H](c2cccc(Nc3ncccn3)n2)C1 257315913 VDFZSPLQLYHMHT-QFIPXVFZSA-N 435.528 3.734 0 40 IHAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 260845615 VBELRUKPWBDNHZ-OXJNMPFZSA-N 446.569 3.577 0 40 IHAB COC(=O)N1Cc2nnc(-c3cccs3)n2C2(CCN(Cc3cccs3)CC2)C1 306130870 JROJDCZOYLKXQG-UHFFFAOYSA-N 429.571 3.641 0 40 IHAB Cc1cccc(CN2C[C@@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccsc2)C3=O)c1 306137107 QLOMMCQCVOCDBE-ZCYQVOJMSA-N 433.577 3.849 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccc(Br)cc2F)cc1C(=O)N1CCCC1 408611536 XJFDEPQLLMEQQF-UHFFFAOYSA-N 441.322 3.933 0 40 IHAB O=C(COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)NC1CCCCC1 409391316 MYDLCRPFCZYWMQ-UHFFFAOYSA-N 428.554 3.656 0 40 IHAB COc1cc([C@H](CC(=O)NCCC2=CCCCC2)c2oc(C)cc(=O)c2O)ccc1O 524729716 GGQSWJGCEZKDKF-SFHVURJKSA-N 427.497 3.897 0 40 IHAB biogenic C[C@@]1(c2cccc(-c3noc(-c4cc(-c5ccccc5Cl)[nH]n4)n3)c2)NC(=O)NC1=O 545654730 KUJDSMQDOZYCFQ-NRFANRHFSA-N 434.843 3.502 0 40 IHAB CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)NC(=O)c2ccc(Oc3ccccc3)nc2)s1 584787569 RSKSURKXQIAWFT-UONOGXRCSA-N 425.514 3.681 0 40 IHAB CC(C)(C)c1nc(CN2CCN(C(=O)[C@@H](Oc3ccccc3)c3ccccc3)CC2)no1 605385991 SLMZXVDUEJGVQG-QFIPXVFZSA-N 434.540 3.832 0 40 IHAB CC(=O)N1CC2=C(C1=O)[C@H](c1cccc(Oc3ncccn3)c1)c1c[nH]c3cccc(c13)N2 1547139568 TWKWMXSSLMJGGW-OAQYLSRUSA-N 437.459 3.950 0 40 IHAB biogenic CCCCc1nc(C)c(CC(=O)N[C@H]2Cc3ccccc3N(C(=O)C(F)(F)F)C2)s1 1614702615 STHBETMLGWMRCW-HNNXBMFYSA-N 439.503 3.973 0 40 IHAB COc1cc2c(cc1NC(=O)N1CC[S@](=O)C[C@@H]1c1cnn(C)c1)oc1ccccc12 1615542076 SEOSJXBPDIPQEB-OKXSDPAFSA-N 438.509 3.666 0 40 IHAB Cc1cc(OCC2CCN(S(=O)(=O)c3ccccc3Br)CC2)ccn1 1775968797 WOGNMAXDGBYEKT-UHFFFAOYSA-N 425.348 3.632 0 40 IHAB O=C1COc2ccc(-c3ccc4c(c3)C3(CCOCC3)CN4C(=O)c3cc[nH]c3)cc2N1 2056226151 LQXZRNXMOKSMOL-UHFFFAOYSA-N 429.476 3.721 0 40 IHAB CCC12CN(C(=O)Cc3ccccc3)CC(CC)(CN(C(=O)Cc3ccccc3)C1)C2=O 658155 NNPBXTMYKCIFIM-UHFFFAOYSA-N 432.564 3.518 0 40 IHAB COc1cc(/C=C2\CCCC3=C2N=C2N=CNN2[C@@H]3c2ccc(O)c(OC)c2)ccc1O 1107118 OZBRQVWXQQYJJR-WIJYMUHASA-N 432.480 3.896 0 40 IHAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)O[C@H](C)C(=O)Nc1ccc2c(c1)OCO2 2651747 DNHSOAZINHLYLJ-CYBMUJFWSA-N 427.844 3.747 0 40 IHAB Nn1c(SCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)nnc1-c1cccnc1 3272451 LFEZBEACLPZMKQ-UHFFFAOYSA-N 429.720 3.745 0 40 IHAB Cc1ccc(-n2nnnc2SCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1 3330739 JLAKCMCRBVCRJD-UHFFFAOYSA-N 428.827 3.769 0 40 IHAB CCc1cc2c(=O)n(CCC(C)C)c(SCn3nnc4ccccc4c3=O)nc2s1 3445046 SIQLJYGNWNAEET-UHFFFAOYSA-N 441.582 3.921 0 40 IHAB Cc1ccccc1N1C(=O)c2ccc(C(=O)OCC(=O)N(C)c3ccccc3)cc2C1=O 3475529 LODMPDDWRXNFGN-UHFFFAOYSA-N 428.444 3.615 0 40 IHAB C[C@@]1(c2ccccc2Cl)NC(=O)N(CC(=O)Nc2ccc(Br)cc2)C1=O 3593610 FWWQWLTZTAQAFH-SFHVURJKSA-N 436.693 3.508 0 40 IHAB c1cncc(-c2nc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c3ccccc3n2)c1 4480123 XERSMLXTTVYNDR-UHFFFAOYSA-N 425.492 3.743 0 40 IHAB Cc1ccc(C(=O)COC(=O)c2ccccc2N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)cc1C 8449895 LLAXYEMFDRGWOT-WKZKVMAPSA-N 431.488 3.879 0 40 IHAB Cc1ccc(-c2n[nH]c(SCC(=O)N(C)CC(=O)Nc3ccccc3Cl)n2)cc1 8723855 VQGIRAWXLXEQCK-UHFFFAOYSA-N 429.933 3.623 0 40 IHAB Cc1nnc(SCC(=O)N(C)Cc2cnn(-c3ccccc3)c2)n1Cc1ccccc1 8848605 BCAPMOATJQIJTR-UHFFFAOYSA-N 432.553 3.571 0 40 IHAB Cc1cc(NC(=O)CSc2nc(COc3ccccc3C)n[nH]2)n(-c2ccccc2)n1 8848625 FHCKWOCDLKBCLO-UHFFFAOYSA-N 434.525 3.917 0 40 IHAB Cc1ccc2c(=O)cc(C(=O)Nc3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)oc2c1 8915215 FOFADAYFMNCARA-MRXNPFEDSA-N 440.521 3.774 0 40 IHAB O=C(NCCc1ccccc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 9094843 JGMJJALCUBVCJB-QFIPXVFZSA-N 442.968 3.589 0 40 IHAB CCCc1nnc(NC(=O)CSc2nnc(COc3ccc(C)cc3C)n2C)s1 9302769 CLUGGOJQOBIAGD-UHFFFAOYSA-N 432.575 3.546 0 40 IHAB O=C(CC1(C(=O)O)CCCCC1)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 9366491 YXMHGZRYNPLCBR-UHFFFAOYSA-N 434.489 3.990 0 40 IHAB CC[C@H](C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N[C@H](C)CCc1ccccc1 9410751 ZOCGGZZQBTWWMG-IXFSTUDKSA-N 436.556 3.707 0 40 IHAB O=C(CSc1nc2[nH]ncc2c(=O)n1-c1cccc2ccccc12)NC1CCCCC1 9434206 OHDCBMQYCVDYBZ-UHFFFAOYSA-N 433.537 3.803 0 40 IHAB COc1cc(Cn2cc(CC(=O)Nc3ccc(C(N)=O)cc3)c3ccccc32)cc(OC)c1 9582299 QBKSFPJFMHENOS-UHFFFAOYSA-N 443.503 3.987 0 40 IHAB Cc1ccc(Cn2cccc/c2=N\C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 9583397 KBGMIUWXHZCKHB-SHHOIMCASA-N 449.576 3.761 0 40 IHAB Cc1cc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)c(C)n1C[C@H]1COc2ccccc2O1 9642596 BYWMVTLCJBRULM-AWEZNQCLSA-N 448.306 3.691 0 40 IHAB CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCS[C@H]2c2ccccc2F)C1=O 9671854 YGUUTTDEXUENTQ-NZQKXSOJSA-N 441.528 3.647 0 40 IHAB CCCc1cc(=O)[nH]c(SCC(=O)Nc2nc(-c3cc(OC)ccc3OC)cs2)n1 9723586 WTJRNVPMNNYAHI-UHFFFAOYSA-N 446.554 3.594 0 40 IHAB CNC(=O)NC(=O)[C@@H](Sc1nc(-c2ccccc2Br)n[nH]1)c1ccccc1 9724508 UBJSKFKZQPFTDP-AWEZNQCLSA-N 446.330 3.523 0 40 IHAB Cc1cc(C(=O)Cn2nc(-c3cccs3)oc2=O)c(C)n1Cc1ccc2c(c1)OCO2 9780413 LFYMCDNEAUIHJD-UHFFFAOYSA-N 437.477 3.643 0 40 IHAB COc1cccc(-n2c(SCC(=O)N3C[C@@H](C)C[C@H](C)C3)nc3ccccc3c2=O)c1 10084597 KFDQNQVMDSBRNA-IRXDYDNUSA-N 437.565 3.991 0 40 IHAB COc1ccc2c(COC(=O)[C@H]3CC(=O)N(c4cccc(SC)c4)C3)cc(=O)oc2c1 10265184 XCKYJSDEDHFTFB-AWEZNQCLSA-N 439.489 3.620 0 40 IHAB CCc1ccc(N2C(=O)N(CC(=O)N3CCCC[C@H]3C)c3ccccc3S2(=O)=O)cc1 10272834 AKSINISPEJCBRI-QGZVFWFLSA-N 441.553 3.785 0 40 IHAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)NC3CC(C)(C)NC(C)(C)C3)c2)c1 11422644 RSLMVNNBVGNWOH-UHFFFAOYSA-N 429.586 3.835 0 40 IHAB Cc1ccc(NC(=O)CN2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)c(Cl)c1 12587860 KGOIDCMTDBTVFA-OAQYLSRUSA-N 427.932 3.867 0 40 IHAB Cc1ccc(-c2nn(CN(C)[C@@H]3CCS(=O)(=O)C3)c(=S)n2-c2ccc(C)cc2)cc1 12594575 NQKAIJHBUKWPKR-HXUWFJFHSA-N 442.610 3.764 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](c3ccccc3)c3ccncc3)CC2)cc1 12822214 YQYXOVMTXAEEIC-XMMPIXPASA-N 449.576 3.697 0 40 IHAB C[C@@H]1CCc2c(sc3nc([C@@H](C)N4CCN(C(=O)c5ccccc5)CC4)[nH]c(=O)c23)C1 12923374 CBCJIHARBCVYJJ-HZPDHXFCSA-N 436.581 3.628 0 40 IHAB COc1ccc(-c2nc(NC(=O)CN3C(=O)N[C@@]4(CCCC[C@@H]4C)C3=O)sc2C)cc1 12993114 WUZFFWVCLKTOFB-WHEQGISXSA-N 442.541 3.566 0 40 IHAB Cc1ccc(CSCCNC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)cc1 13016901 JTTZXZMYBJGHTL-UHFFFAOYSA-N 426.563 3.707 0 40 IHAB COc1ccc(-c2nnc3s/c(=C\c4c(Cl)cccc4Cl)c(=O)n23)cc1OC 13547450 AWKDLGWDJQTAAP-SXGWCWSVSA-N 434.304 3.690 0 40 IHAB CC1(C)Cc2c(c(N3CCCC3)nc3sc4c(=O)n(Cc5ccccc5)nnc4c23)CO1 13690398 PMLDZJPFUZMUAD-UHFFFAOYSA-N 447.564 3.901 0 40 IHAB CCOc1ccccc1-c1nnc(SCC(=O)Nc2cccc(C(=O)OC)c2)n1CC 14152406 SLRZHQXMLXUMBW-UHFFFAOYSA-N 440.525 3.881 0 40 IHAB O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)NCCCN1CCOCC1 14183901 KIZQDWGNFDZXGZ-UHFFFAOYSA-N 427.495 3.884 0 40 IHAB COc1ccc(/C=C/C(=O)Nc2ccc(F)cc2Cl)cc1S(=O)(=O)NC(C)C 15010046 VQMDXLQXFQIEAJ-WEVVVXLNSA-N 426.897 3.826 0 40 IHAB O=C(CCCOc1ccccc1F)N1CCC(c2nc(-c3nccs3)cc(=O)[nH]2)CC1 19350263 CYJKUKLNTQKPMS-UHFFFAOYSA-N 442.516 3.598 0 40 IHAB CCc1onc(C)c1C(=O)N1CCNC(=O)[C@H](Cc2ccccc2-c2ccc(OC)cc2)C1 19521132 RFFSDRILMVXJIE-HXUWFJFHSA-N 447.535 3.652 0 40 IHAB Cc1ncncc1C(=O)N1CCc2nc(-c3ccncc3)nc(Oc3ccc(F)cc3)c2C1 19552990 BCVIUPZIHTUKIQ-UHFFFAOYSA-N 442.454 3.767 0 40 IHAB COc1cccc(CN2CCNC(=O)[C@@H](Cc3cccc(-c4cccnc4)c3)C2)c1OC 19567995 RVJRFHDWOTXHRP-QHCPKHFHSA-N 431.536 3.557 0 40 IHAB CN(C)C(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CN(C(=O)C2CCCCC2)CCO1 19580584 WDVBWKOFZHXWEC-AREMUKBSSA-N 435.568 3.557 0 40 IHAB CCc1nccn1CC(=O)N1CCC[C@H](c2nc(N(C)C)ncc2-c2ccccc2F)C1 19694196 XKBUZVIGOXCLIP-KRWDZBQOSA-N 436.535 3.514 0 40 IHAB Cc1nc([C@@H]2CCCN2C(=O)c2cccnc2)nc2c1CCC(=O)N2Cc1ccccc1 19696378 MFVMAOCHOCDZSM-NRFANRHFSA-N 427.508 3.637 0 40 IHAB Cc1nc([C@@H]2CCCN2C(=O)COc2ccccc2)ncc1C(=O)NCc1ccc(F)cc1 19755013 RIXAFZKSRFNLDX-QFIPXVFZSA-N 448.498 3.597 0 40 IHAB Cc1nc([C@@H]2CCCN(C(=O)c3cc(C(C)C)n[nH]3)C2)ncc1C(=O)NCc1ccccc1 19763495 ZPTYATBSKZZZBK-LJQANCHMSA-N 446.555 3.581 0 40 IHAB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)Nc1ccc(F)c(F)c1 20010981 HHNJDXNTNREFFS-UHFFFAOYSA-N 434.439 3.934 0 40 IHAB COc1cccc(C(=O)N(CCN2CCOCC2)c2nc3c(OC)ccc(C)c3s2)c1 20743880 YXOIKYBXWVNKKC-UHFFFAOYSA-N 441.553 3.601 0 40 IHAB Cc1ccc(NC(=O)Cn2c(=O)n(Cc3ccc(Cl)cc3)c(=O)c3cccnc32)cc1C 20861228 FWMKNBIUVXNXOM-UHFFFAOYSA-N 448.910 3.515 0 40 IHAB Cn1cccc1[C@@H](CNC(=O)C(=O)Nc1ccccc1Cl)N1CCc2ccccc2C1 21155900 YWJAODJAINDHBV-JOCHJYFZSA-N 436.943 3.533 0 40 IHAB CCOc1ccc(-c2cc(C(=O)N(Cc3cccs3)[C@@H]3CCS(=O)(=O)C3)no2)cc1 21524302 OLDSAUIOINIUAC-MRXNPFEDSA-N 446.550 3.631 0 40 IHAB CC1(C)C[C@H](NC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)c2ccccc2O1 22365609 ZSCVCBZKMJDHIB-KRWDZBQOSA-N 440.924 3.664 0 40 IHAB Cc1cccc(CNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(F)cc2)c1 22395937 UMSFMCAOLLOBKB-UHFFFAOYSA-N 430.476 3.785 0 40 IHAB Cc1ccc(NC(=O)CSc2nnc3nc(O)c(-c4ccc(Cl)cc4)nn23)cc1 22720342 QNSFODDWIGDVPK-UHFFFAOYSA-N 426.889 3.585 0 40 IHAB CC(C)N(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 23510513 GYDVQUIFDFSDKJ-UHFFFAOYSA-N 435.977 3.573 0 40 IHAB O=C(Nc1ccc(F)cc1F)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 24608614 ZQRLJOMJJUFTLR-UHFFFAOYSA-N 428.888 3.799 0 40 IHAB Cc1cccn2c(=O)cc(CN(Cc3ccc(C(=O)NC4CC4)cc3)Cc3ccco3)nc12 27576126 SHDKZPFECBOONG-UHFFFAOYSA-N 442.519 3.691 0 40 IHAB CC(C)n1ncc2c(C(=O)N3CCN(C(=O)c4ccccc4)CC3)cc(-c3ccco3)nc21 29690915 WEFPMRJPGFMINU-UHFFFAOYSA-N 443.507 3.870 0 40 IHAB CC(C)C[C@@H](NC(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O)c1ccccc1 30848711 KFAJFVZJXDNDRH-HXUWFJFHSA-N 446.569 3.865 0 40 IHAB COc1cc(Br)c(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OC 32109716 UVXJAIBBFRDUCO-VIZOYTHASA-N 435.249 3.698 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(Cc4ccc(F)cc4)o3)C2)c(C)c1 35596934 IGHMWARRMNBHJW-GOSISDBHSA-N 429.517 3.985 0 40 IHAB COc1cccc(-c2cc(C(=O)NCCCn3nc(C)cc3C)c3c(C)nn(C)c3n2)c1 36616590 JGQAHUWZLOPWGE-UHFFFAOYSA-N 432.528 3.586 0 40 IHAB COc1ccc(OC)c(CNC(=O)c2nnn(-c3ccc(Cl)cc3)c2-c2cccnc2)c1 38487520 UTZSDIQNMDVQIG-UHFFFAOYSA-N 449.898 3.930 0 40 IHAB CN(c1cccc(NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)c1)S(C)(=O)=O 38856549 HYLXMSIEWGKOGN-KRWDZBQOSA-N 435.977 3.587 0 40 IHAB CCn1c(CN2CCCCCC2=O)nnc1Sc1nc2cc(C)nn2c2ccccc12 40071554 JTEAQIFGFQXGIQ-UHFFFAOYSA-N 435.557 3.856 0 40 IHAB C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 40074034 OJBVJWMEUFCNRZ-QGZVFWFLSA-N 429.476 3.811 0 40 IHAB CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(Br)cc2F)c1=O 40478509 WHUGACLXFOHMRQ-UHFFFAOYSA-N 448.292 3.504 0 40 IHAB CSc1ccccc1CN1CCC(CNC(=O)C(=O)Nc2ccc(C)c(C)c2)CC1 43942545 OGASIBLGMVZFPQ-UHFFFAOYSA-N 425.598 3.992 0 40 IHAB COc1ccc(OC)c(CNC(=O)c2nnn(-c3ccc(Br)c(C)c3)c2C)c1 51317891 ABVNMXQCEHBSTO-UHFFFAOYSA-N 445.317 3.594 0 40 IHAB CCOc1ccc(NC(=O)CSc2nnc(-c3sc4ncccc4c3N)n2C)cc1 64370034 QROGULIVONPLBM-UHFFFAOYSA-N 440.554 3.804 0 40 IHAB CCc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)N1CCC(Cc2ccccc2)CC1 64837188 QACWXCUYCOQQCN-UHFFFAOYSA-N 437.565 3.643 0 40 IHAB CN(C)Cc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)cc1 65614909 YZLXTBYHJROBQO-FQEVSTJZSA-N 434.367 3.976 0 40 IHAB CC[C@H](C)n1c(SCC(=O)Nc2ccccc2C(=O)OC)nc2cc(C)[nH]c2c1=O 67238795 OLLJAMPLZYDJOV-ZDUSSCGKSA-N 428.514 3.521 0 40 IHAB Nn1c(SCc2ccc(Br)cc2)nc2ccc(Br)cc2c1=O 71327691 GWTYWQOWCOWXCF-UHFFFAOYSA-N 441.148 3.928 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCN(Cc3ccccc3)c3ccccc32)cc1C(N)=O 72294545 DYSVRPLFNBBNKX-UHFFFAOYSA-N 435.549 3.700 0 40 IHAB Cc1nn(C)c2c1N(C(=O)OC(C)(C)C)C[C@H](C)N2C(=O)Cc1cn(C)c2ccccc12 72310521 DIXRSMGISDBLHB-HNNXBMFYSA-N 437.544 3.940 0 40 IHAB Cc1cc(C)nc(N2CCC[C@@H](c3nc(C)c4c(n3)N(Cc3cccc(F)c3)C(=O)C4)C2)n1 72371939 OWESHCKHADKPKV-LJQANCHMSA-N 446.530 3.804 0 40 IHAB Cc1cnc(C(=O)N2CCC[C@H](c3nc(N(C)C)ncc3-c3cccc(Cl)c3)C2)cn1 72376653 IIWDQGZFZULIGV-KRWDZBQOSA-N 436.947 3.981 0 40 IHAB CCN(CC)C(=O)[C@@H]1CC[C@](C)(C(=O)N2CCC[C@H](c3n[nH]c4ncccc34)C2)C1(C)C 72397025 GJPVZCYTZLCUST-FXJWSJNKSA-N 439.604 3.975 0 40 IHAB CCN(CC)[C@@H](CNC(=O)CSc1nc2ccccc2n1CCOC)c1ccco1 84771093 CBBQLGSIPUJUPX-IBGZPJMESA-N 430.574 3.567 0 40 IHAB Cn1ncc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)c1C(F)F 89741039 LWPVMHOFXCUJSS-QGZVFWFLSA-N 428.439 3.834 0 40 IHAB CCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1cccc(-c3csc(C)n3)c1)C2=O 89948245 VLBRNKQWTTUOKA-UHFFFAOYSA-N 426.542 3.948 0 40 IHAB CN(CC1CCN(C(=O)Nc2ccccc2)CC1)C(=O)CC[C@@H]1Cc2ccccc2NC1=O 95451303 MPEQVTBYWNTGHQ-OAQYLSRUSA-N 448.567 3.980 0 40 IHAB O=C(N[C@@H]1CC(=O)N(CC(F)(F)F)C1)[C@@H]1CCCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 95465238 WNJGZCJKPUKVNI-MGPQQGTHSA-N 442.869 3.770 0 40 IHAB O=C(Nc1cccc(C(=O)Nc2ccc(Br)cn2)c1)c1cc(Cl)[nH]c(=O)c1 96012374 IOMVDEWVWDEXNO-UHFFFAOYSA-N 447.676 3.690 0 40 IHAB CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2)=N[C@H]1c1cccc(OC)c1 103828554 ZPFJJBUWDCVTLJ-NRFANRHFSA-N 439.537 3.905 0 40 IHAB COc1ccc([C@@H](CC(C)C)NC(=O)[C@@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1 216456543 YMYKSFJRZDGIEI-VGOFRKELSA-N 448.585 3.762 0 40 IHAB COc1ccc(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NCc2ccco2)cc1OC 222730763 LJZGYSGKNBVGFL-SFHVURJKSA-N 436.508 3.573 0 40 IHAB CC(C)Sc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)s1 222853871 NMDUKAFYOJOODU-UHFFFAOYSA-N 440.616 3.856 0 40 IHAB O=S(=O)(Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1)CC2)c1ccccc1 222983461 GGHCTGWGWAPMRB-UHFFFAOYSA-N 448.953 3.892 0 40 IHAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1C(C)C 223179968 JNJLZLDDQLLJLD-PKTZIBPZSA-N 441.645 3.776 0 40 IHAB CSc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccc(C)cc3)no2)cc1NC(C)=O 223336253 KRIGBAGNZYRTRL-UHFFFAOYSA-N 446.554 3.546 0 40 IHAB Cc1ccc(N(CCCC(=O)NCCOc2ccc3ccccc3c2)S(C)(=O)=O)cc1 223627745 QTXACCHNCAEPBH-UHFFFAOYSA-N 440.565 3.890 0 40 IHAB CCOc1ccc([C@@H](C)NS(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)cc1OCC 223680584 ABRNZWRJYNPERA-CYBMUJFWSA-N 441.933 3.964 0 40 IHAB Cc1ccc(OCCNC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c(C)c1 224056816 SOACKPOQNYURAM-UHFFFAOYSA-N 432.586 3.562 0 40 IHAB Cc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1N(C)S(=O)(=O)c1ccccc1 224293767 UOPVPUDCTWKDPL-UHFFFAOYSA-N 438.505 3.844 0 40 IHAB Cc1ccc(OCCNC(=O)CCCN(c2cccc(C)c2C)S(C)(=O)=O)c(C)c1 224743865 SZHFIUAQATVMCF-UHFFFAOYSA-N 432.586 3.662 0 40 IHAB COc1ccc(CNC(=S)Nc2nc(C)cc(N3CCN(c4ccccc4)CC3)n2)cc1 225932258 BRGBQEJTXNLOFH-UHFFFAOYSA-N 448.596 3.607 0 40 IHAB Cc1ccc(Cl)cc1N([C@H](C)C(=O)NCCOc1ccccc1Cl)S(C)(=O)=O 260846300 LBVPOIHAOFWCKF-CQSZACIVSA-N 445.368 3.652 0 40 IHAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 260924522 IFLMNFLJAIGOAS-ZHRRBRCNSA-N 430.570 3.606 0 40 IHAB Cc1nc(CN2CC[C@@]3(CN(C(=O)CC(C)C)C[C@@H]3c3cn(C(C)C)cn3)C2=O)cs1 306143913 YQPAWPGVGKSCJE-XXBNENTESA-N 443.617 3.620 0 40 IHAB COC(=O)c1ccc(Cl)c(NC(=O)CCCN(c2ccc(C)cc2)S(C)(=O)=O)c1 408694146 CRWJGQZNYYZFFM-UHFFFAOYSA-N 438.933 3.620 0 40 IHAB CCOc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)cc(I)c1O 409017349 MWQPPNQJCUHFGU-KPKJPENVSA-N 433.267 3.840 0 40 IHAB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)ccc1OC(C)=O 409349919 RZNWPSXYNWLDDT-ODLFYWEKSA-N 440.477 3.604 0 40 IHAB COc1ccc(CN(C)[C@H]2[C@H](NC(=O)OC(C)(C)C)C[C@@H](Oc3ccccc3)[C@@H]2O)cc1 585262263 GJKGWVRJDFYFNC-LUKWVAJMSA-N 442.556 3.601 0 40 IHAB Cc1ccc(Oc2c(F)cccc2O[C@@H]2CCC[C@@H](NC(=O)CCC(=O)O)[C@H]2O)cc1 585262348 UCHKJXRIAOOXKR-JBYIUTFZSA-N 431.460 3.568 0 40 IHAB CCCS(=O)(=O)c1ccccc1S(=O)(=O)CCN1CCC(C2CCCC2)CC1 685036311 GWJHPDZLGAKTBO-UHFFFAOYSA-N 427.632 3.546 0 40 IHAB C[C@@H]1CCCCN1C(=O)CSc1nnc(CNc2cccc(C(F)(F)F)c2)n1C 896889 IOWGNGIMUDORPK-CYBMUJFWSA-N 427.496 3.939 0 40 IHAB O=C(N/C(=C/C=C/c1ccccc1)C(=O)N1CCOCC1)c1ccccc1Br 915842 CVUMMPGUOOREQN-XCHVBMRISA-N 441.325 3.635 0 40 IHAB C[C@H]1C[C@@H](Nc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2Cl)CC(C)(C)C1 1242565 KJTBTGMIECEPBR-DZGCQCFKSA-N 429.952 3.752 0 40 IHAB CCCCOC(=O)c1ccc(NC(=S)N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 2145977 CZEONOIBXLNPRL-WMZOPIPTSA-N 425.554 3.621 0 40 IHAB COC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)C[C@@H](C(C)C)OC3 2274256 IPNUCBYVUVCVQQ-HNNXBMFYSA-N 430.551 3.810 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc2oc(SCC(=O)Nc3ccc(F)cc3)nc2c1 3229972 GUHDOYDHZGPXIZ-UHFFFAOYSA-N 437.518 3.728 0 40 IHAB Nc1cccc2c1C(=O)N(C(=O)/C=C/c1cn(-c3ccccc3)nc1-c1ccccc1)C2=O 3306136 ZAQWHDPKIRLTEJ-CCEZHUSRSA-N 434.455 3.958 0 40 IHAB CCCCCOc1ccc(NC(=O)[C@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]23)cc1 8660786 KOTQDXOXUNHJPR-HZKQSDJQSA-N 435.517 3.591 0 40 IHAB Cc1ccc(NC(=O)[C@H]2CCCO2)cc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1 8708456 DAKGONIKNXCLMP-MRXNPFEDSA-N 428.432 3.932 0 40 IHAB COc1ccc([C@@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2C(=O)C(C)(C)C)cc1 8710317 AVRPJCBTPYODLD-FQEVSTJZSA-N 429.542 3.791 0 40 IHAB CCCCOCCCNC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N12 8789935 PSYTVKXXXFABSL-UPVQGACJSA-N 431.536 3.961 0 40 IHAB biogenic CCCOC(=O)c1ccc(NC(=S)NC(=O)c2c(F)c(F)c(OC)c(F)c2F)cc1 9064830 BYCGPIRUOBXGLZ-UHFFFAOYSA-N 444.406 3.945 0 40 IHAB COc1ccc(CN2C(=O)[C@@](NC(=O)CCC3CCCCC3)(C(F)(F)F)N=C2O)cc1 9420590 BORVPKAGAOXGRF-FQEVSTJZSA-N 441.450 3.687 0 40 IHAB CC(=O)c1cccc(NC(=O)CCNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1 9665669 JOGJCXSMHYBIQY-UHFFFAOYSA-N 448.850 3.869 0 40 IHAB O=C(Nc1ccccc1N1CCCC1=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 9669665 KVAJFKNCDFLYPU-UHFFFAOYSA-N 435.505 3.867 0 40 IHAB C[C@@H](NC(=O)c1ccccc1NC(=O)CSc1nnc(C2CC2)n1C)c1ccccc1 9764481 XNLINVGGGVTDNJ-OAHLLOKOSA-N 435.553 3.914 0 40 IHAB CC1CCN(c2ccc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)cc2)CC1 9873249 SIWDBRCPQXIZLW-JOCHJYFZSA-N 445.560 3.854 0 40 IHAB O=C(CN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc12)NCc1ccc2c(c1)OCO2 9933326 QGCCNGQQAUYMGC-RUZDIDTESA-N 439.471 3.758 0 40 IHAB CCOC(=O)c1cccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=O)N2CC(C)C)c1 9934218 HZRBQOKAJCBNLF-FQEVSTJZSA-N 437.496 3.685 0 40 IHAB O=C(C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)N1CCC[C@H]1c1ccccc1 9956951 KFNJLEVZRIKSQP-NRFANRHFSA-N 434.508 3.729 0 40 IHAB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)NCCCc1ccccc1 10110194 CBOAZPJVTILIKM-UHFFFAOYSA-N 426.513 3.770 0 40 IHAB COc1cc2ncn(CCCC(=O)N[C@@H]3CCSc4ccccc43)c(=O)c2cc1OC 10758062 BZYYFFFVHXQVDM-QGZVFWFLSA-N 439.537 3.547 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cccc(C)c2C(=O)OC)ccc1Cl 11058212 IXEDYXKRIGFDHY-UHFFFAOYSA-N 438.933 3.718 0 40 IHAB COc1cc(C)c(NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)cc1OC 11648471 HMEBSSJGJAXGOK-UHFFFAOYSA-N 427.526 3.691 0 40 IHAB O=C(CSc1nnnn1Cc1ccco1)N1c2ccccc2OC[C@@H]1c1ccccc1 11742484 JFBYRIGFUXWTQD-LJQANCHMSA-N 433.493 3.573 0 40 IHAB O=C(c1cccc(N2CCCCS2(=O)=O)c1)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 12116147 ATTQSTMALHJWQQ-OAQYLSRUSA-N 438.553 3.860 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)/C=C/c1ccc2c(c1)OCO2 12528767 DRVMPLKWLVCKEJ-JXMROGBWSA-N 428.510 3.550 0 40 IHAB CCOc1ccc2nc(NC(=O)CN(C)S(=O)(=O)c3ccc(Cl)s3)sc2c1 12778093 XEEVQNKXYNFDMA-UHFFFAOYSA-N 445.975 3.669 0 40 IHAB CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)COc1ccc(C(N)=O)cc1 12798864 MTMPGDWHPSITSE-UHFFFAOYSA-N 443.297 3.845 0 40 IHAB COc1ccccc1CCNC(=O)CSc1ccccc1C(=O)OCC(=O)C(C)(C)C 12975969 XPXFLNLMYWEHBC-UHFFFAOYSA-N 443.565 3.918 0 40 IHAB COCCn1nnnc1[C@H](c1ccc(Cl)cc1)N1CCN(c2cc(C)ccc2C)CC1 13504238 DMPHIGUYFNEAIS-QFIPXVFZSA-N 440.979 3.501 0 40 IHAB Cc1cccc(N(CC(=O)NC2CCCCC2)C(=O)CCC(=O)Nc2nc(C)cs2)c1 13509601 AEWYGCNDEGSRDE-UHFFFAOYSA-N 442.585 3.961 0 40 IHAB CC(C)OC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC(C)C)[C@@H]1c1ccc(C(C)(C)C)cc1 13583201 UTHOPROUGTUCHE-HSGJQSDISA-N 432.557 3.927 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1 13585122 UCSMZOMLZMUHOE-UHFFFAOYSA-N 428.485 3.977 0 40 IHAB O=C(NCCc1ccco1)c1ccc2nc(NS(=O)(=O)c3ccccc3)sc2c1 13719813 AFLUJBKUAIYQDK-UHFFFAOYSA-N 427.507 3.663 0 40 IHAB C[C@@H]1Oc2ccc(NC(=O)[C@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)cc2NC1=O 14241496 FRJNWEOTHRYULY-ZFWWWQNUSA-N 427.888 3.550 0 40 IHAB C[C@@H](N[C@H](C)c1cccc2ccccc12)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 15517240 JJOQRSYLLLZIIY-IAGOWNOFSA-N 425.554 3.768 0 40 IHAB CCOc1ccc(NC(=O)CCC(=O)c2ccc(F)cc2)cc1S(=O)(=O)N1CCCC1 15788362 RGNINCIJCLKAAU-UHFFFAOYSA-N 448.516 3.611 0 40 IHAB COc1ccccc1NS(=O)(=O)c1cc(NC(=S)NCCCSC)ccc1C 16219219 QUPZLGFDRNOSJP-UHFFFAOYSA-N 439.628 3.844 0 40 IHAB Cc1nc(C)c(-c2ccc(SCC(=O)N3CCN(c4ccccc4)CC3)nn2)s1 16991858 RUTVTEANXNULKO-UHFFFAOYSA-N 425.583 3.658 0 40 IHAB C[C@@H]1CCC[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)[C@@H]1C 19006054 JOZXKDYVUVLYIZ-PJIJBLCYSA-N 430.973 3.821 0 40 IHAB CO[C@H]1CCC[C@H](C(=O)NC2CCN(c3ncc(-c4cc(C)no4)c(C4CC4)n3)CC2)C1 19121705 HKZVMCFSWJIHFT-HKUYNNGSSA-N 439.560 3.608 0 40 IHAB COc1ccc(-c2cnc(N(C)C)nc2[C@H]2CN(Cc3cnc(C)s3)CCO2)cc1 19693037 FPLYEVWAUBYHCT-HXUWFJFHSA-N 425.558 3.557 0 40 IHAB Cc1ccc(C)c([C@@H]2CCCN2C(=O)c2ccc(C3CCN(S(C)(=O)=O)CC3)nc2)c1 19708145 MQCGWPPYDHKOGK-QHCPKHFHSA-N 441.597 3.815 0 40 IHAB CC(C)c1csc(NC(=O)CC2CCN(S(=O)(=O)c3cccc(F)c3)CC2)n1 19748845 ULAHGPWEONCOKM-UHFFFAOYSA-N 425.551 3.835 0 40 IHAB O=C(CCC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)Nc1ccc(Cl)cc1 20721978 NBIGCIQORDTFGJ-UHFFFAOYSA-N 438.915 3.525 0 40 IHAB CCNS(=O)(=O)c1ccc(C)c(C(=O)OCc2cc(=O)oc3cc(C)c(Cl)cc23)c1 21468407 TWLDPHNKTQBWJJ-UHFFFAOYSA-N 449.912 3.718 0 40 IHAB C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)Nc1ccccc1OC(F)(F)F)C2=O 21759514 GDPKXWYEDZKLSX-BUXKBTBVSA-N 427.423 3.661 0 40 IHAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NCC1(N2CCOCC2)CCCCC1 23236658 DMDUVILYCCLJLF-UHFFFAOYSA-N 449.599 3.583 0 40 IHAB O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1nc(-c2ccc3c(c2)CCO3)cs1 24031301 PZGNKASYPZLFHB-UHFFFAOYSA-N 441.896 3.763 0 40 IHAB CCc1nnsc1C(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O 24830507 ZCORCXDDANOYFJ-UHFFFAOYSA-N 438.918 3.513 0 40 IHAB O=C(Nc1ccc(I)cc1)c1cccc(NC(=O)[C@H]2CCCO2)c1 25494280 OZHVEMWBCUEIKC-MRXNPFEDSA-N 436.249 3.661 0 40 IHAB COc1ccc(OC)c(CNC(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3)c2)c1 25820907 QTASYGXOMDWDDC-UHFFFAOYSA-N 440.521 3.743 0 40 IHAB CNC(=O)[C@H]1CN(C(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)c2ccccc2O1 29767323 NDZVLTKIRQMVDD-SECBINFHSA-N 435.094 3.849 0 40 IHAB CC(=O)Nc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)ccc1F 32458245 PELADRULMKEKKB-GFCCVEGCSA-N 434.265 3.538 0 40 IHAB COc1ccc(CSCCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1F 32778709 BUCWMFUAXLGHNW-UHFFFAOYSA-N 429.517 3.894 0 40 IHAB CC(C)n1ncc2cc(NC(=O)[C@H]3CCN(c4cccc(OC(F)(F)F)c4)C3=O)cnc21 32915824 BLZOMTKXPIYASC-QGZVFWFLSA-N 447.417 3.902 0 40 IHAB COc1ccccc1[C@H](OC(=O)c1cccs1)C(=O)NCc1ccc2c(c1)OCO2 35289910 UITMPZFYHAIHHC-FQEVSTJZSA-N 425.462 3.700 0 40 IHAB Cc1ccc(-c2ccsc2C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)cc1 35349082 YLDNIRCEEAHPTH-UHFFFAOYSA-N 425.598 3.884 0 40 IHAB CCn1c(=O)c(C)nc2cc(C(=O)OCC(=O)c3cccc(Br)c3)ccc21 39977886 RZTUNKJWKZGAJM-UHFFFAOYSA-N 429.270 3.527 0 40 IHAB Cc1ccc(-n2nnc(C(=O)N3CCC(c4nnc5ccccn45)CC3)c2C(C)C)cc1 40145096 MSPQPIYVZKVSLH-UHFFFAOYSA-N 429.528 3.762 0 40 IHAB O=C(Nn1ccc2c(cnc3c(-c4ccc(Cl)cc4)cnn32)c1=O)c1ccc(F)cc1 40397379 PPKUNAJLCFSFRT-UHFFFAOYSA-N 433.830 3.888 0 40 IHAB Cc1nc2nc3ccn(Cc4ccc5c(c4)OCO5)c(=O)c3c(-c3cccc(Cl)c3)n2n1 40398367 ZOQRPOLOSMRASO-UHFFFAOYSA-N 445.866 3.845 0 40 IHAB O=C1C[C@H](C(=O)Nc2cccc(Cl)c2)c2c(nc(Nc3cccc(Cl)c3)[nH]c2=O)N1 40399381 YGDUPIMKVCOJPP-AWEZNQCLSA-N 444.278 3.885 0 40 IHAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(Cl)cc2)cc1C(=O)N1CCCCC1 44884791 ZDUZAAPPOSJUPX-UHFFFAOYSA-N 436.961 3.795 0 40 IHAB O=C([C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Cl)cc1)N1CCCCC1 45356904 SVKLZVIIPWYADX-OAQYLSRUSA-N 445.972 3.723 0 40 IHAB biogenic O=C(NCc1ccc(N2CCCC[C@@H]2CCO)nc1)c1cc(-c2cccc(Cl)c2)[nH]n1 48353966 ATYPGDYBARZHTP-LJQANCHMSA-N 439.947 3.796 0 40 IHAB COCc1nn2c(c1-c1ccccc1)N=C(O)C[C@@H]2C(=O)Nc1ccc(OC)c(OC)c1 49549109 QRJVKLKJEZULOE-QGZVFWFLSA-N 436.468 3.885 0 40 IHAB COc1cccc(NC(=O)Cn2c(=O)n(Cc3cccc(Cl)c3)c(=O)c3ccccc32)c1 57472835 KFGVROXDTKMBMS-UHFFFAOYSA-N 449.894 3.512 0 40 IHAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2ncc(CN[C@H](C)c3ccc4c(c3)CCCC4)cc12 58172273 MZBGMNCHULERMF-OPAMFIHVSA-N 438.597 3.829 0 40 IHAB O=C(c1csc(-c2ccco2)n1)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 58183499 NQIQGYQOOBPPMH-UHFFFAOYSA-N 427.917 3.662 0 40 IHAB Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CCN([C@H](C)c2nc(C3CC3)no2)CC1 59374071 XDAFTQYJFJAYNW-QGZVFWFLSA-N 446.617 3.929 0 40 IHAB COc1ccc([C@@H](C)NC(=O)CCc2nc(-c3cc4cc(C)ccc4[nH]c3=O)no2)cc1 64789996 JSLXGFQISWDLGH-OAHLLOKOSA-N 432.480 3.705 0 40 IHAB COc1ccccc1Cn1c(=O)c2sccc2n(CC(=O)Nc2ccc(C)c(C)c2)c1=O 67205640 DMTUPCNTFOLMMV-UHFFFAOYSA-N 449.532 3.537 0 40 IHAB COc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)NC[C@@H]2CCCO2)cc1Cl 67298828 IBWDQKOAMJQWIS-NOAXNCOGSA-N 428.872 3.942 0 40 IHAB CC(=O)c1cccc(NC(=O)Cn2nnc(C(=O)Nc3cc(Cl)cc(Cl)c3)c2C)c1 67322964 BBMJIRDFCOMHFL-UHFFFAOYSA-N 446.294 3.987 0 40 IHAB CCOc1ccc(NC(=O)c2cnc(N3CCN(c4ccc(C)cc4C)CC3)nc2N)cc1 67336510 AAUXUUQOYKDKDE-UHFFFAOYSA-N 446.555 3.653 0 40 IHAB O=C(CCn1nc(-c2ccc(Br)cc2)ccc1=O)NCc1ccccc1F 72328326 KCFCQNRZCWONFB-UHFFFAOYSA-N 430.277 3.518 0 40 IHAB CC1(C)Oc2ccc(C(=O)N3CCC[C@H]3c3ccc(Nc4cnccn4)cn3)cc2NC1=O 72353065 OEVVVUPKAKOZPN-IBGZPJMESA-N 444.495 3.702 0 40 IHAB CCOc1cc(CN2CCC[C@@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)ccc1OC 72394300 DRGPEPBAHFTARI-MRXNPFEDSA-N 438.977 3.925 0 40 IHAB COc1ccc2c(c1)CN(Cc1cccc(OC)c1OC)C[C@@]1(CCCN(C)CC1)O2 72394514 DYZIEZIIQXSUGX-VWLOTQADSA-N 426.557 3.962 0 40 IHAB Cc1ccccc1-c1cc(CC2(C(=O)N[C@@H](C)C(=O)N3CCCCC3)CCOCC2)on1 72394538 VYYNKERBUQMCCZ-IBGZPJMESA-N 439.556 3.507 0 40 IHAB COCc1cc(C[C@@H]2CC[C@H](O)[C@@H](CN(Cc3ccccc3)Cc3ccccc3)O2)no1 77262387 JGXSYUMMSYLKFP-AYRHNUGRSA-N 436.552 3.974 0 40 IHAB biogenic,in-vitro CO[C@@H]1CC(=O)[C@@]23C(O)=N[C@@H](CC(C)C)[C@@H]2[C@@H](C)C(C)=C[C@@H]3/C=C(\C)CC[C@H](O)[C@@H]1O 82123452 VMCFTVWDHVWSOB-LPXYXJLTSA-N 433.589 3.622 0 40 IHAB biogenic,in-vitro CCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1OCC 89267959 PQLJQKALZHPLPH-UHFFFAOYSA-N 432.542 3.523 0 40 IHAB COc1cccc(/C=C/C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c1OC 89651192 XJJCNIFJVAPBNY-ACCUITESSA-N 444.553 3.839 0 40 IHAB O=C(COc1ccc(OC(F)(F)F)cc1)Nc1ccc2c(c1)C(=O)N1CCC[C@@H]1C(O)=N2 95473808 LSRKRPFUWKMAEK-QGZVFWFLSA-N 449.385 3.809 0 40 IHAB NC(=O)Nc1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1 95830580 HFPDOFBZCSQAEJ-JOCHJYFZSA-N 445.475 3.712 0 40 IHAB in-vitro O=C(NCCn1nc(-c2ccccn2)c2c1CCCC2)C1(c2ccccc2)CCOCC1 96121507 SFHMWAVXYVRDBZ-UHFFFAOYSA-N 430.552 3.689 0 40 IHAB CC1(C)C[C@@H]2C[C@](C)(CN2[C@H](C(=O)O)c2c[nH]c3cc(NC(=O)/C=C/C(=O)O)ccc23)C1 101641463 OGOIDEGCILKTIU-TWBDTLAPSA-N 439.512 3.774 0 40 IHAB COc1ccc(NC(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2C)cc1 107900345 KYGFSOBAANDLJU-UHFFFAOYSA-N 432.542 3.632 0 40 IHAB COC(=O)c1ccc(S(=O)(=O)N2CCS[C@H](c3ccccc3Cl)CC2)cc1 207001435 FEZKAMYBIVMREK-SFHVURJKSA-N 425.959 3.996 0 40 IHAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1cc(S(=O)(=O)NC(C)C)ccc1OC 216301624 OYXZESLWFJESKI-LJQANCHMSA-N 434.558 3.795 0 40 IHAB Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)Nc2ccc(C)cc2Br)c(C)c1 223061675 KIZFBXNOFVEPDB-UHFFFAOYSA-N 439.375 3.942 0 40 IHAB Cc1ccc(-c2nnc(NC(=O)CN(c3ccc(C)c(C)c3)S(C)(=O)=O)s2)cc1 223245429 JQJIMWCKYIINPC-UHFFFAOYSA-N 430.555 3.535 0 40 IHAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2ccc3c(c2)OCCO3)cc1 223348728 OYVZTBAFDSMUGO-RGEXLXHISA-N 436.489 3.938 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC(=O)NCC2=CCCCC2)c2ccccc2)cc1 223741269 MTQWFIJLLRDEQS-UHFFFAOYSA-N 428.554 3.897 0 40 IHAB Cc1cccc(OCCNC(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)c1C 223960179 VXNJAEMFQDPSGK-UHFFFAOYSA-N 438.549 3.937 0 40 IHAB O=C(NC[C@H]1CCCO1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1Cl 224019332 LAKZEJRSZSMQTB-CQSZACIVSA-N 429.325 3.703 0 40 IHAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc2c(c1)OCCO2 224809363 QJLSJFCHDVWRMF-QGZVFWFLSA-N 444.959 3.987 0 40 IHAB Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)NCc1cccc(N2CCCC2=O)c1 224884238 JKTXBJKYFTYJPP-KQWNVCNZSA-N 443.503 3.802 0 40 IHAB CCCc1ccc(OCCNS(=O)(=O)c2cc(Br)ccc2OC)cc1 225196925 PSPMYISVLPSBDI-UHFFFAOYSA-N 428.348 3.768 0 40 IHAB CCOc1c(I)cc(I)c2cccnc12 225392944 DNWGECYXZNDQMM-UHFFFAOYSA-N 425.007 3.843 0 40 IHAB CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)COc1cc(C)ccc1C 225463111 RTSPPNNBVDVVHA-INIZCTEOSA-N 433.346 3.608 0 40 IHAB CCOC(=O)c1cc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3CC)ccc1Cl 225694210 ZRPWTKMNQTTXMU-UHFFFAOYSA-N 440.930 3.714 0 40 IHAB COC[C@]1(C(N)=S)[C@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 252516362 SFGHIZLBYZSJPD-NUJGCVRESA-N 430.378 3.852 0 40 IHAB COCCc1ncc(CN2CCO[C@H](c3cc(Cc4cccc(OC)c4)cc(C)n3)C2)cn1 257259036 KWOCBMQRGKAQPZ-VWLOTQADSA-N 448.567 3.542 0 40 IHAB COCCOc1ccc(C(=O)N2[C@H]3CCCC(=O)N[C@@]3(C)C[C@H]2Cc2ccccc2)cc1 257262337 LKZMKLWFGALLQS-JJTGBXKASA-N 436.552 3.596 0 40 IHAB C[C@@H]1CCCN(c2cc(N3CCCC[C@H]3C)nc(NC(=S)NCc3cccnc3)n2)C1 260717695 PCRCNOAYMGOFDH-QZTJIDSGSA-N 439.633 3.973 0 40 IHAB COc1ccc(F)cc1-c1ccc2nc([C@H]3CCCN(C(=O)c4ocnc4C)C3)nn2c1 306133556 MPLRNJBUJWMRHH-INIZCTEOSA-N 435.459 3.860 0 40 IHAB O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl)Nc1ccc(F)cc1F 408555722 HKHSKNZEGYFLIX-UHFFFAOYSA-N 444.887 3.810 0 40 IHAB CCCOC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(C)cc2C)cc1 408665038 SFMMSJJNLWQIOU-UHFFFAOYSA-N 440.496 3.771 0 40 IHAB COC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)c2ccccc2)cc1 408667538 VQTMITCHORFHOF-YHDSQAASSA-N 435.476 3.500 0 40 IHAB O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)NCCSCc1ccco1 408702250 AKQYINWEOPMZLQ-UHFFFAOYSA-N 430.551 3.771 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 408915369 ZWOUNOCRGIPVKL-UHFFFAOYSA-N 445.324 3.575 0 40 IHAB COc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC(=O)O 409238327 WXRDTOBBYUMJTI-VGOFMYFVSA-N 437.235 3.563 0 40 IHAB O=C1c2ccccc2N2C(=O)CC[C@]2(C(=O)NCCc2ccsc2)N1Cc1ccccc1 546836479 OLVPWHLQNUOCPF-VWLOTQADSA-N 445.544 3.586 0 40 IHAB CC(=O)c1oc2cc(C)ccc2c1CC(=O)Nc1cccc(C(=O)N2CCC(O)CC2)c1 557887153 ITLRIYVWWOUKHT-UHFFFAOYSA-N 434.492 3.722 0 40 IHAB Cc1c(C(=O)N2CCC[C@@H]2c2cccc3c2OCCO3)nnn1-c1cccc2cccnc12 596975685 FIYMTJPBINGHAJ-LJQANCHMSA-N 441.491 3.872 0 40 IHAB O=C(O)CCc1ccc2c(c1)CN(Cc1ccc(F)c(F)c1)CC(=O)NCCCCCO2 643571621 HKWURIGYWQOKOZ-UHFFFAOYSA-N 446.494 3.663 0 40 IHAB O=C(NCCC1(O)CCN(Cc2ccccc2)CC1)c1c[nH]nc1-c1ccccc1Cl 1643630242 HFJADBSPQDTVMO-UHFFFAOYSA-N 438.959 3.877 0 40 IHAB CS(=O)(=O)c1ccc(CCC(=O)NC[C@@H](O)c2ccc(-c3cccs3)s2)cc1 1775966400 BRCWFOZEEQSQET-MRXNPFEDSA-N 435.592 3.663 0 40 IHAB Cc1c(Cl)ccc2sc(N3CCN(c4cncc(-c5cnn(C)c5)n4)CC3)nc12 2298243933 XYDGREACPYIQLR-UHFFFAOYSA-N 425.949 3.775 0 40 IHAB Cn1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)c2ccccc21 1008678 CEEURQRLTSOCDH-UFWORHAWSA-N 435.461 3.582 0 40 IHAB CCN1C(=O)[C@](O)(CC(=O)c2cc(Br)c(Br)o2)c2ccccc21 1320427 FLZCQFRDCUJWDJ-INIZCTEOSA-N 443.091 3.632 0 40 IHAB COc1ccccc1NC(=O)Cn1nnc2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3 1321052 WNGOPCLCAAPWNW-CYBMUJFWSA-N 426.542 3.651 0 40 IHAB O=C(COC(=O)COc1ccc(Cl)cc1)Nc1ccc(I)cc1 3235456 SBXGXHGVUWFACU-UHFFFAOYSA-N 445.640 3.505 0 40 IHAB COCCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1ccc(Cl)c(Cl)c1 3640223 XOKTVGGSISHFEP-INIZCTEOSA-N 429.325 3.833 0 40 IHAB COc1ccc(-n2c(S[C@H](C)C(=O)NC(C)C)nnc2[C@@H](C)N2CCCCC2)cc1 8132732 DNMRWDXJIFDNDT-IAGOWNOFSA-N 431.606 3.828 0 40 IHAB COc1ccc(NC(=O)CCc2c(C)c3ccc(OC(C)=O)c(C)c3oc2=O)cc1OC 9134711 OIPGVVGVOODKME-UHFFFAOYSA-N 439.464 3.924 0 40 IHAB COc1ccc(-c2nnn(C3CCN(C(=O)Nc4ccc(Cl)cc4)CC3)n2)cc1OC 9226797 CQJFHVLSVHHHNP-UHFFFAOYSA-N 442.907 3.880 0 40 IHAB Cc1ccc(OCCCC(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)cc1 9256959 MOAHOFUYVOSLOK-UHFFFAOYSA-N 442.581 3.918 0 40 IHAB CCOc1cc(N2CCOCC2)c(OCC)cc1NS(=O)(=O)c1ccc2c(c1)CCC2 9352306 DWCSEQQCQVMMDN-UHFFFAOYSA-N 446.569 3.610 0 40 IHAB Cc1ccc(-c2cc(-c3nnc(SCC(=O)Nc4ccc(C)cc4C)n3N)[nH]n2)cc1 9453600 POFTVJFECFDQTG-UHFFFAOYSA-N 433.541 3.705 0 40 IHAB C[C@@H]1CN(c2ccc(Cl)cc2)c2nc3c(c(=O)n(CCc4ccccc4)c(=O)n3C)n2C1 9519080 XNXOWZKFFHLGHK-MRXNPFEDSA-N 449.942 3.581 0 40 IHAB Cc1nnc2c(N3CCN(c4ccccn4)CC3)nc3ccc(C(=O)c4ccccc4)cc3n12 9561357 KESISZBJXYKDNM-UHFFFAOYSA-N 449.518 3.539 0 40 IHAB CCCn1c(SCC(=O)NCc2cccc(OC)c2)nc2c(oc3ccccc32)c1=O 9751852 SSSOLBIAXNJCKW-UHFFFAOYSA-N 437.521 3.970 0 40 IHAB CC(C)(C)OC(=O)N1CCN(C(=O)NCc2ccc(COCC(F)(F)F)cc2)CC1 9757067 MBUOUGHPJZJXOD-UHFFFAOYSA-N 431.455 3.528 0 40 IHAB CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OCc1ccc(Br)cc1 9761883 KVWCDUYWHRXKSB-UHFFFAOYSA-N 447.260 3.890 0 40 IHAB O=C(CSc1nnc(N2CCOCC2)n1-c1cccc(F)c1)c1cc2ccccc2o1 9783822 YGKVJIGWCZBFBK-UHFFFAOYSA-N 438.484 3.964 0 40 IHAB COCCn1c(SCC(=O)Nc2nc(C)cs2)nnc1-c1c[nH]c2ccccc12 11024747 UEBWUZQADHBAFY-UHFFFAOYSA-N 428.543 3.569 0 40 IHAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 11067628 XQTWBTVXINTTNZ-ZDUSSCGKSA-N 449.338 3.628 0 40 IHAB CCc1n[nH]c(C(=O)N2CCC(c3nc(NC4CC4)ncc3-c3cc(C)no3)CC2)c1C 12087421 UBOKTJAISODRJN-UHFFFAOYSA-N 435.532 3.628 0 40 IHAB COC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@H]1c1ccc(Cl)cc1 12515517 NSECFHMUIPAZIM-IBGZPJMESA-N 430.913 3.994 0 40 IHAB COc1cccc([C@H](C(=O)NC(C)(C)C)N(Cc2ccccc2)C(=O)c2csnn2)c1 12638689 XHYYBAARHGYSNJ-HXUWFJFHSA-N 438.553 3.845 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2c(-c3ccccc3)nc3c(C)cccn23)cc1 12746264 LESFWDBHEPWUHD-UHFFFAOYSA-N 448.548 3.877 0 40 IHAB O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCC3)NCc1ccccc1OC(F)(F)F 12863966 JYXZCNAIXDEJBB-UHFFFAOYSA-N 437.443 3.621 0 40 IHAB CC[C@@H](c1nnc(SCc2nnnn2-c2ccccc2)n1Cc1ccccc1)N(C)C 12880079 NXTVVUXXVYJXLW-IBGZPJMESA-N 434.573 3.607 0 40 IHAB COc1ccc2[nH]cc(CCNC(=O)Cc3c(C)c4ccc(OC)c(C)c4oc3=O)c2c1 12893485 VOGHCPMMMYEQHT-UHFFFAOYSA-N 434.492 3.810 0 40 IHAB biogenic O=S(=O)(c1cccc(F)c1)N1CCN(Cc2ncc(-c3ccc(Cl)cc3)o2)CC1 12985977 QOKFGQRVZMZFRZ-UHFFFAOYSA-N 435.908 3.641 0 40 IHAB O=C(CCCc1c[nH]c2ccccc12)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 13037769 PXPVTGQTQBIJGN-LJQANCHMSA-N 444.535 3.935 0 40 IHAB CC1(C)CC(=O)c2ccc(OCC(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)cc2O1 13655378 JNIWHZROVYQQFQ-UHFFFAOYSA-N 443.927 3.973 0 40 IHAB COCCn1c(-c2cccc(S(=O)(=O)N3CCCC3)c2)cs/c1=N\c1ccccc1 13751417 FBOASDYNLUXWQT-FCQUAONHSA-N 443.594 3.880 0 40 IHAB CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 14117105 ZWYPTEPVUHRMLF-VQTJNVASSA-N 443.613 3.842 0 40 IHAB O=C(OCc1nc2ccccc2n1C(F)F)C1CCN(S(=O)(=O)c2ccccc2)CC1 14121335 XVSUWPKVCUZNKR-UHFFFAOYSA-N 449.479 3.576 0 40 IHAB Cc1cc(O[C@H](C)C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc(C)c1Cl 14399990 UFLGEELBFZWKLB-QGZVFWFLSA-N 430.932 3.797 0 40 IHAB CCC1=Nc2ccccc2N=C(NC(=O)CSc2nnnn2C)[C@@H]1c1ccc(F)cc1 14608085 QUYQIIULGWNUNJ-LJQANCHMSA-N 437.504 3.568 0 40 IHAB COC(=O)C1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cc(OC)ccc2OC)CC1 14890309 NQXVVZMOMNVEBN-UHFFFAOYSA-N 449.507 3.582 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 14908920 UBRZEASFJUOOQY-UHFFFAOYSA-N 436.917 3.554 0 40 IHAB O=C(NC[C@@H](c1cccs1)N1CCCC1)c1cc(-c2ccc3c(c2)OCCO3)on1 15859660 MUCOJFNPVCKEBZ-KRWDZBQOSA-N 425.510 3.741 0 40 IHAB COCCN(CCOC)C(=O)COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl 16461535 RTFJVXGHIALUSR-UHFFFAOYSA-N 445.899 3.614 0 40 IHAB COc1ccc([C@H](NC(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)c2nccn2C)cc1 16476409 LSNUDLYTTLOCRL-UPVQGACJSA-N 430.508 3.599 0 40 IHAB CC(=O)c1ccc(NC(=O)CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2C)cc1 16840880 SZRCLUCEDCGQIT-UHFFFAOYSA-N 432.505 3.862 0 40 IHAB O=C1[C@@H]2[C@H](C(=O)N1c1cccc(Br)c1)[C@H](c1ccc(Cl)cc1)N1CCCN21 19171581 OQJKGILEFIBHHE-SQNIBIBYSA-N 446.732 3.638 0 40 IHAB O=C(c1cccc(F)c1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(CC1CCCCC1)CC2 19293542 KHQJABSVCBTSBE-JOCHJYFZSA-N 438.547 3.825 0 40 IHAB COc1ccc(CC(=O)N2CCC[C@@H]2c2nc(N(C)C)ncc2-c2ccncc2)cc1F 19585291 VOQDQMWMMJSAHR-HXUWFJFHSA-N 435.503 3.659 0 40 IHAB CN1CCO[C@@H](c2c(C(=O)NCc3nc(Cc4ccccc4)no3)sc3ccccc23)C1 19696679 SDWWRVKFVOWDEY-GOSISDBHSA-N 448.548 3.808 0 40 IHAB Cc1nc([C@H]2CCCCN2c2ncccn2)nc2c1CCC(=O)N2CCc1ccccc1 19740908 RVXDHSHNLVNGQZ-OAQYLSRUSA-N 428.540 3.829 0 40 IHAB Cc1nc([C@@H]2CCCN2C(=O)c2c(C)nc3c(C)cccn23)ncc1C(=O)N1CCCCC1 19756158 HQHSNNDFSKJMRA-FQEVSTJZSA-N 446.555 3.653 0 40 IHAB COc1ccccc1NC(=O)c1ccc(C2CCN(C(=O)c3ccccc3)CC2)nc1N 19766020 GSZRHKHZPATDPK-UHFFFAOYSA-N 430.508 3.945 0 40 IHAB COc1cc(Cl)c(C)cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(C)=O)N1C=Cc3ccccc3[C@@H]21 20438471 ZXOODZDVQKLXTF-MBDNFAEBSA-N 436.895 3.761 0 40 IHAB CS(=O)(=O)N(Cc1ccccc1F)c1ccc(OCC(=O)Nc2ccccc2F)cc1 22233521 MUPQXHCTKYBJFV-UHFFFAOYSA-N 446.475 3.949 0 40 IHAB COc1ccc(Cl)cc1NC(=O)Nc1cc(N2CCCS2(=O)=O)ccc1OC 22506175 APRQHZJXFXGHEM-UHFFFAOYSA-N 425.894 3.541 0 40 IHAB O=C(NCC(=O)N1CCN(Cc2ccc(Cl)s2)CC1)c1ccc2ccccc2c1 23640550 XSFXTTGOXHGGJO-UHFFFAOYSA-N 427.957 3.629 0 40 IHAB COc1ccc([C@H](CNC(=O)c2sc(-c3cccs3)nc2C)N2CCOCC2)cc1 23956252 QLRCCAHHVQTAQG-SFHVURJKSA-N 443.594 3.992 0 40 IHAB Cc1ccc(C)c(N2CCN([C@H](c3ccncc3)c3nnnn3Cc3ccccc3)CC2)c1 26438938 NZQGUKZJPGMDTA-RUZDIDTESA-N 439.567 3.645 0 40 IHAB CCc1nn2c(=O)cc(CNc3ccc(C(=O)Nc4ccccc4OC)cc3)nc2s1 26798199 WDCXNARGASVZCF-UHFFFAOYSA-N 435.509 3.586 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N(C)Cc3nccn3C(F)F)cc2)cc1 31151568 DHOZFGCHVHEFCQ-UHFFFAOYSA-N 448.495 3.684 0 40 IHAB CCc1c(C)sc2c1c1nc(-c3ccncc3)nn1c(=O)n2CC(=O)c1ccccc1 31819912 WFKQULQQBCARAV-UHFFFAOYSA-N 429.505 3.921 0 40 IHAB Cc1ccc(S(=O)(=O)N[C@H](CCSc2nc3ncccn3n2)c2ccccc2)cc1 32865486 UJTUPIDCFUKEIO-LJQANCHMSA-N 439.566 3.635 0 40 IHAB CN(C)[C@@H](CNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccco1 33024252 UOCIFMDWKQNPCF-IBGZPJMESA-N 447.944 3.767 0 40 IHAB O=C(CN1CCN(c2ccc(O)cc2)CC1)N[C@@H](c1ccc(F)cc1)c1cccs1 35388258 JGAWJLZMYKWVMP-QHCPKHFHSA-N 425.529 3.621 0 40 IHAB O=c1[nH]c(O)c(C2=Nc3ccccc3N[C@@H](c3c[nH]nc3-c3ccccc3)C2)c(=O)s1 36621362 STVWBHOOPSQOPX-MRXNPFEDSA-N 431.477 3.570 0 40 IHAB CNC(=O)C1CCC(NC(=O)c2cn(-c3ccc(C)cc3)nc2-c2cccc(OC)c2)CC1 58050163 PZHVRINGQNPOCL-UHFFFAOYSA-N 446.551 3.891 0 40 IHAB CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)C(=O)c1c(C)nn(C)c1C 58574972 GSEJVKZUMVDOAP-UHFFFAOYSA-N 441.509 3.772 0 40 IHAB COc1ccccc1N1CCN(C(=O)Nc2ccc(N3CCSCC3)cc2C)CC1 65378465 PQJVPGFDDVTREW-UHFFFAOYSA-N 426.586 3.911 0 40 IHAB COc1cc(OC)cc(-c2nc3c4ccccc4n(CC(=O)c4ccccc4)c(=O)n3n2)c1 65535104 PRMOBMZVAOVZKN-UHFFFAOYSA-N 440.459 3.611 0 40 IHAB CSc1ccc([C@H]2NC(=O)N(CC(=O)Nc3cccc(C)c3C)C3=C2C(=O)OC3)cc1 71326883 YRNNQIDQOLTBJH-OAQYLSRUSA-N 437.521 3.541 0 40 IHAB O=C(O)[C@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1cccc(C(F)(F)F)c1 71980627 QCHSKSXIISNLHP-LJQANCHMSA-N 448.441 3.623 0 40 IHAB Cc1cc(C(C)(C)C)oc1C(=O)N1CCC2(CC1)C[C@@]1(CO2)NC(=O)c2ccccc2N1 72325322 XSPVIBCAOOJDQZ-VWLOTQADSA-N 437.540 3.832 0 40 IHAB CCOc1ccc(C(=O)OCC(=O)NCc2ccc(Br)cc2)cc1OCC 72333873 AFPQLPULWPZYBR-UHFFFAOYSA-N 436.302 3.720 0 40 IHAB C/C(=C\c1ccccc1)CNCCc1nc(-c2ccccc2)ncc1C(=O)N1CCOCC1 72352097 PJTYXBUHGVKCMP-DYTRJAOYSA-N 442.563 3.852 0 40 IHAB COC(=O)[C@H]1Oc2cc(C)oc(=O)c2[C@@H]1c1ccc(OCc2ccccc2F)c(OC)c1 85413723 ZXSALKBICOOSPM-UNMCSNQZSA-N 440.423 3.741 0 40 IHAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 219259239 CSTAIHGYYCCUSH-AEFFLSMTSA-N 448.610 3.876 0 40 IHAB CCOc1ccccc1CCCNC(=O)[C@@H](CC)N(c1ccccc1F)S(C)(=O)=O 220602823 GYHLLFIZRWSKLJ-LJQANCHMSA-N 436.549 3.518 0 40 IHAB CCNC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)ccc1OC 223326498 SQDMEWDEAXPHPZ-INIZCTEOSA-N 448.585 3.925 0 40 IHAB CC(C)c1ccc(CCCNC(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1 223989761 UNIUCYDUCOGDQL-GOSISDBHSA-N 432.586 3.722 0 40 IHAB Cc1ccc(C(=O)NCCCOC2CCCC2)cc1N(C)S(=O)(=O)c1ccccc1 224301172 HTIPNZRQYQYYRK-UHFFFAOYSA-N 430.570 3.899 0 40 IHAB COc1ccc(C(=O)NC2CCCC2)cc1CN(C)S(=O)(=O)c1ccc(Cl)cc1 224787611 KPLILSLQGCZJOL-UHFFFAOYSA-N 436.961 3.842 0 40 IHAB CCC1(CC)C[C@@H](NC(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)c2ccccc2O1 225016349 KDONXMVPWHGFJW-HXUWFJFHSA-N 446.569 3.660 0 40 IHAB CCn1c(=O)sc2cc(S(=O)(=O)NCCCc3cccc(OC(C)C)c3)ccc21 225696138 BVKUIEQUPBTGHA-UHFFFAOYSA-N 434.583 3.781 0 40 IHAB CC[C@H](NC(=O)CN(c1ccc(OC(C)C)cc1)S(C)(=O)=O)c1ccc(OC)c(C)c1 225800820 KABUCDFBKWAQFL-NRFANRHFSA-N 448.585 3.824 0 40 IHAB O=C(C[C@@]1(COc2cccc(Cl)c2)CCCN(C(=O)c2cc[nH]n2)C1)N1CCCCC1 257325807 WUMZCGLKGNECMS-QHCPKHFHSA-N 444.963 3.767 0 40 IHAB O=C(Cc1ccccc1Br)NC1CCN(c2nc3cccnc3s2)CC1 390827234 FUZOMTUPPPAYDH-UHFFFAOYSA-N 431.359 3.782 0 40 IHAB COc1cc(/C=C2\S[C](Nc3ccc(Cl)cc3C)NC2=O)ccc1OCC(=O)O 408804255 DVIHEUPEBUDZOL-UHFFFAOYSA-N 433.893 3.883 0 40 IHAB CCOc1cc(/C=C2/NC(=O)NC2=O)cc(Br)c1OCc1ccccc1F 408918459 KTCOHUGMUWUDMR-OVCLIPMQSA-N 435.249 3.746 0 40 IHAB COc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(C)cc3)[C@H]2c2ccc(Cl)cc2)cc1 409059135 PRNDNAUDSLZJGG-VNGKGULCSA-O 448.930 3.673 0 40 IHAB CCOc1cc(C(=S)N2C[C@@H](C)O[C@H](C)C2)ccc1OCC(=O)Nc1ccccc1 409231013 HODBMBHFFMYNPT-IAGOWNOFSA-N 428.554 3.888 0 40 IHAB O=C1C[C@@H](Sc2n[nH]c(Cc3ccccc3)n2)C(=O)N1c1ccc(Br)cc1 618255309 VWRMAKNXVPCLAJ-OAHLLOKOSA-N 443.326 3.582 0 40 IHAB O=C1NCCN(C(=O)c2ccccn2)CCOc2ccc(C3CC3)cc2Cc2cccc1c2 643568834 LXWPMWNPMJMBMF-UHFFFAOYSA-N 441.531 3.814 0 40 IHAB COCC(=O)N1CCCCCCCN(CC2CCOCC2)Cc2cc(C(=O)O)ccc21 643583077 PEGMYKHFFDLXED-UHFFFAOYSA-N 432.561 3.557 0 40 IHAB Cc1cccc(C(=O)N2CCC3(CC2)[C@@H](C(=O)N(C)C)c2ccccc2C(=O)N3C(C)C)c1 1549167956 SASNLFGLXKNSMJ-HSZRJFAPSA-N 447.579 3.706 0 40 IHAB Cn1cc(CC(=O)N2C[C@@H](c3cccc(F)c3)[C@@]3(CCCCC(=O)N3)C2)c2ccccc21 1848352571 HXZCKJWWWQBLHE-BKMJKUGQSA-N 433.527 3.915 0 40 IHAB COc1cccc(NC(=O)N2CC[C@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@@H]32)c1OC 1889197940 ZTJZDHQYUVLLEP-BBRMVZONSA-N 436.434 3.860 0 40 IHAB O=C(C[C@]1(COc2ccccc2)CCCN(C(=O)CCC2CCCC2)C1)N1CCOCC1 2037905424 CXVRMSXHUPPRDY-AREMUKBSSA-N 442.600 3.894 0 40 IHAB CC[C@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(C)cc2)n1)c1ccccc1 903477 OVCTVPKUAVEXPK-JOCHJYFZSA-N 446.555 3.519 0 40 IHAB COC(=O)c1ccc(NC(=O)COC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1 2652012 XYMOMYYIHUWTPK-UHFFFAOYSA-N 449.459 3.856 0 40 IHAB COc1cccc(Nc2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccccc23)c1 2692141 PWFOQWONFBMAMY-UHFFFAOYSA-N 431.477 3.863 0 40 IHAB COc1cc(CCC(=O)OCC(=O)Nc2nc3ccc(C)cc3s2)cc(OC)c1OC 3243877 WVOQWBLYACZLPF-UHFFFAOYSA-N 444.509 3.745 0 40 IHAB C[C@H](OC(=O)CNC(=O)c1cccc(F)c1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 3319469 ALYBOLRGUAPOFG-JTQLQIEISA-N 446.784 3.798 0 40 IHAB CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(Br)cc2F)C1=O 3362492 KJKOAOMETJYUIJ-FQEVSTJZSA-N 448.292 3.774 0 40 IHAB COc1ccc(-c2nc(NC(=O)c3cccc(S(=O)(=O)N(C)C)c3)sc2C)cc1 3554307 HQWDWNSHDOWGES-UHFFFAOYSA-N 431.539 3.630 0 40 IHAB CCCC[C@H](CC)CNC(=O)CCCn1c(=O)[nH]c2ccc(Br)cc2c1=O 4791704 NEKJNZOQJHOHEA-AWEZNQCLSA-N 438.366 3.565 0 40 IHAB CCN1CCC[C@H]1CN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)NCc1ccccc1 8617339 BRJIZRMLCXFHJL-QFIPXVFZSA-N 448.567 3.733 0 40 IHAB C[C@@H](Sc1nccn1-c1ccc(Br)cc1)C(=O)Nc1ccc(C(N)=O)cc1 8746494 ZWGGDJUESIITRL-GFCCVEGCSA-N 445.342 3.853 0 40 IHAB COc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(Br)cc2)cc1 8843862 DFFRAXAKLOZDMK-KRWDZBQOSA-N 432.343 3.889 0 40 IHAB CSc1nc(N2CCCC2)c2cnn(CCNC(=O)c3cccc4ccccc34)c2n1 8946653 AFZXMRVSORHJFY-UHFFFAOYSA-N 432.553 3.732 0 40 IHAB O=C1c2ccccc2C(=O)N1CCCCn1nnc2sc(-c3ccccc3)cc2c1=O 9206845 CVRIHDJVGCNXGH-UHFFFAOYSA-N 430.489 3.596 0 40 IHAB COc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2ccc(F)c(Cl)c2)cc1 9236728 POOQXEMQTBWHRC-IRXDYDNUSA-N 433.896 3.785 0 40 IHAB COc1cccc([C@H]2OCC(C)(C)n3c(-c4ccccc4)c4c(=O)n(C)c(=O)n(C)c4c32)c1 9253881 PSJDFTLNXCUPHY-HSZRJFAPSA-N 445.519 3.569 0 40 IHAB COc1ccc(Nc2nc(COC(=O)C[C@H]3Oc4ccccc4NC3=O)cs2)cc1 9428967 VTWUTHZXDQKRQD-GOSISDBHSA-N 425.466 3.728 0 40 IHAB O=C(NCCC1=CCCCC1)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 9460266 UWJCBTMBZIELHQ-UHFFFAOYSA-N 445.507 3.612 0 40 IHAB Cc1c(Cl)cccc1NC(=O)CNC(=O)C1CCN(C(=O)Nc2ccccc2)CC1 9494095 NOGQKRLQQCHMBT-UHFFFAOYSA-N 428.920 3.647 0 40 IHAB COc1cc(-c2nnc(SC3=CS(=O)(=O)c4ccccc43)o2)cc(OC)c1OC 9614868 FXCNUMSNEBCAOH-UHFFFAOYSA-N 432.479 3.640 0 40 IHAB O=C(NCCc1c[nH]c2ccccc12)c1cccc(S(=O)(=O)NCc2ccccc2)c1 9643181 WINMKIFCFATKCU-UHFFFAOYSA-N 433.533 3.619 0 40 IHAB COc1ccc(NC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3Cc2ccccc2)cc1 9669745 CDJACBAFJBDSID-SANMLTNESA-N 441.487 3.813 0 40 IHAB COc1ccc2nc(-c3ccc(OC)c(NC(=O)c4c(OC)cccc4OC)c3)cn2n1 11693453 QMXAANNSQIFIFM-UHFFFAOYSA-N 434.452 3.683 0 40 IHAB C[C@@H](OC(=O)CCn1c(=O)n(C)c2ccccc21)C(=O)Nc1ccccc1-c1ccccc1 11962807 WXAVILHNQGNHPZ-GOSISDBHSA-N 443.503 3.968 0 40 IHAB Cc1ncc(-c2ccccn2)c(-c2ccc(CNC(=O)CN3CCCCCC3=O)cc2)n1 12257183 QYRHJYQTWWJZSA-UHFFFAOYSA-N 429.524 3.533 0 40 IHAB CCCN([C@@H](C)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc2oc(=O)ccc2c1 12756634 CWWDOYWGYCXUSN-AWEZNQCLSA-N 448.928 3.874 0 40 IHAB COc1ccc(-c2csc3nc(C)nc(N4CCN(c5cnccn5)CC4)c23)cc1OC 12779814 DZPSDBCCLRZVSH-UHFFFAOYSA-N 448.552 3.801 0 40 IHAB CNS(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccc(C)s3)nc3onc(C)c23)cc1 12897150 WPYLHYYMMCCGLH-UHFFFAOYSA-N 442.522 3.729 0 40 IHAB Cc1c(C(=O)N(C)CCOc2ccccc2F)sc2nc(-c3ccco3)[nH]c(=O)c12 12933533 JIUPWLGDXQHJEK-UHFFFAOYSA-N 427.457 3.843 0 40 IHAB O=C(Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1)[C@@H]1CCS(=O)(=O)C1 13001461 OLABGXPSEWQKLP-SECBINFHSA-N 438.880 3.779 0 40 IHAB CCn1c(SCC(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)nnc1C1CC1 13164138 YJWTWCWUAOICJL-HXUWFJFHSA-N 430.574 3.942 0 40 IHAB COCCn1nnnc1[C@@H](c1ccc(C)cc1)N1CCN(c2cc(Cl)ccc2C)CC1 13504224 CWPCNYWTBZTNJL-JOCHJYFZSA-N 440.979 3.501 0 40 IHAB COc1cc([C@H]2CC(=O)Nc3nc(SCc4ccccc4Cl)[nH]c(=O)c32)ccc1O 13567308 FVSPZYVBOMZVIT-CYBMUJFWSA-N 443.912 3.904 0 40 IHAB CC[C@H](C(=O)N1CCN(c2ccc(-c3ccc4c(c3)OCO4)nn2)CC1)c1ccccc1 13658906 BMXMQILZSCNEEG-FQEVSTJZSA-N 430.508 3.715 0 40 IHAB CCOc1ccccc1CCCNC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 13668718 KPSLXDJAARMOBN-UHFFFAOYSA-N 432.586 3.724 0 40 IHAB CC1CCN(CCCNC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)CC1 13675517 RXAZDXHQXNNPOG-XMMPIXPASA-N 441.597 3.906 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2cc3ccccc3cc2OC)cc1 14198460 WKLFAOHMOLADIC-UHFFFAOYSA-N 426.538 3.809 0 40 IHAB CCCn1c(=O)c2ccccc2n2c(SCCCc3nc(-c4ccncc4)no3)nnc12 14901813 JCLURTFOMCFDJY-UHFFFAOYSA-N 447.524 3.624 0 40 IHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)OCc1nc(N)nc(Nc2ccc(F)cc2)n1 16581580 PUEOVPYUZCITNZ-UHFFFAOYSA-N 431.855 3.891 0 40 IHAB CSCC[C@H](NC(=O)COc1ccc2c(C)cc(=O)oc2c1)c1nc2ccccc2[nH]1 16645732 QENMWMVAHKFVFL-IBGZPJMESA-N 437.521 3.967 0 40 IHAB biogenic Cc1cc(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)n(-c2nc3ccccc3s2)n1 16851009 PGZJNFCGCCQYRY-UHFFFAOYSA-N 431.477 3.696 0 40 IHAB CC(C)NC(=O)NC(=O)[C@@H](C)OC(=O)c1c(-c2ccccc2)csc1NC(=O)C1CC1 16921047 FSBDTLVMXHGUMX-CYBMUJFWSA-N 443.525 3.543 0 40 IHAB Cc1cccc(-c2ccc(C[C@@]3(C(N)=O)CN(C(=O)Cc4ccccc4)CCO3)cc2)c1 19235363 NYASKETXONXZLO-MHZLTWQESA-N 428.532 3.530 0 40 IHAB Cc1nc(N(C)C)ncc1C(=O)N1CCC[C@@H](c2ccc(Cc3cccc(F)c3)cn2)C1 19690351 KSWGXNBOBQBEMR-HXUWFJFHSA-N 433.531 3.996 0 40 IHAB CCOC(=O)[C@@](NCCc1ccccc1)(NC(=O)c1ccccc1Cl)C(F)(F)F 19938839 QBVAMSQCACEPOM-LJQANCHMSA-N 428.838 3.724 0 40 IHAB CC(C)Oc1ccc(CNC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)cc1 20485812 NMSWRPDDHSRFRB-UHFFFAOYSA-N 430.570 3.720 0 40 IHAB CCNc1nc(N2CCN(c3ccccn3)CC2)nc2c1C(=O)C[C@@H](c1ccccc1)C2 20801850 IMFGZQKIWJKGRI-IBGZPJMESA-N 428.540 3.543 0 40 IHAB CCOC(=O)c1cnn(-c2cc(C)nc3c(-c4ccc(C)cc4)c(C(F)(F)F)nn23)c1N 21799388 AYJSOFHEGSDADS-UHFFFAOYSA-N 444.417 3.977 0 40 IHAB CCCNS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2cc(C)c(C)cc2C)c(C)c1 22537316 PIYWYGHLJJBYQI-LJQANCHMSA-N 432.586 3.865 0 40 IHAB O=C(COc1ccc2oc3c(c2c1)CCCC3)N1CCN(Cc2ccc3c(c2)OCO3)CC1 23230400 FHCCVUVRMLGWKL-UHFFFAOYSA-N 448.519 3.764 0 40 IHAB Cc1ccc(SCCNC(=O)C2CCN(S(=O)(=O)Cc3cccc(C)c3)CC2)cc1 24611918 BNHGKWRUNROWSY-UHFFFAOYSA-N 446.638 3.754 0 40 IHAB COc1ccc([C@H](CNC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)N(C)C)cc1 28932340 ZOMANXYAYBGNLA-HKUYNNGSSA-N 433.961 3.571 0 40 IHAB CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](C)c1cccc2ccccc12 32201039 ZNGKWUQOGZKWMW-AOMKIAJQSA-N 435.549 3.780 0 40 IHAB O=C(CSc1nnc(CN2CCCC2)n1-c1ccccc1)N[C@H]1CCOc2ccccc21 32745308 VKEWIOODNFFJEI-FQEVSTJZSA-N 449.580 3.595 0 40 IHAB C[C@@H](Sc1nnc(N2CCCCC2)n1Cc1ccco1)C(=O)N1CCc2ccccc21 32883740 WPYNVEWCTFHKES-QGZVFWFLSA-N 437.569 3.980 0 40 IHAB O=C(/C=C/c1ccc(Br)o1)NCCN1C(=O)S/C(=C/c2ccccc2)C1=O 33467034 BIWCMAGUIKXBMF-KDFHGORWSA-N 447.310 3.908 0 40 IHAB CC1=NN(c2ccc(C(=O)N3CCC(C(=O)NCCc4ccccc4F)CC3)cc2)CC1 40142365 KAUATIRDMNTPKR-UHFFFAOYSA-N 436.531 3.623 0 40 IHAB C[C@H]1CN(C(=O)C2CCN(C(=O)Nc3cccnc3Oc3ccccc3)CC2)C[C@@H](C)O1 58305286 QVOZTSZOTHUJIZ-HDICACEKSA-N 438.528 3.754 0 40 IHAB COc1ccc(CC(=O)N2CCN(Cc3ccccc3)C[C@H](Cc3ccccn3)C2)cc1 72355165 UGHFDYOCMIZTAB-DEOSSOPVSA-N 429.564 3.836 0 40 IHAB COc1ccc(S(=O)(=O)C2CCN(C(=O)COc3ccc(C(C)C)cc3)CC2)cc1 96376193 OPCMAVVYEBFWEU-UHFFFAOYSA-N 431.554 3.662 0 40 IHAB CCOC(=O)c1ccc(NC(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)cc1 96820575 PVDLRSCIVWWGOG-HMMYKYKNSA-N 429.436 3.747 0 40 IHAB Cc1noc(CCC(=O)NC[C@H]2CC[C@H](c3cc(C(=O)N(C)C)c4ccccc4n3)CC2)n1 100658032 GWGNBYZPZPWYTB-HDICACEKSA-N 449.555 3.651 0 40 IHAB O=C(/N=c1\c2c3c(sc2nc2n1CCCCC2)CCCC3)[C@@H]1COc2ccccc2O1 103454029 RPJBLZPSRUHYQZ-VKWSUVGGSA-N 435.549 3.970 0 40 IHAB CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1[C@H](C)NC(=O)c1ccccc1C 107702344 HZMQNRRSXJBDAK-HNNXBMFYSA-N 441.532 3.967 0 40 IHAB CCOC[C@@]1(C(N)=S)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(OC)cc1 218126667 ZRBWAJFJOXJGTB-BJLQDIEVSA-N 439.986 3.597 0 40 IHAB Cc1ccc(OC[C@@H](C)NC(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 219636356 WFVGNYYOFPGSMW-QGZVFWFLSA-N 438.977 3.778 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@H](C)N(c2ccc(CC)cc2)S(C)(=O)=O)c(C)c1 220285714 ZIUJCWNUNWLTBF-INIZCTEOSA-N 432.542 3.527 0 40 IHAB CS(=O)(=O)N(CCCC(=O)Nc1ccc(Br)cc1)c1ccccc1F 222650451 GZMHGEAHUXABTA-UHFFFAOYSA-N 429.311 3.773 0 40 IHAB CC(C)Oc1cccc(N(CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)S(C)(=O)=O)c1 222984337 VGQAUFNJTJTVOO-SFHVURJKSA-N 444.597 3.996 0 40 IHAB CC(C)c1ccccc1OCCNC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 223797690 QLDMSUMARZKTCI-UHFFFAOYSA-N 440.565 3.779 0 40 IHAB CCCc1ccc(OCCNC(=O)CCCN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 224055150 DRZBNWTYAVKUGE-UHFFFAOYSA-N 446.613 3.997 0 40 IHAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc2c(c1)OCCO2 224310794 FOULTFKRBIXSEK-GOSISDBHSA-N 442.531 3.719 0 40 IHAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NC[C@H](C)c2ccccc2)cc1OC 225139502 MTSFIWNIZKFRQV-SZHLLGMXSA-N 434.492 3.988 0 40 IHAB CC[C@@H](NC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O)c1ccc(OC)c(C)c1 225649711 SGNLORFNJGLBEF-AUUYWEPGSA-N 440.512 3.704 0 40 IHAB Cc1ccc(NC(=S)NCc2ccccc2CN2CCCC2=O)cc1N1CCCC1=O 225653052 XGRPBWQJJDQMEY-UHFFFAOYSA-N 436.581 3.731 0 40 IHAB O=C(c1cccc(Cn2ccnc2)c1)N1CCOC[C@H](Cc2ccc3ncccc3c2)C1 257200876 AFFBGQYBWMXITI-JOCHJYFZSA-N 426.520 3.811 0 40 IHAB CNC(=O)c1sc2nc([C@@H]3CCCCN3C(=O)Cc3ccc(F)cc3)ccc2c1N 257317059 VIEKGYVHQPPHQQ-KRWDZBQOSA-N 426.517 3.674 0 40 IHAB O=C(NCc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 408709985 KDYVKIUHBDPFEM-UHFFFAOYSA-N 435.911 3.567 0 40 IHAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2Br)cc1 409206936 RIVURHBRIIHKTQ-ZDUSSCGKSA-N 441.347 3.543 0 40 IHAB O=C(Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1)NCC1(c2ccc(F)cc2F)CC1 534951203 MSIGHCUIUCQPMB-UHFFFAOYSA-N 447.425 3.691 0 40 IHAB O=C1NCCN(C(=O)CCCOc2cccc(F)c2)[C@H]1Cc1cccc(-c2cccnc2)c1 585168985 BRQYQWWXBABZDV-DEOSSOPVSA-N 447.510 3.616 0 40 IHAB CS(=O)(=O)N1CC[C@@H](Cc2ccc(Nc3ncc(-c4ccc(F)cc4)s3)nc2)C1 585262999 TTWSUTYOMURUMW-HNNXBMFYSA-N 432.546 3.912 0 40 IHAB OC1(COc2ccccc2F)CCN(Cc2cccc(OCCN3CCCC3)c2)CC1 585278999 BLPSQXFISMQEBH-UHFFFAOYSA-N 428.548 3.706 0 40 IHAB COc1ccc(C(=O)N[C@@H](C(=O)N[C@H]2COc3c(C)cccc3C2)c2ccccc2)cc1 1160626544 FUIVXYAFBXLZOC-FYYLOGMGSA-N 430.504 3.595 0 40 IHAB C[C@H](Sc1nc(CC(=O)NC(C)(C)c2cccc(C(F)(F)F)c2)cs1)C(N)=O 1273161137 DEJJZVWACMFYCB-JTQLQIEISA-N 431.505 3.722 0 40 IHAB COCCCN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)Nc1ccc2c(c1)OCCCO2 1565519532 CKPCHMPNXHWMDV-FPOVZHCZSA-N 431.577 3.983 0 40 IHAB biogenic Cc1ccc(C(=O)N2CCN(C(=O)N(C)Cc3ccccc3)CC2)c(Br)c1 1630404793 BKMPFXFQXSQTCT-UHFFFAOYSA-N 430.346 3.767 0 40 IHAB CO[C@@H]1CCCN2C(=O)c3cccc(c3)OCCN(Cc3ncccc3F)CCCC[C@H]12 2037980821 JMSGLHXSLRUCKO-DNQXCXABSA-N 441.547 3.905 0 40 IHAB COc1ccc(NC(=O)CSc2nnc3c(C)cc4cc5c(cc4n23)OCCO5)cc1 877403 SIOQWGLLZIYOAY-UHFFFAOYSA-N 436.493 3.702 0 40 IHAB COc1ccc(NC(=S)N(CCN(C)C)Cc2cc3c(C)cc(C)cc3[nH]c2=O)cc1 880659 IXEYZBUDUFAGKW-UHFFFAOYSA-N 438.597 3.914 0 40 IHAB CC[C@H](C)N1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2cccc(OC)c2OC)C1=O 2100650 KOFQMJHFDMHQST-CCQPRUGESA-N 447.535 3.669 0 40 IHAB biogenic C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)cc3F)c2)C[C@H](C)O1 2616624 NJJCRJPTFSTEGG-STQMWFEESA-N 426.897 3.529 0 40 IHAB Cc1ccc(C(=O)c2c(NC(=O)COC(=O)C3=COCCO3)sc3c2CCCC3)cc1 3542721 NOKUMQXZCUGNOJ-UHFFFAOYSA-N 441.505 3.536 0 40 IHAB COc1ccc(-n2nc3c(c2NC(=O)C24CC5CC(CC(C5)C2)C4)C[S@](=O)C3)cc1 4105955 GAOQHYRVHVSQBK-MFHORNHTSA-N 425.554 3.798 0 40 IHAB CC(=O)NCc1ccc(C(=O)COC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)o1 8725010 HMEJAXMCEAFTDP-UHFFFAOYSA-N 431.448 3.603 0 40 IHAB O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)Nc1ccc(OCc2ccccc2)cc1 8777434 LOWGQSHNFATIPC-UHFFFAOYSA-N 443.503 3.761 0 40 IHAB Sc1nnc(Cn2c(-c3ccccn3)nc3ccccc32)n1-c1ccc2c(c1)OCO2 9410897 SMQROSWDFOCERK-UHFFFAOYSA-N 428.477 3.745 0 40 IHAB CC(=O)c1ccc(NC(=O)c2cccnc2SCC(=O)Nc2ccc3c(c2)OCO3)cc1 9494312 ZIPDBSCIXVHAJQ-UHFFFAOYSA-N 449.488 3.996 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CSc1nnc(NC[C@@H]2CCCO2)s1 9512970 ROMFYGIUUXZGSQ-INIZCTEOSA-N 444.586 3.662 0 40 IHAB COc1ccc([C@H](NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)c2ccccc2)cc1 9516212 MRMBWUIAQIIDBW-JYFHCDHNSA-N 428.532 3.992 0 40 IHAB COc1ccc(CC(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3OC)c2)cc1 9662820 VSFNDHWMJCEMGO-UHFFFAOYSA-N 440.521 3.994 0 40 IHAB Cc1ccc(-n2c(=O)[nH]c3c(C(=O)Nc4ccc(Cl)c(Cl)c4)cn(C)c3c2=O)cc1 9820843 VPKGTWJZLLZJGX-UHFFFAOYSA-N 443.290 3.885 0 40 IHAB COc1ccc(Cl)cc1NC(=O)CSc1nnc2ccc(-c3ccncc3)nn12 9829186 FJLQZFMUMCDESR-UHFFFAOYSA-N 426.889 3.579 0 40 IHAB C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O)c1cc2ccccc2o1 9876904 XUCXZSDJEDWVJD-BZQUYTCOSA-N 431.492 3.566 0 40 IHAB COc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2cccnc2)n2nnnc2N3)cc1OC 10336973 XQLRUPDGLZVURF-DHIUTWEWSA-N 440.463 3.645 0 40 IHAB COc1ccc(C)cc1-n1nnnc1SCC(=O)N(Cc1ccccc1)Cc1ccco1 10880730 BDHPTRSIUHBKGF-UHFFFAOYSA-N 449.536 3.893 0 40 IHAB COc1ccc(NC(=O)c2ccc(COC(=O)c3ccc4c(c3)C(=O)N(C)C4=O)cc2)cc1 10962917 VOYRAPHVYZEQPS-UHFFFAOYSA-N 444.443 3.530 0 40 IHAB C[C@H](CCc1ccccc1)NC(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)c(Cl)c2)C1=O 12767883 XOMQLDQNUHEJBY-JLCFBVMHSA-N 448.350 3.898 0 40 IHAB CCONC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(OC)cc2)c1 12771151 YHALVXIRVFGFGR-UHFFFAOYSA-N 440.521 3.772 0 40 IHAB O=C1NCCCC[C@H]1Sc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCC3 12886050 DFLDTAMWKWHIFJ-GOSISDBHSA-N 439.606 3.950 0 40 IHAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N3CCN(CC(F)(F)F)CC3)cc12 12943584 SYFURHDJMLGZQQ-UHFFFAOYSA-N 440.466 3.914 0 40 IHAB CCn1c(S[C@H](C)C(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)nnc1C1CC1 13013303 JATFBLCAXCRVHV-SNVBAGLBSA-N 439.463 3.660 0 40 IHAB COc1ccc(NC(=O)c2ccc(NC(=O)CCc3nc4ccccc4c(=O)[nH]3)cc2)cc1 13015210 LFZOBKOVMUQZQF-UHFFFAOYSA-N 442.475 3.755 0 40 IHAB CCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1c[nH]c2ccccc12 13123213 FMASYZBNLYLYNH-UHFFFAOYSA-N 435.509 3.948 0 40 IHAB Cc1cc(NC(=O)/C=C/C(=O)N(CC(=O)NC2CCCC2)c2cccc3ccccc23)no1 13123774 IXEFPQOMCTYCIY-BUHFOSPRSA-N 446.507 3.723 0 40 IHAB COc1ccccc1C(=O)Nc1cccc(OCc2cc(=O)n3nc(C4CC4)sc3n2)c1 13368310 QSFZCAYNZIVYIZ-UHFFFAOYSA-N 448.504 3.868 0 40 IHAB C[C@H](Sc1nc(Cl)nc2[nH]cnc12)C(=O)NCCc1c[nH]c2ccc(Cl)cc12 13551678 FCLSLXNMGZANJM-VIFPVBQESA-N 435.340 3.981 0 40 IHAB COc1ccc(-c2ccc(=O)n(CCNC(=O)Nc3cccc(C(F)(F)F)c3)n2)cc1 13604520 RMEGPJHCPVRSHX-UHFFFAOYSA-N 432.402 3.759 0 40 IHAB O=C1c2ccccc2N[C@@H](c2cc(Br)c3c(c2)OCO3)N1C[C@@H]1CCCO1 15503794 BOHMAYFVEBJQKT-ORAYPTAESA-N 431.286 3.923 0 40 IHAB CCCc1nn2c(=O)cc(COC(=O)c3cccc(NC(=O)c4ccccc4)c3)nc2s1 15772414 CYIHUMFFDSZLJY-UHFFFAOYSA-N 448.504 3.713 0 40 IHAB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)Nc1c(F)cccc1F 16479160 BMKBXIMMFPQLHN-UHFFFAOYSA-N 430.476 3.837 0 40 IHAB C[C@@H](C(=O)c1ccc(F)cc1)N1CCC(O)(CN2CCCC[C@@H]2c2cccnc2)CC1 19080828 CDHKEHPWTKXFLB-WMZHIEFXSA-N 425.548 3.846 0 40 IHAB Cc1cccc(C)c1OCC(=O)N1CCNC(=O)[C@@H](Cc2ccccc2-c2ccncc2)C1 19236060 ZQBUNUZSHSQZHB-QHCPKHFHSA-N 443.547 3.562 0 40 IHAB O=C(c1ccc2ccccc2n1)N1CCC(O)(CN2CCCC[C@H]2c2cccnc2)CC1 19376311 QBGOTWOVENCYRZ-DEOSSOPVSA-N 430.552 3.824 0 40 IHAB CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCCN3C(=O)c3ccn(C)c(=O)c3)cc2n1 19452330 DEOPJNPRPDTOGC-MRXNPFEDSA-N 433.434 3.548 0 40 IHAB CCn1cc(CC(=O)N[C@H](Cc2cc(=O)[nH]c(C)n2)c2ccc(F)cc2)c2ccccc21 19524792 RICSMNRIQHIBPS-JOCHJYFZSA-N 432.499 3.835 0 40 IHAB CCOc1ncc(C2(O)[C@H]3CCC[C@@H]2CN(Cc2ccc(OC)cc2F)C3)c(OCC)n1 19531640 UTEVMNBIMKWEMA-QLCVBSLISA-N 445.535 3.541 0 40 IHAB CNC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CCN(C(=O)CCc2ccccc2)C1 19591448 IMFUTSQBRFLDLJ-HHHXNRCGSA-N 427.548 3.889 0 40 IHAB CNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCN(Cc2cc(OC)ccc2OC)C1 19591676 NFLICOXEEYEUOX-HHHXNRCGSA-N 445.563 3.947 0 40 IHAB CC(C)c1nccn1CC(=O)N1CCC[C@H](c2nc(N(C)C)ncc2-c2ccccc2)C1 19694256 KNHAFAXEGOOBEL-FQEVSTJZSA-N 432.572 3.936 0 40 IHAB Cc1ccc(CN2C(=O)CCc3c(C)nc([C@@H]4CCCN4Cc4cn(C)nc4C)nc32)cc1 19740654 MHEQFEGATDYZIR-QHCPKHFHSA-N 444.583 3.952 0 40 IHAB COC(C)(C)C(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(Cc1ccc(C)cc1)C(=O)CC2 19741907 XYKPIHHPYMJYKR-FQEVSTJZSA-N 436.556 3.661 0 40 IHAB COc1ccccc1NC(=O)c1cnc([C@@H]2CCCN2C(=O)c2oc(C)nc2C)nc1C 19755427 WCFDCQARHNVXIX-SFHVURJKSA-N 435.484 3.628 0 40 IHAB Nc1nc(C2CCN(C(=O)Cc3ccccc3)CC2)ccc1C(=O)NCc1ccccc1 19766278 LQXWULXLPOEDLV-UHFFFAOYSA-N 428.536 3.543 0 40 IHAB COc1cc(C(=O)NC[C@@H](c2cccn2C)N2CCc3ccccc3C2)cc(OC)c1OC 21151434 BTBMOCZIVQFSQM-QFIPXVFZSA-N 449.551 3.580 0 40 IHAB CCCC(=O)N1CCN(c2ccc(Cl)cc2NS(=O)(=O)c2ccc(C)cc2)CC1 21576584 JHWSSKNMYULJSS-UHFFFAOYSA-N 435.977 3.898 0 40 IHAB CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCCCCC2)cc1C 22247389 UWHGIOUJNLHHDB-JOCHJYFZSA-N 444.597 3.686 0 40 IHAB CCc1ccc([C@@H](NC(=O)C2CCN(c3ccc4nncn4n3)CC2)c2cccs2)cc1 31260896 HJBQBPKLQXFDFS-HSZRJFAPSA-N 446.580 3.870 0 40 IHAB C[C@@H](Oc1ccc(F)cc1Br)C(=O)NCC1(N2CCOCC2)CCCCC1 32482594 NXAZQUIIIRIBMN-OAHLLOKOSA-N 443.357 3.507 0 40 IHAB COc1cc(OC)c(N2C[C@@H](C(=O)NCCCOC3CCCCC3)CC2=O)cc1Cl 32820871 WTVPCDPOPDTINA-HNNXBMFYSA-N 438.952 3.566 0 40 IHAB COC(=O)COc1cccc(NC(=O)Cc2c(C)nn(-c3ccc(F)cc3F)c2C)c1 40133653 OWMDYUMCPTZDIR-UHFFFAOYSA-N 429.423 3.500 0 40 IHAB Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc(F)cc3Cl)c2=O)c1 57490249 LMZKQYUSXFVHFJ-UHFFFAOYSA-N 443.887 3.954 0 40 IHAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)NCc1ccc(C(=O)N(CC)CC)cc1 59301396 OFXAURDXMOGCBD-HXUWFJFHSA-N 425.529 3.540 0 40 IHAB O=C(c1nn(-c2ccc(F)cc2)c2c1CCCC2)N(CCN1CCOCC1)c1ccccc1 62582591 XNGJYAVAZFMVQC-UHFFFAOYSA-N 448.542 3.869 0 40 IHAB CCN(CC)C(=O)[C@@H]1CC[C@@](C)(C(=O)N2CCC[C@H](c3n[nH]c4ncccc34)C2)C1(C)C 72397023 GJPVZCYTZLCUST-KMEZTADASA-N 439.604 3.975 0 40 IHAB COC(=O)c1ccc(NC(=O)c2cccc(NC(=O)c3cccs3)c2)cc1C(=O)OC 78935474 RPHFLLOTTSGYJR-UHFFFAOYSA-N 438.461 3.826 0 40 IHAB CCN1CC[C@]2(CN(Cc3cccnc3)CC23CCN(Cc2ccc(C)s2)CC3)C1=O 96036466 OLWNDFHGHPIQEE-VWLOTQADSA-N 438.641 3.788 0 40 IHAB O=C(Cc1cccs1)NCCN1C(=O)S/C(=C/c2ccc(OC(F)F)cc2)C1=O 96594305 UNLDGHSKROJIJR-XNTDXEJSSA-N 438.477 3.745 0 40 IHAB CC[C@@H]1c2ccc(O)c3c2[C@]24CCN(C)[C@@H]1[C@]21C=C[C@@](OC)([C@@H](C(C)(C)O)C1)[C@]4(C)O3 100393721 WFNORGSBXRKKDN-FJNTTZATSA-N 425.569 3.725 0 40 IHAB biogenic,in-vitro O=C1[C@H]2OC[C@@H](O2)[C@@H]2[C@H]1[C@H]1C=Cc3ccccc3N1[C@@H]2C(=O)C12CC3CC(CC(C3)C1)C2 106091125 XXTVWAHGGFLWMY-PGXPPFJSSA-N 431.532 3.613 0 40 IHAB biogenic,in-vitro CCOc1ccccc1N(CC(=O)N(CC)CC)S(=O)(=O)c1ccc(SC)cc1 107694690 PQIAPQUOCCFVKO-UHFFFAOYSA-N 436.599 3.871 0 40 IHAB CS(=O)(=O)N1C[C@@H](C(=O)Nc2c(Cl)cccc2Cl)Oc2ccc(Cl)cc21 216256429 JIRSFFRGLYRWPA-AWEZNQCLSA-N 435.716 3.813 0 40 IHAB Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)cc1 219969480 SUDQLIUTLSVKGJ-LJQANCHMSA-N 430.570 3.508 0 40 IHAB Cc1ccc(C)c([C@@H](C)NC(=O)CN(c2ccc(C(F)(F)F)cc2)S(C)(=O)=O)c1 220047702 UHDRHDHAOSHVFL-OAHLLOKOSA-N 428.476 3.966 0 40 IHAB CC(C)(Cc1ccccc1)NC(=O)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 222891199 SRZHQOGFVYRILX-UHFFFAOYSA-N 442.625 3.799 0 40 IHAB CCOc1cccc(N(CC(=O)N[C@@H](CC)c2ccc3c(c2)CCCC3)S(C)(=O)=O)c1 223088588 CXCGAKYUGHNTPR-QHCPKHFHSA-N 444.597 3.998 0 40 IHAB COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(C)n1-c1cccnc1 223717605 ZGPYWZUXJASVET-VXKWHMMOSA-N 435.553 3.501 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NC(C)(C)Cc1ccccc1 224072828 RNZUZPQDUUDQER-UHFFFAOYSA-N 444.597 3.550 0 40 IHAB COC(=O)CN(c1ccc(F)cc1F)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224625712 HNJCDMPWICQUIR-UHFFFAOYSA-N 440.251 3.649 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCC1CCCCC1)c1ccccc1Br 224728617 PFLJGLPZGRBTLQ-UHFFFAOYSA-N 431.396 3.692 0 40 IHAB CCN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(Br)c1 224878994 VGSLODVSEQMWMR-UHFFFAOYSA-N 430.320 3.690 0 40 IHAB CCc1ccc(OCC(=O)N(Cc2ccc(OC)cc2)[C@H](C)C(=O)N[C@@H](C)CC)cc1 225407768 KSUMYHVKAMCORP-RBUKOAKNSA-N 426.557 3.968 0 40 IHAB C[C@]1(C(=O)Nc2ccc(OC(F)(F)F)cc2)CCCN(Cc2ccccc2)S1(=O)=O 225952561 SZNCGWJHFXCNBO-LJQANCHMSA-N 442.459 3.908 0 40 IHAB COc1cccc(CN2CC[C@H](c3cc4nc(C)c(CCC(=O)NC(C)C)c(C)n4n3)C2)c1 257246297 ITMMKNUNYVPAAG-NRFANRHFSA-N 449.599 3.801 0 40 IHAB COc1ccc(-c2cncc([C@H]3CN(C(=O)Cc4c[nH]c5ccccc45)CCO3)n2)cc1 257264456 LULOHVXGSXQGIK-XMMPIXPASA-N 428.492 3.776 0 40 IHAB O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1NC(=O)C(=O)Nc1ccc(F)cc1 408560905 FNFIARJPXMJFGF-UHFFFAOYSA-N 429.835 3.674 0 40 IHAB Cc1ccc(C(=O)CN(C(=O)c2ccccc2Cl)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 408640030 ABWSTBNQJOBZON-HDICACEKSA-N 436.895 3.840 0 40 IHAB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3ccccc3Cl)C(=O)[C@H]2C1 408665022 ZGNTUXKPZSCBJW-MJGOQNOKSA-N 436.895 3.921 0 40 IHAB Cc1cc(C)cc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC=C[C@@H](C)[C@H]4C3=O)cc2)c1 408665762 QFDMQLKDDQWWPI-ODOSVJCGSA-N 446.503 3.801 0 40 IHAB Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H](C)C=CC[C@H]4C3=O)cc2)cc1C 408668655 VHYZSJNORNUKHB-VZPUWSDOSA-N 446.503 3.801 0 40 IHAB Cc1cc(C)c(-c2c3c(nc4c2c(=O)n(C)c(=O)n4C)-c2ccccc2[C@H]3O)c(C)c1C 408986781 PFANNQQJDSAYIS-HSZRJFAPSA-N 427.504 3.595 0 40 IHAB CCOc1cc(C(=S)N2CCOCC2)ccc1OCC(=O)Nc1cccc(C)c1C 409232431 HRKGPXWGKALGHY-UHFFFAOYSA-N 428.554 3.727 0 40 IHAB CCCCCNC(=O)CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1 409390158 SPMJKYJDYSYYAS-UHFFFAOYSA-N 426.941 3.976 0 40 IHAB O=C(c1cnc2ccccc2n1)N1CCC(Cn2nc(-c3ccc(F)cc3)ccc2=O)CC1 585147556 RGKUIWREKLLKLC-UHFFFAOYSA-N 443.482 3.545 0 40 IHAB C[C@H](NC(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1)c1ccc2nc(O)[nH]c2c1 614114039 ZNUFFTCAKHRDFV-RCDICMHDSA-N 442.475 3.702 0 40 IHAB CCC(=O)N1CCNC(=O)c2cccc(c2)Cc2cc(-c3ccncc3)ccc2OCC1 643575775 KTFQPZPWVJBJBR-UHFFFAOYSA-N 429.520 3.700 0 40 IHAB Cc1cc(C)c(S(=O)(=O)NCCC(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)c(C)c1 1635030316 SBIGGLQWEOFXDX-KESTWPANSA-N 434.989 3.996 0 40 IHAB O=C(NC[C@@H](O)c1ccc(-c2cccs2)o1)C(=O)Nc1ccc(OC(F)(F)F)cc1 1775966681 TXWORXRZPKFTSA-CYBMUJFWSA-N 440.399 3.695 0 40 IHAB CCc1nnc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3)n2CC)s1 898547 NJFFGCGEVRHLIT-UHFFFAOYSA-N 438.966 3.675 0 40 IHAB COc1ccc(OC)c(NC(=O)CSc2nnc3c(C)cc4ccc(OC)cc4n23)c1 928401 INZMXQAURDLGIR-UHFFFAOYSA-N 438.509 3.948 0 40 IHAB CCc1nnc(NC(=O)CSc2nnc(COc3cccc4ccccc34)n2C)s1 933831 XOZHNHDXJYHYBY-UHFFFAOYSA-N 440.554 3.692 0 40 IHAB Cc1ccc(COC(=O)c2ccc(Cl)c(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)cc1 3331311 SKRNDHZFWBDVMW-HOTGVXAUSA-N 437.945 3.803 0 40 IHAB COc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)c1cncc(Br)c1 3334374 ADRRAQOVZYHAOI-UHFFFAOYSA-N 444.285 3.727 0 40 IHAB Cn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc2c(c1)OCO2 3543211 KSPZJEQGYJZBPC-UHFFFAOYSA-N 432.889 3.507 0 40 IHAB CC[C@H](C)NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 6821286 ZSYIJYSFMDTOGO-AWEZNQCLSA-N 425.348 3.559 0 40 IHAB CCc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 8723367 BREWIGUILFLOSG-AWEZNQCLSA-N 431.539 3.912 0 40 IHAB CCn1c(SCC(=O)Nc2cc(Cl)ccc2-n2cncn2)nnc1-c1cccs1 9056530 HELJLKWVJMCUEF-UHFFFAOYSA-N 445.961 3.991 0 40 IHAB CCn1c(SCc2nc(-c3cccc(Cl)c3)no2)nc2cc(S(N)(=O)=O)ccc21 9366974 IAZMSUMZMOBOCK-UHFFFAOYSA-N 449.945 3.699 0 40 IHAB Cc1ccc(NC(=O)CSc2nnc(-c3cc(-c4ccc(Cl)cc4)[nH]n3)n2N)cc1 9373809 USCMTRJRZNFFGR-UHFFFAOYSA-N 439.932 3.742 0 40 IHAB Cc1nc2ncnn2c(C)c1CCC(=O)N(C1=N[C@@H](C)CS1)c1ccc(Cl)cc1 9712186 MEZLWRPHRZKQPB-LBPRGKRZSA-N 428.949 3.852 0 40 IHAB Cc1nc2ccc(N[C@H](C)C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2s1 9739364 SUZJODXYHMBPAT-CQSZACIVSA-N 444.582 3.828 0 40 IHAB CCCn1cc(C(=O)NCCc2ccc(OC)cc2)c2nn(-c3ccccc3)c(=O)c-2c1 10062650 SACDCJPYPQNAAS-UHFFFAOYSA-N 430.508 3.530 0 40 IHAB Cc1cc2oc(=O)cc(COC(=O)c3ccccc3NS(C)(=O)=O)c2cc1C(C)C 10265614 IUZYWTGWQAUYCH-UHFFFAOYSA-N 429.494 3.953 0 40 IHAB Cc1ccc(-c2cc(C(=O)N3CCN(c4ncccn4)CC3)c3cnn(C(C)C)c3n2)s1 11430628 AKYPJCCVSDLMTF-UHFFFAOYSA-N 447.568 3.802 0 40 IHAB CCOC(=O)[C@H]1[C@@H](c2cccc(Oc3ccccc3)c2)NC(=O)N(C)[C@@]1(O)C(F)(F)F 11859200 ZSZKOKPABFKBKF-HLIPFELVSA-N 438.402 3.605 0 40 IHAB CCN(CC)CCNc1nc(-c2ccncc2)nc2c1CCN(Cc1ccccc1F)C2 12233209 GCOHJFYHRZLWTH-UHFFFAOYSA-N 434.563 3.990 0 40 IHAB COc1ccc2oc(=O)c(-c3ccc(OCC(=O)NCCc4ccc(O)cc4)cc3)cc2c1 12296655 SXYRBGWZBFRWQZ-UHFFFAOYSA-N 445.471 3.912 0 40 IHAB biogenic Cc1nn(-c2ccccc2)c2c1[C@@]1(C(=O)Nc3ccccc31)N1C(=N2)C(=O)Nc2ccccc21 12557669 QLSVOHMUKBAOFX-SANMLTNESA-N 446.470 3.879 0 40 IHAB C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2ccc(C(=O)Nc3ccccc3)cc2)C1=O 12568862 CLMHNRVXOJNOSZ-RUZDIDTESA-N 443.459 3.635 0 40 IHAB Brc1ccc(-n2c(SCCN3CCOCC3)nnc2-c2cccnc2)cc1 12610375 KXLQAMRYNDYKNG-UHFFFAOYSA-N 446.374 3.516 0 40 IHAB CCCN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cc(OC)c(OC)c(OC)c3)N2C1=O 12652468 ZSPNWGCIXHPEGD-PGRDOPGGSA-N 449.507 3.882 0 40 IHAB biogenic Cc1ccc(S(=O)(=O)N2CCCN([C@H](C)C(=O)c3c(C)[nH]c4ccccc34)CC2)cc1 12683580 JJQBFNOSOXIFGQ-LJQANCHMSA-N 439.581 3.753 0 40 IHAB COc1ccc(-c2noc(CSc3nc(CN4CCOCC4)nc4ccccc34)n2)cc1 12707710 OWQRHFGFTOFENI-UHFFFAOYSA-N 449.536 3.813 0 40 IHAB CC[C@@H](NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1)c1ccc(Br)cc1 12767830 GEFSZRXQUJHDKX-GOSISDBHSA-N 429.314 3.979 0 40 IHAB CCOc1ccc(C(=O)N[C@H](C(=O)NC[C@@H](c2ccccc2Cl)N(C)C)C(C)C)cc1 12801570 GUBGSSBTGVNDMV-VXKWHMMOSA-N 445.991 3.912 0 40 IHAB Cc1cc(-n2c(C)cc(C(=O)CN3C(=O)N[C@]4(CCCCc5ccccc54)C3=O)c2C)no1 12854312 GHOPOUQYQARHOT-VWLOTQADSA-N 446.507 3.747 0 40 IHAB O=C(COc1cc(Cl)ccc1Cl)Nc1cc2[nH]c(=O)[nH]c2cc1Br 13037849 RIJRDJMWKLOHAG-UHFFFAOYSA-N 431.073 3.943 0 40 IHAB C[C@@H]1CCc2c(sc3nc([C@@H](C)Sc4nnc(-c5cccs5)n4N)[nH]c(=O)c23)C1 13101239 LRLQYAFLSVFQIY-NXEZZACHSA-N 444.611 3.997 0 40 IHAB COc1ccc2cc([C@@H](C)C(=O)N3CCN(CC(=O)Nc4ccc(F)cc4)CC3)ccc2c1 13112878 JSBPXYABWSKRPG-GOSISDBHSA-N 449.526 3.874 0 40 IHAB COCC(=O)Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C[C@@H](c1ccc(OC)cc1)N2 13127244 IVTWYJRMCCRDBE-ZWKOTPCHSA-N 427.892 3.671 0 40 IHAB Cc1ccccc1-c1ccc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)nn1 13663866 RTARAHRJUXNROR-UHFFFAOYSA-N 428.945 3.616 0 40 IHAB CCc1ccccc1NC(=O)CN(C)C(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1 14241219 WUSGWUFUUURDQM-UHFFFAOYSA-N 445.519 3.868 0 40 IHAB O=c1nc2s/c(=C\c3ccc(-c4cccc(Cl)c4)o3)c(=O)n2nc1Cc1ccccc1 16734587 MACKXEFWHBHOOY-MOSHPQCFSA-N 447.903 3.563 0 40 IHAB COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)Nc2ccc(F)c(Cl)c2)cc1 16858787 QSUFIOCRSZYAFO-IOMPXFEGSA-N 448.878 3.576 0 40 IHAB Cc1ccc(CC(=O)N2CCC[C@H]2c2c(-c3ccnc(N4CCCC4)n3)cnn2C)cc1 19209567 ZGZMPYHLABELIC-QFIPXVFZSA-N 430.556 3.692 0 40 IHAB Cn1ccnc1-c1nn(CCNC(=O)[C@H]2OCCc3ccccc32)cc1-c1ccc(F)cc1 19291546 QDHYCJIILHGMTR-QHCPKHFHSA-N 445.498 3.520 0 40 IHAB COc1ccc(CC(=O)NCCn2ncc(-c3ccc(Cl)cc3)c2-c2nccn2C)cc1 19291762 SKDGZUZSOPYTSB-UHFFFAOYSA-N 449.942 3.972 0 40 IHAB COc1ccccc1CC(=O)N1CCNC(=O)[C@@H](Cc2ccccc2-c2cccs2)C1 19569673 ZZKRSAOAEMEFTO-FQEVSTJZSA-N 434.561 3.784 0 40 IHAB O=C(CCN1CCC(c2ccc(Cc3cccc(Cl)c3)cn2)CC1)N1CCOCC1 19690269 VWWUCNBVUDHIQO-UHFFFAOYSA-N 427.976 3.754 0 40 IHAB Cc1nonc1C(=O)N1CCO[C@@H](c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)C1 19692902 ZCNIDHIYAPTPGL-GOSISDBHSA-N 432.402 3.596 0 40 IHAB Cc1noc(C)c1CC(=O)N1CC[C@H](c2ccc3c(NCc4ccc(F)cc4)n[nH]c3n2)C1 19705051 DEAPFSMXHUMBCW-KRWDZBQOSA-N 448.502 3.873 0 40 IHAB Cc1cccc(N(CC(=O)NCc2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1C 20482921 SCZXMXKWYYOHBQ-UHFFFAOYSA-N 426.513 3.954 0 40 IHAB COc1cc(CC(=O)O[C@@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)cc(OC)c1OC 21173358 FAZCDGJVJQSDRC-HNNXBMFYSA-N 443.496 3.664 0 40 IHAB CN(CC(=O)Nc1ccccc1N1CCCCC1)S(=O)(=O)c1ccc(Cl)s1 21336782 GHMQOICCLMTIHN-UHFFFAOYSA-N 427.979 3.651 0 40 IHAB CCc1ccc(Cn2nccc2NC(=O)CCc2c(C)nc3nc(SC)nn3c2C)cc1 21599840 VPUBGALPBWSYIV-UHFFFAOYSA-N 449.584 3.842 0 40 IHAB COCCN(CCOC)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1 21999000 CQGBPTIYIZAATF-UHFFFAOYSA-N 444.535 3.882 0 40 IHAB Cc1ccccc1OC[C@H](C)NC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 22341898 OGQSDVMGIPBFII-AWEZNQCLSA-N 445.368 3.652 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2C)c2ccccc2)cc1C 22385304 FPQDYLHCFRTARN-UHFFFAOYSA-N 438.549 3.824 0 40 IHAB Nc1c(Cl)cc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2F)cc1Cl 22691250 HMCVAJFKWFVHMJ-CQSZACIVSA-N 432.304 3.507 0 40 IHAB CC(C)(C)c1ccc(OCCOC[C@@H](O)CN2CCN(c3ccccc3F)CC2)cc1 23224731 GUSPVTVHRMDSBO-NRFANRHFSA-N 430.564 3.702 0 40 IHAB CC(=O)Nc1ccc2nc(NC(=O)[C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)sc2c1 32900447 BDIMDPJDYCFHAC-HNNXBMFYSA-N 440.500 3.885 0 40 IHAB Cc1cc(NC(=O)CSc2nnc3n(Cc4ccccc4F)c4ccccc4n23)no1 35315081 IKQHNEFCFNTVCW-UHFFFAOYSA-N 436.472 3.899 0 40 IHAB CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)O2 38853510 QDQQZMSLYZMUFF-GOSISDBHSA-N 440.924 3.942 0 40 IHAB Cc1ccc2c(c1)c1c3n2CCN(C(=O)CN2CCN(c4ccccc4)CC2)[C@@H]3CCC1 55220739 VXNXXHMIKHFYCZ-RUZDIDTESA-N 428.580 3.992 0 40 IHAB CCC[C@H](c1nnnn1Cc1ccc2c(c1)OCO2)N1CCN(c2cccc(C)c2C)CC1 57671361 FBUYMLBHQUYIHJ-JOCHJYFZSA-N 448.571 3.730 0 40 IHAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2ncc(CN[C@@H](C)c3ccc4c(c3)CCCC4)cc12 58172269 MZBGMNCHULERMF-KSFYIVLOSA-N 438.597 3.829 0 40 IHAB COc1cc(C)c2[nH]c3c(c(=O)c2c1)CN(CC(=O)Nc1ccc(Cl)c(F)c1)CC3 67349970 CDFCZVNXFGCZPF-UHFFFAOYSA-N 429.879 3.634 0 40 IHAB O=C1NCCN(C(=O)CCc2ccc(Cl)cc2)[C@@H]1Cc1cccc(-c2cccnc2)c1 72351709 RJUFUBVDGBFPKI-HSZRJFAPSA-N 433.939 3.904 0 40 IHAB CCN(C(=O)CN1CCC[C@H](C(=O)NC2CCCCC2)C1)c1nc2ccccc2s1 84779718 KRNDMOXMCDQALY-KRWDZBQOSA-N 428.602 3.810 0 40 IHAB COc1cccc(C(=O)NS(=O)(=O)c2cc(Cl)sc2Cl)c1OC(F)F 89471455 QZUGWAKDPDEGJB-UHFFFAOYSA-N 432.253 3.784 0 40 IHAB O=C(Nc1cccc(Oc2ccccc2)c1)[C@H](c1ccccc1)N1CCS(=O)(=O)CC1 89825881 QEWWRNBSOQRIQG-QHCPKHFHSA-N 436.533 3.889 0 40 IHAB CC(=O)N1CCc2nc3cc([C@H]4CCCCN4Cc4ccccc4Cl)nn3c(O)c2C1 100242882 GPROZQLTKAFHHJ-OAQYLSRUSA-N 439.947 3.720 0 40 IHAB CCOc1cc(C)ccc1OCc1nnc(SCC(=O)Nc2cccc(OC)c2)n1C 101188882 DHISSROWPZCLQR-UHFFFAOYSA-N 442.541 3.841 0 40 IHAB CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(Cl)cc1Cl 222778424 BSVPFWYUPNDKIL-CYBMUJFWSA-N 425.312 3.544 0 40 IHAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc2c(c1)OCO2 222899838 CQFJETYRXORUSL-INIZCTEOSA-N 428.504 3.819 0 40 IHAB CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)COc1cc(C)c(Br)c(C)c1 222952454 QINHNMAQIXGZOR-IBGZPJMESA-N 447.373 3.998 0 40 IHAB O=C(NC[C@@H]1CCCO1)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1Cl 224066724 DHIGWZSVHNEMKW-AWEZNQCLSA-N 429.325 3.703 0 40 IHAB Cc1cc(C)cc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c1 224075988 GNSJGZJWXYRZDE-UHFFFAOYSA-N 430.570 3.595 0 40 IHAB Cc1ccc(OCCNC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1Cl 224143623 GOZHPUVTDBFNPH-CQSZACIVSA-N 445.368 3.652 0 40 IHAB CC[C@@H](NC(=O)[C@@H](C)N(c1cc(C)ccc1OC)S(C)(=O)=O)c1ccc(OC)c(C)c1 224303332 CGGLATKBJAKGBZ-IEBWSBKVSA-N 448.585 3.743 0 40 IHAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-n3cnnc3)c2C)c1 224523906 RLUODKJZRPBCAQ-FGZHOGPDSA-N 445.552 3.589 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(Oc3ccccc3)cc2)cc1OC 224798168 SMGKDOAAFOBVIK-UHFFFAOYSA-N 443.477 3.776 0 40 IHAB CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCCOc1ccc(OC)cc1 224869462 HVBITKRODWSUNX-SFHVURJKSA-N 430.520 3.937 0 40 IHAB Cc1ccc(CN2C(=O)[C@@H]3[C@@H](c4ccccc4)[C@H]4C=C[C@@]3(O4)[C@@H]2C(=O)NC2CCCC2)cc1 245227875 XCVNSRUWIFGCQF-VAYYAVMJSA-N 442.559 3.872 0 40 IHAB COc1cccc2ccc(CN3CCO[C@H](c4ccc(Nc5ncccn5)cn4)C3)nc12 257200662 AEIDBFJFVVVOII-QFIPXVFZSA-N 428.496 3.746 0 40 IHAB Cc1ncc(C(=O)N2CCC(Cc3ccccc3-c3cccs3)(C(N)=O)CC2)c(C)n1 257228817 FVJPNOYLZXULEU-UHFFFAOYSA-N 434.565 3.772 0 40 IHAB COc1cccc(N(CC(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)S(C)(=O)=O)c1 260945435 VAYSGTAZYKSAJB-QGZVFWFLSA-N 448.585 3.779 0 40 IHAB Cc1cc(Br)c(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCc2ccccc2)cc1C 408997801 IIHOPCUBXLWRCT-APWZRJJASA-N 447.329 3.776 0 40 IHAB Cc1ccccc1C(=O)N[C@H](C)c1nnc(SCC(=O)Nc2c(C)cccc2C)n1C 409345875 LZFQSVNVYMVQGH-QGZVFWFLSA-N 437.569 3.962 0 40 IHAB Cc1ccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3cccc(Cl)c3)n2C)cc1 409351098 ZJGCDWCOZXRCPH-AWEZNQCLSA-N 443.960 3.999 0 40 IHAB Cc1cccnc1Nc1cncc([C@@H]2CCCN(C(=O)CCOc3cccc(F)c3)C2)n1 585169380 ZZPMNBIOXSZDOC-GOSISDBHSA-N 435.503 4.238 0 40 IHAB Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCCN3c3nc4ccccc4o3)Cc3ccccc32)cn1 585410079 VGUKLXDNNHYBKM-UNMCSNQZSA-N 427.508 3.704 0 40 IHAB CCCn1c(=O)c2ccccc2n(Cc2nc(-c3ccc(OC(F)(F)F)cc3)no2)c1=O 823024280 MAJIJWKRIINSGO-UHFFFAOYSA-N 446.385 3.570 0 40 IHAB Cc1ccc(S(=O)(=O)c2nnc3c(-c4ccccc4)c(C)nn3c2/C=C/N(C)C)cc1 1548338193 CZNLISYYVKCISE-CCEZHUSRSA-N 433.537 3.773 0 40 IHAB O=C(N1CC[C@@H](Oc2ccncc2Br)C1)C1(c2ccccc2)CCOCC1 1776007895 KRXWDBVPCAOFFH-QGZVFWFLSA-N 431.330 3.572 0 40 IHAB CCOc1cc(S(=O)(=O)N2CCN(c3ccccc3OCC)CC2)c(OCC)cc1C 1889074448 ZOZYCOKVZDKVPI-UHFFFAOYSA-N 448.585 3.702 0 40 IHAB Cc1ccc(OC[C@]2(O)CCCN(CC(=O)Nc3ccc(OC(F)F)cc3)C2)cc1C 2037916251 ZLWIAYIGVKBEQJ-QHCPKHFHSA-N 434.483 3.749 0 40 IHAB Cc1ccc(Nc2nc(NCc3ccco3)nc(N3CCOCC3)n2)c(Br)c1 1054959 HHIDKPHPOQTXOE-UHFFFAOYSA-N 445.321 3.728 0 40 IHAB CSc1nnc2n(Cc3ccccc3)c(=O)c3c4c(sc3n12)CO[C@H](C(C)C)C4 1243043 XHQGXJOJEASMNJ-HNNXBMFYSA-N 426.567 3.973 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(c3ncnc4sc5c(c34)CCCC5)CC2)cc1C 1465812 OLXYKRMDQKCPSO-UHFFFAOYSA-N 442.610 3.698 0 40 IHAB CCCc1cc2c(=O)c(-c3ccc4c(c3)OCCCO4)coc2cc1OS(C)(=O)=O 2107428 ZQEJJFCCIIFVLL-UHFFFAOYSA-N 430.478 3.912 0 40 IHAB biogenic COCCOC(=O)c1c(N)n(-c2cccc(C(F)(F)F)c2)c2nc3ccccc3nc12 2239639 GXAHLGYLZAFSDD-UHFFFAOYSA-N 430.386 3.978 0 40 IHAB CCCCOc1ccc(-c2nc3s/c(=C\c4cccc(OC)c4OC)c(=O)n3n2)cc1 2260174 FLGTVQYEUNUBMX-RGEXLXHISA-N 437.521 3.562 0 40 IHAB O=C(CSc1nncn1-c1ccccc1)Nc1ccc(I)cc1 3543200 YEOHNDBVVQYMJX-UHFFFAOYSA-N 436.278 3.603 0 40 IHAB COc1ccc(-c2cc(C(=O)Nc3sc4c(c3C(N)=O)CC[C@@H](C)C4)no2)cc1OC 4176451 VNCQZKANEWESMW-LLVKDONJSA-N 441.509 3.896 0 40 IHAB CC[C@H]1CCCCN1C(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1CCCN(C)C 8132741 ZCHTUOKCIUXQGL-ROUUACIJSA-N 430.618 3.620 0 40 IHAB CN[C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(NCc3cccnc3)c(=O)cc21 8740354 UCAJJBBACQVBBG-FQEVSTJZSA-N 447.535 3.953 0 40 IHAB biogenic COc1c2c(c(CNC(=O)COc3cc(C)ccc3C(C)C)c3c1OCO3)CCN(C)C2 8765268 BHRIYBAJCAMDCF-UHFFFAOYSA-N 440.540 3.539 0 40 IHAB biogenic COc1ccc(-c2cc(=O)oc3c(C)c(OCC(=O)NCCCn4ccnc4)ccc23)cc1 8791855 WAZZQDMECLXFPW-UHFFFAOYSA-N 447.491 3.559 0 40 IHAB biogenic CSc1nc(N2CCN(c3ccccc3)CC2)cc(N2CCN(c3ccccc3)CC2)n1 8855447 BCYYLNHPFTUKOR-UHFFFAOYSA-N 446.624 3.852 0 40 IHAB Cc1ccc(-c2nc(COC(=O)CN3C(=O)N[C@@]4(CCCC[C@@H]4C)C3=O)cs2)cc1 9126337 JJJPISZYBBTBQK-OYHNWAKOSA-N 427.526 3.662 0 40 IHAB CCn1c(SCC(=O)NC2CCCC2)nnc1[C@@H](C)NC(=O)c1ccc(Cl)cc1 9263731 OIZFKPGLCKYTGP-CYBMUJFWSA-N 435.981 3.593 0 40 IHAB COc1cc(OC)c(NS(=O)(=O)c2ccc(OC)c(Br)c2)cc1Cl 9318083 GPFGXZZONATXFA-UHFFFAOYSA-N 436.711 3.929 0 40 IHAB CCOC(=O)c1c(NC(=O)c2ccc3c(c2)CCCC3)sc2c1CCN(C(C)=O)C2 9383220 UYMWVBNDHSYDTB-UHFFFAOYSA-N 426.538 3.961 0 40 IHAB COc1cc2nc(CSc3nnc(-c4cccs4)n3C3CC3)[nH]c(=O)c2cc1OC 9816968 WDBWKLPFQVEDLZ-UHFFFAOYSA-N 441.538 3.888 0 40 IHAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc4sccc4c3)cc2)C[C@H](C)O1 11852812 VKGIXEGBGZJLPA-GJZGRUSLSA-N 430.551 3.952 0 40 IHAB COc1ccc(Br)cc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1 12042860 YUSOSHWYQVMSNI-UHFFFAOYSA-N 439.375 3.585 0 40 IHAB C[C@@H](CCc1ccccc1)NC(=O)CN1C(=O)COc2ccc(C(=O)c3cccs3)cc21 12220688 GWRVLNYGJDCNMM-KRWDZBQOSA-N 448.544 3.842 0 40 IHAB CCOc1cc(C)ccc1OCC(=O)N1CCC[C@@H](c2nc3ccccc3cc2C(N)=O)C1 12275589 DZZUDFXLVZQBHT-LJQANCHMSA-N 447.535 3.826 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)COc2ccccc2C(C)(C)C)c1 12788848 RKWJEWAKLFMUAU-UHFFFAOYSA-N 434.558 3.738 0 40 IHAB C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](CNC4CCN(Cc5ccccc5)CC4)[C@H]3[C@@H](O)[C@@]21C 12859671 NILKEYZRQOIGIQ-UTBBYCFHSA-N 438.612 3.526 0 40 IHAB biogenic CC(C)(C)C(=O)COC(=O)c1ccccc1NC(=O)c1ccc(CN2CCOCC2)cc1 12935211 SUHJOFYBQQLLDS-UHFFFAOYSA-N 438.524 3.543 0 40 IHAB Cc1cccc(C)c1NC(=O)CNC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 12977261 JLRBENPSJWLVSV-UHFFFAOYSA-N 434.462 3.689 0 40 IHAB CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)Sc1nnc(C2CC2)n1C1CC1 13010148 QOYBWEHCMQWGKF-AWEZNQCLSA-N 427.574 3.631 0 40 IHAB O=S(=O)(Nc1nc2cc3c(cc2nc1N1CCCCCC1)OCCO3)c1ccccc1 13057209 ZWYWJPLPFVZPHE-UHFFFAOYSA-N 440.525 3.582 0 40 IHAB COc1ccc(CNC(=O)CSc2nnc3c4ccccc4nc(C(C)(C)C)n23)cc1 13086062 ARFJXUMPOWAJJT-UHFFFAOYSA-N 435.553 3.992 0 40 IHAB Cc1nn2c(=O)cc(COc3cccc(NC(=O)c4ccccc4Cl)c3)nc2s1 13367813 NZAGJDKZDSGNAP-UHFFFAOYSA-N 426.885 3.944 0 40 IHAB Cc1nc(Cc2nnc(SCC(=O)N(C)Cc3nc4ccccc4s3)o2)cs1 14124570 UYXTWLIVKADGCJ-UHFFFAOYSA-N 431.568 3.786 0 40 IHAB Cc1ccccc1CSCCNC(=O)[C@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O 14154931 PGVVFOHTYUAZDF-INIZCTEOSA-N 441.018 3.853 0 40 IHAB COc1ccc(/C=C2\SC(=O)N(CCNC(=O)COc3cccc(Cl)c3)C2=O)cc1 14255267 URKZVZJVZRCOOH-WQRHYEAKSA-N 446.912 3.580 0 40 IHAB O=C(CCSc1ccccc1)NC(=O)COC(=O)/C=C/c1ccc(OC(F)F)cc1 15980286 HTZCFQBAIAKVKI-DHZHZOJOSA-N 435.448 3.670 0 40 IHAB COc1ccccc1C(=O)NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 16228381 OHVSCZUHEDKVEO-UHFFFAOYSA-N 439.459 3.677 0 40 IHAB C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(NC(=O)[C@@H]2COc3ccccc3C2)cc1 16963048 YQXMYIKKCPMNQP-LMMKCTJWSA-N 428.554 3.828 0 40 IHAB Cc1ccc(N2C(=O)/C(=C/Nc3ccc(S(N)(=O)=O)cc3)c3ccccc3C2=O)cc1C 18036643 MQKNBNILQWJLLJ-HYARGMPZSA-N 447.516 3.591 0 40 IHAB Cc1c(-c2ccccc2)sc2ncn(Cc3cccc(S(=O)(=O)N(C)C)c3)c(=O)c12 18960018 MSMKJXSFKJTVDB-UHFFFAOYSA-N 439.562 3.732 0 40 IHAB C[C@H](OC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1)C(=O)NCc1ccco1 19166452 RXGYQLKACXWHTH-INIZCTEOSA-N 440.521 3.706 0 40 IHAB COc1cc(CN2CCC([C@@H]3C[C@H](C(=O)Nc4ccc(F)cc4)CN3C)CC2)ccc1O 19587657 GXDZFAJUVFBSHZ-UGKGYDQZSA-N 441.547 3.711 0 40 IHAB CC(=O)N[C@H]1C[C@@H](CCNC(=O)c2ccc(N(C)C)cc2)O[C@@H](c2cc(F)cc(F)c2)C1 19712436 ZTGKIZOWOIIYRJ-MDNUFGMLSA-N 445.510 3.576 0 40 IHAB Cc1cccc(CCN2C(=O)CCc3c(C)nc([C@H]4CCCN(C5CCOCC5)C4)nc32)c1 19741580 JKSASOMXEALUGA-QFIPXVFZSA-N 448.611 3.974 0 40 IHAB CS(=O)(=O)Nc1cccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 21004444 ZIQKPGIMHQEKCY-UHFFFAOYSA-N 449.576 3.606 0 40 IHAB COC(=O)[C@@H](c1ccccc1Cl)N1CCN(C(=O)CCNc2ccc(C)cc2)CC1 24969389 RJAPUUKGDBCFPK-JOCHJYFZSA-N 429.948 3.509 0 40 IHAB Cc1ccc(C(=O)N(Cc2cccc(Br)c2)C2CC2)cc1NS(C)(=O)=O 25090899 BCYPJDBVILDQRW-UHFFFAOYSA-N 437.359 3.934 0 40 IHAB O=C(CN1CCC[C@@H]1C(=O)NCc1ccco1)NCc1ccc(-c2ccc(Cl)cc2)o1 27142635 XUXHKSCAAWVIDI-HXUWFJFHSA-N 441.915 3.590 0 40 IHAB COc1ccc(-c2nc(CSCCC(=O)NC(=O)NCc3ccccc3)co2)cc1 27194546 BPDKNMIVWCIGMI-UHFFFAOYSA-N 425.510 4.000 0 40 IHAB Cc1cc(C(=O)COC(=O)c2ccc(Cl)c(N)c2)c(C)n1NC(=O)c1ccccc1 32838822 LOMVMPQWHCPCMF-UHFFFAOYSA-N 425.872 3.764 0 40 IHAB O=C(COC(=O)CCN1C(=O)S/C(=C/c2cccs2)C1=O)NC1CCCCCC1 35681437 ZLEJTAUQRDEISO-FOWTUZBSSA-N 436.555 3.557 0 40 IHAB CC[C@H](C)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(Cl)c1Cl)C(=O)OC 36584203 ZRFGYEOLMPCITA-LSKLOWJMSA-N 439.343 3.961 0 40 IHAB Cc1cc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)c2cnn(-c3ccccc3F)c2n1 36616256 CRCPRBGLZPXLKH-UHFFFAOYSA-N 444.514 3.872 0 40 IHAB Cc1occc1C(=O)Nc1nc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cs1 40132669 YOLYHEZLYJWMCW-UHFFFAOYSA-N 438.553 3.620 0 40 IHAB CCOC(=O)C[C@@H](c1ccccc1)C1CCN(CC(=O)NC(=O)NC2CCCCC2)CC1 40139330 GNNHFBGLUKPGIE-QFIPXVFZSA-N 443.588 3.594 0 40 IHAB CC(C)CN(C(=O)CCc1ccc(C(C)C)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 40140613 DNNOIUBHPDSRMA-UHFFFAOYSA-N 428.577 3.520 0 40 IHAB COc1ccc(-c2nc3ccc(NC(=O)CN4C(=O)c5ccccc5C4=O)cc3o2)cc1 41086045 WRUVULBPGOARSC-UHFFFAOYSA-N 427.416 3.738 0 40 IHAB CCN(CC)c1ccc(-c2noc(CN3CCN(c4ccccc4Cl)CC3)n2)cn1 49409720 OOZZQIQHQIKWRK-UHFFFAOYSA-N 426.952 3.953 0 40 IHAB C[C@H](Nc1ccc(N2CCCC2=O)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1 57845224 AYSCCIMYAWHSHB-KRWDZBQOSA-N 426.948 3.616 0 40 IHAB CC(C)Cc1ccc(S(=O)(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)nc2)cc1 58166681 OZSLEDUERNPDLR-UHFFFAOYSA-N 425.510 3.972 0 40 IHAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)c2cccc(N)c2)cc1 61894658 WTUZUVLFMSBLBZ-HSZRJFAPSA-N 429.476 3.812 0 40 IHAB CCN1c2ccccc2-c2nc(SCc3ccc4c(c3)OCO4)ncc2S1(=O)=O 67260054 QJJHBWJPUMNDEK-UHFFFAOYSA-N 427.507 3.693 0 40 IHAB CCCN(CCC)C(=O)CSc1nc(O)c2c(n1)CCN(Cc1ccc(F)cc1)C2 67291514 CMSRLMFZGYACED-UHFFFAOYSA-N 432.565 3.620 0 40 IHAB Cc1ccc(CNC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccco2)cc1 67335295 RUUGMVPHDRGWNW-UHFFFAOYSA-N 425.535 3.816 0 40 IHAB COc1ccc(OC)c(S(=O)(=O)NCC2CCN(c3nc4ccccc4s3)CC2)c1 70923714 CSYCFDWLJAUNOM-UHFFFAOYSA-N 447.582 3.508 0 40 IHAB Cc1noc(-c2cc(=O)n(CC(=O)NCc3cccs3)nc2-c2cccs2)c1C 72337651 ZRALLQJBLGCYTF-UHFFFAOYSA-N 426.523 3.622 0 40 IHAB CCCN(Cc1ccccc1)C(=O)Nc1cc(C(C)(C)C)nn1[C@@H]1CCS(=O)(=O)C1 95350308 QWGIXMYSJJJHOD-GOSISDBHSA-N 432.590 3.984 0 40 IHAB CCN(CC)CC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccc(OC)cc1OC 96024247 PLNZZESXVHTKSI-QFIPXVFZSA-N 425.529 3.732 0 40 IHAB O=C(C[C@H]1CC2(CCN(C(=O)COc3ccccc3)CC2)Oc2ccccc21)NC1CC1 96243209 HXPSYGAMEBXFMO-IBGZPJMESA-N 434.536 3.662 0 40 IHAB Cc1cccc(CN2CC[C@@H]3Oc4ccccc4S(=O)(=O)N(CC4CC4)[C@H]3CC2)c1 96263961 LNPZWCAANOZOKV-VXKWHMMOSA-N 426.582 3.821 0 40 IHAB COc1ccc(C)cc1N(CC(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2)S(=O)(=O)c1ccccc1 100604004 WIBSZVQHOOVFMP-QWFCFKBJSA-N 428.554 3.504 0 40 IHAB CC[C@H](NC(=O)C1=C(C)c2cc(OC)c(OC)cc2N(C)S1(=O)=O)c1ccc(C)cc1 219193838 SGBYZQICNLBMIC-SFHVURJKSA-N 444.553 3.790 0 40 IHAB COc1ccc(N2CCN(CC(=O)N3CCS[C@@H](c4ccccc4C)CC3)C2=O)cc1 219295568 ACTQBNYDXXXOEF-JOCHJYFZSA-N 439.581 3.952 0 40 IHAB O=C(c1cc(=O)[nH]c2ccccc12)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1 220700658 CSYWYWVMFTUYQS-HNNXBMFYSA-N 432.455 3.812 0 40 IHAB COc1ccc(-c2noc(CN(C)C(=O)COc3ccc4ccccc4c3)n2)c(OC)c1 222839021 IMXSULWSYBSNEG-UHFFFAOYSA-N 433.464 3.944 0 40 IHAB COc1ccc(N(CC(=O)NCc2cccc3ccccc23)S(C)(=O)=O)cc1Cl 222839972 IKMIISCBGQDLIT-UHFFFAOYSA-N 432.929 3.584 0 40 IHAB COc1ccc(/C=C/C(=O)N2c3ccc(S(=O)(=O)N4CCCCC4)cc3C[C@H]2C)cc1 223087296 FIMCNJIPQZIZNG-INMULRNOSA-N 440.565 3.861 0 40 IHAB CN(Cc1cccc(Oc2ccccc2)c1)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 223747839 MGLUJDCVAGVYJU-UHFFFAOYSA-N 431.535 3.703 0 40 IHAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1F 223986773 BQWFEPPKCZDMJV-NRFANRHFSA-N 430.520 3.937 0 40 IHAB COc1cccc(N(Cc2ccc(C(=O)NCC3=CCCCC3)cc2)S(C)(=O)=O)c1 224692303 HTMUZHGHNVZLGO-UHFFFAOYSA-N 428.554 3.892 0 40 IHAB COc1ccc(CN2CCc3nc([C@@H]4CCCN4C(=O)[C@@H]4CC=CCC4)nc(O)c3C2)cc1 247867452 BNQWYXJCFUPZJG-XXBNENTESA-N 448.567 3.769 0 40 IHAB COc1ccc(CN2CCc3nc([C@H]4CCCN4C(=O)C[C@@H]4C=CCC4)nc(O)c3C2)cc1 247909963 UBWKYTZCKVZNMI-WZONZLPQSA-N 448.567 3.769 0 40 IHAB COc1ccc(CCC(=O)N2CCN(C)C(=O)[C@@H]2Cc2cccc(-c3cccnc3)c2)cc1 257331659 XTSMCJHBRJTJNE-VWLOTQADSA-N 443.547 3.602 0 40 IHAB Cc1cccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)cc2)c1C 408671935 YKVAZPQCUPTPQC-BGYRXZFFSA-N 432.476 3.555 0 40 IHAB CCn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1ccccc1Cl 409344595 HJQCCOAKSIAXQO-UHFFFAOYSA-N 447.923 3.751 0 40 IHAB C[C@@]1(O)CCN(C(=O)c2ccccc2F)[C@@H](c2cccs2)[C@@H]1NC(=O)C1CCCC1 514290274 WYCUAOPPXBZMHX-SXWKCWPCSA-N 430.545 3.900 0 40 IHAB biogenic,in-vitro COc1cccc(CC(=O)N2CCN(C(=O)NC3CCC(c4ccccc4)CC3)CC2)c1 519975264 RJFZOMIWNIXIEW-UHFFFAOYSA-N 435.568 3.818 0 40 IHAB COc1ccccc1CN(C[C@H]1CCCO1)c1nnc(-c2cccc(OC)c2OC)n1C 570821992 FYJWAWURKMTHFU-GOSISDBHSA-N 438.528 3.694 0 40 IHAB Cc1cc(C(=O)N2CCCCN(C)C(=O)c3ccccc3OC[C@H]2Cc2ccccc2)no1 643560889 GLDYYGAOQVZEHW-OAQYLSRUSA-N 447.535 3.981 0 40 IHAB COc1ccc([C@](O)(C(=O)N2CCC[C@@H]2c2ccnc(N(C)C)c2)c2ccccc2)cc1 1848352655 ANZJBZMXCSBEPS-BVAGGSTKSA-N 431.536 3.756 0 40 IHAB O=C(NCc1ccccc1)[C@@H](c1ccc(F)cc1)N(Cc1ccco1)C(=O)c1cnccn1 931178 ACEXECSLYOTDEC-HSZRJFAPSA-N 444.466 3.909 0 40 IHAB CC(C)(C)C(=O)NC(=S)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1 1264679 AEGNKAMRKDAATE-UHFFFAOYSA-N 430.599 3.570 0 40 IHAB C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CNC4CCN(Cc5ccccc5)CC4)[C@H]3[C@@H](O)[C@@]21C 2102967 NILKEYZRQOIGIQ-INKRWSNDSA-N 438.612 3.526 0 40 IHAB biogenic Cc1ccc(S(=O)(=O)c2nc(S(=O)(=O)Cc3ccccc3)sc2Cl)cc1 2709067 FWSUPOBPIYOYGZ-UHFFFAOYSA-N 427.956 3.912 0 40 IHAB CCOc1ccc2[nH]c(=O)c(CN(CCCO)C(=S)Nc3ccc(C)cc3)cc2c1 4127696 MGAYVENGHPHXBO-UHFFFAOYSA-N 425.554 3.817 0 40 IHAB COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(C)c2C)cc(OC)c1OC 4262966 FHZULVPZEUCLDY-HXUWFJFHSA-N 425.485 3.596 0 40 IHAB COc1c(Cl)cc(C(=O)N(Cc2ccc(C)o2)[C@H]2CCS(=O)(=O)C2)cc1Cl 8611865 NIJFNQDTFNXRDZ-ZDUSSCGKSA-N 432.325 3.733 0 40 IHAB CCOc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)NCc3ccco3)CC2=O)cc1 8707423 RMMITGYKKLJSDN-KRWDZBQOSA-N 447.491 3.600 0 40 IHAB O=C(CCc1cccs1)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 9413497 DBFROVUEPKHGHP-UHFFFAOYSA-N 444.534 3.891 0 40 IHAB COc1ccc(-c2noc(CN3C(=O)NC(c4ccccc4)(c4ccccc4)C3=O)n2)cc1 9671700 ZQDLLBGIJPVWSL-UHFFFAOYSA-N 440.459 3.741 0 40 IHAB COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)N2C2CCCC2)cc1 9934047 QGGHNSFXUSDQTM-HXUWFJFHSA-N 425.460 3.943 0 40 IHAB CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)N[C@@H]1CCCc2ccccc21 10022259 WDDXJGZGZBJLTC-IRLDBZIGSA-N 442.943 3.831 0 40 IHAB O=C(NCCCN1CCCCC1)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl 10279673 DFYDZILYNMLXBE-UHFFFAOYSA-N 442.025 3.511 0 40 IHAB CS(=O)(=O)Nc1cccc(CNC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)c1 11374826 GBGXAODXBIBKTR-UHFFFAOYSA-N 446.532 3.841 0 40 IHAB COc1cc(NC(=O)CCc2csc(NC(=O)c3ccccc3)n2)cc(OC)c1OC 11835039 NWCVGCRUTYLBPT-UHFFFAOYSA-N 441.509 3.993 0 40 IHAB O=C(Cc1csc(-c2cccc(F)c2)n1)Nc1ccc(N2CCCS2(=O)=O)cc1 12261854 BEGAFICBISNQLT-UHFFFAOYSA-N 431.514 3.670 0 40 IHAB O=C(Cn1c(=O)cc(C(=O)N2CCCCC2)c2ccccc21)Nc1cc(F)ccc1F 12360171 IOBPJWALRGDPSM-UHFFFAOYSA-N 425.435 3.545 0 40 IHAB biogenic,in-vitro Cc1ccc(-c2nnc(S)n2CC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 12752975 CJENXJPKTSSJJF-UHFFFAOYSA-N 427.961 3.544 0 40 IHAB O=C(CCc1ccc(F)cc1)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 12756705 DWZJVMGURGUTGD-UHFFFAOYSA-N 428.895 3.806 0 40 IHAB CSCc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)c1 12947228 MODRUWZYUYDFMC-UHFFFAOYSA-N 444.622 3.575 0 40 IHAB COC(=O)c1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2cccnc2)cc1 13025310 VIVJPWILEOOBPI-QFIPXVFZSA-N 447.491 3.908 0 40 IHAB Cc1ccccc1N(CC(=O)NCc1ccc(F)cc1)C(=O)CCC(=O)Nc1ccccn1 13501283 WPZUULLGDYURBW-UHFFFAOYSA-N 448.498 3.597 0 40 IHAB CCOc1ccc(N(CC(=O)NC(C)(C)CC)C(=O)CCC(=O)Nc2nccs2)cc1 13501857 OCHDQEZKUABYBI-UHFFFAOYSA-N 446.573 3.599 0 40 IHAB O=C(Nc1ccccc1C(=O)NCCc1ccccc1)c1ccc(N2CCOCC2)cc1 14396438 LTRZBDFSHNEGSQ-UHFFFAOYSA-N 429.520 3.748 0 40 IHAB Cc1noc(C)c1COc1ccccc1C(=O)OCC(=O)Nc1cccc2nsnc12 19078466 FXCZJYSNRXXQDP-UHFFFAOYSA-N 438.465 3.671 0 40 IHAB Cc1ccc(-c2ccccc2C[C@@H]2CN(C(=O)C[C@@H]3CC(C)(C)OC3=O)CCNC2=O)cc1 19212843 XEGYMTFNUUSXSW-FGZHOGPDSA-N 448.563 3.511 0 40 IHAB CC(C)c1cc(C(=O)N2CC[C@@](Cc3cccc(-c4ccc(F)cc4)c3)(C(N)=O)C2)[nH]n1 19451720 YORBQPZDWIRLHR-VWLOTQADSA-N 434.515 3.900 0 40 IHAB CCCN1CCN(C(=O)c2cn(C)cn2)C[C@@H](Cc2cccc(-c3ccccc3)c2)C1=O 19503011 UPPBMVVPKZGYGJ-HSZRJFAPSA-N 430.552 3.640 0 40 IHAB O=C(Cc1ccc(F)cc1)N1CC[C@@H](c2ccc3c(NCc4ccccn4)n[nH]c3n2)C1 19704962 VOYLHUADKJGCRB-QGZVFWFLSA-N 430.487 3.663 0 40 IHAB Cc1nc([C@H]2CCCN(C(=O)Cc3ccccc3)C2)ncc1C(=O)NCc1ccc(F)cc1 19751933 WIRKCUGGCIGYDA-NRFANRHFSA-N 446.526 3.803 0 40 IHAB Cc1nc([C@H]2CCCN2C(=O)CCCn2ccnc2C)ncc1C(=O)Nc1ccccc1 19755316 QNTPLTMNTXHBDD-OAQYLSRUSA-N 432.528 3.686 0 40 IHAB CN(C(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1)C1CCCC1 20050858 AVYSTJZVVBOQHD-CQSZACIVSA-N 433.401 3.936 0 40 IHAB O=C(CSCc1ccccc1Cl)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 20493053 AOSIAEAZIZBSHF-UHFFFAOYSA-N 448.957 3.803 0 40 IHAB COc1ccccc1-c1nc(CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)cs1 20761515 RUYHOQSAHIXKLV-IBGZPJMESA-N 435.505 3.655 0 40 IHAB biogenic COc1ccc(S(=O)(=O)N(CC(=O)NC(C(C)C)C(C)C)c2ccccc2F)cc1 22386461 XKNPNKSHZYDVIB-UHFFFAOYSA-N 436.549 3.826 0 40 IHAB Cc1ccc(C)c(NC(=O)CSc2nnc3nc(O)c(-c4ccc(Cl)cc4)nn23)c1 22720395 IYFPYUMSTGXZKT-UHFFFAOYSA-N 440.916 3.893 0 40 IHAB O=C(Cn1nc(C2CC2)c2cnn(-c3cccc(Cl)c3)c2c1=O)NC1CCCCC1 22767950 WFYAVRXVPFFKMX-UHFFFAOYSA-N 425.920 3.562 0 40 IHAB Cc1nc2sc([C@@H](c3ccc(C(C)C)cc3)N3CCC4(CC3)OCCO4)c(O)n2n1 23157190 AKELTRMTGRSHDJ-GOSISDBHSA-N 428.558 3.857 0 40 IHAB O=C(Cc1csc(-c2ccco2)n1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 24368883 YFBRVNZLOJKEON-UHFFFAOYSA-N 431.539 3.759 0 40 IHAB O=C(CCNS(=O)(=O)c1ccccc1)NC[C@H]1CC2c3ccccc3C1c1ccccc12 24832841 UFAKMARMUYGXSB-UEXBFKPASA-N 446.572 3.769 0 40 IHAB COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)[C@@H](C)N(C(C)=O)c3cc(C)ccc32)S1 25501250 GJZPPRSSIHFLDU-SNVBAGLBSA-N 449.575 3.826 0 40 IHAB CC[C@@H](Oc1ccccc1F)C(=O)N(Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 28228489 BNWWNXUQMRBMQY-VQIMIIECSA-N 439.936 3.852 0 40 IHAB NC(=O)c1cccc(CNC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)c1 29143082 CKYPLMVXOCRLJP-OAQYLSRUSA-N 435.911 3.617 0 40 IHAB CC[C@@H](C)[C@H](C(=O)OCc1nc(-c2ccc(F)cc2)no1)N1C(=O)c2ccccc2C1=O 32672066 JBLVBDDEGYYHOH-BFUOFWGJSA-N 437.427 3.630 0 40 IHAB O=C(Nc1ccccc1)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccccc1 32932930 NHEFAQAXGWTZBR-QFIPXVFZSA-N 438.505 3.506 0 40 IHAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1NC(=O)CSc1nnnn1C 34863354 RVLRAAOTKCFQBD-IIDMSEBBSA-N 431.562 3.559 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(Cc4ccc(F)cc4)o3)C2)c(C)c1 35596933 IGHMWARRMNBHJW-SFHVURJKSA-N 429.517 3.985 0 40 IHAB Cn1c(=O)n(C)c2cc(NC(=O)C3CCN(Cc4c(F)cccc4Cl)CC3)ccc21 39772788 JQZRNBCWUBDKGO-UHFFFAOYSA-N 430.911 3.520 0 40 IHAB Cc1ccc(C)c(Oc2ccc(CNC(=O)CCN3C(=O)c4ccccc4C3=O)cn2)c1 40112431 YSQKJMVIOBPAGZ-UHFFFAOYSA-N 429.476 3.793 0 40 IHAB COc1cc(C(=O)Nc2nn3c(-c4ccc(Cl)cc4)nnc3s2)cc(OC)c1OC 41076527 LJHPPLWIWIPFKL-UHFFFAOYSA-N 445.888 3.784 0 40 IHAB Cc1cc(C)cc(N(CC(=O)Nc2ccccc2C(=O)O)S(=O)(=O)c2ccccc2)c1 44792072 LDUAXXGUXPHDCC-UHFFFAOYSA-N 438.505 3.836 0 40 IHAB CCCCn1c(=O)[nH]c2cc(-c3nc(-c4cccc(Br)c4)no3)ccc2c1=O 57510635 DJEQDIKEPOMCDL-UHFFFAOYSA-N 441.285 3.969 0 40 IHAB O=C(NCc1cccnc1Oc1cccc(F)c1)c1ccc(=O)n(Cc2ccccc2)n1 70020238 BMELNTAJIZKHEC-UHFFFAOYSA-N 430.439 3.548 0 40 IHAB Cc1cc(NC(=O)CN2C(=O)C(c3ccc(F)cc3)=NC2(C)C)ccc1Br 71769072 JOSYNUGXJFFVTF-UHFFFAOYSA-N 432.293 3.903 0 40 IHAB CC(C)n1c([C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)nc2ccccc21 72313116 RZGZYJCRMKJDKB-IBGZPJMESA-N 440.525 3.588 0 40 IHAB Cc1c(CN2CCC([C@H]3Nc4ccccc4S(=O)(=O)N3)CC2)[nH]c2ccc(F)cc12 72338943 VXFGZBXNAKYKJG-QFIPXVFZSA-N 428.533 3.558 0 40 IHAB Cc1nc(C)n(CCC(=O)NC2CCN(CC3(c4ccccc4F)CCCC3)CC2)n1 72393490 ZADPFXXJXJMYJW-UHFFFAOYSA-N 427.568 3.517 0 40 IHAB CCOC(=O)[C@@]1(Cc2cc(-c3cccc(F)c3)no2)CCCN(C(=O)c2ccccn2)C1 72394103 CKGKNSMQSWBKBT-XMMPIXPASA-N 437.471 3.904 0 40 IHAB COC(=O)N1CCc2ccc(Br)cc2[C@@H]1C(=O)Nc1cccc(C(C)=O)c1 77200082 GVJBPOIJDHHMAS-GOSISDBHSA-N 431.286 3.956 0 40 IHAB Cc1nc(Cl)sc1S(=O)(=O)N(CC(=O)Nc1ccccc1)Cc1ccco1 78307589 QBEYNKFXZANERS-UHFFFAOYSA-N 425.919 3.528 0 40 IHAB CO[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2cc(C)no2)CC1 100158000 VVJHJJUIJDGQBY-ZIFCJYIRSA-N 427.549 3.765 0 40 IHAB CC[C@H](NC(=O)CCCN(c1ccccc1)S(C)(=O)=O)c1ccc(OC)c(OC)c1 219175764 DBCCTQJYJMBXQO-IBGZPJMESA-N 434.558 3.518 0 40 IHAB CCOc1ccc(CCCNC(=O)[C@H](CC)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 220582649 VFCGXOQGSNJDPX-QHCPKHFHSA-N 446.613 3.996 0 40 IHAB CCOC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224621223 RLXRWECCXPGPEW-UHFFFAOYSA-N 436.288 3.900 0 40 IHAB COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2cccc(CN3CCCCC3)c2)c1 224698116 MTNJQKUQTIXHNM-UHFFFAOYSA-N 436.961 3.591 0 40 IHAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)Cc1ccc(OC)cc1 225542912 GUBPLFXAHCESRT-RUZDIDTESA-N 430.548 3.932 0 40 IHAB CCc1ccc(CC)c(CNC(=O)CN(c2ccc(OC(C)C)cc2)S(C)(=O)=O)c1 225587271 FKZIWGNZISYLII-UHFFFAOYSA-N 432.586 3.681 0 40 IHAB CSc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc1 225649167 NWPXAQWBLSGIND-LJQANCHMSA-N 448.610 3.756 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4sncc4c3)CC2)cc1C 226080542 ILDRIAVPESSPCH-UHFFFAOYSA-N 445.566 3.653 0 40 IHAB CCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cc5c(cc4C)n(C)c(=O)n5C)OCC[C@@]31C2 257203097 AORRPTPXJGGYLT-PCQHQVABSA-N 425.573 3.594 0 40 IHAB COc1cccc(CCNC(=O)[C@@H]2C[C@H]3CC[C@@]2(C)C[C@]32NC(=O)c3ccccc3N2)c1 257256057 KJXRPELNEPVHAC-WEFYCIJJSA-N 433.552 3.732 0 40 IHAB CNC(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)Cc2cccnc2)CC1 257301403 RYHZEEQRIUDWFA-UHFFFAOYSA-N 427.548 3.889 0 40 IHAB COC(=O)CN1C(=O)N/C(=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)C1=O 408547806 AADWGWGYQXIEDB-UDWIEESQSA-N 434.423 3.624 0 40 IHAB Cc1cccc(CSCCNC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)c1 408549053 WDSXDXUKLYDDRB-UHFFFAOYSA-N 444.981 3.603 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)CCc2ccc(S(=O)(=O)NCCC)cc2)cc1 408584579 ROGCVLLKXZBTCQ-UHFFFAOYSA-N 446.569 3.903 0 40 IHAB CCn1c(CNC(=O)c2ccccc2C)nn(CC(=O)Nc2cccc(F)c2C)c1=S 409163690 WIWWRJSZYNREPB-UHFFFAOYSA-N 441.532 3.759 0 40 IHAB CCc1ccc(-n2c(CCc3ccccc3)nnc2SCC(=O)NCCCOC)cc1 409209457 FOASMJUDJWMWCZ-UHFFFAOYSA-N 438.597 3.860 0 40 IHAB Cc1cccc(CSCCNC(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 409411991 PBQCKSPGSLHGMZ-LJQANCHMSA-N 434.627 3.816 0 40 IHAB Cn1c([C@H](NC(=O)C[C@H]2Oc3ccccc3NC2=O)c2ccccc2)nc2ccccc21 503156355 RNBHJAKSGHUEFB-FYYLOGMGSA-N 426.476 3.569 0 40 IHAB COCCn1c([C@@H](C)NC(=O)[C@@H](C(C)C)N2Cc3ccccc3C2=O)nc2ccccc21 504693386 WPZSRZATXSVFMF-VGOFRKELSA-N 434.540 3.541 0 40 IHAB O=C(c1cc(C2CC2)on1)N1CC[C@]2(CCc3nc(-c4ccccc4)cc(=O)n3CC2)C1 1614940712 JUGVEABGBZXPQS-VWLOTQADSA-N 430.508 3.645 0 40 IHAB Cc1ccc(OCC(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)cc2)c(C)c1 807623 UAMBVMZLRQQVDG-UHFFFAOYSA-N 433.508 3.876 0 40 IHAB COc1ccc(C(=O)NC(=S)Nc2ccc3nn(-c4ccc(C)cc4)nc3c2)cc1OC 881486 NMCNDMDGCNYJEV-UHFFFAOYSA-N 447.520 3.873 0 40 IHAB CCCCOc1ccc([C@@H]2C(C(=O)OCCOC)=C(C)N=C3SCCC(=O)N32)cc1 2484743 URSJIVZQKSDHMH-HXUWFJFHSA-N 432.542 3.705 0 40 IHAB COc1ccccc1NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1F 3333268 DEOLGYONSFHJEP-UHFFFAOYSA-N 428.485 3.664 0 40 IHAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)cc3)c(=O)n2[C@H]1/C=C/c1ccccc1 8398746 CFGHFDUJLFODEN-LUKFPPMSSA-N 444.556 3.772 0 40 IHAB COc1ccc(C(=O)Nc2nnc(S(=O)(=O)N(CC(C)C)c3ccccc3)s2)cc1 8587886 UXURGDZEVWBWMI-UHFFFAOYSA-N 446.554 3.650 0 40 IHAB CCCCNC(=S)N(Cc1ccco1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 8686580 DMNXZURCDGVAFK-UHFFFAOYSA-N 427.526 3.569 0 40 IHAB COc1cc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2cccnc2)ccc1O 8846104 AHGCFHMKWSXISH-QFIPXVFZSA-N 428.444 3.956 0 40 IHAB COc1ccccc1C[C@@]1(C)NC(=O)N(CC(=O)N[C@H](C)c2cccc3ccccc23)C1=O 8880684 IJXBQRVHGXOTPS-WGDIFIGCSA-N 445.519 3.579 0 40 IHAB CCCCCCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2ccc(OCC)cc2)n(C)c1=O 9015145 DSJHQBHYKPYCGN-KRWDZBQOSA-N 439.560 3.664 0 40 IHAB Cc1sc2ncn(CC(=O)N(C)Cc3ccc(Br)s3)c(=O)c2c1C 9255035 GLQPCWIRXIKHQM-UHFFFAOYSA-N 426.361 3.557 0 40 IHAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)c1C 9469546 JZINOBCGBPFNID-OAHLLOKOSA-N 449.573 3.568 0 40 IHAB Cc1ccc(Cn2c(=O)c3c(nc4n3C[C@H](C)CN4c3cccc(Cl)c3)n(C)c2=O)cc1 9519249 XBUPSBGUPSWTDN-MRXNPFEDSA-N 449.942 3.695 0 40 IHAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)c1C 9971988 JOBKIPLYEJEMHH-SCTDSRPQSA-N 446.569 3.507 0 40 IHAB CCOC(=O)c1c(NC(=O)Cn2cnc3c(oc4ccccc43)c2=O)sc2c1CCC2 10021582 GNKBPZDISZUZHP-UHFFFAOYSA-N 437.477 3.508 0 40 IHAB O=C(COC(=O)c1ccccn1)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 11077605 QPQYJHPBGNHICE-UHFFFAOYSA-N 449.532 3.747 0 40 IHAB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2ccccc2SC(F)F)cc1 11370040 DCRPOEOPVYPWSX-UHFFFAOYSA-N 443.493 3.655 0 40 IHAB CCOc1ccc(S(=O)(=O)Nc2cc(-c3cn4nc(OC)ccc4n3)ccc2C)cc1 12441331 KYTDGXKUOFGAIW-UHFFFAOYSA-N 438.509 3.913 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N(C)Cc2ccccc2)cc1OC 12758653 KZKSRQJCPJPWDP-UHFFFAOYSA-N 440.521 3.777 0 40 IHAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 12781069 YCSYZWUOQSSMMH-INIZCTEOSA-N 440.521 3.689 0 40 IHAB COc1ccc(C(=O)CSc2nnc(N3CCCC3)n2Cc2ccco2)c(OC)c1 12819681 ZBMIJDODGDYMLW-UHFFFAOYSA-N 428.514 3.512 0 40 IHAB Cc1ccc(S(=O)(=O)CCC(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)cc1 12863583 NXPNKJSWSLJHNG-UHFFFAOYSA-N 443.352 3.563 0 40 IHAB Cc1ccc(SCC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C 12867076 SPLDKJRCWNKPNW-UHFFFAOYSA-N 432.611 3.887 0 40 IHAB O=C(NC1CCCC1)[C@H](c1ccccn1)N(Cc1ccc(F)cc1)C(=O)c1csnn1 12872041 HFUAOBIDTVHRSS-FQEVSTJZSA-N 439.516 3.515 0 40 IHAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)CCOc2ccc(OCC)cc2)c1C 12993716 FCPNBEXPWCYAHI-MRXNPFEDSA-N 431.485 3.790 0 40 IHAB O=C(NCCc1cccs1)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 12999019 OFYDXJCCSGSFJQ-UHFFFAOYSA-N 446.516 3.527 0 40 IHAB Cn1c(SCC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)nnc1C1CC1 13028529 YFGAGDYQGDSDBC-UHFFFAOYSA-N 442.566 3.851 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN[C@@H](C)c1cccc(C(F)(F)F)c1 13039304 BCSTXEPDBPKFTC-AWEZNQCLSA-N 443.491 3.553 0 40 IHAB NC(=O)c1ccc(NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)cc1 13115135 KQPRPDQXUJAQNQ-UHFFFAOYSA-N 432.509 3.591 0 40 IHAB COc1ccc(-c2csc(NC(=O)CNC(=O)c3cc(C)cc(C)c3)n2)cc1OC 14226851 DHNMAEZJWFQVCH-UHFFFAOYSA-N 425.510 3.813 0 40 IHAB C[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)c1ccc(F)c(F)c1 14245046 FMAYNNLBCMZXOA-ZDUSSCGKSA-N 426.460 3.770 0 40 IHAB Cc1nn(C)c(C)c1NC(=O)[C@H](C)Sc1nnc(COc2ccc(Cl)cc2)n1C 15342398 JTYPMIVNGWYZQA-ZDUSSCGKSA-N 434.953 3.517 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1sc2nc3n(c(=O)c2c1C)CCC3 16101855 VSJYJVLMKVFIJU-UHFFFAOYSA-N 447.564 3.787 0 40 IHAB COc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc3c(c2)OCO3)ccc1C 17301881 WZRPTYUOPGQSMW-UHFFFAOYSA-N 440.477 3.785 0 40 IHAB COc1cccc([C@@H]2CN(C(=O)COc3c(C)cccc3C)C[C@]23CCCCC(=O)N3)c1 19236067 WJAXYCZWALJVGA-BKMJKUGQSA-N 436.552 3.746 0 40 IHAB COc1ccc(CC(=O)NCCn2cc(-c3ccc(Cl)cc3)c(-c3nccn3C)n2)cc1 19291556 FFCFBMIKRWJNNX-UHFFFAOYSA-N 449.942 3.972 0 40 IHAB COCCCNc1ncc(-c2ccc(F)cc2)c(-c2cnc(C3CCNCC3)nc2C)n1 19552681 DXBMIESTIRTKLI-UHFFFAOYSA-N 436.535 3.964 0 40 IHAB Cc1n[nH]cc1C(=O)N1CCC[C@@](Cc2ccccc2-c2ccncc2)(C(=O)NC(C)C)C1 19582363 YZBAWPHCFMKCPW-SANMLTNESA-N 445.567 3.770 0 40 IHAB COc1cccc(CN2CCN(C)C(=O)[C@H](Cc3ccccc3-c3cccnc3)C2)c1OC 19589646 ZEZFAZMVIZLCEZ-HSZRJFAPSA-N 445.563 3.899 0 40 IHAB Cc1nc(C2CCN(Cc3cccnc3N(C)C)CC2)nc2c1CCC(=O)N2C1CCCC1 19739355 XKMOWYCUQNJKBG-UHFFFAOYSA-N 448.615 3.847 0 40 IHAB COc1ccc(CN2C(=O)Cc3c(C)nc([C@H]4CCCN(C(=O)C5CCCC5)C4)nc32)cc1 19743838 LMIXRRMAMNSADR-FQEVSTJZSA-N 448.567 3.779 0 40 IHAB CC(=O)N1CCC[C@@H]1c1nc(CN(C)Cc2ccc3c(c2)CC(C)(C)O3)cc(N(C)C)n1 19760329 YPGWKHMQMADAIM-OAQYLSRUSA-N 437.588 3.572 0 40 IHAB O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)N1CCN(Cc2ccccc2)CC1 21005191 ZQMPZQDRYFGDHI-UHFFFAOYSA-N 441.531 3.560 0 40 IHAB CN(C(=O)COC(=O)c1ccc2c(c1)OCO2)[C@@]1(c2ccccc2Cl)CCCCC1=O 21577611 PNWTZPYPHAPSGP-HSZRJFAPSA-N 443.883 3.723 0 40 IHAB O=C(NCc1ccc(N2CCCC2=O)cc1)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 21599995 ZLGRBRUERYOVOB-KSJZQUJJSA-N 449.595 3.637 0 40 IHAB O=C(CCN1CCN(Cc2ccc(Br)s2)CC1)Nc1ccccc1F 22931131 NCKBVPOXWNHCLL-UHFFFAOYSA-N 426.355 3.796 0 40 IHAB Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)oc2NCCCN2CCOCC2)cc1 23118469 RUWCOKUHCHYZJQ-UHFFFAOYSA-N 441.553 3.617 0 40 IHAB CCn1ccc(C(=O)N(CCCN2CCOCC2)c2nc3ccc(Cl)cc3s2)n1 23128292 PDPRLIHDQANBKL-UHFFFAOYSA-N 433.965 3.535 0 40 IHAB COc1ccc(CN2CCN(C(=O)c3cc(C4CC4)nn3-c3ccccc3)CC2)cc1F 23738078 PQYZTIFSMDNGRP-UHFFFAOYSA-N 434.515 3.855 0 40 IHAB COc1ccnc(N2CCC(C(=O)Nc3ccnn3Cc3ccc(C(C)(C)C)cc3)CC2)n1 24803759 UTXNLIYMSNLVFL-UHFFFAOYSA-N 448.571 3.883 0 40 IHAB CCc1ccc([C@H](C)NC(=O)CCn2cnc3ccc(Br)cc3c2=O)cc1 24978095 NHBFFLQTUZXYQK-AWEZNQCLSA-N 428.330 3.989 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCC3 25170457 YMMQLESBVDLPHQ-UHFFFAOYSA-N 433.537 3.847 0 40 IHAB O=C(Nc1ccc(Cn2cncn2)cc1)[C@@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1 32093076 HRBJJNVYZJPSJO-CQSZACIVSA-N 430.295 3.625 0 40 IHAB CCn1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c2ccccc21 32787258 FXLQFBIPSLAXAG-UHFFFAOYSA-N 437.974 3.523 0 40 IHAB CCOc1ccc(NC(C)=O)cc1S(=O)(=O)N[C@H](c1ccccc1)c1ccccn1 33047992 BAZCYPCYWFOMFH-JOCHJYFZSA-N 425.510 3.507 0 40 IHAB C[C@H](NC(=O)c1ccccc1F)c1nnc(SCC(=O)Nc2cccc(Cl)c2)n1C 33664162 NFJBRTNQHYGTSW-LBPRGKRZSA-N 447.923 3.829 0 40 IHAB CC(C)C(=O)Nc1ccc2c([C@H](C(=O)O)N3CCN(Cc4cccs4)CC3)c[nH]c2c1 36360670 ABXSRYKYJSVDIY-OAQYLSRUSA-N 440.569 3.767 0 40 IHAB CCOC(=O)c1ccc2[nH]c(CSCC(=O)Nc3ccccc3OCC)cc(=O)c2c1 41077337 REULIZJAKZANJH-UHFFFAOYSA-N 440.521 3.975 0 40 IHAB CCOc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2OC)cc1 44904005 HFSDEFBGFDZOMD-KRWDZBQOSA-N 446.569 3.760 0 40 IHAB CCOC(=O)c1cc(C)n(CC(=O)N(c2cnn(C)c2)[C@@H](C)c2cccc(OC)c2)c1C 48344861 ZFJQYKWKPGIDRQ-KRWDZBQOSA-N 438.528 3.818 0 40 IHAB CCOC(=O)[C@H](c1ccc(F)c(F)c1)N(C)CC(=O)Nc1ccccc1Br 58268048 YUWUBEAYVGHNAM-SFHVURJKSA-N 441.272 3.902 0 40 IHAB O=C(Nc1ccc(Br)cn1)[C@@H]1CC(=O)N(c2ccccc2Br)C1 59251005 ZDMLJLQBIFICKS-SNVBAGLBSA-N 439.107 3.598 0 40 IHAB COCc1nnc(NC(=O)c2sc(-n3cccc3)nc2-c2ccc(OC)cc2)s1 61718397 HPWJBNJMYNXJPB-UHFFFAOYSA-N 427.511 3.860 0 40 IHAB COc1cccc2cc(-c3ccc(OCC(=O)N[C@H]4CCOC(C)(C)C4)cc3)c(=O)oc12 70666578 KVWLMVRJIDCWEN-SFHVURJKSA-N 437.492 3.921 0 40 IHAB biogenic Cc1ccc(C2(CN3CCC(NC(=O)COC[C@@H]4CCCO4)CC3)CCCCC2)cc1 72393592 YXHXOVZCLUZSNF-DEOSSOPVSA-N 428.617 3.973 0 40 IHAB Cc1ccc(O[C@H](C)C(=O)N2CCC([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)CC2)cc1 72395618 POPQRJYSOKTPBD-FHLIZLRMSA-N 437.466 3.580 0 40 IHAB O=C(CCCNC(=O)OCc1ccccc1)N[C@@H]1c2ccccc2CC[C@@H]1n1ccnc1 78975686 JCBBBJPSOBWUPY-LADGPHEKSA-N 432.524 3.935 0 40 IHAB COC(=O)[C@H](c1ccc(F)cc1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 89396212 FZUQNFLZDSVJHN-INIZCTEOSA-N 431.817 3.929 0 40 IHAB COc1cc(OC)cc(C2=NN(C(=O)CCCC(=O)O)[C@H](c3ccccc3OC)C2)c1 95532102 PAGHEZIQRAPKLX-FQEVSTJZSA-N 426.469 3.645 0 40 IHAB C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)[C@H](O)C[C@]5(C)[C@H]4CC(=O)[C@]3(C)[C@H]1[C@@H]2C 95913855 PBLXVDNSLUFVHF-CZYTWLIFSA-N 446.628 3.944 0 40 IHAB biogenic,in-vitro COC(=O)C[C@H](NCC(=O)Nc1ccc(Br)cc1Cl)c1cccs1 95941214 TUYGPFXHQQKCJV-ZDUSSCGKSA-N 431.739 3.997 0 40 IHAB O=S(=O)(c1ccccc1)N1CCCN(c2nc(C(F)(F)F)nc3ccccc23)CC1 95948969 ARCAEAISQHRTCH-UHFFFAOYSA-N 436.459 3.550 0 40 IHAB CC(C)OCCS(=O)(=O)N(Cc1ccccc1)C[C@@H](O)c1ccccc1C(F)(F)F 96006741 NNABDLRWBHJCLP-HXUWFJFHSA-N 445.503 3.996 0 40 IHAB CCN(CCN(C)C)C(=O)c1cnc(-c2noc3cc(N4CCCCC4)ccc23)s1 96154627 RJSPKRADNIKODN-UHFFFAOYSA-N 427.574 3.965 0 40 IHAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1CN(C(=O)c1ccccc1Cl)c1ccccc1 100396511 QQWSKVWZFKXLED-DQEBDXAXSA-N 432.907 3.997 0 40 IHAB COc1ccc(CN(C(=O)c2ccccc2)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2=O)cc1 100901741 CGEOFMBZFRAORS-QHCPKHFHSA-N 444.487 3.678 0 40 IHAB O=C(Nc1ccccc1Cl)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 102086633 XSYDMVWXURZHAF-BVWJVYMTSA-N 446.934 3.943 0 40 IHAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O 106866080 NFGYQCLKRPEOMK-OTPAQWSUSA-N 437.515 3.778 0 40 IHAB Cc1ccc(NC(=O)CSC(=S)N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1C 113480648 UDICMINBRYQXPT-IRXDYDNUSA-N 427.595 3.541 0 40 IHAB Cc1cccc(N([C@H](C)C(=O)NCCSc2ccc(Cl)cc2)S(C)(=O)=O)c1 220121811 LZTJYGTZGDZSOM-OAHLLOKOSA-N 426.991 3.711 0 40 IHAB C[C@H](CCc1ccccc1)NC(=O)[C@@H](C)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 220198910 WKUSJNWULIJZHC-HZPDHXFCSA-N 442.503 3.997 0 40 IHAB CC[C@@H](C(=O)Nc1nnc(SCC(C)C)s1)N(c1ccc(C)cc1)S(C)(=O)=O 223242060 NOGVWDGYDLJNTN-HNNXBMFYSA-N 442.632 3.778 0 40 IHAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2Cc2cccnc2)N1Cc1cccnc1 223454416 PVHKPIZKPZPVOL-DHIUTWEWSA-N 426.549 3.894 0 40 IHAB COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3cccc(Cl)c3)no2)cc1Cl 223588213 JVBIQZJFSOCNAX-UHFFFAOYSA-N 428.297 3.873 0 40 IHAB CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCc1ccc(OC)c(OC)c1 224217069 IRZLQDJXUFVXTQ-OAQYLSRUSA-N 426.557 3.888 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCCc1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 224864869 NALQTIDSIXKSRI-UHFFFAOYSA-N 446.466 3.750 0 40 IHAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2nc(-c3cccs3)no2)c1 225491785 MADOQYDEFYJHEJ-ATVHPVEESA-N 434.477 3.787 0 40 IHAB Cc1ccc(NC(=S)NCc2ccc(CN3CCCC3=O)cc2)cc1N1CCCC1=O 225650969 NLYQJFLRWONSSU-UHFFFAOYSA-N 436.581 3.731 0 40 IHAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(OC)c1)C(=O)COc1ccc(OC)cc1 225750031 VEVWKLGTBVEWFQ-JPYJTQIMSA-N 442.556 3.805 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCc2ccccc2)c1 225940303 SHLLHMBKMGQBHS-UHFFFAOYSA-N 436.577 3.853 0 40 IHAB COc1ccc(CN2CCO[C@@H](c3nnn4cc(-c5ccc(OC)cc5)ccc34)C2)cc1 306135476 OSANOHKVVPIIJD-XMMPIXPASA-N 430.508 3.987 0 40 IHAB CCOc1cc(C(=S)NCCN2CCOCC2)ccc1OCc1ccccc1Cl 408573277 JORZBPSRUKYOQT-UHFFFAOYSA-N 434.989 3.915 0 40 IHAB COc1ccc(C)cc1NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1C 408597555 ZESQDJSROIDZGT-UHFFFAOYSA-N 432.542 3.504 0 40 IHAB 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Cc1ccc(N(CC(=O)Nc2ccccc2C(=O)O)S(=O)(=O)c2ccc(F)cc2)cc1 14186108 ROSMHQWSRWPHBJ-UHFFFAOYSA-N 442.468 3.666 0 40 IHAB CCc1ccc(S(=O)(=O)NCCc2csc3nc(-c4ccccc4C)nn23)cc1 15783895 PNXPNYRKLYHRHI-UHFFFAOYSA-N 426.567 3.850 0 40 IHAB COc1ccc(CCN(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1OC 15846551 DBQWKJXADWSSKA-HSZRJFAPSA-N 446.547 3.746 0 40 IHAB CC(C)(C(=O)N1CCNC(=O)[C@H](Cc2ccc(-c3cccnc3)cc2)C1)c1ccc(F)cc1 19085045 OQPZHKMKILCZRV-JOCHJYFZSA-N 445.538 3.983 0 40 IHAB COc1ccc(-c2cc3nc([C@@H](C)NC(=O)c4ccc5c(c4)C[C@H](C)O5)nn3cn2)cc1 19498007 HZKCZKWHIYHNAA-LSDHHAIUSA-N 429.480 3.614 0 40 IHAB CCNC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CCN(C(=O)c2cc(C(C)C)n[nH]2)C1 19528977 CTCUCUQCOHLCCX-SANMLTNESA-N 445.567 3.806 0 40 IHAB COc1ccc(CC(=O)N2CCC(n3c(C)nc4sc(C)c(C)c4c3=O)CC2)cc1 19561195 SAVBIDIFCFEYHH-UHFFFAOYSA-N 425.554 3.798 0 40 IHAB COc1ccc(CN2CCN(C)C(=O)[C@H](Cc3ccccc3-c3ccncc3)C2)c(OC)c1 19589684 JVOZZOHZMNWPCF-HSZRJFAPSA-N 445.563 3.899 0 40 IHAB COC(=O)Cc1c(C)c2ccc3c(c2oc1=O)CN(CCc1ccc(Cl)cc1)CO3 19882514 SBZZDCUUTPXBHD-UHFFFAOYSA-N 427.884 3.865 0 40 IHAB CC[C@@H](NC(=O)C1CCN(S(=O)(=O)Cc2cccc(C)c2)CC1)c1ccc(OC)cc1 19934043 UUHRLUCGYCVPQM-HSZRJFAPSA-N 444.597 3.813 0 40 IHAB COc1ccc(C)cc1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 20008030 WJNSYERQKGEHCZ-OAQYLSRUSA-N 442.512 3.671 0 40 IHAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc(Cl)c1)N(CCN1CCOCC1)C3=O 20308225 IJINOUZSTVAPAZ-NRFANRHFSA-N 438.911 3.632 0 40 IHAB C[C@H](NC(=O)COc1ccc2c(C(F)(F)F)cc(=O)oc2c1)c1ccc2c(c1)OCCO2 22316899 QPWJSNFLFRUKAG-LBPRGKRZSA-N 449.381 3.839 0 40 IHAB O=C(NCc1nnc2n1CCCCC2)c1cn(Cc2ccccc2)nc1-c1ccccc1 24925091 CHNMSIWSFLSHKA-UHFFFAOYSA-N 426.524 3.846 0 40 IHAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 26567670 JHKXOVUXEFIKDS-OAQYLSRUSA-N 442.563 3.892 0 40 IHAB COc1cc(C)ccc1Oc1ccc(NC(=O)CCc2c(C)nc(SC)[nH]c2=O)cn1 29363983 YFDNCGXVOQMXEG-UHFFFAOYSA-N 440.525 3.876 0 40 IHAB Cc1ccc(F)cc1NC(=O)CSc1nnc(CNC(=O)c2ccccc2Cl)n1C 33732883 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CCOc1ccc2nc(NC(=O)CN3C[C@@H](C)N(Cc4ccco4)C[C@H]3C)sc2c1 57731521 UXOXBMQLQVNTJN-HZPDHXFCSA-N 428.558 3.821 0 40 IHAB CN(CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1)c1ccc(S(C)(=O)=O)cc1 58010503 RJBOASUZXNTETA-GOSISDBHSA-N 443.550 3.559 0 40 IHAB CCCN1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2OC)CC1 58156853 FWYGFSVFVYNWRF-UHFFFAOYSA-N 434.540 3.724 0 40 IHAB COc1ccccc1CC(=O)N1CCCN(C(=O)CCCc2c[nH]c3ccccc23)CC1 58166317 AHYNAFYCRZNPAC-UHFFFAOYSA-N 433.552 3.803 0 40 IHAB CCS(=O)(=O)c1ccccc1C(=O)NCc1ccc(CN2C[C@@H](C)C[C@@H](C)C2)cc1 59057579 AJDUPXGDEZQTMY-KDURUIRLSA-N 428.598 3.888 0 40 IHAB CCN1CCN([C@@H](C)CNc2nc(COC)nc3scc(-c4ccccc4)c23)CC1 60277692 WEKNHCXPEBJOQV-KRWDZBQOSA-N 425.602 3.943 0 40 IHAB C[C@H]1C[C@@H](C(N)=O)c2ccccc2N1Cc1nnc(-c2ccccc2Br)o1 63493508 HWXPQEYNQLTXFB-SWLSCSKDSA-N 427.302 3.867 0 40 IHAB CN(CC1CC1)C[C@@H]1CCN(CC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)C1 72308995 NVRMVWKLVWAEII-ICSRJNTNSA-N 426.586 3.683 0 40 IHAB O=C(Nc1cccc(N2CCCNC2=O)c1)c1cnn(-c2ccccc2F)c1-n1cccc1 84514932 OYGCTGMBIHMVJF-UHFFFAOYSA-N 444.470 3.974 0 40 IHAB O=C(CN1C(=O)NC(Cc2ccccc2)(Cc2ccccc2)C1=O)NC1CCCCCCC1 89830209 FDNDMGCLNGDQRV-UHFFFAOYSA-N 447.579 3.992 0 40 IHAB O=C(CN1CCc2nc(NC(=O)c3ccoc3)sc2C1)Nc1ccc(F)c(Cl)c1 90582807 UPUHXCUGFXPZFO-UHFFFAOYSA-N 434.880 3.778 0 40 IHAB CN1C[C@H]2C3(CCN(C(=O)c4cccc(Cl)c4)CC3)CC[C@@]2(C(=O)N2CCCC2)C1 96143854 RVRXENGENDZDID-GBXCKJPGSA-N 429.992 3.527 0 40 IHAB COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)c(OC)c1 101047178 MURCILWVRZTRIQ-VJBWXMMDSA-N 448.450 3.894 0 40 IHAB CCOc1ccc(NC(=O)C2CCC(N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@H]6C[C@H]56)[C@H]4C3=O)CC2)cc1 101967350 RVGFAGRWRVUULT-BIGUXUHKSA-N 434.536 3.636 0 40 IHAB COC(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(Br)cc1 113885996 LOKGRMKYIZGQDD-UHFFFAOYSA-N 436.686 3.610 0 40 IHAB O=C([C@H]1Cc2ccccc2CN1Cc1ccc(O)cc1)N1CCN(c2ccccc2F)CC1 199431610 KBLBANOIMONCSF-AREMUKBSSA-N 445.538 3.807 0 40 IHAB Cn1c(=O)oc2ccc(S(=O)(=O)N3CCS[C@H](c4ccccc4Cl)CC3)cc21 207001758 ZDWXGQJCLCPHIS-SFHVURJKSA-N 438.958 3.654 0 40 IHAB CC(C)Oc1ccc(CCCNC(=O)CCCN(c2ccccc2)S(C)(=O)=O)cc1 219169709 FFSPQFIGRHQFOZ-UHFFFAOYSA-N 432.586 3.769 0 40 IHAB CS(=O)(=O)N(CC(=O)NCc1ccc2ccccc2c1)c1cccc(Br)c1 222759758 FOPMBGPJKAOXNP-UHFFFAOYSA-N 447.354 3.685 0 40 IHAB Cc1ccc(C)c(NC(=O)c2cnc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)nc2)c1 223388016 DEGXRXFOIVUVJL-UHFFFAOYSA-N 444.944 3.820 0 40 IHAB CCN(Cc1ccc(C(=O)NCCCc2ccco2)cc1)S(=O)(=O)c1ccccc1 224451977 NYZONJWNUINHJV-UHFFFAOYSA-N 426.538 3.853 0 40 IHAB Cc1ccc(CN(C)S(=O)(=O)c2nnc(NC(=O)c3ccccc3Cl)s2)cc1 224491093 YJLYOWVUNROTOY-UHFFFAOYSA-N 436.946 3.573 0 40 IHAB CCOC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)c(Br)c2)c(C)c1 224887106 YMDBSCNDJFVOOK-UHFFFAOYSA-N 442.331 3.768 0 40 IHAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1ccc(N2CCCCC2)cc1 224978834 OZVVDVOWMNBEAN-UHFFFAOYSA-N 445.585 3.507 0 40 IHAB CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CSCc1ccc(OC)cc1 225041530 FTLQMAIRNXIIIU-IBGZPJMESA-N 428.598 3.914 0 40 IHAB CCOC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(OC)c(F)c1 225101982 HRQPKLDMRQAQNT-UHFFFAOYSA-N 435.395 3.612 0 40 IHAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2cnc(O[C@@H]3CCOC3)c(Cl)c2)CC1 253402627 OMMPOWQIZOMDTO-QGZVFWFLSA-N 436.339 3.827 0 40 IHAB CCN1CCN(C(=O)c2cc(C(C)C)n[nH]2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O 257303529 SHPBUJJSSDDLDX-OAQYLSRUSA-N 445.567 3.758 0 40 IHAB COc1cc2c(cc1CN1CCO[C@@H](c3ccc(Nc4cccc(C)n4)cn3)C1)OCCO2 257310468 UFEJTNURJGNITH-XMMPIXPASA-N 448.523 3.882 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCCc3ccc(Cl)cc3)C2)cc1 260888558 BJSXNIYNJBUHTC-IBGZPJMESA-N 434.989 3.798 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCCSc1ccc(Cl)cc1)c1ccc(F)cc1 408706333 BNWYPOVVQDMZKT-UHFFFAOYSA-N 444.981 3.934 0 40 IHAB COc1ccccc1CN(C)[C@H]1[C@H](NC(=O)OC(C)(C)C)C[C@@H](Oc2ccccc2)[C@@H]1O 585263207 MZFZLJAYZXGQOO-LGKPFJOYSA-N 442.556 3.601 0 40 IHAB COc1ccc2ccccc2c1CNC(=O)CC1(c2oc(C)cc(=O)c2O)CCOCC1 1547139578 UHVUMDRJLUMXFS-UHFFFAOYSA-N 437.492 3.570 0 40 IHAB biogenic Cc1cc(C(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c(C)n1-c1cnccn1 1587538498 BTUVXLOZULPXEL-UHFFFAOYSA-N 443.473 3.861 0 40 IHAB Cc1c(C(=O)OCC(C)C)sc2ncn([C@H](C)C(=O)Nc3ccc(F)cc3)c(=O)c12 1980632 OAKQNJJJJLTJET-CYBMUJFWSA-N 431.489 3.918 0 40 IHAB COC(=O)Cc1c(C)c2ccc(OCC(=O)c3c(C)n(C)c4ccccc34)cc2oc1=O 2094490 QVBMRKZWEISUQY-UHFFFAOYSA-N 433.460 3.879 0 40 IHAB biogenic O=C(CSc1nc2ccccc2c(=O)[nH]1)Nc1cccc(OC(F)(F)C(F)F)c1 2549802 MLWVYYALFRGRQE-UHFFFAOYSA-N 427.379 3.891 0 40 IHAB CCOCCCn1c(SCC(=O)N[C@H](C)c2ccccc2)nc2ccccc2c1=O 2647575 KGSHEUMGGIJXHH-QGZVFWFLSA-N 425.554 3.793 0 40 IHAB Cc1cccc(-n2nc3c(c2NC(=O)c2ccc(OC(C)C)cc2)CS(=O)(=O)C3)c1C 3009531 HHFIJQLOVPWSFN-UHFFFAOYSA-N 439.537 3.957 0 40 IHAB O=C(COc1cccc2ccc(N3CCOCC3)nc12)Nc1ccc(OC(F)(F)F)cc1 8769596 LWNYOYMZMCYVPF-UHFFFAOYSA-N 447.413 3.988 0 40 IHAB CC(=O)Nc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)cc1 8883187 KXBUQKJHPPPCOM-UHFFFAOYSA-N 435.933 3.725 0 40 IHAB C[C@@H](NC(=O)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)c1ccc(-c2ccccc2)cc1 8894738 OPIYTSIOYLYJMK-GOSISDBHSA-N 441.487 3.522 0 40 IHAB COC(=O)c1sc(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)nc1C 9142357 YLZGPFCFJKBDAP-UHFFFAOYSA-N 441.534 3.944 0 40 IHAB Cc1cnc(C(=O)Nc2cccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)cn1 9203425 BDTOSAIEDIBELA-UHFFFAOYSA-N 436.415 3.857 0 40 IHAB O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl)Nc1ccccc1Cl 9225948 PHHQWFQGHAFWII-UHFFFAOYSA-N 429.325 3.795 0 40 IHAB Cc1ccc(CN(C(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)[C@@H]2CCS(=O)(=O)C2)o1 9431341 DFCVOSRMQKVGRJ-JKSUJKDBSA-N 425.934 3.533 0 40 IHAB O=C(COC(=O)c1ccccc1SCC(=O)NCc1ccccc1)NCc1ccccc1 9441005 DIMXWHGWVIRZPO-UHFFFAOYSA-N 448.544 3.568 0 40 IHAB Cc1[nH]c(SCc2cccc(S(=O)(=O)N3CCOCC3)c2)nc1Cc1ccccc1 9467095 SAXHYHFTVXRYHV-UHFFFAOYSA-N 443.594 3.622 0 40 IHAB Cc1ccc(C)c(-n2nnnc2SCC(=O)OCC(=O)C23CC4CC(CC(C4)C2)C3)c1 9493061 QIIMRCHQRISESG-UHFFFAOYSA-N 440.569 3.700 0 40 IHAB Cc1ccc(Nc2cc(C)nc(N3CCN(C(=O)[C@H](C)Oc4ccccc4)CC3)n2)cc1 9573241 XMUUCKYZDGIASD-FQEVSTJZSA-N 431.540 3.953 0 40 IHAB Cc1ccc(C2=NN(C(=O)Cn3c(C)nc4ccccc4c3=O)[C@@H](c3ccco3)C2)cc1 9593187 QMWXTMCWNIQAFQ-JOCHJYFZSA-N 426.476 3.984 0 40 IHAB Cn1c(SCC(=O)Nc2ccc(N3CCOCC3)cc2)nnc1-c1ccc(Cl)cc1 9632043 WJVLRYKJCGBTMC-UHFFFAOYSA-N 443.960 3.703 0 40 IHAB COc1ccc(NC(=O)C2CCC(C(C)(C)C)CC2)cc1S(=O)(=O)N1CCOCC1 9683992 VJWHISUMJPNEHS-UHFFFAOYSA-N 438.590 3.507 0 40 IHAB Cc1nc2ccccc2c(=O)n1-c1cccc(NS(=O)(=O)c2ccc(F)cc2F)c1 9707405 PSXHVYAOAOSPEC-UHFFFAOYSA-N 427.432 3.773 0 40 IHAB CCN(CC)CCn1c2c(c(SCC(=O)Nc3cccc(Cl)c3)nc1=O)CCCC2 9747034 WJUAVARZFVWKOP-UHFFFAOYSA-N 449.020 3.848 0 40 IHAB CCc1ccc(CN(C(=O)COc2ccc(Cl)c(C)c2)[C@H]2CCS(=O)(=O)C2)cc1 9972185 XCRDIZDEHKFLOY-IBGZPJMESA-N 435.973 3.806 0 40 IHAB Cc1nn(C)c(C)c1S(=O)(=O)N(C/C=C/c1ccccc1)c1ccc2c(c1)OCCO2 10219817 HCENQLILVPIRQR-JXMROGBWSA-N 439.537 3.717 0 40 IHAB COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(OC(F)F)cc1 12289287 VOGOUAOYRZXLDN-GOSISDBHSA-N 427.411 3.816 0 40 IHAB CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccc2SCC(F)(F)F)cc1 12604810 KRTODAZDGCGTCU-UHFFFAOYSA-N 425.475 3.545 0 40 IHAB CC[C@H]1CCc2sc(C(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)cc2C1 12675376 NHCGOPDQALUXIP-HNNXBMFYSA-N 434.583 3.536 0 40 IHAB O=C(NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1cncn1-c1ccc(F)cc1 12742196 IWLAXOWTANRKMV-UHFFFAOYSA-N 438.772 3.656 0 40 IHAB COc1ccc(Cl)cc1-c1n[nH]c(S[C@H](C(=O)N2CCOCC2)c2ccccc2)n1 12803934 NAKRXMCZVQQNNZ-SFHVURJKSA-N 444.944 3.826 0 40 IHAB CC[C@H](C)[C@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1)C(=O)O 12891052 LBFDNUQRUTVLLN-RXYZOABWSA-N 426.513 3.860 0 40 IHAB biogenic Cc1c(NC(=O)COC(=O)c2c(Cl)cccc2Cl)c(=O)n(-c2ccccc2)n1C 13149182 ZETCTHSURZTXOJ-UHFFFAOYSA-N 434.279 3.587 0 40 IHAB Cc1cc(C)cc(-n2ncc3c(=O)n(CC(=O)N(C)Cc4ccc(Cl)s4)cnc32)c1 13149588 PHJKIDCKBLQPGM-UHFFFAOYSA-N 441.944 3.573 0 40 IHAB Cc1cc(C)n([C@H](C)CC(=O)N2CCC[C@H](c3nc4ccc(F)cc4cc3C(N)=O)C2)n1 13225333 AYDQLYCTNOLLQQ-SJORKVTESA-N 437.519 3.643 0 40 IHAB CC[C@H](C)NC(=O)CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(C)cc1 13940222 IYRMANQCWMEWRO-HNNXBMFYSA-N 426.941 3.893 0 40 IHAB O=C1NC2(CCCCCC2)C(=O)N1Cc1nnc(-c2ccc(Br)s2)o1 14200752 DSJGCEOFOJVIKU-UHFFFAOYSA-N 425.308 3.705 0 40 IHAB CCCCN1C(C)=NS(=O)(=O)c2cc(C(=O)Nc3ccc(NC(C)=O)cc3)ccc21 15867648 PYVWKQIORUMVAI-UHFFFAOYSA-N 428.514 3.625 0 40 IHAB CC(=O)Nc1ccc(NC(=O)c2ccc(N3C(=O)[C@@H]4CC(C)=C[C@@H](C)[C@H]4C3=O)cc2)cc1 16034857 PADVOKDFVJTERK-UJUVCNOISA-N 431.492 3.989 0 40 IHAB COc1ccc(NC(=O)[C@H](OC(=O)[C@@H]2CCCN2C(=O)c2ccco2)c2ccccc2)cc1 16129372 HJIZMJIHDDASHE-RBBKRZOGSA-N 448.475 3.816 0 40 IHAB c1cnc(N2CCN(c3ncc(-c4ccc5c(c4)OCO5)c(-c4cccs4)n3)CC2)nc1 19343933 WNQXJTIUFIWEMJ-UHFFFAOYSA-N 444.520 3.717 0 40 IHAB O=C(OCc1nc(-c2ccc(F)cc2)no1)c1ccccc1S[C@@H]1CCS(=O)(=O)C1 19471770 FYJZGYGPQSAGED-OAHLLOKOSA-N 448.497 3.512 0 40 IHAB CCCN1CCN(C(=O)c2cnccn2)C[C@H](Cc2ccc(-c3cccs3)cc2)C1=O 19502906 SEBMCGYNGYVBMY-FQEVSTJZSA-N 434.565 3.758 0 40 IHAB CCNC(=O)[C@@]1(Cc2cccc(-c3ccc(F)cc3)c2)CCN(C(=O)c2ccn(CC)n2)C1 19529078 VVLXLWROOSLRTD-AREMUKBSSA-N 448.542 3.920 0 40 IHAB CCOC(=O)c1cnn2c1N[C@H]([C@H]1CCCN(C(=O)C3CCCC3)C1)C[C@@H]2C(F)(F)F 19530908 GQXCVLDKYJQCFJ-BHYGNILZSA-N 442.482 3.776 0 40 IHAB COc1cccc(CC(=O)N2CCC[C@@H](c3cc(N(C)C)nc(-c4ccncc4)n3)C2)c1 19584554 ARVZSHJBNIPUER-HXUWFJFHSA-N 431.540 3.562 0 40 IHAB CCNC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)c2snnc2C)CC1 19700314 IDCZKUKLECHIPX-UHFFFAOYSA-N 449.580 3.510 0 40 IHAB COc1cccc(CNC(=O)c2cnc([C@H]3CCN(Cc4ccc(F)cc4)C3)nc2C)c1 19758236 PRVFZJPBWJZQMN-FQEVSTJZSA-N 434.515 3.852 0 40 IHAB C[C@@H]1CC(=O)c2c(nc(N3CCN(C(=O)c4ccco4)CC3)nc2Nc2ccccc2)C1 20801898 JCNTYAUDBZQIQK-INIZCTEOSA-N 431.496 3.541 0 40 IHAB CCN(Cc1nc2ccccc2c(=O)[nH]1)Cc1nc(-c2cccc(Br)c2)no1 23882895 UAKUPZYKRNMQCC-UHFFFAOYSA-N 440.301 3.758 0 40 IHAB Cn1c(SCC(=O)N2CCC[C@@H]2c2cccs2)nnc1[C@@H]1COc2ccccc2O1 24630756 MERHYVBSOJLINH-PBHICJAKSA-N 442.566 3.845 0 40 IHAB CCOC(=O)N1CCC(NC(=O)c2cccc(OCc3cn4cccc(C)c4n3)c2)CC1 25081194 FSNBCNNDLPFZSA-UHFFFAOYSA-N 436.512 3.572 0 40 IHAB CCc1ccc([C@@H](CNC(=O)[C@H]2Cc3ccccc3CN2C(=O)c2ccco2)N(C)C)cc1 32734515 FJWCXDLZTIXRDF-DNQXCXABSA-N 445.563 3.828 0 40 IHAB CCCN(CC(=O)Nc1ccccc1C)C(=O)COC(=O)c1ccc2nc(C)c(C)nc2c1 32741751 NBDUDOMOYRKIPL-UHFFFAOYSA-N 448.523 3.589 0 40 IHAB O=C(CCSCc1cc(=O)n2c3c(sc2n1)CCCC3)N1CCc2ccccc21 32778762 CAOYVLHMWRSODQ-UHFFFAOYSA-N 425.579 3.847 0 40 IHAB COCCn1c(SCCC(=O)NC2CCCCC2)nc2sc3c(c2c1=O)CCC3 32870955 GYSRRZKVOKTMIC-UHFFFAOYSA-N 435.615 3.524 0 40 IHAB CCn1c(SCC(=O)Nc2cccc(F)c2)nc2c3cc(OC)ccc3n(C)c2c1=O 33287517 XQSKRQYFMQQMHI-UHFFFAOYSA-N 440.500 3.787 0 40 IHAB COc1ccc([C@@H](C)NC(=O)CCc2nnc3ccc(-c4ccc(C)cc4)nn23)cc1OC 33309546 BGPYGGFQXJXHOZ-QGZVFWFLSA-N 445.523 3.927 0 40 IHAB Cc1nn(-c2ccccc2)c2nc(Cl)c([C@@H]3NC(N)=Nc4nc5ccccc5n43)cc12 38257299 UKDFWGUICFFROD-LJQANCHMSA-N 428.887 3.828 0 40 IHAB O=C1C[C@H](C(=O)Nc2ccc(Cl)cc2)c2c(nc(Nc3cccc(Cl)c3)[nH]c2=O)N1 40399379 BAAKMKUVXAOOTP-AWEZNQCLSA-N 444.278 3.885 0 40 IHAB CCc1c(C)sc2ncn([C@H]3CCCN(C(=O)CCn4ncc5ccccc54)C3)c(=O)c12 72347739 PZGGTPPKKVJOOH-SFHVURJKSA-N 449.580 3.932 0 40 IHAB CCCOc1ccc(CC(=O)N2CCNC(=O)[C@H]2Cc2ccccc2-c2ccncc2)cc1 72351508 IVSVXTIZWOUXRP-RUZDIDTESA-N 443.547 3.650 0 40 IHAB O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1I 95471729 LRMIZLFLCLYSLO-UHFFFAOYSA-N 439.640 3.925 0 40 IHAB CCCCc1nc(C)sc1C(=O)N1CCN(Cc2ccc(OC)c(OC)c2OC)CC1 95477466 XUECPHDUZZPWKT-UHFFFAOYSA-N 447.601 3.778 0 40 IHAB O=C(C[C@@H]1CC2(CCN(C(=O)Nc3ccccc3)CC2)c2ccccc21)N1CCOCC1 96242178 QLZURMPWAMZVAH-HXUWFJFHSA-N 433.552 3.989 0 40 IHAB CCCOC(=O)c1cccc(NC(=O)CSc2nnc(COc3ccccc3)o2)c1 107950780 FZOIURLRRRZOLR-UHFFFAOYSA-N 427.482 3.946 0 40 IHAB CCOC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Br)cc1 113874324 ZJLAZIZUHZFZCW-UHFFFAOYSA-N 432.723 3.861 0 40 IHAB COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)Nc1ccc(F)c(Cl)c1)=C2C 219189381 LGCXQSCSUFNGTG-UHFFFAOYSA-N 440.880 3.646 0 40 IHAB CSc1cccc(N(CC(=O)Nc2cccc(Br)c2)S(C)(=O)=O)c1 220059866 PYBVUBSNGZHCLH-UHFFFAOYSA-N 429.361 3.576 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)Nc1ccc(F)cc1F 223552716 HQNVBFDKLSXKEA-UHFFFAOYSA-N 438.496 3.719 0 40 IHAB CC[C@@H](C(=O)NCCOc1cccc2ccccc12)N(c1ccccc1F)S(C)(=O)=O 223563697 ZRYLMRIIUIJCRS-FQEVSTJZSA-N 444.528 3.719 0 40 IHAB Cc1ccccc1-c1noc(CN(C)S(=O)(=O)Cc2cccc(Br)c2)n1 223636872 WNYRACQQUZILJR-UHFFFAOYSA-N 436.331 3.769 0 40 IHAB COCc1cccc(NS(=O)(=O)c2ccc(SC)c(C(=O)N3CCCCC3)c2)c1 224322138 DQQJMMNIYIUQIY-UHFFFAOYSA-N 434.583 3.982 0 40 IHAB CSc1nnc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3C)c2)s1 224704531 PIHOHPCCNWYLIS-UHFFFAOYSA-N 434.568 3.930 0 40 IHAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc(N2CCCCC2)cc1 224978607 IQJIASLRXFGXSN-JOCHJYFZSA-N 445.585 3.869 0 40 IHAB CSc1cccc(N(CC(=O)Nc2nnc(-c3ccc(C)cc3)s2)S(C)(=O)=O)c1 225209428 LQWODVSJVZWCFI-UHFFFAOYSA-N 448.595 3.640 0 40 IHAB O=C(c1cccc(Oc2ncccn2)c1)N1CCC[C@H](Cc2cn3ccnc3cn2)CC1 257217259 CYFKUFSWXJYBII-SFHVURJKSA-N 428.496 3.797 0 40 IHAB CN(c1ccc(Cl)c(C(=O)NC[C@H]2CCCO2)c1)S(=O)(=O)c1ccc(Cl)cc1 260565545 PVSXJISEYNDJGT-OAHLLOKOSA-N 443.352 3.727 0 40 IHAB Cc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OCC(=O)Nc1cccc(F)c1 408596601 WZVIJQCVWCGSJR-UHFFFAOYSA-N 440.496 3.903 0 40 IHAB CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2F)c(Cl)c1 408636916 WBOYNPSMCWBHMY-UHFFFAOYSA-N 432.876 3.714 0 40 IHAB Cc1ccccc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)c4ccccc4C3=O)cc2)CC1=O 408672676 VTJDBOGJJAJLLG-QGZVFWFLSA-N 440.455 3.754 0 40 IHAB COC(=O)c1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1C 408701033 QIPCQJZSWAUFFO-UHFFFAOYSA-N 430.526 3.599 0 40 IHAB CC(=O)Oc1cccc(/C=c2/sc3nc4c(Br)c(C)c(C)cc4n3c2=O)c1 408980797 XSVYXZSHOZVMEY-CXUHLZMHSA-N 443.322 3.762 0 40 IHAB CCOCCCNC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1 409127922 KHFRWBIHTNBHGR-UHFFFAOYSA-N 438.977 3.695 0 40 IHAB O=C(CNS(=O)(=O)c1ccc(Br)cc1)Nc1cc(Cl)cc(Cl)c1 409141225 HHKKAWDODTZWCJ-UHFFFAOYSA-N 438.130 3.673 0 40 IHAB Cc1ccc(N2C(=O)[C@@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)C2=O)c(C)c1 409297588 KZLSIMAQLUPHJJ-SZPZYZBQSA-N 443.455 3.628 0 40 IHAB O=C(CN1C(=O)S/C(=C/c2cccc(O)c2)C1=O)Nc1ccccc1Br 409351448 URGSPZNEPXUMOU-OQLLNIDSSA-N 433.283 3.830 0 40 IHAB CC[C@H]1CN(C(=O)NCc2nc(-c3ccc(Cl)cc3)c(C)s2)CCN1C[C@@H](C)O 541444631 SAMHDUFYCHUZCF-KDOFPFPSSA-N 437.009 3.759 0 40 IHAB COc1ccccc1Cc1nnc(N2CCO[C@H]([C@H]3CCCO3)C2)n1CCc1ccccc1 670156095 KBYZVXHGXDVJGN-RPWUZVMVSA-N 448.567 3.504 0 40 IHAB C[C@@H](C(=O)N1CCC(O)(Cc2nc(C(C)(C)C)cs2)CC1)N1CCc2ccccc2C1 1557961844 DEVQBVRFVHCSKU-SFHVURJKSA-N 441.641 3.783 0 40 IHAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(I)cc3)CC2=O)cc1C 637485 QIIAXQBVDVPTIR-AWEZNQCLSA-N 434.277 3.900 0 40 IHAB CCOC(=O)C1=C(c2ccccc2)N(C)C(=O)N[C@H]1c1ccc(OC(F)F)c(OC)c1 707418 BZHVDOVKFPHFTE-SFHVURJKSA-N 432.423 3.967 0 40 IHAB CCCn1c2ccccc2c2nnc(SCC(=O)NCc3ccc4c(c3)OCO4)nc21 974290 XNZOCGCNRYBSPS-UHFFFAOYSA-N 435.509 3.527 0 40 IHAB CCOc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(OC)ccc1OC 1241599 FFDZQWXGDYMPMZ-HXUWFJFHSA-N 427.526 3.534 0 40 IHAB Cc1cc(=O)oc2cc(OCC(=O)OCC(=O)c3ccc(Br)cc3)ccc12 2490321 LMTIRUBBEDWUNH-UHFFFAOYSA-N 431.238 3.669 0 40 IHAB CCOC(=O)c1sc2nc(CSc3nnc(-c4ccccc4)n3C)[nH]c(=O)c2c1C 2615860 ZGWLDYKODPZNRX-UHFFFAOYSA-N 441.538 3.558 0 40 IHAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1[nH]c(C)c(C(C)=O)c1C 2661824 RHNNPZCQVPSKCS-UHFFFAOYSA-N 429.517 3.720 0 40 IHAB CCOC(=O)c1c(NC(=O)COC(=O)c2cccc(OC(F)F)c2)sc(C)c1C 3249898 NETWQKDOFSFWBG-UHFFFAOYSA-N 427.425 3.939 0 40 IHAB CCOCCCn1c(SCC(=O)Nc2cc(C)ccc2OC)nc2ccccc2c1=O 3339827 ZEJMDXNCJHEYLZ-UHFFFAOYSA-N 441.553 3.871 0 40 IHAB CCOc1ccccc1-n1nnnc1SCC(=O)c1cc(C)n(C[C@@H]2CCCO2)c1C 3542825 AREYGWUVLMEUJV-KRWDZBQOSA-N 441.557 3.633 0 40 IHAB CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1CCN1CCN(c2ccccc2)CC1 4214776 RXAVJRAUFOPBOO-UHFFFAOYSA-N 437.540 3.727 0 40 IHAB in-man Cc1ccc(N2C[C@H](NC(=O)N3CCN(c4ccccc4Cl)CC3)CC2=O)cc1C 5087752 NLAKHXIEXNUFGH-GOSISDBHSA-N 426.948 3.594 0 40 IHAB Cc1ccc(C2=NN3[C@@H](C2)c2cc(C)ccc2OC32CCN(S(C)(=O)=O)CC2)cc1 5500726 VFYZGVZRHPPMOJ-NRFANRHFSA-N 425.554 3.599 0 40 IHAB CC(C)COc1cccc(C(=O)NC(=S)Nc2ccccc2N2CCN(C)CC2)c1 6245549 IRMMVGNJPOTLJA-UHFFFAOYSA-N 426.586 3.600 0 40 IHAB COc1ccccc1NC(=O)Cn1c(=O)n(-c2ccccc2)c(=O)c2oc3ccccc3c21 8683823 KAQOFMSVXXWDAM-UHFFFAOYSA-N 441.443 3.546 0 40 IHAB O=C1NC(=O)[C@]2(Cc3cc(C(F)(F)F)ccc3N3CCCC[C@@H]32)C(=O)N1c1ccccc1 8694599 DRZXBJKKIOTUEP-XMSQKQJNSA-N 443.425 3.890 0 40 IHAB CCOc1ccccc1-n1nnnc1SCC(=O)Nc1nc(C)c(Cl)cc1Cl 8825085 UFHHHFKKGFHMEB-UHFFFAOYSA-N 439.328 3.802 0 40 IHAB C[C@H](C1CC1)N(CC(F)(F)F)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 9222877 WEBYSRLDRHJCFZ-MLGOLLRUSA-N 438.899 3.683 0 40 IHAB COc1cccc([C@H]2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2c2nnc(C)s2)c1 9348876 XZUNIXIPHCZCHK-SFHVURJKSA-N 435.461 3.720 0 40 IHAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 9364855 HEAZNVMKQPDBRW-UHFFFAOYSA-N 440.503 3.783 0 40 IHAB CCc1ccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 9442388 DGLILTHQJPKSPZ-UHFFFAOYSA-N 444.553 3.609 0 40 IHAB Cn1nc(C(=O)Nc2nc3nc(-c4ccccc4)cc(C(F)(F)F)c3s2)ccc1=O 9469783 UOWAMEMYJWNVAV-UHFFFAOYSA-N 431.399 3.723 0 40 IHAB COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)Nc1ccc(N2CCCCC2)cc1 9579638 UBTVRDKWDANIIN-UHFFFAOYSA-N 444.963 3.848 0 40 IHAB O=S(=O)(c1ccc(Oc2ncnc3sc4c(c23)CCCCC4)cc1)N1CCOCC1 9640519 VBFYAZVFMUNRSO-UHFFFAOYSA-N 445.566 3.773 0 40 IHAB Cc1ccc(C(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1C 9662439 HAKXNWJHUZNYNE-UHFFFAOYSA-N 444.553 3.582 0 40 IHAB O=C(CSc1nc2c(oc3ccccc32)c(=O)n1C[C@@H]1CCCO1)Nc1nccs1 9750998 AXDSLFYKWXGQEU-LBPRGKRZSA-N 442.522 3.509 0 40 IHAB C[C@H](Sc1nccn1Cc1ccccc1)C(=O)Nc1sc2c(c1C(N)=O)CCC2 9863598 MENNXIWCZKXHIR-ZDUSSCGKSA-N 426.567 3.700 0 40 IHAB COc1ccc(CN(C(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)C2CC2)cc1 9888715 XJDHLSCBRNWVIQ-UHFFFAOYSA-N 442.581 3.921 0 40 IHAB Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCCCN2CCC(C)CC2)cc1 9919609 JTEMHHVCOVVDOQ-UHFFFAOYSA-N 429.586 3.648 0 40 IHAB C[C@H]1Cc2ccccc2N1C(=O)CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1 10145577 HQYALWNKSWGOJH-FUHWJXTLSA-N 435.549 3.645 0 40 IHAB CSc1cccc(N2C[C@H](C(=O)OCc3cc(=O)oc4c(C)c(O)ccc34)CC2=O)c1 10264967 WPXNKTZPTUVNKN-CQSZACIVSA-N 439.489 3.625 0 40 IHAB CCOc1cc(C(=O)OCC(=O)Nc2cc(C)ccc2OC)cc(OCC)c1OCC 10751114 VYMFWSLDQVEDSV-UHFFFAOYSA-N 431.485 3.995 0 40 IHAB C[C@H](OC(=O)C1c2ccccc2Oc2ccccc21)C(=O)NCc1ccc2c(c1)OCO2 10797917 GCJZKVSZWVJKEI-HNNXBMFYSA-N 431.444 3.901 0 40 IHAB Cn1/c(=N\C(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)sc2cc(F)ccc21 11853031 QXOMSYQSKMAEBJ-XTQSDGFTSA-N 447.557 3.685 0 40 IHAB COc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3)nn2[C@H]2CCS(=O)(=O)C2)cc1 11996864 IKNALHUTTROKCV-KRWDZBQOSA-N 445.928 3.824 0 40 IHAB CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)c1 12260113 PBTYJUFDRWNJMM-UHFFFAOYSA-N 431.514 3.826 0 40 IHAB COc1ccc(OC)c([C@@H]2c3cccn3CCN2S(=O)(=O)c2ccc(F)cc2F)c1 12361758 HPXJPFNHTXEYEE-OAQYLSRUSA-N 434.464 3.577 0 40 IHAB CNC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(I)cc1 12416628 VHGTVAZCSAJJRB-QGZVFWFLSA-N 444.276 3.676 0 40 IHAB Cc1ccc(NC(=O)/C=C/c2ccc3c(c2)OCO3)cc1S(=O)(=O)N1CCCCCC1 12686822 BWCCTAXBYXYBDH-DHZHZOJOSA-N 442.537 3.940 0 40 IHAB Cc1ccc(NC(=O)[C@H](OC(=O)[C@H]2CCCN(C(N)=O)C2)c2ccccc2)cc1Cl 12689011 PLEZGBJXKWKUFL-QFBILLFUSA-N 429.904 3.662 0 40 IHAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)CSc3nc4ccccc4o3)cc2)C1 12712127 ATTGYFMRKAQJCH-OAHLLOKOSA-N 445.566 3.979 0 40 IHAB CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CCCN1C(=O)c2ccccc2C1=O 12727280 SSWYIHMUJNZDRM-UHFFFAOYSA-N 438.509 3.613 0 40 IHAB C[C@@H](NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)c1ccccc1Br 12803824 GKXQCWOBXALJFQ-CYBMUJFWSA-N 437.359 3.652 0 40 IHAB COC(=O)c1ccc(OC[C@@H](O)CN2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 12857342 UEKVKIUUCNQONB-MSOLQXFVSA-N 426.538 3.702 0 40 IHAB CCC(C)(C)NC(=O)[C@@H](c1ccncc1)N(C(=O)c1csnn1)c1cccc(F)c1 12870245 GVHCGJOZIUQABK-GOSISDBHSA-N 427.505 3.765 0 40 IHAB COc1ccc(-c2csc(NC(=O)CCN3C(=O)COc4ccccc43)n2)cc1OC 12885631 WOKADCZICVFULW-UHFFFAOYSA-N 439.493 3.582 0 40 IHAB COc1cc(Br)c(CC(=O)Nc2ccc(N3CCCC3=O)cc2)cc1OC 12985931 VMSTVCJVGGMSAF-UHFFFAOYSA-N 433.302 3.774 0 40 IHAB CC(C)C[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)NCc1ccc(Cl)cc1 13592339 CSLYRKLLSCMRJM-IBGZPJMESA-N 439.947 3.950 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)COc2cccc3cccnc23)c1 14123825 UXQPHEDREVLLEH-UHFFFAOYSA-N 447.944 3.936 0 40 IHAB C[C@H](Sc1nc(CN2CCOCC2)nc2ccccc12)C(=O)N1CCc2ccccc21 14710524 OMVXATDQGDWCJL-KRWDZBQOSA-N 434.565 3.532 0 40 IHAB O=C(NCc1ccccc1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 15336995 UGSUTIIIVDZQFY-UHFFFAOYSA-N 427.353 3.711 0 40 IHAB Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@@H]2CCCN(C(=O)Cc3ccccc3F)C2)n1 19290145 IRXNOZMZKFTNOW-LJQANCHMSA-N 448.546 3.565 0 40 IHAB O=C(c1cccs1)N1CCc2nc([C@H]3CCCN(C[C@H]4CC=CCC4)C3)[nH]c(=O)c2C1 19342773 WKAOEZGAOOTWFQ-ROUUACIJSA-N 438.597 3.566 0 40 IHAB CC(C)c1nc(N2CCC(NC(=O)c3ccc4c(c3)OCO4)CC2)ncc1-c1ccncc1 19451653 NYWIRSWTLIJDPK-UHFFFAOYSA-N 445.523 3.790 0 40 IHAB CC(C)c1cc(C(F)(F)F)c2c([C@H]3CCCN(C(=O)CCn4cncn4)C3)noc2n1 19452022 NQAHCQUAHUKJAY-ZDUSSCGKSA-N 436.438 3.753 0 40 IHAB Cc1nc([C@@H]2CCCCN2C(=O)Cn2cccn2)nc2c1CCCN2Cc1ccccc1 19706272 VJMVKJOGNBIDFF-QFIPXVFZSA-N 430.556 3.688 0 40 IHAB O=C(Nc1ccc(C(F)(F)F)cc1)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 19857492 OYWYLQNPTIAJTP-MRXNPFEDSA-N 426.460 3.886 0 40 IHAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(F)c(Cl)c2)c1 22229872 LOXVRDPECSMIPI-QGZVFWFLSA-N 426.897 3.588 0 40 IHAB CCNc1nn(CC(=O)Nc2cccc(C)c2)c(N)c1-c1nc(-c2ccccc2C)no1 23125429 ATYYXWNMBPFGNG-UHFFFAOYSA-N 431.500 3.870 0 40 IHAB O=C(CN1CCN(Cc2nc(-c3ccc(F)cc3)cs2)CC1)Nc1ccc(F)cc1F 23145338 RSYPKNQUOOLGBV-UHFFFAOYSA-N 446.498 3.984 0 40 IHAB CN(C1CCCCCC1)S(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 24755098 VHHAESCZJQDPKD-UHFFFAOYSA-N 430.357 3.883 0 40 IHAB COc1ccccc1NC(=O)[C@@H](C)OC(=O)[C@H](C)SCC(=O)Nc1ccc(C)cc1 24791702 MQJKVICBYQTVQB-CVEARBPZSA-N 430.526 3.634 0 40 IHAB CCCc1cc(=O)oc2cc(OCC(=O)Nc3cc(Cl)ccc3-n3cncn3)ccc12 25319850 KAVPMWJFJKUWIQ-UHFFFAOYSA-N 438.871 3.997 0 40 IHAB CCCCCN(C(=O)c1nn(C)c(=O)c2ccccc12)c1nc(C)c(C(=O)OCC)s1 25883953 LPTMLSYONJKHEB-UHFFFAOYSA-N 442.541 3.712 0 40 IHAB O=C1c2ccc(C(=O)N3CCC[C@H]3c3nnc4ccccn34)cc2C(=O)N1C1CCCCC1 27160803 TVNCIPZUDJCRPK-FQEVSTJZSA-N 443.507 3.635 0 40 IHAB COc1ccc(C2=NN(C(=O)c3ccc(Br)cc3)[C@](O)(C(F)(F)F)C2)cc1 32100955 VHBRFUDFECHFTC-QGZVFWFLSA-N 443.219 3.959 0 40 IHAB Nc1nc(SCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)nc2sccc12 32841109 VZUFQLCVJFYMTR-AWEZNQCLSA-N 428.539 3.501 0 40 IHAB CC(=O)c1c(C)nc(C2CC2)nc1SCC(=O)N[C@H](C)c1ccc2c(c1)OCCO2 32908167 FRASBAJTFQNUEP-GFCCVEGCSA-N 427.526 3.606 0 40 IHAB Cc1ccc2[nH]c3c(=O)n(CCC(=O)N4CCN(c5ccccc5Cl)CC4)cnc3c2c1 35424245 URURJMLKNRYIHC-UHFFFAOYSA-N 449.942 3.579 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N[C@H](C)CCc2ccccc2)cc1C 39986224 RKUYWOJBMQTAOM-LJQANCHMSA-N 432.586 3.542 0 40 IHAB Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccc(F)cc4)[nH]c(=O)c32)cc1Cl 40399748 MAJSNDDFJRQIJP-CQSZACIVSA-N 441.850 3.679 0 40 IHAB CC[C@@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2C)CC1)c1ccc(OC)cc1 44841316 MYHMYPSLWQHDOH-HSZRJFAPSA-N 444.597 3.813 0 40 IHAB CCOc1ccc([C@H](C)NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc1 44950019 JYBWVEHZPJRRNT-KRWDZBQOSA-N 426.538 3.882 0 40 IHAB O=C(Nc1ccc(Cn2cncn2)cc1)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 49551082 MGHBRAOITBINNS-AWEZNQCLSA-N 430.295 3.625 0 40 IHAB COc1ccc([C@H](C)NC(=O)c2nnn(-c3ccc(Br)cc3)c2C)cc1OC 51318017 YXYMBRXNYGQXSZ-LBPRGKRZSA-N 445.317 3.846 0 40 IHAB O=C(Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2ccccc21)Nc1ccccc1F 57473107 JGKPGJJMBYLWTH-UHFFFAOYSA-N 437.858 3.643 0 40 IHAB CCCN(CCC)CCCC(=O)Nc1ccc(OCC)c(S(=O)(=O)N(CC)CC)c1 58379572 MMGVCWAIILDVQE-UHFFFAOYSA-N 441.638 3.957 0 40 IHAB COc1ccc(C(=O)NC(=S)Nc2c(C)ccc3nsnc23)cc1Br 59438377 JKAPZRSWAXWRPL-UHFFFAOYSA-N 437.344 3.898 0 40 IHAB CC(C)Oc1cc(CCC(=O)N2CCNC(=O)[C@@H]2Cc2ccc(-c3ccccc3)cc2)on1 72351387 OMXGWGXOYBESLD-QHCPKHFHSA-N 447.535 3.631 0 40 IHAB COc1ccc(CN(C)CC(=O)NCCc2cccc3cccnc23)cc1OC(F)F 78336332 KGFSTOYZPWKTAD-UHFFFAOYSA-N 429.467 3.636 0 40 IHAB O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1ccc2c(c1)C(O)=Nc1cccnc1O2 79488726 ZHJCXLJJSRAGCH-UHFFFAOYSA-N 441.440 3.765 0 40 IHAB CCOC(=O)c1csc(NC(=O)c2cc(-c3ccc(Br)s3)[nH]n2)n1 95479745 CPEHUFUNIJQAOP-UHFFFAOYSA-N 427.305 3.786 0 40 IHAB CS[C@@H]1CN(C(=O)Nc2cccc(COCCOc3ccccc3)c2)C[C@@H]1N(C)C 95996501 CWXTUUJFTIGVFC-FCHUYYIVSA-N 429.586 3.792 0 40 IHAB O=C(OCCN1C(=O)COc2ccc(Br)cc21)[C@H]1SCCc2ccccc21 97233628 KZJVXYKOOJVDKL-IBGZPJMESA-N 448.338 3.748 0 40 IHAB CCOc1ccc(CCN2C(=O)[C@H](C(=O)O)[C@@H]3C[C@]2(C)Oc2ccccc23)cc1OCC 100213404 PBDBDEWPQZIOMJ-KPCPBYSCSA-N 439.508 3.852 0 40 IHAB CN(C)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(Cl)cc(Cl)c3n2C)cc1 100823860 WJTKOSSPHFRLAZ-JZJYNLBNSA-N 444.365 3.538 0 40 IHAB CC(C)c1ccccc1OC[C@H](O)Cn1c(=O)c(-c2ccccc2)[n+]([O-])c2ccccc21 101980748 JTRVEBPSCDDFAJ-HXUWFJFHSA-N 430.504 3.865 0 40 IHAB CCOC(=O)[C@@H](C(=O)CSc1nnc(-c2ccc(C)cc2)n1C)c1nc(C)cs1 103034697 PGXJPHYXLWICOB-INIZCTEOSA-N 430.555 3.564 0 40 IHAB CSCC[C@@H]1C[C@H](C(=O)Nc2ccc(F)cc2)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc12 106807729 JOHRRPUZINTVMC-QLVMHMETSA-N 433.936 3.996 0 40 IHAB CCOC(=O)c1cc(NC(=O)[C@@H](CC)N(c2ccccc2)S(C)(=O)=O)ccc1Cl 216337417 XIZLVNSXRVBOKG-GOSISDBHSA-N 438.933 3.700 0 40 IHAB 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O=C(CCC(=O)N1CC[C@H](Oc2ncc(Br)cn2)C1)c1ccc(Cl)cc1 585147186 WGGCHMAHUOALMO-HNNXBMFYSA-N 438.709 3.535 0 40 IHAB CCCN1C[C@H](C(=O)N2CCC(c3cccc(Nc4ncc(C)s4)n3)CC2)CC1=O 585262631 KXPWQVJGVJXENP-QGZVFWFLSA-N 427.574 3.555 0 40 IHAB CCOC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3[C@H](C[C@H](O)[C@]12C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O 1547208468 FPDXMWHJGOCDQJ-YXOCLZPRSA-N 436.633 3.927 0 40 IHAB Cc1nc2ccccc2c(=O)n1CC1CCN(C(=O)C2(c3ccccc3)CCOCC2)CC1 1888963706 YQEVKSJHVFIUCY-UHFFFAOYSA-N 445.563 3.692 0 40 IHAB CCC(=O)N1c2ccc(S(=O)(=O)N(C(=O)CC)c3cccc(OC)c3)cc2C[C@H]1C 2049305462 BYRQJLNBMXIVRD-OAHLLOKOSA-N 430.526 3.515 0 40 IHAB COc1ccc(OC)c(N(CC(=O)Nc2cccc(C)c2)S(=O)(=O)c2ccccc2)c1 821457 JMDBXJGKEISGEB-UHFFFAOYSA-N 440.521 3.846 0 40 IHAB CCOc1ccc2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=S)NCc3ccco3)cc2c1 879493 FYHRPNUJKRFXIZ-HXUWFJFHSA-N 441.553 3.576 0 40 IHAB CC(C)(C)N(Cc1ccccc1)C(=O)CSc1nnc(Cn2nnc3ccccc32)o1 905517 WNCSLYQEVNXOPS-UHFFFAOYSA-N 436.541 3.782 0 40 IHAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 3191675 BKAWYJBIPCNRLH-UHFFFAOYSA-N 438.505 3.752 0 40 IHAB CC(=O)c1ccc(N2CCN(Cc3cc(=O)n4c(-c5ccccc5)csc4n3)CC2)cc1 3290989 IAXHOQBZVRYGKW-UHFFFAOYSA-N 444.560 3.948 0 40 IHAB CCCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 8782423 MVFNIRKXWPCRIJ-KRWDZBQOSA-N 434.583 3.898 0 40 IHAB Cc1ccccc1NC(=O)Cn1cnc2c(sc3nc4c(cc32)COC(C)(C)C4)c1=O 9193568 RRHCUSZBLYDXNR-UHFFFAOYSA-N 434.521 3.805 0 40 IHAB COc1cc(C)c(C(=O)CSc2nnc(CNC(=O)c3cccc(C)c3)n2C)cc1C 9290102 BMGHBBHDMYIMPN-UHFFFAOYSA-N 438.553 3.654 0 40 IHAB CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(C(C)(C)C)cc3)c2C(N)=O)C1 9347517 XQRYWSCTCIKVDJ-UHFFFAOYSA-N 429.542 3.911 0 40 IHAB CCOC(=O)c1c(C)[nH]c(C(=O)CN(C)CC(=O)Nc2ccccc2C(F)(F)F)c1C 9508657 OTVOSLPYZJCTEH-UHFFFAOYSA-N 439.434 3.580 0 40 IHAB CC(C)(C)c1ccc(C(=O)NCc2nnc(SCC(=O)N3CCCCCC3)o2)cc1 9518569 VBBLEIFCQGPFFA-UHFFFAOYSA-N 430.574 3.792 0 40 IHAB CCCN1C(SCC(=O)Nc2cccc(C(C)=O)c2)=NS(=O)(=O)c2ccccc21 9530292 XOGGLNVZODRFLO-UHFFFAOYSA-N 431.539 3.536 0 40 IHAB O=C(COC(=O)c1cccc(Cl)c1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 10648486 ZICGSZYGDHWJIO-UHFFFAOYSA-N 442.821 3.991 0 40 IHAB Cc1cc(C)c2sc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)nc2n1 11666336 SSXGTVCRRGDDSB-UHFFFAOYSA-N 430.555 3.735 0 40 IHAB CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1 12138187 BWCJLZMKBVTISN-GOSISDBHSA-N 441.553 3.509 0 40 IHAB CNS(=O)(=O)c1cc(C(=O)NCCc2ccc(-c3csc(C)n3)s2)cc(C)c1C 12396775 KJWQKSZWYAHOHZ-UHFFFAOYSA-N 449.623 3.677 0 40 IHAB C[C@@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)N(C)Cc1ccc(Br)cc1 12782199 BZBZCFVHHOGPSJ-NSHDSACASA-N 436.375 3.557 0 40 IHAB COc1ccc2c(c1)c(CC(=O)N1CCN(C)CC1)c(C)n2C(=O)c1ccc(Cl)cc1 12797932 ITZXGGAPJFMWMH-UHFFFAOYSA-N 439.943 3.617 0 40 IHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccccc3)n[nH]2)cc1 12903790 QAVXQPJWWUKBGR-UHFFFAOYSA-N 447.520 3.939 0 40 IHAB CCc1sc(C(=O)Nc2ccc(S(=O)(=O)N(C)C3CCN(C)CC3)cc2)cc1C 12933482 MCGRZRLAOAEQNR-UHFFFAOYSA-N 435.615 3.586 0 40 IHAB COc1ccccc1NC(=O)CSc1nnc(-c2ccoc2C)n1C[C@@H]1CCCO1 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29214326 WKFYVRGRWXSEMY-UHFFFAOYSA-N 447.354 3.674 0 40 IHAB COc1ccc([C@@H](CNC(=O)c2c(-n3cccc3)sc(C)c2C)N2CCOCC2)cc1 29901092 WUJKYNBUHWZKCE-OAQYLSRUSA-N 439.581 3.968 0 40 IHAB CC1=C[C@@H](CNC(=O)CCC(=O)O)[C@H](C(C)C)C[C@H]1CC(=O)N(C)Cc1ccccc1 30880149 SJEWYKMCYHMACI-FKBYEOEOSA-N 428.573 3.871 0 40 IHAB biogenic,in-vitro Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ccc4c(c3)CCO4)CC2)c(C)c1 31342505 JHXSSFOXJPVCDD-UHFFFAOYSA-N 428.554 3.586 0 40 IHAB COc1ccc(NC(=O)N2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)cc1 31662415 QAIALEMUCQLMTF-UHFFFAOYSA-N 427.892 3.748 0 40 IHAB CN(Cc1c(F)cccc1Cl)C(=O)CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O 32636493 ULXKXXADTLDSPP-QHCPKHFHSA-N 443.906 3.611 0 40 IHAB CCOc1ccc(NC(=O)c2cc3cc(F)ccc3[nH]2)cc1S(=O)(=O)N1CCCC1 32760272 QHVPTFKGJKITPR-UHFFFAOYSA-N 431.489 3.743 0 40 IHAB CCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 32787166 VWCANZNBNULTDG-REWPJTCUSA-N 439.581 3.620 0 40 IHAB CCCn1c(=O)c2cc(Cl)ccc2n2c(SCC(=O)NCc3ccccc3)nnc12 33255041 HRKINQFVEBDXMG-UHFFFAOYSA-N 441.944 3.516 0 40 IHAB COc1ccc(C2=NC3(CCN(C)CC3)N=C2SCC(=O)Nc2ccc(F)cc2)cc1 35372688 UPMYGHHYVURNSO-UHFFFAOYSA-N 440.544 3.829 0 40 IHAB CCc1ccc([C@@H](Cn2cnc3c4c(sc3c2=O)SCC(=O)N4)N2CCCC2)cc1 35671569 GPDURFMIQAYBHW-MRXNPFEDSA-N 440.594 3.902 0 40 IHAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)cc1C 40071830 HPWCYCUSSWCYDJ-QGZVFWFLSA-N 444.553 3.708 0 40 IHAB Cn1ccnc1COc1ccc(NC(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)cc1 40134905 BRQKQRBBGMRRCS-UHFFFAOYSA-N 442.401 3.851 0 40 IHAB O=C(Nc1nccs1)[C@H]1CCCN(Cn2nc(-c3cccnc3)n(C3CC3)c2=S)C1 40149249 GTUSXVTVQSINFT-HNNXBMFYSA-N 441.586 3.576 0 40 IHAB Cc1ccc(OCC(=O)Nc2cccc(OCc3cc(=O)n4c(C)csc4n3)c2)cc1 41085726 QZQRKBQFOFGOJY-UHFFFAOYSA-N 435.505 3.969 0 40 IHAB Cc1ccc(CCCNC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)cc1 44909557 DSAHNCSKXZRCBU-JOCHJYFZSA-N 444.597 3.569 0 40 IHAB O=C(CCCN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(Oc2ccc(F)cc2)nc1 48287541 GGJRCLFVQOUHMI-UHFFFAOYSA-N 426.448 3.596 0 40 IHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCNc1ccc(Nc2ccccn2)nn1 49422416 VRPBTVBYIGNTQY-UHFFFAOYSA-N 426.908 3.654 0 40 IHAB C[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1cccc(N2C(=O)NC[C@H]2C)c1 58357195 CJPRDKCNJWHISJ-VXGBXAGGSA-N 436.281 3.912 0 40 IHAB CCCNC(=O)c1ccc(Cl)cc1NC(=O)Cn1cnc2c(oc3ccccc32)c1=O 59775125 HMVDCADPOHDJAJ-UHFFFAOYSA-N 438.871 3.575 0 40 IHAB CCc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccccc2Br)c1C 67322366 YMOBVBKKZSPQOI-UHFFFAOYSA-N 442.317 3.802 0 40 IHAB C[C@@H]1CN(CC2CCN(CCS(=O)(=O)c3cc(Cl)ccc3Cl)CC2)C[C@@H](C)O1 69923636 PYQZBVFXPRPHTA-HZPDHXFCSA-N 449.444 3.588 0 40 IHAB CN1CCC(C(=O)N2CCC[C@H](c3nc(N)ncc3-c3ccc(C(F)(F)F)cc3)C2)CC1 72346258 WWIZXGILYBVWCX-KRWDZBQOSA-N 447.505 3.792 0 40 IHAB CCN1CCN(C(=O)c2cccc(N(C)C)c2)[C@H](Cc2cccc(-c3ccncc3)c2)C1=O 72351691 JKKAXZUMIRPOJT-RUZDIDTESA-N 442.563 3.730 0 40 IHAB COc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)c(OC)c1 89651222 ASSAVCFOHJRXLS-UHFFFAOYSA-N 432.542 3.829 0 40 IHAB Cc1nc(Cn2cnc(-c3cc(C(=O)NCCc4ccccn4)c4ccccn34)c2)cs1 96154926 QSEAVYLIWGPTFN-UHFFFAOYSA-N 442.548 3.984 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)c2ccc(F)cc2)cc1 100402411 WVXDJDMIWVEISM-YVHKJVDXSA-N 446.544 3.725 0 40 IHAB CC[C@H](C(=O)Nc1cccc(Br)c1)N(c1ccc(OC)cc1)S(C)(=O)=O 220637406 BWVAEHSABOJLFU-QGZVFWFLSA-N 441.347 3.641 0 40 IHAB CC[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O 220648762 NENQMESSCKHHSW-KRWDZBQOSA-N 430.448 3.897 0 40 IHAB C[C@@H](C(=O)NCCc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1 222928559 LLNSHAGBBYNNJZ-FQEVSTJZSA-N 434.511 3.981 0 40 IHAB COc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN(C)C)c1 223237523 FLLGAMXOQKULOM-PKTZIBPZSA-N 435.597 3.805 0 40 IHAB CN(C)S(=O)(=O)N(Cc1ccc(C(=O)NCC2CCCCC2)cc1)c1ccccc1F 224195664 FWUVZDHOHLYNQD-UHFFFAOYSA-N 447.576 3.949 0 40 IHAB COc1ccc([C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1 225129429 UJHWOHSZCSGWJZ-VGSWGCGISA-N 448.585 3.762 0 40 IHAB O=C(CCSc1ccccc1)N1CCC(Cc2n[nH]c(=O)n2-c2cccs2)CC1 225546018 LVMGMJGSDKCLQP-UHFFFAOYSA-N 428.583 3.586 0 40 IHAB CCC[C@]1(C(=O)OCC)N[C@H](c2ccccc2C)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 245230259 OIKYCLFXMWKDDE-QDMVCWPOSA-N 438.499 3.686 0 40 IHAB COc1cccc(-c2cncc([C@@H]3CN(C(=O)c4nccc5ccccc45)CCO3)n2)c1 257202415 ALRRFGAREYBJFJ-QHCPKHFHSA-N 426.476 3.914 0 40 IHAB CNc1cc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)Cc2cccnc2)nc(C2CC2)n1 257218475 DDGOSCBTRQCNHX-OAQYLSRUSA-N 426.524 3.915 0 40 IHAB O=C(C(c1ccccc1)c1ccccc1)N1CCOC[C@H](Cc2ccc3nccn3n2)C1 257276437 NTTQJIOIXIBHHU-HXUWFJFHSA-N 426.520 3.579 0 40 IHAB CCc1nccn1-c1cccc([C@H]2CCCN2C(=O)CCNc2ncnc3ccccc23)n1 257283255 OXLZYWIFAPHEEC-OAQYLSRUSA-N 441.539 3.939 0 40 IHAB CC1(C)Oc2ccccc2[C@H]2O[C@H]3CCN(C(=O)c4cccc(OCC(=O)O)c4)[C@@H]3C[C@@H]21 257298573 RMIGQCXWBRZYQE-JROBLHLSSA-N 437.492 3.682 0 40 IHAB C[C@]1(O)CN(CC(=O)Nc2nc3ccc(Cl)cc3s2)CC[C@@H]1Oc1ccccc1 257303441 SHGMSPQGVCAJIM-RXVVDRJESA-N 431.945 3.793 0 40 IHAB O=C(O)CCN(CCc1ccccc1)C(=O)[C@H]1CC[C@H](O)[C@@H](Nc2ccc(F)cc2)CC1 257327032 WZOPEXPVLFETSP-OIBXWCBGSA-N 442.531 3.703 0 40 IHAB CSc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)cc1 260767412 NWPXAQWBLSGIND-IBGZPJMESA-N 448.610 3.756 0 40 IHAB O=C(Nc1nnc(S(=O)(=O)N[C@H]2C[C@H]3CC[C@H]2C3)s1)c1ccc(Cl)cc1Cl 260836895 BBUCOQRXMRPFMX-RVBZMBCESA-N 447.369 3.564 0 40 IHAB COc1ccccc1CNS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(C)cc2)c1 408556498 DDZQBTLRXHFJFB-UHFFFAOYSA-N 440.521 3.743 0 40 IHAB COC(=O)c1cccc(NC(=O)CSc2nnc(-c3cc(Cl)ccc3OC)o2)c1 408639187 WBTMMWWHCXSLCK-UHFFFAOYSA-N 433.873 3.916 0 40 IHAB COc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(C)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 409057979 QSFQBPFREVVWPL-LMOLPZMTSA-O 448.930 3.673 0 40 IHAB O=C(CNS(=O)(=O)c1ccc(Cl)cc1)Nc1cc(C(F)(F)F)ccc1Cl 409149558 JTQHKMOYQUYKRS-UHFFFAOYSA-N 427.231 3.929 0 40 IHAB COC(=O)c1ccc(NC(=O)CCc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1 409197300 AXJAZUDERDGAIA-UHFFFAOYSA-N 444.553 3.656 0 40 IHAB COc1cc(C)c(/C=C2\SC(=O)N(CC(=O)NCc3ccc(C)cc3)C2=O)cc1OC 409212643 RQXPRUFDKFZZFF-JAIQZWGSSA-N 440.521 3.673 0 40 IHAB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)ccc1OC(C)=O 409354256 BCONDJUNNFIUCV-ODLFYWEKSA-N 440.477 3.604 0 40 IHAB CCC[C@H](C)NC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1 409387619 JEWRHSGXVIWOFJ-HNNXBMFYSA-N 426.941 3.975 0 40 IHAB O=C(NCCc1nc2ccccc2[nH]1)c1sccc1S(=O)(=O)NC1CCCCCC1 511220674 FALXTVGFDYVFGY-UHFFFAOYSA-N 446.598 3.598 0 40 IHAB CN(C)c1nc2cc(-c3noc(C4CCN(C(=O)COc5ccccc5)CC4)n3)ccc2o1 546529481 IMBOIBOFRSZNSE-UHFFFAOYSA-N 447.495 3.729 0 40 IHAB O=C(NC[C@@H]1CC[C@H]2CN(C(=O)c3cccnc3)c3ccccc3CN12)c1cccc(F)c1 585110132 MYYAQBIWSDULEG-GOTSBHOMSA-N 444.510 3.644 0 40 IHAB CC(C)c1ccc(CN2CCC3(CCCCOCCCNC(=O)[C@H](C)NC3=O)CC2)cc1 643565606 KBOABDGKPJDDTI-NRFANRHFSA-N 443.632 3.604 0 40 IHAB O=C(Nc1ccc(Br)cc1)N1CCn2c(Cc3cccc(F)c3F)nnc2C1 1667695147 MVNIXKVQJWEHQW-UHFFFAOYSA-N 448.271 3.957 0 40 IHAB COC(=O)c1cc(NC(=O)c2cc(Br)ccc2Br)ccc1O 683200 HLQNWPHMAUVVPQ-UHFFFAOYSA-N 429.064 3.956 0 40 IHAB Fc1ccc(-c2nsc3c(N4CCN(Cc5ccc6c(c5)OCO6)CC4)ncnc23)cc1 1379883 NWQICMWEOQDCHD-UHFFFAOYSA-N 449.511 3.943 0 40 IHAB COc1ccc(N(CC(=O)NCc2ccccc2)S(=O)(=O)/C=C/c2ccccc2)cc1 2634663 XFIUHNGZTSSYHQ-WUKNDPDISA-N 436.533 3.819 0 40 IHAB COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3nnc(C4CC4)s3)c2)cc1 2653301 OBDHVFRIYDLBAP-UHFFFAOYSA-N 444.538 3.502 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)cc1 3440887 MKBZUYHLMKVKQO-UHFFFAOYSA-N 437.370 3.825 0 40 IHAB COc1ccccc1N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccco2)c1 3444952 OOYGBTGZDCPTKO-UHFFFAOYSA-N 434.901 3.697 0 40 IHAB COc1ccc(-c2nc(NC(=O)CN(C)S(=O)(=O)c3ccc(F)cc3)sc2C)cc1 3554287 QKQYWMQPWRUKIG-UHFFFAOYSA-N 449.529 3.525 0 40 IHAB Cc1ccc(CSc2ncc(Cl)c(C(=O)Nc3ccc(S(N)(=O)=O)cc3)n2)cc1 8916707 YRLWPOMTSOGIRB-UHFFFAOYSA-N 448.957 3.630 0 40 IHAB Cc1ccc([C@]2(c3ccccc3)NC(=O)N(CC(=O)NCc3ccc(F)cc3)C2=O)cc1C 9124882 BBOHWLXEKJSLPY-SANMLTNESA-N 445.494 3.554 0 40 IHAB Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(CCO)[C@@H]3c1cccc(Br)c1 9200107 JKGXVUMCKCQUCC-GOSISDBHSA-N 428.282 3.710 0 40 IHAB O=C(CNC(c1ccccc1)c1ccccc1)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 9548740 AZYYLCPCCHWGES-HSZRJFAPSA-N 440.609 3.714 0 40 IHAB COc1ccc(C(=O)Nc2ccc(N(C)C)cc2)cc1S(=O)(=O)N1CCCC[C@@H]1C 9637977 CUCNPOJWUBVZGY-INIZCTEOSA-N 431.558 3.577 0 40 IHAB COC(=O)c1cccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1 10295665 NFLAEYQTROKESY-UHFFFAOYSA-N 438.505 3.616 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCCCC2)Cc2ccccc2)cc1C 10301672 VVCYRDJQJYSKOU-UHFFFAOYSA-N 430.570 3.597 0 40 IHAB O=C(Nc1nc(-c2ccccc2)cs1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 10752655 UVZJLIPXVAZXON-OAHLLOKOSA-N 433.580 3.911 0 40 IHAB Cc1nc(-c2ccccc2)ccc1C(=O)OCC(=O)Nc1ccccc1N1CCCC1=O 11644950 KTXQPDDXISZSOX-UHFFFAOYSA-N 429.476 3.979 0 40 IHAB Cc1ccc(-c2cc(C(=O)N(Cc3ccc(F)cc3)[C@H]3CCS(=O)(=O)C3)no2)cc1 11917519 ZWTLBKHYZGVUPO-IBGZPJMESA-N 428.485 3.619 0 40 IHAB CC(C)Cc1ccc([C@@H](C)C(=O)N2CCC3(CC2)Nc2ccccc2S(=O)(=O)N3)cc1 12142330 YDRSVTHOJYNMPO-GOSISDBHSA-N 441.597 3.711 0 40 IHAB COCCn1c(SCC(=O)N2CCC[C@H](C)C2)nnc1-c1cc2ccccc2cc1O 12474704 NJLRMPYKWILZCB-INIZCTEOSA-N 440.569 3.801 0 40 IHAB CCOc1cc(C(=O)Nc2ccc3c(c2)OCCO3)ccc1OCC(=O)N1CCCCC1 12677510 NKGGRAWCPVJQNP-UHFFFAOYSA-N 440.496 3.500 0 40 IHAB Cc1ccc(C)c(SCc2nc(=O)c3c(C)c(C(=O)N4CCOCC4)sc3[nH]2)c1 12782491 XBOAENKLGPUBRS-UHFFFAOYSA-N 429.567 3.675 0 40 IHAB CCC(C)(C)NC(=O)[C@@H](c1ccccn1)N(C(=O)c1csnn1)c1ccc(F)cc1 12867789 QJGVSJJKQXUZRV-GOSISDBHSA-N 427.505 3.765 0 40 IHAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2)CC1 12994944 VWJKQXIZSFVRMJ-SFHVURJKSA-N 429.948 3.507 0 40 IHAB O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1cc(-c2cccs2)nn1-c1ccccc1 13014013 NZBRQMQEKPYPOB-UHFFFAOYSA-N 435.509 3.500 0 40 IHAB COc1ccc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)cc1S(N)(=O)=O 13149981 DIGYSVXDZZOOOQ-HXUWFJFHSA-N 428.535 3.815 0 40 IHAB CCOc1ccc(C(=O)Nc2cccc(OCc3cc(=O)n4nc(C)sc4n3)c2)cc1 13367897 ZNZNNGCCFHTOHJ-UHFFFAOYSA-N 436.493 3.689 0 40 IHAB COc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=S)NC[C@H]3CCCO3)cc2c1 13554967 JRZGSODQOHESPX-GOSISDBHSA-N 443.594 3.654 0 40 IHAB Cc1c(Cl)cccc1NC(=O)CSC1=N[C@@H](c2c[nH]c3ccccc23)NC(N)=N1 13579106 WNGUNUSJLRSIEZ-SFHVURJKSA-N 426.933 3.774 0 40 IHAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCCN3CCCCC3)ccc2C)c1 13670651 QLEJMJWVNVQPBP-UHFFFAOYSA-N 429.586 3.710 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc(Cl)c2c(c1)OCCCO2 14228563 UFZXJKXEXQEPJZ-UHFFFAOYSA-N 436.917 3.538 0 40 IHAB CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 14804888 BNJOBRSHWQHHPG-INIZCTEOSA-N 432.876 3.883 0 40 IHAB O=C(Nc1ccccc1Br)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 15576937 KCAPZIYIFMMWOX-ZDUSSCGKSA-N 441.322 3.628 0 40 IHAB CCC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2ccc(Cl)cc2)CC1 17097293 JWOFQPNSDWRBGI-UHFFFAOYSA-N 430.961 3.525 0 40 IHAB COc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(NC(=O)c2ccco2)cc1 17884085 BJIWAPMBAPLWSF-UHFFFAOYSA-N 428.828 3.989 0 40 IHAB C[C@H](C(=O)N1CCC[C@@H]([C@@H]2C[C@H](C(F)F)n3nc(C(C)(C)C)cc3N2)C1)N1CCCC1 19078260 MSXGFFFIKZDDKB-ZJPYXAASSA-N 437.579 3.894 0 40 IHAB Cc1noc2nc([C@H]3CCCN(C(=O)[C@H]4CC(=O)N(C(C)C)C4)C3)cc(C(F)(F)F)c12 19563748 LKFGIYBIPFLGJT-KBPBESRZSA-N 438.450 3.513 0 40 IHAB CNC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)CCc2ccncc2)C1 19591453 GDBQVBFRYGWKET-MHZLTWQESA-N 427.548 3.889 0 40 IHAB COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CCCN2C(=O)c2cnc(C)nc2C)c1 19690080 JWEVTNAFNCCETL-NRFANRHFSA-N 432.528 3.602 0 40 IHAB Cc1nnsc1C(=O)N1CCC(c2ccc(C(=O)Nc3ccc(F)cc3)cn2)CC1 19705776 FKSFOHGRMJMARJ-UHFFFAOYSA-N 425.489 3.653 0 40 IHAB Cc1onc(C(C)C)c1C(=O)N1CCO[C@@H](c2cc(C(=O)N(C)C)c3ccccc3n2)C1 19762867 LMWZAOGHGUIUAN-HXUWFJFHSA-N 436.512 3.570 0 40 IHAB CCOC(=O)[C@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@@H]1c1ccncc1 19820398 FXRUELOIRHGMOE-FGZHOGPDSA-N 426.476 3.747 0 40 IHAB C[C@H](NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C)c1ccc(C(C)(C)C)cc1 20244387 GDLRSTXBDNRZDE-INIZCTEOSA-N 435.565 3.613 0 40 IHAB Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCCN(CC(=O)NC(C)(C)C)CC2)cc1 22801156 VQYNXKNAWZDBRV-XMMPIXPASA-N 436.600 3.597 0 40 IHAB CCn1ncc2c(C(=O)NCC(=O)Nc3cc(C)ccc3OC)cc(-c3cccs3)nc21 23003031 LYYIJLURGZNICU-UHFFFAOYSA-N 449.536 3.865 0 40 IHAB CCN(CCCNC(=O)[C@H](C)NC(=O)c1ccc(Br)cc1)c1ccccc1 23074425 DFXTUAQIECZUIQ-INIZCTEOSA-N 432.362 3.600 0 40 IHAB CC(C)(C)c1ccc(OCCOC[C@H](O)CN2CCN(c3ccc(F)cc3)CC2)cc1 23224722 HAPWMXZGOYFQOT-HSZRJFAPSA-N 430.564 3.702 0 40 IHAB O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCN(Cc2cccs2)CC1 23736216 DXTDIRLFUWAHMG-UHFFFAOYSA-N 429.549 3.954 0 40 IHAB O=C(CSc1ncnc2sccc12)OCc1cc(=O)n2c(n1)sc1ccccc12 24757237 CKXRZTLVHHDSRC-UHFFFAOYSA-N 440.531 3.749 0 40 IHAB Cc1cc(C)n(Cc2cccc(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)c2)n1 27970875 ZMNBBPPJJXAOFS-UHFFFAOYSA-N 440.550 3.814 0 40 IHAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 29893659 ORPRMVIRXLQNNP-UHFFFAOYSA-N 443.569 3.728 0 40 IHAB COc1cc(C)c(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1OC 34766017 NVCZZDYHRBONPU-ODLFYWEKSA-N 426.494 3.996 0 40 IHAB Cc1ccccc1Oc1nc2ccccc2n2c(=O)n(CC(=O)Nc3ccc(F)cc3)nc12 35371853 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CCCc1ccc(OCCNC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 223898858 BGKPMZUXSCVDIM-MRXNPFEDSA-N 438.977 3.642 0 40 IHAB CCCc1ccc(OCCNC(=O)CCCN(c2ccc(C)cc2C)S(C)(=O)=O)cc1 224647707 PMXDZJBSTIGJPD-UHFFFAOYSA-N 446.613 3.997 0 40 IHAB COC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(F)cc1 224915293 LQICPRAORPNKJU-UHFFFAOYSA-N 425.787 3.866 0 40 IHAB O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(CS(=O)(=O)N2CCCC2)cc1 225349515 LSNFQSJPPOTGSA-UHFFFAOYSA-N 426.460 3.561 0 40 IHAB Cc1ccc(CNC(=S)Nc2nc(Sc3ncccn3)cc(N3CCCC3)n2)cc1 225943034 BCJXSRHHWNKCDW-UHFFFAOYSA-N 437.598 3.813 0 40 IHAB COC[C@]1(CN)[C@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242464038 DTPFLKOMZAQSHM-KZNAEPCWSA-N 444.778 3.634 0 40 IHAB Cc1nc(C)c(C(=O)N2CC[C@@H](c3nc(C)c4c(n3)N(Cc3ccccc3)CCC4)C2)o1 257250447 JMOMKUICKFRISX-HXUWFJFHSA-N 431.540 3.972 0 40 IHAB CC(C)c1ncc(C(=O)N2CCCC[C@@]2(C)C(=O)NCc2ccc3c(c2)CCCO3)cn1 257254207 KCERFSIWEBITMH-VWLOTQADSA-N 436.556 3.626 0 40 IHAB COc1ccc(NC(=O)CN2CCC(c3cncc(Nc4ncccc4C)n3)CC2)cc1 257290024 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441.553 3.933 0 40 IHAB O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccccc1C(=O)c1ccccc1 9479241 RPRJVGCBDBJUIG-UHFFFAOYSA-N 434.517 3.954 0 40 IHAB COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCc3ccccc3F)c2)cc1 9545247 QGEQISMEKOBTGP-UHFFFAOYSA-N 428.485 3.589 0 40 IHAB CCCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(OC(F)F)cc2)C1=O 9561907 LSRIWGHWJOMXTI-QFIPXVFZSA-N 431.439 3.864 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3ccc4[nH]c(C)c(C)c4c3)CC2)cc1 9865244 AXEISAYFNCWVCV-UHFFFAOYSA-N 425.554 3.630 0 40 IHAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1)N1CCN(c2ncccn2)CC1 9950932 BOLPBFWMWLIESM-OUKQBFOZSA-N 436.519 3.691 0 40 IHAB CCOc1ccc([C@@H]2CCCN2C(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1 10217919 JBGONXHJWULGCR-ICSRJNTNSA-N 448.610 3.911 0 40 IHAB Cc1cc(C)c(NC(=O)CNC(=O)COC(=O)C2(c3ccc(Cl)cc3)CCC2)c(C)c1 11386542 QLHRXFOEHOXTAR-UHFFFAOYSA-N 442.943 3.985 0 40 IHAB COc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2ccc3oc(=O)ccc3c2)c1 12809227 UNQPTBDFLXRGOZ-UHFFFAOYSA-N 436.441 3.800 0 40 IHAB O=C(NC1CCCCC1)[C@@H](c1cccnc1)N(C(=O)c1csnn1)c1ccccc1F 12870093 ZFOXLYQWVWWNIW-HXUWFJFHSA-N 439.516 3.909 0 40 IHAB O=C(Nc1ccc(CNC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)cc1)c1ccco1 12999710 PCGBABYLVCHTPU-KRWDZBQOSA-N 437.521 3.762 0 40 IHAB C[C@H]1CN(C(=O)CCc2nc3cc(Cl)ccc3n(Cc3ccccc3)c2=O)C[C@@H](C)O1 13016861 KGIMSBGGEBVAFJ-CALCHBBNSA-N 439.943 3.667 0 40 IHAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2ccc(NC(=O)CC(C)C)cc2)C1=O 13062958 CECXQWJHKDZSMU-XMMPIXPASA-N 439.487 3.850 0 40 IHAB CCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cc(F)ccc1OC 13581197 USHRKQMSJMIMOG-UHFFFAOYSA-N 435.304 3.790 0 40 IHAB O=C(Cc1csc(NS(=O)(=O)c2ccc(F)cc2)n1)Nc1ccc2[nH]ccc2c1 13691157 VDDHEINVQKBZCR-UHFFFAOYSA-N 430.486 3.746 0 40 IHAB Cc1cc(O[C@@H](C)C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc(C)c1Cl 14399992 UFLGEELBFZWKLB-KRWDZBQOSA-N 430.932 3.797 0 40 IHAB COc1cc(CNC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)ccc1OC(F)F 15030606 FCELSSWNNCRTRH-UHFFFAOYSA-N 436.430 3.604 0 40 IHAB CCCCN1C(=O)CC[C@H](C(=O)OCc2ccc(C(N)=O)cc2)[C@H]1c1ccc(OC)cc1 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3.667 0 40 IHAB COc1ccc(S(=O)(=O)N2CC[C@H](c3cc(COc4cccc(F)c4)[nH]n3)C2)cc1C 19704344 VCJYSMKYCPRXFM-INIZCTEOSA-N 445.516 3.623 0 40 IHAB Cc1nc([C@H]2CCCCN2C(=O)Cc2c(C)[nH]c3c(C)cccc23)nc2c1CC(=O)N2C 19739592 FGSLULWWBXQCFK-HXUWFJFHSA-N 431.540 3.698 0 40 IHAB CCn1nc(C)c(CN2CCC[C@@H](c3nc(C)c4c(n3)N(CC3CC3)C(=O)CC4)C2)c1C 19741492 BFNUIRFJBFCKLV-HXUWFJFHSA-N 436.604 3.687 0 40 IHAB Cc1ccc(C)c([C@@H]2CCCN2C(=O)Cn2cccc(C(=O)NCc3ccccc3)c2=O)c1 19750530 CRJZKFAASDPNTF-DEOSSOPVSA-N 443.547 3.759 0 40 IHAB O=C(c1cc([C@@H]2CN(CCCc3ccccc3)CCO2)nc2ccccc12)N1CCOCC1 19759183 HEYFTCAHANTEDY-SANMLTNESA-N 445.563 3.713 0 40 IHAB COc1ccc(NC(=O)c2cnc([C@@H]3CCN(C(=O)Cc4ccccc4)C3)nc2C)cc1 19766067 ZLCHRKWNAMFMRA-LJQANCHMSA-N 430.508 3.605 0 40 IHAB Cn1c(=O)n(C)c2cc(NC(=O)c3ccc(CN4CCc5ccccc5C4)cc3)ccc21 19928892 DANCDVDXOGAIEP-UHFFFAOYSA-N 426.520 3.688 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2ccc(SC)cc2)cc1 20021223 YDGSDELTNQURLI-MRXNPFEDSA-N 436.599 3.695 0 40 IHAB CCOc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)O)cc2C)cc1Br 20152970 ZOFHHBULNXYRDB-UHFFFAOYSA-N 437.315 3.981 0 40 IHAB COc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)c1ccc(OC)c(OC)c1 20153458 BRORGOGDNUEZSS-UHFFFAOYSA-N 442.493 3.592 0 40 IHAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 20460243 NVLNOCKZLIMUHV-LJQANCHMSA-N 439.002 3.744 0 40 IHAB COc1cc(OC)c(OC)cc1/C=C/C(=O)OCC(=O)Nc1ccc(OC(F)F)cc1 21374721 FHQOLEFMKIKCRB-RUDMXATFSA-N 437.395 3.509 0 40 IHAB CCOc1cccc(CNCCc2ccc(S(N)(=O)=O)cc2)c1OCc1ccccc1 22076880 OKYKJBLYPJKHSB-UHFFFAOYSA-N 440.565 3.644 0 40 IHAB CCCS(=O)(=O)N1CCCc2ccc(NC(=O)NCCc3ccc(OC)cc3)cc21 22504069 AOUBSEHZAROWOQ-UHFFFAOYSA-N 431.558 3.552 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)N[C@@H](C)c1cc(C)c(C)cc1C 22539492 ILKXSSPOTIZXQB-JKSUJKDBSA-N 438.977 3.818 0 40 IHAB CN1CCN([C@@H](CNS(=O)(=O)c2ccc(-c3ccccc3)cc2)c2ccsc2)CC1 22767214 GEFKBJSPHUDPGM-QHCPKHFHSA-N 441.622 3.682 0 40 IHAB O=C(Nc1ccc(-n2ccnc2)nc1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 25012400 PPXJPJKYJRKXRJ-UHFFFAOYSA-N 430.917 3.646 0 40 IHAB O=C(Nc1cccc(Cn2ccnc2)c1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 25171174 GSJAKESBXKCQCH-UHFFFAOYSA-N 426.432 3.573 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(NC(N)=O)cc3)c2)cc1F 25885005 IIDFCXFYMSXAFW-UHFFFAOYSA-N 442.472 3.678 0 40 IHAB COc1ccc(OC)c(CN2CCN(C(=O)c3cc(F)ccc3Br)CC2)c1 29986185 FEMPHQLWUKZBBA-UHFFFAOYSA-N 437.309 3.563 0 40 IHAB Cc1nc(CN2CCN(C(=O)CCc3c(C)nc4c5ccccc5nn4c3C)CC2)cs1 32332989 HFJSDODVTRDJLD-UHFFFAOYSA-N 448.596 3.541 0 40 IHAB CC(=O)c1c(C)nc(-c2ccco2)nc1SCC(=O)Nc1ccc2c(c1)OCCO2 32902148 KREYGAJNQWMLDB-UHFFFAOYSA-N 425.466 3.750 0 40 IHAB C[C@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(NC(=O)[C@H]2COc3ccccc3C2)cc1 34872007 YQXMYIKKCPMNQP-ZIFCJYIRSA-N 428.554 3.828 0 40 IHAB CCOC(=O)Cc1csc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@H]2c2ccccc2)n1 36360684 KAPSCCONFHDGEW-RTWAWAEBSA-N 449.532 3.798 0 40 IHAB O=C(Nc1nccs1)[C@@H]1CCCN(Cn2nc(-c3cccnc3)n(C3CC3)c2=S)C1 40149250 GTUSXVTVQSINFT-OAHLLOKOSA-N 441.586 3.576 0 40 IHAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCCCc3ccc(Cl)cc3)CC2)cc1 44842473 XAVFTEZNBBIIIJ-UHFFFAOYSA-N 449.016 3.939 0 40 IHAB COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(NC(C)=O)cc2)C12CCCC2 44890524 JGZOHVJIVOVJJT-QFIPXVFZSA-N 435.524 3.782 0 40 IHAB Cc1ccc(NC(=O)Cn2cc(C(=O)Nc3ccccc3)c(=O)c3ccc(C)nc32)cc1 49001984 YOWHCAQWCUDHHA-UHFFFAOYSA-N 426.476 3.904 0 40 IHAB COc1cc(N2C(=O)C[C@@H](c3ccccc3)c3sc(=O)n(C)c32)cc(OC)c1OC 49544918 HEWSYOQOAZMDMV-HNNXBMFYSA-N 426.494 3.673 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)Cc1ccc(C(=O)NCc2ccccc2F)o1 51317338 SWHHMWADVUZFPV-UHFFFAOYSA-N 437.876 3.985 0 40 IHAB COc1ccc(Cl)cc1-n1nnc(C(=O)NCc2cccc(Br)c2)c1C 51317581 HXCMBQBMMCDWPT-UHFFFAOYSA-N 435.709 3.930 0 40 IHAB Cc1c(Cl)cccc1Nc1nc(N)nc(CN2CCN(c3ccccc3F)CC2)n1 54147076 QGDXSJBLMSERJF-UHFFFAOYSA-N 427.915 3.621 0 40 IHAB O=C(NCCOc1ccc(F)cc1)[C@@H]1CCCN(c2ccc(-c3cccs3)nn2)C1 56903820 FCJJLNGKSUFUQD-MRXNPFEDSA-N 426.517 3.756 0 40 IHAB CCN(C(=O)Cn1c(=O)n(-c2ccccc2OC)c(=O)c2sccc21)c1cccc(C)c1 57490686 MMJXLKFGKTXEBQ-UHFFFAOYSA-N 449.532 3.584 0 40 IHAB COC(=O)Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)cc1 58134159 LIDGOOJWPPRQLH-GOSISDBHSA-N 435.307 3.952 0 40 IHAB CCc1cccc(CC)c1NC(=O)CN1C(=O)N[C@](c2ccccc2)(C(F)(F)F)C1=O 58249321 OTGJXOHDLRJNPA-NRFANRHFSA-N 433.430 3.760 0 40 IHAB CCc1noc([C@H](C)N2CCN(S(=O)(=O)c3c(C)cc(C(C)(C)C)cc3C)CC2)n1 58647012 UBSFXNVIEDAWOS-KRWDZBQOSA-N 434.606 3.614 0 40 IHAB CCS(=O)(=O)c1ccccc1C(=O)NCc1ccc(CN2C[C@@H](C)C[C@H](C)C2)cc1 59057581 AJDUPXGDEZQTMY-OALUTQOASA-N 428.598 3.888 0 40 IHAB O=C(NCc1ccc(OCc2ccccc2)cc1)C1CN(C(=O)c2ccc(F)c(F)c2)C1 70655762 GCHNSZZZGADNDB-UHFFFAOYSA-N 436.458 3.932 0 40 IHAB CCc1nnc(Nc2cccc([C@H]3CCCN3C(=O)CN3CCc4ccccc4C3)n2)s1 72375332 NTEPODNPXJJDCW-HXUWFJFHSA-N 448.596 3.961 0 40 IHAB COc1ccc([C@@](C)(O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)c3ncccc23)cc1 89626934 YOJVUTYLYMRCJT-JTHBVZDNSA-N 426.538 3.613 0 40 IHAB COc1cccc(NC(=O)Cn2nc(-c3ccc(I)cc3)nc2C)c1 89718051 XUEYAQQAMCSPHQ-UHFFFAOYSA-N 448.264 3.505 0 40 IHAB COc1ccc(-n2cc(C(=O)Nc3ccc(OC)nc3)c3ccccc3c2=O)c(OC)c1 95474655 ACSPSDGMUGDTHX-UHFFFAOYSA-N 431.448 3.664 0 40 IHAB Cc1cc(CNC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nc(N2CCOCC2)n1 96121302 HBIXULFKNQBUGM-UHFFFAOYSA-N 429.830 3.616 0 40 IHAB Cc1nn(-c2nc3ccccc3[nH]2)c(O)c1[C@@H]1CC(=O)N(c2cccc(Cl)c2C)C1=O 100069179 COIHNEYDOVLHLC-ZDUSSCGKSA-N 435.871 3.772 0 40 IHAB COc1ccc2c(c1)O[C@@]1(C)C[C@H]2[C@H](S(=O)(=O)c2ccc(C(C)(C)C)cc2)C(=O)N1 100894885 PGXHVZQBJKTZML-RFWXGWTQSA-N 429.538 3.547 0 40 IHAB COc1ccccc1CNc1cnn(C23C[C@H]4CC(C[C@@H](C4)C2)[C@@H]3C(=O)O)c(=O)c1Cl 101278815 WJOCXUOKWOQEME-XRBMKGSESA-N 443.931 3.753 0 40 IHAB CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccccc2)ccc1O 102752939 QBRWSSZSUDHTHM-DNVJHFABSA-N 448.450 3.981 0 40 IHAB NC12C3(Cl)[C@@]4(Cl)C5(Cl)C(Cl)(Cl)C(Cl)([C@@]14Cl)[C@]2(Cl)[C@]53Cl 104006736 KCRHNURXNCHJNT-QBALCECUSA-N 443.199 3.769 0 40 IHAB C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(C(=O)[C@H]2Cc3cc(Cl)ccc3O2)CC1 106272132 QBERBYZWXQXSDY-MGPUTAFESA-N 438.915 3.599 0 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O=C(N1CCc2nc3ccc(F)cn3c(=O)c2C1)C1(c2ccc(Cl)cc2)CCCC1 225782354 UQTKKCKSJNBYOP-UHFFFAOYSA-N 425.891 3.884 0 40 IHAB Cc1ccc(NC(=O)C[C@@H]2C(=O)N[C@@H]3CCCC[C@H]3N2C(=O)c2ccco2)cc1Cl 251139108 BGYZYPSRCPPAAE-KZNAEPCWSA-N 429.904 3.522 0 40 IHAB Cc1cc(-c2cn(C)nc2[C@H]2CC[C@H](CNC(=O)c3cc4c(nc3O)CCC4)CC2)on1 257268926 MNVINIGCSMYSEQ-WKILWMFISA-N 435.528 3.677 0 40 IHAB CNC(=O)c1cc([C@H]2CC[C@H](CNC(=O)CCCn3ccnc3C)CC2)nc2ccccc12 257336522 YOVHPJQDCQFVPK-MXVIHJGJSA-N 447.583 3.970 0 40 IHAB CC(=O)O[C@@H]1C[C@]2(O)[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@@H]1c1ccc(=O)oc1 257570265 VOZHMAYHYHEWBW-AUESMYAUSA-N 444.568 3.784 0 40 IHAB CCOc1ccc(N(CCCC(=O)N[C@H](C)COc2ccccc2C)S(C)(=O)=O)cc1 260511513 QLUDFZTZEFSJLQ-LJQANCHMSA-N 448.585 3.524 0 40 IHAB Fc1cccc(CN2CCN(CC3CC3)[C@@H](c3cn4c(N5CCOCC5)cccc4n3)C2)c1 306132234 LCJBDDJSNSBFQB-XMMPIXPASA-N 449.574 3.579 0 40 IHAB O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)N1CCN(C(=O)c2ccccc2)CC1 408576903 YSZOHQGVHYJMDT-WYMLVPIESA-N 445.544 3.819 0 40 IHAB C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408703359 FKYZICGOWGYNGL-LLVKDONJSA-N 445.324 3.558 0 40 IHAB COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3)C2=O)ccc1Cl 409155931 SBHACWQMLWJGOK-CXUHLZMHSA-N 430.869 3.802 0 40 IHAB Cc1ccc(N([C@H](C)C(=O)NCCSc2ccc(Cl)cc2)S(C)(=O)=O)cc1 409409936 KBVLHDSCBQQVST-OAHLLOKOSA-N 426.991 3.711 0 40 IHAB COc1cc(Br)cc(S(=O)(=O)N(C)[C@@H]2CCCc3nc(C)sc32)c1 546879166 LCAMMZNARYJCKD-OAHLLOKOSA-N 431.377 3.921 0 40 IHAB CC(C)CCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)C1(F)CCOCC1)C2 585106618 CXFCYVKVGHANAC-XMMPIXPASA-N 426.536 3.685 0 40 IHAB CCN1CCN(Cc2c(C)nn(Cc3ccccc3)c2C)CCOc2ccccc2CC1=O 643568916 QRXVZFSJGBGEJW-UHFFFAOYSA-N 446.595 3.834 0 40 IHAB COCC(=O)N1CCCCCCCNCc2cc(C(=O)NCCc3ccccc3)ccc21 643584755 RMNYRMDYVZECLY-UHFFFAOYSA-N 437.584 3.692 0 40 IHAB CCn1cc(C(=O)N2CCCC3=C[C@H]4C[C@@H](CN5CCCC[C@@H]45)[C@@H]32)c(=O)c2ccc(C)nc21 888088090 DOQURURDRCHPEJ-NVXDSCFRSA-N 446.595 3.760 0 40 IHAB biogenic Cc1ncnc(O)c1CCC(=O)O[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)C(C)C 1115845823 QTHVTBWSTZNKQJ-QGZVFWFLSA-N 426.300 3.937 0 40 IHAB CC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(OCCN5CCCC5=O)cc4)OCC[C@@]31C2 1848356612 VPOQENVVVJZYGO-NMHPENHOSA-N 440.584 3.706 0 40 IHAB CC(=O)N1[C@@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2c1ncnc2[nH]cnc12 2037843428 CLYFMTNWHMAFDO-ZAZYSFHNSA-N 430.556 3.723 0 40 IHAB COC(=O)c1c(NC(=O)CSc2nc(C)cc(C(F)(F)F)n2)sc2c1CCC2 708700 UECZUAJHZBYSHK-UHFFFAOYSA-N 431.461 3.871 0 40 IHAB CCn1cc(CN(C)C(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccco2)N3)c(C)n1 919694 IOJSWBMPAAXLFC-RHSMWYFYSA-N 436.438 3.933 0 40 IHAB Cc1cc(C)c(S(=O)(=O)N(CC(=O)NCc2cccnc2)Cc2ccccc2)c(C)c1 1096353 VARQBQPYGQNCFY-UHFFFAOYSA-N 437.565 3.514 0 40 IHAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3Br)n2N)cc1 2233412 DHAZXZSUYTZQSM-UHFFFAOYSA-N 432.347 3.769 0 40 IHAB O=C(COC(=O)c1ccc(F)cc1Cl)Nc1ccc(I)cc1 3235450 BINAEOYNCZHQPQ-UHFFFAOYSA-N 433.604 3.879 0 40 IHAB COc1cc(C2=N/C(=C\c3cc(Br)ccc3O)C(=O)O2)cc(OC)c1OC 5328235 UGAHYGJQYLNTFR-QPEQYQDCSA-N 434.242 3.525 0 40 IHAB Cc1cc(C)c2nc(O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CCC(C)CC3)cc2c1 8674176 BPTGALQBEHFOTB-DENIHFKCSA-N 436.560 3.544 0 40 IHAB O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1ccc(-n2cnnn2)cc1 8753752 WOHHHLIMLMZHFQ-UHFFFAOYSA-N 430.415 3.981 0 40 IHAB CCOc1ccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)cc1 8919240 RTZWVZUZAGYFIY-MHYJACLRSA-N 432.520 3.666 0 40 IHAB CSCC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(C)Cc1cccc(F)c1 9120224 RLIYRAWAQRXEPR-GOSISDBHSA-N 444.981 3.538 0 40 IHAB COc1ccc(C(=O)N2N=C(c3ccc(NS(C)(=O)=O)cc3)C[C@@H]2c2ccco2)cc1 9260350 MJFLPRMTGXUIEP-HXUWFJFHSA-N 439.493 3.651 0 40 IHAB CC(C)Cn1c(SCC(=O)Nc2ccc(N3CCOCC3)cc2)nnc1-c1ccco1 9265249 MEUYIALLGNYLGI-UHFFFAOYSA-N 441.557 3.762 0 40 IHAB COC(=O)CSc1nnc2c3c4c(sc3nc(SC(C)C)n12)COC(C)(C)C4 9292155 MUVBRHZKFCZSDE-UHFFFAOYSA-N 438.600 3.956 0 40 IHAB O=C(COC(=O)c1ccccc1SCC(=O)N1CCCC1)Nc1ccc(Cl)cc1 9351395 DMHIXIGVMFTMAR-UHFFFAOYSA-N 432.929 3.850 0 40 IHAB CCOc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1 9374590 UXDQAJFPWHPTSW-JOCHJYFZSA-N 432.480 3.739 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)Cc2coc3cc(C)ccc23)c1 9492845 QUCIREFHSGWKKJ-UHFFFAOYSA-N 430.526 3.962 0 40 IHAB CCn1c(CC(=O)Nc2ccccc2F)nnc1SCC(=O)Nc1ccc(F)c(F)c1 9506560 SWAYNGLSNMOCAE-UHFFFAOYSA-N 449.458 3.627 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)c2cccnc2SC)c1 9509446 QNEAIBAXGJXXOC-UHFFFAOYSA-N 448.614 3.687 0 40 IHAB CC(=O)c1cccc(NC(=O)[C@@H](OC(=O)CNC(=O)c2cccc(F)c2)c2ccccc2)c1 9587132 MNAAMYZOAUIDSO-QHCPKHFHSA-N 448.450 3.681 0 40 IHAB O=C(Cc1ccc(Br)cc1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 9632058 VHXIUKISKNEAED-UHFFFAOYSA-N 437.359 3.805 0 40 IHAB Cc1ccccc1N(CC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)S(C)(=O)=O 9633692 ZUFGJRTXVOCCIR-GOSISDBHSA-N 429.567 3.734 0 40 IHAB CCn1nc(C(=O)Nc2ccc(I)cc2C)c2ccccc2c1=O 9704173 DFDOBVSJPDAWPT-UHFFFAOYSA-N 433.249 3.582 0 40 IHAB Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)c2ccc(-n3cccn3)cc2)c1C 9816625 VKVWXYXCOYZLPJ-QFIPXVFZSA-N 432.524 3.749 0 40 IHAB COc1ccc(CN(C(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)C2CC2)cc1 9888748 BGBCRNWZLKJRJO-UHFFFAOYSA-N 447.461 3.892 0 40 IHAB Cc1c(Cl)cccc1N(CC(=O)NCCSCc1ccccc1F)S(C)(=O)=O 10280992 OODXPXOEDZYRPY-UHFFFAOYSA-N 444.981 3.603 0 40 IHAB Cc1ccc2oc(C(=O)N3CCC([C@H]4Nc5ccccc5S(=O)(=O)N4)CC3)c(C)c2c1 12089445 POZFWFXBNCMDHW-QFIPXVFZSA-N 439.537 3.632 0 40 IHAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OCO4)n2-n2cccc2)c1 12342325 UZKZKZTWRSVVDY-UHFFFAOYSA-N 433.493 3.826 0 40 IHAB Cc1noc(C)c1-n1nc(-c2ccc(S(=O)(=O)Nc3ccc(F)cc3)s2)ccc1=O 12372271 IKFBCIMGMCYWAE-UHFFFAOYSA-N 446.485 3.506 0 40 IHAB Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1C(=O)N1CCN(c2ncccn2)CC1 12391440 KBGKFHBSVUKFFC-UHFFFAOYSA-N 449.458 3.770 0 40 IHAB COc1ccccc1N(C(=O)c1csnn1)[C@@H](C(=O)NC(C)(C)C)c1ccc(F)cc1 12637661 UMFQBHJIYDOZQB-LJQANCHMSA-N 442.516 3.989 0 40 IHAB CC(C)n1ncc2cc(NC(=O)c3ccc4c(c3)C(=O)N(Cc3ccco3)C4=O)cnc21 12769921 DIQSBEUPEDEZJA-UHFFFAOYSA-N 429.436 3.654 0 40 IHAB COc1ccc(CCNC(=O)c2ccccc2NCc2nc3ccccc3c(=O)[nH]2)cc1 12783130 XWSGHBSKPSKTGB-UHFFFAOYSA-N 428.492 3.516 0 40 IHAB Cc1ccccc1C(=O)N1CCC(C(=O)O[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)CC1 12803289 AUVCDSOMFSMKIE-MOPGFXCFSA-N 434.536 3.757 0 40 IHAB COc1ccc(C)cc1CN(C)C(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 12813089 DOYUMUHJWHPHJV-UHFFFAOYSA-N 425.554 3.703 0 40 IHAB COc1ccc2c(C)c(CCC(=O)Nc3cc(OC)c(OC)c(OC)c3)c(=O)oc2c1 12895299 ZJYQTHMBKOBNLW-UHFFFAOYSA-N 427.453 3.707 0 40 IHAB biogenic COC(=O)c1c(COC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)nc2ccccc2c1C 13016156 XJHMRTSAFUHTHZ-UHFFFAOYSA-N 449.431 3.683 0 40 IHAB CCOC(=O)C1CCN(C(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(C)cc3)c2)CC1 13683188 VXJMDUPLIXWPBU-UHFFFAOYSA-N 444.553 3.520 0 40 IHAB COc1cc(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)cc(OC)c1 14139643 DAHRYGGICOTKMP-IYBDPMFKSA-N 432.542 3.623 0 40 IHAB C[C@@H]1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)c2ccccc2S1 14184930 DUQBIAXHKUPLLR-PEBXRYMYSA-N 427.501 3.510 0 40 IHAB O=C(Cc1ccc(Cl)c(Cl)c1)NCc1ccc(S(=O)(=O)N2CCCC2)s1 14365084 TUHSHXSRGVIRDO-UHFFFAOYSA-N 433.382 3.698 0 40 IHAB COc1ccc(-c2nc(CN3C(=O)N[C@@](C)(c4ccc5c(c4)OCO5)C3=O)cs2)cc1 15513190 LTXMGISDUHQCGS-QFIPXVFZSA-N 437.477 3.515 0 40 IHAB Cc1ccc(C)c(C(=O)[C@H](C)OC(=O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)c1 15613965 LPVFWGDNQAMBAP-QEEIZYTISA-N 428.529 3.555 0 40 IHAB COc1ccc(NC(=O)c2ccc3c(c2)S(=O)(=O)N=C(C)N3CC(C)C)c(OC)c1 15867713 QTJIDFWELPAVOB-UHFFFAOYSA-N 431.514 3.539 0 40 IHAB COc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCO)ccc1OCCC(C)C 16806444 HQWBTYQQQLHGFC-JOCHJYFZSA-N 437.492 3.764 0 40 IHAB Cc1ccc(-n2ncc(C(=O)[C@H]3CCCN(C(=O)c4ccc(CN(C)C)cc4)C3)c2N)cc1 19213052 FUPWXBXQSZWGJO-NRFANRHFSA-N 445.567 3.560 0 40 IHAB COc1ccccc1CC(=O)NC1CCN(c2ncc(-c3ccncc3)c(C(C)C)n2)CC1 19451633 CQNYPAVGMXXNJA-UHFFFAOYSA-N 445.567 3.998 0 40 IHAB COCCc1ncc(CN(Cc2ccc(OC)cc2)C2CC(C)(C)NC(C)(C)C2)cn1 19461003 CWBFUDARYCEMTD-UHFFFAOYSA-N 426.605 3.986 0 40 IHAB CNC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)c2cnc(C)nc2C)C1 19552373 FLSZCUMBFBXPCK-AREMUKBSSA-N 428.536 3.581 0 40 IHAB COc1ccccc1C(=O)N1CCC([C@@H]2C[C@@H](C(=O)Nc3ccc(F)cc3)CN2C)CC1 19587595 QBFQERIOPRLFFW-GCJKJVERSA-N 439.531 3.646 0 40 IHAB CCN(C(=O)c1cnn(C)c1)[C@@H]1CCO[C@H](c2ccc(C(=O)Nc3ncccc3C)cc2)C1 19712692 QDUNYNOYUVTULY-YADHBBJMSA-N 447.539 3.758 0 40 IHAB Cc1ccc([C@@H]2CCCN2C(=O)c2ccc(=O)n(CC(=O)Nc3nccs3)c2)cc1C 19751167 GOKVXHCFIUJJCE-IBGZPJMESA-N 436.537 3.538 0 40 IHAB O=C(NCc1ccc(Cl)cc1Cl)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 19868749 HPMZCCIDZTYPAS-ZDUSSCGKSA-N 433.382 3.772 0 40 IHAB CCCCS(=O)(=O)Nc1cc2c(C(C)=O)c(C)n(S(=O)(=O)CCCC)c2cc1C 19923862 BAAGNRAYHMIGEF-UHFFFAOYSA-N 442.603 3.981 0 40 IHAB O=C(NCCSCc1ccccc1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 20490717 GVQCJVLZDXKYEU-UHFFFAOYSA-N 432.611 3.666 0 40 IHAB CCOc1ccc(CNC(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)cc1OCC 22400759 NCOLTVNQGYMQCE-UHFFFAOYSA-N 448.585 3.690 0 40 IHAB COc1cc(C)c(CN2CCN([C@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)CC2)cc1OC 22787231 ZMPAQJGCEGGOFL-RTBURBONSA-N 443.563 3.535 0 40 IHAB CCCCN1C(=O)c2ccc(C(=O)OCC(=O)N(C)Cc3ccc(Cl)s3)cc2C1=O 23220550 WKDZHNVQRGKBSF-UHFFFAOYSA-N 448.928 3.613 0 40 IHAB CC(C)(C)c1ccc(OCCOC[C@@H](O)CN2CCN(c3ccc(F)cc3)CC2)cc1 23224721 HAPWMXZGOYFQOT-QHCPKHFHSA-N 430.564 3.702 0 40 IHAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)S(=O)(=O)CCn1nnc2ccccc21 24704949 NSYXYVUIOUCOJQ-UHFFFAOYSA-N 430.917 3.807 0 40 IHAB CCc1cccc(C)c1NS(=O)(=O)c1ccc(SC)c(C(=O)N2CCOCC2)c1 26117584 RBDJEMYDZMWVRE-UHFFFAOYSA-N 434.583 3.553 0 40 IHAB COc1ccc(-c2nc(C)c(C(=O)Nc3ccc4c(c3)C(=O)N(C)C4=O)s2)cc1OC 29761576 VUEAQUDWSSSJNB-UHFFFAOYSA-N 437.477 3.614 0 40 IHAB CCOc1cc2c(cc1NC(=O)CCc1c(C)nc3c(c(OC)nn3C)c1C)O[C@H](C)C2 30726767 RJBRPAAVYWZMCL-CYBMUJFWSA-N 438.528 3.887 0 40 IHAB O=C(c1ccccc1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)N1CCOCC1 30754768 NEZBLLGUNLWTNX-UHFFFAOYSA-N 438.505 3.752 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1 33696292 DCHOEUANDHADOF-UHFFFAOYSA-N 445.324 3.575 0 40 IHAB Cc1cc(=O)c(C(=O)NCc2ccc(CN(C)C(C)C)cc2)nn1-c1ccc(Cl)cc1 40156448 IRJPHUXPLLTSOV-UHFFFAOYSA-N 438.959 3.965 0 40 IHAB COc1ccc(OCc2noc(CNC(=O)C(C)(C)Oc3ccc(Cl)cc3)n2)cc1 44227208 YYAVUCQIDHKERQ-UHFFFAOYSA-N 431.876 3.784 0 40 IHAB COC(=O)c1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2CC(C)C)cc1 57426271 IIQUNLBSIZWZEP-UHFFFAOYSA-N 431.539 3.631 0 40 IHAB COc1cc(NC(=O)Cn2cccc2-c2nc(-c3ccc4c(c3)OCO4)no2)cc(OC)c1 57487034 YNMOHSGXFOKBGR-UHFFFAOYSA-N 448.435 3.590 0 40 IHAB Cc1nnc2ccc(-c3cccc(S(=O)(=O)Nc4ccc(Br)cc4)c3)nn12 64835853 MTGUIOMEYIDDIR-UHFFFAOYSA-N 444.314 3.663 0 40 IHAB Cc1nc([C@H]2CCCN2C(=O)Cc2c(C)noc2C)nc2c1CCCN2Cc1ccccn1 72372931 QIQLLBPCKADLOR-JOCHJYFZSA-N 446.555 3.644 0 40 IHAB CNC(=O)c1sc2ncccc2c1[C@@H]1CN(Cc2cn(C(C)=O)c3ccccc23)CCO1 72383120 JCVVSKPFMCGHER-FQEVSTJZSA-N 448.548 3.844 0 40 IHAB Cc1c(C(=O)N2CCC[C@@H](c3cc(C(F)F)n4ncnc4n3)C2)oc2c1C(=O)CCC2 72395380 DHNRAGYKRZLDFX-GFCCVEGCSA-N 429.427 3.502 0 40 IHAB COc1cc(COCC2CCN(CC(=O)Nc3ccc(F)cc3F)CC2)cc(OC)c1 77191429 CDDBFMKPKURHPJ-UHFFFAOYSA-N 434.483 3.849 0 40 IHAB FC(F)(F)c1ccc(I)c(NCCCOC[C@H]2CCCO2)n1 95443268 ZQMHNMWCBDRECQ-SNVBAGLBSA-N 430.208 3.703 0 40 IHAB O=C(Cc1cc2c(cc1Br)OCCO2)N[C@H]1CCCN(c2cccc(F)c2)C1 97002121 LCZBSTINICQSCO-INIZCTEOSA-N 449.320 3.687 0 40 IHAB COc1cccc(OC[C@H]2[C@@H]3CC[C@H](C3)N2C(=O)c2cc(OC)c(OC)c(OC)c2)c1 100112384 JAVAMLPZBFIAOI-MDYRTPRTSA-N 427.497 3.793 0 40 IHAB Cc1ccc(CN2CCCC[C@@H]2c2cc3nc4c(c(O)n3n2)CN(C(=O)C2CC2)CC4)cc1 100243226 IDLDANCFJBZFNC-HSZRJFAPSA-N 445.567 3.765 0 40 IHAB Cc1ncc(-c2onc(C)c2C)c([C@H]2CC[C@H](CNC(=O)c3ccc(C)[nH]c3=O)CC2)n1 100743997 OUXGXHDJDLBPDS-HDICACEKSA-N 435.528 3.757 0 40 IHAB CCOc1ccc(N(CCCC(=O)N[C@@H](C)c2ccc(OC)cc2)S(C)(=O)=O)cc1 113962295 FYHJRXQGKSAEGV-KRWDZBQOSA-N 434.558 3.518 0 40 IHAB Cc1ccc(N([C@H](C)C(=O)NCCSc2ccccc2)S(C)(=O)=O)cc1Cl 220356974 XHFQZKMNSPGMMI-OAHLLOKOSA-N 426.991 3.711 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1 220531713 MZBFJEVUFTVHRX-LJQANCHMSA-N 432.542 3.663 0 40 IHAB CC[C@@H](C(=O)N1CCC(Cc2ccccc2)CC1)N(c1ccc(OC)cc1)S(C)(=O)=O 220644553 ZFVILHOGMOPWOR-QHCPKHFHSA-N 444.597 3.721 0 40 IHAB COC(=O)c1cn(S(=O)(=O)c2ccc(SC)c(NC(=O)C(C)C)c2)c2ccccc12 222649178 HZUUWBULRIWOCV-UHFFFAOYSA-N 446.550 3.981 0 40 IHAB C[C@H](NC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1)c1ccc2c(c1)CCCC2 222982213 FOEPAISMEYEHDN-SFHVURJKSA-N 426.582 3.982 0 40 IHAB COc1ccc(CNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)c2ccc(C)cc2)cc1 223373317 AMQOHSHHSYVZIE-UHFFFAOYSA-N 436.533 3.685 0 40 IHAB CC(C)OC(=O)c1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 223425394 OJKDCXMZFPZGFV-UHFFFAOYSA-N 438.933 3.543 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N[C@H](C)c1cc(C)c(C)cc1C 223439397 GYFOBUREPJQLLE-GOSISDBHSA-N 430.570 3.896 0 40 IHAB O=C(Nc1cccc(N2CCCC2=O)c1)c1cccc(S(=O)(=O)Nc2ccccc2)c1 223929242 LIIULPGOIFZSDW-UHFFFAOYSA-N 435.505 3.867 0 40 IHAB COc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)Nc3cccc(C(C)=O)c3)c2)cc1 224282927 SJTDHDLMVNIJII-UHFFFAOYSA-N 438.505 3.975 0 40 IHAB CC[C@H](C(=O)NCCOc1ccc(C)c(C)c1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 224313900 PMXLJTYJKZDVFL-JOCHJYFZSA-N 432.586 3.660 0 40 IHAB COCc1cccc(NC(=O)CN2c3ccc(F)cc3-c3ccccc3S2(=O)=O)c1 224371823 TYPIJHBFZJEHSV-UHFFFAOYSA-N 426.469 3.787 0 40 IHAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)[nH]1 225467870 ITEFHBZAUABDFM-UXHICEINSA-N 441.582 3.575 0 40 IHAB COCCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CCC(=O)Nc1ccccc1 225525952 GUUYWHPUQLYULH-DHIUTWEWSA-N 449.580 3.531 0 40 IHAB COc1ccc(N(C)C(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1 225997469 LMEKQOCJTMAJFW-UHFFFAOYSA-N 438.549 3.592 0 40 IHAB Cc1ncsc1C(=O)N1CC[C@@H](c2nc(C)c3c(n2)N(CC2CCCCC2)C(=O)C3)C1 257222385 DTBVCAPNGOFSNK-QGZVFWFLSA-N 439.585 3.649 0 40 IHAB Cc1ccc2c(CC(=O)N3CCNC(=O)[C@@H]3Cc3ccc(-c4ccncc4)cc3)coc2c1 257288333 PTTYEZPDWHCGNF-DEOSSOPVSA-N 439.515 3.915 0 40 IHAB Cc1cc(C)nc(NCCC(=O)N2CCO[C@H](c3cccc(Cc4ccccc4C)n3)C2)n1 257337689 YTZISSXXDMVLIY-DEOSSOPVSA-N 445.567 3.790 0 40 IHAB Cc1ccc(C)n1NC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 408683204 KTHURHUNTHOBMK-GOSISDBHSA-N 434.471 3.620 0 40 IHAB Cc1ccc([C@@H]2[C@@H](NC(=O)c3ccc(Cl)cc3)C(=O)N/[N+]2=C\c2ccc(F)cc2)cc1 409060244 ZZHPLGYBJQNRIN-MYPDDRRYSA-O 436.894 3.804 0 40 IHAB CC(C)(C)c1nc(CS(=O)(=O)c2ncc(-c3ccccc3)n2CC(F)(F)F)no1 590407278 IXIRNJZGQULEBQ-UHFFFAOYSA-N 428.436 3.767 0 40 IHAB Cc1ccccc1[C@@H](NC(=O)Cn1cc(Br)c(O)nc1=O)C1CCC(C)CC1 602842760 WKHYALCBWJLYSZ-XBMPDCEQSA-N 448.361 3.704 0 40 IHAB CC[C@H](Nc1nc(N)nc(N)n1)c1ccccc1OCc1ccccc1Br 1185592532 FGVDEBAOHUHTBL-HNNXBMFYSA-N 429.322 3.941 0 40 IHAB COc1cc(/C=C2/N=C(c3cc(F)c(F)cc3Cl)OC2=O)cc(OC)c1OC(C)=O 677526 XANROQNXPKPLOY-SYZQJQIISA-N 437.782 3.905 0 40 IHAB COC(=O)c1ccccc1NC(=O)CSc1nnc(CNc2cccc(Cl)c2)o1 976620 UKKIKLKMRYBRFM-UHFFFAOYSA-N 432.889 3.853 0 40 IHAB COc1ccc2c(C)c(CCC(=O)N[C@@H](Cc3ccc(Cl)cc3)C(=O)O)c(=O)oc2c1 2106455 AKWANRCWHIDOQA-IBGZPJMESA-N 443.883 3.508 0 40 IHAB biogenic COc1ccc(Cn2c(N)c(C(=O)OC[C@@H]3CCCO3)c3nc4ccccc4nc32)cc1 2412221 GJWIEJUWLJGFFG-KRWDZBQOSA-N 432.480 3.559 0 40 IHAB O=C(O)c1ccccc1C(=O)NCCCc1c(C(=O)O)[nH]c2ccc(Br)cc12 4013132 XBSFCYWLXDNMOM-UHFFFAOYSA-N 445.269 3.689 0 40 IHAB c1ccc(CO[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3n2nnnc2-c2ccc(-c3ccccc3)cc2)cc1 4259505 BILQEWVBQGSBDW-ZYQDXHPFSA-N 440.503 3.931 0 40 IHAB biogenic,in-vitro O=C(Nc1nc2ccccc2[nH]1)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 6144257 IYNZILWKGNITFQ-UHFFFAOYSA-N 432.505 3.562 0 40 IHAB COc1ccc2[nH]c(=O)c(CN(CCCN(C)C)C(=S)Nc3cccc(C)c3)cc2c1 6442336 CGNDQOHKNWJUJV-UHFFFAOYSA-N 438.597 3.996 0 40 IHAB O=c1[nH]c2cc3c(cc2cc1CN(Cc1ccco1)C(=S)NCc1ccccc1)OCO3 6446584 WHNSRXGULDCLOB-UHFFFAOYSA-N 447.516 3.927 0 40 IHAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)c1 8723360 VOYUFXTZYDOZMP-QGZVFWFLSA-N 440.525 3.609 0 40 IHAB C[C@H](Sc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N(C)C2CCN(C)CC2)cc1 9244408 MQOZARHMCUATMQ-KRWDZBQOSA-N 447.626 3.521 0 40 IHAB CCc1ccc(N2CCCn3c2nc2c3c(=O)n(CCCc3ccccc3)c(=O)n2C)cc1 9282201 OCNGAPKBWVYMHV-UHFFFAOYSA-N 443.551 3.634 0 40 IHAB CCn1c(SCC(=O)Nc2nnc(C3CC3)s2)nnc1[C@@H](C)Oc1ccccc1 9302752 IAPPQTXXLGOXJC-GFCCVEGCSA-N 430.559 3.898 0 40 IHAB Cc1cc(Br)ccc1NC(=O)c1cn(C)cc2c(=O)n(-c3ccccc3)nc1-2 9661363 CSRIOBXCIVSITC-UHFFFAOYSA-N 437.297 3.999 0 40 IHAB Cc1ccc(-c2cc(NC(=O)CSc3nnc(NC[C@H]4CCCO4)s3)on2)cc1 9666716 ASFCJCOIJZFEAY-CQSZACIVSA-N 431.543 3.823 0 40 IHAB O=C(COc1ccc(Cl)cc1)N(Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 9972141 RVPPLRYGHZCLEX-KRWDZBQOSA-N 428.337 3.588 0 40 IHAB COc1ccc(OC)c(-c2ccc(=O)n(CC(=O)Nc3cc(Cl)ccc3Cl)n2)c1 10220833 JGRQTAIXXYSGDK-UHFFFAOYSA-N 434.279 3.873 0 40 IHAB O=C(NCCCN1CCCCC1)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 10278948 HPCZTPLCEUHLNP-QHCPKHFHSA-N 427.570 3.660 0 40 IHAB COC(=O)c1c(C)n(S(=O)(=O)c2c(C)c(C)cc(C)c2C)c2ccc(O)c(C(=O)O)c12 11691641 BGYINMDYSHCQAS-UHFFFAOYSA-N 445.493 3.611 0 40 IHAB O=C(Nc1ccc(F)c(Cl)c1)N1CCN(c2ccc(Nc3ccccn3)nn2)CC1 11697560 WLRNUJKTAGHGHI-UHFFFAOYSA-N 427.871 3.762 0 40 IHAB Cc1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccc(Br)c2)no1 12028746 NSYWWICCUQGTRU-KRWDZBQOSA-N 428.286 3.725 0 40 IHAB Cc1ccc(N2C(=O)[C@H]3C(=O)Oc4ccc(Br)cc4[C@H]3C(C)(C)C2=O)cc1 12447771 DJDXMIVSCGGMBJ-DLBZAZTESA-N 428.282 3.976 0 40 IHAB COc1ccc(Nc2nnc(S[C@H](C)C(=O)Nc3sccc3C(N)=O)s2)cc1 12522129 SVZMZNBQUHQHFC-SECBINFHSA-N 435.556 3.570 0 40 IHAB CCOc1cc2c(cc1NS(=O)(=O)c1cc(Br)ccc1OC)O[C@@H](C)C2 12584477 AJFPFZDVJSMHHL-NSHDSACASA-N 442.331 3.981 0 40 IHAB CC(=O)NCc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2N2CCCCC2)s1 12633402 RUXDPCGVZKVTEC-UHFFFAOYSA-N 427.979 3.829 0 40 IHAB COc1cc2cc(CN(C[C@@H]3CCCO3)C(=O)NC3CCCCC3)c(=O)[nH]c2cc1OC 12709221 PBQGPCMEKHMPOA-IBGZPJMESA-N 443.544 3.569 0 40 IHAB O=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)c1ccc(C(F)(F)F)cc1 12754259 LKNCOOLRBGDIFJ-UHFFFAOYSA-N 426.460 3.810 0 40 IHAB O=C(CSc1nnc(C2CC2)n1Cc1ccco1)Nc1ccc2c(c1)OC(F)(F)O2 12773682 NBNQKDINQCYIJR-UHFFFAOYSA-N 434.424 3.849 0 40 IHAB C[C@H](NC(=O)COc1ccccc1C(=O)NCc1ccccc1)c1ccc2c(c1)OCCO2 13127100 UDCOWOSPXOFHQX-SFHVURJKSA-N 446.503 3.644 0 40 IHAB COc1ccccc1NC(=O)c1ccc(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1 13149824 WWKKOAKRYQQEBT-UHFFFAOYSA-N 442.475 3.755 0 40 IHAB in-vitro CCOc1ccc(NS(=O)(=O)c2cc(C)n(S(=O)(=O)c3ccccc3)c2C)cc1 13585955 XHKVTMHDWMLKER-UHFFFAOYSA-N 434.539 3.541 0 40 IHAB CCOc1ccc(CNC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)cc1 13669929 AQMMPKCUWYEHGH-UHFFFAOYSA-N 438.549 3.905 0 40 IHAB COc1ccc([C@H]2C(=O)N(c3ccccc3OC)CC(=O)N2c2ccccc2OC)cc1 15413257 IFSVZAMFGGLUKU-DEOSSOPVSA-N 432.476 3.834 0 40 IHAB COc1ccccc1CNC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 15739351 IJAACCLUEAUIKC-UHFFFAOYSA-N 438.549 3.566 0 40 IHAB O=C(CCC(=O)c1ccccc1)NCCC(=O)OCCOc1ccc(Br)cc1 16695664 XDOCCTCLPUOGJE-UHFFFAOYSA-N 448.313 3.541 0 40 IHAB CC1=C[C@@H]([C@H]2CC(=O)N(c3ccc(C)cc3)C2=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]12 18355154 CPQIYYIWZOCUGT-QMBPOEKNSA-N 442.515 3.955 0 40 IHAB Cc1cccc(-c2cccc(C[C@]3(C(N)=O)CCCN(C(=O)c4cnc(C)cn4)C3)c2)c1 19235440 LJQWGJRTRVTMCH-AREMUKBSSA-N 428.536 3.711 0 40 IHAB CCN(CC)CCNc1nc(-c2ccncc2)nc2c1CN(Cc1ccccc1F)CC2 19526413 SWSOLCNPZMHXED-UHFFFAOYSA-N 434.563 3.990 0 40 IHAB CCOc1ccc(O[C@@H](C)C(=O)N2CCC(c3cc(C(F)F)n4ncnc4n3)CC2)cc1 19533570 WQHAJCHBYCFEDH-AWEZNQCLSA-N 445.470 3.634 0 40 IHAB CNc1nc(C)c(C(=O)N2CC[C@@H](c3nc(N(C)C)ncc3-c3cccc(F)c3)C2)s1 19695026 UFXGXFHTKBGWGM-OAHLLOKOSA-N 440.548 3.785 0 40 IHAB CC(C)(C)SCCNC(=O)[C@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 19860300 QDWJOOLEZZLJFM-INIZCTEOSA-N 433.039 3.530 0 40 IHAB CCOC(=O)[C@](NCCc1ccccc1)(NC(=O)c1ccccc1Cl)C(F)(F)F 19938841 QBVAMSQCACEPOM-IBGZPJMESA-N 428.838 3.724 0 40 IHAB COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cccc(C)c2)cc1C 20008654 VMXQNIJDUUDEQR-QFIPXVFZSA-N 438.549 3.840 0 40 IHAB CC(=O)Nc1ccccc1-c1nc2ccccc2n(CC(=O)Nc2ccc(F)cc2)c1=O 20095873 GAAAVYAROKCRQS-UHFFFAOYSA-N 430.439 3.800 0 40 IHAB COc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)cc1 20450829 HTHCAKALCAFNPS-KRWDZBQOSA-N 446.569 3.760 0 40 IHAB Cc1csc2nc(CSc3nnc(NC(=O)c4ccccc4F)s3)cc(=O)n12 20984284 XVVYKAUVLOBYLI-UHFFFAOYSA-N 433.515 3.600 0 40 IHAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)OC(=O)CCCc1c[nH]c2ccccc12 21330881 SBKNHNLFUNWVQB-GOSISDBHSA-N 435.524 3.794 0 40 IHAB O=S(=O)(c1cccc(CSc2nccn2-c2cccc(Cl)c2)c1)N1CCOCC1 22079889 LRKOKGQUOVVSSW-UHFFFAOYSA-N 449.985 3.839 0 40 IHAB CCn1nnnc1NCc1cc(Br)c(OCc2ccc(F)cc2)c(OC)c1 22111927 IWDSRIWNZZMKOY-UHFFFAOYSA-N 436.285 3.794 0 40 IHAB CS(=O)(=O)N(Cc1ccccc1)c1ccc(OCC(=O)Nc2ccc(F)c(F)c2)cc1 22231460 CUPKLHCNVZBJMF-UHFFFAOYSA-N 446.475 3.949 0 40 IHAB Cc1cccc(C)c1NC(=O)CN1CCN(Cc2nnc(-c3ccc(Cl)cc3)o2)CC1 22913475 SBMHYIVXWAZEGX-UHFFFAOYSA-N 439.947 3.763 0 40 IHAB CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N(Cc2ccccc2)CC(F)(F)F)C1=O 22983664 ABXPPQMLJINPPF-JOCHJYFZSA-N 447.457 3.825 0 40 IHAB O=C(N[C@H](Cc1ccccc1)C(=O)N1CCN(Cc2ccccc2F)CC1)c1ccccc1 23441657 UPSOKTSOUDCJTK-RUZDIDTESA-N 445.538 3.511 0 40 IHAB COc1ccc(OC)c(NC(=O)[C@H](C)OC(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)c1 24199768 NQHFCASTYNIFBM-BTYIYWSLSA-N 438.480 3.538 0 40 IHAB CCN(Cc1ccc(Cl)s1)C(=O)c1cc(C(C)C)nc2c1c(=O)[nH]c(=O)n2CC 24443645 QYTGYUWEQCPGNO-UHFFFAOYSA-N 434.949 3.605 0 40 IHAB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)N[C@@H](C)CCc2ccccc2)CC1 24611096 MXSBDBATVJURRC-FQEVSTJZSA-N 428.598 3.674 0 40 IHAB O=C(c1cccs1)N1CCN(C[C@H](O)COc2ccc(Oc3ccccc3)cc2)CC1 24865890 VNXOLAHJWBMXGJ-IBGZPJMESA-N 438.549 3.738 0 40 IHAB Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)N[C@H](c3cccc(F)c3)c3nccn3C)c12 25053381 WPGFNPZBIZVITP-OAQYLSRUSA-N 444.470 3.929 0 40 IHAB O=C([C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1)N1CCCCCC1 26109949 KBHDNWOXVJRRKE-MRXNPFEDSA-N 433.401 3.938 0 40 IHAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)Cc2csc(-c3ccco3)n2)CC1 26263501 LVAICZKMWHPGRN-UHFFFAOYSA-N 439.493 3.552 0 40 IHAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 29335477 BEFITOFWWAQBTL-UHFFFAOYSA-N 432.885 3.752 0 40 IHAB CN(C(=O)c1ccc(CSc2nc3ccccc3s2)cc1)[C@H]1CCS(=O)(=O)C1 32718829 QWJCAJICVCMPAN-INIZCTEOSA-N 432.592 3.848 0 40 IHAB CCc1ccc2[nH]c(=O)c([C@H]3c4cc(OC)c(OC)cc4CCN3C(=O)C3CC3)cc2c1 35313515 AXGCGDOXTMTWRM-XMMPIXPASA-N 432.520 3.992 0 40 IHAB COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1ccc2c(c1)nc1n2CCN(CC(C)C)C1 40267232 QWFBYYLAKNBSRD-QHCPKHFHSA-N 436.512 3.806 0 40 IHAB CC(=O)Nc1cc(-c2ccccc2)nn(CC(=O)Nc2ccccc2C(F)(F)F)c1=O 46079126 PUQVHKVGZSDNSV-UHFFFAOYSA-N 430.386 3.526 0 40 IHAB O=C(c1csc(Nc2ncccn2)n1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 49032224 WVJZHPKNXXIYHI-UHFFFAOYSA-N 434.447 3.658 0 40 IHAB Cc1cc2nn(CC(=O)Nc3cccc(C(F)(F)F)c3)c(=O)n2c(-c2ccccc2)n1 49407060 JNPVAUWGGSYKAJ-UHFFFAOYSA-N 427.386 3.524 0 40 IHAB COc1ccc(OC)c(NC(=O)CSc2nc3ccsc3c(=O)n2CC(C)C)c1 57426218 IJLDGXAKJDLRJY-UHFFFAOYSA-N 433.555 3.862 0 40 IHAB CCOC(=O)c1c(NC(=O)CN2CCC[C@@H]2C2CCCCC2)sc(C(=O)NC)c1C 71812723 HUEXLCKOCYVOKL-MRXNPFEDSA-N 435.590 3.576 0 40 IHAB COc1ccc(CCCNc2cc(Cn3c(C)nc4ccccc43)nc(N)n2)cc1OC 72373284 CXNONWQSXVSNJS-UHFFFAOYSA-N 432.528 3.827 0 40 IHAB Cc1cc(-c2cncnc2)cc([C@@H]2CCN(C(=O)Cc3ccc4nc(N)sc4c3)C2)n1 72374697 HVONUAUNWRXWKC-MRXNPFEDSA-N 430.537 3.598 0 40 IHAB Cc1nc2c(c(Nc3ccccn3)n1)CCN(S(=O)(=O)c1cccc(C(F)(F)F)c1)C2 72380778 NSASRYVZDASYMR-UHFFFAOYSA-N 449.458 3.689 0 40 IHAB CC(C)(C)OC(=O)N(CC(=O)Nc1ccc(Oc2ncccn2)cc1)C[C@@H]1CCCO1 84199865 BDQWOFSIWSYJCH-SFHVURJKSA-N 428.489 3.624 0 40 IHAB Cc1nn(C)c(Cl)c1S(=O)(=O)N(C)c1nc2c(s1)C[C@@H](c1ccccc1)CC2 89512438 XSPSVVYIEOOWHL-AWEZNQCLSA-N 436.990 3.936 0 40 IHAB CN(C)c1ccc(NC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2cccs2)cc1 95348948 XBNBREDNDYHWIW-HXUWFJFHSA-N 441.578 3.568 0 40 IHAB CN(Cc1ccccc1)Cc1cc(C[C@@H]2CC[C@H](O)[C@@H](CNCc3ccccc3)O2)no1 96296029 HTKCHFUIANIGNL-AYRHNUGRSA-N 435.568 3.547 0 40 IHAB biogenic,in-vitro COc1cc2c(cc1OC)CN(C(=O)[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1)CC2 101493005 ITNDKFHGMQYHEW-CALCHBBNSA-N 432.561 3.920 0 40 IHAB CC[C@@H](C(=O)NCCCc1cccc(OC)c1)N(c1ccc(Cl)cc1)S(C)(=O)=O 219106683 QPZLAEZPTWAAIY-FQEVSTJZSA-N 438.977 3.642 0 40 IHAB O=C(NCCSC1CCCCC1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 219750358 LUMZEVJOXLIMMO-GOSISDBHSA-N 431.023 3.675 0 40 IHAB CC[C@@H](C(=O)Nc1ccc(OC)c(OC)c1)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O 220728589 QNRXAGQCEVLNKC-KRWDZBQOSA-N 440.949 3.849 0 40 IHAB O=C(NCc1ccccc1)[C@@H]1CN(C(=O)COc2ccc(Cl)cc2)c2ccccc2O1 222970944 UXUMHKSNKHFUDG-QFIPXVFZSA-N 436.895 3.829 0 40 IHAB COCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 223489738 WAHHTXOIVPJMDV-VWLOTQADSA-N 434.511 3.901 0 40 IHAB O=C(O)c1ccc(Cl)c(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCO)o2)c1 223596188 CNEDKEDGRQZMNP-RTBURBONSA-N 443.912 3.658 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCCOCc1ccccc1 224101096 WQRGGXPOJDODQE-UHFFFAOYSA-N 430.570 3.506 0 40 IHAB CC(C)Oc1ccc(N(CCCC(=O)NC[C@@H](C)c2ccccc2)S(C)(=O)=O)cc1 224906250 ZCDZNGBBOMZRHF-LJQANCHMSA-N 432.586 3.940 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2cc(C(F)(F)F)ccc2Cl)cc1F 225112326 QQPFPCJXAQWARH-UHFFFAOYSA-N 441.786 3.786 0 40 IHAB O=C(CCCc1c[nH]c2ccccc12)NCCn1cc(-c2nc(-c3ccsc3)no2)nn1 253471871 GHLUWKGFRXRJMI-UHFFFAOYSA-N 447.524 3.677 0 40 IHAB C[C@@]12CC[C@@H](C[C@@H]1C(=O)N1CC[C@]3(O)CCCC[C@H]3C1)[C@@]1(C2)NC(=O)c2ccccc2N1 253596946 YLADSPDXWVIEID-ARACDHMWSA-N 437.584 3.518 0 40 IHAB CC(C)c1ccc(NC(=O)CN2CC[C@@]3(CCCN3CCc3ccccc3)[C@@H](O)C2)cc1 257213906 CJPRDKBIDRRFBR-BDYUSTAISA-N 435.612 3.892 0 40 IHAB CC(=O)NCCCCCC(=O)N1CC[C@H]2O[C@H]3c4ccccc4OC(C)(C)[C@@H]3C[C@H]2C1 257249791 JJUGAVVGGAVPJZ-WTMJVXIESA-N 428.573 3.849 0 40 IHAB Cc1c(C)n(C)c2ccc(C(=O)N3CCC[C@H](CC(=O)NCC4CCOCC4)C3)cc12 257318349 VNNKLGLFTDHGTD-HXUWFJFHSA-N 425.573 3.580 0 40 IHAB COc1ccc([C@@H]2CN(C(=O)C3(Cc4ccc(F)cc4)CCN(C)CC3)CCN2C)cc1 257322293 WFJFXEGAIHNJSQ-DEOSSOPVSA-N 439.575 3.604 0 40 IHAB CCOc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)C1=O 409196282 VHKLYHOAKGAHIS-YBFXNURJSA-N 440.477 3.532 0 40 IHAB CCCCCNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 409266089 JOMCGJSRVGLWNT-UHFFFAOYSA-N 434.558 3.514 0 40 IHAB COc1ccccc1N(CC(=O)Nc1c(F)cccc1F)S(=O)(=O)c1ccccc1 409272052 OBIYVUNRQOOPPD-UHFFFAOYSA-N 432.448 3.807 0 40 IHAB COc1ccc(C2(NC(=O)c3cc(S(=O)(=O)N4CCCCC4)ccc3C)CC2)cc1 521852397 KKZAUNCBXJDOBI-UHFFFAOYSA-N 428.554 3.597 0 40 IHAB O=C(c1ccc(C(F)(F)F)nc1)N1CCC(Oc2ncc(-c3ccncc3)cn2)CC1 1889214615 MCKRSWGSOXUTOT-UHFFFAOYSA-N 429.402 3.636 0 40 IHAB CC[C@@]1(C(=O)c2ccccc2)[C@@H]2c3cc(Br)ccc3OC(=O)[C@@]21C(=O)OC 974355 SPEZWJOIRKUOFO-NDXORKPFSA-N 429.266 3.904 0 40 IHAB O=C(NC1CCCC1)[C@H](c1ccncc1)N(C(=O)c1csnn1)c1cccc(F)c1 1378400 ZVMOBDGDVKEFPN-IBGZPJMESA-N 425.489 3.519 0 40 IHAB CCCOC(=O)[C@@H](C)n1cnc2sc(C(=O)Nc3ccccc3OC)c(C)c2c1=O 1911929 PGHVHXBZWSGOAE-CYBMUJFWSA-N 429.498 3.542 0 40 IHAB CCOC(=O)c1c(-c2ccc(OC)cc2)oc2cc(Br)c(OCC(N)=O)cc12 2213023 XPTGMRHFVNHPPP-UHFFFAOYSA-N 448.269 3.912 0 40 IHAB biogenic COc1ccc(OC)c([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(=O)NCc2ccccc2)c1 2393211 KCWWJCGIVTXAJS-DNRSQYFGSA-N 438.568 3.688 0 40 IHAB O=C(CSCC(=O)N1CCCC1)Nc1nc(-c2ccc(Br)cc2)cs1 2723369 IQWFGLURLBDICK-UHFFFAOYSA-N 440.388 3.867 0 40 IHAB COc1ccc(CCNC(=O)CSc2nc(-c3cccc(C)c3)ns2)cc1OC 2917574 CDFPGKATTNVVGD-UHFFFAOYSA-N 429.567 3.982 0 40 IHAB CCCn1nc(C(=O)OCC(=O)c2cc(C)n(CC(F)(F)F)c2C)c2ccccc2c1=O 3324260 QJMOSQCWDWLOFP-UHFFFAOYSA-N 449.429 3.827 0 40 IHAB C[C@@H](OC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 3551657 ZFMJEWABBQTYEH-MRXNPFEDSA-N 429.436 3.639 0 40 IHAB O=C(Nc1c(Cl)cc(Cl)cc1Cl)c1nn[nH]c1NS(=O)(=O)c1ccccc1 6173448 PVZPDNKNMWQAKN-UHFFFAOYSA-N 446.703 3.818 0 40 IHAB COc1cccc(CNC(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H]3c4ccccc4C(=O)N23)c1 8790679 RZAYGALATYLSJC-ZCYQVOJMSA-N 437.499 3.963 0 40 IHAB biogenic CCN1CCc2c([nH]c3ccccc23)[C@H]1c1c(O)nc(O)n([C@@H](C)c2ccccc2)c1=O 9042223 OAWQTLWJWDGFMD-OYHNWAKOSA-N 430.508 3.713 0 40 IHAB biogenic CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)OCCO3)c1 9128444 DNKXIHPALZSUOK-UHFFFAOYSA-N 430.526 3.663 0 40 IHAB CCCn1c(SCC(=O)c2ccc3[nH]c(=O)[nH]c3c2)nc2sc(CC)cc2c1=O 9362257 QSJKLOUTSQTFFH-UHFFFAOYSA-N 428.539 3.575 0 40 IHAB CCOc1ccc(-c2nnc3ccc(SCC(=O)N4CCc5ccccc54)nn23)cc1 9415223 FMRUUGVDZULMRH-UHFFFAOYSA-N 431.521 3.871 0 40 IHAB Cc1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(Cl)cc3)c2=O)cc1Cl 9416381 LHCPRJMGUWMCLT-UHFFFAOYSA-N 428.279 3.836 0 40 IHAB CCn1c(CSc2ncnc3sccc23)nc2cc(S(=O)(=O)N(C)C)ccc21 9491396 MAPRNNWLDZZMDX-UHFFFAOYSA-N 433.584 3.604 0 40 IHAB Cc1cccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1C 9665785 ABQKHDDNIJPBPE-UHFFFAOYSA-N 444.553 3.664 0 40 IHAB CCn1c(CN(C)Cc2cccs2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 9672181 LWLDDTSSXMTOMC-UHFFFAOYSA-N 432.615 3.924 0 40 IHAB C[C@H](NC(=O)CN1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21)c1cc2ccccc2o1 9783321 YMNUIXYGHPHEHY-MHECFPHRSA-N 447.535 3.890 0 40 IHAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2cccc(N3CCCS3(=O)=O)c2)cs1 10489939 XUYUARPROVFHHS-UHFFFAOYSA-N 439.562 3.861 0 40 IHAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 10996398 BNTTWKDDPVKSFO-UHFFFAOYSA-N 435.484 3.846 0 40 IHAB Cc1nc2ccccc2c(C)c1C(=O)OCC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 11086400 KIQNYRJTNDTTQT-UHFFFAOYSA-N 448.447 3.643 0 40 IHAB CC(C)(C)c1ccc(C(=O)N2CCC3(CC2)NC(=O)N(CCOc2ccccc2)C3=O)cc1 11694104 SNCKPQCJDCNYDV-UHFFFAOYSA-N 449.551 3.590 0 40 IHAB COC(=O)C1CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2OCc2ccccc2)CC1 11694423 YOPRAAAZJIUGSI-UHFFFAOYSA-N 437.471 3.616 0 40 IHAB O=C(NCCOc1ccc2nnc(-c3ccccc3)n2n1)c1ccc(C(F)(F)F)cc1 12443180 RAYKKHNIRDWXJD-UHFFFAOYSA-N 427.386 3.619 0 40 IHAB CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)cc1 12693892 NWOKUHHXIPWEMQ-UHFFFAOYSA-N 431.514 3.727 0 40 IHAB CCCn1c(CCC(=O)NC2CCCCC2)nc2cc(S(=O)(=O)N(CC)CC)ccc21 12738971 OUAVFRZEUAMMHY-UHFFFAOYSA-N 448.633 3.858 0 40 IHAB CC(=O)c1cccc(OC[C@@H](O)Cn2cnc3scc(-c4ccc(F)cc4)c3c2=O)c1 12797520 VIYJOKXSQUWNQV-SFHVURJKSA-N 438.480 3.907 0 40 IHAB COc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)c2csnn2)c2ccccc2F)cc1 12869871 SYOLUWMSZTXSQJ-IBGZPJMESA-N 442.516 3.989 0 40 IHAB O=S(=O)(c1ccccc1C(F)(F)F)N1CCN(Cc2nc3ccccc3s2)CC1 12977279 FMKJYQXEEKSELT-UHFFFAOYSA-N 441.500 3.822 0 40 IHAB COc1ccc(S(N)(=O)=O)cc1C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 13098908 MIEXGMHFNYWZCQ-UHFFFAOYSA-N 439.518 3.872 0 40 IHAB COc1cccc(NC(=O)CN(C)C(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)c1 13121146 ILRYDJZHNQKKBG-QHCPKHFHSA-N 444.487 3.860 0 40 IHAB C[C@@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)Nc1sccc1C(N)=O 14200511 YCAJHXVTZAEMEJ-SNVBAGLBSA-N 433.584 3.545 0 40 IHAB CCc1nn2c(C)c(C(=O)N3CCN(Cc4ccccc4)CC3)nnc2c1-c1ccccc1 14607686 HWHAPSQBNCRVRV-UHFFFAOYSA-N 440.551 3.620 0 40 IHAB Cc1ccc(N(CC(=O)NCCc2ccc(F)cc2)S(=O)(=O)c2ccccc2)c(C)c1 15229453 KWRKBSYPLREEFZ-UHFFFAOYSA-N 440.540 3.997 0 40 IHAB COc1ccc(CN2Cc3nc[nH]c3C[C@H]2C(=O)N2CCC(Cc3ccccc3)CC2)cc1 15676340 DBTBOFQOWCTMPA-SANMLTNESA-N 444.579 3.827 0 40 IHAB biogenic,in-vitro Cc1cc(OCC(=O)N(Cc2cccc(F)c2)[C@@H]2CCS(=O)(=O)C2)cc(C)c1Cl 15831081 VYWWLYBBFDSTMH-GOSISDBHSA-N 439.936 3.691 0 40 IHAB O=C(NCCc1c[nH]cn1)c1cc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1 17099210 MEQUWIPUJWHYSN-UHFFFAOYSA-N 434.809 3.764 0 40 IHAB CCC(=O)N1CCCc2cc(NS(=O)(=O)c3ccc(NC(=O)C(C)C)cc3)ccc21 17248163 UKJKYEGORVZTLQ-UHFFFAOYSA-N 429.542 3.771 0 40 IHAB COc1cc([C@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]3ON2c2ccccc2)ccc1O 17723874 UELMKLYKBHWQJF-VABKMULXSA-N 430.460 3.760 0 40 IHAB O=C1[C@@H]2[C@@H](c3ccccc3)N3CCCN3[C@@]2(c2ccccc2)C(=O)N1c1ccc(F)cc1 19172788 ORAGLOOZRWYGIC-PPJWLVRDSA-N 427.479 3.888 0 40 IHAB COc1ccccc1-c1ccccc1C[C@@H]1CN(C(=O)c2ccccn2)CCN(C)C1=O 19589625 UZTPXCSFAZYARJ-HXUWFJFHSA-N 429.520 3.530 0 40 IHAB CCn1ccc(C(=O)N2CC[C@@H]3[C@H]2CCCC(=O)N3Cc2ccccc2C(F)(F)F)n1 19713107 NLGRYKXZXWTKNA-RTBURBONSA-N 434.462 3.718 0 40 IHAB COc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2C)C1 19857948 OKFFZNRPMBDIBT-MRXNPFEDSA-N 436.961 3.838 0 40 IHAB CCCOc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1Br 19909462 HZJVJVZCONFMNV-UHFFFAOYSA-N 439.375 3.749 0 40 IHAB CCN(CC(=O)N[C@@H](C)c1ccc(SC)cc1)S(=O)(=O)c1ccc(OC)c(C)c1 19929992 SEDQTTCJWRSKOS-INIZCTEOSA-N 436.599 3.614 0 40 IHAB COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(C)cc2)cc1C 20008662 JMMPOIJQXGKBIC-JOCHJYFZSA-N 438.549 3.840 0 40 IHAB C[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1 20011971 NTHVYKDLPCFSGL-GFCCVEGCSA-N 445.766 3.600 0 40 IHAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1C 20016384 XTEJQVLLLSMMTK-LBPRGKRZSA-N 448.438 3.857 0 40 IHAB COc1ccc([C@H](CC(C)C)NC(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)cc1 20109011 UTEPWIMOISCQKA-FQEVSTJZSA-N 448.585 3.682 0 40 IHAB O=C(NC(=S)Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1ccc2c(c1)OCCO2 20152526 KCVFHDCIKIPBST-UHFFFAOYSA-N 444.896 3.990 0 40 IHAB COc1cccc(N2CCN([C@H](C(=O)O)c3c[nH]c4ccc(Br)cc34)CC2)c1 20744613 ZQOZRONDLAUCRW-FQEVSTJZSA-N 444.329 3.887 0 40 IHAB Cc1ccc(Cl)cc1N1CCN(C[C@H](O)COc2ccc(Br)cc2)CC1 21867013 KOGGYCHHESNDLT-SFHVURJKSA-N 439.781 3.973 0 40 IHAB CCOC(=O)C1CCN([C@H](c2cccc(Cl)c2)c2sc3nc(C)nn3c2O)CC1 23157718 XRCBDDKQEOBNJL-MRXNPFEDSA-N 434.949 3.823 0 40 IHAB O=C(CN1CCN(Cc2cccs2)CC1)Nc1nc(-c2ccc(F)c(F)c2)cs1 23365568 VBQJNWPEXDZZIY-UHFFFAOYSA-N 434.537 3.906 0 40 IHAB CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN[C@H](C)c2ccc(Cl)cc2Cl)C1=O 24808731 YLZHKBWWIKLMTL-ASSNKEHSSA-N 449.338 3.533 0 40 IHAB CN(Cc1c(F)cccc1Cl)Cn1cc(S(=O)(=O)N2CCCC2)ccc1=S 25469930 LBQXGBAYYIZGIE-UHFFFAOYSA-N 429.970 3.884 0 40 IHAB O=C(N[C@H](c1ccccc1)C1CC1)c1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1 29085078 XQQHFSHQEUAWFO-HSZRJFAPSA-N 446.528 3.912 0 40 IHAB CC[S@](=O)c1ccccc1C(=O)OCC(=O)Nc1ccnn1Cc1ccccc1Cl 29449305 GUYSFLGOKTVBOC-SSEXGKCCSA-N 445.928 3.508 0 40 IHAB O=C(CN1CCc2ccccc21)N(Cc1ccc(Cl)cc1)S(=O)(=O)c1cccnc1 32642686 FDGMJRTXJMVVFS-UHFFFAOYSA-N 441.940 3.515 0 40 IHAB Cc1nc(COc2ccc(C(=O)Nc3cc(S(N)(=O)=O)cc(C)c3C)cc2)cs1 32748076 CLRCYQZKJWVJSX-UHFFFAOYSA-N 431.539 3.547 0 40 IHAB C[C@H](NC(=O)Cn1cnc2ccccc2c1=O)c1cccc(NC(=O)c2ccccc2)c1 32925153 DTSYLWCBQVAMQP-KRWDZBQOSA-N 426.476 3.526 0 40 IHAB Cc1ccccc1OCC(=O)Nc1ccc(C)c(OCc2cc(=O)n3ccccc3n2)c1 33268542 ALXJRESDZPYNCQ-UHFFFAOYSA-N 429.476 3.908 0 40 IHAB Cc1ccc(-c2cc(C(=O)N(C)Cc3ccccc3)nn2[C@@H]2CCS(=O)(=O)C2)cc1C 33325695 KKHFMXSEWVIINV-OAQYLSRUSA-N 437.565 3.799 0 40 IHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)C1CCN(Cc2cccc(C)c2)CC1 39754593 ASZUDIQMOCHZGV-UHFFFAOYSA-N 426.513 3.650 0 40 IHAB CC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)NCCc3cccs3)cc2)cc1 40070144 JQIRYPVZYYLHAO-UHFFFAOYSA-N 428.535 3.724 0 40 IHAB CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 40145707 XNEYMENHSJJKIO-GOSISDBHSA-N 439.482 3.975 0 40 IHAB COCc1nn2c(nnc3c(=O)n(CCc4ccc(OC)cc4)ccc32)c1-c1ccccc1 40391153 ORMPMLUTQINAMA-UHFFFAOYSA-N 441.491 3.504 0 40 IHAB COc1ccc(Cn2ccc3c(cnc4c(-c5ccc(F)cc5)cnn43)c2=O)cc1OC 40396566 USTDFCPIZJKLDP-UHFFFAOYSA-N 430.439 3.916 0 40 IHAB CC(C)CC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cccc(F)c3)cc2)CC1 40717392 NYCCFNWPVSDGBP-UHFFFAOYSA-N 442.560 3.647 0 40 IHAB CCNC(=O)COc1ccc([C@@H]2[C@H](Oc3ccccc3)C(=O)N2CCC(C)C)cc1OC 48311582 QIRYTFGFDBOMRA-RPWUZVMVSA-N 440.540 3.587 0 40 IHAB Cc1cc2nnc(SCC(=O)N3CCN(Cc4cccs4)CC3)n2c2ccccc12 48326349 FCRQPAWSMCJLSS-UHFFFAOYSA-N 437.594 3.689 0 40 IHAB CCOc1ccccc1N1CCN(C(=O)c2nnn(-c3ccc(Cl)cc3)c2C)CC1 51317502 SDSNTHSZMBWZTK-UHFFFAOYSA-N 425.920 3.590 0 40 IHAB Cc1ccc(C2=NN(C(=O)CN3CCN(c4ccc(O)cc4)CC3)[C@@H](c3ccco3)C2)cc1 57303517 LCGZROCPIZRCPD-XMMPIXPASA-N 444.535 3.794 0 40 IHAB Cc1ccccc1-n1c(=O)c2sccc2n(CC(=O)Nc2ccc3c(c2)CCC3)c1=O 57489893 YBPIWWHNAICZMZ-UHFFFAOYSA-N 431.517 3.650 0 40 IHAB COc1ccc(NC(=O)[C@H]2C[C@H](CCSC)N[C@]23C(=O)Nc2c(Cl)cccc23)cc1 61999527 HRLOHOFQOKEEDX-ORHBMQHOSA-N 445.972 3.866 0 40 IHAB biogenic COc1ccc(NC(=O)CN2C(=O)C(c3ccc(C)cc3)=NC23CCCCC3)cc1OC 71769000 YNKCQBSOLWGAPQ-UHFFFAOYSA-N 435.524 3.943 0 40 IHAB C[C@H]1CN(C(=O)C2=Cc3ccccc3OC2)CC[C@H]1n1nc(-c2cccs2)ccc1=O 72335400 XTKXZIGYEUBSLS-OXJNMPFZSA-N 433.533 3.857 0 40 IHAB Cc1cc(C)nc(Nc2cccc([C@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)n2)n1 72375204 ZBMMHECUCWLYHP-LJQANCHMSA-N 427.505 3.897 0 40 IHAB CS(=O)(=O)Cc1ccc(C(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)cc1 78879439 RXUWZAIMYQGVLG-UHFFFAOYSA-N 440.609 3.892 0 40 IHAB COc1ccc(Cl)cc1N(CC(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2)S(=O)(=O)c1ccccc1 100623075 GAMCNWBXPVQUKW-GPMSIDNRSA-N 448.972 3.849 0 40 IHAB CC1=NNC(=O)[C@H]1CCC(=O)N1CCC(c2ccc(Cc3cccc(Cl)c3)cn2)CC1 100700607 ICIKICMIMAIOML-NRFANRHFSA-N 438.959 3.934 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(F)ccc3n2CC)cc1 100821142 MTEYOIXSYCWMOD-XDOYNYLZSA-N 435.546 3.633 0 40 IHAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 102570087 UNIVTLIREBHSFL-IYBDPMFKSA-N 449.454 3.642 0 40 IHAB COc1ccc(CNC(=O)CCCN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 113961756 BMSDHOCFNNOZNK-UHFFFAOYSA-N 444.475 3.577 0 40 IHAB COc1ccc(CCCNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1 218801071 ZITNIFJCLVNZRZ-UHFFFAOYSA-N 430.551 3.920 0 40 IHAB CCOc1ccc(CCCNC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)cc1 219705239 HITBIBCAVVWCPJ-UHFFFAOYSA-N 440.565 3.608 0 40 IHAB CC[C@H](NC(=O)[C@@H](C)N(c1ccc(OC)c(OC)c1)S(C)(=O)=O)c1ccc(C)c(C)c1 220242561 GUOXRDGTOUZYPT-XLIONFOSSA-N 448.585 3.743 0 40 IHAB COc1ccccc1CCCNC(=O)[C@H](C)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O 220368270 APTWDWYFPJOUAE-INIZCTEOSA-N 438.977 3.561 0 40 IHAB CN1CCN(c2ccc(NC(=O)/C(=C/c3cccs3)NC(=O)c3ccccc3)cc2)CC1 222627977 BYMZQFBMFUCELF-NKFKGCMQSA-N 446.576 3.910 0 40 IHAB O=C(NCc1nc(-c2ccccc2)no1)/C(=C/c1cccs1)NC(=O)c1ccccc1 223661185 YFEPSPMDVFUSRR-RGEXLXHISA-N 430.489 3.885 0 40 IHAB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1F 223731151 CMPNZPYEKOOWGT-YADHBBJMSA-N 438.528 3.937 0 40 IHAB COc1cccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)c1 223755676 ORXVAKFPMCQPRQ-UHFFFAOYSA-N 432.523 3.605 0 40 IHAB COc1cc(OC)cc(OCC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)(C)C)c1 224076884 DQSZNEKWJRPWKZ-MRXNPFEDSA-N 446.519 3.554 0 40 IHAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccc(F)cc3)cc2C)cc1 224226282 SHVJXIQYCOZFDB-UHFFFAOYSA-N 442.512 3.898 0 40 IHAB CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCCOc1ccc(OC)cc1 224998772 DTVCNBHCPZZFSM-IBGZPJMESA-N 442.556 3.806 0 40 IHAB CCC1(CC)C[C@H](NC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)c2ccccc2O1 225046141 VNHLJVNXKVUQAP-FQEVSTJZSA-N 446.569 3.660 0 40 IHAB O=C(NCc1ccco1)c1cc(C2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)n[nH]1 225560691 LUZMCNYMFJYDHZ-UHFFFAOYSA-N 446.429 3.971 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)N(C)Cc1ccc(C)cc1 225620362 LWWHRQLFOQQTCH-UHFFFAOYSA-N 444.597 3.769 0 40 IHAB CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc2c(c1)OCO2 225691982 IRXLUFMDXKHFDZ-KRWDZBQOSA-N 428.504 3.677 0 40 IHAB C[C@H]1Cc2cc(CN3CCC[C@](Cc4ccccc4-c4cncnc4)(C(N)=O)C3)ccc2O1 253594217 SVTOYUQVPXKJDV-UZTOHYMASA-N 442.563 3.777 0 40 IHAB CCn1nc(C(C)C)cc1C(=O)N1CCC(COc2cccc(Cl)c2)(CC(N)=O)CC1 257217136 CXPYYTLBJYXFOQ-UHFFFAOYSA-N 446.979 3.857 0 40 IHAB C[C@H](C(=O)NCCSCc1ccccc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 409410927 APYYGIKGFFICHX-OAHLLOKOSA-N 426.991 3.544 0 40 IHAB Cc1c(NC(=O)N(Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)c(=O)n(-c2ccccc2)n1C 583432477 VWXPXNYZEFFRDT-PKOBYXMFSA-N 438.553 3.517 0 40 IHAB CN(Cc1ccc(F)cc1)[C@H]1[C@H](NC(=O)OC(C)(C)C)C[C@@H](Oc2ccccc2F)[C@@H]1O 585261660 DZWYLXURXBBOQA-YJMBLLCNSA-N 448.510 3.871 0 40 IHAB COCCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)Nc1ccc2c(c1)OCCCO2 604404340 CKPCHMPNXHWMDV-PZJWPPBQSA-N 431.577 3.983 0 40 IHAB biogenic COC(=O)C[C@@H](c1c(O)cc(C)n(CCc2cnc[nH]2)c1=O)c1cccc2ccccc12 604419626 IPWPQNPNZSRZGP-OAQYLSRUSA-N 431.492 3.676 0 40 IHAB O=C(NCCc1ccccc1)c1ccc2c(c1)Cc1cccc(c1)CNCCOCCO2 643584763 RVOVHHFIBJEHAH-UHFFFAOYSA-N 430.548 3.749 0 40 IHAB COc1ccccc1C1(C(=O)N2C[C@@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@H]3C2)CC1 1888880016 JMOVLKZZWWGGEN-HOTGVXAUSA-N 431.458 3.735 0 40 IHAB COc1ccc(CCNC(=O)N2CC[C@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@H]32)cc1 1889211599 RFLWBJPNPDWPHZ-QFBILLFUSA-N 434.462 3.572 0 40 IHAB C[C@H]1CCCCN1C(=O)CSc1nnc(CNc2cccc(C(F)(F)F)c2)n1C 896882 IOWGNGIMUDORPK-ZDUSSCGKSA-N 427.496 3.939 0 40 IHAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3Cl)cc2)n1 913175 YBZPGEKBAYLBCF-UHFFFAOYSA-N 446.916 3.565 0 40 IHAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 8855984 SSZDZISJNQCJMK-NSHDSACASA-N 447.340 3.658 0 40 IHAB COc1ccc(-c2noc(CNC(=O)C(C)(C)Oc3ccc(Cl)cc3)n2)cc1OC 9095315 AUKVIXVFYHDUPE-UHFFFAOYSA-N 431.876 3.881 0 40 IHAB Cc1ccc(NC(=O)CSc2nnc(-c3ccc4c(c3)OCCO4)n2C)cc1Cl 9096183 KCUNAHNEKQOULZ-UHFFFAOYSA-N 430.917 3.946 0 40 IHAB CC(C)c1ccccc1OCc1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)n1C 9289958 JCQUKPFCTAVNGG-UHFFFAOYSA-N 440.525 3.977 0 40 IHAB COc1cc([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C3=C2C(=O)OC3)cc(OC)c1OC 9451300 HIOVAQNZJIZQIN-HNNXBMFYSA-N 429.856 3.697 0 40 IHAB Cc1cc(C)c(-c2cc(NC(=O)CN3CCC[C@@H](C(N)=O)C3)n(-c3ccccc3)n2)cc1C 9587927 GDOKEAXRYWEWCR-HXUWFJFHSA-N 445.567 3.600 0 40 IHAB Cc1cc(=O)c(C(=O)Nc2ccc3c(c2)OCCCO3)nn1-c1ccccc1C(F)(F)F 9728100 XTBLUHLJVGOKPG-UHFFFAOYSA-N 445.397 3.973 0 40 IHAB Cc1cc(NC(=O)Cc2ccc(-c3ccccc3)cc2)n(-c2nc3c(c(=O)[nH]2)CCC3)n1 9822670 GADHRXAOVDGZCK-UHFFFAOYSA-N 425.492 3.601 0 40 IHAB Cc1ccc(CS(=O)(=O)c2cn(CC(=O)NCc3cccnc3)c3ccccc23)cc1 9829881 PHWLWAJQTSUOKC-UHFFFAOYSA-N 433.533 3.635 0 40 IHAB COc1cc([C@H]2CC(=O)c3c(C)nn(-c4nc5ccccc5[nH]4)c3C2)cc(OC)c1OC 9938873 ZAKFFLXCRUDRHL-CQSZACIVSA-N 432.480 3.996 0 40 IHAB O=C(NCc1ccccc1)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 10009448 QQZINRDBERUDBT-OAQYLSRUSA-N 442.924 3.613 0 40 IHAB CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)N[C@H]1CCCc2ccccc21 10022265 WDDXJGZGZBJLTC-UNMCSNQZSA-N 442.943 3.831 0 40 IHAB CCOc1cccc(NC(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccccc2)c1 10294274 QSKDXJGTGVIMLC-UHFFFAOYSA-N 440.521 3.928 0 40 IHAB COc1ccc(NC(C)=O)cc1S(=O)(=O)N1CCC(CCc2ccc(C)cc2)CC1 10672147 QOIRSZVUNJTASG-UHFFFAOYSA-N 430.570 3.996 0 40 IHAB CCc1c(C)sc2nc(SCC(=O)NC(C)(C)CC)n(C[C@H]3CCCO3)c(=O)c12 11772213 HHYROZULARYDJA-CQSZACIVSA-N 437.631 3.905 0 40 IHAB O=C(COc1ccc2cc(-c3ccc(F)cc3)c(=O)oc2c1)N[C@H](CO)c1ccccc1 12322006 PJPONRZORNRABH-JOCHJYFZSA-N 433.435 3.828 0 40 IHAB Cc1c(Cl)cccc1NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 12653691 VLKREMWVPDTUHB-UHFFFAOYSA-N 431.739 3.670 0 40 IHAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(Cc1nn3c(=O)cc(C)nc3s1)CC2 12809461 OEUDSQOTNYKDSK-HSZRJFAPSA-N 448.548 3.624 0 40 IHAB CCOC(=O)Cc1csc(SCC(=O)Nc2ccccc2C(=O)NC2CCCC2)n1 12848832 QUTGZPRINSRAQH-UHFFFAOYSA-N 447.582 3.652 0 40 IHAB Cc1cc2oc(=O)cc(COC(=O)CCn3cnc4sccc4c3=O)c2cc1Cl 12874504 CWXUIJVEJNVQTI-UHFFFAOYSA-N 430.869 3.660 0 40 IHAB Cc1ccc(C)c(-n2c(S[C@H](C)c3nc(N)nc(N(C)C)n3)nc3ccccc3c2=O)c1 12887816 SDCCPNHYLQGTSM-OAHLLOKOSA-N 447.568 3.689 0 40 IHAB Cc1cc(C)c(NC(=O)CNC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)c(C)c1 12995835 PBFOWQMLBZCKOU-KRWDZBQOSA-N 431.945 3.823 0 40 IHAB C[C@H](NC(=O)CN(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc2c(c1)CCCC2 13011325 AWKDYEOKDJIXMV-ROUUACIJSA-N 428.598 3.839 0 40 IHAB O=C(CCc1ccc2c(c1)OCO2)Nn1cnc2scc(-c3cccs3)c2c1=O 13012503 VTWPDLXQVNGECA-UHFFFAOYSA-N 425.491 3.618 0 40 IHAB COc1ccc(Br)cc1/C=C/C(=O)NCC1(N2CCOCC2)CCCCC1 13138158 LWDSPBXGJWEFES-VMPITWQZSA-N 437.378 3.622 0 40 IHAB Cc1c(NC(=O)COC(=O)c2cc3c(s2)CCCCC3)c(=O)n(-c2ccccc2)n1C 13148310 ZBBZKCFWOGFPSK-UHFFFAOYSA-N 439.537 3.610 0 40 IHAB Cc1c(CCC(=O)NCc2nc(-c3ccc(Cl)cc3)no2)c(=O)oc2cc(O)ccc12 13624512 BFYUZOWZRNTBHX-UHFFFAOYSA-N 439.855 3.759 0 40 IHAB COc1ccc([C@@H]2CCCN2[C@@H](C)C(=O)Nc2sc3c(c2C(N)=O)CCC3)c(OC)c1 14070157 ODSFLUYBWVYFPU-GUYCJALGSA-N 443.569 3.517 0 40 IHAB NC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 14121206 ADPHHFOWEGIKQE-HSZRJFAPSA-N 440.478 3.731 0 40 IHAB COc1ccc(Br)cc1CN(C)C(=O)CSc1ccc2c(c1)OCCO2 14184550 GLJHLTBNOJHBKQ-UHFFFAOYSA-N 438.343 3.980 0 40 IHAB COc1ccccc1OCC(=O)Nc1cc(Cl)ccc1N1CCN(C(=O)C(C)C)CC1 14291179 AKXKRJHSXRWVPL-UHFFFAOYSA-N 445.947 3.671 0 40 IHAB COc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1S(=O)(=O)N1CCCC1 14429781 UXGQBEJYVGOVME-UHFFFAOYSA-N 428.432 3.751 0 40 IHAB CCOc1cccc(CNCCc2ccc(S(N)(=O)=O)cc2)c1OCc1cccs1 15356874 RGBKEDHDSBOGGE-UHFFFAOYSA-N 446.594 3.706 0 40 IHAB O=C(NCc1ccc(F)cc1)[C@@H](c1cccnc1)N(C(=O)c1csnn1)c1ccccc1 15935410 JDJPYHZOZADGOV-OAQYLSRUSA-N 447.495 3.777 0 40 IHAB CN(CCOc1ccccc1F)C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 16112541 BXJPSMIVBZIKRV-UHFFFAOYSA-N 434.514 3.839 0 40 IHAB COCCn1c(SCC(=O)N2CCCc3ccccc32)nc2c([nH]c3ccccc32)c1=O 16942760 UPOBWXLUWDSRFR-UHFFFAOYSA-N 448.548 3.596 0 40 IHAB CCOc1ccc(-c2noc(C3CCN(S(=O)(=O)c4ccccc4)CC3)n2)cc1OC 17315415 OBALGUZWTPNJIG-UHFFFAOYSA-N 443.525 3.712 0 40 IHAB COc1ccc(-c2n[nH]c(=S)n2CCC(=O)NCCCN(C)c2ccccc2)cc1 17827080 IWEOWRBQZMKJJA-UHFFFAOYSA-N 425.558 3.649 0 40 IHAB Cc1ccccc1C1(O)CCN(C[C@H](O)c2ccc3c(c2)CCCN3C(=O)C(C)C)CC1 19236911 GKJSXIBMCATYHL-VWLOTQADSA-N 436.596 3.947 0 40 IHAB C[C@@H](Cc1ccc2c(c1)OCO2)CN1CCC(c2cc(C(F)(F)F)n3ncnc3n2)CC1 19456845 PIGZBUACNUXWSO-AWEZNQCLSA-N 447.461 3.930 0 40 IHAB CCNC(=O)[C@@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)[C@@H](C)n2ccnc2)C1 19528778 NNUAPUPGLBJBQZ-HOYKHHGWSA-N 436.581 3.770 0 40 IHAB COc1cc(CN2CCCC[C@@H]2c2cc(O)nc(-c3cccnc3)n2)cc(OC)c1OC 19549781 HTFCQVKFCOMAEN-LJQANCHMSA-N 436.512 3.997 0 40 IHAB Cc1cc(C)cc(-c2ccc(C[C@@H]3CN(C(=O)c4cnc(C)cn4)CCN(C)C3=O)cc2)c1 19569839 UWBVQYSNMCMMQL-XMMPIXPASA-N 442.563 3.842 0 40 IHAB Cc1cc(C)n(CCCC(=O)N2CCC(Cc3nc(-c4ccsc4)cc(=O)[nH]3)CC2)n1 19573985 SVPQVRYJYRQAHS-UHFFFAOYSA-N 439.585 3.573 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N1CCC(c2cc(-c3cncnc3)cc(C)n2)CC1 19692097 AOJINTVTDLWWFT-UHFFFAOYSA-N 438.553 3.732 0 40 IHAB Cc1nn(C)cc1C(=O)N1CCC([C@@]2(C)CCCCN(CCc3ccccc3)C2=O)CC1 19743939 BWHCGKOMJLSOSJ-AREMUKBSSA-N 436.600 3.842 0 40 IHAB COCCNC(=O)c1cc([C@H]2CCN(C(=O)c3cccc(C)c3OC)C2)nc2ccccc12 19761870 WCCZQNWXNVPUDF-SFHVURJKSA-N 447.535 3.558 0 40 IHAB COC(=O)c1c(NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)sc2c1CCCC2 20108031 SDBUDCIUYVHFNO-UHFFFAOYSA-N 442.946 3.691 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccncc2)c2ccc(Cl)cc2C)cc1 20236336 HURHQVHJLOHDSJ-UHFFFAOYSA-N 443.956 3.864 0 40 IHAB COC(=O)c1ccc(OCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1 21235817 YPGCGZFOLMRBRI-QGZVFWFLSA-N 432.476 3.982 0 40 IHAB O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)NC1CCCC1 22274335 FPKMYVNMONUFFF-UHFFFAOYSA-N 437.359 3.703 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)c1cc(C)c(C)cc1C 22539488 ILKXSSPOTIZXQB-HOTGVXAUSA-N 438.977 3.818 0 40 IHAB O=C1NC(Cc2ccccc2)(Cc2ccccc2)C(=O)N1CN1CCc2ccccc2C1 23381328 MKTUEDNLEZNUFY-UHFFFAOYSA-N 425.532 3.778 0 40 IHAB CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCc1ccc(CN(C)C)cc1 23961902 AXPLXPIJOLYTTF-HXUWFJFHSA-N 434.005 3.570 0 40 IHAB C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(C(=O)COc2ccccc2Cl)CC1 24820505 GDOVKFUOYPLAOH-INIZCTEOSA-N 426.904 3.674 0 40 IHAB CCOC(=O)c1ccc(S(=O)(=O)N[C@H](C)c2ccc(F)cc2F)c(Br)c1 29940072 HGBAYCHLWDHBJE-SNVBAGLBSA-N 448.285 3.944 0 40 IHAB COc1ccc(OC(=O)c2nc(S(=O)(=O)Cc3ccc(C)cc3)ncc2Cl)cc1 32623885 XYPPOCKJLFSJFW-UHFFFAOYSA-N 432.885 3.640 0 40 IHAB O=C(NCCc1ccc(Cl)cc1)c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1 33325389 SIIISKQWSIOFFO-MRXNPFEDSA-N 449.985 3.597 0 40 IHAB O=S(=O)(NCc1nc(-c2ccccc2Cl)no1)c1ccc(Br)cc1 33543749 RFUHMNWFHIHGBM-UHFFFAOYSA-N 428.695 3.631 0 40 IHAB CCN(CC(=O)Nc1cccc(Br)c1)S(=O)(=O)c1ccc(Cl)cc1 34793862 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Cc1nc([C@@H]2CCN(C(=O)c3ccccc3)C2)nc2c1CCC(=O)N2Cc1ccccc1 19738972 TYQWGQCHIWYGME-OAQYLSRUSA-N 426.520 3.894 0 40 IHAB Cc1ccc(CN2C(=O)CCc3c(C)nc(C4CCN(Cc5ccnn5C)CC4)nc32)cc1 19739504 VKOLUSQTFXABNX-UHFFFAOYSA-N 444.583 3.686 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 20009500 YMRROOBQIDMORW-IBGZPJMESA-N 444.940 3.877 0 40 IHAB CCCNS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccc(Cl)cc2)c(Cl)c1 20022913 HFQVMILTOQJSFY-ZDUSSCGKSA-N 445.368 3.938 0 40 IHAB CCOc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cc(Cl)ccc3C)CC2=O)cc1 21094186 HNBOKHNZIJJTJC-HNNXBMFYSA-N 430.888 3.582 0 40 IHAB COc1ccc(CNC(=O)c2ccc3c(O)nc4c(-c5ccc(C)cc5)nnn4c3c2)cc1 21867226 IZBQSPPZAOFNLF-UHFFFAOYSA-N 439.475 3.897 0 40 IHAB CCOc1ccc2nc(NC(=O)c3ccc4c(c3)C[C@H](C)N4S(C)(=O)=O)sc2c1 22024674 DTASMZBAJZKOOD-LBPRGKRZSA-N 431.539 3.658 0 40 IHAB CCCN1CCN(CC(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(=O)OC)CC1 23477228 LPCKJVPGUBXEDW-UHFFFAOYSA-N 435.977 3.821 0 40 IHAB Cc1nc(-c2ccccc2)sc1C(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O 23948339 WLGMREMXIXQFAD-QHCPKHFHSA-N 434.521 3.707 0 40 IHAB C[C@@H](OC(=O)c1cccnc1Oc1ccccc1)C(=O)N1CCN(Cc2ccccc2)CC1 24103936 LYYPSUDUKXAVJW-HXUWFJFHSA-N 445.519 3.764 0 40 IHAB Cc1csc(=O)n1CC(=O)Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1 32907130 CETCSPVTBLMANE-UHFFFAOYSA-N 429.445 3.803 0 40 IHAB Cc1ccc2cc(CN(C[C@H]3CCCO3)C(=O)Nc3cccc(F)c3)c3nnnn3c2c1 35290978 DBVGGVOFAMIFOA-HXUWFJFHSA-N 434.475 3.938 0 40 IHAB COc1cc(C(=O)Nc2c(-c3ccccn3)c(=O)c3ccccc3n2C)cc(OC)c1OC 37868714 YXJYUXXJGPXVML-UHFFFAOYSA-N 445.475 3.879 0 40 IHAB CC1CCN(Cc2ccc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2)CC1 38852689 JRBPQGCMAYRSDB-UHFFFAOYSA-N 435.568 3.605 0 40 IHAB CCN(CC(=O)NCc1ccc(Cl)cc1Cl)S(=O)(=O)c1cc(C)ccc1OC 39985474 CLKHRYVNZRQFLQ-UHFFFAOYSA-N 445.368 3.637 0 40 IHAB O=C(NCc1ccnc(N2CCOCC2)c1)Nc1cccc(NC(=O)c2cccs2)c1 40104496 LNBJGNGVYKLWLC-UHFFFAOYSA-N 437.525 3.554 0 40 IHAB CCOc1ccc(-c2cc(C(=O)N3CCC(NC(=O)c4ccc(C)cc4)CC3)[nH]n2)cc1 49406692 HADFHCMTESGHQT-UHFFFAOYSA-N 432.524 3.818 0 40 IHAB Cc1ccc(NC(=O)CN2CN(c3ccc(F)cc3)c3ncccc3S2(=O)=O)c(C)c1 49411570 XJFMLBQFJXPKFX-UHFFFAOYSA-N 440.500 3.576 0 40 IHAB COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)COc4ccccc4)cc3)CC2)cc1 57317175 HWOQRZHWSAYNPA-UHFFFAOYSA-N 445.519 3.675 0 40 IHAB COCCn1c(SCC(=O)Nc2cc(F)ccc2Cl)nc2ccsc2c1=O 57425875 FVKZLAHHBRDWEN-UHFFFAOYSA-N 427.910 3.628 0 40 IHAB O=C([C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(F)cc1)N1CCN(c2ccccc2)CC1 58150234 PEDMDBCQTVWJKR-OYDLWJJNSA-N 435.543 3.948 0 40 IHAB COc1ccc([C@@H](NCC(=O)Nc2ccccc2C(=O)NC2CC2)c2ccccc2)cc1 58157226 DOORJEGYOPZMNM-VWLOTQADSA-N 429.520 3.905 0 40 IHAB CS(=O)(=O)N1CCN(C(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)CC1 58336830 DMNJOSJOZTZJTQ-UHFFFAOYSA-N 427.762 3.579 0 40 IHAB CCc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)N1CCc2ccccc21 65314732 KMQWCZJSKZMEQA-UHFFFAOYSA-N 449.576 3.640 0 40 IHAB CCOc1ccc(NC(=O)c2nnn(CC(=O)Nc3cccc(Cl)c3C)c2C)cc1 71327013 MKTYMEDXGPYBKW-UHFFFAOYSA-N 427.892 3.838 0 40 IHAB CCCc1noc(-c2ccnc(-n3cnc(C(=O)NCc4ccc(OC(C)C)cc4)c3)c2)n1 71768480 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COc1ccc(N(CCCC(=O)Nc2ccc(C(F)(F)F)cc2)S(C)(=O)=O)cc1 222603432 LKQGQZFBCADANS-UHFFFAOYSA-N 430.448 3.899 0 40 IHAB O=C(NCCCc1ccccc1)[C@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 222618776 DFARLBAACABXQD-FQEVSTJZSA-N 434.989 3.631 0 40 IHAB COc1ccccc1OC[C@H](C)NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 224026391 PMZJSUWQGQYYEX-KRWDZBQOSA-N 440.521 3.693 0 40 IHAB Cc1nccn1-c1ccc(CNC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)cc1 224499704 NPABFHJBXKRSME-KQWNVCNZSA-N 426.476 3.861 0 40 IHAB CC(C)n1c(=O)sc2cc(S(=O)(=O)NCc3cccc(CN4CCCC4)c3)ccc21 224641726 OASJQEJLDHWTSX-UHFFFAOYSA-N 445.610 3.718 0 40 IHAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCCN2CCCCCC2)cc1 225015009 VUAZPPZJUZQXPF-PYCFMQQDSA-N 441.597 3.910 0 40 IHAB CCn1c(=O)sc2cc(NS(=O)(=O)Cc3cccc(Br)c3)ccc21 225122175 AMSQKHOPULSYSG-UHFFFAOYSA-N 427.345 3.787 0 40 IHAB C[C@H]1CCCN(c2cc(N3CCCCCC3)nc(NC(=S)NCc3cccnc3)n2)C1 225940618 IPGYXFYXBDLIPO-SFHVURJKSA-N 439.633 3.975 0 40 IHAB Cc1nc(-c2ccc(S(=O)(=O)NCC3CCN(C4CCSCC4)CC3)cc2)co1 252503069 UXZHLSGVLGSFQR-UHFFFAOYSA-N 435.615 3.536 0 40 IHAB Cc1nc([C@@H]2CCN(Cc3ccc(C(C)C)cc3)C2)nc(C)c1CC(=O)N1CCOCC1 257239906 HRHZBALLCWFRPU-HSZRJFAPSA-N 436.600 3.608 0 40 IHAB O=C(c1ccccc1Cn1ccnc1)N1CC[C@@]2(C1)CN(c1ccc(Cl)cc1)C(=O)O2 257269581 MQNZBVGCFKIIOZ-HSZRJFAPSA-N 436.899 3.826 0 40 IHAB CCN1CCN(C(=O)c2cc(C)c(C)nc2O)[C@H](Cc2ccccc2-c2ccccc2)C1=O 257284043 PBAGETPEYQJETA-XMMPIXPASA-N 443.547 3.987 0 40 IHAB Cc1nc(CC(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(=O)N3CCCCC3)C2)cs1 257330706 XPOUMARHQFGUFP-UGKGYDQZSA-N 441.597 3.693 0 40 IHAB COc1ccc(Br)c(C(=O)N2CC[C@H](c3cccs3)S(=O)(=O)CC2)c1 390829987 HYCSZYWSBXOVIR-MRXNPFEDSA-N 444.372 3.521 0 40 IHAB COc1ccccc1NC(=O)CN(C1CCCCC1)S(=O)(=O)c1cc(C)ccc1OC 408635759 INIDUZOQPUIVQJ-UHFFFAOYSA-N 446.569 3.974 0 40 IHAB Cc1cccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)c5ccccc5C4=O)cc3)CC2=O)c1 408653881 FNEAUOVEHSPMOI-QGZVFWFLSA-N 440.455 3.754 0 40 IHAB CC[C@H](C)NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1 409006166 YBLFOAJLMHLDOT-AWEZNQCLSA-N 431.396 3.687 0 40 IHAB COc1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)ccc1O[C@@H](C)C(=O)O 409010764 LBFGFXHJQKOFKZ-XACIZNRCSA-N 431.441 3.923 0 40 IHAB COC(=O)CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)N(C)C1=S 409202741 RUXPVZHXAJMFGG-ZSOIEALJSA-N 425.293 3.826 0 40 IHAB Cc1nc(-n2cccc2)sc1C(=O)N1CC[C@@H](c2ccccc2Cl)S(=O)(=O)CC1 575616984 LXUZTYDUQUJKAT-KRWDZBQOSA-N 449.985 3.898 0 40 IHAB O=C(NC[C@H]1CCC2(CCN(c3ncccn3)CC2)CO1)c1cccc(C(F)(F)F)c1 585101248 REVPDRPGYDNAEB-GOSISDBHSA-N 434.462 3.691 0 40 IHAB Cc1cc(C)nc(Nc2cc([C@H]3CCN(C(=O)/C=C/c4csc(C)n4)C3)nc(C)n2)n1 585291079 JJKVAGCXXVWPRF-RTRPANQVSA-N 435.557 3.730 0 40 IHAB O=C1Nc2ccccc2[C@H]1C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)CC1 1251489035 LJPPPUJQVVYJFG-NBGIEHNGSA-N 443.547 3.503 0 40 IHAB C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCOc2ccc(F)c(Cl)c2)CC(C)(C)C1 1726689977 WMBKTMREDGLKMO-KSSFIOAISA-N 449.958 3.973 0 40 IHAB CC(C)(C)OC(=O)N1CCC2(CC1)CC(N1CCN(c3ccc(C(=O)O)cc3)CC1)C2 2362803871 XBPGKHRMKRPAIB-UHFFFAOYSA-N 429.561 3.687 0 40 IHAB Cc1ccc(C)c(N(C(=O)c2csnn2)[C@@H](C(=O)NC2CCCC2)c2cccnc2)c1 1357489 LZESCHCBFNZAHT-OAQYLSRUSA-N 435.553 3.997 0 40 IHAB O=C(NCc1ccccc1)[C@@H](c1cccnc1)N(Cc1ccco1)C(=O)c1ccccn1 1376615 MRLVOHQALNZPRT-HSZRJFAPSA-N 426.476 3.770 0 40 IHAB COc1cc(OC)cc(-n2c(N)c(C(=O)NCCC(C)C)c3nc4ccccc4nc32)c1 2393510 RRMQRBOIEYONBW-UHFFFAOYSA-N 433.512 3.949 0 40 IHAB COC(=O)c1sc2nc(CSc3nnc(Nc4ccccc4)s3)[nH]c(=O)c2c1C 2644265 DFTSVAGYJIRJKV-UHFFFAOYSA-N 445.551 3.967 0 40 IHAB O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)Nc1cc(C(F)(F)F)ccc1Cl 3252810 WWHAHMZKMZBKQN-LJQANCHMSA-N 437.805 3.691 0 40 IHAB CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)N1c2ccccc2C[C@@H]1C 3297259 KPBTXPUGCYUTSL-BTYIYWSLSA-N 428.916 3.615 0 40 IHAB COc1cc(C(=O)Nc2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1ccc(F)cc1 3462229 GZRAEBUBOIUEBP-UHFFFAOYSA-N 438.411 3.833 0 40 IHAB Cc1ccc2cc([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CCCCC3)c(=O)[nH]c2c1C 6442358 KIYZCIUUQOEADX-QHCPKHFHSA-N 446.530 3.894 0 40 IHAB CC(C)(C)CC(=O)N[C@H]1C[C@H]2C(=O)Nc3ccc(-c4ccc(F)cc4F)cc3C(=O)N2C1 8297025 BOYVPDNVHDFTHP-YWZLYKJASA-N 441.478 3.719 0 40 IHAB biogenic,in-vitro COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(C(F)(F)F)cc1 8591128 QOZYLRMIRGWGKN-QGZVFWFLSA-N 430.390 3.628 0 40 IHAB COC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(C)c3)C(=O)N2C2CCCC2)cc1 8591539 QMOBGFBACDPEHF-NRFANRHFSA-N 449.507 3.890 0 40 IHAB Cc1ccc2c(CC(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)coc2c1 8735288 MYXCWYNWWNUERS-UHFFFAOYSA-N 426.538 3.775 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCN(Cc2ccccc2)CC1 9062794 DRWJTUZUNWKMCI-UHFFFAOYSA-N 441.597 3.712 0 40 IHAB CSc1ccccc1NC(=O)COC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2 9119679 QMSQJGZOXZHBNH-UHFFFAOYSA-N 430.570 3.613 0 40 IHAB CCOc1ccc(C(=O)N(CC(=O)Nc2cccc(C)c2C)C[C@H]2CCCO2)cc1OC 9125126 CIELGXOTEIXHRO-HXUWFJFHSA-N 440.540 3.971 0 40 IHAB CCCCCOc1ccc(C(=O)CCC(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 9127752 CTYFEZLGGQDKNK-QGZVFWFLSA-N 446.569 3.743 0 40 IHAB O=S(=O)(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc2c(c1)OCCCO2 9222176 MTPGWXDKXWGWJV-UHFFFAOYSA-N 440.525 3.634 0 40 IHAB COc1ccc2[nH]cc(CCNC(=O)CCN3C(=O)S/C(=C\c4ccco4)C3=O)c2c1 9252837 PUHMSKSSBWWGSZ-UNOMPAQXSA-N 439.493 3.555 0 40 IHAB CSc1cccc(N2C[C@H](C(=O)Nc3cc(Cl)ccc3-n3cncn3)CC2=O)c1 9253673 IFRRGJDRNLOCDP-CYBMUJFWSA-N 427.917 3.634 0 40 IHAB COc1ccc(CCN2C[C@@H](C(=O)N3CCC[C@@H]3c3cccs3)CC2=O)cc1OC 9765895 IRPOLNSIBHZEBO-ZWKOTPCHSA-N 428.554 3.520 0 40 IHAB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2cccc(Br)c2)n2nnnc2N1 9942132 UVXPHCYRFZENJK-SFHVURJKSA-N 439.317 3.980 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(F)c(Cl)c3)C2)cc1 9974470 SWIFKRXPCXHFOY-ZDUSSCGKSA-N 426.897 3.527 0 40 IHAB O=C(COc1ccc2ccccc2c1)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1 10283484 OQUSGWHDQVSRGB-UHFFFAOYSA-N 436.489 3.929 0 40 IHAB Cc1ccc(C(C)C)cc1OCC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 11449686 DJIRQAWXACPLCT-UHFFFAOYSA-N 436.599 3.528 0 40 IHAB Cc1nc(-c2ccccc2)sc1C(=O)NCCCn1nc(-c2cccnc2)ccc1=O 11745604 CCJWIIYVIPIIHS-UHFFFAOYSA-N 431.521 3.557 0 40 IHAB COc1ccc(COC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2)cc1OC 12311266 MJAGEVZMGXZAES-IAGOWNOFSA-N 447.553 3.727 0 40 IHAB Cc1sc2nc(CS[C@@H](C)C(=O)NCCCOCc3ccccc3)[nH]c(=O)c2c1C 12790602 ZBKPHHYZYDRDGM-INIZCTEOSA-N 445.610 3.946 0 40 IHAB O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)CCCOc2ccc(F)cc2)CC1 12972217 WJCRKRSGQANSBP-UHFFFAOYSA-N 427.472 3.877 0 40 IHAB C[C@@H](SCc1nc(N)nc(Nc2ccc(Cl)cc2)n1)C(=O)NCCc1ccccc1 13014180 SFICGKFFVFMNRE-CQSZACIVSA-N 442.976 3.831 0 40 IHAB COc1ccc(/C=C2/SC(=O)N(CCC(=O)NCCc3c[nH]c4ccccc34)C2=O)cc1 13572292 FMHGSFHMLCYQNI-KGENOOAVSA-N 449.532 3.962 0 40 IHAB C[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OCc1nc2ccccc2o1 13987383 MDVODDNJUHFJKG-SNVBAGLBSA-N 429.281 3.545 0 40 IHAB CC[C@@H](c1nnc(SCC(=O)c2ccc3c(c2)CC(=O)N3)n1Cc1ccccc1)N(C)C 14164244 GDBOLJOUWPJMFW-FQEVSTJZSA-N 449.580 3.809 0 40 IHAB O=C(CSc1nncn1C1CC1)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 14506165 MIVHGBLYFALXAL-UHFFFAOYSA-N 444.564 3.933 0 40 IHAB CS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc34)C2)cc1 16046906 ODRFHBOHFPOHGW-GOSISDBHSA-N 436.533 3.734 0 40 IHAB NC(=O)[C@H]1CCCN(Cc2cc(Br)cc3c2O[C@H](c2ccccc2)OC3)C1 16694638 KMVNPNULZZJUFA-YCRPNKLZSA-N 431.330 3.754 0 40 IHAB COc1cccc(CN(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)c1 16752810 SSRASTZNNVPGPF-HXUWFJFHSA-N 431.554 3.560 0 40 IHAB CNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCN(C(=O)Cc2ccc(OC)cc2)C1 19591479 NASGXCGOLOLUPQ-MHZLTWQESA-N 443.547 3.507 0 40 IHAB Cc1cccc(C)c1OCC(=O)N1CCO[C@H](c2cc(C(=O)N(C)C)c3ccccc3n2)C1 19762115 ZBSDEGCBWLKSNF-QHCPKHFHSA-N 447.535 3.532 0 40 IHAB CCn1nc(C)c(CN2CCO[C@@H](c3cc(C(=O)NC(C)C)c4ccccc4n3)C2)c1C 19762375 XYGRCBXUMGKXER-XMMPIXPASA-N 435.572 3.780 0 40 IHAB O=C(Nc1ccc(C(F)(F)F)cc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 20100633 LICRWXOSNSCJNF-UHFFFAOYSA-N 426.460 3.886 0 40 IHAB Cc1cc(C)cc(N2C(=O)N(Cc3cccc(C(F)(F)F)c3)[C@H]3CS(=O)(=O)C[C@H]32)c1 20581572 RPAQFZZWAXYVRF-RBUKOAKNSA-N 438.471 3.930 0 40 IHAB CN(CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)CC(=O)Nc1ccc(F)cc1 20686244 PJCIITRZGBXQBV-UHFFFAOYSA-N 429.879 3.926 0 40 IHAB Cc1ccc(N(CC(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)S(C)(=O)=O)c(C)c1 22328488 SNBPZGWFXWBNAB-IBGZPJMESA-N 430.570 3.796 0 40 IHAB CC(C)[C@@H](NC(=O)CN1CCN(Cc2ccsc2)CC1)c1ccc2c(c1)OCCCO2 22804899 FFWIMSXZLXLPRY-XMMPIXPASA-N 443.613 3.541 0 40 IHAB COc1cccc(NC(=O)CN2CCN(Cc3nc(-c4ccc(F)cc4)cs3)CC2)c1 23145348 KHJSPXDQZJTYOH-UHFFFAOYSA-N 440.544 3.714 0 40 IHAB CC(C)CN(C(=O)CSc1nc2cc(Cl)ccc2s1)[C@H]1CCS(=O)(=O)C1 23515572 PESKMSBMBMVMFV-ZDUSSCGKSA-N 433.020 3.714 0 40 IHAB O=C(CCCc1nc2ccccc2c(=O)[nH]1)Nc1nc(-c2ccc3c(c2)OCO3)cs1 23653773 QUHBDAONWICLSL-UHFFFAOYSA-N 434.477 3.737 0 40 IHAB O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 29256255 PBSKUNPXKWZBEJ-UHFFFAOYSA-N 448.523 3.749 0 40 IHAB CCCn1c(CN(C)[C@H]2CCc3ccccc32)nc2cc(S(=O)(=O)N(C)C)ccc21 29486421 WPCLCLPTRQOBLB-NRFANRHFSA-N 426.586 3.816 0 40 IHAB Cc1cc(-c2ccccc2)nc(SCC(=O)NCc2ccccc2CN2CCOCC2)n1 29974778 PYWYRGFGGBJAMT-UHFFFAOYSA-N 448.592 3.693 0 40 IHAB CC(C)Oc1cccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)c1 30940454 KYEMQDTVHPEWSI-OAQYLSRUSA-N 446.569 3.937 0 40 IHAB COC(=O)c1ccc(N2CCCCC2)c(NC(=O)c2ccc(OC)c(OC)c2OC)c1 30952769 CHAHXLMCIXBCAX-UHFFFAOYSA-N 428.485 3.742 0 40 IHAB CCn1c(CC(=O)Nc2ccc(C)cc2)nnc1SCC(=O)Nc1ccccc1F 32579255 PBTASQBMDWJBCF-UHFFFAOYSA-N 427.505 3.658 0 40 IHAB Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(CCCN1CCOCC1)[C@@H]3c1ccccc1 32622230 OSMDPLIJPSJAPL-HSZRJFAPSA-N 432.520 3.677 0 40 IHAB O=C(CS(=O)(=O)c1ccc(Cl)cc1)NC[C@H](c1ccccc1Cl)N1CCCC1 32732088 CNHYQFHJLHDCEG-LJQANCHMSA-N 441.380 3.720 0 40 IHAB CN(CCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)Cc1ccccc1 32841720 FPMQFQGYHQHFAV-NRFANRHFSA-N 427.976 3.831 0 40 IHAB O=C(OCCOc1c(Cl)cccc1Cl)c1ccc(N2CCCS2(=O)=O)cc1 32860337 XAAHOPNOAFYRLH-UHFFFAOYSA-N 430.309 3.769 0 40 IHAB Cc1ccc(C)c(Oc2ccc(CNC(=O)c3cccc(NS(C)(=O)=O)c3)cn2)c1 32930785 NGSZOFCOVHTQDI-UHFFFAOYSA-N 425.510 3.792 0 40 IHAB CC(=O)Oc1ccc2c(c1)C(=O)C[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1C[C@@H](OC(C)=O)[C@@H]2OC(C)=O 35361159 YKXHUDXDHCUGIF-LMVKOHTKSA-N 428.481 3.582 0 40 IHAB COc1ccccc1CNC(=O)[C@@H](C)NC(=O)c1ccc2nc(-n3cccc3)sc2c1 36601965 CCIJGHCVEGHCOJ-OAHLLOKOSA-N 434.521 3.530 0 40 IHAB O=C(c1c[nH]c2ccccc12)[C@H](c1ccccc1)N1CCC[C@H](C(=O)N2CCOCC2)C1 37208883 ULDJZODPCCYPEU-RDPSFJRHSA-N 431.536 3.663 0 40 IHAB CC(C)(C)c1ccc(COC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN23)cc1 39566512 JWKMWVNYWWYCQC-UHFFFAOYSA-N 430.551 3.953 0 40 IHAB CS(=O)(=O)c1ccc(C(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)cc1 48278295 YEJLPAPQXCEJSS-UHFFFAOYSA-N 425.462 3.650 0 40 IHAB Cc1cccc(-n2c(=O)c3sccc3n(Cc3nc(-c4ccccc4C)no3)c2=O)c1 48986936 HALKBCRSOWSKFJ-UHFFFAOYSA-N 430.489 3.929 0 40 IHAB COc1cc(NC(=O)CN2CCC(c3nc(-c4ccc(C)cc4)no3)CC2)cc(OC)c1 49403261 WOYRPMJHHNBTKO-UHFFFAOYSA-N 436.512 3.880 0 40 IHAB Cc1ccc(N2CN(CC(=O)Nc3ccccc3Cl)S(=O)(=O)c3cccnc32)cc1 49411409 FWCOVNXLVKFADW-UHFFFAOYSA-N 442.928 3.782 0 40 IHAB O=C(NCC1CC1)C1CCN(c2nc3c(-c4ccccc4F)csc3c(=O)[nH]2)CC1 49421092 FCEVHEBTDMFTFO-UHFFFAOYSA-N 426.517 3.533 0 40 IHAB COc1ccc(OCc2nc(C)cc(=O)n2CC(=O)Nc2ccc(F)cc2Cl)cc1 51319421 TXYGRPCLPBFQID-UHFFFAOYSA-N 431.851 3.571 0 40 IHAB CCCCn1c(=O)c2sccc2n(CC(=O)Nc2ccc(C(F)(F)F)cc2)c1=O 57427331 PCLRTLBYAQVHCK-UHFFFAOYSA-N 425.432 3.682 0 40 IHAB Cc1ccc(C)c(NC(=O)Cn2c(=O)n(CCc3cccs3)c(=O)c3ccccc32)c1 57473281 MBRIDACIIVMJFW-UHFFFAOYSA-N 433.533 3.723 0 40 IHAB CCCC[C@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(c2cc(Cl)ccc2C)CC1 57670421 OGUBPMJTJBZRDL-VQTJNVASSA-N 433.000 3.867 0 40 IHAB O=C(Nc1ccc(Br)cn1)[C@H]1CCCN(C(=O)C2(c3ccccc3)CC2)C1 58514966 PODVLWYUGJUYGV-HNNXBMFYSA-N 428.330 3.753 0 40 IHAB CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc4c(c3)n(C)c(=O)n4C)ccc21 60266142 LDIOIHGBBYEMMS-UHFFFAOYSA-N 434.521 3.806 0 40 IHAB COc1cc2c(cc1-c1nnc(SCC(=O)Nc3cccc(C)c3)n1C)OCCCO2 64986924 PQVWHUPAVJUXRZ-UHFFFAOYSA-N 440.525 3.691 0 40 IHAB CCOc1ccc(C(=O)OCC(=O)NCc2cccc(Br)c2)cc1OCC 67197654 QYIHJPHCLLPDEL-UHFFFAOYSA-N 436.302 3.720 0 40 IHAB COC(=O)c1ccccc1NC(=O)CN1C(=O)C(c2ccccc2)=NC12CCC(C)CC2 71327866 FSETZAXNPQQXTN-UHFFFAOYSA-N 433.508 3.650 0 40 IHAB CC(=O)Nc1ccc(NC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3CCC(C)C)cc1 71745228 FCLVXHGZDMZYAF-VWLOTQADSA-N 448.523 3.609 0 40 IHAB biogenic O=C(c1cccc(Br)c1)N1CCN(CCn2ccnc2-c2ccccc2)CC1 77158888 AXZITQBGTKPOHA-UHFFFAOYSA-N 439.357 3.771 0 40 IHAB COCc1nc(OC)c2c(C)c(C(=O)N[C@H](CC(C)C)C(=O)OC(C)(C)C)sc2n1 95414321 KHXCWYMFRPISJQ-CYBMUJFWSA-N 437.562 3.641 0 40 IHAB O=C(NC1CCCC1)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CCCC2 102338920 NREUYICLZRUXEU-UHIXZJCNSA-N 428.554 3.761 0 40 IHAB COc1cccc(NC(=O)CSc2nnc(-c3cc(Br)ccc3O)[nH]2)c1 105942414 KRRYFEPYZMYZER-UHFFFAOYSA-N 435.303 3.679 0 40 IHAB CC[C@@H](C(=O)NCCCc1ccc(F)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 219091839 CXJZXIPXJWFFII-IBGZPJMESA-N 426.941 3.773 0 40 IHAB COC(=O)c1cn(C(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)c2ccccc12 222590628 YQYFXFAWFQBFSM-UHFFFAOYSA-N 448.500 3.942 0 40 IHAB COc1ccc(CN(C(=O)Cc2ccccc2)[C@@H](C)C(=O)NCCCOC(C)C)cc1 222990728 WGWGDGRPBIYVTO-FQEVSTJZSA-N 426.557 3.586 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3C)[nH]n2)cc1C(=O)NCC(C)C 223260250 YAGUHIGLFYINAJ-UHFFFAOYSA-N 426.542 3.880 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1Br 223646966 MVYVZSNQGWJRSJ-UHFFFAOYSA-N 441.347 3.787 0 40 IHAB CC[C@@H](C(=O)NCCOc1ccccc1C(C)C)N(c1ccccc1F)S(C)(=O)=O 223802568 IBHYMSITUYRQPF-IBGZPJMESA-N 436.549 3.689 0 40 IHAB CN(Cc1cccnc1)Cc1nc(C2(O)CCN(C(=O)C3CCCCC3)CC2)cs1 225426655 HVQJNSXESRNMLA-UHFFFAOYSA-N 428.602 3.560 0 40 IHAB biogenic,in-vitro COc1ccc(CSCC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)C)cc1 225683008 ZARVRCPHSFHRTF-LJQANCHMSA-N 428.598 3.913 0 40 IHAB CC[C@@H]1CCCCN1CCCNS(=O)(=O)c1ccc2c(c1)sc(=O)n2C(C)C 225716193 UYYAKRQGODBTNI-MRXNPFEDSA-N 425.620 3.577 0 40 IHAB Cc1cc(Nc2nnc(C)s2)cc([C@@H]2CN(C(=O)c3c(C(C)C)noc3C)CCO2)n1 257295406 QYEMSIOOLIOKEY-KRWDZBQOSA-N 442.545 3.927 0 40 IHAB COc1ccc(C)cc1N([C@@H](C)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21)S(C)(=O)=O 260592097 PIHDECRXGLJDTM-WMZOPIPTSA-N 446.569 3.577 0 40 IHAB CC[C@@H](C(=O)N[C@H](C)c1ccc2c(c1)CCCC2)N(c1ccc(OC)cc1)S(C)(=O)=O 260912137 AIYRSZLNYVSKMP-HXOBKFHXSA-N 444.597 3.996 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](C)c3ccccc3)C2)cc1C 408557209 MBZUMFDZSBRBJC-AZUAARDMSA-N 430.570 3.672 0 40 IHAB CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCC(=O)O 409042769 CPBVDZHXVICPDK-GDNBJRDFSA-N 447.310 3.517 0 40 IHAB CCCCNC(=O)CN1C(=O)S/C(=C\c2cc(Br)ccc2OCC)C1=O 409218311 TXSWZIHYKLLHLK-GDNBJRDFSA-N 441.347 3.800 0 40 IHAB Cn1c(CNC(=O)/C=C/c2ccccc2Cl)nnc1SCC(=O)Nc1ccccc1 409341743 BVVKUTYPAOHZKV-VAWYXSNFSA-N 441.944 3.529 0 40 IHAB COc1cc2c(cc1OC)CC(=O)N(CCC(=O)N1CCC(c3ccccc3)CC1)C=C2 524735799 YZNJHGPPMLLGIO-UHFFFAOYSA-N 434.536 3.856 0 40 IHAB COc1cccc(C(=O)N2CCN(C)C(=O)[C@H]2Cc2ccccc2-c2ccccc2)c1OC 585169019 OFIVPNIPWNTALM-HSZRJFAPSA-N 444.531 3.896 0 40 IHAB O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)Nc1cc(F)c(F)c(F)c1 604419420 MWKYPAXRAJGJLV-OAQYLSRUSA-N 437.377 3.857 0 40 IHAB CC(C)C[C@@H]1NC(=O)C2(CCCCOCCCNC1=O)CCN(C1CCCCC1)CC2 643581622 MIHGOEPPZQEARR-QFIPXVFZSA-N 435.653 3.639 0 40 IHAB Cc1noc(-c2ccc(N3CCC[C@@H](C(=O)NCc4ccccc4C(F)(F)F)C3)nc2)n1 888107104 MATOHBYXCRKOQA-QGZVFWFLSA-N 445.445 3.992 0 40 IHAB O=C([C@@H]1CC(c2ccccn2)=NO1)N1CCCC[C@@H]1Cc1cccc(Br)c1 1130113058 FGCCMNIRCJKZFV-XLIONFOSSA-N 428.330 3.961 0 40 IHAB COc1ccc(NC(=O)C2=NO[C@]3(CCCN(C(=O)c4cccc(Cl)c4)C3)C2)cc1 2055830383 PLGONWROURWGPR-JOCHJYFZSA-N 427.888 3.738 0 40 IHAB CCOc1ccc(NC(=S)N(CCN(C)C)Cc2cc3cc(C)ccc3[nH]c2=O)cc1 880583 HPUMTXKGTLWDOF-UHFFFAOYSA-N 438.597 3.996 0 40 IHAB CCOc1ccc(NC(=S)N(CCO)Cc2cc3c(C)cc(C)cc3[nH]c2=O)cc1 907854 MQXHNVXXSRQICV-UHFFFAOYSA-N 425.554 3.735 0 40 IHAB O=C1C[C@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)NC(N2CCc3ccccc3C2)=N1 2225573 OREJGVDHHQEWFE-HSZRJFAPSA-N 440.503 3.720 0 40 IHAB CCOC(=O)[C@@](NC(=O)Nc1ccc(Cl)cn1)(Oc1ccc(F)cc1)C(F)(F)F 2300359 HBOQATYKLUBMPY-MRXNPFEDSA-N 435.761 3.896 0 40 IHAB COc1ccccc1CNC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12 2302260 FIBZMAHQHXUTKL-UHFFFAOYSA-N 427.464 3.747 0 40 IHAB CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)N[C@@H](C)c1ccccc1 2725826 MRLYEZNSKZARHJ-JXFKEZNVSA-N 430.932 3.905 0 40 IHAB CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)Nc1cccc(Br)c1 3365796 GSTUSDNCTNUSDK-UHFFFAOYSA-N 425.304 3.881 0 40 IHAB COc1cc2nc(SCC(=O)NC(C)C)n(CCC3=CCCCC3)c(=O)c2cc1OC 3455298 ATHJIZKTVYDQRA-UHFFFAOYSA-N 445.585 3.921 0 40 IHAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H](O)[C@@H](O)C(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 4276607 HSENALUPARAQJF-CIDBBFQTSA-N 426.594 3.716 0 40 IHAB CCN(CC)CCOc1ccc(S(=O)(=O)c2ccc(OCCN(CC)CC)cc2)cc1 4775303 UNAPDFDZWFWYCH-UHFFFAOYSA-N 448.629 3.961 0 40 IHAB CC[C@H]1CCCCN1C(=O)CSc1nc2ccccc2n1CC(=O)N1CCCCC1 4859179 WPKYWGRHICZCTN-SFHVURJKSA-N 428.602 3.932 0 40 IHAB COC(=O)[C@@H]1[C@H](OC(=O)C(Cl)(c2ccccc2)c2ccccc2)C[C@@H]2CC[C@H]1N2C 5941837 CBJOUDDJDVEZLS-BQJUDKOJSA-N 427.928 3.737 0 40 IHAB Cc1cccc(N2C[C@@H](C(=O)Nc3nnc(SCc4ccccn4)s3)CC2=O)c1 8824637 BROFFDIVXYBIDV-AWEZNQCLSA-N 425.539 3.525 0 40 IHAB CCCS(=O)(=O)c1ncc(Cl)c(C(=O)N(Cc2ccccc2)c2ccccn2)n1 8846149 RQQVKDJZGVKGBE-UHFFFAOYSA-N 430.917 3.556 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC1=NN=C(c2cc3ccccc3o2)CS1 9121369 XXLVUDAOFPVFSB-UHFFFAOYSA-N 428.539 3.911 0 40 IHAB CCCCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nc2ccccc2c1=O 9390415 LSIQTIMZLDDYEC-UHFFFAOYSA-N 425.510 3.699 0 40 IHAB C[C@@H]1CCC[C@H](NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccncc2)[C@@H]1C 9464368 PKJNQZKOIJLFOI-HLIPFELVSA-N 436.581 3.873 0 40 IHAB CCN(CC)C(=O)CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccccc1OC 9518302 KKXOPLCWWCAXEI-UHFFFAOYSA-N 436.537 3.836 0 40 IHAB CSCC[C@H](NC(=O)CCS(=O)(=O)c1ccc(C)cc1)c1nc2ccccc2[nH]1 9613460 SRFTVEFXCVTWJH-IBGZPJMESA-N 431.583 3.646 0 40 IHAB NC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(F)cc2)cc1 9632126 MUTDNUWDDWTQMM-UHFFFAOYSA-N 447.495 3.903 0 40 IHAB COc1ccc(C(=O)Nc2ccc(-n3c(C)nc4ncccc4c3=O)cc2C)cc1OC 9660487 HOHRBGHZPZUEEP-UHFFFAOYSA-N 430.464 3.667 0 40 IHAB CCn1nnc2cc(C(=O)Nc3nc(-c4ccc(CNC(C)=O)s4)cs3)ccc21 9670199 MZMKLYCFPMOQGR-UHFFFAOYSA-N 426.527 3.525 0 40 IHAB O=C1CCCCCN1Cc1nnc(SCc2cn3ccccc3n2)n1-c1ccccn1 9701592 SDFQFXPRHKCNHS-UHFFFAOYSA-N 433.541 3.505 0 40 IHAB CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)N[C@H]1CCCc2ccccc21 10022269 WDDXJGZGZBJLTC-RBBKRZOGSA-N 442.943 3.831 0 40 IHAB CC[C@H](C)n1c(C)c(C)n2c3c(=O)n(Cc4c(F)cccc4Cl)c(=O)n(C)c3nc12 10104256 URBUMZODBNYYHD-NSHDSACASA-N 431.899 3.578 0 40 IHAB CCOc1ccc(NC(=O)CSc2nc(=O)n(Cc3ccco3)c3c2CCCC3)cc1 10186716 MUWRAWMLHTYFDH-UHFFFAOYSA-N 439.537 3.893 0 40 IHAB O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)N1CC[C@@]2(O)CCCC[C@@H]2C1 11867064 GLMODHLCNVGQDF-BCHFMIIMSA-N 433.504 3.992 0 40 IHAB biogenic COc1ccc([C@H]2c3sc(=O)[nH]c3S[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]32)cc1 11990847 OHNHTPFJJGKPLR-NUJGCVRESA-N 438.530 3.549 0 40 IHAB COc1ccc2[nH]c(=O)c(CN(CCN3CCCC3)C(=O)Nc3ccc(F)cc3)cc2c1 12707847 DNXMMFWIJAWTHO-UHFFFAOYSA-N 438.503 3.806 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSCCc1ccccc1 12754384 ZFDHKMIYGJBBQA-UHFFFAOYSA-N 448.610 3.784 0 40 IHAB Cc1cccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@@H]2CCS(=O)(=O)C2)c1C 12776613 OOFBCKBTEOBVSW-QGZVFWFLSA-N 438.553 3.846 0 40 IHAB C[C@H]1Cc2cc(C(=O)N[C@H](C)c3ccccc3Br)ccc2N1S(C)(=O)=O 12994729 GGTGZSUIPWMTHU-QWHCGFSZSA-N 437.359 3.651 0 40 IHAB Cc1ccc(-c2nnc(CCC(=O)N3CCN(Cc4nc5ccccc5s4)CC3)o2)cc1 13128080 PQXYYIXUCDZRFV-UHFFFAOYSA-N 447.564 3.932 0 40 IHAB COc1ccccc1[C@@H]1OCC(C)(C)n2c(-c3ccccc3)c3c(=O)n(C)c(=O)n(C)c3c21 13574688 RZSXSEIXFVIEHE-QHCPKHFHSA-N 445.519 3.569 0 40 IHAB O=C(CCCCCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O)NCc1ccccc1Cl 13576386 QVVIHDWITSOWJY-NRFANRHFSA-N 439.943 3.906 0 40 IHAB Cc1ccc(C)c(C(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)cc2)c1 13616096 QEORKYWQHKDERW-WKZKVMAPSA-N 429.472 3.655 0 40 IHAB Cc1cc(C)c2cc(CN(Cc3ccco3)C(=S)NC[C@@H]3CCCO3)c(=O)[nH]c2c1 13658182 JUWVFMBLRZYEBS-SFHVURJKSA-N 425.554 3.794 0 40 IHAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cccc(F)c3)cc2)cc1OC 14154350 AVEATMLUPDNHOG-UHFFFAOYSA-N 444.484 3.920 0 40 IHAB O=C(NCCC(=O)N1CCN(Cc2cccc3ccccc23)CC1)c1ccccc1Cl 14228611 OUGIUDPQNZRBRW-UHFFFAOYSA-N 435.955 3.958 0 40 IHAB CC(C)CC(=O)Nc1cccc(C(=O)OCc2cc(=O)n3nc(CC(C)C)sc3n2)c1 15771806 VQAQIEFQFXBREK-UHFFFAOYSA-N 442.541 3.691 0 40 IHAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(Cl)cc2C)cc1Cl 16692682 NSSOSCXEFIJUNA-UHFFFAOYSA-N 431.341 3.960 0 40 IHAB CCOC(=O)c1oc2ccccc2c1COC(=O)CCS(=O)(=O)c1ccccc1F 16699387 XHSPFALSZRLIND-UHFFFAOYSA-N 434.441 3.656 0 40 IHAB COc1cccc(-c2nn(CC(=O)Nc3ccc4c(c3)OCO4)c(=S)n2-n2cccc2)c1 16778087 OEVQRGGQEGRZSG-UHFFFAOYSA-N 449.492 3.570 0 40 IHAB Cc1ccc(Cl)cc1N1CCN(c2ccc(S(=O)(=O)c3ccccc3)nn2)CC1 16847059 LVXXVIIVRHWJQD-UHFFFAOYSA-N 428.945 3.598 0 40 IHAB CC(=O)Nc1ccc([C@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1 18153592 RDKFKJJETCYGCY-HJOGWXRNSA-N 441.487 3.692 0 40 IHAB CC(=O)Nc1ccc(CN2CCC[C@@H](c3cc(N)n4nc(-c5ccco5)cc4n3)C2)cc1 19022472 UGVVEDXELAFJMC-GOSISDBHSA-N 430.512 3.910 0 40 IHAB C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC(c2nc(O)cc(-c3nccs3)n2)CC1 19078046 XGIOAQUUOCLEHE-CYBMUJFWSA-N 428.489 3.618 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@H]2c2cc3nc(C)cc(C(F)(F)F)n3n2)cc1 19116952 DCCOXPMMVDZKLU-INIZCTEOSA-N 440.447 3.591 0 40 IHAB COc1cccc(CC(=O)N[C@@H](Cc2cc(O)n3nc(C)cc3n2)c2ccc(F)cc2)c1 19129855 ADVHQUSNJJLCFD-NRFANRHFSA-N 434.471 3.534 0 40 IHAB Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N3CCc4ccccc4C3)cc2c1 19220765 UZTPYCDVGUESIK-QFIPXVFZSA-N 428.540 3.726 0 40 IHAB COc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@@H](O)c3c[nH]c4cc(OC)ccc34)CC1)O2 19562180 AXJSHCAYUXIJLL-XZOQPEGZSA-N 438.524 3.569 0 40 IHAB COc1ccccc1NC(=O)c1cc([C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)no1 19571341 WSNUDWNJIPVBGI-INIZCTEOSA-N 441.509 3.504 0 40 IHAB CSCC[C@@H](NC(=O)c1ccc2c(c1)CCCC2)c1cc(=O)[nH]c(-c2ccccn2)n1 19573907 QEBDQWXUAFIHPG-LJQANCHMSA-N 434.565 3.935 0 40 IHAB CN(C)C(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CN(C(=O)C2CCCCC2)CCO1 19580593 JOCQHWXIGZYFOF-SANMLTNESA-N 435.568 3.557 0 40 IHAB Cc1nc(C2CCN(C(=O)c3ccnn3C)CC2)nc2c1CCCN2Cc1ccc(F)cc1 19705679 NEJWQNZJPZGSTE-UHFFFAOYSA-N 448.546 3.630 0 40 IHAB COc1ccc(CCC(=O)N2CCC[C@H](c3ccc(C(=O)N4CCCC4)cn3)C2)cc1C 19705902 QFCQYPDCWYFRKC-QFIPXVFZSA-N 435.568 3.973 0 40 IHAB Cc1nc(C)c(C(=O)N2CCC(c3ccc(C(=O)Nc4ccc(F)cc4)c(N)n3)CC2)o1 19765915 JORKGVPDIJVIII-UHFFFAOYSA-N 437.475 3.680 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(F)ccc3F)C2)cc1C 20017378 OAXZULZTQPPOEF-HNNXBMFYSA-N 438.496 3.711 0 40 IHAB O=C(NCCCc1ccc(F)cc1)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 20107142 QRFVMSJCXZWTFP-QFIPXVFZSA-N 446.588 3.549 0 40 IHAB CC[C@H](C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 20110913 XHKBJCLZITYQER-FXAWDEMLSA-N 448.585 3.743 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)SC2=NC(=O)C[C@@H](c3ccccc3)N2)cc1 20168847 QAEALQDTQHUJFN-KDOFPFPSSA-N 425.510 3.541 0 40 IHAB Cc1ccc(NC(=O)c2ccc3c(c2)OCCCO3)cc1S(=O)(=O)N1CCCCCC1 22395523 QMIBQRWDMFINTD-UHFFFAOYSA-N 444.553 3.973 0 40 IHAB Oc1c([C@@H](c2ccc(F)cc2)N2CCN(c3ccccc3F)CC2)sc2ncnn12 22609736 QUYLHFQXSQEENZ-GOSISDBHSA-N 427.480 3.686 0 40 IHAB O=C(CN1CCN(Cc2cccc3ccccc23)CC1)Nc1ccc2c(c1)OCCCO2 22792616 LIEKWPUPJRRIOD-UHFFFAOYSA-N 431.536 3.757 0 40 IHAB O=C(COc1ccc(Cl)cc1)N(CCN1CCOCC1)c1nc2ccc(F)cc2s1 22998527 MMYNAOYRXIHCDP-UHFFFAOYSA-N 449.935 3.833 0 40 IHAB CC(C)Cn1c(=O)c2ccccc2n(Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)c1=O 23126750 ICTAVMZMNCVHFE-UHFFFAOYSA-N 444.413 3.936 0 40 IHAB O=C(CSc1nc2ccccc2s1)NC[C@H](c1ccc(F)cc1)N1CCOCC1 23156390 MFFMVQMIUHZYBO-GOSISDBHSA-N 431.558 3.717 0 40 IHAB CC(C)c1ccc(-c2csc(NC(=O)C3CCN(c4ccc5nnnn5n4)CC3)n2)cc1 24831793 MQXVQMTVYCNFPB-UHFFFAOYSA-N 448.556 3.621 0 40 IHAB CC(C)[C@@H](CNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)N1CCOCC1 24969811 AVVZJLQLJPAMGJ-HSZRJFAPSA-N 436.531 3.765 0 40 IHAB C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1 29361162 VJZAPPJDFSNJQF-JOCHJYFZSA-N 433.596 3.754 0 40 IHAB Cc1ccc(NC(=O)CN(C)CC(=O)N2N=C(c3ccco3)C[C@H]2c2cccs2)cc1 30541310 CYRSEACCMOKZGK-IBGZPJMESA-N 436.537 3.898 0 40 IHAB CC[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 30852940 LWYVPTYKYAPTJL-IBGZPJMESA-N 449.960 3.650 0 40 IHAB Cc1ccc(OCC(=O)Nc2ccc(I)cc2C)c(-n2cnnc2)c1 32646651 UWBNPPQSKUYAPO-UHFFFAOYSA-N 448.264 3.506 0 40 IHAB Cc1cccc(N(Cc2ccccc2)C(=O)CN(C)Cc2nc3ccccc3c(=O)[nH]2)c1 36442661 WYGUBVNJQQOMJJ-UHFFFAOYSA-N 426.520 3.897 0 40 IHAB CSCC[C@H](NC(=O)c1cc2ccccc2o1)C(=O)Nc1ccc2c(c1)OCCO2 36569495 BFPWSFSFFBTRNW-INIZCTEOSA-N 426.494 3.694 0 40 IHAB CN(Cc1ccc(C(=O)NC2CC2)cc1)S(=O)(=O)c1ccc(Cl)c2ncccc12 40152946 IODCCNZVJJABKW-UHFFFAOYSA-N 429.929 3.601 0 40 IHAB Cc1nnc2ccc(S(=O)(=O)N(Cc3cccc(F)c3)c3cc(F)cc(F)c3)cn12 49408602 LSJVBHOHTTYLNB-UHFFFAOYSA-N 432.427 3.851 0 40 IHAB Cn1ccnc1[C@@H](NC(=O)/C=C/c1ccc(I)o1)c1ccccc1 71862949 CJLQJTGTZQDTGQ-VMSUTVGLSA-N 433.249 3.537 0 40 IHAB Cc1cccc(Nc2cncc([C@@H]3CCCN3S(=O)(=O)c3ccc(C)c(F)c3)n2)n1 72376328 MGFOGZOUSVYFFU-IBGZPJMESA-N 427.505 3.897 0 40 IHAB CCNC(=O)[C@]1(Cc2cccc(-c3cccc(F)c3)c2)CCCN(C(=O)[C@H]2CCCO2)C1 72391566 GGUXXDCBQZXALD-BVAGGSTKSA-N 438.543 3.959 0 40 IHAB COc1cc(CN2CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)cc2c1OCO2 72398608 ZSDHGEOVOSZXSC-GCJKJVERSA-N 439.556 3.935 0 40 IHAB CC(C)n1cc(CC(=O)Nc2ccc3c(c2)C(=O)N2CCC[C@H]2C(=O)N3)c2ccccc21 96116496 VNQNPIJVFADVOQ-QFIPXVFZSA-N 430.508 3.960 0 40 IHAB biogenic CCOc1cccc([C@@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2C(=O)C(C)C)c1 97105736 MFQHIBYRIUUNKK-NRFANRHFSA-N 429.542 3.791 0 40 IHAB COc1ccc(N2C(=O)C[C@H](N(Cc3ccco3)C(=O)c3ccc(Cl)cc3)C2=O)cc1 100894637 XHIUGZYYOUMTJI-FQEVSTJZSA-N 438.867 3.916 0 40 IHAB COc1ccc(NC(=O)c2ccc(N[C@H]3CC(=O)N(Cc4ccccc4)C3=O)cc2)cc1 102305351 UVXHPCKZVZJHHT-QFIPXVFZSA-N 429.476 3.687 0 40 IHAB CC(=O)NC12C[C@@H]3C[C@@H](C1)CC(C(=O)OCC(=O)Nc1c(C)cc(C)cc1Cl)(C3)C2 103000793 JXFIUUQWBQEKDA-TWVWUCKLSA-N 432.948 3.914 0 40 IHAB O=C1C[C@H]2Sc3ccc(Cl)cc3N=C2N1CCN1CCN(c2ccccc2)CC1 103466592 UETVAGQRHIDKPG-HXUWFJFHSA-N 426.973 3.899 0 40 IHAB Cc1cc(N2CCCCC2)nc(CNS(=O)(=O)c2ccc(-c3csc(C)n3)s2)n1 206721629 ZXAMJSNGAOPNLA-UHFFFAOYSA-N 449.627 3.747 0 40 IHAB COc1ccc(CCNc2ccc(S(=O)(=O)Nc3ccccc3)cc2C(=O)O)cc1 217638319 DLTILWYVNAPIBW-UHFFFAOYSA-N 426.494 3.849 0 40 IHAB CCCSc1nnc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)s1 222573019 WKFBAORNTVONAZ-UHFFFAOYSA-N 448.595 3.874 0 40 IHAB CC[C@H](NS(=O)(=O)c1cc(C(C)C)c(OC)cc1C)c1ccc(S(C)(=O)=O)cc1 222955820 QTOBICXNRYRLKC-IBGZPJMESA-N 439.599 3.960 0 40 IHAB CCSc1nnc(NC(=O)CCCN(c2cc(Cl)ccc2C)S(C)(=O)=O)s1 223126372 KKFRCRBMQHSKDO-UHFFFAOYSA-N 449.023 3.797 0 40 IHAB Cc1cc(C)cc(OCCNC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)c1 224065743 SVNUQGBFNHITSE-UHFFFAOYSA-N 445.368 3.571 0 40 IHAB COc1ccc(S(=O)(=O)N(C)c2cc(C(=O)NCc3ccc(F)cc3)ccc2C)cc1 224326694 STCVFDDDBVFAIY-UHFFFAOYSA-N 442.512 3.898 0 40 IHAB CC[C@@H](NS(=O)(=O)c1ccc2cc(OC)ccc2c1)c1ccc(S(C)(=O)=O)cc1 225471241 NJHJNYJCFKHNBL-OAQYLSRUSA-N 433.551 3.682 0 40 IHAB CCc1ccc([C@@H](C)NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)cc1 225768238 WCUXAFWVIBFSJC-ZHRRBRCNSA-N 444.597 3.951 0 40 IHAB COc1ccc(CN(C)C(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)cc1 225847631 WKWRVFSMNBKHBT-UHFFFAOYSA-N 436.533 3.719 0 40 IHAB Cc1ccc(Cl)c(OC[C@]2(O)CCCN(CC(=O)NC(C)(C)Cc3ccccc3)C2)c1 257265590 LZHRBAHYPNIZIO-VWLOTQADSA-N 445.003 3.992 0 40 IHAB CN1C(=O)CCC[C@]12CN(CC(=O)N1CCCc3ccccc31)C[C@H]2c1ccc(F)cc1 257307369 SYIFXZDVYLNHOO-BKMJKUGQSA-N 435.543 3.585 0 40 IHAB Cc1nc(CN2CC[C@@]3(CN(Cc4ccoc4)C[C@H]3c3cn(C(C)C)cn3)C2=O)cs1 306124985 CDUQUZQRBVISDK-REWPJTCUSA-N 439.585 3.840 0 40 IHAB COc1cc(C)c(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)cc1OC 408548278 FQOKVIMQUMTUED-ODLFYWEKSA-N 426.494 3.996 0 40 IHAB CCOc1ccc(S(=O)(=O)NCc2ccccc2OC)cc1NC(=O)c1ccccc1 408560859 QKNQFKKTVUDNAR-UHFFFAOYSA-N 440.521 3.825 0 40 IHAB COc1cc(NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)c(OC)cc1Cl 408603111 FGSSIXIATZYTFB-UHFFFAOYSA-N 447.340 3.724 0 40 IHAB COc1ccc(Cl)cc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2C)C1 408672448 ZDXRLBSYCARBBG-HNNXBMFYSA-N 430.888 3.500 0 40 IHAB COc1ccc(OC(=O)c2ccc(N3C(=O)c4nc5ccccc5nc4C3=O)cc2)cc1 408976913 SVWDYHQWEOTUHJ-UHFFFAOYSA-N 425.400 3.658 0 40 IHAB COC(=O)c1cccc(-c2ccc(/C=C3/SC(=O)N([C@@H](C)C(=O)OC)C3=O)o2)c1C 409088436 LWJGEFGUSGUURO-VAKHEIKFSA-N 429.450 3.639 0 40 IHAB Cc1ccc(S(=O)(=O)Oc2c(Br)cc(CO)cc2Br)cc1 409120203 YPZKTLWJOVHCIJ-UHFFFAOYSA-N 436.121 3.780 0 40 IHAB CCCOc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(F)c(Cl)c3)CC2=O)cc1 409169566 QWKKXFJXUWSWGN-CQSZACIVSA-N 448.878 3.803 0 40 IHAB Cn1c(CNC(=O)c2ccccc2)nnc1SCC(=O)Nc1cccc2ccccc12 409172317 CGIIGZIXUMGBGT-UHFFFAOYSA-N 431.521 3.629 0 40 IHAB Cc1nc(CC(=O)N2CCC[C@]3(CCCCCOc4ccccc4C(=O)NC3)C2)cs1 643559341 HEBRWGOAUXRJDR-DEOSSOPVSA-N 441.597 3.986 0 40 IHAB C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)C(=O)NCC2 644605365 IAXSLRGFVZHSOM-CZAAIQMYSA-N 431.536 3.695 0 40 IHAB C[C@H]1CCc2[nH]nc(C(=O)NC3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)c2C1 1616756307 DKTWNAGZDVYCHC-ZDUSSCGKSA-N 434.462 3.588 0 40 IHAB O=C(Nc1cccc2ncccc12)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 8749056 NLELDJXGWXERSR-OAHLLOKOSA-N 445.928 3.598 0 40 IHAB COc1ccc2[nH]c(=O)c(CN(C(=S)NC[C@@H]3CCCO3)C3CCCCC3)cc2c1 879981 KEEOTNLKJDZJRO-FQEVSTJZSA-N 429.586 3.725 0 40 IHAB CCOC(=O)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)n1-c1ccccc1 886526 DDZNHRKTBNQKFB-UHFFFAOYSA-N 429.498 3.615 0 40 IHAB Cc1ccc(CNC(=O)N2CCN(CCCc3nc(-c4ccc(C)cc4)no3)CC2)cc1 32937707 IHWZIBDHZDLHDR-UHFFFAOYSA-N 433.556 3.813 0 40 IHAB Cc1nc(-c2cc(C)n(CCC(=O)N(C)Cc3nc4ccccc4c(=O)[nH]3)c2C)cs1 32906387 HQVPCWADBYCUKZ-UHFFFAOYSA-N 435.553 3.822 0 40 IHAB COc1ccc(CCNC(=O)N[C@]2(C(F)(F)F)Oc3ccc(Cl)cc3O2)cc1OC 1098139 LBUUNLRWNNQSGS-LJQANCHMSA-N 446.809 3.886 0 40 IHAB O=C(NCc1cccc(Cn2cncn2)c1)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 103271077 GCRNTRBXKYCFAH-IGBVOLGGSA-N 429.362 3.677 0 40 IHAB COc1cc(OC)c(C(=O)OCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1OC 4870401 PIHJQYIEBDQNLU-ZJRYTYELSA-N 431.529 3.590 0 40 IHAB COc1ccc(N(CCCC(=O)Nc2c(F)cccc2F)S(C)(=O)=O)cc1Cl 10338291 XIOUPFBZCFXRSC-UHFFFAOYSA-N 432.876 3.812 0 40 IHAB CCc1ccc(-c2noc(CN3CCN(CC(=O)Nc4ccccc4Cl)CC3)n2)cc1 22914639 LAOGBMMQGHSJGP-UHFFFAOYSA-N 439.947 3.709 0 40 IHAB COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)O[C@H](C)C(C)(C)C)cc(Br)c1O 844387 BAOKMQXGGXJCFB-BMIGLBTASA-N 441.322 3.769 0 40 IHAB CCOC(=O)c1cccc(NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)c1C 10442794 AQOGRWDPWIPZBH-UHFFFAOYSA-N 438.933 3.538 0 40 IHAB COC[C@@H](C)n1c(SCC(=O)Nc2ccnn2C2CCCC2)nc2ccccc2c1=O 23632334 IRUKTOOMLJAITO-OAHLLOKOSA-N 441.557 3.646 0 40 IHAB CCc1cccc(C)c1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(C)ccc2OC)C1 9974736 FPNKRXZENKLCTQ-IBGZPJMESA-N 430.570 3.914 0 40 IHAB COC(=O)c1ccc2c(c1)CCN2C(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 25180588 OWKBHWTXFJKMHQ-UHFFFAOYSA-N 426.900 3.568 0 40 IHAB COc1ccc(C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1S(=O)(=O)N1CCCC1 22537820 WEKYZBCGPGCIFE-SFHVURJKSA-N 430.570 3.896 0 40 IHAB COc1cc(OC)cc([C@H](NC(=O)c2ccc(Br)cc2F)c2nccn2C)c1 12627559 FOMYNWIDEMAVLS-SFHVURJKSA-N 448.292 3.858 0 40 IHAB Cc1nn(-c2nc3ccccc3[nH]2)c(O)c1[C@@H]1CC(=O)N(c2ccc(C(C)C)cc2)C1=O 100069057 VHQPFTGGFRZGKL-KRWDZBQOSA-N 429.480 3.933 0 40 IHAB CC[C@@]1(C)c2sc(=O)[nH]c2S[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]21 101261865 ZAKUGGPVOJYUBM-CZIZLABSSA-N 428.457 3.787 0 40 IHAB Cc1ccn2cc(CNC(=O)[C@H](c3ccc(Br)cc3)N3CCCC3)nc2c1 84250798 XBKPVVBKVRNFSG-FQEVSTJZSA-N 427.346 3.859 0 40 IHAB Cc1nn2c(=O)cc(CSc3nc4ccc(NC(=O)C(C)C)cc4s3)nc2s1 20983327 GQCJHCJYCUHKAW-UHFFFAOYSA-N 431.568 3.956 0 40 IHAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CSc1nc(C)cc(C)n1 28015184 IWXLQVPHHJUEMR-UHFFFAOYSA-N 426.464 3.692 0 40 IHAB Cc1ccc2c(COC(=O)C[C@@H](NC(N)=O)c3ccc(Cl)cc3)cc(=O)oc2c1C 20921586 JIGDQRTXEHYKOQ-GOSISDBHSA-N 428.872 3.906 0 40 IHAB Cc1ccc(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)cc1S(=O)(=O)N(C)C 11431896 HINAQWPXIRTSQT-UHFFFAOYSA-N 449.479 3.750 0 40 IHAB CCCNC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 27395335 CDZNDCTYVFVHIZ-UHFFFAOYSA-N 437.521 3.880 0 40 IHAB COc1cccc(C(=O)Nc2nc3ccc(S(=O)(=O)N4CCCCC4)cc3s2)c1 8790500 KOFOWMIBACIJHV-UHFFFAOYSA-N 431.539 3.732 0 40 IHAB C[C@@H](CCc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 12915838 KRMPZSDWRDNVPH-INIZCTEOSA-N 436.524 3.503 0 40 IHAB Cc1n[nH]c(C)c1NC(=O)CSc1nnc(COc2ccccc2Cl)n1C1CC1 9508782 YHVLNOWOWCGVDA-UHFFFAOYSA-N 432.937 3.916 0 40 IHAB O=C(NCCCN1CCCCC1)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl 20454725 ABLRVUINBJDBKK-UHFFFAOYSA-N 435.977 3.747 0 40 IHAB COc1ccc(-c2cc(=O)oc3c4c(ccc23)OCN(CCCN2CCCC2=O)C4)cc1 13608248 CWTCPCRCWDATIB-UHFFFAOYSA-N 434.492 3.633 0 40 IHAB biogenic Cc1ccc2c(=O)cc(C(=O)N(Cc3cccc(Cl)c3)[C@H]3CCS(=O)(=O)C3)oc2c1 8915163 QGTPFTJWWKEUHU-KRWDZBQOSA-N 445.924 3.584 0 40 IHAB COc1ccc([C@@H](O)c2cc(OC)c(OC)cc2NS(=O)(=O)c2ccc(C)cc2)cc1 6101794 MPQVPRSTYDTCGH-HSZRJFAPSA-N 443.521 3.903 0 40 IHAB COCCNC(=O)c1nc(-c2ccc(Br)cc2)n(-c2cc(C)ccc2C)n1 408692882 XOHKVNSLPWGMFZ-UHFFFAOYSA-N 429.318 3.690 0 40 IHAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)OCC(=O)NCCc1ccc(Cl)cc1Cl 9169892 PTXLFZOZPNIKKS-INIZCTEOSA-N 445.343 3.595 0 40 IHAB O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)NCc1ccc(F)cc1 22428332 YEFKXIDFQHUWIV-UHFFFAOYSA-N 432.904 3.991 0 40 IHAB Cc1c(C(=O)N2CCN(CCc3ccccn3)CC2)oc2ccc(Br)cc12 15669928 XWAQUZWCPMBWGH-UHFFFAOYSA-N 428.330 3.899 0 40 IHAB CCn1c(Cc2ccccc2)nnc1SCC(=O)N1c2ccccc2NC(=O)C1(C)C 16097363 KSMPADFWLMTKPI-UHFFFAOYSA-N 435.553 3.745 0 40 IHAB COc1ccc(OC)c(NC(=O)c2ccc(C(=O)Nc3cc(OC)ccc3OC)nc2)c1 17101301 JZQHXELAOJQVGC-UHFFFAOYSA-N 437.452 3.621 0 40 IHAB O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1cccc(N2CCCC2=O)c1 9869809 PRXDAZJGADKQSQ-UHFFFAOYSA-N 441.553 3.630 0 40 IHAB Cc1cc(C)c(NC(=O)CNC(=O)COC(=O)/C=C/c2ccc(C(F)(F)F)cc2)c(C)c1 9883974 IKMVBTPFFOHVOK-RMKNXTFCSA-N 448.441 3.942 0 40 IHAB CC(C)[C@@H](NCC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(F)cc1 9836620 XIARZUCAZPFYCP-HSZRJFAPSA-N 447.576 3.926 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C(C)(C)C)C(F)(F)F)CC2)cc1C 72298250 UJBMOAWVTMDOGG-GOSISDBHSA-N 434.524 3.797 0 40 IHAB COc1cc([C@@H]2CC(=O)N=C3N=CNN32)c(Br)cc1OCc1ccc(C)cc1 409369525 CLDNFBXONOOTPW-INIZCTEOSA-N 443.301 3.521 0 40 IHAB CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCC(=O)Nc1cc(C)cc(C)c1 409059320 MJSLEPDLSWNKCE-UHFFFAOYSA-N 437.569 3.884 0 40 IHAB CCCCCNC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1 409388013 JXFLEKCYNZTAGU-UHFFFAOYSA-N 426.941 3.976 0 40 IHAB O=C(CSc1nc(-c2ccccc2)n[nH]1)Nc1ccccc1I 36800172 WIGOKDPYGSWROS-UHFFFAOYSA-N 436.278 3.807 0 40 IHAB C[C@@H]1Oc2c(cccc2C(=O)N[C@H](Cc2ccc(O)cc2)c2nc3ccccc3[nH]2)NC1=O 520571312 MVVFLWFQBJSOHT-LHSJRXKWSA-N 442.475 3.702 0 40 IHAB CCn1c(SCC(=O)Nc2ccccc2)nnc1[C@@H](C)NC(=O)c1ccccc1F 34847188 IUGGXDFCPRWSMX-CQSZACIVSA-N 427.505 3.659 0 40 IHAB Cc1n[nH]cc1C(=O)N1CC[C@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1 72371441 OCPDPRGJZYPSTG-AWEZNQCLSA-N 433.434 3.711 0 40 IHAB CCN1CCN(C(=O)Cc2cccc(OC)c2)[C@H](Cc2ccccc2-c2ccncc2)C1=O 72351337 REXUOGIUQJRUAM-RUZDIDTESA-N 443.547 3.602 0 40 IHAB CCc1ccc(-c2noc(CN3CCN(CC(=O)Nc4cccc(C)c4C)CC3)n2)cc1 32739756 CQZJESAPVUTOJN-UHFFFAOYSA-N 433.556 3.672 0 40 IHAB COc1ccc(C(=O)C2CCN(S(=O)(=O)c3cccc(OC(F)(F)F)c3)CC2)cc1 48324793 FZOZLRBUPKROQY-UHFFFAOYSA-N 443.443 3.877 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1ccc(CN2CCCC2)cc1 44850315 CMCNXCSPRGPFEE-UHFFFAOYSA-N 436.537 3.731 0 40 IHAB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1c(C)[nH]c(C)c1I 222771498 BLQYADSGQIHPOM-HUUCEWRRSA-N 426.327 3.624 0 40 IHAB CN(c1ccccc1C(=O)Oc1ccc(C(=O)c2ccc(F)cc2)cc1)S(C)(=O)=O 40040335 ITROEXCWTOUSSQ-UHFFFAOYSA-N 427.453 3.672 0 40 IHAB CC(C)c1ccccc1OCCNC(=O)[C@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O 223765610 SCJGMDGYOLYEEC-INIZCTEOSA-N 438.977 3.813 0 40 IHAB COc1ccc(N([C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1OC 220236428 XQCXYZCZGBDFOB-LLVKDONJSA-N 447.340 3.804 0 40 IHAB CCC(=O)N1CCc2cc(S(=O)(=O)NCCCc3ccc(OC(C)C)cc3)ccc21 225503711 HQRKJBNTNFBMRL-UHFFFAOYSA-N 430.570 3.684 0 40 IHAB CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCC2)c1)c1ccc(OC)c(C)c1 225590530 WSCCGKOVQLOAAP-FQEVSTJZSA-N 430.570 3.978 0 40 IHAB COC(=O)c1cn(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c2ccccc12 222573181 QURQYNWBHYLODW-UHFFFAOYSA-N 448.500 3.964 0 40 IHAB COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CCC(=O)Nc1cccnc1 199430568 FJTYKCYSSPIPDQ-UHFFFAOYSA-N 448.479 3.709 0 40 IHAB CCOC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)OC)ccc2Cl)cc1Cl 223842496 ROJYGAOLKQCMLU-UHFFFAOYSA-N 432.281 3.758 0 40 IHAB COc1ccc(OC)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3Cl)CC2)c1 231425957 JCARTLHAISHISP-UHFFFAOYSA-N 431.341 3.522 0 40 IHAB Cc1nn(C)cc1-c1cc(C(=O)N2CCC[C@H](c3ncc(Cc4ccccc4)o3)C2)on1 257323974 WMQFHNJETPLDKW-SFHVURJKSA-N 431.496 3.982 0 40 IHAB COc1ccc(CCC(=O)N2CCN(C)C(=O)[C@H]2Cc2cccc(-c3cccnc3)c2)cc1 257331658 XTSMCJHBRJTJNE-RUZDIDTESA-N 443.547 3.602 0 40 IHAB C[C@@H](Sc1nc(CC(=O)NC(C)(C)c2cccc(C(F)(F)F)c2)cs1)C(N)=O 1273161140 DEJJZVWACMFYCB-SNVBAGLBSA-N 431.505 3.722 0 40 IHAB O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@H]2[C@H]2c3ccccc3C=NN12 137772247 DUBAAHJGMOUHKK-ODAXIHTASA-N 439.446 3.587 0 40 IHAB CCCCN(C(=O)CNC(=O)c1cccs1)[C@@H](C(=O)NC(C)(C)C)c1ccccc1 5000511 OGLBGRHOTLXCFZ-HXUWFJFHSA-N 429.586 3.763 0 40 IHAB COCCOc1cccc(CN2CCC[C@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)c1 12182145 LVYZGHCRMQQGJJ-YTQUADARSA-N 439.482 3.503 0 40 IHAB O=C(CCCOc1ccccc1F)N1CCC(c2nc(O)cc(-c3ccccn3)n2)CC1 12256515 CXHRSSRVRMCVEO-UHFFFAOYSA-N 436.487 3.949 0 40 IHAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)Sc1nnc([C@@H]2COc3ccccc3O2)n1C 12982592 LRCCTNVDOZQGFJ-MDOVXXIYSA-N 436.537 3.786 0 40 IHAB COc1cc(Cl)c(C)cc1NC(=O)COC(=O)C12C[C@@H]3C[C@@H](CC(NC(C)=O)(C3)C1)C2 13098813 GDQZGLUOWMGXAV-IWENEADUSA-N 448.947 3.614 0 40 IHAB O=C(c1c(F)cccc1Cl)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 13108230 XECMMUSXBZCJHO-UHFFFAOYSA-N 447.297 3.641 0 40 IHAB CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(Br)c(Cl)c2)ccc1OC 13678373 CHQNUMSSCJKPAN-UHFFFAOYSA-N 447.738 3.662 0 40 IHAB O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccc(F)c(Cl)c1 16429007 CNRLUGNQBRKWFY-UHFFFAOYSA-N 426.897 3.671 0 40 IHAB O=C(CSc1ccc2ccccc2n1)NCC(=O)Nc1ccccc1Br 18186496 LQXHIYSQCCIPQM-UHFFFAOYSA-N 430.327 3.844 0 40 IHAB COc1ccc(CN2CC[C@H]3[C@@H](C2)[C@H](c2cccc(C)c2)CN3C(C)=O)c(OC)c1OC 19235214 XHBMZGPLLDTCGB-VABKMULXSA-N 438.568 3.857 0 40 IHAB COc1cc(OC)c(C2=NO[C@@H](C(=O)N3CCCCC[C@H]3c3ccn(C)n3)C2)cc1Cl 19291013 DPGJXYJAMDVHSP-GHTZIAJQSA-N 446.935 3.728 0 40 IHAB CO[C@H]1CCC[C@H](C(=O)NC2CCN(c3ncc(-c4ccncc4)c(C(C)C)n3)CC2)C1 19451587 JOQXFSZBTWCUII-FPOVZHCZSA-N 437.588 3.952 0 40 IHAB CNC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)c2cnn(C(C)C)c2)C1 19454841 ZCYLXRJPKJHXEW-AREMUKBSSA-N 430.552 3.952 0 40 IHAB COc1ccc(-c2cc3nc([C@H](C)NC(=O)[C@@H](C)Oc4cccc(F)c4)nn3cn2)cc1 19574349 XSQWAQGZUZRCDL-LSDHHAIUSA-N 435.459 3.584 0 40 IHAB CNc1cc([C@H]2CC(=O)N(Cc3ccccc3)C2)nc(CN(C)CCc2ccccc2)n1 19700954 HDOUTHWIFJNDBM-QFIPXVFZSA-N 429.568 3.709 0 40 IHAB O=C(COc1ccc(Cl)cc1Cl)NC1CCN(c2ncnc3c2CCCC3)CC1 238922492 UEQZEDUASYYCCL-UHFFFAOYSA-N 435.355 3.826 0 40 IHAB COc1cccc(-c2cnc(NC[C@H]3COc4ccccc4O3)nc2-c2nccn2C)c1 19291640 QEQKRNBKBGWCIP-SFHVURJKSA-N 429.480 3.805 0 40 IHAB O=C(CSc1nc2c(c(=O)n1-c1ccccc1)SCC2)Nc1ccc(F)cc1F 2459454 OXTJJOFHRMSDGN-UHFFFAOYSA-N 431.489 3.890 0 40 IHAB Cc1ccc2c(c1)NC(=O)c1cc(NS(=O)(=O)c3ccc4c(c3)OCCO4)ccc1O2 8961290 YRSWXUYMHQRLMI-UHFFFAOYSA-N 438.461 3.925 0 40 IHAB COc1ccccc1CCNC(=O)CSc1ccc(-c2ccc(-n3ccnc3)cc2)nn1 9712910 AJXUXJWTEHYVEU-UHFFFAOYSA-N 445.548 3.789 0 40 IHAB O=C([C@@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1)N1CCN(c2ccccc2F)CC1 22480832 ORZMFQJLTGRLCO-OAQYLSRUSA-N 445.542 3.848 0 40 IHAB COc1ccc(NC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)c(OC)c1 15390804 CNQDAIAZSJPVHV-KRWDZBQOSA-N 432.542 3.584 0 40 IHAB C[C@H]1CCN(C(=O)CN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)c2ccccc2S1 32859537 CDPIBTPOIFRGLP-BXKMTCNYSA-N 437.565 3.847 0 40 IHAB Cc1cc(SCC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)nc2ccccc12 20056335 MRBVLPFDPDJSOM-INIZCTEOSA-N 446.619 3.913 0 40 IHAB O=C(Nc1ccc(OCc2cccs2)cc1)c1ccc(S(=O)(=O)N2CCCC2)o1 40106862 WMHPEPMMTYDWKT-UHFFFAOYSA-N 432.523 3.957 0 40 IHAB O=C(c1cncc(Br)c1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 21532851 MAXGJPXLTYKPEP-UHFFFAOYSA-N 429.240 3.610 0 40 IHAB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1)c1ccc(Br)cc1 832734 WRDCQBKFOHCVNQ-CYBMUJFWSA-N 436.689 3.882 0 40 IHAB O=C(NCc1ccco1)c1cnn2c(C(F)(F)F)cc(-c3ccc4c(c3)OCO4)nc12 862910 SBIIEOGQEYROOC-UHFFFAOYSA-N 430.342 3.667 0 40 IHAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(OC(C)C)cc3)cc2)n1 888849 DGFPPYFATOINMZ-UHFFFAOYSA-N 426.498 3.625 0 40 IHAB CC(=O)O[C@H](C(=O)Nc1nc(-c2ccc3c(c2)CCN3C(C)=O)cs1)c1ccccc1 1365677 XOSSFVDNBVABOO-NRFANRHFSA-N 435.505 3.962 0 40 IHAB CCCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(C)cc(=O)oc2c1 2148081 PLHOCGMSICYSQF-FQEVSTJZSA-N 443.521 3.853 0 40 IHAB biogenic COc1cc2c(cc1OC)-c1cc(Nc3cccc(Br)c3)nc(=O)n1CC2 2223376 AOIIXQQUYRCPFW-UHFFFAOYSA-N 428.286 3.990 0 40 IHAB CCc1ccc(NC(=O)CN2C(=O)N[C@](Cc3ccccc3)(c3ccccc3)C2=O)cc1 2645291 JPRHCIXTRIAVSY-AREMUKBSSA-N 427.504 3.878 0 40 IHAB COc1cc(NC(=O)c2c(Cl)cnn2C)cc(S(=O)(=O)c2ccc(Cl)cc2)c1 2807122 IHPJACAABGYDSD-UHFFFAOYSA-N 440.308 3.821 0 40 IHAB Cc1ccc(-n2nc3c(c2NC(=O)c2c(F)cccc2Cl)CS(=O)(=O)C3)c(C)c1 3009689 GJMYWCMCRJGGRA-UHFFFAOYSA-N 433.892 3.962 0 40 IHAB COc1ccc(C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)c(OC)c1OC 3279619 RSLCSSXCMKCYDE-UHFFFAOYSA-N 448.781 3.575 0 40 IHAB Cc1c(-c2ccccc2)oc2c(C(=O)OCC(=O)N3C[C@@H](C)O[C@H](C)C3)cccc2c1=O 3359097 GFLQKRWRAKSXNR-HZPDHXFCSA-N 435.476 3.561 0 40 IHAB Cc1cc(C(=O)CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)c(C)n1CCc1ccccc1 3385884 QTWRSMVIIGDAKW-UHFFFAOYSA-N 443.503 3.521 0 40 IHAB O=C(NCc1nc2ccccc2s1)c1nn(Cc2ccccc2)c(=O)c2ccccc12 3437973 SKXJYTCPVIYMOD-UHFFFAOYSA-N 426.501 3.985 0 40 IHAB CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)Nc1ccc2c(c1)OCO2 3461962 PKUDZVXOOMHDJX-UHFFFAOYSA-N 444.443 3.863 0 40 IHAB CC(C)(C)c1ccc(OCC(=O)N(CCc2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1 4749900 LHNIVPDNQDEMJW-OAQYLSRUSA-N 429.582 3.621 0 40 IHAB COc1cc2ccccc2cc1C(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O 8747622 GTKAYEHZYDTRQI-JAIQZWGSSA-N 433.489 3.710 0 40 IHAB O=C(c1ccccc1Br)N(Cc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 9215849 KECUPNPBRBAMBF-OAHLLOKOSA-N 442.762 3.932 0 40 IHAB COc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2ccc(C)c(Cl)c2)cc1 9236698 WWTMXZWPJKGCPG-QZTJIDSGSA-N 429.933 3.955 0 40 IHAB Cc1cc(C(=O)CSc2nnc([C@@H](C)Oc3ccc(F)cc3)o2)c(C)n1-c1nnc[nH]1 9336611 LHAUFGSJKXTGHW-CYBMUJFWSA-N 442.476 3.849 0 40 IHAB O=C([C@H]1CN(C(=O)CSc2ccc3ccccc3c2)c2ccccc2O1)N1CCOCC1 9666786 YFPJHKFSQJQVJQ-HSZRJFAPSA-N 448.544 3.585 0 40 IHAB O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)Nc1ccccc1N1CCOCC1 9716522 VQDJYAZPSWYCFY-UHFFFAOYSA-N 446.532 3.600 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3ccc(-c4ccc(F)cc4)o3)CC2)cc1 9783029 CXERAOOVMQWNMP-UHFFFAOYSA-N 442.512 3.931 0 40 IHAB CC1(C)Cc2cccc(OCC(=O)Nc3cccc(S(=O)(=O)N4CCCCC4)c3)c2O1 9819538 ZTFNYBPVZMHDQH-UHFFFAOYSA-N 444.553 3.592 0 40 IHAB Cc1ccc(C)c(-n2cnnc2SCC(=O)Nc2cc(Cl)ccc2-n2cncn2)c1 9865239 PCGCWMWWOJPSCR-UHFFFAOYSA-N 439.932 3.849 0 40 IHAB CCn1c(SCc2c(C(=O)OC)sc(N)c2C(=O)OC)nnc1-c1cccc(C)c1 9883620 QDTQZUUPIHWCDU-UHFFFAOYSA-N 446.554 3.783 0 40 IHAB Cc1c(C(=O)OCc2cc(Cl)cc3c2OCOC3)sc2nc3n(c(=O)c12)CCC3 9959988 IFFXJWAQMGTWIJ-UHFFFAOYSA-N 432.885 3.590 0 40 IHAB CCc1cccc(CC)c1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1 9974122 PALHPFXPNODWGT-LJQANCHMSA-N 430.570 3.859 0 40 IHAB CCOC(=O)c1c(-c2cccs2)csc1NC(=O)COC(=O)c1ccc(O)cc1O 9983721 CATUMCZAMITYQI-UHFFFAOYSA-N 447.490 3.860 0 40 IHAB O=C(COC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)c1ccc(Cl)cc1 10790797 RHRCPOBWSMUWEX-UHFFFAOYSA-N 443.908 3.858 0 40 IHAB Cn1c(=O)c2c(-c3cccc(Br)c3)c(NCc3ccccc3)oc2n(C)c1=O 11615597 ZQGNFLGAULZATC-UHFFFAOYSA-N 440.297 3.872 0 40 IHAB CCCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc21 12180612 MRABRAUYQAJAOF-UHFFFAOYSA-N 446.953 3.772 0 40 IHAB COc1cc(CN2C(=S)NC3(CCCCC3)[C@@H]3CCCC[C@]32O)cc(OC)c1OC 12322851 ICHRZXLXOHGBFZ-CVDCTZTESA-N 434.602 3.984 0 40 IHAB Cc1nnc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccncc2)s1 12644626 BQONGAMZTIYIPC-UHFFFAOYSA-N 427.493 3.954 0 40 IHAB COc1cc(CN(C)C(=O)c2cnc3ccccn3c2=O)ccc1OCc1ccccc1 12998953 ANAAXUILQJEKSJ-UHFFFAOYSA-N 429.476 3.554 0 40 IHAB CCOC(=O)c1[nH]c(CN2CCN(c3cccc(Cl)c3)CC2)c(C(=O)OCC)c1C 13056251 GFCFTPIEIBPVSM-UHFFFAOYSA-N 433.936 3.652 0 40 IHAB COc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3cccc4ccccc34)C2=O)cc1Cl 13100983 WCRIJVLOYUORRD-HSZRJFAPSA-N 437.883 3.908 0 40 IHAB Cc1ccc(C(C)C)c(OCC(=O)OCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)c1 13129104 DEKZNMDUTQUONC-UHFFFAOYSA-N 442.556 3.835 0 40 IHAB Cc1c(-c2ccc(Cl)cc2)c(=O)oc2c3c(ccc12)OCN([C@H]1CCS(=O)(=O)C1)C3 13692334 JPUIZXQKDRTTFJ-INIZCTEOSA-N 445.924 3.761 0 40 IHAB biogenic CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(F)cc3)cc2Cl)CC1 14271649 DKVRSQRVTZWFPI-UHFFFAOYSA-N 448.951 3.665 0 40 IHAB COc1ccc(OCc2nnc(SCC(=O)c3ccc(Cl)c(Cl)c3)n2N)cc1 14406483 JGCZSILXVNKVFR-UHFFFAOYSA-N 439.324 3.861 0 40 IHAB Cc1ccc(NC(=O)CN(C)CC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1 14920991 ZZGHTIVUZGZSCM-UHFFFAOYSA-N 430.480 3.906 0 40 IHAB CC(C)(CC(=O)O)CC(=O)N1Cc2nc[nH]c2C[C@H]1c1nc(-c2ccc(Cl)cc2)no1 15675858 CRPMGQLAEIMTPJ-INIZCTEOSA-N 443.891 3.630 0 40 IHAB biogenic,in-vitro O=C(c1csc(-c2ccc(Cl)cc2)n1)N1CCN(S(=O)(=O)c2ccccc2)CC1 15719801 OJYRRDGGZMGWLF-UHFFFAOYSA-N 447.969 3.610 0 40 IHAB CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2ccccc2F)o1 15999061 GNLHLFDVWOHLNE-SWLSCSKDSA-N 427.498 3.795 0 40 IHAB COc1cc(CNCc2ccc(F)cc2)ccc1OCc1ccc2c(c1)n(C)c(=O)n2C 16363969 ORMULBRIZSRIFS-UHFFFAOYSA-N 435.499 3.894 0 40 IHAB O=c1nc2s/c(=C\c3ccc(-c4cccc(Cl)c4)o3)c(=O)n2nc1-c1ccccc1 16732842 ATTCHYLYEJALJR-PDGQHHTCSA-N 433.876 3.639 0 40 IHAB COc1ccccc1CNC(=O)Cn1c(C)cc(C)c(-c2nc(-c3ccccc3)no2)c1=O 16840340 LPUNXJBEQOWOMJ-UHFFFAOYSA-N 444.491 3.507 0 40 IHAB O=C(NCCc1csc(-c2ccc(Cl)cc2)n1)C(=O)Nc1ccc2c(c1)OCCO2 17156804 DMDDZZIORSAFFW-UHFFFAOYSA-N 443.912 3.532 0 40 IHAB NC(=O)C1CCN(c2ccc3cccc(OCC(=O)Nc4cccc(Cl)c4)c3n2)CC1 17170648 SMIVTLQMUHMAJH-UHFFFAOYSA-N 438.915 3.607 0 40 IHAB COc1cc(CNC(=O)[C@H]2CN(C(C)=O)c3ccccc3O2)ccc1OCc1ccccc1 18161066 ODMBDMORWHXTDO-RUZDIDTESA-N 446.503 3.705 0 40 IHAB COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)[C@H](C)N1CCN(C2CCCCC2)CC1 19372535 GCBHFBYAXBDXFB-HNNXBMFYSA-N 446.979 3.885 0 40 IHAB CC(C)S(=O)(=O)N1CCC(c2cc3nc(C(C)(C)C)cc(C(F)(F)F)n3n2)CC1 19451016 IMZRXEPLIXBZHV-UHFFFAOYSA-N 432.512 3.963 0 40 IHAB CCNC(=O)[C@]1(Cc2ccc(-c3ccccc3OC)cc2)CCN(C(=O)c2c[nH]nc2C)C1 19528967 VBDKGQSRRWYKMZ-SANMLTNESA-N 446.551 3.605 0 40 IHAB COc1ccccc1CC(=O)N1CCCC[C@H]1c1nc(N(C)C)ncc1-c1ccncc1 19585244 OJRWXNOGTISRGX-NRFANRHFSA-N 431.540 3.910 0 40 IHAB CNC(=O)c1sc2ncccc2c1[C@H]1CCN(C(=O)CCc2ccc(N(C)C)cc2)C1 19702443 RFXMTIZCRSARCV-KRWDZBQOSA-N 436.581 3.671 0 40 IHAB COc1ccc(CCCNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 22279213 NIIFVGYSPFXQFH-UHFFFAOYSA-N 438.549 3.640 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(F)cc2)c2ccccc2F)cc1 22431493 NTNYTTKRNYFHBB-UHFFFAOYSA-N 430.476 3.785 0 40 IHAB O=C(CN1CCN(C/C=C/c2ccccc2)CC1)N1CCS[C@@H]1c1ccccc1F 22816951 VOJYXUPXYLGMTR-CCWPHWCFSA-N 425.573 3.731 0 40 IHAB CCc1nc2sc([C@H](c3ccccc3)N3CCN(Cc4ccccc4)CC3)c(O)n2n1 22854687 WSHGICQRJHTJQN-NRFANRHFSA-N 433.581 3.966 0 40 IHAB CC(C)n1ncc2c(C(=O)N3CCN(C[C@@H]4CCCO4)CC3)cc(-c3ccccc3)nc21 23934849 GQVBLQDVWGGAAQ-FQEVSTJZSA-N 433.556 3.616 0 40 IHAB COc1cc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3C)CC2)ccc1Cl 24611504 LXUNQLHCAOMRJC-UHFFFAOYSA-N 436.961 3.838 0 40 IHAB Cc1ccc(-n2c(-c3ccccc3)cnc2SCC(=O)N2CCC[C@@H](C(N)=O)C2)c(C)c1 27667179 IXAGQYANRMIASY-HXUWFJFHSA-N 448.592 3.972 0 40 IHAB O=C(NCCOc1ccccc1F)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 29979737 SFRIIQMDFZGJRR-UHFFFAOYSA-N 425.909 3.761 0 40 IHAB COc1ccc(-c2nnc(SCCC(=O)Nc3ccc(N4CCOCC4)cc3)o2)cc1 32869411 BXRNRTBOITYVLK-UHFFFAOYSA-N 440.525 3.703 0 40 IHAB CCn1c(SCC(=O)Nc2ccccc2F)nc2c3cc(OC)ccc3n(C)c2c1=O 33287522 RLFUNUFUMATNBT-UHFFFAOYSA-N 440.500 3.787 0 40 IHAB COc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)c1OC 33826920 XEQUATBLFKOWMN-LZYBPNLTSA-N 434.420 3.657 0 40 IHAB COc1ccc(CNC(=O)c2nnn(-c3ccc(C)c(C)c3)c2-c2ccncc2)cc1OC 38486432 UWBBIYNZDNRXCT-UHFFFAOYSA-N 443.507 3.893 0 40 IHAB O=C(COCc1ccccc1Cl)Nc1c(C(=O)N2CCOCC2)oc2ccccc12 40141584 SRSMAWZZALNRCE-UHFFFAOYSA-N 428.872 3.714 0 40 IHAB Cc1ccc(-c2ccc(=O)n(CCC(=O)N3CCN(c4cccc(C)c4C)CC3)n2)cc1 41252825 WJGCVAWLEICIDS-UHFFFAOYSA-N 430.552 3.574 0 40 IHAB CCS(=O)(=O)N(CC(=O)N[C@H](CC(C)C)c1ccccc1)c1ccc2c(c1)OCCO2 44884368 ZPRPYCZFWYZZFE-HXUWFJFHSA-N 446.569 3.518 0 40 IHAB Cc1cc(NC(=O)NCc2ccoc2)ccc1NC(=O)c1cccc(S(C)(=O)=O)c1 48340236 SBISJFCMCNMEID-UHFFFAOYSA-N 427.482 3.566 0 40 IHAB COc1ccc(-c2cc3nn(CC(=O)Nc4cccc(C(C)C)c4)c(=O)n3c(C)n2)cc1 49407173 PFROMBHYXACALX-UHFFFAOYSA-N 431.496 3.637 0 40 IHAB CC(C)c1ccc(N2C(=O)CN(CCc3ccc(Cl)cc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 55408759 STIBFMCYJADAHC-FCHUYYIVSA-N 447.000 3.520 0 40 IHAB Cc1cccc(N2CCN(CC(=O)Nc3ccccc3C(=O)NC3CCCC3)CC2)c1C 57350623 PFLMDJVZENNFTA-UHFFFAOYSA-N 434.584 3.737 0 40 IHAB CCN(C(=O)Cn1c(=O)n(-c2cccc(Cl)c2)c(=O)c2sccc21)c1ccccc1 57491388 BEZNXSVXQWZOTJ-UHFFFAOYSA-N 439.924 3.920 0 40 IHAB CSCC[C@H](NC(=O)Cc1c(C)nn(-c2ccccc2)c1C)c1nnc2ccccn12 69419483 BSSRSVKINJDXLO-FQEVSTJZSA-N 434.569 3.685 0 40 IHAB O=C(CSc1nc2ccccc2s1)NCCn1cnc(-c2ccc(F)cc2)cc1=O 70637542 XLDWANCPFZWHLV-UHFFFAOYSA-N 440.525 3.568 0 40 IHAB CCOc1cc(CNC(=O)c2cc(=O)[nH]c3ccc(Br)cc23)ccc1OC 71328478 IZXUWIPFKXQXGG-UHFFFAOYSA-N 431.286 3.628 0 40 IHAB CC(C)(C)OC(=O)NCCCC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 72216386 HJJRCFJMZFDRRB-UHFFFAOYSA-N 448.564 3.626 0 40 IHAB O=C(O)c1cc2c(c(S(=O)(=O)Nc3cc(Cl)c(Cl)c(C(=O)O)c3)c1)CCC2 72312994 WTKMVXKAYKEGLO-UHFFFAOYSA-N 430.265 3.679 0 40 IHAB COc1ccc(OC)c(S(=O)(=O)N[C@H]2CCC[C@H](OC(=O)Nc3ccccc3)C2)c1 77200268 ODQAOTQSADTZOX-WMZOPIPTSA-N 434.514 3.542 0 40 IHAB COCCN(CCOC)c1ccc(C)cc1C(=O)N1C[C@@H](C)O[C@H](c2ccccc2)C1 78822327 UJLIRIJNXPWUOV-YKSBVNFPSA-N 426.557 3.696 0 40 IHAB Cc1cc(C(=O)NC2(c3cccc(Br)c3)CCOCC2)c2c(C)nn(C)c2n1 84083164 DPKSZTBKNVMUHN-UHFFFAOYSA-N 443.345 3.783 0 40 IHAB CCN(CC)CCOc1ccccc1CNC(=O)c1cccc(-c2nnc(COC)o2)c1 95464136 XIMQFCKKLWBTQV-UHFFFAOYSA-N 438.528 3.534 0 40 IHAB COc1ccc(CN2C[C@]3(CO[C@@H](C(=O)N(C)Cc4ccccn4)C3)c3ccccc32)cc1 96144534 TTZUQLBEECLONC-XNMGPUDCSA-N 443.547 3.796 0 40 IHAB CCc1ccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)C(=O)c2ccccc2)cc1 100396426 NSUNHNZFLSVMNS-NLCRGRMESA-N 426.516 3.906 0 40 IHAB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccc(F)cc1 100398485 KMLFMRFINBLGFQ-IRXDYDNUSA-N 440.858 3.670 0 40 IHAB COc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4OC)C(=O)[C@H]3ON2c2ccccc2)cc1 100536432 ARZHICNHPZMVIN-VJBWXMMDSA-N 430.460 3.755 0 40 IHAB NC(=O)COc1ccccc1/C=C1/SC(=O)N(Cc2ccccc2Br)C1=O 215057496 VUGWGICICGGYME-CXUHLZMHSA-N 447.310 3.550 0 40 IHAB CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1OC)c1ccc(OC)cc1 216421538 MQWJRZUPKYQNKC-OAQYLSRUSA-N 446.569 3.760 0 40 IHAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2Cc2ccccn2)N1Cc1cccnc1 223473742 FAVFWLZEAYSFJS-PKTZIBPZSA-N 426.549 3.894 0 40 IHAB Cc1cccc(N([C@@H](C)C(=O)NCCOc2ccccc2C(C)(C)C)S(C)(=O)=O)c1 223722760 SVYLLIXUOOAFSU-SFHVURJKSA-N 432.586 3.642 0 40 IHAB Cc1cccc(-c2noc(CNC(=O)c3cccc(S(=O)(=O)Nc4ccccc4)c3)n2)c1 223931000 XEUXMRLADVVWSI-UHFFFAOYSA-N 448.504 3.776 0 40 IHAB CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(C(=O)NCCc2ccc(F)cc2)cc1 224062476 YNUHSTQJARWZLK-UHFFFAOYSA-N 444.503 3.904 0 40 IHAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2ccc(-n3ccnc3)cc2)cc1 225694549 UCQMJYMBSUSJCL-HAHDFKILSA-N 426.476 3.861 0 40 IHAB COc1ccc(CNC(=O)CN2CCC[C@](COc3ccc(C)cc3)(OC)CC2)cc1 257241311 HXPIMUKOYVIORS-VWLOTQADSA-N 426.557 3.570 0 40 IHAB O=C(c1ccc(-n2cccn2)nc1)N1CCC[C@@H](c2nccnc2Oc2ccccc2)C1 257307742 TTWYRKJSHAKRNG-LJQANCHMSA-N 426.480 3.869 0 40 IHAB CN1C[C@H](C(=O)N(C)Cc2ccccc2)OC2(CCN(Cc3cccc(Cl)c3)CC2)C1 306123087 AEEXCRTZDNHSEV-HSZRJFAPSA-N 442.003 3.664 0 40 IHAB CC(C)N1CCN(CC2CC2)C[C@H]1c1nnc2ccc(C(=O)Nc3ccccc3F)cn12 306135436 OQOUSAQNNBQXRQ-NRFANRHFSA-N 436.535 3.598 0 40 IHAB COc1ccccc1NS(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC2CCCCC2)cc1 408610291 OSSFGAMEWNCQFP-INIZCTEOSA-N 432.542 3.712 0 40 IHAB Cc1c(C)c(C)c([C@@H]2c3c(n(C)c(=O)n(C)c3=O)N=C3c4ccccc4C(=O)[C@@H]32)c(C)c1C 408733572 KSVRWROEKTUIMB-LEWJYISDSA-N 441.531 3.705 0 40 IHAB CCCCOC(=O)CN1C(=O)S/C(=C\c2ccc(I)cc2)C1=O 409209241 IDLVVMZOBLBGET-LCYFTJDESA-N 445.278 3.671 0 40 IHAB CCn1c(SCC(=O)Nc2ccc(Cl)c(C(=O)O)c2)nnc1-c1ccccc1O 409411118 CMIVEBKYGJVFMW-UHFFFAOYSA-N 432.889 3.753 0 40 IHAB O=C(NCC[C@@H](c1ccc(F)cc1)c1ccco1)c1c(-n2cnnn2)sc2c1CCC2 524734525 NZVVXFRFHDPDKZ-INIZCTEOSA-N 437.500 3.897 0 40 IHAB CC(=O)N1CCN([C@H]2CC[C@H](c3ccccc3)CC2)C[C@@](O)(COc2cccc(F)c2)C1 585281982 DMPKEIYDVRQGLE-QIGHUWCUSA-N 440.559 3.826 0 40 IHAB Cc1oncc1C(=O)N1CCC2(CCCCCc3ccccc3OCCNC2=O)CC1 643589002 OQHWXUHPHODFEL-UHFFFAOYSA-N 425.529 3.517 0 40 IHAB COc1ccc(Cl)c(C(=O)N2CCC3(CC2)CC(=O)N(Cc2csc(C)n2)C3)c1 2055796092 UTUXPGXRJKNQGW-UHFFFAOYSA-N 433.961 3.768 0 40 IHAB Cc1ccc(NC(=O)C(=O)NCCc2ccc(-c3ccco3)s2)cc1N1CCCC1=O 2086896707 QZWJAZQUYZCVSR-UHFFFAOYSA-N 437.521 3.741 0 40 IHAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Cl)c3)c(=O)n2[C@@H]1c1cccs1 635013 QRRFHGLWNVJELV-MUMAZLPKSA-N 444.965 3.513 0 40 IHAB CCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(OCc2ccccc2F)c(OC)c1 724940 KIVRKBVONIJYMX-OAQYLSRUSA-N 438.459 3.857 0 40 IHAB COc1cccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(Br)cc2)c1OC 867222 YHXBIQDBIZBUDU-QGZVFWFLSA-N 446.301 3.733 0 40 IHAB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\C(=O)Nc3ccc(Cl)cc3)C2=O)c1 1298481 OPOSAHYXOGQUBT-YBEGLDIGSA-N 429.885 3.805 0 40 IHAB COC(=O)c1c(I)c2ccccc2n1C(=O)c1cccc(OC)c1 1395252 MCAHXPVJKYBXKD-UHFFFAOYSA-N 435.217 3.730 0 40 IHAB Cc1cc(NC(=O)c2cc3c(=O)n4cccc(C)c4nc3n2C)ccc1Br 2917435 CSFINUPXWLNROX-UHFFFAOYSA-N 425.286 3.818 0 40 IHAB O=C(COC(=O)c1cnc(Cl)c(Cl)c1)COC(=O)c1cnc(Cl)c(Cl)c1 3249343 LKICMYHIDKGMAO-UHFFFAOYSA-N 438.050 3.673 0 40 IHAB COc1cc([C@H]2C(C(=O)OC(C)C)=C(C)Nc3nnnn32)ccc1OCc1ccc(C)cc1 8717605 UBKLRCHURPEVAW-QFIPXVFZSA-N 449.511 3.810 0 40 IHAB COc1cc([C@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2Cc2cccnc2)ccc1O 8845715 MDMGNCYTMFNHDL-DEOSSOPVSA-N 442.475 3.945 0 40 IHAB COCCNC(=O)c1c(NC(=O)c2cc(=O)c3cc(C)ccc3o2)sc2c1CCCC2 8915172 ZLOJTRDCWDNKCT-UHFFFAOYSA-N 440.521 3.670 0 40 IHAB O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1cc(Cl)c2c(c1)OCCCO2 8987845 IGQDEWYRILESNH-UHFFFAOYSA-N 436.917 3.538 0 40 IHAB O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)NCCc1ccccc1 9058434 NMXYWUIWJVWCQE-UHFFFAOYSA-N 428.941 3.894 0 40 IHAB CCc1nnc(NC(=O)CSc2nnc3ccc(-c4ccc(Cl)cc4)nn23)s1 9240476 RWTQLGRQJPYZPZ-UHFFFAOYSA-N 431.934 3.589 0 40 IHAB O=C(CSc1nnc(-c2cccnc2)o1)Nc1ccccc1C(=O)NCc1ccccc1 9376896 ZZXMAVSQPJCKPS-UHFFFAOYSA-N 445.504 3.792 0 40 IHAB CCn1c(=S)sc2c(=O)n(CC(=O)Nc3ccccc3C(F)(F)F)c(C)nc21 9409890 GNBQOIAIAWKCMR-UHFFFAOYSA-N 428.461 3.975 0 40 IHAB O=C(CSc1nnnn1C1CCCC1)N1CCC(c2nc3ccccc3s2)CC1 9448312 DCHVHVZVPTZQKM-UHFFFAOYSA-N 428.587 3.896 0 40 IHAB Cc1ccc(C)c(-c2nn(CC(=O)NCc3ccc4c(c3)OCO4)c(=O)c3ccccc23)c1 9454012 ZEBCZIZJLKXDLW-UHFFFAOYSA-N 441.487 3.725 0 40 IHAB Cc1cccc(NC(=O)COC(=O)CCS(=O)(=O)c2ccc3ccccc3c2)c1C 9525829 FYXNBXPUFMDLOP-UHFFFAOYSA-N 425.506 3.802 0 40 IHAB Cc1nc(-c2ccccc2)sc1C(=O)NCCn1nc(-c2ccc(F)cc2)ccc1=O 9660907 VFDMDQOINTYTLE-UHFFFAOYSA-N 434.496 3.911 0 40 IHAB C[C@@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)c2ccc3c(c2)OCCCO3)C1=O 9663362 UXKQQTOBHDLWHI-VWLOTQADSA-N 430.460 3.651 0 40 IHAB Cc1cccc(C)c1NC(=O)CNC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O 9670312 RJEPNZBSSXMYJU-UHFFFAOYSA-N 443.503 3.588 0 40 IHAB Cc1csc(NC(=O)CSc2nnc(CN3CCCCC3)n2-c2ccc(F)cc2)n1 9882059 UGXNKOYLBQOGLJ-UHFFFAOYSA-N 446.577 3.888 0 40 IHAB COc1ccc(S(=O)(=O)CC(=O)Nc2nc3c(cc4c5c(cccc53)CC4)s2)cc1 10024654 IJFYVKOHAIDIDC-UHFFFAOYSA-N 438.530 3.969 0 40 IHAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)C1=O 10216254 BEOBPJAKMHNDBA-CPJLOUKISA-N 437.515 3.739 0 40 IHAB C[C@H](Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)C(=O)N[C@@H](C)c1ccccc1 11363846 PIUYPXUTSDKKIW-LNLFQRSKSA-N 437.565 3.934 0 40 IHAB CCN1CCN(c2oc(-c3ccc(C)cc3)nc2S(=O)(=O)c2ccc(C)cc2)CC1 12419275 RCEKBVVOAGRHAO-UHFFFAOYSA-N 425.554 3.933 0 40 IHAB Cc1ccccc1-n1ccnc1SCC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 12548310 KUHUPXYOFWABAI-UHFFFAOYSA-N 447.564 3.780 0 40 IHAB CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)CN1CCC[C@H](C(=O)OCC)C1 12568143 YQMYTPAAHONPJE-HNNXBMFYSA-N 448.541 3.707 0 40 IHAB CCn1c(SCC(=O)Nc2ccccc2F)nnc1[C@H](C)NC(=O)c1ccccc1 12630793 XCEJDLMDEWTURM-AWEZNQCLSA-N 427.505 3.659 0 40 IHAB Cc1cc(=O)c(C(=O)N2CCN(Cc3ccc(C(C)C)cc3)CC2)nn1-c1ccccc1 12979819 GXYYWOKUJSZOAX-UHFFFAOYSA-N 430.552 3.622 0 40 IHAB COc1ccc(NC(=O)c2ccc(CN3C(=O)N[C@@]4(CCc5ccccc54)C3=O)cc2)cc1 13165261 AELHKTOTDANFKY-AREMUKBSSA-N 441.487 3.841 0 40 IHAB CCn1c(SCC(=O)Nc2cccc(C(=O)O)c2)nc2sc3c(c2c1=O)CCCC3 13354623 GHXIELICQORVDV-UHFFFAOYSA-N 443.550 3.786 0 40 IHAB Fc1ccc(Cn2nnnc2[C@@H](c2ccccc2)N2CCN(c3ccc(F)cc3)CC2)cc1 13504746 BNQLRUKIPUXWAL-XMMPIXPASA-N 446.505 3.911 0 40 IHAB COc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=S)NC[C@@H]3CCCO3)cc2c1 13554964 JRZGSODQOHESPX-SFHVURJKSA-N 443.594 3.654 0 40 IHAB CCc1cc2c(=O)n(Cc3ccco3)c(SCC(=O)NCc3ccco3)nc2s1 13564819 SQGBTWBIVPOFEF-UHFFFAOYSA-N 429.523 3.663 0 40 IHAB COc1ccc(CN(CCCN2CCOCC2)Cc2cccnc2)c2c(OC)cccc12 13569071 IBBDSKFXHFUSID-UHFFFAOYSA-N 435.568 3.977 0 40 IHAB O=S(=O)(c1ccc2c(c1)OCCO2)c1nc(-c2ccco2)oc1NCc1cccnc1 13727306 QROBQRGOGCQFFM-UHFFFAOYSA-N 439.449 3.546 0 40 IHAB Cc1ccc(N2C(=O)C[C@@H](N3O[C@@](O)(c4ccccc4)C[C@@H]3c3ccccc3)C2=O)cc1 13749955 MCNZCLWFSJUCRG-JQYIIUTOSA-N 428.488 3.851 0 40 IHAB CCOc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)NC3CCCC3)CC2=O)cc1 14423698 FSLBOKCRMOCJQB-QGZVFWFLSA-N 435.524 3.749 0 40 IHAB Cc1cc(Br)ccc1NC(=O)CN(C)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 15419431 SUSOEAKRCXIQSB-UHFFFAOYSA-N 449.736 3.718 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(OC)c(NC(=O)c3ccccc3F)c2)cc1 15892381 YVPJRIYFKOHEMK-UHFFFAOYSA-N 430.457 3.896 0 40 IHAB CC[C@@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1cc(Br)ccc1OC 16121100 CPUATFUTCLHOHZ-GFCCVEGCSA-N 441.347 3.787 0 40 IHAB Cc1ccccc1-c1nc2scc(CCNS(=O)(=O)c3ccc(F)cc3C)n2n1 17136133 RNNWYVDBZDLVNU-UHFFFAOYSA-N 430.530 3.735 0 40 IHAB COc1cc(CNS(=O)(=O)c2cc(Br)ccc2C)ccc1OC(F)F 17332523 QMGUPZITJVFWAM-UHFFFAOYSA-N 436.274 3.846 0 40 IHAB CN(C)C(=O)[C@H](OC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccccc1 17481085 CYOWUBFHMPPVCW-HSZRJFAPSA-N 426.476 3.921 0 40 IHAB O=C(c1ccc(F)cc1)N1CCc2nc([C@H]3CCCN3Cc3cccs3)[nH]c(=O)c2C1 19343464 LRMOPCKHYDECFO-HXUWFJFHSA-N 438.528 3.506 0 40 IHAB CCCN1CCN(C(=O)c2cn(C)cn2)C[C@@H](Cc2ccc(-c3cccs3)cc2)C1=O 19502896 NFQPICJJFZZQTH-HXUWFJFHSA-N 436.581 3.702 0 40 IHAB COc1cc(CN2CC[C@](Cc3cccc(-c4ccncc4)c3)(C(N)=O)C2)cc(OC)c1 19595072 HTAZVENDXHJKNS-AREMUKBSSA-N 431.536 3.686 0 40 IHAB CC(=O)NCc1cnn(-c2ccc(C)cc2)c1[C@@H]1CCN(Cc2cnc(C(C)C)nc2)C1 19708007 YRBHIWOGNATQNX-OAQYLSRUSA-N 432.572 3.720 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)cc1 19930734 CZKOZFUAFNFTMB-UHFFFAOYSA-N 444.553 3.656 0 40 IHAB CCOc1ccccc1N(CC(=O)NCc1ccccc1C)S(=O)(=O)c1ccccc1 20233895 KEPXCEMLXFZMOY-UHFFFAOYSA-N 438.549 3.905 0 40 IHAB Cn1ncc2c(SCC(=O)N3CCc4sccc4[C@H]3c3cccs3)ncnc21 21754995 QVWPMOXWGXWYMO-KRWDZBQOSA-N 427.580 3.753 0 40 IHAB CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(OCC(=O)Nc2ccccc2F)cc1 22232575 YXRZNPPJXHWYPH-UHFFFAOYSA-N 446.475 3.949 0 40 IHAB CC(C)Oc1ccc(CCCNC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 22330867 PBYOKENGQSIMBA-UHFFFAOYSA-N 438.977 3.642 0 40 IHAB CCN(CC(=O)N[C@@H](C)c1cc(C)c(C)cc1C)S(=O)(=O)c1ccc(OC)c(C)c1 22539287 SRUVYHBCEICQPD-IBGZPJMESA-N 432.586 3.817 0 40 IHAB O=C(NC[C@@H](c1ccsc1)N1CCc2ccccc2C1)C(=O)Nc1ccc(F)c(F)c1 22766796 NBYVPMTWLBDCGA-NRFANRHFSA-N 441.503 3.881 0 40 IHAB Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)cc1 23054544 COFNJRJIWKIWQW-UHFFFAOYSA-N 447.491 3.701 0 40 IHAB CCOC(=O)c1c(C)oc(NC(=O)CSc2c(Cl)cccc2Cl)c1C(N)=O 24145223 KTNKUXHFYWMNLZ-UHFFFAOYSA-N 431.297 3.901 0 40 IHAB CNS(=O)(=O)Cc1ccccc1CN[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 24529151 CVBROWOFDRJQCB-XMMPIXPASA-N 447.560 3.931 0 40 IHAB CSc1nc2ccc(NC(=O)[C@H]3CS[C@@H](Cc4ccccc4F)C(=O)N3)cc2s1 29648928 LDINLSAUXZVZOT-WBVHZDCISA-N 447.582 3.939 0 40 IHAB CSCC[C@H](C(=O)OCc1nc2ccccc2s1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 32808616 IYFQDVNDMFWUTK-OFQRWUPVSA-N 432.567 3.636 0 40 IHAB COc1ccc(NC(C)=O)cc1NC(=O)C1(S(=O)(=O)c2ccc(C)c(C)c2)CCCC1 32856183 KMYWEJKMANHCNX-UHFFFAOYSA-N 444.553 3.996 0 40 IHAB CC(C)c1ccc(NC(=O)[C@@H](C)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)cc1 32860139 HDKYXMMRUSNBPA-ZWKOTPCHSA-N 436.556 3.833 0 40 IHAB Cc1ccc(-c2cc(C(=O)NCc3ccc(F)cc3)nn2[C@H]2CCS(=O)(=O)C2)cc1C 33325700 MDWNCYBMEBIWEW-FQEVSTJZSA-N 441.528 3.596 0 40 IHAB COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N[C@@H]1CCOc2ccccc21 36398185 QVGJQBXXPHLLJH-OAQYLSRUSA-N 442.471 3.745 0 40 IHAB CC(C)C[C@H](NC(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O)c1ccccc1 44885457 NKEQHCKTFJTVIQ-XLIONFOSSA-N 446.569 3.516 0 40 IHAB COc1ccc(C(=O)Cn2nc(-c3ccc(Br)cc3)ccc2=O)cc1OC 44901385 QNEMMQAKFKOQNS-UHFFFAOYSA-N 429.270 3.573 0 40 IHAB COc1ccc(CCC(=O)NCc2ccccc2CN2C[C@H](C)O[C@H](C)C2)cc1OC 48325220 ODZYQDZVYZRMBS-KDURUIRLSA-N 426.557 3.562 0 40 IHAB Cc1ccc(NC(=O)c2cn(CC(=O)NC3CCCCC3)c3nc(C)ccc3c2=O)cc1 49002049 LRSFFJRIKUKHCP-UHFFFAOYSA-N 432.524 3.715 0 40 IHAB CC[C@H](C)c1ccc(OCC(=O)Nc2cc(C(=O)OC)ccc2N2CCN(C)CC2)cc1 57313230 DOOXOBVRQBSFMJ-SFHVURJKSA-N 439.556 3.756 0 40 IHAB NS(=O)(=O)c1ccc(CCNc2nnc(-c3cccs3)c(-c3cccs3)n2)cc1 57740576 DEQSTVIKBNELEH-UHFFFAOYSA-N 443.579 3.631 0 40 IHAB O=C(c1ccccc1I)N1CCN(C/C=C/c2ccccc2)CC1 69001790 RHHUCRFIWCAKDN-RMKNXTFCSA-N 432.305 3.762 0 40 IHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCN1C(=O)S/C(=C/c2ccccc2)C1=O 69297703 LFWCQJKDEACWKA-QFGUUYLXSA-N 430.913 3.960 0 40 IHAB COC(=O)[C@@H](Cc1c[nH]c2ccc(Br)cc12)NC(=O)[C@@H](C)OCCC(C)C 72306765 GIGIIIAJRNJHJJ-FZKQIMNGSA-N 439.350 3.582 0 40 IHAB Cc1nc(C2CCN(C3CCOCC3)CC2)nc2c1CC(=O)N2CCCc1ccccc1 72371962 ZGEVBCUCLYCNLU-UHFFFAOYSA-N 434.584 3.665 0 40 IHAB CCOC(=O)[C@@]1(Cc2cc(-c3ccc(F)cc3)no2)CCCN(C(=O)[C@@]2(C)CCCO2)C1 72394119 ZEDJNXJVGOYVAK-DNQXCXABSA-N 444.503 3.764 0 40 IHAB CC(C)(C)OC(=O)N1CCC(C(=O)N2CCN(c3ccc(F)cc3Cl)CC2)CC1 89661927 BGPFSUWZKCDCLJ-UHFFFAOYSA-N 425.932 3.775 0 40 IHAB CC(C)Cn1ncc2cc(C(=O)N[C@@H](C)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cnc21 95958250 BCRYTILPTLAKFG-DLBZAZTESA-N 429.565 3.853 0 40 IHAB O=C(NCC1CCN(C(=O)COc2ccccc2)CC1)c1cc(Br)cs1 96120350 FCVMYKPBRAMQBG-UHFFFAOYSA-N 437.359 3.558 0 40 IHAB Cc1ccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)C(=O)c2ccccc2)c(C)c1 100396485 UBRRSJSTZHOYAV-JKNQRQLFSA-N 426.516 3.961 0 40 IHAB COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccccc2)c(OC)c1 102729643 MURCILWVRZTRIQ-XPWALMASSA-N 448.450 3.894 0 40 IHAB NC12C3(Cl)[C@@]4(Cl)C5(Cl)C(Cl)(Cl)C(Cl)([C@]14Cl)[C@]2(Cl)[C@]53Cl 104006728 KCRHNURXNCHJNT-UIDLJGMLSA-N 443.199 3.769 0 40 IHAB CC(C)(C)OC(=O)N1CC[C@@H](N)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C1 144509593 OHZYQOUWPAVPGO-YADHBBJMSA-N 437.540 3.862 0 40 IHAB COc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1OC 216346399 YXPDIYDEHSCKAM-QGZVFWFLSA-N 446.569 3.678 0 40 IHAB CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN1C(=O)c2cccc3cccc1c23 222513079 TZSGQUNHQSSINW-OAHLLOKOSA-N 435.911 3.617 0 40 IHAB COc1ccc2c(c1)[C@H](NC(=O)c1cccc(N3CCCCS3(=O)=O)c1)CC(C)(C)O2 222562241 SZXMNVZVIYIJMH-HXUWFJFHSA-N 444.553 3.657 0 40 IHAB COc1ccc(C(=O)Nc2cccc(F)c2)cc1CN(C)S(=O)(=O)c1ccccc1 224768115 HPJQKMQGOHYGPI-UHFFFAOYSA-N 428.485 3.907 0 40 IHAB Cc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1S(=O)(=O)N1CCCC1 224870937 VLYFIFZARIGWTA-UHFFFAOYSA-N 428.432 3.930 0 40 IHAB CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1cc(C)cc(C)c1 225487440 PNQOHNYVOGBFCG-INIZCTEOSA-N 433.346 3.608 0 40 IHAB CCc1ccc([C@H](C)NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)cc1 225768263 WCUXAFWVIBFSJC-AOMKIAJQSA-N 444.597 3.951 0 40 IHAB COc1cccc(N(C)C(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)c1 226000660 QZHISAVTBJVQLN-UHFFFAOYSA-N 430.570 3.990 0 40 IHAB CC(C)N1CC[C@@H](CCc2ccc(NC(=O)C3CCN(S(C)(=O)=O)CC3)cc2)[C@H](C)C1 248020039 UHZMWAUFEWHHNR-TZIWHRDSSA-N 449.661 3.596 0 40 IHAB Cc1cc(Nc2cc(CC3CCN(C(=O)Cc4c(F)cccc4F)CC3)nc(C)n2)[nH]n1 257206274 BCRHTUHGCXZBIS-UHFFFAOYSA-N 440.498 3.862 0 40 IHAB CCN1CCN(C(=O)CCc2ccccc2)[C@@H](Cc2ccccc2-c2cccnc2)C1=O 257260681 LDXAIXQLKKGQBA-VWLOTQADSA-N 427.548 3.983 0 40 IHAB O=C(c1ccccc1Cn1ccnc1)N1CC[C@]2(C1)CN(c1ccc(Cl)cc1)C(=O)O2 257269582 MQNZBVGCFKIIOZ-QHCPKHFHSA-N 436.899 3.826 0 40 IHAB COc1ccc([C@H]2CN(C(=O)c3ccc(OC)c(OCc4ccccn4)c3)CCN2C)cc1 257311773 UKYAVTGJVXXDKT-HSZRJFAPSA-N 447.535 3.807 0 40 IHAB COc1ccc(-c2cccc3nc([C@H]4CN(C(=O)c5ccncc5)CCN4C)cn23)cc1 306124730 BXWZSFJOTJDRST-HSZRJFAPSA-N 427.508 3.534 0 40 IHAB COc1cccc(-c2ccc3nc([C@H]4CCCN(C(=O)c5ccncc5)C4)nn3c2)c1OC 306128509 HCLNMSQDROIKHZ-IBGZPJMESA-N 443.507 3.828 0 40 IHAB O=C1C(=O)N(Cc2nc(O)c3c4c(sc3n2)CCCC4)c2ccc(Br)cc21 408583831 XEWFARHFRQGSQA-UHFFFAOYSA-N 444.310 3.768 0 40 IHAB CCC[C@H]1N=c2s/c(=C\c3ccc(Cl)cc3Cl)c(=O)n2C(C)=C1C(=O)OCC 408731619 MKJNNYHZTKLTBL-AVIKPIRVSA-N 439.364 3.641 0 40 IHAB O=c1/c(=C/c2cc(Br)c(N3CCCCC3)o2)sc2nc3ccccc3n12 408859878 UQPCLCGXTDYZIF-WJDWOHSUSA-N 430.327 3.803 0 40 IHAB COc1ccc([C@H]2[C@@H](NC(=O)c3cccc(C)c3)C(=O)N/[N+]2=C\c2ccc(Cl)cc2)cc1 409056318 CNYUGAOHTYKHHS-WSBKAMHLSA-O 448.930 3.673 0 40 IHAB CC(C)Oc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc1 409154988 PFEXVEOBCSGXLH-OCKHKDLRSA-N 440.477 3.878 0 40 IHAB CC(C)[C@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)N[C@H]2CCCC[C@@H]2C)n1C 409160437 WZWIPNDPGJLQMF-QRFRQXIXSA-N 443.617 3.729 0 40 IHAB C[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)NCc1cccc(C(N)=O)c1)OCCO3 502169462 IWNYOWSCWKTYIZ-INIZCTEOSA-N 435.524 3.655 0 40 IHAB Cn1nc(CC(=O)Nc2nc3c(s2)C[C@@H](c2ccccc2)CC3)c2ccccc2c1=O 520644724 GHHCNWVZAOGKJA-INIZCTEOSA-N 430.533 3.844 0 40 IHAB Cc1nn(C)c(C)c1[C@H](NC(=O)N[C@@H](c1c(C)nn(C)c1C)C(F)(F)F)C(F)(F)F 541806665 RKKZSFUNDMPMHY-KBPBESRZSA-N 440.392 3.593 0 40 IHAB Cc1nn(CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c(C)c1-c1ccco1 575614716 CKCAIRXTTUJXJM-UHFFFAOYSA-N 429.420 3.637 0 40 IHAB O=C(NC[C@H]1CC[C@@H]2CN(C(=O)c3cccnc3)c3ccccc3CN12)c1ccccc1 585110123 MQWFYDPIZKOVQD-DHIUTWEWSA-N 426.520 3.505 0 40 IHAB CC(C)([C@@H](NC(=O)Cc1ccc2c(c1)NC(=O)C2)c1ccc(F)c(F)c1)N1CCCC1 680322079 FOVZBIGYQSYWGJ-QHCPKHFHSA-N 427.495 3.734 0 40 IHAB CO[C@@H]1C(=O)Nc2ccc(/C=C/[C@]3(C)CC[C@H](O)[C@@H](C)C3)c(O)c2[C@@]1(O)c1ccccc1 1772591985 VHCOEFMALBJZLE-JTYNPPSSSA-N 437.536 3.796 0 40 IHAB COc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CCCC[C@H]3C)cc2c1 893022 CPEBGTAZKBMUOX-UZUQRXQVSA-N 444.539 3.535 0 40 IHAB O=C(NC1CCCCC1)[C@@H](c1ccncc1)N(CCc1ccccc1)C(=O)c1csnn1 1378480 VCEVLTPARFDPKQ-JOCHJYFZSA-N 449.580 3.808 0 40 IHAB CCc1cc(=O)oc2cc(C)cc(OCC(=O)N[C@H](Cc3ccc(Cl)cc3)C(=O)O)c12 2125105 OJUPJYPBBXUCNE-QGZVFWFLSA-N 443.883 3.508 0 40 IHAB biogenic O=C(CSc1nnc(NCc2ccccc2)s1)Nc1ccc(N2CCOCC2)cc1 2621749 GFRJXYMXYJDEKP-UHFFFAOYSA-N 441.582 3.718 0 40 IHAB CC(=O)Nc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(NC(C)=O)cc3)nc2)cc1 2756079 ZWKDMHPZZROFCY-UHFFFAOYSA-N 431.452 3.503 0 40 IHAB CCCn1c(S)nc2cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc2c1=O 3051749 KEPYOSVYRINPPH-UHFFFAOYSA-N 442.972 3.711 0 40 IHAB CCOCCCNC(=S)N(Cc1cc2cc(C)ccc2n2nnnc12)C1CCCC1 4910887 UZOUZKYATREGQY-UHFFFAOYSA-N 426.590 3.632 0 40 IHAB COc1cc([C@@H]2c3cc4c(cc3O[C@@](C)(OC)[C@@H]2C(C)=O)OCO4)cc(OC)c1OC 5663568 ZQFDPMHEBRRVRC-MQSCRBSSSA-N 430.453 3.533 0 40 IHAB Cc1ccc2[nH]c(SCC(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)nc2c1 6173434 QFUYQCLINKITEN-UHFFFAOYSA-N 444.582 3.777 0 40 IHAB Cc1cc(C(=O)COC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)c(C)n1C[C@@H]1CCCO1 8713713 UZHBCLZOZGECHE-WBVHZDCISA-N 442.537 3.756 0 40 IHAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CN2C(=O)CC3(CCCC3)C2=O)cc1 8745948 CGFFFVQGUSANCU-QFIPXVFZSA-N 445.519 3.692 0 40 IHAB Cc1ccc(CN(C(=O)c2cc(=O)c3cc(C)cc(C)c3o2)[C@@H]2CCS(=O)(=O)C2)cc1 8915262 FVJNKLQGLOYVMB-LJQANCHMSA-N 439.533 3.548 0 40 IHAB Cc1cc(-n2c(C)cc(C(=O)Cn3nnc(-c4ccccc4Br)n3)c2C)no1 8965623 NVYXWMFVCJIKHX-UHFFFAOYSA-N 441.289 3.689 0 40 IHAB Cc1ccc([C@]2(c3ccccc3)NC(=O)N(CC(=O)NC3CCCCCC3)C2=O)cc1C 9125027 ZPVDOYCABPACGO-SANMLTNESA-N 433.552 3.938 0 40 IHAB CCOc1ccc([C@H]2Nn3c(CC)nnc3S[C@H]2C(=O)Nc2ccc(OC)cc2)cc1 9197685 WYMFHUAREPBESY-WOJBJXKFSA-N 439.541 3.646 0 40 IHAB CCc1nnc2n1N[C@H](c1ccc(OC)c(Cl)c1)[C@H](C(=O)Nc1ccccc1)S2 9239183 BAFYILCVGZJUAD-QZTJIDSGSA-N 429.933 3.900 0 40 IHAB CCn1nnc2cc(C(=O)OCC(=O)N(Cc3ccccc3)Cc3ccccc3)ccc21 9442508 OSFXOGNQWTUZSA-UHFFFAOYSA-N 428.492 3.837 0 40 IHAB COc1cc(OC)c(NC(=O)COC(=O)c2ccccc2Br)cc1Cl 9765689 XEFFNNCYFPIJQT-UHFFFAOYSA-N 428.666 3.915 0 40 IHAB O=C(Cc1csc(NS(=O)(=O)c2ccc(Cl)cc2)n1)Nc1cccc(F)c1 9828523 PSOWWAKZRMMVTH-UHFFFAOYSA-N 425.894 3.918 0 40 IHAB Cc1ccc(NC(=O)C[C@@H]2C(=O)N[C@H]3CCCC[C@@H]3N2C(=O)c2cccs2)cc1Cl 9926583 KGKZYLYLFMCUMG-OKZBNKHCSA-N 445.972 3.991 0 40 IHAB Cc1ccc(NC(=O)CNc2ccccc2N2CCCC2=O)cc1I 10180102 FMJNKOUGXUCYOV-UHFFFAOYSA-N 449.292 3.777 0 40 IHAB Cc1cnc(-c2nc(C3CCN(C(=O)CCC(=O)c4ccc(C)c(C)c4)CC3)no2)cn1 12187487 WBLYRUIEGGGMBL-UHFFFAOYSA-N 433.512 3.821 0 40 IHAB O=C1C[C@H](c2nc(-c3ccc(Br)cc3)no2)CN1c1ccc2c(c1)OCO2 12416027 ODQWKXHQNAKHGX-LBPRGKRZSA-N 428.242 3.748 0 40 IHAB CCCN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3cc(OC)c(OC)c(OC)c3)N2C1=O 12652472 ZSPNWGCIXHPEGD-AVRDEDQJSA-N 449.507 3.882 0 40 IHAB biogenic COc1ccc([C@@H](CNC(=O)c2ccc(OC)c(OC)c2OC)N2CCCCC2)cc1 12783079 VJSIXQKDACETLN-HXUWFJFHSA-N 428.529 3.678 0 40 IHAB Cc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@@H]2CCS(=O)(=O)C2)cc1F 12804601 XCOBXGZHUCQJGL-MRXNPFEDSA-N 442.516 3.677 0 40 IHAB O=C(CN1CCN(C(=O)c2cccc(CSc3ccc(Cl)cc3)c2)CC1)NC1CC1 12904781 YYPGCPCHFHJEGE-UHFFFAOYSA-N 444.000 3.669 0 40 IHAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NC[C@H](c1cccs1)N1CCOCC1 12981985 VEZMPDWVTHHJIJ-OAHLLOKOSA-N 435.615 3.906 0 40 IHAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2 13074677 ZCKPFXHFGCDUOX-TWLOVUBOSA-N 448.947 3.551 0 40 IHAB Nn1c(Cc2cccc3ccccc23)nnc1SCCCn1c(=O)[nH]c2ccccc21 13109310 ZBJLKIYFPTWFPM-UHFFFAOYSA-N 430.537 3.561 0 40 IHAB O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1Cl)NC1CCCCC1 13566166 OCDXQLUXQOUCNQ-UHFFFAOYSA-N 448.972 3.919 0 40 IHAB CN(C)C(=O)CSc1ccccc1C(=O)N1CCN(Cc2ccc(Cl)s2)CC1 14138975 XZKRKXNYPYVQKM-UHFFFAOYSA-N 438.018 3.540 0 40 IHAB NC(=O)c1ccc(C(F)(F)F)n(CC(=O)c2c(-c3ccccc3)[nH]c3ccccc23)c1=O 14152767 BRGFAOWRXRZGDA-UHFFFAOYSA-N 439.393 3.997 0 40 IHAB CC[C@H](C)Cc1c(C)sc2nc(SCn3nnc4ccccc4c3=O)[nH]c(=O)c12 14244686 OPNKPCLAKRGKDB-NSHDSACASA-N 427.555 3.736 0 40 IHAB COc1ccc(NC(=O)N2Cc3nc[nH]c3C[C@H]2c2nc(-c3ccc(F)cc3)no2)cc1 15676063 HEQPEDGUVQYQFU-IBGZPJMESA-N 434.431 3.939 0 40 IHAB biogenic,in-vitro Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)N[C@@H](CN1CCOCC1)c1ccccc1 16175762 BXTRKMKGPONCIO-AAJFVQQISA-N 430.552 3.692 0 40 IHAB O=C(COc1coc(CN2CCc3ccccc3C2)cc1=O)NCc1ccccc1Cl 16689925 OSOZFDHZYQWIMK-UHFFFAOYSA-N 438.911 3.547 0 40 IHAB Cc1ccc(Cl)c2sc(N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)nc12 17026714 KCBVKDAACXUNHH-QGZVFWFLSA-N 429.929 3.747 0 40 IHAB Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H]([C@H]1CCCN(C(=O)COc3ccccc3F)C1)N2 19127952 RGSWELBBKLYNAE-QILLFSRXSA-N 440.441 3.936 0 40 IHAB CNC(=O)[C@@]1(Cc2ccccc2-c2ccc(C)cc2)CCCN(C(=O)c2cnccn2)C1 19212811 JXUNWUZOCIAQCH-AREMUKBSSA-N 428.536 3.663 0 40 IHAB COc1ccccc1-c1ccccc1C[C@H]1CN(C(=O)c2cc(C(C)C)no2)CCNC1=O 19452948 JJGCBBIHLAJRCZ-IBGZPJMESA-N 447.535 3.905 0 40 IHAB CN(C)c1ncc(-c2cccc(F)c2)c([C@@H]2CCN(C(=O)c3[nH]nc4c3CCCCC4)C2)n1 19695032 FMROIGGUVZHNIX-QGZVFWFLSA-N 448.546 3.970 0 40 IHAB Cc1nc([C@@H]2CCCN(C(=O)c3cnccn3)C2)nc2c1CCCN2Cc1ccc(F)cc1 19706546 HWYPTWCICWECAE-LJQANCHMSA-N 446.530 3.687 0 40 IHAB CN(C)CCN(C(=O)[C@H]1CC(=O)N(c2ccccc2)C1)c1nc2ccc(Cl)cc2s1 22664357 XRVUTNJUHDWMOG-HNNXBMFYSA-N 442.972 3.897 0 40 IHAB CC(C)n1c(=O)c2ccccc2n(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)c1=O 23126706 FWFLDMUUNGBUAP-UHFFFAOYSA-N 430.386 3.861 0 40 IHAB CCc1ccccc1NC(=O)CNC(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1 23908504 GNKNHDRLGRAYOP-UHFFFAOYSA-N 440.503 3.625 0 40 IHAB CC(C)n1ncc2c(C(=O)N3CCN(C[C@H]4CCCO4)CC3)cc(-c3ccccc3)nc21 23934852 GQVBLQDVWGGAAQ-HXUWFJFHSA-N 433.556 3.616 0 40 IHAB O=c1c2sc(-c3ccc(F)cc3)cc2ncn1C[C@@H](O)COCc1ccccc1F 25045430 NEHBOIRASAODJY-QGZVFWFLSA-N 428.460 3.981 0 40 IHAB O=C(c1cccc(Cl)c1)N1CCN(C(=O)c2cc(F)ccc2Br)CC1 25922439 DQZXEYWKGBLMIF-UHFFFAOYSA-N 425.685 3.840 0 40 IHAB FC(F)Oc1ccc(Br)cc1CNCc1ccc(N2CCOCC2)nc1 30636695 FNNPAHAACHTTSX-UHFFFAOYSA-N 428.277 3.572 0 40 IHAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c1 30856498 KIEQPRNTLVZSPC-KRWDZBQOSA-N 440.525 3.609 0 40 IHAB CN(C)S(=O)(=O)c1ccc(OCCSc2nnc(-c3ccc(Cl)cc3)o2)cc1 32173912 RELXBHSHMSQQDC-UHFFFAOYSA-N 439.946 3.811 0 40 IHAB CCOc1cc(CN(C(=O)CN2C(=O)COc3ccccc32)C2CC2)ccc1OC(F)F 32744950 WQFWTUHIUUCLJO-UHFFFAOYSA-N 446.450 3.603 0 40 IHAB Cc1ccc(-c2cc(C(=O)N(C)CC(=O)Nc3ccc(OC(F)(F)F)cc3)[nH]n2)cc1 32879152 LSBAZHYRIIATBJ-UHFFFAOYSA-N 432.402 3.994 0 40 IHAB Cc1ccc2nc(COc3ccc(NC(=O)Nc4ccc5c(c4)OCO5)cc3)cc(=O)n2c1 33068206 POOJTRNFEKUDLA-UHFFFAOYSA-N 444.447 3.955 0 40 IHAB COc1ccc(CNC(=O)C2CCN(c3ncnc4c3oc3ccccc34)CC2)c(OC)c1 33290408 FCEOHORSBRWNAX-UHFFFAOYSA-N 446.507 3.926 0 40 IHAB COc1ccc(-c2noc(-c3ccc(=O)n(CC(=O)Nc4ccc(Cl)cc4)c3)n2)cc1 33293153 PYGWYDDXAHJBDI-UHFFFAOYSA-N 436.855 3.866 0 40 IHAB NC1=N[C@@H](c2cc(Br)c(O)c(Br)c2)N2C(=N1)Nc1ccccc12 38185889 MZLQMEDFAHTZPY-CYBMUJFWSA-N 437.095 3.532 0 40 IHAB O=C(c1ccc(CS(=O)(=O)N2CCCC2)cc1)N1CCC(Cc2ccccc2)CC1 44843514 NMUXGJRCAQHZGS-UHFFFAOYSA-N 426.582 3.707 0 40 IHAB O=C(NCCc1cccc(F)c1)C(Cc1ccccc1)C(=O)NCCc1cccc(F)c1 58438826 LSNFLBNANHIODP-UHFFFAOYSA-N 436.502 3.841 0 40 IHAB Cc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccc(Br)cc3)c2C)cc1F 67322571 OIQVXNCLSYFZLD-UHFFFAOYSA-N 446.280 3.688 0 40 IHAB COc1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(C)c(F)c3)c2C)cc1Cl 71327224 OEBNHWUKUBKSAP-UHFFFAOYSA-N 431.855 3.587 0 40 IHAB O=C(/C=C/c1ccccc1)N1CCC(C(=O)N2CC(OCCCOc3ccccc3)C2)CC1 72311804 KAARPEMLAMABCN-OUKQBFOZSA-N 448.563 3.635 0 40 IHAB Cc1n[nH]cc1C(=O)N1CC[C@@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)[nH]n2)C1 72371444 NBHZXWKDUSXREW-CQSZACIVSA-N 433.434 3.711 0 40 IHAB CCCn1cc(S(=O)(=O)N2CCC[C@H]2c2cccc(Nc3ncccc3C)n2)c(C)n1 72375824 RXVGFTNSHNFBCA-IBGZPJMESA-N 440.573 3.969 0 40 IHAB COc1ccc(CN2CCC(c3cc(O)nc(-c4ccccn4)n3)CC2)c(OC)c1OC 72392859 WEKYYVGFCUSVML-UHFFFAOYSA-N 436.512 3.650 0 40 IHAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@@H](c1ccccc1OC(F)(F)F)CC(O)=N2 72404978 JIBMUFDYBXKILZ-LLVKDONJSA-N 429.362 3.869 0 40 IHAB COCc1cc(C)nc2sc3c(c12)N[C@@H](c1ccc(OC)c(OC)c1OC)NC3=O 78546588 IVLLTFDODUCUTI-LJQANCHMSA-N 429.498 3.631 0 40 IHAB COc1ccc(/C=C2/N=C(c3ccc(N4CCCC4=O)cc3)OC2=O)cc1OC(F)F 96892236 UYFZMYXTJKOFAK-LFIBNONCSA-N 428.391 3.768 0 40 IHAB CCOc1c(I)cc(C(=O)OCC(=O)c2ccccc2)cc1OC 108921601 NRZMGGVZKIJYLM-UHFFFAOYSA-N 440.233 3.738 0 40 IHAB COc1cccc(-c2noc(CN(C)C(=O)COc3ccc(Br)cc3)n2)c1 218820260 KMYCKXPJZAZIHT-UHFFFAOYSA-N 432.274 3.545 0 40 IHAB COc1ccccc1N(CCCC(=O)Nc1ccc(Br)cc1)S(C)(=O)=O 222576826 PRTYXZPJCAOHOX-UHFFFAOYSA-N 441.347 3.643 0 40 IHAB CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCCN1C(=O)c2cccc3cccc1c23 222911170 UWRAPRDCMTXCFG-LJQANCHMSA-N 443.547 3.786 0 40 IHAB COc1ccc(NC(=O)c2ccc(CN(C)S(=O)(=O)c3ccccc3)cc2)c(OC)c1 224406320 GMGWAYVOYXLUQM-UHFFFAOYSA-N 440.521 3.777 0 40 IHAB COc1ccc(CNC(=O)CCCN(c2ccccc2C(C)C)S(C)(=O)=O)cc1OC 224839705 CVLDCKKFNHLXFG-UHFFFAOYSA-N 448.585 3.690 0 40 IHAB C[C@H](C(=O)NCCSC1CCCC1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 224953873 XXUYGGOMCUVAOT-GFCCVEGCSA-N 439.430 3.940 0 40 IHAB Cc1cccc([C@H](NS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)c2ccccc2)c1 225423539 DLSAJUFHTYUFFS-QGZVFWFLSA-N 430.555 3.509 0 40 IHAB O=C(Nc1nnc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)s1)c1ccccc1 225452284 SUBWVXLOJFVGCJ-UHFFFAOYSA-N 443.337 3.576 0 40 IHAB S=C(NCC1(c2ccccc2)CCCC1)Nc1nc(Cl)cc(N2CCOCC2)n1 225972639 QYRWKZXAPGLROY-UHFFFAOYSA-N 431.993 3.765 0 40 IHAB CN(Cc1ccccc1F)C(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1 226026607 MPCBUHOUNHAOMO-UHFFFAOYSA-N 444.503 3.814 0 40 IHAB C[C@@H](C(=O)c1ccc(F)cc1)N1CCC(O)(CN2CCCC[C@H]2c2cccnc2)CC1 253371730 CDHKEHPWTKXFLB-CVDCTZTESA-N 425.548 3.846 0 40 IHAB COc1cccc(-c2cncc([C@H]3CN(C(=O)Cc4c[nH]c5ccccc45)CCO3)n2)c1 257227631 FQEWHGITCSLRER-XMMPIXPASA-N 428.492 3.776 0 40 IHAB Nc1ccc(-c2cccc(C(=O)N3CCOC[C@@H](Cc4cccc5ncccc45)C3)n2)cn1 257265351 LYHVFTDIOWSIFS-SFHVURJKSA-N 439.519 3.605 0 40 IHAB CCCN1CCN(C(=O)c2cnc(C)cn2)[C@@H](Cc2ccc(-c3ccccc3)cc2)C1=O 257286192 PKRQWILBRLYXKW-DEOSSOPVSA-N 428.536 3.758 0 40 IHAB Cc1cc(N(C)C)nc([C@]2(C)CCCN(C(=O)C(O)(c3ccccc3)c3ccccc3)C2)n1 257334241 YFDCVMVSLUBUCG-AREMUKBSSA-N 444.579 3.667 0 40 IHAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@H](CC)c1ccc(OC)cc1 260767014 KTIUAFCNPIFLQN-RTWAWAEBSA-N 434.558 3.516 0 40 IHAB CCc1ccc(N([C@H](C)C(=O)NCCOc2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1 260945341 UKJFSJZBLVMCSH-GOSISDBHSA-N 446.613 3.896 0 40 IHAB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1)Nc1ccccc1Cl 408672746 ZTYAGTDEWAWHRR-IRXDYDNUSA-N 438.867 3.591 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)C2CCCCC2)cc1OC 409004751 QRRISTVJENTXSI-UHFFFAOYSA-N 432.542 3.666 0 40 IHAB COc1cccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3cccc(C)c3)[C@@H]2c2ccc(Cl)cc2)c1 409054371 JFWZJHMWMWGZSE-WSBKAMHLSA-O 448.930 3.673 0 40 IHAB CCOc1ccccc1/C=C1/C(=O)N(c2ccc(Cl)cc2)C(=S)N1CC(=O)OC 409060588 VANQQJIOKUDMDR-ATVHPVEESA-N 430.913 3.886 0 40 IHAB COCCCNC(=O)CSc1nnc(CCc2ccccc2)n1-c1ccc(C)c(C)c1 409216546 MCPCHJHXUNYVON-UHFFFAOYSA-N 438.597 3.914 0 40 IHAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N([C@@H]1CCN(CC(F)(F)F)C1=O)CC2 599200365 HXAMUHPTEHRPPZ-WIYYLYMNSA-N 434.458 3.815 0 40 IHAB O=C(NCCc1ccc(-c2ccco2)s1)C(=O)Nc1cccc(N2CCCCC2=O)c1 2086896772 FCHXCLUACCNRHL-UHFFFAOYSA-N 437.521 3.822 0 40 IHAB CCOc1ccc([C@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3nnnn32)cc1OC 954702 PRMUTNWHHTUACC-IBGZPJMESA-N 440.891 3.661 0 40 IHAB O=C(NC1CCCCC1)[C@H](c1ccncc1)N(C(=O)C(F)(F)F)c1ccc2c(c1)OCO2 1365303 NBJPRELTQDTITP-IBGZPJMESA-N 449.429 3.896 0 40 IHAB O=C(Nc1cccc(Cl)c1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 1401387 CINZBXUZNSLZQR-INIZCTEOSA-N 443.750 3.894 0 40 IHAB O=C(Nc1ccc(C(=O)OCc2cc(=O)n3nc(C4CC4)sc3n2)cc1)c1ccccc1 8606970 QIDHKFPALJKYTK-UHFFFAOYSA-N 446.488 3.638 0 40 IHAB Cc1cccc2cc(CN(Cc3cccs3)C(=S)NC[C@@H]3CCCO3)c(=O)[nH]c12 8686606 JMKMIHCFMMZOES-SFHVURJKSA-N 427.595 3.954 0 40 IHAB CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@H](c2cc(OC)c(OC)c(OC)c2)N3)C1 8722360 XZYQNPRZDUHCFV-SFHVURJKSA-N 447.513 3.717 0 40 IHAB COc1cccc(NC(=O)CSc2nc(CC(=O)NCc3ccc(F)cc3)cs2)c1 8850930 PHQZPFUAQCWQFD-UHFFFAOYSA-N 445.541 3.881 0 40 IHAB Cc1cccc(NC(=O)[C@H](C)OC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)c1 8889511 AKBNZNSUFSEMGN-AWEZNQCLSA-N 439.537 3.675 0 40 IHAB C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)c2cccc(Br)c2)C1=O 8939961 OATQYBFIEMQWAP-NRFANRHFSA-N 427.298 3.588 0 40 IHAB CN(CC(=O)NCc1ccco1)C(=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 8993838 LXBNGDZGHMTSSE-UHFFFAOYSA-N 432.455 3.660 0 40 IHAB Cc1sc2nc(CN3CCC(C)CC3)nc(N3CCN(c4cnccn4)CC3)c2c1C 9384586 SRCMYIJFZPPIAA-UHFFFAOYSA-N 437.617 3.657 0 40 IHAB CCOC(=O)c1c(NC(=O)CN2C(=O)CCSc3ccccc32)sc2c1CCC2 9414473 CARQFGPLKORLDW-UHFFFAOYSA-N 430.551 3.881 0 40 IHAB CCCN1C(=O)[C@@]2(c3ccccc31)c1c(oc3ccc(C)cc3c1=O)C(=O)N2CCCOC 9431973 OKHSGOGCDWPTGG-AREMUKBSSA-N 446.503 3.594 0 40 IHAB Cc1ccc(-n2c(=O)c3oc4ccccc4c3n(CC(=O)Nc3ccc(F)cc3)c2=O)cc1 9603206 WPFQFPCVVKIAQP-UHFFFAOYSA-N 443.434 3.985 0 40 IHAB CN(Cc1ccccc1)C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 9678789 PQVCTOUFFRBORF-UHFFFAOYSA-N 434.867 3.783 0 40 IHAB O=C(CNc1ccccc1C(=O)Nc1ccccc1)Nc1ccc(N2CCOCC2)cc1 9782082 GYTAHKDAVKLNMP-UHFFFAOYSA-N 430.508 3.826 0 40 IHAB COc1ccc(NC(=O)c2ccc(N[C@H]3CC(=O)N(c4ccc(OC)cc4)C3=O)cc2)cc1 9863796 DJTHEBNQHWFBNU-QFIPXVFZSA-N 445.475 3.700 0 40 IHAB CCN(CC)C(=O)c1ccccc1NC(=O)[C@@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O 10369947 JLFUFUKVURSKFW-GOSISDBHSA-N 445.585 3.579 0 40 IHAB CN1CCCN(C(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)c2nc3ccccc3nc21 10934793 SGINGPKOKNMXSD-UHFFFAOYSA-N 442.498 3.930 0 40 IHAB CCOc1ccc(NC(=O)CSc2ncnc3c2nnn3Cc2ccccc2F)cc1 11758528 GNWUXAOFPVFHIH-UHFFFAOYSA-N 438.488 3.538 0 40 IHAB COc1ccccc1OCC(=O)NCc1ccc(-c2ncncc2-c2cc(C)no2)cc1 12158943 RYNRMCMMRQQWPY-UHFFFAOYSA-N 430.464 3.811 0 40 IHAB COC(=O)c1cc(OCC(=O)Nc2ccccc2SC(F)F)cc(C(=O)OC)c1 12259859 RVOUUOJUNKEXQI-UHFFFAOYSA-N 425.409 3.592 0 40 IHAB COc1ccc2cc([C@H](c3nnnn3C3CCCCC3)N3CCC[C@@H](C)C3)c(=O)[nH]c2c1 12466258 DPDOTMYRNQESOQ-OPAMFIHVSA-N 436.560 3.850 0 40 IHAB O=c1c(Cl)c(N2CCN(c3ccccc3)CC2)cnn1CCOc1ccc(Cl)cc1 12588788 JOZPGCHDSNNJJO-UHFFFAOYSA-N 445.350 3.956 0 40 IHAB COc1ccccc1C(=O)N(Cc1ccco1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 12645468 YQMXBGPKFNISJL-UHFFFAOYSA-N 432.432 3.701 0 40 IHAB CCOc1ccccc1[C@@H](C(=O)NC(C)(C)C)N(C(=O)c1csnn1)C1CCCC1 12873622 VVYSBVFIBDTWGV-IBGZPJMESA-N 430.574 3.978 0 40 IHAB O=C(CCC(=O)N1CCC(c2ccccc2)=N1)Nc1ccc(I)cc1 12938121 RFEOEJFUAFDVPY-UHFFFAOYSA-N 447.276 3.647 0 40 IHAB O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCN(Cc2nc3ccccc3s2)CC1 12973523 ZIDDYVDRPZSOIW-UHFFFAOYSA-N 441.500 3.822 0 40 IHAB CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)c1 13163638 BTWUKMJIBFFXLK-QGZVFWFLSA-N 437.496 3.704 0 40 IHAB COc1ccc(OC)c([C@@H]2CC(=O)Nc3nc(SCc4cccc(F)c4)[nH]c(=O)c32)c1 13567399 SXHRWJMYQYHEBZ-INIZCTEOSA-N 441.484 3.693 0 40 IHAB O=C1C[C@H](c2ccc3c(c2)OCO3)c2c(nc(SCc3cccc(Cl)c3)[nH]c2=O)N1 13567428 JFNZUCTVPHOLOF-CQSZACIVSA-N 441.896 3.918 0 40 IHAB Cc1cc(N(CC(=O)N2c3ccccc3C[C@H]2C)S(C)(=O)=O)ccc1Br 13648683 RIFKJTRENUSLKZ-CQSZACIVSA-N 437.359 3.501 0 40 IHAB COc1ccc([C@H]2c3cc(OC)c(OC)cc3CCN2C(=S)NC2CC2)cc1OC 13719950 IFUSZGUTQBEVSQ-QFIPXVFZSA-N 428.554 3.705 0 40 IHAB O=C(C1CCN(CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)CC1)N1CCCCCC1 14245552 RSIWSXNTTVKVHE-UHFFFAOYSA-N 438.355 3.662 0 40 IHAB COc1ccc(-c2nnc(CN(Cc3ccco3)S(=O)(=O)c3ccc(F)cc3)o2)cc1 14307568 LSMLOXOPNSRXBZ-UHFFFAOYSA-N 443.456 3.868 0 40 IHAB COc1ccc(C)cc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 15397998 PCGHMXRQETZLHT-UHFFFAOYSA-N 428.485 3.977 0 40 IHAB COc1ccccc1NC(=O)c1c(NC(=O)CN2CCOCC2)sc2c1CCCCC2 15946958 QZLBNHQMIMVICU-UHFFFAOYSA-N 443.569 3.549 0 40 IHAB COc1cc(Cl)c(C)cc1N1C(=O)[C@@H]2ON=C(c3ccc(Br)cc3)[C@H]2C1=O 16011586 SECGSVQQLYOHTO-NVXWUHKLSA-N 449.688 3.712 0 40 IHAB COC(=O)c1cc(-c2ccco2)nc2c1c(-c1cccs1)nn2[C@@H]1CCS(=O)(=O)C1 16850657 GYPASJQUZNYVQK-GFCCVEGCSA-N 443.506 3.566 0 40 IHAB CN(Cc1nccn1C)c1nc(CN2CCOCC2)nc2scc(-c3cccs3)c12 18060215 BJPBQEVKPLCGAQ-UHFFFAOYSA-N 440.598 3.622 0 40 IHAB CC[C@@H](NC(=O)COc1ccc(I)cc1)c1ccc(OC)cc1 18131570 HIQDEEJMZWYCGZ-QGZVFWFLSA-N 425.266 3.946 0 40 IHAB COc1ccc(-c2ncc(CN3CCC(NC(C)=O)(c4ccccc4F)CC3)cn2)cc1 19021175 DYOPKBRBKYETSJ-UHFFFAOYSA-N 434.515 3.919 0 40 IHAB Cc1cc(-c2cnc(NC(C)C)nc2C2CCN(C(=O)c3cc(C4CC4)n[nH]3)CC2)on1 19122994 QEBIQBFDCZBCMV-UHFFFAOYSA-N 435.532 3.881 0 40 IHAB Cc1ccc(-c2nnc([C@H]3CCCN(S(=O)(=O)c4ccc(F)c(F)c4)C3)o2)s1 19217645 PESYTBSBTCVBKP-LBPRGKRZSA-N 425.482 3.953 0 40 IHAB Oc1ccc(N2CCN([C@@H](c3cccs3)c3nnnn3CCc3ccccc3)CC2)cc1 19371475 BEDLASVQJVOIHR-QHCPKHFHSA-N 446.580 3.595 0 40 IHAB aggregator COc1ccc(-c2cnc(N(C)C)nc2[C@H]2CCN(C(=O)CCCc3ccccn3)C2)cc1 19695065 MMBAKCOTZXVITG-FQEVSTJZSA-N 445.567 3.952 0 40 IHAB Cc1nc([C@H]2CCCN2Cc2cnc(N(C)C)nc2)ccc1C(=O)NCc1ccc(F)cc1 19711183 LBHXOSFQXVXBFV-HSZRJFAPSA-N 448.546 3.652 0 40 IHAB COc1cc(C)c(CN2CC[C@@H](c3cc(C(=O)NCCO)c4ccccc4n3)C2)c(C)c1C 19761773 CRCLYQKNTDLUDM-HXUWFJFHSA-N 447.579 3.880 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(F)ccc2C)Cc2ccccc2)cc1 20011135 IKTJFJZJDBZLHQ-UHFFFAOYSA-N 442.512 3.972 0 40 IHAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CSCc1cc(C)cc(C)c1 20038001 CIYMULJIVYKLHD-UHFFFAOYSA-N 436.599 3.871 0 40 IHAB COc1cc([C@H](c2c(O)n[nH]c2C)c2c(C)n[nH]c2O)ccc1OC(=O)c1ccc(C)cc1 20131483 YDDCLIJSHIVCRX-UHFFFAOYSA-N 448.479 3.877 0 40 IHAB COc1cc(/C=C2\CCn3c2nc2cc(C(=O)O)ccc2c3=O)cc(Br)c1O 20987626 GAWOETIZTNUBFY-IZZDOVSWSA-N 443.253 3.516 0 40 IHAB COc1ccc([C@@H](CC(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)NC(C)=O)cc1 21395581 BQZAIWLRPGFYAR-QGZVFWFLSA-N 439.493 3.753 0 40 IHAB Cc1cccc2c(=O)n(CCCC(=O)Nc3ccccc3C(=O)N3CCCCC3)cnc12 21974051 YULQAWXCJJABCS-UHFFFAOYSA-N 432.524 3.750 0 40 IHAB COc1ccc(/C=C2\C[C@H](C)Cc3c2nc2ccccc2c3C(=O)N2CCNC(=O)C2)cc1 22185244 TZHVGXBYOKUJRA-BYFYWULKSA-N 441.531 3.938 0 40 IHAB CCOc1ccccc1N(CC(=O)Nc1ccc(OC2CCCC2)cc1)S(C)(=O)=O 22332872 HOOQNCFGWIGVGR-UHFFFAOYSA-N 432.542 3.811 0 40 IHAB CCc1nc2sc([C@H](c3cccc(Cl)c3)N3CCC(C(=O)OC)CC3)c(O)n2n1 22853591 YHBAIIAKINOEQR-INIZCTEOSA-N 434.949 3.687 0 40 IHAB CCc1ccc([C@@H](c2sc3nc(CC)nn3c2O)N2CCC3(CC2)OCCO3)cc1 22854102 BCOMNIWIEYXZGP-SFHVURJKSA-N 428.558 3.550 0 40 IHAB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)OCCOc2ccccc2F)c1 22992473 GPDUJJLTWQDFAC-UHFFFAOYSA-N 445.468 3.871 0 40 IHAB Cc1sc2nc(CN3CCN(C(=O)CCCC4CCCCC4)CC3)[nH]c(=O)c2c1C 23674836 LLHROFUQOGWMEG-UHFFFAOYSA-N 430.618 3.996 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)oc4c(C)c(C)ccc34)CC2)c(C)c1 23865202 JXPDOSMMTVPRIG-UHFFFAOYSA-N 440.565 3.533 0 40 IHAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CN1C(=O)C(=O)c3ccccc31)CC2 23956463 AJJTURIEULPZSM-XMMPIXPASA-N 428.488 3.838 0 40 IHAB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)Nc2ccc(OC(C)C)cc2)CC1 24611418 QYKAFYIUYZBHFR-UHFFFAOYSA-N 430.570 3.963 0 40 IHAB Cc1cc(C(=O)CN(C)Cc2c(F)cccc2Cl)c(C)n1[C@@H]1CCS(=O)(=O)C1 26481471 OVFLWJHARHMZOO-OAHLLOKOSA-N 426.941 3.572 0 40 IHAB Cc1cccc(-n2c(-c3ccccc3)cnc2SCC(=O)N2CCC[C@H](C(N)=O)C2)c1C 27993153 DDCIXNFPPDLZIR-FQEVSTJZSA-N 448.592 3.972 0 40 IHAB COc1ccc(Oc2ccc(Cl)cc2NC(=O)CCN2C(=O)NC(C)(C)C2=O)cc1 32722077 RYYYFYGBHLQHMI-UHFFFAOYSA-N 431.876 3.800 0 40 IHAB CN(CC(=O)NCCN1C(=O)S/C(=C/c2ccccc2Cl)C1=O)c1ccccc1 33466741 HPWPKIGXLHARBD-QGOAFFKASA-N 429.929 3.629 0 40 IHAB COc1ccc(N(C[C@H](O)CN2[C@@H](C)CCC[C@H]2C)S(=O)(=O)c2ccc(C)cc2)cc1 35590782 DPPITQLJNRVYME-RZUBCFFCSA-N 446.613 3.823 0 40 IHAB CCn1cc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2cn(C(F)F)nc2C)c(C)n1 36615334 KIVPOYHLIYOQEV-UHFFFAOYSA-N 441.479 3.642 0 40 IHAB O=C(NC1CC1)c1ccc(NC(=O)c2ccccc2C(=O)c2ccc3c(c2)OCCO3)cc1 40047002 JIFCYQSLHBSJLN-UHFFFAOYSA-N 442.471 3.833 0 40 IHAB C[C@H](Sc1nnc(COc2ccc(Cl)cc2)n1C)c1nnnn1-c1ccccc1 40127304 MBPYHPFBQWYNCV-ZDUSSCGKSA-N 427.921 3.877 0 40 IHAB Cc1occc1C(=O)Nc1nc(CC(=O)NC[C@H](C(C)C)N2CCC(C)CC2)cs1 40134044 XLRWRYCKRBCIIJ-LJQANCHMSA-N 432.590 3.712 0 40 IHAB CSc1cccc(NC(=O)Cn2nc3c(Sc4cccc(F)c4)nccn3c2=O)c1 49009137 XXDLQQPJYGUFQH-UHFFFAOYSA-N 441.513 3.542 0 40 IHAB COC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 49590354 RFXKGEHXVFKYBC-DEOSSOPVSA-N 444.531 3.593 0 40 IHAB COc1ccccc1N1CCN(Cc2nc(-c3cccc(Br)c3)no2)CC1 58173542 ZZAYVOJKOZFYIG-UHFFFAOYSA-N 429.318 3.830 0 40 IHAB CC[C@@H](C)n1c(SCC(=O)N2CCOc3ccc(C)cc32)nc2cc(C)[nH]c2c1=O 67239053 TWTNUWLPJABQCB-OAHLLOKOSA-N 426.542 3.830 0 40 IHAB COc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccccc2C(F)(F)F)c1C 67323383 QPNSCWRQAOUZJT-UHFFFAOYSA-N 433.390 3.505 0 40 IHAB Cc1nc(SCc2ccccc2)[nH]c(=O)c1CCC(=O)Nc1cnc2c(c1)c(C)nn2C 69950351 QMWSSPJJFOPACC-UHFFFAOYSA-N 448.552 3.532 0 40 IHAB O=C(c1ccc(OC2CSC2)cc1)N1CCC2(CC1)C[C@](O)(c1ccc(F)cc1)CO2 72335507 QOMDMWOIAMCXBK-XMMPIXPASA-N 443.540 3.603 0 40 IHAB O=C(Nc1ccccc1)O[C@H]1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)C1 77200180 VCHCNQKSLKIMJY-PBEJRMEISA-N 439.487 3.855 0 40 IHAB COc1cccc([C@@H]2CC(c3ccc(NS(C)(=O)=O)cc3)=NN2C(=O)C(C)(C)C)c1 79112469 CZAUBOSUMBOUST-FQEVSTJZSA-N 429.542 3.791 0 40 IHAB CSc1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)ccn1 95452247 SPZJLKGCYJXBHB-UHFFFAOYSA-N 445.610 3.722 0 40 IHAB COc1cc2ncn(CCCC(=O)O[C@H](C)c3nc4ccccc4o3)c(=O)c2cc1OC 95462441 FDXYABYHEHJZRU-CQSZACIVSA-N 437.452 3.640 0 40 IHAB COc1ccc(CCc2nc3nccc(-c4ccc5c(c4)OCCCO5)n3n2)cc1OC 96345335 ZOIBEFVIALGGER-UHFFFAOYSA-N 432.480 3.755 0 40 IHAB C[C@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3CC4)c2C(=O)NC2CC2)C1 102340194 IEZGPMAEFGGQJC-LNINBKOHSA-N 428.554 3.617 0 40 IHAB Cc1cccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(Br)cc2C)c1 138947838 LJGZKLYEGRNAPO-UHFFFAOYSA-N 433.302 3.967 0 40 IHAB Cc1cccc(CS(=O)(=O)N2CCC(N3CCC(Oc4ccccc4F)CC3)CC2)c1 217395423 SSOMATQZZCELQU-UHFFFAOYSA-N 446.588 3.972 0 40 IHAB CC[C@H](C(=O)NCCSCc1ccccc1F)N(c1ccc(F)cc1)S(C)(=O)=O 219112356 SSRWIFFGHXKOSB-LJQANCHMSA-N 442.553 3.559 0 40 IHAB CCSc1ccccc1NC(=O)C1=C(C)c2cc(OC)c(OC)cc2N(C)S1(=O)=O 219193934 GTSLCMCIGUXONE-UHFFFAOYSA-N 448.566 3.965 0 40 IHAB CCOC(=O)c1cc(NC(=O)[C@@H](C)N(c2cccc(C)c2)S(C)(=O)=O)ccc1Cl 220148461 IDUJUSJYAZPKSR-CQSZACIVSA-N 438.933 3.618 0 40 IHAB CC[C@H](C(=O)NCc1ccc(Cl)cc1)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 220746760 LMJJYLPJKQNKFT-QGZVFWFLSA-N 445.368 3.863 0 40 IHAB COc1ccccc1N(CCCC(=O)Nc1ccccc1Br)S(C)(=O)=O 222577642 QEKKNRIOUZMCRH-UHFFFAOYSA-N 441.347 3.643 0 40 IHAB COc1cccc(N(CCCC(=O)NCCCc2ccc(Cl)cc2)S(C)(=O)=O)c1 222594356 GXAJDEPGDZSQJV-UHFFFAOYSA-N 438.977 3.644 0 40 IHAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2Cc2cccnc2)N1Cc1cccnc1 223454499 PVHKPIZKPZPVOL-PKTZIBPZSA-N 426.549 3.894 0 40 IHAB COc1ccc(N(CC(=O)NCC2=CCCCC2)S(=O)(=O)c2ccccc2)cc1OC 223496941 LXBVTVSOPGJZPA-UHFFFAOYSA-N 444.553 3.516 0 40 IHAB Cc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc4c(c3)CCC(C)(C)O4)n2)cc1 223776298 QWGKPKQTYKUPSD-UHFFFAOYSA-N 427.526 3.969 0 40 IHAB CC[C@H](C(=O)NCCOc1ccc(C(C)(C)C)cc1)N(c1ccccc1)S(C)(=O)=O 224299318 QLQCPIDUOKIJQH-OAQYLSRUSA-N 432.586 3.724 0 40 IHAB CC[C@@H](C(=O)Nc1nnc(-c2ccccc2)s1)N(c1ccc(C)cc1)S(C)(=O)=O 224421816 FNPHKJPJRMMIOA-KRWDZBQOSA-N 430.555 3.697 0 40 IHAB COc1ccccc1NS(=O)(=O)c1ccc(NS(=O)(=O)Cc2ccccc2C)cc1 224546765 XDRXIFSHDDLPGD-UHFFFAOYSA-N 446.550 3.746 0 40 IHAB Cc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)Cc3ccccc3F)cc2)cc1 224549430 PPUXLYOQQDJIBN-UHFFFAOYSA-N 434.514 3.877 0 40 IHAB CCOc1ccc(N([C@@H](C)C(=O)NCc2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 225622497 RFONDUPOKQKABT-AWEZNQCLSA-N 444.475 3.575 0 40 IHAB COc1ccccc1OC[C@H](C)NC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(C)cc1 225655820 UHSMYFRNWKQION-IGCAKMCNSA-N 434.492 3.951 0 40 IHAB COc1ccc(CNC(=S)Nc2nc(N3CCCCC3)cc(N3CCCC3)n2)cc1 225930181 WUROBINEDWAEMJ-UHFFFAOYSA-N 426.590 3.562 0 40 IHAB CC1(C)Oc2ccc(Cl)cc2[C@H]2OCC3(C[C@@H]21)CN(C(=O)c1n[nH]c2c1CCC2)C3 257290558 QDKURZHLIKBVRJ-OXJNMPFZSA-N 427.932 3.943 0 40 IHAB CCCNC(=O)CCc1c(C)nc2cc([C@@H]3CCCN3Cc3ncccc3C)nn2c1C 257300411 RUDVPJVIWXULPB-QHCPKHFHSA-N 434.588 3.845 0 40 IHAB CCn1nc2c(c1C(=O)N1CCNC(=O)[C@H]1Cc1ccc(-c3cccs3)cc1)CCCC2 257332084 XVRFIITUSXTMLN-OAQYLSRUSA-N 448.592 3.694 0 40 IHAB COC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccc2)c1 408551459 KXFPKBDBYGFPOI-UHFFFAOYSA-N 440.477 3.535 0 40 IHAB Cc1cccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2C)c1 409131546 YDWIHTKBNXQFCO-QGZVFWFLSA-N 437.569 3.962 0 40 IHAB Cc1ccccc1C(=O)N[C@@H](C)c1nnc(SCC(=O)Nc2cccc(C)c2C)n1C 409348441 SRTSGRUMTZLTRF-KRWDZBQOSA-N 437.569 3.962 0 40 IHAB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)cc(OC)c1 409366500 SWFLESWXGOFTJT-VXLYETTFSA-N 426.494 3.996 0 40 IHAB COc1ccc(C(=O)N2CCN(C)[C@@H](c3ccccc3OC)C2)cc1NCc1ccncc1 585262093 VWKAGPHUXCYEMU-HSZRJFAPSA-N 446.551 3.840 0 40 IHAB CN(CC(=O)N1CCC[C@]2(CCCCCOc3ccccc3C(=O)NC2)C1)C1CCCC1 643559646 WOFPGNRSRRZREN-SANMLTNESA-N 441.616 3.852 0 40 IHAB CCc1cccc(C)c1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(OC(C)C)cc2)C1 794294 ZGLMXRRLTFOWEE-LJQANCHMSA-N 438.524 3.879 0 40 IHAB Cc1cc(C)nc(SCc2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2C)n1 882976 QMOCGTYIQWURIZ-UHFFFAOYSA-N 428.587 3.862 0 40 IHAB COc1ccc(-n2nnnc2SCC(=O)c2ccc(NC(=O)CC(C)C)cc2)cc1 3353454 JAGIIAXNGNDERD-UHFFFAOYSA-N 425.514 3.631 0 40 IHAB CCCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H]3CCCc4ccccc43)nnc12 3375282 DEHZXGDOKRZLBQ-IBGZPJMESA-N 447.564 3.740 0 40 IHAB COC(=O)c1ccc(-c2sc3nc(N4CCOCC4)c4c(c3c2N)CC(C)(C)OC4)o1 4339009 MJPOGLKYICRFMO-UHFFFAOYSA-N 443.525 3.613 0 40 IHAB CC[C@@H](N[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(C)cc1 8128384 SUCWGUJNNSZYQC-XMSQKQJNSA-N 429.586 3.847 0 40 IHAB CN(C)c1ccc(NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@@H](C(C)(C)C)C4)cc1 8613807 KPCWKAQLONBFIH-CQSZACIVSA-N 439.585 3.709 0 40 IHAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3cccc(S(N)(=O)=O)c3)c2n1 8687750 VPQAFOYBFGVMFO-UHFFFAOYSA-N 440.308 3.515 0 40 IHAB O=C(CCN1C(=O)CCC1=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1 8750250 SFLJROUEHMSEKY-UHFFFAOYSA-N 445.353 3.615 0 40 IHAB Cc1ccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(CCc3ccccc3)c(=O)n2C)cc1C 8972446 YEOQIIULOSKCDF-KRWDZBQOSA-N 443.551 3.544 0 40 IHAB O=C(NCCc1c[nH]c2ccc(Cl)cc12)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 9134462 PTLSESFKQIJZQU-QGZVFWFLSA-N 445.972 3.581 0 40 IHAB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)c2ccc(OC)c(Br)c2)c1C 9204531 IYVKHSRIHITJDA-UHFFFAOYSA-N 438.274 3.619 0 40 IHAB COc1ccc([C@H]2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2c2nnc(C)s2)cc1 9348868 MGEBWTKKCVQFLO-SFHVURJKSA-N 435.461 3.720 0 40 IHAB O=C(CSc1ncnc2[nH]ncc12)Nc1nc(-c2cccc(Br)c2)cs1 9444075 ZBYNHBLIBWDYEN-UHFFFAOYSA-N 447.343 3.970 0 40 IHAB Cc1ccccc1-n1nc2c(c1NC(=O)c1ccc(C(F)(F)F)cc1)CS(=O)(=O)C2 9518011 WKYBAGWBXVRIAZ-UHFFFAOYSA-N 435.427 3.880 0 40 IHAB COc1cc(CNC(=O)CN2C(=O)CCOc3ccccc32)ccc1OCc1ccccc1 9951553 SKGQAOXFHGQDHP-UHFFFAOYSA-N 446.503 3.706 0 40 IHAB COc1ccc(CNC(=O)c2ccc3c(c2)C[C@@H](C)N3S(=O)(=O)c2ccccc2)cc1 10324953 MZDDOLIGWUIRRL-QGZVFWFLSA-N 436.533 3.765 0 40 IHAB Cc1cccc(CSCCNC(=O)[C@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)c1 10371615 PAFUGHGXHDLLKJ-IBGZPJMESA-N 434.627 3.816 0 40 IHAB O=C1CCCN1c1ccc(S(=O)(=O)N[C@H](Cc2ccsc2)c2cccnc2)cc1 12228769 VHFXKPICVHDEJM-HXUWFJFHSA-N 427.551 3.532 0 40 IHAB O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1C[C@@H](O)COc1ccc(Cl)cc1Cl 12870032 IUTMXAMKFLCQOP-QVKFZJNVSA-N 435.307 3.517 0 40 IHAB Cc1cccc(CCN(C(=O)c2csnn2)[C@H](C(=O)NC(C)(C)C)c2ccccn2)c1 12872782 ZDENRZDRPCTTOL-FQEVSTJZSA-N 437.569 3.582 0 40 IHAB Cc1ccc(OCC(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)c(Br)c1 12979141 OPXMWMOYGWRWBD-OAHLLOKOSA-N 429.318 3.937 0 40 IHAB CCOc1ccc(NC(=O)c2nc(-c3ccco3)sc2C)cc1S(=O)(=O)N(C)C 13004950 KRJSRXTXGWRHSN-UHFFFAOYSA-N 435.527 3.613 0 40 IHAB O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(F)(F)F)[C@H]1CC=CCC1 13029920 NKTDGLNFGJEYTE-AWEZNQCLSA-N 432.464 3.707 0 40 IHAB CCC[C@H](c1nnnn1C1CCCC1)N(CCCO)Cc1cc2cc(C)ccc2[nH]c1=O 13501022 BJGYYJDXDHBTQN-JOCHJYFZSA-N 438.576 3.664 0 40 IHAB Cc1ccccc1-c1ccc(N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)nn1 13663863 QRJYMNGMBHVBMX-UHFFFAOYSA-N 428.945 3.616 0 40 IHAB COc1ccc(C)cc1NC(=O)N1CCN(c2ccc(-c3ccc4c(c3)OCO4)nn2)CC1 13665211 CVXLSGQLLLTRPJ-UHFFFAOYSA-N 447.495 3.543 0 40 IHAB O=C(N[C@H]1CCN(Cc2ccccc2)C1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 14043248 VGKNAKJTCNNCDS-FQEVSTJZSA-N 432.490 3.708 0 40 IHAB C[C@H]1C(=O)N(CC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)C(=O)N1c1ccccc1 14171091 VQSRDBGXYVSVMU-YJBOKZPZSA-N 448.504 3.876 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2Cc1nc(-c2ccc(C)cc2)no1 15400489 FHTFDXMAVKSBKO-UHFFFAOYSA-N 426.542 3.638 0 40 IHAB COc1ccc(OC)c(C2=NO[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)c2cccs2)c1 15972563 QAPLYOLNSIOZEF-WMZHIEFXSA-N 434.473 3.846 0 40 IHAB O=C(COc1ccc(Cl)cc1Cl)N(Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 16750680 ZXMULIJOKIBURX-HNNXBMFYSA-N 446.327 3.727 0 40 IHAB COc1cc(NS(=O)(=O)Cc2ccccc2)c(OC)cc1NC(=O)c1ccccc1 17094874 CNZFSLFFXWOPBB-UHFFFAOYSA-N 426.494 3.898 0 40 IHAB O=C(NCc1ccccc1)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCC2 17100448 YSXAHZNACLAKRF-PDWMJMLSSA-N 436.533 3.628 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc2nc(O)cc(C(=O)NCCC3=CCCCC3)c2c1 17335020 XTYOKSPPADPVHS-UHFFFAOYSA-N 431.558 3.591 0 40 IHAB CS(=O)(=O)c1cc(C(=O)OCc2cc(Cl)c3c(c2)OCCCO3)ccc1Cl 17739969 YJLPATDBNWUBEL-UHFFFAOYSA-N 431.293 3.915 0 40 IHAB O=C(NCCc1cccs1)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 17909409 SZVVMSKWHBJQNX-UHFFFAOYSA-N 447.409 3.815 0 40 IHAB CCOc1ccc(CC(=O)N2CCC(c3cc(N(C)C)nc(-c4cccnc4)n3)CC2)cc1 19532809 QKIXKZWGAGSYNZ-UHFFFAOYSA-N 445.567 3.952 0 40 IHAB CC(=O)Nc1ccc2nc(SCC(=O)N3CCN(Cc4ccccc4)CC3)sc2c1 19913506 VGCZTTFSZAHNRD-UHFFFAOYSA-N 440.594 3.691 0 40 IHAB CS(=O)(=O)N(CC(=O)Nc1ccc(F)c(F)c1F)Cc1ccc(Cl)c(Cl)c1 20015452 RMNYAANTZGKDFL-UHFFFAOYSA-N 441.258 3.811 0 40 IHAB COC(=O)[C@H](CC(C)C)NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(Cl)c1Cl 20714514 AAVUWMPENOWAJX-MAUKXSAKSA-N 439.343 3.961 0 40 IHAB CCN1C(SCC(=O)Nc2ccc(Cl)cc2F)=NS(=O)(=O)c2ccccc21 21657645 SPCFZMHGANGCEE-UHFFFAOYSA-N 427.910 3.736 0 40 IHAB CC(C)Oc1cccc(CNC(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)c1 22365960 KOTVCSWATTZBEP-UHFFFAOYSA-N 445.368 3.863 0 40 IHAB C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F)c1ccc(F)cc1 22621473 QIWVAKXXLGRKRW-KKSFZXQISA-N 444.503 3.732 0 40 IHAB CC(C)c1ccc(S(=O)(=O)N2CCN(Cc3ncc(-c4ccccc4)o3)CC2)cc1 23882427 CLOKDWHBBGWZIZ-UHFFFAOYSA-N 425.554 3.972 0 40 IHAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1)N1CCN(C[C@H]2CCCO2)CC1 23907843 QGNACUDALGBFGV-AKNQKSQZSA-N 442.563 3.876 0 40 IHAB COC(=O)c1ccccc1N(C)S(=O)(=O)c1cc(Cl)cc(Br)c1OC 24375592 VEHVFRCTKQZYLU-UHFFFAOYSA-N 448.722 3.723 0 40 IHAB CCOc1cc(/C=C/C(=O)NCc2ccccc2CN2CCOCC2)cc(Cl)c1OC 24379285 PJVJIZUTYZWKBA-CMDGGOBGSA-N 444.959 3.909 0 40 IHAB O=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)NCc1coc(-c2cccs2)n1 26065184 RFZPBSFUDMVSAD-UHFFFAOYSA-N 428.558 3.677 0 40 IHAB CSc1ccc(S(=O)(=O)Nc2ccc(C(C)C)cc2)cc1C(=O)N1CCOCC1 26116993 JDTMHSFYIYBNSM-UHFFFAOYSA-N 434.583 3.805 0 40 IHAB Nc1nn(CC(=O)c2ccc(Cl)c(C(F)(F)F)c2)c(=S)n1Nc1ccncc1 28535049 YGJHRVREUVUMRD-UHFFFAOYSA-N 428.827 3.822 0 40 IHAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3cccc(/C=C/c4ccccn4)c3)C2=O)cc1 32976409 SMHSUPNBBNKCDL-XZXPPUMWSA-N 440.503 3.966 0 40 IHAB CCOc1ccc(S(=O)(=O)NCCCCN2CCO[C@H](c3ccccc3)C2)cc1C 36700431 PRSSDVMDZCQNMZ-QHCPKHFHSA-N 432.586 3.526 0 40 IHAB CCOc1cc([C@@H]2[C@H](C(=O)Nc3ccc(Cl)cc3)[C@H](C)Nc3ncnn32)ccc1O 36701655 WBBMFNAKLGKZHU-GESALYCCSA-N 427.892 3.694 0 40 IHAB CC(C)c1cccc(NC(=O)CS(=O)(=O)Cc2ccc(C(=O)N3CCCC3)cc2)c1 40106298 YSXJJICKZIAHCE-UHFFFAOYSA-N 428.554 3.600 0 40 IHAB CC[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1)c1ccccc1 44903485 MTRSTBYOTXSRKH-PKTZIBPZSA-N 428.598 3.929 0 40 IHAB COC(=O)COc1cccc(NC(=O)[C@H]2CCCN(c3nc4ccccc4s3)C2)c1 48345707 VFEIWBVZWCXFBE-HNNXBMFYSA-N 425.510 3.703 0 40 IHAB COc1ccc(NC(=O)[C@H]2C[C@@H]3CCCN3[C@]23C(=O)Nc2c(Cl)cc(C)cc23)cc1 57122063 FSXFFARJUOASMZ-HOSQHVHZSA-N 425.916 3.927 0 40 IHAB C[C@@H](Nc1ccc(N2CCCC2=O)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1 57845227 AYSCCIMYAWHSHB-QGZVFWFLSA-N 426.948 3.616 0 40 IHAB CC[C@H]1CCCCN1C(=O)CSc1nc(O)c2c(n1)CCN(Cc1ccc(F)cc1)C2 67291520 PQUAYDBACTZYDN-SFHVURJKSA-N 444.576 3.763 0 40 IHAB CCC(CC)C(=O)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccc(OC)cc2)cc1 67896333 BBZNBMUNAIMXMW-ISKFKSNPSA-N 440.540 3.531 0 40 IHAB biogenic,in-vitro COc1ccc(Cn2nc3nnc(-c4ccc(F)cc4)c(-c4ccc(F)cc4)n3c2=O)cc1 72339920 DUKBQBSWTCSWIX-UHFFFAOYSA-N 445.429 3.955 0 40 IHAB COc1cc2c(cc1OC)[C@H]1c3ccccc3N(CC(=O)N3CCCC[C@@H]3C)C(=O)N1CC2 72342048 AKWSFBXTLTWRBN-SSOJOUAXSA-N 449.551 3.992 0 40 IHAB Cc1nc(=O)c2cc(Cl)ccc2n1C1=CCN(C(=O)c2cc(-c3ccco3)n[nH]2)CC1 72348298 VHUCUWMKVUYJEI-UHFFFAOYSA-N 435.871 3.728 0 40 IHAB Cn1ncnc1COc1ccc(S(=O)(=O)Oc2ccc(Oc3ccccc3)cc2)cc1 89741177 GBRMNKQACTYGAI-UHFFFAOYSA-N 437.477 3.954 0 40 IHAB C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2cnoc2-c2ccc(Cl)cc2)C1=O 89917109 KFRMSGLERXWVLK-OAQYLSRUSA-N 425.828 3.691 0 40 IHAB O=C(Nc1nc2c(s1)CN(C(=O)C1(c3ccccc3)CCOCC1)CC2)c1ccoc1 90582667 PSLLXWIMIQPUJG-UHFFFAOYSA-N 437.521 3.622 0 40 IHAB O=C(N[C@@H]1CC(=O)N(CC(F)(F)F)C1)[C@@H]1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 95465239 WNJGZCJKPUKVNI-HZSPNIEDSA-N 442.869 3.770 0 40 IHAB CC(C)[C@H](NC(=O)Cc1ccc(F)cc1)c1cc(O)n2nc(C3CCOCC3)cc2n1 100730025 BOGVWSZSWICIMD-QHCPKHFHSA-N 426.492 3.524 0 40 IHAB O=C(Nc1ccccc1Cl)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 102086629 XSYDMVWXURZHAF-FLRAOKLBSA-N 446.934 3.943 0 40 IHAB CC(=O)c1ccc(N2CCN(C(=O)CSC(=S)N3[C@@H](C)CCC[C@H]3C)CC2)cc1 215754248 DFFXWCRKAUSMKX-CALCHBBNSA-N 433.643 3.819 0 40 IHAB Cc1cccc(CCCNC(=O)[C@H](C)N(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1 220201333 FUCKUEBTVHKUHW-INIZCTEOSA-N 442.503 3.917 0 40 IHAB CCOc1ccc(CNC(=O)[C@H](C)N(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 220201816 JAJWHYYWZOMSTR-AWEZNQCLSA-N 444.475 3.575 0 40 IHAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NC[C@H]1CCCO1 223124555 JCUMVEOSJSVACB-FGZHOGPDSA-N 428.960 3.985 0 40 IHAB OCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1nc2ccccc2s1 223607488 SDPQRNNRNXWNJN-UXHICEINSA-N 435.578 3.837 0 40 IHAB CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN1C(=O)c2cccc3cccc1c23 223866466 MKGOMZBFVKWFKT-KRWDZBQOSA-N 447.510 3.883 0 40 IHAB Cc1cc(C)cc(OCCNC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c1 224068390 YAMQWAYYPSQWFC-UHFFFAOYSA-N 445.368 3.571 0 40 IHAB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2C)cc1C 225265089 BFTUKGDFAFXMKR-DHIUTWEWSA-N 449.580 3.799 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCSCc3ccccc3C)C2)cc1 225518765 KAABYYATRIZAJC-HXUWFJFHSA-N 446.638 3.754 0 40 IHAB O=C(NCCCc1ccc(Cl)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 225537516 IVXLFPNVBKEYNT-KRWDZBQOSA-N 438.952 3.629 0 40 IHAB CC[C@H](C(=O)NCc1cccc(C(F)(F)F)c1)N(c1cccc(OC)c1)S(C)(=O)=O 225861237 WYQFPKOOIRZSGD-GOSISDBHSA-N 444.475 3.575 0 40 IHAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2cnc(O[C@H]3CCOC3)c(Cl)c2)CC1 253402622 OMMPOWQIZOMDTO-KRWDZBQOSA-N 436.339 3.827 0 40 IHAB C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 253532935 GHCZAUBVMUEKKP-RFLJZQSFSA-N 449.632 3.594 0 40 IHAB COCc1ccc(OC)c(CN2CCO[C@@H](c3cccc(Nc4cc(C)n(C)n4)n3)C2)c1 257330692 XPMVPKOBPRHPBS-JOCHJYFZSA-N 437.544 3.596 0 40 IHAB O=C(Nc1cccc(F)c1)c1nnc2n1C[C@@H]1CN(Cc3ccccc3Cl)C[C@H]1C2 306132781 LSBDLSCRGZKHOH-CVEARBPZSA-N 425.895 3.627 0 40 IHAB COc1ccc(-n2nccc2-c2nc(C(=O)NCc3ccc(C)cc3)c3cnccn23)cc1 306138329 RUZMJGUAGZPABH-UHFFFAOYSA-N 438.491 3.829 0 40 IHAB C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408641900 DIKAFNISVXUFSU-XHXDDVKMSA-N 448.906 3.776 0 40 IHAB COC(=O)c1cccc(NC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)c1C 408678091 FMFYYBMDNSZJNF-UHFFFAOYSA-N 438.933 3.620 0 40 IHAB O=C(Nc1ccccc1F)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 408970551 BFLCZNTUJIGIAQ-UHFFFAOYSA-N 441.322 3.628 0 40 IHAB O=C(NC[C@H]1CCN(c2cccc(Br)c2)C1)N1CCC[C@@H](n2ccnc2)C1 590861026 GINMVXJCWLBINU-VQIMIIECSA-N 432.366 3.519 0 40 IHAB Cc1cnc(Nc2cccc([C@H]3CN(C(=O)CN4CCc5ccccc5C4)CCO3)n2)s1 643550636 LJGRHWWFFZSJRE-OAQYLSRUSA-N 449.580 3.548 0 40 IHAB Cc1noc(C)c1C(=O)N1CCC2(CCCCCc3ccccc3OCCNC2=O)CC1 643571966 VDYBSAZTGKILNR-UHFFFAOYSA-N 439.556 3.826 0 40 IHAB CC1(C)[C@@H](c2cc(F)c(F)c(F)c2)CCN1C(=O)c1ccc(C(=O)N2CCOCC2)cc1 1538265706 UAJKIVPBZNGZKB-GOSISDBHSA-N 446.469 3.985 0 40 IHAB COc1c2c(c(Br)c3c1[C@@H](CC(=O)N1CCCCCC1)N(C)CC3)OCO2 1547138634 DIGYRENXQAEKPS-CQSZACIVSA-N 439.350 3.508 0 40 IHAB biogenic COc1ccc(CNC(=O)c2nc3c(s2)CCN(C(=O)CC2=CCCCC2)CC3)cc1 2055793540 RJZLTTIKGXKSHT-UHFFFAOYSA-N 439.581 3.899 0 40 IHAB Cc1ccc(C)c2[nH]c(=O)c(CN(C[C@H]3CCCO3)S(=O)(=O)c3ccc(F)cc3)cc12 914784 ZJLRTWUAAIQHAK-LJQANCHMSA-N 444.528 3.654 0 40 IHAB O=C(COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)Nc1ccccc1Cl 1942326 YSQFBOLQOPXLCZ-UHFFFAOYSA-N 434.835 3.936 0 40 IHAB CCOc1ccc(C(=O)NCC(=O)OCc2cccc(C(F)(F)F)c2)cc1OCC 3304229 DSPJHPMUNFAKDQ-UHFFFAOYSA-N 425.403 3.976 0 40 IHAB CCOC(=O)CN(C(=O)CSc1nnc(-c2ccccc2C)o1)c1ccc(F)cc1 6546382 HERLDNXXAPNUOZ-UHFFFAOYSA-N 429.473 3.873 0 40 IHAB COCCCn1c(C(=O)Nc2cc(Cl)ccc2OC)cc2c(=O)n3ccccc3nc21 9187201 IBTOIMBCNQLHFV-UHFFFAOYSA-N 440.887 3.600 0 40 IHAB C[C@@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3)C(=O)NC[C@H](O)c1ccccc1 9187492 IHGASBHTRQLXPJ-YJYMSZOUSA-N 427.884 3.552 0 40 IHAB NC(=O)COc1ccc(/C=C2/SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1 9323290 LSWAXGXQSBNHNN-CXUHLZMHSA-N 447.310 3.550 0 40 IHAB O=C(CCSc1nc(Cl)nc2nc[nH]c12)NCCc1c[nH]c2ccc(Cl)cc12 9421112 PNANIMAHMQCRJT-UHFFFAOYSA-N 435.340 3.982 0 40 IHAB Cc1cccc(CN2C(=O)[C@@](O)(CC(=O)c3ccc4c(c3)OCCO4)c3ccccc32)c1 9487646 CCLDIIVDDBKYBP-AREMUKBSSA-N 429.472 3.774 0 40 IHAB COc1ccc(F)cc1C(=O)CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O 9502359 RTZRRHDJHRGNJV-VWLOTQADSA-N 432.451 3.707 0 40 IHAB NS(=O)(=O)c1ccc(CNC(=O)c2ccccc2SCc2ccccc2F)cc1 9591819 IZRMNJPPJMARHV-UHFFFAOYSA-N 430.526 3.695 0 40 IHAB Cc1nnc(SCC(=O)Nc2ccccc2C(=O)NC2CCCC2)n1-c1ccccc1 9632675 VXYAOBYQEZNSRD-UHFFFAOYSA-N 435.553 3.979 0 40 IHAB Cc1ccc(OCCSC(Nc2cccc(C)c2)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 9974043 LOZHYOAPNVKELS-UHFFFAOYSA-N 439.537 3.790 0 40 IHAB COc1ccc(Br)cc1S(=O)(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 10629828 GLNJYPMXYLKFGH-HNNXBMFYSA-N 436.331 3.860 0 40 IHAB CCn1c(NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)nc2ccccc21 10650983 JTXHVZRPAPVWIA-LJQANCHMSA-N 428.558 3.696 0 40 IHAB CCOc1ccc(OCCNC(=O)CSc2nnc(-c3ccccc3C)n2CC)cc1 12762236 URSLLYPADAQZSW-UHFFFAOYSA-N 440.569 3.959 0 40 IHAB CN(c1ccc(OCC(=O)Nc2ccc(F)cc2F)cc1)S(=O)(=O)c1cccs1 12977093 RHCASIBXCKUJAT-UHFFFAOYSA-N 438.477 3.869 0 40 IHAB COc1ccccc1N(CC(=O)N1CCCCCC1)S(=O)(=O)c1ccc(Cl)cc1 13039437 IELQPBMCAMVCLE-UHFFFAOYSA-N 436.961 3.947 0 40 IHAB O=C(OCc1cc(Br)cc2c1O[C@H](c1ccccc1)OC2)C1=COCCO1 13070502 HRMSJMHPWNBUPY-HXUWFJFHSA-N 433.254 3.988 0 40 IHAB C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2ccc(-c3nccs3)cc2)C1=O 13109468 SOMKNZWMEXNJGM-HSZRJFAPSA-N 434.521 3.692 0 40 IHAB Cc1cc(C)n2nc(SCC(=O)N[C@H](c3ccc4c(c3)OCCCO4)C(C)C)nc2n1 13163782 QEDJOYZTEDVPEB-FQEVSTJZSA-N 441.557 3.508 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCc3ccc4c(c3)OCO4)c2C)cc1 13683380 YRFYNKIRKZWQHG-UHFFFAOYSA-N 438.505 3.763 0 40 IHAB O=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1CN1CCC[C@@H](C(F)(F)F)C1 14068132 CODOVNOUHLWOIS-KNQAVFIVSA-N 431.458 3.908 0 40 IHAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)Cn1nc(-c2ccccc2)oc1=S 14250483 YSUONSBLFCSWOS-OAHLLOKOSA-N 437.525 3.526 0 40 IHAB Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c(Br)c1 15737916 IBVMHVCLPKHVGC-UHFFFAOYSA-N 431.739 3.670 0 40 IHAB Cc1ccc(C(=O)N2CCC[C@H](c3nc4c(c(=O)[nH]3)CN(Cc3cccs3)CC4)C2)cc1 19135211 AIPFSPLTDSUUJE-IBGZPJMESA-N 448.592 3.718 0 40 IHAB COc1ccc(Cn2nnnc2[C@@H](c2ccc(C)cc2)N2CCN(C3CCCC3)CC2)cc1 19367034 YBVAHNMGJMBORJ-RUZDIDTESA-N 446.599 3.688 0 40 IHAB O=C(CC1(O)CCCCC1)N1CC[C@H](c2ccc3c(NCc4ccccc4)n[nH]c3n2)C1 19705065 ATCUBIZMHSZHKO-IBGZPJMESA-N 433.556 3.971 0 40 IHAB Cc1nn(C)cc1CN1CCC[C@@H]1c1nc(C)c2c(n1)N(Cc1cccc(F)c1)C(=O)CC2 19740665 LDCYUWHKANYOHD-JOCHJYFZSA-N 448.546 3.783 0 40 IHAB Cc1ncsc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2c(C)noc2C)CC1 19746409 VFDCBTRUIOUDAY-IBGZPJMESA-N 430.574 3.532 0 40 IHAB COc1ccc(NC(=O)c2cnc([C@H]3CCN(C(=O)Cc4cccc(F)c4)C3)nc2C)cc1 19766233 DDLOVNRWUYTTRC-SFHVURJKSA-N 448.498 3.744 0 40 IHAB COc1cc(OC)cc(-c2n[nH]c(SCc3nnc(-c4ccccc4OC)o3)n2)c1 19928982 UHTUBJQCJGWTTR-UHFFFAOYSA-N 425.470 3.840 0 40 IHAB CC(C)c1nnc2ccc(N3CCC(C(=O)Nc4ccc(Br)cc4)CC3)nn12 20725641 NFYWKOWSUASAHR-UHFFFAOYSA-N 443.349 3.865 0 40 IHAB Cc1noc(C)c1CSc1ncccc1C(=O)NCC(C)(C)N1C[C@H](C)O[C@H](C)C1 21065459 JGCBJRFGIICEPZ-GASCZTMLSA-N 432.590 3.596 0 40 IHAB CCCCCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OCC)c(C)c1 22268609 IMJXKWLQSKFYOC-OAQYLSRUSA-N 432.586 3.590 0 40 IHAB CC(C)N(C(=O)Cn1nc(C2CC2)c2cnn(-c3cccc(Cl)c3)c2c1=O)C(C)C 22767995 NCRZFTUROWGYSY-UHFFFAOYSA-N 427.936 3.758 0 40 IHAB Cc1ccc(NC(=O)C(=O)NC[C@H](c2cccnc2)N2CCc3ccccc3C2)c(C)c1 22906742 OUECEQOMVUDCFC-XMMPIXPASA-N 428.536 3.553 0 40 IHAB Cc1cccc(-c2nnc([C@H](C)N3CCN(CC(=O)Nc4c(C)cccc4C)CC3)o2)c1 22930336 LCZVBKAHKVBYNO-FQEVSTJZSA-N 433.556 3.979 0 40 IHAB Cc1sc2nc(CN3CCOCC3)nc(Nc3ccc4c(c3)NC(=O)[C@@H](C)O4)c2c1C 23990183 DFWLROPKLZZGBC-CYBMUJFWSA-N 439.541 3.603 0 40 IHAB Cc1ccc([C@H]2C(S(=O)(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCN(C)C)cc1 24193005 KOYSGYVSBDTDKX-IBGZPJMESA-N 448.972 3.727 0 40 IHAB O=C(CSc1nnc(-n2cccc2)n1Cc1ccccc1)Nc1ccc2c(c1)OCO2 28534841 BJHLRTYSERHZGO-UHFFFAOYSA-N 433.493 3.577 0 40 IHAB CC[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 30852935 LWYVPTYKYAPTJL-LJQANCHMSA-N 449.960 3.650 0 40 IHAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1sc2cccc(F)c2c1C 32739277 FHFJDVZRHOGTBC-UHFFFAOYSA-N 425.485 3.874 0 40 IHAB CCOC(=O)[C@@H](NC(=O)c1cc(F)cc(F)c1)c1c(C)nn(-c2ccc(F)cc2)c1C 32753610 DOERRGLATTVCFS-FQEVSTJZSA-N 431.414 3.941 0 40 IHAB Cc1nn(CN2CCN(Cc3csc(-c4ccccc4)n3)CC2)c(=S)n1C1CC1 32771173 SANSOSIHHQAIOH-UHFFFAOYSA-N 426.615 3.956 0 40 IHAB CC(C)(C)c1nnc(C2CCN(Cc3nnc(C(=O)Nc4ccc(F)cc4)s3)CC2)o1 32936877 URKRKEXZPRXSEK-UHFFFAOYSA-N 444.536 3.990 0 40 IHAB O=C(NCc1ccco1)c1nnsc1NC(=O)N1CCC(Cc2ccccc2)CC1 33428938 YQAJHNHYKVCCCS-UHFFFAOYSA-N 425.514 3.548 0 40 IHAB CCNC(=O)NC(=O)[C@@H](C)SC1=N/C(=C/c2ccccc2)C(=O)N1c1ccc(F)cc1 33474647 OEWKPVAAJHAVMZ-QFGUUYLXSA-N 440.500 3.537 0 40 IHAB COc1ccc(/C=C/C(=O)NCCN2C(=O)S/C(=C/c3ccc(F)cc3)C2=O)cc1 33527800 KVHDPRFETHXJIA-UZHIMRIFSA-N 426.469 3.700 0 40 IHAB Cc1ccc(OCC(=O)Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)c2c1[C@@H](C)CC2=O 36406044 OTNWBMMBHCSSIZ-JYJNAYRXSA-N 443.569 3.768 0 40 IHAB CSc1ncc(Cl)c(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(F)cc2)n1 41156877 FRUWYQSYVKOWAI-KRWDZBQOSA-N 444.919 3.971 0 40 IHAB CCc1cccc(C)c1NC(=O)Cn1c(=O)n(-c2ccccc2F)c(=O)c2sccc21 57490502 SKKHNMQHIHHJOH-UHFFFAOYSA-N 437.496 3.863 0 40 IHAB C[C@H](NC(=O)CS(=O)(=O)c1ncc(-c2ccccc2)n1C1CC1)c1ccc(F)cc1 58027431 MVMLUVVHQUGUFI-HNNXBMFYSA-N 427.501 3.675 0 40 IHAB Cc1cc(Sc2nccn2C)ccc1NS(=O)(=O)c1ccc2oc(=O)ccc2c1 58196126 IZCDRHHOQJJGAO-UHFFFAOYSA-N 427.507 3.787 0 40 IHAB CCN(C(=O)Cn1nc2c(Sc3ccc(C)cc3C)nccn2c1=O)c1ccccc1 67255588 YUIHAQKIVIDANJ-UHFFFAOYSA-N 433.537 3.712 0 40 IHAB COc1c(C)cccc1C(=O)N1CCN(C)C(=O)[C@H]1Cc1ccc(-c2cccnc2)cc1 72351880 IIVVUPIRGDRPFK-HSZRJFAPSA-N 429.520 3.591 0 40 IHAB C[C@@H](C(=O)NCCn1ccc2ccc(Br)cc21)N1Cc2ccccc2C1=O 72401304 YPFXWCLSWSIGPZ-AWEZNQCLSA-N 426.314 3.565 0 40 IHAB CCOC(=O)CCC(=O)N(CCn1cccn1)c1nc2c(C(F)(F)F)cccc2s1 77177562 CYTKJFNNDGKVIC-UHFFFAOYSA-N 440.447 3.888 0 40 IHAB CN1C(=O)C[C@H](CNC(=O)c2cc(Br)cc(Cl)c2O)[C@@H]1c1ccccc1 96003280 FCEAZKIXXZXBOX-PXAZEXFGSA-N 437.721 3.758 0 40 IHAB Cc1cccc(NC(=O)N2CCC[C@]3(C(=O)NCC4CC4)CN(c4ccccn4)C[C@@H]3C2)c1 96251423 AFPLBAKINDFZEU-LVXARBLLSA-N 447.583 3.667 0 40 IHAB COc1ccc(OCC(=O)NCCN2C(=O)S/C(=C/c3ccc(Cl)cc3)C2=O)cc1 97985889 ZCUDIXBHGCBAED-LDADJPATSA-N 446.912 3.580 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCCC3)c2)cc1OC 113939751 YWLOBJOYBJRRBC-UHFFFAOYSA-N 448.541 3.529 0 40 IHAB CC[C@H](NC(=O)[C@H](C)N(c1cc(OC)ccc1OC)S(C)(=O)=O)c1ccc(C)c(C)c1 220223515 BHTZKCMLFQTTGR-PXNSSMCTSA-N 448.585 3.743 0 40 IHAB COc1cccc(N(C)C(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c1 222678616 MPMAKZNOGMWUSB-UHFFFAOYSA-N 426.494 3.538 0 40 IHAB COc1ccccc1CNC(=O)c1cn2c3c(cc(Br)cc3c1=O)C[C@H]2C 223107670 KAFBPZKNMDLMFR-GFCCVEGCSA-N 427.298 3.820 0 40 IHAB CCCCN1C(C)=NS(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(OC)cc3)ccc21 223118874 NEBOTQJTTYCVKU-HNNXBMFYSA-N 429.542 3.913 0 40 IHAB COC(=O)c1ccc(N(C)Cc2ccccc2)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 223419501 RQICVGNGBBMQOU-UHFFFAOYSA-N 440.521 3.919 0 40 IHAB Cc1ccccc1[C@@H](C)NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1 223749569 OZYWRUWXRHWZSI-GFCCVEGCSA-N 436.946 3.792 0 40 IHAB CSc1ccc(S(=O)(=O)NCc2ccccc2F)cc1C(=O)N1CCC(C)CC1 223892330 NIVKCYOPYNQHCM-UHFFFAOYSA-N 436.574 3.898 0 40 IHAB CSc1ccc(S(=O)(=O)NCCOc2ccc(C)c(C)c2)cc1C(=O)N1CCCC1 224319775 GVJSCVQLZXZCLZ-UHFFFAOYSA-N 448.610 3.619 0 40 IHAB CCN(c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1)S(=O)(=O)c1ccccc1 224356162 FQHYPTZKZNFOIQ-UHFFFAOYSA-N 449.576 3.864 0 40 IHAB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)NC(C)(C)Cc2ccccc2)CC1 225367487 UMPAZNIHYUNRKK-UHFFFAOYSA-N 428.598 3.674 0 40 IHAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc2c(c1)OCO2 225415053 IDMMBQRGJHIDIZ-MSOLQXFVSA-N 440.540 3.689 0 40 IHAB CSc1nnc(NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)s1 225727614 RIZNHZHODKWVHT-UHFFFAOYSA-N 448.595 3.711 0 40 IHAB COc1ccc(CCC(=O)N2CC[C@@H](Oc3cccc4cccnc34)C2)c(OC)c1OC 244998625 KMTJKNFCSARRNU-LJQANCHMSA-N 436.508 3.873 0 40 IHAB O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)N1CCC[C@H](c2ccnc(-c3ccncc3)n2)C1 247751523 SUDQQOKQZOAICA-PXGMSDNNSA-N 432.568 3.966 0 40 IHAB COc1ccc(-c2nnc3n2[C@@H]2CCCC[C@@H]2N(C(=O)CC[C@H]2CCCO2)C3)cc1OC 248139868 RFXMNLCSUYOOCS-CEXWTWQISA-N 440.544 3.747 0 40 IHAB CC(C)NC(=O)c1cc([C@H]2CC[C@H](CNC(=O)c3cnccn3)CC2)nc2ccccc12 257243064 IFIIJHOGYGLNRK-IYARVYRRSA-N 431.540 3.867 0 40 IHAB Cc1ccc(CN(CC(=O)N[C@H](c2ccccc2)c2ccccc2C)S(C)(=O)=O)cc1 260770737 UBHDNPMPNIOKNP-RUZDIDTESA-N 436.577 3.971 0 40 IHAB CCc1ccc([C@H](C)NC(=O)[C@H](C)N(c2cc(Cl)ccc2OC)S(C)(=O)=O)cc1 260845535 SRZAAZHADZRGBL-GJZGRUSLSA-N 438.977 3.943 0 40 IHAB COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3F)cc2)c1 408573377 CZYRQTXDTQYLKP-UHFFFAOYSA-N 430.457 3.896 0 40 IHAB O=C(COc1ccc(S(=O)(=O)N2CCCCCC2)cc1)NCc1ccc(Cl)cc1 408602135 HWUOZWWZMOVSIY-UHFFFAOYSA-N 436.961 3.600 0 40 IHAB COc1cc(OC)cc(C(=O)OCC(=O)Nc2ccc(Br)c(Cl)c2)c1 408648050 WZMYAXRQMZABQI-UHFFFAOYSA-N 428.666 3.915 0 40 IHAB CCc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)cc2)cc1 408660287 NKEFCIBLZGAZTJ-HTUUBCJYSA-N 446.503 3.580 0 40 IHAB CS(=O)(=O)N(CCCC(=O)Nc1cc(Cl)cc(Cl)c1)c1ccc2c(c1)OCO2 408705203 ZQVQPHPEKMORIF-UHFFFAOYSA-N 445.324 3.907 0 40 IHAB CCn1c(COc2ccccc2OC)nnc1SCC(=O)Nc1cccc(OC)c1 409338179 FJNVNTGPLHCHLF-UHFFFAOYSA-N 428.514 3.625 0 40 IHAB Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)N[C@H](C)c1ccccc1 409391380 NUXSQFDRUDPBSW-LJQANCHMSA-N 438.549 3.730 0 40 IHAB O=C(N[C@@H]1CCCC[C@@H](Oc2ccccc2)[C@@H]1O)c1ccc(OCCN2CCCC2)cc1 585261656 URVGIDCKWHJPCV-UBFVSLLYSA-N 438.568 3.642 0 40 IHAB COc1ccc(CN2CCC3(CC2)OC(=O)N2CCN(Cc4ccccc4)C[C@@H]23)cc1F 1549162093 NNCDXONMEBEASF-HSZRJFAPSA-N 439.531 3.506 0 40 IHAB Cc1cc(C)n(-c2cc(OCC3CCN(C(=O)c4cn(C)c5ccccc45)CC3)ncn2)n1 1775974635 YIAPCPPZXSKWOC-UHFFFAOYSA-N 444.539 3.702 0 40 IHAB COc1ccc(NC(=O)N2CCC(Oc3nccc(C(F)(F)F)n3)CC2)c(OC)c1 1775974889 VQROCJBJLZESHX-UHFFFAOYSA-N 426.395 3.588 0 40 IHAB CCOc1ccc(N(CC(=O)NCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 817028 VMLLAVXWKIUNPR-UHFFFAOYSA-N 438.549 3.905 0 40 IHAB COc1ccc(NC(=O)CSc2nnc3c4c(C)c(C)sc4ncn23)c(OC)c1 870477 GWDLAQVESDKKHA-UHFFFAOYSA-N 429.527 3.704 0 40 IHAB CC(C)[C@@H]1Cc2c(sc3nc(SCC(=O)NCCc4ccccc4)nc(N)c23)CO1 2226134 QOJWEDIMZSNCCS-INIZCTEOSA-N 442.610 3.822 0 40 IHAB CCOc1ccc(NC(=O)c2ccc(NC(=O)[C@@H](c3ccccc3)n3cnnn3)cc2)cc1 2651874 ORTAGMMLZZZNFB-JOCHJYFZSA-N 442.479 3.552 0 40 IHAB CCOc1ccccc1C(=O)NN1C(=O)c2ccccc2N[C@@H]1c1ccc2c(c1)OCO2 2746690 STYJXIJSLYDVDF-QFIPXVFZSA-N 431.448 3.726 0 40 IHAB C[C@H](CCc1ccccc1)NC(=O)COC(=O)c1ccccc1I 3265384 JEXPEXBWPFTJCA-CQSZACIVSA-N 437.277 3.586 0 40 IHAB COc1ccc([C@@H](O)c2cc(-c3ccncc3)c([C@H](O)c3ccc(OC)cc3)nn2)cc1 5011198 SEVAGXOPKGMBHQ-JWQCQUIFSA-N 429.476 3.719 0 40 IHAB CCOc1ccc(Br)cc1CNCCSc1nnnn1-c1ccccc1 8614144 HQEYPHANYDDDLF-UHFFFAOYSA-N 434.363 3.705 0 40 IHAB COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(Br)cc2)c(OC)c1 8766814 FFRGMEVBUILCCY-SFHVURJKSA-N 446.301 3.733 0 40 IHAB O=C(c1ccc2c(=O)n3c(nc2c1)CCCCC3)N1CCN(c2cccc(Cl)c2)CC1 8913771 MKWSWJCEVIAREV-UHFFFAOYSA-N 436.943 3.739 0 40 IHAB CC[C@@H](Sc1nc(C)c(-c2ccccc2)[nH]1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 9190186 OZKZVDPDKYZYGA-QGZVFWFLSA-N 430.555 3.542 0 40 IHAB COc1ccc(-n2nc3c(c2NC(=O)c2ccc(N4C(=O)CCC4=O)cc2)CSC3)cc1 9363811 SWYRPMKZMBENEA-UHFFFAOYSA-N 448.504 3.533 0 40 IHAB CCOC(=O)Cc1csc(SCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)n1 9466696 FPXSGXIEFGLTIG-UHFFFAOYSA-N 430.555 3.782 0 40 IHAB COC(=O)c1ccc(C(=O)OCC(=O)Nc2ccccc2C(=O)Nc2ccccc2)cc1 9479963 WZIHEZLHHINAGY-UHFFFAOYSA-N 432.432 3.521 0 40 IHAB COc1ccc(-c2noc(CCC(=O)N3CCN(c4cc(Cl)ccc4C)CC3)n2)cc1 9561612 JRGUWMNWEWOLNG-UHFFFAOYSA-N 440.931 3.988 0 40 IHAB COc1c(F)c(F)cc2c(=O)c(C(=O)Nc3ccc(NC(C)=O)cc3)cn(C3CC3)c12 9575855 NTRRADIUOSHILC-UHFFFAOYSA-N 427.407 3.834 0 40 IHAB Cc1cc(C)cc(NC(=O)Cn2c(=O)n(Cc3ccc(Cl)cc3)c(=O)c3ncccc32)c1 9660669 OPDUWPOGEKMTTI-UHFFFAOYSA-N 448.910 3.515 0 40 IHAB CCOC(=O)C1=C(COC(=O)c2cc3c(s2)CCCC3)NC(=O)N[C@H]1c1cccs1 9666636 RKNUUDTUIIWKLF-SFHVURJKSA-N 446.550 3.717 0 40 IHAB CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H](c2cccs2)N2CCc3ccccc32)cc1 9708346 DGDWQIGLRMISGN-OAQYLSRUSA-N 448.548 3.565 0 40 IHAB O=C(Cc1csc(NS(=O)(=O)c2ccc(Cl)cc2)n1)NCc1ccc(F)cc1 9828508 YAZYCHMMGJROIU-UHFFFAOYSA-N 439.921 3.595 0 40 IHAB Cc1ccc(NC(=O)COCC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1Cl 9850065 RYQIGXGPSRZVRU-UHFFFAOYSA-N 436.339 3.606 0 40 IHAB CC1(C)CS(=O)(=O)N(c2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2)C1=O 12005875 BRCWZFSEIJONRY-UHFFFAOYSA-N 426.416 3.660 0 40 IHAB CC(C)(C)c1ccc(OCC(=O)N(Cc2ccccc2F)[C@@H]2CCS(=O)(=O)C2)cc1 12111538 ANHVOUCESXIXDA-LJQANCHMSA-N 433.545 3.718 0 40 IHAB CN(Cc1ccccc1Br)C(=O)CN1CCC[C@@H](C(=O)Nc2ccccc2)C1 12326963 WHTFOQQOUHODFZ-GOSISDBHSA-N 444.373 3.758 0 40 IHAB COc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 12371781 YZTYTLYTUWACDD-UHFFFAOYSA-N 430.457 3.653 0 40 IHAB Cc1cc([C@H]2NC(N)=Nc3nc4cc5c(cc4n32)OCCCO5)cc(C)c1OC(F)F 12506459 JSPJIRVPEUEUDA-SFHVURJKSA-N 429.427 3.512 0 40 IHAB C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCN(c2cccc(C(F)(F)F)c2)CC1 12549910 KQTLASXLCDOGMH-OAHLLOKOSA-N 435.446 3.626 0 40 IHAB COc1ccc(COC[C@@H](O)CSc2nc(N)c3c4c(sc3n2)CCCC4)cc1 12554883 VGXIRQQVYNKXIY-CQSZACIVSA-N 431.583 3.831 0 40 IHAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)CSc1nncs1)CC2 12747526 BCYKNJUJOQJNFQ-HXUWFJFHSA-N 427.551 3.822 0 40 IHAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N(C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 12772218 YGVGXHDWMQHDPG-UHFFFAOYSA-N 449.433 3.930 0 40 IHAB CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(-c4ccccc4)on3)CC2)cc1 12804434 OYJAZPWEFQUGQV-UHFFFAOYSA-N 439.537 3.612 0 40 IHAB C[C@@H](C(=O)NCCC1=CCCCC1)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 12866447 IOOXBFGGMOBHSU-LMKMVOKYSA-N 434.540 3.599 0 40 IHAB biogenic Cc1ccccc1CN(C)C(=O)COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 12899804 JXDATEARPBKCHR-UHFFFAOYSA-N 449.473 3.827 0 40 IHAB O=C(NCCOc1ccc(Cl)cc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 12987153 CXIJVNMOKLNHGL-UHFFFAOYSA-N 443.352 3.587 0 40 IHAB CCCCCCC(=O)N1CCC(c2nc(O)c3nnn(Cc4ccc(F)cc4)c3n2)CC1 13083148 YYGCPTBCZDMARN-UHFFFAOYSA-N 440.523 3.791 0 40 IHAB Cc1ccccc1N(CC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1)S(C)(=O)=O 13108420 NEBKPDJGVWAJAT-QGZVFWFLSA-N 443.594 3.777 0 40 IHAB Cc1cc(C)n([C@@H](C)CC(=O)N2CCC[C@@H](c3nc4ccc(F)cc4cc3C(N)=O)C2)n1 13225328 AYDQLYCTNOLLQQ-DLBZAZTESA-N 437.519 3.643 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)c(C)c1 13648942 HWRWCIOVHJVEQA-CQSZACIVSA-N 438.933 3.618 0 40 IHAB CCn1c(CC(=O)Nc2ccc(C)c(C)c2)nnc1SCC(=O)Nc1ccc(F)cc1 13955817 HESWZSZWDIIGHV-UHFFFAOYSA-N 441.532 3.966 0 40 IHAB CCOc1cc(CN(C(=O)Cn2cnc3ccccc3c2=O)C2CC2)ccc1OC(F)F 14182167 CJIHLWRBYPQUQR-UHFFFAOYSA-N 443.450 3.588 0 40 IHAB O=C1CC[C@@]2(C(=O)Nc3cc4c(cc3Br)OCCO4)Sc3ccccc3N12 14198483 JNZABHXFHGKAHF-IBGZPJMESA-N 447.310 3.788 0 40 IHAB COc1ccc(NS(=O)(=O)c2cccc(C(=O)OCC(=O)c3ccccc3)c2)cc1 14902071 ASJKJBSXACQAMT-UHFFFAOYSA-N 425.462 3.536 0 40 IHAB O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccccc1Br 15628967 XMYMHKLVTXZUAQ-UHFFFAOYSA-N 437.359 3.805 0 40 IHAB CN(C)c1ccc(CN2C[C@H](O)C[C@H]2c2nc(Cc3ccc(F)cc3Cl)no2)cc1 15675098 PZYQJXFBLNJUSZ-QUCCMNQESA-N 430.911 3.827 0 40 IHAB biogenic,in-vitro NS(=O)(=O)c1ccc(CCNCc2ccc(OCc3ccc(Cl)cc3)cc2)cc1 16401423 SPWMZTSOBQKOQI-UHFFFAOYSA-N 430.957 3.899 0 40 IHAB CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1n[nH]c(=O)c2ccccc12 18004322 SKRUWKKAEDOQPE-UHFFFAOYSA-N 433.295 3.721 0 40 IHAB Cc1cc(-n2c(C)cc(/C=C/C(=O)OCC(=O)c3ccc4c(c3)OCCCO4)c2C)no1 19355602 WJLPVWMHYBGKAP-SOFGYWHQSA-N 436.464 3.991 0 40 IHAB COc1ccccc1OCC(=O)N1CCCC[C@@H]1c1nc(-c2ccsc2)cc(=O)[nH]1 19571414 SFENWFPCFZQQTB-QGZVFWFLSA-N 425.510 3.640 0 40 IHAB Cc1cn2c(=O)cc(CSc3nnc(NC(=O)CCc4ccccc4)s3)nc2s1 20984407 VTPYJFOKDKQDGH-UHFFFAOYSA-N 443.579 3.780 0 40 IHAB CNS(=O)(=O)Cc1ccccc1CN[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 24529154 CVBROWOFDRJQCB-DEOSSOPVSA-N 447.560 3.931 0 40 IHAB COc1ccc(-c2nnc(SCC(=O)Nc3cccc(C(C)C)c3)n2N)c(OC)c1 24788304 TXWZLFZEBKEEIO-UHFFFAOYSA-N 427.530 3.530 0 40 IHAB CN(CC(=O)Nc1ccccc1Cl)C(=O)CNc1ccc(Br)cc1F 25947948 WLXDNOGXVBPRJH-UHFFFAOYSA-N 428.689 3.751 0 40 IHAB COc1ccc(OC)c2c1CN(Cc1nc(=O)c3cc(-c4ccccc4)sc3[nH]1)C[C@H]2O 26157763 FRAUOEFKBBCGIT-QGZVFWFLSA-N 449.532 3.718 0 40 IHAB O=C([C@H]1CCCN(c2cnccn2)C1)N1CCN(Cc2ccc(-c3ccccc3)s2)CC1 29962674 RCIMJMYXNVPFON-NRFANRHFSA-N 447.608 3.766 0 40 IHAB COC(=O)c1oc(COC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1C 30738007 WWNFEFHCHFWSTP-UHFFFAOYSA-N 426.391 3.748 0 40 IHAB O=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2cc(F)ccc2Br)CC1 32753835 IPKPOKQAYMUEQY-UHFFFAOYSA-N 425.685 3.840 0 40 IHAB Cc1cc(C(=O)N2CCC[C@H](c3nnc4ccccn34)C2)c2nc3n(c2n1)CCCCC3 32770918 PUWRTIMCRGSIHF-KRWDZBQOSA-N 429.528 3.529 0 40 IHAB C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 32858148 GLRWVXIMYKMHTA-AWEZNQCLSA-N 439.493 3.835 0 40 IHAB Cc1cc(CN2CCN(C(=O)c3ccc(SCc4csc(C)n4)cc3)CC2)no1 32902641 JRCWWLIPELGRAV-UHFFFAOYSA-N 428.583 3.998 0 40 IHAB COc1ccc(-c2cc(C(=O)NC[C@@H](C)Cn3cc(Cl)cn3)c3cnn(C)c3n2)cc1 36613337 DWBCTHBWLCBORR-CQSZACIVSA-N 438.919 3.560 0 40 IHAB O=C(Cn1c(=O)oc2ccccc21)N(Cc1ccccn1)c1nc2c(F)cccc2s1 36691858 GIZGZKNJFDBDAJ-UHFFFAOYSA-N 434.452 3.972 0 40 IHAB CCOc1ccc(-c2noc(-c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)o3)n2)cc1OC 38489264 WVGPHGKWIDXLFN-AWEZNQCLSA-N 447.513 3.825 0 40 IHAB COc1ccccc1N1CCN(C(=O)Cn2ccc3c(Br)cccc32)CC1 40285801 DWGMBYNFKXJMJE-UHFFFAOYSA-N 428.330 3.761 0 40 IHAB Cc1cccc(C)c1N(CC(=O)NCCSCc1cccc(Cl)c1)S(C)(=O)=O 44791563 WQLADTHZUVSJGA-UHFFFAOYSA-N 441.018 3.772 0 40 IHAB CC(C)c1ccc(-n2cnnc2SCC(=O)N[C@@H](Cn2ccnc2)C(C)(C)C)cc1 48341465 IUTALPROXDALAL-IBGZPJMESA-N 426.590 3.910 0 40 IHAB COC(=O)COc1cccc(NC(=O)[C@@H]2CCCN(c3nc4ccccc4s3)C2)c1 48345705 VFEIWBVZWCXFBE-OAHLLOKOSA-N 425.510 3.703 0 40 IHAB O=C([C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(F)cc1)N1CCN(c2ccccc2)CC1 58150243 PEDMDBCQTVWJKR-QDSKXPNFSA-N 435.543 3.948 0 40 IHAB O=S(=O)(NC[C@H]1CCN(c2ccc(F)cc2)C1)c1cc(Br)ccc1F 58307370 ISEQJTGZPNHBCC-GFCCVEGCSA-N 431.302 3.532 0 40 IHAB Cc1ccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@@H](C)[C@@]5(C)[C@H](O)[C@@H]43)CC2)cc1C 59415109 ZZSQDHGSNRGFRY-LUPCETETSA-N 438.612 3.710 0 40 IHAB biogenic CCOC(=O)[C@H](C)n1ncc2c3sc(C)cc3n(Cc3cccc(OC)c3)c2c1=O 72334538 XFFUMFHCGUWZLU-AWEZNQCLSA-N 425.510 3.902 0 40 IHAB CC(=O)Nc1ccc(CN2CCN(c3c(F)cccc3[C@@H](O)c3ccccn3)CC2)cc1 72340716 XEUHRFQVENOYBB-RUZDIDTESA-N 434.515 3.583 0 40 IHAB Cc1ccc(CNC(=O)C2CCN(C(=O)c3cnc(C)n3-c3ccccc3)CC2)cc1F 78903069 UFHWFEITVKDFOC-UHFFFAOYSA-N 434.515 3.797 0 40 IHAB CN1C(=O)c2cc(NC(=O)c3cncc(Br)c3)ccc2Oc2ncccc21 95480529 VZKQIJURNNALOW-UHFFFAOYSA-N 425.242 3.874 0 40 IHAB NC(=O)COc1ccccc1/C=C1/SC(=O)N(Cc2ccc(Br)cc2)C1=O 214909536 FITDEHSSVAOFTM-CXUHLZMHSA-N 447.310 3.550 0 40 IHAB COc1cccc(N(CCCC(=O)N2CCC(Cc3ccccc3)CC2)S(C)(=O)=O)c1 222590529 BUIFEBMXNGUTES-UHFFFAOYSA-N 444.597 3.723 0 40 IHAB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cccc(C(=O)OC)c2)o1 223036398 FEJWAMYFZDWKKQ-NHCUHLMSSA-N 437.521 3.747 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)Cc2ncc(C(=O)Nc3ccc(F)c(Cl)c3)cn2)cc1 223383215 SCKGBEMSWQJRCE-UHFFFAOYSA-N 448.907 3.651 0 40 IHAB Cc1ccc(N(CC(=O)NCCOc2cccc3ccccc23)S(C)(=O)=O)cc1Cl 223519908 MOEXOECTEVUBGT-UHFFFAOYSA-N 446.956 3.763 0 40 IHAB CN(c1ccc(C(=O)NCCOc2ccccc2C(C)(C)C)c(Cl)c1)S(C)(=O)=O 223729691 RCWPJSZYQSJGHY-UHFFFAOYSA-N 438.977 3.842 0 40 IHAB Cc1cccc(-c2noc(CN(C)S(=O)(=O)c3ccc4c(c3)CCC(C)(C)O4)n2)c1 223776221 PWUJJLOUUKNATR-UHFFFAOYSA-N 427.526 3.969 0 40 IHAB CCCn1c(=O)sc2cc(S(=O)(=O)NCCOc3ccc(C)c(Cl)c3)ccc21 224194468 KOSLMRZIVRLXBQ-UHFFFAOYSA-N 440.974 3.792 0 40 IHAB CC(C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccccc1 224674939 RPSQOIICKAQSIO-MRXNPFEDSA-N 433.346 3.770 0 40 IHAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2C)cc1NC(C)=O 225315540 MQNXNWNUEZAWOZ-YADHBBJMSA-N 435.553 3.873 0 40 IHAB Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC[C@H]4C)nc(O)c32)cc1Cl 253577400 XANOYIZXIARWHH-OCCSQVGLSA-N 429.908 3.587 0 40 IHAB CC1(C(=O)N2CCOC[C@@H](Cc3cccc4occc34)C2)CCN(c2ncccn2)CC1 257218436 DDEAERIEWJBZKF-IBGZPJMESA-N 434.540 3.547 0 40 IHAB CNC(=O)[C@]1(c2ccccn2)CCCN(C(=O)c2cccc(OCc3ccc(F)cc3)c2)C1 257225007 FELDVJVFARYXQA-AREMUKBSSA-N 447.510 3.720 0 40 IHAB CCN(CC)C(=O)c1c[nH]nc1C1CCN(C(=O)CCc2cn(C)c3ccccc23)CC1 257225781 FHTYFAKQIYEASH-UHFFFAOYSA-N 435.572 3.722 0 40 IHAB Cc1nn(C)cc1S(=O)(=O)N1CCCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257261712 LINDPJPXATWFBU-GOSISDBHSA-N 434.949 3.877 0 40 IHAB COc1ccc(CN2C[C@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccsc2)C3=O)cc1 306134049 NCOCXCUXDLXISR-ILBGXUMGSA-N 449.576 3.549 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N[C@H](C)c2ccccc2)C1 408555316 AHJZEWFUPPJFEN-NVXWUHKLSA-N 436.961 3.627 0 40 IHAB C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(C(=O)OCC(=O)Nc4ccc(F)cc4)cc3)C(=O)[C@@H]2C1 408664848 PMUHACYOGIYAJY-VOBQZIQPSA-N 438.455 3.547 0 40 IHAB CCCNS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(Br)c2)cc1 409270284 OREXLRADYPFAEV-UHFFFAOYSA-N 425.348 3.709 0 40 IHAB O=C(O[C@@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)[C@H]1OC(=O)c1ccccc1)c1ccccc1 409291977 CLZAYYJWEJSHMH-PMACEKPBSA-N 449.846 3.664 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC3(CC2)OCC[C@H]3CCOCc2cccc(C)n2)cc1 575402550 CHVCOUPLNBTTPB-OAQYLSRUSA-N 444.597 3.865 0 40 IHAB O=C(Nc1nc(O)c2ccccc2n1)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1 589973970 IANJGVJZLAFRPN-KRWDZBQOSA-N 426.476 3.980 0 40 IHAB Cc1cccc(NC[C@@H]2CCCN2C(=O)c2nnn(-c3ccc(OC(F)F)cc3)c2C)n1 1116095768 QHMBPCYPIMUTEB-KRWDZBQOSA-N 442.470 3.597 0 40 IHAB O=C(c1cc(S(=O)(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)ccc1F)N1CCCC1 1211645710 ATHXJCJWJZOQTO-JCNLHEQBSA-N 436.936 3.940 0 40 IHAB COc1ccc(CN2CCN(c3ncc(C(F)(F)F)cc3F)CC2)c(OC)c1OC 2087023879 VEZHSKUNDFMGBE-UHFFFAOYSA-N 429.414 3.588 0 40 IHAB CC[C@@H](C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(=O)N1CCCC1 846228 STKOGXRFGPSVMY-VGSWGCGISA-N 437.540 3.714 0 40 IHAB Cc1c(CCC(=O)N2CCC(C(N)=O)CC2)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 2124690 QWOLAYBJNMLFPJ-UHFFFAOYSA-N 438.524 3.802 0 40 IHAB biogenic COC(=O)c1ccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1 3071472 FAWQVJQPGKAVOJ-UHFFFAOYSA-N 438.505 3.616 0 40 IHAB Cc1sc2nc(COC(=O)c3ccc(I)cc3)[nH]c(=O)c2c1C 3279323 WSNKOLJPVIKWMT-UHFFFAOYSA-N 440.262 3.563 0 40 IHAB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCC(=O)Nc1nc2ccccc2s1 3286046 BQMUCNNHMYJIPO-IBGZPJMESA-N 441.509 3.729 0 40 IHAB C[C@@H](Sc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C(=O)Nc1ccc2c(c1)OCO2 8640271 GJCYYGWCWRPPQV-SNVBAGLBSA-N 429.523 3.711 0 40 IHAB COc1ccc(CNC(=O)[C@H](NC(=O)c2ccccc2Br)C(C)C)cc1OC 8768246 SSXNEDQNRDMPET-LJQANCHMSA-N 449.345 3.537 0 40 IHAB O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)Nc1ccc(Oc2ccccc2)cc1 8777479 JDYTXTVWTRMCEZ-RUZDIDTESA-N 443.459 3.647 0 40 IHAB CC(=O)c1ccc(NC(=O)Cn2c3ccccc3c3nc4n(c(=O)c32)CCCS4)cc1 8997214 RFKKHWIAPPLFSO-UHFFFAOYSA-N 432.505 3.688 0 40 IHAB CCCc1nnc(NC(=O)[C@H]2CC(=O)N(CCc3c[nH]c4ccc(Cl)cc34)C2)s1 9199183 BVRUVNHKZXRTKZ-ZDUSSCGKSA-N 431.949 3.655 0 40 IHAB COc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2ccccc2C)cc1Cl 9238579 MEXPRQYKFDUCBR-ROUUACIJSA-N 429.933 3.955 0 40 IHAB CCCCCNC(=O)CN1c2ccc(Br)cc2-c2ccccc2S1(=O)=O 9250366 BIJICHDPSAEVEF-UHFFFAOYSA-N 437.359 3.931 0 40 IHAB CN1c2ccccc2-c2nc(SCC(=O)Nc3ccccc3Cl)ncc2S1(=O)=O 9301239 VEVJIOFQRYKYBX-UHFFFAOYSA-N 446.941 3.666 0 40 IHAB Cc1nnc(NC(=O)CSc2nnc(NC(=O)c3cccc4ccccc34)s2)s1 9367095 RLDSIBJEXYZPBY-UHFFFAOYSA-N 442.551 3.834 0 40 IHAB COc1ccccc1CNC(=O)CSc1ccc(-c2ccc(-n3ccnc3)cc2)nn1 9712907 REOIWCMOZSVYHZ-UHFFFAOYSA-N 431.521 3.746 0 40 IHAB O=C(c1ccc(I)cc1)N1N=C2CCCC[C@H]2[C@]1(O)C(F)(F)F 9730683 WCTRGUYOHRBUIC-RISCZKNCSA-N 438.187 3.544 0 40 IHAB C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N1CCC(C(=O)c2ccccc2)CC1 9987315 CFQIGPWTIVXLAS-HNNXBMFYSA-N 443.341 3.689 0 40 IHAB COc1ccc(OC)c2sc(NC(=O)CCCS(=O)(=O)c3ccc(F)cc3)nc12 10219003 MMCOXELDCGZKJY-UHFFFAOYSA-N 438.502 3.645 0 40 IHAB CCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NS(=O)(=O)c1ccc(C)cc1 10514137 RMNVKSKVLDKVIZ-UHFFFAOYSA-N 439.603 3.648 0 40 IHAB O=C(CN1c2cccc3cccc(c23)S1(=O)=O)Nc1cccc(NC(=O)c2ccco2)c1 11199089 UCXABQVKNWRMAU-UHFFFAOYSA-N 447.472 3.833 0 40 IHAB O=C(Cn1c(=O)cc(C(=O)N2CCCC2)c2ccccc21)Nc1ccc(F)c(Cl)c1 12360172 LVNBSVSLPRTIHC-UHFFFAOYSA-N 427.863 3.669 0 40 IHAB biogenic,in-vitro Cc1ccc(NC(=O)CN2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)cc1Cl 12556153 HZJIFVUMDDUAGB-NRFANRHFSA-N 427.932 3.867 0 40 IHAB COc1ccc(-c2nc(CC(=O)N[C@H](C)c3ccc(-n4cncn4)cc3)cs2)cc1OC 12583613 UNPAWMUCSBEWBD-OAHLLOKOSA-N 449.536 3.828 0 40 IHAB CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 12584493 JUQLSFNCSQBORV-UHFFFAOYSA-N 445.522 3.535 0 40 IHAB CCCn1c(SCC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)n[nH]c1=O 13117805 XKTUBMYIAYJLTP-CYBMUJFWSA-N 433.584 3.574 0 40 IHAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCC(=O)Nc1ccc2c(c1)OCO2 13130107 LNUXPSGOZCZPNX-UHFFFAOYSA-N 432.791 3.967 0 40 IHAB COc1ccc(-c2nc(C)c(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)s2)cc1OC 13259981 CQXQEPVLEBEFFL-INIZCTEOSA-N 426.494 3.561 0 40 IHAB biogenic COCCn1nnnc1[C@@H](c1ccc(Cl)cc1)N1CCN(c2cc(C)ccc2C)CC1 13504239 DMPHIGUYFNEAIS-JOCHJYFZSA-N 440.979 3.501 0 40 IHAB Cc1c(CC(=O)NCCc2c[nH]c3ccc(Cl)cc23)c(=O)oc2cc(O)cc(O)c12 13609229 MXYHBHQZWROMFB-UHFFFAOYSA-N 426.856 3.549 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)c2cc3ccccc3oc2=O)c1 15179747 DYAINJGIBHNJPZ-UHFFFAOYSA-N 428.510 3.693 0 40 IHAB Cc1ccc(-n2c(SCc3cc(=O)n4ccc(C)cc4n3)nc3ccccc3c2=O)nc1 15277890 QBXCQRIEWWMKRI-UHFFFAOYSA-N 441.516 3.698 0 40 IHAB Cc1ccc(S(=O)(=O)NCCc2csc3nc(-c4ccccc4F)nn23)c(C)c1 15783927 JBQTUTKPGMCXBF-UHFFFAOYSA-N 430.530 3.735 0 40 IHAB CSCC[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2ccc(=O)oc2c1 16031489 QEYMZICNDBICLO-GOSISDBHSA-N 427.478 3.747 0 40 IHAB biogenic O=C(Cn1c(CO)cnc1SCc1ccc(Br)cc1)NCc1ccccc1 17179215 QBAHFNAFAQWIOY-UHFFFAOYSA-N 446.370 3.747 0 40 IHAB Cc1ccsc1CN1CCc2c(nc([C@@H]3CCCN3C(=O)[C@H]3CC=CCC3)[nH]c2=O)C1 19238704 KFOLRBSZZKGQOJ-PXNSSMCTSA-N 438.597 3.718 0 40 IHAB Cc1nc([C@H]2CCN(C(=O)C(C)(C)C)C2)nc2c1CCC(=O)N2CCc1ccccc1F 19739176 AKIGKKKIWOSXSW-SFHVURJKSA-N 438.547 3.808 0 40 IHAB CCCN1C(=O)CCc2c(C)nc(C3CCN(Cc4ccc(OC)c(OC)c4)CC3)nc21 19739332 IBXIYDWUQKSLHB-UHFFFAOYSA-N 438.572 3.871 0 40 IHAB Cc1ccc(CN2C(=O)CCc3c(C)nc([C@H]4CCCN4Cc4cnn(C)c4C)nc32)cc1 19740630 OVMPCLXUYJEQTA-HSZRJFAPSA-N 444.583 3.952 0 40 IHAB COC(=O)c1cccc(NC(=O)CSc2nc(-c3ccc(Br)cc3)n[nH]2)c1 19927833 VIBGLJVLUHHPHP-UHFFFAOYSA-N 447.314 3.752 0 40 IHAB CCCNS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2ccc(SC)cc2)c(C)c1 20022194 JKTDQWUQHURNRW-MRXNPFEDSA-N 436.599 3.661 0 40 IHAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)c1C 20040054 LFRWOIPPOTWDJG-KRWDZBQOSA-N 425.510 3.905 0 40 IHAB O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 21468907 GAMOXCSMYPIYIX-OAHLLOKOSA-N 442.821 3.655 0 40 IHAB CC(C)n1cnc2nc(CSc3ccc(NC(=O)COc4ccccc4)cc3)cc(=O)n21 21797657 DMYOJRHDDQKETF-UHFFFAOYSA-N 449.536 3.782 0 40 IHAB C[C@@H](Sc1nc(CN2CCOCC2)nc2ccccc12)C(=O)Nc1ccccc1F 22358795 QVMCDTQOGXQBLS-OAHLLOKOSA-N 426.517 3.720 0 40 IHAB O=C(CN1CCOCC1)Nc1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1 22384146 SACRLNGYVSTDOU-UHFFFAOYSA-N 443.503 3.834 0 40 IHAB CC(C)c1ccccc1N(CC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)S(C)(=O)=O 22401650 XRJNRYHZAFSKJJ-LJQANCHMSA-N 430.570 3.995 0 40 IHAB COc1cccc(NC(=O)Cn2nc(C3CC3)c3cnn(-c4ccc(C)cc4C)c3c2=O)c1 22768161 XBHOYPIDNSCFAA-UHFFFAOYSA-N 443.507 3.724 0 40 IHAB CCCCc1nnc(NC(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)s1 23363848 CDMYVDRTNSZVNM-UHFFFAOYSA-N 427.456 3.525 0 40 IHAB COCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)c(Cl)c2)n2c1nc1ccccc12 23411199 RDOQFBAOHQSROA-LJQANCHMSA-N 426.904 3.951 0 40 IHAB O=C(c1ccco1)N1CCC(C(=O)N2CCN(Cc3cccc4ccccc34)CC2)CC1 23865821 QVHPZVZSGCLWLW-UHFFFAOYSA-N 431.536 3.629 0 40 IHAB O=C([C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1)N1CCCCCC1 26113528 NZMOKVYHGJFCJO-HXUWFJFHSA-N 434.945 3.699 0 40 IHAB COc1ccc(C)cc1NC(=O)CNC(=O)c1cnn(-c2ccccc2C(F)(F)F)c1C 32754023 USHRTWYKSGDHPS-UHFFFAOYSA-N 446.429 3.885 0 40 IHAB COC[C@H](C)n1c(C)cc(C(=O)CN2C(=O)N[C@](C)(c3ccccc3Cl)C2=O)c1C 32859551 RCQQBJFIHTXGEI-RCDICMHDSA-N 431.920 3.616 0 40 IHAB O=C(NCc1ccccc1Cn1ccnc1)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 32860065 ZWHBUGGXVJGKBJ-UHFFFAOYSA-N 441.535 3.688 0 40 IHAB COc1ccccc1-n1c(SCC(=O)NCc2cccs2)nnc1-c1ccncc1 35290403 RMMOJUCADGDBFC-UHFFFAOYSA-N 437.550 3.808 0 40 IHAB O=C(O)c1ccc(N2C(=O)/C(=C/c3ccc(Br)o3)SC2=S)cc1O 35648575 AHGJRDIUESGNAS-WDZFZDKYSA-N 426.269 3.852 0 40 IHAB C[C@@H](NC(=O)COC(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1ccc(Cl)c(Cl)c1 39476330 XDRUDNJICZGYPJ-GFCCVEGCSA-N 449.290 3.681 0 40 IHAB CCOc1ccc(-n2ncc(C(=O)OCc3csc(Nc4ccccc4)n3)c2C)nn1 40040146 NECSBOHPVZJIFN-UHFFFAOYSA-N 436.497 3.927 0 40 IHAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 40056805 GFEHCPMXUNLSGB-OAHLLOKOSA-N 441.528 3.737 0 40 IHAB Cc1ccc(OCC(=O)Nc2cc(-c3ccccc3)nn2[C@H]2CCS(=O)(=O)C2)cc1C 41024910 WTYMSSBRIWZLEM-IBGZPJMESA-N 439.537 3.544 0 40 IHAB CCOc1ccc(-c2cc(=O)n(CCCC(=O)Nc3cc4ccccc4oc3=O)cn2)cc1 49028221 SEDOUVLQUQXRAR-UHFFFAOYSA-N 445.475 3.834 0 40 IHAB Cc1nnc2c(S(=O)(=O)N(Cc3ccccc3F)c3cc(F)cc(F)c3)cccn12 49405194 PWHLXWBLLBXAMS-UHFFFAOYSA-N 432.427 3.851 0 40 IHAB CCOc1ccc(N(Cc2ccc(F)cc2)S(=O)(=O)c2ccc3nncn3c2)cc1 49408367 UZAIQOYNMRJWCB-UHFFFAOYSA-N 426.473 3.663 0 40 IHAB CCOc1ccccc1[C@@H]1NC(=O)NC(CN2CC=C(c3ccccc3)CC2)=C1C(=O)OC 57415704 XQTSTYMBKOIACG-DEOSSOPVSA-N 447.535 3.656 0 40 IHAB COc1ccccc1NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(C)cc1 59515904 AMUAWFBWNNVSRA-UHFFFAOYSA-N 438.549 3.876 0 40 IHAB CN(C(=O)Cn1c(=O)cc(-c2nc(-c3ccncc3)no2)c2ccccc21)c1ccccc1 67318050 NJUQSTCMJJTNGC-UHFFFAOYSA-N 437.459 3.777 0 40 IHAB CCC(CC)C(=O)N1CCC(c2nc3c(c(=O)[nH]2)CN(Cc2csc(C)c2)CC3)CC1 72398972 VGZYHXHCFWCKNK-UHFFFAOYSA-N 442.629 3.840 0 40 IHAB C[C@@H](NC(=O)CN1CCC(c2nnc(C(F)(F)F)o2)CC1)C12CC3CC(CC(C3)C1)C2 77198069 XCXQGHVOVMNPQV-BUBBNXEVSA-N 440.510 3.989 0 40 IHAB CCN(C(=O)CN1CCC[C@@H](C(=O)NC2CCCCC2)C1)c1nc2ccccc2s1 84779721 KRNDMOXMCDQALY-QGZVFWFLSA-N 428.602 3.810 0 40 IHAB FC(F)(F)c1ccc(I)c(NCCCOC[C@@H]2CCCO2)n1 95443267 ZQMHNMWCBDRECQ-JTQLQIEISA-N 430.208 3.703 0 40 IHAB CCOC(=O)N(C)c1ccc(NC(=O)N2CCN(Cc3ccc(Cl)cn3)CC2)cc1 95942647 YIUSZPFMDDXXTO-UHFFFAOYSA-N 431.924 3.677 0 40 IHAB CCCOc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3cccnc3)C2=O)cc1 102725440 CGDNNSCPXPIDBQ-RJGXRXQPSA-N 429.476 3.922 0 40 IHAB NC(=S)[C@H]1[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218244882 DMMXXYQEZOSGJJ-ILXRZTDVSA-N 430.776 3.945 0 40 IHAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NS(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1 219225073 PXGRYACJHHVCFY-IBGZPJMESA-N 444.553 3.711 0 40 IHAB COC(=O)c1ccc(C)c(NC(=O)CCCN(c2cccc(C)c2C)S(C)(=O)=O)c1 222630967 QUVCQOBKXRYCJN-UHFFFAOYSA-N 432.542 3.583 0 40 IHAB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cn1 223068115 SXZAWYWGGDFLEP-PMACEKPBSA-N 427.961 3.930 0 40 IHAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc2c(c1)OCCO2 223766739 VOXVVLDJNFLYAG-MRXNPFEDSA-N 430.932 3.597 0 40 IHAB CC[C@@H](C(=O)NCCOc1ccccc1C(C)C)N(c1cccc(OC)c1)S(C)(=O)=O 223821545 LZLZHAAIILQNKR-NRFANRHFSA-N 448.585 3.558 0 40 IHAB CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1ccc(Br)cc1 224123168 RIIODOGEUTYQPK-IBGZPJMESA-N 433.346 3.771 0 40 IHAB Cc1ccccc1CN(C(=O)CCc1ccc2c(c1)OCCO2)[C@@H](C)C(=O)NCC(C)C 224139327 LTJXJCCPCHBAFH-FQEVSTJZSA-N 438.568 3.888 0 40 IHAB CS(=O)(=O)N(Cc1ccc(C(=O)NCCOc2ccccc2)cc1)c1ccc(F)cc1 224756216 LWECHTAXBVOYNT-UHFFFAOYSA-N 442.512 3.601 0 40 IHAB CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(OC)cc1 224903932 AJFVDHJMJKERON-HSZRJFAPSA-N 426.557 3.826 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(N2CCCC2)cc1 224915768 MHWBGWQQJNPIIT-UHFFFAOYSA-N 443.569 3.722 0 40 IHAB COc1ccc(S(=O)(=O)N(C)c2ccc(I)cc2)cc1Cl 224954706 VZQSVDATTKYCSX-UHFFFAOYSA-N 437.686 3.778 0 40 IHAB CCOC(=O)c1ccc(NC(=O)Cn2ccc(=O)c3ccc(Br)cc32)cc1 225740693 FWGMEXMOGVUMCJ-UHFFFAOYSA-N 429.270 3.579 0 40 IHAB c1cncc(COc2ccccc2CN2CCOC[C@@H](Cc3cccn4nccc34)C2)c1 257227382 FPABGPADEGOBQI-QFIPXVFZSA-N 428.536 3.999 0 40 IHAB Cc1nc([C@H]2CCN(C(=O)C3CCCC3)C2)nc2c1CC(=O)N2CCc1ccccc1F 257283523 OYSCREZXFBMROZ-IBGZPJMESA-N 436.531 3.562 0 40 IHAB O=C(c1cnccn1)N1CCO[C@H](c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)C1 257308330 TWIXJSWQUNVBEN-FQEVSTJZSA-N 428.414 3.695 0 40 IHAB CCc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@@H]3CC[C@@H](C)C[C@H]3C2=O)c1 408658829 IZSBISDJWMQSNZ-MAODMQOUSA-N 448.519 3.970 0 40 IHAB Cc1cccc(N(CCCC(=O)NCCSCc2ccccc2C)S(C)(=O)=O)c1 408695706 UADYWHBJOLVAGG-UHFFFAOYSA-N 434.627 3.899 0 40 IHAB Cc1ccccc1CNC(=O)c1ccccc1NC(=O)C(=O)NCCc1ccc(Cl)cc1 408709639 VWBSYSWTAROXEB-UHFFFAOYSA-N 449.938 3.876 0 40 IHAB O=c1/c(=C/c2cc(Br)c(Br)o2)sc2nc3ccccc3n12 408862609 HWIWIVHYGBYOAB-WDZFZDKYSA-N 426.089 3.575 0 40 IHAB CC(=O)NCCCOc1ccc(CN2CCC(O)(COc3ccc(C)cc3C)CC2)cc1 585280582 PWDQDACGTICVPQ-UHFFFAOYSA-N 440.584 3.614 0 40 IHAB CCc1cccc2c(C3CCN(C(=O)N[C@@H]4C[C@@H](C)N(c5cnn(C)c5)C4=O)CC3)c[nH]c12 608735645 YLZMCUVHDHGTQD-OPAMFIHVSA-N 448.571 3.547 0 40 IHAB CC(C)N1[C@H]2CC[C@@H]1CCNc1ccccc1CN(C(=O)Cn1nc3ccccc3n1)C2 643576400 WXJQGWZOTNZRAB-RTWAWAEBSA-N 432.572 3.517 0 40 IHAB C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCOc2ccc(F)c(Cl)c2)CC(C)(C)C1 1726689975 WMBKTMREDGLKMO-KDOFPFPSSA-N 449.958 3.973 0 40 IHAB Cc1cccc(C)c1OCc1nc2ccccc2c(=O)n1NC(=O)COc1ccccc1 716033 QYWBEXVAVOJYOI-UHFFFAOYSA-N 429.476 3.741 0 40 IHAB Cc1ccc(S(=O)(=O)N(Cc2cc3c(C)ccc(C)c3[nH]c2=O)C[C@H]2CCCO2)cc1 923283 DWCNPMOVOBEOTQ-HXUWFJFHSA-N 440.565 3.823 0 40 IHAB COc1ccc(CN(C(=O)CN2C(=O)[C@@H](C)Oc3ccccc32)C2CCCC2)c(OC)c1 1361845 KYRSRBPAYXZEBD-QGZVFWFLSA-N 438.524 3.789 0 40 IHAB Cn1c(=O)n(C)c2cc(/C=C3/SC(=O)N(Cc4c(F)cccc4Cl)C3=O)ccc21 1416739 MZCFCZVAYFMRNP-RQZCQDPDSA-N 431.876 3.906 0 40 IHAB COc1cc([C@H]2c3cc4c(cc3O[C@@](C)(OC)[C@@H]2C(C)=O)OCO4)cc(OC)c1OC 1591352 ZQFDPMHEBRRVRC-QZNHQXDQSA-N 430.453 3.533 0 40 IHAB O=C(Nc1ccsc1)O[C@@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4cccc(F)c4)n3)CO[C@H]12 5434063 ARHDSRXSPSZNIX-WJFTUGDTSA-N 442.472 3.540 0 40 IHAB biogenic,in-vitro NC(=O)c1oc2ccccc2c1NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 8708932 GYMIISAXHLTWBF-UHFFFAOYSA-N 438.443 3.542 0 40 IHAB COc1ccc(-n2ncc3c(N4CCc5cc(OC)c(OC)cc5[C@@H]4C)ncnc32)cc1 8766590 OISPENVJAJUABY-HNNXBMFYSA-N 431.496 3.965 0 40 IHAB CCN1CCc2c([nH]c3ccccc23)[C@@H]1c1c(O)nc(O)n(-c2ccccc2Cl)c1=O 8994470 HWVHYIZYMDYPJK-FQEVSTJZSA-N 436.899 3.746 0 40 IHAB O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)Nc1ccccc1C(F)(F)F 9227746 QAMBFGSZXSICGA-UHFFFAOYSA-N 442.459 3.944 0 40 IHAB CN(C)CCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@H]1c1cccc(F)c1 9253242 VZLYCVPJJMRVDG-GOSISDBHSA-N 445.288 3.801 0 40 IHAB O=C(CSc1ncc(-c2ccc(Br)cc2)[nH]1)NC(=O)NCc1ccco1 9254650 JXOKASFZRGQTHQ-UHFFFAOYSA-N 435.303 3.550 0 40 IHAB CCn1c(COc2ccccc2)nnc1S[C@H](C)C(=O)Nc1ccc2c(c1)OCO2 9303679 FHYMYLFXTLQBSI-CQSZACIVSA-N 426.498 3.725 0 40 IHAB COc1cccc(N2C(SCc3c(F)cccc3Cl)=N[C@@H]3CS(=O)(=O)C[C@H]32)c1 9341358 VOROGHWVVWMFEX-QZTJIDSGSA-N 440.949 3.763 0 40 IHAB COc1cccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)c1 9396647 JBWRWJBTUIXJKH-UHFFFAOYSA-N 436.961 3.843 0 40 IHAB COc1ccc(NC(=O)CSc2ccc3nnc(-c4ccc(C)cc4)n3n2)cc1OC 9415084 WHMLOTKDPPUDNT-UHFFFAOYSA-N 435.509 3.848 0 40 IHAB Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2sc3c(c2C(N)=O)CCC3)c1 9466723 YHQIOPAWGCLWNN-UHFFFAOYSA-N 426.567 3.869 0 40 IHAB O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(F)(F)F)c1cccc(F)c1 9507099 TVXVKKZGBLGHJN-UHFFFAOYSA-N 446.422 3.804 0 40 IHAB COc1ccccc1Nc1nnc(SCC(=O)NC(=O)Nc2ccccc2F)s1 9508530 WAXFPXASBNZFBA-UHFFFAOYSA-N 433.490 3.870 0 40 IHAB COCCn1c(C)cc(C(=O)CN2C(=O)N[C@](C)(c3cccc4ccccc34)C2=O)c1C 9512378 WINTVFHATYORFY-RUZDIDTESA-N 433.508 3.554 0 40 IHAB COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CCN(c2cc(C)ccc2C)CC1 9646410 FXMONIVXKKAXLM-UHFFFAOYSA-N 444.578 3.816 0 40 IHAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 9882148 OPKDPYBHFFMAPD-GOSISDBHSA-N 446.500 3.659 0 40 IHAB Cc1ccc(N(CC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)Cc2ccccc2)cc1 10504647 QHOLVMRDGYCLFZ-UHFFFAOYSA-N 437.565 3.905 0 40 IHAB COc1ccc(S(=O)(=O)N[C@@H](C)c2cc(C)ccc2C)cc1I 10543923 BDTSJGNIVONUPT-ZDUSSCGKSA-N 445.322 3.956 0 40 IHAB COC(=O)Cn1c(SCc2nc(-c3cccs3)oc2C)nc2ccccc2c1=O 10717769 UFECLCNUOADSSP-UHFFFAOYSA-N 427.507 3.887 0 40 IHAB CSc1ccc(Cl)c(C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)c1 11450757 WEGVHLNVIFYETG-UHFFFAOYSA-N 431.004 3.707 0 40 IHAB COc1cc(CN2C(=S)NC3(CCCCC3)[C@H]3CCCC[C@]32O)cc(OC)c1OC 12322852 ICHRZXLXOHGBFZ-XXBNENTESA-N 434.602 3.984 0 40 IHAB CCCn1c(N2CCN(C(=O)C3CCCC3)CC2)nc2sc3c(c2c1=O)CCCC3 12322949 HHXUJTBWASDNAP-UHFFFAOYSA-N 428.602 3.586 0 40 IHAB CN1CCN(c2ccc(Cl)cc2NC(=O)CCc2nc(-c3cccs3)no2)CC1 12555932 LSSSZOSGOWBGDP-UHFFFAOYSA-N 431.949 3.775 0 40 IHAB CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2cc3c(C)nn(CC(C)C)c3s2)C1=O 12599150 PZYBOECXBFHGGU-QFIPXVFZSA-N 439.541 3.564 0 40 IHAB CCNc1ccc(S(=O)(=O)N(C)C)cc1NCc1nc(-c2cccc(Cl)c2)no1 12641375 LWXOQAUHEDVVBX-UHFFFAOYSA-N 435.937 3.684 0 40 IHAB O=C(CCNS(=O)(=O)c1ccc2ccccc2c1)Nc1ccc(Br)cc1 12739021 MFLPISCPTUCFKH-UHFFFAOYSA-N 433.327 3.909 0 40 IHAB COc1ccc(-c2noc(CSc3nnc([C@@H]4COc5ccccc5O4)n3C)n2)cc1 12745556 DFGATBZMTOPSGQ-KRWDZBQOSA-N 437.481 3.679 0 40 IHAB O=C(NC[C@H](c1cccs1)N1CCCC1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 12788247 JTOCNQCCJCSHKZ-HXUWFJFHSA-N 449.532 3.704 0 40 IHAB C[C@H]1Oc2ccc(NC(=O)COc3ccc(Cl)cc3Br)cc2NC1=O 12917798 CAOKCGWRLBUWTA-SECBINFHSA-N 425.666 3.839 0 40 IHAB O=C(Nc1ccc(I)cc1)[C@@H]1CCCN(C(=O)c2cccs2)C1 13012484 DXEYXOXOBKPPEB-GFCCVEGCSA-N 440.306 3.844 0 40 IHAB Cc1ccc(NC(=O)CSCC(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 13023635 UQCKZBQBIDWGPV-UHFFFAOYSA-N 425.554 3.932 0 40 IHAB CC(C)CCN(CCC(C)C)C(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O 13063449 KKTKGOGRNOTSON-RUZDIDTESA-N 427.589 3.863 0 40 IHAB CCCCC(=O)OCC(=O)N1N=C(c2c[nH]c3ccccc23)[C@@H](O)[C@H]1c1ccc(OC)cc1 13122288 DULZPFDNCTYXTA-JWQCQUIFSA-N 449.507 3.558 0 40 IHAB Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2C[C@H](C)NS(=O)(=O)c1ccc(F)cc1 13227557 GTZUCBBRPBQQBX-ZDUSSCGKSA-N 442.434 3.835 0 40 IHAB CN(C)c1ccc(NC(=O)Cn2nc(C(c3ccccc3)c3ccccc3)oc2=O)cc1 13565817 WBYFMJJMLXWTRT-UHFFFAOYSA-N 428.492 3.721 0 40 IHAB C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCN(C(=O)c2cccs2)CC1 14129644 HCLFQARHCFYFLN-LJQANCHMSA-N 433.577 3.800 0 40 IHAB O=C(c1cc2cc(Cl)ccc2o1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 14246139 RRQKVJADVZGQOD-UHFFFAOYSA-N 439.320 3.886 0 40 IHAB CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(OC)c(OC)c2)cc1OC 14271208 VDGOBFSWLACKPN-UHFFFAOYSA-N 445.541 3.968 0 40 IHAB CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)c1c2c(nc3ccccc13)CCC2 15222496 SNQIHKXFDPNTRV-UHFFFAOYSA-N 429.476 3.644 0 40 IHAB Cc1cc(C)cc(NC(=O)CNC(=O)[C@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)c1 16033908 ZHPDYHIQOASDKE-OAQYLSRUSA-N 437.540 3.720 0 40 IHAB COc1ccc(NC(C)=O)cc1S(=O)(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 16088196 OMPFHMWZRHPMEL-OAHLLOKOSA-N 445.566 3.832 0 40 IHAB O=C(O)c1ccc(OCc2nc(OCC(F)(F)F)cc(OCC(F)(F)F)n2)cc1 16125663 VUZZXQRZVGVSJO-UHFFFAOYSA-N 426.269 3.636 0 40 IHAB C[C@@H](C(=O)N1CCC([C@@H]2C[C@H](C(F)F)n3nc(C(C)(C)C)cc3N2)CC1)N1CCCC1 19077891 BJRXHDWKZORMAW-RYQLBKOJSA-N 437.579 3.894 0 40 IHAB O=C(Nc1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(F)ccc2O3)cc1)C1CC1 19332389 NIEKFWQFORBKII-FCHUYYIVSA-N 440.515 3.558 0 40 IHAB O=C(c1cccs1)N1CCCC[C@@H]1c1nc(O)c2c(n1)CN(Cc1ccncc1)CC2 19342692 KLOPZUYQFQALPT-LJQANCHMSA-N 435.553 3.564 0 40 IHAB Cc1ncccc1C(=O)N1CCC[C@H]1c1nc(O)c2c(n1)CCN(Cc1ccccc1F)C2 19582892 LHXSUUVCWZALTJ-QFIPXVFZSA-N 447.514 3.560 0 40 IHAB CCOc1ccc(C(=O)N(Cc2ccc(OCC(N)=O)c(OC)c2)C2CCCCC2)cc1 19631953 WRMVBNRBJBZLSB-UHFFFAOYSA-N 440.540 3.933 0 40 IHAB Cc1cc(C)c2nc(NC(=O)c3ccc(=O)n(CC(=O)N(C)c4ccccc4)c3)sc2c1 19750811 DTRLVNKUGKTCRL-UHFFFAOYSA-N 446.532 3.990 0 40 IHAB O=C(NCCO)c1cc([C@H]2CCN(Cc3cnn(C4CCCCC4)c3)C2)nc2ccccc12 19761727 CKGYPRAULOEPIM-FQEVSTJZSA-N 447.583 3.648 0 40 IHAB COc1ccc(NC(=O)CCC(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)cc1OC 20746126 GCIULFBUCXMCFU-UHFFFAOYSA-N 425.460 3.628 0 40 IHAB O=C(Cn1nc(C2CC2)c2cnn(-c3ccc(F)cc3)c2c1=O)Nc1ccc(Cl)cc1 22768090 BPWQLWMJFAOIJF-UHFFFAOYSA-N 437.862 3.891 0 40 IHAB CCc1ccccc1NC(=O)CN1CCN([C@@H](C)c2nnc(-c3cccc(C)c3)o2)CC1 22930977 LPBQTLDXHSDDSK-IBGZPJMESA-N 433.556 3.925 0 40 IHAB O=C(Nc1cccc(C(=O)N2CCN(CCOc3ccccc3)CC2)c1)c1cccs1 23873447 PBIZAWNTUCPGAH-UHFFFAOYSA-N 435.549 3.837 0 40 IHAB O=C(c1cccs1)c1ccccc1C(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 24529375 PZTFBVABNAYHBG-UHFFFAOYSA-N 432.545 3.872 0 40 IHAB CC(=O)Nc1cccc(NC(=O)[C@H](C)N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1C 25600881 JEVDGRMKMPROTQ-JTQLQIEISA-N 434.279 3.883 0 40 IHAB CN1CCN(C(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)[C@H](c2ccccc2)C1 26938394 FJJKYRYDZXRSGV-DEOSSOPVSA-N 439.515 3.612 0 40 IHAB COc1ccc(OCC(=O)NC(=S)Nc2ccc3oc(-c4cccnc4)nc3c2)cc1 27910868 CCPSAPXNWKQKPR-UHFFFAOYSA-N 434.477 3.790 0 40 IHAB COC[C@@H](C)n1c(S[C@H](C)C(=O)N2CCc3ccccc3C2)nc2ccccc2c1=O 28683684 WQLALCWTGXBWIL-IAGOWNOFSA-N 437.565 3.669 0 40 IHAB Cc1ccc([C@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)cc1 30858738 CRMLAOBMPOYSQJ-REWPJTCUSA-N 428.598 3.847 0 40 IHAB COc1ccc(S(=O)(=O)NCc2cccc(COCc3ccccc3)c2)cc1OC 32442033 QWJLFONBVXSYJU-UHFFFAOYSA-N 427.522 3.899 0 40 IHAB Cc1cc(C(=O)Nc2ccc3c(c2)OCCO3)cc2c1N(C)S(=O)(=O)c1ccccc1-2 33271953 ROYBAKYOLRGNBV-UHFFFAOYSA-N 436.489 3.824 0 40 IHAB C[C@@H](SCC(=O)N1CCC(c2ccccc2)=N1)c1nc(N)nc(Nc2ccccc2)n1 36393386 YPRWIOHOYNXOIE-OAHLLOKOSA-N 433.541 3.628 0 40 IHAB COc1ccc(-c2cc(C(=O)NCc3cnn(-c4ccccc4)c3)c3cnn(C)c3n2)cc1 36616140 IRJGPASOBFQNIH-UHFFFAOYSA-N 438.491 3.760 0 40 IHAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCCC3)c(Cl)c2)cc1 38556562 YBZZAISGCTWOBZ-UHFFFAOYSA-N 438.933 3.541 0 40 IHAB CC[C@@H](C)NC(=O)c1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 40121961 VEZHSGJCLYUKGU-CRAIPNDOSA-N 427.932 3.538 0 40 IHAB Cc1nn(-c2ccc3nncn3n2)c2c1[C@H](c1ccccc1OC(F)(F)F)CC(O)=N2 40283540 LJFNGPUBISPMNM-LBPRGKRZSA-N 429.362 3.641 0 40 IHAB CCOC(=O)c1nc(CN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cs1 48253178 ZGCGWIHBAXLCMY-UHFFFAOYSA-N 434.871 3.709 0 40 IHAB Cc1nnc2ccc(S(=O)(=O)N(Cc3cc(F)cc(F)c3)c3ccc(F)cc3)cn12 49408538 CEYAZHQMYSXPPM-UHFFFAOYSA-N 432.427 3.851 0 40 IHAB O=C([C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1)N1CCN(c2ccc(Cl)cc2)CC1 57416623 ADAHNNBDFQZWTA-AWEZNQCLSA-N 436.314 3.834 0 40 IHAB COc1ccc(CN(C)C(=O)Cn2c(-c3ccc(F)cc3)c(C)sc2=O)c(OC)c1 58299355 XGRHRWFIDBZUOW-UHFFFAOYSA-N 430.501 3.700 0 40 IHAB CCOc1cc(C(=O)OCC(=O)NCc2ccc(CC)cc2)cc(OCC)c1OCC 67197561 FDJZXJROPVNDHA-UHFFFAOYSA-N 429.513 3.918 0 40 IHAB O=C(NCCn1ccc2ccccc21)c1ccc(N2CCCCS2(=O)=O)cc1Cl 71287889 KYCGPSRJROHOTI-UHFFFAOYSA-N 431.945 3.655 0 40 IHAB COc1ccc(CCN2CCN(c3ncccc3C(=O)N3CCc4ccccc43)CC2)cc1 72301818 WCNWMYCKAPNRJN-UHFFFAOYSA-N 442.563 3.658 0 40 IHAB CCCN(C)C[C@H]1CCN(CC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)C1 72308813 BGAQNOVJXGSBAY-LJQANCHMSA-N 443.613 3.716 0 40 IHAB COc1ccc(F)c(CN2CCN(c3c(F)cccc3[C@@H](O)c3nccs3)CC2)c1 72340620 AJHHHMSDRLJOPF-OAQYLSRUSA-N 431.508 3.834 0 40 IHAB O=C(CCS(=O)(=O)c1ccccc1)N[C@@H]1CCC[C@H](OC(=O)Nc2ccccc2)C1 77200210 ADMDZWIYLYWXLJ-MOPGFXCFSA-N 430.526 3.527 0 40 IHAB CCc1cccc(NC(=O)CN2C[C@@H]3CCCN(CC(=O)Nc4cccc(CC)c4)[C@@H]3C2)c1 78969670 ULOXRNPXIVZOEU-WIOPSUGQSA-N 448.611 3.785 0 40 IHAB CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc(N2CCCC2=O)ccc1F 89977228 XWKKFGAZXXLKHU-FQEVSTJZSA-N 439.531 3.785 0 40 IHAB Cc1nn(C)c2sc(C(=O)NCCN3C(=O)S/C(=C/c4ccccc4F)C3=O)cc12 96935821 QEAGJYYLOZOKAH-CXUHLZMHSA-N 444.513 3.549 0 40 IHAB CN(C)c1ccc(NC(=O)CN2[C@@H]3CCC[C@@H]2CC(NC(=O)C2CCCCC2)C3)cc1 100433585 CFUKWIHZYRSGOW-DHIUTWEWSA-N 426.605 3.773 0 40 IHAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 102311416 MIRIBSFCSZGVKW-SCTDSRPQSA-N 437.883 3.562 0 40 IHAB CCn1c(SCC(=O)N[C@@H]2CCCC[C@@H]2C)nnc1[C@H](C)NC(=O)c1ccccc1 103142301 FYFHXTJHRWZTQY-XYJFISCASA-N 429.590 3.576 0 40 IHAB COc1ccc(-c2cc(=O)n(CC(=O)Nc3ccccc3-c3csc(C)n3)cn2)cc1 208010392 BFQZWIMZUOQYAT-UHFFFAOYSA-N 432.505 3.990 0 40 IHAB CC(C)Oc1cccc(N(CC(=O)Nc2ccccc2C(F)(F)F)S(C)(=O)=O)c1 220104583 SVDZHRLQBAZABX-UHFFFAOYSA-N 430.448 3.897 0 40 IHAB CCc1ccc(N([C@H](C)C(=O)Nc2ccc(Br)cc2F)S(C)(=O)=O)cc1 220277582 LFALQUNWTBIEGG-GFCCVEGCSA-N 443.338 3.944 0 40 IHAB CC[C@H](NC(=O)[C@H](CC)N(c1cccc(C)c1)S(C)(=O)=O)c1ccc(OC)c(OC)c1 220526587 CHENSKWSQKGLIA-PMACEKPBSA-N 448.585 3.824 0 40 IHAB CCOCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1Cl 222726923 OEMIXLIBMAZUIR-GOSISDBHSA-N 432.948 3.679 0 40 IHAB COCc1cccc(NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)c1 223524484 MQLDPRZKJCVTHV-UHFFFAOYSA-N 440.521 3.676 0 40 IHAB CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(Br)cc1 223580439 CHQUGZCTXOGLQF-INIZCTEOSA-N 433.346 3.690 0 40 IHAB Cc1cccc(C)c1N(CC(=O)NCCOc1ccccc1C(C)(C)C)S(C)(=O)=O 223680370 CCQLUABTQHNUOC-UHFFFAOYSA-N 432.586 3.562 0 40 IHAB CC(C)(C)c1ccccc1OCCNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 223740674 GZYHVFJVFAMTQE-UHFFFAOYSA-N 444.597 3.580 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC(=O)NCC2CCCCC2)c2ccccc2)cc1 223743268 LRNVNEZVGGAATK-UHFFFAOYSA-N 430.570 3.977 0 40 IHAB CCN(c1ccc(C(=O)N2CC(=O)Nc3ccccc32)cc1)S(=O)(=O)c1ccccc1 224364812 ZEPHJQVBRDQHGA-UHFFFAOYSA-N 435.505 3.501 0 40 IHAB CCOC(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224952628 NXZHYPQEUHNOLE-UHFFFAOYSA-N 427.906 3.506 0 40 IHAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCc2ccccc2)cc1OC 225608530 MDNGIUPBXKIDIY-SILNSSARSA-N 436.533 3.895 0 40 IHAB O=S(=O)(c1ccc(Br)s1)N1CCC(Oc2ccncc2Cl)CC1 253471260 BRBIRQKYEDVHMY-UHFFFAOYSA-N 437.768 3.791 0 40 IHAB C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)N(C(=O)Cn3cccn3)[C@H]1CCCCC(=O)N2 257204713 AVZBEJAROGAFMU-WFXMLNOXSA-N 434.462 3.693 0 40 IHAB CC(=O)N[C@H]1CC[C@](CNC(=O)c2cccc(C(F)(F)F)c2)(c2ccccc2)CC[C@@H]1O 257280122 OJNJKDYATLWDTL-FUDKSRODSA-N 448.485 3.813 0 40 IHAB Cn1ccc(C(=O)Nc2ccccc2C(=O)N2CC[C@@H](Cc3cccc4ncccc34)C2)n1 257308436 TWRKHCKYIQRAIS-SFHVURJKSA-N 439.519 3.925 0 40 IHAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 260890431 DCMZJWFREQOORL-RXVVDRJESA-N 442.581 3.814 0 40 IHAB CC[C@@H](NC(=O)[C@H](C)N(c1cccc(OC)c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 260951637 YTDXVLBWCJRPNA-GAJHUEQPSA-N 444.597 3.996 0 40 IHAB CCC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1Cl 408562721 RSQGKYWKDXTJAI-CYBMUJFWSA-N 428.913 3.964 0 40 IHAB CCc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(Br)cc3)CC2=O)cc1 409153311 MRIREDZGSWPOMX-HNNXBMFYSA-N 445.313 3.546 0 40 IHAB CCOc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c2ccccc12 409201860 OPMQRFHQJIYHFE-DEDYPNTBSA-N 433.439 3.909 0 40 IHAB CCOc1cc(Br)c(Cc2noc(-c3ccn(C)c(=O)c3)n2)cc1OCC 544917545 NCYMCESVHNTSAK-UHFFFAOYSA-N 434.290 3.586 0 40 IHAB CC(C)Sc1ccc(CC(=O)NCCN2c3ccccc3N(C3CC3)S2(=O)=O)cc1 585147639 LEXOFJMVFQEEDW-UHFFFAOYSA-N 445.610 3.580 0 40 IHAB Cc1ccc(NS(=O)(=O)c2ccc(C)c(NS(=O)(=O)c3c(C)noc3C)c2)c(C)c1 612058525 IFETZLVHJFVCSA-UHFFFAOYSA-N 449.554 3.818 0 40 IHAB CC(C)C(=O)N1CCCCCCCNCc2cc(C(=O)NCCCN3CCCC3)ccc21 643583891 NLWKQPDMLMQAJV-UHFFFAOYSA-N 442.648 3.945 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(Sc2nccc(Sc3ccccn3)n2)nc1 1615627381 STPTXKDHSYRCRF-UHFFFAOYSA-N 433.584 3.600 0 40 IHAB CC(=O)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(C(=O)O)cc3)C(=O)[C@H]12 716550 WFUPUDMUCATRAO-FPAXGFGJSA-N 437.451 3.525 0 40 IHAB CC[C@@H](C)OC(=O)[C@@H](C)n1cnc2sc(C(=O)Nc3ccccc3OC)c(C)c2c1=O 791242 SEMDPWIKESWLTE-TZMCWYRMSA-N 443.525 3.930 0 40 IHAB CCOC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 1467278 ZISUADLJNWXASH-NRFANRHFSA-N 426.538 3.972 0 40 IHAB COc1ccc(-n2c(SCCNCCO)nnc2-c2ccc(C(C)(C)C)cc2)cc1 3359386 DVVAGNZKLKNGNH-UHFFFAOYSA-N 426.586 3.914 0 40 IHAB CC(=O)c1ccc(NC(=O)CN2C(=O)N[C@](Cc3ccccc3)(c3ccccc3)C2=O)cc1 3502879 FZJLHAZUXMKHSO-AREMUKBSSA-N 441.487 3.518 0 40 IHAB O=C(CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)NCCC1=CCCCC1 6066485 KTRZBYJKOFZVRQ-GOSISDBHSA-N 427.570 3.674 0 40 IHAB CCCCn1c(CCC(=O)Nc2ccc(F)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 6277191 OJXXTIJSTAEHNG-UHFFFAOYSA-N 446.548 3.797 0 40 IHAB O=C(CCCCCNc1nc(S)nc2ccccc12)N1CCN(c2ccccn2)CC1 6504671 UNDOMHCGBQTUTD-UHFFFAOYSA-N 436.585 3.635 0 40 IHAB COc1ccc(CCN(C)C(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1OC 7957955 ZCAWKILYWNFUIJ-IBGZPJMESA-N 425.529 3.649 0 40 IHAB COc1cccc(N2CCN(C(=O)c3ccc(CNC(=O)OC(C)(C)C)cc3)CC2)c1 7962253 LXAWFBUQVUIJMN-UHFFFAOYSA-N 425.529 3.682 0 40 IHAB O=C(N[C@H]1CCN2C(=O)c3cc(-c4cccs4)ccc3NC(=O)[C@H]12)c1cccc(F)c1 8296726 USTFQAQHWUDILW-ICSRJNTNSA-N 435.480 3.519 0 40 IHAB biogenic,in-vitro COc1ccc2[nH]cc(CCNC[C@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@H](O)[C@H]34)c2c1 8762989 BJRTZLZJYHGJHK-STULZOQMSA-N 438.568 3.594 0 40 IHAB CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(NC2CCCC2)s1 8912480 DBWUHCJKIWWQOM-UHFFFAOYSA-N 428.601 3.823 0 40 IHAB O=C(c1cc(-c2ccccc2)c(N2CCOCC2)s1)N1CCN(c2ccccc2O)CC1 9221365 XVIHIPQCNKHLID-UHFFFAOYSA-N 449.576 3.920 0 40 IHAB CCCNC(=O)[C@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1c1ccc(OC)c(Cl)c1 9238714 VGIBQERBPUDXEA-ROUUACIJSA-N 443.960 3.892 0 40 IHAB CCOc1ccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1OCC 9317051 QEVRGHWMUOIEFE-UHFFFAOYSA-N 446.569 3.840 0 40 IHAB CN(Cc1ccsc1)C(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 9337780 RKWRWUSNDXCTEO-UHFFFAOYSA-N 430.507 3.550 0 40 IHAB C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccc(-n2cncn2)cc1 9377270 NQKYMHCFVIPXHZ-VQIMIIECSA-N 437.931 3.650 0 40 IHAB O=C([C@@H]1CN(C(=O)c2ccc(Oc3ccccc3)cc2)c2ccccc2O1)N1CCOCC1 9575505 MDKHLDBOQPNUAJ-DEOSSOPVSA-N 444.487 3.746 0 40 IHAB COc1ccccc1Nc1nc(Nc2ccc(F)c(Cl)c2)nc(N2CCOCC2)n1 9708868 ZNYHEGWRZDNHLD-UHFFFAOYSA-N 430.871 3.997 0 40 IHAB COc1ccc(-c2csc(NC(=O)CCN3C(=O)COc4ccccc43)n2)cc1F 9803028 QFAJVTQDPZDYOE-UHFFFAOYSA-N 427.457 3.712 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(C(F)(F)F)cc3)C2)cc1 9974476 CCKKWCWXVMOQDS-AWEZNQCLSA-N 442.459 3.753 0 40 IHAB O=C(NCCc1ccc(Cl)cc1)c1cc(N2CCCCS2(=O)=O)ccc1Cl 12195529 MKUMLCJHKSDJRS-UHFFFAOYSA-N 427.353 3.896 0 40 IHAB CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)N2CCN(c3cccc(OC)c3)CC2)CC1=O 12538163 BHYNISNZYVEFRQ-WOJBJXKFSA-N 435.568 3.910 0 40 IHAB O=C(CN1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21)Nc1ccc(F)c(Cl)c1 12555018 WTGPZWYKSRWDKG-HXUWFJFHSA-N 431.895 3.698 0 40 IHAB C[C@@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)N(C)Cc1ccc(F)cc1F 12740115 ZZJOMSQFLNJTQV-NSHDSACASA-N 427.373 3.789 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@H](CC(C)C)N[C@]23C(=O)Nc2ccccc23)cc1 12890002 CVVXQQPMKQIYLQ-NNPDTBDGSA-N 435.524 3.674 0 40 IHAB biogenic O=C(CCN1C(=O)CSc2ccccc21)Nc1ccccc1I 12949692 DMDPKRQQWBAZTR-UHFFFAOYSA-N 438.290 3.759 0 40 IHAB COc1cc(OC)c(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCC4)cc1Cl 12989094 AZFYZIYHYPBFFS-UHFFFAOYSA-N 433.917 3.715 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)COc2ccccc2C)c1 13039024 OFFCMMDQGUEAGI-UHFFFAOYSA-N 445.585 3.643 0 40 IHAB C[C@H](NC(=O)CN[C@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccc(-c2ccccc2)cc1 13113106 MRBNTRMQHFRSKC-MSOLQXFVSA-N 437.565 3.529 0 40 IHAB COc1ccc(CCNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1OC 13679257 MMQWYWIBFUZLRO-UHFFFAOYSA-N 446.550 3.539 0 40 IHAB COc1cc(NC(=O)[C@H]2CCCN(C(=O)c3ccc4[nH]ccc4c3)C2)cc(OC)c1OC 13682626 REEWDEQIZHBUPF-KRWDZBQOSA-N 437.496 3.685 0 40 IHAB O=c1oc2c3c(ccc2cc1-c1ccc(Cl)cc1)OCN(CCCN1CCOCC1)C3 13735135 MHFTZUFYAKHFLY-UHFFFAOYSA-N 440.927 3.988 0 40 IHAB biogenic CCn1c(CC(=O)Nc2ccccc2F)nnc1S[C@H](C)C(=O)NC1CCCCC1 13956410 QCBNAUATFLNTBK-CQSZACIVSA-N 433.553 3.548 0 40 IHAB O=C(c1cc(F)c(F)cc1Cl)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 13986716 HBMXEOTVHPFHEP-GFCCVEGCSA-N 433.842 3.676 0 40 IHAB COC[C@@H](Cc1ccc(OC)c(OC)c1)[C@H](COC)Cc1cc(OC)c2c(c1)OCO2 15272054 RCFGIEPQSDGMJJ-MOPGFXCFSA-N 432.513 3.752 0 40 IHAB biogenic,in-vitro Cc1c(C(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)oc2ccc(F)cc12 15854006 RRFBJJNARRVMAA-KBPBESRZSA-N 446.500 3.931 0 40 IHAB CNc1cc(C(=O)N2CC[C@@](Cc3cccc(-c4ccccc4)c3)(C(=O)N(C)C)C2)ccn1 19592067 KTQDGZTXAAQWJW-MHZLTWQESA-N 442.563 3.954 0 40 IHAB Nc1nc(CN2CCN(Cc3ccccc3)CC2)nc(Nc2cccc(C(F)(F)F)c2)n1 19944526 UFFYHSSBXFQMNS-UHFFFAOYSA-N 443.477 3.534 0 40 IHAB CCc1nn2c(nnc3c(=O)n(-c4ccc5c(c4)OCCO5)ccc32)c1-c1ccc(F)cc1 19962748 VRJOYPSPANFJHM-UHFFFAOYSA-N 443.438 3.568 0 40 IHAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 20458140 SPJAYWTWBDSSRS-FQEVSTJZSA-N 441.509 3.687 0 40 IHAB CCn1nc(C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)c2ccccc2c1=O 21209028 BCCJTVQLUVASRC-UHFFFAOYSA-N 431.452 3.583 0 40 IHAB CCOC(=O)c1ccc(OCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)cc1 21443266 INTXVOSNSGAHGC-QGZVFWFLSA-N 436.386 3.548 0 40 IHAB CC(C)Oc1ccc(N(CC(=O)Nc2ccccc2Br)S(C)(=O)=O)cc1 22382527 LBBCDFUOAQLSGE-UHFFFAOYSA-N 441.347 3.641 0 40 IHAB COC(=O)c1ccc(NC(=O)[C@@H]2CCCN(c3ccc(-c4ccc(F)cc4)nn3)C2)cc1 23142867 XGZCFNMPOMYJCQ-GOSISDBHSA-N 434.471 3.924 0 40 IHAB O=C(NC[C@@H]1CCCO1)c1ccccc1NS(=O)(=O)Cc1c(Cl)cccc1Cl 26111059 GJEOJUBJFNRGKS-ZDUSSCGKSA-N 443.352 3.844 0 40 IHAB COc1ccc(/C=C/c2nc3s/c(=C\c4ccccc4Br)c(=O)n3n2)cc1 27022528 XHAMGHLRFKVSSP-JUBDITTISA-N 440.322 3.640 0 40 IHAB C[C@H](Oc1ccccc1F)C(=O)N(Cc1cccc2ccccc12)[C@H]1CCS(=O)(=O)C1 28228564 BXDRPPSBTICQEX-PXNSSMCTSA-N 441.524 3.962 0 40 IHAB CC(=O)Nc1ccc(S(=O)(=O)Nc2cnn(Cc3cccc(C(F)(F)F)c3)c2)cc1 28577196 BZSCKESZPNZDTE-UHFFFAOYSA-N 438.431 3.709 0 40 IHAB COc1cc(Cl)c(C)cc1N[C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 28806379 OTNXAVJNEOKRNB-CQSZACIVSA-N 428.920 3.894 0 40 IHAB C[C@H](NC(=O)c1cn(-c2ccccc2C(F)(F)F)nn1)c1ccc2c(c1)OCCCO2 32283962 NOXKCSHIUXBAAV-ZDUSSCGKSA-N 432.402 3.938 0 40 IHAB O=C(CS(=O)(=O)c1ccc(Cl)cc1)NC[C@@H](c1ccccc1Cl)N1CCCC1 32732092 CNHYQFHJLHDCEG-IBGZPJMESA-N 441.380 3.720 0 40 IHAB CSCC[C@@H](NC(=O)C[C@@H]1Sc2ccccc2NC1=O)c1nc2ccccc2[nH]1 32843742 FPBOXHFNXNWQMM-AEFFLSMTSA-N 426.567 3.976 0 40 IHAB CCCC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1cc2cc(OC)ccc2[nH]c1=O 35313419 HZHDMCCXDKQYCX-DEOSSOPVSA-N 436.508 3.828 0 40 IHAB O=C(CSc1cc(N2CCN(c3ccccc3F)CC2)ncn1)Nc1ccccc1F 38925538 YRMXHJFYGCFJLG-UHFFFAOYSA-N 441.507 3.812 0 40 IHAB COc1cccc([C@H]2[C@@H](Oc3ccccc3Cl)C(=O)N2CCCCN2CCOCC2)c1 48342266 GOJMGXOMMKGWMT-XZOQPEGZSA-N 444.959 3.792 0 40 IHAB COCCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3ccccc3Cl)c2c1=O 48987181 YYMHEGOINSDPMS-UHFFFAOYSA-N 436.899 3.804 0 40 IHAB O=C(CN1CCN(c2ncnc3sc(-c4ccccc4)cc23)CC1)N1CCCCCC1 58160628 VWVZUMOYRWTHCF-UHFFFAOYSA-N 435.597 3.883 0 40 IHAB C[C@H](C(=O)c1ccc2c(c1)CCC2)n1nnc(-c2ccccc2I)n1 58369309 RKJOIDOYYUKLLZ-GFCCVEGCSA-N 444.276 3.877 0 40 IHAB O=C(OCC(=O)N1CCC[C@H](C(F)(F)F)C1)c1c[nH]c2ccc(Br)cc12 61061380 MPSHQUGWCGONGJ-JTQLQIEISA-N 433.224 3.888 0 40 IHAB Cc1cc(C)n(CC(=O)Nc2ccc(F)c(Cl)c2)c(=O)c1S(=O)(=O)c1ccccc1 64838514 RLCHZHXZYSJWOW-UHFFFAOYSA-N 448.903 3.729 0 40 IHAB CC(C)(C)c1noc(-c2cccnc2-n2cnc(C(=O)NCCCc3ccccc3)c2)n1 71768627 KRNPOTICWFKMFA-UHFFFAOYSA-N 430.512 3.977 0 40 IHAB CCCC[C@@](C)(O)[C@H]1C[C@@]23C=C[C@]1(OC)[C@@]1(C)Oc4c(O)ccc5c4[C@@]12CCN(C)[C@@H]3C5 96316376 NODDVOPQRZIFJX-GCZKJHQNSA-N 439.596 3.944 0 40 IHAB biogenic,in-vitro CN1C(=O)[C@@]2(Nc3ccccc3C(=O)N2C[C@@H](c2ccccc2)N(C)C)c2ccccc21 101638203 ZUMVUJUNFASJBG-JYFHCDHNSA-N 426.520 3.687 0 40 IHAB CS(=O)(=O)N(Cc1ccc(C(=O)NCc2ccc(F)cc2)cc1)c1ccccc1F 113964125 HTZFABPUVWLKMS-UHFFFAOYSA-N 430.476 3.861 0 40 IHAB Cc1ccc(OC[C@H](C)NC(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 219636428 WFVGNYYOFPGSMW-KRWDZBQOSA-N 438.977 3.778 0 40 IHAB O=C(Nc1ccccc1Br)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 219748307 UGYONLSUNOYSHO-MRXNPFEDSA-N 443.750 3.894 0 40 IHAB COc1ccc(N([C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1OC 220227964 MXVDFLWXUXRXPM-NSHDSACASA-N 447.340 3.804 0 40 IHAB CC[C@@H](C(=O)Nc1cc(OC)ccc1OC)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O 220728433 PPLWWNVYCXMZGL-SFHVURJKSA-N 440.949 3.849 0 40 IHAB C[C@@H]1Cc2ccccc2N1C(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl 222827091 YATXINFODNMXEB-OAHLLOKOSA-N 448.972 3.918 0 40 IHAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2C2CCCCC2)N1CCN1CCOCC1 223149854 WXLQYVBAIAIHQG-XZOQPEGZSA-N 439.629 3.693 0 40 IHAB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1cc(C)c(Br)c(C)c1 223534776 DEGNLJQVJBZNDF-KRWDZBQOSA-N 447.373 3.998 0 40 IHAB Cc1cc(C(=O)NCCOc2ccc(F)cc2)ccc1NS(=O)(=O)c1ccccc1 224090092 YJCSSMNNBIGTMF-UHFFFAOYSA-N 428.485 3.744 0 40 IHAB CCNS(=O)(=O)c1cc(C(=O)Nc2cccc(-c3csc(C)n3)c2)ccc1OC 226045073 DJLWXZJHDIIPGP-UHFFFAOYSA-N 431.539 3.678 0 40 IHAB COc1ccc(C(=O)O)cc1[C@H]1C[C@@](C)(NC(=O)CCO)C[C@@H](c2ccc(Cl)cc2)O1 257264216 LTJSMXZHKNZEGN-MZKRTTBSSA-N 447.915 3.897 0 40 IHAB Cc1ncsc1C(=O)N1CCC[C@@]2(CCCCc3ccccc3OCC(=O)NC2)C1 257283711 OZMMGWIYZLXWLJ-HSZRJFAPSA-N 427.570 3.596 0 40 IHAB CCOc1cc(N2CCOCC2)ccc1[C@H]1OCC[C@@]23C[C@@H](C[C@H]12)C(C)(C)[C@@H]3NC(C)=O 257344862 ZYYAHAYCFYKBJK-PPYQYREOSA-N 442.600 3.940 0 40 IHAB Cc1cnc(C(=O)N2Cc3cn(Cc4ccccn4)nc3-c3ccn(C(C)C)c3C2)cn1 306135112 OICFPLJYLMYRQS-UHFFFAOYSA-N 427.512 3.630 0 40 IHAB CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2Br)cc1 408536426 ZJPLXXKHABKTAL-UHFFFAOYSA-N 441.347 3.545 0 40 IHAB COc1ccccc1CNS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccc2F)c1 408558542 RVYWDVNGEOZKOK-UHFFFAOYSA-N 444.484 3.574 0 40 IHAB Cc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1OCC(=O)NC1CCCCC1 408624468 QJBMCFAZQSHSPV-UHFFFAOYSA-N 442.581 3.964 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NC3CCCC3)c(Cl)c2)cc1 408635597 FPYLFXOXHWURMF-UHFFFAOYSA-N 438.933 3.587 0 40 IHAB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1cccs1 408659542 VXRWTSUZXCGPBD-ZIAGYGMSSA-N 430.913 3.817 0 40 IHAB COc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)NC3CCCCC3)c2)cc1OC 408676324 NDFYJARLJDSSEU-UHFFFAOYSA-N 448.541 3.576 0 40 IHAB CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccccn3)cc2)cc1 408703528 RYZNGXKZHAATPA-UHFFFAOYSA-N 427.551 3.559 0 40 IHAB CCc1ccc(N2C(=O)/C(=C/c3ccc(O)c(Cl)c3)N(CC(=O)OC)C2=S)cc1 409057343 JZNOYUOSDRGTBL-BOPFTXTBSA-N 430.913 3.756 0 40 IHAB Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(OC(C)C)cc2)C1 409137454 WMVSRDILZBZFKN-INIZCTEOSA-N 444.915 3.970 0 40 IHAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1Cl 409389764 IXTDZDOIPZNZOT-SECBINFHSA-N 437.732 3.961 0 40 IHAB CCOc1ccc(Cc2cc(C(=O)[C@@H]3O[C@@H]4OC(C)(C)O[C@@H]4[C@@H]3O)ccc2Cl)cc1 504093948 TUBVOYXRJBKZBN-CIAFKFPVSA-N 432.900 3.750 0 40 IHAB Cc1ncsc1C(=O)N1CCC[C@@]2(CCCCc3ccccc3OCCNC2=O)C1 643560620 WZHRMUPDELAIDX-QHCPKHFHSA-N 427.570 3.596 0 40 IHAB Cc1c(Cl)cccc1S(=O)(=O)N1CCC(c2nnc3ccc(C4CC4)nn23)CC1 1888922175 PQEVYOHCKPZGDY-UHFFFAOYSA-N 431.949 3.532 0 40 IHAB Cc1ccc(N(C(=O)c2csnn2)[C@H](C(=O)NC2CCCC2)c2cccnc2)c(C)c1 1357402 JINPFDNYENDFAB-NRFANRHFSA-N 435.553 3.997 0 40 IHAB CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)cc1 3287610 FADBUXJEQLJRJG-UHFFFAOYSA-N 440.477 3.867 0 40 IHAB O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)N[C@@H]1CCCc2ccccc21 7264110 BTXMKBYIYUSSPC-HSZRJFAPSA-N 426.582 3.988 0 40 IHAB COCCn1c(SCC(=O)N[C@H](C)c2ccc(F)cc2)nc2sc(C)c(C)c2c1=O 8769426 FVFZUPKIIBQKSZ-CYBMUJFWSA-N 449.573 3.830 0 40 IHAB CCCNc1nc(SC)nc2c1cnn2CCNC(=O)c1ccc(OC(C)C)cc1 8940376 RPTWCZNMMULIAL-UHFFFAOYSA-N 428.562 3.587 0 40 IHAB Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(Cl)cc3)n(C)c2=O)c1 9308875 TUZLEYVJZIMIME-UHFFFAOYSA-N 449.942 3.757 0 40 IHAB COc1ccc2c(c1)[C@H]1C[C@](C)(NC(=O)[C@H]1S(=O)(=O)c1ccc(C(C)(C)C)cc1)O2 9407634 HXMNWPBJRRRFTN-QMHWCDLVSA-N 429.538 3.547 0 40 IHAB CN(C)c1ccc([C@H](CNC(=O)CNC(=O)c2cccs2)c2c[nH]c3ccccc23)cc1 9469759 JVHSNHZVVNOINK-FQEVSTJZSA-N 446.576 3.974 0 40 IHAB O=S(=O)(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1cccc(Cl)c1Cl 9493723 MXFPPRHZUSLNHW-UHFFFAOYSA-N 449.381 3.969 0 40 IHAB O=S(=O)(Nc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCC2)c1ccccc1F 9569482 XIDRTEFWAJPEPO-UHFFFAOYSA-N 446.525 3.768 0 40 IHAB O=c1c2ncccc2n(Cc2ccc(C(F)(F)F)cc2)c(=O)n1CCc1ccccc1 9660738 SDCZHTPGFITZQR-UHFFFAOYSA-N 425.410 3.868 0 40 IHAB Cc1cc(C(=O)Cn2nnc(-c3ccc(Br)cc3)n2)c(C)n1C[C@H]1CCCO1 9724737 YUPKRJBRSLOYNB-QGZVFWFLSA-N 444.333 3.583 0 40 IHAB COc1ccc(-c2csc(NC(=O)c3cccc(S(=O)(=O)NC(C)C)c3)n2)cc1F 9803251 FHCGOMDVEAMRNK-UHFFFAOYSA-N 449.529 3.897 0 40 IHAB O=C(NCc1ccc(S(=O)(=O)N2CCCC2)s1)c1csc(-c2ccccc2)n1 10776362 DZYPNEIDAFAXAZ-UHFFFAOYSA-N 433.580 3.586 0 40 IHAB CC1(C)Cc2nc(-c3ccncc3)ncc2[C@@H](NC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)C1 12221120 ZYKTWSOOBXUKIB-AVRDEDQJSA-N 447.583 3.850 0 40 IHAB CCOC(=O)N1CCN([C@@H](C(=O)O)c2c[nH]c3ccc(OCc4ccccc4)cc23)CC1 12407580 BMSREMXKTWEQPT-JOCHJYFZSA-N 437.496 3.647 0 40 IHAB C[C@@H](Sc1nnc(CN2CCCCC2)n1-c1ccccc1)C(=O)NCc1ccco1 12553685 HXJMBAYIZLDWQX-QGZVFWFLSA-N 425.558 3.643 0 40 IHAB COc1cc(OC)cc(C(=O)N(Cc2nc(-c3ccc(OC)c(OC)c3)no2)C(C)C)c1 12654515 DLOJBZUGRFXZLW-UHFFFAOYSA-N 441.484 3.822 0 40 IHAB Cc1sc2nc([C@H]3S[C@@](c4ccccc4)(C(F)(F)F)NC3=O)[nH]c(=O)c2c1C 12946247 HAMZKWOORWGIQF-PXAZEXFGSA-N 425.457 3.921 0 40 IHAB Cc1cc(C)c2cc(C(=O)N3CCC(NS(=O)(=O)c4ccccc4)CC3)[nH]c2c1C 13012870 POVJWLNVDLRYPO-UHFFFAOYSA-N 425.554 3.676 0 40 IHAB Cc1cc(C)cc(N(CC(=O)NC2CCCC2)C(=O)CCC(=O)Nc2nc(C)cs2)c1 13150890 BKMVOSKXCJERSL-UHFFFAOYSA-N 442.585 3.879 0 40 IHAB COc1ccc(-c2nc(CC(=O)NC[C@H](c3cccs3)N3CCOCC3)cs2)cc1 14245933 CODBLFHIXNQZRJ-LJQANCHMSA-N 443.594 3.612 0 40 IHAB O=C([C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cc(Cl)ccc1Cl)N1CCCC1 14254875 GZDIMXNLKIUSCQ-SFHVURJKSA-N 439.364 3.731 0 40 IHAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CNc1ccc(C(C)=O)cc1 15085057 DZRTZHBDCPHPLD-UHFFFAOYSA-N 441.528 3.574 0 40 IHAB Cc1ccc(NC(=O)C[C@H]2OC(=O)c3ccccc32)cc1S(=O)(=O)N1CCCCCC1 15312838 VQQHRGSYXFBYJV-HXUWFJFHSA-N 442.537 3.800 0 40 IHAB CCCCC(=O)Nc1ccc(C(=O)OCc2cc(=O)n3nc(CCC)sc3n2)cc1 15772381 LZWVYHLGHJWZSZ-UHFFFAOYSA-N 428.514 3.589 0 40 IHAB Cc1c(Cl)cccc1N(CC(=O)Nc1ccc(Br)cc1F)S(C)(=O)=O 16249972 UAAVYECDMCUOJS-UHFFFAOYSA-N 449.729 3.955 0 40 IHAB COc1ccc(OC)c(-c2csc(NC(=O)Cc3csc(N4CCCC4=O)n3)n2)c1 18085290 MBWWZBZBQIYTAV-UHFFFAOYSA-N 444.538 3.592 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc(N(C)C)ncc2-c2ccncc2C)cc1 19211440 SESPYLDXODMNBT-OAQYLSRUSA-N 437.569 3.747 0 40 IHAB O=C(c1ccccc1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(Cc1cccs1)CC2 19368848 GARDFIQZMWPFMG-OAQYLSRUSA-N 434.565 3.757 0 40 IHAB CCN(C(=O)[C@@H](C)N1CC2(CCOCC2)Oc2ccc(C)cc2C1=O)C1CCCCC1 19526133 RHYDDOTXHHCLEA-LJQANCHMSA-N 428.573 3.949 0 40 IHAB COc1cc(CN2CCN(C)C(=O)[C@@H](Cc3ccc(-c4cccnc4)cc3)C2)cc(OC)c1 19589447 KVXJDZUHCYXKDE-DEOSSOPVSA-N 445.563 3.899 0 40 IHAB CN(C)S(=O)(=O)N1CCC[C@H](c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)C1 19688188 ALBQOEMPACAPRT-KRWDZBQOSA-N 427.492 3.677 0 40 IHAB COc1cc(C)c(C)cc1S(=O)(=O)N1[C@@H](c2ccccc2F)C[C@@H]2NC(=O)CCC[C@H]21 19713820 VIZALXMWAZOHGD-XUVXKRRUSA-N 446.544 3.624 0 40 IHAB COc1ccc(CN2C(=O)Cc3c(C)nc([C@H]4CCCN4C(=O)c4ccccc4)nc32)cc1 19739789 IOBQTXGUHJUBAR-JOCHJYFZSA-N 442.519 3.860 0 40 IHAB CCCc1cc(C(=O)N2CCC[C@H]2c2ncc(C(=O)Nc3ccccc3OC)c(C)n2)no1 19755425 KASMAFXVHYNATP-FQEVSTJZSA-N 449.511 3.964 0 40 IHAB CCOc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 19860149 KQGDEFVKIOEKMO-QGZVFWFLSA-N 436.961 3.919 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccc(F)c(F)c2)cc1Cl 20015852 HHYVAUJTDZJCFV-UHFFFAOYSA-N 432.876 3.666 0 40 IHAB COc1ccccc1CN(C)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 20481247 YXCHSJWUXLQQAG-UHFFFAOYSA-N 438.549 3.858 0 40 IHAB CCOc1ccc([C@H](C)NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 20492106 UMBZLIVUPMEDDG-AWEZNQCLSA-N 444.475 3.748 0 40 IHAB CCCn1nc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)ccc1=O 22182052 SLYYPKMNDFWDNN-UHFFFAOYSA-N 434.374 3.770 0 40 IHAB Cc1nc(-c2ccco2)nc2sc(C(=O)Nc3ccc(N4CCN(C)CC4)nc3)c(C)c12 22509384 AQKZJRAWXAOYOZ-UHFFFAOYSA-N 448.552 3.967 0 40 IHAB CCCCNS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1 22537030 UHMUJLGLHVGAFS-IBGZPJMESA-N 432.586 3.946 0 40 IHAB Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3cc(C(N)=O)ccc3N3CCCC3)c12 22602992 RGCQTDOTTBAVJV-UHFFFAOYSA-N 431.452 3.743 0 40 IHAB O=C1c2ccccc2C(=O)N1CCN1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 22994853 PBPSHVDRATWPLB-UHFFFAOYSA-N 431.458 3.509 0 40 IHAB COc1ccc2nc(N(CCN3CCOCC3)C(=O)c3ccc(Cl)s3)sc2c1 22998436 JRQOZRWGSCYGDX-UHFFFAOYSA-N 437.974 3.999 0 40 IHAB Cc1noc(C)c1COc1ccc(CC(=O)NC[C@H](c2ccccc2)N2CCOCC2)cc1 23099799 JJWWIQBYTBPPON-RUZDIDTESA-N 449.551 3.603 0 40 IHAB COC(=O)c1ccc(CSc2nnc(N3CCN(c4ccccc4OC)CC3)s2)o1 23139943 FHHDEFFKGJBUKK-UHFFFAOYSA-N 446.554 3.545 0 40 IHAB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)c1ccc2c(c1)C(=O)N(C)C2=O 24504641 UELFFBOJHXLIOS-INIZCTEOSA-N 441.487 3.998 0 40 IHAB C[C@H](NC(=O)N(C)CC(=O)Nc1cccc2ccccc12)c1ccc(S(C)(=O)=O)cc1 25052429 IKNPQIMMTSBWDJ-INIZCTEOSA-N 439.537 3.584 0 40 IHAB O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)Nc1ccccc1OCC(F)(F)F 25465952 BERHHBSRVBBTOB-UHFFFAOYSA-N 445.323 3.939 0 40 IHAB CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(Cn4cc(Cl)cn4)cc3)sc2c1 27969684 SUUJUSPZVUHKSU-UHFFFAOYSA-N 446.941 3.850 0 40 IHAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 30871190 RMJBTDBLZIYSCZ-NRFANRHFSA-N 441.509 3.687 0 40 IHAB COc1ccc([C@@H](C)NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 32109961 RFTRERDFBMEFLE-QGZVFWFLSA-N 442.512 3.907 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccc(OS(=O)(=O)N(C)Cc3ccccc3)cc2)cc1 32770653 KULLGUPTJDMWJD-UHFFFAOYSA-N 446.550 3.551 0 40 IHAB Cc1cc(Br)ccc1NC(=O)CNC(=O)NCCCOC1CCCCC1 32795211 UFXRNCHVOZYKLY-UHFFFAOYSA-N 426.355 3.735 0 40 IHAB COc1ccc(N(CC(F)(F)F)C(=O)CSc2nnnn2C2CCCCC2)cc1 32850465 YVGRWYNBZAODRD-UHFFFAOYSA-N 429.468 3.875 0 40 IHAB Cc1cccc(S(=O)(=O)NC[C@H](c2ccc(F)cc2)S(=O)(=O)c2cccs2)c1 33326595 MHQVCCNFLQCDGM-GOSISDBHSA-N 439.555 3.689 0 40 IHAB O=C(CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)c1c[nH]c2ccccc12 35349115 SHVXKWFSPMEBJZ-UHFFFAOYSA-N 433.533 3.510 0 40 IHAB CC1=NN(c2ccccc2)C(=O)[C@@]12Cc1cc(Br)ccc1N1CCN(C)C[C@@H]12 36056320 BFOGSGSBDUJOMY-IRLDBZIGSA-N 439.357 3.535 0 40 IHAB biogenic Cc1ccc2[nH]c(C)c(CC(=O)Nc3cc(C(C)(C)C)nn3[C@H]3CCS(=O)(=O)C3)c2c1 40070210 HZESWNNCMAWXJJ-INIZCTEOSA-N 442.585 3.820 0 40 IHAB COc1ccc(NC(=O)CNc2ccccc2Cl)cc1S(=O)(=O)N1CCCCC1 48310934 QRHVJHHZLHSZPQ-UHFFFAOYSA-N 437.949 3.574 0 40 IHAB CCc1ccc(NC(=O)Cn2cc(-c3ccccc3)c3ncn(CCOC)c(=O)c32)cc1 48987972 XAYVSSGEVHOQHF-UHFFFAOYSA-N 430.508 3.713 0 40 IHAB O=C(O)[C@@H]1CC(=O)N(c2ccc3nc(-c4cccc(I)c4)oc3c2)C1 70461343 WHLZPINDTCHDOT-LLVKDONJSA-N 448.216 3.537 0 40 IHAB Cc1cc(CN2CCC(N(C)Cc3nnc(-c4ccc(Br)cc4)o3)CC2)on1 72308325 UGIFEVMUQIOXDZ-UHFFFAOYSA-N 446.349 3.892 0 40 IHAB Cc1nnc(-c2ccc(NC(=O)NC[C@H](O)COc3cccc(C(F)(F)F)c3)cc2)o1 72309736 WVVHICGCBQJYQN-INIZCTEOSA-N 436.390 3.625 0 40 IHAB CN(C)c1cccc(OCC(=O)NCc2cccc(-c3n[nH]cc3-c3ccncc3)c2)c1 72345004 XANZXCSFOJQZNF-UHFFFAOYSA-N 427.508 3.900 0 40 IHAB CCN1CCN(C(=O)Cc2cccc(OC)c2)[C@@H](Cc2ccccc2-c2ccncc2)C1=O 72351338 REXUOGIUQJRUAM-VWLOTQADSA-N 443.547 3.602 0 40 IHAB O=C(CCSc1ccccc1)Nc1cc(N2CCN(Cc3ccccc3)CC2)ncn1 77100904 PBLWVQUBHPWYCU-UHFFFAOYSA-N 433.581 3.920 0 40 IHAB Cc1c(NC(=O)[C@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)c(=O)n(-c2ccccc2)n1C 79055040 TZKZMCHVSIZTPI-RBUKOAKNSA-N 442.560 3.897 0 40 IHAB Cc1cc(=O)c(C(=O)N[C@H]2C[C@H]2c2cccc(F)c2)nn1-c1ccccc1C(F)(F)F 84072136 UXYSPZDCFUFBNW-RDJZCZTQSA-N 431.389 3.985 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(OC)cc(OC)c1 89267831 AUOUTZBQZLAIMP-UHFFFAOYSA-N 448.541 3.529 0 40 IHAB O=C(NCCc1ccncc1)c1cc(-c2csc(-c3cnccn3)n2)n2ccccc12 96154851 YLUFQSIQMZMNJN-UHFFFAOYSA-N 426.505 3.887 0 40 IHAB CC[C@@H](C(=O)N[C@H](CC)c1ccc(OC)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O 220658520 WYGQPLLWOYPSIO-RTWAWAEBSA-N 434.558 3.516 0 40 IHAB CC[C@@H](C(=O)NCCOc1ccc(C)cc1)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O 220739249 KQCQWIOYTWQBBD-FQEVSTJZSA-N 438.977 3.697 0 40 IHAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(OC)cc1 222545090 ABQCGFPUQWDCGL-FDDCHVKYSA-N 426.557 3.968 0 40 IHAB C[C@@H](NC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1)c1ccc2c(c1)CCCC2 222982146 FOEPAISMEYEHDN-GOSISDBHSA-N 426.582 3.982 0 40 IHAB CC1(C)CCc2cc(S(=O)(=O)NCc3nc(-c4ccc(Cl)cc4)no3)ccc2O1 223775821 AGZRSJZVTCERES-UHFFFAOYSA-N 433.917 3.972 0 40 IHAB CC(C)COc1ccc(-c2cc(C(=O)NC[C@H](c3ccco3)N3CCOCC3)no2)cc1 223810001 DLOCHQHAZAOPPO-OAQYLSRUSA-N 439.512 3.773 0 40 IHAB Cc1cccc([C@H](NS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)c2ccccc2)c1 225379555 SMXVKXWSBUKQEG-QGZVFWFLSA-N 444.582 3.899 0 40 IHAB O=C(NCCCc1ccc(F)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 225551826 OQRFSVIKUTUACR-KRWDZBQOSA-N 438.952 3.629 0 40 IHAB CCCC(=O)N1CCC[C@@H](c2nc(C)c(CC(=O)NCc3ccc(F)cc3)c(C)n2)C1 257240159 HSHHUPSJKRLDSE-LJQANCHMSA-N 426.536 3.598 0 40 IHAB O=C1CO[C@@]2(CCCN(C(=O)c3cccc4ncccc34)CC2)CN1CCc1ccccc1 257290980 QFCIQIRQLRAZKD-HHHXNRCGSA-N 443.547 3.701 0 40 IHAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(F)c(Cl)c2)cc1Cl 408605668 NFBOLLZGUWLSSV-SNVBAGLBSA-N 435.304 3.837 0 40 IHAB Cc1ccc(COc2ccc(/C=C3/NC(=O)N(C)C3=O)cc2I)cc1 409194782 RBTWNLFWPKQXFB-MHWRWJLKSA-N 448.260 3.701 0 40 IHAB CCN(CC)C(=O)CN1C(=O)S/C(=C\c2c(OC)ccc3ccc(OC)cc23)C1=O 409209024 FACGAZRIBAEBKT-UNOMPAQXSA-N 428.510 3.762 0 40 IHAB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NCc2nc(C3CCC(F)(F)CC3)no2)C1 575615137 BWWXWBMSSWRVNB-CQSZACIVSA-N 428.480 3.626 0 40 IHAB O=C(Nc1cccc(C[S@@](=O)Cc2ccccc2)c1)[C@@]1(O)CCN(Cc2ccccc2)C1 610414824 VYSJAHWMXRZUTF-DICHSLLOSA-N 448.588 3.711 0 40 IHAB CCc1cc(C(=O)N2CCC[C@]3(CCCCc4ccccc4OCCN(C)C3=O)C2)on1 643561541 QXYNSRUFMDSFFQ-RUZDIDTESA-N 439.556 3.723 0 40 IHAB C[C@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CNC4CCN(Cc5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C 2102957 NILKEYZRQOIGIQ-CSXHVWADSA-N 438.612 3.526 0 40 IHAB CCCCCOC(=O)CSc1nnc2n1-c1sc3c(c1-c1ncnn1-2)CCCC3 2408633 MSYFKSBVJGRKIL-UHFFFAOYSA-N 430.559 3.594 0 40 IHAB CCn1c(SCCCC(=O)N2CCOCC2)nc2scc(-c3cccs3)c2c1=O 3450038 JDGYSVIPGKXHAQ-UHFFFAOYSA-N 449.623 3.938 0 40 IHAB COc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2CC(C)C)cc(OC)c1 3493915 ZNGJVFRAQUHDLE-UHFFFAOYSA-N 427.526 3.801 0 40 IHAB CCc1nnc(NS(=O)(=O)c2ccc(NC(=S)Nc3ccc(F)cc3)cc2)s1 8684759 FKYUBIKWLKNKBV-UHFFFAOYSA-N 437.547 3.849 0 40 IHAB CCNC(=S)N(CCc1cccc(C)c1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O 8685754 OFBZUEOKLQTIBY-UHFFFAOYSA-N 439.581 3.793 0 40 IHAB C[C@]1(c2ccccc2Cl)NC(=O)N(Cc2cc3c(cc2Br)OCO3)C1=O 8985757 LQSXHEFCUGRWSA-GOSISDBHSA-N 437.677 3.798 0 40 IHAB CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)c3cc(OC)cc(OC)c3)c12 9341105 GCPJBJURLGKIMZ-UHFFFAOYSA-N 426.469 3.942 0 40 IHAB CC[C@@H](C)n1cc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)c2ccccc21 9464070 MYCGNJGPUGLLFT-VUFYJBQKSA-N 427.526 3.507 0 40 IHAB O=C(/C=C/c1ccc2c(c1)OCO2)OCc1nnc(-c2ccccc2Br)o1 9588320 QEAOPCVLAYMSHH-SOFGYWHQSA-N 429.226 3.984 0 40 IHAB COc1ccccc1-c1nnc(SCC(=O)NC(c2ccccc2)c2ccccc2)n1N 9597090 GXWTWMRIMMGGDU-UHFFFAOYSA-N 445.548 3.665 0 40 IHAB COc1ccc(NC(=O)CSc2nnc(NC(=O)C3CCCCC3)s2)cc1OC 9599859 UGIXYTSOEZFTLB-UHFFFAOYSA-N 436.559 3.805 0 40 IHAB NC(=O)c1c(NC(=O)COC(=O)/C=C/c2ccc(Cl)c(Cl)c2)sc2c1CCC2 9633346 DCCREJYELDESML-FNORWQNLSA-N 439.320 3.838 0 40 IHAB O=C(Cn1c(S(=O)(=O)Cc2ccccc2)nc2ccccc21)N1CCCc2ccccc21 9707436 QBPDJBVGANMTQH-UHFFFAOYSA-N 445.544 3.990 0 40 IHAB CCS(=O)(=O)c1cccc(C(=O)N(CCN(C)C)c2nc3c(C)c(C)ccc3s2)c1 9708003 DDGYVGRGDAFDDR-UHFFFAOYSA-N 445.610 3.915 0 40 IHAB Nn1c(SCC(=O)Nc2ccc(F)c(F)c2)nnc1-c1cc(Cl)ccc1Cl 9715958 NJPNREVPGUHFDA-UHFFFAOYSA-N 430.267 3.975 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)NC[C@@H](c2cccs2)S(=O)(=O)c2ccccc2)c1 9741716 MPVXJSQXDFUZIX-FQEVSTJZSA-N 435.592 3.858 0 40 IHAB CN(Cc1nc2ccccc2s1)C(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1 9765054 DLCQCHRJEVMICC-UHFFFAOYSA-N 440.506 3.826 0 40 IHAB CCOc1ccc(-c2ccc(=O)n(CCNC(=O)c3cccc(C(F)(F)F)c3)n2)cc1 9844300 LKELUXXZCIQPMT-UHFFFAOYSA-N 431.414 3.758 0 40 IHAB O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1nnc(-c2ccco2)o1)OCc1ccccc1 9883831 MDBGMGANYAPJAC-SFHVURJKSA-N 432.436 3.806 0 40 IHAB COC(=O)c1ccccc1NS(=O)(=O)c1cc(Br)ccc1Br 11635197 HBDSHFSSVFJSIA-UHFFFAOYSA-N 449.120 3.799 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccc(-c3ccc4nnc(-c5ccncc5)n4n3)cc2)cc1 11665575 QKUKNZDXZLCONV-UHFFFAOYSA-N 442.504 3.963 0 40 IHAB COc1ccc(OC)c(S(=O)(=O)N2CCn3cccc3[C@@H]2c2ccc(F)c(F)c2)c1 11665604 CHWNLMAJDDXWAN-NRFANRHFSA-N 434.464 3.577 0 40 IHAB O=C(NCCn1ncc2c(N3CCCCCC3)ncnc21)c1cccc(C(F)(F)F)c1 11665959 YNIYXSODDUORTC-UHFFFAOYSA-N 432.450 3.656 0 40 IHAB CCOC(=O)/C=C/c1ccc(NC(=O)CSc2nncn2-c2ccc(OC)cc2)cc1 11957422 GSCKAHUBRLSMIP-AWNIVKPZSA-N 438.509 3.583 0 40 IHAB Cc1cc(C)nc(SCc2nnc(S[C@@H](C)C(=O)Nc3ccccc3C)n2C)n1 12494506 NDWSXELDBDPYNU-HNNXBMFYSA-N 428.587 3.942 0 40 IHAB O=C(COC(=O)c1cccc(I)c1)NC12CC3CC(CC(C3)C1)C2 12500243 NIXPTSQTLDZARF-UHFFFAOYSA-N 439.293 3.533 0 40 IHAB Cc1cccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)c1C 12776617 OOFBCKBTEOBVSW-KRWDZBQOSA-N 438.553 3.846 0 40 IHAB Cc1nc(C(=O)O[C@@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)nn1-c1ccc(F)cc1 12783338 AYNWMEPFJTWFNZ-AWEZNQCLSA-N 438.459 3.738 0 40 IHAB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1cnc2c(cnn2C(C)C)c1 12907364 FAWUMEXEQNYXEC-UHFFFAOYSA-N 444.333 3.794 0 40 IHAB COc1ccc([C@@H](CNC(=O)CCS(=O)(=O)c2ccc(C)cc2)N2CCCCC2)cc1 13128534 PZUQPRXEQNYULR-HSZRJFAPSA-N 444.597 3.511 0 40 IHAB COc1ccc([C@H]2CC(=O)c3cnc4[nH]n(-c5nc6ccccc6o5)c(=O)c4c3C2)cc1 13639645 VOGOOKZBPWZPEW-CQSZACIVSA-N 426.432 3.776 0 40 IHAB COc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc2c(c1)N(C(=O)c1ccco1)CC2 13696603 NHTPINZVJRCCSA-UHFFFAOYSA-N 426.494 3.909 0 40 IHAB COc1ccccc1-c1nc(S(=O)(=O)c2ccc3c(c2)OCCO3)c(N2CCCC2)o1 13736142 PGRNWNPZTVGVKY-UHFFFAOYSA-N 442.493 3.554 0 40 IHAB O=C1[C@@H]2[C@H](c3ccccc3)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1c1ccc(Cl)cc1 13807099 DKWSYHLLRYQTAA-AIFLQVKLSA-N 443.890 3.638 0 40 IHAB COc1ccccc1CNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1 14135418 DAMFWXXFPHTQIZ-UHFFFAOYSA-N 438.549 3.511 0 40 IHAB CCOc1ccc([C@]2(C)NC(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)C2=O)cc1 14237879 KPUQDVCUVSRBFN-QFIPXVFZSA-N 430.888 3.867 0 40 IHAB O=C(Nc1ccc(F)c(F)c1F)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 15002099 BCFJBKJAXHQRQZ-UHFFFAOYSA-N 432.851 3.797 0 40 IHAB CCCOc1ccc(C(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)cc1OCC 16045980 KWYBTOQFOSASMF-UHFFFAOYSA-N 440.496 3.795 0 40 IHAB Cc1cccc(C)c1NC(=O)CN(C)CCS(=O)(=O)c1cc(Cl)ccc1Cl 16624783 OCICRLISQIAORQ-UHFFFAOYSA-N 429.369 3.954 0 40 IHAB COc1ccc(-c2nc(C)c(CCNS(=O)(=O)c3ccc(OC)c(C)c3)s2)cc1 17011313 LCCPBLWRRYBKKF-UHFFFAOYSA-N 432.567 3.965 0 40 IHAB O=C(Cc1csc(-c2cccs2)n1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 17336848 KPNHURSFTKKHOJ-UHFFFAOYSA-N 433.580 3.837 0 40 IHAB O=C(C[C@@H]1C=CCC1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(Cc1cccs1)C2 19343684 KRDIPOAUYWQLDT-DYESRHJHSA-N 438.597 3.800 0 40 IHAB CN(C)c1ncccc1CN[C@H](Cc1cc(O)nc(-c2ccccn2)n1)c1ccccc1 19584160 OYTFJFMYDWWZPW-JOCHJYFZSA-N 426.524 3.779 0 40 IHAB O=C(NCc1ccccc1Cl)[C@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 19860387 SSWBKOIUPRYWIF-KRWDZBQOSA-N 441.380 3.852 0 40 IHAB CC[C@@H](Oc1ccccc1)C(=O)Nc1nn2c(-c3ccc(OC)c(OC)c3)nnc2s1 20486606 ZZSZCSCVWGVSAL-OAHLLOKOSA-N 439.497 3.666 0 40 IHAB CN(Cc1ccc(OC(F)F)cc1)C(=O)CN1c2cccc3cccc(c23)S1(=O)=O 21239041 WWZBVWDBHYJLCA-UHFFFAOYSA-N 432.448 3.609 0 40 IHAB CCc1ccc(Cn2nccc2NC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)cc1 21599917 IPMHVEIMMJVRMG-UHFFFAOYSA-N 431.471 3.740 0 40 IHAB Cc1cc(C)c(N(CC(=O)Nc2ccccc2C(=O)NC(C)(C)C)S(C)(=O)=O)c(C)c1 22399715 JPEOHMBLKOOKCG-UHFFFAOYSA-N 445.585 3.545 0 40 IHAB CCOc1ccc(NC(=O)CN(C)C(=O)NCC2(c3ccccc3)CC2)cc1OCC 22426978 DTRNMHWIYZOZLV-UHFFFAOYSA-N 425.529 3.796 0 40 IHAB COc1ccc([C@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)cc1 22509843 INXOCNKWHDPCEL-UGKGYDQZSA-N 444.597 3.547 0 40 IHAB O=C(Nc1nc(CN2CCOCC2)cs1)c1cc(-c2ccccn2)nc2ccccc12 23312472 QDGUYXWHNCQTAX-UHFFFAOYSA-N 431.521 3.838 0 40 IHAB O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1cc(C2CC2)nn1-c1ccccc1 23561514 DAYHRGXUJFRCAQ-XMMPIXPASA-N 434.515 3.692 0 40 IHAB CCn1c(=O)n(CC(=O)N[C@H](c2ccccc2)c2ccc3nc[nH]c3c2)c2ccccc21 25037114 ZTXBLPIVOOVSMI-XMMPIXPASA-N 425.492 3.605 0 40 IHAB Cc1c(Br)c(C(F)(F)F)nn1[C@H](C)C(=O)Nc1ccc2c(c1)OCCO2 27936239 OQOJBNQXQWGVFG-SECBINFHSA-N 434.212 3.944 0 40 IHAB CCOc1ccc(-c2nc(CC(=O)Nc3nc(C)c(SCC(N)=O)s3)cs2)cc1 31119420 XXVQESZDSJZEEY-UHFFFAOYSA-N 448.595 3.732 0 40 IHAB COc1ccccc1NC(=O)c1sc(=S)n2c1nc(O)c1cc3c(cc12)OCO3 33251516 ZVFDKTJFDVJYFF-UHFFFAOYSA-N 427.463 3.974 0 40 IHAB Cc1cccc(C)c1NC(=O)CSc1nnc(CNC(=O)c2ccccc2Cl)n1C 33752307 SYOZHZFFUDUZBB-UHFFFAOYSA-N 443.960 3.746 0 40 IHAB O=C(COc1ccc(Cl)c2cccnc12)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 36396914 YNFDOYVYGFOZNJ-UHFFFAOYSA-N 445.928 3.690 0 40 IHAB O=C(NCc1cccs1)c1ccccc1OCc1ccc(S(=O)(=O)N2CCCC2)o1 38489257 WEDUSRDOSYLWGU-UHFFFAOYSA-N 446.550 3.635 0 40 IHAB CN(C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1nc2ccccc2s1 40040113 ZUVBDMKPUATCCD-UHFFFAOYSA-N 429.567 3.676 0 40 IHAB O=S(=O)(/C=C/c1ccccc1)N1CCC[C@@H](c2nnc(-c3ccc4c(c3)OCO4)o2)C1 42380082 USAZWGMMUNITGE-NCUBBLFSSA-N 439.493 3.645 0 40 IHAB Cc1ccc(CSCCNC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc1 44791603 WMQHOAZXQIHHHJ-UHFFFAOYSA-N 442.606 3.964 0 40 IHAB Cc1ccc(C)c([C@@H](C)NC(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 44905957 LVVSFIPKAZELRX-FOIQADDNSA-N 436.961 3.751 0 40 IHAB Cc1cc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccccc2F)no1 57426092 XVNHEFIYWIVOMY-UHFFFAOYSA-N 430.486 3.673 0 40 IHAB COc1cc([C@H]2CC(=O)N(c3ccc(F)cc3)c3c2sc(=O)n3C)cc2c1OCO2 66089790 UBIFNTSFWNUHPJ-CQSZACIVSA-N 428.441 3.524 0 40 IHAB COc1ccc(OC)c(NC(=O)Cn2c(=O)cc(-c3nc(C4CC4)no3)c3ccccc32)c1 67317872 HWXREICAULSCOY-UHFFFAOYSA-N 446.463 3.585 0 40 IHAB CC(=O)c1ccccc1NC(=O)CN1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn23)C1 83862100 WNMPMDHCKUVMAW-OAHLLOKOSA-N 445.445 3.769 0 40 IHAB CCOC(=O)c1sc2nc(C)nc(N3CCC(C(=O)NCc4ccco4)CC3)c2c1C 84795590 FWSWRHXCWVRCOP-UHFFFAOYSA-N 442.541 3.611 0 40 IHAB COc1ccc(NC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C)cc1Br 89938187 OGALAIALPYYUBM-GFCCVEGCSA-N 428.327 3.931 0 40 IHAB COc1ccc(C(=O)N2CCC(C(=O)N3CCC[C@H]4COCC[C@H]43)CC2)c2ccccc12 95410790 AWUULEBLJRQDCC-WMZHIEFXSA-N 436.552 3.728 0 40 IHAB Cc1cc(C)nc(NCc2cccc(C(=O)N[C@H](C)c3ccc4c(c3)NC(=O)CO4)c2)n1 95467414 JWXXUQOTCLTMHB-MRXNPFEDSA-N 431.496 3.527 0 40 IHAB O=C(c1cccc(Br)c1)N1CC[C@@H](S(=O)(=O)c2ccc(Cl)cc2)C1 96103489 YDVZYODPOQGKRS-MRXNPFEDSA-N 428.735 3.791 0 40 IHAB COc1ccc2c(c1)CN(C(=O)Nc1ccn(CCN(C)C)n1)[C@H](C1CCCCC1)C2 97164718 YCJBFJWJJHYEOV-QFIPXVFZSA-N 425.577 3.992 0 40 IHAB CCCc1cc(C(=O)NC[C@H]2CC[C@H](c3ccnc4nc(C(F)(F)F)nn43)CC2)no1 100159051 IWKLOXAFXFOTDL-BETUJISGSA-N 436.438 3.787 0 40 IHAB COc1ccc(C(=O)CSc2nnc3c(n2)[C@@]2(C)CC[C@H]3C2(C)C)cc1NC(C)=O 100477031 YJOUEYACQOOZQH-JLCFBVMHSA-N 426.542 3.989 0 40 IHAB CCOc1ccc(N(CC(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)S(=O)(=O)c2ccc(C)cc2)cc1 100625662 LKKKXZITSOMFOR-PWHSHALESA-N 442.581 3.894 0 40 IHAB CC(C)[C@@H](NC(=O)Cc1ccc(F)cc1)c1cc(O)n2nc(C3CCOCC3)cc2n1 100730026 BOGVWSZSWICIMD-HSZRJFAPSA-N 426.492 3.524 0 40 IHAB CC(=O)c1cccc(OC(=O)c2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@H]6C[C@H]56)[C@H]4C3=O)cc2)c1 101222552 QSAUNIFIEJHIJN-RCQJKQRMSA-N 427.456 3.666 0 40 IHAB Cc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)c4ccccc4)N4N=Cc5ccccc5[C@@H]4[C@@H]3C2=O)cc1 103511955 BNCRVEMSACYJEW-YCAMKHIRSA-N 435.483 3.757 0 40 IHAB COc1ccc(OC)c(NC(=O)[C@H](C)N(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c1 220428385 WLDOPOWQQWPTTE-NSHDSACASA-N 447.340 3.804 0 40 IHAB CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(OC)c(OC)c1 222882537 UCEDTYNMXULTDH-KRWDZBQOSA-N 430.520 3.719 0 40 IHAB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(C(=O)O)c1 223066554 LWADIDBDTMBDFF-SFTDATJTSA-N 436.537 3.580 0 40 IHAB CS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)NCCOc2ccccc2)cc1 224059794 DCNAZBWKTNHPNC-UHFFFAOYSA-N 442.512 3.601 0 40 IHAB COc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)c(OC)c1 224074595 RGZQAMLAVVJSFU-UHFFFAOYSA-N 440.521 3.777 0 40 IHAB CCN(c1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1)S(=O)(=O)c1ccccc1 224360702 SCGUPUVHFVCJEH-UHFFFAOYSA-N 438.505 3.561 0 40 IHAB CCc1ccc(CC)c(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c1 225027868 GKIRRLOJLDKUBC-NRFANRHFSA-N 434.989 3.934 0 40 IHAB CCOc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCC3)c2)cc1OCC 225065593 MCOOGWFAGFKOGP-UHFFFAOYSA-N 432.542 3.829 0 40 IHAB CCOc1ccc2c(c1)OC1(CCN(S(=O)(=O)c3ccc(OC)c(C)c3)CC1)CC2=O 225821098 OOOQCHCVBFWRKT-UHFFFAOYSA-N 445.537 3.591 0 40 IHAB CCCC[C@]1(C(=O)OC)N[C@H](c2ccc(C)cc2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 229938595 ULJQRIQFIWZTKL-BILGYAHESA-N 434.536 3.856 0 40 IHAB CCN1CCN(C(=O)CCc2cccnc2)[C@H](Cc2ccccc2-c2ccccc2)C1=O 257201966 AJVZOPBCVFJTSH-RUZDIDTESA-N 427.548 3.983 0 40 IHAB Cc1nccn1CC(=O)N1CCC[C@@H](c2nc(N(C)C)ncc2-c2ccc(Cl)cc2)C1 257258905 KWALWOUTEMJTFI-GOSISDBHSA-N 438.963 3.774 0 40 IHAB Cc1ccc2c(c1)OC(C)(C)[C@H]1CC3(CO[C@H]21)CN(C(=O)c1c2c(nn1C)CCCC2)C3 257263682 LQZXYUPUTZSVBL-WMZHIEFXSA-N 435.568 3.998 0 40 IHAB Cc1ccc(CC(=O)N2CCC(Cc3ccc(-c4ccncc4)cc3)(C(N)=O)CC2)cc1 257298394 RLLHLFUJWPJGEB-UHFFFAOYSA-N 427.548 3.936 0 40 IHAB COc1cccc(N(CCCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)S(C)(=O)=O)c1 260937176 PLQOREMBUQLSPB-GOSISDBHSA-N 444.597 3.998 0 40 IHAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 302769333 YFCYQTJOTOWZMJ-JOCHJYFZSA-N 441.531 3.912 0 40 IHAB O=C(Nc1ccccc1)c1cn2c(nc1=O)[C@@H]1CN(Cc3cc(Cl)ccc3F)C[C@H]1C2 306136563 PXDIWFVVRMOONU-MAUKXSAKSA-N 438.890 3.517 0 40 IHAB CN1CCN(C(=O)CCc2ccccc2)C[C@@H]1c1ncn2cc(-c3cccnc3)ccc12 306141529 VZGGPQVMGHWIAR-XMMPIXPASA-N 425.536 3.844 0 40 IHAB COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc(F)c3)cc2)c1 408602142 HXMACSULQOLBCC-UHFFFAOYSA-N 430.457 3.653 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc3ccccc23)cc1 408660679 BVBBLKPKRMBXEE-UHFFFAOYSA-N 448.475 3.917 0 40 IHAB Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)c(C)c1 409156566 OVXUKVGFWFHIFZ-HNNXBMFYSA-N 445.313 3.601 0 40 IHAB CC(C)CCNC(=O)c1cccc2c1CN(CCC(C)C)CC(=O)NCCCCCO2 643570933 NBHHISYZUGLJPI-UHFFFAOYSA-N 431.621 3.990 0 40 IHAB CC(C)c1ccc2c(c1)NC(=O)CN1CCN(C(=O)c3cccc(Cl)c3)C[C@H]1CO2 1772594700 TUFDCSNUKKDSMI-IBGZPJMESA-N 427.932 3.621 0 40 IHAB CCOC(=O)c1ccc(N2C[C@H](C(=O)O[C@H](C)C(=O)c3ccc(Cl)cc3)CC2=O)cc1 993315 LLEWEBVHCCNZHP-RHSMWYFYSA-N 443.883 3.684 0 40 IHAB COc1ccc(/C=C2/SC(=O)N(CCCC(=O)Nc3ccc(C(=O)O)cc3)C2=O)cc1 1185442 XRHJFZNAPLHHLW-QGOAFFKASA-N 440.477 3.849 0 40 IHAB CCN(CC)C[C@@H](O)CNc1cc(C)nc(NC(=N)Nc2ccc(Cl)c(Cl)c2)n1 1727302 DLWJVDVBUUTTRM-AWEZNQCLSA-N 440.379 3.665 0 40 IHAB COc1ccc([C@@H]2CC(=O)c3cnc(N4CCN(c5ccccc5)CC4)nc3C2)cc1OC 2439028 CXSYGQQUUBZIFZ-IBGZPJMESA-N 444.535 3.733 0 40 IHAB CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccc(OCC(C)C)c(OC)c1 2487048 LIBMKVBLPDGQHB-HXUWFJFHSA-N 432.542 3.943 0 40 IHAB COc1cc(CCC(=O)OCC(=O)Nc2cccc(C(F)(F)F)c2)cc(OC)c1OC 3251454 SBXQEWNSKIPAAS-UHFFFAOYSA-N 441.402 3.846 0 40 IHAB CCOC(=O)Nc1ccc2c(CSc3nc4nc(C)cc(C)n4n3)cc(=O)oc2c1 3449631 XWWWPWVBRHNDRI-UHFFFAOYSA-N 425.470 3.708 0 40 IHAB O=C(CCCC(=O)N(CC(=O)NC1CCCCC1)C1CCCCC1)Nc1ccccn1 4240865 ZGOLKZRTOCRTCG-UHFFFAOYSA-N 428.577 3.801 0 40 IHAB CC1=C[C@H]([C@@H]2CC(=O)N(c3ccc(C)cc3)C2=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]12 8435339 CPQIYYIWZOCUGT-YZZIRNTPSA-N 442.515 3.955 0 40 IHAB O=C(Nc1nnc(S(=O)(=O)N2CCCc3ccccc32)s1)c1cccc(Cl)c1 8588102 KESDYVWVCYNIBC-UHFFFAOYSA-N 434.930 3.585 0 40 IHAB COc1ccc(C(=O)Nc2cccc(Cl)c2N2CCN(C(=O)C(C)C)CC2)c(OC)c1 8904357 SHFMOWBVNRANKZ-UHFFFAOYSA-N 445.947 3.914 0 40 IHAB O=C(COCC(=O)N(c1ccccc1)c1ccccc1)N1CCN(c2ccccc2F)CC1 9355455 QWRVZDNHVZFGQP-UHFFFAOYSA-N 447.510 3.856 0 40 IHAB COc1ccccc1CNC(=O)c1ccccc1CSc1nc2nc(C)cc(C)n2n1 9417542 ZMLCFRPTHFIARD-UHFFFAOYSA-N 433.537 3.972 0 40 IHAB COc1cccc2ccc([C@@H]3C(NC(=O)c4ccc(Cl)cc4)=C(C)N=C4NC=NN43)nc12 9422102 QJVRABKZJRSWJG-OAQYLSRUSA-N 446.898 3.818 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)NCCc2ccc(Cl)cc2)cc1 9514400 YJZAORYZRPBNRE-INIZCTEOSA-N 437.993 3.973 0 40 IHAB COc1ccc(CN(Cc2cccs2)C(=O)c2nn(C)c(=O)c3ccccc23)cc1OC 9579020 DNRRRFFHMOELGT-UHFFFAOYSA-N 449.532 3.855 0 40 IHAB COc1cn(CC(=O)Nc2ccc(C(F)(F)F)cc2)c(CN2CCCCCC2)cc1=O 9622102 SDKDGEXVNDZMRK-UHFFFAOYSA-N 437.462 3.890 0 40 IHAB COc1ccc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3Cc2ccccc2)cc1 9669744 CDJACBAFJBDSID-AREMUKBSSA-N 441.487 3.813 0 40 IHAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)c1nc3nc(C)cc(C)n3n1)CC2 9671583 CWBMQETZGOPYRE-JOCHJYFZSA-N 443.507 3.546 0 40 IHAB CCOC(=O)c1cc(NC(=O)c2ccc(Br)cc2)ccc1N1CCOCC1 9907782 QKMOLMPDYQWCMK-UHFFFAOYSA-N 433.302 3.715 0 40 IHAB COc1cc(/C=C/C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc(OC)c1 9991138 AEPMJLOLXCMIKI-ZZXKWVIFSA-N 437.492 3.610 0 40 IHAB CN(C)S(=O)(=O)c1ccc(CNC(=O)C2c3ccccc3Oc3ccccc32)s1 11225392 NYYAVMAWJADDGG-UHFFFAOYSA-N 428.535 3.552 0 40 IHAB C[C@H](Cc1cccs1)C(=O)N1CCC[C@H]([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)C1 12182002 QMHFJRKTVBBYAK-BFJAYTPKSA-N 427.496 3.745 0 40 IHAB COc1ccc(CCc2nn3c(Cn4c(C)nc5ccccc54)nnc3s2)cc1OC 12323765 MMYJTVPUEKAIQO-UHFFFAOYSA-N 434.525 3.695 0 40 IHAB CC[C@H]1C(=O)N(c2ccc(OC)cc2)C(=O)[C@H]2C(=O)Oc3ccc(Br)cc3[C@H]21 12419112 GJLOQGZEOGPFMP-OLMNPRSZSA-N 444.281 3.676 0 40 IHAB C[C@H](Sc1ccc(Cl)cc1)C(=O)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1 12523219 YCHNGSKOWZDRNU-INIZCTEOSA-N 447.988 3.754 0 40 IHAB O=C(c1sccc1-c1ccccc1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 12916673 ZHXIMJWDXZHVJS-OAQYLSRUSA-N 434.517 3.540 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(Br)cc3)C2)s1 13003140 HGLHBDWJLGKBST-ZDUSSCGKSA-N 443.388 3.858 0 40 IHAB CCN(c1ccc(OCC(=O)N(C)Cc2ccccc2)cc1)S(=O)(=O)c1ccccc1 13584997 IHCAXWWZZATELZ-UHFFFAOYSA-N 438.549 3.939 0 40 IHAB COc1ccc(OC)c2c1cc(C(=O)NCCC(=O)Nc1nc3ccccc3s1)n2C 13723539 UUIRTKFDDKBOPL-UHFFFAOYSA-N 438.509 3.564 0 40 IHAB CC[C@@H](C)N1C(=O)S/C(=C\c2cc(I)c(O)c(OC)c2)C1=O 13881463 RSUFHGZXWVBOEV-HLPMDPMVSA-N 433.267 3.840 0 40 IHAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccc(OC(F)F)c(OC)c2)c1C 13985072 GHDCKOCMQKGCAB-LBPRGKRZSA-N 439.411 3.846 0 40 IHAB COc1cc(CCC2CCN(CC(=O)NCCc3ccc(F)cc3)CC2)cc(OC)c1 14777783 KDZIVKKYRZBIKC-UHFFFAOYSA-N 428.548 3.846 0 40 IHAB CC(C)[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]12 16012574 AUHXIBMFMKPKAK-ORGXJRBJSA-N 444.318 3.574 0 40 IHAB COc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)c(OC)c1 16635617 HPEWBMPTQPFJQD-UHFFFAOYSA-N 430.457 3.896 0 40 IHAB Cc1cc(-c2cnc(N3CCCCC3)nc2C2CCN(C(=O)c3ccccn3)CC2)on1 19123048 CQJQKIRHPRDRHA-UHFFFAOYSA-N 432.528 3.845 0 40 IHAB COc1cccc(Cc2ccc(C3CCN(C(=O)c4cnc(N(C)C)nc4C)CC3)nc2)c1 19690415 YABORAZBXDAJHR-UHFFFAOYSA-N 445.567 3.865 0 40 IHAB COc1cccc(-c2ccc([C@H]3CN(Cc4ccc5c(c4)n(C)c(=O)n5C)CCO3)nc2)c1 19693675 XWNHTGJITWUHFA-RUZDIDTESA-N 444.535 3.521 0 40 IHAB Cc1cc(C)n2c(S[C@@H]3CC(=O)N(c4ccc(Oc5ccccc5)cc4)C3=O)nnc2n1 20799384 DRDJOXNXIHDSIQ-LJQANCHMSA-N 445.504 3.958 0 40 IHAB Cc1nn2c(=O)cc(COc3ccc(NC(=O)c4ccc(Cl)cc4)cc3)nc2s1 20859157 CQOQZHZNPHKLBZ-UHFFFAOYSA-N 426.885 3.944 0 40 IHAB Cc1ccc2nc(C)c(C(=O)Nc3cc(S(=O)(=O)N4CCCC4)ccc3O)cc2c1 22024203 AAIJCASXWXJJBK-UHFFFAOYSA-N 425.510 3.594 0 40 IHAB COc1ccc(C2=NN(C(=O)COC(=O)c3cccnc3Cl)[C@@H](c3ccco3)C2)cc1 22110343 HSKLFVNVXLSVLW-GOSISDBHSA-N 439.855 3.871 0 40 IHAB Cc1ccc(CN(c2ccc(OCC(=O)NCc3ccccc3)cc2)S(C)(=O)=O)cc1 22231517 DSDHGJZGTGWYNO-UHFFFAOYSA-N 438.549 3.656 0 40 IHAB CCOc1cccc(N(CC(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)S(C)(=O)=O)c1 22426534 OEZNXHLTQRPOKO-HXUWFJFHSA-N 446.569 3.578 0 40 IHAB COc1ccc(OC)c(N(CC(=O)N(C)C2CCCCC2)S(=O)(=O)c2ccccc2)c1 22428919 AUNHTJYGQQXJBW-UHFFFAOYSA-N 446.569 3.690 0 40 IHAB Cc1ccccc1-c1ccc(N2CCC(C(=O)NCc3ccc4c(c3)OCO4)CC2)nn1 22493640 SUHKETAFBKXCKS-UHFFFAOYSA-N 430.508 3.714 0 40 IHAB C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 22920920 QJUKQMSXZFNURU-CQSZACIVSA-N 436.339 3.867 0 40 IHAB COc1ccc(OC)c(NC(=O)[C@@H](C)OC(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)c1 24199764 NQHFCASTYNIFBM-VFNWGFHPSA-N 438.480 3.538 0 40 IHAB Cc1ccc(-n2cnnc2SCC(=O)NC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1Cl 24304991 NJCLGMNCDPPQQL-DXCKQFNASA-N 435.981 3.972 0 40 IHAB O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 24748020 XHVJPIRBHQPAMB-UHFFFAOYSA-N 435.505 3.867 0 40 IHAB CCOC(=O)C1CCN(C(=O)[C@H](C)OC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)CC1 24923699 URNUMYTWKNWOBV-HOTGVXAUSA-N 440.540 3.640 0 40 IHAB O=C([C@@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1)N1CCCCCC1 26110415 CKUGMNDJWBMSPE-OAHLLOKOSA-N 433.401 3.938 0 40 IHAB Cc1cccc(Cn2nccc2NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)c1 30526915 QQHUVJOWAJTVAB-UHFFFAOYSA-N 447.564 3.919 0 40 IHAB O=C(NCCCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 32987985 YHHFQEWWBGNFNC-IBGZPJMESA-N 428.916 3.985 0 40 IHAB CN(C)c1ccc(NC(=O)CSc2nnc(NC(=O)c3c(F)cccc3F)s2)cc1 35314375 IHAWPFUQIJAETN-UHFFFAOYSA-N 449.508 3.865 0 40 IHAB COc1cc(NC(=O)CN2CCC(c3nc(-c4cccs4)no3)CC2)cc(OC)c1 49403525 PETPBMVBPCDNHU-UHFFFAOYSA-N 428.514 3.633 0 40 IHAB Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)N(C)C3CCCCC3)c2=O)cc1C 57491159 VHOKTQHMIVXDEO-UHFFFAOYSA-N 425.554 3.622 0 40 IHAB CCN1CCN(C(=O)Cc2ccc(OC)cc2)[C@H](Cc2ccccc2-c2cccnc2)C1=O 72351551 JHAYKWAUKQKXHG-RUZDIDTESA-N 443.547 3.602 0 40 IHAB COc1ccccc1CN1CCCc2c(C)nc([C@H]3CCCN3C(=O)CN3CCCC3)nc21 72372881 AGWDDAXTRGDXQB-JOCHJYFZSA-N 449.599 3.506 0 40 IHAB Cc1nc(CCc2nc3ccccc3[nH]2)cc(N[C@H](CN2CCOCC2)c2ccccc2)n1 72373369 URAFYSMVNNCCPE-XMMPIXPASA-N 442.567 3.932 0 40 IHAB CCn1cc(S(=O)(=O)N2CCC[C@H]2c2cccc(Nc3nc(C)cs3)n2)c(C)n1 72375594 ZTXSREBQXZYJEK-INIZCTEOSA-N 432.575 3.641 0 40 IHAB Nc1ncc(-c2ccccc2F)c([C@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)n1 72376930 OUEIRXAVFWOTSS-LJQANCHMSA-N 430.480 3.920 0 40 IHAB O=C(C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)N1CCCCCCC1 78239546 IYQFMTWNLGFDGY-UHFFFAOYSA-N 432.508 3.899 0 40 IHAB O=C(c1ccc(O)cc1)C1CCN([C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1 78808795 HQZHSTBSJROWHD-FQEVSTJZSA-N 448.441 3.991 0 40 IHAB O=C(CSc1cc(C(=O)NC2CC2)c2ccccc2n1)Nc1nnc(-c2ccco2)o1 78879636 ZBPAUIVVPJYVQM-UHFFFAOYSA-N 435.465 3.501 0 40 IHAB COc1ccc(/C=C2/SC(=O)N(CCNC(=O)/C=C/c3ccc(F)cc3)C2=O)cc1 96551250 YXMOOCQFMBRMDQ-UZHIMRIFSA-N 426.469 3.700 0 40 IHAB COc1ccc(Cl)cc1N([C@@H](C)C(=O)N(C)Cc1ccc(Cl)cc1)S(C)(=O)=O 216381345 GXOFYDQDZMOAGN-ZDUSSCGKSA-N 445.368 3.815 0 40 IHAB CCOc1ccc(N([C@@H](CC)C(=O)N[C@@H](C)CCc2ccccc2)S(C)(=O)=O)cc1 220674802 LGXZLRZIUBGKJU-AVRDEDQJSA-N 432.586 3.767 0 40 IHAB CC[C@@H](C(=O)N[C@@H](C)c1ccc(F)cc1)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 222497273 QYLSFQKAZNBXJY-GUYCJALGSA-N 442.940 3.910 0 40 IHAB COc1ccc(CN(C(=O)COc2ccccc2F)[C@@H](C)C(=O)NC2CCCC2)cc1 224074397 BQQKOZDRXIOQNQ-KRWDZBQOSA-N 428.504 3.689 0 40 IHAB CC[C@@H](NC(=S)Nc1cccc(N(C)S(C)(=O)=O)c1)c1ccc(OC)c(OC)c1 225719440 XWFKEZYKISQWKN-QGZVFWFLSA-N 437.587 3.537 0 40 IHAB Cc1nc(-c2ccc(S(=O)(=O)NC[C@@](O)(c3ccsc3)c3cccs3)cc2)co1 240002247 PPZYIZLGBWNZDS-HXUWFJFHSA-N 446.575 3.987 0 40 IHAB CCOC[C@]1(C(N)=S)[C@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242750532 ZRBWAJFJOXJGTB-GGPKGHCWSA-N 439.986 3.597 0 40 IHAB O=C(c1cccnc1O[C@H]1CCSC1)N1CCN(c2nsc3ccccc23)CC1 252484348 FUQYBKCKNHBFFY-HNNXBMFYSA-N 426.567 3.538 0 40 IHAB Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCC[C@H]4C)nc(O)c32)cc1Cl 253577401 XANOYIZXIARWHH-TZMCWYRMSA-N 429.908 3.587 0 40 IHAB Cc1cc2nccc([C@H]3CC[C@H](CNC(=O)CCc4cc(OC(C)C)no4)CC3)n2n1 257211225 BXZSQOXUAXVWAE-IYARVYRRSA-N 425.533 3.836 0 40 IHAB CN1CCN(c2cc(C(=O)N3CCC[C@H](Cc4cccc5cccnc45)CC3)ccn2)CC1 257251768 JSCVORFIXBVRLV-NRFANRHFSA-N 443.595 3.867 0 40 IHAB O=C(c1sc2ncccc2c1[C@@H]1CCN(C(=O)C2CCCCC2)C1)N1CCOCC1 257313142 UREISDJQQMYHDT-QGZVFWFLSA-N 427.570 3.665 0 40 IHAB COc1ccc(-n2nccc2-c2nc(C(=O)NCCc3ccccc3)c3cnccn23)cc1 306136706 QAURNZSVOAAVPD-UHFFFAOYSA-N 438.491 3.563 0 40 IHAB CSc1cccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2C)c1 408597613 ZOTRUKJOKVLGFI-UHFFFAOYSA-N 434.583 3.909 0 40 IHAB Cc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C(=O)OCC(C)C)cc2)cc1 408661289 FPDGWJLYPOYKST-UHFFFAOYSA-N 440.496 3.708 0 40 IHAB COc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1S(=O)(=O)NC1CCCCC1 408676977 PFOGJZAQZHPFSM-UHFFFAOYSA-N 430.526 3.761 0 40 IHAB COC(=O)c1ccc(Nc2nc(-c3ccc(OC)cc3OC)c(CC(=O)O)s2)cc1 408897470 XFJQOGWRPFLZDK-UHFFFAOYSA-N 428.466 3.985 0 40 IHAB COc1ccccc1/C=[N+]1\NC(=O)[C@@H](NC(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(C)cc1 409060113 SUIIFLVMNUDLKM-WAUWHALJSA-O 448.930 3.673 0 40 IHAB CCCCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 409061792 IDHWXEMCLMQFML-UHFFFAOYSA-N 439.375 3.556 0 40 IHAB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)cc(OC)c1OC 409159336 SXTNJFOQASQOML-WOJGMQOQSA-N 442.493 3.696 0 40 IHAB Cc1ccc2c(c1)C(=O)N(CC(=O)Nc1nc3c(s1)C[C@H](c1ccccc1)CC3)C2=O 520639889 BMDKAFDNLSJAHU-MRXNPFEDSA-N 431.517 3.959 0 40 IHAB Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)Nc1cccc(N2C(=O)CN(C)C2=O)c1)CC3 543703146 FBEDAFBYHJUIIV-MRXNPFEDSA-N 431.496 3.554 0 40 IHAB COc1ncccc1NC(=O)CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12 604404283 AYVAEQUFHDPCOR-QHCPKHFHSA-N 442.475 3.624 0 40 IHAB biogenic Cc1cnc(Nc2cccc([C@@H]3CN(S(=O)(=O)c4ccc(F)cc4C)CCO3)n2)s1 643550332 CLHQGRYWZNMZIM-KRWDZBQOSA-N 448.545 3.800 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)CSc1nnc(COc2ccccc2)n1CC 916734 VMHVYSGYRFOAFE-UHFFFAOYSA-N 440.525 3.785 0 40 IHAB Cc1ccc(-c2cc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)c3ccccc3n2)cc1 2618801 UUYSYWCUZMIJRL-UHFFFAOYSA-N 445.544 3.830 0 40 IHAB COC[C@@H](C)n1c(SCC(=O)N[C@@H]2CCCc3ccccc32)nc2ccccc2c1=O 3396344 FDJNCCGJOWIIRN-OXQOHEQNSA-N 437.565 3.890 0 40 IHAB O=C1c2ccccc2C(=O)N1CCSc1nc(-c2ccccc2Br)n[nH]1 3416546 IJFGKRUVJLWNAF-UHFFFAOYSA-N 429.299 3.623 0 40 IHAB CCOC(=O)c1c(NC(=O)COC(=O)[C@@]2(C)CC2(Cl)Cl)sc(C(C)=O)c1C 3502022 ZOEDHONQCLGKSJ-MRXNPFEDSA-N 436.313 3.501 0 40 IHAB COc1cc([C@H]2c3cc4c(cc3O[C@@](C)(OC)[C@H]2C(C)=O)OCO4)cc(OC)c1OC 5663572 ZQFDPMHEBRRVRC-QNWVGRARSA-N 430.453 3.533 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccnc2)c2ccccc2Cl)cc1 6110843 YWYRSGBHVQRJMR-UHFFFAOYSA-N 429.929 3.555 0 40 IHAB Cc1ccc(-n2c(SCC(=O)c3ccc4c(c3)OCCO4)nnc2N2CCCC2)cc1 8721364 PWNMJZBORQRZQU-UHFFFAOYSA-N 436.537 3.922 0 40 IHAB COc1ccc2nc(N3CCN(S(=O)(=O)c4ccc(Cl)s4)CC3)sc2c1 8967350 RHEMBFYEZBOJFE-UHFFFAOYSA-N 429.976 3.531 0 40 IHAB Cn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1cc(Br)ccc1O 9226026 WNCHQKNSMFVWPX-UHFFFAOYSA-N 437.294 3.820 0 40 IHAB CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=O)N2CC(C)C)cc1 9287999 CRUHWXXAMWQTLU-HXUWFJFHSA-N 437.496 3.685 0 40 IHAB CCn1c(S[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccc2c(c1)OCO2 9290013 AFPLKTBRLMVTSU-GFCCVEGCSA-N 440.481 3.542 0 40 IHAB O=C(CN(CCc1c[nH]c2ccccc12)S(=O)(=O)c1ccccc1)N1CCCCCC1 9315568 JEJUNUJLSXNFDD-UHFFFAOYSA-N 439.581 3.804 0 40 IHAB Cc1ccc(N2C(=O)N(CC(=O)N3N=C(c4ccco4)C[C@@H]3c3ccco3)C(=O)[C@H]2C)cc1 9349525 VIKGNFMVZQJDLN-VQIMIIECSA-N 446.463 3.716 0 40 IHAB Cc1[nH]n(-c2ccccc2)c(=O)c1C(c1ccncc1)c1c(C)[nH]n(-c2ccccc2)c1=O 9353345 MHPQWUVQRWENOZ-UHFFFAOYSA-N 437.503 3.837 0 40 IHAB O=S(=O)(NCCc1csc2nc(-c3ccccc3F)nn12)c1ccc(Cl)cc1 9569575 ZILGOCOHQZUNFK-UHFFFAOYSA-N 436.921 3.771 0 40 IHAB CC(=O)c1ccc(S(=O)(=O)Nc2cccc(-n3c(C)nc4ccccc4c3=O)c2)cc1 9715104 NFQOTXKUCUEAAQ-UHFFFAOYSA-N 433.489 3.698 0 40 IHAB CCN(CC)C(=O)CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(C)cc1 9720600 HZEPDNNJDGVPRA-UHFFFAOYSA-N 426.941 3.847 0 40 IHAB CCOc1ccc(-n2ccnc(SCC(=O)NCc3ccccc3Cl)c2=O)cc1 9761475 NKGDOBSTVDOHII-UHFFFAOYSA-N 429.929 3.693 0 40 IHAB COc1ccc(-c2csc(NC(=O)c3cccc(S(=O)(=O)NC4CC4)c3)n2)cc1F 9802914 BHSDJBWPFJRMPI-UHFFFAOYSA-N 447.513 3.651 0 40 IHAB CCOc1cc2c(cc1NC(=O)COc1ccc(Br)cc1CO)O[C@@H](C)C2 10900597 KONUEMGKZMQRQS-LBPRGKRZSA-N 436.302 3.681 0 40 IHAB C[C@@H](OC(=O)C(C)(C)Oc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 11482017 PANVMDYMMTWKDA-MRXNPFEDSA-N 446.931 3.904 0 40 IHAB COc1cc(-c2nnc(CSc3nc(Cc4cccs4)n[nH]3)o2)cc(OC)c1OC 11601050 NBLPSDMQUZLUDO-UHFFFAOYSA-N 445.526 3.825 0 40 IHAB COC(=O)C1=C(C)N(C2CCCCC2)C(=O)[C@]1(NC(=O)C1CCCCC1)C(F)(F)F 12402668 KHAGNADXVFEGOW-FQEVSTJZSA-N 430.467 3.606 0 40 IHAB Cc1cc(C)cc(-n2ccnc2SCC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c1 12603635 WCMNGEYHLZLTQA-UHFFFAOYSA-N 448.470 3.753 0 40 IHAB COc1ccccc1CN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=O)c1ccco1 12645824 UYRUANFPYDELLK-UHFFFAOYSA-N 446.459 3.744 0 40 IHAB CCCCNS(=O)(=O)c1cccc(NC(=O)c2ccc(OC)c(Br)c2)c1 12820639 VOPTWWOJMHFPPJ-UHFFFAOYSA-N 441.347 3.788 0 40 IHAB Cc1cc(C)c(NC(=O)CN(C)C(=O)CCS(=O)(=O)c2ccc(Cl)cc2)c(C)c1 12975706 MNNSCGGFSRWOLU-UHFFFAOYSA-N 436.961 3.526 0 40 IHAB Cc1ccc(C)c(C(=O)CCC(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)c1 12978004 NBQSMIHEYMBLFP-UHFFFAOYSA-N 435.568 3.666 0 40 IHAB CSc1cccc(NC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)c1 12999530 GBXOQLSOBIOCOS-UHFFFAOYSA-N 436.463 3.720 0 40 IHAB CC[C@H](c1nnnn1Cc1ccc(OC)cc1)N1CCN(c2cc(Cl)ccc2C)CC1 13504878 HNOIRYGOPOOPBG-OAQYLSRUSA-N 440.979 3.965 0 40 IHAB Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2C(=O)NCc2ccco2)o1 14023080 WFKMRCLQKSGRDF-UHFFFAOYSA-N 438.465 3.892 0 40 IHAB C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCN(C)c2nc3ccccc3nc21 14180580 CUFQPPYLUZKPMD-CYBMUJFWSA-N 427.302 3.643 0 40 IHAB COC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 15517259 NWVBUTJQGFPGIF-GOSISDBHSA-N 431.445 3.834 0 40 IHAB CC(=O)c1c(C)[nH]c(C(=O)CN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1C 16565590 WLQSCKCINQZMPG-UHFFFAOYSA-N 442.869 3.906 0 40 IHAB Cc1cc(Sc2nc(NC(C)C)nc(NC(C)C)n2)nc(SC(=S)N(C)C)n1 16850259 HUTJJKOKOZCBBO-UHFFFAOYSA-N 438.652 3.700 0 40 IHAB C[C@H](OC(=O)c1c[nH]c2ccccc12)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 18594872 GZMZVHKPDWAOEE-NSHDSACASA-N 431.370 3.717 0 40 IHAB COc1ccc(OCC(=O)N2CC[C@H](c3cc(-c4ccc(C)cc4)nc(N(C)C)n3)C2)cc1 19212181 OMVRZWABGRCVAC-FQEVSTJZSA-N 446.551 3.922 0 40 IHAB CSCC[C@@H](NC(=O)c1cc2c(C)cccc2[nH]1)c1cc(=O)[nH]c(-c2cccnc2)n1 19236680 PPLRJUJRCHLQPG-GOSISDBHSA-N 433.537 3.846 0 40 IHAB Cc1noc(-c2cnc(N(C)C)nc2-c2ccc(CNC(=O)c3cccnc3)cc2)c1C 19558676 MEKMGQSHGLOJNF-UHFFFAOYSA-N 428.496 3.806 0 40 IHAB Cc1nc([C@]2(O)CCCN(c3ncccn3)CC2)sc1CCOc1ccc(F)cc1 19738668 XKVNHXCGJGRVOG-QFIPXVFZSA-N 428.533 3.880 0 40 IHAB Cc1nc([C@H]2CCCCN2C(=O)c2ccncc2)nc2c1CCCN2CCc1ccccn1 19753038 SWIBTZGJDUXQMH-HSZRJFAPSA-N 442.567 3.938 0 40 IHAB Cc1nc([C@@H]2CCCN(C(=O)CCCn3ccnc3C)C2)ncc1C(=O)Nc1ccccc1 19765255 JCYRMEFEVFYQLR-HXUWFJFHSA-N 446.555 3.729 0 40 IHAB CCn1ccc(C(=O)N2CC[C@H](c3ncc(C(=O)Nc4ccc(Cl)cc4)c(C)n3)C2)n1 19766171 PGOVVBMKVRQVIW-HNNXBMFYSA-N 438.919 3.537 0 40 IHAB COc1ccc(N([C@@H](C)C(=O)N[C@@H](C)c2ccc(C)cc2C)S(C)(=O)=O)cc1Cl 20111318 BIKHMJFXBMWSPS-HOTGVXAUSA-N 438.977 3.997 0 40 IHAB CC(C)NC(=O)[C@@H](C)[C@H]1CC[C@@]2(C)CC[C@H](NC(=O)Cc3ccccc3)[C@@H](C)[C@@H]2[C@H]1O 20466849 BEFZKQDAAQXOFJ-JZNVBFRMSA-N 428.617 3.698 0 40 IHAB biogenic,in-vitro CNc1nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)nc2c1C(=O)CCC2 20478153 LGRYYCUJGKJDEB-UHFFFAOYSA-N 427.552 3.949 0 40 IHAB O=C(COCc1cc(-c2ccc3c(c2)OCO3)on1)Nc1c(F)c(F)c(F)c(F)c1F 20494247 NINNAPGFVJWMRG-UHFFFAOYSA-N 442.296 3.921 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)CN(c2c(C)cc(C)cc2C)S(C)(=O)=O)cc1 22399880 RXGPDRRGTQXXDF-UHFFFAOYSA-N 446.569 3.973 0 40 IHAB c1ccc(CN2CCN([C@@H](c3ccccc3)c3nnnn3Cc3cccs3)CC2)cc1 22929745 NFGWSDLSTPSEMC-QHCPKHFHSA-N 430.581 3.690 0 40 IHAB Cc1ccccc1N(CC(=O)Nc1cccc(NC(=O)c2cccs2)c1)S(C)(=O)=O 24033465 MLMXDBUOGWJRMO-UHFFFAOYSA-N 443.550 3.714 0 40 IHAB O=C(c1ccc2[nH]c3c(c2c1)CCCC3)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 24177629 ZRKNNIRIZJGKFF-UHFFFAOYSA-N 431.536 3.776 0 40 IHAB COc1ccc(NC(=O)c2nnc(CSc3nc4ccc(OC)cc4[nH]3)s2)cc1 24716377 RSHXIZRWACDBKH-UHFFFAOYSA-N 427.511 3.976 0 40 IHAB O=S(=O)(c1ccccc1)N(C[C@H](O)COc1ccccc1)c1nc2ccccc2s1 24829600 KBZVIPDOZFFCDH-KRWDZBQOSA-N 440.546 3.932 0 40 IHAB COc1ccc(OCC(=O)Nc2sc3c(c2C(=O)NCc2ccco2)CCC3)cc1 27663488 LIXRLXRNFBUWGK-UHFFFAOYSA-N 426.494 3.786 0 40 IHAB O=C(c1ccc(Cn2cc(Br)cn2)cc1)N1CCN(c2ccc(F)cc2)CC1 27969940 KGWHLKIFLPLHBC-UHFFFAOYSA-N 443.320 3.795 0 40 IHAB COc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)NC4CC4)cc3c2)cc1OC 28208890 IULDXUDWTSPEEH-UHFFFAOYSA-N 446.550 3.636 0 40 IHAB C[C@@H]1[C@@H](NC(=O)Cc2ccccc2)CC[C@]2(C)CC[C@H]([C@H](C)C(=O)N3CCCC3)[C@H](O)[C@@H]12 30883875 DXVVPAJFBNCBER-QOQAKOHJSA-N 440.628 3.796 0 40 IHAB biogenic,in-vitro COc1ccccc1/C=C1/SC(=O)N(CC(=O)NCCc2c[nH]c3ccccc23)C1=O 33537032 ZOKAZLCRINDLEQ-UDWIEESQSA-N 435.505 3.572 0 40 IHAB O=C(CSc1nnc2c3ccccc3nc(Cc3ccccc3)n12)NCc1ccco1 35314327 WCIPZTNSJROBCC-UHFFFAOYSA-N 429.505 3.870 0 40 IHAB COCCCNC(=O)CSc1nnc(-c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)n1C 36225390 XMUBEBCODJZMNZ-OAHLLOKOSA-N 436.647 3.939 0 40 IHAB COC(=O)C[C@H](NC(=O)NCCOc1cccc(C)c1)c1ccc(OC(F)(F)F)cc1 40151573 RHBKZUBLEBIMAG-SFHVURJKSA-N 440.418 3.876 0 40 IHAB CCOC(=O)[C@H]1CCCCN1S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 48285971 WCOKMAPTKMYUEL-GFCCVEGCSA-N 445.162 3.862 0 40 IHAB COc1ccc(NCC(=O)N(c2ccccc2)C2CCCCC2)cc1S(=O)(=O)N(C)C 57531696 RCASUYZPWROXKM-UHFFFAOYSA-N 445.585 3.723 0 40 IHAB CCOc1ccc(NC(=O)c2cnc(N3CCN(c4cccc(C)c4C)CC3)nc2N)cc1 65154840 OUHBQWRQXFXGOG-UHFFFAOYSA-N 446.555 3.653 0 40 IHAB COc1cccc(-n2c(=O)[nH]c3cc(-c4nc(-c5cccc(C)c5)no4)ccc3c2=O)c1 67341510 MSVNYJWFAMAXSG-UHFFFAOYSA-N 426.432 3.713 0 40 IHAB O=C(CCn1ccnc1)Nc1cccc(C(=O)N(Cc2ccccc2)C[C@H]2CCCO2)c1 71824313 KAKGVDSCROLGRD-HSZRJFAPSA-N 432.524 3.733 0 40 IHAB O=C(O)[C@@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1cccc2ccccc12 71980622 OTACSUZBHYTIQC-QHCPKHFHSA-N 430.504 3.758 0 40 IHAB O=c1c2cc(-c3ccc(Cl)cc3)nn2ccn1Cc1nc(-c2ccc3c(c2)OCO3)no1 72333362 AMWVZEOJFQGCFA-UHFFFAOYSA-N 447.838 3.643 0 40 IHAB Cc1cc(=O)c(C(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)nn1-c1ccccc1C(F)(F)F 84072128 UXYSPZDCFUFBNW-NVXWUHKLSA-N 431.389 3.985 0 40 IHAB O=C(NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)c1[nH]nc(C2CC2)c1Br 84344550 UZYWGJBJTWYSMD-SNVBAGLBSA-N 425.277 3.584 0 40 IHAB CCN1CC[C@]2(CN(CC(C)C)CC23CCN(C(=O)c2cnc4ccccc4c2)CC3)C1=O 96262776 HQFNCQJQRVVUOZ-MHZLTWQESA-N 448.611 3.667 0 40 IHAB CC(C)Oc1cccc(CCCNC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)c1 219965910 RZIQOTILEQSVBH-UHFFFAOYSA-N 444.597 3.762 0 40 IHAB COC(=O)c1cn(C(=O)CCCN(c2cccc(C)c2C)S(C)(=O)=O)c2ccccc12 222637350 BDKLIJQXDGQPRP-UHFFFAOYSA-N 442.537 3.931 0 40 IHAB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1c(C)[nH]c(C)c1I 222771318 BLQYADSGQIHPOM-GJZGRUSLSA-N 426.327 3.624 0 40 IHAB CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(Cl)cc1Cl 222825566 VHGVHXPRWXGJFZ-CYBMUJFWSA-N 425.312 3.544 0 40 IHAB S=C1N[C@H](c2ccccn2)[C@H](c2ccn(C3CCCC3)c2)N1CCCN1CCOCC1 223205619 XKEQTNODISKDMT-PKTZIBPZSA-N 439.629 3.693 0 40 IHAB COc1ccc(N(CC(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)S(C)(=O)=O)cc1 223286200 IMHHYLZUAGNWBC-KRWDZBQOSA-N 448.585 3.779 0 40 IHAB COc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)Nc3cccc(OC)c3)c2)cc1 224279147 UKRCOQQGUTUGKU-UHFFFAOYSA-N 426.494 3.781 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)[C@H]1COc2ccccc2O1 224542070 HTSAIJYEPLJPSP-HXUWFJFHSA-N 444.896 3.919 0 40 IHAB CCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCCOc1ccc(OC)cc1 224580847 SZMBNSPMUJMEMT-HSZRJFAPSA-N 442.556 3.806 0 40 IHAB O=C(c1cc(-c2ccc3c(c2)OCO3)n[nH]1)N1CC[C@H](Oc2cc(C(F)(F)F)ccn2)C1 225732810 LNUAJSWEFHJKCM-AWEZNQCLSA-N 446.385 3.513 0 40 IHAB CN(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O 225816963 CEYYIRMUFJGAAY-UHFFFAOYSA-N 430.904 3.823 0 40 IHAB Fc1ccc(C2(CNC(=S)Nc3nc(Cl)cc(N4CCCC4)n3)CCOCC2)cc1 226002278 TZOATBUODIMUNY-UHFFFAOYSA-N 449.983 3.904 0 40 IHAB CCn1c(=O)oc2cc(NC(=O)CN3CCCC[C@@H]4N[C@H](c5ccccc5)C[C@H]43)ccc21 257215868 CSAGGZVGIVJOEX-JAXLGGSGSA-N 434.540 3.511 0 40 IHAB CN1CCN(C(=O)c2cc3c(nc2O)CCC3)[C@H](Cc2ccc(-c3cccs3)cc2)C1=O 257237127 HFHITRGNCTUXPV-OAQYLSRUSA-N 447.560 3.530 0 40 IHAB O=C(c1ccc(-n2cccn2)nc1)N1CCC[C@]2(C[C@@H](Oc3ccccc3Cl)CO2)C1 257243446 IGZPDIKSLRFEQU-JPYJTQIMSA-N 438.915 3.763 0 40 IHAB Cn1nc(C(F)(F)F)cc1C(=O)NCc1ccc(-c2n[nH]cc2-c2ccncc2)cc1 257339438 ZBSQLZRLSQHCIG-UHFFFAOYSA-N 426.402 3.821 0 40 IHAB Cc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OCC(=O)N1CCCCCC1 408586818 CAHDFEFBWMDHJQ-UHFFFAOYSA-N 428.554 3.528 0 40 IHAB COc1cc(OC)cc(-c2nnc(S/C(=C\c3ccc(OC)cc3OC)C(=O)O)o2)c1 408631765 GGDGUHRWDHXUIY-NVMNQCDNSA-N 444.465 3.989 0 40 IHAB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)c1ccccc1 408658965 VIIXASJPTRSXST-USNOLKROSA-N 436.895 3.611 0 40 IHAB COc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(C(C)C)ccc2OC)C1 408701277 VIYNZHYXEDXWQD-SFHVURJKSA-N 446.569 3.867 0 40 IHAB COc1cccc(NC(=O)COc2ccc(S(=O)(=O)N[C@H](C)c3ccccc3)cc2)c1 409141331 NCTOAJHORQARGN-QGZVFWFLSA-N 440.521 3.752 0 40 IHAB CC(=O)Oc1ccc(C(=O)COC(=O)CCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 409178108 IQJNTFDVBIEQKM-UHFFFAOYSA-N 437.370 3.776 0 40 IHAB COc1c(Br)cc(Br)cc1/C=C(\Sc1n[nH]c(C)n1)C(=O)O 409193311 ISOKQJTWAGLKDI-WMZJFQQLSA-N 449.124 3.865 0 40 IHAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 409207489 VDLXJSSGWZZJST-ZDUSSCGKSA-N 430.448 3.800 0 40 IHAB CC(C)n1cnc([C@H]2CN(C(=O)c3cccc(F)c3)C[C@@]23CCCN(CC2CC2)C3=O)c1 585106563 BIWNEEJZKOZMRZ-BWKNWUBXSA-N 438.547 3.862 0 40 IHAB COc1ccc(C(=O)N2CCN(C(C)=O)C[C@@H]2c2ccccc2)cc1NCc1ccncc1 585261896 MZVCMTYKURWQMM-XMMPIXPASA-N 444.535 3.748 0 40 IHAB Cc1ccc(C(=O)N[C@@H](CC(=O)NC[C@@H](CO)Cc2ccccc2)c2ccccc2)cc1 605544091 FEJRJOYZJSIXMT-DHLKQENFSA-N 430.548 3.824 0 40 IHAB COc1ccc([C@@H](NCc2nc(N)nc(=Nc3ccccc3C)[nH]2)c2ccccc2)cc1 613908193 SHQFDTPWMFLEOG-QHCPKHFHSA-N 426.524 3.816 0 40 IHAB O=C(Cn1ccc2ccccc21)N1CCC(COc2ncc(Br)cn2)CC1 1775969613 CMDGCZYGFUNFQD-UHFFFAOYSA-N 429.318 3.511 0 40 IHAB CCOc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccc4c(c3)OCO4)c3ccccc32)cc1 2337624 DNTFZYHBFPICSG-AREMUKBSSA-N 445.471 3.821 0 40 IHAB CCCc1cc(N2CCC[C@@H](C(=O)Nc3cc(Cl)ccc3OC)C2)n2ncnc2n1 4355323 GMCKKOFNVZFNLH-CQSZACIVSA-N 428.924 3.594 0 40 IHAB CCCCn1c(SCc2nnc(-c3cccs3)o2)nc2cc(S(N)(=O)=O)ccc21 6147798 VGKXSOPFYSRPPJ-UHFFFAOYSA-N 449.583 3.888 0 40 IHAB CCN(CC(=O)Nc1ccccc1OC)CC(=O)N1CC[C@@H](C)Sc2ccccc21 7906399 KLQYEZZSFXVNOO-QGZVFWFLSA-N 427.570 3.873 0 40 IHAB COc1ccccc1N1CCN(c2ccccc2NC(=O)c2ccccc2C(=O)O)CC1 8438937 BPKSSAMIUMVITC-UHFFFAOYSA-N 431.492 3.972 0 40 IHAB CCOC(=O)c1c(NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)sc2c1CCCC2 8601640 BKQXYCGXITZYRY-UHFFFAOYSA-N 441.958 3.869 0 40 IHAB O=C(COc1cccc(Oc2ccccc2)c1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 8735941 QAVHTCCOJTZGAB-IBGZPJMESA-N 429.538 3.816 0 40 IHAB COc1cccc(NC(=O)CSc2nc(CC(=O)NCc3ccccc3)cs2)c1 8850923 JTTDZKGAIHSQIX-UHFFFAOYSA-N 427.551 3.741 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCc1ccc(OC)cc1 9128147 UDCSRWFFZQZOPL-UHFFFAOYSA-N 446.569 3.840 0 40 IHAB CCOc1ccc2[nH]c3c(N4CCN(Cc5ccc6c(c5)OCO6)CC4)ncnc3c2c1 9215669 AUIRLMQKRUXQAX-UHFFFAOYSA-N 431.496 3.561 0 40 IHAB CCc1nnc(NC(=O)CSc2nnc(COc3cc(C)ccc3C)n2CC)s1 9263863 LETLSYSLNUVJPI-UHFFFAOYSA-N 432.575 3.639 0 40 IHAB CCn1c(S[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccc2c(c1)OCO2 9290012 AFPLKTBRLMVTSU-LBPRGKRZSA-N 440.481 3.542 0 40 IHAB CCOC(=O)c1sc2nc(CSc3ccccc3)nc(NCC(=O)NC)c2c1C 9366120 VUMYJYVZFNOCBR-UHFFFAOYSA-N 430.555 3.627 0 40 IHAB COc1ccc(C(=O)Nc2ncc(C)s2)cc1S(=O)(=O)N(C)Cc1ccccc1 9664697 AGOYNZDCUURXNO-UHFFFAOYSA-N 431.539 3.533 0 40 IHAB COc1cc(/C=N/NCc2ccc(Cl)cc2)cc(Br)c1OCC(=O)O 10119067 KNAXLUUSBNNUFI-ZVBGSRNCSA-N 427.682 3.698 0 40 IHAB COc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)CCC(=O)c1ccc2c(c1)OCCO2 11138478 FTTUONCNPSKOEW-ZDUSSCGKSA-N 447.871 3.653 0 40 IHAB CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](c3ccccc3)C3CC3)CC2)cc1 11214922 AFHAYSOQSSSTSM-QHCPKHFHSA-N 440.565 3.557 0 40 IHAB O=C(c1cc(-c2ccccc2)on1)N(Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 11916703 MTKRXDOQPKHGDF-GOSISDBHSA-N 430.913 3.825 0 40 IHAB Cc1cnc(C(=O)N2CCC(c3cc4nc(C(C)C)cc(C(F)(F)F)n4n3)CC2)cn1 12160397 JITUTPCZGBNJKO-UHFFFAOYSA-N 432.450 3.990 0 40 IHAB Cc1cnn(CC(=O)N2CCC(c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C(C)C)N4)CC2)c1 12182646 BXEGNDBFDVYGGX-FUHWJXTLSA-N 438.498 3.738 0 40 IHAB CCOc1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccc(Cl)cc2)cc1 12291651 OXYQSKGJXKRNST-FCEWJHQRSA-N 442.821 3.843 0 40 IHAB O=C(Nc1ccccc1)c1ccc(CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)cc1 12568860 GOYCNTWJKZGHAV-VWLOTQADSA-N 427.460 3.669 0 40 IHAB CN(C1CCCCC1)S(=O)(=O)c1ccc(NS(=O)(=O)c2cc(F)ccc2F)cc1 12605636 GXKRTRKVRJWHTQ-UHFFFAOYSA-N 444.525 3.719 0 40 IHAB COc1ccc(Cl)cc1-c1n[nH]c(S[C@@H](C(=O)N2CCOCC2)c2ccccc2)n1 12803928 NAKRXMCZVQQNNZ-GOSISDBHSA-N 444.944 3.826 0 40 IHAB COc1cc(-c2nnc(SCC(=O)Nc3c(F)cccc3F)o2)cc(OC)c1OC 12859014 PYFLMZRSACYKBN-UHFFFAOYSA-N 437.424 3.771 0 40 IHAB C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)c1ccc(F)cc1 12888709 KOUDIAPPVYNVDW-MRXNPFEDSA-N 430.545 3.593 0 40 IHAB COc1cc(Br)c(CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1OC 12915021 LEOQCZPFMUZHNA-UHFFFAOYSA-N 433.302 3.996 0 40 IHAB Cc1c(C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)oc2c(Cl)cccc12 12992550 YFLCBIMDTWZJNA-UHFFFAOYSA-N 429.879 3.930 0 40 IHAB Cc1cc(Br)ccc1NC(=O)CNC(=O)CN[C@@H](C)c1ccccc1Cl 14199191 DABDGGPPZYGMSO-ZDUSSCGKSA-N 438.753 3.816 0 40 IHAB O=C(CNc1cc(Cl)cc(Cl)c1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 15086879 RFHAPOHQYGFCGS-UHFFFAOYSA-N 428.341 3.829 0 40 IHAB COc1cccc(N2CCN(C(=O)c3cc(-c4ccc(Br)cc4)n[nH]3)CC2)c1 15679389 GQOFPEZEZJWGLU-UHFFFAOYSA-N 441.329 3.810 0 40 IHAB CC(C)n1nccc1NC(=O)[C@@H](C)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 16565867 LGPFMCQNNZSABT-CYBMUJFWSA-N 444.889 3.680 0 40 IHAB Cc1nc2ccc3nc(NC(=O)c4ccc(S(=O)(=O)N(C)C)cc4)sc3c2s1 17144150 CLVINXVLRFFAPP-UHFFFAOYSA-N 432.552 3.717 0 40 IHAB CC(C)NC(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCN(C(=O)c2cnccn2)C1 19449498 UWPKVDLBJGJZPH-AREMUKBSSA-N 428.536 3.743 0 40 IHAB CCN1CCN(C(=O)c2cnc(C)nc2C)C[C@@H](Cc2ccccc2-c2cccs2)C1=O 19527744 LMYJKFQZRCOFQJ-HXUWFJFHSA-N 448.592 3.985 0 40 IHAB COc1ccc(NC(=O)c2cc(C3CCN(C(=O)C4CCCC4)CC3)no2)cc1OC 19561328 KGBWNNKEYCKOIM-UHFFFAOYSA-N 427.501 3.840 0 40 IHAB Cc1cnc2c(C(=O)N3CCO[C@@H](c4ccc(Cc5ccccc5Cl)cn4)C3)cnn2c1 19692228 KCUIXJATAWAILK-JOCHJYFZSA-N 447.926 3.891 0 40 IHAB Cc1cc(S(=O)(=O)N2CC[C@H](c3c(C(=O)N(C)C)sc4ncccc34)C2)ccc1F 19702547 UISHABCVIWWHTQ-AWEZNQCLSA-N 447.557 3.624 0 40 IHAB CNc1cc(CN(C)C(C)=O)nc(C2CCN(C(=O)C3(c4ccccc4)CCCC3)CC2)n1 19709895 XUEKVYNMAADDOU-UHFFFAOYSA-N 449.599 3.715 0 40 IHAB Cc1ncc(C(=O)N2CCOCC2)c([C@H]2CCCCN2Cc2cccc3cccnc23)n1 19767222 ULQNVICYMZSTKI-JOCHJYFZSA-N 431.540 3.533 0 40 IHAB CSc1ccc([C@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 20017777 RYSQWPFABZSIPA-KRWDZBQOSA-N 432.611 3.995 0 40 IHAB Cc1nc(S[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)n(C[C@@H]2CCCO2)c1C 21568798 HUVRAAMBJVQZGS-NQIIRXRSSA-N 444.601 3.635 0 40 IHAB O=C(Nc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2OC(F)(F)F)C1 23434900 FZEPMSFYPOMCOT-CQSZACIVSA-N 428.432 3.625 0 40 IHAB C[C@H]1CN(C(=O)c2ccccc2NC(=O)c2nn(-c3ccccc3)c3c2CCC3)C[C@H](C)O1 27991264 TVIRWQWGUJCZCJ-ROUUACIJSA-N 444.535 3.863 0 40 IHAB COCCN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 36185151 NYTCSLBZKUUIJQ-UHFFFAOYSA-N 430.570 3.540 0 40 IHAB NS(=O)(=O)c1ccc2c(c1)/C(=C/c1cn(-c3ccccc3)nc1-c1ccccc1)C(=O)N2 40114048 RYUMSKGUUPEYPU-BKUYFWCQSA-N 442.500 3.679 0 40 IHAB COc1cccc([C@H]2C(C(=O)Nc3ccccc3Cl)=C(C)Nc3ncnn32)c1OC 40485024 ODGTXBGTMYEAGL-SFHVURJKSA-N 425.876 3.876 0 40 IHAB CCOC(=O)[C@@H]1CCCN(C(=O)Cn2cccc2-c2nc(-c3cccc(Cl)c3)no2)C1 57487289 ASFNLFQPQYOBSC-MRXNPFEDSA-N 442.903 3.660 0 40 IHAB Cc1cccc(NC(=O)Cn2c(=O)n(-c3ccc(Cl)cc3)c(=O)c3sccc32)c1 57491822 LPNRKRNODPUNOZ-UHFFFAOYSA-N 425.897 3.814 0 40 IHAB CCc1ccccc1Nc1nc(N)nc(CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)n1 58138665 OPGVYVHRQUJLAS-LJQANCHMSA-N 432.528 3.868 0 40 IHAB Cc1ccc2c(c1)N(C(=O)Cn1ccc3ccn(Cc4ccccc4F)c3c1=O)CCO2 62007376 DKRVZAIBNZZTTK-UHFFFAOYSA-N 431.467 3.724 0 40 IHAB Cc1ccc(SCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1 64744579 UOCHOKQXQCSCCW-LJQANCHMSA-N 432.611 3.613 0 40 IHAB C[C@@H]1C[C@H](C(N)=O)c2ccccc2N1Cc1nnc(-c2ccccc2Br)o1 65489708 HWXPQEYNQLTXFB-DOMZBBRYSA-N 427.302 3.867 0 40 IHAB CC[C@H](C)n1c(SCC(=O)Nc2ccc(OC)cc2OC)nc2cc(C)[nH]c2c1=O 67238694 PEVZGWMSOUXXGK-ZDUSSCGKSA-N 430.530 3.752 0 40 IHAB COc1cc(C)c2[nH]c3c(c(=O)c2c1)CN(CC(=O)Nc1ccc(OC)c(Cl)c1)CC3 67349884 NPKNZSODLQUXBS-UHFFFAOYSA-N 441.915 3.504 0 40 IHAB O=C(COC(=O)COc1ccc(I)cc1)Nc1ccc(Cl)cc1 72331004 BLRFZQSLIOJXIU-UHFFFAOYSA-N 445.640 3.505 0 40 IHAB COCCN1CC=CC[C@@H](C2CCN(C(=O)c3cc(C4CCCCC4)no3)CC2)C1=O 72371078 UFLPXSKBOSVCPA-FQEVSTJZSA-N 429.561 3.626 0 40 IHAB Cc1nc(Cn2c(C)nc3ccccc3c2=O)cc(NCCCN(C)c2ccccc2)n1 72373331 FUCKJUVVVFZKCN-UHFFFAOYSA-N 428.540 3.790 0 40 IHAB CNc1nc([C@H]2CCCCN2C(=O)C(C)(C)c2ccc(OC)cc2)nc2c1CCN(C)C2 72376584 IRFHAKYOGCYMFE-OAQYLSRUSA-N 437.588 3.546 0 40 IHAB Cc1noc(C)c1S(=O)(=O)N1CCCC[C@H]1c1nc(N)ncc1-c1ccc(Cl)cc1 72377232 GPIYSTGCJFPZBE-KRWDZBQOSA-N 447.948 3.900 0 40 IHAB COc1cc2c3cnn(Cc4c(F)c(F)c(F)c(F)c4F)c(=O)c3n(C)c2cc1OC 79495397 JGSFYHGZWPDAHE-UHFFFAOYSA-N 439.340 3.649 0 40 IHAB COc1cccc2cc(-c3ccc(OCC(=O)NCCc4ccncc4)cc3)c(=O)oc12 79502016 ABFZSDUVMMMBSZ-UHFFFAOYSA-N 430.460 3.601 0 40 IHAB C[C@H](OC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Br)c1cccnc1 89910065 KAZYHXBWMUIHFW-LBPRGKRZSA-N 441.347 3.839 0 40 IHAB COc1cc([C@@H](NC(=O)CN(C)Cc2ccccc2)C(F)(F)F)cc(OC)c1OC 95466238 DHOCOEAGHFKAQV-HXUWFJFHSA-N 426.435 3.564 0 40 IHAB O=C(C[C@@H]1CC2(CCN(C(=O)NCc3ccccc3)CC2)Oc2ccccc21)NC1CC1 96079989 AHBPAIOPZRFUSS-HXUWFJFHSA-N 433.552 3.966 0 40 IHAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c1C 102871705 JOBKIPLYEJEMHH-LNLFQRSKSA-N 446.569 3.507 0 40 IHAB CC[C@@H](NC(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O)c1ccc(C)cc1 113965449 ISDLALFNMDBOHO-HXUWFJFHSA-N 446.569 3.580 0 40 IHAB Cc1ccccc1CSCCNC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 219700525 CDOBAHYVGWUNFL-UHFFFAOYSA-N 442.606 3.818 0 40 IHAB COc1ccc(N([C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)S(C)(=O)=O)cc1OC 220232005 JVQFNGGWYBJQBW-LBPRGKRZSA-N 446.447 3.516 0 40 IHAB CC[C@@H](C(=O)Nc1ccc(F)cc1F)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 220749247 BTWGKRTXXPVXPN-INIZCTEOSA-N 432.876 3.810 0 40 IHAB CCOc1ccccc1CCCNC(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 222573651 POJHPRAAPOFGPF-UHFFFAOYSA-N 446.613 3.997 0 40 IHAB COc1ccc(C(=O)Nc2ccc3sncc3c2)cc1S(=O)(=O)N1CCCCC1 222915951 YKQYTAPVZGPEAC-UHFFFAOYSA-N 431.539 3.732 0 40 IHAB CC(C)OCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1 222930104 JKPOQIGFORPPNV-LJQANCHMSA-N 430.520 3.553 0 40 IHAB CC[C@H](C(=O)Nc1nnc(-c2ccccc2)s1)N(c1ccccc1F)S(C)(=O)=O 223865123 OIPGKKXHVLQWTA-OAHLLOKOSA-N 434.518 3.528 0 40 IHAB CCc1ccc(OCCNC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1 224056735 PYTCLPJTJSRGLK-UHFFFAOYSA-N 432.586 3.508 0 40 IHAB Cc1ccccc1CSCCCNC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 224382146 MPAJKXGYBMTOLW-UHFFFAOYSA-N 432.611 3.978 0 40 IHAB CC[C@H](C(=O)Nc1nnc(-c2ccccc2)s1)N(c1ccc(C)cc1)S(C)(=O)=O 224421870 FNPHKJPJRMMIOA-QGZVFWFLSA-N 430.555 3.697 0 40 IHAB COc1ccc(-c2cnc(CCC(=O)NCCc3ccc(OC)c(OC)c3)o2)c(OC)c1 224865911 LWCMPEOOAOANCE-UHFFFAOYSA-N 440.496 3.668 0 40 IHAB COc1ccc(CCNC(=O)c2ccc(C)cc2I)cc1OC 225012570 WQJDPUICHPLPHT-UHFFFAOYSA-N 425.266 3.589 0 40 IHAB Cc1cc(C)cc(N(CC(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)S(C)(=O)=O)c1 225138683 VQBLWRAJYCBBHP-UHFFFAOYSA-N 447.582 3.665 0 40 IHAB CC[C@H](NC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O)c1ccc(OC)c(C)c1 225195834 DFPUFFBKAAYFIX-IBGZPJMESA-N 438.977 3.686 0 40 IHAB COc1cc(OC)cc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)C)c1 225568749 RKNJOXJZJYHSIY-INIZCTEOSA-N 448.947 3.678 0 40 IHAB CCOc1cc(CNS(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)ccc1OC 225718532 SVAKPKAOJHMOHB-UHFFFAOYSA-N 436.555 3.530 0 40 IHAB Cc1nc(N2CCC(NC(=O)Cc3c(F)cccc3Cl)CC2)cc(C(F)(F)F)n1 225727076 ZMCKGBDZRHYGHZ-UHFFFAOYSA-N 430.833 3.924 0 40 IHAB CC1(C)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2CN(C(=O)c3ccc(F)cc3)CCN21 253401419 MVZWXCDQYUCKIO-FQEVSTJZSA-N 429.923 3.540 0 40 IHAB biogenic,in-vitro Cc1cccc(Nc2cc(C)nc(C3CCN(C(=O)[C@@H](C)CN4CCOCC4)CC3)c2)n1 257292124 QKCRUUDQUWXDCI-SFHVURJKSA-N 437.588 3.511 0 40 IHAB COCCOc1ccc(C(=O)N2CCNC(=O)[C@@H]2Cc2ccc(-c3ccccc3)cc2)cc1 257341114 ZIWHKIHDDLRFBC-VWLOTQADSA-N 444.531 3.562 0 40 IHAB CC1(C)C[C@@H](NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c2ccccc2O1 260899548 MBCXSVGLVCUDJJ-FXAWDEMLSA-N 428.554 3.506 0 40 IHAB C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(C(=O)OCC(=O)Nc4ccc(F)cc4)cc3)C(=O)[C@H]2C1 408664847 PMUHACYOGIYAJY-UAOJZALGSA-N 438.455 3.547 0 40 IHAB Cc1ccc([C@H]2[C@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccc(Cl)cc2)cc1 409052404 DRCOGQVBNAJHDZ-GWLUTCJNSA-O 436.894 3.804 0 40 IHAB Cc1nc(CN2CCC(C(=O)N3CCC[C@H]3c3cccc4c3OCCO4)CC2)cs1 520250594 YZMHDMWYOVWYHB-FQEVSTJZSA-N 427.570 3.798 0 40 IHAB C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(N)=O)C(=O)N2CCCn1ccc2ccc(Cl)cc21 524734407 BYRDUEGDMVHKTE-VNZMSGEBSA-N 437.927 3.911 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC3(CC2)OCC[C@H]3CCOCc2ccccn2)cc1 575402753 GLZGOZQUWVUSJX-HXUWFJFHSA-N 430.570 3.557 0 40 IHAB Cc1nc(-n2cccc2)sc1C(=O)N1CC[C@H](c2ccccc2Cl)S(=O)(=O)CC1 575616990 LXUZTYDUQUJKAT-QGZVFWFLSA-N 449.985 3.898 0 40 IHAB CN(Cc1ccc(F)cc1)[C@H]1[C@H](NC(=O)OC(C)(C)C)C[C@@H](Oc2cccc(F)c2)[C@@H]1O 585261665 USQZXNXMIBOIHM-CZYKHXBRSA-N 448.510 3.871 0 40 IHAB O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)Nc1cc(C2CCCCCC2)[nH]n1 605539856 PDTCTBGGOZIWJT-UHFFFAOYSA-N 430.574 3.860 0 40 IHAB CN1CCCCCCN(C(=O)c2ccncn2)[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643581836 CILLFBGQGNRQEZ-GGAORHGYSA-N 436.556 3.955 0 40 IHAB Cc1cc(C(=O)N2CCNC(=O)[C@@H]2c2ccccc2F)c2ccc(Br)cc2n1 680127565 SHCBMSYJGRVSRU-IBGZPJMESA-N 442.288 3.758 0 40 IHAB COc1ccc2cc(CN(C[C@@H]3CCCO3)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2c1 1327513 JQNGZIVZYRIFPB-FQEVSTJZSA-N 425.460 3.889 0 40 IHAB CCOc1ccc2nc(NC(=O)CSc3nnnn3-c3ccccc3F)sc2c1 1340431 VNVDLDWGVGPIHN-UHFFFAOYSA-N 430.490 3.541 0 40 IHAB CCOc1cc(C2C(C(=O)OC)=CN(Cc3ccc(F)cc3)C=C2C(=O)OC)ccc1O 1459581 FVNKCHQWEQJFKI-UHFFFAOYSA-N 441.455 3.643 0 40 IHAB CCCNC(=O)c1cc2ccc(OC(=O)c3ccc(Br)cc3)cc2oc1=O 1810888 CGZZWLLNAPHEGR-UHFFFAOYSA-N 430.254 3.915 0 40 IHAB Cc1c(C(=O)OC(C)C)sc(NC(=S)NC(=O)c2ccncc2)c1C(=O)OC(C)C 2374462 KSTIBASYKCXKCE-UHFFFAOYSA-N 449.554 3.709 0 40 IHAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4ccc(F)cc4)o3)cc2)C1 2723445 NJKFBDFKVDHPOO-CQSZACIVSA-N 444.488 3.549 0 40 IHAB Cc1cccc(-n2nc3c(c2NC(=O)c2c(F)cccc2Cl)CS(=O)(=O)C3)c1C 3009548 SBPVPWJQGBHMOM-UHFFFAOYSA-N 433.892 3.962 0 40 IHAB O=C(Nc1nc(-c2ccccc2)cs1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 3186407 KTEFAYCEBCKRTL-LJQANCHMSA-N 427.551 3.992 0 40 IHAB aggregator O=C1COc2ccc(C(=O)CSc3nnc(-c4ccco4)n3Cc3ccccc3)cc2N1 3587238 LMIBDLJRISYVTO-UHFFFAOYSA-N 446.488 3.892 0 40 IHAB COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCCSc2ccccc2)c(OC)c1 4017098 LZTSGXQCEUKPEY-HXUWFJFHSA-N 428.510 3.667 0 40 IHAB C[C@H](Sc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)C(=O)NCC1CCCCC1 6066933 UMQFHVQSFLZEAG-FUHWJXTLSA-N 429.586 3.753 0 40 IHAB CCOc1ccccc1NC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1CCOC 6631527 BKCASMKNOUDUIF-UHFFFAOYSA-N 447.582 3.851 0 40 IHAB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccco3)C2=O)ccc1Cl 8400790 YONXZRFCQHOXDK-OQLLNIDSSA-N 434.857 3.785 0 40 IHAB CN(Cc1nc2ccccc2s1)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 8774281 XABQWTMQBWAVDW-QGZVFWFLSA-N 449.985 3.761 0 40 IHAB CS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(NCc2ccccc2)s1 8912372 JAYHXWBIVWTJCG-UHFFFAOYSA-N 442.971 3.645 0 40 IHAB O=C(COc1ccc(-n2cnnn2)cc1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 8966081 BNOFSBGRIITTEN-HXUWFJFHSA-N 448.870 3.665 0 40 IHAB CC(C)[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)NCc1ccccc1Cl 9130362 OFHGDFQRYQWLDI-IBGZPJMESA-N 425.920 3.560 0 40 IHAB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NCCNC(=O)c1cnccn1 9227284 BPNHRQDTUWKZRQ-ZZXKWVIFSA-N 431.279 3.603 0 40 IHAB CCN1C[C@@H](CN(C)C(=O)Cn2c(-c3cscn3)nc3ccccc32)Oc2ccccc21 9467063 BXKFFZPKUUSFQZ-QGZVFWFLSA-N 447.564 3.906 0 40 IHAB Cc1nc(CSc2nnc(-c3cccc(S(=O)(=O)N4CCCCC4)c3)o2)cs1 9507492 IORKNEBPKGWTJI-UHFFFAOYSA-N 436.584 3.968 0 40 IHAB O=C(CSc1nnc(NC(=O)C2CCCCC2)s1)Nc1ccc2c(c1)OCCO2 9599861 SOYPXQMPSIIUDT-UHFFFAOYSA-N 434.543 3.559 0 40 IHAB CCn1c(SCC(=O)Nc2ccc(C(C)(C)C)cc2)nc2cc(S(N)(=O)=O)ccc21 9644168 ZUWINWGNGXAXCJ-UHFFFAOYSA-N 446.598 3.732 0 40 IHAB COc1ccc(C)cc1-n1c(SCC(=O)NC[C@@H]2CCCO2)nnc1-c1cccs1 9793037 XZMDGPWHECILGJ-HNNXBMFYSA-N 444.582 3.700 0 40 IHAB O=C1CCc2cc(S(=O)(=O)Nc3ccccc3C(=O)Nc3ccc(F)cc3)ccc2N1 9794140 XLXHOEVOCYPACT-UHFFFAOYSA-N 439.468 3.764 0 40 IHAB Cc1cc(C)n(-c2nc3c(c(=O)n2CC(=O)Nc2ccc(C(F)(F)F)cc2)CCCC3)n1 9828808 NROQRSAWLQJMLO-UHFFFAOYSA-N 445.445 3.582 0 40 IHAB Cc1cc(CSc2ncccc2C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)no1 9996224 WTPBQMUTDHSGIN-UHFFFAOYSA-N 449.536 3.791 0 40 IHAB O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)N1CCS[C@H]1c1ccccc1F 10026972 ANOOTMFEWOOYAG-IBGZPJMESA-N 445.497 3.971 0 40 IHAB COC(=O)c1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1CCC(C)C 11209172 COTMZHMNUSVMOT-UHFFFAOYSA-N 439.537 3.960 0 40 IHAB Cc1ccc(CN2C(=O)NC3(CCN(C(=O)c4cccc(C(F)(F)F)c4)CC3)C2=O)cc1 11694068 NGGIKRSXGICPQA-UHFFFAOYSA-N 445.441 3.741 0 40 IHAB Cc1cc(=O)n2c(-c3cccc(NC(=O)[C@@H](C)Oc4ccc5c(c4)OCO5)c3)csc2n1 11769707 SALDIKRHPZVHST-CQSZACIVSA-N 449.488 3.866 0 40 IHAB CCCOc1cccc(C(=O)NC(=S)Nc2ccccc2C(=O)NC[C@H]2CCCO2)c1 12138183 PUQQGLAPZFANRU-GOSISDBHSA-N 441.553 3.511 0 40 IHAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN(C(=O)Cn4nc(C)cc4C)C3)cc2N1 12183562 PTOWHMPXRJYFHI-LZLYRXPVSA-N 438.498 3.800 0 40 IHAB CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCCN3C(=O)c3ccc(=O)n(C)c3)cc2n1 12230443 SOLUKZDLSSUYBA-MRXNPFEDSA-N 433.434 3.548 0 40 IHAB COc1cccc2cc(-c3ccc(OCC(=O)NCCc4ccc(O)cc4)cc3)c(=O)oc12 12296877 FELRFQSPJXFGGX-UHFFFAOYSA-N 445.471 3.912 0 40 IHAB biogenic COc1ccc(-c2nc(O)cc(C3CCN(Cc4cc(OC)c5c(c4)OCO5)CC3)n2)cc1 12328982 LNGLZZWPBDBZIB-UHFFFAOYSA-N 449.507 3.975 0 40 IHAB Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1CN1CCCN(C(=O)c2ccco2)CC1 12473186 ZGJCOGNHDNFRLI-UHFFFAOYSA-N 443.887 3.973 0 40 IHAB O=C(CN1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21)Nc1ccc(F)c(Cl)c1 12555017 WTGPZWYKSRWDKG-FQEVSTJZSA-N 431.895 3.698 0 40 IHAB Cc1ccc(-c2csc3ncn(CC(=O)c4ccc5c(c4)NC(=O)CO5)c(=O)c23)s1 12582590 IZTACCLDUHIVED-UHFFFAOYSA-N 437.502 3.709 0 40 IHAB COc1ccc(C(=O)N/C(=C\c2ccc3c(c2)OCO3)C(=O)NCCc2ccccc2)cc1 12655409 WWJQXIAEFILIDF-JCMHNJIXSA-N 444.487 3.554 0 40 IHAB Cc1nnc(SCC(=O)NC2CCN(Cc3ccccc3)CC2)n1Cc1ccccc1 12687780 RZPWEPMTILRSES-UHFFFAOYSA-N 435.597 3.508 0 40 IHAB CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)cc1 12771166 KMFIDNBKFQMEHC-UHFFFAOYSA-N 441.534 3.785 0 40 IHAB CCC1=C(C(=O)OC)[C@H](c2ccccc2F)NC(=S)N1c1ccc2c(c1)OCCO2 12823125 XCRPMOHMFISXHK-FQEVSTJZSA-N 428.485 3.870 0 40 IHAB COC(=O)C[C@H](NS(=O)(=O)c1ccc(Br)cc1Cl)c1cccs1 13022121 HWUWAQWMZUVFEA-NSHDSACASA-N 438.752 3.747 0 40 IHAB C/C=C/C(=O)N1CCC[C@@H](c2nc(O)c3nnn(Cc4c(Cl)cccc4Cl)c3n2)C1 13083604 UWZQRPQECFXMEE-ROLFPQFPSA-N 447.326 3.564 0 40 IHAB COc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccc(F)cc4)[nH]c(=O)c32)cc1OC 13567377 HHICYUFOYVCZIG-HNNXBMFYSA-N 441.484 3.693 0 40 IHAB CCc1nn2c(C)c(C(=O)N3CCN(c4ccccc4)CC3)nnc2c1-c1ccc(F)cc1 13610817 VZWZINIEZHHIGX-UHFFFAOYSA-N 444.514 3.764 0 40 IHAB CC[C@H]1CCCCN1CCCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 13672460 SFPIKZCEUCWMKD-NRFANRHFSA-N 429.586 3.872 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CC(=O)Nc4ccccc43)cc2C)cc1 13681418 NRERAZRUJWOOOO-UHFFFAOYSA-N 435.505 3.703 0 40 IHAB COc1ccc2cc(/C=C3\C(=O)NC(=S)N3C(C)=O)c(Sc3ccccc3)nc2c1 15303881 FWURTHCQVDZHHF-YBFXNURJSA-N 435.530 3.999 0 40 IHAB Cc1ccc(NC(=O)CSc2nnc3nc(O)c(Cc4ccccc4)nn23)cc1Cl 15882056 WJHLEKHEIQSBBI-UHFFFAOYSA-N 440.916 3.508 0 40 IHAB CCOC(=O)N1CCN(Cn2nc(-c3cccc(F)c3)n(-c3ccccc3)c2=S)CC1 16682951 SAUVJTKZVIITHS-UHFFFAOYSA-N 441.532 3.941 0 40 IHAB Cn1ccnc1-c1nn(CCNC(=O)[C@@H]2OCCc3ccccc32)cc1-c1ccc(F)cc1 19291545 QDHYCJIILHGMTR-HSZRJFAPSA-N 445.498 3.520 0 40 IHAB NC(=O)[C@]1(Cc2ccc(-c3ccccc3F)cc2)CCCN(C(=O)Cc2cccnc2)C1 19368369 PAHYINRUJGYXEA-SANMLTNESA-N 431.511 3.767 0 40 IHAB COc1ccc2[nH]cc(C(=O)CN3CCC[C@](Cn4cnc5ccccc54)(OC)C3)c2c1 19563147 JCELDNXVIGHMFG-VWLOTQADSA-N 432.524 3.890 0 40 IHAB Cc1c(C(=O)N2CCC[C@H](c3nc(N(C)C)ncc3-c3cccc(Cl)c3)C2)cnn1C 19694102 VJSSIBBMUDBZIU-KRWDZBQOSA-N 438.963 3.925 0 40 IHAB Cc1nc([C@]2(O)CCCN(C(=O)CN3CCCCC3)CC2)sc1COc1ccccc1 19705285 TZFAHWSOVZAIRA-DEOSSOPVSA-N 443.613 3.717 0 40 IHAB Cc1cc(C)c2nc(NC(=O)c3ccc([C@@H]4CCCN(S(C)(=O)=O)C4)nc3)sc2c1 19706066 FVMHNJDSXDOYGW-MRXNPFEDSA-N 444.582 3.699 0 40 IHAB Cc1nc([C@@H]2CCCN(Cc3cccnc3)C2)nc2c1CCCN2CCc1ccccn1 19752954 LLMIFFITUQJPMR-JOCHJYFZSA-N 428.584 3.950 0 40 IHAB CCN(CC)C(=O)c1cnc([C@H]2CCCCN2C(=O)c2[nH]nc3c2CCCCC3)nc1C 19765532 WFCKXCOQASDBPH-HXUWFJFHSA-N 438.576 3.626 0 40 IHAB O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)NCc1ccc(-n2ccnc2)cc1 20105110 YTIQUBFXROPCEU-UHFFFAOYSA-N 446.532 3.631 0 40 IHAB COCCNC(=O)c1ccccc1NC(=O)c1ccc(CN2CCc3ccccc32)cc1 20112346 ARNNEFXWLIULFY-UHFFFAOYSA-N 429.520 3.878 0 40 IHAB Cc1cc(OCCN2CCOCC2)c(C)c2c1CC[C@@H]([C@H](C)C(=O)N1CCCCC1)C2 20504639 HCDKCRWXMKIBIY-RBBKRZOGSA-N 428.617 3.768 0 40 IHAB biogenic,in-vitro CC(C)N(C(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1)C(C)C 21602780 OLUPWJCLMVSQCH-GOSISDBHSA-N 446.569 3.702 0 40 IHAB Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccc(S(=O)(=O)N(C)C(C)C)cc1 22476236 IMDXXSPYYIQLRO-UHFFFAOYSA-N 433.555 3.922 0 40 IHAB O=C(NC[C@H](c1ccsc1)N1CCc2ccccc2C1)C(=O)Nc1ccc(F)c(F)c1 22766792 NBYVPMTWLBDCGA-OAQYLSRUSA-N 441.503 3.881 0 40 IHAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2occc2CS(=O)(=O)c2ccccc2)c1 23030458 ZLCRDSGGEHTLPZ-UHFFFAOYSA-N 440.521 3.581 0 40 IHAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCCSCc3ccccc3)CC2)cc1 24609215 JECFTEPOTMIDPZ-UHFFFAOYSA-N 446.638 3.586 0 40 IHAB C[C@H](C(=O)Nc1ccc(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)cc1)n1cncn1 25294072 PXJXYGRHXLVLCT-QGZVFWFLSA-N 439.475 3.961 0 40 IHAB O=C(CCSc1ccc(Cl)cc1)N1CCC(NS(=O)(=O)c2cccs2)CC1 26107649 PMOHHNPIWMJXPY-UHFFFAOYSA-N 445.031 3.853 0 40 IHAB COc1ccccc1N(CC(=O)N[C@H](c1ccccc1)c1ccc(C)cc1)S(C)(=O)=O 30862268 FAFGBDVHJSNUSM-XMMPIXPASA-N 438.549 3.675 0 40 IHAB CON(C)S(=O)(=O)c1ccc(NC(=O)c2cc3cccc(Br)c3o2)cc1 31706351 ONBWZXHFJBYAHW-UHFFFAOYSA-N 439.287 3.630 0 40 IHAB CCN(CC)C(=O)COc1ccc(NS(=O)(=O)c2ccc(F)cc2F)cc1Cl 31721157 XOPASZZTFJWZPS-UHFFFAOYSA-N 432.876 3.666 0 40 IHAB CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C1CCN(c2nc3ccccc3o2)CC1 32879771 FSAAPXPEECJGMX-UHFFFAOYSA-N 445.523 3.718 0 40 IHAB C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)OCc2cn3ccccc3n2)c1 32896028 RIEQFXZYUPQCCH-KRWDZBQOSA-N 447.516 3.831 0 40 IHAB Cc1cc(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(F)cc3)C2=O)ccc1Br 32935231 JSLHHERFMZACHK-INIZCTEOSA-N 434.265 3.740 0 40 IHAB CC[C@](C)(C(=O)Nc1cc(OC)cc(OC)c1)N(C[C@H]1CCCN2CCCC[C@@H]12)C(C)=O 33435687 POZFQCFCTQXDEA-HFRGRHLUSA-N 445.604 3.924 0 40 IHAB Cc1cc(C(=O)COC(=O)c2cc3c(s2)CCCCC3)c(C)n1[C@H]1CCS(=O)(=O)C1 36235080 DGZNEEXFDZFMIO-KRWDZBQOSA-N 449.594 3.835 0 40 IHAB CS(=O)(=O)N1CC[C@H](C(=O)Nc2ccccc2C(F)(F)F)Oc2ccc(Cl)cc21 38849832 RSUXRGICLCVMLF-MRXNPFEDSA-N 448.850 3.915 0 40 IHAB COCc1nn2c(ncc3c(=O)n([C@@H](C(=O)O)C(C)C)ccc32)c1-c1ccc(Cl)cc1 40397827 VXJXICCWIRSCEJ-LJQANCHMSA-N 440.887 3.793 0 40 IHAB COc1cccc(N(CC(=O)N[C@H](c2ccccc2)c2ccccc2C)S(C)(=O)=O)c1 44845281 YAPLRSCXJYGZHE-XMMPIXPASA-N 438.549 3.675 0 40 IHAB CCOc1ccccc1N1CCN([C@@H](C)C(=O)Nc2ccc(Br)cc2)CC1 58159069 MGHMCQSQFHRBKH-INIZCTEOSA-N 432.362 3.997 0 40 IHAB C[C@H](NC(=O)N1CCN(c2ccc(Cl)cc2)CC1)C(=O)Nc1ccc2[nH]ccc2c1 61719894 KMBQODFIMPJYIV-HNNXBMFYSA-N 425.920 3.680 0 40 IHAB CN(C)[C@H](CNC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1cccc(F)c1 69366567 DJSOGJVFSWXGMX-DNVCBOLYSA-N 437.437 3.617 0 40 IHAB C[C@H]1CC[C@@H]2N(C1)C[C@@H]1[C@H](CC[C@@H]3[C@H]1C[C@H]1[C@@H]3CC(=O)[C@H]3C[C@@H](O)CC[C@@]31C)[C@]2(C)O 70707842 IQDIERHFZVCNRZ-RLQZJVIQSA-N 429.645 3.886 0 40 IHAB COc1ccc(NC(=O)N(C)C[C@@H](c2cccs2)N2CCOCC2)cc1OC(F)F 89340161 WEZSGJFPUATIMA-HNNXBMFYSA-N 441.500 3.895 0 40 IHAB O=C(COC(=O)c1cn(Cc2ccccc2)c2ccccc2c1=O)Nc1cccc(F)c1 95466469 CWKCBAQGIKGILJ-UHFFFAOYSA-N 430.435 3.984 0 40 IHAB COc1ccc(C(=O)c2c(NC(=O)CSc3cccc(OC)c3)nc3n2CCC3)cc1 95943469 FUADRGGIERYWAK-UHFFFAOYSA-N 437.521 3.808 0 40 IHAB COCCN(CCOC)C(=O)c1cc2c(c3ccccc3n2CC2CC2)n1-c1ncccn1 96037450 DAGABXGVFMICGD-UHFFFAOYSA-N 447.539 3.520 0 40 IHAB O=C(C[C@H]1CC2(CCN(C(=O)Nc3ccccc3)CC2)c2ccccc21)N1CCOCC1 96242177 QLZURMPWAMZVAH-FQEVSTJZSA-N 433.552 3.989 0 40 IHAB Cc1ccc(C)c(C(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)c1 101154384 QEORKYWQHKDERW-ZRGHVXQMSA-N 429.472 3.655 0 40 IHAB CN1c2ccccc2C(c2ccccc2)=C(C(=O)NCCSC(C)(C)C)S1(=O)=O 219179194 ZTOVKJNCOUUTOD-UHFFFAOYSA-N 430.595 3.874 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCCCc1ccc(F)cc1)c1cccc(Cl)c1 219631791 JOLLWBXTHAWAAP-UHFFFAOYSA-N 426.941 3.774 0 40 IHAB CCOc1ccc(CNC(=O)[C@H](C)N(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1 220257221 HCFJXRXMWKEFDR-ZDUSSCGKSA-N 445.368 3.863 0 40 IHAB COc1ccc(C)cc1N([C@@H](C)C(=O)Nc1ccc(Br)cc1)S(C)(=O)=O 220327231 YAUPCGPJUDGLLA-ZDUSSCGKSA-N 441.347 3.559 0 40 IHAB CCOc1ccc(N([C@H](CC)C(=O)NCc2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1 220678843 AOPZPXCMWMBBLL-JOCHJYFZSA-N 448.585 3.734 0 40 IHAB COc1ccc(NC(=O)CCCN(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1Cl 222677551 HKYREACLIYHFLZ-UHFFFAOYSA-N 432.876 3.812 0 40 IHAB C[C@@H](NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O)c1ccc2c(c1)CCC2 223169237 RXDQMOYSAUSRGI-CQSZACIVSA-N 440.487 3.838 0 40 IHAB COC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c1C 224106991 CWSGCEZCZPAFSS-UHFFFAOYSA-N 438.505 3.859 0 40 IHAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)C1 224111280 NJDWTRFQGWVDBM-BGYRXZFFSA-N 443.613 3.610 0 40 IHAB O=C1CC2(CCN(S(=O)(=O)c3ccccc3)CC2)Oc2c1cccc2C(F)(F)F 225827696 RASZPLFVMSIHGD-UHFFFAOYSA-N 425.428 3.894 0 40 IHAB CCOc1cccc(OCC(=O)N2CCO[C@H](c3ccc(Nc4ncccc4C)cn3)C2)c1 257203083 AOPIJMGEHBQNQI-QHCPKHFHSA-N 448.523 3.906 0 40 IHAB Cc1cc(Nc2cccc([C@H]3CN(C(=O)CCN4CCCc5ccccc54)CCO3)n2)no1 257326903 WZBQQKMTTGIBTF-JOCHJYFZSA-N 447.539 3.864 0 40 IHAB CCCOc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(F)c(Cl)c3)CC2=O)cc1 409169565 QWKKXFJXUWSWGN-AWEZNQCLSA-N 448.878 3.803 0 40 IHAB CC(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(Br)cc2F)cc1 409222326 WRRLJRLLTBNVBI-UHFFFAOYSA-N 443.338 3.846 0 40 IHAB Cc1cc(C)n([C@H](CNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c2cccs2)n1 575609623 DOYALJXEGAHUBY-MRXNPFEDSA-N 436.459 3.925 0 40 IHAB Cc1ccn(CCOc2ccc(CN3CCC(O)(COc4ccccc4F)CC3)cc2)n1 585274158 SUDLYYRHMZZMND-UHFFFAOYSA-N 439.531 3.816 0 40 IHAB COc1ccc2cc(CN(C)C(=O)Cn3nc(-c4ccccc4F)ccc3=O)ccc2c1 589281641 VYQDEFUSZJYYST-UHFFFAOYSA-N 431.467 3.870 0 40 IHAB c1ccc(-c2nnn(Cc3nnc(C4CCN(c5nc6ccccc6s5)CC4)o3)n2)cc1 1118133894 UZGNNKGMIWXMPJ-UHFFFAOYSA-N 444.524 3.765 0 40 IHAB COc1cccc(-n2c(SCC(=O)NCCc3ccccc3)nnc2-c2cccnc2)c1 1362355 DFZGRKKGEIXTHR-UHFFFAOYSA-N 445.548 3.789 0 40 IHAB CCOC(=O)N1CCc2c(sc3nc(SCC(C)=O)nc(SCC(C)=O)c23)C1 2180939 HWWDZGBMPAWJIG-UHFFFAOYSA-N 439.584 3.568 0 40 IHAB COc1ccccc1N(C[C@H](O)COc1ccccc1C)S(=O)(=O)c1ccccc1 2694494 AQYFPPJCZUFPEF-IBGZPJMESA-N 427.522 3.639 0 40 IHAB Cc1ccc(OCc2ccc(-c3nnc(S)n3CCCN3CCOCC3)o2)c(C)c1 2793395 QGXVGBRKTDJJDP-UHFFFAOYSA-N 428.558 3.745 0 40 IHAB O=c1c2c3c(sc2ncn1Cc1nc2c4c5c(sc4ncn2n1)CCCC5)CCCC3 2797103 JPGMGWMIMHYEKQ-UHFFFAOYSA-N 448.577 3.916 0 40 IHAB CCCCCn1c(=O)[nH]c2cc(C(=O)N3CCN(c4cccc(C)c4)[C@@H](C)C3)ccc2c1=O 4766395 YNFBTBFMSUYAFM-IBGZPJMESA-N 448.567 3.539 0 40 IHAB CC[C@H]1CN(C(=O)Nc2cccc(C(F)(F)F)c2)CC[C@H]1CC(=O)N1CCOCC1 5415257 OXHRNKCICTUJLT-HOTGVXAUSA-N 427.467 3.834 0 40 IHAB biogenic,in-vitro Cc1ccc2cc([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CCC(C)CC3)c(=O)[nH]c2c1 6409906 BBHSVBQULDBONY-QHCPKHFHSA-N 446.530 3.832 0 40 IHAB NC(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(F)c2)cc1 8810103 XLZRRRJAUHRMGG-UHFFFAOYSA-N 447.875 3.631 0 40 IHAB C[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccccc3O)n[nH]2)cc1 8845188 DBVWYIABAPUILM-HNNXBMFYSA-N 440.525 3.598 0 40 IHAB O=C(CSc1nc(O)c2cnn(-c3ccccc3)c2n1)Nc1ccc(OC(F)F)cc1 9051169 QJLVSFZPDHIJSS-UHFFFAOYSA-N 443.435 3.853 0 40 IHAB CCN(CC)S(=O)(=O)c1cccc(C(=O)OCC(=O)c2cc(C)n(C3CC3)c2C)c1 9127762 AVVDFKQIPQRJAN-UHFFFAOYSA-N 432.542 3.510 0 40 IHAB COc1ccccc1N(CC(=O)Nc1ccccc1Oc1ccccc1)S(C)(=O)=O 9227498 LVNISHIMNHQXCN-UHFFFAOYSA-N 426.494 3.892 0 40 IHAB O=C1S/C(=C\C(Cl)=C\c2ccccc2)C(=O)N1CC(=O)N1CCCC[C@@H]1CCO 9253196 ZFFGBMCATFBPQG-AXFSVBCQSA-N 434.945 3.609 0 40 IHAB O=C(CNc1cccc(S(=O)(=O)N2CCCCC2)c1)NCC12CC3CC(CC(C3)C1)C2 9322901 VCEKJFDAMWVACD-UHFFFAOYSA-N 445.629 3.606 0 40 IHAB CS(=O)(=O)c1cccc(-c2nnc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)o2)c1 9346700 MJMBQGKHGCDNGK-UHFFFAOYSA-N 447.472 3.623 0 40 IHAB CCOc1c(Cl)cc(C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1OC 9395818 HTQIKUZDOPTLPK-GFCCVEGCSA-N 435.860 3.703 0 40 IHAB Cc1csc(-c2ccc(OCC(=O)N(c3ccccc3)[C@H]3CCS(=O)(=O)C3)cc2)n1 9836722 LHANIAILLRNWTQ-IBGZPJMESA-N 442.562 3.718 0 40 IHAB CCOC(=O)c1ccc(N2CCN(CC)CC2)c(NC(=O)c2ccc(OC)c(Cl)c2)c1 10059901 HQFJABZCDFLKOC-UHFFFAOYSA-N 445.947 3.920 0 40 IHAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)OCc1nc(-c2cccs2)oc1C 10720964 ZRQSMEHINOAOSM-SFHVURJKSA-N 446.550 3.531 0 40 IHAB COc1ccc(C)cc1N1C[C@@H](C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)CC1=O 11418698 UCLYQAQATPVLQZ-HNNXBMFYSA-N 441.915 3.775 0 40 IHAB CCc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)CC1=O 11533090 XRLJZTIWZCMOEC-OAHLLOKOSA-N 434.414 3.803 0 40 IHAB CCCCn1c(=O)c(CCC(=O)O[C@@H](C)C(=O)N2CCc3ccccc32)nc2ccccc21 11590049 KPUQXYTXXKAKRK-SFHVURJKSA-N 447.535 3.650 0 40 IHAB CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)/N=c2/sc3ccccc3n2C)cc1 12140033 FFMHIVWYEJWDHP-GHVJWSGMSA-N 443.594 3.934 0 40 IHAB COc1ccc(NC(=O)c2cc(-c3ccncc3)c(N3CCOCC3)s2)c(OC)c1 12222594 GHXPRFTYATYBSI-UHFFFAOYSA-N 425.510 3.916 0 40 IHAB C[C@H](C(=O)NC(C)(C)C)N(C(=O)[C@@H]1COc2ccccc2O1)c1cnc2ccccc2c1 12471375 JPXKOVDBZMVPKF-ZHRRBRCNSA-N 433.508 3.711 0 40 IHAB CCn1c(CN2CCn3cccc3[C@@H]2C)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 12506398 DGFBBBUZGCNAST-SFHVURJKSA-N 441.601 3.609 0 40 IHAB COc1ccc(NC(=O)CCc2c(C)noc2C)cc1NS(=O)(=O)c1ccc(F)cc1 12532601 DLJQAJCUJPRTPJ-UHFFFAOYSA-N 447.488 3.811 0 40 IHAB COc1ccc(S(=O)(=O)N2CCc3cc(-c4csc(C)n4)ccc32)cc1NC(C)=O 12753504 RMZOLNCUVXNWHF-UHFFFAOYSA-N 443.550 3.837 0 40 IHAB COc1ccccc1-c1noc(COC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)n1 12789672 AHKRVVNSCPLGER-UHFFFAOYSA-N 446.463 3.539 0 40 IHAB CS(=O)(=O)c1ccccc1NC(=O)CN1CCc2sccc2[C@@H]1c1ccccc1 12796087 PYCTYBWYVGGDNW-QFIPXVFZSA-N 426.563 3.738 0 40 IHAB Cc1nn(CC(=O)Nc2ccnn2Cc2ccc(Cl)cc2Cl)c(=O)c2ccccc12 12815349 FNFWKRJPDYOUPC-UHFFFAOYSA-N 442.306 3.895 0 40 IHAB O=C(NCc1ccccc1)[C@@H](c1c(F)cccc1Cl)N(C(=O)c1csnn1)C1CC1 12873151 RHHBZDRNIGURAK-LJQANCHMSA-N 444.919 3.993 0 40 IHAB COC(=O)c1cc(/C=C/C(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)oc1C 12876998 IXTALIRNKZWBQK-VOTSOKGWSA-N 436.430 3.751 0 40 IHAB O=C1OCCN1CCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCC3 12908012 ZWDUNLXCTMRNHK-UHFFFAOYSA-N 441.578 3.929 0 40 IHAB C[C@H]1CN(S(=O)(=O)c2cc(C(=O)NCCC3=CCCCC3)ccc2Cl)C[C@@H](C)O1 12948689 SPRHWVJCQMBKBB-IYBDPMFKSA-N 440.993 3.758 0 40 IHAB Cc1cccc(N2CCN([C@@H](c3ccccc3)c3nnnn3Cc3ccco3)CC2)c1C 13505033 MTUXTBUVFNIDQC-DEOSSOPVSA-N 428.540 3.843 0 40 IHAB O=C(NCCN(Cc1ccccn1)Cc1cncc2c(Cl)n[nH]c12)c1cccs1 13991104 AXUQKGIXUQXLBR-UHFFFAOYSA-N 426.933 3.500 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)COc2cccc(C(F)(F)F)c2)cc1 14739035 QZIVGTFUDIEEKG-UHFFFAOYSA-N 430.448 3.753 0 40 IHAB Cc1cc(S(N)(=O)=O)cc(NC(=O)CN(Cc2ccc(F)cc2)C2CCCCC2)c1C 15483815 SSVWZDWHLHZERJ-UHFFFAOYSA-N 447.576 3.863 0 40 IHAB Cc1ccc(-n2c3c(c(SCC(=O)c4ccc5c(c4)OCCO5)nc2=O)CCC3)cc1 15840440 DBDVMBFPGKURIR-UHFFFAOYSA-N 434.517 3.776 0 40 IHAB COc1ccc(N(CC(=O)N2CCCc3ccccc32)S(=O)(=O)c2cccs2)cc1 16047150 COULZPOMZGHNPV-UHFFFAOYSA-N 442.562 3.931 0 40 IHAB O=S(=O)(Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1ccccc1Cl 16098757 DQDYODWSZUICHK-UHFFFAOYSA-N 449.381 3.969 0 40 IHAB COc1ccc(Cc2nn(CC(=O)Nc3cccc(OC)c3)c(=S)n2-n2cccc2)cc1 16807236 HEYUHHUOZUCJTH-UHFFFAOYSA-N 449.536 3.774 0 40 IHAB COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1 17129601 HJAVXEUCSBOCQG-UHFFFAOYSA-N 438.549 3.566 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(c3cc(C(=O)NCc4cccs4)on3)CC2)cc1 19211360 LDSXJUBSFJBIDJ-UHFFFAOYSA-N 445.566 3.543 0 40 IHAB CCN1CCN(C(=O)COc2ccccn2)C[C@@H](Cc2ccccc2-c2cccs2)C1=O 19527734 IGZLHYNKZROJDJ-HXUWFJFHSA-N 449.576 3.739 0 40 IHAB Cc1cc(C(=O)CN2CCC(O)(CN3CCCC[C@@H]3c3cccnc3)CC2)c(C)s1 19567829 BAGVEDPACJJYEH-JOCHJYFZSA-N 427.614 3.997 0 40 IHAB Cc1ncc(C(=O)N2CCO[C@@H](c3c(C(=O)NC(C)C)sc4ccccc34)C2)c(C)n1 19697904 CWWKMIGYISYRAK-GOSISDBHSA-N 438.553 3.660 0 40 IHAB O=C(COc1ccc(CNc2cccc([C@H]3CCc4nncn4C3)c2)cc1)N1CCCC1 19699117 SAGIVXBOQVLBRC-NRFANRHFSA-N 431.540 3.621 0 40 IHAB Cc1nc([C@@H]2CCN(C(=O)C3(c4ccc(Cl)cc4)CCCCC3)C2)ncc1C(N)=O 19758176 AFLLSCIXUBHFAQ-MRXNPFEDSA-N 426.948 3.755 0 40 IHAB CNC(=O)c1cc([C@@H]2CCN(CC3=Cc4cc(OC)ccc4OC3)C2)nc2ccccc12 19761179 GAQSSGFNKIVUAV-GOSISDBHSA-N 429.520 3.868 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(=O)(=O)CC)cc1 20449256 FDMAXIZQYCFDEC-INIZCTEOSA-N 444.553 3.997 0 40 IHAB CC[C@@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1)c1ccc(C)cc1 20489296 JNMDSVCMYSHKTH-JOCHJYFZSA-N 432.561 3.943 0 40 IHAB CCc1ccccc1N(CC(=O)NCCCc1ccc(OC(C)C)cc1)S(C)(=O)=O 22329831 IJMPHZCKFHUJGA-UHFFFAOYSA-N 432.586 3.551 0 40 IHAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1 24226374 LBVVVUSVZQZXSG-QHCPKHFHSA-N 442.519 3.524 0 40 IHAB O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)OCc1cc(Cl)c2c(c1)OCO2 25995697 CSFAIVMLHCWIGE-UHFFFAOYSA-N 446.912 3.852 0 40 IHAB CC(=O)N1CCc2cc(NC(=O)c3ccccc3C(=O)c3ccc4c(c3)OCCO4)ccc21 26056910 KVWNSJFRMMDDNE-UHFFFAOYSA-N 442.471 3.850 0 40 IHAB CC[C@@H](c1nnc(S[C@@H](C)C(=O)Nc2cc(C)on2)n1Cc1ccccc1)N(C)C 32776099 XOUBLVYCGKYJGQ-RDJZCZTQSA-N 428.562 3.755 0 40 IHAB O=C(c1ccc2c(c1)OCCO2)C1CCN(Cc2nc(O)c3cc(Cl)ccc3n2)CC1 32825237 KSVQPXXWCJCPRR-UHFFFAOYSA-N 439.899 3.855 0 40 IHAB Cc1ccc(NC(=O)CSc2nnc(-c3ccc4c(c3)OCCO4)c(O)n2)c(Cl)c1 32836334 WFWSQWXCVYICHL-UHFFFAOYSA-N 444.900 3.708 0 40 IHAB Cc1ccc(NC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)cc1S(N)(=O)=O 32905503 NAUJYUSHQPGMGN-UHFFFAOYSA-N 428.897 3.779 0 40 IHAB CCNC(=O)NC(=O)[C@H](C)SC1=N/C(=C/c2ccccc2)C(=O)N1c1ccc(F)cc1 33474650 OEWKPVAAJHAVMZ-RAOBZKRQSA-N 440.500 3.537 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C)CC2)C2CCCCC2)cc1Cl 33546872 LBPOXGIPHXRGRY-UHFFFAOYSA-N 443.009 3.931 0 40 IHAB COc1ccc(NC(=O)N(Cc2cc3cc(C)ccc3n3nnnc23)C[C@H]2CCCO2)cc1 35315969 ZKPSRDJVQKAPHX-OAQYLSRUSA-N 446.511 3.808 0 40 IHAB O=C(CN1CCN(C(=O)c2cccs2)CC1)Nc1ccc2c(c1)OC1(CCCCC1)O2 35362712 OMBGKXXMKPMPQI-UHFFFAOYSA-N 441.553 3.576 0 40 IHAB CCOc1cc(CN(C)[C@@H](C)C(=O)NC(=O)NC2CCCCC2)ccc1OC(F)F 40086158 DUOQCBAZSDBBMI-AWEZNQCLSA-N 427.492 3.666 0 40 IHAB COc1cccc([C@H]2CC(O)=Nc3c2c(C)nn3-c2ccc3nncn3n2)c1OC(C)C 40288473 IELSSDAKPNWOMY-OAHLLOKOSA-N 433.472 3.538 0 40 IHAB CSc1ccccc1NC(=O)C(=O)NCC1CCN(C(=O)Nc2ccc(F)cc2)CC1 43943926 DBYQSFBRIPTEGV-UHFFFAOYSA-N 444.532 3.546 0 40 IHAB CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)OCc2ccccc2)cn3C2CC2)CC1 51364276 XADGEOBHMCRTKW-UHFFFAOYSA-N 449.526 3.974 0 40 IHAB COc1ccc(CC(=O)N2CCC[C@H]2c2cc(C(F)(F)F)c(CNC(C)=O)cn2)cc1 72356147 USRYFHNCOVXJLV-FQEVSTJZSA-N 435.446 3.651 0 40 IHAB O=C(c1cc(-c2ccco2)n[nH]1)N1CC(c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 77190961 LJPVAPKVBMWWCX-UHFFFAOYSA-N 429.358 3.978 0 40 IHAB Cc1cc(NC(=O)CSCC(=O)N[C@@H](COc2c(C)cccc2C)C(C)(C)C)no1 79094125 ZQFOGIPMWYWTKS-KRWDZBQOSA-N 433.574 3.881 0 40 IHAB COc1ccc(NC(=O)[C@H](C)Oc2ccc(C)cc2)cc1S(=O)(=O)N1CCCCC1 89636885 KKFWNBQVEFUVGB-KRWDZBQOSA-N 432.542 3.584 0 40 IHAB CCc1nc2ccc(C(=O)N3CCC(S(=O)(=O)c4ccc(OC)cc4)CC3)cc2s1 96099615 CQEMJIWJPXYYLD-UHFFFAOYSA-N 444.578 3.946 0 40 IHAB COc1cccc(-c2cnc3n2CCC32CCN(S(=O)(=O)c3cccs3)CC2)c1 96263422 IDZWTCPEYMSCAY-UHFFFAOYSA-N 429.567 3.746 0 40 IHAB O=C(CNC(=O)OCc1ccccc1)Nc1ccccc1Cc1nc(-c2ccco2)no1 96357876 JMZCYMNNEQSCPH-UHFFFAOYSA-N 432.436 3.785 0 40 IHAB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1)c1ccc(Cl)cc1 100560963 YMZWCGXHMJOYJY-LRGYGIHKSA-N 435.863 3.691 0 40 IHAB COc1ccc(Cl)cc1NC(=O)c1cccc(NC(=O)[C@H]2[C@@H]3C[C@H]4OC(=O)[C@H]2[C@H]4C3)c1 101276954 FCUQAEXLQOHCQV-XPNDLTMMSA-N 440.883 3.737 0 40 IHAB O=S(=O)(c1ccccc1)C1C[C@@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc2c(c1)CCCC2 101322950 GKFKNHHXEOGATC-PMACEKPBSA-N 445.606 3.723 0 40 IHAB CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(OC)c2)=N[C@H]1c1ccccc1 104732078 YTLBAZQEEFBHMW-NRFANRHFSA-N 439.537 3.905 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3C(N)=O)c(Cl)c2)cc1 216309716 MVXCYKNPPVGURX-UHFFFAOYSA-N 443.912 3.800 0 40 IHAB O=C(NC[C@@H]1COc2ccccc2O1)C1CCN(Cc2ccc(Br)cc2)CC1 225269916 GCUFRXLYUOVHSV-LJQANCHMSA-N 445.357 3.617 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)N(C)Cc2ccccc2F)Cc2ccccc2)cc1 225998485 MVKZKCJJUBFPHT-UHFFFAOYSA-N 440.540 3.984 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCc2cccc3ccccc23)cc1C 226065165 DBTYOTFJJRLVAJ-UHFFFAOYSA-N 440.565 3.874 0 40 IHAB Nc1cc(-c2cncnc2[C@@H]2CCN(C(=O)CCCc3c[nH]c4ccccc34)C2)ccn1 257254086 KBNDWSKWLWUWEU-LJQANCHMSA-N 426.524 3.941 0 40 IHAB COc1ccccc1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1cccs1 257309592 UBNBVVYQBFXARG-INIZCTEOSA-N 438.571 3.739 0 40 IHAB Cc1ccc(CN(CC(=O)N2CCc3ccccc3C2)S(=O)(=O)c2ccccc2)cc1 409004070 NXKYRQKGUOXKCQ-UHFFFAOYSA-N 434.561 3.771 0 40 IHAB O=C(N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn23)C1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 1115840057 SNTXHZCVHAHYLU-GVWLRFCXSA-N 448.489 3.785 0 40 IHAB Cc1cc(C)n(CCc2nc3c4ccccc4n(Cc4ccccc4Cl)c(=O)n3n2)n1 1889295579 HMVDHOHQKMKNRL-UHFFFAOYSA-N 432.915 3.802 0 40 IHAB CC(=O)c1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2cccs2)cc1 646122 AUGIVSDYNQWPBK-FQEVSTJZSA-N 440.546 3.705 0 40 IHAB biogenic,in-vitro Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3Br)cc2)no1 945104 FAEAPAQSQWWGEF-UHFFFAOYSA-N 436.287 3.799 0 40 IHAB COc1ccc(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2OC)C3=O)cc1 990599 YGCVVXVCUBVXTQ-UHFFFAOYSA-N 445.427 3.544 0 40 IHAB COc1ccc(Nc2nc(NCc3cccnc3)nc(NCc3cccnc3)n2)c(OC)c1 1058449 PYDYALMSYPKDNQ-UHFFFAOYSA-N 444.499 3.647 0 40 IHAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1Cl 1791557 UXENYNODOSWXGM-CQSZACIVSA-N 428.872 3.595 0 40 IHAB Cc1oc2cc3oc(=O)c(CC(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)O)c(C)c3cc2c1C 2097213 PDGLCBLDBVYUDT-FQEVSTJZSA-N 449.459 3.525 0 40 IHAB biogenic COCC(=O)Nc1nc2n(n1)[C@@H](c1ccc(OC)cc1)C[C@@H](c1ccc(Cl)cc1)N2 2422854 FLZSHEQGLFRKQL-ZWKOTPCHSA-N 427.892 3.671 0 40 IHAB Cn1c(SCC(=O)Nc2ccc(Br)cc2)nc2c([nH]c3ccccc32)c1=O 2720603 RDXDNTZJNIAUDH-UHFFFAOYSA-N 443.326 3.908 0 40 IHAB CCc1nc2ccccc2c(C(=O)OCC(=O)NCCc2ccc(OC)c(OC)c2)c1C 3249832 ORRCLNOYBCOAEH-UHFFFAOYSA-N 436.508 3.639 0 40 IHAB O=C(C[C@H]1Sc2ccccc2NC1=O)OCC(=O)c1ccc(Br)s1 3322664 ZWSOUMCHCNQXLG-CYBMUJFWSA-N 426.313 3.740 0 40 IHAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 3615138 YJUOMXPQWRZHLU-UHFFFAOYSA-N 448.850 3.632 0 40 IHAB Cc1ccc(N2C[C@@H](NC(=O)N3CCN(c4ccccc4Cl)CC3)CC2=O)cc1C 5087753 NLAKHXIEXNUFGH-SFHVURJKSA-N 426.948 3.594 0 40 IHAB CCc1nnc2n1N[C@H](c1ccc(OC)cc1)[C@@H](C(=O)Nc1ccc(Cl)cc1)S2 9197173 XCIIBHDACBHOLU-MSOLQXFVSA-N 429.933 3.900 0 40 IHAB Cc1cc(C)c2c(n1)sc1c(=O)n(CC(=O)OCCOc3ccc(Cl)cc3)cnc12 9223464 USRJGIACLBWWQF-UHFFFAOYSA-N 443.912 3.899 0 40 IHAB COc1cc(/C=C2\SC(=O)N(CCCc3ccccc3)C2=O)ccc1OCC(=O)O 9296028 XCSYVRWVBZPILA-UYRXBGFRSA-N 427.478 3.828 0 40 IHAB COC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N([C@@H](C)C(=O)OC)C3=O)o2)c(C)c1 9322990 ZWIXPOLRCAWGTG-VAKHEIKFSA-N 429.450 3.639 0 40 IHAB CCOC(=O)[C@H]1Sc2nc(O)sc2[C@H](c2ccc(Cl)cc2)[C@@H]1C(=O)OCC 9556375 HFMIUQYLOXFQDO-DYEKYZERSA-N 427.931 3.851 0 40 IHAB CCS(=O)(=O)N1CCc2cc(C(=O)COc3ccc(C(=O)c4ccccc4)cc3)ccc21 9646519 NTUSPTMFYCZUMR-UHFFFAOYSA-N 449.528 3.892 0 40 IHAB O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1ccccc1)NCc1nnc2ccccn12 9740465 SHBKSPFOEIRNSV-CCEZHUSRSA-N 434.503 3.971 0 40 IHAB CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CSc1nncn1-c1ccccc1 9792458 OBXKCFGHERUNNC-UHFFFAOYSA-N 440.554 3.910 0 40 IHAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1CCC(=O)N1CCc2sccc2[C@H]1c1cccs1 9954258 XIVOZKMHLOASRV-MDOVXXIYSA-N 426.563 3.625 0 40 IHAB CCN(CC)c1ccc(NC(=S)NC(=O)c2cc(OC)c(OC)c(OC)c2)c(C)c1 10003659 MIHLCGZRWKVDCF-UHFFFAOYSA-N 431.558 3.994 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCCN3C[C@H](C)C[C@@H](C)C3)cc2)cc1 10112644 UKTKBKNFYVACGH-WOJBJXKFSA-N 443.613 3.894 0 40 IHAB COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1cccc(Br)c1 10119836 XOFWUEZZUHODPR-UHFFFAOYSA-N 430.287 3.876 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCCSCc1ccccc1F)c1ccc(F)cc1 10282451 BYUDPMZWLYYQEM-UHFFFAOYSA-N 442.553 3.561 0 40 IHAB Cc1ccc2c(c1)C(=O)N(CC(=O)N1CCC(C(C)(C)C)CC1)CC1(CCOCC1)O2 12086903 HJCCRZPBBBSSRP-UHFFFAOYSA-N 428.573 3.664 0 40 IHAB Cc1ncc(-c2ccncc2)c([C@@H]2CCCN(C(=O)C[C@H]3OC(=O)c4ccccc43)C2)n1 12088632 HIMHIOKBPBRRGG-XMSQKQJNSA-N 428.492 3.855 0 40 IHAB CCCn1c(SCC(=O)NC(=O)NCc2ccco2)nnc1-c1ccc(Cl)cc1 13072487 JEOINPQRSJVJEB-UHFFFAOYSA-N 433.921 3.720 0 40 IHAB Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)O 13133530 LIZVVNFAFNWMLU-YVSFHVDLSA-N 438.311 3.672 0 40 IHAB C[C@@H](Oc1ccc(CCO)cc1-n1nc2ccccc2n1)C(=O)Nc1ccc2c(c1)CCC2 13163495 QYOFEPNMYUPNIS-QGZVFWFLSA-N 442.519 3.850 0 40 IHAB COc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4F)[nH]c(=O)c32)cc1OC 13567379 DYQVWNPWRDNJIW-AWEZNQCLSA-N 441.484 3.693 0 40 IHAB C[C@@H]1c2cc3c(cc2CCN1S(=O)(=O)c1ccc(Br)cc1)OCCCO3 13576625 RQPBITJXDVSCBO-CYBMUJFWSA-N 438.343 3.918 0 40 IHAB Cc1nc2c(sc(=S)n2Cc2ccco2)c(=O)n1CC(=O)Nc1ccc(F)cc1 13592886 JUAIZEVDDOUPOL-UHFFFAOYSA-N 430.486 3.717 0 40 IHAB CC[C@@H](C(=O)Nc1ccccc1C(=O)NCC(C)C)N(c1ccc(C)cc1)S(C)(=O)=O 13686115 BKWCTZFSOGJASR-NRFANRHFSA-N 445.585 3.564 0 40 IHAB O=C(NCCNC(=O)C(c1ccccc1)c1ccccc1)c1ccc(NC(=O)C2CC2)cc1 13854793 AIPIEYTUPMGZSI-UHFFFAOYSA-N 441.531 3.713 0 40 IHAB CN(Cc1ccc(C(C)(C)C)cc1)Cn1cc(S(=O)(=O)N2CCOCC2)ccc1=S 14200300 QRLLJASAQTXEOW-UHFFFAOYSA-N 449.642 3.625 0 40 IHAB C[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)c1ccc(F)c(F)c1 14245045 FMAYNNLBCMZXOA-CYBMUJFWSA-N 426.460 3.770 0 40 IHAB O=C(CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1)NCc1ccc(Cl)cc1 15523894 LLDLLGFDRUJXQW-UHFFFAOYSA-N 426.870 3.582 0 40 IHAB CCOc1ccccc1NC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2)cc1 16693529 RIRJEVTYGKNYIO-UHFFFAOYSA-N 426.494 3.904 0 40 IHAB Cc1ccc(CC(=O)N2CCC[C@@H](c3nn(C)cc3-c3ccnc(N4CCCC4)n3)C2)cc1 19209447 OERJWDUQDJJKAQ-OAQYLSRUSA-N 444.583 3.734 0 40 IHAB O=C([C@H]1CC12CCC2)N1CCC(c2cc3nc4c(c(O)n3n2)CN(C2CCCC2)CC4)CC1 19292135 VETCGORXKSHULB-HXUWFJFHSA-N 449.599 3.632 0 40 IHAB O=C(C[C@@H]1NC(=O)c2ccccc21)N[C@H]1CCCc2c1cnn2Cc1ccc(Cl)cc1 19375056 DNGQZEUODYOZQS-SFTDATJTSA-N 434.927 3.953 0 40 IHAB CCC[C@]1(C(=O)OCC)N[C@H](c2ccccc2F)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 19502047 ILKNXVBYDHWGND-SMOZNVCYSA-N 442.462 3.517 0 40 IHAB COc1ccc(CC(=O)N2CCNC(=O)[C@H](Cc3ccccc3-c3ccccc3)C2)cc1 19554272 NXZXPJSYFLISJF-HSZRJFAPSA-N 428.532 3.722 0 40 IHAB COc1cccc(C(=O)N[C@@H](Cc2cc(=O)[nH]c(-c3ccccn3)n2)c2ccccc2)c1 19564770 JNEIRNCUOMOYPJ-QFIPXVFZSA-N 426.476 3.554 0 40 IHAB CC(=O)Nc1ccc(C(=O)N2CCC[C@H](c3nc(C)c4c(n3)N(CC3CC3)CCC4)C2)cc1 19754769 KANJWHSGPQUVBN-NRFANRHFSA-N 447.583 3.926 0 40 IHAB COc1ccc(S[C@@H](C)C(=O)Nc2cc(S(=O)(=O)NC(C)C)ccc2OC)cc1 20487691 PDJRKKPIOZSWHX-AWEZNQCLSA-N 438.571 3.510 0 40 IHAB CCc1nc2sc([C@@H](c3ccc(Cl)cc3)N3CCC(C(=O)OC)CC3)c(O)n2n1 22853600 QNWBSBFGWPSXLA-MRXNPFEDSA-N 434.949 3.687 0 40 IHAB CCOC(=O)c1c(N2C(=O)C[C@@H](Sc3ccc(N)cc3)C2=O)sc2c1CCCC2 22867772 SCUADVGTPFTXHR-MRXNPFEDSA-N 430.551 3.810 0 40 IHAB CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N(Cc2ccccc2)CC(F)(F)F)C1=O 22983663 ABXPPQMLJINPPF-QFIPXVFZSA-N 447.457 3.825 0 40 IHAB CN(C)S(=O)(=O)c1cccc(C2=N/C(=C\c3ccc(-c4ccc(F)cc4)o3)C(=O)O2)c1 23109359 JQRSFXOWQAQABS-UYRXBGFRSA-N 440.452 3.681 0 40 IHAB O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCN(Cc2cccc3cccnc23)CC1 24193352 RGMHPRPCMDGKQP-UHFFFAOYSA-N 435.471 3.760 0 40 IHAB CCn1c(SCc2ccc(OC)c(OC)c2)nnc(NCc2ccc(C)cc2)c1=O 28538794 RGJXENJEVIPKKD-UHFFFAOYSA-N 426.542 3.888 0 40 IHAB Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)N(C(C)C)C(C)C)cc1 28797101 IKFRUPXBQRKNQA-GOSISDBHSA-N 446.569 3.987 0 40 IHAB O=C(Nc1cccc(OC(F)(F)F)c1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 31031284 TTWAPTFRFBLQGK-KRWDZBQOSA-N 428.432 3.767 0 40 IHAB COc1cc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)cc(OC)c1 32145655 SOMWRHSUYUSAJL-UHFFFAOYSA-N 430.457 3.896 0 40 IHAB CCOC(=O)c1cc(CC)sc1NC(=O)CCn1cnc2sc(C)c(C)c2c1=O 32895880 UEQPGAQAUKUYKM-UHFFFAOYSA-N 433.555 3.904 0 40 IHAB COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2cnc3cc(C)nn3c2C)cc1 32900518 HEWKPORUHBTGCQ-UHFFFAOYSA-N 443.507 3.580 0 40 IHAB C[C@@]1(c2cccc(C(F)(F)F)c2)NC(=O)N(CC(=O)NC2CCCCCCC2)C1=O 40116844 MLGPPFZDOCDAEP-FQEVSTJZSA-N 425.451 3.702 0 40 IHAB CCOC(=O)c1sc(NC(=O)CSc2cc(-c3ccc(F)cc3)ncn2)nc1C 42381367 QQQDEGVNVXVTEM-UHFFFAOYSA-N 432.502 3.955 0 40 IHAB COc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@@H]2c2ccc(OC)c(OC)c2)cn1 44892050 DFVZGFCPKJYCKX-XZOQPEGZSA-N 447.491 3.657 0 40 IHAB CCOC(=O)c1[nH]c2ccccc2c1NC(=O)[C@@H](C)N1CCN(c2ccccc2F)CC1 57063805 AOBVDOWUCACEEV-MRXNPFEDSA-N 438.503 3.633 0 40 IHAB O=C(c1cccs1)N1CCC(C(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)CC1 58216436 IDKFRWRQORSYJC-UHFFFAOYSA-N 449.979 3.737 0 40 IHAB CN(C[C@@H]1CCCO1)c1nc(CN2CCOCC2)nc2scc(-c3cccs3)c12 58216914 LIHDAXHFHMYYJL-HNNXBMFYSA-N 430.599 3.867 0 40 IHAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3ccccc3I)c2)n1 58319164 NYGYALMYKXSIQH-UHFFFAOYSA-N 431.233 3.602 0 40 IHAB O=C(Cn1nc(N2CCC(Cc3ccccc3)CC2)ccc1=O)Nc1ccc(Cl)cc1 71285479 HMEPRDZSHTZIQZ-UHFFFAOYSA-N 436.943 3.995 0 40 IHAB COCCN(C(=O)c1ccc(F)cc1F)[C@@H](C(=O)OC)c1ccc(Br)cc1 72292795 LAWHOQDWOIAKLT-QGZVFWFLSA-N 442.256 3.730 0 40 IHAB CCN1CCN(C(=O)c2ccccn2)[C@H](Cc2cccc(-c3ccc(OC)cc3)c2)C1=O 72351447 GDZXFVYMGGTQST-XMMPIXPASA-N 429.520 3.673 0 40 IHAB CC(=O)NC1(CC(=O)N2CCC[C@H](c3ccc(Nc4cnccn4)cn3)C2)CCCCC1 72353486 SJLMFBKNXXDNMV-IBGZPJMESA-N 436.560 3.550 0 40 IHAB COc1cc2c(cc1CN1CCC[C@@H](c3cc(-c4cnc(N)nc4)cc(C)n3)C1)OCCO2 72353764 UPKVTIYWEFJYIR-QGZVFWFLSA-N 447.539 3.589 0 40 IHAB COc1cc(COCC2CCN(CC(=O)NCc3ccccc3Cl)CC2)cc(OC)c1 77191440 JVFARXIYNLUSKN-UHFFFAOYSA-N 446.975 3.902 0 40 IHAB O=C(Cc1ccccc1Br)NC1(c2nc(-c3cnccn3)no2)CCCCC1 77197501 YUQMKHZUGNTEOO-UHFFFAOYSA-N 442.317 3.807 0 40 IHAB CCN(CC)C(=O)c1cnc(C)nc1[C@H]1CC[C@H](CNC(=O)CCc2ccco2)CC1 100205058 XQPLYMNAFNBFAE-KDURUIRLSA-N 426.561 3.883 0 40 IHAB CO[C@H]1CC[C@H](C(=O)N(C)C2CCC3(CC2)CN(C(C)=O)Cc2ccccc2O3)CC1 100749143 NROXSBXYEUSKOT-GKANFSFASA-N 428.573 3.773 0 40 IHAB COc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)N5CCN(c6ncccn6)CC5)(C4)C2)C3)cc1 100777168 UPHZHBBMZXVPAC-WSQGFLFRSA-N 432.568 3.672 0 40 IHAB C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)/N=c2/sc3cc(F)ccc3n2C)cc1 100861242 BEJPIPXWCKKNEN-ZMCBVEOSSA-N 447.557 3.683 0 40 IHAB O=C1[C@H]2ON=C(c3ncc(C(F)(F)F)cc3Cl)[C@H]2C(=O)N1c1ccc(Cl)cc1 100923321 HDGRGYIOPAXWKP-RISCZKNCSA-N 430.169 3.700 0 40 IHAB CCOc1ccc(N(CCCC(=O)N[C@@H](CC)c2ccc(OC)cc2)S(C)(=O)=O)cc1 113962630 ADBQJNJNXQPCGE-QFIPXVFZSA-N 448.585 3.908 0 40 IHAB C[C@H](C(=O)NC[C@@H]1CCCO1)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1Cl 222880360 DAHPJYICLZISBO-APWZRJJASA-N 448.922 3.570 0 40 IHAB Cc1ccc(CN(CC(=O)Nc2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)cc1 223336631 TWPCMPGPYAJCSA-UHFFFAOYSA-N 438.549 3.974 0 40 IHAB CCOc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc(OC)c(CC)c3)n2)cc1 223622684 LVULODIDBRKLMP-UHFFFAOYSA-N 431.514 3.527 0 40 IHAB CCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CCc1ccc2c(c1)OCCO2 224306819 PGZMVDLUIIMMFO-FQEVSTJZSA-N 444.959 3.987 0 40 IHAB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN1C(=O)c2cccc3cccc1c23 225464328 AXQKGOKSAFHFHY-GOSISDBHSA-N 429.520 3.742 0 40 IHAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1cccc(N(C)S(C)(=O)=O)c1 225678493 PRHKOXFHALOZIN-SFHVURJKSA-N 433.599 3.980 0 40 IHAB Cc1ccc(N([C@@H](C)C(=O)Nc2nnc(SC(C)C)s2)S(C)(=O)=O)cc1Cl 225776025 WBEHDJSATDQZMJ-NSHDSACASA-N 449.023 3.794 0 40 IHAB C[C@@H]1CCCCN1c1cc(N2CCOCC2)nc(NC(=S)NC2CCCCCC2)n1 226010120 FXWRPJJSNMBTPR-QGZVFWFLSA-N 432.638 3.701 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N(C)Cc2ccccc2F)cc1Cl 226067253 VUBONXNDHMYJDS-UHFFFAOYSA-N 442.940 3.547 0 40 IHAB Cc1nnc(NC(=O)[C@H](C)Sc2ccc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)O)cc2)s1 245226224 LFKPGRILDNNERB-IUIKQTSFSA-N 446.554 3.571 0 40 IHAB Cc1ccc(OCCCC(=O)N2CCO[C@@H](c3ccc(Nc4cnccn4)cn3)C2)c(C)c1 257215460 CQEWEBUEIKULSJ-HSZRJFAPSA-N 447.539 3.991 0 40 IHAB CCN(CC)C(=O)c1cncnc1[C@H]1CC[C@H](CNC(=O)Cc2ccc(F)cc2)CC1 257244356 IKYRQQQLALOLNZ-WGSAOQKQSA-N 426.536 3.730 0 40 IHAB CNc1cc([C@@H]2CCCN2C(=O)C2(Cc3ccccc3F)CCN(C(C)=O)CC2)ccn1 257247057 IXFBCFCSUBEPHN-QFIPXVFZSA-N 438.547 3.797 0 40 IHAB Cn1cc(C(=O)N2CCO[C@@H](c3cccc(Cc4ccccc4C(F)(F)F)n3)C2)cn1 257298919 RNVYJJAOWMWLEN-HXUWFJFHSA-N 430.430 3.638 0 40 IHAB CC[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1)c1ccc(OC)cc1 260910295 XTPFEWCGOBVSFU-SIKLNZKXSA-N 430.570 3.672 0 40 IHAB Cc1ccccc1C(=O)N1Cc2cn(C(C)C)nc2C2(CCN(c3ncccn3)CC2)C1 306130678 JMUAUTKJQIVCLK-UHFFFAOYSA-N 430.556 3.757 0 40 IHAB CC(C)n1cnc([C@H]2CN(Cc3ccsc3)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 306139317 SUOHZGZVYLOBHQ-QPPBQGQZSA-N 435.597 3.939 0 40 IHAB CS(=O)(=O)N(CC(=O)Nc1ccc(Cl)cc1)Cc1ccc(Br)cc1 408607332 JYYCKWDALMCTCT-UHFFFAOYSA-N 431.739 3.503 0 40 IHAB Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)cc2)cc1C 408659020 LRSMFKDJLPAVOO-HTUUBCJYSA-N 446.503 3.634 0 40 IHAB Cc1ccc(C)c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)c1 408660923 NUYPCVOMELZRCB-WOJBJXKFSA-N 432.476 3.555 0 40 IHAB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1)Nc1ccc(Cl)cc1 408670889 XPKGPRHXPLPGIF-OALUTQOASA-N 438.867 3.591 0 40 IHAB Cc1cc(NC(=O)[C@H](C)NC(=O)OCc2ccccc2)ccc1I 408737724 WDUMGZFTLDUHDF-ZDUSSCGKSA-N 438.265 3.853 0 40 IHAB CC(=O)Nc1ncc(S(=O)(=O)N(Cc2ccccc2C(F)(F)F)CC2CC2)s1 553881953 RCYPTDIKEAOPLZ-UHFFFAOYSA-N 433.477 3.721 0 40 IHAB CO[C@H]1CCN(C2CCN(S(=O)(=O)c3ccc(Oc4cccc(C)c4)cc3)CC2)C1 1565523358 LZKGNEGEPUXPOU-QFIPXVFZSA-N 430.570 3.661 0 40 IHAB Nc1c(C(=O)NC2CCCC2)c2nc3ccccc3nc2n1-c1ccc2c(c1)OCCO2 2254985 DYEHJMZRLKRADQ-UHFFFAOYSA-N 429.480 3.600 0 40 IHAB Cc1cccn2c(=O)c3cc(C(=O)N4CCN(c5cccc(Cl)c5)CC4)sc3nc12 2466938 NCZKVUJYUKQBTQ-UHFFFAOYSA-N 438.940 3.833 0 40 IHAB O=C1c2ccccc2C(=O)N1CCSc1nc2ccccc2c(=O)n1-c1ccccc1F 3336707 FCGRUFNRMOPVLL-UHFFFAOYSA-N 445.475 3.913 0 40 IHAB COC(=O)c1ccc(CSc2nnc(NC(=O)c3ccc4c(c3)OCCO4)s2)cc1 3366532 RWBSSMRQCHOHDR-UHFFFAOYSA-N 443.506 3.641 0 40 IHAB Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 8444523 ZZONEMKGSZAFDE-UHFFFAOYSA-N 444.929 3.977 0 40 IHAB CN(c1ccc(C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)cc1)S(C)(=O)=O 8705718 YHRFJKXRROCUMW-UHFFFAOYSA-N 437.930 3.761 0 40 IHAB Cc1ccc(S(=O)(=O)c2nc(-c3ccc(Cl)cc3)oc2N2CCN(C)CC2)cc1 8844637 ZVTMDRXJJOOQBW-UHFFFAOYSA-N 431.945 3.888 0 40 IHAB COc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2ccncc2)cc1OC 8845133 LPKCPXAILQJYBX-XMMPIXPASA-N 442.475 3.940 0 40 IHAB COc1cc(C(=O)Nc2sc3c(c2C(N)=O)CCC3)ccc1OCc1c(C)noc1C 9119638 MDDGKZBVSLFZCR-UHFFFAOYSA-N 441.509 3.780 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(C(=O)OCc2ccc(-n3cccn3)cc2)ccc1Cl 9253845 HYPRCLQBXMIELG-UHFFFAOYSA-N 447.944 3.913 0 40 IHAB Cc1onc(-c2ccccc2Cl)c1C(=O)OCc1cccc(S(=O)(=O)N(C)C)c1 9256688 MAQKRJBLPPHGEJ-UHFFFAOYSA-N 434.901 3.911 0 40 IHAB CCOc1ccc(NC(=O)Cc2nnc(SCC(=O)c3ccc(F)cc3)n2C)cc1 9263660 LKYHKZGKDZEJNJ-UHFFFAOYSA-N 428.489 3.509 0 40 IHAB CCn1c(S[C@@H](C)c2nnc(-c3cccs3)o2)nc2cc(S(N)(=O)=O)ccc21 9376425 XHEJCEKZJXGSSH-JTQLQIEISA-N 435.556 3.668 0 40 IHAB CC(C)[C@@H]1Cc2c(sc3nc(SCC(=O)O)n(Cc4ccccc4)c(=O)c23)CO1 9425432 ACOOOFJFSUVIME-HNNXBMFYSA-N 430.551 3.780 0 40 IHAB Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)cc12 9509790 XNHMGOHBTCTMQX-UHFFFAOYSA-N 440.550 3.898 0 40 IHAB COc1cc(C(=O)OCC(=O)N2CCCC[C@@H]2C)cc(NC(=O)c2cccs2)c1OC 9510301 NDQFNZWBBRKADX-AWEZNQCLSA-N 446.525 3.575 0 40 IHAB COc1ccc(/C=C/C(=O)NCc2ccc(C)cc2)cc1S(=O)(=O)N1CCCCC1 9631784 QEPBACZETOUTHL-ACCUITESSA-N 428.554 3.508 0 40 IHAB COc1cccc(/C=C(/C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)c2ccccc2)c1 9634225 OVBUBBTXYAOLGU-RCCKNPSSSA-N 442.471 3.764 0 40 IHAB COc1ccc(NC(=O)CSc2nnc(-c3cccc(OC)c3)n2-n2cccc2)cc1 9738526 NDWATIYLCLQQQX-UHFFFAOYSA-N 435.509 3.806 0 40 IHAB Cc1cc(F)ccc1S(=O)(=O)N1CCCC[C@@H]1CCNC(=O)NC1CCCCC1 9749773 APVWULVEZMNDID-LJQANCHMSA-N 425.570 3.699 0 40 IHAB CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)N2CC(C)C)cc1 9933960 ASFFSWSROWUQMZ-NRFANRHFSA-N 439.512 3.916 0 40 IHAB COC(=O)c1ccc(C)c(NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c1 10009713 WSFJOMOFWXZBCN-UHFFFAOYSA-N 430.507 3.896 0 40 IHAB C[C@@H](OC(=O)[C@@H](C)Oc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 10211871 RJNWWWQAQDQHDD-HZPDHXFCSA-N 432.904 3.514 0 40 IHAB Cc1nn(CC(=O)Nc2cccc(C(F)(F)F)c2)c(=O)c2c1cnn2-c1ccccc1 12227937 DSLLDOJKTGSUJH-UHFFFAOYSA-N 427.386 3.548 0 40 IHAB Cc1nc(C)c(CC(=O)NCc2ccc(-c3nc(C4CC4)ncc3C(=O)N(C)C)cc2)s1 12231235 BLFZFOYRUKZAFW-UHFFFAOYSA-N 449.580 3.655 0 40 IHAB C[C@@H](CNS(=O)(=O)c1ccc(CCC(=O)O)cc1)c1nc2ccccc2n1C(F)F 12549933 OKOBVHGSHRFYFH-ZDUSSCGKSA-N 437.468 3.531 0 40 IHAB CS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)cc1 12604813 NDGZTGMTMARAPB-UHFFFAOYSA-N 445.522 3.535 0 40 IHAB CC(=O)c1ccccc1OCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1 12633945 IJFAMPHZBVKKJR-UHFFFAOYSA-N 444.553 3.780 0 40 IHAB O=C(NC[C@H](c1cccs1)N1CCOCC1)c1ccc(NC(=O)c2cccs2)cc1 12776437 YERBNVOVEGRSRH-GOSISDBHSA-N 441.578 3.865 0 40 IHAB Cc1cccc(-c2nnc(S)n2CC(=O)N(C)CC(=O)Nc2c(C)cc(C)cc2C)c1 12856847 BUEPDSHICQIIAM-UHFFFAOYSA-N 437.569 3.565 0 40 IHAB O=C(C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N(Cc1ccccc1F)C1CC1 12901648 GICMMEQGYUUVNX-UHFFFAOYSA-N 434.508 3.557 0 40 IHAB COC[C@@H](C)NC(=S)NC[C@@H](c1cccc(OC)c1OC)c1c[nH]c2ccccc12 13057966 USQITYHTFRBVAH-BEFAXECRSA-N 427.570 3.816 0 40 IHAB Cc1cccc(C)c1N(C(=O)[C@@H]1CSC(=O)C1)[C@H](C(=O)NC(C)(C)C)c1ccccn1 13086287 GPGRSOPVSJIYNL-UWJYYQICSA-N 439.581 3.967 0 40 IHAB COc1ccc2c(-c3ccccc3)cc(=O)n(S(=O)(=O)c3ccc4c(c3)OCCO4)c2c1 13128977 PYGAJQZRSHDBPF-UHFFFAOYSA-N 449.484 3.685 0 40 IHAB O=C(COC(=O)c1ccccc1F)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 13148934 QEUMQZUJWHICSY-UHFFFAOYSA-N 436.395 3.602 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@H](C)N2c3cccc4cccc(c34)S2(=O)=O)c(C)c1 13669941 PRVGNDBDWPVMIA-HNNXBMFYSA-N 438.505 3.861 0 40 IHAB COc1ccc(OC)c([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC(=O)NCc2ccccc2)c1 13777337 KCWWJCGIVTXAJS-HDYLNDSGSA-N 438.568 3.688 0 40 IHAB O=C(COCC(=O)N1CCN(c2ccccc2)CC1)Nc1ccc(Oc2ccccc2)cc1 13943977 USALSDPNWKLQNP-UHFFFAOYSA-N 445.519 3.783 0 40 IHAB CCc1nnc2sc(-c3ccc(CNC(=S)NC(=O)c4ccccc4C)cc3)nn12 17100577 DCLVDPGYZKXTRL-UHFFFAOYSA-N 436.566 3.528 0 40 IHAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O 17360565 FMRACZORWVRMKI-UHFFFAOYSA-N 443.550 3.861 0 40 IHAB COc1ccc(N2C(=O)C[C@H](N3CCC(CCc4cc(F)cc(F)c4)CC3)C2=O)cc1 18220185 IPWHZSURTCABRP-QFIPXVFZSA-N 428.479 3.950 0 40 IHAB CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCN(C(=O)C=C4CCN(C)CC4)C3)cc2n1 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443.503 3.951 0 40 IHAB CCOC(=O)c1c(-c2ccco2)csc1NC(=O)CSc1nnc2ccccn12 21470459 ONKMRENTJIETIC-UHFFFAOYSA-N 428.495 3.958 0 40 IHAB CCOc1cc(CNC23CC4CC(CC(C4)C2)C3)cc(Br)c1OCC(N)=O 22073851 GFKVXXATIJSYTF-UHFFFAOYSA-N 437.378 3.770 0 40 IHAB O=C(CN1CCN(Cc2ccc(Br)s2)CC1)NCc1ccccc1Cl 22915670 XKJVXRKZOZNLCY-UHFFFAOYSA-N 442.810 3.598 0 40 IHAB COCCN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 23039063 QULPTCCGIODTIA-UHFFFAOYSA-N 438.549 3.801 0 40 IHAB CS(=O)(=O)c1ccc(S(=O)(=O)NCCC(c2ccccc2)c2ccccc2)cc1 24051101 RVMGJVVABWXVEV-UHFFFAOYSA-N 429.563 3.591 0 40 IHAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 24809868 RSLQGCPWDJXIOI-UHFFFAOYSA-N 436.821 3.679 0 40 IHAB O=C(CN1CCC[C@H]1C(=O)NCc1ccco1)NCc1ccc(-c2ccc(Cl)cc2)o1 27142639 XUXHKSCAAWVIDI-FQEVSTJZSA-N 441.915 3.590 0 40 IHAB CCOc1ccc(NC(=O)c2[nH]c3c(c2C)C(=O)CCC3)cc1S(=O)(=O)N(CC)CC 32674764 MILZPACDYCBJPQ-UHFFFAOYSA-N 447.557 3.524 0 40 IHAB COC(=O)[C@@H](c1ccccc1Cl)N1CCN(C(=O)CCc2ccccc2Cl)CC1 32882158 TVCHQANPLQIZCV-OAQYLSRUSA-N 435.351 3.985 0 40 IHAB COc1ccc(Br)cc1S(=O)(=O)N1CCC(CN2CCCCCC2)CC1 32927494 XUXAUFAVBURANJ-UHFFFAOYSA-N 445.423 3.734 0 40 IHAB CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1 34889620 QAWBLXDHHDSTAY-ZDUSSCGKSA-N 441.347 3.543 0 40 IHAB O=C(c1ccc(-c2ccccc2)cc1)[C@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2C=CC=NN21 43191149 KQSZOQSYWIEUIS-ZKGSSEMHSA-N 447.494 3.951 0 40 IHAB Cc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1 44903542 FATFKAWYZSMHDT-UHFFFAOYSA-N 440.525 3.692 0 40 IHAB CCOc1ccc([C@@H](C)NC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)cc1 44946836 TXXVPQJJLATJME-GOSISDBHSA-N 430.570 3.892 0 40 IHAB CN(Cc1ccccc1)c1nc2ncn(CC(=O)Nc3ccc4c(c3)CCC4)c(=O)c2s1 67225846 NLIPQPHZUJUTGX-UHFFFAOYSA-N 445.548 3.617 0 40 IHAB O=S(=O)(c1cccc(F)c1)N1CCC2(CC1)C[C@H]2c1nnc(-c2cccc(F)c2)o1 71890422 HGOPRPKZXLAZSK-SFHVURJKSA-N 431.464 3.973 0 40 IHAB Clc1cc2c(cc1NCc1nnnn1-c1ccccc1Br)OCCCO2 72098645 OCRUBSXYUPPLHU-UHFFFAOYSA-N 436.697 3.852 0 40 IHAB Cc1cccnc1Nc1ccc([C@@H]2CCCN(C(=O)c3noc(C)c3CN(C)C)C2)nc1 72353480 RQSMQQGKAVWYRH-GOSISDBHSA-N 434.544 3.906 0 40 IHAB COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)/C=C/c2cccs2)c1 89481795 XADWAGNKEGKHQT-DHZHZOJOSA-N 430.507 3.915 0 40 IHAB Cc1ccc(N(C(=O)CCN(C)Cc2ccc(F)cc2F)[C@H]2C=CS(=O)(=O)C2)cc1C 89643211 CCSYAEXELYXIMN-NRFANRHFSA-N 448.535 3.747 0 40 IHAB CCOc1ccc2c(c1)[C@@H](C)CC(C)(C)N2S(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 95944080 HXXFERJCBLCPIV-HNNXBMFYSA-N 433.574 3.607 0 40 IHAB COc1ccc(OC)c([C@@H]2CC(c3cccc(Br)c3)=NN2S(C)(=O)=O)c1 95945201 WBCLMLNSIWMCRH-KRWDZBQOSA-N 439.331 3.577 0 40 IHAB COc1cc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3[C@@H]2CCOC(C)(C)C2)cc2c1OCCO2 96116694 HQCVEUCMFQVRRG-AUUYWEPGSA-N 445.541 3.972 0 40 IHAB COc1cc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3[C@@H]2CCOC(C)(C)C2)cc(OC)c1O 96117731 DNDPYEHOIXWJFG-ACJLOTCBSA-N 433.530 3.915 0 40 IHAB CC(C)n1cnc([C@@H]2CN(C(=O)c3ccccn3)c3ccc(C(=O)N4CCCCC4)cc32)n1 96156421 XRQZQYAWFMPZCA-HXUWFJFHSA-N 444.539 3.672 0 40 IHAB COCc1ccc(C(=O)NC[C@H]2CC[C@H](c3ccnc4nc(C(F)(F)F)nn43)CC2)cc1 100159062 WNESVHWKZCADQQ-FZNQNYSPSA-N 447.461 3.993 0 40 IHAB COc1ccccc1N(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O)C(=O)c1ccccc1C 100396809 HZMFNTWEHUTWIU-XLYFVYOPSA-N 442.515 3.661 0 40 IHAB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)c2C(N)=O)C1 102174458 OWBPKVGELVDMPW-NTLKJNNPSA-N 430.570 3.850 0 40 IHAB COc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)ccc1OCc1ccncc1 205760528 KOAHKZYDIRKZFY-YBFXNURJSA-N 442.493 3.657 0 40 IHAB Cc1cccc(CCCNC(=O)C2CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2)c1 216307677 TVDNPGXTZIKDFL-UHFFFAOYSA-N 449.016 3.939 0 40 IHAB CCOC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)c(C)c1 220006952 JRCCNMMGWMTZQF-UHFFFAOYSA-N 444.553 3.989 0 40 IHAB CCOc1ccccc1CNC(=O)[C@@H](C)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 220202394 YELXRMGFRUIGRA-CQSZACIVSA-N 444.475 3.575 0 40 IHAB CC[C@H](C(=O)Nc1ccc(OC)cc1OC)N(c1cc(Cl)ccc1C)S(C)(=O)=O 220710085 AQJUDAHYRGCURY-QGZVFWFLSA-N 440.949 3.849 0 40 IHAB COc1ccc(CCCNC(=O)CCCN(c2cccc(C)c2C)S(C)(=O)=O)cc1 222635250 XKMZXFWLWMDZDL-UHFFFAOYSA-N 432.586 3.607 0 40 IHAB COc1cccc(N(C)C(=O)c2ccc(OC)c(S(=O)(=O)N3CCCCCC3)c2)c1 222927405 HSGXGSXLCOLSOP-UHFFFAOYSA-N 432.542 3.545 0 40 IHAB CC[C@H](NC(=O)CN(c1cccc(OC(C)C)c1)S(C)(=O)=O)c1ccc(OC)c(C)c1 224036096 LVQJKTQOASSRHC-NRFANRHFSA-N 448.585 3.824 0 40 IHAB CCN(c1ccc(C(=O)Nc2ccccc2C(=O)OC)cc1)S(=O)(=O)c1ccccc1 224355134 USPSWNPIKIXMQW-UHFFFAOYSA-N 438.505 3.941 0 40 IHAB Cc1ccc(CN(CC(=O)N[C@@H](c2ccccc2)c2ccccc2C)S(C)(=O)=O)cc1 225065828 UBHDNPMPNIOKNP-VWLOTQADSA-N 436.577 3.971 0 40 IHAB O=C(c1ccccc1Cn1cccn1)N1CCOC[C@@H](Cc2cccc3ccncc23)C1 257208939 BODZLSMLFJADOE-FQEVSTJZSA-N 426.520 3.811 0 40 IHAB CCCCC(=O)N1CCC[C@@](COc2ccc(Cl)cc2)(CC(=O)N2CCOCC2)C1 257238066 HJLGLXYNZTYWOD-HSZRJFAPSA-N 436.980 3.767 0 40 IHAB CC(=O)N1CCC(Cc2ccccc2F)(C(=O)N2CCC[C@@H](c3cncc(C)n3)C2)CC1 257275542 NPVBVJYEAORZDR-OAQYLSRUSA-N 438.547 3.502 0 40 IHAB CCCC[C@@H](C(=O)OCC(=O)Nc1cccc(Cl)c1C)N1C(=O)c2ccccc2C1=O 408657178 GPBFKTJCRQLTCM-IBGZPJMESA-N 442.899 3.985 0 40 IHAB CCc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@H]4C3=O)cc2)cc1 408662903 OCFHDALRELPYHY-NPFVIJTESA-N 448.519 3.970 0 40 IHAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc(Br)c1OC(C)C 409132512 JXKFXBUVFRQDML-NTUHNPAUSA-N 444.303 3.756 0 40 IHAB CCOC(=O)c1ccc(NC(=O)Cn2nc(COc3ccc(C)cc3)oc2=S)cc1 409165623 AFUYPDOMINOWGZ-UHFFFAOYSA-N 427.482 3.908 0 40 IHAB CCc1ccc(OCc2nnc(SCC(=O)Nc3cccc(C(=O)OC)c3)o2)cc1 409332307 QDJAZFAMAGKYNG-UHFFFAOYSA-N 427.482 3.728 0 40 IHAB COC(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 409412070 QSYVIJCSZAGKCZ-CQSZACIVSA-N 438.933 3.537 0 40 IHAB Cc1cc(C)cc(-c2ccc(CC3(C(=O)N[C@@H]4CCS(=O)(=O)C4)CCOCC3)cc2)c1 585164879 XYLKIUQYPUNFDW-HSZRJFAPSA-N 441.593 3.613 0 40 IHAB COc1cccc(C(=O)Nc2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)cs2)c1 703708 PVYXCINASOACKL-UHFFFAOYSA-N 443.550 3.856 0 40 IHAB FC(F)(F)Oc1ccc(Nc2nc(NCc3ccccc3)nc(N3CCOCC3)n2)cc1 1087844 NRADJCONGQXGKN-UHFFFAOYSA-N 446.433 3.963 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 1363726 WPJGKWWKLKDWMP-HNNXBMFYSA-N 433.917 3.967 0 40 IHAB CC(=O)Nc1ccc(OS(=O)(=O)c2ccc(Br)cc2Br)cc1 2059033 RADATKMKNUSEJW-UHFFFAOYSA-N 449.120 3.938 0 40 IHAB CCn1nc(C(=O)OCC(=O)c2cc(C)n(Cc3cccs3)c2C)c2ccccc2c1=O 2617365 BMIGFBWWFBQMBL-UHFFFAOYSA-N 449.532 3.984 0 40 IHAB aggregator COCCn1c(C)cc(C(=O)CN2C(=O)N[C@](C)(c3ccc(C(C)(C)C)cc3)C2=O)c1C 2648181 IQBOPMADILUNLC-RUZDIDTESA-N 439.556 3.699 0 40 IHAB CCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)NCc2ccccc2)ccc1OC 3480483 IUTNJTYXESUBQH-UHFFFAOYSA-N 438.549 3.836 0 40 IHAB C[C@H]1CCCCN1[C@@H]1CC(=O)N(c2ccc(Br)cc2Br)C1=O 8443805 HPIUKAZXFXVOSS-IINYFYTJSA-N 430.140 3.718 0 40 IHAB Cc1cc2oc(C(=O)N(Cc3ccccc3)[C@@H]3CCS(=O)(=O)C3)cc(=O)c2cc1Cl 8670716 OGENFRZTSJHHEV-MRXNPFEDSA-N 445.924 3.584 0 40 IHAB CCCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(NC(=O)CC)cc3C)ccc21 8840589 WZIRSRGYFOGHPC-UHFFFAOYSA-N 429.542 3.834 0 40 IHAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)Cn1nnc3ccccc31)CC2 8899986 UBTFWYKQOQDATN-HSZRJFAPSA-N 434.521 3.684 0 40 IHAB COc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2ccc(C)c(Cl)c2)cc1 9236697 WWTMXZWPJKGCPG-MSOLQXFVSA-N 429.933 3.955 0 40 IHAB CCCn1c(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)nc2ccccc21 9245395 WUYKAMZHKHEUHL-HXUWFJFHSA-N 426.542 3.628 0 40 IHAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1 9365017 JGRFKVYMQHPVDN-MRXNPFEDSA-N 441.487 3.956 0 40 IHAB CCOC(=O)C[C@@H](NS(=O)(=O)c1cc(OCC)ccc1OCC)c1ccc(C)cc1 9489391 RNIAVFSNBKXXBK-LJQANCHMSA-N 435.542 3.765 0 40 IHAB C[C@]1(c2ccccc2Cl)NC(=O)N(CC(=O)N2CCC(Cc3ccccc3)CC2)C1=O 9545009 NBWMDJKQPSAQIU-XMMPIXPASA-N 439.943 3.588 0 40 IHAB COc1ccc(CN(C(=O)COc2ccc(C(C)(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 9556401 NJGHRYATHUBEDF-FQEVSTJZSA-N 445.581 3.587 0 40 IHAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c1C 9588263 VUFWYYWHRMKIFN-UHFFFAOYSA-N 442.468 3.645 0 40 IHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)c2c(C)noc2C)c1 9632183 VXXTWUAGWZAUSH-UHFFFAOYSA-N 429.498 3.768 0 40 IHAB COc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)cc1OC 9632623 XYLXTKBOZCIBNP-UHFFFAOYSA-N 432.542 3.829 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCc1ccccc1Cl 9872921 PVYIXRJPGKSXEJ-UHFFFAOYSA-N 436.961 3.843 0 40 IHAB CC[C@@H](Oc1ccccc1)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N(C)C 9956360 FMCNMUYZWPNFFI-OAQYLSRUSA-N 433.574 3.579 0 40 IHAB O=C(Nc1cccc(F)c1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 9974407 UQGMQQYKIADHSU-CYBMUJFWSA-N 441.322 3.628 0 40 IHAB Cc1c(C)n2c3c(=O)n(Cc4c(Cl)cccc4Cl)c(=O)n(C)c3nc2n1C(C)C 10101780 AZAPUJUUDAAIOA-UHFFFAOYSA-N 434.327 3.702 0 40 IHAB Cc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)Cc2cccc3ccccc23)n1 12006420 LXLVVNCHMUNTFC-UHFFFAOYSA-N 425.448 3.858 0 40 IHAB CN(CC(=O)NC(C)(C)C)Cn1nc(Nc2cccc(Br)c2)sc1=S 12551137 FHYYMHVEBDPINU-UHFFFAOYSA-N 444.424 3.984 0 40 IHAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)/N=c3/sc4ccccc4n3C)c2)C1 12563793 VCYFNNSPRMNOPI-YGGVXJTNSA-N 443.594 3.648 0 40 IHAB Cc1cccc(-c2nnc(S)n2CC(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)c1 12752451 VEQNZDNZJKJCFS-HNNXBMFYSA-N 442.614 3.869 0 40 IHAB O=C(Nc1ccc(-c2nnnn2C2CC2)cc1)c1cccc(I)c1 12770809 ZRONUBXHFUNVEK-UHFFFAOYSA-N 431.237 3.532 0 40 IHAB C[C@H](NC(=O)c1ccco1)C(=O)Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1 12773458 XWABUYMHJYNZTM-NSHDSACASA-N 439.415 3.983 0 40 IHAB COc1ccc(C(=O)Nc2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)cc1Br 12938551 QKQKBZSERXXBQW-VXGBXAGGSA-N 440.363 3.776 0 40 IHAB O=C(CCC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccc2c(c1)OCCCO2 13070579 LNIOJMLGMPYSBF-UHFFFAOYSA-N 428.916 3.813 0 40 IHAB COC(=O)c1ccc(Nc2nc(C(F)(F)F)nc3c2nnn3Cc2ccccc2)cc1 13086636 MNXZCSMJODKNGG-UHFFFAOYSA-N 428.374 3.819 0 40 IHAB COc1ccc(S(=O)(=O)NCCCc2cccc(C)c2)cc1C(=O)N1CCC(C)CC1 13649859 KKLFWPIRALGIHX-UHFFFAOYSA-N 444.597 3.787 0 40 IHAB CCN(Cc1ccc(OC)c(OC)c1)S(=O)(=O)c1cc(Br)ccc1C 14165965 PUNDDJOSNSFWKL-UHFFFAOYSA-N 428.348 3.986 0 40 IHAB Cc1nn(Cc2ncc(-c3ccccc3)o2)c(C)c1S(=O)(=O)N1CCc2ccccc21 14184232 FTDITDMLKXWXEH-UHFFFAOYSA-N 434.521 3.955 0 40 IHAB Cc1nc(N2CCC[C@H](C(=O)N3CCOCC3)C2)c2c(-c3cccs3)csc2n1 14190414 WRPDQCZHDVFBBZ-HNNXBMFYSA-N 428.583 3.803 0 40 IHAB O=C(C[C@H]1CCCCN1S(=O)(=O)c1cccs1)NCCc1ccc(Cl)cc1 15391313 TXDZRFYJLBXREJ-QGZVFWFLSA-N 426.991 3.694 0 40 IHAB CCOC(=O)N1CCN(C(=O)c2ccc(COc3cccc4c3OC(C)(C)C4)cc2)CC1 15881102 DOVXBOPCLLQPHQ-UHFFFAOYSA-N 438.524 3.893 0 40 IHAB COc1cccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OCO4)n2-n2cccc2)c1 15881980 IXFJQWNAVMMKIN-UHFFFAOYSA-N 449.492 3.526 0 40 IHAB O=C(CCNC(=O)c1ccc(Br)cc1)NC[C@H](c1ccccc1)N1CCCC1 16259341 OFHKKILOISJYKY-HXUWFJFHSA-N 444.373 3.522 0 40 IHAB CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(OCC(C)C)c(O)c2)NC(=S)N1 16734012 FAMSRBAGRLVRQY-OAQYLSRUSA-N 426.538 3.963 0 40 IHAB Cc1ccccc1-c1ncc(CN2C[C@@H](c3ccccn3)[C@@]3(CCCCC(=O)N3)C2)cn1 19237558 LIDZLWKVSAFKQW-BKMJKUGQSA-N 427.552 3.875 0 40 IHAB O=C(c1cccc(F)c1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CN(CC1CCCCC1)CC2 19293541 KHQJABSVCBTSBE-QFIPXVFZSA-N 438.547 3.825 0 40 IHAB C=Cn1ncc(CN2CCC(C[C@H]3CC(c4cccc(F)c4)=NO3)(C(=O)O)CC2)c1C 19554336 CHGQEEDTVJNRTL-HXUWFJFHSA-N 426.492 3.681 0 40 IHAB Cc1nn(C)cc1C(=O)N1CCC[C@@H](c2nc(N(C)C)ncc2-c2ccc(Cl)cc2)C1 19694059 OZIHIISXGIWLKH-QGZVFWFLSA-N 438.963 3.925 0 40 IHAB Cc1nc([C@@H]2CCCN2C(=O)c2scnc2C)ncc1C(=O)Nc1ccc(F)cc1 19755044 ZXWYTFASMXDVFW-KRWDZBQOSA-N 425.489 3.919 0 40 IHAB O=C(N[C@@]1(C(F)(F)F)N=C(c2ccccc2)N(Cc2ccco2)C1=O)c1ccccc1F 19939486 MLLIWGCWOZFWIH-NRFANRHFSA-N 445.372 3.896 0 40 IHAB CSCC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1ccccc1Cl 21873195 VKPWROFKYNDIHV-QGZVFWFLSA-N 447.409 3.710 0 40 IHAB COc1cccc2cc(C(=O)N3CCN([C@@H](C)c4nc5ccccc5s4)CC3)c(=O)oc12 23919425 VHBSETGWENZAKJ-HNNXBMFYSA-N 449.532 3.930 0 40 IHAB NS(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)cc1 27673178 AJPKUPZPVTZDSR-UHFFFAOYSA-N 442.884 3.685 0 40 IHAB COc1ccc(CSc2nnc(Nc3cccc(Br)c3)c(=O)n2C)cc1 28537231 QYJVFPBCHPPANE-UHFFFAOYSA-N 433.331 3.982 0 40 IHAB Cc1ccc2c(COC(=O)C3CCN(C(=O)OCC(F)(F)F)CC3)cc(=O)oc2c1 32869283 HNTWULZWLUQIQZ-UHFFFAOYSA-N 427.375 3.556 0 40 IHAB CCCCCN(Cn1c(=S)oc2ccc(S(=O)(=O)N3CCOCC3)cc21)C(C)C 32935419 IIAQLVLXZLCNAU-UHFFFAOYSA-N 441.619 3.843 0 40 IHAB COC(=O)c1ccc(NC(=O)c2sccc2N(C)S(=O)(=O)c2ccccc2)cc1 33141788 VYAGBHLNLBHYPI-UHFFFAOYSA-N 430.507 3.612 0 40 IHAB COc1ccc(OC)c(NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c1 33654280 GNAQZNAVPNXKKV-IBGZPJMESA-N 430.501 3.752 0 40 IHAB O=C1Oc2ccccc2[C@H]2c3sc(O)nc3S[C@@H](C(=O)Nc3ccc(F)cc3)[C@H]12 35074973 OTQVZPBQAZFKFV-RBSFLKMASA-N 428.466 3.768 0 40 IHAB COc1cc(OC)cc(-n2c(SCCN3CCCCC3)nnc2-c2cccnc2)c1 35313003 WMKKUWCNBZUWHS-UHFFFAOYSA-N 425.558 3.925 0 40 IHAB COc1ccc(Cn2c(=O)[nH]c3cc(-c4nc(-c5ccc(C)cc5)no4)ccc3c2=O)cc1 38655322 YHWSCTSFFXVLTJ-UHFFFAOYSA-N 440.459 3.772 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](CC(C)C)c3ccccc3)C2)cc1 38753703 ZMCCKURQSMBBIZ-NZQKXSOJSA-N 444.597 4.000 0 40 IHAB CS(=O)(=O)N[C@H]1CCCN(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)C1 48325346 AUJQKVQVORQULC-INIZCTEOSA-N 430.555 3.509 0 40 IHAB COc1ccc([C@@H]2CC(=O)N(c3ccc(F)cc3)c3c2sc(=O)n3C)c(OC)c1OC 49545908 RVMDXWXJYBYLNB-HNNXBMFYSA-N 444.484 3.812 0 40 IHAB CCOC(=O)c1ccc(N2CCCN(Cc3cc(=O)oc4cc(CC)ccc34)CC2)nc1 58156664 GLRGDCCETCROKQ-UHFFFAOYSA-N 435.524 3.639 0 40 IHAB Cc1ccc(S(=O)(=O)NCc2cccnc2OCC(F)(F)F)cc1C(F)(F)F 60321277 VDFBMFBJEVCDGS-UHFFFAOYSA-N 428.354 3.828 0 40 IHAB COC(=O)c1cc(OCC(=O)Nc2ccc(OC)c(Cl)c2)c2cc(OC)ccc2n1 65033180 CSXOEDQPJNHUKI-UHFFFAOYSA-N 430.844 3.710 0 40 IHAB COc1cccc(-n2c(=O)[nH]c3cc(-c4nc(-c5ccc(F)cc5)no4)ccc3c2=O)c1 67341544 GQXLDBSICDBKBT-UHFFFAOYSA-N 430.395 3.544 0 40 IHAB CCN(CC)[C@H](C(=O)NC[C@@H]1CN(CC(C)C)CCO1)c1cccc(C(F)(F)F)c1 72284268 KZISERCOKVKXSR-UXHICEINSA-N 429.527 3.561 0 40 IHAB CS(=O)(=O)c1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3c[nH]c4ccccc34)n2)cc1 72321992 JOGFSWCGYPUZHM-QFIPXVFZSA-N 436.537 3.535 0 40 IHAB biogenic,in-vitro Cc1nc(-c2ccc(S(=O)(=O)Nc3cc(Cl)ccc3N3CCOCC3)cc2)co1 78873632 QASXVXFNJBVEBN-UHFFFAOYSA-N 433.917 3.941 0 40 IHAB CCCCOc1ccc(N2C(=O)[C@H]3ON=C(c4ccc(Br)cc4)[C@@H]3C2=O)cc1 103140255 JMUHLGHJSMADLW-HKUYNNGSSA-N 443.297 3.921 0 40 IHAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 103505249 GDICJEDWBSWSJM-KQDGOKAWSA-N 440.543 3.741 0 40 IHAB COc1ccc(OC)c(N([C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)S(C)(=O)=O)c1 220216265 YINFEKICAGDCCR-INIZCTEOSA-N 434.558 3.929 0 40 IHAB Cc1ccc2c(c1)[C@@H](NC(=O)[C@H](C)N(c1cccc(F)c1)S(C)(=O)=O)CC(C)(C)O2 220488869 XPDVKCBBNIHNND-KXBFYZLASA-N 434.533 3.707 0 40 IHAB C[C@H](C(=O)NCc1ccncc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1 222852413 RQKMKXGBEIURSW-GOSISDBHSA-N 437.927 3.848 0 40 IHAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1OC 223586431 WFHPDZIZCNVOFS-HXUWFJFHSA-N 442.556 3.805 0 40 IHAB CC[C@@H](NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1)c1ccc(C)c(C)c1 225361594 FEARQVFLKLVEJJ-QGZVFWFLSA-N 430.555 3.837 0 40 IHAB COc1cccc(CC(=O)NC[C@H]2CC[C@H](c3ccnc4nc(C(F)(F)F)nn43)CC2)c1 257223925 DZOMPRKTPIWJFZ-KOMQPUFPSA-N 447.461 3.784 0 40 IHAB COc1ccc(-c2cncc([C@H]3CN(C(=O)c4ccc5c(c4)CCCN5C)CCO3)n2)cc1 257236300 HBNQIHIXPSVJGU-RUZDIDTESA-N 444.535 3.748 0 40 IHAB CC(=O)NC[C@H]1CC[C@H](c2c(C(=O)NCCN3CCCC3=O)sc3ccccc32)CC1 257341617 ZLCJIZMRIUSVMM-IYARVYRRSA-N 441.597 3.663 0 40 IHAB CCc1ccc(N([C@H](C)C(=O)Nc2ccccc2C(=O)N[C@H](C)CC)S(C)(=O)=O)cc1 260588100 FXCFYLGTDKWQKR-IAGOWNOFSA-N 445.585 3.571 0 40 IHAB Cc1cc(C)cc(N([C@H](C)C(=O)NCc2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1 260843176 OOSPHMOQDHEXIO-OAHLLOKOSA-N 428.476 3.793 0 40 IHAB CC[C@H](C)Oc1cccc(C(=O)Nc2cc(C(=O)OC)ccc2N2CCN(C)CC2)c1 408567387 DKYBHKFJQSFGLM-KRWDZBQOSA-N 425.529 3.655 0 40 IHAB Cc1cccc(C)c1NC(=O)COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 408651500 BCIRCDMBGFXIOQ-PEYKTXOXSA-N 446.503 3.634 0 40 IHAB CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)OCC(=O)c1ccc(F)cc1 409003782 UVZSSULWTPWXJD-IBGZPJMESA-N 431.460 3.662 0 40 IHAB CCc1cccc(C)c1NC(=O)CSc1nnc([C@H](C)NC(=O)c2ccccc2)n1C 409343792 GNPCBMZFDIFJLX-INIZCTEOSA-N 437.569 3.908 0 40 IHAB COc1ccc(S(=O)(=O)NCc2cccc(-c3nn(C)cc3-c3ccncc3C)c2)cc1 585166175 GVFSBJYLOVVDNH-UHFFFAOYSA-N 448.548 3.945 0 40 IHAB C[C@]12C[C@@H](c3ccc(F)cc3)N(C(=O)c3cccc(-n4cnnc4)c3)[C@H]1CCCCC(=O)N2 585261701 VUHYSMIVRKDGPP-HWBMXIPRSA-N 447.514 3.811 0 40 IHAB Cc1nn(C)c(C)c1/C=C/C(=O)N1CCC(Cc2cc(Nc3nccs3)ncn2)CC1 585293135 XWUWSVCHNSVJIQ-SNAWJCMRSA-N 437.573 3.522 0 40 IHAB COCCCn1c(C)cc(=O)c([C@@H](CC(=O)OC)c2ccc(-c3ccccc3)o2)c1O 1547205822 MOKRGAMWZZPAGD-SFHVURJKSA-N 425.481 3.854 0 40 IHAB COc1cccc(NC(=O)c2c(C(=O)Nc3ccccc3)sc3nc(C)cc(=O)n23)c1 1320927 FHKIRCBBLHMABN-UHFFFAOYSA-N 434.477 3.578 0 40 IHAB COC(=O)[C@H](C)Oc1ccc2c(-c3cc4cccc(OC)c4oc3=O)cc(=O)oc2c1C 2160801 NVACJIKHPZSPRQ-ZDUSSCGKSA-N 436.416 3.824 0 40 IHAB biogenic Cc1c(Cl)cccc1NC(=O)CSc1nnc(CCNC(=O)OC(C)(C)C)o1 2369548 GHKUFNACNMLVAG-UHFFFAOYSA-N 426.926 3.829 0 40 IHAB C[C@H]1Cc2ccccc2N1C(=O)CN(C)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 2629365 ISZDULHJZWDMBG-LBPRGKRZSA-N 446.878 3.957 0 40 IHAB COc1ccc(C(=O)NCc2ccc(F)cc2)cc1S(=O)(=O)N(C)Cc1ccccc1 2652964 RCMSZTKLJYGYLU-UHFFFAOYSA-N 442.512 3.585 0 40 IHAB C[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(OCc3ccccc3)cc2)C1=O 3309872 SYMUDEQQGWTNCZ-RUZDIDTESA-N 429.476 3.671 0 40 IHAB Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1 3350994 PATZLGOJZSWIMX-IBGZPJMESA-N 440.883 3.764 0 40 IHAB Cc1ccc(-n2nc3c(c2NC(=O)C24CC5CC(CC(C5)C2)C4)CS(=O)(=O)C3)cc1 4659392 VXPSKHCOGZRETE-UHFFFAOYSA-N 425.554 3.764 0 40 IHAB Cc1ccc2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=S)NCCc3ccccc3)cc2c1 6408272 KTNWAZIZJSWTIC-JOCHJYFZSA-N 435.593 3.935 0 40 IHAB CSc1nc(NCC(C)C)c2cnn(CCNC(=O)c3c(F)cccc3Cl)c2n1 8942538 HMPQJIRPQQJMJF-UHFFFAOYSA-N 436.944 3.839 0 40 IHAB Cc1c(NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)c(=O)n(-c2ccccc2)n1C 9063397 GRLJGIYQYSHHQX-UHFFFAOYSA-N 438.959 3.989 0 40 IHAB O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)Nc1cccc(Cl)c1 9227737 NEKZEFQRNAWBDG-UHFFFAOYSA-N 430.913 3.836 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)cc1 9254901 VXYSIBVNUPIOFJ-UHFFFAOYSA-N 446.613 3.571 0 40 IHAB O=C(CSc1nnc2c(Cl)cc(C(F)(F)F)cn12)NC(=O)NCc1ccccc1 9508063 SGWIGDQRYIIOFX-UHFFFAOYSA-N 443.838 3.520 0 40 IHAB O=C(C[C@]1(O)C(=O)N(CN2CCCCC2)c2ccccc21)c1cccc(Br)c1 9614536 JLHNBNFWJCDCSX-JOCHJYFZSA-N 443.341 3.700 0 40 IHAB CN(C)CCn1c2c(c(SCC(=O)Nc3cccc4ccccc34)nc1=O)CCCC2 9747406 JATDPSMEQAVFJO-UHFFFAOYSA-N 436.581 3.568 0 40 IHAB COC(=O)c1ccc(N2CCN(C(C)=O)CC2)c(NC(=O)c2ccc3ccccc3c2)c1 9892721 XXOSKHUNDZZOAM-UHFFFAOYSA-N 431.492 3.547 0 40 IHAB O=C(C[C@@H]1C(=O)N[C@@H]2CCCC[C@@H]2N1C(=O)c1cccs1)Nc1cccc(Cl)c1 9926944 KKQXCZFVLVJHQI-IXDOHACOSA-N 431.945 3.682 0 40 IHAB COC(=O)c1cccc(NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)c1 10295498 CZTONOYRIXATDT-UHFFFAOYSA-N 438.505 3.616 0 40 IHAB CCOC(=O)CN(C(=O)COC(=O)/C=C/c1ccc(Br)cc1)c1ccccc1 10886896 NBURGBPKARFKDT-JLHYYAGUSA-N 446.297 3.602 0 40 IHAB O=C(CSc1nnnn1C1CCCCC1)Nc1ccnn1Cc1ccccc1Cl 11579151 BSCIOAUKCCJBDG-UHFFFAOYSA-N 431.953 3.807 0 40 IHAB O=C(CSc1nnc(N2CCCC2)n1-c1cccc(Cl)c1)NCc1cccs1 12522501 TZMPAIVSZXGBCE-UHFFFAOYSA-N 433.990 3.991 0 40 IHAB Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)NCc2ccc(N3CCCC3=O)cc2)c1 12533444 RDCVTWZXXGRKAP-UHFFFAOYSA-N 449.580 3.728 0 40 IHAB CCOC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@H]1c1cccc(OC)c1 12554555 VUWRVFMJHZAURK-NRFANRHFSA-N 440.521 3.739 0 40 IHAB CC(=O)c1ccc(N2CCN(C(=O)COc3ccc(Cl)cc3C(C)=O)CC2)c(F)c1 12644728 IZGAEFQPLGJTKM-UHFFFAOYSA-N 432.879 3.612 0 40 IHAB O=C(Nc1ccc(N2CCCC2=O)cc1)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 12914917 YMLWNWQEIAZIIF-CQSZACIVSA-N 431.414 3.824 0 40 IHAB Cc1cccc(NC(=O)CNC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1C 12934736 IMAJCZGQGAKSBW-UHFFFAOYSA-N 427.932 3.564 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](c2ccccc2)c2cccs2)cc1C 13004222 QYOKBMUXURTTDB-QFIPXVFZSA-N 428.579 3.891 0 40 IHAB C[C@@H]1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)c2ccccc2S1 14184932 DUQBIAXHKUPLLR-JLCFBVMHSA-N 427.501 3.510 0 40 IHAB CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nc(=O)c3cnn(-c4ccc(C)cc4)c3[nH]2)cc1 14237104 AXQWDQKENWACAG-OAHLLOKOSA-N 447.520 3.739 0 40 IHAB O=C(c1ccc(Cl)s1)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 15938011 XBDUOTCLYFPDLV-UHFFFAOYSA-N 439.773 3.855 0 40 IHAB Cn1ccnc1[C@@H](NC(=O)C[C@H](NC(N)=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 16262136 JLEVCUGRYKXOCB-HKUYNNGSSA-N 446.338 3.732 0 40 IHAB Cc1ccc(C(C)C)c(OCC(=O)NC(=S)Nc2sc3c(c2C(N)=O)CCC3)c1 16291088 KAGXOVMZOBYUPH-UHFFFAOYSA-N 431.583 3.660 0 40 IHAB COc1ccc(Cl)cc1C(=O)NC(=S)Nc1sc2c(c1C(N)=O)CC[C@@H](C)C2 17101818 NOZAOZSZJXJGTN-SECBINFHSA-N 437.974 3.761 0 40 IHAB COc1ccc(C(=O)NC(=S)Nc2nc3ccc(O)cc3s2)cc1Br 17101926 QJCZHKQUOCQMKD-UHFFFAOYSA-N 438.328 3.900 0 40 IHAB Cc1ccc(C(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)CN(Cc2sccc2C)CC3)cc1 19135343 CLNQOWDAQQOORF-NRFANRHFSA-N 448.592 3.984 0 40 IHAB CC(C)c1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)CCn4cncn4)C3)noc2n1 19452020 NQAHCQUAHUKJAY-CYBMUJFWSA-N 436.438 3.753 0 40 IHAB COc1cc(C(=O)N2CCC(c3nc(NC4CC4)ncc3-c3ccncc3)CC2)ccn1 19550279 VMVJEKNQWAVWQO-UHFFFAOYSA-N 430.512 3.536 0 40 IHAB Cc1noc(-c2cnc(N(C)C)nc2-c2ccc(CNC(=O)c3ccncc3)cc2)c1C 19558683 RTDZHAUVROIZSH-UHFFFAOYSA-N 428.496 3.806 0 40 IHAB CNC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCCN(Cc2ccc(OC)cc2)C1 19591277 JDLPNWULZYBLLN-SANMLTNESA-N 430.552 3.723 0 40 IHAB Cc1ncc(CN(C)Cc2nc(C)c3c(n2)N(Cc2ccc(F)cc2)C(=O)CC3)s1 19698571 GBNGEYWVKKLOPB-UHFFFAOYSA-N 425.533 3.800 0 40 IHAB Cc1nc([C@H]2CCCCN2C(=O)c2cnn(C)c2)nc2c1CCCN2CCc1ccccc1 19706213 DXEDPLSVFIGNDX-HSZRJFAPSA-N 444.583 3.881 0 40 IHAB CNc1nc([C@@H]2CCCN(C(=O)c3cc(C4CCCCC4)no3)C2)nc2c1CCN(C)C2 19708798 ZSQVQSANFUAARO-QGZVFWFLSA-N 438.576 3.562 0 40 IHAB COc1cccc(CN2C(=O)CCc3c(C)nc([C@@H]4CCCN(C(=O)C(C)C)C4)nc32)c1 19739422 MSKMUEBVOJVLIV-LJQANCHMSA-N 436.556 3.635 0 40 IHAB Cc1nc([C@H]2CCCN2C(=O)c2ccccn2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 19740517 BVWAPVZLABYHNO-OAQYLSRUSA-N 445.498 3.776 0 40 IHAB Cc1nc([C@H]2CCCN(C(=O)Cc3cccc(F)c3)C2)ncc1C(=O)NCc1ccccc1 19764371 ANRBNKAWCYUFHX-NRFANRHFSA-N 446.526 3.803 0 40 IHAB COc1ccccc1NC(=O)c1cnc([C@@H]2CCN(C(=O)Cc3ccccc3F)C2)nc1C 19766081 ZSFISCOCXMJDEE-GOSISDBHSA-N 448.498 3.744 0 40 IHAB CC(C)c1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCN2CCOCC2)cc1 20307926 JXEGUWDQZNOSMR-QHCPKHFHSA-N 432.520 3.794 0 40 IHAB O=C(CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O)Nc1ccccc1C(F)(F)F 20794977 LDDOWSCPSBPMHW-OAQYLSRUSA-N 431.414 3.818 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccccc2NS(=O)(=O)c2ccc(F)cc2)s1 24070410 YDLIHICCRBSNEY-UHFFFAOYSA-N 426.516 3.797 0 40 IHAB C[C@@H](Cc1cccs1)N(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 24978192 DPKTWNXDAILQIN-INIZCTEOSA-N 442.562 3.901 0 40 IHAB COc1ccc(NC(=O)Cn2c(C)cc(-c3csc(C)n3)c2C)cc1NS(C)(=O)=O 25599983 LZRYGIZRAZOQMZ-UHFFFAOYSA-N 448.570 3.556 0 40 IHAB O=C(CN(Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccco1)NC(=O)Nc1ccccc1 27576247 ICTQPTKVAUNXTR-UHFFFAOYSA-N 446.507 3.522 0 40 IHAB COc1ccc2c(C)c(CCC(=O)Nc3cc(S(C)(=O)=O)ccc3Cl)c(=O)oc2c1 32491519 ZFIYNLFFCGMADQ-UHFFFAOYSA-N 449.912 3.738 0 40 IHAB CCc1cc2oc(=O)cc(COC(=O)C[C@H]3Oc4ccccc4NC3=O)c2cc1Cl 32719370 OAVLQPCKAWZMAT-LJQANCHMSA-N 427.840 3.842 0 40 IHAB CCOc1cc(Br)c(/C=C2/C(=O)N(Cc3ccco3)C(=O)N=C2O)cc1OC 35198514 FXELUYKFONSVAS-NTUHNPAUSA-N 449.257 3.952 0 40 IHAB COc1ccc(-c2cc(C(=O)NCc3ccccc3-n3cccn3)c3cnn(C)c3n2)cc1 36616574 GUTYDECPLKBQSZ-UHFFFAOYSA-N 438.491 3.760 0 40 IHAB Cc1ccc(-c2cc3c4nn(CC(=O)Nc5cc(F)ccc5C)c(=O)n4ccn3n2)cc1C 38487222 IDRBBSRPTOZHJL-UHFFFAOYSA-N 444.470 3.514 0 40 IHAB CN(C)S(=O)(=O)c1ccc(COc2ccccc2C(=O)Nc2cc(F)ccc2F)o1 38489255 SABMHBIPNANFRZ-UHFFFAOYSA-N 436.436 3.639 0 40 IHAB CCCCCNC(=O)C1CCN(C(=O)CSc2ncnc3sc(C)c(C)c23)CC1 40146728 ALKSCYYNJHROHU-UHFFFAOYSA-N 434.631 3.945 0 40 IHAB Cc1nc2ccc(NC(=O)N3CCC(NS(=O)(=O)c4ccc(F)cc4)CC3)cc2s1 48253964 MLEZWVBNQDOEQQ-UHFFFAOYSA-N 448.545 3.719 0 40 IHAB Cc1noc2nc(-c3ccccc3C(F)(F)F)cc(C(=O)NCC(=O)N3CCCC3)c12 48289203 HOMANZZSHQDEJW-UHFFFAOYSA-N 432.402 3.569 0 40 IHAB Cc1ccc(S(=O)(=O)NC[C@H]2CCCN([C@@H](C)c3nc(-c4cccs4)no3)C2)cc1 58305053 QBHFPDIZTXWYSJ-DLBZAZTESA-N 446.598 3.858 0 40 IHAB COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)c1 61526969 XCFRLGKBESBDEU-INIZCTEOSA-N 440.521 3.996 0 40 IHAB C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCN(c5cccc(Cl)c5)CC4)[C@H]3[C@H](O)[C@@]21C 61992822 HXHILYRRLVJUGI-UOXXKCJCSA-N 445.003 3.747 0 40 IHAB biogenic Cc1ccc([C@H](C)NC(=O)Cn2c(-c3cccc(Cl)c3)nc(C)c(CCO)c2=O)cc1 67316602 YGUTXWRBFWNNLV-INIZCTEOSA-N 439.943 3.593 0 40 IHAB Cc1cccc(C(=O)N[C@@H](C(=O)Nc2ccc(NC(=O)c3cnoc3C)cc2)C(C)C)c1 72272623 NHVWSFYHGFRXGM-OAQYLSRUSA-N 434.496 3.937 0 40 IHAB COc1ccc(CN2CCC(c3cc(O)nc(-c4ccncc4)n3)CC2)c(OC)c1OC 72392724 JFHFAUFWGWOWFI-UHFFFAOYSA-N 436.512 3.650 0 40 IHAB COc1ccc(CNC[C@H]2O[C@H](Cc3cc(COc4ccccc4)on3)CC[C@@H]2O)cc1 77262984 AHSOGQZHTBGHGG-ZKMPZPQNSA-N 438.524 3.503 0 40 IHAB biogenic,in-vitro C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@H]3C[C@@H]4[C@H](C[C@H](O)[C@H]5C[C@@H](O)CC[C@@]54C)[C@@H]3CC[C@H]1[C@]2(C)O 85885386 IUKLSMSEHKDIIP-PNRXBNBFSA-N 431.661 3.678 0 40 IHAB CCOc1cc(C=O)cc(I)c1OC(=O)c1ccc(OC)cc1 95470242 AUAAFNKFPWMAAW-UHFFFAOYSA-N 426.206 3.730 0 40 IHAB Cc1cnc(CNC(=O)c2cc3c(c4ccccc4n3CC3CC3)n2C(=O)N(C)C)cn1 96146514 SEAVZRDCUDXHAR-UHFFFAOYSA-N 430.512 3.564 0 40 IHAB COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@H]1C[C@H]3C(=O)N[C@@H](C)c1cccs1)NC2=O 100181766 SPXLXQRZNGVQNC-WBMYIQIWSA-N 426.538 3.889 0 40 IHAB Cc1ccc2c(c1)s/c(=N/C(=O)c1ccc(S(=O)(=O)N3CCCCCC3)cc1)n2C 100843402 DKNMSDYLROYZKL-GHVJWSGMSA-N 443.594 3.854 0 40 IHAB CCOC(=O)[C@@H](C(=O)CSc1nnc2sc3ccccc3n12)c1nc(C)cs1 103034762 PHLMOYVURVJQHY-AWEZNQCLSA-N 432.552 3.717 0 40 IHAB CC[C@H](C(=O)NCc1ccc(Cl)cc1Cl)N(c1ccccc1F)S(C)(=O)=O 220589636 LOXBOWRWOQAVSX-MRXNPFEDSA-N 433.332 3.994 0 40 IHAB CCOC(=O)c1cccc(NC(=O)CCCN(c2cccc(C)c2C)S(C)(=O)=O)c1 222635966 KDZNEKKBNOWKEM-UHFFFAOYSA-N 432.542 3.665 0 40 IHAB CC[C@@H](C(=O)NCCOc1cccc(C)c1C)N(c1cccc(Cl)c1)S(C)(=O)=O 223938517 SVNULZSONPCFMM-IBGZPJMESA-N 438.977 3.697 0 40 IHAB CCSc1nnc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)s1 223975464 IPFLUCRVVSITCG-UHFFFAOYSA-N 440.616 3.776 0 40 IHAB CCc1ccc(OCC(=O)N(Cc2ccc(OC)cc2)[C@H](C)C(=O)NCC(C)C)cc1 224475067 LGATXKZAQOZKSL-LJQANCHMSA-N 426.557 3.826 0 40 IHAB CC[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O 224972973 LFTNRSUGBUBAOK-QFIPXVFZSA-N 445.585 3.869 0 40 IHAB C[C@@H]1CCCCN1c1cc(N2CCCCCC2)nc(NC(=S)NC[C@@H]2CCCO2)n1 225908595 YNJGMJJXUBQITO-MSOLQXFVSA-N 432.638 3.701 0 40 IHAB COc1ccc(NC(=O)C2(C)COC(c3ccc(OC4CSC4)cc3)OC2)cc1OC 225922053 TTWDDYRJNTWAKD-UHFFFAOYSA-N 445.537 3.888 0 40 IHAB O=S(=O)(N[C@H](Cn1nccn1)c1ccccc1)c1ccc(Cl)c(C(F)(F)F)c1 238839111 HKUXDBFYYWADSE-MRXNPFEDSA-N 430.839 3.670 0 40 IHAB Cc1nc2cc([C@H]3CCN(C(=O)C4CC4)C3)nn2c(C)c1CCC(=O)Nc1ccccc1 257205770 BAMNDZUJQSLNSI-IBGZPJMESA-N 431.540 3.643 0 40 IHAB Cc1ccc(OCCCC(=O)N2CCO[C@H](c3ccc(Nc4cnccn4)cn3)C2)c(C)c1 257215461 CQEWEBUEIKULSJ-QHCPKHFHSA-N 447.539 3.991 0 40 IHAB Cc1cc(F)ccc1S(=O)(=O)N1CCC(c2cccc(Nc3cnccn3)n2)CC1 257265196 LXRPCNJZXIPRJN-UHFFFAOYSA-N 427.505 3.631 0 40 IHAB CCOc1ncccc1C(=O)N1CCNC(=O)[C@@H]1Cc1ccccc1-c1cccc(C)c1 257272219 NBMMBAIPKZVUTO-QHCPKHFHSA-N 429.520 3.639 0 40 IHAB CCc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)c2)cc1 408669561 WMIYSTIMOIFGDF-SFTDATJTSA-N 434.492 3.724 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)N[C@@H](C)CCc1ccccc1 408701473 YMGPKVCZYCHDPM-IBGZPJMESA-N 444.597 3.867 0 40 IHAB O=C(c1cccc(C(F)(F)F)c1)N1CCN(Cc2ccc(Br)cn2)CC1 506907142 BEMOMTIOTUJQLQ-UHFFFAOYSA-N 428.252 3.821 0 40 IHAB C[C@@H](NS(=O)(=O)c1cccs1)C(=O)Nc1nc2ccccc2n1C1CCCCC1 524030593 ATPPQUPZFFNFSQ-CQSZACIVSA-N 432.571 3.909 0 40 IHAB O=C(C[C@@H]1OC[C@H]2CN(Cc3ccc4c(c3)CCC4)CC[C@@H]12)NCc1cc(F)cc(F)c1 2056225151 FRSXETUBPIVLQU-SDUSCBPUSA-N 440.534 3.997 0 40 IHAB Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CCCCCC3)cc2c1 907722 CYSDYCYUDWMUHI-QHCPKHFHSA-N 446.530 3.976 0 40 IHAB Cc1ccc(NC(=O)COc2ncnc3c2cnn3-c2ccccc2)c(Br)c1 3318225 MTSMNNWPSMBQHQ-UHFFFAOYSA-N 438.285 3.904 0 40 IHAB COc1ccc(-c2nnc(SCc3nc4sc5c(c4c(=O)[nH]3)CCC5)o2)cc1OC 3416534 VHNBABMNHDMRHK-UHFFFAOYSA-N 442.522 3.833 0 40 IHAB COc1ccccc1-n1c(SCc2nc3ccsc3c(=O)[nH]2)nc2ccccc2c1=O 3458619 KSBRQQKIFASBMX-UHFFFAOYSA-N 448.529 3.985 0 40 IHAB C[C@@]12C=C[C@@](CNC(=O)OCc3ccccc3)(O1)C(Cl)(Cl)C(=O)C2(Cl)Cl 3851583 NIDKTDKFJVFEBV-GJZGRUSLSA-N 439.122 3.927 0 40 IHAB biogenic CCn1c(CSc2nc(C)cc(C)n2)nnc1SCC(=O)Nc1ccc(OC)cc1 6878366 HLDOCWGTJPDNKT-UHFFFAOYSA-N 444.586 3.737 0 40 IHAB COc1cc(CN2CCC(C(=O)NC[C@@H]3CCCO3)CC2)ccc1OCc1ccccc1 6906973 VXIUYMIGNBAROM-QHCPKHFHSA-N 438.568 3.781 0 40 IHAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)N(C)Cc2c(F)cccc2Cl)cc1 8945714 FIHSRXHCWKMJLM-AWEZNQCLSA-N 441.956 3.625 0 40 IHAB CC(C)(C)C(=O)[C@@H]1[C@H]2C(=O)N(C(C)(C)C)C(=O)[C@@H]2[C@H]2C=Cc3ccc4cccnc4c3N12 8990387 NSYYOCZKQDTUGG-WIRSXHRWSA-N 431.536 3.834 0 40 IHAB Cc1cc(C)c(O)c(-c2[nH]nc3c2[C@H](c2ccc(Br)cc2)N(CCO)C3=O)c1 9124036 AVWNQWTVIVPVJQ-IBGZPJMESA-N 442.313 3.699 0 40 IHAB COc1ccc(OC)c(NC(=O)[C@H]2C[C@@H]3CCCN3[C@]23C(=O)Nc2c(C)cc(C)cc23)c1 9130286 LLXSEQNQXCDXQL-WEVXLUSXSA-N 435.524 3.591 0 40 IHAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N1CCC(C(=O)N2CCCCC2)CC1 9156045 HJLSUZRBPZNWOR-UHFFFAOYSA-N 432.927 3.838 0 40 IHAB O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)N1CCC[C@@H]1c1nc2ccccc2s1 9256461 APCBZVXBBXNCGL-QGZVFWFLSA-N 449.985 3.982 0 40 IHAB C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)OCc1ccc(Br)cc1)C2=O 9591792 DAMMLSAOMKIECX-RBZFPXEDSA-N 437.334 3.629 0 40 IHAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccc(-c3cn4ccsc4n3)cc1)C2=O 9713868 AJVNPBYSLJBZCK-FPTDNZKUSA-N 437.525 3.502 0 40 IHAB COc1ccc(-c2noc(COC(=O)CSc3nc4ccccc4o3)n2)c(OC)c1 9960179 ODDWHKANFGRDMA-UHFFFAOYSA-N 427.438 3.731 0 40 IHAB COc1ccc(-c2csc(NC(=O)CCS(=O)(=O)c3ccc(OC)cc3)n2)cc1 10219465 BURMRQXQEYQSEP-UHFFFAOYSA-N 432.523 3.630 0 40 IHAB CCOc1cc(Br)c(CC(=O)O[C@@H](C(N)=O)c2ccccc2)cc1OCC 10904523 RYVJUVPMYVLVDK-LJQANCHMSA-N 436.302 3.559 0 40 IHAB CSc1ccc(NC(=O)CN2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)cc1 12555117 RMDHJXODPHAYKV-NRFANRHFSA-N 425.554 3.627 0 40 IHAB Cc1cc(-n2c(C)cc(C(=O)CSc3nnc(NC[C@H]4CCCO4)s3)c2C)no1 12582726 MJUVFFSNQPHIIL-CQSZACIVSA-N 433.559 3.808 0 40 IHAB CCN(CC)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=O)Nc1ccccc1 12710746 PRNHJVYATNYQCR-UHFFFAOYSA-N 436.512 3.633 0 40 IHAB CCc1ccc([C@@H](NC(=O)Nc2ccc(S(N)(=O)=O)cc2)c2cccc(F)c2)cc1 12765476 DVOXVSAXXAFMPB-OAQYLSRUSA-N 427.501 3.947 0 40 IHAB C[C@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)N(C)Cc1ccc(Br)cc1 12782196 BZBZCFVHHOGPSJ-LLVKDONJSA-N 436.375 3.557 0 40 IHAB COc1ccccc1[C@H](CNC(=O)[C@@H](NC(=O)c1ccc(C)cc1)C(C)C)N1CCCC1 12796113 AUKKKEDYFKMIKM-UPVQGACJSA-N 437.584 3.711 0 40 IHAB CCn1c(CN2CCCCCC2=O)nnc1S[C@@H](C)C(=O)Nc1ccc(C)c(F)c1 12807597 UNKOPNFFUOYNEQ-HNNXBMFYSA-N 433.553 3.767 0 40 IHAB Cc1cc(C)n(-c2ccccc2NC(=O)c2cc(C)c(C)c(S(=O)(=O)N(C)C)c2)n1 12974375 QHIWPQZAQHVNIH-UHFFFAOYSA-N 426.542 3.609 0 40 IHAB O=C(Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1)[C@H]1CCS(=O)(=O)C1 13001463 OLABGXPSEWQKLP-VIFPVBQESA-N 438.880 3.779 0 40 IHAB Cc1nc(N)n2c(SCC(=O)Nc3ccccc3Cl)nnc2c1Cc1ccccc1 13086580 YZVOERXCTVDICO-UHFFFAOYSA-N 438.944 3.990 0 40 IHAB CCn1c(CC(=O)Nc2cc(C)cc(C)c2)nnc1SCC(=O)N[C@H]1CCCC[C@@H]1C 13955980 WFWKNZLIKFWGFU-HKUYNNGSSA-N 443.617 3.883 0 40 IHAB COc1ccc(C(=O)Nc2cccc(Cl)c2N2CCN(C(=O)C(C)C)CC2)cc1OC 14000074 IRQSBBMHBNIGAT-UHFFFAOYSA-N 445.947 3.914 0 40 IHAB COC(=O)c1ccc([C@H]2CC(=O)Nc3c2cnn3-c2ccc(Br)cc2)cc1 14000910 FAGKTHIYBQYPLC-MRXNPFEDSA-N 426.270 3.896 0 40 IHAB COc1cc(S(=O)(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)ccc1NC(C)=O 14093869 DQHPLBCQNQRNLD-UHFFFAOYSA-N 442.522 3.831 0 40 IHAB O=C(NCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)c1ccc(N2CCCC2=O)cc1 14201713 BSJWLUWKCUJEAB-LJQANCHMSA-N 448.548 3.517 0 40 IHAB O=C1C[C@H](c2nc3ccccc3n2C[C@@H](O)COc2ccccc2)CN1c1ccccc1 16902946 RDJRWEXZNAMDGE-PZJWPPBQSA-N 427.504 3.997 0 40 IHAB CCOc1ncccc1C(=O)N1CCC[C@H]([C@H]2C[C@@H](C(F)(F)F)n3nc(C)cc3N2)C1 19531471 QAGADELTWCVKDV-UAGQMJEPSA-N 437.466 3.825 0 40 IHAB COc1cc(C(=O)N2CCO[C@@H](c3cc4cc(F)ccc4cn3)C2)cc(OC)c1OC 19549558 DMDGOLCORKQCBQ-OAQYLSRUSA-N 426.444 3.613 0 40 IHAB COc1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CCN(c3ccccc3)CC2)cc1 19553541 OKVQPIRTVQSAKV-VWLOTQADSA-N 440.551 3.642 0 40 IHAB CN(C)C(=O)[C@@]1(Cc2cccc(-c3ccc(F)cc3)c2)CCN(C(=O)Cc2cccnc2)C1 19580023 RUZNVDVJFLDMRF-HHHXNRCGSA-N 445.538 3.980 0 40 IHAB COc1ncc([C@]2(O)CCC[C@@H]3CN(Cc4ccc(C(F)(F)F)cc4)C[C@@H]32)c(OC)n1 19594829 UOMILIRNOLQPER-FYINFDKHSA-N 437.462 3.632 0 40 IHAB Cc1nc([C@@H]2CCCN(C(=O)COc3ccccc3)C2)ncc1C(=O)NCc1ccccc1 19765379 CNWHSTHUUHVXTR-OAQYLSRUSA-N 444.535 3.500 0 40 IHAB COc1ccc(-c2nn(CN3CCN(Cc4ccccc4)CC3)c(=S)o2)cc1OC 19815851 IVVDVBHGVUJJEH-UHFFFAOYSA-N 426.542 3.665 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CCCCCC1 20006731 YPYVGFDGHURZME-NRFANRHFSA-N 444.597 3.732 0 40 IHAB COC(=O)Cc1c(C)c2cc(Cl)c3c(c2oc1=O)CN(Cc1ccc(OC)cc1)CO3 20426588 HPUFVUHGOMKNFV-UHFFFAOYSA-N 443.883 3.831 0 40 IHAB COc1cccc(NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)c1 22273673 OZKUYQBLXWMHGS-UHFFFAOYSA-N 436.839 3.772 0 40 IHAB Cc1ccc([C@H](NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)c2cccs2)cc1 22328289 FPHLXIUSFHWRIX-YWZLYKJASA-N 432.542 3.768 0 40 IHAB CCCOc1ccc(N(CC(=O)Nc2cccc(Br)c2)S(C)(=O)=O)cc1 22380453 BBVWQJSRSIPLKS-UHFFFAOYSA-N 441.347 3.643 0 40 IHAB Cc1ccc(-n2cnnc2SCC(=O)NC2CCN(Cc3ccccc3)CC2)cc1C 22884107 LHETTYGMNOYBIV-UHFFFAOYSA-N 435.597 3.757 0 40 IHAB COc1ccc(F)cc1S(=O)(=O)NC[C@H](c1ccco1)N1CCc2ccccc2C1 22907242 OAEILHDWAOMALA-LJQANCHMSA-N 430.501 3.505 0 40 IHAB O=C(/C=C\c1ccc2c(c1)OCO2)N1CCN(Cc2nc(-c3cccs3)cs2)CC1 23137330 XLKSMUZSKBVYHZ-XQRVVYSFSA-N 439.562 3.958 0 40 IHAB CC(=O)c1cccc(NC(=O)CN2CCN(Cc3csc(-c4ccccc4)n3)CC2)c1 24985853 VCFWHPAKPRPGMI-UHFFFAOYSA-N 434.565 3.769 0 40 IHAB COc1ccccc1-n1nnnc1SC[C@H](O)Cn1c2ccccc2c2ccccc21 25110158 VQLLXAGQWSSTIP-MRXNPFEDSA-N 431.521 3.932 0 40 IHAB O=C(Nc1cccc(C2SCCCS2)c1)c1ccc(CN2C(=O)CNC2=O)cc1 28667221 XBMKNNJILVLNQK-UHFFFAOYSA-N 427.551 3.859 0 40 IHAB Cc1ccc(N2N=C(C(=O)Nc3ccc(NC(=O)Nc4ccccc4)cc3)NCC2=O)cc1 32945607 HCSGJPAWLFELLV-UHFFFAOYSA-N 442.479 3.527 0 40 IHAB CCc1ccc(-n2ncc3c(=O)n(Cc4nc(-c5ccc(SC)cc5)no4)cnc32)cc1 33293101 OEVDTSHTAUNHDW-UHFFFAOYSA-N 444.520 3.965 0 40 IHAB CCc1nnc(NC(=O)CSc2nc3cccnc3n2-c2ccccc2OC)s1 35289498 RTGAIROCBNIYEG-UHFFFAOYSA-N 426.527 3.574 0 40 IHAB CCc1ccc([C@H](C)NC(=O)CN2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1 40149619 LHKGYABLQQHGOD-LPHOPBHVSA-N 428.964 3.825 0 40 IHAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@@H](C)Oc1ccc2ccccc2c1 44884304 NYPWLUWASZSQCX-MRXNPFEDSA-N 442.537 3.941 0 40 IHAB O=C(NCc1ccc(N2CCCC[C@H]2CCO)nc1)c1cc(-c2cccc(Cl)c2)[nH]n1 48353967 ATYPGDYBARZHTP-IBGZPJMESA-N 439.947 3.796 0 40 IHAB O=c1c2sccc2n(Cc2nc(-c3ccccc3)no2)c(=O)n1-c1ccc(Cl)cc1 48985823 XEIGKIGKYNSOLE-UHFFFAOYSA-N 436.880 3.966 0 40 IHAB Cc1ccc2c(=O)c(C(=O)Nc3cccc(F)c3)cn(CC(=O)Nc3ccccc3F)c2n1 49002147 SNHZALPNGBJYSR-UHFFFAOYSA-N 448.429 3.874 0 40 IHAB Cc1cc2nn(CC(=O)Nc3ccc(F)cc3Cl)c(=O)n2c(Nc2ccc(F)cc2)n1 49410647 VIDBEOZQODHDRE-UHFFFAOYSA-N 444.829 3.513 0 40 IHAB Cc1cc(C)cc(-n2c(=O)c3sccc3n(CC(=O)Nc3cc(F)ccc3F)c2=O)c1 57492253 SBTUWVOGRKAAJD-UHFFFAOYSA-N 441.459 3.748 0 40 IHAB CSc1nc2ccc(NC(=O)NCc3ccc(N4CCCN(C)CC4)nc3)cc2s1 58168189 DYYFXAVOZRRPQB-UHFFFAOYSA-N 442.614 3.877 0 40 IHAB Cc1nn(-c2ccccc2)c(Cl)c1CS(=O)(=O)[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C 59744974 RVHGGEZLSNNUJZ-GMBSWORKSA-N 437.993 3.832 0 40 IHAB Cc1cccc(-c2noc(-c3cccnc3N3CCC(C(=O)NC[C@H]4CCCO4)CC3)n2)c1 65131019 FSPWHXDWVDIDJX-HXUWFJFHSA-N 447.539 3.619 0 40 IHAB Cc1cc2nc(SCC(=O)N[C@H]3CCc4ccccc43)n(Cc3ccco3)c(=O)c2[nH]1 67236587 BWLLHVCKEOTZAG-SFHVURJKSA-N 434.521 3.570 0 40 IHAB COc1ccc2c(ccn2CCC(=O)Nc2ccc(N3CCCCS3(=O)=O)cc2)c1 71282354 RQRSWPKXLVBNKM-UHFFFAOYSA-N 427.526 3.609 0 40 IHAB COc1cccc(NC(=O)Cn2nnc(C(=O)Nc3cc(Cl)ccc3Cl)c2C)c1 71327354 RDPYSBYBNQMEQJ-UHFFFAOYSA-N 434.283 3.793 0 40 IHAB CCn1cc(S(=O)(=O)N2CCC[C@@H]2c2cccc(Nc3ncc(C)s3)n2)c(C)n1 72375595 CHAPQIRCQJVWPZ-MRXNPFEDSA-N 432.575 3.641 0 40 IHAB CC[C@@H](NC(=O)CCc1c(C)nc(SC)nc1C)[C@H](c1ccc(C)cc1)n1cncn1 89941929 XCXLOXGFNSGXGW-IRLDBZIGSA-N 438.601 3.832 0 40 IHAB CC(C)c1nc(-c2ccc(N3CCN(C(=O)CSc4ccc(F)cc4)CC3)nc2)no1 90558861 CWCKJCTWTRIPMC-UHFFFAOYSA-N 441.532 3.835 0 40 IHAB O=C1CS[C@H](c2cc(Cl)c3c(c2)OCO3)c2c(O)nn(C3CCSCC3)c2N1 96118338 IEZWZHNIAUIPHV-MRXNPFEDSA-N 439.946 3.814 0 40 IHAB O=C(N[C@@H]1C[C@@H]2CC[C@@H]1C2)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 100093823 CZVLSYKJZKCMNO-YOZRSPHLSA-N 446.956 3.601 0 40 IHAB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1)c1ccc(Cl)cc1 100555671 QRAHNFQZHBZFJQ-SNHGZMDHSA-N 437.879 3.915 0 40 IHAB CC(=O)[C@H](C(=O)CCSCCO)[C@H](SCCO)c1ccc(Cl)c(Cl)c1 100917799 OERFCFONDQCMFC-IAGOWNOFSA-N 425.399 3.650 0 40 IHAB COc1ccc([C@@H]2c3ccc4ccccc4c3Oc3ncn(CCO)c(=N)c32)cc1OC 101175215 IQKLXXPMDIELJF-OAQYLSRUSA-N 429.476 3.811 0 40 IHAB CC(=O)Nc1ccc([C@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1 101249771 RDKFKJJETCYGCY-SGNDLWITSA-N 441.487 3.692 0 40 IHAB O=C1[C@@H]2[C@@H](c3ccc(Cl)cc3)N3CCCN3[C@H]2C(=O)N1c1cccc(Br)c1 102683380 OQJKGILEFIBHHE-KZNAEPCWSA-N 446.732 3.638 0 40 IHAB COc1ccc(CN(C)C(=O)[C@H](C)N(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 220424860 IEUWGXRJWDSGGU-ZDUSSCGKSA-N 445.368 3.815 0 40 IHAB CC(=O)c1cccc(NC(=O)[C@H](C)N(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c1 220433737 QOKRWWBDGKZRAG-NSHDSACASA-N 429.325 3.989 0 40 IHAB CC[C@@H](C(=O)N[C@@H](C)COc1ccc(C)cc1)N(c1cc(C)ccc1C)S(C)(=O)=O 220555320 HDSLQNYAQFNAAA-FPOVZHCZSA-N 432.586 3.740 0 40 IHAB COc1ccc(CNC(=O)CCCN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 222380877 YRXHWXHVGQBHDX-UHFFFAOYSA-N 445.368 3.865 0 40 IHAB COc1ccc(N(CCCC(=O)N2CCC(Cc3ccccc3)CC2)S(C)(=O)=O)cc1 222601215 MDHJYAPVCPWEDF-UHFFFAOYSA-N 444.597 3.723 0 40 IHAB COc1ccc2c(c1)CCC[C@@H]2NC(=O)CCCN(c1ccccc1F)S(C)(=O)=O 222985733 JOBHOAXMXXJQQI-FQEVSTJZSA-N 434.533 3.574 0 40 IHAB O=C(N[C@H]1C[C@@H]2CC[C@@H]1C2)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 223897726 CZVLSYKJZKCMNO-FJFUSWKQSA-N 446.956 3.601 0 40 IHAB CCN(c1ccc(I)cc1)S(=O)(=O)c1ccc(OC)c(C)c1 224641139 QMEYBIAAVGHAIJ-UHFFFAOYSA-N 431.295 3.823 0 40 IHAB CCc1ccc(OCCNC(=O)CCCN(c2cccc(C)c2C)S(C)(=O)=O)cc1 224743790 FWFYFGBDHVGADD-UHFFFAOYSA-N 432.586 3.607 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)NC[C@H](C)c1ccccc1 225136091 HFJLHGZTDXYIOD-IBGZPJMESA-N 444.597 3.722 0 40 IHAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCc1ccc(Cl)cc1Cl 225376346 OFBQTXNHQKNBSQ-UHFFFAOYSA-N 427.353 3.766 0 40 IHAB Cc1cc(C)nc(Nc2ccc(C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)cc2)n1 225913205 ZFIKNBLVBNHZLG-UHFFFAOYSA-N 439.541 3.648 0 40 IHAB Cc1cc2nccc([C@H]3CC[C@H](CNC(=O)Cc4ccc5c(c4)OCCCO5)CC3)n2n1 257206234 BCNDOENFFRQJTI-KESTWPANSA-N 434.540 3.832 0 40 IHAB CC(=O)N1CCN(CC(=O)Nc2ccc3nc(C)[nH]c3c2)[C@H](c2ccc(OC(C)C)cc2)C1 257260054 LBDULVOVYGSMKH-DEOSSOPVSA-N 449.555 3.502 0 40 IHAB CNC(=O)c1[nH]c([C@H]2CC[C@H](CNC(=O)c3ccccn3)CC2)nc1-c1ccc(OC)cc1 257289073 PWWXCUWMOVYPGH-SAABIXHNSA-N 447.539 3.544 0 40 IHAB CCCc1cc(Nc2ncc(C)s2)nc(C2CCN(C(=O)[C@]3(C)CCCN3)CC2)n1 257305649 SQWNCHMHDUATIX-QFIPXVFZSA-N 428.606 3.786 0 40 IHAB O=C1CO[C@@]2(CCN(C(=O)C3(c4ccc(Cl)cc4)CCC3)C2)CN1c1ccc(F)cc1 257329219 XIZIBGZKTORKQR-HSZRJFAPSA-N 442.918 3.935 0 40 IHAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(OC)c(Cl)c2)cc1Cl 408600678 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434.290 3.721 0 40 IHAB O=C(c1ccnc(C(F)(F)F)c1)N1CCC[C@@]2(CCN2c2ccc3nccnc3c2)C1 585101807 HLVODKIVABVYML-OAQYLSRUSA-N 427.430 3.929 0 40 IHAB O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)NC(=O)NCc1ccccc1 2627310 DXRGLXRWJKUERU-UHFFFAOYSA-N 429.432 3.678 0 40 IHAB CCn1c(SCC(=O)Nc2nc3ccc(C)cc3s2)nc2c(c1=O)S[C@@H](C)C2 4436681 CIRBSGKDXMXVRN-NSHDSACASA-N 432.596 3.949 0 40 IHAB aggregator CCn1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1cccc2ccccc12 6878435 VDTRYBYSVFHOLB-UHFFFAOYSA-N 435.509 3.705 0 40 IHAB CCCCN1C(SCC(=O)NCc2ccc(F)cc2)=NS(=O)(=O)c2ccccc21 8768855 LNYPKFTXAKWQML-UHFFFAOYSA-N 435.546 3.540 0 40 IHAB O=C(COC(=O)COc1c(F)c(F)cc(F)c1F)Nc1ccc(Br)cc1 8915895 COBKGNFBDFCJEU-UHFFFAOYSA-N 436.155 3.566 0 40 IHAB O=C(NCCNS(=O)(=O)c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 9355908 ZGXZRXJBDRMCIH-UHFFFAOYSA-N 431.517 3.610 0 40 IHAB COc1ccc(NC(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cc1Cl 9377621 LMKFIZDRAGHUJF-UHFFFAOYSA-N 441.900 3.502 0 40 IHAB Cc1ccc(CN(C(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)[C@H]2CCS(=O)(=O)C2)o1 9431353 DKZZBVKHPOLIBC-IRXDYDNUSA-N 439.961 3.841 0 40 IHAB CN(Cc1cccs1)C(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 9468206 RFLGEVYOWACEJE-UHFFFAOYSA-N 444.534 3.592 0 40 IHAB C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)N(c2ccccc2)C2CCCCC2)C1=O 9548999 XKFOUWCOXVSQRY-RUZDIDTESA-N 449.507 3.548 0 40 IHAB Cc1cc(C(=O)COC(=O)C[C@@H]2Sc3ccccc3NC2=O)c(C)n1Cc1ccco1 9562304 MTMGYKIPWJTBRW-NRFANRHFSA-N 438.505 3.975 0 40 IHAB COCCCNC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1 9570576 BTSHQPAYNAFFOF-UHFFFAOYSA-N 430.961 3.756 0 40 IHAB Cc1ccc(NC(=O)CN(C)C(=O)CSc2nnc(-c3cccc(Cl)c3)o2)cc1 9643458 XJZAJHLOPGSETB-UHFFFAOYSA-N 430.917 3.888 0 40 IHAB O=C(Cc1csc(COc2ccc(F)cc2)n1)OCCCn1c(=O)[nH]c2ccccc21 10754785 ALEAMHFPQPXSLF-UHFFFAOYSA-N 441.484 3.680 0 40 IHAB CC1(C)CC(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)CC(C)(C)N1 10815268 KEHWAFHDNXUBRH-UHFFFAOYSA-N 442.025 3.554 0 40 IHAB O=C(OCC(=O)N1CCc2sccc2C1)c1cc(-c2ccco2)nn1-c1ccccc1 11169229 DXSXGVMTMHAQEY-UHFFFAOYSA-N 433.489 3.936 0 40 IHAB Cc1cc(C)n(C[C@@H](C)C(=O)N2CCC[C@@H](n3nnc4cc(C(F)(F)F)ccc43)C2)n1 12184961 WFOKRNACKKQKFU-CXAGYDPISA-N 434.466 3.763 0 40 IHAB COc1ccc(-n2ccnc2SCC(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1 12556799 LTOTVZZNCKGGAH-UHFFFAOYSA-N 440.916 3.846 0 40 IHAB CCOC(=O)c1c(NC(=O)Cc2cccc3ccccc23)sc2c1CCS(=O)(=O)C2 12582408 WGAFXUZDVYMAOS-UHFFFAOYSA-N 443.546 3.730 0 40 IHAB COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N(C)Cc1ccccc1N1CCOCC1 12606240 BIQQGRVKJPPFGV-KRWDZBQOSA-N 431.964 3.953 0 40 IHAB COc1ccc(-c2cnnn2-c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1OC 12616756 AKKFBVMMALRIDP-UHFFFAOYSA-N 426.432 3.752 0 40 IHAB Cc1ccc([C@@H](C)NC(=O)CN2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1C 12752843 RXUYJHAHMDPORI-LJQANCHMSA-N 436.552 3.847 0 40 IHAB C[C@H](OC(=O)Cc1ccc(N2CCCC2=O)cc1)C(=O)Nc1ccccc1OC(F)F 12847251 OMJMAHXNYBFHDH-AWEZNQCLSA-N 432.423 3.528 0 40 IHAB COc1ccc(Br)cc1CN(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C 12860234 FKZBRUQMLRWVDG-CQSZACIVSA-N 446.345 3.653 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)[C@H]1CC=CC[C@H]1C(=O)O 12926794 SDWGBSQMFXTECB-ZWKOTPCHSA-N 434.901 3.746 0 40 IHAB COc1cc(C)c(CN2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1OC 13056301 JIZJRNTYUVKVKA-UHFFFAOYSA-N 446.613 3.816 0 40 IHAB O=C(CSc1ncccc1C(=O)N1CCc2ccccc2C1)Nc1ccc2c(c1)OCO2 13131075 OZPAJXHIWLCINL-UHFFFAOYSA-N 447.516 3.740 0 40 IHAB COc1ccccc1[C@@H](c1nnnn1Cc1ccccc1)N1CCN(c2ccccc2)CC1 13504651 MVFMXIYEQWCFLR-VWLOTQADSA-N 440.551 3.642 0 40 IHAB NS(=O)(=O)c1ccc(CCNC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)cc1 15590214 XVBIWPSHPTXGMF-UHFFFAOYSA-N 449.507 3.661 0 40 IHAB Cc1ccc2oc(C(=O)N(Cc3ccc(Cl)cc3)[C@H]3CCS(=O)(=O)C3)cc(=O)c2c1 15831132 KGBCVIRPZPMSAS-KRWDZBQOSA-N 445.924 3.584 0 40 IHAB Cc1ccc(C)c(OCc2nnc(SCC(=O)c3c[nH]c(C(=O)N4CCCC4)c3)o2)c1 16684113 IUEXXBJEUHPDNT-UHFFFAOYSA-N 440.525 3.805 0 40 IHAB Cc1ccc2c(c1)c1ncn(Cc3ccccc3)c(=O)c1n2CC(=O)NCc1ccco1 16841522 NLKMRZFOMICMMM-UHFFFAOYSA-N 426.476 3.617 0 40 IHAB Cc1cccc(-c2nc3scc(CCNS(=O)(=O)c4ccc(F)c(C)c4)n3n2)c1 17135552 OAKQUUGXECQOJA-UHFFFAOYSA-N 430.530 3.735 0 40 IHAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1cccc(NS(=O)(=O)c2ccccc2)c1 18104844 JMDZBMSRBOHJIQ-UHFFFAOYSA-N 435.505 3.867 0 40 IHAB CC(C)c1cc(C(=O)NC2CCN(Cc3cc(-c4ccccc4F)nn3C)CC2)on1 19453023 AHVCOQIQECMWOJ-UHFFFAOYSA-N 425.508 3.732 0 40 IHAB O=C(CCOc1cccc(F)c1)N1CCO[C@@H](c2nccnc2-c2cccc(F)c2)C1 19693304 JNBUHQBFNWQOLR-HXUWFJFHSA-N 425.435 3.791 0 40 IHAB COc1cc(C(=O)Nc2ccc3c(c2)N(C(=O)c2cccnc2)CCC3)cc(OC)c1OC 19819161 QXURRQTZDLFQKZ-UHFFFAOYSA-N 447.491 3.953 0 40 IHAB COc1ccccc1CN(C)C(=O)CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O 20035389 AWYNGYVNACYIHC-UHFFFAOYSA-N 440.496 3.669 0 40 IHAB O=C(NCCSC1CCCCC1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 20061866 DWOHVJAZMBHIGF-UHFFFAOYSA-N 431.023 3.920 0 40 IHAB Cc1c(N(Cc2ccc(Cl)cc2Cl)S(C)(=O)=O)c(=O)n(-c2ccccc2)n1C 20567998 BHZQSNGKCQYBDC-UHFFFAOYSA-N 440.352 3.757 0 40 IHAB O=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)C1=C(c2ccccc2)SCCO1 20738249 RKFYGOHYQOXFET-HXUWFJFHSA-N 444.984 3.962 0 40 IHAB COc1ccc(CN(C)C(=O)CCCN(c2cc(C)ccc2C)S(C)(=O)=O)cc1OC 22512137 GFWVMUMHXDXQOK-UHFFFAOYSA-N 448.585 3.525 0 40 IHAB CCCCNS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2ccc(F)cc2)c(Cl)c1 22537561 LZTKVJZCVVXQLU-CQSZACIVSA-N 442.940 3.814 0 40 IHAB CCN(CC)[C@H](CNC(=O)C[C@H]1Sc2ccccc2NC1=O)c1cccc(OC)c1 22700922 DBCOHNAFJVEPFS-TZIWHRDSSA-N 427.570 3.697 0 40 IHAB COc1ccc(CN2CCN(CC(=O)N3CC[C@@H](C)Sc4ccccc43)CC2)cc1F 22784157 ZDUGQCBEKXHFNY-GOSISDBHSA-N 443.588 3.869 0 40 IHAB O=C(NCCSc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 23694823 GTSMZXAYRJQBCO-MRXNPFEDSA-N 439.002 3.649 0 40 IHAB COc1ccccc1OCC(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCC2 27663160 ODPUOPJZIZVPEG-UHFFFAOYSA-N 426.494 3.786 0 40 IHAB CCOC(=O)c1c(CN2CCC(C(=O)NCC(F)(F)F)CC2)nc2ccccc2c1C 27782467 GRXKGROPCDXUGX-UHFFFAOYSA-N 437.462 3.610 0 40 IHAB O=C(NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1c(F)cccc1F 29155544 JVRYEECTSNGSLZ-UHFFFAOYSA-N 427.417 3.926 0 40 IHAB Cc1nc(NC(=O)c2cccnc2SCc2c(C)noc2C)sc1SCC(N)=O 31797590 DMDDYJFKHTXEIW-UHFFFAOYSA-N 449.583 3.573 0 40 IHAB COc1ccc([C@@H]2CCCN2C(=O)CCn2cnc3sc(C)c(C)c3c2=O)c(OC)c1 32898867 IDZMDHXPICUXME-SFHVURJKSA-N 441.553 3.846 0 40 IHAB CCc1nnc(NC(=O)C2(NC(=O)c3ccc(Br)cc3)CCCCC2)s1 32926045 ZCRRGXNALZRRMA-UHFFFAOYSA-N 437.363 3.934 0 40 IHAB O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)c1ccc2c(=O)n3c(nc2c1)CCC3 32988513 OPLORMVTQYYCKP-NRFANRHFSA-N 436.943 3.563 0 40 IHAB O=C1C2[C@@H](c3cccnc3)N[C@@H](c3cccnc3)C1[C@@H](c1cccnc1)N[C@H]2c1cccnc1 35406260 LDJCBJLZNMUUBF-MOOZEWOMSA-N 448.530 3.540 0 40 IHAB Cc1ccc(CN(CCc2ccccc2)C(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)s1 36398213 HGUPUJBGVHONPL-UHFFFAOYSA-N 447.560 3.721 0 40 IHAB Cc1cc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)c2cnn(-c3ccccc3F)c2n1 36616825 BMWXZUHGZYEKFT-UHFFFAOYSA-N 447.489 3.965 0 40 IHAB O=C1COc2cc(NC(=O)c3ccc(I)cc3)c(Cl)cc2N1 40081544 ZQCHOJKWJKSBGL-UHFFFAOYSA-N 428.613 3.528 0 40 IHAB Cc1ccc(Cn2nc(C)c(/C=C/C(=O)N[C@H](C(=O)N(C)C)c3ccccc3)c2C)cc1 40155260 JWVAWQXDPCKJDG-DACFSCGWSA-N 430.552 3.816 0 40 IHAB COc1ccccc1/C=C1\SC(=O)N(CCC(=O)Nc2ccc3nccnc3c2)C1=O 54361010 ZFIQFGJNLKRCKX-UNOMPAQXSA-N 434.477 3.704 0 40 IHAB Cc1cc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc(F)cc3F)c2=O)ccc1F 57494448 OZQPJWPKCXGIOH-UHFFFAOYSA-N 445.422 3.578 0 40 IHAB CCOc1ncc([C@@]2(O)CC[C@@H]3CN(Cc4cccc(OC(C)C)c4)C[C@@H]32)c(OCC)n1 57773896 GDZNPJKSHQYXBX-WPWBMXPQSA-N 441.572 3.791 0 40 IHAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cc(Br)ccc2Cl)c1 68734691 DIYAJXJENJOZJJ-UHFFFAOYSA-N 426.650 3.928 0 40 IHAB O=c1[nH]c2ccc(N(Cc3ccccc3)S(=O)(=O)c3cccc4cccnc34)cc2[nH]1 72301103 SVDZHAOLYICNTL-UHFFFAOYSA-N 430.489 3.800 0 40 IHAB CCn1ncc(CN2CCC[C@H]([C@H](NC(=O)c3ccccc3OC)c3ccccn3)C2)c1C 72330540 ZMWMGFAFRVEDCI-CPJSRVTESA-N 447.583 3.998 0 40 IHAB CC(C)(C)C(=O)N1CCC(c2nnc([C@H]3CCCCN3C(=O)c3ccccn3)o2)CC1 72344866 CXZHKKBUSVHQPZ-GOSISDBHSA-N 425.533 3.584 0 40 IHAB Cc1ccc([C@@H](CNc2cc(Cn3c(C)nc4ccccc4c3=O)nc(C)n2)N(C)C)cc1 72373244 KAKQLCOSBVGRNJ-XMMPIXPASA-N 442.567 3.875 0 40 IHAB Cc1ccc(N2C[C@H](C(=O)NCCc3nc(C4CC4)cc(C(F)(F)F)n3)CC2=O)cc1C 77101170 HULCAWNGEBDZLT-MRXNPFEDSA-N 446.473 3.701 0 40 IHAB C[C@H](NS(=O)(=O)c1ccc2oc(=O)ccc2c1)c1noc(-c2ccc(Cl)cc2)n1 79044769 FPKFVPUOVVLARO-NSHDSACASA-N 431.857 3.536 0 40 IHAB O=C(CNC1(c2cccc(Br)c2)CCOCC1)N1CCC[C@H](C(F)(F)F)C1 84363485 ZNMOMVACSLELCQ-HNNXBMFYSA-N 449.311 3.845 0 40 IHAB COc1c(CNC(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)c(C)nn1C 95469326 SEOVURQNQHWAHH-UHFFFAOYSA-N 425.876 3.766 0 40 IHAB CCCC(=O)OCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@H]1Cc1ccccc1Cl 95705316 VIDNIPPIRMVWBT-MRXNPFEDSA-N 435.904 3.667 0 40 IHAB COc1cc(Cl)c(C)cc1NC(=O)COC(=O)C12C[C@H]3C[C@@H](CC(NC(C)=O)(C3)C1)C2 102447756 GDQZGLUOWMGXAV-SNTCSEMISA-N 448.947 3.614 0 40 IHAB COc1cccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@H]4CC[C@H](C)C[C@H]4C3=O)c2)c1 102530909 BOFQNRMVJLPPBU-ONGXBYRLSA-N 435.476 3.661 0 40 IHAB COc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Br)cc2C)cc1 139127647 VMFDEVMQLWMMBK-UHFFFAOYSA-N 449.301 3.667 0 40 IHAB CCOC[C@@]1(C(N)=S)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 217925268 NXTBSGNZEXXYDM-ZIFCJYIRSA-N 427.950 3.728 0 40 IHAB CC[C@@H](C(=O)N[C@H](C)COc1ccccc1C)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220582870 XMMUPNBLFXBZRM-CTNGQTDRSA-N 432.586 3.740 0 40 IHAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1cccc(C)c1 222537624 JRUBNANIRGOHCX-XMMPIXPASA-N 434.511 3.899 0 40 IHAB COc1ccc(-c2noc(CN(C)C(=O)[C@@H]3CCCN(Cc4ccc(F)cc4)C3)n2)cc1 222601289 YFORRCQAVOMWHD-LJQANCHMSA-N 438.503 3.755 0 40 IHAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 223832529 FRFUFUHAGNSBSG-WOJBJXKFSA-N 446.569 3.658 0 40 IHAB COc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1C(=O)NC(C)(C)C 224275733 WQYFBSMPDOHOLZ-UHFFFAOYSA-N 441.347 3.787 0 40 IHAB CS(=O)(=O)N(Cc1ccc(C(=O)NCCc2ccc(F)cc2)cc1)c1ccc(F)cc1 224756557 CCSRRROTKPUYGB-UHFFFAOYSA-N 444.503 3.904 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2)cc1 225738871 BDGHQQQUFKCSQW-UHFFFAOYSA-N 426.519 3.921 0 40 IHAB COc1ccc(CN(C)C(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1 225996057 GFYZCCKMKVMAOP-UHFFFAOYSA-N 438.549 3.545 0 40 IHAB CCC[C@]1(C(=O)OCC)N[C@H](c2ccc(C)cc2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 245229554 ASKYGVKMRJNGRU-SRCYTUNASA-N 434.536 3.856 0 40 IHAB C[C@@H]1CC[C@@H]2N(C[C@@H]3[C@H](CC[C@H]4[C@@H]5CC(=O)[C@H]6C[C@@H](O)CC[C@@]6(C)[C@H]5C[C@H]43)[C@]2(C)O)C1 252460861 IQDIERHFZVCNRZ-AIFFWVRWSA-N 429.645 3.886 0 40 IHAB biogenic CCCN1CCN(C(=O)C2CCC(OC)CC2)[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O 257317136 VINKGRPHLQXCDE-STEQJIOHSA-N 449.595 3.946 0 40 IHAB Cc1cccc(CN2C[C@@H](c3ccnn3C)[C@@]3(CCCN(Cc4ccccc4)C3=O)C2)n1 306145079 ZXEDHUGMTUXHGY-JYFHCDHNSA-N 429.568 3.532 0 40 IHAB O=C(Cc1cccc(C(F)(F)F)c1)N1CC[C@@H](c2ccccc2F)S(=O)(=O)CC1 390830021 IEZWJXDQVVSUHW-SFHVURJKSA-N 429.435 3.775 0 40 IHAB COC[C@@H](C)NC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 408625277 RRTCSYDLNVPGRO-LJQANCHMSA-N 438.549 3.847 0 40 IHAB CCCCCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)c3ccccc3)CC2=O)cc1 408638014 PQFGVYFYJUNNCO-HXUWFJFHSA-N 437.492 3.813 0 40 IHAB COc1ccc(-n2c(SCC(=O)NCC(C)C)nc3sc(C)c(C)c3c2=O)cc1 409202844 TWIYNSOSTKURKP-UHFFFAOYSA-N 431.583 3.937 0 40 IHAB Cc1ccc(N2C(=O)[C@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)C2=O)c(C)c1 409297585 KZLSIMAQLUPHJJ-FGZHOGPDSA-N 443.455 3.628 0 40 IHAB COCCn1cc2c(n1)[C@@H](NC(=O)c1cnn(-c3ccc(C(F)(F)F)cc3)c1)CCC2 514621111 IIYVVZWFVJQJNR-SFHVURJKSA-N 433.434 3.541 0 40 IHAB O=C(c1ccccc1)N1CC[C@H](C(=O)N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)C1 1521024651 UHRRCJPQMNECPP-AZUAARDMSA-N 432.442 3.768 0 40 IHAB COCCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)Cn2c1nc1ccccc12 1548338272 XVBDWCNBFZVGMU-ZDUSSCGKSA-N 447.322 3.981 0 40 IHAB CCOc1ccc(N(CC(=O)NCc2ccco2)S(=O)(=O)c2ccc(Cl)cc2)cc1 869500 QJKYEQQZAANDOQ-UHFFFAOYSA-N 448.928 3.843 0 40 IHAB COc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)S(=O)(=O)c3ccccc3)cc2c1 918410 XMPWGFMCSIWSSQ-UHFFFAOYSA-N 448.544 3.970 0 40 IHAB Cc1cc(C(F)(F)F)nn1C[C@@H](C)c1nc2c3cnn(-c4ccccc4)c3ncn2n1 2804459 ZTKWQFSILYUOLC-GFCCVEGCSA-N 426.406 3.791 0 40 IHAB O=C(COC(=O)c1ccccc1OCc1ccccc1)Nc1ccc(N2CCOCC2)cc1 3253804 GQRNJZNCOPXJIF-UHFFFAOYSA-N 446.503 3.898 0 40 IHAB Cc1cc(I)ccc1NC(=O)COC(=O)[C@@]1(C)CC1(Cl)Cl 3275776 WKBZLFJMKJLXAR-CYBMUJFWSA-N 442.080 3.665 0 40 IHAB O=C(Cn1cnc2ccc(Br)cc2c1=O)N1CCC(Cc2ccccc2)CC1 3298792 OBQHUDNNPNASIH-UHFFFAOYSA-N 440.341 3.640 0 40 IHAB Cc1ccc(C(=O)N2CCN(c3ccc(NC(=S)NC(=O)CC(C)C)cc3)CC2)cc1 4122867 VLIVODSXLRKGGD-UHFFFAOYSA-N 438.597 3.817 0 40 IHAB CCOC(=O)c1c(C)oc2c1c1c(c3ccccc32)OCN(CCCN2CCOCC2)C1 4162566 IHHXCMRSFQDHDV-UHFFFAOYSA-N 438.524 3.945 0 40 IHAB Cc1ccc(-n2nnnc2SCC(=O)c2cc(C)n(C[C@@H]3CCCO3)c2C)c(C)c1 5414193 DHIBAMCLMCAXEV-SFHVURJKSA-N 425.558 3.851 0 40 IHAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1 6088859 ISGRWLUFUIHWOT-OAHLLOKOSA-N 431.539 3.967 0 40 IHAB COc1ccc(OC)c(NCN2C(=O)S/C(=C/c3ccc(OC)cc3OC)C2=O)c1 8694839 YFXJUZCCPFHODZ-DJKKODMXSA-N 430.482 3.827 0 40 IHAB O=c1c2ccccc2nc(SCCOc2ccc(Br)cc2)n1CCCO 8705434 DHYDJXRAPGMVGS-UHFFFAOYSA-N 435.343 3.713 0 40 IHAB COc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)/C=C/c1ccc2c(c1)OCO2 8709219 KJOIWAXVOBTTMB-PKNBQFBNSA-N 434.448 3.698 0 40 IHAB COc1ccc(-c2cc(=O)oc3cc(OCC(=O)NC[C@@H](O)c4ccccc4)ccc23)cc1 8790864 MLQDWRAQRJVTFL-HSZRJFAPSA-N 445.471 3.697 0 40 IHAB biogenic COc1c(Br)cc(Br)cc1C(=O)NC(=S)NCc1ccco1 8831522 HKDWFDRJCZUFTH-UHFFFAOYSA-N 448.136 3.618 0 40 IHAB Cc1ccc(C)c(-n2nnnc2SCC(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)c1 8994508 CIIXYWZZXAIYLF-HXUWFJFHSA-N 435.557 3.761 0 40 IHAB CC(C)Cn1c(SCC(=O)c2ccc3[nH]c(=O)[nH]c3c2)nc2ccc(Cl)cc2c1=O 9091525 XQPDUFZPVLRGAF-UHFFFAOYSA-N 442.928 3.851 0 40 IHAB CCNC(=O)CNc1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1cccc(C)c1 9155689 SDTDKJSOLHYKSN-UHFFFAOYSA-N 431.558 3.510 0 40 IHAB COc1cc(OC)c(NC(=O)Cn2nc(-c3ccc(C)c(C)c3)ccc2=O)cc1Cl 9250293 GBNLINGITSJKKU-UHFFFAOYSA-N 427.888 3.836 0 40 IHAB COc1ccc(OC)c(NC(=O)CSc2nnc(COc3cc(C)ccc3C)n2C)c1 9263520 LCOMJZKLSJLXHO-UHFFFAOYSA-N 442.541 3.759 0 40 IHAB CC(C)n1c(CNC(=O)c2ccccc2F)nnc1S[C@@H](C)C(=O)Nc1nccs1 9264003 RITQKTOZRUSRRX-LBPRGKRZSA-N 448.549 3.504 0 40 IHAB COc1ccccc1C[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(-c3ccccc3)cc2)C1=O 9315475 FSOTXYLTFVAXIG-AREMUKBSSA-N 443.503 3.854 0 40 IHAB CCOc1ccc(C(=O)Nc2c3c(nn2-c2ccc(F)cc2)C[S@](=O)C3)cc1OCC 9413311 IXVOPFSFQYDJLY-HKBQPEDESA-N 443.500 3.823 0 40 IHAB COc1ccc(Br)cc1CN(C)C(=O)CNC(=O)c1ccc2ccccc2c1 9508728 COYOGPFJFCHIOZ-UHFFFAOYSA-N 441.325 3.999 0 40 IHAB COC[C@@H](C)n1c(C)cc(C(=O)CN2C(=O)N[C@](C)(c3cc4ccccc4o3)C2=O)c1C 9753768 PGAIUZBKHKUODC-OYLFLEFRSA-N 437.496 3.708 0 40 IHAB CCOc1cccc2c(C)nc(Nc3nc(CSc4nccc(C)n4)cc(=O)[nH]3)nc12 9939134 QENVERSYLJYLQW-UHFFFAOYSA-N 435.513 3.555 0 40 IHAB CSCC[C@@H](NC(=O)CCc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O)C(=O)O 11865555 VIGFPSLQMXRSBD-QGZVFWFLSA-N 431.510 3.720 0 40 IHAB biogenic COc1ccc2cc(C(=O)NCC(=O)Nc3ccccc3Br)c(C)nc2c1 12769911 GAUDKPHUVJXQBY-UHFFFAOYSA-N 428.286 3.683 0 40 IHAB COc1ccc(NC(=O)[C@@H](C)N2CCC(C(=O)NCc3ccccc3)CC2)cc1Cl 12816670 RGWMLMPYGGXSNE-MRXNPFEDSA-N 429.948 3.704 0 40 IHAB Cc1cc(NC(=O)CN(C)CC(=O)Nc2c(Cl)cccc2Cl)n(-c2ccccc2)n1 12902197 VHTUWNFGLXBBSW-UHFFFAOYSA-N 446.338 3.997 0 40 IHAB Cc1cc(C)c(OCC(=O)N(Cc2ccc(Cl)cc2)[C@@H]2CCS(=O)(=O)C2)c(C)c1 13511242 BHYPNZOAFGVLEJ-HXUWFJFHSA-N 435.973 3.860 0 40 IHAB Cc1nn(CC(=O)Nc2nc3ccc(Br)cc3s2)c(=O)c2ccccc12 13570938 CBRWCZDPKLGIFA-UHFFFAOYSA-N 429.299 3.716 0 40 IHAB Cc1ccc(NC(=O)CSC(=S)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1Cl 13572131 IBQNBTXVSPVOAW-CABCVRRESA-N 448.013 3.886 0 40 IHAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCCN3CCC(C)CC3)ccc2C)c1 13670614 WKWSACZAKURQLT-UHFFFAOYSA-N 443.613 3.956 0 40 IHAB Cc1ccccc1Nc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N2CCOCC2)n1 13939902 GCQYTKSBDPBWAA-UHFFFAOYSA-N 437.344 3.632 0 40 IHAB O=C(CSc1nnc([C@H]2COc3ccccc3O2)o1)c1cccc(N2CCCC2=O)c1 14141927 ZVMHMLFZBOVUOB-LJQANCHMSA-N 437.477 3.684 0 40 IHAB COc1ccc(CNC(=O)C2CCN(c3ncnc4c3sc3ncccc34)CC2)cc1 16842210 MIASQNNIMYQUMK-UHFFFAOYSA-N 433.537 3.781 0 40 IHAB O=C(OCCN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1cccs1 18096199 UIJFELPQYGKNDA-JQBYJRRVSA-N 429.497 3.797 0 40 IHAB C[C@@H](C(=O)N1CCC[C@@H]([C@@H]2C[C@H](C(F)F)n3nc(C(C)(C)C)cc3N2)C1)N1CCCC1 19078263 MSXGFFFIKZDDKB-XWTMOSNGSA-N 437.579 3.894 0 40 IHAB Cc1ccc(-c2cccc(C[C@]3(C(=O)N(C)C)CCN(C(=O)CCn4cccn4)C3)c2)cc1 19212527 JULQJSPKECMKQL-HHHXNRCGSA-N 444.579 3.798 0 40 IHAB COc1ccccc1CC(=O)N[C@H](Cc1c[nH]c2ccccc12)c1cc(N(C)C)nc(C)n1 19240875 BUORAJIVIFOJGU-JOCHJYFZSA-N 443.551 3.984 0 40 IHAB O=C(CCCOc1cccc(F)c1)N1CCC[C@@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 19294263 WTFBEKRCLAIAIX-FHLIZLRMSA-N 437.466 3.505 0 40 IHAB NC(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)c2ccc3c(c2)OCCO3)C1 19331657 XPROUUMUWNOELK-VWLOTQADSA-N 448.544 3.747 0 40 IHAB COc1ccc(CN2CCc3nc([C@@H]4CCCN4C(=O)C[C@H]4C=CCC4)nc(O)c3C2)cc1 19555520 UBWKYTZCKVZNMI-MBSDFSHPSA-N 448.567 3.769 0 40 IHAB Cc1sc2ncn(CC3(O)CCN(Cc4c(F)cccc4Cl)CC3)c(=O)c2c1C 19561512 YXKZAHHPOHBQSD-UHFFFAOYSA-N 435.952 3.894 0 40 IHAB Cc1cc(Cc2ccccc2Cl)cc([C@H]2CCCN2S(=O)(=O)c2cn(C)cn2)n1 19691898 FMZOAWLDQKQZPA-HXUWFJFHSA-N 430.961 3.894 0 40 IHAB CNc1nc([C@@H]2CCCCN2C(=O)c2oc3ccccc3c2C)nc2c1CCN(C(C)=O)C2 19708561 VGZZWGIWWBAGQI-FQEVSTJZSA-N 447.539 3.845 0 40 IHAB CCN(C(=O)CCn1cnnn1)[C@H]1CCO[C@@H](c2ccc(-c3ccc(OC)cc3)cc2)C1 19711993 DTIDPERDFSONAD-JTHBVZDNSA-N 435.528 3.508 0 40 IHAB Cc1ccc(S(=O)(=O)N2CC[C@H](c3cc(C(=O)N(C)C)c4ccccc4n3)C2)cc1F 19761351 WCWPJHHUDQSSCK-INIZCTEOSA-N 441.528 3.562 0 40 IHAB CCOC(=O)[C@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@H]1c1ccco1 19820499 FMWRNVDTUQAAMW-YADHBBJMSA-N 429.476 3.987 0 40 IHAB CCOc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2Cl)C1 19859671 FFCAMDDVDHWYSB-MRXNPFEDSA-N 436.961 3.919 0 40 IHAB O=C(NCc1ccccc1Cl)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 20007640 RZHOUOPIFUWEGB-NRFANRHFSA-N 446.931 3.685 0 40 IHAB C[C@H](NS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(F)cc2)cc1)c1ccccc1 20019229 KRDDCMKJFQTPOB-KRWDZBQOSA-N 442.512 3.560 0 40 IHAB COc1ccc(Br)cc1CNC(=O)CSc1nc(O)c2ccccc2n1 20258561 MSKMPSKXTRWZMI-UHFFFAOYSA-N 434.315 3.515 0 40 IHAB COc1cccc(N2CCN(C(=O)Cn3ccc4cc(Br)ccc43)CC2)c1 20739950 IBSOBEGVEOIDRA-UHFFFAOYSA-N 428.330 3.761 0 40 IHAB CCOC(=O)c1ccc(N(Cc2cccnc2)C(=S)NC(=O)c2ccccc2OC)cc1 22528454 KDDWOCMPLANQHA-UHFFFAOYSA-N 449.532 3.988 0 40 IHAB O=C(CCOc1ccccc1)N(CCN1CCOCC1)c1nc2ccc(F)cc2s1 22998529 LFQMXQYBRQNEMZ-UHFFFAOYSA-N 429.517 3.570 0 40 IHAB CCOC(=O)c1sc(NC(=O)Cc2cc(O)nc(SCc3ccccc3)n2)nc1C 23137971 RSZCXRJSOIKSGP-UHFFFAOYSA-N 444.538 3.597 0 40 IHAB Cc1cc(OCC[S@@](=O)CC(=O)N2CCN(c3ccc(F)cc3)CC2)ccc1C(C)C 24830322 QCDDVCOUDOMIRV-HKBQPEDESA-N 446.588 3.734 0 40 IHAB C[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)CSc1cccc[n+]1[O-])OCCO3 24842437 OXSJRXXIMBLWKH-INIZCTEOSA-N 426.538 3.599 0 40 IHAB CCc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccc5c(c4)OCO5)cc3n2)cc1 32127031 IPMRUHBQTUFOCA-UHFFFAOYSA-N 445.504 3.838 0 40 IHAB COc1ccc(S(=O)(=O)NCc2cccnc2OCC(F)(F)F)c2ccccc12 32434234 ZMNSGFVASPUUCU-UHFFFAOYSA-N 426.416 3.663 0 40 IHAB COc1ccc(C(=O)NCc2ccccc2C)cc1S(=O)(=O)N(C)Cc1ccccc1 32498757 FAKDVJYWIIEPTP-UHFFFAOYSA-N 438.549 3.754 0 40 IHAB CC(C)[C@@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)NCCNC(=O)c1ccco1 32908622 NDPHHEYSEJTATB-MRXNPFEDSA-N 431.842 3.935 0 40 IHAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)CSc1nnc(-c2sc(C)nc2C)o1 40050102 BKAXAORPHWSGOM-UHFFFAOYSA-N 448.570 3.968 0 40 IHAB C[C@H](Sc1nc(N)cc(N)n1)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 40159226 DNHXLCHGWDACNB-XHDPSFHLSA-N 442.932 3.746 0 40 IHAB CC(=O)c1ccc(NC(=O)Cn2c3ccccc3n3c(=O)cc(-c4cccnc4)nc23)cc1 40484425 RVDSOCCGOBNWHF-UHFFFAOYSA-N 437.459 3.553 0 40 IHAB COCCn1c(SCC(=O)Nc2ccc(C(F)(F)F)cc2)nc2ccsc2c1=O 57425878 FXXUAEONBFKJHF-UHFFFAOYSA-N 443.472 3.854 0 40 IHAB CN(C[C@H]1CCCN(C(=O)NC[C@H](c2ccco2)N2CCCC2)C1)C(=O)OC(C)(C)C 58080051 PFLAUIRUKZRSSJ-RTBURBONSA-N 434.581 3.705 0 40 IHAB COCCOc1ccc(NC(=O)N2CCN(C(=O)c3cc4ccccc4o3)CC2)c(C)c1 58210503 ITLQAJFQLCHMSU-UHFFFAOYSA-N 437.496 3.756 0 40 IHAB CCn1cnnc1C1CCN(C(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)CC1 58419373 YQYJXFPOMPSKNV-UHFFFAOYSA-N 445.567 3.710 0 40 IHAB O=C(c1cccnc1Oc1ccc(Br)cc1)N1CCC[C@H](c2nc[nH]n2)C1 72313785 KEIKNRWYHJPAII-ZDUSSCGKSA-N 428.290 3.774 0 40 IHAB CS(=O)(=O)c1ccc(CN2CCOC[C@H]2c2nc(-c3cccc(Cl)c3)c[nH]2)cc1 72322140 TYZIWVOCXPOFKZ-FQEVSTJZSA-N 431.945 3.707 0 40 IHAB biogenic,in-vitro COc1ccc(S(=O)(=O)N2CCC[C@H](c3ccnc(Nc4ncccc4C)n3)C2)cc1 72377739 DWJFIHPUSTWDNR-KRWDZBQOSA-N 439.541 3.501 0 40 IHAB COc1cc(COCC2CCN(CC(=O)Nc3ccc(C(C)=O)cc3)CC2)cc(OC)c1 77191436 QZNJOCDKTLNKED-UHFFFAOYSA-N 440.540 3.774 0 40 IHAB CCOc1ccc(-c2noc(CN(C)c3ccc(C(=O)N4CCOCC4)cc3C)n2)cc1 79014212 AFMYTZBGQJXFOU-UHFFFAOYSA-N 436.512 3.553 0 40 IHAB O=S1(=O)CC[C@@H](Nc2ncnc3c2cnn3-c2ccccc2)c2cc(Cl)ccc21 79109253 SDASRWFORFLNDJ-QGZVFWFLSA-N 425.901 3.800 0 40 IHAB CN1CCC(N(C)[C@H]2CCCC[C@@H]2N(C)C(=O)Nc2ccc3c(c2)OCCCO3)CC1 95446469 ZDXUAGUOJWLTHN-SFTDATJTSA-N 430.593 3.649 0 40 IHAB CC(C)[C@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2ccccc2F)n1C 101164871 BZMDTALUUAKXQX-IBGZPJMESA-N 441.532 3.812 0 40 IHAB COc1cc(Cl)c(C)cc1N1C(=O)[C@H]2C(c3ccc(Br)cc3)=NO[C@H]2C1=O 102557244 SECGSVQQLYOHTO-DOTOQJQBSA-N 449.688 3.712 0 40 IHAB CC(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3C[C@@H](NC(C)=O)[C@@H]2OC(C)=O)C1 118920864 XPIBCNBRWGFJER-DRMSUILTSA-N 432.605 3.580 0 40 IHAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCCN(C)S(=O)(=O)c1ccccc1 219727769 RXAPZWHOXKRTGH-HXUWFJFHSA-N 446.569 3.515 0 40 IHAB Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1OCC(=O)N(C)Cc1ccccc1F 222796079 NSZQZVMHRILWQZ-UHFFFAOYSA-N 442.512 3.972 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)cc1N1C(=O)CCC1=O 223050950 AWIKHUGUULHAPM-UHFFFAOYSA-N 436.489 3.816 0 40 IHAB CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccc(CC)cc1 223070018 ICXPOPQBJVKEHZ-INIZCTEOSA-N 447.373 3.944 0 40 IHAB CCSc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2C)s1 223213160 SXGNHPKQGYWCCV-UHFFFAOYSA-N 440.616 3.776 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCC(C)C)c2)c2cccnc12 223259434 ZHGFQDXONGGHLL-UHFFFAOYSA-N 427.526 3.738 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)N1CCCc2ccccc21 224024578 OIEQMCZSFTXAGN-UHFFFAOYSA-N 442.581 3.782 0 40 IHAB O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)NCCOc1ccccc1Cl 224117861 KARJPDLHIRQWDC-UHFFFAOYSA-N 444.940 3.977 0 40 IHAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)C1 224256873 XNCIXAYIAGDCQC-BGYRXZFFSA-N 443.613 3.610 0 40 IHAB CCOC(=O)CN(c1ccccc1Br)S(=O)(=O)c1ccc(OCC)cc1 224588447 IDFJYRHHBWLTAC-UHFFFAOYSA-N 442.331 3.606 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(F)cc2F)c(Cl)c1Cl 224625777 JHYWNAXWLGOMHQ-UHFFFAOYSA-N 426.224 3.560 0 40 IHAB CS(=O)(=O)N(CC(=O)Nc1ccc(N2CCCCC2)cc1)c1ccc(F)c(Cl)c1 224952279 DAOQSCDHPVNICA-UHFFFAOYSA-N 439.940 3.874 0 40 IHAB CNS(=O)(=O)c1cccc(C(=O)NCCSCc2ccc(Cl)c(Cl)c2)c1 225408260 VEIVXCBZLDAAKO-UHFFFAOYSA-N 433.382 3.565 0 40 IHAB COc1ccc(CN(C(=O)COc2cc(C)cc(C)c2C)[C@@H](C)C(=O)NC(C)C)cc1 225677619 HDVRJLSEXQDNTQ-FQEVSTJZSA-N 426.557 3.941 0 40 IHAB CC(C)Oc1ccc(NC(=O)C2(NS(=O)(=O)Cc3ccc(Cl)cc3F)CC2)cc1 225928455 QPPNTPIHXUAPRV-UHFFFAOYSA-N 440.924 3.857 0 40 IHAB COc1ccc(N(C)C(=O)C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1 226076499 GAOIXEPUHYYORN-UHFFFAOYSA-N 430.570 3.684 0 40 IHAB CC(C)(C)C(=O)N1CCO[C@](COc2cccc(Cl)c2)(CC(=O)N2CCCCC2)C1 257234543 GUBKHOCBOUVXNE-HSZRJFAPSA-N 436.980 3.765 0 40 IHAB CN1C(=O)C2(CCN(C(=O)C3(c4ccccc4)CCOCC3)CC2)C[C@@H]1Cc1ccccc1 257271168 MXDDNFODBRTAOC-DEOSSOPVSA-N 446.591 3.817 0 40 IHAB Cn1cc(C(=O)N2CCC[C@]3(CC2)CN(c2ccc(F)cc2)C(=O)CO3)c2ccccc21 257302791 SEKQCLKTHUUBLE-VWLOTQADSA-N 435.499 3.746 0 40 IHAB CCCNC(=O)C(=O)Nn1c(C(=O)Nc2ccccc2Cl)cc2cc(Cl)ccc21 408608866 QCSCZSOBOZKPCT-UHFFFAOYSA-N 433.295 3.797 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)cc1 408617315 GDJNNMKSBWDDPD-UHFFFAOYSA-N 432.542 3.665 0 40 IHAB COc1ccccc1NC(=O)COC(=O)CCC(=O)Nc1cc(Cl)ccc1Cl 408655577 DLOGBTFOWJYOPY-UHFFFAOYSA-N 425.268 3.903 0 40 IHAB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cccn3-c3ccc(Cl)cc3)C2=O)c1 409098968 RRBQYPVXGVKTAT-DEDYPNTBSA-N 434.883 3.971 0 40 IHAB O=C(CN1C(=O)N/C(=C/c2ccc(OCc3ccccc3)cc2)C1=O)Nc1ccccc1F 409201429 NBUCZKVPGGOMLE-HYARGMPZSA-N 445.450 3.936 0 40 IHAB CC(C)(CNC(=O)c1cc(Cl)cc(F)c1N)CNC(=O)c1cc(Cl)cc(F)c1N 536102627 JBCCTTZHEUUSSY-UHFFFAOYSA-N 445.297 3.622 0 40 IHAB COC(=O)c1cc(-c2ccccc2CNC(=O)c2cnn(-c3cccc(Cl)c3)c2C)[nH]n1 540881353 MDHKCPDWXRQTQW-UHFFFAOYSA-N 449.898 3.941 0 40 IHAB O=C([C@H]1CC(c2ccccn2)=NO1)N1CCCC[C@@H]1Cc1cccc(Br)c1 1130113059 FGCCMNIRCJKZFV-YLJYHZDGSA-N 428.330 3.961 0 40 IHAB COc1ccc(-n2c(SCC(=O)Nc3cccc(O)c3)nnc2-c2ccncc2)cc1 1223927 CKQXSNCLQUALSL-UHFFFAOYSA-N 433.493 3.774 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc3ccc(NC(C)=O)cc3s2)cc1 1514363 OAJIFKZLDGRUDP-UHFFFAOYSA-N 446.554 3.538 0 40 IHAB COC(=O)[C@@](O)(c1ccc(NC(=O)Nc2ccc(Cl)cc2)c(OC)c1)C(F)(F)F 2276053 VVGWFFQNUYUDJT-KRWDZBQOSA-N 432.782 3.916 0 40 IHAB CCN(CC)C(=O)Cn1cc(C(=O)C(=O)NCc2ccccc2Cl)c2ccccc21 3007590 IUNRPXUMSMGTDB-UHFFFAOYSA-N 425.916 3.662 0 40 IHAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)c1nc(-c2cccnc2)nc2ccccc12 3429099 VXQXZJOVTNWPRZ-UHFFFAOYSA-N 441.491 3.928 0 40 IHAB CCNC(=O)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCCC3 3580197 ZWSUUYTWPGZBEA-UHFFFAOYSA-N 427.595 3.808 0 40 IHAB Cc1cccc(-c2ccc3c(c2)C(=O)N2C[C@@H](NC(=O)c4ccccc4)C[C@H]2C(=O)N3)c1C 8299660 SDWKNEYQYCEMHP-RDPSFJRHSA-N 439.515 3.936 0 40 IHAB biogenic,in-vitro COc1ccc2nc(SCC(=O)Nc3cccc(I)c3)[nH]c2c1 8758729 VLPKRTDYXQFVAT-UHFFFAOYSA-N 439.278 3.907 0 40 IHAB COc1ccc(-c2cc(=O)oc3c(C)c(OCC(=O)NCc4ccccn4)ccc23)cc1 8792005 JPFLUMWDWNDMSC-UHFFFAOYSA-N 430.460 3.867 0 40 IHAB biogenic CCCC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@H]1c1cc(OC)ccc1OC 8843916 MKXQMLIQBVUQCC-FQEVSTJZSA-N 445.541 3.553 0 40 IHAB COc1ccc2c(C)c(CCC(=O)NCCc3c[nH]c4ccc(OC)cc34)c(=O)oc2c1 8878835 UWLUEPKMJMMCIS-UHFFFAOYSA-N 434.492 3.891 0 40 IHAB biogenic CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)Cc2ccccc2-3)cc1 8879175 YECGPFBUDSVXLZ-UHFFFAOYSA-N 427.551 3.997 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(C(=O)c2cccs2)CC3)cc1 8977273 SKODPHYKZHYGRV-UHFFFAOYSA-N 428.535 3.756 0 40 IHAB COc1cc(NC(=O)[C@@H]2CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)cc(OC)c1 8990176 JVHCISVJJYXOJV-GOSISDBHSA-N 435.524 3.995 0 40 IHAB Cc1cccc(Cn2c(=O)c3c(nc4n3C[C@H](C)CN4c3ccc(C)c(C)c3)n(C)c2=O)c1 9089078 QTPBEVBUYSNTHQ-QGZVFWFLSA-N 443.551 3.658 0 40 IHAB Cc1ccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(Cc3cc(C)ccc3C)c(=O)n2C)cc1 9110252 WYLZIUWJWWCGDV-SFHVURJKSA-N 443.551 3.658 0 40 IHAB COC(=O)c1ccc2c(=O)[nH]c(CSc3nc(C)nc4sc(C)c(C)c34)nc2c1 9127405 PAHWXYRWVDKJER-UHFFFAOYSA-N 426.523 3.932 0 40 IHAB Cc1cc(C)c(-c2n[nH]c3c2[C@@H](c2ccc(Br)cc2)N(CCO)C3=O)c(O)c1 9184761 FJXORGSGFOXJLU-HXUWFJFHSA-N 442.313 3.699 0 40 IHAB O=C(NCc1ccc(Cl)cc1Cl)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12 9245299 JVXSXSCDQPMKOH-UHFFFAOYSA-N 442.349 3.535 0 40 IHAB COc1ccc2c(CC(=O)N3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)coc2c1 9428790 QTAIVMHYFDGGBV-UHFFFAOYSA-N 436.464 3.590 0 40 IHAB NC(=O)c1c(NC(=O)COCc2cc(-c3ccc(F)cc3)on2)sc2c1CCCC2 9436248 BMXYFAIRODGEEB-UHFFFAOYSA-N 429.473 3.675 0 40 IHAB O=C(NCCC1=CCCCC1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 9645395 GRMGCFUQSSYVBZ-UHFFFAOYSA-N 441.963 3.608 0 40 IHAB O=C(COc1cc(Cl)ccc1Cl)Nc1cccc(S(=O)(=O)N2CCCC2)c1 9703755 VBHQJMUWNRVTQI-UHFFFAOYSA-N 429.325 3.795 0 40 IHAB Cc1cc(NC(=O)C(c2ccccc2)c2ccccc2)n(-c2nc3c(c(=O)[nH]2)CCC3)n1 9822568 GDEJLTVDCFDBKV-UHFFFAOYSA-N 425.492 3.523 0 40 IHAB C[C@H]1CCN(C(=O)CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c2ccccc2S1 9836729 BDDUEQVGNHQPNM-HNAYVOBHSA-N 448.548 3.548 0 40 IHAB C[C@H](CCc1ccccc1)NC(=O)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 10008750 JWUXAQZYLCWNGZ-OAQYLSRUSA-N 442.625 3.799 0 40 IHAB Cc1ccc(N2CCCn3c2nc2c3c(=O)n(CCCc3ccccc3)c(=O)n2C)c(C)c1 10104965 BKWVVHOVGFLYLX-UHFFFAOYSA-N 443.551 3.688 0 40 IHAB COc1ccc(S(=O)(=O)CC(=O)Nc2nc(-c3nc4ccccc4s3)cs2)cc1 10219334 IMLUKWJTFLRIOE-UHFFFAOYSA-N 445.547 3.841 0 40 IHAB COc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc(C)cc2Br)cc1OC 10869422 APZVYUMHNSABBG-RMKNXTFCSA-N 434.286 3.970 0 40 IHAB CCc1ccc2c(COC(=O)CCCN(C)S(=O)(=O)c3cccs3)cc(=O)oc2c1 11032893 WFWWAZKEJKYNAJ-UHFFFAOYSA-N 449.550 3.561 0 40 IHAB CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)CN1C[C@H](C)O[C@H](C)C1 12377629 PREHQJYVZNQTCN-GASCZTMLSA-N 432.542 3.648 0 40 IHAB COCCCn1c(-c2cccs2)cs/c1=N\c1cccc(S(=O)(=O)N(C)C)c1 12604160 UMLKPBDSURJQPD-VXPUYCOJSA-N 437.612 3.797 0 40 IHAB CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)C[C@H](NC(C)=O)c1ccc(C)cc1 12947125 SFZLDVLAAFBHAD-IBGZPJMESA-N 440.931 3.501 0 40 IHAB CC[C@H](C(=O)NCCSCc1cccc(C)c1)N(c1ccc(C)cc1)S(C)(=O)=O 13713461 JAOGSMWJISYTGN-OAQYLSRUSA-N 434.627 3.898 0 40 IHAB CC[C@@H](C(=O)Nc1cc(C(=O)OC)ccc1C)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714538 PAYXVQCWQFSIGM-SFHVURJKSA-N 438.933 3.618 0 40 IHAB CCn1c(CC(=O)Nc2ccc(C)cc2)nnc1SCC(=O)N[C@H](C)c1ccccc1 13955776 YYWRSFSMGWPOAS-QGZVFWFLSA-N 437.569 3.757 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(NC(=O)Cc2ccc(NC(C)=O)cc2)ccc1Cl 14228129 PYWTULVFNYBLAT-UHFFFAOYSA-N 437.949 3.510 0 40 IHAB COc1ccc(S(=O)(=O)N(C)CC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 16186722 YFIGFKZOGHNMBU-UHFFFAOYSA-N 438.549 3.545 0 40 IHAB CC(=O)c1ccc(NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1 16321939 ASSDVYGIXBLUMP-UHFFFAOYSA-N 448.850 3.966 0 40 IHAB COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)OC(=O)c1nn(-c2ccccc2)nc1C 17015674 JOAUKCDCJHUJLK-AWEZNQCLSA-N 428.876 3.730 0 40 IHAB COc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1Cl 17101821 XKDRVYUDGRIJBZ-SECBINFHSA-N 437.974 3.761 0 40 IHAB O=C(Cc1cccs1)N1CCCC[C@@H]1c1nc(O)c2c(n1)CN(C1CCCC1)CC2 19343216 JZYBLKQKAYXBQX-HXUWFJFHSA-N 426.586 3.841 0 40 IHAB CC(C)N1CCc2nc3cc([C@@H]4CCCCN4C(=O)c4cccc(F)c4)nn3c(O)c2C1 19448061 QKZLJKQMHVUTGF-NRFANRHFSA-N 437.519 3.708 0 40 IHAB CCCNC(=O)[C@@]1(Cc2ccccc2-c2ccc(F)cc2)CN(C(=O)C(C)C)CCO1 19503608 CDLYBIMUNFSIQJ-RUZDIDTESA-N 426.532 3.815 0 40 IHAB CN(C)c1cccc(C(=O)N[C@H](Cc2cc(=O)[nH]c(-c3cccnc3)n2)c2ccccc2)c1 19585074 XHTULZXUOZKCDH-HSZRJFAPSA-N 439.519 3.612 0 40 IHAB CNC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)c2ccc3c(c2)OCO3)C1 19591554 XBTZYJSZMNBLHF-HHHXNRCGSA-N 442.515 3.903 0 40 IHAB CNC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2cccc(OC)c2OC)C1 19591726 KXGMNSNAQOUCOB-HHHXNRCGSA-N 445.563 3.947 0 40 IHAB CNc1cc(CN(C)C(C)=O)nc([C@@H]2CCCN2Cc2ccccc2N2CCCCC2)n1 19760638 HYACROJKSPJWDV-QHCPKHFHSA-N 436.604 3.824 0 40 IHAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NCc3ccc(OC(C)C)cc3)CC2)c1 20105876 QRPQPODQEPIPDP-UHFFFAOYSA-N 444.597 3.640 0 40 IHAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(Cl)cc1)N(CCN1CCOCC1)C3=O 20308181 XPDRIONTFORCMJ-OAQYLSRUSA-N 438.911 3.632 0 40 IHAB CCOC(=O)c1cc(O[C@H](C)C(=O)N(C)Cc2cccc(F)c2)cc(C(=O)OCC)c1 22040089 MYKJZWAVQUZOBZ-OAHLLOKOSA-N 431.460 3.605 0 40 IHAB O=C(CN1CCN(Cc2ccc3c(c2)CCO3)CC1)Nc1ccccc1Cc1ccccc1 22799990 MDIKZKMAXVUXDP-UHFFFAOYSA-N 441.575 3.969 0 40 IHAB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)NC23CC4CC(CC(C4)C2)C3)CC1 24610869 INYUMGRBGVFIMU-UHFFFAOYSA-N 430.614 3.622 0 40 IHAB CSc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1C(=O)N1CCCCC1 26115893 LIEYFIXIQZTZEL-UHFFFAOYSA-N 430.595 3.782 0 40 IHAB O=c1c(Br)c(Br)cnn1Cc1coc(-c2cccc(F)c2)n1 26778290 RZQVERQFAFMTMN-UHFFFAOYSA-N 429.043 3.611 0 40 IHAB C[C@H]1CN(C(=O)c2ccccc2NC(=O)/C=C/c2cnn(-c3ccccc3)c2)C[C@@H](C)O1 27987116 OBMFHKHHTDIVGE-FRAKRBTFSA-N 430.508 3.774 0 40 IHAB C[C@H](NC(=O)Cn1ncc2ccccc2c1=O)c1cccc(NC(=O)c2ccccc2)c1 32925188 HYLBYTIDAZNFJZ-KRWDZBQOSA-N 426.476 3.526 0 40 IHAB COc1cc(CN2CCC[C@H]2c2nc(-c3ccc(N(C)C)nc3)no2)cc(OC)c1OC 35426284 MQVRISLBCDQQJQ-KRWDZBQOSA-N 439.516 3.561 0 40 IHAB biogenic,in-vitro Cc1cc(N2C[C@@H](C(=O)N3CCC[C@@H]3c3ccncc3)CC2=O)ccc1Br 36394292 SCCOPEOHSFIWMZ-QFBILLFUSA-N 428.330 3.869 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)OCc1nc2ccccc2nc1C 39611389 STBRJOYYDRWZQU-UHFFFAOYSA-N 439.537 3.778 0 40 IHAB CCN(CC(=O)Nc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc2ccccc2c1 39986894 XUHXWDMKDAVVAF-UHFFFAOYSA-N 428.510 3.506 0 40 IHAB Cc1nn(-c2ccccc2)c(Cl)c1CS(=O)(=O)CC(=O)Nc1ccc(F)cc1F 40127559 AQSFKYMBQWIUPV-UHFFFAOYSA-N 439.871 3.666 0 40 IHAB CCN(C(=O)[C@H](C)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)[C@@H]1CCS(=O)(=O)C1 57739593 CMUZUWNRSRAHOS-UZQXPDGISA-N 444.641 3.990 0 40 IHAB COc1ccc(C)cc1/C=C/C(=O)Nc1ccc2oc(=O)n(CC(=O)N3CCCCC3)c2c1 58008824 YGZMYCPIRCNNGI-YRNVUSSQSA-N 449.507 3.576 0 40 IHAB COc1ccc(C2=NC3(CCCCC3)N(CC(=O)N3CCOc4ccc(C)cc43)C2=O)cc1 71768963 AKPFLCXBODPPTK-UHFFFAOYSA-N 447.535 3.721 0 40 IHAB Cc1ccc(CNC(=O)C2CCN(C(=O)[C@](C)(c3ccc(F)cc3)N(C)C)CC2)cc1F 72301554 INWMREOBHDUHPJ-VWLOTQADSA-N 443.538 3.605 0 40 IHAB CC(=O)Nc1ccc(S(=O)(=O)NC2(c3nc(C4CC4)no3)CCCCC2)cc1Cl 77197400 ZSBBJZYTSQRZQL-UHFFFAOYSA-N 438.937 3.697 0 40 IHAB COc1cc(C)ccc1OCC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)CC[C@H]1C(F)(F)F 95997581 YPPYIYCHOYNYCW-YOEHRIQHSA-N 446.466 3.829 0 40 IHAB CNC(=O)c1cc([C@H]2CC[C@H](CNC(=O)c3n[nH]c4c3CCCC4)CC2)nc2ccccc12 100658055 JZYOPOKJYVUJKR-CALCHBBNSA-N 445.567 3.900 0 40 IHAB C[C@@H](C(=O)N1CCc2ccccc2C1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 220247689 JFSYCMSGLRLKPO-ZDUSSCGKSA-N 427.353 3.733 0 40 IHAB Cc1ccccc1OC[C@H](C)NC(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O 222637261 OWQLKTLADXRYPB-IBGZPJMESA-N 432.586 3.742 0 40 IHAB CC[C@H](NS(=O)(=O)c1nnc(NC(=O)c2ccccc2C)s1)c1ccc(OC)cc1 222640307 NVVYBJODCLXFGN-KRWDZBQOSA-N 446.554 3.537 0 40 IHAB C[C@H](C(=O)NCc1cccnc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1 222852262 AOHIOLVAVBGDEM-GOSISDBHSA-N 437.927 3.848 0 40 IHAB COc1cc(C)c([C@H](C)NC(=O)CN(c2ccccc2OC)S(C)(=O)=O)cc1C(C)C 223294348 RIKYPFQEPCRIMB-KRWDZBQOSA-N 448.585 3.779 0 40 IHAB Cc1cc(C)c([C@@H](C)NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1C 223467748 JCECOWOTMXUMFK-QRWLVFNGSA-N 436.961 3.670 0 40 IHAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@@H](C)COc2ccccc2C)cc1 223581661 KRJOQIXFAGMXMP-CEZZIEKDSA-N 434.492 3.951 0 40 IHAB COc1ccc(S(=O)(=O)NCc2ccc(OC)c(OC)c2OC)c(Cl)c1Cl 223695125 ROUCNSKSSCGHCP-UHFFFAOYSA-N 436.313 3.506 0 40 IHAB CC(C)c1ccccc1OCCNC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 223764714 LEWBCAXUABUSRB-UHFFFAOYSA-N 442.940 3.564 0 40 IHAB CCOC(=O)N1CCN(C(=O)c2ccc(OC)c(COc3ccccc3Cl)c2)CC1 224138361 MMKGKHPFEMZEFK-UHFFFAOYSA-N 432.904 3.842 0 40 IHAB CN(C)CCCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1Cl 224246710 AXPVSCAIDLCALX-UHFFFAOYSA-N 444.384 3.500 0 40 IHAB CS(=O)(=O)N(CC(=O)Nc1ccc(N2CCCC2)cc1)c1cc(Cl)ccc1Cl 224908143 CQYCSTNUFRGBAU-UHFFFAOYSA-N 442.368 3.998 0 40 IHAB COC(=O)CN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224969498 ZDUIZXKWXAFUJG-UHFFFAOYSA-N 427.906 3.504 0 40 IHAB O=C(NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1)c1cncc(Br)c1 225757611 KQANYGDDVGODLU-UHFFFAOYSA-N 432.347 3.695 0 40 IHAB O=C(C1CCN(Cc2ccccn2)CC1)N1CCC[C@@H]1c1nc(Cc2ccc(F)cc2)n[nH]1 257203279 APIAWKTYCVBETI-JOCHJYFZSA-N 448.546 3.505 0 40 IHAB CC(=O)N1CCC(Cc2cccc(F)c2)(C(=O)N2CCC[C@H](Cc3ccccn3)C2)CC1 257261410 LHDYZKODMNEIRP-JOCHJYFZSA-N 437.559 3.873 0 40 IHAB CCOc1ccccc1N(CCCC(=O)N[C@H](C)COc1ccc(C)cc1)S(C)(=O)=O 260512298 VVDXWJAKEFTXTF-LJQANCHMSA-N 448.585 3.524 0 40 IHAB C[C@H]1CCCN(c2cc(N3CCC[C@@H](C)C3)nc(NC(=S)NCc3cccnc3)n2)C1 260723105 WVHBZDZRWKNJOE-HDICACEKSA-N 439.633 3.831 0 40 IHAB CN(CC(=O)N[C@H]1CC2(CCCCC2)Oc2ccccc21)S(=O)(=O)c1ccccc1 260843182 OUYGZCIPMJDLBY-FQEVSTJZSA-N 428.554 3.650 0 40 IHAB O=C(CNS(=O)(=O)c1cc(Cl)ccc1Cl)N1CCC(Cc2ccccc2)CC1 409166296 CVZNDVDAXSCFIK-UHFFFAOYSA-N 441.380 3.753 0 40 IHAB CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CC1)OCc1ccccc12 675398444 FFDLXBILMKVGMA-DEOSSOPVSA-N 445.563 3.899 0 40 IHAB Cc1nnnn1-c1ccc(C(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)OC[C@@H]2C)c(F)c1 1523264295 IXILALRMYCLNBF-BUXKBTBVSA-N 449.408 3.731 0 40 IHAB CC(C)n1cc(C2=CCCN([C@@H]3CCCN(Cc4ccc(F)cc4F)C3=O)CC2)nn1 1645837858 AZPPAUPLNCORFJ-JOCHJYFZSA-N 429.515 3.808 0 40 IHAB CCCNC(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O 1889002141 SPLJIHBLZKCRKF-LBZGMPNKSA-N 449.676 3.890 0 40 IHAB CC(=O)N1CCC(C(=O)N2CCC(c3ccc4cc(-c5ccncc5)cnc4n3)CC2)CC1 1889019159 JKUHHFLRTJTVHE-UHFFFAOYSA-N 443.551 3.656 0 40 IHAB CCOC(=O)CSc1nnc2n(-c3ccc(C)cc3)c(=O)c3c4c(sc3n12)CCC4 2289275 VAPQHJWHEZGHBC-UHFFFAOYSA-N 440.550 3.547 0 40 IHAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@@H](C)[C@@H](c2cccs2)N2CCCC2)c1 3211576 WXCOWWSQUYQFTG-UWJYYQICSA-N 449.642 3.734 0 40 IHAB C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)n1-c1ccc(Cl)cc1)C(=O)NC(N)=O 3521728 BKYFZDPBQOSUNU-NSHDSACASA-N 440.916 3.745 0 40 IHAB Cc1ccc(-n2nnnc2SCC(=O)c2cc(C)n(C[C@H]3CCCO3)c2C)c(C)c1 5414200 DHIBAMCLMCAXEV-GOSISDBHSA-N 425.558 3.851 0 40 IHAB COc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2cccnc2)cc1OC 8845307 HEJZXLHPYFUKSI-DEOSSOPVSA-N 442.475 3.940 0 40 IHAB O=C1c2ccccc2C(=O)N1CCSc1nnc2c(Cl)cc(C(F)(F)F)cn12 8884469 OMYOPZDNOVYVHI-UHFFFAOYSA-N 426.807 3.790 0 40 IHAB COc1ccc(CNC(=O)Cn2cnc3sc(-c4ccccc4)c(C)c3c2=O)cc1OC 8899618 MHIZXTWCGOCRQH-UHFFFAOYSA-N 449.532 3.767 0 40 IHAB CCn1c(CC(=O)Nc2ccc(C)cc2C)nnc1SCc1nc2ccccc2c(=O)[nH]1 9262711 LWUAKFRTOKYPAX-UHFFFAOYSA-N 448.552 3.625 0 40 IHAB COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCc3ccc(F)cc3)c2)cc1 9282805 LOSYYXYWOXTQJA-UHFFFAOYSA-N 428.485 3.589 0 40 IHAB O=C(COc1ccccc1Cl)N(Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 9424873 FCVVMBKIRWDZIR-MRXNPFEDSA-N 428.337 3.588 0 40 IHAB Nn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1cc(-c2ccccc2)n[nH]1 9452049 VVBRRZJLVZGCJI-UHFFFAOYSA-N 443.895 3.572 0 40 IHAB COC(=O)c1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccccn2)cc1 9453451 SXCXMPQQLZTWED-FQEVSTJZSA-N 430.391 3.864 0 40 IHAB COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)Nc1ccc(OC)cc1OC 9646441 NXPPRCVGIYGKIZ-UHFFFAOYSA-N 425.459 3.645 0 40 IHAB CCCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3cccc(C(=O)O)c3)c(OC)c2)C1=O 9933343 WMLKELMIJYARPD-LICLKQGHSA-N 444.871 3.929 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(F)c(C)c2)Cc2ccco2)cc1 10552498 GSLFXYIJHXKGEK-UHFFFAOYSA-N 430.501 3.543 0 40 IHAB O=C(Nc1cccc(Br)c1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 10755597 FOSGLVCLNYSJJH-GFCCVEGCSA-N 429.361 3.550 0 40 IHAB CNC(=O)NC(=O)[C@H](C)OC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CCC2 11500008 VMZBZFJGHWKWHN-MRPLLJTBSA-N 433.464 3.706 0 40 IHAB Cc1c(O)ccc2c(CSc3nnc(-c4ccc(OC(F)F)cc4)n3N)cc(=O)oc12 11807963 NNUYOEVHCHIDRV-UHFFFAOYSA-N 446.435 3.673 0 40 IHAB C[C@@H]1Cc2ccccc2N1C(=O)C[C@@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21 12233090 RNRCFYSHVJZXGZ-CRAIPNDOSA-N 443.532 3.597 0 40 IHAB O=C(Cc1n[nH]c(=O)c2ccccc12)OCc1csc(COc2ccc(Cl)cc2)n1 12262410 QWDZFPLESXMERA-UHFFFAOYSA-N 441.896 3.898 0 40 IHAB Cc1cc(Br)cc(Br)c1OCC(=O)Nc1ccccc1C(N)=O 12486280 FEVSVTHEULYSAI-UHFFFAOYSA-N 442.107 3.636 0 40 IHAB CCCN(Cn1nc(-c2ccco2)n(-c2ccccc2)c1=S)[C@H]1CCS(=O)(=O)C1 12516792 VECGAYHHTYNVAP-KRWDZBQOSA-N 432.571 3.520 0 40 IHAB Cc1sc2nc(CSc3ccccc3)nc(N(C)CC(=O)N3CCOCC3)c2c1C 12850400 WKUADVBJXKQBMX-UHFFFAOYSA-N 442.610 3.895 0 40 IHAB COCCOC(=O)C1=C(C)N(c2ccc3c(c2)OCO3)C(=O)N[C@H]1c1ccc(Cl)cc1 12920973 GFLKAANOQYGGEY-FQEVSTJZSA-N 444.871 3.803 0 40 IHAB O=S(=O)(Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1)c1cccc(Cl)c1 13009996 LQSUKWZKZFNKNE-UHFFFAOYSA-N 426.889 3.860 0 40 IHAB C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)OCC(=O)Nc2cccc(F)c2)cc1 13042092 RYTBLXMMGSNEBY-IAGOWNOFSA-N 442.487 3.790 0 40 IHAB COC(=O)COc1c(Cl)cc(/C=C2/N=C(c3cccc(Cl)c3)OC2=O)cc1OC 13564649 BJCZDHAMKOFWSL-VIZOYTHASA-N 436.247 3.898 0 40 IHAB O=C(CNC(=O)COc1ccccc1)NCc1ccc(-c2ccc(Br)cc2)o1 14076805 HGFPJXZNTDMXKI-UHFFFAOYSA-N 443.297 3.521 0 40 IHAB COc1ccc(S(=O)(=O)N(C)Cc2nc3ccccc3s2)cc1Br 14239413 ABUHABVNXRVBTR-UHFFFAOYSA-N 427.345 3.888 0 40 IHAB Cc1ccc(NC(=O)CCC(=O)c2ccc(F)cc2)cc1S(=O)(=O)N1CCCCC1 15704884 FVIXDTXPNJEASY-UHFFFAOYSA-N 432.517 3.910 0 40 IHAB O=C(NCc1ccc(F)cc1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 15961179 IGKUKDLMZNFJTO-UHFFFAOYSA-N 445.343 3.850 0 40 IHAB O=C(Cc1csc(-c2ccccc2)n1)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 16050726 ZFKQZQOFKLQMGK-NRFANRHFSA-N 425.529 3.681 0 40 IHAB C[C@H](Sc1nnc(-c2ccc[nH]2)o1)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 18454533 TXGZPOXNJVCESO-VIFPVBQESA-N 437.403 3.549 0 40 IHAB O=C(C1CCCCC1)N1CCC[C@@H]1c1cc2nc3c(c(O)n2n1)CN(C1CCCC1)CC3 19292133 WSDJYHACSINBTB-JOCHJYFZSA-N 437.588 3.979 0 40 IHAB CCOC(=O)[C@]1(Cc2cc(-c3cccc(C)c3)no2)CCCN(C(=O)[C@H]2CCCO2)C1 19529908 BQVHLZUDNSJLSD-QPPBQGQZSA-N 426.513 3.543 0 40 IHAB COc1cccc(C(=O)N2CCNC(=O)[C@@H](Cc3ccc(-c4ccccc4F)cc3)C2)c1 19564620 XTEHIWJBLYTNQQ-NRFANRHFSA-N 432.495 3.932 0 40 IHAB COc1cc(CN2CC[C@@](Cc3ccc(-c4cccnc4)cc3)(C(N)=O)C2)cc(OC)c1 19595069 RWJKNGGUVTVPOZ-SANMLTNESA-N 431.536 3.686 0 40 IHAB O=C(Cn1nnc2ccccc21)N1CCO[C@@H](c2ccc(Cc3ccccc3Cl)cn2)C1 19692917 BXEQHUGEBVMSID-HSZRJFAPSA-N 447.926 3.671 0 40 IHAB CC[C@@H](C(=O)N1CCC(c2ccc(C(=O)N3CCCCC3)cn2)CC1)N1CCCCC1 19708359 SODPFGYURGNKJJ-QHCPKHFHSA-N 426.605 3.678 0 40 IHAB CC(C)c1ncc(CN2CC[C@H](c3cc(C(=O)N4CCOCC4)c4ccccc4n3)C2)cn1 19761905 BQPHPTPERUYUHA-FQEVSTJZSA-N 445.567 3.610 0 40 IHAB COc1ccccc1CN(C)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 20041319 MNJWNYKLKRUMOL-UHFFFAOYSA-N 442.512 3.688 0 40 IHAB COc1ccc(NC(=O)[C@H](C)Oc2cccc(C)c2C)cc1S(=O)(=O)N1CCCCC1 20106040 QMCVOYWZTMCDHM-SFHVURJKSA-N 446.569 3.893 0 40 IHAB CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nc2sc3c(c2c1=O)CCN(C)C3 20332191 NWBJHPNCYATEIB-UHFFFAOYSA-N 449.001 3.850 0 40 IHAB O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(F)(F)F)c1cccs1 20836354 SXYWOMLXZWOJHB-UHFFFAOYSA-N 434.461 3.726 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CNc2cccc3c2CCCC3)c1 21698564 VWWIMKSGKUTRTC-UHFFFAOYSA-N 445.585 3.655 0 40 IHAB CCc1nc2sc([C@H](c3ccc(Cl)cc3)N3CCC4(CC3)OCCO4)c(O)n2n1 22854047 PTCUYXCRZLVHDV-INIZCTEOSA-N 434.949 3.641 0 40 IHAB Cc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)N2CCN(C)CC2)o1 22938480 VASFEFNQZBFEMO-LJQANCHMSA-N 428.920 3.615 0 40 IHAB O=C(c1cc(=O)c2cc(Br)ccc2o1)N(Cc1ccco1)C[C@@H]1CCCO1 28251369 XPPGKBVZYZHQIQ-HNNXBMFYSA-N 432.270 3.970 0 40 IHAB Cc1nc(CSCCC(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)cs1 32423258 PUKNRIXMPDBMQM-UHFFFAOYSA-N 447.582 3.681 0 40 IHAB O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cn2ccccc2n1)c1cccs1 33028538 VGPRUCGVCNXILA-HXUWFJFHSA-N 443.532 3.535 0 40 IHAB CCn1cc2c(C(F)(F)F)cc(=O)n(CCC(=O)Nc3ncc(Cl)cc3Cl)c2n1 36621412 KVYCJJORBGIJEV-UHFFFAOYSA-N 448.232 3.967 0 40 IHAB COc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3N2C[C@H](O)c2ccc(F)cc2)cc1 37470620 SYRSRFSMSANKPI-PKTZIBPZSA-N 449.482 3.724 0 40 IHAB CCc1nnc2c(=O)n(CC(=O)Nc3ccc(Cl)cc3C(F)(F)F)c3ccccc3n12 57522826 UCQYWICYWRHGMW-UHFFFAOYSA-N 449.820 3.918 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ncoc1-c1cccs1 57728847 BCFDICZPFMUORU-UHFFFAOYSA-N 429.479 3.727 0 40 IHAB Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN([C@@H](C)c3nc(-c4cccs4)no3)C2)cc1 58305052 QBHFPDIZTXWYSJ-IRXDYDNUSA-N 446.598 3.858 0 40 IHAB CCn1c(SCC(=O)N[C@@](C)(C(=O)OC)c2ccccc2)nnc1-c1ccccc1C 65589183 OTNGTKLTXZDOOX-HSZRJFAPSA-N 438.553 3.570 0 40 IHAB COc1ccc(CC[C@@H]2CCCCN2C(=O)CCNC(=O)c2cccs2)cc1OC 70038160 KZABEPRKYFJUFN-SFHVURJKSA-N 430.570 3.899 0 40 IHAB Cc1nccn1-c1cc(N2CCC(C(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)ncn1 70637935 FHBVWJHZJOMARJ-UHFFFAOYSA-N 446.433 3.724 0 40 IHAB COc1ccc(OC)c2c1CN(Cc1c(C)nn(Cc3ccccc3)c1Cl)C[C@H]2O 71810945 CRNBHZLJNOOTFO-LJQANCHMSA-N 427.932 3.960 0 40 IHAB COc1cccc(-c2cnc(N)nc2[C@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)c1 72376934 VTNVOXZCUBWRKT-HXUWFJFHSA-N 442.516 3.789 0 40 IHAB COc1ccc(CCC(=O)N2CCN(c3nc4ccccc4nc3N3CCCC3)CC2)cc1 83944077 KXDNNPYCRKIFHE-UHFFFAOYSA-N 445.567 3.520 0 40 IHAB Cc1cc(NC(=O)CSCC(=O)Nc2ccc(CC[C@H](O)c3ccccc3)cc2)no1 95348890 JJOHBAFXLUBSHX-FQEVSTJZSA-N 439.537 3.960 0 40 IHAB CC(C)n1cnc([C@@H]2CN(C(=O)c3ccccc3)c3ccc(C(=O)NCC4CC4)cc32)n1 96156527 FPKDPAGESHNHNY-OAQYLSRUSA-N 429.524 3.791 0 40 IHAB CC(=O)Nc1sc2c(c1[C@@H](c1cccc(Cl)c1)N1CCN(CCO)CC1)CCCC2 96300452 RPRYFZGVQUZOGP-JOCHJYFZSA-N 448.032 3.938 0 40 IHAB COC(=O)/C(=C/Nc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 98212037 KTLNUAVASCHLIS-ZHZULCJRSA-N 433.526 3.902 0 40 IHAB CC[C@H](C(=O)Nc1cc(OC)ccc1OC)N(c1cc(Cl)ccc1C)S(C)(=O)=O 220710428 SGOFGPHUPSTUEX-QGZVFWFLSA-N 440.949 3.849 0 40 IHAB COc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CCCN(C)C 223217488 XSGGOQPFQCSGEL-PKTZIBPZSA-N 435.597 3.805 0 40 IHAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(C)(C)C)cc2)cc1C(=O)NC(C)C 223882976 SCCDQDYQZVHLKI-UHFFFAOYSA-N 432.586 3.952 0 40 IHAB CCOc1ccc(-c2noc(CN(C)S(=O)(=O)c3c(C)cc(OC)cc3C)n2)cc1 224068076 GAGHXRNHTKUKPM-UHFFFAOYSA-N 431.514 3.581 0 40 IHAB COc1cccc(CN(C(=O)COc2ccccc2Cl)[C@@H](C)C(=O)NCC(C)C)c1 224443127 CJPFCQZZRSKHTI-KRWDZBQOSA-N 432.948 3.917 0 40 IHAB O=C(Nc1nnc(S(=O)(=O)Nc2ccc(OC3CCCC3)cc2)s1)c1ccccc1 225345550 SXSQZTUZFTYXPC-UHFFFAOYSA-N 444.538 3.913 0 40 IHAB CC(C)Oc1cccc(CCCNC(=S)Nc2cccc(N(C)S(C)(=O)=O)c2)c1 225565334 HZHSNXMOFQLMRD-UHFFFAOYSA-N 435.615 3.789 0 40 IHAB CCc1c(C)sc2ncn([C@@H]3CCCN(CC(=O)N4[C@H](C)CCC[C@H]4C)C3)c(=O)c12 251996479 KVIFAHCOEATTHL-JFIYKMOQSA-N 430.618 3.755 0 40 IHAB Cc1nc2ccc(C(=O)N3CCC(c4n[nH]cc4C(=O)N4CCCCCC4)CC3)cc2[nH]1 257233675 GQEYLOVLUBSDDZ-UHFFFAOYSA-N 434.544 3.630 0 40 IHAB O=C(C[C@H]1CN(C(=O)c2cncs2)CC[C@@H]1Oc1ccc(F)cc1)N1CCCCC1 257270158 MSZXZMWKIVFYTO-LPHOPBHVSA-N 431.533 3.595 0 40 IHAB O=S(=O)(Cc1cc(F)ccc1F)N(CCn1ccc(-c2ccncc2)n1)C1CCCC1 390826307 HUBJJMZAEPLOLK-UHFFFAOYSA-N 446.523 3.998 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2c(F)cccc2F)C1 408591346 LGGROQXYTNUDGU-GFCCVEGCSA-N 444.887 3.666 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(F)cc2)C1 408595882 VWVNRJZHAZSSKY-CYBMUJFWSA-N 426.897 3.527 0 40 IHAB COc1cccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(C)cc3)[C@H]2c2ccc(Cl)cc2)c1 409054891 OINUHRLMCQJULQ-LMOLPZMTSA-O 448.930 3.673 0 40 IHAB COc1cc(OC)c(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c(OC)c1 409235195 YVYUZUBHVNBCTH-VCHYOVAHSA-N 446.456 3.527 0 40 IHAB CC(C)(C)c1noc(CN2CCCC3(CCCN(Cc4nc(C(C)(C)C)no4)C3)C2)n1 558466364 LMJNQHQMZKHXOU-UHFFFAOYSA-N 430.597 3.926 0 40 IHAB OC1(COc2ccccc2F)CCN(Cc2cccc(OCCn3cccn3)c2)CC1 585274128 RVUVNILDFQPSRL-UHFFFAOYSA-N 425.504 3.507 0 40 IHAB Cc1ccc(-n2c(SCC(=O)N3CCO[C@@H]4CCCC[C@@H]43)nc3ccccc3c2=O)cc1 613878202 MMVYLTHZQJMRLV-FCHUYYIVSA-N 449.576 3.956 0 40 IHAB COC(=O)c1ccc([C@@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)cn1 687753748 YXQMXYRYRRZDRT-JOCHJYFZSA-N 446.459 3.923 0 40 IHAB COc1cccc(OCC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2)c1 1129646070 QETYQTSUWXKSRZ-NRFANRHFSA-N 426.513 3.895 0 40 IHAB c1cc(-n2cnnc2)ccc1N(c1ccc(-n2cnnc2)cc1)c1ccc(-n2cnnc2)cc1 1848350178 YXMJEZQIZABOHJ-UHFFFAOYSA-N 446.478 3.899 0 40 IHAB CCc1cc(=O)oc2cc(C)cc(OC(=O)[C@H](CC)NS(=O)(=O)c3ccc(C)cc3)c12 2095827 TZGIIMFWLXQLBG-SFHVURJKSA-N 443.521 3.635 0 40 IHAB biogenic CCCc1cc(=O)oc2cc(OCC(=O)N3CCC(C(=O)O)(c4ccccc4)CC3)ccc12 2115758 ZVRQTZHADMPMNW-UHFFFAOYSA-N 449.503 3.769 0 40 IHAB biogenic O=c1/c(=C\c2ccc(-c3nc4ccccc4s3)o2)sc2nc(-c3ccncc3)nn12 2393051 GMKPMJXUVHHDQP-GZTJUZNOSA-N 429.486 3.630 0 40 IHAB CCOc1ccc(NC(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1 2637413 NVENDEDMGQSFFE-UHFFFAOYSA-N 429.476 3.519 0 40 IHAB C[C@H]1CCc2nc3ccccc3c(C(=O)OCc3cccc(S(=O)(=O)N(C)C)c3)c2C1 2663990 CUVNVCSXZVANGY-INIZCTEOSA-N 438.549 3.967 0 40 IHAB Cc1ccc(CNC(=O)CCCCCn2c(=S)[nH]c3cc4c(cc3c2=O)OCO4)cc1 2974392 MBVSYAROCGAGSC-UHFFFAOYSA-N 439.537 3.973 0 40 IHAB O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cccc(S(=O)(=O)N2CCOCC2)c1 3212144 WCKRGQAIWHSSDV-UHFFFAOYSA-N 449.743 3.920 0 40 IHAB Cc1nc(NC(=O)COC(=O)C[C@@H]2Sc3ccccc3NC2=O)c(Cl)cc1Cl 3352079 LVUJRTHEKOENFN-AWEZNQCLSA-N 440.308 3.682 0 40 IHAB COc1ccccc1C(=O)NC(=S)Nc1cccc2c1C(=O)N(c1ccccc1)C2=O 6298318 JKIKRBXDYYCGDT-UHFFFAOYSA-N 431.473 3.623 0 40 IHAB Cc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@@H]4C3=O)cc2)cc1C 8449900 HQIUIXICPTTWCQ-YDLSIGKMSA-N 431.488 3.879 0 40 IHAB Cc1nc(SCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)n(C2CCCC2)c1C 8710083 YOEJYPLFRKDSHE-UHFFFAOYSA-N 430.530 3.827 0 40 IHAB CC(=O)c1cccc(NC(=O)COc2cc3oc(=O)c(C[C@@H](C)O)c(C)c3cc2Cl)c1 8830219 ZEOTTYLCJGDTHS-GFCCVEGCSA-N 443.883 3.898 0 40 IHAB CC/C(Nc1ccc(OC)cc1OC)=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 9245165 MWDOLNYPJCUHGY-OBGWFSINSA-N 429.860 3.716 0 40 IHAB COC(=O)Cc1c(C)c2ccc3c(c2oc1=O)CN(c1cccc(Br)c1)CO3 9411061 XJLNAWXIYOCEGC-UHFFFAOYSA-N 444.281 3.936 0 40 IHAB CCn1c(CC(=O)Nc2ccc(C)c(C)c2)nnc1SCC(=O)Nc1cccc(O)c1 9426862 ZWVVNKDMELQUIE-UHFFFAOYSA-N 439.541 3.532 0 40 IHAB O=S(=O)(c1ccc(C2=NN=C(Nc3ccccc3F)SC2)cc1)N1CCCCC1 9467952 XXVQFOFWIHKTKA-UHFFFAOYSA-N 432.546 3.919 0 40 IHAB CN1C(=O)N(CC(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)C(=O)C12CCCCC2 9587006 CZBLEIITYMBEKP-UHFFFAOYSA-N 439.487 3.831 0 40 IHAB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1ccc(C(=O)c2ccccc2)cc1 9591611 BVZZGOVEGISBTM-UHFFFAOYSA-N 443.503 3.977 0 40 IHAB C[C@@H]1CN(C(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)C[C@@H](C)O1 9669932 IQAHZRPQJKXQHT-HUUCEWRRSA-N 443.960 3.711 0 40 IHAB CN(C)CCCn1c2c(c(SCC(=O)Nc3cccc4ccccc34)nc1=O)CCC2 9745894 KCDJJGBVIBDGQQ-UHFFFAOYSA-N 436.581 3.568 0 40 IHAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CCN1C(=O)CSc2ccccc21 9866100 JBKFTDYPSSOUFS-UHFFFAOYSA-N 434.565 3.693 0 40 IHAB Cc1cccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)s2)c1 11617403 HKVDWNLDOHHUKV-UHFFFAOYSA-N 428.539 3.550 0 40 IHAB CN(C)S(=O)(=O)c1cccc(NC(=O)Cc2csc3nc(-c4cccs4)cn23)c1 12560397 IJEJSBWBMUZCAT-UHFFFAOYSA-N 446.579 3.556 0 40 IHAB CC(C)N(C(=O)C(=O)NC1CCCC1)[C@@H](C(=O)NCc1cccs1)c1ccc(F)cc1 12641182 UFGFDPNGULSAOF-HXUWFJFHSA-N 445.560 3.541 0 40 IHAB CCc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2cccnc2)C(=O)c2csnn2)cc1 12874675 IUPKAUGFJOXBFU-JOCHJYFZSA-N 449.580 3.938 0 40 IHAB C[C@@H](NC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1)c1cccc2ccccc12 12889619 KEZZOYGAELCADU-YLJYHZDGSA-N 438.549 3.788 0 40 IHAB COc1cc(CCC(=O)Nc2ccccc2C(=O)NC2CCCC2)cc(OC)c1OC 13097969 GCJPOZDNSFXBQV-UHFFFAOYSA-N 426.513 3.956 0 40 IHAB Cc1ccc(S(=O)(=O)N[C@@H](CCOC(=O)c2ccc(O)cc2)c2ccccc2)cc1 13129404 YPBPWPPEAWOCPY-QFIPXVFZSA-N 425.506 3.967 0 40 IHAB COc1ccc(OC)c([C@@H]2CC(=O)Nc3nc(SCc4cccc(C)c4)[nH]c(=O)c32)c1 13567275 ZPTOIEYPXZNGQU-KRWDZBQOSA-N 437.521 3.862 0 40 IHAB O=C(Nc1ccccc1F)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 13677380 QFPGQIWBQQWNNQ-OAQYLSRUSA-N 426.469 3.562 0 40 IHAB Cc1[nH]c2ccc(F)cc2c1CCNC(=O)C1CCN(C(=O)c2cccc(F)c2)CC1 13690947 JYHBJGVSRABMLD-UHFFFAOYSA-N 425.479 3.966 0 40 IHAB Cc1cc(NC(=S)NC(=O)COc2ccccc2)cc(C)c1I 13946226 AUILFOUTIZJKIV-UHFFFAOYSA-N 440.306 3.800 0 40 IHAB C[C@H]1C[C@@H](C)CN(C(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)C1 14183952 GJFKEZLMYJMSEC-OKILXGFUSA-N 433.401 3.899 0 40 IHAB CC1(C)CC(=O)c2sc(NC(=O)CCS(=O)(=O)c3ccc(Cl)cc3)nc2C1 16047945 OXTMSAWECQMLHE-UHFFFAOYSA-N 426.947 3.754 0 40 IHAB COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 16154395 STAKRZSDAONNMU-UHFFFAOYSA-N 429.479 3.570 0 40 IHAB COC(=O)c1cc(-c2ccco2)nc2c1c(-c1ccccc1)nn2[C@H]1CCS(=O)(=O)C1 16850647 KCIYITSTLNEZBG-HNNXBMFYSA-N 437.477 3.505 0 40 IHAB CC(C)N1CCc2nc3cc([C@@H]4CCCCN4C(=O)Cc4cccs4)nn3c(O)c2C1 19448057 JBLKIMWVVMNMBK-FQEVSTJZSA-N 439.585 3.559 0 40 IHAB CC[C@H]1Oc2ccc(C(=O)c3cccs3)cc2N(CC(=O)NCc2ccccc2)C1=O 19500855 UDEPCVMFBSIJPQ-LJQANCHMSA-N 434.517 3.800 0 40 IHAB CCOC(=O)C1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCN(C(=O)c2ccco2)CC1 19530166 LXFDQPSHLCFSJF-SFHVURJKSA-N 428.460 3.788 0 40 IHAB COCCOc1ccc(C(=O)N2CCC[C@@H]2c2nc(N(C)C)ncc2-c2ccncc2)cc1 19585303 RKBHQPGBACNVST-JOCHJYFZSA-N 447.539 3.607 0 40 IHAB CNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)Cc2ccccn2)CC1 19700276 NOZNEBHKBBSNHW-UHFFFAOYSA-N 427.548 3.889 0 40 IHAB Cc1cc(CCCC(=O)N2CCC[C@@H](c3nc(C)c4c(n3)N(C)C(=O)CC4)C2)ccc1F 19741504 FNIDSJNAPJYXDL-LJQANCHMSA-N 438.547 3.870 0 40 IHAB CNC(=O)c1cc([C@@H]2CCN(Cc3cn[nH]c3-c3cccc(OC)c3)C2)nc2ccccc12 19761945 ANWDXDLXLVWUTN-GOSISDBHSA-N 441.535 3.983 0 40 IHAB COc1ccc(NC(=O)c2cnc([C@@H]3CCN(C(=O)Cc4ccc(C)cc4)C3)nc2C)cc1 19766226 WSJMPNCTWJYNBX-HXUWFJFHSA-N 444.535 3.913 0 40 IHAB COc1ccc(N(CC(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)S(C)(=O)=O)cc1 20491387 MMOLHSNCMZWUHC-XMMPIXPASA-N 438.549 3.675 0 40 IHAB CN(C)[C@H](CNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)c1cccs1 21763068 OGGCXTKUYVFCDK-LJQANCHMSA-N 447.557 3.721 0 40 IHAB C[C@@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc2c(c1)OCCO2 24601371 IDFMQRBYLSSSPA-CQSZACIVSA-N 435.446 3.965 0 40 IHAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cccnc1N1CCCC1 24601852 AHNNNXQWGNBWKJ-UHFFFAOYSA-N 440.544 3.568 0 40 IHAB CC(=O)c1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)c1 24765618 OEOMAKUSASCUHS-LJQANCHMSA-N 430.460 3.577 0 40 IHAB COc1ccc(OC)c([C@@H](C)NC(=O)CSc2nc(C)c(C)n2C[C@@H]2CCCO2)c1 27956307 SWBGUNLZVHDFAP-QAPCUYQASA-N 433.574 3.666 0 40 IHAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 30866649 JBEBEBDVSGZXCT-AWEZNQCLSA-N 431.901 3.942 0 40 IHAB Cc1cc(I)cnc1NC(=S)NC(=O)Cc1ccc(Cl)cc1 32125328 BBXWHANOBKFIGG-UHFFFAOYSA-N 445.713 3.704 0 40 IHAB COc1ccc(S(=O)(=O)N(C)c2ccsc2C(=O)NCCc2cccs2)cc1 33141779 PZDMFRNDONDWDG-UHFFFAOYSA-N 436.580 3.616 0 40 IHAB COc1ccccc1C(=O)NC(=S)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 33925946 SWRZRJWUJZJRRD-XHYAQGIWSA-N 425.598 3.605 0 40 IHAB COc1ccc(-n2cnc3cc(C(=O)NC[C@@H](O)c4ccccc4)ccc3c2=O)cc1Cl 36360674 HJQKKDSXZBNRGD-OAQYLSRUSA-N 449.894 3.511 0 40 IHAB COc1ccc(-c2cc(C(=O)Nc3ncn(Cc4ccccc4)n3)c3cnn(C)c3n2)cc1 36613409 GSBUUKGDYUBDLV-UHFFFAOYSA-N 439.479 3.536 0 40 IHAB CCc1ccc(-c2nc(C)c(C(=O)Nc3cc(C)nn3[C@@H]3CCS(=O)(=O)C3)s2)cc1 40052036 ZHSBCOYKCXJNSX-QGZVFWFLSA-N 444.582 3.798 0 40 IHAB O=C(Nc1ccc(N2CCCN(C(=O)C3CC3)CC2)cc1)c1cc(-c2cccs2)n[nH]1 42382822 SXJMBVSJNIGPIS-UHFFFAOYSA-N 435.553 3.839 0 40 IHAB COc1ccc([C@H]2CCCCCN2C(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)cc1 48313674 CHZSCSFCSCXROA-LJQANCHMSA-N 432.542 3.830 0 40 IHAB CCOc1ccc([C@H](C)NCc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)cc1OCC 49625251 BNMQSAFLDFAADM-AWEZNQCLSA-N 427.501 3.589 0 40 IHAB COc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCN(c3ccccc3)CC2)cc1OC 56945363 CGAXCVOIPSEPOL-NRFANRHFSA-N 435.524 3.590 0 40 IHAB CCc1ccc(NC(=O)COc2coc(CN3CCN(c4ccccc4)CC3)cc2=O)cc1 56949809 JBCIFTTWGOUEJW-UHFFFAOYSA-N 447.535 3.542 0 40 IHAB CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@@H](C)N1CCN(c2ccccc2)CC1 57058670 QMGYZYXLBLETHO-MRXNPFEDSA-N 438.503 3.633 0 40 IHAB CCc1c(C)nc2cc(-c3ccoc3C)nn2c1N1CCN(C(=O)c2ccncc2)CC1 57740601 RZXCEYLHCPZTGA-UHFFFAOYSA-N 430.512 3.526 0 40 IHAB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)OCC2CCN(C(C)=O)CC2)cc1 58312108 WJWLRUGABRCSEG-UHFFFAOYSA-N 433.508 3.963 0 40 IHAB O=C(c1cc2ccccc2[nH]1)N1CCCN(c2cc(-c3ccc4c(c3)OCO4)n[nH]2)CC1 62007400 AIDDJLWHYAOIII-UHFFFAOYSA-N 429.480 3.639 0 40 IHAB Cc1cc(F)ccc1NC(=O)Cn1c(=O)n(-c2cccc(C)c2C)c(=O)c2sccc21 67218515 SPBDEXLSXVPABJ-UHFFFAOYSA-N 437.496 3.917 0 40 IHAB Cc1ccc(C)c([C@H]2NC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C3=C2C(=O)OC3)c1 67288667 PNNAQZWURQYAMR-HSZRJFAPSA-N 433.508 3.943 0 40 IHAB CCC(=O)N(C)c1ccccc1C(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 72306842 GKYOBSUATGWDTR-UHFFFAOYSA-N 443.569 3.876 0 40 IHAB C[C@@H]1CC[C@@H]2N(C[C@@H]3[C@H](CC[C@H]4[C@@H]5C[C@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@@H]5C[C@H]43)[C@]2(C)O)C1 85542434 IUKLSMSEHKDIIP-TTXCBFETSA-N 431.661 3.678 0 40 IHAB biogenic,in-vitro Cc1cc(F)ccc1-n1cc(C(=O)Nc2ncnc3c2c(C)c(C)n3C[C@@H]2CCCO2)nn1 96011131 PXNWOHRJWVZKNJ-KRWDZBQOSA-N 449.490 3.508 0 40 IHAB CN(C)c1nccc(N2CCC3(CC2)CN(C(=O)Cc2cccs2)Cc2ccccc23)n1 96242648 GHISMQCFSPXVER-UHFFFAOYSA-N 447.608 3.727 0 40 IHAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)CN3CCC(C)CC3)CC2)on1 100743649 RXZIHDMFUHADNM-BGYRXZFFSA-N 425.577 3.870 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3c(C)cc(C)cc3C)C2)cc1OC 108258569 QVWQQRIJXNKIDO-SFHVURJKSA-N 446.569 3.668 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(C)cc2)c2ccc(F)cc2)cc1 113936981 NHYNQLLPUIJVLX-UHFFFAOYSA-N 442.512 3.654 0 40 IHAB COc1ccc(Cl)cc1N([C@H](C)C(=O)N[C@H](C)c1cc(C)ccc1C)S(C)(=O)=O 113941253 DTEPEKPVLVJTPO-HZPDHXFCSA-N 438.977 3.997 0 40 IHAB COc1ccc([C@H](C)NC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)cc1 223068170 HKJWVQCIPWFKDX-KRWDZBQOSA-N 436.533 3.938 0 40 IHAB CCNC(=O)c1cc(S(=O)(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)ccc1OC 223326550 SQDMEWDEAXPHPZ-MRXNPFEDSA-N 448.585 3.925 0 40 IHAB CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)COc1ccc(Cl)cc1Cl 223372232 FBWMHHNUDRFNDH-GOSISDBHSA-N 439.339 3.934 0 40 IHAB Cc1ccc(Cl)cc1N([C@@H](C)C(=O)NCCOc1cccc(C)c1C)S(C)(=O)=O 223926880 SOQADBRQVGWTSC-KRWDZBQOSA-N 438.977 3.615 0 40 IHAB Cc1ccc(OCCNC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)c(C)c1 224237656 NUGQPAQUTIBINJ-UHFFFAOYSA-N 444.578 3.999 0 40 IHAB CC[C@H](NS(=O)(=O)c1nnc(NC(=O)c2ccc(C)cc2)s1)c1ccc(C)cc1 224533325 GMTQNICXYXTZTB-KRWDZBQOSA-N 430.555 3.837 0 40 IHAB CCN(CC(=O)Nc1cccc(-c2csc(C)n2)c1)S(=O)(=O)c1ccc(F)cc1 226060158 NQPHFFFYYIVYTA-UHFFFAOYSA-N 433.530 3.907 0 40 IHAB CC(C)(C)CNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1 226062137 ACDKETPMPNPPJS-UHFFFAOYSA-N 445.423 3.935 0 40 IHAB O=C(N1CCC[C@@H](Cc2ccc3nccn3n2)CC1)C1(c2ccccc2F)CCOCC1 257214541 CMJRCHFHGLCOCF-LJQANCHMSA-N 436.531 3.788 0 40 IHAB CN1CCN(c2cc(C(=O)N3CCC[C@@H](Cc4cccc5cccnc45)CC3)ccn2)CC1 257251769 JSCVORFIXBVRLV-OAQYLSRUSA-N 443.595 3.867 0 40 IHAB Cc1nc(Nc2cccc([C@@H]3CN(CC(=O)N4CCC(C)CC4)CCO3)n2)sc1C 257259106 KWVVPNWYSALUNH-IBGZPJMESA-N 429.590 3.530 0 40 IHAB CCCNC(=O)CCc1c(C)nc2cc([C@H]3CCCN3Cc3ncccc3C)nn2c1C 257300410 RUDVPJVIWXULPB-HSZRJFAPSA-N 434.588 3.845 0 40 IHAB CNC(=O)c1cccc([C@@H]2CN(C(=O)C(C)(c3ccccc3)c3ccccc3)CCN2C)c1 257342497 ZOYMTKIIMHQIJJ-VWLOTQADSA-N 441.575 3.868 0 40 IHAB C[C@H]1CCCN(c2cc(N3CCOCC3)nc(NC(=S)N[C@H](C)c3ccccc3)n2)C1 260722985 WBTZNEHIBAJBGL-ZWKOTPCHSA-N 440.617 3.597 0 40 IHAB Cc1ccc2c(c1)c(/C=c1\sc3nc(C)c(C)c(=O)n3c1=O)c(C)n2Cc1ccccc1 409032104 IHRSIJHDKZNQPX-QRVIBDJDSA-N 441.556 3.901 0 40 IHAB CCN1C(=O)N/C(=C/c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)C1=O 409166063 CNFUMPZTTLUQJL-LICLKQGHSA-N 443.887 3.587 0 40 IHAB COc1ccc(N(CC(=O)Nc2ccc(Br)c(Cl)c2)S(C)(=O)=O)cc1 409264246 OATZQERAMDWFJT-UHFFFAOYSA-N 447.738 3.516 0 40 IHAB O=C1CCc2cc(C(=O)N3CCC[C@H](NC(=O)c4ccc5ccccc5c4)C3)ccc2N1 531517031 PKBGYDZDRNLOHP-QFIPXVFZSA-N 427.504 3.759 0 40 IHAB Cc1nccn1CCOc1cccc(CN2CCC(O)(COc3ccccc3F)CC2)c1 585274179 XDKDYCSSVMIGPT-UHFFFAOYSA-N 439.531 3.816 0 40 IHAB O=C1NCCc2ccc(NC(=O)[C@@H]3CCCN(C(=O)c4ccc(Cl)c(Cl)c4)C3)cc21 604968205 BXKPTFTZIJKXSG-OAHLLOKOSA-N 446.334 3.770 0 40 IHAB CC(C)CCN1CC(=O)NCCCCCOc2cccc(C(=O)NC3CCCC3)c2C1 643575053 DETMZRDGNWVXKH-UHFFFAOYSA-N 429.605 3.886 0 40 IHAB C[C@@H]1CN(C(=O)c2cccc(Nc3nn[nH]n3)c2)C[C@H](c2cccc(C(F)(F)F)c2)O1 1141359094 NWHSABCHZCPBFC-SJKOYZFVSA-N 432.406 3.564 0 40 IHAB O=C(C[C@@H]1Cc2c(O)nc(NCc3ccccc3)nc2NC1=O)Nc1ccc(Cl)cc1 1548338289 BWISDDOEQBVLJE-AWEZNQCLSA-N 437.887 3.587 0 40 IHAB Cc1ccccc1C(=O)N1CCC2(CC1)[C@@H](C(=O)N(C)C)c1ccccc1C(=O)N2C(C)C 1549168151 UFLSUHYJLMLDST-HSZRJFAPSA-N 447.579 3.706 0 40 IHAB COc1cc2c(c3cc(C[C@@H](C)O)c(=O)oc13)Cc1c(C(=O)O)cc(Cl)c(C=O)c1O2 1772591411 WGJRNKYAIQWLIR-SECBINFHSA-N 444.823 3.586 0 40 IHAB COc1ccc(-n2ncc3c(SCC(=O)Nc4ccc(N(C)C)cc4)ncnc32)cc1 1346628 AJMZQFZMRAAGQT-UHFFFAOYSA-N 434.525 3.621 0 40 IHAB Cc1cccc2cc(CN(Cc3ccccc3)S(=O)(=O)c3ccccc3)c3nnnn3c12 1376758 SVGKHOBLKKCJQL-UHFFFAOYSA-N 443.532 3.977 0 40 IHAB O=C([C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)N1CCC(Cc2ccccc2)CC1 1458443 WCEFTKHJYSWKKN-JOCHJYFZSA-N 426.582 3.569 0 40 IHAB CSCC[C@H](NC(=O)Cc1c(C)c2cc3c4c(oc3cc2oc1=O)CCCC4)C(=O)O 2104475 ZIUUQUVOMKEGBZ-KRWDZBQOSA-N 443.521 3.591 0 40 IHAB biogenic COc1cc(C(=O)OCC(=O)Nc2ccc(SC(F)F)cc2)cc(OC)c1OC 3237724 OEQXKYVYYFJOOH-UHFFFAOYSA-N 427.425 3.823 0 40 IHAB COCCn1c(SCCOc2cccc(Br)c2)nnc1-c1ccncc1 3347179 WKQBDYQLTYOUKD-UHFFFAOYSA-N 435.347 3.920 0 40 IHAB COC[C@H](C)n1c(SCC(=O)c2ccc(OC)c(OC)c2)nc2ccccc2c1=O 3370456 DOCPNWUJJOMUAG-AWEZNQCLSA-N 428.510 3.596 0 40 IHAB COc1ccc(N2C(=O)CS[C@]23C(=O)N(CN2CCC[C@@H](C)C2)c2ccccc23)cc1 3634752 ZQJFOQBVAWPLRO-MZNJEOGPSA-N 437.565 3.664 0 40 IHAB Cc1cc2cc(CN(Cc3ccco3)C(=S)NCCCN(C)C)c(=O)[nH]c2cc1C 4132944 PPIBUTKNVUKGIY-UHFFFAOYSA-N 426.586 3.566 0 40 IHAB CCOC(=O)Cc1csc(NC(=O)c2sc3nc4ccc(OC)cc4cc3c2N)n1 6089403 QQMRUEUVSPAXRQ-UHFFFAOYSA-N 442.522 3.855 0 40 IHAB C[C@H]1Cc2ccccc2N1C(=O)CNc1ccc(S(=O)(=O)N2CCCCCC2)cc1 7978423 MFODWBBXQJXEMM-SFHVURJKSA-N 427.570 3.641 0 40 IHAB Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)COC(=O)c3ccccc3F)cc2)cc1 8384410 BIVBECTZHNXQLA-UHFFFAOYSA-N 428.437 3.942 0 40 IHAB O=C(c1cc(-c2ccco2)nc2ccccc12)N1CCN(S(=O)(=O)c2ccccc2)CC1 8733806 BBYFJVDUFADBAW-UHFFFAOYSA-N 447.516 3.642 0 40 IHAB CCOC(=O)c1ccc(N2C(=O)[C@H]3ON(c4ccccc4C)[C@H](c4ccco4)[C@@H]3C2=O)cc1 8741683 KRTFUMFAYMRUBY-BDTNDASRSA-N 446.459 3.816 0 40 IHAB CC[C@@H](c1nnc(SCc2nc3ccsc3c(=O)[nH]2)n1Cc1ccccc1)N(C)C 8768884 XJPXMEUKIBEOPI-INIZCTEOSA-N 440.598 3.929 0 40 IHAB CC[C@@H](Sc1nnc(CC(=O)Nc2ccccc2)n1C)C(=O)Nc1ccccc1F 9095891 WLJNQTQBJDPFSR-QGZVFWFLSA-N 427.505 3.645 0 40 IHAB COc1ccc(/C=C(/NC(=O)/C=C/c2ccccc2)C(=O)NCCCCCC(=O)O)cc1 9463795 IWQHNCCORUEHRN-BCGASZDZSA-N 436.508 3.627 0 40 IHAB C[C@H]1CCN(C(=O)CN2CCC(C(=O)Nc3ccccc3O)CC2)c2ccccc2S1 9499229 SWYHTGGSCZEUNT-KRWDZBQOSA-N 439.581 3.960 0 40 IHAB COCCn1c(SCC(=O)NCc2ccc(OC)cc2)nnc1-c1ccc(Cl)cc1 9506946 FFMOLAXDMBVILT-UHFFFAOYSA-N 446.960 3.662 0 40 IHAB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nc(C(F)(F)F)nn32)cc1O 9540012 OWHMBGVHPVGYDJ-QGZVFWFLSA-N 445.401 3.939 0 40 IHAB C[C@@H]1CCc2ccccc2N1CC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl 9549011 MCSKGBFMFLDGRI-MRXNPFEDSA-N 447.988 3.904 0 40 IHAB O=C([C@H]1CN(C(=O)Cc2ccc(-c3ccccc3)cc2)c2ccccc2O1)N1CCOCC1 9605487 GRWBNOAVLATGNU-RUZDIDTESA-N 442.515 3.549 0 40 IHAB COc1ccc(N(CC(=O)NCc2cccs2)S(=O)(=O)c2cccc(C)c2)cc1 9632674 OTXCVGKZDOCBAO-UHFFFAOYSA-N 430.551 3.577 0 40 IHAB Cc1cccc(COc2ccccc2C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)c1 9841001 KKZBMPOTHKUKNA-UHFFFAOYSA-N 431.444 3.945 0 40 IHAB C[C@@H]1CCN(C(=O)CN2C(=O)N[C@@](C)(c3cc(F)ccc3F)C2=O)c2ccccc2S1 9910339 MFAKDDTYHHXEGJ-DMZKTXOQSA-N 445.491 3.649 0 40 IHAB CCN(c1ccc(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1)S(C)(=O)=O 10008585 CACIHJDMVWHMFV-UHFFFAOYSA-N 443.569 3.787 0 40 IHAB CCOc1ccc(NC(=O)COc2coc(CN3CCc4ccccc4C3)cc2=O)cc1 10166354 RQHMWCGYDCVQDM-UHFFFAOYSA-N 434.492 3.614 0 40 IHAB Cc1cc(C)c2c(C)c(C(=O)N3CCN(S(=O)(=O)c4ccccc4F)CC3)sc2n1 10519512 WGPOJBCLULWGJF-UHFFFAOYSA-N 447.557 3.507 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)C1=Cc2cc(Br)ccc2OC1 10562698 JHDAZMXTHLKBTC-UHFFFAOYSA-N 444.253 3.860 0 40 IHAB COc1cc(C)c(C)cc1S(=O)(=O)NCCc1csc2nc(-c3cccs3)nn12 11025666 ROOQFOBSOAFTGR-UHFFFAOYSA-N 448.595 3.666 0 40 IHAB CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 11140069 CFTREWLMRDTFTQ-HXUWFJFHSA-N 431.895 3.999 0 40 IHAB CCc1cc2c(=O)n(CCc3ccc(OC)c(OC)c3)c(SCC(=O)OC)nc2s1 11307678 GOHULKRVDXCSRW-UHFFFAOYSA-N 448.566 3.545 0 40 IHAB COCCCn1c(=O)c2ccccc2n2c(SCCOc3c(C)cccc3C)nnc12 12046467 NGXKYWPXIKKAIF-UHFFFAOYSA-N 438.553 3.869 0 40 IHAB Cc1cc2cc(C(F)(F)F)nc-2n(CC2(O)CCN(C(=O)Cc3ccccc3)CC2)c1 12182338 OLRFSHCDQNFBQJ-UHFFFAOYSA-N 431.458 3.911 0 40 IHAB Cc1ccc(-n2c(S[C@H](C)C(=O)NC(=O)NCC(C)C)nnc2N2CCCCC2)cc1 12537409 RWKAOJXSWRKQEG-QGZVFWFLSA-N 444.605 3.528 0 40 IHAB CCS(=O)(=O)N1CCc2cc(C3=NN=C(Nc4ccc(C)c(C)c4)SC3)ccc21 12592754 VGQRCIPOECARLW-UHFFFAOYSA-N 428.583 3.935 0 40 IHAB CCn1c(CSc2nnc(C)s2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 12602087 IUNNETZROPMSHY-UHFFFAOYSA-N 437.616 3.683 0 40 IHAB CC(=O)c1cc2c(cc1NC(=O)CSc1nc(C3CC3)n(-c3ccccc3)n1)OCO2 12814104 RWDFVQQJDHLPIH-UHFFFAOYSA-N 436.493 3.807 0 40 IHAB CCN(CC)Cc1ccc(CNC(=O)c2nn(-c3ccc(Cl)cc3)c(C)cc2=O)cc1 12819461 SZFMEQPKSQVXIG-UHFFFAOYSA-N 438.959 3.966 0 40 IHAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(SC(F)(F)F)cc1 12923824 WIEOTMHDVQYIRZ-UHFFFAOYSA-N 430.473 3.752 0 40 IHAB CN1CCCN(C(=O)c2cccc(NC(=O)c3ccncc3)c2)c2nc3ccccc3nc21 12929743 PQOLZTUSLXNOBC-UHFFFAOYSA-N 438.491 3.764 0 40 IHAB CC(C)N(C(=O)COC(=O)C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F)C(C)C 12997770 BEKVZZKPVHVKGY-GOSISDBHSA-N 432.464 3.625 0 40 IHAB CCn1cc(C(=O)OCC(=O)c2cc(C)n(Cc3ccco3)c2C)c(=O)c2ccc(C)nc21 13137884 VHHWFXBGYRMUIA-UHFFFAOYSA-N 447.491 3.824 0 40 IHAB COc1ccc(CN(C)C(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)cc1 13146469 UDXWPBBYRZWIEU-QHCPKHFHSA-N 428.488 3.561 0 40 IHAB O=C(CCC1CCCCC1)N[C@@]1(C(F)(F)F)N=C(O)N(CCc2ccc(F)cc2)C1=O 13770596 BNYUVGKYJWFGBL-HXUWFJFHSA-N 443.441 3.860 0 40 IHAB COc1ccc(S(=O)(=O)N2CCN(Cc3csc(-c4ccccc4C)n3)CC2)cc1 14217925 WEEICGYMRUJKCZ-UHFFFAOYSA-N 443.594 3.634 0 40 IHAB Cc1sc2ncnc(N3CCC(C(=O)O[C@H](C)C(=O)N4CCC(C)CC4)CC3)c2c1C 14247813 SBWSUIMLOOSTBC-MRXNPFEDSA-N 444.601 3.715 0 40 IHAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)NCCc2ccc(Cl)cc2Cl)c1C 14360619 PROXZVXSXCRXLR-UHFFFAOYSA-N 441.311 3.631 0 40 IHAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CCN1C(=O)c3ccccc3C1=O)CC2 14670756 SSSPCNAXORGBNZ-VWLOTQADSA-N 442.515 3.948 0 40 IHAB COc1ccc(-n2c(SCC(=O)Nc3ncc(C)s3)nnc2-c2ccncc2)cc1 15019415 WOTRUPFZIBZKCH-UHFFFAOYSA-N 438.538 3.834 0 40 IHAB O=c1/c(=C/c2ccc(-c3ccc(F)cc3)o2)sc2nc([C@H]3COc4ccccc4O3)nn12 16742411 UHUZLLOFSXCZRB-GTBBCORBSA-N 447.447 3.610 0 40 IHAB COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4C)C(=O)[C@H]3ON2c2ccccc2)ccc1O 17781389 VZAFSPQRRKUHIT-ZRBLBEILSA-N 430.460 3.760 0 40 IHAB Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@H]2CCCN2C(=O)Cc2ccc(F)cc2)n1 19290214 IRBSXBQNVHZKGL-OAQYLSRUSA-N 434.519 3.523 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)N(C)Cc2ccccc2)c2ccccc2)cc1C 22377985 RXWIYRCFMTZDFK-UHFFFAOYSA-N 438.549 3.858 0 40 IHAB C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CN1CCN(Cc3ccc(Cl)s3)CC1)C2=O 23257517 UXGDXHGLGMPBEO-VFNWGFHPSA-N 439.025 3.613 0 40 IHAB CN(C[C@@H]1COc2ccccc2O1)C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 24651956 XNBHPSRWCMEKCZ-YADHBBJMSA-N 430.504 3.846 0 40 IHAB COc1ccc(CSc2nc3ccccc3c(=O)n2CCCN2CCOCC2)cc1F 25720629 OXSIXPCNXQNEOR-UHFFFAOYSA-N 443.544 3.559 0 40 IHAB O=S1(=O)C[C@@H]2N=C(SCc3cccc(Cl)c3)N(c3ccc(F)cc3F)[C@H]2C1 32640966 WFEXRLQTKGMXNJ-RDJZCZTQSA-N 428.913 3.893 0 40 IHAB O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)N1CCC[C@H]1c1cccs1 32721827 PTAACPWKHGKFAO-INIZCTEOSA-N 437.550 3.626 0 40 IHAB CCOc1cccc2cc([C@@H](C)NS(=O)(=O)c3ccc(N4CCCC4=O)cc3)oc12 32814208 VRYCBSXSINBDTH-OAHLLOKOSA-N 428.510 3.998 0 40 IHAB CCNC(=S)N1CCc2cc(OC)c(OC)cc2[C@H]1c1cc2cc(C)ccc2[nH]c1=O 35313563 MHZLFEGXQOFIFZ-QFIPXVFZSA-N 437.565 3.696 0 40 IHAB COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC2CCCC2)c(OC)cc1Br 35678598 HBBYUYGJQQMJMG-KRWDZBQOSA-N 439.306 3.580 0 40 IHAB Cc1ccc(C(=O)c2cnc3cc4c(cc3c2N2CCC(C(N)=O)CC2)OCO4)cc1C 36102772 ZLOUJSGKIHURQK-UHFFFAOYSA-N 431.492 3.513 0 40 IHAB CS(=O)(=O)N1CC[C@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)Oc2ccccc21 38850617 BFFDDYXSQOECJW-MRXNPFEDSA-N 448.850 3.915 0 40 IHAB Cc1cccc(-n2cc(C(=O)OCc3cc(=O)n4ccccc4n3)c3ccccc3c2=O)c1 44167221 OBXCEROMDGZSFC-UHFFFAOYSA-N 437.455 3.664 0 40 IHAB O=C(c1cc(-c2cccc3ccccc23)[nH]n1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 57413422 HJRWGPVJXBDBDJ-UHFFFAOYSA-N 440.503 3.917 0 40 IHAB CC[C@H]1CCCCN1C(=O)Cn1c(=O)n(-c2cccc(Cl)c2)c(=O)c2sccc21 57491421 FIIYYWZCINENAH-HNNXBMFYSA-N 431.945 3.658 0 40 IHAB COc1ccc(OC)c2c1CN(C(=O)Nc1ccc(-n3nc(C)cc3C)c(F)c1)C[C@H]2O 58370687 WPBDDQBVZVVJEX-LJQANCHMSA-N 440.475 3.727 0 40 IHAB O=C(Nc1ccc(Br)cn1)[C@H]1CC(=O)N(c2ccccc2Br)C1 59251006 ZDMLJLQBIFICKS-JTQLQIEISA-N 439.107 3.598 0 40 IHAB CSc1ccc([C@H]2NC(=O)N(CC(=O)Nc3c(C)cccc3C)C3=C2C(=O)OC3)cc1 71326839 RJMIATZBNGSSJI-OAQYLSRUSA-N 437.521 3.541 0 40 IHAB O=C(NCc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(-n2cccc2)cc1 72298225 QOAVCOKNYOSIPV-UHFFFAOYSA-N 438.534 3.665 0 40 IHAB COc1cc2c(cc1OC)[C@@H]1c3ccccc3N(CC(=O)NC3CCCC3)C(=O)N1CC2 72342066 TYVKCNVEFHOFSM-DEOSSOPVSA-N 435.524 3.650 0 40 IHAB COc1ccc(CCC(=O)Nc2ccc(-n3cc(Br)cn3)nc2)cc1OC 72401738 SYNIZWMBQQTLBI-UHFFFAOYSA-N 431.290 3.618 0 40 IHAB Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)[C@H](C)N3C(=O)NC4(CCCC4)C3=O)s2)cc1 78660886 LWTGXGCDSLCNEG-ZBFHGGJFSA-N 440.569 3.857 0 40 IHAB COc1ccc(CN2CCC3(CC2)C[C@H](CC(=O)N2CCN(C)CC2)c2ccccc23)cc1 96052940 DNRREPBVDHTBMY-QHCPKHFHSA-N 447.623 3.880 0 40 IHAB CC(C)[C@]1(O)O[C@](O)(c2ccc(F)cc2)[C@]2(c3ccccc3)O[C@@]12C(=O)Nc1ccccc1 100070403 NNEBPPHOMFPLDK-FXSWLTOZSA-N 449.478 3.649 0 40 IHAB in-vitro COc1ccc(-c2nc([C@H]3CC[C@H](CNC(=O)[C@@H]4CC=CCC4)CC3)[nH]c2C(N)=O)cc1 100687901 WKVQOWPBEOVDOR-NZSAHSFTSA-N 436.556 3.931 0 40 IHAB O=c1c2ccccc2nnn1C[C@H]1CC[C@H](C(=O)Nc2ccccc2Br)CC1 102674421 ASVPTQBYZJLOTK-GASCZTMLSA-N 441.329 3.999 0 40 IHAB CCOc1cc(C)ccc1OCc1nnc(SCC(=O)Nc2nc(C)cs2)n1C 108276712 MUAVHCOJFNXMLP-UHFFFAOYSA-N 433.559 3.597 0 40 IHAB CCOc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc1 138509213 QZNYBGNFXUOHEV-HNNXBMFYSA-N 430.888 3.582 0 40 IHAB CC(C)Oc1cccc(CCCNC(=O)[C@H](C)N(c2ccccc2F)S(C)(=O)=O)c1 220316436 QNPQICPPPOTGCI-KRWDZBQOSA-N 436.549 3.516 0 40 IHAB COc1ccc(C)cc1N([C@H](C)C(=O)NCCCc1ccc(Cl)cc1)S(C)(=O)=O 220342734 DVYLEPLYGXNLJI-MRXNPFEDSA-N 438.977 3.561 0 40 IHAB CC(C)c1ccc(CCCNC(=O)[C@@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 220463466 MWVXSEPFMIQBFE-MRXNPFEDSA-N 438.540 3.992 0 40 IHAB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](CC)N(c2cccc(C)c2)S(C)(=O)=O)c1 220518586 QFDBXIHHMUJDOI-HXUWFJFHSA-N 432.542 3.663 0 40 IHAB Cc1cccc(N(CCCC(=O)Nc2ccccc2C(=O)NC(C)C)S(C)(=O)=O)c1C 222631927 DBWGPKXUTCKBQY-UHFFFAOYSA-N 445.585 3.627 0 40 IHAB C[C@@H](COc1ccccc1)NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 223964629 JPCBMYCTOUBDSX-INIZCTEOSA-N 428.485 3.824 0 40 IHAB Cc1cc(C)c(C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C 224426536 RIFLWTILEWHAAC-UHFFFAOYSA-N 430.570 3.595 0 40 IHAB CC(C)c1ccccc1N(CCCC(=O)NCCOCc1ccccc1)S(C)(=O)=O 224839406 PCNOZGKWICZCIA-UHFFFAOYSA-N 432.586 3.689 0 40 IHAB COc1ccccc1N(CN1C(=O)[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)C(=O)c1ccccc1C 226399910 HZMFNTWEHUTWIU-PYKARKRHSA-N 442.515 3.661 0 40 IHAB S=C(NCc1cccc(CNC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)c1)N[C@H]1C[C@H]2CC[C@H]1C2 250122426 SWUWBRFMBUQOLC-RZKXRGRLSA-N 442.698 3.992 0 40 IHAB O=S(=O)(N[C@H](CCN1[C@H]2CC[C@H]1CC(Oc1nccs1)C2)c1ccccc1)C1CC1 252501309 UDSVTWUQTYEESQ-BBTUJRGHSA-N 447.626 3.731 0 40 IHAB CCN1CCN(CC(=O)NC2CCCCC2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O 257205793 BAOLORMYACKRSX-HSZRJFAPSA-N 448.611 3.520 0 40 IHAB CC(=O)Nc1ccc(C(=O)N2CCNC(=O)[C@H]2Cc2cccc(-c3cccc(F)c3)c2)cc1 257215669 CRDNWRCIOJAZKC-XMMPIXPASA-N 445.494 3.634 0 40 IHAB CCN(CC(=O)Nc1c(C)n[nH]c1C)[C@@H]1CCOC2(CCN(Cc3ccccc3)CC2)C1 257234606 GUIHMCZCRRALQT-JOCHJYFZSA-N 439.604 3.501 0 40 IHAB 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3.651 0 40 IHAB C[C@H](C(=O)O)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@H]([C@](C)(O)CO)[C@]4(CCC(=O)O4)C[C@H]3CC[C@@]12C 251981953 GFRDTMTUJTYIJJ-KWMICYDASA-N 436.589 3.775 0 40 IHAB biogenic,in-vitro Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)Nc1ccc(F)cc1F 408529793 JJJFLCZAZWIJHB-UHFFFAOYSA-N 446.475 3.769 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc(F)c3)C2)cc1Cl 408636000 OBDPHWASEUYKHW-CQSZACIVSA-N 440.924 3.917 0 40 IHAB COC(=O)c1ccccc1NC(=O)CSc1n[nH]c(-c2cc(Cl)ccc2OC)n1 408639460 XFXRWYZTNZAMSI-UHFFFAOYSA-N 432.889 3.651 0 40 IHAB Cc1ccc(C)c(N2C[C@@H](C(=O)OCC(=O)Nc3ccccc3C(F)(F)F)CC2=O)c1 408657817 PKHMSQBDFOLCKV-HNNXBMFYSA-N 434.414 3.857 0 40 IHAB Cc1cccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4C3=O)cc2)c1C 408669459 WDROQJAXRIYXRG-PTRHGPIFSA-N 446.503 3.634 0 40 IHAB CCc1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)cc1 408669537 WKRIUHONETZXKG-UHFFFAOYSA-N 434.492 3.973 0 40 IHAB COCCNC(=O)c1nc(-c2cccc(Cl)c2)n(-c2ccc(Br)cc2)n1 408692795 VPASMDPMHHWAOZ-UHFFFAOYSA-N 435.709 3.726 0 40 IHAB C[C@@H](CNC(=O)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1)c1ccccc1 408710381 ZTNFRYYVECAUFI-IBGZPJMESA-N 429.520 3.518 0 40 IHAB CCOc1cc(/C=C2/NC(=O)NC2=O)cc(Br)c1OCc1cccc(F)c1 409053953 FAEYEJOQHLYOJJ-OVCLIPMQSA-N 435.249 3.746 0 40 IHAB CCn1c(CNC(=O)c2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(Cl)cc1 409330069 KEGJVHMITDSMJP-UHFFFAOYSA-N 443.960 3.921 0 40 IHAB C[C@H](NC(=O)c1ccccc1Cl)c1nnc(SCC(=O)Nc2ccccc2F)n1C 409341358 ACTYXEQSVAOVFO-LBPRGKRZSA-N 447.923 3.829 0 40 IHAB Cn1c(CSCc2ccc(F)cc2)nnc1SCC(=O)NCCc1ccccc1 409365272 ZJGCHBKTVWQLMB-UHFFFAOYSA-N 430.574 3.839 0 40 IHAB O=C(Nc1cccc(C(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1)c1cccnc1 523177581 BNSRFRDNJSEYJT-UHFFFAOYSA-N 446.482 3.964 0 40 IHAB O=C([C@H]1COCCN1)N1CCC(c2cccc(Nc3ncc(-c4ccccc4)s3)n2)CC1 585262892 CLNQFGVJWRCZLX-HXUWFJFHSA-N 449.580 3.643 0 40 IHAB Cc1ncsc1CCOc1ccc(CN2C[C@H](O)[C@@H](Oc3cccc(F)c3)C2)cc1 585268807 DHKIMWMJTPXNBX-VXKWHMMOSA-N 428.529 3.836 0 40 IHAB Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1 1622249255 COSGRYGHNWFZAH-DOTOQJQBSA-N 427.975 3.667 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccnc2)c2cc(Cl)ccc2C)cc1 886927 PIUZHEMPXNRESP-UHFFFAOYSA-N 443.956 3.864 0 40 IHAB COC(=O)c1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCOC(C)C)cc1 2448668 ILYVIKPJKKVIBF-NRFANRHFSA-N 435.476 3.940 0 40 IHAB CCOC(=O)c1c(NC(=O)[C@H](C)Sc2nnc3ccccn23)sc2c1CCCC2 3281957 UUGKRGGBCYJUCN-LBPRGKRZSA-N 430.555 3.966 0 40 IHAB O=C(CSc1nnc(C2CC2)n1-c1ccccc1)N1CCN(c2ccc(F)cc2)CC1 3356839 BVRJLEXCFWLAQG-UHFFFAOYSA-N 437.544 3.725 0 40 IHAB CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(Cc3cn4cccc(C)c4n3)CC2)cc1 6657902 CZDYZXQGZXWBKR-SFHVURJKSA-N 426.586 3.663 0 40 IHAB CSc1ccccc1NC(=O)CN(C)CC(=O)N1CCC(Cc2ccccc2)CC1 7191766 ZSECNQQGJFTOJJ-UHFFFAOYSA-N 425.598 3.760 0 40 IHAB COc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2cccnc2)N2NC=NC2=N3)c(OC)c1 8657486 NSMKBMROFDEPDB-DNQXCXABSA-N 439.475 3.903 0 40 IHAB O=C([C@H]1CN(C(=O)CSc2nc3ccccc3o2)c2ccccc2O1)N1CCCCC1 9048176 HCORFJYTFUWFBR-HXUWFJFHSA-N 437.521 3.727 0 40 IHAB COc1ccccc1CCNC(=O)[C@H]1CCc2sc(NC(=O)c3ccc(F)cc3)nc21 9131542 KBIVZEAFTPGJPI-KRWDZBQOSA-N 439.512 3.932 0 40 IHAB CCCOc1cccc([C@H]2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2CCN(C)C)c1 9328355 OAKIGROXORGDSA-QFIPXVFZSA-N 436.508 3.697 0 40 IHAB Cc1cccc(CN2C(=O)[C@](O)(CC(=O)c3ccc4c(c3)OCCO4)c3ccccc32)c1 9487649 CCLDIIVDDBKYBP-SANMLTNESA-N 429.472 3.774 0 40 IHAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1nc(-c2ccc(F)cc2)cs1 9716109 GCVZTXNJHDSDRK-LJQANCHMSA-N 445.541 3.664 0 40 IHAB COc1ccc(N([C@@H](C)C(=O)N[C@H](C)CCc2ccccc2)S(C)(=O)=O)cc1Cl 10328756 IARZHWAVSVYDOV-CVEARBPZSA-N 438.977 3.641 0 40 IHAB O=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N1CC=C(c2c[nH]c3ccccc23)CC1 11073756 NZOOGFJKSSPNJE-UHFFFAOYSA-N 449.576 3.885 0 40 IHAB CCOC(=O)CCCNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1 11196605 HBHVRTSIBQHPIC-UHFFFAOYSA-N 438.553 3.794 0 40 IHAB Cc1cc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)s3)C2)n(C(C)C)n1 11695207 AMDAMFUPFOUPHN-ZDUSSCGKSA-N 430.983 3.527 0 40 IHAB COc1ccc(Cl)cc1C(=O)Nc1cc(-c2cccs2)nn1-c1nc(C)cc(=O)[nH]1 11854400 WETSUSZUKAMFQM-UHFFFAOYSA-N 441.900 3.907 0 40 IHAB CCOC(=O)[C@@H]1[C@@H](c2cccc(Oc3ccccc3)c2)NC(=O)N(C)[C@@]1(O)C(F)(F)F 11859199 ZSZKOKPABFKBKF-QKLQHJQFSA-N 438.402 3.605 0 40 IHAB CCCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)Cc3ccccc3Cl)cc21 12180645 STLASTOABLQGMD-UHFFFAOYSA-N 442.990 3.774 0 40 IHAB CCC(=O)N1C(=O)[C@@]2(SCC(=O)N2c2ccc(Br)cc2)c2ccccc21 12418290 MQUOJYNJXUTROO-IBGZPJMESA-N 431.311 3.665 0 40 IHAB CCN(CC(=O)Nc1ccccc1C(=O)c1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 12852949 PFPNZOVNYQNPBZ-UHFFFAOYSA-N 440.503 3.615 0 40 IHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NC2CCN(C(C)C)CC2)cc1 12947493 QMJVOFANWZJRRI-UHFFFAOYSA-N 429.586 3.504 0 40 IHAB Cc1ccc(C)c(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)o2)c1 13829319 GMMAHJCJIRRMEU-UHFFFAOYSA-N 440.525 3.780 0 40 IHAB O=C(Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2ccccc21)Nc1ccccc1Cl 13992329 DMLPJJJUHLAAFK-UHFFFAOYSA-N 437.858 3.643 0 40 IHAB COc1ccc(C2=NN(C(=O)CN(C)Cc3ccc4c(c3)OCO4)[C@H](c3ccco3)C2)cc1 14128691 GQZYAQFJNXSCGX-NRFANRHFSA-N 447.491 3.827 0 40 IHAB O=C(CCn1c(S)nnc1-c1cccs1)NCc1ccccc1CN1CCCCC1 14701614 PBTLYSFTHAHRJQ-UHFFFAOYSA-N 441.626 3.988 0 40 IHAB COCCCN1C(=O)c2ccc(C(=O)Nc3nc4ccc(Cl)cc4s3)cc2C1=O 16004576 PCOGJEMGTUMIKA-UHFFFAOYSA-N 429.885 3.835 0 40 IHAB O[C@@H](COCc1ccccc1Cl)CN(CCCN1CCOCC1)Cc1cccs1 16043576 WFSYPFPGNPDUTF-HXUWFJFHSA-N 439.021 3.504 0 40 IHAB CS(=O)(=O)NCCc1ccc(C(=O)NCCC(c2ccccc2)c2ccccc2)cc1 16229894 GFXMVEXGZKVFOE-UHFFFAOYSA-N 436.577 3.730 0 40 IHAB CC(C)Oc1cccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)c1 16609402 FNIFZIFAHMNCQN-LBPRGKRZSA-N 431.583 3.886 0 40 IHAB Cc1cc(-c2cnc(N(C)C)nc2[C@H]2CCCN2C(=O)COc2c(C)cccc2C)on1 19236045 KYPRVDYQYAUYST-LJQANCHMSA-N 435.528 3.865 0 40 IHAB CC(C)c1ccccc1OCC(=O)N1CCC[C@@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 19453360 HUPPEVUHAXDXDD-BPQIPLTHSA-N 433.503 3.710 0 40 IHAB CCN1CCN(C(=O)c2cnn(C)c2C)C[C@@H](Cc2cccc(-c3ccc(F)cc3)c2)C1=O 19527474 XJWWCBVDSYRAGU-JOCHJYFZSA-N 448.542 3.698 0 40 IHAB CCNC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CCCN(C(=O)c2cccnc2N)C1 19528683 RLNYVMNJGICGQV-MHZLTWQESA-N 442.563 3.932 0 40 IHAB COc1cc(CN2CCN(C)C(=O)[C@H](Cc3cccc(-c4cccnc4)c3)C2)cc(OC)c1 19589544 OKUOJKAVLZKNAQ-XMMPIXPASA-N 445.563 3.899 0 40 IHAB CCOc1ccccc1Cc1ccc([C@@H]2CN(Cc3cnc(N(C)C)nc3)CCO2)nc1 19692347 WMJVCDPFDWEJSU-DEOSSOPVSA-N 433.556 3.501 0 40 IHAB CNc1nc([C@@H]2CCCN2C)nc2c1CCN(C(=O)C1(c3cccc(F)c3)CCCC1)C2 19707390 DPJVZEXSQOYVMB-NRFANRHFSA-N 437.563 3.821 0 40 IHAB COc1ccccc1CNC(=O)c1cn(C)nc1CC1CCN(C[C@@H]2CC=CCC2)CC1 19756708 FWCZTUNOLRGDMF-OAQYLSRUSA-N 436.600 3.970 0 40 IHAB CCOCCCNC(=O)c1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)c1ccc(Cl)cc1 20448727 MOGGCJZVZKAKID-OAHLLOKOSA-N 436.961 3.636 0 40 IHAB NC(=O)c1cc(-c2ccccc2)sc1NC(=O)CS(=O)(=O)c1ccc(Cl)cc1 21000878 ABIAKQFHDLLJRU-UHFFFAOYSA-N 434.926 3.580 0 40 IHAB CCCc1c(C(=O)OCC)nnc2c(-c3ccc(Br)cc3)c(COC)nn12 21006175 GPPTZVWCCUFPLD-UHFFFAOYSA-N 433.306 3.829 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(C(=O)OCc2cccc(C(=O)OC)c2)ccc1Cl 21276580 OBCKGVTVNDVRGE-UHFFFAOYSA-N 439.917 3.514 0 40 IHAB COc1cccc(OCc2nnc(SCC(=O)O[C@@H]3C[C@H](C)CC[C@@H]3C(C)C)n2N)c1 22282761 LVBDFRAGZDWISB-ATZDWAIDSA-N 448.589 3.676 0 40 IHAB O=C(CN1CCN(Cc2nc(-c3cccc(Cl)c3)no2)CC1)Nc1ccccc1Cl 22914526 BFVGCZUDVQSBGD-UHFFFAOYSA-N 446.338 3.800 0 40 IHAB Cc1ccc(OCCOC(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)cc1 23078682 CIPGLERDNUSRIQ-UHFFFAOYSA-N 431.554 3.635 0 40 IHAB CCOC(=O)N1CCN([C@@H](c2ccc(C(C)C)cc2)c2sc3nc(C)nn3c2O)CC1 23157209 QVPQZNOBNQEQRG-SFHVURJKSA-N 443.573 3.792 0 40 IHAB CCn1c(SCC(=O)Nc2ccc3c(c2)OCCCO3)nnc1-c1ccc(OC)cc1 23537696 JHQRJDDTODRZGE-UHFFFAOYSA-N 440.525 3.866 0 40 IHAB COc1ccc(NC(=O)CN(C)C(=O)c2c(C)nn(Cc3ccc(C)cc3)c2Cl)cc1 24815616 XSUYRXVUPJCNMZ-UHFFFAOYSA-N 440.931 3.921 0 40 IHAB Cc1sc2nc(CSCC(=O)NCCc3c[nH]c4ccccc34)[nH]c(=O)c2c1C 27489511 AXOIDBASNSTEER-UHFFFAOYSA-N 426.567 3.675 0 40 IHAB CC(C)Oc1ccc(C(=O)Nc2nnc(S(=O)(=O)Cc3ccccc3F)s2)cc1 27748977 IABBGWZCVWUMKG-UHFFFAOYSA-N 435.502 3.691 0 40 IHAB O=C(N[C@@H]1CCN(Cc2ccccc2)C1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 32986403 DXEGFKLXGSXYJP-JOCHJYFZSA-N 425.960 3.583 0 40 IHAB COc1ccc2c(c1)cc(C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ncc(C)s1)n2C 35686264 WIXSOCBVJZKTON-LJQANCHMSA-N 448.548 3.932 0 40 IHAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 36708433 JGENJBHFHQNCIC-HXUWFJFHSA-N 435.549 3.612 0 40 IHAB COc1cc(C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)cc(OC)c1Br 40072039 DWARJVTWKHNNRF-HNNXBMFYSA-N 449.301 3.836 0 40 IHAB COC(=O)c1nc2n(n1)[C@H](c1ccc(Cl)cc1)C(C(=O)OC1CCCCC1)=C(C)N2 44859718 ZECFAKUEZWQVNI-QGZVFWFLSA-N 430.892 3.883 0 40 IHAB COC(=O)c1c(NC(=O)c2cc(-c3ccc(OC)c(OC)c3)on2)sc2c1CCC2 46086526 BSEJZWBRBCNYPM-UHFFFAOYSA-N 428.466 3.948 0 40 IHAB COc1cccc(-n2nnc(C(=O)NCc3ccc(SC)cc3)c2-c2ccncc2)c1 49003455 NWGKPRNPADYWBP-UHFFFAOYSA-N 431.521 3.990 0 40 IHAB O=C(CN1CN(c2cccc(F)c2)c2ncccc2S1(=O)=O)Nc1ccccc1Cl 49411504 DZYGTTZZXQRYBK-UHFFFAOYSA-N 446.891 3.613 0 40 IHAB CCN(C(=O)Cn1c(=O)n(Cc2ccc(C)c(C)c2)c(=O)c2sccc21)c1ccccc1 57426936 AEMMEZGUURBSKX-UHFFFAOYSA-N 447.560 3.943 0 40 IHAB CC(C)CCc1nc(CS(=O)(=O)[C@H](C)C(=O)N[C@H]2CCOc3ccccc32)cs1 60104125 HSFWLAODUAAHDC-QAPCUYQASA-N 436.599 3.675 0 40 IHAB Cc1noc(-c2ccnc(-n3cnc(C(=O)NCc4cccc(C(F)(F)F)c4)c3)c2)n1 71768372 XUCWXVLZZMZBLS-UHFFFAOYSA-N 428.374 3.575 0 40 IHAB COc1ccccc1CNC(=O)c1cn(-c2cc(-c3nc(C(C)(C)C)no3)ccn2)cn1 71768390 CBTNAXJMYYPETE-UHFFFAOYSA-N 432.484 3.553 0 40 IHAB CC(C)OCCOC[C@@H](O)CN(C)C(=O)c1sc(-c2ccco2)nc1-c1ccccc1 72310423 QGLCMTYXLWKIGT-SFHVURJKSA-N 444.553 3.945 0 40 IHAB Cc1cccc(C)c1NC(=O)CN1CCN(c2cc(-c3nc(C(C)C)no3)ccn2)CC1 78903596 BOUGRAJDSNOHGX-UHFFFAOYSA-N 434.544 3.633 0 40 IHAB O=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1cccc2c1CN(c1ccccn1)C2 89883839 NISPMTMEBJRWFB-UHFFFAOYSA-N 427.913 3.668 0 40 IHAB CCOC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N(CC)C(=O)[C@H](C)S(=O)(=O)C(C)C 89960798 JKSPPFLYESLBCL-BLLLJJGKSA-N 438.373 3.658 0 40 IHAB Cc1cc(C(=O)N2CCC3(CC2)C[C@H](CC(=O)N2CCN(C)CC2)c2ccccc23)c(C)o1 96242249 VVZIWJWZDYAASD-NRFANRHFSA-N 449.595 3.722 0 40 IHAB O=C(Cn1cccc1-c1nc(-c2ccccc2)no1)N1CCN(c2ccccc2F)CC1 98211356 WRJBGOQHXZBMPK-UHFFFAOYSA-N 431.471 3.693 0 40 IHAB CCC(=O)N1CCc2c(nc3cc([C@@H]4CCCCN4Cc4cccs4)nn3c2O)C1 100234111 VXYQSMNOBRDWDP-IBGZPJMESA-N 425.558 3.518 0 40 IHAB O=C(COc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)NC[C@H]1CC[C@H](C(=O)O)CC1 101224630 ZTDFTQFFTKHPSX-OKILXGFUSA-N 447.915 3.711 0 40 IHAB Cc1ccc(Oc2ccc(N3C[C@@H](C(=O)OCC(=O)Nc4cc(C)on4)CC3=O)cc2)cc1 138659227 ULWRAHAOAINVSI-KRWDZBQOSA-N 449.463 3.619 0 40 IHAB Cn1c(=O)oc2ccc(S(=O)(=O)N3CCS[C@@H](c4ccccc4Cl)CC3)cc21 207001717 ZDWXGQJCLCPHIS-GOSISDBHSA-N 438.958 3.654 0 40 IHAB COc1cccc(CCCNC(=O)CN2c3ccccc3-c3ccccc3S2(=O)=O)c1 219154007 RHOUXJARVYCNPS-UHFFFAOYSA-N 436.533 3.620 0 40 IHAB CC[C@H](C(=O)NCCCc1ccccc1Cl)N(c1ccc(OC)cc1)S(C)(=O)=O 220652659 BMQIDHLSAXQJMP-HXUWFJFHSA-N 438.977 3.642 0 40 IHAB O=C(NCCOc1cccc2ccccc12)c1ccc(CS(=O)(=O)N2CCCC2)cc1 223559898 IPBDLDXHAXQLQB-UHFFFAOYSA-N 438.549 3.574 0 40 IHAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc2c(c1)OCO2 224844308 GIAXIDPZTKKGFZ-INIZCTEOSA-N 430.932 3.945 0 40 IHAB CCOc1ccccc1N(CCCC(=O)Nc1ccc(N2CCCC2)cc1)S(C)(=O)=O 224932875 GQTYSKSWSLWHFN-UHFFFAOYSA-N 445.585 3.870 0 40 IHAB Cc1ccc(N(CC(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)S(C)(=O)=O)c(C)c1 225138558 TWQTYQOLGLDSRG-UHFFFAOYSA-N 447.582 3.665 0 40 IHAB CCn1c(=O)sc2cc(S(=O)(=O)N[C@H]3CC(C)(C)Oc4ccc(OC)cc43)ccc21 225697493 RLXHZFMRYUGAFR-INIZCTEOSA-N 448.566 3.672 0 40 IHAB CC1CCN(c2cc(N3CCCC3)nc(NC(=S)NCc3ccc(F)cc3)n2)CC1 225947085 PYDZUGKQRDKMBX-UHFFFAOYSA-N 428.581 3.939 0 40 IHAB COc1ccc(Cl)cc1C(=O)N1CCC(Cc2n[nH]c(=O)n2-c2ccccc2C)CC1 240104293 UOSZPFYVMGMYOR-UHFFFAOYSA-N 440.931 3.626 0 40 IHAB COC(C)(C)C(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N(C)Cc2ccccc2)C1 257228765 FVDOXYHCLKPFKA-GMAHTHKFSA-N 438.568 3.756 0 40 IHAB Cc1ccc2nc(C(=O)N3CCC[C@@H](CC(=O)Nc4ccc5nc(C)[nH]c5c4)C3)cn2c1 257243798 IIOXMPOQNRVXDH-KRWDZBQOSA-N 430.512 3.708 0 40 IHAB O=C1NCCN(C(=O)c2nc3ccc(F)cc3[nH]2)[C@@H]1Cc1ccccc1-c1ccc(F)cc1 257260937 LFDPLPFRBWYZKM-JOCHJYFZSA-N 446.457 3.691 0 40 IHAB Cc1ccc(N2C[C@@H](C(=O)Oc3ccc(N4C(=O)c5ccccc5C4=O)cc3)CC2=O)cc1 408638162 BMJPATNQVRPVFR-KRWDZBQOSA-N 440.455 3.754 0 40 IHAB O=C(COC(=O)CCCCCN1C(=O)c2ccccc2C1=O)Nc1ccccc1Cl 408650991 ALEQFSRRTWUNHZ-UHFFFAOYSA-N 428.872 3.678 0 40 IHAB COc1ccc(C(=O)N2CCc3ccccc3C2)cc1S(=O)(=O)NC1CCCCC1 408674953 FJUBPRATLUMBTI-UHFFFAOYSA-N 428.554 3.505 0 40 IHAB CC(C)(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1 409191292 USRSSEMJXGYZRD-UHFFFAOYSA-N 441.347 3.543 0 40 IHAB O=C(CN1CCN(c2cccc(Cl)c2)C1=O)N1CCC[C@@H](Oc2ccncc2Cl)C1 585336998 OYHVEMDCGLJCDQ-QGZVFWFLSA-N 449.338 3.700 0 40 IHAB O=C1NC(=O)C2(CCC(C(=O)Nc3ccc4nc(-c5ccccc5Cl)[nH]c4c3)CC2)N1 603546278 LEVZKFOLGPGYPN-UHFFFAOYSA-N 437.887 3.590 0 40 IHAB Nc1nc(-c2ccccc2)c2n1NC(=O)[C@H](CC(=O)Nc1ccc(Cl)c(Cl)c1)C2 618256142 FIHXQJAHEANSIZ-LBPRGKRZSA-N 430.295 3.710 0 40 IHAB CCNc1nc(NCC)nc(SCCOC(=O)COc2ccc(Cl)cc2Cl)n1 2269438 ROMVONNLUUTGEF-UHFFFAOYSA-N 446.360 3.756 0 40 IHAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)O[C@@H]2CCCCC2=O)c1 2634694 MTWNMKHYUYDQBY-HXUWFJFHSA-N 435.929 3.829 0 40 IHAB CCOC(=O)[C@@H]1[C@@H]2NC(=S)N(c3ccc(F)cc3)[C@@]1(C)Oc1c(OCC)cccc12 2687298 UKBLHBSJXGUZNM-SVMVAKDDSA-N 430.501 3.948 0 40 IHAB CCN1C(=O)[C@H](CC(=O)Nc2ccc(Cl)cc2)N(Cc2ccc(OC)cc2)C1=S 2730082 AJIROMGQGCWMQY-SFHVURJKSA-N 431.945 3.695 0 40 IHAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc2nc(SC)sc2c1 3412915 XQABGOHZPCZNQF-KRWDZBQOSA-N 447.607 3.733 0 40 IHAB CCSc1nnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)s1 3517116 HNQBJARBKSGHEZ-UHFFFAOYSA-N 447.007 3.730 0 40 IHAB COC(=O)c1c(NC(=O)CSc2nnc(Cc3ccccc3)o2)sc2c1CCC2 8925031 LPJBCMFDYRICMG-UHFFFAOYSA-N 429.523 3.728 0 40 IHAB Cc1c(NC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)ccc(Br)c1Cl 9371574 FXYRSQAJIBBWAD-CJXOWJITSA-N 439.737 3.771 0 40 IHAB O=S(=O)(Nc1ccc2c(c1)ncn2CCc1ccccc1)c1ccc2c(c1)OCCO2 9409824 VYSRURYMLNMVHA-UHFFFAOYSA-N 435.505 3.851 0 40 IHAB CCOC(=O)Cn1cnc2c(sc3nc(-c4ccco4)c4c(c32)CC(C)(C)OC4)c1=O 9423376 SSAXYIKJHOPTBW-UHFFFAOYSA-N 439.493 3.681 0 40 IHAB COc1ccccc1NS(=O)(=O)c1ccc2oc(SCC(=O)c3ccc[nH]3)nc2c1 9468136 QCVFRSZVGVGFEX-UHFFFAOYSA-N 443.506 3.940 0 40 IHAB O=C(COc1ccc2c(c1)CCC2)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 9588957 HVOWYGXPRLGPNU-UHFFFAOYSA-N 444.487 3.852 0 40 IHAB CCn1c(S[C@H](C)C(=O)c2c(C)[nH]c3ccccc23)nc2cc(S(N)(=O)=O)ccc21 9645713 WZFWIEVPVURWLV-CYBMUJFWSA-N 442.566 3.857 0 40 IHAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)/C=C/c1ccc(Cl)c(Cl)c1 9791593 QHGVBPYUXQXODO-WEVVVXLNSA-N 429.325 3.904 0 40 IHAB CCNC(=O)NC(=O)[C@@H](Sc1nnc(C2CC2)n1Cc1ccccc1)c1ccccc1 9872685 DSMOVAWCBZXSOJ-IBGZPJMESA-N 435.553 3.883 0 40 IHAB CCCC(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 9907372 RANHMYHSNHASKS-UHFFFAOYSA-N 429.542 3.852 0 40 IHAB Cc1c([C@@H]2c3ccccc3C(=O)N2CC(=O)NCCCOC(C)C)c2ccccc2n1C 9934483 MOFRIGCPXOHZDZ-VWLOTQADSA-N 433.552 3.963 0 40 IHAB CCOc1ccccc1CCCNC(=O)[C@@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 10110986 AVHYFALLEIPYMS-LJQANCHMSA-N 432.586 3.606 0 40 IHAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC(NS(=O)(=O)c2ccccc2)CC1 10381662 HMRNCIPFBPMMPB-UHFFFAOYSA-N 428.341 3.968 0 40 IHAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 10971967 UNIVTLIREBHSFL-HOTGVXAUSA-N 449.454 3.642 0 40 IHAB CC(=O)Nc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccco2)c1 11122076 CXQZDRILOFWEDA-UHFFFAOYSA-N 448.504 3.727 0 40 IHAB CN(CCCC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)S(=O)(=O)c1cccs1 11969308 HBFZDOADKKMTMF-UHFFFAOYSA-N 436.555 3.829 0 40 IHAB CCn1c(=O)oc2cc(S(=O)(=O)N[C@@H](Cc3ccsc3)c3ccc(C)cn3)ccc21 12229421 KVOKNXPTJSBSMH-SFHVURJKSA-N 443.550 3.642 0 40 IHAB O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc(Cl)c(C(F)(F)F)c1 12553388 SCWYUPAMZLCWJQ-UHFFFAOYSA-N 449.834 3.933 0 40 IHAB C[C@H]1c2ccsc2CCN1C(=O)CCn1cnc2ccc(Br)cc2c1=O 12755012 YPEDWMWNXVGEGO-LBPRGKRZSA-N 432.343 3.757 0 40 IHAB COC(=O)c1ccc2c(=O)n(C[C@H](C)O)c(SCc3ccc(F)cc3Cl)nc2c1 12776119 HYUFZFFMFHWPGS-NSHDSACASA-N 436.892 3.649 0 40 IHAB CCCN(Cc1nnc(-c2cccs2)o1)[C@H](C(=O)N1CCOCC1)c1ccccc1 12983812 JZUWDAPZMDTMSI-FQEVSTJZSA-N 426.542 3.610 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N1c2ccccc2C[C@@H]1C 13669694 POWPXTGATIQJDR-KRWDZBQOSA-N 428.554 3.851 0 40 IHAB O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 13682935 VPYNFECTYSFPSG-ZBQZNYHESA-N 445.412 3.840 0 40 IHAB CC(C)n1cc[n+](-c2nc3ccccc3nc2NS(=O)(=O)c2ccc(Cl)cc2)c1 13810214 QRWLYARCWUSCMI-UHFFFAOYSA-N 428.925 3.743 0 40 IHAB O=S(=O)(c1ccc(Br)cc1Cl)N1CCC[C@@H]1c1nnc2ccccn12 14189202 MNNUPMFNEPCQMC-CYBMUJFWSA-N 441.738 3.671 0 40 IHAB O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 15435019 NEEFNKIZALBCJL-MRXNPFEDSA-N 429.325 3.703 0 40 IHAB Cc1nc2ncnn2c(C)c1CCC(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1Cl 16107440 WWFKHCHALDNMML-IBGZPJMESA-N 443.935 3.526 0 40 IHAB O=C(/C=C/c1ccccc1)N1CCC(C(=O)N(Cc2ccncc2)Cc2cccnc2)CC1 16681141 ZQNCRWHUUDKIRH-CMDGGOBGSA-N 440.547 3.957 0 40 IHAB CCOc1ccc([C@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CCO)cc1OCC 16751298 YPTSKYNPNPKDSW-NRFANRHFSA-N 437.492 3.745 0 40 IHAB Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H](N5CCC[C@@H](CO)C5)C4=O)cc3)sc2c1 17166671 ARPPWDFZLBIMCX-UZLBHIALSA-N 435.549 3.608 0 40 IHAB COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 18205937 KJVGAKSWUZWNON-ZLNRFVROSA-N 430.460 3.755 0 40 IHAB COc1cccc(CN2CCC[C@@H](c3nn(C)cc3-c3ccnc(N4CCCC4)n3)C2)c1 19290175 XAEAPUYVSFWOIL-HXUWFJFHSA-N 432.572 3.866 0 40 IHAB NC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)CCc2ccccc2)CCO1 19370837 XNZLKQHDVROJGS-MHZLTWQESA-N 428.532 3.612 0 40 IHAB CCNC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)Cc2ccccn2)C1 19528919 AMZXFYMIUSBAIS-MHZLTWQESA-N 427.548 3.889 0 40 IHAB COc1cccc(C(=O)N2CCCC[C@@H]2c2nc(O)c3c(n2)CN(C2CCCC2)CC3)c1 19564516 VQPBJFAZJMYIQG-JOCHJYFZSA-N 436.556 3.859 0 40 IHAB CNc1cc(C2CCN(C(=O)COc3ccc(F)cc3F)CC2)nc(-c2cccnc2)n1 19592220 QBVMLNWVJZUIQN-UHFFFAOYSA-N 439.466 3.644 0 40 IHAB CCN(CC(=O)Nc1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(OC)c(C)c1 19929700 WISHHOXWZZKPFK-UHFFFAOYSA-N 431.341 3.960 0 40 IHAB Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccccc2)c(C)c1 19931312 JKXHHYLPEDWATO-QHCPKHFHSA-N 436.577 3.818 0 40 IHAB Cc1cccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(F)cc2)c1C 20007733 SGOQBRQNDYBOMO-QFIPXVFZSA-N 426.513 3.971 0 40 IHAB COc1cc(OC)c(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1Cl 21346211 LVNBBIZPWNQNLQ-QGZVFWFLSA-N 438.933 3.539 0 40 IHAB CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc3c(c2)OCCO3)CC1 21576540 ZVFZYINSGAXGBC-UHFFFAOYSA-N 443.931 3.812 0 40 IHAB CCn1nnnc1NCc1cc(Br)c(OCc2ccccc2F)c(OC)c1 22111932 MAZKYILGNLYAGU-UHFFFAOYSA-N 436.285 3.794 0 40 IHAB COC(=O)c1ccc(NC(=O)[C@H]2CCCN(c3ccc(-c4ccc(OC)cc4)nn3)C2)cc1 23142696 BAUNVZYWFJIAEW-IBGZPJMESA-N 446.507 3.794 0 40 IHAB O=C(c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)N1CCC[C@H](C(F)(F)F)C1 24183652 LENXLUBCSXPFLR-ZDUSSCGKSA-N 438.899 3.929 0 40 IHAB Cc1[nH]c2ccc(F)cc2c1CC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 24536966 CJYIPPVIBNPXTK-UHFFFAOYSA-N 429.517 3.971 0 40 IHAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCCNC(=O)c1ccc(C(F)(F)F)cc1 27241111 BNSWAVAVIKTFFV-FQEVSTJZSA-N 445.441 3.516 0 40 IHAB COc1ccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2ccc3c(c2)OCO3)cc1 28528003 WZOFUQRSTFQRQK-UHFFFAOYSA-N 435.484 3.981 0 40 IHAB CC(C)(C)c1cn2nc(N3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)sc2n1 29587933 AYGTYQVIDYYJCU-UHFFFAOYSA-N 427.530 3.672 0 40 IHAB COc1ccc(CCC2CCN(CC(=O)N3CCN(c4ccc(F)cc4)CC3)CC2)cc1 32858130 JUCYQDXHTMUBJU-UHFFFAOYSA-N 439.575 3.828 0 40 IHAB CCOC(=O)C1=C(C)NC(Sc2nc(C)cc(CNC)c2C#N)=N[C@@H]1c1ccccc1 33525364 HLLNGRHEVCDFMQ-HXUWFJFHSA-N 435.553 3.611 0 40 IHAB O=C(NC1CCCCC1)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCC2 35897639 PASIKBWVDYKATA-OBQMCUGOSA-N 428.554 3.761 0 40 IHAB O=C(CN1CCN(C(=O)c2ccccc2)CC1)N[C@@H](Cc1ccccc1)c1ccccc1 36447667 RUOLEVZEGSMMDR-VWLOTQADSA-N 427.548 3.545 0 40 IHAB COc1ccc2c(c1)c(C(=O)Cn1nc(-c3ccc(F)cc3OC)ccc1=O)c(C)n2C 40287324 VGJVVBJMMXRHKL-UHFFFAOYSA-N 435.455 3.750 0 40 IHAB COc1ccc(-c2nnc3sc(NC(=O)COc4ccc(C)cc4C)nn23)cc1OC 41076492 PGDATKDJMUMZAW-UHFFFAOYSA-N 439.497 3.504 0 40 IHAB O=C(c1cc(Cl)ccc1Cl)N1CCN(C(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCO3)CC1 42382344 NGZCDNBKHAPCHL-HOTGVXAUSA-N 447.318 3.810 0 40 IHAB COc1cc(NC(=O)NCC2CCN(C(=O)c3ccccc3F)CC2)cc(OC)c1OC 44006941 DPQMGPOYKZIQJR-UHFFFAOYSA-N 445.491 3.525 0 40 IHAB Cc1ccc(CNC(=O)C2CCN(Cn3c(=O)oc4ccc(Cl)cc43)CC2)cc1F 48288960 OZDSYGGSXIOAFP-UHFFFAOYSA-N 431.895 3.681 0 40 IHAB CCn1c(CN(C)Cc2ccccc2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 58146789 DZBYIYNWKRZBMM-UHFFFAOYSA-N 426.586 3.863 0 40 IHAB Cc1c(Cl)cccc1NC(=O)COC(=O)CCS(=O)(=O)c1ccc(Cl)cc1 61183917 UMIFJQIHEULDAH-UHFFFAOYSA-N 430.309 3.648 0 40 IHAB O=C(COCCOc1ccccc1)N1CCCN(C(=O)Nc2ccc(Cl)cc2)CC1 72273203 KWANDYZBEJTGKX-UHFFFAOYSA-N 431.920 3.502 0 40 IHAB Cc1c(C(=O)NCc2nc3ccccc3n2C)sc2nc(Cc3ccccc3)nc(N)c12 72289561 OBXSZBLRMGOZKH-UHFFFAOYSA-N 442.548 3.989 0 40 IHAB Cc1cc(C(=O)NC2CCN(c3ccccc3)CC2)ccc1NS(=O)(=O)C(F)(F)F 72310096 VEUMXWHGWJOCGZ-UHFFFAOYSA-N 441.475 3.655 0 40 IHAB O=S(=O)(c1cccc(Cl)c1)N1CCCN(Cc2cn3cc(Cl)ccc3n2)CC1 72313034 FGZPEAAVMGWVIZ-UHFFFAOYSA-N 439.368 3.538 0 40 IHAB COc1ccc(NC(=O)Cn2nc(-c3ccc(C)s3)c(-c3cc(C)no3)cc2=O)cc1 72337637 BDXILABHZQFMMB-UHFFFAOYSA-N 436.493 3.891 0 40 IHAB NC(=O)c1cccc(-c2cnc(N)nc2[C@@H]2CCCN(C(=O)CCCc3ccccc3)C2)c1 72346235 JQTVOTOWZCJEHJ-OAQYLSRUSA-N 443.551 3.554 0 40 IHAB COc1c(C)cccc1C(=O)N1CCN(C)C(=O)[C@@H]1Cc1ccc(-c2cccnc2)cc1 72351879 IIVVUPIRGDRPFK-QHCPKHFHSA-N 429.520 3.591 0 40 IHAB Cc1nc(CN(C)C(=O)Cc2c[nH]c3ccccc23)nc2c1CCC(=O)N2CCC(C)C 72370988 DYXNNJNPSUSSNZ-UHFFFAOYSA-N 433.556 3.793 0 40 IHAB Cc1cc(Nc2cnccn2)cc([C@H]2CCCN(C(=O)CN(C)Cc3ccccc3F)C2)n1 72375068 MHVXITDWXZAODC-FQEVSTJZSA-N 448.546 3.901 0 40 IHAB CN(Cc1ccccc1NC(=O)CSc1ccncc1)C(=O)CSc1ccncc1 79056297 NSYIARKLPTUWOJ-UHFFFAOYSA-N 438.578 3.958 0 40 IHAB CCOc1cc(C(=O)N2CC[C@H](OCc3ccccn3)C2)ccc1OCc1cccnc1 79110150 WDCMLWIYKHUDAD-QFIPXVFZSA-N 433.508 3.886 0 40 IHAB O=C(Nc1cc(Cl)ccc1N1CCOCC1)N1CCC[C@@H](c2nncn2C2CC2)C1 95460836 BSUDJYLNLBIUDX-OAHLLOKOSA-N 430.940 3.515 0 40 IHAB Cc1ccc(NC(=O)[C@H]2[C@H]3NC(=S)N[C@@]2(C)Oc2ccc(Br)cc23)c(C)c1 100031275 RCASPLKIUAZKQF-UWVAXJGDSA-N 446.370 3.948 0 40 IHAB COc1ccc(NC(=O)Cn2c(=O)n(Cc3cccc(Cl)c3)c(=O)c3ccccc32)cc1 139345071 ZZALDHWETOXEAQ-UHFFFAOYSA-N 449.894 3.512 0 40 IHAB CN(CC(=O)N[C@H]1CC(C)(C)Oc2ccccc21)S(=O)(=O)c1ccc2ccccc2c1 219704366 BRJQEAZPSCNUPA-NRFANRHFSA-N 438.549 3.879 0 40 IHAB CSc1cccc(N(CC(=O)NCCCc2ccccc2Cl)S(C)(=O)=O)c1 220070295 CLMUFMUWUTWEFQ-UHFFFAOYSA-N 426.991 3.577 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)N(c2cccc(C)c2)S(C)(=O)=O)c(C)c1 220518740 WZJHHXCNRMPHJX-HXUWFJFHSA-N 432.542 3.663 0 40 IHAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)COc1cc(OC)cc(OC)c1 222492125 FFCORLGXXLDZCK-QHCPKHFHSA-N 442.556 3.723 0 40 IHAB CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(Br)cc1 223669528 HQQFYWOSGCIAEN-MRXNPFEDSA-N 433.346 3.690 0 40 IHAB CNC(=O)c1cc(S(=O)(=O)N(C)Cc2cccc(Oc3ccccc3)c2)ccc1OC 223878131 IPCZOLYCUJVHDT-UHFFFAOYSA-N 440.521 3.668 0 40 IHAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)Nc3ccc(F)cc3)cc2)cc1 224438749 CEHULMGGURFOOJ-UHFFFAOYSA-N 428.485 3.907 0 40 IHAB CC[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N(c1cccc(OC)c1)S(C)(=O)=O 224972921 RQZZDZONWIPZMS-JOCHJYFZSA-N 445.585 3.869 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC3(CC2)CC(=O)c2cc(C)ccc2O3)cc1Cl 225817418 RBWFGWRFRPFYLD-UHFFFAOYSA-N 435.929 3.846 0 40 IHAB O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CC[C@@H](Oc2cccc3cccnc23)C1 245020843 MJXDTPRSWQDOHZ-MRXNPFEDSA-N 438.427 3.975 0 40 IHAB CCCS(=O)(=O)N1CCC[C@H]1c1nc(CCc2ccc(F)cc2)c(C(=O)O)s1 257221570 DPPZZGJMMPDAKU-INIZCTEOSA-N 426.535 3.642 0 40 IHAB Cc1cccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)NCc3ccco3)CC2=O)c1C 302767585 MXYJYMZFIYODRT-SFHVURJKSA-N 431.492 3.818 0 40 IHAB CCc1noc(CCC(=O)N2CCC[C@](O)(COc3cc(C)c(Cl)c(C)c3)CC2)n1 2037912756 YTPBEMNDTMYRMC-JOCHJYFZSA-N 435.952 3.657 0 40 IHAB CCn1nc(C)c(CN2CC[C@@H]3[C@@H](CCCCc4ccccc4OCC(=O)N3C)C2)c1C 2037989216 ZQNMJQOKFCRLGX-LADGPHEKSA-N 438.616 3.974 0 40 IHAB CCOC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 1467279 ZISUADLJNWXASH-OAQYLSRUSA-N 426.538 3.972 0 40 IHAB COc1ccc2[nH]cc(CCNC[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@@H](C)[C@@]5(C)[C@H](O)[C@@H]43)c2c1 1820058 BJRTZLZJYHGJHK-FKFVAWLLSA-N 438.568 3.594 0 40 IHAB biogenic CSC[C@H](NC(=O)CCc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O)C(=O)O 2121066 SJKMGPBQAZRQMI-KRWDZBQOSA-N 431.510 3.638 0 40 IHAB biogenic O=S(=O)(Nc1nc2ccccc2nc1Nc1ccccc1)c1ccc2c(c1)OCCO2 3283063 SRLOBIFNTQPRGG-UHFFFAOYSA-N 434.477 3.945 0 40 IHAB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)c1)c1ccc(Cl)cc1 4157390 VXTQJGWQXOUNOF-RWFYYTQISA-N 437.879 3.915 0 40 IHAB CCOC(=O)[C@H](C(C)=O)C(c1ccc(OCCC(C)C)cc1)[C@@H](C(C)=O)C(=O)OCC 5220302 ACWPHFJHVAZJCZ-NHCUHLMSSA-N 434.529 3.732 0 40 IHAB biogenic Cc1cccc2cc(CN(CCCN(C)C)C(=S)NCCc3ccccc3)c(=O)[nH]c12 6443334 DSLOYHNODZTLQN-UHFFFAOYSA-N 436.625 3.707 0 40 IHAB COc1c(Cl)cc(C(=O)N(Cc2ccccc2F)[C@H]2CCS(=O)(=O)C2)cc1Cl 8612159 IFLQVZHWEFMCCH-AWEZNQCLSA-N 446.327 3.971 0 40 IHAB COc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2cccnc2)N2NC=NC2=N3)c(OC)c1 8657487 NSMKBMROFDEPDB-BJKOFHAPSA-N 439.475 3.903 0 40 IHAB CC(C)[C@@H](NCC(=O)N1CCN(Cc2cccs2)CC1)c1ccc2c(c1)OCCCO2 8747856 FERHEOMQNHOSMA-XMMPIXPASA-N 443.613 3.541 0 40 IHAB CCCCCCNS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)cc1 8816091 BEQOAYKRTWCJOF-SFHVURJKSA-N 449.617 3.665 0 40 IHAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)CNC(=O)c1ccc(Br)cc1 8945797 KZRSMTLRVLRLJN-UHFFFAOYSA-N 429.236 3.856 0 40 IHAB CCC(=O)N(c1nnc(SCc2nc(N)nc(Nc3ccccc3C)n2)s1)C1CC1 9111825 WTRNTHRSSMZHTB-UHFFFAOYSA-N 442.574 3.555 0 40 IHAB CC(=O)Oc1ccc(C(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccc(C)cc4)C3)s2)cc1 9198126 XUOUJPWPCKMNAR-MRXNPFEDSA-N 436.493 3.545 0 40 IHAB CCOc1cc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2C[C@H]2CCCO2)ccc1O 9408920 ZIMZOJXVKKUDFO-CMJOXMDJSA-N 435.480 3.611 0 40 IHAB COc1cc(C(=O)Nc2nc(-c3ccc4c(c3)CC(=O)N4)cs2)cc(OC)c1OC 9514350 NZFAOUUXMRUGFA-UHFFFAOYSA-N 425.466 3.583 0 40 IHAB COc1ccc(NC(c2ccccc2)c2ccccc2)cc1S(=O)(=O)N1CCOCC1 9562939 MVGFQKVFQCUUGN-UHFFFAOYSA-N 438.549 3.918 0 40 IHAB COc1cc(-c2cc(C(=O)N[C@@H]3CCSC3=O)c3ccccc3n2)cc(OC)c1OC 9703463 SHBQADUQPGWUJB-QGZVFWFLSA-N 438.505 3.690 0 40 IHAB Cn1ccnc1SCC(=O)Nc1ccc(C(=O)NCCCn2ccc3ccccc32)cc1 9952502 HWQRDCAKUIKVIV-UHFFFAOYSA-N 447.564 3.926 0 40 IHAB Cc1c(C)n2c3c(=O)n(Cc4ccc(F)cc4)c(=O)n(C)c3nc2n1[C@H](C)c1ccccc1 10104173 NGLZWZVSWDQKJX-QGZVFWFLSA-N 445.498 3.563 0 40 IHAB CCCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3cc(Cl)ccc3C)ccc21 12180460 XMLKMELSHLXKPB-UHFFFAOYSA-N 442.990 3.942 0 40 IHAB O=C1CN(C(=O)CCC(=O)N2[C@H]3CC[C@@H]2CC(c2ccc(F)cc2)C3)c2ccccc2N1 12181207 PWGLVNTUJLMNSD-CTXDPNEZSA-N 435.499 3.828 0 40 IHAB Cc1cc(-c2snnc2[C@H]2CCCN(C(=O)C[C@@H](C)n3nc(C)c(C)c3C)C2)on1 12252050 IBCQUWRDACSNED-DYVFJYSZSA-N 428.562 3.981 0 40 IHAB Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 12560477 QVBFRXBASPNMDB-UHFFFAOYSA-N 437.521 3.507 0 40 IHAB COc1ccc(CNC(=O)c2cc3c(cc2Cl)N2CCCCCC2=NS3(=O)=O)cc1 12609870 OLFQXDKNDRLVES-UHFFFAOYSA-N 447.944 3.760 0 40 IHAB NC(=O)c1c(NC(=O)CSc2nnc(-c3cccs3)n2C2CC2)sc2c1CCC2 12680942 RQNPDNLHBPLEHY-UHFFFAOYSA-N 445.595 3.721 0 40 IHAB Cc1ccc(/C=C/c2nc(SCC(=O)N[C@H](C)c3ccc4c(c3)OCCO4)n[nH]2)o1 12842204 LDEUUMTTZNIPGJ-IZPAUZPXSA-N 426.498 3.617 0 40 IHAB CCCN(CC(=O)Nc1cc(C)c(C(=O)OCC)s1)CC(=O)Nc1ccccc1C 12872988 ZALLRXSKVNLJES-UHFFFAOYSA-N 431.558 3.831 0 40 IHAB CS(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)Nc2ccc(SC(F)F)cc2)c1 12903310 GEHBPVXNUWOOGI-UHFFFAOYSA-N 449.884 3.854 0 40 IHAB COc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1S(=O)(=O)NC1CC1 12994145 PMMANYQYMMWBSA-NSHDSACASA-N 443.352 3.934 0 40 IHAB Cc1ccccc1C(=O)N1CCC(C(=O)N2CCCN(C)c3nc4ccccc4nc32)CC1 13011146 VVVGBIKNKYWVAV-UHFFFAOYSA-N 443.551 3.664 0 40 IHAB O=C(CSc1ccc(Br)cc1)NC[C@@H](c1cccs1)N1CCOCC1 13013929 SBDSNEMKGRXYBB-INIZCTEOSA-N 441.416 3.792 0 40 IHAB Cc1cc(C)cc(OCC(=O)Nc2ccccc2C(=O)NCc2ccc3c(c2)OCO3)c1 13071257 KTPZFTIYXNKJRH-UHFFFAOYSA-N 432.476 3.980 0 40 IHAB CCCCC(=O)OCC(=O)N1N=C(c2c[nH]c3ccccc23)[C@H](O)[C@@H]1c1ccc(OC)cc1 13122287 DULZPFDNCTYXTA-DQEYMECFSA-N 449.507 3.558 0 40 IHAB COc1ccc(OC)c(C(=O)CSc2nnc(-c3ccccn3)c(-c3ccccn3)n2)c1 13566509 UKWDNVFPQGAXDJ-UHFFFAOYSA-N 445.504 3.988 0 40 IHAB O=C(CCCc1cccs1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 14183151 OAKYPTVTJUDQRQ-UHFFFAOYSA-N 428.579 3.757 0 40 IHAB CCOc1ccc(NC(=O)c2ccccc2NC(=O)Cn2nnc(-c3cccs3)n2)cc1 14246535 WCKFTZDMRCXUSP-UHFFFAOYSA-N 448.508 3.691 0 40 IHAB Cn1c(=O)c2c(-c3ccc(C(C)(C)C)cc3)n(-c3ccc4c(c3)OCO4)cc2n(C)c1=O 15084168 WFUWBGWBWFNOKF-UHFFFAOYSA-N 431.492 3.721 0 40 IHAB O=C1N[C@]2(CCOc3ccccc32)C(=O)N1CC(=O)N(c1ccccc1)C1CCCCC1 15634520 BTCSZLDWPQKZJT-VWLOTQADSA-N 433.508 3.582 0 40 IHAB Cc1ccc2c(C)c(CCC(=O)N3CCN(CCOc4ccccc4)CC3)c(=O)oc2c1 16233399 VGPULQVKYHWHNW-UHFFFAOYSA-N 434.536 3.566 0 40 IHAB COc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCN(C)C)cc1OC 16752085 IGDIHKIWMGUBBK-JOCHJYFZSA-N 436.508 3.616 0 40 IHAB COc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(NC(=O)C(C)C)c(OC)c2)cc1 17095473 QLFPEIXDSCHALN-KPKJPENVSA-N 427.526 3.825 0 40 IHAB O=C(CCCc1ccccc1)N1CCC2(CC1)NC(=O)N(Cc1ccc(Cl)cc1)C2=O 17178778 XACVCUMRZJJASM-UHFFFAOYSA-N 439.943 3.776 0 40 IHAB CCOc1ccc(CC(=O)N2CCCC[C@@H]2c2nc(O)c3c(n2)CN(C(C)C)CC3)cc1 19532994 KVPTWYSLHYPCAG-JOCHJYFZSA-N 438.572 3.644 0 40 IHAB COc1c(CN2CCN(C)C(=O)[C@H](Cc3ccc(-c4cccs4)cc3)C2)c(C)nn1C 19577961 FEXQGEYSGYCQFE-HXUWFJFHSA-N 438.597 3.599 0 40 IHAB CCN1CCN(C(=O)c2cncn2CC)C[C@H](Cc2ccc(-c3cccs3)cc2)C1=O 19578432 RYAIPGXLGIJSOW-FQEVSTJZSA-N 436.581 3.795 0 40 IHAB CN(C)C(=O)[C@@]1(Cc2ccc(-c3ccccc3F)cc2)CCCN(C(=O)[C@@H]2CCCO2)C1 19578932 YWHJOFSKRPHXFW-JYFHCDHNSA-N 438.543 3.911 0 40 IHAB CNC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CCCN(C(=O)COc2ccccc2)C1 19591124 VNMODKDVPZMNGP-HHHXNRCGSA-N 443.547 3.725 0 40 IHAB CNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CN(C(=O)CC2CCCCC2)CCO1 19591811 PNGIUDOFOHNLRC-SANMLTNESA-N 435.568 3.605 0 40 IHAB Cc1cccc(CNc2n[nH]c3nc([C@H]4CCN(C(=O)CC5(O)CCCCC5)C4)ccc23)n1 19705069 UGSMJIXJJPSOAD-SFHVURJKSA-N 448.571 3.675 0 40 IHAB CCOCc1ccc(C(=O)N2CC[C@@H](c3ccc4c(NC5CCOCC5)n[nH]c4n3)C2)cc1 19705076 QYVHFUVXFDVBRP-LJQANCHMSA-N 449.555 3.715 0 40 IHAB COc1ccc(CN2CCCc3c(C)nc([C@H]4CCCN(Cc5ncc[nH]5)C4)nc32)cc1 19706587 XTHQOGQMXKPLND-FQEVSTJZSA-N 432.572 3.849 0 40 IHAB Cc1nc([C@@H]2CCCN2C(=O)COC(C)C)nc2c1CCC(=O)N2CC1CCCCC1 19741993 UYCOFHRRBLEDRA-FQEVSTJZSA-N 428.577 3.733 0 40 IHAB CN(C)C(=O)c1cc([C@@H]2CN(C(=O)CCc3ccccc3F)CCO2)nc2ccccc12 19762590 RGXBNLUHIFAGLF-QHCPKHFHSA-N 435.499 3.608 0 40 IHAB Cc1nc([C@@H]2CCCN(Cc3c(-c4ccccc4)nn(C)c3C)C2)ncc1C(=O)N(C)C 19763084 ACMSVUYSSCJYOB-HXUWFJFHSA-N 432.572 3.575 0 40 IHAB O=c1[nH]c2ccccc2nc1CS(=O)(=O)c1ccc(Br)c2ccccc12 19855178 IACLHRJABAXLSU-UHFFFAOYSA-N 429.295 3.813 0 40 IHAB O=C(NCc1ccccc1-n1ccnc1)c1cccc(NS(=O)(=O)c2ccccc2)c1 20035965 MNLBKAMPQYRGHC-UHFFFAOYSA-N 432.505 3.603 0 40 IHAB CNc1snc(C)c1C(=O)OCC(=O)N(C)[C@]1(c2ccccc2Cl)CCCCC1=O 21761904 XQJWDDWDODRYCH-NRFANRHFSA-N 449.960 3.800 0 40 IHAB COc1ccccc1CCCNC(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 22366004 CRROHMFYDMGJCG-UHFFFAOYSA-N 445.368 3.517 0 40 IHAB COc1ccc(CC(=O)N2CCN(Cc3nc(-c4cccs4)cs3)CC2)cc1OC 23137360 NBQNMLLJOKFMCP-UHFFFAOYSA-N 443.594 3.776 0 40 IHAB COC(=O)c1ccccc1NC(=O)C1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1 23143255 GDFAFDVUHZMCKY-UHFFFAOYSA-N 434.471 3.924 0 40 IHAB Cc1nc2sc([C@H](c3cccc(F)c3)N3CCN(c4ccccc4F)CC3)c(O)n2n1 23157420 SSRGMERJEAVAMZ-IBGZPJMESA-N 441.507 3.995 0 40 IHAB COc1ccc([C@@H](CNS(=O)(=O)c2ccc(Br)cc2)N2CCCC2)cc1 23994178 IZAKVMYVZZRKJJ-LJQANCHMSA-N 439.375 3.573 0 40 IHAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)cc1 24608799 ZVWAPXGEBJOSSK-UHFFFAOYSA-N 430.614 3.622 0 40 IHAB Cc1nnc(COC(=O)c2ccccc2OCC(=O)Nc2ccc(Br)cc2)o1 24911113 SKODVRGWENSFHK-UHFFFAOYSA-N 446.257 3.515 0 40 IHAB Cc1ccc(C(=O)Nc2ccccc2C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1NS(C)(=O)=O 29418169 MROHWGGXHUKHRO-IYBDPMFKSA-N 443.569 3.737 0 40 IHAB CSCC[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 31127351 HHRUQQLPXYMTGL-NVXWUHKLSA-N 427.526 3.679 0 40 IHAB O=C(c1ccc(CS(=O)(=O)c2ccccc2)o1)N1CCC([C@@H](O)c2ccccc2)CC1 31267617 DLCLGCMCCHAGFV-QHCPKHFHSA-N 439.533 3.839 0 40 IHAB COCCN1C(=O)c2ccccc2[C@H](C(=O)N2CCN(c3ccccc3)CC2)C12CCCC2 32088705 RUJREFILPOVIAW-XMMPIXPASA-N 447.579 3.534 0 40 IHAB COc1ccc(-c2csc(NC(=S)NC(=O)c3ccc4c(c3)OCO4)n2)cc1OC 32127939 VTBZZQJPGQRJAQ-UHFFFAOYSA-N 443.506 3.683 0 40 IHAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 32901173 KZGOHGWXVFXUFB-AWEZNQCLSA-N 437.323 3.550 0 40 IHAB CCn1c(SCC(=O)Nc2ccccc2F)nnc1[C@H](C)NC(=O)c1ccccc1F 33518764 KBVHQLDUKKBMOU-ZDUSSCGKSA-N 445.495 3.798 0 40 IHAB COc1ccc(NC(=O)N(Cc2cc3cc(C)ccc3n3nnnc23)C[C@@H]2CCCO2)cc1 35315968 ZKPSRDJVQKAPHX-NRFANRHFSA-N 446.511 3.808 0 40 IHAB Cc1oc(-c2ccccc2)nc1CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 36389827 DUUBQDCUJLXIEJ-UHFFFAOYSA-N 437.974 3.871 0 40 IHAB COC(=O)c1ccc(OC[C@@H](O)CSc2nnc(-c3ccccc3F)n2C2CC2)cc1 36396528 DINIGTSLNVUEDK-MRXNPFEDSA-N 443.500 3.738 0 40 IHAB COc1ccc(-c2cc3c4nnc(SCC(=O)N(C)c5ccccc5)n4ccn3n2)cc1 38486998 UGERLDPTCQVSNK-UHFFFAOYSA-N 444.520 3.808 0 40 IHAB Cc1cc(CN2CCN([C@H](C)C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)no1 39519769 MHEZNTVZZMPMRF-CYBMUJFWSA-N 430.858 3.800 0 40 IHAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NCc1ccsc1-n1cccc1 40155031 XEGHDFFJEXMJKD-UHFFFAOYSA-N 448.474 3.861 0 40 IHAB Cc1ccc(C)c(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccc(Cl)cc4)[nH]c(=O)c32)c1 40399318 TXFSVHIMQSHBHO-HNNXBMFYSA-N 437.887 3.848 0 40 IHAB Cc1ccccc1C(=O)NC1CCN(c2ccccc2S(=O)(=O)C(F)(F)F)CC1 48302145 XIWBRGRTSXHHGI-UHFFFAOYSA-N 426.460 3.687 0 40 IHAB COc1cc(Br)c(CN[C@H](C)c2ccc(NS(C)(=O)=O)cc2)cc1OC 48340973 ZHLZTIZEJSZTOX-GFCCVEGCSA-N 443.363 3.689 0 40 IHAB COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)c1 48345667 ZSLJSPBNVDKMRO-JTQLQIEISA-N 446.308 3.606 0 40 IHAB CCN1c2ccc(C(=O)Nc3cccc(C(=O)OC)c3)cc2-c2ccccc2S1(=O)=O 64762108 BRBLFHFTXSFLTG-UHFFFAOYSA-N 436.489 3.921 0 40 IHAB COc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)cc1N1CCCCC1=O 70007889 ABLWYJFDDOVGIU-MRXNPFEDSA-N 441.553 3.765 0 40 IHAB CCCCOCCN(C(=O)[C@H](C)S(=O)(=O)C(C)C)c1ccc(Br)cc1 72288265 COBXUKHXBXZYAI-HNNXBMFYSA-N 434.396 3.811 0 40 IHAB Cc1cc(-c2ccc(N)nc2)cc([C@@H]2CCN(C(=O)Cc3ccc4c(c3)OCCCO4)C2)n1 72374683 HTJAJDKFXUQCGC-HXUWFJFHSA-N 444.535 3.754 0 40 IHAB CNC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)c2ccccc2OC)CCO1 72389094 GFFPKTBBDRIEAF-MHZLTWQESA-N 444.531 3.562 0 40 IHAB Cc1nc2cc(C(=O)N3CC[C@@H]4[C@@H](CCC(=O)N4C4CC4)C3)ccc2n1-c1ccccc1 89721633 RWOAFUWTAXCTIQ-WMZHIEFXSA-N 428.536 3.949 0 40 IHAB Cc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@H]6C[C@H]56)[C@H]4C3=O)c2)cc1 100831733 ZFYFWFHQNNBOBA-FWDUKEBRSA-N 441.483 3.592 0 40 IHAB O=C(NCc1ccccc1)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2C3)sc2c1CCC2 102642860 YSXAHZNACLAKRF-QXGSTGNESA-N 436.533 3.628 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2cccc(F)c2)S(C)(=O)=O)cc1 220479871 OVNONDWLXISWNV-OAHLLOKOSA-N 436.505 3.576 0 40 IHAB CC[C@@H](C(=O)Nc1ccc(OC)c(OC)c1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O 222500565 JLPNTOVKDHXLGF-INIZCTEOSA-N 444.912 3.680 0 40 IHAB CC[C@@H](C(=O)NCCOc1cccc(C)c1C)N(c1cc(C)ccc1C)S(C)(=O)=O 223955281 DZZBNSKZDPCZFC-FQEVSTJZSA-N 432.586 3.660 0 40 IHAB COc1ccc(CCNC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)c(C)c2)cc1 224191622 JDPFXKKKDVZMEV-UHFFFAOYSA-N 438.549 3.801 0 40 IHAB CCc1ccc(OCCNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1 224238819 DOUDCPRGHAYAJU-UHFFFAOYSA-N 430.551 3.920 0 40 IHAB Cc1ccc(-c2nnc(NC(=O)[C@@H](C)N(c3cccc(C)c3)S(C)(=O)=O)s2)cc1 224410850 QDCCIPQZSWZRHE-OAHLLOKOSA-N 430.555 3.615 0 40 IHAB COc1ccc(OC[C@@H](C)NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2C)cc1 224531108 VHCVSHFGNLTWHM-OYADDEIPSA-N 434.492 3.951 0 40 IHAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCc1ccc(OC)c(OC)c1 224697580 WQKOLWVMGIBHOR-LJQANCHMSA-N 426.557 3.888 0 40 IHAB CCc1ccc(OCCNC(=O)CCCN(c2ccc(CC)cc2)S(C)(=O)=O)cc1 224747664 HQGFNAVUGSMSJD-UHFFFAOYSA-N 432.586 3.553 0 40 IHAB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)s1 225088583 GNEISJUJVMLOHG-UHFFFAOYSA-N 442.444 3.918 0 40 IHAB COc1cccc2cc(C(=O)N3CCC(Cc4n[nH]c(=O)n4-c4ccccc4C)CC3)oc12 225547704 ADKFUTKTERKLBS-UHFFFAOYSA-N 446.507 3.719 0 40 IHAB COc1cccc(CN(C(=O)COc2cc(C)cc(C)c2C)[C@H](C)C(=O)NC(C)C)c1 225661946 XTDPHAUIDILSOX-HXUWFJFHSA-N 426.557 3.941 0 40 IHAB CN(C)C(=O)c1sc2ncccc2c1[C@H]1CC[C@H](CNC(=O)CN2CCCCC2)CC1 257230971 GERRVRUHGZUEOQ-IYARVYRRSA-N 442.629 3.874 0 40 IHAB CC(C)(O)[C@@H]1CC[C@@]2(C)OCC3(CCN(C(=O)c4cccc5ncccc45)CC3)C[C@@H]2O1 257239554 HPVMXCZBUNYTGN-WRALFONMSA-N 438.568 3.955 0 40 IHAB Cc1nc2cc([C@H]3CCN(Cc4cccs4)C3)nn2c(C)c1CCC(=O)NC(C)C 257321651 WCOSJFOPLMPTGP-SFHVURJKSA-N 425.602 3.854 0 40 IHAB COc1ccc([C@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(C)ccc3C)C2)cc1 260822813 AUPQYEFIDVZDOR-ICSRJNTNSA-N 430.570 3.590 0 40 IHAB CC(C)n1nccc1[C@@H]1CN(Cc2cccnc2)C[C@]12CCCN(Cc1cccnc1)C2=O 306127032 FLYRFZVHTJQRIQ-JYFHCDHNSA-N 444.583 3.662 0 40 IHAB CC(C)CC(=O)N1CCC2(CC1)COc1ccccc1S(=O)(=O)N(CC1CCCC1)C2 306142217 WTNBKQZQPULXJW-UHFFFAOYSA-N 448.629 3.915 0 40 IHAB O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl)NC1CCCCCC1 408528422 GCKFPKJKFREGJY-UHFFFAOYSA-N 428.982 3.732 0 40 IHAB Cc1cccc(C(C)C)c1NS(=O)(=O)c1ccc(O[C@@H](C)C(=O)N2CCOCC2)cc1 408594792 PHPKSPKJWMQXEI-SFHVURJKSA-N 446.569 3.545 0 40 IHAB CCCOC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(C)c(C)c2)cc1 408660548 AMVDLQMPMXHTJH-UHFFFAOYSA-N 440.496 3.771 0 40 IHAB Cc1cccc(C)c1N1C[C@@H](C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)CC1=O 408664720 DJFLLXLIYRQSQU-HNNXBMFYSA-N 434.414 3.857 0 40 IHAB COC(=O)c1ccc(NC(=O)COC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)c2ccccc2)cc1 408667534 VQTMITCHORFHOF-HXHBTQRASA-N 435.476 3.500 0 40 IHAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1 408679235 VNOHCNFZXABXGL-UHFFFAOYSA-N 428.444 3.843 0 40 IHAB CCOc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C)cc2)cc1 409058186 IWPDYVMYIKRHKS-YZJHEVQWSA-O 442.539 3.718 0 40 IHAB COc1cc(C)nc(O)c1CNC(=O)c1c(C)n([C@@H](C)C2CCNCC2)c2ccccc12 504512084 TTZAIUFQJUVFEZ-INIZCTEOSA-N 436.556 3.858 0 40 IHAB CCOC(=O)c1c(NC(=O)CN(Cc2cccs2)C(C)C)sc(C(=O)NC)c1C 512489118 NCJSYAZXLPOSHU-UHFFFAOYSA-N 437.587 3.503 0 40 IHAB C[C@H](NC(=O)c1n[nH]c2ccccc12)C(=O)N[C@@H](C)c1ccc(Oc2cccnc2)cc1 517995252 XJRCPTCCEIPGHB-HOTGVXAUSA-N 429.480 3.746 0 40 IHAB CC(C)CC(=O)N[C@H](C(=O)N1CCC2(CC1)C[C@H]2C(=O)N1CCCCC1)c1ccccc1 540034222 QZTCUICCBSIZEX-GMAHTHKFSA-N 439.600 3.531 0 40 IHAB Cn1ccc2c(C(=O)NC[C@@H]3CSCCN3C(=O)c3cccc4c3ccn4C)cccc21 551930105 JUPPCDZKBBDTEC-QGZVFWFLSA-N 446.576 3.658 0 40 IHAB COc1ncccc1NC(=O)CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12 604404282 AYVAEQUFHDPCOR-HSZRJFAPSA-N 442.475 3.624 0 40 IHAB biogenic Cc1nc(C)c(C(=O)N2CCC[C@]3(CCCCc4ccccc4OCCNC3=O)C2)s1 643560373 PFYAVRSSXVRGAJ-XMMPIXPASA-N 441.597 3.904 0 40 IHAB CCCCn1c(CN(C)Cc2ccn(CC)c2)nc2c1c(O)nc(=O)n2Cc1ccccc1 683029695 OAUHWHHBOKMAGZ-UHFFFAOYSA-N 448.571 3.600 0 40 IHAB COC(=O)c1cn(Cc2ccccc2Cl)c(=O)c2cnc3nc(-c4ccccc4)nn3c12 1548338236 OAGRERNITJSIEX-UHFFFAOYSA-N 445.866 3.595 0 40 IHAB COc1ccc(CCN2C(=O)C[C@H]3[C@H](CNC(=O)NC4CCCCC4)[C@@H](C)C[C@H]32)cc1 1775964352 INRAUPZXPYOXDL-AIZKBTNYSA-N 427.589 3.743 0 40 IHAB biogenic,in-vitro O=C(c1cc(C2CCCCC2)no1)N1CCC[C@]2(C[C@@H](O)[C@H](c3ccccc3)NC2=O)C1 2037873416 IQDSIFXPFYENBM-KJWPAHLWSA-N 437.540 3.567 0 40 IHAB Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccco3)cc2)CC1 623810 LEHPHUZOYPVZPJ-UHFFFAOYSA-N 448.548 3.677 0 40 IHAB C[C@H]1CCc2c(sc(NC(=O)Cn3nc(C(F)(F)F)c4c3CCCC4)c2C(N)=O)C1 869797 HQVYCWCQMGGHNJ-JTQLQIEISA-N 440.491 3.705 0 40 IHAB CCOc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nnc(C)s2)ccc1O 1020435 PVCKEFCVRDEMNU-SFHVURJKSA-N 435.461 3.807 0 40 IHAB CCOc1ccc2[nH]c(=O)c(CN(C[C@H](C)O)C(=S)Nc3ccc(C)cc3)cc2c1 1332306 CVFHXYNFZJOKKF-INIZCTEOSA-N 425.554 3.815 0 40 IHAB CC(C)(C)[C@H]1CCc2c(sc3nnn(CC(=O)OCCOc4ccccc4)c(=O)c23)C1 1785016 JKLCVIQHFZMIMG-HNNXBMFYSA-N 441.553 3.626 0 40 IHAB O=C(COC(=O)c1ccc(Br)o1)Nc1ncc(C(F)(F)F)cc1Cl 3242790 PBLBNWONQIBEGK-UHFFFAOYSA-N 427.560 3.905 0 40 IHAB COc1ccccc1NC(=O)COc1ccc(C(=O)OCC(=O)c2ccccc2)cc1OC 3252135 OVWYCMYFOPVNRV-UHFFFAOYSA-N 449.459 3.761 0 40 IHAB COc1cc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2cccs2)c(OC)cc1Cl 6461721 NDPFKHBMLBVNKD-QGZVFWFLSA-N 431.905 3.938 0 40 IHAB CCN1CCN(c2ccc(NC(=S)NC(=O)c3cccc(OC(C)C)c3)cc2)CC1 6517678 XCSPGVUQWMXHMP-UHFFFAOYSA-N 426.586 3.743 0 40 IHAB CCCCC(=O)Nc1ccc(N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c(F)c1 8855510 JAPSLKCYGKQIAM-UHFFFAOYSA-N 433.549 3.774 0 40 IHAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(-n4cccc4)c3)cc2)nc(C)n1 8861967 NWXOOGFFOKMUPN-UHFFFAOYSA-N 447.520 3.937 0 40 IHAB CN(CC(=O)Nc1ccccc1Cl)C(=O)CSc1nnc(Cc2ccccc2)o1 8920183 BKNNEPZRZVAXIJ-UHFFFAOYSA-N 430.917 3.503 0 40 IHAB C[C@@H](CCc1ccccc1)NC(=O)Cn1c2ccccc2c2nc3n(c(=O)c21)CCCS3 8995974 OMDJICCKBVKQFY-KRWDZBQOSA-N 446.576 3.985 0 40 IHAB Cc1cccc(-n2c(S[C@H](C)c3nc4ccccc4c(=O)[nH]3)nnc2N2CCOCC2)c1 9220827 BODOPHWNOIWCRC-MRXNPFEDSA-N 448.552 3.502 0 40 IHAB COc1ccc([C@H]2Nn3c(nnc3-c3ccccc3)S[C@H]2C(=O)NCc2ccco2)cc1 9238861 ABUSZXOLQFQYOF-WOJBJXKFSA-N 447.520 3.622 0 40 IHAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nc4c(s3)CCCC4)cc2)C1 9367308 MRFSZXWJYLCFMH-GJZGRUSLSA-N 433.599 3.941 0 40 IHAB COc1cccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NCCCn4ccnc4)cc3N2)c1 9410671 TZBVTOJRWCGAKK-FUHWJXTLSA-N 448.449 3.569 0 40 IHAB Cc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1C(=O)NCCc1cccs1 9465605 GVTOSTFGOSYWFJ-UHFFFAOYSA-N 446.569 3.689 0 40 IHAB CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc(C)n3C)ccc2OC)cc1 9467642 BIGQZGFYUIRLGD-UHFFFAOYSA-N 443.525 3.794 0 40 IHAB CN(Cc1nc(-c2ccc(OC(F)(F)F)cc2)no1)S(=O)(=O)c1ccc(F)cc1 9485941 MWCCXTCDOTVRDN-UHFFFAOYSA-N 431.367 3.595 0 40 IHAB O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1cc(=O)c2ccccc2o1 9562753 LZQWRDSSKCIDGA-UHFFFAOYSA-N 446.912 3.873 0 40 IHAB CC(=O)Nc1cccc(NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)c1 9615251 BHRKNAZTRBYNSA-UHFFFAOYSA-N 437.521 3.864 0 40 IHAB O=C(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCO2 10220759 ZHEBZKRYSKXMPR-UHFFFAOYSA-N 436.489 3.809 0 40 IHAB Cc1cccc2sc(NC(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)nc12 10337392 YICSLQAMEAUNHM-UHFFFAOYSA-N 433.530 3.783 0 40 IHAB COc1ccc(NC(=O)CNc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc1 11102707 CAWVUPPENDUAQZ-UHFFFAOYSA-N 425.510 3.571 0 40 IHAB C[C@H]1CCc2ccccc2N1C(=O)COC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 11230913 BREOXDMFXKILSF-AZUAARDMSA-N 435.524 3.842 0 40 IHAB CCOc1ccc2cc([C@H]3CC(c4ccc(C)cc4)=NN3C(=O)CCC(=O)O)c(=O)[nH]c2c1 11612195 MDPXNKRQHRVXJG-JOCHJYFZSA-N 447.491 3.778 0 40 IHAB COc1ccc(C(=O)Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cc1OC 12507888 DPKKVCUSGFCNCQ-UHFFFAOYSA-N 430.457 3.896 0 40 IHAB COC(=O)c1cccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2cccc(OC)c2)c1 12753047 FSZRFIXZUQYLNP-UHFFFAOYSA-N 440.477 3.535 0 40 IHAB CCOc1ccc(NC(=O)c2cc(C)nc3ccc(C)cc23)cc1S(=O)(=O)N(C)C 12777556 FCMRRDZXQOHQCT-UHFFFAOYSA-N 427.526 3.753 0 40 IHAB CNS(=O)(=O)Cc1ccccc1CNC(=O)CCCOc1ccc(Cl)cc1Cl 12893238 IWKYPYZQXIGHBF-UHFFFAOYSA-N 445.368 3.518 0 40 IHAB O=C(CN1CCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)CC1)Nc1cccc(F)c1 12926168 RYXAYIDXUFPWEI-UHFFFAOYSA-N 425.435 3.621 0 40 IHAB Cc1ccc(NC(=O)Cn2c(=O)n(CCc3ccccc3)c(=O)c3sccc32)cc1C 13533470 CAXQYTHISFONNE-UHFFFAOYSA-N 433.533 3.723 0 40 IHAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](CC)N(c1ccc(F)cc1)S(C)(=O)=O 13686418 LJNOSUNARIPFQJ-FOIQADDNSA-N 449.548 3.537 0 40 IHAB COc1ccc(C(=O)N2CCC(C(=O)NCCc3c(C)[nH]c4ccc(F)cc34)CC2)cc1 13691278 UGAIMLVABMPEOE-UHFFFAOYSA-N 437.515 3.835 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(Oc2ccccc2)c(NC(=O)c2cnccn2)c1 14821875 IEHAOJPRXZIONK-UHFFFAOYSA-N 426.498 3.552 0 40 IHAB CCN(CC)Cc1ccccc1CNC(=O)Cc1csc(NC(=O)c2ccco2)n1 16784183 ZCCWORKMNFKCON-UHFFFAOYSA-N 426.542 3.689 0 40 IHAB Cc1cc(NC(=O)CN(C)[C@@H](C)c2ccc(-n3cncn3)cc2)ccc1Br 17305779 GKSMZHGTIRUVMH-HNNXBMFYSA-N 428.334 3.970 0 40 IHAB Cc1ccc(C(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CN(C2CCC(C)CC2)CC3)cc1 19135321 LEHGNBQRFHACDI-KXNZUKPASA-N 434.584 3.992 0 40 IHAB CNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCN(C(=O)Cc2cccc(C)c2)C1 19234598 BEICMGWMRACJFC-HHHXNRCGSA-N 427.548 3.807 0 40 IHAB COc1ccc(-c2cc3nc([C@H](C)NC(=O)COc4c(C)cccc4C)nn3cn2)cc1 19236080 IBYPSDFPODLMML-KRWDZBQOSA-N 431.496 3.673 0 40 IHAB CCC(=O)Nc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(F)ccc2O3)cc1 19499323 WJBWBACQVGDOPO-RTWAWAEBSA-N 428.504 3.558 0 40 IHAB COc1ccc(CC(=O)N2CCNC(=O)[C@@H](Cc3ccccc3-c3ccccc3)C2)cc1 19554269 NXZXPJSYFLISJF-QHCPKHFHSA-N 428.532 3.722 0 40 IHAB COc1cccc(CN2CC[C@](Cc3cccc(-c4ccncc4)c3)(C(N)=O)C2)c1OC 19567583 JTXQHESMBHWIGR-AREMUKBSSA-N 431.536 3.686 0 40 IHAB COc1cccc(CN2CCC[C@@H](c3n[nH]cc3-c3ccnc(N4CCCC4)n3)C2)c1OC 19567763 LFIMDXPIJQPDOG-GOSISDBHSA-N 448.571 3.864 0 40 IHAB COc1ccc(CC(=O)N[C@@H](Cc2cc(=O)[nH]c(C)n2)c2ccc(Cl)cc2)cc1C 19571224 FOBPXLYTXBFZJC-FQEVSTJZSA-N 425.916 3.691 0 40 IHAB COc1ccccc1O[C@@H](C)C(=O)N[C@@H](C)c1nc2cc(-c3ccc(F)cc3)ncn2n1 19574289 NCBICIJVIVOHEQ-GJZGRUSLSA-N 435.459 3.584 0 40 IHAB Cc1n[nH]cc1C(=O)N1CCC[C@](Cc2ccccc2-c2cccnc2)(C(=O)NC(C)C)C1 19582333 SVYAQTMDUQOILR-AREMUKBSSA-N 445.567 3.770 0 40 IHAB Cc1n[nH]cc1C(=O)N1CCC[C@](Cc2ccccc2-c2cccs2)(C(=O)N(C)C)C1 19582350 WMLWBJAJKYUFOT-XMMPIXPASA-N 436.581 4.000 0 40 IHAB NC(=O)[C@]1(Cc2cc(-c3ccc(F)cc3)no2)CCN(C(=O)c2cccc3ncccc23)C1 19703554 OPSBKYPEFNPYLG-VWLOTQADSA-N 444.466 3.589 0 40 IHAB Cc1nc([C@H]2CCCN(CC(=O)Nc3ccccc3F)C2)nc2c1CCCN2CC1CC1 19706978 ZJSPZFADRXDCFZ-IBGZPJMESA-N 437.563 3.905 0 40 IHAB Cc1nc([C@@H]2CCCN2C(=O)c2ccccn2)nc2c1CCC(=O)N2CCc1ccccc1 19740363 ARHBXFQMRQCFMN-QFIPXVFZSA-N 441.535 3.679 0 40 IHAB Cc1ccc(N2CCN(CN3C(=O)S/C(=C/c4cccnc4)C3=O)CC2)cc1Cl 20311136 AMDAVVSTZYKCLY-YBFXNURJSA-N 428.945 3.859 0 40 IHAB COc1ccc([C@@H]2N=C3NCN(C4CCCCC4)CN3c3nc4ccccc4n32)cc1OC 20638590 DHOYXNUQKCLSHS-HSZRJFAPSA-N 446.555 3.929 0 40 IHAB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)Nc1cccc(Cl)c1Cl 21131644 GENWHIQCBHQQNO-LLVKDONJSA-N 425.243 3.667 0 40 IHAB Cc1cc2oc(=O)cc(CN3CCN(S(=O)(=O)/C=C/c4ccccc4)CC3)c2cc1C 21849531 IECIQQUCECQZLT-MDWZMJQESA-N 438.549 3.528 0 40 IHAB aggregator COC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c(C)c1 22765806 LOLKWAGGPYVRSA-JTQLQIEISA-N 435.263 3.712 0 40 IHAB Cc1ccc(-n2ncc3c(C4CC4)nn(CC(=O)Nc4ccccc4F)c(=O)c32)cc1C 22768184 WHQUBBMBMHPORZ-UHFFFAOYSA-N 431.471 3.854 0 40 IHAB O=C(Nc1ccccc1)c1ccc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 22781791 TYVCLGHPEGMRIT-UHFFFAOYSA-N 429.520 3.985 0 40 IHAB O=C(Cn1nc2c(c1NC(=O)c1ccc(F)cc1F)CSC2)NCc1ccc(F)cc1 23139623 HRFUWRZFKVPZID-UHFFFAOYSA-N 446.454 3.616 0 40 IHAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc(-n2ccnc2)cc1 24050947 PVCOHQITCOGKMR-UHFFFAOYSA-N 436.512 3.759 0 40 IHAB CCOC(=O)N[C@H](Nc1sc(C(C)=O)c(C)c1C(=O)OCC)C(=O)c1ccccc1 27018494 FAXRKUZTEQJYPQ-SFHVURJKSA-N 432.498 3.803 0 40 IHAB O=C(CCc1nnc(-c2ccccc2)o1)Nc1cc2c(cc1Br)OCCO2 27226204 RCLGNEXQROWQPU-UHFFFAOYSA-N 430.258 3.842 0 40 IHAB CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)c1ccc(OCc2c(C)noc2C)cc1 29230622 PHBOGEMPTSTKEA-UHFFFAOYSA-N 437.496 3.980 0 40 IHAB NC(=O)Nc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)c1 29804806 GNSUQTWHEYMWAR-UHFFFAOYSA-N 446.435 3.509 0 40 IHAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1cccnc1N1CCOCC1 31329113 BPKXUDFSXSXTSP-UHFFFAOYSA-N 430.867 3.604 0 40 IHAB Cc1ccc([C@H](CC(=O)OC(C)C)NC(=O)C[C@@H](NC(N)=O)c2cccc(C)c2)cc1 32456714 HKNYFMBVQXBIGC-RTWAWAEBSA-N 425.529 3.602 0 40 IHAB Cc1cc(C)n(-c2ccc(COC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)cc2)n1 32741306 MKJLAPAMZKNKCQ-UHFFFAOYSA-N 439.537 3.631 0 40 IHAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)N1CCC[C@H](c2nnc3ccccn23)C1 32904399 DUUDDRFIXXIEFT-HNNXBMFYSA-N 435.509 3.964 0 40 IHAB CCN1CCN(Cc2ccc(NC(=O)CCCNC(=O)c3ccc(Cl)cc3)cc2)CC1 32915636 GGTIOACGRVHCSD-UHFFFAOYSA-N 442.991 3.626 0 40 IHAB Cc1cccn2c(=O)cc(COc3ccccc3NC(=O)[C@H](C)Oc3ccccc3)nc12 33067854 JKTFRPUNIXEWMX-SFHVURJKSA-N 429.476 3.988 0 40 IHAB CO[C@@H]1CCC[C@H](C(=O)N2CCC[C@H](c3nc4sc5c(c4c(=O)[nH]3)CCCC5)C2)C1 36714049 TUONCFBTWJOUTN-HRCADAONSA-N 429.586 3.775 0 40 IHAB COCCCN1CN(c2ccc(OC)cc2)c2nc(C)c(Cc3ccccc3)c(=O)n2C1 38829969 YURKHMRDGQPXTK-UHFFFAOYSA-N 434.540 3.556 0 40 IHAB CC[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1)c1ccccc1 44903487 MTRSTBYOTXSRKH-DHIUTWEWSA-N 428.598 3.929 0 40 IHAB Cc1ccccc1Oc1nccn2c(=O)n(CC(=O)Nc3ccc(Cl)c(Cl)c3)nc12 49008628 BOHYFLSVJLJMQE-UHFFFAOYSA-N 444.278 3.937 0 40 IHAB Cc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccc5nsnc5c4)cc3n2)cc1 57316025 HLZRGFNLCQGBIT-UHFFFAOYSA-N 445.533 3.860 0 40 IHAB C[C@H]1CN(Cc2csc(NC(=O)c3cnn(-c4ccc(Cl)cc4)c3)n2)C[C@@H](C)O1 58110129 RHTRGWYKIFFUPL-OKILXGFUSA-N 431.949 3.844 0 40 IHAB Cc1cc(CSc2ncccc2C(=O)Nc2ccn(Cc3cn4ccccc4n3)n2)no1 58216215 GDDOLDSJETYJRQ-UHFFFAOYSA-N 445.508 3.815 0 40 IHAB CCn1c(C)cc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(Br)s3)C2=O)c1C 58305084 WRIVFWCODBDJLQ-SFHVURJKSA-N 438.347 3.599 0 40 IHAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 58969503 NNSULACJXKMLTG-GOSISDBHSA-N 446.569 3.545 0 40 IHAB CCCc1noc2nc(C3CC3)cc(C(=O)NCCN3CCN(c4cccc(C)c4)CC3)c12 70016540 QMZHAJYVRYOJTA-UHFFFAOYSA-N 447.583 3.913 0 40 IHAB C[C@H](Nc1ncc(C(N)=O)c(CCNC(=O)c2ccc3c(c2)CCCC3)n1)c1ccccc1 72352098 DAQWYBCPGIEFPJ-KRWDZBQOSA-N 443.551 3.600 0 40 IHAB COc1ncc([C@@]2(O)CC[C@@H]3CN(CC(c4ccccc4)c4ccccc4)C[C@@H]32)c(OC)n1 72392659 NFEMEACWLJULNQ-QURRFSBHSA-N 445.563 3.855 0 40 IHAB CC[C@H](C)N1CN(c2ccccc2)C2(CCN(C[C@@H]3COc4ccccc4O3)CC2)C1=O 73335087 DTTVXMWPIYNNBR-RBBKRZOGSA-N 435.568 3.766 0 40 IHAB CC(C)Cn1nc(C(=O)N2CC[C@@H](OCCCc3ccccc3)C2)c2ccccc2c1=O 79024732 VMNUXUYBSVHBLP-OAQYLSRUSA-N 433.552 3.916 0 40 IHAB CCN(CC)CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ncn(C)c1Cl 95944159 MTADOPQMCINDQO-UHFFFAOYSA-N 438.903 3.629 0 40 IHAB COc1cccc(C(=O)COc2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H]([C@H]6C[C@H]56)[C@@H]4C3=O)cc2)c1 100846012 SJLOWJZQCCYZGS-JKNQRQLFSA-N 429.472 3.514 0 40 IHAB COc1cccc(Cn2c(=O)[nH]c3ccccc3/c2=N\C(=O)Nc2cccc(OC)c2)c1 101113930 JXSFGCSBHHTSGO-HPNDGRJYSA-N 430.464 3.528 0 40 IHAB COc1ccc([C@H]2c3c(ncn(CCO)c3=N)Oc3ccc4ccccc4c32)cc1OC 101156591 OQZBCECPWQXDRU-OAQYLSRUSA-N 429.476 3.811 0 40 IHAB CCOc1ccc(CCN2C(=O)[C@H](C(=O)O)[C@H]3C[C@@]2(C)Oc2ccccc23)cc1OCC 101345046 PBDBDEWPQZIOMJ-QRJOEMBSSA-N 439.508 3.852 0 40 IHAB CC(=O)O[C@@H]1[C@@H](c2ccc(=O)oc2)[C@@]2(C)CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@]23O[C@H]13 118913282 SCULJPGYOQQXTK-JVVGQWBNSA-N 442.552 3.800 0 40 IHAB CC[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 222497333 QYLSFQKAZNBXJY-SUMWQHHRSA-N 442.940 3.910 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](C)c3ccc4c(c3)CCC4)C2)cc1 223258290 PRGMSIBJTGESPW-PGRDOPGGSA-N 426.582 3.762 0 40 IHAB COc1cc(C)c([C@H](C)NC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)cc1C(C)C 223324276 WEMUMSDRJFCUHV-KRWDZBQOSA-N 447.601 3.861 0 40 IHAB COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(F)c1 223731394 GAFOMYVCDSFINH-FCHUYYIVSA-N 438.528 3.937 0 40 IHAB CCCc1ccc(OCCNC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1 224010688 KCHQONBRJAWRGW-MRXNPFEDSA-N 438.977 3.642 0 40 IHAB COC(=O)CN(c1ccc(Cl)c(C(=O)OC)c1)S(=O)(=O)c1ccc2ccccc2c1 225064108 YVGRSUIZDHAWAI-UHFFFAOYSA-N 447.896 3.648 0 40 IHAB CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CCCOc1ccccc1 225460870 LFMGQAMQABQPLL-INIZCTEOSA-N 433.346 3.771 0 40 IHAB Cc1nc2c(c(N3CCC(NS(=O)(=O)c4cccc(Cl)c4C)CC3)n1)CCCC2 225740363 OWMXSEUNJQEJNE-UHFFFAOYSA-N 434.993 3.573 0 40 IHAB COc1ccc(S(=O)(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)c(OC)c1 231423106 VGCRIOGVKXTHSA-UHFFFAOYSA-N 431.341 3.522 0 40 IHAB CCCC[C@](C)(O)[C@H]1C[C@@]23C=C[C@@]1(OC)[C@]1(C)Oc4c(O)ccc5c4[C@]21CCN(C)[C@H]3C5 253504944 NODDVOPQRZIFJX-GQMXTBRCSA-N 439.596 3.944 0 40 IHAB biogenic,in-vitro C/C=C/C=C/C=C/[C@H](O)[C@H](C)[C@H](CC[C@H](C)[C@@H]1OC(=O)C=C[C@@H]1C)OP(=O)(O)O 255995165 PQNNIEWMPIULRS-ZSXAZUPTSA-N 428.462 3.684 0 40 IHAB C[C@@]12CC[C@@H](C[C@H]1C(=O)Nc1ccc3c(c1)OCCO3)[C@]1(C2)NC(=O)c2ccccc2N1 257252348 JUMOVZMXOBGPGM-LABJLHMGSA-N 433.508 3.774 0 40 IHAB NC(=O)C1(Cc2ccccc2-c2cccs2)CCN(C(=O)c2n[nH]c3c2CCCC3)CC1 257322865 WHTIEOQZFUTTAD-UHFFFAOYSA-N 448.592 3.967 0 40 IHAB COc1ccc(OC)c(N([C@@H](C)C(=O)N[C@H](C)c2cc(C)c(C)cc2C)S(C)(=O)=O)c1 260928676 KJNMNOSBFMTMEA-MSOLQXFVSA-N 448.585 3.661 0 40 IHAB COc1cc(NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)c(OC)cc1Cl 408614867 IYPSDIRGRPBYDN-UHFFFAOYSA-N 440.949 3.885 0 40 IHAB CC(=O)c1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)c1 408672293 VEJKOUOEARHQKD-AWEZNQCLSA-N 449.290 3.731 0 40 IHAB COc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)S/C(=C\c2ccco2)C1=O 408873174 OBMRBUYEIJXLPU-ZSOIEALJSA-N 426.372 3.982 0 40 IHAB CCN1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cc(C)cc(C)c3)c2)CC1 409410647 ZBWLZDXFBOTXLV-UHFFFAOYSA-N 435.977 3.535 0 40 IHAB COc1cc(/C=C\C(N)=O)cc(I)c1OCc1cccc(F)c1 409416230 KRFKPFAJACSXFU-WAYWQWQTSA-N 427.213 3.516 0 40 IHAB Cn1ccc2ccc(NC(=O)C3CCN(c4ccc5cccc(O)c5n4)CC3)cc2c1=O 570150330 YAEYCFHYPYTLIC-UHFFFAOYSA-N 428.492 3.647 0 40 IHAB Cc1noc(C[C@H](NC(=O)Nc2nnn(Cc3ccccc3F)c2C)c2ccccc2)n1 670051566 ARDQYZMCCDFZGT-IBGZPJMESA-N 435.463 3.571 0 40 IHAB Cc1ccc(Cc2c(F)cccc2Cl)c(CC(=O)O[C@@H](C)C(=O)O[C@H](C)C(=O)O)c1 2060993164 ZNRAPIZSWAGHEY-KGLIPLIRSA-N 436.863 3.869 0 40 IHAB O=C(NN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)c1ccc(Cl)cc1 825760 OWEMRTXJXKWHGO-UJKMTWAASA-N 428.875 3.877 0 40 IHAB CCOC(=O)c1cccc(NC(=O)CSc2nnc(COc3ccc(C)cc3)n2C)c1 894331 KSACXPPVQVQLSV-UHFFFAOYSA-N 440.525 3.610 0 40 IHAB COc1cc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)ccc1O 2583017 RNGOFAFWPOOZJT-NRFANRHFSA-N 433.460 3.935 0 40 IHAB biogenic Cc1ccc(S(=O)(=O)NC(=O)n2cc(-c3ncc(C(F)(F)F)cc3Cl)cn2)cc1 3133266 FMELZUUNCLCRQF-UHFFFAOYSA-N 444.822 3.872 0 40 IHAB CC(=O)c1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2C(F)(F)F)c1 3411891 TYZUICZPYDKNTQ-KRWDZBQOSA-N 440.443 3.700 0 40 IHAB CCCCc1nnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N(CC)CC)c2)s1 3433275 XYKABTQJPMRYGC-UHFFFAOYSA-N 430.983 3.817 0 40 IHAB C[C@H]1CCCC[C@@]12NC(=O)N(Cc1nnc(-c3ccc(Br)s3)o1)C2=O 8734661 HSONPRXCZZXMOQ-XXFAHNHDSA-N 425.308 3.561 0 40 IHAB Cc1cc(C)cc(NC(=O)CN2CCC(C(=O)NCCc3c[nH]c4ccccc34)CC2)c1 9067734 LUYTZNNFXMOYAD-UHFFFAOYSA-N 432.568 3.794 0 40 IHAB CS(=O)(=O)Nc1ccc(C2=NN(C(=O)c3ccco3)[C@@H](c3cccc(F)c3)C2)cc1 9392156 GMMPPZJUHXUVDT-LJQANCHMSA-N 427.457 3.782 0 40 IHAB CC(C)CC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@@]3(CCCc4sccc43)C2=O)cc1 9442400 UFIYOUAPVZNCNE-HSZRJFAPSA-N 439.537 3.699 0 40 IHAB Cc1cc(C(=O)CSc2nnnn2C[C@H]2CCCO2)c(C)n1CCc1ccc(F)cc1 9640291 UGPBTBBCHLMSML-LJQANCHMSA-N 443.548 3.627 0 40 IHAB Cc1ccc(C)c(N(CC(=O)Nc2ccc(Cl)c(Cl)c2)S(=O)(=O)N(C)C)c1 9694867 MGYMCICVNDDWIF-UHFFFAOYSA-N 430.357 3.862 0 40 IHAB COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(C)c3)C(=O)N2Cc2ccco2)cc1 9933956 LYNRTTQXBQVVOT-OAQYLSRUSA-N 433.464 3.963 0 40 IHAB Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCCn2c(C)nc3ccccc32)cc1 10737368 OSWXYDPDTDUJEO-UHFFFAOYSA-N 448.548 3.884 0 40 IHAB COc1ccc([C@@H]2CN(C(=O)c3csc(C(C)=O)c3)C[C@H]2c2cc(O)nc(C)n2)cc1 12163625 AMBCQNMCHAKBCS-RBUKOAKNSA-N 437.521 3.787 0 40 IHAB COc1ccc(CN2CCC(c3noc(-c4cnc(C)cn4)n3)CC2)cc1Br 12187347 DYTBNBDCGHDYNT-UHFFFAOYSA-N 444.333 3.986 0 40 IHAB O=C(NCc1ccccc1F)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O 12608772 IIJKUGSXGKYZMJ-UHFFFAOYSA-N 435.908 3.890 0 40 IHAB C[C@@H](NC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)c1ccc(F)c(F)c1 12817921 KFNDJGLVWNXTHB-WSYSLRRZSA-N 434.508 3.855 0 40 IHAB O=C1NCCCC[C@@H]1Sc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCC3 12886043 DFLDTAMWKWHIFJ-SFHVURJKSA-N 439.606 3.950 0 40 IHAB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N(C)Cc2ccc(C)o2)cc1 12998885 WARVIWQJTADBHO-UHFFFAOYSA-N 428.510 3.694 0 40 IHAB C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 13096364 VVMOMEBYGVQMAO-UZLBHIALSA-N 444.553 3.957 0 40 IHAB CCc1cc2c(SCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)O)ncnc2s1 13253936 BOVBQUPRTAFWPO-KRWDZBQOSA-N 440.550 3.639 0 40 IHAB CCOc1ccc([C@@H](c2nnnn2Cc2ccco2)N2CCN(c3ccccc3)CC2)cc1 13505074 JMNYASWZLWONLZ-DEOSSOPVSA-N 444.539 3.625 0 40 IHAB COc1ccc(C)cc1NC(=O)COc1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 13584764 UPRPQAWTPLXPCA-UHFFFAOYSA-N 440.521 3.846 0 40 IHAB COc1ccc(C)cc1N(CC(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 13669040 XUSYIUZFYKLBFV-QGZVFWFLSA-N 432.586 3.945 0 40 IHAB Cc1ccc(-c2ccc(=O)n(CCCNS(=O)(=O)c3c(C)cc(C)cc3C)n2)cc1 13798747 OLVXVWMDDIWYJJ-UHFFFAOYSA-N 425.554 3.513 0 40 IHAB COc1ccc(C2=N/C(=C/c3ccc(OS(=O)(=O)c4ccccc4)cc3)C(=O)O2)cc1 13942126 ZGGFOHPDXLSFGJ-RCCKNPSSSA-N 435.457 3.807 0 40 IHAB COc1ccc([C@@H]2CCCN2C(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)cc1 15541695 ARWIJJIMYWTJKA-NRFANRHFSA-N 446.544 3.986 0 40 IHAB O=C(NC1CCCCC1)N[C@H](CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 16480221 ROPWVJZLQNHKMZ-JOCHJYFZSA-N 438.524 3.864 0 40 IHAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(CN2C(=O)c3cccc4cccc2c34)CC1 16876730 RZDOGVIXMLVJOT-UHFFFAOYSA-N 429.476 3.837 0 40 IHAB CCOC(=O)N1CCN(CC(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)o2)CC1 17098850 GNOMJRVGTQJTGA-UHFFFAOYSA-N 434.496 3.721 0 40 IHAB Cc1nc(S[C@H](C)C(=O)N2c3ccccc3NC(=O)C2(C)C)n(C[C@@H]2CCCO2)c1C 18596564 PYLCSIFIFKWVBA-SJORKVTESA-N 442.585 3.923 0 40 IHAB C[C@H](C(=O)c1ccc(F)cc1)N1CCC(O)(CN2CCCC[C@@H]2c2cccnc2)CC1 19080825 CDHKEHPWTKXFLB-AUSIDOKSSA-N 425.548 3.846 0 40 IHAB CCCN1CCN(C(=O)c2ccnn2C)C[C@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 19502754 SYWDUHCPYYIPSR-NRFANRHFSA-N 448.542 3.780 0 40 IHAB COc1ccc(CN2CCN(C)C(=O)[C@@H](Cc3ccccc3-c3cccnc3)C2)c(OC)c1 19589639 LCFHBSNERWKJCQ-QHCPKHFHSA-N 445.563 3.899 0 40 IHAB CNC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2cc(OC)ccc2OC)C1 19591675 FVSUFHAYDHOAAO-MHZLTWQESA-N 445.563 3.947 0 40 IHAB CNc1nc([C@@H]2CCCNC2)nc2c1CCN(C(=O)c1ccccc1-c1ccccc1)C2 19708850 JTJIMYABMGDPKA-LJQANCHMSA-N 427.552 3.851 0 40 IHAB CCN(C(=O)c1cccc(-n2cccn2)c1)[C@@H]1CCO[C@H](c2ccc(C(=O)N(C)C)cc2)C1 19712702 KIOPLXCJOWTTNY-VWNXMTODSA-N 446.551 3.957 0 40 IHAB COc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cnc(C)nc3C)CC2)c1 19747036 SKUFHJDOTBGXOO-HSZRJFAPSA-N 436.556 3.649 0 40 IHAB Cc1nc([C@H]2CCN(C(=O)Cc3ccccn3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 19753417 MUXWEDQBQZIGJQ-INIZCTEOSA-N 435.915 3.644 0 40 IHAB CCc1ncc(CN2CCC(c3ccc(C(=O)Nc4ccccc4OC)c(N)n3)CC2)cn1 19765842 FTTQTCFGKBSUPO-UHFFFAOYSA-N 446.555 3.657 0 40 IHAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@H]5O[C@@]5([C@@H](C)OC(C)=O)[C@@]4(CO)CC[C@@H]32)C1 19897759 DWYNCPYCKLCUCM-LKIOPPNTSA-N 432.557 3.552 0 40 IHAB biogenic,in-vitro O=C(Cc1ccccc1Cl)Nc1ccc(S(=O)(=O)NCC(=O)c2ccccc2)cc1 20094941 RDGDIUWVSIEJRJ-UHFFFAOYSA-N 442.924 3.682 0 40 IHAB C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 20107154 QVFVKGCYTNSMHW-OAHLLOKOSA-N 428.539 3.538 0 40 IHAB OCCN1CCN(c2ncnc3c2sc2nc(-c4ccccc4)c4c(c23)CCC4)CC1 20358958 KERXGVFBUVWXIX-UHFFFAOYSA-N 431.565 3.510 0 40 IHAB Cc1ccc(NC(=O)CSc2ncc3c(n2)-c2ccccc2N(C)S3(=O)=O)cc1C 20582680 PTCSZNHFBBCRJS-UHFFFAOYSA-N 440.550 3.630 0 40 IHAB CCCOc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)C(F)(F)F)CC3)cc2)cc1 21123729 MXYXCRCQJUSNCW-UHFFFAOYSA-N 435.446 3.939 0 40 IHAB CC1(C)CC(=O)CC(C)(C)N1OC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 22079861 ZRSPWXXFQAZAKY-NRFANRHFSA-N 448.519 3.574 0 40 IHAB CS(=O)(=O)N(Cc1ccccc1F)c1ccc(OCC(=O)N2CCCCCC2)cc1 22233687 RGXVKCPWAPXDCA-UHFFFAOYSA-N 434.533 3.573 0 40 IHAB CCOC(=O)Cc1csc(NC(=O)[C@H](NC(=O)c2ccc(Cl)cc2)[C@H](C)CC)n1 22282557 RBYCCXYIVDCOIC-SJKOYZFVSA-N 437.949 3.685 0 40 IHAB CCCOc1ccc(N(CC(=O)N[C@@H](CC)c2ccc(OC)cc2)S(C)(=O)=O)cc1 22398301 GQASTZQWHXSKHO-NRFANRHFSA-N 434.558 3.518 0 40 IHAB CCN(Cc1cccc(F)c1)C(=O)CN(Cc1ccco1)S(=O)(=O)c1ccc(C)cc1 24776328 ZWEZVRSNPXEMSH-UHFFFAOYSA-N 444.528 3.967 0 40 IHAB COc1ccc([C@H](CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)N2CCCC2)cc1 25653672 WKDAHMOVFUVHLX-IBGZPJMESA-N 428.476 3.829 0 40 IHAB CNC(=O)c1ccc(CN(C)C(=O)c2nn(-c3cccc(C(F)(F)F)c3)cc2OC)cc1 31527807 RWTICJBBCZCACZ-UHFFFAOYSA-N 446.429 3.532 0 40 IHAB CC1=C(C(=O)N(C)C)[C@@H](c2ccc(F)cc2F)NC(=S)N1c1ccc2c(c1)OCCO2 32665958 NYLZKRHUCXNIDT-HXUWFJFHSA-N 445.491 3.534 0 40 IHAB CCOc1ccc(N[C@@H](C)c2nnc(-c3ccc(OC)cc3)o2)cc1S(=O)(=O)N(C)C 32814599 VRAOPSNZQGADKX-AWEZNQCLSA-N 446.529 3.567 0 40 IHAB COc1cc(NC(=O)CSc2nc(-c3ccco3)nc(C)c2C(C)=O)cc(OC)c1 32902144 IEYKDGDKEFHHNF-UHFFFAOYSA-N 427.482 3.996 0 40 IHAB CCCN(Cc1nnc(-c2cccs2)o1)S(=O)(=O)c1ccc2c(c1)OCCCO2 33047880 NJSPYIQWQRFPOO-UHFFFAOYSA-N 435.527 3.560 0 40 IHAB CC[C@@H](C)NC(=O)CCn1c(=O)c2ccccc2n2c(SCc3ccccc3C)nnc12 33292031 FTFXVJDWUNAUEI-QGZVFWFLSA-N 449.580 3.950 0 40 IHAB Cc1nc(-c2cccc(NC(=O)CN3CCN(C(=O)c4cccs4)CC3)c2)cs1 35400171 AAVWTGLBNHNWQQ-UHFFFAOYSA-N 426.567 3.577 0 40 IHAB Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccc(Cl)cc4)[nH]c(=O)c32)c(F)c1 40399328 AUPXGWHYZZNTJW-ZDUSSCGKSA-N 441.850 3.679 0 40 IHAB CCc1ccccc1NC(=O)CN1CN(c2cccc(F)c2)c2ncccc2S1(=O)=O 49411512 GBXOEUSFAYMEDZ-UHFFFAOYSA-N 440.500 3.522 0 40 IHAB Nc1c(Br)cc(Br)cc1N1CCN(C(=O)c2ccccc2)CC1 57332523 JQFGWPRQBJMQKS-UHFFFAOYSA-N 439.151 3.756 0 40 IHAB CCn1c(CN(C)[C@H]2CCCc3ccccc32)nc2cc(S(=O)(=O)N(C)C)ccc21 58159654 VOUOZCHHEVVTLG-NRFANRHFSA-N 426.586 3.816 0 40 IHAB Cc1cc2nc(SCC(=O)NCCCc3ccccc3)n(Cc3ccco3)c(=O)c2[nH]1 67236449 SMLSHPQRZJNCRH-UHFFFAOYSA-N 436.537 3.515 0 40 IHAB COc1cc(C)c2[nH]c3c(c(=O)c2c1)CN(CC(=O)Nc1cccc(Cl)c1C)CC3 67349940 VGVCCICCMKOWNG-UHFFFAOYSA-N 425.916 3.804 0 40 IHAB Cc1cc(-c2cnc(N3CCC[C@H](C)C3)nc2C2CCN(C(=O)C(F)(F)F)CC2)on1 72335874 IACZWZGWQHLMAX-ZDUSSCGKSA-N 437.466 3.945 0 40 IHAB CN1CCN(c2ccc3c(-c4ncc(C(=O)NCCc5ccccc5)s4)noc3c2)CC1 96154591 ZGLUBNKDYCTPSP-UHFFFAOYSA-N 447.564 3.676 0 40 IHAB C[C@@]1(C(=O)c2ccccc2)[C@H]2c3c(ccc4ccccc34)OC(=O)[C@@]21C(=O)N1CCOCC1 100150386 KGGKQXXXUWSSQX-ICTDUYRTSA-N 441.483 3.590 0 40 IHAB Cc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4cc(Cl)ccc4C)[C@@H]3C2=O)cc1Cl 101083665 SRXLHPSHQYARGK-ROUUACIJSA-N 446.294 3.542 0 40 IHAB C[C@@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3)C(=O)NC[C@H]1CC[C@H](C(=O)O)CC1 101216675 QKRZEZBFCPKTNX-MCIONIFRSA-N 447.915 3.710 0 40 IHAB CC(C)(C)NC(=O)CSc1nc2ccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc2s1 105942049 WEXXRQGWVGTJBI-ZIAGYGMSSA-N 431.583 3.983 0 40 IHAB COC(=O)c1ccc([C@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 137625274 XDXJZBUCGIEITE-RJGXRXQPSA-N 442.471 3.520 0 40 IHAB CC(=O)c1ccc(N2CCN(C(=O)CSC(=S)N3[C@@H](C)CCC[C@@H]3C)CC2)cc1 215754296 DFFXWCRKAUSMKX-IRXDYDNUSA-N 433.643 3.819 0 40 IHAB CCCNC(=O)c1ccccc1NC(=O)[C@@H](CC)N(c1cc(C)ccc1C)S(C)(=O)=O 220544688 KITJHJOFMBUOML-HXUWFJFHSA-N 445.585 3.627 0 40 IHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1Cl 222514556 YVQGVXYGOPYIEF-ZDUSSCGKSA-N 437.949 3.516 0 40 IHAB CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CSCc1c(F)cccc1Cl 222828867 HEKBJQNBVQVPCZ-AWEZNQCLSA-N 438.952 3.884 0 40 IHAB COc1cccc(CN(C(=O)COc2ccccc2F)[C@H](C)C(=O)NC2CCCC2)c1 224043288 FFNGYDMGEVPJHZ-QGZVFWFLSA-N 428.504 3.689 0 40 IHAB Cc1cc(C)cc(OCCNC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2C)c1 224079311 GXOLHKDJWOMFOU-UHFFFAOYSA-N 444.597 3.985 0 40 IHAB CSc1ccc(S(=O)(=O)N(C)CC(=O)NCCSc2ccc(Cl)cc2)cc1 224666832 KZOVJUDGLYLSDI-UHFFFAOYSA-N 445.031 3.591 0 40 IHAB CCN(CC)C(=O)Cc1c(C)nc([C@@H]2CCCN(C(=O)Cc3ccc(C)cc3)C2)nc1C 257240866 HVMWTPOBOBLMLK-JOCHJYFZSA-N 436.600 3.761 0 40 IHAB CCN1CCN(C(=O)c2cc(C(C)(C)C)n[nH]2)[C@H](Cc2cccc(-c3ccncc3)c2)C1=O 257251456 JQVJHASTJAZBIZ-JOCHJYFZSA-N 445.567 3.685 0 40 IHAB CCOc1ccc(N([C@@H](C)C(=O)N[C@H](CC)c2ccc(OC)c(C)c2)S(C)(=O)=O)cc1 260790543 GPSFYSKEVZCMCG-LAUBAEHRSA-N 448.585 3.824 0 40 IHAB CC[C@@H](NC(=O)[C@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 260928774 KTWXJZUPVYTJQZ-GAJHUEQPSA-N 444.597 3.996 0 40 IHAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)cc1C 408584103 LPPIBUFQHJGEJZ-SFHVURJKSA-N 438.549 3.576 0 40 IHAB COc1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc3ccccc3c2)c(OC)cc1Cl 408592842 MCPILFFPCYYOFC-CYBMUJFWSA-N 448.928 3.816 0 40 IHAB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccc(Br)cc1 408664020 YOBWNDWBGJIPOR-ZDUSSCGKSA-N 436.689 3.882 0 40 IHAB Cc1cc(NC(=O)N2CC=C(c3cccc4ccccc34)C2)n([C@@H]2CCS(=O)(=O)C2)n1 541066383 AAUWWWJYSYCTSL-LJQANCHMSA-N 436.537 3.635 0 40 IHAB O=C(c1ccccc1)N1CCO[C@@]2(C1)C(=O)N(Cc1cccs1)C[C@@H]2c1ccccc1 585107173 QLSMSZRRLWJAJC-RCZVLFRGSA-N 432.545 3.786 0 40 IHAB O=C(Cc1noc2ccccc12)N1CCC(Cn2nc(-c3ccc(F)cc3)ccc2=O)CC1 585147573 ZYZJLEMYEQOKIQ-UHFFFAOYSA-N 446.482 3.672 0 40 IHAB CCC(=O)N1CC[C@H]2CCC[C@@H](CN(C(=O)CC[C@@H]3CCCO3)Cc3ccccc31)N2C 643577285 GGFIOJDOWXFMNO-VJBWXMMDSA-N 441.616 3.974 0 40 IHAB CCOC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@]12C)[C@@]1(C)CC[C@@H](O)C[C@@H]1C[C@H]3O 1547208466 FPDXMWHJGOCDQJ-RYUFNODHSA-N 436.633 3.927 0 40 IHAB Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)NCc4cn(C)nc4C)c3N2)cc1 647158 XUVGWVCFQXCKRE-ZWKOTPCHSA-N 432.450 3.824 0 40 IHAB CN(Cc1ccccc1)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 827574 PHBCBMPEQQJHLE-UHFFFAOYSA-N 434.867 3.783 0 40 IHAB COc1cc(Br)c([C@@H]2NC(=O)NC(C)=C2C(=O)OCCC(C)C)cc1OC 870706 RLBMFWBWYDIXTJ-KRWDZBQOSA-N 441.322 3.684 0 40 IHAB CCN(CC)CCNc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3 2281165 BDSHHQZMJSYVRC-UHFFFAOYSA-N 440.617 3.709 0 40 IHAB Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4c3ccc(C)c4C)[C@@H]2C1=O 2453250 MILNJVZYCPJSNJ-UJAPCULTSA-N 449.938 3.696 0 40 IHAB CSc1ccccc1NC(=O)CN(C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 2650914 OGGXYBHVWKMGCI-UHFFFAOYSA-N 427.448 3.816 0 40 IHAB COc1ccc(-c2nnc(S[C@@H](C)C(=O)N3CCc4ccccc4C3)o2)cc1OC 3369008 JFOZOLIZGMZHHE-AWEZNQCLSA-N 425.510 3.819 0 40 IHAB CCOC(=O)c1c(NC(=O)CSc2nc3ccccc3c(=O)n2C)sc(C)c1C 3444023 UFTRTOKMCXYCQK-UHFFFAOYSA-N 431.539 3.519 0 40 IHAB C[C@]1(c2ccccc2Cl)NC(=O)N(CC(=O)Nc2ccc(Br)cc2)C1=O 3593607 FWWQWLTZTAQAFH-GOSISDBHSA-N 436.693 3.508 0 40 IHAB Cc1ccc(C)c(-n2c(SCC(=O)NC[C@H]3CCCO3)nnc2-c2ccoc2C)c1 4093504 GSHATTGVICZJAR-QGZVFWFLSA-N 426.542 3.840 0 40 IHAB COc1ccc2cc(CN(CCCN(C)C)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2c1 4231289 FZZGYVKFNMDQRU-UHFFFAOYSA-N 426.492 3.662 0 40 IHAB CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)N1CCN(c3cc(Cl)ccc3Cl)CC1)C(=O)C2 6148198 SXEPUCNUHGLCHC-XOBRGWDASA-N 445.412 3.841 0 40 IHAB Cc1cc(Cl)ccc1NC(=O)NC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 8828960 JDQKULNQUANCLK-UHFFFAOYSA-N 425.913 3.762 0 40 IHAB CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)CSc1ncnc2sccc12 8848042 WRLBVHKCDPAWRI-UHFFFAOYSA-N 445.957 3.722 0 40 IHAB C[C@@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)Nc1nc2ccccc2s1 9252883 SLUWZZBMZNQWJC-SECBINFHSA-N 430.338 3.909 0 40 IHAB Nc1c(N(CCC2=CCCCC2)C(=O)c2ccccc2)c(=O)[nH]c(=O)n1Cc1ccccc1 9477934 HTJKSOOUZOYVOT-UHFFFAOYSA-N 444.535 3.704 0 40 IHAB COc1ccc(C2=NN(C(=O)COC(=O)c3n[nH]c4ccccc34)[C@@H](c3ccco3)C2)cc1 9492051 QFNPRKNVIVDJJA-HXUWFJFHSA-N 444.447 3.699 0 40 IHAB CCOc1ccc(C(=O)Nc2nnc(SCC(=O)NCc3ccccc3)s2)cc1 9599988 BXORKDVETISWQY-UHFFFAOYSA-N 428.539 3.598 0 40 IHAB O=C([C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)N1CCC(Cc2ccccc2)CC1 9615895 RIRWHNJBEHTQRP-HXUWFJFHSA-N 432.611 3.630 0 40 IHAB Cc1cc(NC(=O)c2cn(C)cc3c(=O)n(-c4ccccc4)nc2-3)ccc1Br 9661366 CFPYCIIWQRIRMT-UHFFFAOYSA-N 437.297 3.999 0 40 IHAB Cc1cc(C(=O)CN2C(=O)NC(c3ccc(F)cc3)(c3ccc(F)cc3)C2=O)c(C)n1C 9713925 ICLOHDOUBJGGKT-UHFFFAOYSA-N 437.446 3.598 0 40 IHAB CC(=O)c1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2-n2cccc2)cc1 9737855 WBLGWLGIZHKLGB-UHFFFAOYSA-N 431.521 3.915 0 40 IHAB COc1ccc(NC(=O)Cc2csc(NS(=O)(=O)c3ccc(Cl)cc3)n2)cc1 9828527 JXIIXGIGKLJTCA-UHFFFAOYSA-N 437.930 3.787 0 40 IHAB O=C(/C=C1\SC(=O)N(CC(=O)Nc2cccc(C(F)(F)F)c2)C1=O)Nc1ccccc1 9833259 KHAOXGIUVNDYOO-GDNBJRDFSA-N 449.410 3.862 0 40 IHAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 10408259 ZUTOLFLPSCOLFU-KRWDZBQOSA-N 433.549 3.903 0 40 IHAB CCOc1ccc(C(=O)N2CCC(NS(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)cc1 10751547 ADXBNIDAHCMAKF-UHFFFAOYSA-N 444.597 3.902 0 40 IHAB O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(OCC(F)(F)F)cc1 10979965 ODNTZUBHROXVKK-UHFFFAOYSA-N 436.839 3.588 0 40 IHAB C[C@@H](C(=O)N1CCC2(CC1)C[C@@]1(CO2)NC(=O)c2cc(Cl)ccc2N1)c1ccccc1 12085529 FXULNVWODIJXFU-GYCJOSAFSA-N 439.943 3.777 0 40 IHAB CC(C)(O)C(=O)N1CCC[C@@H](c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)C1 12219811 NCKCHXMINGMMCQ-GFCCVEGCSA-N 438.475 3.954 0 40 IHAB C[C@@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 12525320 RAZRSFIAJYYWCD-OAHLLOKOSA-N 444.582 3.857 0 40 IHAB COc1ccccc1NC(=O)c1ccc(NC(=O)CN2CCN(c3ccccc3)CC2)cc1 12533450 PCOICPGJFYVEJY-UHFFFAOYSA-N 444.535 3.708 0 40 IHAB CCc1ccccc1Nc1nc(N)nc(CSc2nnc(Cc3csc(C)n3)o2)n1 12549258 LUCLKIAELAIUTE-UHFFFAOYSA-N 440.558 3.791 0 40 IHAB Cc1cc(N2CCN(C(=O)NCc3ccc(CN4CCCC4)cc3)CC2)nc(C(C)C)n1 12754138 BPGZZAMWEPBVKQ-UHFFFAOYSA-N 436.604 3.536 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1CCSc2ccccc21 13095347 RPEVWAJXLAFGCR-UHFFFAOYSA-N 445.610 3.720 0 40 IHAB Cc1ccc([C@]23CCC(=O)N2[C@@H](C(=O)Nc2ccc4c(C)cc(=O)oc4c2)CS3)cc1 13138739 WCBBGLPOSVFRTK-NTKDMRAZSA-N 434.517 3.939 0 40 IHAB COc1ccc(CCNC(=O)[C@H](Cc2ccccc2)N2Cc3ccccc3C2=O)cc1OC 13366280 CAKQIVIFIHXUCX-QHCPKHFHSA-N 444.531 3.630 0 40 IHAB biogenic O=C(COc1ccccc1Cl)NCCCn1nc(-c2ccc(Cl)cc2)ccc1=O 13801860 ZZMNNCGWNJWFFN-UHFFFAOYSA-N 432.307 3.802 0 40 IHAB Cc1ccc(OCC(=O)Nc2ccc(OCc3cc(=O)n4cccc(C)c4n3)cc2)cc1 15865422 UCUMIURZDKQDBB-UHFFFAOYSA-N 429.476 3.908 0 40 IHAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OCO4)n2-n2cccc2)cc1 15881910 JAFIYRAVCZBHJH-UHFFFAOYSA-N 449.492 3.526 0 40 IHAB Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 15961808 NOFOJLOGLKAEMH-UHFFFAOYSA-N 442.459 3.506 0 40 IHAB COc1ccc(Br)cc1C(=O)Nc1ccc(I)cn1 17098293 WWKMNWLDDQLKIJ-UHFFFAOYSA-N 433.043 3.710 0 40 IHAB CCc1ccc(CN(C)C(=O)CN2C(=O)N[C@@](C)(c3ccc(C(C)(C)C)cc3)C2=O)cc1 18350818 AMMCLKQMKUJUEB-SANMLTNESA-N 435.568 3.972 0 40 IHAB O=C1[C@@H]2[C@H](c3ccccc3)N3CCCN3[C@@]2(c2ccccc2)C(=O)N1c1ccc(F)cc1 19172790 ORAGLOOZRWYGIC-JCYRPKCISA-N 427.479 3.888 0 40 IHAB Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)Cn2ccnc2C(C)C)cc(N(C)C)n1 19240882 LYXYYBVAAMZCMC-NRFANRHFSA-N 445.571 3.752 0 40 IHAB CNc1cc(C2CCN(C(=O)c3cnn(C(C)C)c3)CC2)nc(-c2cnc(C)s2)n1 19287376 FRCQXBGMZULOEU-UHFFFAOYSA-N 425.562 3.747 0 40 IHAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCc2nc(N3CCCC3)[nH]c(=O)c2C1 19293112 JJYCUAZVOYNRRN-UHFFFAOYSA-N 441.841 3.633 0 40 IHAB CC(=O)N[C@H](CC(=O)N1CCC(c2ccc(-c3cc[nH]n3)cn2)CC1)c1ccc(F)cc1 19689221 LWZCZRLRPDEZIX-HSZRJFAPSA-N 435.503 3.584 0 40 IHAB COc1cccc(-c2cc(C)nc(C3CCN(C(=O)Cn4c(C)cc(C)nc4=O)CC3)c2)c1 19690986 KRCPRBLJHARWOI-UHFFFAOYSA-N 446.551 3.645 0 40 IHAB CCOC(=O)[C@@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@@H]1c1ccc(CC)cc1 19818364 JYFICJGJWVHNNI-FCHUYYIVSA-N 435.524 3.751 0 40 IHAB CCOc1ccc(NC(=O)COc2ccc(Cl)cc2S(=O)(=O)N(CC)CC)cc1 22248745 CMJMRZGXIXOFRX-UHFFFAOYSA-N 440.949 3.787 0 40 IHAB COC(=O)c1ccccc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1cccs1 22381647 UNOMOIVWSFNOJB-UHFFFAOYSA-N 448.497 3.508 0 40 IHAB COC(=O)c1cccc(S(=O)(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c1 24259649 AWWWLZQZCXVTSV-MRXNPFEDSA-N 438.505 3.765 0 40 IHAB CCOC(=O)c1c(NC(=O)[C@@H](C)OC(=O)c2cc(N)ccc2F)sc2c1CC[C@H](C)C2 25054317 BUKJVRCGISGZLE-NWDGAFQWSA-N 448.516 3.955 0 40 IHAB CC(=O)c1ccc(N2CCN(Cc3nc(O)c4ccc(C(F)(F)F)cc4n3)CC2)cc1 25765403 FACYSLVRQVYMQN-UHFFFAOYSA-N 430.430 3.879 0 40 IHAB O=C(NCCSCc1ccc(Br)s1)[C@H]1CCCN1C(=O)c1ccco1 30513034 MHUVGXJEWWUQDV-CYBMUJFWSA-N 443.388 3.758 0 40 IHAB O=C(Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)c1ccc(I)cc1 32809408 RKTJCXZZSPTKRV-MRXNPFEDSA-N 436.249 3.661 0 40 IHAB COc1c([C@@H]2CC(=O)Nc3c2ncn3-c2cccc(Cl)c2)cc2c(c1OC)OCO2 35324420 LMKBZHRNLRTSBZ-ZDUSSCGKSA-N 427.844 3.746 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(COc4ccccc4)o3)C2)cc1 35596952 GWPWMSYLERYEET-QGZVFWFLSA-N 443.525 3.616 0 40 IHAB Cc1cc(C)n2nc(SCc3ccccc3C(=O)Nc3ccc(N(C)C)nc3)nc2n1 36397085 BHUZUQAJLXKECN-UHFFFAOYSA-N 433.541 3.747 0 40 IHAB C[C@H](OC(=O)CNC(=O)c1sc2ccccc2c1Cl)C(=O)N[C@@H]1CCCC[C@@H]1C 36420502 XDIKRBALKWNFBN-KCQAQPDRSA-N 436.961 3.911 0 40 IHAB COC(=O)c1cccc(NC(=O)CSc2nnc(COc3cc(C)cc(C)c3)n2C)c1 38536866 BOPJXRBBPCJCJI-UHFFFAOYSA-N 440.525 3.528 0 40 IHAB Cc1sc2nc(CN3CCOCC3)nc(Sc3nnc4n3CCCCC4)c2c1C 40019899 IOWBLFWFZAYEHO-UHFFFAOYSA-N 430.603 3.609 0 40 IHAB COc1ccccc1[C@H]1C2=C(N=c3s/c(=C\c4ccco4)c(=O)n31)c1ccccc1CC2 40033075 UKZSNTRIQWMCLJ-FCKOQQNDSA-N 440.524 3.920 0 40 IHAB Cc1ccc(CN(C)C(=O)CS(=O)(=O)Cc2c(C)nn(-c3ccccc3)c2Cl)cc1 40127561 YSKYPJOQUNKATQ-UHFFFAOYSA-N 445.972 3.716 0 40 IHAB O=C(NCc1nnc2ccccn12)c1ccc(COc2ccc(Br)cc2)o1 40143897 QZHLFDDAYVXXHZ-UHFFFAOYSA-N 427.258 3.594 0 40 IHAB CCc1ccccc1NC(=O)Cn1c(=O)n(Cc2ccccc2F)c(=O)c2sccc21 57426734 GENDKSNOEKOPEL-UHFFFAOYSA-N 437.496 3.613 0 40 IHAB CN(C(=O)Cn1c(=O)n(-c2cccc(Cl)c2)c(=O)c2sccc21)C1CCCCC1 57491502 XVWBPWLZZMLLOV-UHFFFAOYSA-N 431.945 3.658 0 40 IHAB C[C@@H]1CN(Cc2ccc(CNC(=O)CC[C@@H]3Cc4ccccc4NC3=O)cc2)C[C@@H](C)O1 58082826 FLDPUDIBDQLUPU-DNVFCKCGSA-N 435.568 3.503 0 40 IHAB Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCCc2ccccc2)cc1 59444145 YYUBMGKHSXZPDI-UHFFFAOYSA-N 436.577 3.587 0 40 IHAB O=C(Nc1cccc(Cl)c1)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 64985268 ZQWAGWUDALMUPW-HXUWFJFHSA-N 428.897 3.935 0 40 IHAB CC[C@@H](C(=O)NC[C@@H](c1cccs1)N1CCCC1)n1nnc(-c2ccc(Cl)cc2)n1 70036663 UOTBZEZQXGAJDS-ROUUACIJSA-N 444.992 3.959 0 40 IHAB COc1ccc(C[C@H](CC(=O)Nc2ccccc2I)C(=O)O)cc1 71405993 RLSYPSDYGJPCEB-CYBMUJFWSA-N 439.249 3.572 0 40 IHAB CC(C)C(=O)N1CCCC[C@H]1c1nnc(C2CCN(Cc3cccnc3N(C)C)CC2)o1 72344934 VBHWZOLFZBNCFX-FQEVSTJZSA-N 440.592 3.620 0 40 IHAB CC(C)CN(Cc1nc2cc(Cl)ccc2s1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 79103769 BPGUHGQFIODMBR-UHFFFAOYSA-N 435.981 3.701 0 40 IHAB Cc1nc2cc(C(=O)N3CC[C@H]4[C@H](CCC(=O)N4C4CC4)C3)ccc2n1-c1ccccc1 89721631 RWOAFUWTAXCTIQ-XXBNENTESA-N 428.536 3.949 0 40 IHAB CCCNC(=O)Nc1cccc(OC(=O)c2cc3c(cc2Br)NC(=O)CO3)c1 96013417 DLZWPDSFLZYEOF-UHFFFAOYSA-N 448.273 3.531 0 40 IHAB C[C@@]12C=C[C@](CNC(=O)OCc3ccccc3)(O1)C(Cl)(Cl)C(=O)C2(Cl)Cl 100351634 NIDKTDKFJVFEBV-LSDHHAIUSA-N 439.122 3.927 0 40 IHAB CCCn1c(=O)c(C(=O)Nc2ccc(I)cc2)c(O)c2ccccc21 100498501 NLAWOTDREZXQBC-UHFFFAOYSA-N 448.260 3.974 0 40 IHAB CSc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3ccc(C)cc3)CC2)cc1 113956122 FNACBAUOQIXXTK-QGZVFWFLSA-N 432.611 3.995 0 40 IHAB CC(C)Oc1ccc(CNC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 113957909 QNQASVRWPHUGMB-UHFFFAOYSA-N 430.570 3.969 0 40 IHAB CCOc1ccccc1CCCNC(=O)[C@@H](C)N(c1ccc(CC)cc1)S(C)(=O)=O 220284518 UHXYCXRZOFBQKS-GOSISDBHSA-N 432.586 3.551 0 40 IHAB CCOC(=O)c1cccc(NC(=O)[C@@H](CC)N(c2cc(C)cc(C)c2)S(C)(=O)=O)c1C 220577808 MKUNRRJGMAXYBJ-OAQYLSRUSA-N 446.569 3.972 0 40 IHAB Cc1ccc(N(CC(=O)NCCOc2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1C 223629172 OSRZYYQGYKQRSA-UHFFFAOYSA-N 432.586 3.562 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)N[C@H](C)c1ccc(C)cc1C 223988045 WVEMZTSAZZFDGL-LJQANCHMSA-N 444.597 3.907 0 40 IHAB Cc1ccc(CN(C)S(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3)s2)cc1 224174864 OZLAHNLGXHEOGN-UHFFFAOYSA-N 436.946 3.573 0 40 IHAB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN1C(=O)c2cccc3cccc1c23 224658725 IWBVDSDLHOFFFR-QGZVFWFLSA-N 447.510 3.881 0 40 IHAB Cc1c(Cl)cccc1N(CCCC(=O)NCCc1ccc(F)cc1)S(C)(=O)=O 224773675 VKKXOFUVHAHKMA-UHFFFAOYSA-N 426.941 3.693 0 40 IHAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1cc(OC)cc(OC)c1 225119156 BLJNPMWLBWIHFZ-RBUKOAKNSA-N 442.556 3.723 0 40 IHAB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)[nH]2)cc1C 225283464 OCUFEIYMZCGZJI-FCHUYYIVSA-N 435.553 3.789 0 40 IHAB CC1CCN(c2cc(Oc3ccccc3)nc(NC(=S)NC[C@H]3CCCO3)n2)CC1 225908215 KBRNKQVMALRRTP-GOSISDBHSA-N 427.574 3.971 0 40 IHAB CN(C)CCOc1ccc(C(=O)N2CCC[C@@H](c3cccc(Nc4cnccn4)n3)C2)cc1 257200305 ACUWYLRZFITBRR-HXUWFJFHSA-N 446.555 3.575 0 40 IHAB NC(=O)c1cccc(-c2cccc([C@@H]3CN(C(=O)CCc4ccc(F)cc4)CCO3)n2)c1 257270262 MTLBQDYJVAIFEL-QHCPKHFHSA-N 433.483 3.519 0 40 IHAB CC(=O)N1[C@@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)COc1cccnc1 257300616 RVBMFOVCAMVRBY-GAYSTUHSSA-N 447.579 3.852 0 40 IHAB Cc1ccc(SCCNC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 408546594 FMYFPPGHBRWDCO-OAHLLOKOSA-N 426.991 3.711 0 40 IHAB COc1ccc(-c2ccc(CCC(=O)O)n2NC(=O)C(=O)Nc2cccc(Cl)c2)cc1 408563412 VSHGKNGGNZJHDP-UHFFFAOYSA-N 441.871 3.543 0 40 IHAB CNC(=O)C(=O)Nn1c(C(=O)Nc2cc(Cl)cc(Cl)c2)cc2cc(Cl)ccc21 408602531 DPTJIVJUZGNDIG-UHFFFAOYSA-N 439.686 3.670 0 40 IHAB COc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2cccc(C(C)=O)c2)cc1 408645932 MUOGCHXUFDCLTP-UHFFFAOYSA-N 431.444 3.924 0 40 IHAB COc1ccc(Cl)cc1N1C[C@H](C(=O)OCC(=O)Nc2cc(C)ccc2C)CC1=O 408647047 SAYNTXPGAUMYOU-OAHLLOKOSA-N 430.888 3.500 0 40 IHAB CN1Cc2cccc(-c3n[nH]c4c3CCN(C(=O)Cc3c(F)cc(F)cc3F)CC4)c2C1 585110330 GRJPMTSBIFVVKB-UHFFFAOYSA-N 440.469 3.609 0 40 IHAB Cc1cnc(NC(=O)CN2CCC[C@](O)(COc3cc(C)c(Cl)c(C)c3)CC2)s1 2037912228 ICADNYMKQYBDDW-OAQYLSRUSA-N 437.993 3.956 0 40 IHAB O=C(Nc1nc(-c2ccncc2)cs1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 755258 OIJIMRPZEPUKIF-UHFFFAOYSA-N 428.539 3.632 0 40 IHAB COc1cc(OC)cc(-c2nnc(SCC(=O)Nc3ccc(C(=O)O)cc3)s2)c1 2239654 MSFIGNAPZMKMQX-UHFFFAOYSA-N 431.495 3.651 0 40 IHAB Cc1cccc(-n2c(SCC(=O)N3CCOCC3)nnc2-c2c[nH]c3ccccc23)c1 3248911 IUFVZZLWIKCXEK-UHFFFAOYSA-N 433.537 3.675 0 40 IHAB O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccc(=O)n(Cc2ccccc2)n1 3459539 PSEJOUJHPZKGBZ-UHFFFAOYSA-N 440.507 3.529 0 40 IHAB CCCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(CC)CC3)cc2)cc1 4123072 IXKVFZHCHIMBIJ-UHFFFAOYSA-N 426.586 3.744 0 40 IHAB CCCCCCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)Nc3nnnn32)cc1OC 4424129 VLUBTUSTOSIHSP-FQEVSTJZSA-N 429.521 3.881 0 40 IHAB O=C(NC[C@@H]1CCCO1)c1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1 6093353 SWERMQFLSWCEQC-LBPRGKRZSA-N 435.354 3.765 0 40 IHAB CCOC(=O)c1ccc(OC(=O)c2ccccc2I)c(OC)c1 8452567 DNYWJSWVRDUXIX-UHFFFAOYSA-N 426.206 3.696 0 40 IHAB Cc1ccc(-n2c(S[C@@H](C)c3nc4ccccc4c(=O)[nH]3)nnc2N2CCOCC2)cc1 8728120 QDEGEBXITFUYMU-INIZCTEOSA-N 448.552 3.502 0 40 IHAB Cc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)c4ccccc4)N4N=Cc5ccccc5[C@H]4[C@@H]3C2=O)cc1 8742843 BNCRVEMSACYJEW-LWSSLDFYSA-N 435.483 3.757 0 40 IHAB COc1cccc([C@@H]2OCC(C)(C)n3c(-c4ccccc4)c4c(=O)n(C)c(=O)n(C)c4c32)c1 9253884 PSJDFTLNXCUPHY-QHCPKHFHSA-N 445.519 3.569 0 40 IHAB O=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1cc(Cl)ccc1N1CCOCC1 9284309 NWOBQYYYOTZWMZ-UHFFFAOYSA-N 436.339 3.979 0 40 IHAB O=C(NCc1ccccc1)c1ccccc1O[C@H](C(=O)N1CCOCC1)c1ccccc1 9389410 JCNZFWBSSJVHOU-DEOSSOPVSA-N 430.504 3.596 0 40 IHAB Cc1cc(NC(=O)COC(=O)/C=C/c2ccc(OC(F)F)cc2)n(-c2ccccc2)n1 9633127 KJWGNWJFCBKYJL-FMIVXFBMSA-N 427.407 3.977 0 40 IHAB CCS(=O)(=O)c1ccc(C(=O)N(CCN(C)C)c2nc3c(C)cccc3s2)cc1 9707951 LHDYOGPONUMYFQ-UHFFFAOYSA-N 431.583 3.607 0 40 IHAB CCOC(=O)c1cc(NC(=O)COc2cccc3ccccc23)ccc1N1CCOCC1 9907799 LCICSEUCXFAYAN-UHFFFAOYSA-N 434.492 3.871 0 40 IHAB O=C(CCC(=O)N1CCC(c2ccccc2)=N1)OCc1cc(=O)oc2cc3c(cc12)CCC3 10016064 FOESQLYQTOHWPM-UHFFFAOYSA-N 444.487 3.742 0 40 IHAB CCN(CC)[C@@H](CNC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1)c1ccccc1 10080515 MKFHCFHDOQGJPA-DEOSSOPVSA-N 440.563 3.943 0 40 IHAB COc1ccc(OC)c(NC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)c1 10327570 LMRVYWWWNKSVJK-UHFFFAOYSA-N 438.505 3.708 0 40 IHAB COc1ccc(N2C[C@H](c3nc4ccccc4n3CC(=O)N3CCCCC3)CC2=O)cc1 12062076 QBOVCIXOVCIOPW-GOSISDBHSA-N 432.524 3.578 0 40 IHAB C[C@@H](NC(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O)c1ccccc1 12401930 GFOXIDRKLBOEGJ-LJQANCHMSA-N 438.549 3.909 0 40 IHAB CCCc1cc(=O)[nH]c(S[C@@H]2CCCC[C@@H]2NS(=O)(=O)c2ccc(Cl)cc2)n1 12566765 HDWBVWSIUCNEEP-DLBZAZTESA-N 442.006 3.758 0 40 IHAB COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)Cc1coc2cc(C)c(C)cc12 12824435 SXOACQJGFNGBAH-UHFFFAOYSA-N 428.510 3.680 0 40 IHAB CN1CCN(C(=O)c2nn3c(c2Cl)N[C@@H](c2cccs2)C[C@H]3C(F)(F)F)CC1 12849795 XEFMATUEOYHSME-PWSUYJOCSA-N 433.887 3.646 0 40 IHAB Cc1c(NC(=O)[C@H](C)OC(=O)c2ccc(C(C)(C)C)cc2)c(=O)n(-c2ccccc2)n1C 13149429 WXNSUZBDGGRERA-KRWDZBQOSA-N 435.524 3.966 0 40 IHAB CCOc1ccc(Br)cc1S(=O)(=O)NC(=S)Nc1ccc(OC)cc1 13150242 ZDPZDDRFAYATMK-UHFFFAOYSA-N 445.360 3.532 0 40 IHAB COc1ccc(OC)c([C@@H]2CC(=O)Nc3nc(SCc4ccccc4F)[nH]c(=O)c32)c1 13567403 YMEJGAHBMDMIIO-HNNXBMFYSA-N 441.484 3.693 0 40 IHAB COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H](C(C)C)N[C@]12C(=O)Nc1ccc(F)cc12 13593178 GARRLVSUCDKZGX-JLDZCNIISA-N 431.895 3.908 0 40 IHAB CCOc1ccccc1CCCNC(=O)[C@H](C)N1c2cccc3cccc(c23)S1(=O)=O 13632210 ZWXPKVMBFDCCTA-KRWDZBQOSA-N 438.549 3.885 0 40 IHAB COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)N[C@H](C)c1cccs1 14602973 XQDAAQLQZKNEPQ-OAHLLOKOSA-N 442.562 3.999 0 40 IHAB CN1CCN(c2ccccc2NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)CC1 14852756 TVQAAJRATVJPKW-UHFFFAOYSA-N 433.531 3.894 0 40 IHAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(C2SCCS2)cc1 15718753 UARILHNIGMMFOF-UHFFFAOYSA-N 434.608 3.618 0 40 IHAB COC(=O)c1ccc(NC(=O)Cc2csc(NC(=O)Nc3ccccc3OC)n2)cc1 16047527 PWEOATYQDMZDEJ-UHFFFAOYSA-N 440.481 3.764 0 40 IHAB Cc1nc(NC(=S)NC(=O)c2cccc(Cl)c2)ccc1I 17097699 HMEQBZCKYHIIES-UHFFFAOYSA-N 431.686 3.775 0 40 IHAB COc1ccccc1CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)c1cc(N(C)C)nc(C)n1 19240874 BUORAJIVIFOJGU-QFIPXVFZSA-N 443.551 3.984 0 40 IHAB O=C(CC1CCCC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(Cc1ccccc1F)C2 19349412 VVNZOKBFULSFLM-QFIPXVFZSA-N 438.547 3.711 0 40 IHAB CC(C)NC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)c2ccc(N)nc2)C1 19449382 WKWADVBYVVKUTI-MHZLTWQESA-N 442.563 3.930 0 40 IHAB Cc1c(C(=O)N2CCC([C@@]3(C)CCCCN(CCc4ccccc4)C3=O)CC2)cnn1C 19744120 UTIRLCTYPRHACF-AREMUKBSSA-N 436.600 3.842 0 40 IHAB COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2C)cc1C 20008648 BUKGLLUFQPIHNA-QFIPXVFZSA-N 438.549 3.840 0 40 IHAB O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl)Nc1cc(F)ccc1F 20022899 PBGYIMSZNGAAET-UHFFFAOYSA-N 444.887 3.810 0 40 IHAB COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2C)cc1OC 20061744 VLLZVGUMLXYGQE-UHFFFAOYSA-N 432.542 3.685 0 40 IHAB COc1cc([C@H]2C3=C(COC3=O)Nc3c2c(C)nn3-c2ccccc2)cc(OC)c1OC 20086311 CJKTYALAAYPEMR-HXUWFJFHSA-N 433.464 3.575 0 40 IHAB C[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1)c1ccc(F)cc1 20104971 UVTHYKICQSJOHZ-HNNXBMFYSA-N 438.952 3.898 0 40 IHAB O=C(NCCCc1ccccc1Cl)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 20458707 JQWAXEOYYHNMRD-UHFFFAOYSA-N 434.989 3.631 0 40 IHAB O=C(OCC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2)c1cccc(O)c1 20821761 FHDWWZPBINQOKK-UHFFFAOYSA-N 425.462 3.615 0 40 IHAB Cc1ccc([C@@H](C)NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc1C 22331754 ZTGODBRCCPXUSW-OAHLLOKOSA-N 439.375 3.709 0 40 IHAB CC[C@H](NC(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O)c1ccc(C)c(C)c1 22336126 FGEYTSSEKGADOQ-SFHVURJKSA-N 438.977 3.999 0 40 IHAB Cc1ccc(OC[C@H](C)NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 22341911 HEKQLVPIYRMGHJ-AWEZNQCLSA-N 445.368 3.652 0 40 IHAB Cn1ccnc1[C@@H](NC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1 24538307 ZOHJVYSTQXWYRC-AEFFLSMTSA-N 432.952 3.926 0 40 IHAB CC[C@@H](C)[C@@H](CO)NC(=O)CCc1c(C)c2c(OC)cc3c(c2oc1=O)CCC(C)(C)O3 25077145 POLIAQSFAVJGDE-RDTXWAMCSA-N 445.556 3.669 0 40 IHAB biogenic COc1cccc2cc(/C=C/C(=O)NC3CCN(CC(=O)Nc4ccccc4)CC3)oc12 25523449 ADRFCOLVPQOBDU-ZHACJKMWSA-N 433.508 3.674 0 40 IHAB COc1ccc([C@H]2CCCN2C(=O)C[C@H](NC(N)=O)c2ccc(Cl)cc2)cc1OC 25613020 MOBHPEFRXINQAI-ZWKOTPCHSA-N 431.920 3.820 0 40 IHAB COC(=O)c1ccc(NS(=O)(=O)c2ccc(SC)c(C(=O)N3CCCCC3)c2)cc1 26115855 YZCWFUTYHNXAGJ-UHFFFAOYSA-N 448.566 3.622 0 40 IHAB O=C(NCCc1ccccc1)c1c(NC(=O)[C@H]2COc3ccccc3O2)sc2c1CCC2 27663645 APPPDMUJRQHKQK-HXUWFJFHSA-N 448.544 3.988 0 40 IHAB COc1ccc(CCNC(=O)N[C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)cc1OC 29321147 MWJUJPNETSZFPI-HNNXBMFYSA-N 426.492 3.940 0 40 IHAB Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N(Cc3nc4ccccc4c(=O)[nH]3)C(C)C)C2)cc1 32824620 KNVGKLHWFSTEAE-HXUWFJFHSA-N 446.551 3.521 0 40 IHAB CN(C)c1cc(C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)ccn1 32913638 FHBCDGOYZQHIAC-UHFFFAOYSA-N 436.506 3.973 0 40 IHAB COc1ccc(OC)c(CNC(=O)c2nnn(-c3ccccc3Cl)c2-c2cccnc2)c1 38487690 OLOMZLOZWALKGR-UHFFFAOYSA-N 449.898 3.930 0 40 IHAB O=C(Cc1csc(NC(=O)c2ccco2)n1)Nc1cccc(OC[C@@H]2CCCO2)c1 40062803 XHMHJDAEEBHESF-KRWDZBQOSA-N 427.482 3.727 0 40 IHAB COc1ccc(OC)c(NC(=O)[C@H]2C[C@@H]3CCCN3[C@]23C(=O)Nc2c(Cl)cccc23)c1 57122060 FDSIIYLSNZHBJC-LZDDTZTRSA-N 441.915 3.628 0 40 IHAB Cc1cccc(NC(=O)Cn2c(=O)n(CCc3cccs3)c(=O)c3ccccc32)c1C 57473318 YNPYJEZDXACUTG-UHFFFAOYSA-N 433.533 3.723 0 40 IHAB CCOC(=O)Nc1ccc(NC(=O)NC[C@H](O)COc2cccc(C(F)(F)F)c2)cc1 58294846 RUKPEOWCHAKMFY-INIZCTEOSA-N 441.406 3.835 0 40 IHAB CCOC(=O)c1c(NC(=O)c2cc(-c3ccccc3C)on2)sc2c1CC[C@@H](N)C2 61997332 CNFQVLBNHXHNFM-CYBMUJFWSA-N 425.510 3.957 0 40 IHAB O=C(Cn1ccc2ccn(Cc3ccccc3F)c2c1=O)NCc1ccc(F)cc1F 62007382 ZJZUOWKCRJEHDR-UHFFFAOYSA-N 425.410 3.585 0 40 IHAB CC(=O)Nc1c(C)cccc1-c1nnc(SCC(=O)Nc2ccc(F)cc2C)nc1O 64774858 FUFDTSLHEACFSE-UHFFFAOYSA-N 441.488 3.689 0 40 IHAB CC(C)(C)C(=O)N1CCC(c2nnc([C@@H]3CCCCN3C(=O)c3ccccn3)o2)CC1 72344865 CXZHKKBUSVHQPZ-SFHVURJKSA-N 425.533 3.584 0 40 IHAB Cc1ccc(C2=NN(C(=O)CN[C@H](C[S@](C)=O)c3ccccc3)[C@@H](c3ccco3)C2)cc1 95462650 SSAMRVVGGPHPRE-ULIDOWHDSA-N 449.576 3.975 0 40 IHAB COc1ccc(OC)c(CNC(=O)[C@H]2C[C@H]3CC[C@@]2(C)C[C@]32NC(=O)c3ccccc3N2)c1 100117333 UDKKICFLKGKQIQ-STVBAEQRSA-N 449.551 3.698 0 40 IHAB COc1ccc(CCn2c(=O)[nH]c3ccccc3/c2=N\C(=O)Nc2ccc(F)cc2)cc1 101114083 UQRVQDMDOHYMCR-XAYXJRQQSA-N 432.455 3.853 0 40 IHAB C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1)[C@H]1C[C@H]2CC[C@H]1C2 102364309 IMQYQOPEHMAFJJ-FYNLTWRRSA-N 438.593 3.988 0 40 IHAB COc1ccc(NC(=O)c2ccccc2N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]54)[C@H]3C2=O)c(OC)c1 102693511 DBNVSRVFBCRPDT-HILQKUEISA-N 444.487 3.514 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)c2ccccc2)cc1OC 113935821 MSYDBEQGLIIXJH-UHFFFAOYSA-N 426.494 3.538 0 40 IHAB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)OC)c3)o2)C1=O 205685446 UEUIMSNSKFLLKT-CXUHLZMHSA-N 449.868 3.986 0 40 IHAB CCS(=O)(=O)N1C[C@H](C(=O)N[C@@H](CC(C)C)c2ccc(OC)cc2)Oc2ccccc21 216332472 HJWZZTIDQIAEJF-SIKLNZKXSA-N 446.569 3.516 0 40 IHAB CCOC(=O)c1cc(NC(=O)[C@H](CC)N(c2ccccc2)S(C)(=O)=O)ccc1Cl 216337463 XIZLVNSXRVBOKG-SFHVURJKSA-N 438.933 3.700 0 40 IHAB CCOC(=O)c1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)c1C 219703771 WJELHLFCUYYDSR-UHFFFAOYSA-N 440.521 3.584 0 40 IHAB C[C@@H](C(=O)NCCCc1ccc(F)cc1)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 220200613 RRITXUNXQKDBOF-AWEZNQCLSA-N 446.466 3.748 0 40 IHAB COc1ccc(CCNC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(F)cc3)c2)cc1 224168932 WTWLFOAQMZUNPH-UHFFFAOYSA-N 442.512 3.632 0 40 IHAB CCCC[C@@H](CC)CNC(=O)CCCN(c1ccc(OC)c(OC)c1)S(C)(=O)=O 224731076 PVJWTBAQJOBQCU-QGZVFWFLSA-N 428.595 3.583 0 40 IHAB COc1ccc(NC(=O)[C@@]2(C)CCN(c3ccc(Cl)cc3)S2(=O)=O)cc1Cl 225946675 HGQAUIHUDJKMBJ-GOSISDBHSA-N 429.325 3.939 0 40 IHAB C[C@H](OC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)C(=O)N[C@H]1CCCC[C@H]1C 245237698 RVEDZZUDBQELOL-VKJFTORMSA-N 441.494 3.943 0 40 IHAB Cc1cc(Nc2cccc(F)c2)cc([C@H]2CCCN(S(=O)(=O)c3cnn(C)c3C)C2)n1 257208433 BMDTVFVJJOQKCB-KRWDZBQOSA-N 443.548 3.883 0 40 IHAB O=C(c1cccc(Cn2ccnc2)c1)N1CCOC[C@@H](Cc2cccc3cccnc23)C1 257227497 FPONNAVUBJQKQF-NRFANRHFSA-N 426.520 3.811 0 40 IHAB CC(=O)NCCCCCC(=O)N1CC[C@@H]2O[C@@H]3c4cccc(O)c4OC(C)(C)[C@H]3C[C@@H]2C1 257267515 MHPWHUSFHDZDMV-QXPQREGVSA-N 444.572 3.554 0 40 IHAB CC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N(C)C(=O)Cc2ccc3c(c2)CCC3)CC1 257300932 RWHHGUXIFPXRGS-STROYTFGSA-N 448.607 3.554 0 40 IHAB COc1ccc(CCNC(=O)c2cc3c(N4CCCC4)nc(SC)nc3s2)cc1 408636494 RDKQKKOININHNH-UHFFFAOYSA-N 428.583 3.995 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(CC)cc2)cc1 408667367 QMBSAFNABDCMFM-UHFFFAOYSA-N 440.496 3.716 0 40 IHAB CS(=O)(=O)N(CCCC(=O)N1CCC(Cc2ccccc2)CC1)c1ccc(F)cc1 408705720 LZJAHFHUJRSKJS-UHFFFAOYSA-N 432.561 3.853 0 40 IHAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(-c3cccc(F)c3)o2)C1=O 409238141 VXJKPMLCQHPZDE-LDADJPATSA-N 435.411 3.626 0 40 IHAB CC(C)S(=O)(=O)c1ccc(CC(=O)N[C@]2(Cc3ccc(Cl)cc3)CCOC2)cc1 500338248 TYQRVRGFQLWSMW-QFIPXVFZSA-N 435.973 3.583 0 40 IHAB CCOc1ccc(CN(CCCn2ccnc2)C(=O)c2ccc3c(c2)CCC(=O)N3C)cc1 536123113 BGFASUZONQSFKY-UHFFFAOYSA-N 446.551 3.924 0 40 IHAB COc1ccc([C@@H]2CCCN2C(=O)NCc2cccc(CN3CCOCC3)c2)c(OC)c1 616122279 ASKSPZUZUAJJTD-QHCPKHFHSA-N 439.556 3.583 0 40 IHAB Oc1ccc2c(c1)CCN(c1ncc(Cl)c(N3CCc4ccc(O)cc4CC3)n1)CC2 682459931 IKWKIHSMHJEXDS-UHFFFAOYSA-N 436.943 3.752 0 40 IHAB COc1ccc(CCNC(=O)N2CCCC3=C[C@@H]4C[C@H](CN5CCCC[C@@H]45)[C@H]32)cc1OC 1083103370 JXOSLFKXMPFGSP-APDHKMKFSA-N 439.600 3.851 0 40 IHAB COC(=O)c1cn(-c2ccc(Cl)cc2)c(=O)c2cnc3nc(-c4cccs4)nn3c12 1548338259 VAQLWOQBRBCGMB-UHFFFAOYSA-N 437.868 3.597 0 40 IHAB CCOc1ccc(N(CC(=O)Nc2ccccc2OC)S(=O)(=O)c2ccccc2)cc1 835630 JEOZUGALQXPVFS-UHFFFAOYSA-N 440.521 3.928 0 40 IHAB O=C(N1CCCC1)N1CCN(c2ncnc3c(-c4ccc(Cl)cc4)nsc23)CC1 1370857 XCMGVBQMYKSDJL-UHFFFAOYSA-N 428.949 3.745 0 40 IHAB Cc1c(CC(=O)N2CCC(C(=O)O)CC2)c(=O)oc2c(C)c3oc4c(c3cc12)CCCC4 2152335 DETDCEPNJOGBLC-UHFFFAOYSA-N 437.492 3.901 0 40 IHAB biogenic CSc1nc(N(CCO)CCO)c2sc3nc(-c4ccco4)c4c(c3c2n1)CCC4 2454209 FFTCERLLXSWOKT-UHFFFAOYSA-N 442.566 3.501 0 40 IHAB aggregator CCOC(=O)COc1cccc2c(=O)n(CC(=O)Nc3ccc(C(F)(F)F)cc3)ccc12 2712239 ULWDPBDHZPATNJ-UHFFFAOYSA-N 448.397 3.601 0 40 IHAB O=C(COc1cccc2c1CCN(Cc1ccc(F)cc1)C2=O)Nc1ccc2c(c1)OCO2 2716391 DJNIIWLOKANCCG-UHFFFAOYSA-N 448.450 3.770 0 40 IHAB O=C(CSc1nnc(CN2CCCCC2)n1-c1ccccc1)c1ccc2c(c1)OCO2 3402998 QVTUOEOMPXNJIW-UHFFFAOYSA-N 436.537 3.957 0 40 IHAB COc1ccc2cc([C@]3(C)NC(=O)N(CC(=O)Nc4cccc(Cl)c4)C3=O)ccc2c1 3451328 HOEOKAGETCJSPH-QHCPKHFHSA-N 437.883 3.908 0 40 IHAB COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)Nc1cccc(F)c1 3608133 MGZOSVAJKJAYTD-UHFFFAOYSA-N 426.469 3.838 0 40 IHAB O=C(CN1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1)N1CCc2ccccc21 6552125 MEDUPVJOGBBPRC-UHFFFAOYSA-N 429.446 3.676 0 40 IHAB CC[C@H](C)c1ccc(OCC(=O)Nc2cc(C(=O)OC)ccc2N2CCOCC2)cc1 7389795 DEDSZPBJMDKGHV-KRWDZBQOSA-N 426.513 3.841 0 40 IHAB O=c1c2c(ncn2C2CCCC2)n(Cc2ccccc2)c(=O)n1CCOc1ccccc1 8685913 PRSANPJXSGLKHH-UHFFFAOYSA-N 430.508 3.602 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)COc1ncnc2ccc(Br)cc12 8825249 NZASWQOBUBYSDD-UHFFFAOYSA-N 430.258 3.587 0 40 IHAB Cc1noc(C)c1S(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(Cl)cc1 8828135 UMELROWOHBTGJL-LJQANCHMSA-N 445.928 3.699 0 40 IHAB C[C@@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)c2cccc3ccccc23)C1=O 8879644 VXHNOFOSXMEKNT-VWLOTQADSA-N 430.460 3.651 0 40 IHAB Cc1sc2nc(S[C@H](C)C(=O)NC[C@@H]3CCCO3)n(C3CCCC3)c(=O)c2c1C 9119615 DOAKAYHUKYMERC-ZBFHGGJFSA-N 435.615 3.966 0 40 IHAB COc1ccc([C@@H]2CC(c3ccc(NS(C)(=O)=O)cc3)=NN2C(=O)C(C)(C)C)cc1 9126932 MXCRFIYMBWPSOK-FQEVSTJZSA-N 429.542 3.791 0 40 IHAB CC(=O)c1ccc(N2CCN(C(=O)[C@H](CC(C)C)NC(=O)c3ccccc3C)CC2)cc1 9154519 NNNVQUUIIIOAAY-DEOSSOPVSA-N 435.568 3.691 0 40 IHAB O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1Cl)NC1CCCC1 9194530 YJHALEZUCINZMI-UHFFFAOYSA-N 448.972 3.525 0 40 IHAB COc1cccc2cc(-c3nnc(SCC(=O)Nc4ccc5c(c4)OCO5)n3C)oc12 9263514 RVLJKPUHIZBKNC-UHFFFAOYSA-N 438.465 3.696 0 40 IHAB COc1ccccc1Oc1c(C)oc2cc(OCC(=O)NCc3cccnc3)ccc2c1=O 9422148 LMMMKPACPVIMMC-UHFFFAOYSA-N 446.459 3.993 0 40 IHAB COc1cccc(C(=O)Nc2nnc(SCC(=O)Nc3ccc(C(C)=O)cc3)s2)c1 9600047 CZONNEJUGRAGLA-UHFFFAOYSA-N 442.522 3.732 0 40 IHAB Cc1ccc(C)c(N(CC(=O)Nc2cccc(Cl)c2Cl)S(=O)(=O)N(C)C)c1 9694868 FAEKHRPIMHWQQF-UHFFFAOYSA-N 430.357 3.862 0 40 IHAB C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 9699602 VKQCVMGISGTFFX-SNVBAGLBSA-N 431.297 3.515 0 40 IHAB Cc1ccccc1-n1c(SCc2nc(-c3ccsc3)no2)nnc1N1CCOCC1 9782520 QBWLEMJPMJGZQM-UHFFFAOYSA-N 440.554 3.816 0 40 IHAB COc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCN(C)C)cc1OC 10233110 RDSHIZOGBXRTCI-JOCHJYFZSA-N 436.508 3.534 0 40 IHAB COc1cc(/C=C/c2ccncc2)ccc1OC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 11858595 YJIGLRBIACZSBU-SNAWJCMRSA-N 438.505 3.730 0 40 IHAB COCCCn1c(SCC(=O)N[C@@H]2CCCC[C@H]2C)nc2sc3c(c2c1=O)CCC3 12498504 KGGGEIASOYSFQO-GDBMZVCRSA-N 449.642 3.770 0 40 IHAB C[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)N1CC(=O)Nc2ccccc21 12601010 GQPRVEZNWDVPBY-ZDUSSCGKSA-N 439.566 3.731 0 40 IHAB CCc1ccc([C@@H](C(=O)NC(C)(C)C)N(Cc2ccco2)C(=O)c2csnn2)cc1 12638503 LAGNEPUYCNRTKY-IBGZPJMESA-N 426.542 3.992 0 40 IHAB COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccc2nc(N3CCCC3)sc2c1 12652166 UKQVMJKOSXUJJE-UHFFFAOYSA-N 446.554 3.664 0 40 IHAB O=C(NC[C@H](c1ccccc1)N1CCCC1)c1nn(-c2ccccc2)c(=O)c2ccccc12 12786464 VWAAUBLWJBMPOR-XMMPIXPASA-N 438.531 3.953 0 40 IHAB C[C@@H]1Cc2cc(C3=NN=C(Nc4ccccc4Cl)SC3)ccc2N1S(C)(=O)=O 12919039 UXJMRWLUNATFLU-GFCCVEGCSA-N 434.974 3.970 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3cc4ccc(F)cc4s3)CC2)c1 12919743 YNEVKLSIZFMSNG-UHFFFAOYSA-N 432.542 3.804 0 40 IHAB CC(C)C[C@@]1(c2ccccc2)NC(=O)N(CN2CCN(c3cccc(Cl)c3)CC2)C1=O 13098133 HEEBMMUBMLILHH-DEOSSOPVSA-N 440.975 3.913 0 40 IHAB C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)COc2ccccc2-c2ccccc2)C1=O 13118110 ZDXOZZKFJRJQCB-AREMUKBSSA-N 443.503 3.707 0 40 IHAB COc1cc(/C=C/C(=O)OCC(=O)N[C@@H](C)c2ccc(Cl)cc2)cc(OC)c1OC 13121466 GFTYFAWNLPODFR-SEIPJRMCSA-N 433.888 3.800 0 40 IHAB CN(Cc1cnn(Cc2ccccc2)c1)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O 14184727 ZFYRBDJHZZBMBL-UHFFFAOYSA-N 437.588 3.848 0 40 IHAB CNC(=O)[C@H]1CN(C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)c2ccccc2O1 14196720 YPZFIZJKBFGVMN-HXUWFJFHSA-N 444.516 3.755 0 40 IHAB COc1ccc(S(=O)(=O)N(C)CC(=O)c2cc(C)n(CCc3cccs3)c2C)cc1 14313255 QFMHSNRJUGGDOM-UHFFFAOYSA-N 446.594 3.921 0 40 IHAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 14398699 KAECBCCEZABERB-NRFANRHFSA-N 432.542 3.666 0 40 IHAB CN(CC(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Cc1ccccc1 16333993 ROBOWCPRCXTXJM-UHFFFAOYSA-N 427.854 3.888 0 40 IHAB CCOC(=O)[C@@H]1CCCN([C@@H](c2cccc(F)c2)c2sc3nc(CC)nn3c2O)C1 16690070 LBZWKNDPUBTGPH-PBHICJAKSA-N 432.521 3.562 0 40 IHAB O=C(Nc1ccc2c(c1)OCO2)c1ccccc1NS(=O)(=O)c1ccc(Cl)nc1 16699461 NVCIJFJSQIQODI-UHFFFAOYSA-N 431.857 3.517 0 40 IHAB Cc1cccc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CN(C(=O)C2CCCC2)CC3)c1 19234420 WBAIFWFHJNJXTC-JOCHJYFZSA-N 448.567 3.521 0 40 IHAB COc1ccc(CN2CCC[C@@H](c3nc(C)c4c(n3)N(C)C(=O)CC4)C2)cc1OC(C)C 19741498 PZNILUZYCLXTJR-LJQANCHMSA-N 438.572 3.869 0 40 IHAB CC(=O)Nc1ccc(C(=O)N2CCCC[C@H]2c2ncc(C(=O)N3CCCCC3)c(C)n2)cc1 19765640 YWABKVRWGYIYJQ-QFIPXVFZSA-N 449.555 3.737 0 40 IHAB CCOC(=O)[C@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@H]1c1sccc1C 19818566 CYCFMHGXUBTEHK-QZTJIDSGSA-N 427.526 3.558 0 40 IHAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1C 20016387 XTEJQVLLLSMMTK-GFCCVEGCSA-N 448.438 3.857 0 40 IHAB CC(C)OCCCNC(=O)c1ccc2c(c1)C(=O)N(CCc1c[nH]c3ccccc13)C2=O 20717877 FVIFJAPSADPPDV-UHFFFAOYSA-N 433.508 3.552 0 40 IHAB COc1ccccc1[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 22459831 IZJDGCYRAWCPLA-JKSUJKDBSA-N 436.961 3.627 0 40 IHAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)COc2cccc3ccc(C)nc23)c1 22551406 OBDMLVFHCOOGKX-UHFFFAOYSA-N 427.526 3.591 0 40 IHAB COc1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CCN(C3CCCCC3)CC2)cc1 22929140 BBWRCOBWMOERQI-VWLOTQADSA-N 446.599 3.770 0 40 IHAB CCCCn1c(N)c(N(C(=O)c2cc(CCC)c(C)s2)C2CCCC2)c(=O)[nH]c1=O 23731083 GMXFKVHEGCWBRV-UHFFFAOYSA-N 432.590 3.831 0 40 IHAB C[C@H](C(=O)Nc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1)n1cncn1 24576353 RJECYQNQOZKLPK-LLVKDONJSA-N 440.312 3.585 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(C)c(NCc2cc(=O)oc3cc(OC)ccc23)c1 24992425 OVGJUCMLZOPDCX-UHFFFAOYSA-N 430.526 3.753 0 40 IHAB CCn1c(=O)c2ccccc2n2c(CSc3nnc(C4CC4)n3-c3ccccc3)nnc12 29356089 LTAAEXAUDFAWNG-UHFFFAOYSA-N 443.536 3.815 0 40 IHAB O=C(COc1ccc2ccccc2c1Br)NCc1cccnc1-n1ccnc1 29908156 FUBPLOFPYWTYNK-UHFFFAOYSA-N 437.297 3.878 0 40 IHAB O=C(CSC(c1ccccc1)c1ccccc1)N1CCC(C(=O)N2CCOCC2)CC1 31279645 PSQYUKYWVLDHHK-UHFFFAOYSA-N 438.593 3.607 0 40 IHAB COc1cc2c(cc1OC)C(=O)[C@H](Sc1nc3sc4c(c3c(=O)[nH]1)CCCC4)C2 31814412 TWDZNXLQYQHOPW-MRXNPFEDSA-N 428.535 3.780 0 40 IHAB O=C(Nc1ccccc1)N1CCC[C@H](C(=O)N2CCN(C/C=C/c3ccccc3)CC2)C1 32768143 MAENPSQWOYAYBV-BVRWQAIYSA-N 432.568 3.788 0 40 IHAB COc1ccc(OC)c(CN2CCN(C(=O)NCc3cccc(C(F)(F)F)c3)CC2)c1 32843754 ZVQQBAIZAOSJBD-UHFFFAOYSA-N 437.462 3.750 0 40 IHAB CSc1ccc(N2C[C@H](C(=O)N3CCN(c4ccccc4Cl)CC3)CC2=O)cc1 32909181 VXHYBVGRYIQTAO-MRXNPFEDSA-N 429.973 3.764 0 40 IHAB Cc1ccc2c(c1)cc(S(=O)(=O)c1ccccc1)c(=O)n2CC(=O)NC1CCCCC1 33170728 GUGIWRAZHYFAML-UHFFFAOYSA-N 438.549 3.592 0 40 IHAB Cc1cccc(N(C(=O)c2csnn2)[C@H](C(=O)NCc2ccccc2)c2ccccn2)c1 35312132 RBGOZQMNZPDPRB-QFIPXVFZSA-N 443.532 3.946 0 40 IHAB COC(=O)c1ccc(CSc2nnc(NC(=O)NCCc3ccc(OC)cc3)s2)o1 35590201 BUUUTGXRDDKJMI-UHFFFAOYSA-N 448.526 3.583 0 40 IHAB Cc1cccc(NC(=O)Cn2nc3c4cc(-c5ccc(Cl)cc5)nn4ccn3c2=O)c1C 38487393 ZSBCIJNNQVFIAM-UHFFFAOYSA-N 446.898 3.720 0 40 IHAB Cc1ccc(-n2ncc3c(C(C)C)nnc(SCC(=O)NC[C@@H]4CCCO4)c32)cc1 38488222 MAZGHBHMJDJPRP-KRWDZBQOSA-N 425.558 3.635 0 40 IHAB O=C([C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCC(c2nnc(-c3ccco3)o2)CC1 38518428 LZKZYUZKAJLNLA-HNNXBMFYSA-N 440.887 3.742 0 40 IHAB Cc1cc(C(=O)Nc2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)s2)c(C)o1 42379217 ZOBLZZPAQNAEQZ-UHFFFAOYSA-N 446.510 3.502 0 40 IHAB O=C(CC(c1ccccc1)c1ccccc1)NCC1CCN(S(=O)(=O)C2CC2)CC1 44003852 YLFCFIDUVSALOR-UHFFFAOYSA-N 426.582 3.529 0 40 IHAB Cc1cccc(N(C)C(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)c1C 48300485 MZLBYHHPAYUTGF-UHFFFAOYSA-N 432.450 3.639 0 40 IHAB O=C(Nc1ccccc1)C1CCN(C(=O)CSc2nc(-c3cccs3)n[nH]2)CC1 48368885 XIHUAXIBNDDGOM-UHFFFAOYSA-N 427.555 3.503 0 40 IHAB CCOC(=O)[C@H]1CCc2sc(NC(=O)CCc3csc4nc(C5CC5)cn34)nc21 56903755 MSFSLEGSOQRQPA-ZDUSSCGKSA-N 430.555 3.894 0 40 IHAB O=C(Cn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2sccc21)Nc1ccc(F)cc1 57491815 LSVDJRUJNKXWSP-UHFFFAOYSA-N 429.860 3.645 0 40 IHAB COC(=O)C1(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CCCC1 58005131 CBQHOOFXHNFAFH-UHFFFAOYSA-N 433.858 3.572 0 40 IHAB CN(C)CCN(Cc1ccccc1F)C(=O)NCCc1ccc(Br)s1 58166500 RRDYZGPMCVOLJM-UHFFFAOYSA-N 428.371 3.966 0 40 IHAB CCOc1ccc(C(=O)N2CCCN(c3cc(-c4ccc5c(c4)OCO5)n[nH]3)CC2)cc1 62007399 OSIKSFHGKGQMJC-UHFFFAOYSA-N 434.496 3.557 0 40 IHAB Cc1cc2nn(CC(=O)N(C)c3ccccc3)c(=O)n2c(-c2ccc(C(F)(F)F)cc2)n1 67226450 PKSMNKQPIPPQTK-UHFFFAOYSA-N 441.413 3.548 0 40 IHAB CC[C@@H](C)n1c(SCC(=O)Nc2ccc(C(=O)OC)cc2)nc2cc(C)[nH]c2c1=O 67239091 MAPTXHYAGFSMGB-CYBMUJFWSA-N 428.514 3.521 0 40 IHAB COC(=O)c1ccccc1NC(=O)Cn1c(=O)cc(-c2nc(C(C)C)no2)c2ccccc21 67317741 MXXLDFOCCWJEOH-UHFFFAOYSA-N 446.463 3.600 0 40 IHAB O=C(Cn1c(=O)cc(-c2nc(-c3ccncc3)no2)c2ccccc21)N1CCc2ccccc21 67318107 VSWYEMUIYYTPMQ-UHFFFAOYSA-N 449.470 3.703 0 40 IHAB COc1ccc(-c2nn3c(nc2=O)-c2ccc(F)cc2N2C(=O)c4ccccc4[C@H]23)cc1 71922028 HQMZZAXJTDHRIQ-HSZRJFAPSA-N 426.407 3.641 0 40 IHAB Cn1nc(C(F)(F)F)cc1C(=O)NCc1cccc(-c2n[nH]cc2-c2ccncc2)c1 72345002 XMXOPOJLPXYQBI-UHFFFAOYSA-N 426.402 3.821 0 40 IHAB CN1CCN(C(=O)c2ccc3c(c2)ncn3C)[C@@H](Cc2cccc(-c3cccs3)c2)C1=O 72351769 JXENBZSAGVYDMB-QFIPXVFZSA-N 444.560 3.827 0 40 IHAB COc1ccccc1CN1CCCc2c(C)nc([C@@H]3CCCN3C(=O)c3cnccn3)nc21 72373772 AYGRVBGOQSSATB-NRFANRHFSA-N 444.539 3.514 0 40 IHAB CCOC(=O)N1CCC[C@@H](C(=O)Nc2cc(-c3ccc(Br)cc3)ncn2)C1 79055815 ZGHKITDIFVGDOQ-CQSZACIVSA-N 433.306 3.713 0 40 IHAB COc1cccc(/C=N/Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])c1 89467203 WIHQSDUODORRBX-KGENOOAVSA-N 426.454 3.850 0 40 IHAB CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)c2cccc(Cl)c2)cc1F 89960392 JBXBUCDLDCFIQA-LBPRGKRZSA-N 434.942 3.670 0 40 IHAB COc1ccc([C@H](NC(=O)CN[C@H](c2nc(-c3ccncc3)no2)C(C)C)C(C)C)cc1 95466606 ULWVTNJUGLLVNK-YADHBBJMSA-N 437.544 3.940 0 40 IHAB Cc1ncc(CN2CCOCC2)c2cc(C(=O)c3cccc(NC(=O)C4CCC4)c3)oc12 96224099 QDKKTTHBHRNVQP-UHFFFAOYSA-N 433.508 3.938 0 40 IHAB COc1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)C(C(=O)c1ccccc1)=NN2c1ccc(C)cc1 100487416 GMEACKGFWFQHFV-GMAHTHKFSA-N 439.471 3.621 0 40 IHAB CNc1nc(C)c(C(=O)NC[C@H]2CC[C@H](c3c(C(N)=O)sc4ncccc43)CC2)s1 100688438 IGQJNJORGDUIPH-BETUJISGSA-N 443.598 3.906 0 40 IHAB O=C1[C@@H]2[C@@H](c3ccc(Cl)cc3)N3CCCN3[C@H]2C(=O)N1c1ccc(Br)cc1 102684723 ZTLSBLCLYFIIBS-KZNAEPCWSA-N 446.732 3.638 0 40 IHAB COc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)[C@H]1c3ccccc3C=CN1[C@@H]2C(=O)C(C)(C)C 104188759 TVGKUGGUPLPVIQ-KJJMTIBFSA-N 430.504 3.826 0 40 IHAB COC(=O)c1cccc(NC(=O)[C@H](C)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)c1C 220363347 VJRSMQMXTNTYJI-AWEZNQCLSA-N 438.933 3.537 0 40 IHAB CCCOc1ccccc1CCCNC(=O)[C@@H](C)N(c1cccc(F)c1)S(C)(=O)=O 220487797 VCSOPILJXMZGSN-QGZVFWFLSA-N 436.549 3.518 0 40 IHAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCCc1ccc(Cl)cc1 223615709 HBOYQUFBJXNKBB-HXUWFJFHSA-N 438.977 3.642 0 40 IHAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(F)cc1 223672106 OICIPFAMTQBIEF-OAQYLSRUSA-N 430.520 3.935 0 40 IHAB CC(C)(C)c1ccccc1OCCNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 223721605 OUJNOFUXIQTOQS-UHFFFAOYSA-N 444.597 3.968 0 40 IHAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1 223731253 WMSPOQJCSXDLMJ-VWLOTQADSA-N 446.547 3.850 0 40 IHAB COc1ccc(CNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3C)c2)c(OC)c1 224075896 BOVYZUMGTYZEAN-UHFFFAOYSA-N 440.521 3.743 0 40 IHAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-n3cnnc3)c2C)c1 224228071 GHDDGPYJRLYATD-YADHBBJMSA-N 429.553 3.888 0 40 IHAB COc1ccc(C(=O)NCCC(C)C)cc1CN(C)S(=O)(=O)c1ccc(Cl)cc1 224795532 CDUROOGCYPVVSW-UHFFFAOYSA-N 438.977 3.945 0 40 IHAB CC[C@@H](NS(=O)(=O)c1ccc(OC)c(C(=O)NC(C)C)c1)c1ccc(OC)c(C)c1 225101995 OXGCCQCOMPCDTK-LJQANCHMSA-N 434.558 3.580 0 40 IHAB CC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccc(OC)c(C)c1 225494130 CGXNSKHMAZDRCE-OAQYLSRUSA-N 448.560 3.811 0 40 IHAB O=C(N[C@H]1C[C@H]2CC[C@H]1C2)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 247753112 VPYNFECTYSFPSG-RFUYNDQBSA-N 445.412 3.840 0 40 IHAB O=C1CCCN1CCOc1cccc(C(=O)N2CC[C@H](Cc3cccc4ncccc34)C2)c1 257225981 FIRDKRGLFXSNPF-HXUWFJFHSA-N 443.547 3.941 0 40 IHAB Cc1cccc(Nc2cc(C)nc([C@H]3CN(C(=O)c4ccc5c(c4)OCCO5)CCO3)c2)n1 257235350 GXLATHHCQSVRMC-HSZRJFAPSA-N 446.507 3.822 0 40 IHAB Cc1cc(Cc2cccc(C(F)(F)F)c2)cc([C@@H]2CN(C(=O)Cn3cccn3)CCO2)n1 257284295 PCCDSVSIKITWRN-NRFANRHFSA-N 444.457 3.796 0 40 IHAB Cc1cc(OC2CCN(S(=O)(=O)c3cc(C)c(Cl)cc3Cl)CC2)nc(C)n1 390828496 RJENLYMNDMWGAV-UHFFFAOYSA-N 430.357 3.941 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(C(C)C)cc3)C2)cc1OC 408551420 HUADZLLYGZRLJC-SFHVURJKSA-N 446.569 3.867 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)NC2CCCCCCC2)C1 408582160 BRAJTPYVKUVDNA-INIZCTEOSA-N 443.009 3.978 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCCCCC1)c1ccc(F)cc1 408592037 NIXGMYBMNZHIOW-UHFFFAOYSA-N 434.533 3.741 0 40 IHAB CCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)c2ccccc2)cc1 408662333 RHYNECNSPIXDHB-DHNNRRLOSA-N 449.503 3.890 0 40 IHAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(F)cc2)C1 408701257 VBOBPSUEQXCADD-KRWDZBQOSA-N 434.533 3.997 0 40 IHAB COc1ccc(OC)c(NC(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)c1 408704040 IUQSZOXWXQJECP-UHFFFAOYSA-N 426.494 3.785 0 40 IHAB COc1cccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(C)cc3)[C@H]2c2ccc(Cl)cc2)c1 409054895 OINUHRLMCQJULQ-VNGKGULCSA-O 448.930 3.673 0 40 IHAB Cc1ccc([C@H]2[C@@H](NC(=O)c3cccc(C)c3)C(=O)N/[N+]2=C\c2ccccc2Cl)cc1 409060102 SQWKUKAMHHIBBR-WSBKAMHLSA-O 432.931 3.973 0 40 IHAB CSC1(CNC(=O)c2ccc3c(c2)nc(Cc2cccs2)n3C)CCN(C)CC1 514698022 YUHNTSUJXFLRSI-UHFFFAOYSA-N 428.627 3.783 0 40 IHAB COc1cccc(C2(CNC(=O)[C@H]3CCCN3C(=O)c3cc(Cl)ccc3OC)CC2)c1 565455242 UJNYFLWDISBZSU-HXUWFJFHSA-N 442.943 3.810 0 40 IHAB CC(C)n1cnnc1[C@H]1CCCN(C/C=C/CN2CCC[C@@H](c3nncn3C(C)C)C2)C1 1261637348 PRKFEHGUWMHZCM-WKEQBZBWSA-N 440.640 3.647 0 40 IHAB COc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)[nH]2)CCCC4)c(OC)c1 886889 TUEHBZDTAXUKRS-UHFFFAOYSA-N 431.539 3.611 0 40 IHAB Cc1ccc(CN(C[C@H]2CCCO2)C(=O)CN2C(=O)[C@@H](C(C)C)Oc3ccccc32)o1 1362028 LHIXRGFSBQWCNU-WZONZLPQSA-N 426.513 3.546 0 40 IHAB CC[C@@H]1Oc2ccc(C)cc2N(CC(=O)N(Cc2ccccc2F)C[C@@H]2CCCO2)C1=O 1362347 GMXXQBFSFJABDQ-UGKGYDQZSA-N 440.515 3.846 0 40 IHAB CN1C(=O)[C@@]2(c3ccccc31)c1c(oc3ccccc3c1=O)C(=O)N2CCc1ccccc1 2238952 GGJHFTOTMWVTIK-HHHXNRCGSA-N 436.467 3.712 0 40 IHAB O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)Nc1cc(Cl)c(Cl)cc1Cl 2617748 HKODMIZPNLALOC-IBGZPJMESA-N 438.698 3.979 0 40 IHAB O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1ccc(OC(F)F)cc1 3344665 PJMNZOZVXIGIDC-UHFFFAOYSA-N 436.414 3.966 0 40 IHAB CC(=O)Nc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(C(=O)C4CCCCC4)C2)C3)cc1 6137876 SFCLRVWZZRWVOX-GHTZIAJQSA-N 433.552 4.000 0 40 IHAB biogenic,in-vitro Cc1cccc2cc([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CCCCC3)c(=O)[nH]c12 6443804 KGIJNAMUTSOYHK-QFIPXVFZSA-N 432.503 3.586 0 40 IHAB COc1cccc(C(=O)COC(=O)CCC(=O)Nc2ccc(C(=O)OCC(C)C)cc2)c1 8448103 BYAVANVJNLLNDZ-UHFFFAOYSA-N 441.480 3.653 0 40 IHAB COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccco3)ccc2N2CCCC2)cc1 8686708 UWAUKPGFELCMNL-UHFFFAOYSA-N 441.509 3.942 0 40 IHAB aggregator COC(=O)[C@@H](C)Sc1nc2sc3c(c2c(=O)n1-c1cccc(OC)c1)CCCC3 8893333 PCSPCWCGRFGZGU-GFCCVEGCSA-N 430.551 3.988 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2nnc(Cc3ccccc3)s2)ccc1F 8965808 HALVZICGDMCDSG-UHFFFAOYSA-N 448.545 3.551 0 40 IHAB CCN(CC)CCC[C@H](C)NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 9139474 CVOIPTMSKKZDPX-IBGZPJMESA-N 443.613 3.678 0 40 IHAB CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3)c(C)c1 9169018 FOJBSDWAUDLFGM-UHFFFAOYSA-N 431.514 3.501 0 40 IHAB C[C@H]1CCc2nc(NC(=O)c3ccccc3NC(=O)CSc3nccn3C)sc2C1 9245226 UQOVNEPUKBBUGH-ZDUSSCGKSA-N 441.582 3.985 0 40 IHAB COc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2cccnc2)N2NC=NC2=N3)cc1OC 9309770 CIKPGHUYVVGOQZ-BJKOFHAPSA-N 439.475 3.903 0 40 IHAB COc1cccc(CNC(=O)COc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)c1 9483627 HUTPMBICSJAYER-UHFFFAOYSA-N 431.444 3.869 0 40 IHAB biogenic CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NCc3ccccc3OC)c2)cc1 9508946 ZKJOFPWMKFGOTF-UHFFFAOYSA-N 440.521 3.825 0 40 IHAB COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2C(F)(F)F)cc1OC 9540097 URWIVURXZHHPPY-SFHVURJKSA-N 435.402 3.989 0 40 IHAB CCS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3ccc(Br)o3)c2)nn1 9626896 KQDRHIRVZUQUFL-UHFFFAOYSA-N 436.287 3.545 0 40 IHAB Cc1ccccc1C(=O)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 9666504 QGZXBHGWOWMJNI-UHFFFAOYSA-N 446.878 3.814 0 40 IHAB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 9710966 NEQOUZKRVSISAF-QGZVFWFLSA-N 431.500 3.558 0 40 IHAB COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)NC1CCCCCC1 9765421 QINZQFQSKNHYHE-UHFFFAOYSA-N 428.554 3.899 0 40 IHAB CCC1(CC)NC(=O)N(CC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)C1=O 9836712 IIINMDLNSXHSCF-CQSZACIVSA-N 430.555 3.598 0 40 IHAB CCOC(=O)c1c(NC(C)=O)sc2c(OC[C@H](C)CO)c(Br)ccc12 9942986 SQNXCHYLCMAWQS-SECBINFHSA-N 430.320 3.806 0 40 IHAB CC(C)[C@@H](NC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)c1ccc2c(c1)OCCCO2 9960827 KIDBNSURAMABDZ-HSZRJFAPSA-N 433.508 3.631 0 40 IHAB COc1cn(CC(=O)Nc2ccc(C)cc2C)c(CSc2nnc(C)s2)cc1=O 10254736 WUNXCZLMMKESCZ-UHFFFAOYSA-N 430.555 3.565 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4sc(C)nc4c3)CC2)cc1 10337651 BZUDFWIQCUVSKW-UHFFFAOYSA-N 445.566 3.653 0 40 IHAB CCOC(=O)c1ccc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2Cl)cc1 11999231 DZBURFSRTNZZKO-UHFFFAOYSA-N 436.917 3.699 0 40 IHAB CCOc1ccc(CN2CCC(c3ncc(Cl)cc3S(C)(=O)=O)CC2)cc1OC 12186942 QPVQXYGCMFQIJP-UHFFFAOYSA-N 438.977 3.925 0 40 IHAB COc1ccc(-c2n[nH]c(=S)n2CC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 12556125 DSDOSLZVGVYSIU-UHFFFAOYSA-N 443.960 3.618 0 40 IHAB CCc1ccc([C@H](C(=O)NC(C)(C)C)N(Cc2ccco2)C(=O)c2csnn2)cc1 12638496 LAGNEPUYCNRTKY-LJQANCHMSA-N 426.542 3.992 0 40 IHAB COc1cccc([C@@H](CNC(=O)[C@H](NC(=O)c2ccc(F)cc2)C(C)C)N2CCCC2)c1 12781628 PSVKQBNKSJAMTB-DHIUTWEWSA-N 441.547 3.542 0 40 IHAB CC(=O)c1cc2c(cc1NC(=O)COc1ccccc1C(=O)Nc1ccccc1)OCO2 12821993 GQTCJUODGOAPQN-UHFFFAOYSA-N 432.432 3.888 0 40 IHAB CCc1oc2ccccc2c1/C=C/C(=O)N(CCOC)Cc1nc2ccccc2c(=O)[nH]1 12890021 ALWJYHZLCNARAA-OUKQBFOZSA-N 431.492 3.920 0 40 IHAB Cc1ccc(N(CC(=O)NC2CCCCC2)C(=O)CCCC(=O)Nc2ccccn2)cc1 13027465 AFIZLCJQWXJZHM-UHFFFAOYSA-N 436.556 3.981 0 40 IHAB COc1ccccc1NC(=O)c1ccccc1NC(=O)CCN1C(=O)c2ccccc2C1=O 13146055 YFYLUIXQHLSTKN-UHFFFAOYSA-N 443.459 3.572 0 40 IHAB CC(C)(C)C(=O)N1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C(C)(C)C)C4)CC1 13513510 FZOLDKNZRJUOMI-OAHLLOKOSA-N 444.645 3.826 0 40 IHAB CN(C)C(=O)[C@H](c1ccccc1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 15449883 JLBCOUDBZKRNJQ-KRWDZBQOSA-N 426.870 3.705 0 40 IHAB O=C(CSc1n[nH]c(=O)n1Cc1ccccc1)NC(c1ccccc1)c1ccccc1 16045902 VGFHBBJDHNOFMX-UHFFFAOYSA-N 430.533 3.618 0 40 IHAB Cn1c(=O)c2ccccc2n2c(SCC(=O)Nc3ccccc3-c3ccccc3)nnc12 16321139 GXYPEAXPTGVGTJ-UHFFFAOYSA-N 441.516 3.979 0 40 IHAB CCOC(=O)c1cccc(NC(=O)Cn2cnc3c(sc4cccc(F)c43)c2=O)c1 17306672 ZRVFJRVGPBBGJH-UHFFFAOYSA-N 425.441 3.566 0 40 IHAB O=C(Cc1cccnc1)N1CCc2nc(N3CCCC3)nc(Oc3ccc(F)cc3)c2C1 19338468 JRYOXILINJYMQF-UHFFFAOYSA-N 433.487 3.531 0 40 IHAB CCNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)c2ccccn2)C1 19528646 HPSVKAODIJFMEZ-AREMUKBSSA-N 428.536 3.745 0 40 IHAB CCOC(=O)C1=C(CN2CC=C(c3ccccc3)CC2)NC(=O)N[C@@H]1c1ccc(OC)cc1 19530129 VIZIUWLHMXGTMF-XMMPIXPASA-N 447.535 3.656 0 40 IHAB CNC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CCN(Cc2ccc(OC)c(OC)c2)C1 19591687 VRRPYFABBYBMOG-MHZLTWQESA-N 445.563 3.947 0 40 IHAB O=C(CN1CCN(C(=O)/C=C/c2ccc3ccccc3n2)CC1)Nc1ccccc1Cl 19602788 FFLKCJZIVILRNG-VAWYXSNFSA-N 434.927 3.684 0 40 IHAB Cc1cc(-c2ccc(N)nc2)cc(C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1 19692167 JDCALYZGEVILHG-UHFFFAOYSA-N 426.517 3.742 0 40 IHAB COc1cccc(CN2CCC(c3nc(N(C)C)ncc3-c3cccc(C(N)=O)c3)CC2)c1 19694157 GDXGZJCNBGOGGC-UHFFFAOYSA-N 445.567 3.697 0 40 IHAB C/C(=C\c1ccccc1)CN1Cc2cn(C)nc2[C@@H](C(=O)NCCc2ccc(F)cc2)C1 19701249 VYPKOOJSIHKOEM-RBTCHBCASA-N 432.543 3.921 0 40 IHAB Nc1nc(N2CCCC2)nc2c1[C@@H](C(=O)Nc1ccc(Oc3ccccc3)cc1)CC(=O)N2 19819985 SXQIIOCSOHTKMR-SFHVURJKSA-N 444.495 3.516 0 40 IHAB CCOC(=O)[C@@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@H]1c1cccnc1 19820517 WTGZKMNSGRRSFJ-GOTSBHOMSA-N 440.503 3.789 0 40 IHAB COc1cc(CNCCCSc2nnnn2C)cc(Cl)c1OCc1cccs1 22108467 IEFMPGKXZPVULW-UHFFFAOYSA-N 439.994 3.785 0 40 IHAB CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)Nc1ccc(C(F)(F)F)cc1 22252752 WGPHVRQAPXSCQD-UHFFFAOYSA-N 446.447 3.761 0 40 IHAB NS(=O)(=O)c1ccc(Br)c(C(=O)OCc2ccc(Cl)c(Cl)c2)c1 22520367 IFKCDXIBALBRDA-UHFFFAOYSA-N 439.114 3.760 0 40 IHAB O=C(CN1CCN(C(=O)c2ccsc2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 22639978 UXKGSHFATXMDRH-UHFFFAOYSA-N 431.867 3.817 0 40 IHAB CN(C)S(=O)(=O)c1ccc(C(=O)OCc2cc(-c3cc4ccccc4o3)on2)cc1 22769064 HEKNYUUKHLEFDJ-UHFFFAOYSA-N 426.450 3.695 0 40 IHAB Cc1cc(NC(=O)CN2CCN(Cc3nc4ccccc4s3)CC2)n(-c2ccccc2)n1 22792439 ASGYWXZRAXOEPX-UHFFFAOYSA-N 446.580 3.547 0 40 IHAB O=C(CN1CCN(C/C=C/c2ccccc2)CC1)Nc1ccccc1C(=O)NC1CCCC1 22914257 XVMZGYUAYDSTLY-DHZHZOJOSA-N 446.595 3.629 0 40 IHAB CCC(C)(C)n1nnnc1[C@H](c1ccccc1OC)N1CCN(Cc2ccccc2)CC1 22928793 KIBZDNVWXBKESL-QHCPKHFHSA-N 434.588 3.734 0 40 IHAB COC(=O)C1CCN([C@@H](c2ccc(C(C)C)cc2)c2sc3nc(C)nn3c2O)CC1 23157165 YGBXKVLYBFGXJE-SFHVURJKSA-N 428.558 3.903 0 40 IHAB O=C(c1ccc(Cl)cc1)N1CCC[C@H](C(=O)N2CCN(Cc3cccs3)CC2)C1 23735844 DIMOODQBLOBBES-SFHVURJKSA-N 431.989 3.598 0 40 IHAB O=C(NC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1c(F)cccc1F 25177818 DOZGYLZUQNLBAY-UHFFFAOYSA-N 448.779 3.704 0 40 IHAB O=C(CSc1nnc(-c2ccc[nH]2)o1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 28131346 BZZOFRFEJIXKGB-INIZCTEOSA-N 426.498 3.682 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCSCc3ccsc3)C2)s1 28317874 HUUHNOSBBBHEGC-INIZCTEOSA-N 444.669 3.568 0 40 IHAB CC1=C(C(=O)N(C)C)[C@@H](c2ccccc2Cl)NC(=S)N1c1ccc2c(c1)OCCO2 28724826 LYSGVXSHICUBJI-HXUWFJFHSA-N 443.956 3.909 0 40 IHAB COc1ccc(-c2noc(CCCCCNC(=O)c3ccccc3[S@](C)=O)n2)cc1 32772574 CVWCCXFPPTXZRG-SSEXGKCCSA-N 427.526 3.625 0 40 IHAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cc(-c2ccco2)nc2ccccc12 32820384 AGQIYZMTSYIATD-UHFFFAOYSA-N 447.516 3.948 0 40 IHAB Cc1cccn2c(=O)cc(COc3cccc(NC(=O)COc4ccccc4F)c3)nc12 33268571 AJPMQDUBSIPAPZ-UHFFFAOYSA-N 433.439 3.739 0 40 IHAB COc1ccccc1[C@@H](C(=O)NC(C)(C)C)N(C(=O)c1csnn1)c1ccc(F)cc1 35310888 CFHFPRQSYAWFRO-IBGZPJMESA-N 442.516 3.989 0 40 IHAB CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3ccc(C(=O)O)cc3)n2C)cc1 35395641 FAOGSTSFNOOHHE-CQSZACIVSA-N 440.525 3.947 0 40 IHAB COCCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3cccc(C)c3C)c2c1=O 48988073 NMMAYSVPFVIXKZ-UHFFFAOYSA-N 430.508 3.767 0 40 IHAB COc1cccc(-n2ccc(=O)c(-c3nc(-c4ccc(Br)cc4)no3)n2)c1 49006375 DOWIGVYZRRGNDC-UHFFFAOYSA-N 425.242 3.721 0 40 IHAB O=C(Cn1nc2ccc(-c3ccccc3)nn2c1=O)Nc1ccc(Cl)c(C(F)(F)F)c1 49009326 KLQVMFULISHJNX-UHFFFAOYSA-N 447.804 3.869 0 40 IHAB COC(=O)c1ccc(NC(=O)c2c(O)c3sccc3n(Cc3ccccc3)c2=O)cc1 65215653 XUVXWIFAJODQDU-UHFFFAOYSA-N 434.473 3.856 0 40 IHAB O=C(COC(=O)c1ccccc1I)NCc1ccc(F)cc1Cl 72330001 RFNWAARJUXHSRQ-UHFFFAOYSA-N 447.631 3.557 0 40 IHAB O=C(NCCn1nc(C2CC2)n(-c2ccccc2)c1=O)NCc1cccc2ccccc12 77198028 CFYSZJFWCLSBGX-UHFFFAOYSA-N 427.508 3.564 0 40 IHAB COc1ccc(-c2coc3c4c(cc(OC)c3c2=O)OC(=O)C[C@@H]4c2cnn(C)c2)cc1 85875782 LIKOXBJIIFQIOD-MRXNPFEDSA-N 432.432 3.652 0 40 IHAB biogenic O=C(c1cccc2ccccc12)N1CCC[C@H](C(=O)N2CCC([C@@H](O)C(F)(F)F)CC2)C1 89873172 TXIJDOHWZPRMAP-GHTZIAJQSA-N 448.485 3.854 0 40 IHAB COCc1nnc(NC(=O)c2cn(-c3cc(F)c(F)c(F)c3)c(=O)c3ccccc23)s1 95472444 UWUYDGVMYPIKKU-UHFFFAOYSA-N 446.410 3.658 0 40 IHAB CC(C)c1noc(CCNC(=O)[C@@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)n1 95988878 VSDPUOHJGSPKHG-AUUYWEPGSA-N 436.915 3.642 0 40 IHAB O=S(=O)(NCCn1nc(-c2ccncc2)c2c1CCCC2)c1ccc(F)c(Cl)c1 96121470 UJKXQGYLDZCYSW-UHFFFAOYSA-N 434.924 3.595 0 40 IHAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1CN(C(=O)c1ccccc1)c1ccc(Cl)cc1 100394685 ZFMMPPBIGVCAFH-ILHTXMRTSA-N 432.907 3.997 0 40 IHAB COCCn1/c(=N/C(=O)c2cccc(Br)c2)sc2cc(NC(C)=O)ccc21 100873060 PZSWMNKJYHWZOM-QOCHGBHMSA-N 448.342 3.811 0 40 IHAB C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)[C@H](O)C[C@]5(C)[C@H]4CC(=O)[C@]3(C)[C@H]1[C@@H]2C 118918275 PBLXVDNSLUFVHF-DQFOQLPCSA-N 446.628 3.944 0 40 IHAB COc1ccc(N(C)C(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)cc(C)cc3C)C2)cc1 222565883 IQVAVHFJJWPWRW-LJQANCHMSA-N 430.570 3.684 0 40 IHAB Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)N(C)c1ccc(F)cc1 222767824 MBLCKEGVUIBGTP-UHFFFAOYSA-N 434.533 3.787 0 40 IHAB Cc1cc(S(=O)(=O)NC2CC2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 223054267 GOUREGTZGPNNGX-UHFFFAOYSA-N 429.325 3.760 0 40 IHAB COc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN(C)C)c1 223237575 FLLGAMXOQKULOM-XZOQPEGZSA-N 435.597 3.805 0 40 IHAB COCc1cccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1 223505447 SMQCFQBOUPOPHQ-UHFFFAOYSA-N 428.485 3.806 0 40 IHAB CC(C)c1ccccc1OCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 223837101 DZANUBXGTDRMGX-GOSISDBHSA-N 448.560 3.545 0 40 IHAB CCOC(=O)c1cc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)ccc1Cl 223847682 CYQSROPPARDAQU-UHFFFAOYSA-N 436.917 3.617 0 40 IHAB O=C(NCCCSCc1ccc(F)cc1)c1cccc(N2CCCCS2(=O)=O)c1 224390843 VEXXQPUTTJGKCD-UHFFFAOYSA-N 436.574 3.809 0 40 IHAB CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(OC)c(OC)c1 224874124 KMIRONJTNVASPA-KRWDZBQOSA-N 430.520 3.719 0 40 IHAB COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3cccc(F)c3)cc2)c1 224955655 WYVIZPLVUXXMLC-UHFFFAOYSA-N 430.457 3.896 0 40 IHAB CN(c1cccc(NC(=S)NCCSCc2cccc(Cl)c2)c1)S(C)(=O)=O 225299631 XELRWKLVDBOTEM-UHFFFAOYSA-N 444.047 3.956 0 40 IHAB Cc1ccc(NC(=O)CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2CC(=O)O)cc1 225546574 MYYDGSPGLOLVBF-UHFFFAOYSA-N 448.504 3.515 0 40 IHAB COc1ccccc1OCC(=O)NC[C@H]1CC[C@H](c2nnc(-c3scnc3C)o2)CC1 257203596 AQUJAUNDGSJHLQ-WKILWMFISA-N 442.541 3.979 0 40 IHAB Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(I)cc3)CC2=O)c1C 408647809 XNHZVNAHBXYKRV-AWEZNQCLSA-N 434.277 3.900 0 40 IHAB Cc1cc(C)cc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(Br)cc3)CC2=O)c1 408655145 KYYRFVPDWKFOIN-HNNXBMFYSA-N 445.313 3.601 0 40 IHAB CCCCOC(=O)CN1C(=O)S/C(=C/c2cc(Br)c(O)c(OC)c2)C1=O 409213070 SEGUSIDZSXYWAV-MDWZMJQESA-N 444.303 3.543 0 40 IHAB COC(=O)c1ccc(OC)c(S(=O)(=O)NCCc2ccc(-c3ccsc3)s2)c1 575414091 SAIKIZLMANQETF-UHFFFAOYSA-N 437.564 3.793 0 40 IHAB CC(C)(C)OC(=O)N1CCC(CCN2CCN(C(=O)OCc3ccccc3)CC2)CC1 1653821475 SMECQAYZQREELM-UHFFFAOYSA-N 431.577 3.978 0 40 IHAB CC(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)C[C@@H](Cc2cn3cc(C)nc3cn2)C1 2037838286 AQJFPSJGKOOHOP-LJQANCHMSA-N 445.489 3.580 0 40 IHAB CO[C@@H]1CCN2C[C@@H]1CCCCN(Cc1cccc(C)n1)CCOc1ccccc1C2=O 2037978285 NEIHPJKGDRFIGK-XUZZJYLKSA-N 437.584 3.932 0 40 IHAB COc1cc(CN2CCC(C(=O)N3CCC(C)CC3)CC2)cc(Br)c1O 819289 DWTZHRXWMUTLHT-UHFFFAOYSA-N 425.367 3.634 0 40 IHAB O=C(NCCc1ccc(Cl)cc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 1341935 OQHABDZJXHIRJU-SFHVURJKSA-N 427.353 3.505 0 40 IHAB CC(C)c1nc2sc3c(c2c2nnc(SCC(=O)N4CCOCC4)n12)CC[C@@H](C)C3 1376561 VDIBVVCFPOQBNI-CYBMUJFWSA-N 445.614 3.538 0 40 IHAB Cc1c(NC(=O)c2cc(F)c(N3CCCC3)c(F)c2F)c(=O)n(-c2ccccc2)n1C 1430496 PQEIRNMDZYUOBX-UHFFFAOYSA-N 430.430 3.754 0 40 IHAB Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(OCC(=O)N[C@H](C(=O)O)C(C)C)ccc12 2104150 ZBHYAQOBUPPMOP-QFIPXVFZSA-N 437.492 3.605 0 40 IHAB biogenic CCOC(=O)c1ccccc1NC(=O)Cn1c(C)cc(=O)c2cc(Br)ccc21 2218909 ZHQSCFKKJWUCMC-UHFFFAOYSA-N 443.297 3.888 0 40 IHAB COc1ccccc1[C@@H]1C[C@@H](c2ccc(Cl)cc2)Nc2nc(N3C(=O)CCC3=O)nn21 2231596 NQDWLJXYRCCWIN-IRXDYDNUSA-N 437.887 3.740 0 40 IHAB CCOC(=O)CSc1nc2ccccc2c2nc(CCn3c(C)nc4ccccc43)nn12 2969304 YEXYVJSMFGYXPQ-UHFFFAOYSA-N 446.536 3.834 0 40 IHAB C[C@H](NC(=O)c1ccccc1NC(=O)CSc1nnc2ccccn12)c1ccccc1 3430140 WJCHCOIWRUHTPV-INIZCTEOSA-N 431.521 3.951 0 40 IHAB CCOc1ccc(C(=O)Nc2c3c(nn2-c2ccc(C)cc2)C[S@@](=O)C3)cc1OCC 6578010 STGPHPQFYSSSSC-WJOKGBTCSA-N 439.537 3.993 0 40 IHAB C[C@H](N[C@@H](C)c1cc2ccccc2o1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 8734776 HRTKOYMCWMHMPW-IRXDYDNUSA-N 441.553 3.895 0 40 IHAB Cc1coc2cc3oc(=O)c(CCC(=O)N4CCN(c5ccccn5)CC4)c(C)c3cc12 8765185 QJWGLDGBFAOZFA-UHFFFAOYSA-N 431.492 3.832 0 40 IHAB biogenic O=C(CSc1nnnn1Cc1ccccc1)N[C@@H](c1ccc(F)cc1)c1cccs1 9257819 MJFCZOZJEJYPDL-FQEVSTJZSA-N 439.541 3.920 0 40 IHAB COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1c(O)n(CCc2ccccc2)c(=S)[nH]c1=O 9318516 HIRTVLPDRPGPHL-NRFANRHFSA-N 448.548 3.579 0 40 IHAB biogenic COc1cccc(Nc2nnc(SCC(=O)c3c[nH]c(C(=O)N4CCCC4)c3)s2)c1 9378826 FYFZJTHLQBOGPX-UHFFFAOYSA-N 443.554 3.829 0 40 IHAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1ncnc2c1cnn2-c1ccccc1 9393284 FIMKCQNZGXQJFP-UHFFFAOYSA-N 435.509 3.912 0 40 IHAB Cc1noc(C)c1CSc1ccccc1C(=O)N1CCN(C(=O)c2ccco2)CC1 9508330 WHUOBAVZJUUTCY-UHFFFAOYSA-N 425.510 3.775 0 40 IHAB Cc1ccc(-c2n[nH]c(SCC(=O)Nc3sc4c(c3C(N)=O)CC[C@H](C)C4)n2)cc1 9669643 WCWNAHHQSBEVGH-LBPRGKRZSA-N 441.582 3.796 0 40 IHAB COc1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2CCCCC2)cc(OC)c1OC 9673275 UTYLCRMOMNCDLL-FQEVSTJZSA-N 440.540 3.959 0 40 IHAB CCS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cc(OC)ccc3OC)cs2)cc1 9707774 OPDFZGLRNIEMLP-UHFFFAOYSA-N 432.523 3.873 0 40 IHAB Cc1cc(C(=O)CSc2nc3cc(S(=O)(=O)N(C)C)ccc3o2)c(C)n1C1CC1 9711914 FHCITSFEEVZFPO-UHFFFAOYSA-N 433.555 3.806 0 40 IHAB CN(C[C@@H]1COc2ccccc2O1)C(=O)CSc1nnc(-c2cccs2)n1C1CC1 9714047 JGZMGPBREFNDBM-OAHLLOKOSA-N 442.566 3.732 0 40 IHAB NC(=O)[C@@H]1CCCN(C(=O)CSc2nc(-c3cccs3)c(-c3cccs3)[nH]2)C1 9739299 VMXXJJMMYHGOGU-GFCCVEGCSA-N 432.596 3.683 0 40 IHAB COC[C@H](C)n1c(C)cc(C(=O)CN2C(=O)N[C@@](C)(c3cc4ccccc4o3)C2=O)c1C 9753771 PGAIUZBKHKUODC-OWJWWREXSA-N 437.496 3.708 0 40 IHAB COc1ccc(NC(=O)CSc2nccn(-c3ccc(OC)c(Cl)c3)c2=O)cc1 9761403 FRDHGKNOFHHSDX-UHFFFAOYSA-N 431.901 3.634 0 40 IHAB CCOc1ccc2ccccc2c1C(=O)Nc1cc(C)nn1-c1nc2c(c(=O)[nH]1)CCC2 9822559 YZGMEUWAYMYEPT-UHFFFAOYSA-N 429.480 3.557 0 40 IHAB CCOc1ccc(-c2ccc(=O)n(CCNC(=O)c3cccc(Br)c3)n2)cc1 9844363 NRGZGSCPNFNZOM-UHFFFAOYSA-N 442.313 3.502 0 40 IHAB COc1ccc(NC(=O)C[C@@H](C)CC(=O)N2CCN(c3ccc(F)cc3)CC2)c(OC)c1 9849588 VLWBVHFZQKMXMP-QGZVFWFLSA-N 443.519 3.547 0 40 IHAB COc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(C(F)(F)F)cc3)n2)cc1OC 10131827 IDXCUJRBQSNEFK-UHFFFAOYSA-N 433.386 3.585 0 40 IHAB Cc1cc(NC(=O)CSc2cc(Cl)ccc2Cl)n([C@@H]2CCS(=O)(=O)C2)n1 11871940 XYUOEVWDCKSEML-GFCCVEGCSA-N 434.370 3.589 0 40 IHAB CCCOc1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1 12138181 XVXQHHAACUBYLE-GOSISDBHSA-N 441.553 3.511 0 40 IHAB CCOc1ncc([C@]2(O)CCC[C@@H]3CN(Cc4cc(OC)ccc4F)C[C@@H]32)c(OCC)n1 12233435 UUCJETPKIRSFCI-AAORUROXSA-N 445.535 3.541 0 40 IHAB COc1cc(/C=C(\NC(=O)c2ccccc2)C(=O)NCc2ccccc2)ccc1OC(C)=O 12364627 CIILPBQQAUVACQ-JCMHNJIXSA-N 444.487 3.708 0 40 IHAB biogenic Cc1nc(C(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)nn1-c1ccc(F)cc1 12393291 IDSUUBPSOFQDOT-UHFFFAOYSA-N 447.436 3.692 0 40 IHAB Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(-c3ccccc3)cc1)[C@@H]1C(=O)c3ccccc3C1=N2 12582787 HUHQOMCEJDRBIJ-YADHBBJMSA-N 447.494 3.830 0 40 IHAB Cc1ccccc1NC(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCC3)=NC2=O)cc1 12745217 FKVGWWRMICYANX-LJQANCHMSA-N 436.537 3.670 0 40 IHAB C[C@H](NC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1)c1ccccc1Cl 12895839 DHIYKKDCFFBGMA-ZDUSSCGKSA-N 427.979 3.615 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)/C=C/c3ccc(C(C)(C)C)cc3)CC2)cc1 13648790 RAROVEOQWXKGID-NTEUORMPSA-N 426.582 3.839 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3oc(C)nc3c2)Cc2ccco2)cc1 14136608 DRMOKVOQHLDDIK-UHFFFAOYSA-N 439.493 3.867 0 40 IHAB CCC(=O)N(c1nnc(SCC(=O)c2cccc(N3CCCC3=O)c2)s1)C1CC1 14232959 QETOGQKRPLMOSG-UHFFFAOYSA-N 430.555 3.545 0 40 IHAB CC[C@@H](C)Cc1c(C)sc2nc(SCn3nnc4ccccc4c3=O)[nH]c(=O)c12 14244685 OPNKPCLAKRGKDB-LLVKDONJSA-N 427.555 3.736 0 40 IHAB Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3cccc(-c4nnnn4C)c3)c12 14519393 GSBFSCGSYRHRNY-UHFFFAOYSA-N 429.415 3.780 0 40 IHAB COc1ccc(C(=O)NCC23CC4CC(CC(C4)C2)C3)cc1S(=O)(=O)NC1CCCC1 17062213 ZDVRWOHURUOCEX-UHFFFAOYSA-N 446.613 3.862 0 40 IHAB O=C(CCn1c(=O)oc2ccccc21)NCCSCc1ccc(Br)s1 18704733 PEGXPZGBTPNQDC-UHFFFAOYSA-N 441.372 3.858 0 40 IHAB Cn1cc(CN2CCN(C(=O)c3sc4cc(OC(F)F)ccc4c3Cl)CC2)cn1 19632653 BXOKZIVPRJUQFM-UHFFFAOYSA-N 440.903 3.848 0 40 IHAB CCN(CC)C(=O)CN1CC[C@@H](c2cc(C(=O)Nc3nccs3)c3ccccc3n2)C1 19760939 CTSYUYCHWXWPMJ-MRXNPFEDSA-N 437.569 3.601 0 40 IHAB COc1cccc(OC)c1C(=O)Nc1nc(-c2ccc3c(c2)NC(=O)CO3)c(C)s1 19796462 HMFYNAJVPDYLBW-UHFFFAOYSA-N 425.466 3.719 0 40 IHAB CCN(CC(=O)N[C@@H](C)c1ccc(SC)cc1)S(=O)(=O)c1ccc(Cl)cc1 20014113 VAHFDJUTDCKHQA-AWEZNQCLSA-N 426.991 3.950 0 40 IHAB CN(C)S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1 20035858 TWOVWLHKZGJYIA-WNZYQOIOSA-N 445.629 3.611 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)[C@@H](C)Oc1cccc(C)c1C 20460866 UENRZDRFJAWAKY-QGZVFWFLSA-N 432.542 3.503 0 40 IHAB COc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)CC1=O 21748628 BGXMCTJSMUQZBK-GFCCVEGCSA-N 437.279 3.537 0 40 IHAB O=S(=O)(c1ccc(F)cc1F)N1CCN(Cc2nc(-c3cccs3)cs2)CC1 22605920 UAJDRPNCJAKSBA-UHFFFAOYSA-N 441.550 3.656 0 40 IHAB COc1ccccc1[C@@H](c1nnnn1C1CCCC1)N1CCN(Cc2ccccc2)CC1 22928649 BRKSKUNUZAAVRG-DEOSSOPVSA-N 432.572 3.704 0 40 IHAB Cc1ccccc1[C@H](OC[C@@H](O)CN1C(=O)NC2(CCC(C)CC2)C1=O)c1ccccc1 24089766 PEEUPWIFUCEXOQ-MFQLZACFSA-N 436.552 3.963 0 40 IHAB COc1cccc(N2CCN(C(=O)[C@@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)CC2)c1 24575864 HTZKVOYDAPREQL-LJQANCHMSA-N 441.959 3.550 0 40 IHAB O=C(c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)N1CCC[C@H]1c1cccnc1 27163440 IXRCPHCVXHFHAB-NRFANRHFSA-N 425.485 3.999 0 40 IHAB CS(=O)(=O)N1CC[C@H](C(=O)NC(c2ccccc2)c2ccccc2)Oc2ccccc21 30944291 PCIGHCGTWHGNCS-JOCHJYFZSA-N 436.533 3.510 0 40 IHAB O=S1(=O)C[C@H]2N=C(SCc3ccc(F)cc3Cl)N(c3ccccc3F)[C@H]2C1 32640421 VTQKLPUFAXEMOO-WBVHZDCISA-N 428.913 3.893 0 40 IHAB CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N(C)C[C@H]1COc2ccccc2O1 32674286 LFQJLHAOSAJZNM-SKDNTBHBSA-N 440.584 3.642 0 40 IHAB Cc1cc(NC(=O)CC[C@H]2NC(=O)N(c3ccc(F)cc3)C2=O)ccc1Br 32935233 JSLHHERFMZACHK-MRXNPFEDSA-N 434.265 3.740 0 40 IHAB CCn1c(SCC(=O)Nc2nc(C)cs2)nnc1[C@H](C)NC(=O)c1cccc(C)c1 33634752 HLGPGBGCTBJWEN-AWEZNQCLSA-N 444.586 3.593 0 40 IHAB CCn1c(SCC(=O)Nc2ccccc2C(=O)OC)nnc1[C@H](C)Oc1ccccc1 35212095 SZDPYNMZVCLSOO-HNNXBMFYSA-N 440.525 3.955 0 40 IHAB CCCN(CC(=O)N(C)C)Cn1nc(Nc2cccc(Br)c2)sc1=S 48343156 WFYBGCYHTGSJQP-UHFFFAOYSA-N 444.424 3.938 0 40 IHAB O=S(=O)(c1ccc2nncn2c1)N(Cc1cc(F)cc(F)c1)c1ccc(F)c(F)c1 49408572 YAYUUGGLNAMAST-UHFFFAOYSA-N 436.390 3.681 0 40 IHAB COc1ccc(Cl)cc1NC(=O)CN(CCO)Cc1cc(Br)ccc1F 58298172 OGQIZDMRJWNJAA-UHFFFAOYSA-N 445.716 3.683 0 40 IHAB COc1ccc(NC(=O)[C@H]2C[C@H]3CCCN3[C@]23C(=O)Nc2c(Cl)cc(C)cc23)cc1 64165056 FSXFFARJUOASMZ-YLEKAMJDSA-N 425.916 3.927 0 40 IHAB COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)Nc3ccc(C)cc3)Oc3ccccc32)cc1 64986230 COXGNOSFZRBOTD-QFIPXVFZSA-N 438.505 3.599 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2C(C)C)cc1 67235892 IFGKGTOOZBOJHV-UHFFFAOYSA-N 428.514 3.521 0 40 IHAB COc1cccc2c1N(C(=O)CCc1nc(C3(NC(C)=O)CCCCCC3)no1)CCC2 69946368 LCWLSYPHNZBGKW-UHFFFAOYSA-N 440.544 3.676 0 40 IHAB NC(=O)c1cnc(N2CCC3(CC2)C[C@@H]3c2nnc(-c3cccc(F)c3)o2)c(Cl)c1 71890508 BMFXYSMXQNXPFM-OAHLLOKOSA-N 427.867 3.797 0 40 IHAB O=S(=O)(CCCc1ccccc1)N1CCC[C@H](c2cccc(Nc3ncccn3)n2)C1 72376121 HOHAJJRHOHRWAV-FQEVSTJZSA-N 437.569 3.757 0 40 IHAB FC(F)(F)Oc1cccc(Cc2nnc3sc(-c4n[nH]cc4Br)nn23)c1 72404847 WGTNAGOQRPCXGS-UHFFFAOYSA-N 445.224 3.828 0 40 IHAB COc1ccc(Cl)cc1-c1nnc2sc(-c3[nH]nc(C)c3Br)nn12 72406279 LRNTYLAYMIKNTH-UHFFFAOYSA-N 425.699 3.976 0 40 IHAB CN(C)CCn1ccc(NC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)n1 78718499 RLMVIYXAFGEMTG-HXUWFJFHSA-N 439.947 3.598 0 40 IHAB COc1ccc(C2(CNC(=O)[C@H](C(C)C)N3Cc4ccccc4C3=O)CCOCC2)cc1 79190931 YTKHGYZEFIRJMX-QHCPKHFHSA-N 436.552 3.540 0 40 IHAB biogenic O=C(CN1CC(c2nc(-c3cccc(C(F)(F)F)c3)no2)C1)NCc1ccc(F)cc1 90567237 OGTAIKKGMKBOFU-UHFFFAOYSA-N 434.393 3.610 0 40 IHAB Cc1cc(C)c2c(c1)s/c(=N/C(=O)c1ccc(S(=O)(=O)N3CCCCC3)cc1)n2C 100819127 QSJOEFYSKLSZAA-GHVJWSGMSA-N 443.594 3.772 0 40 IHAB CCCOc1ccc2ccccc2c1/C=C1\SC(=O)N(CC(=O)N2CCOCC2)C1=O 106709031 XWVUTSHATATGDL-ZHZULCJRSA-N 440.521 3.524 0 40 IHAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N[C@H](C)c1cc(C)c(C)cc1C 223498502 ABDALMNZPLFHKK-GOSISDBHSA-N 432.586 3.681 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCCSC1CCCC1 223559252 OBRPJLWUZRMZLC-UHFFFAOYSA-N 440.631 3.521 0 40 IHAB Cc1cc(C)cc(OCCNC(=O)CCCN(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 224077236 NJNQNZCBMMJFCY-UHFFFAOYSA-N 432.586 3.662 0 40 IHAB COc1ccc(CNC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(F)cc3)c2)cc1 224168871 GCUPHOGQTYNFJS-UHFFFAOYSA-N 428.485 3.589 0 40 IHAB CC[C@H](C(=O)NCCOc1ccc(C)c(C)c1)N(c1ccc(Cl)cc1)S(C)(=O)=O 224307978 MXCSYJZHEQTHBE-HXUWFJFHSA-N 438.977 3.697 0 40 IHAB CCOc1ccc(C(=O)N2CCCCC2)cc1CN(c1ccc(F)cc1)S(C)(=O)=O 224804779 XFHOXKUKOTZVMY-UHFFFAOYSA-N 434.533 3.817 0 40 IHAB COC(=O)CN(c1ccc(Br)c(Cl)c1)S(=O)(=O)c1ccc(F)cc1 224919578 OMLZRXBVBIDRIT-UHFFFAOYSA-N 436.686 3.610 0 40 IHAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)COc1cc(OC)cc(OC)c1 225273916 NIYADHSVABDFCM-JOCHJYFZSA-N 446.519 3.555 0 40 IHAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCc1ccc2c(c1)OCO2 225376898 ZQVYHQKBCYSMDX-QZTJIDSGSA-N 440.540 3.689 0 40 IHAB O=C(Nc1ccccc1F)c1cc(C2CCN(C(=O)c3cnc(O)c(Cl)c3)CC2)n[nH]1 225562477 COBRYICTFWARFI-UHFFFAOYSA-N 443.866 3.575 0 40 IHAB COc1ccc(CN(C(=O)COc2cc(C)cc(C)c2C)[C@H](C)C(=O)NC(C)C)cc1 225677641 HDVRJLSEXQDNTQ-HXUWFJFHSA-N 426.557 3.941 0 40 IHAB Cc1cc(NC(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)ccc1Br 225828627 AWHGGFCDQGVXTI-CYBMUJFWSA-N 441.347 3.559 0 40 IHAB CC[C@H]1CCCCN1CCCNC(=O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1 260565847 WUGDWUSFTKVNIS-NRFANRHFSA-N 443.613 3.896 0 40 IHAB Cc1cc(C)cc(N([C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)S(C)(=O)=O)c1 260897502 MMIBUWLJLOGSPP-CQSZACIVSA-N 430.448 3.995 0 40 IHAB CC(C)n1nccc1[C@H]1CN(C(c2ccccc2)c2ccccc2)C[C@]12OCCN(C)C2=O 306131208 JYPSHEJIKUOVIO-KCWPFWIISA-N 444.579 3.880 0 40 IHAB CCn1c(COc2ccccc2C)nnc1SCC(=O)Nc1ccc(C(=O)OC)cc1 408595032 FVCMOPNSJBCMPB-UHFFFAOYSA-N 440.525 3.703 0 40 IHAB CCOc1ccc(NC(=O)COC(=O)CCC(=O)Nc2cc(Cl)ccc2OC)cc1 408644503 GHRGOLQAONYITK-UHFFFAOYSA-N 434.876 3.648 0 40 IHAB CCc1ccccc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 408663629 QCNFFRGAJSEFEW-BGYRXZFFSA-N 432.476 3.500 0 40 IHAB COc1cccc(NC(=O)COC(=O)CCC(=O)Nc2cc(Cl)ccc2Cl)c1 408668017 UOEFVPBSYPOUEP-UHFFFAOYSA-N 425.268 3.903 0 40 IHAB COc1ccc(NC(=O)c2ccccc2N2C(=O)[C@H]3[C@@H]4C[C@H](C=C4C)[C@@H]3C2=O)c(OC)c1 408673488 SMYZALSFMKGHET-PNEUHGTJSA-N 432.476 3.658 0 40 IHAB CC(C)c1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(F)cc3)[C@H]2c2ccccc2)cc1 409058819 LJMYQGFEORIDKY-SEKQKOPYSA-O 430.503 3.965 0 40 IHAB COCCCNC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1-c1ccc(C)cc1 409202124 PAYFZXYJDHJABI-UHFFFAOYSA-N 431.583 3.617 0 40 IHAB CN(C)CCOc1ccc(C(=O)N2CCO[C@H](c3cccc(Cc4ccccc4)n3)C2)cc1 585260854 SRPFSGABTCCVOV-SANMLTNESA-N 445.563 3.827 0 40 IHAB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3nc4cc(F)ccc4[nH]3)cc2)c1 591993002 UCQGAFAIBGDGCO-UHFFFAOYSA-N 438.484 3.872 0 40 IHAB Cn1ccc2c(NC(=O)CN3C(=O)c4ccccc4N4C(=O)c5ccccc5[C@@H]34)cccc21 604419010 IXKOVXJMPFDBFR-DEOSSOPVSA-N 436.471 3.932 0 40 IHAB CC(C)CNS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(N(C)C)cc3)sc2c1 937619 GRKOVEJRBFKQCB-UHFFFAOYSA-N 432.571 3.549 0 40 IHAB COc1ccc(NC(=O)c2c(C(=O)Nc3ccccc3)sc3nc(C)cc(=O)n23)cc1 1320926 XWYMWHJROKEELE-UHFFFAOYSA-N 434.477 3.578 0 40 IHAB Cc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)c3ccccc3F)n2)cc1 1372790 NHTNQPUUYHBPAB-UHFFFAOYSA-N 430.443 3.679 0 40 IHAB O=C(OCC(=O)c1c[nH]c2ccccc12)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 3413160 GTAZQOZGSXLLFH-UHFFFAOYSA-N 440.521 3.772 0 40 IHAB CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(OC)c(OC)c2)sc(C)c1CC 3473058 LNZKEFNJRBPMKV-UHFFFAOYSA-N 435.498 3.608 0 40 IHAB COC(=O)c1sc(NC(=O)CSc2nc3cc(OC)c(OC)cc3cc2C)nc1C 6195060 OSGILOZIKYTODZ-UHFFFAOYSA-N 447.538 3.843 0 40 IHAB Cc1ccc2cc([C@@H](c3nnnn3Cc3ccccc3)N3CCCCC3)c(=O)[nH]c2c1C 6442405 IHZOCIAXHQAMBL-QHCPKHFHSA-N 428.540 3.755 0 40 IHAB COc1ccccc1CCNC(=O)[C@@H]1CCc2sc(NC(=O)c3ccc(F)cc3)nc21 9131541 KBIVZEAFTPGJPI-QGZVFWFLSA-N 439.512 3.932 0 40 IHAB Cn1c(-c2ccccc2)c(C(=O)COC(=O)c2ccccc2-n2cnnn2)c2ccccc21 9155426 OODVNQKBGNZOFQ-UHFFFAOYSA-N 437.459 3.861 0 40 IHAB Cc1ccc(C)c(NC(=O)CN2C(=O)N[C@@](Cc3ccccc3)(c3ccccc3)C2=O)c1 9193614 TXXFAZIWRHXZCA-SANMLTNESA-N 427.504 3.932 0 40 IHAB COc1ccc(CNc2nc(-c3cccnc3)nn2C(=O)Cc2ccc(OC)cc2)cc1 9288798 NRNQNGUIAUXWHB-UHFFFAOYSA-N 429.480 3.852 0 40 IHAB COc1ccc(CCNC(=O)c2csc(NC(=O)Nc3ccccc3)n2)cc1OC 9317199 SYDOTWSUBHAPHJ-UHFFFAOYSA-N 426.498 3.777 0 40 IHAB Cc1ccccc1N1CCN(C(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)CC1 9364849 NBVZLZKMAYYFMB-UHFFFAOYSA-N 438.531 3.965 0 40 IHAB COc1ccc(CN2C(=O)N[C@@H](CCC(=O)Nc3cc(Cl)cc(Cl)c3)C2=O)cc1 9419963 SYSDVNYEPMBWJR-KRWDZBQOSA-N 436.295 3.841 0 40 IHAB CCOc1ccc(-c2nnc(SCC(=O)Nc3cc(C)c(Cl)cc3OC)n2N)cc1 9459259 XQUOCUGMWDZGRY-UHFFFAOYSA-N 447.948 3.759 0 40 IHAB Cc1ccc(N2C(=O)C[C@@H](N3O[C@@](O)(c4ccccc4)C[C@H]3c3ccccc3)C2=O)cc1 9461507 MCNZCLWFSJUCRG-MVERNJQCSA-N 428.488 3.851 0 40 IHAB CCOC(=O)C[C@H](NS(=O)(=O)c1cc(OCC)ccc1OCC)c1ccc(C)cc1 9489390 RNIAVFSNBKXXBK-IBGZPJMESA-N 435.542 3.765 0 40 IHAB CS(=O)(=O)N(CC(=O)Nc1ccc(Br)c(Cl)c1)c1cccc(F)c1 9493451 OJJYNNJXKXZNHH-UHFFFAOYSA-N 435.702 3.646 0 40 IHAB O=C(COC(=O)c1cccc(I)c1)Nc1ccc(F)cc1Cl 9540418 QDOJRBWVDWMIJD-UHFFFAOYSA-N 433.604 3.879 0 40 IHAB O=C(CNc1ccccc1F)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 9582615 LRSNJMPMLYZIQO-UHFFFAOYSA-N 425.913 3.704 0 40 IHAB COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc1 9614669 QGUCKCDIIFYOKR-CXUHLZMHSA-N 436.533 3.868 0 40 IHAB O=C(CSc1nnnn1Cc1ccccc1)Nc1ccccc1C(=O)Nc1ccccc1 9640867 IBFDFANTNROLTQ-UHFFFAOYSA-N 444.520 3.705 0 40 IHAB O=C(Cn1c(-c2cscn2)nc2ccccc21)NC1CCN(Cc2ccccc2)CC1 9731491 MVPSJESEAHAAGU-UHFFFAOYSA-N 431.565 3.941 0 40 IHAB C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N1CCc2[nH]c3ccccc3c2C1 9901119 UUWNVASHFMXNQN-ZDUSSCGKSA-N 426.314 3.634 0 40 IHAB Cn1ccnc1[C@]1(O)CCCN(c2ncc(-c3cccs3)c(-c3cccnc3)n2)CC1 12221767 QSMPPYVPNDKQAR-QHCPKHFHSA-N 432.553 3.879 0 40 IHAB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)NCCSCc1ccccc1 12569517 GXDQCMDCNDAPHU-UHFFFAOYSA-N 428.558 3.548 0 40 IHAB COc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2nc3ccccc3[nH]2)ccc1C 12750525 IHRXLIXDUIKOSN-UHFFFAOYSA-N 436.493 3.933 0 40 IHAB CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC[C@H]1COc2ccccc2O1 13097085 MIFMNKAIWHBPKQ-IFXJQAMLSA-N 437.323 3.704 0 40 IHAB CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cc1ccccc1F 13141071 ZUYYPXDRCPLHEN-UHFFFAOYSA-N 434.533 3.969 0 40 IHAB COc1cccc(NC(=O)Cn2cnc3c(oc4nc(CC(C)C)c5c(c43)CCC5)c2=O)c1 13691156 KJMSTDMWQPRQBF-UHFFFAOYSA-N 446.507 3.872 0 40 IHAB CCn1c(CC(=O)Nc2ccc(C)cc2)nnc1SCC(=O)Nc1cc(F)ccc1F 13956607 WQOVQUIKPDKDBW-UHFFFAOYSA-N 445.495 3.797 0 40 IHAB O=C(CCCc1c[nH]c2ccccc12)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 14076291 YIFGCNKJABGSQH-UHFFFAOYSA-N 439.581 3.982 0 40 IHAB O=C(Nc1ccccc1)Nc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1 15880535 VFFZBYDBCOHUEZ-UHFFFAOYSA-N 439.516 3.818 0 40 IHAB COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3C(C)C)n2N)cc1OC 16756120 MOUDAGANQOCWIL-UHFFFAOYSA-N 427.530 3.530 0 40 IHAB Cc1ccc2nc3sc(C(=O)N4CCN(c5cccc(Cl)c5)CC4)cc3c(=O)n2c1 17122390 LPUCAVUJIGDFQI-UHFFFAOYSA-N 438.940 3.833 0 40 IHAB O=S(=O)(NCCc1csc2nc(-c3cccs3)nn12)c1ccc2c(c1)CCCC2 17170219 RPTRVHWOVZOHPG-UHFFFAOYSA-N 444.607 3.919 0 40 IHAB CC(C)(C)CC(=O)N1CCO[C@@](Cc2cccc(-c3ccncc3)c2)(C(=O)NC2CC2)C1 19082690 NORZPZUDOHSBQQ-AREMUKBSSA-N 435.568 3.604 0 40 IHAB O=C([C@@H]1CCCO1)N1CC[C@@H](c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)C1 19344189 NSFYTVNBSDWQFC-DOMZBBRYSA-N 436.459 3.972 0 40 IHAB O=C(Cc1ccc(-c2ccccc2)cc1)N1CCc2nc(N3CCCCC3)[nH]c(=O)c2C1 19374132 JCSOBDGDARVBNQ-UHFFFAOYSA-N 428.536 3.555 0 40 IHAB CCc1ncc(CN2CCN(C)C(=O)[C@H](Cc3ccc(-c4ccc(OC)cc4)cc3)C2)cn1 19523424 MDBPYEBVXZDULM-XMMPIXPASA-N 444.579 3.848 0 40 IHAB COc1cccc(CN2CCN(C)C(=O)[C@@H](Cc3ccc(-c4ccncc4)cc3)C2)c1OC 19589499 QNZYZIRSTLVQNI-DEOSSOPVSA-N 445.563 3.899 0 40 IHAB CNC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCCN(Cc2cccc(OC)c2)C1 19591295 QGDHARIZOADQMP-SANMLTNESA-N 430.552 3.723 0 40 IHAB CC(C)NC(=O)c1sc2ccccc2c1[C@H]1CN(S(=O)(=O)C2CCCC2)CCO1 19697552 OXQQIVJJWLJLKJ-QGZVFWFLSA-N 436.599 3.685 0 40 IHAB Cc1nc(C)c(C(=O)N(C)Cc2nc(C)c3c(n2)N(CCc2ccccc2)C(=O)CC3)s1 19698558 PMHPMWPFITUIDN-UHFFFAOYSA-N 449.580 3.652 0 40 IHAB Cc1nc([C@H]2CCCN(Cc3cccc(Oc4ncccn4)c3)C2)nc2c1CCC(=O)N2C 19741486 QUEPRSXUWRUVMH-IBGZPJMESA-N 444.539 3.656 0 40 IHAB CSc1ccc([C@H](C)NC(=O)CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 20014255 ITKYZZNCIQYIAX-AWEZNQCLSA-N 426.991 3.701 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)CCCc2nc3ccccc3s2)c1 22024545 CKAMLKDRCVPSEU-UHFFFAOYSA-N 447.582 3.994 0 40 IHAB COc1ccccc1OC[C@@H](O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 22802826 YJZFPFOXKGDUEG-DEOSSOPVSA-N 432.564 3.842 0 40 IHAB CCCC[C@H](c1nnnn1Cc1ccc(OC)cc1)N1CCN(Cc2ccccc2)CC1 22929442 SBHWSRKBRYGJTH-XMMPIXPASA-N 434.588 3.779 0 40 IHAB O=C(Cc1cc(O)nc(SCc2ccccc2)n1)N1CCN(c2ccccc2F)CC1 23137928 DIZJLUZYORHTAG-UHFFFAOYSA-N 438.528 3.505 0 40 IHAB Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NCC(=O)NCc2ccco2)c1 24180666 GRFHEVGMNKYUOM-UHFFFAOYSA-N 432.455 3.626 0 40 IHAB O=C1c2[nH]nc(-c3ccccc3O)c2[C@H](c2ccc(O)cc2)N1Cc1ccc2c(c1)OCO2 27664164 MBNYXWWYELYPEF-DEOSSOPVSA-N 441.443 3.962 0 40 IHAB CCOc1cc(Br)c(CN2C(=O)N[C@@](C)(c3ccco3)C2=O)cc1OCC 30343505 UNCCEIIQPRMBDY-IBGZPJMESA-N 437.290 3.807 0 40 IHAB O=C(CCC(=O)N1CCC[C@H](c2nnc3ccccn23)C1)c1ccc(Br)cc1 30999769 CEVHTDXBGUOOFR-INIZCTEOSA-N 441.329 3.861 0 40 IHAB CCN(CC)[C@@H](CNC(=O)c1sc2ncn(C)c(=O)c2c1C)c1ccccc1Cl 32316999 PTJALCDDFDOLHX-INIZCTEOSA-N 432.977 3.770 0 40 IHAB O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCCC1)C1CCCCC1 32495794 MGTHVVBRPKXVPZ-UHFFFAOYSA-N 449.617 3.607 0 40 IHAB CCCn1c(CN2CCc3sccc3[C@H]2C)nc2cc(S(=O)(=O)N(C)C)ccc21 32764765 QDNKOTDMAHBVRM-OAHLLOKOSA-N 432.615 3.877 0 40 IHAB O=C(CCc1cnn(-c2ccccc2)c1)Nc1c(C(=O)N2CCOCC2)oc2ccccc12 32808914 YBXIICJPDAAEQA-UHFFFAOYSA-N 444.491 3.662 0 40 IHAB Cc1ccc2c(C)c(CCC(=O)NC3CCN(C(=O)c4ccccc4)CC3)c(=O)oc2c1 32843044 CYNNXRSNUOVLBE-UHFFFAOYSA-N 432.520 3.763 0 40 IHAB O=C(c1ccc(I)cc1)N1CCCN(Cc2cccs2)CC1 32914662 PSFHWUVJLRRSKD-UHFFFAOYSA-N 426.323 3.701 0 40 IHAB CC(C)Oc1ccc(C(=O)NCCn2ncc3c(NCc4ccc(F)cc4)ncnc32)cc1 35590558 LKGFRVUQHQZEQM-UHFFFAOYSA-N 448.502 3.795 0 40 IHAB COc1cc([C@H]2CC(O)=Nc3c2c(C)nn3-c2ccc(Cl)nn2)cc2c1OCCO2 36360470 LJDNGBGKWIUIAC-GFCCVEGCSA-N 427.848 3.528 0 40 IHAB Cc1ccc(-c2cc(C(=O)N3CCN(Cc4ccco4)CC3)c3c(C)nn(C)c3n2)cc1 36613388 DDRMAJPDOWGUKF-UHFFFAOYSA-N 429.524 3.803 0 40 IHAB Cc1cc(S(=O)(=O)N(Cc2cccs2)Cc2ccccc2F)ccc1-n1cnnn1 38663560 PGECPGCYLPPUBG-UHFFFAOYSA-N 443.529 3.562 0 40 IHAB Cn1cnc2c1c(=O)n(CCCSCc1ccccc1Oc1ccccc1)c(=O)n2C 40067150 LNDJDWXMBJGVAX-UHFFFAOYSA-N 436.537 3.550 0 40 IHAB O=C(CCS(=O)(=O)C1CCCC1)Nc1nnc(SCc2ccc(F)cc2)s1 40128995 SLSQBYDUTKHBEU-UHFFFAOYSA-N 429.564 3.656 0 40 IHAB Cc1nn(-c2ccc3nnc(C)n3n2)c2c1[C@@H](c1ccccc1Br)CC(O)=N2 40285734 GPQIVXSPNCUELF-CYBMUJFWSA-N 438.289 3.813 0 40 IHAB COc1ccccc1C(=O)Nc1cc(C(=O)OCc2cc(=O)n3oc(C)cc3n2)ccc1C 41089570 ULNLBFHCOHBZKO-UHFFFAOYSA-N 447.447 3.522 0 40 IHAB COc1ccc(CNC(=O)c2nnn(-c3ccc(C)c(C)c3)c2-c2cccnc2)cc1OC 49003670 SJPUGXVOBYEDRA-UHFFFAOYSA-N 443.507 3.893 0 40 IHAB O=C(Nc1ccc2c(c1)OCCO2)c1c(O)c2sccc2n(Cc2ccccc2)c1=O 49409597 OEXQCMOMIMRPQG-UHFFFAOYSA-N 434.473 3.840 0 40 IHAB COC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1c(C)c2cc3c(C)coc3c(C)c2oc1=O 49543374 HUGAHDUKVPAYPY-NRFANRHFSA-N 447.487 3.907 0 40 IHAB biogenic CC(=O)Nc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2cccc(C)c2C)nc1O 64774685 FTMKPFXBOIDJSK-AWEZNQCLSA-N 437.525 3.939 0 40 IHAB Cc1cc(-c2cnc3cc(C)nn3c2[C@H]2CCCN(CC(=O)N3CCCC[C@@H]3C)C2)on1 72342822 NVPJGCQMTSASER-OALUTQOASA-N 436.560 3.582 0 40 IHAB O=c1occ(CN2CCCCCC2)c(O)c1CN1CCN(C/C=C/c2ccccc2)CC1 79495607 GZIBIGZZPBQSPR-DHZHZOJOSA-N 437.584 3.552 0 40 IHAB Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)c2nc3n(c2n1)CCCCC3 89582786 FXPDAMDGPZYQGH-GOSISDBHSA-N 437.931 3.655 0 40 IHAB COC(=O)[C@H]1c2ccccc2CCN1CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 95405165 NLGQBPSPAOZWAG-WMZHIEFXSA-N 449.532 3.791 0 40 IHAB CC(C)c1noc(CCNC(=O)[C@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)n1 95988881 VSDPUOHJGSPKHG-LIRRHRJNSA-N 436.915 3.642 0 40 IHAB CN1C(=O)C[C@@H](CNC(=O)c2cc(Br)cc(Cl)c2O)[C@@H]1c1ccccc1 96003278 FCEAZKIXXZXBOX-SJCJKPOMSA-N 437.721 3.758 0 40 IHAB Cc1ncsc1-c1nnc([C@H]2CC[C@H](CNC(=O)c3ccc4c(c3)OCO4)CC2)o1 100156452 ICTFPQSWILQKFJ-OKILXGFUSA-N 426.498 3.934 0 40 IHAB COc1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)cc2)cc1 113936751 MWYVUCSBNDDRGB-UHFFFAOYSA-N 444.484 3.677 0 40 IHAB CC[C@@H](NC(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O)c1ccc(OC)cc1 113961333 SMOQSYUEULAPTO-OAQYLSRUSA-N 434.558 3.518 0 40 IHAB CCOc1ccccc1N(CCCC(=O)N[C@@H](C)c1ccc(OC)cc1)S(C)(=O)=O 113962602 FYJAIAIIFCGHSW-KRWDZBQOSA-N 434.558 3.518 0 40 IHAB CCOC(=O)c1cccc(NC(=O)[C@@H](CC)N(c2ccc(C)cc2)S(C)(=O)=O)c1C 219099355 RCVBBFCRZSZIMC-HXUWFJFHSA-N 432.542 3.663 0 40 IHAB COc1ccc(-c2noc(CN(C)C(=O)[C@H]3CCCN(Cc4ccc(F)cc4)C3)n2)cc1 222601365 YFORRCQAVOMWHD-IBGZPJMESA-N 438.503 3.755 0 40 IHAB CCOc1ccc(N([C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)S(C)(=O)=O)cc1 222921552 ZSAYJSQTFDMVIT-ROUUACIJSA-N 444.597 3.996 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1nnc(SCC(C)C)s1 222992796 HEZLCMWKCSRSNK-UHFFFAOYSA-N 440.616 3.631 0 40 IHAB CCCC(=O)N(Cc1ccc(OC)cc1)[C@H](Cc1ccccc1)C(=O)NCCCOCC 223269640 LAIBYUQLCYQNBX-XMMPIXPASA-N 440.584 3.978 0 40 IHAB CC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccc(C(C)C)cc3)no2)cc1 223585892 IINQMLBPEHWWOR-UHFFFAOYSA-N 428.514 3.639 0 40 IHAB COc1ccccc1N(CC(=O)NCC1=CCCCC1)S(=O)(=O)c1ccc(C)cc1 223800653 OPXXABRZQCQPBE-UHFFFAOYSA-N 428.554 3.816 0 40 IHAB CCOC(=O)c1c(NS(=O)(=O)c2cc(C(=O)OC)ccc2C)sc2c1CCCC2 223869587 CQUNULBLEDCNTI-UHFFFAOYSA-N 437.539 3.699 0 40 IHAB COc1ccc(CNC(=S)Nc2ccc(N3CCN(c4ccccc4)CC3)nc2)cc1 223927068 UTLNNVBBSOXUAO-UHFFFAOYSA-N 433.581 3.903 0 40 IHAB O=C(NCCOc1ccccc1Cl)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 224103559 BUOBHYUTUREDMH-UHFFFAOYSA-N 443.352 3.587 0 40 IHAB Cc1ccc(N(CCCC(=O)NCCOc2ccc(Cl)cc2)S(C)(=O)=O)c(C)c1 224646409 CCQZUIZOQHGUKT-UHFFFAOYSA-N 438.977 3.698 0 40 IHAB O=C(COc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1)N1CCOCC1 225547633 HBJBGYIFZUIKFJ-UHFFFAOYSA-N 440.515 3.904 0 40 IHAB CS(=O)(=O)N(CC(=O)NCCSC1CCCC1)c1cc(Cl)ccc1Cl 225675726 ULSVDOCEQZWRJB-UHFFFAOYSA-N 425.403 3.551 0 40 IHAB Cc1cc(C)nc(Nc2ccccc2C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)n1 225916609 KQPNBJPBUCMWNI-UHFFFAOYSA-N 439.541 3.648 0 40 IHAB Cc1cccc([C@]2(C(=O)N(C)C)CCCN2Cc2cccc(OCc3cccnc3)c2)n1 257293638 QQMWMBJNHWVNCN-SANMLTNESA-N 430.552 3.944 0 40 IHAB COc1ccc(OCC(=O)NC[C@H]2CC[C@H](c3nn(C)cc3-c3cc(C)no3)CC2)cc1 257334518 YGHAPYTZKAJGMT-IYARVYRRSA-N 438.528 3.861 0 40 IHAB COc1ccc(CN2CCC3(CC2)CN(C)C(=O)c2cnc(-c4ccccc4)nc23)cc1 306137763 RFKSQMDVKMKUIS-UHFFFAOYSA-N 428.536 3.772 0 40 IHAB CC(C)NC(=O)c1nnc2n1C[C@H]1N(Cc3ccsc3)CC[C@]1(c1ccccc1)CC2 306139476 SYFGYOLRUYMCCE-YKSBVNFPSA-N 435.597 3.637 0 40 IHAB COc1ccc(CCNC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1 408880506 JMGHREXRHAYPNO-UHFFFAOYSA-N 429.564 3.990 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCSC(C)(C)C)c2ccc(F)cc2)cc1 408927511 WIGNOMRVXRSBOP-UHFFFAOYSA-N 438.590 3.977 0 40 IHAB CCn1c(CC(=O)Nc2ccc(C)cc2)nnc1SCC(=O)Nc1cc(F)ccc1C 409329157 DDIZLWGZEIFNAJ-UHFFFAOYSA-N 441.532 3.966 0 40 IHAB O=C(NCCN1c2ccccc2N(C2CC2)S1(=O)=O)Nc1ccccc1C(F)(F)F 585147774 ZUDKAQNHSCCVIE-UHFFFAOYSA-N 440.447 3.561 0 40 IHAB Cc1cc(OCC2(O)CCN(CC(=O)NCc3ccc(F)cc3)CC2)cc(C)c1Cl 585273551 PIYUAWOAVQUTGE-UHFFFAOYSA-N 434.939 3.618 0 40 IHAB CCc1noc(CCC(=O)N2CCC[C@@](O)(COc3cc(C)c(Cl)c(C)c3)CC2)n1 2037912757 YTPBEMNDTMYRMC-QFIPXVFZSA-N 435.952 3.657 0 40 IHAB CCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc12 2153195 LRKOUHQRTLNNGO-JXFKEZNVSA-N 437.492 3.633 0 40 IHAB biogenic CCN(CC)C1=N[C@](C(=O)OC)(C(F)(F)F)N=C(c2ccc(Cl)cc2Cl)O1 2349415 XWFHKRLVJYFUTE-OAHLLOKOSA-N 426.222 3.900 0 40 IHAB O=C1CCC(=O)N1c1nc2n(n1)[C@H](c1ccc(F)cc1)C[C@H](c1ccc(Cl)cc1)N2 2407055 YPYGXEZQTLACRU-SJORKVTESA-N 425.851 3.870 0 40 IHAB Cc1cc(NC(=O)CSc2nnc(-c3ccc4c(c3)OCO4)n2-c2ccccc2)no1 2620680 IYWMWLRCCNDXQD-UHFFFAOYSA-N 435.465 3.690 0 40 IHAB Cc1noc(C)c1COC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 2658538 XPZLWVLPDJRCPH-UHFFFAOYSA-N 426.494 3.790 0 40 IHAB Cc1cc(C(=O)COC(=O)[C@@H](NC(=O)c2ccco2)C(C)C)c(C)n1Cc1ccco1 2664760 YKHPCJXAKPXPQQ-NRFANRHFSA-N 426.469 3.520 0 40 IHAB Cc1cccc(O[C@H](C)C(=O)NCCN2C(=O)S/C(=C\c3ccccc3F)C2=O)c1 3524281 UZPXUCOYYGFUAQ-JPVKTXQWSA-N 428.485 3.754 0 40 IHAB COc1ccc(C(=O)Nc2nc3c(C)cccc3s2)cc1S(=O)(=O)N1CCCC1 3524354 LKSBXTJMOVNOBE-UHFFFAOYSA-N 431.539 3.650 0 40 IHAB O=C(Nc1ccccc1)N(Cc1ccc2c(c1)OCO2)Cc1nc2ccccc2c(=O)[nH]1 8582804 KVVREVYAYPEWMF-UHFFFAOYSA-N 428.448 3.886 0 40 IHAB CCOC(=O)C1=C(CSc2ncnc3ccccc23)NC(=O)N[C@H]1c1cccs1 9119928 JJXPZSRYNJHOBG-KRWDZBQOSA-N 426.523 3.655 0 40 IHAB O=C1CCCN1c1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 9255393 BIAVNQQUQKILKS-HXUWFJFHSA-N 442.537 3.501 0 40 IHAB COc1ccc2cc(CCNC(=S)Nc3cccc(Br)c3)c(=O)[nH]c2c1 9278782 QAUSVBYFUZKXJE-UHFFFAOYSA-N 432.343 3.828 0 40 IHAB COC(=O)Cn1cnc2c(sc3nc(-c4ccccc4)c4c(c32)CC(C)(C)OC4)c1=O 9423849 QNTZBGUOMMXSMH-UHFFFAOYSA-N 435.505 3.698 0 40 IHAB CCN(CC(=O)NCc1cccs1)C(=O)COc1ccc(C(=O)c2ccccc2)cc1 9507140 XRIXUGVFAUQZRR-UHFFFAOYSA-N 436.533 3.523 0 40 IHAB CCOc1ccc(CN(C)CC(=O)N2c3ccccc3NC(=O)C23CCCC3)cc1OC 9512203 DXERPPYBIFOJQI-UHFFFAOYSA-N 437.540 3.824 0 40 IHAB COC(=O)c1ccc(CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)[nH]2)cc1 9521435 DKABYDKUBZCQPM-UHFFFAOYSA-N 426.885 3.841 0 40 IHAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(S(=O)(=O)c1c(C)noc1C)CC2 9593026 IQCBWVZZYQBBDK-OAQYLSRUSA-N 428.510 3.645 0 40 IHAB CN(C)CCN(C(=O)c1ccccc1S(C)(=O)=O)c1nc2c(Cl)cccc2s1 9707958 XXTUBYARBDVMPV-UHFFFAOYSA-N 437.974 3.562 0 40 IHAB COc1ccc(-c2noc(CN3C(=O)N[C@@](C)(c4ccc5ccccc5c4)C3=O)n2)cc1 9722941 XZXHFNRHEYLZFW-DEOSSOPVSA-N 428.448 3.866 0 40 IHAB CCOc1cc(C(=O)Nc2ccc3c(c2)C(=O)N(CC)CCO3)cc(OCC)c1OCC 9828138 MPHUZVFPYVSDOL-UHFFFAOYSA-N 442.512 3.990 0 40 IHAB CCCc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)c2ccc3c(c2)OCO3)n1 11854730 OBTMCNARGMGOKL-UHFFFAOYSA-N 449.492 3.618 0 40 IHAB CN(C)c1ncc(-c2ccccn2)c(CN(Cc2ccccc2)C(=O)C[C@@H]2CCCO2)n1 12089225 CMSPRXGUDDGWHY-FQEVSTJZSA-N 431.540 3.703 0 40 IHAB CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)N1[C@@H](C)CCC[C@@H]1C 12565974 IIMPPFQWKNZRMI-MPGHIAIKSA-N 440.993 3.524 0 40 IHAB O=C(CN1CCC(C(=O)N2CCCCC2)CC1)Nc1ccc(OCc2ccccc2)cc1 12768365 KXOBLLCUHQKHKA-UHFFFAOYSA-N 435.568 3.929 0 40 IHAB CCN(CC)Cc1ccccc1CNC(=O)CCn1cnc2sc(C)c(C)c2c1=O 12775687 KHHJUZVPJDOUQS-UHFFFAOYSA-N 426.586 3.623 0 40 IHAB CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2ccc(Cl)cc2F)cc1 12804990 NUVYWXPOTKZLOK-UHFFFAOYSA-N 426.897 3.721 0 40 IHAB C/C=C/c1ccc(OC[C@H](O)Cn2nnc(-c3ccc(Br)cc3)n2)c(OC)c1 12922687 IUBYGECYRIHMIN-REMYHPOOSA-N 445.317 3.584 0 40 IHAB Cc1ccccc1CN1CCN(C(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)CC1 12974360 VXUPIZSCIRYMFD-UHFFFAOYSA-N 429.446 3.553 0 40 IHAB O=C(Nn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O)c1ccccc1C(F)(F)F 13036697 YNTIJDAIUYZHHW-UHFFFAOYSA-N 433.777 3.638 0 40 IHAB O=C(/C=C/c1ccc2c(c1)OCCCO2)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 13101562 LGPHTHRYCIVCOV-PKNBQFBNSA-N 442.537 3.674 0 40 IHAB CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N(C)Cc2c(F)cccc2Cl)C1=O 13129850 LYOOCPLGHJKLEG-JOCHJYFZSA-N 431.895 3.685 0 40 IHAB CC(C)N(Cc1ccccc1)C(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 13146473 MUVGSMKORNZAJY-UHFFFAOYSA-N 433.537 3.638 0 40 IHAB CCOc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 13566854 KEFBRXMCZUKZAC-GOSISDBHSA-N 432.476 3.773 0 40 IHAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)CSc1nnnn1C[C@H]1CCCO1 14182930 RSVRYJMZWZZAAT-MRXNPFEDSA-N 447.948 3.516 0 40 IHAB COc1ccc([C@@H](CNC(=O)c2ccc(C3SCCS3)cc2)N2CCOCC2)cc1 14183941 HRBFKEUJQNPPLB-OAQYLSRUSA-N 444.622 3.977 0 40 IHAB Cc1c(C(=O)OCc2nc(-c3ccc(Cl)cc3)no2)sc2nc3n(c(=O)c12)CCC3 14184350 SANPCSCYEOMKRD-UHFFFAOYSA-N 442.884 3.773 0 40 IHAB O=C(CSc1nnc(/C=C/c2ccc(F)cc2)[nH]1)c1c[nH]c(C(=O)N2CCCC2)c1 14898046 WLCUWKGBPUUKJY-VMPITWQZSA-N 425.489 3.653 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc(OC)cc(OC)c3)cc2)cc1 15439175 GEWUODNYKQPPSR-UHFFFAOYSA-N 442.493 3.766 0 40 IHAB COc1ccc(C(=O)Oc2cccc3cccnc23)cc1S(=O)(=O)NC1CCCC1 15568885 HCFJWWGRYGYCKH-UHFFFAOYSA-N 426.494 3.684 0 40 IHAB O=C(NC1CCCCC1)[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccnc(N2CCCC2)n1 19372466 FADPQCMFNKXYGZ-GOTSBHOMSA-N 433.600 3.741 0 40 IHAB CC(C)NC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)c2cnccn2)C1 19449508 GZUAANFDQJTREX-DEOSSOPVSA-N 434.565 3.805 0 40 IHAB COc1ccc(CC(=O)N2CCC(c3cc(C(=O)N[C@H](C)c4ccncc4)on3)CC2)cc1 19459786 WDFYASRFOQFKHE-QGZVFWFLSA-N 448.523 3.518 0 40 IHAB CCOC(=O)[C@@]1(Cc2cc(-c3ccccc3C)no2)CCCN(C(=O)[C@H]2CCCO2)C1 19529930 QHPNOKLNXIJLCH-ZJSXRUAMSA-N 426.513 3.543 0 40 IHAB COc1ccc(OC)c([C@@H]2CN(Cc3ccccc3)C[C@H]2NC(=O)c2cc(C3CC3)on2)c1 19552627 WTUNFRCBETXZAO-JTHBVZDNSA-N 447.535 3.967 0 40 IHAB Cc1c(C(=O)NCCn2ncc(-c3cnccn3)c2-c2cccs2)oc2c1C(=O)CCC2 19565248 CDNSVMXEEOHYFG-UHFFFAOYSA-N 447.520 3.919 0 40 IHAB CNc1cc([C@H]2CCCN(C(=O)Cc3ccc(OC)c(C)c3)C2)nc(-c2ccncc2)n1 19571101 OBFBZSVNXMECLK-FQEVSTJZSA-N 431.540 3.846 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)N[C@@H]2CCCc3ccccc32)CC1 20018230 QORQQJNCGUUQKF-OAQYLSRUSA-N 442.581 3.598 0 40 IHAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccccc1NS(=O)(=O)c1ccccc1 20108063 XGKNOMYZGWTFSM-UHFFFAOYSA-N 435.505 3.867 0 40 IHAB Cc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)cc1 20487314 IOMDNBOBSWOVTH-UHFFFAOYSA-N 434.989 3.849 0 40 IHAB COc1ccccc1[C@H](c1nnnn1C1CCCC1)N1CCN(Cc2ccccc2)CC1 22928645 BRKSKUNUZAAVRG-XMMPIXPASA-N 432.572 3.704 0 40 IHAB O=C(NCCc1ccccc1)c1ccccc1NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 24871578 RDEMVTZFMSMIHI-QFIPXVFZSA-N 441.531 3.646 0 40 IHAB Cn1c(CN2CCOCC2)nc2cc(NC(=O)COc3ccccc3C(C)(C)C)ccc21 26121638 PCJGXTUNIGHQOX-UHFFFAOYSA-N 436.556 3.721 0 40 IHAB C[C@H](Sc1nccc(C(F)(F)F)n1)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 26480914 GJRJYKCLNHHVNY-DJCSNXPJSA-N 428.480 3.771 0 40 IHAB Cc1cc(NC(=O)[C@@H](C)SCC(=O)NCc2ccccc2COc2ccccc2)no1 30187146 DWQDOYORZXIQRJ-QGZVFWFLSA-N 439.537 3.939 0 40 IHAB O=C(NCCc1nc(-c2ccccc2)no1)c1cc(=O)c2cc(Br)ccc2o1 32593738 FKSRNKGXPRMWLP-UHFFFAOYSA-N 440.253 3.578 0 40 IHAB O=C(/C=C/c1ccc2c(c1)OCCCO2)OCc1cc(=O)n2c(n1)sc1ccccc12 32721599 BCAQVGCYUZPRPM-VQHVLOKHSA-N 434.473 3.827 0 40 IHAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)c1 32740879 VOLDOSOHAADHTP-JOCHJYFZSA-N 425.485 3.502 0 40 IHAB O=C(CCn1c(=O)oc2ccccc21)OCc1csc(COc2ccc(F)cc2)n1 32776284 IGSZYFFHDUNLTN-UHFFFAOYSA-N 428.441 3.903 0 40 IHAB CC1CCN([C@H](CNC(=O)COc2ccc3c(c2)CCC(=O)N3)c2cccs2)CC1 32907934 HVLNAGHARSTZGP-HXUWFJFHSA-N 427.570 3.601 0 40 IHAB Cc1cc2cc(CN(Cc3ccc(F)cc3)C(=O)c3cnccn3)c3nnnn3c2cc1C 35310759 GLOOLJZAKAYMRF-UHFFFAOYSA-N 441.470 3.666 0 40 IHAB CCC(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2cccc(C)c2C)nc1O 35378059 QYYXLDFCZUOBMC-UHFFFAOYSA-N 437.525 3.940 0 40 IHAB Cc1ccc(C(=O)[C@@H]2[C@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@@H]3[C@H]3CCCN23)cc1 35895194 OCUFAWVLMNSZOB-ZRNYENFQSA-N 442.437 3.849 0 40 IHAB CC(C)n1cnc2nc(COc3ccc(Cl)cc3NC(=O)c3ccco3)cc(=O)n21 41089773 UTPGGHFZDGOULF-UHFFFAOYSA-N 427.848 3.550 0 40 IHAB O=C(NCC(F)(F)F)[C@H]1CCCN1C(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 58173467 AFJUQNYKGURVSW-QGZVFWFLSA-N 441.400 3.907 0 40 IHAB COc1ccc([C@H](NC(=O)[C@H](C)NC(=O)c2n[nH]c3ccccc23)c2ccccc2)cc1 58251614 UUJYZWIGAVDIOR-KSFYIVLOSA-N 428.492 3.596 0 40 IHAB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCNc1ncccc1C(F)(F)F 59352669 MXPDRNXAKLTSAO-INIZCTEOSA-N 442.869 3.737 0 40 IHAB CC[C@H](C)n1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nc2cc(C)[nH]c2c1=O 67239108 CKZMFTVFIXZIOF-ZDUSSCGKSA-N 428.514 3.506 0 40 IHAB CNc1cc([C@H]2CC(=O)N(Cc3ccccc3)C2)nc(CN(C)Cc2cccc(OC)c2)n1 72391883 FPPJIMUGQBXDTE-NRFANRHFSA-N 445.567 3.675 0 40 IHAB C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)c1ccc(S(C)(=O)=O)cc1S(C)(=O)=O 78988817 HRMFKHOGRJSIJK-UONOGXRCSA-N 429.991 3.775 0 40 IHAB O=C(NCC1CCN(C(=O)/C=C/c2ccccc2OC(F)(F)F)CC1)c1ccccn1 89808227 LUHBTOOAVAXXHB-CMDGGOBGSA-N 433.430 3.662 0 40 IHAB COc1cccc2[nH]cc([C@@H](CC(=O)N[C@H]3CCS(=O)(=O)C3)c3ccc(Cl)cc3)c12 95479861 POHHEPQUUUQVCE-IRXDYDNUSA-N 446.956 3.655 0 40 IHAB COc1cccc(CCNC(=O)c2cc3c(c4ccccc4n3C)n2-c2ncccn2)c1 96146335 ZJZMLCREGDXFCX-UHFFFAOYSA-N 425.492 3.893 0 40 IHAB COc1c(C[C@@H]2CC(c3sc4nc(C)cc(C)c4c3N)=NO2)cc2c(c1OC)OCO2 96335743 NPWMPCIEXGLKLJ-CYBMUJFWSA-N 441.509 3.977 0 40 IHAB COc1ccc(C(=O)[C@@H]2C(c3ccc(F)cc3)=NO[C@@]23C(=O)Nc2ccccc23)cc1OC 102899006 KQDWRQLIGNCFEK-SQJMNOBHSA-N 446.434 3.924 0 40 IHAB CCOc1ccc([C@H](C)NC(=O)[C@H](C)N(c2ccc(OCC)cc2)S(C)(=O)=O)cc1 216427490 NFIISCFEYWVQAX-IRXDYDNUSA-N 434.558 3.516 0 40 IHAB Cc1ccc(N(CCCC(=O)NCCSCc2ccccc2F)S(C)(=O)=O)cc1 219626265 QNZMRMDXCVRYDG-UHFFFAOYSA-N 438.590 3.730 0 40 IHAB CC(C)Oc1cccc(CNC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)c1 219702226 GQXCHTSLTOOAAS-UHFFFAOYSA-N 426.538 3.564 0 40 IHAB CCc1ccc(OCC(=O)N(Cc2ccc(OC)cc2)[C@@H](CC)C(=O)NC(C)C)cc1 222886644 RSKKTPXJNFRVJN-QHCPKHFHSA-N 426.557 3.968 0 40 IHAB CC[C@@H](C(=O)NCCOc1cccc2ccccc12)N(c1cccc(C)c1)S(C)(=O)=O 223563266 VZQRJVFPVFYAKW-QFIPXVFZSA-N 440.565 3.888 0 40 IHAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1cc(OC)cc(OC)c1 223595341 DGTXCTGMMICAPI-HSZRJFAPSA-N 442.556 3.806 0 40 IHAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCOc1ccccc1C(C)C 223832401 AILPRXSBFYRCEI-OAQYLSRUSA-N 448.585 3.558 0 40 IHAB CCc1ccc(OCCNC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2C)cc1 224102753 XWLNFIHDKZHKFK-UHFFFAOYSA-N 444.597 3.787 0 40 IHAB CC(C)(C)c1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 224352886 ZDIVEFHDIJUHBE-UHFFFAOYSA-N 444.597 3.968 0 40 IHAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NCc3ccc(F)cc3)cc2)cc1 224440983 LXVLRJYEMNTXOA-UHFFFAOYSA-N 442.512 3.585 0 40 IHAB COC(=O)c1ccc(Cl)c(N(C)S(=O)(=O)c2ccc(OC)c(Br)c2)c1 224886257 VSLLVOCBYYPVRY-UHFFFAOYSA-N 448.722 3.723 0 40 IHAB CCC1(CC)C[C@@H](NC(=O)CN(C)S(=O)(=O)c2ccc(OC)cc2)c2ccccc2O1 225016575 MICGJWHKSMMPHZ-HXUWFJFHSA-N 446.569 3.515 0 40 IHAB CC[C@@H](C(=O)N[C@@H](C)c1cc(OC)ccc1OC)N(c1ccc(C)c(C)c1)S(C)(=O)=O 225629938 QZSAKLMGKSVLCN-UWJYYQICSA-N 448.585 3.743 0 40 IHAB C[C@@H]1CCCN(c2cc(Oc3ccccc3)nc(NC(=S)NC[C@@H]3CCCO3)n2)C1 225908483 OMYUXQFWZQPFAV-AEFFLSMTSA-N 427.574 3.971 0 40 IHAB Cc1nc(-c2cccc(NC(=O)COc3ccc(S(=O)(=O)NC(C)C)cc3)c2)cs1 226087736 FVLSJFDMCISIGB-UHFFFAOYSA-N 445.566 3.823 0 40 IHAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCN(CC(=O)NCCc4ccccc4)C3)cc2N1 253608802 QSHQDKWTXMNNIN-NLWGTHIKSA-N 449.521 3.729 0 40 IHAB CNc1nc(C)c(C(=O)N2CCO[C@H](c3cc(Nc4nc(C)cs4)cc(C)n3)C2)s1 257242917 IESLRTNHOTZKDJ-INIZCTEOSA-N 444.586 3.919 0 40 IHAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(Cl)cc3)C2)c(C)c1 408555921 XQPADAYRPMOLHZ-LJQANCHMSA-N 434.989 3.982 0 40 IHAB CCOc1cc(/C=C2/NC(=O)NC2=O)c(Br)cc1OCc1ccccc1F 409049157 VDEZDGKEPOGMMC-VIZOYTHASA-N 435.249 3.746 0 40 IHAB Cc1cccc(-c2nnc(SCC(=O)Nc3sc4c(c3C(N)=O)CCCC4)n2C)c1 409132767 KUIUHNOKVWLIDU-UHFFFAOYSA-N 441.582 3.561 0 40 IHAB Cc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)n1 409165641 AOOABEPDMXSWIE-OQLLNIDSSA-N 432.299 3.828 0 40 IHAB Cc1c(C(=O)N2CCN(c3ccc(F)cn3)CC2)cnn1-c1cccc(C(F)(F)F)c1 538250250 GFJMFOVZNSVULR-UHFFFAOYSA-N 433.409 3.696 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CC[C@H](N4CCCC4)[C@H]3C)c2)cc1F 561754524 QFQMHPYRJWDWDY-VGSWGCGISA-N 445.560 3.634 0 40 IHAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1c2c(nn1[C@@H]1CCS(=O)(=O)C1)CCC2 585188682 DKIGIXSXIZWSEP-LLVKDONJSA-N 447.866 3.656 0 40 IHAB COCC(=O)N1CCCCCCCN(Cc2ccncc2)Cc2cc(C(=O)O)ccc21 643583177 VQDYQOWEVXOQNW-UHFFFAOYSA-N 425.529 3.726 0 40 IHAB COC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)C(C)(C)Cc1ccc(Br)c(C)c1 1180100290 WHPDKPUUWZRJKJ-MRXNPFEDSA-N 448.361 3.961 0 40 IHAB Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Oc2ccc3c(C)cc(=O)oc3c2)cc1 627670 DOOMGAMTFDRVME-FQEVSTJZSA-N 443.521 3.708 0 40 IHAB COc1ccc(C(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1Br 816329 WQRSWQUEWIYYKQ-OAHLLOKOSA-N 446.297 3.545 0 40 IHAB CCOC(=O)C1=C(N)Oc2cc(C)oc(=O)c2[C@@H]1c1ccc(OCc2ccccc2)cc1 2193596 GFWXYXJMEHIBRN-FQEVSTJZSA-N 433.460 3.785 0 40 IHAB Cc1ccc(N2C(=O)[C@@](NC(=O)c3ccc(Cl)cc3)(C(F)(F)F)N=C2O)cc1C 2264489 VZPBVPGWLMJGJU-SFHVURJKSA-N 425.794 3.906 0 40 IHAB O=C(c1ccco1)N1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)CC1 3373824 AEFJSRTWSTUOIS-UHFFFAOYSA-N 432.505 3.792 0 40 IHAB CCCn1c(=O)c2ccccc2n2c(SCC(=O)c3ccc(NC(=O)CC)cc3)nnc12 3443150 JSWDPSVFPQSIIP-UHFFFAOYSA-N 449.536 3.778 0 40 IHAB O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)NC2CCCCC2)C1)C1CCCCC1 4236328 UXZURMJOZQXSRP-PKOBYXMFSA-N 440.588 3.829 0 40 IHAB biogenic,in-vitro Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)Nc3nc4ccccc4[nH]3)CC2)c1C 6079819 NURDEGOEYPLRIV-UHFFFAOYSA-N 440.569 3.836 0 40 IHAB COc1ccc(OC)c([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCN(C)C)c1 8601379 OMTXJQUPLRWQGK-JOCHJYFZSA-N 436.508 3.616 0 40 IHAB Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)N(C)CC(=O)Nc1ccccc1Cl 8825675 NTSWLPUKPTWTIO-UHFFFAOYSA-N 441.871 3.557 0 40 IHAB COc1ccc2nc(C[C@@H]3[C@H](O)c4ccccc4S(=O)(=O)N3CC(C)C)ccc2c1 8993296 STZZSGYDVYDBBB-FYYLOGMGSA-N 426.538 3.548 0 40 IHAB COc1ccc(NC(=O)CSc2ccc3nnc(-c4ccc(C)cc4)n3n2)c(OC)c1 9415078 RWHCRUNDYAANDW-UHFFFAOYSA-N 435.509 3.848 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(OC)ccc(C)c3s2)cc1 9427467 HVAAREBRLKUWCJ-UHFFFAOYSA-N 433.555 3.896 0 40 IHAB Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)S(=O)(=O)c2ccc(Cl)s2)c1C 9487392 VRDZOQQLRHKNOJ-OAHLLOKOSA-N 442.990 3.827 0 40 IHAB CC(=O)Nc1cccc(NC(=O)c2cccn(Cc3ccc(Br)cc3)c2=O)c1 9547924 JPGPDXFRJUZKBH-UHFFFAOYSA-N 440.297 3.870 0 40 IHAB COc1cc(OC)cc(C(=O)Nc2nc(CC(=O)Nc3ccccc3OC)cs2)c1 9659233 JIDDPORVIMIBON-UHFFFAOYSA-N 427.482 3.602 0 40 IHAB Cc1ccc(C)c(-n2ccnc2SCC(=O)Nc2sc3c(c2C(N)=O)CCC3)c1 9910374 YXGOFQBWRSPHES-UHFFFAOYSA-N 426.567 3.869 0 40 IHAB CCOc1ccc(NC(=O)Cn2c(=O)n(-c3ccc(Cl)cc3)c(=O)c3ccccc32)cc1 10156751 QCZJTVWOIJTXMN-UHFFFAOYSA-N 449.894 3.843 0 40 IHAB O=C(Cn1nc(-c2ccc(Br)cc2)ccc1=O)Nc1nc2ccccc2s1 12494993 XHVHSAVFQGDJDX-UHFFFAOYSA-N 441.310 3.921 0 40 IHAB CC(C)COc1cccc(C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)c1 12522662 IGAOATDACAFBID-UHFFFAOYSA-N 439.556 3.647 0 40 IHAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)COc1ccccc1Cc1ccccc1 12578772 OMEPIASQLSQUIS-UHFFFAOYSA-N 434.511 3.960 0 40 IHAB CCn1c(=O)c2ccccc2n(CC(=O)N2CCCC[C@H]2c2nc3ccccc3s2)c1=O 12677321 TWYABRFPMGVMSJ-IBGZPJMESA-N 448.548 3.547 0 40 IHAB C[C@@H](NC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)c1cccc2ccccc12 12731228 WFLOSUDEVSEJPI-YLJYHZDGSA-N 438.549 3.788 0 40 IHAB Cc1cc(C(=O)Nc2cc(S(C)(=O)=O)ccc2F)c2cnn(Cc3cccs3)c2n1 12880488 TTWXAMFRKLSZPR-UHFFFAOYSA-N 444.513 3.644 0 40 IHAB CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc(Oc3cc(C)nc(C)n3)cc2)cc1 12888767 SYEGKOGIZSEBAW-UHFFFAOYSA-N 426.498 3.669 0 40 IHAB COc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2cccnc2)[C@@H](c2ccc(F)cc2)CN1C 13570113 XVVLECVLYLGIIY-RZTXVSJASA-N 431.467 3.605 0 40 IHAB COc1ccc([C@H](NC(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)c2nccn2C)cc1 16476414 LSNUDLYTTLOCRL-VWNXMTODSA-N 430.508 3.599 0 40 IHAB NC(=O)C1CCN(c2ccc3cccc(OCC(=O)Nc4ccc(Cl)cc4)c3n2)CC1 17170577 XYJPFWIWMIUSSM-UHFFFAOYSA-N 438.915 3.607 0 40 IHAB CCc1ccc(CN(Cc2cccnc2)C(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 18890657 KJRMECBDBVHDDI-GOTSBHOMSA-N 433.552 3.738 0 40 IHAB COc1cc(CN2CCC(c3nc(O)cc(-c4nccs4)n3)CC2)cc(OC)c1OC 19549707 IUDMKGPDISPIFU-UHFFFAOYSA-N 442.541 3.711 0 40 IHAB Cc1cc(C)nc(N2CC[C@@H](c3nc(C)c4c(n3)N(Cc3cccc(F)c3)C(=O)CC4)C2)n1 19738841 PWDPCJYCEWGINM-LJQANCHMSA-N 446.530 3.804 0 40 IHAB Cc1nc([C@@H]2CCCN2C(=O)c2ccccc2)nc2c1CC(=O)N2CCc1ccccc1 19739647 LPLCFGJTCHXGSM-QFIPXVFZSA-N 426.520 3.894 0 40 IHAB Cc1nn(C)cc1CN1CCC[C@@H]1c1nc(C)c2c(n1)N(Cc1ccccc1)C(=O)CC2 19740647 YIBZGEAPZUXCIL-JOCHJYFZSA-N 430.556 3.643 0 40 IHAB Cc1nc([C@@H]2CCCN2C(=O)CCc2ccc(N(C)C)cc2)ncc1C(=O)N1CCCCC1 19756096 DICDYSFSLBGLOH-QHCPKHFHSA-N 449.599 3.773 0 40 IHAB COc1cccc2cc(CN3CC[C@@H](c4cc(C(=O)NCCO)c5ccccc5n4)C3)oc12 19761071 VVSNXPRXQPFYCR-GOSISDBHSA-N 445.519 3.701 0 40 IHAB CCOC(=O)[C@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@@H]1c1ccc(Cl)cc1 19818322 PKJJSRDTLWBESI-WOJBJXKFSA-N 441.915 3.842 0 40 IHAB COc1cc(C(=O)NC2CCCCC2)c(N(Cc2ccccc2)S(C)(=O)=O)cc1OC 22253250 ZHVHNTDRUBSHQH-UHFFFAOYSA-N 446.569 3.733 0 40 IHAB Cc1ccc(OCc2nc(C(=O)NCC3(N4CCOCC4)CCCCC3)cs2)cc1 22462625 LQMNSODPFIIIDV-UHFFFAOYSA-N 429.586 3.795 0 40 IHAB CCc1nc2sc([C@H](c3ccc(Cl)c(Cl)c3)N3CCN(C)CC3)c(O)n2n1 22854435 KNSWAFAFYBIXOM-HNNXBMFYSA-N 426.373 3.702 0 40 IHAB CCC[C@H](c1nnnn1CCOC)N1CCN(C(c2ccccc2)c2ccccc2)CC1 22928828 FYQYIVTVEOUKIP-HSZRJFAPSA-N 434.588 3.568 0 40 IHAB COc1ccc(CN2CCN(C(=O)c3c[nH]c(=S)n3-c3ccc(F)cc3)CC2)cc1 24032406 YIHFTHACULLCKU-UHFFFAOYSA-N 426.517 3.641 0 40 IHAB O=C(c1cc(Cl)c2c(c1)OCO2)N1CCN(Cc2ccc(Br)s2)CC1 25638350 CORCFEGNQVGKLG-UHFFFAOYSA-N 443.750 3.851 0 40 IHAB CN(Cc1c(F)cccc1Cl)C(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C 29777559 CHJQOGSBJSEYHD-HSZRJFAPSA-N 443.906 3.827 0 40 IHAB CCOc1cccc(CNC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)c1 30856157 UGNZIYNBIIKKPQ-UHFFFAOYSA-N 430.551 3.902 0 40 IHAB O=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 31552228 VXLOINBIAVHNOU-CQSZACIVSA-N 428.432 3.625 0 40 IHAB CN(CCCC(=O)Nc1ccccc1N1CCCCC1)S(=O)(=O)c1ccc(F)cc1 32674178 LHGVDZUJKGJMCM-UHFFFAOYSA-N 433.549 3.855 0 40 IHAB CCOc1cc2c(cc1CNC(=O)[C@@H]1CCCN1C(=O)Nc1ccc(F)cc1)O[C@H](C)C2 32934422 CBKKAKYPRQWGAL-QRWLVFNGSA-N 441.503 3.861 0 40 IHAB CCOC(=O)c1c(-n2c(C)cc(/C=C3\N=C(S)NC3=O)c2C)sc2c1CCCC2 33409489 OMLSVPSRIXLMBL-GDNBJRDFSA-N 429.567 3.968 0 40 IHAB C[C@@H](Sc1nc(CN2CCOCC2)nc2ccccc12)C(=O)NC1CCCCCC1 40024551 GBJDOOITFBHIGJ-QGZVFWFLSA-N 428.602 3.782 0 40 IHAB COc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3nc(C)cs3)ccc2OC)cc1 40150871 WLRPKCZKZPXZOD-UHFFFAOYSA-N 433.511 3.522 0 40 IHAB Cc1ccc(C(=O)Nc2cc(C(=O)OCc3cc(=O)n4oc(C)cc4n3)ccc2C)cc1 41089563 QYWWDKOXBAPLKU-UHFFFAOYSA-N 431.448 3.822 0 40 IHAB COC(=O)CCCCNC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 60126520 ZRSHACJOUGZTSV-UHFFFAOYSA-N 437.340 3.983 0 40 IHAB Cc1ccc(Cl)cc1NC(=O)Cn1cnc2nc(N3CCC[C@@H](C)C3)sc2c1=O 67226169 ZXQBKNCGGQIDCI-GFCCVEGCSA-N 431.949 3.690 0 40 IHAB COC(=O)/C(=C\Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(C(C)(C)C)cc1 67340445 REIGNGZUWDVQJS-XSFVSMFZSA-N 431.510 3.656 0 40 IHAB O=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1cc2c(F)cc(Br)cc2[nH]1 69451488 IBQSPJZUFSTRFW-UHFFFAOYSA-N 446.276 3.794 0 40 IHAB CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)Cn2ccnc2S(C)(=O)=O)cc1 72307048 FIVAEVWEEGNDDM-UHFFFAOYSA-N 449.916 3.770 0 40 IHAB CCNC(=O)C1(Cc2cccc(-c3ccncc3)c2)CCN(C(=O)Cc2cccnc2)CC1 72345245 WXAHFNFKTARZEL-UHFFFAOYSA-N 442.563 3.674 0 40 IHAB Cc1cccc(C(=O)N2CCC[C@@H](c3cc(C(F)(F)F)c4c(N)nc(C)nc4n3)C2)n1 72350866 OHAJBGYCZYLLRE-CYBMUJFWSA-N 430.434 3.657 0 40 IHAB COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2nnc(C3CC3)s2)C12CCCC2 72401262 KISUOGKHOOFYAP-KRWDZBQOSA-N 426.542 3.553 0 40 IHAB CS(=O)(=O)c1ccc(OCCCC(=O)N[C@]2(C(F)(F)F)CCc3ccccc32)cc1 96005875 VVUYXWNEWOALGV-HXUWFJFHSA-N 441.471 3.769 0 40 IHAB CCCC(=O)N1CCc2nc3cc([C@@H]4CCCCN4Cc4cccs4)nn3c(O)c2C1 100233838 SPIAVWGZNULENC-FQEVSTJZSA-N 439.585 3.908 0 40 IHAB CCn1c(S)nc2cc(C(=O)N[C@H](C)c3cccc(Br)c3)ccc2c1=O 103062749 SDSNQKGPKNOMFF-LLVKDONJSA-N 432.343 3.959 0 40 IHAB CC[C@H](C(=O)NCCC1=CCCCC1)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 222493698 YCFGOTXVEPXBEG-QGZVFWFLSA-N 428.982 3.900 0 40 IHAB COc1ccc(N(CC(=O)NCCSC2CCCC2)S(=O)(=O)c2ccccc2)cc1 222799285 LAPMCXTZAWXNTD-UHFFFAOYSA-N 448.610 3.683 0 40 IHAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2C(=O)OC)o1 223036476 JMOGCBJXTHQBAE-SFTDATJTSA-N 437.521 3.747 0 40 IHAB Cc1ccc(OCCNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)c(C)c1 223664998 YQSNLTWAZIEXTD-UHFFFAOYSA-N 445.368 3.571 0 40 IHAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCC3=CCCCC3)cc2)cc1OC 223925278 AFYAXEKWRVTPHQ-UHFFFAOYSA-N 444.553 3.759 0 40 IHAB Cc1ccc(OCCNC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)c(C)c2)cc1 224200813 MAUWWANFEQYIEM-UHFFFAOYSA-N 438.549 3.937 0 40 IHAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc2c(c1)OCO2 224348612 BXNKQWBSUWXBPK-IBGZPJMESA-N 430.932 3.945 0 40 IHAB Cc1cccc([C@@H](NC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)c2ccccc2)c1 225081187 ODZHQDIGNREMSE-DEOSSOPVSA-N 438.549 3.675 0 40 IHAB COCCCn1c(SCc2nc(-c3ccc(F)cc3)no2)nc2ccccc2c1=O 225534112 BWFJMGSJSFVCPR-UHFFFAOYSA-N 426.473 3.914 0 40 IHAB COC(=O)c1ccc(C)c(NC(=S)NCc2ccc(OC3CCN(C)CC3)cc2)c1 225772669 XVBAXSKIFJGVRJ-UHFFFAOYSA-N 427.570 3.741 0 40 IHAB Cc1cccc([C@@]2(C(=O)N(C)C)CCCN2Cc2ccccc2OCc2cccnc2)n1 257210571 BVETXTGSOCSYMV-AREMUKBSSA-N 430.552 3.944 0 40 IHAB Cc1cccc(N(CC(=O)NCc2cccnc2)S(=O)(=O)c2ccc(Cl)cc2)c1 408546849 WNQJCASDNSANNZ-UHFFFAOYSA-N 429.929 3.555 0 40 IHAB C[C@@H](Oc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1)C(=O)NC1CCCCC1 408600666 BVMQKIZOFMYDPU-GOSISDBHSA-N 442.581 3.650 0 40 IHAB C[C@@H](C(=O)N1CCCCCC1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408685495 QVPANNCENICCSS-CNJGDLNESA-N 428.532 3.670 0 40 IHAB CC[C@@H](C)NC(=O)[C@H](CCC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 409002523 OGRQCGGKFRRJCU-NQIIRXRSSA-N 426.513 3.720 0 40 IHAB COc1cc(/C=C2/NC(=O)N(C)C2=O)c(Br)cc1OCc1ccccc1F 409189774 IPAVYQLWUYZRMH-VIZOYTHASA-N 435.249 3.698 0 40 IHAB CCOc1ccc(Br)cc1/C=C1\SC(=O)N(CC(=O)N(CC)CC)C1=O 409215039 ZWMWJFHAKBUFCX-GDNBJRDFSA-N 441.347 3.753 0 40 IHAB COCCCN1C(=O)S/C(=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)C1=O 409253180 YYFKWECXBWJCKF-XMHGGMMESA-N 426.494 3.777 0 40 IHAB CCCc1cc(C(=O)N2CCC[C@@]3(CCCCc4ccccc4OCCNC3=O)C2)no1 643560467 SRBNGRPZGDPPFU-VWLOTQADSA-N 439.556 3.771 0 40 IHAB COc1ccccc1NC(=O)CCN1C(=O)S/C(=C\c2ccc(OC)c(OC)c2)C1=O 1236504 BKMZLRJFZUJTIU-UYRXBGFRSA-N 442.493 3.778 0 40 IHAB CCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1 2147309 PGEPMAKQHFTJEB-HXUWFJFHSA-N 443.521 3.771 0 40 IHAB biogenic COc1ccc(OS(=O)(=O)c2ccccc2)c(/C=C2\N=C(c3ccccc3)OC2=O)c1 2817645 UNFCJUSQCPLNJZ-HKWRFOASSA-N 435.457 3.807 0 40 IHAB Nc1c(S(=O)(=O)c2ccc(F)cc2)c2nc3ccccc3nc2n1Cc1ccccn1 3290093 XGSFVRHCRNRILJ-UHFFFAOYSA-N 433.468 3.582 0 40 IHAB C[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)NCc3ccc4c(c3)OCO4)c2C1 3482042 KSWNUIBAAJWQRY-OAHLLOKOSA-N 432.476 3.562 0 40 IHAB CCOc1ccccc1-n1nnnc1S[C@H](C)C(=O)Nc1ncc(Cl)cc1Cl 3533483 MLZBNQAKHDHWLA-SNVBAGLBSA-N 439.328 3.882 0 40 IHAB CC(C)CN(CC(C)C)C(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2Cl)C1=O 3595036 RMXDAMJQTHTKMZ-HXUWFJFHSA-N 428.360 3.901 0 40 IHAB COC[C@H](C)NC(=O)CCSc1nc(-c2ccc3c(c2)OCO3)cc(C(F)(F)F)n1 3645239 KCSSNSKUZNWNJX-NSHDSACASA-N 443.447 3.524 0 40 IHAB COCCNC(=S)N(Cc1ccc(OC)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O 6320804 QTXNFQLWWLBDRZ-UHFFFAOYSA-N 439.581 3.677 0 40 IHAB C[C@H](Sc1ncc(C(F)(F)F)cc1Cl)C(=O)Nc1ccc(S(N)(=O)=O)cc1 8766753 VCNKXBMRWQZXDJ-QMMMGPOBSA-N 439.868 3.521 0 40 IHAB Cc1nnc(NC(=O)CSc2ccc(-c3sc(-c4cccnc4)nc3C)nn2)s1 8875986 VRHQETOTVHJNQF-UHFFFAOYSA-N 441.567 3.861 0 40 IHAB CC(C)c1ccc(CN(CC(=O)N2CCN(C(=O)c3cccs3)CC2)C2CC2)cc1 8945319 PRRCTRHJPNQDAM-UHFFFAOYSA-N 425.598 3.821 0 40 IHAB CC1(C)Cc2c(sc3nc(SCC(=O)O)n(CCc4ccccc4)c(=O)c23)CO1 9042363 ANLBROQOWYUOOF-UHFFFAOYSA-N 430.551 3.729 0 40 IHAB CCc1nnc2sc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(F)cc4)c3)nn12 9064578 JZWKUCPJTHMKOR-UHFFFAOYSA-N 440.529 3.990 0 40 IHAB COc1ccc2cc(CNc3ccccc3)c(=O)n(CC(=O)NCCc3ccccc3)c2c1 9319961 FYXPPORAUMRGCZ-UHFFFAOYSA-N 441.531 3.981 0 40 IHAB Cc1cc(C)cc(O[C@@H](C)C(=O)N(Cc2ccc(Cl)cc2)[C@H]2CCS(=O)(=O)C2)c1 9345947 MMVLCRIUIHOPNC-PXNSSMCTSA-N 435.973 3.940 0 40 IHAB COc1ccc(C(=O)Nc2nnc(SCC(=O)Nc3ccccc3F)s2)c(OC)c1 9365881 RCGRBFQWPGSUSZ-UHFFFAOYSA-N 448.501 3.678 0 40 IHAB COc1cccc(/C=C2/SC(=O)N(CCC(=O)Nc3ccc4nccnc4c3)C2=O)c1 9577077 VBASKDNNNOALNQ-XDHOZWIPSA-N 434.477 3.704 0 40 IHAB COc1ccc(CNC(=O)COc2ccccc2C(=O)c2cnn(-c3ccccc3)c2)cc1 9577876 JUNJYBQCYGQWHO-UHFFFAOYSA-N 441.487 3.807 0 40 IHAB COc1ccc(C(=O)Nc2nc(-c3ccc(C)o3)cs2)cc1S(=O)(=O)N1CCCC1 9586001 FGDYZZIUCYTVDF-UHFFFAOYSA-N 447.538 3.757 0 40 IHAB Cn1nc(C(=O)O[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)c2ccccc2c1=O 9664607 JWBZCTMCPOUNEA-NRFANRHFSA-N 431.423 3.609 0 40 IHAB Cc1ccccc1N(CC(=O)N1CCC(c2nc3ccccc3s2)CC1)S(C)(=O)=O 9671987 YYABXWGHVHDYRU-UHFFFAOYSA-N 443.594 3.777 0 40 IHAB O=C1N[C@@H](c2cccc(Br)c2)[C@H](C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 9704295 QFHWXDRJPSSTMX-JKIFEVAISA-N 443.219 3.553 0 40 IHAB O=S(=O)(Nc1ccc(Cl)cc1)c1cccc(NC(=S)NC[C@@H]2CCCO2)c1 9716330 KGVMNIVOZKYTKF-INIZCTEOSA-N 425.963 3.606 0 40 IHAB CCCCCC(=O)Nc1cc(C(=O)OC)ccc1N1CCN(C(=O)c2ccccc2)CC1 9907865 ORWGEYJWVNLWCY-UHFFFAOYSA-N 437.540 3.954 0 40 IHAB CCc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)N2CCOC)cc1 9934321 VLKDMLGKODCSIR-IBGZPJMESA-N 429.904 3.715 0 40 IHAB COc1ccc(-c2ccc(=O)n(CC(=O)Nc3cc(Cl)ccc3Cl)n2)cc1OC 10131869 DQGNCUQBRKUKOR-UHFFFAOYSA-N 434.279 3.873 0 40 IHAB Cc1ccc(N2C(=O)N(CC(=O)N3CCCCCC3)c3ccccc3S2(=O)=O)c(C)c1 10273866 OAODQWLSSYKSBS-UHFFFAOYSA-N 441.553 3.841 0 40 IHAB O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 10447054 LCFXWGQYGZIKEW-UHFFFAOYSA-N 437.584 3.586 0 40 IHAB C[C@@H](Sc1nnnn1Cc1ccco1)c1nc2scc(-c3ccco3)c2c(=O)[nH]1 11683102 ZDLHBKGZGXGALN-SNVBAGLBSA-N 426.483 3.726 0 40 IHAB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)Nc1nc2cc3c(cc2s1)OCCO3 11751804 AWAPLIKOHOYRMU-SFHVURJKSA-N 429.473 3.600 0 40 IHAB O=C(Cn1c(S)nnc1-c1ccc(Cl)cc1)Nc1cccc(N2CCCC2=O)c1 11916793 QOFLAHZIGFBFHA-UHFFFAOYSA-N 427.917 3.653 0 40 IHAB COc1cc(OC)cc([C@H](NC(=O)Cc2cccc(C(F)(F)F)c2)c2nccn2C)c1 12550933 KMELXHBRRMEQLK-FQEVSTJZSA-N 433.430 3.904 0 40 IHAB CCCC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N(CC)c2ccc(F)cc2)C1=O 12679180 KWDWKIVMCFSVHR-HSZRJFAPSA-N 429.467 3.955 0 40 IHAB C[C@@H]1c2ccsc2CCN1C(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 12763615 NVAUIXIUSUUFBM-CYBMUJFWSA-N 440.537 3.573 0 40 IHAB CS(=O)(=O)NCCc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)s1 12933915 ISLOEVXCJLKGJH-UHFFFAOYSA-N 447.607 3.704 0 40 IHAB O=C(Nc1ccc(N2CCc3sccc3C2)nc1)[C@@H]1CCCN(C(=O)c2ccco2)C1 13012252 UYOVVLAHVHUVPQ-QGZVFWFLSA-N 436.537 3.790 0 40 IHAB COc1cc(NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)c(OC)cc1Cl 13847083 MBLZCJAQSSRYFF-UHFFFAOYSA-N 448.928 3.915 0 40 IHAB Cc1nn(Cc2ccccc2)c(C)c1CNS(=O)(=O)c1ccccc1Br 15358879 ZMMFKRWFGDXOJB-UHFFFAOYSA-N 434.359 3.789 0 40 IHAB Cc1nc2sc(C(=O)OCC(=O)Nc3ccc(SC(F)F)cc3)c(C)c2c(=O)[nH]1 16097439 HRQWGKWDRHBFBC-UHFFFAOYSA-N 439.465 3.712 0 40 IHAB CCOc1ccccc1N(CC(=O)N[C@H](C)CC)S(=O)(=O)c1ccc(SC)cc1 16610275 MYJBYZZOACMWKL-MRXNPFEDSA-N 436.599 3.917 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)NC2CC2)Cc2c(Cl)cccc2Cl)cc1 17095324 KFZPAWGNQMZOIJ-UHFFFAOYSA-N 427.353 3.771 0 40 IHAB CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1OCC 17319934 NRYZSCRTSFSTPP-UHFFFAOYSA-N 432.542 3.911 0 40 IHAB CCCOc1ccc(C(=O)CCC(=O)OCC(=O)Nc2cccc3nsnc23)cc1 19078223 AHCVCNMQPFKJMC-UHFFFAOYSA-N 427.482 3.625 0 40 IHAB COc1ccc(CC(=O)NCc2ccc(-c3ncncc3-c3cc(C)no3)cc2)cc1OC 19124330 JJIFQYNJADCSPD-UHFFFAOYSA-N 444.491 3.983 0 40 IHAB COc1ccc(CN2CCNC(=O)[C@@H](Cc3cccc(-c4cccnc4)c3)C2)c(OC)c1 19552434 REBOLACGZASKBT-QHCPKHFHSA-N 431.536 3.557 0 40 IHAB COc1ccc(CC(=O)N2CCC[C@@H]2c2nc(N(C)C)ncc2-c2cc(C)no2)cc1C 19571141 UITATGHDQZTWNS-LJQANCHMSA-N 435.528 3.729 0 40 IHAB CN(C)C(=O)c1sc2ncccc2c1[C@H]1CN(C(=O)Cc2c[nH]c3ccccc23)CCO1 19702701 VIMJXHYIWLJJTD-LJQANCHMSA-N 448.548 3.622 0 40 IHAB COc1ccccc1OCc1cc([C@H]2CCN(C(=O)CCN3CCc4ccccc43)C2)n[nH]1 19704638 WHTTYMODJXRMJW-FQEVSTJZSA-N 446.551 3.766 0 40 IHAB CC(=O)N[C@H]1C[C@@H](c2ccc(NC(=O)c3ccc(-n4cccn4)nc3)cc2)O[C@@H](C(C)C)C1 19711763 HEVORVZABFFCRM-ZLNRFVROSA-N 447.539 3.900 0 40 IHAB Cc1nc([C@H]2CCCN(C(=O)C3(c4ccccc4)CCCC3)C2)nc2c1CCC(=O)N2C 19741261 JYHKFPVODVLXNO-IBGZPJMESA-N 432.568 3.912 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1Cl 20106327 BDYZFDQXNZLSGZ-CQSZACIVSA-N 438.933 3.618 0 40 IHAB Cc1c(CC(=O)NCCN2CCOCC2)c(=O)oc2cc3occ(-c4ccccc4)c3cc12 20757581 WIOULACFMGDPOG-UHFFFAOYSA-N 446.503 3.506 0 40 IHAB biogenic CCOc1ccccc1-c1nc(CC(=O)Nc2cc(S(=O)(=O)CC)ccc2O)cs1 21399597 OSFXLVHHZZPSTK-UHFFFAOYSA-N 446.550 3.889 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CSCc2nc3sc(C)c(C)c3c(=O)[nH]2)cc1 22043033 JCIWQXDCQUHZJK-UHFFFAOYSA-N 431.539 3.650 0 40 IHAB CS(=O)(=O)N(CC(=O)NCCCc1ccc(F)cc1)c1cc(Cl)cc(Cl)c1 22334809 NAICIABHHMFHGU-UHFFFAOYSA-N 433.332 3.648 0 40 IHAB CC[C@@H](NC(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O)c1ccc(C)cc1C 22336129 MPJSQRIHFVWVSJ-GOSISDBHSA-N 438.977 3.999 0 40 IHAB CCCOc1ccc(N(CC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)cc1 22401674 HXUMTIBPEHNYIB-HXUWFJFHSA-N 446.569 3.660 0 40 IHAB O=C(CSCc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 22834202 DOLFRNLVCYLPMO-UHFFFAOYSA-N 448.957 3.803 0 40 IHAB Cc1c(NC(=O)c2csc(COc3ccc(F)cc3)n2)c(=O)n(-c2ccccc2)n1C 24830813 VUTPRYVEHZBEDF-UHFFFAOYSA-N 438.484 3.911 0 40 IHAB COc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)NCc4ccco4)cc3)sc2c1 28838834 ORDQLMUYSBTNIU-UHFFFAOYSA-N 443.506 3.629 0 40 IHAB O=C(CCN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(Cl)c(C(F)(F)F)c1 29600512 NLMYXPKCRJHWJM-UHFFFAOYSA-N 432.807 3.532 0 40 IHAB Cc1ccc(C(=O)N2CCC[C@H](C(=O)N(Cc3nc4ccccc4c(=O)[nH]3)C(C)C)C2)cc1 32824623 KNVGKLHWFSTEAE-FQEVSTJZSA-N 446.551 3.521 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)[C@@H]3CCCc4ccccc43)C2)s1 32903921 BBHCYZCFJYEUFN-UYAOXDASSA-N 432.611 3.993 0 40 IHAB O=C(NCc1cccnc1)C1CCN(c2ncccc2-c2nc(-c3ccccc3)no2)CC1 49006506 AGFKMUAUAIUFNB-UHFFFAOYSA-N 440.507 3.726 0 40 IHAB Cc1cc(C)cc(NC(=O)CN2CN(c3cccc(F)c3)c3ncccc3S2(=O)=O)c1 49411538 KSRZPHMQIHILJM-UHFFFAOYSA-N 440.500 3.576 0 40 IHAB Cc1cccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)C(C)(C)C)CC3)cc2)c1 57316284 TXUZLJLUQVKELY-UHFFFAOYSA-N 438.597 3.817 0 40 IHAB O=C(Cn1c(=O)n(-c2ccccc2F)c(=O)c2sccc21)Nc1cc(F)ccc1Cl 57490612 WHCFNKCDDNEDLD-UHFFFAOYSA-N 447.850 3.784 0 40 IHAB CC(=O)c1ccc(NC(=O)Cn2c(=O)n(-c3cc(C)cc(C)c3)c(=O)c3sccc32)cc1 57492295 FXEVKIFSTIIDDV-UHFFFAOYSA-N 447.516 3.672 0 40 IHAB COc1ccc(CN2CCC([C@@H](NC(=O)CC(C)C)c3ccccn3)CC2)cc1CO 57774001 ZRNQKGITRVAFIG-RUZDIDTESA-N 425.573 3.698 0 40 IHAB COc1ccc([C@@H]2Nc3ccccc3C(=O)N2CCCC(=O)NCc2ccccn2)cc1 61719610 ZZXPDLFHAQZZQD-XMMPIXPASA-N 430.508 3.753 0 40 IHAB CCCc1noc(-c2ccnc(-n3cnc(C(=O)NCc4ccc(F)c(Cl)c4)c3)c2)n1 71768455 IUAXNBYYZWKHNV-UHFFFAOYSA-N 440.866 3.992 0 40 IHAB COc1ccc(C2(C(=O)N3CCC4(CC3)C[C@](O)(c3nccs3)CO4)CCCC2)cc1 72335666 JLPQKIGLLCEYQR-XMMPIXPASA-N 442.581 3.633 0 40 IHAB CNC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(C(=O)c2ccccc2OC)CC1 72345026 FKVJPARUNHFJBJ-UHFFFAOYSA-N 443.547 3.968 0 40 IHAB CCN1CCN(C(=O)Cc2ccc(OC)cc2)[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O 72351888 RLBXARPZCOHFDI-VWLOTQADSA-N 443.547 3.602 0 40 IHAB Cc1nc([C@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cs1 78660110 YGUVFHCASMENEE-HNNXBMFYSA-N 443.594 3.883 0 40 IHAB COCCOC1CN(C(=O)c2sc(NC(=O)c3ccc(F)cc3Cl)cc2C)C1 78976281 UGMPQPOBSBQZEO-UHFFFAOYSA-N 426.897 3.589 0 40 IHAB COc1ccc(CCNC(=O)Cn2cccc2-c2nc(-c3ccccc3)no2)cc1OC 98211301 ZCUDPHGRQPWTSS-UHFFFAOYSA-N 432.480 3.581 0 40 IHAB CC[C@@H](C(=O)NCc1ccccc1Cl)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 220750034 QXJXCYCTGDBKLO-KRWDZBQOSA-N 445.368 3.863 0 40 IHAB COc1ccc(N(CCCC(=O)Nc2cc(Cl)ccc2OC)S(C)(=O)=O)cc1 222600255 SHAZPJIWBHXOEY-UHFFFAOYSA-N 426.922 3.542 0 40 IHAB O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)Nc1ccc2sncc2c1 222648339 DKMQQLNTSOZQPL-UHFFFAOYSA-N 431.539 3.535 0 40 IHAB O=C(NCCO)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 223360843 QUGPGFOVHGICEP-XMMPIXPASA-N 436.939 3.761 0 40 IHAB Cc1ccc(N(CC(=O)NCCOc2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c(C)c1 223622238 KYJIBGKSUKMELZ-UHFFFAOYSA-N 432.586 3.562 0 40 IHAB Cc1cccc(OCCNC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2C)c1 224102183 RLQYZAJQQHZLPZ-UHFFFAOYSA-N 430.570 3.533 0 40 IHAB CC(C)n1c(=O)sc2cc(S(=O)(=O)NCCOc3ccccc3Cl)ccc21 225718842 WLFICGXNJBHXHT-UHFFFAOYSA-N 426.947 3.655 0 40 IHAB COc1ccc([C@@H]2CN(C(=O)C3(c4ccc(Cl)cc4)CCOCC3)CCN2C)cc1 257276881 NVNGORNCZNKOIM-QFIPXVFZSA-N 428.960 3.912 0 40 IHAB CCn1ncc(CN2CCO[C@H](c3cc(CCOc4ccccc4Cl)[nH]n3)C2)c1C 257333470 YBSAMXCOFCDZKM-QFIPXVFZSA-N 429.952 3.783 0 40 IHAB Cc1cccc(CN2C[C@H](c3cn(C(C)C)cn3)[C@@]3(CCN(Cc4ccncc4)C3=O)C2)n1 306128257 GVLOYIYSYUYNKW-ZEQKJWHPSA-N 444.583 3.581 0 40 IHAB Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(C(=O)OCC(C)C)cc2)cc1 408655564 DJFKHOUIAQQJOU-UHFFFAOYSA-N 440.496 3.708 0 40 IHAB COC(=O)c1cc(NC(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)ccc1Cl 409412581 XXYPMKYXJCCYQH-NSHDSACASA-N 445.324 3.573 0 40 IHAB CC(C)(C)C(=O)Nc1nc(CC(=O)N[C@@]2(Cc3ccc(Cl)cc3)CCOC2)cs1 500338898 WFURDVLWWXAZHE-OAQYLSRUSA-N 435.977 3.842 0 40 IHAB Cc1ccccc1[C@H](NC(=O)N1C[C@H](c2cnn(C)c2)[C@@H](C(N)=O)C1)C1CCC(C)CC1 672865846 IPFLAZXQLRMINQ-BJDZDMRKSA-N 437.588 3.506 0 40 IHAB CCC(C)(C)n1nnnc1CN(Cc1cccnc1)Cc1cc2cc(C)ccc2[nH]c1=O 925647 JJMZTOTVZCWTSV-UHFFFAOYSA-N 431.544 3.566 0 40 IHAB COc1ccc2cc(C)c(SCC(=O)Nc3ccc(S(=O)(=O)N(C)C)cc3)nc2c1 932995 FHNZVJFVFVOSEJ-UHFFFAOYSA-N 445.566 3.533 0 40 IHAB CCCC(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1 2153612 CVKBHANRTYTDBG-UHFFFAOYSA-N 444.538 3.935 0 40 IHAB Cn1nc(-c2ccc(S(=O)(=O)n3cnc(Cl)c3Cl)s2)cc1C(F)(F)F 2154067 USRMCAMTQNZHFQ-UHFFFAOYSA-N 431.248 3.908 0 40 IHAB CCCCOc1ccc(-n2c(N)c(C(=O)NCCOC)c3nc4ccccc4nc32)cc1 2303346 CIUKOXKXEIIQQS-UHFFFAOYSA-N 433.512 3.711 0 40 IHAB COc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1OC 2418689 GHYGWTPQHWSGBY-YCRPNKLZSA-N 439.439 3.674 0 40 IHAB CCOC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)c1C 3300180 YSMCQKLGUHZKHZ-RUZDIDTESA-N 447.491 3.611 0 40 IHAB CC(C)[C@H](C)NC(=O)CSc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2 3542322 PHKNVHBNCLZDCW-INIZCTEOSA-N 439.585 3.513 0 40 IHAB COc1cc2c(cc1OC)[C@@H](c1cc(Br)c(O)c(OC)c1)[C@H]1C(=O)OC[C@H]1C2 5767110 YHYWCWAKWGMRSK-DPMMWBKBSA-N 449.297 3.658 0 40 IHAB Cc1c(O[C@@H](C)C(=O)NC2CC(C)(C)NC(C)(C)C2)ccc2c3c(c(=O)oc12)CCC3 6659131 PLBJLUVIAZBMHI-HNNXBMFYSA-N 426.557 3.783 0 40 IHAB Cc1ccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(-n3cnnn3)cc2)cc1 8723580 SGFMCUOSSIWNIX-UHFFFAOYSA-N 444.520 3.954 0 40 IHAB CCOC(=O)c1c(-c2ccc(CC)cc2)csc1NC(=O)C[C@@H]1CCS(=O)(=O)C1 8763854 IMWJWQJTNLGXRJ-HNNXBMFYSA-N 435.567 3.918 0 40 IHAB CCn1c(S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)nnc1[C@H](C)NC(=O)c1ccccc1 8784369 VNVJYSAWHHDJHD-GJZGRUSLSA-N 448.552 3.879 0 40 IHAB CCC(=O)N1CCc2c([nH]c3ccccc23)[C@@]12C(=O)N(C)c1ccc(Br)cc12 8876869 BLSQCXQEGWDTPP-QFIPXVFZSA-N 438.325 3.945 0 40 IHAB biogenic Cc1cccc(N(CC(=O)NCc2ccccc2)C(=O)CCC(=O)Nc2cc(C)ccn2)c1 8995220 BGCISZNXDVRBCO-UHFFFAOYSA-N 444.535 3.767 0 40 IHAB C[C@H]1CCC[C@@H](C)N1C[C@H](O)COc1ccc(OC[C@H](O)CN2[C@@H](C)CCC[C@H]2C)cc1 9082763 ODYINPFMZIJYIN-SSIAJPCRSA-N 448.648 3.692 0 40 IHAB COc1ccccc1Nc1nn2c(=O)c3ccc(C(=O)NCc4ccco4)cc3nc2s1 9274459 ZLSOXFKNAZLFFQ-UHFFFAOYSA-N 447.476 3.579 0 40 IHAB COc1ccc(-n2nc3c(c2NC(=O)c2cccc4ccccc24)CS(=O)(=O)C3)cc1 9391547 HUJGXASDKQMLMN-UHFFFAOYSA-N 433.489 3.715 0 40 IHAB O=C(Cn1nnc(-c2cccc(Cl)c2)n1)Nc1ccccc1C(=O)NCc1ccccc1 9465752 OMNCQGJKXQJIJK-UHFFFAOYSA-N 446.898 3.562 0 40 IHAB Cc1ccc(Cn2c(=O)c3c(nc4n3C[C@H](C)CN4c3ccc(Cl)cc3)n(C)c2=O)cc1 9519071 UFPIKQJJBDFBNK-MRXNPFEDSA-N 449.942 3.695 0 40 IHAB NC(=O)c1c(NC(=O)CSc2nnc(NCc3ccco3)s2)sc2c1CCCC2 9580590 KTRIMJHBDBURLQ-UHFFFAOYSA-N 449.583 3.513 0 40 IHAB COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)CN2C(=O)CCC2=O)cc1 9612997 XSRHFYRJOWGBIL-HSZRJFAPSA-N 441.487 3.675 0 40 IHAB NC(=O)N[C@H](CC(=O)OCc1cc(=O)oc2cc3c(cc12)CCC3)c1ccc(Cl)cc1 9666106 QAILNXYXXUYSCJ-LJQANCHMSA-N 440.883 3.778 0 40 IHAB O=C(CN(Cc1ccccc1)S(=O)(=O)c1cccc(C(F)(F)F)c1)N1CCCC1 9740733 UYHHHMSKTRGZII-UHFFFAOYSA-N 426.460 3.519 0 40 IHAB COc1ccc(CNc2nc(NCc3ccc(OC)cc3)n(C(=O)c3ccco3)n2)cc1 9847035 SXWDLOZCQFWZDR-UHFFFAOYSA-N 433.468 3.801 0 40 IHAB COc1ccc(S(=O)(=O)CCCC(=O)Nc2nc3c(s2)Cc2ccccc2-3)cc1 10218732 QUUQCSMFCPHKBJ-UHFFFAOYSA-N 428.535 3.916 0 40 IHAB COc1ccc(N([C@@H](C)C(=O)Nc2cccc(OC(C)C)c2)S(C)(=O)=O)cc1Cl 10313934 KGAATNBCMRGZSK-AWEZNQCLSA-N 440.949 3.929 0 40 IHAB COC(=O)c1cccc(NC(=O)[C@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c1 10440743 DDNKNVDOGMQXRT-NSHDSACASA-N 445.324 3.573 0 40 IHAB CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)c1cc2cnn(C(C)C)c2nc1C 10446315 XPZUGJXHDZSUQP-UHFFFAOYSA-N 427.936 3.753 0 40 IHAB Cc1cc2oc(=O)cc(COC(=O)CCCN(C)S(=O)(=O)c3cccs3)c2cc1C 11032911 SPOFCSLNLOYTIH-UHFFFAOYSA-N 449.550 3.615 0 40 IHAB CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 11416854 BCCUQMDYQVIFBL-FQEVSTJZSA-N 431.895 3.999 0 40 IHAB O=C(Cn1cnc2c(cnn2-c2ccc(Cl)cc2)c1=O)Nc1ccc(C(F)(F)F)cc1 11758425 SISYEXCAMKDQJJ-UHFFFAOYSA-N 447.804 3.893 0 40 IHAB COc1cc(OC)c(C2=CCN(C(=O)c3ccc(NC(=O)C4CC4)cc3)CC2)c(OC)c1 11918447 GCCCINGJAJLOSW-UHFFFAOYSA-N 436.508 3.990 0 40 IHAB COc1ccc(S(=O)(=O)c2nc(-c3ccc(Cl)cc3)oc2N2CCOCC2)cc1 12370948 XQQSVDQASBRVHC-UHFFFAOYSA-N 434.901 3.673 0 40 IHAB O=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 12391671 XDMVDIOXHWZMLM-SFHVURJKSA-N 445.485 3.839 0 40 IHAB COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(NC(=O)C2CC2)cc1 12584367 SWTMZVPWGFDGNM-UHFFFAOYSA-N 425.304 3.607 0 40 IHAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 12599160 UDQBJJQGQXYBFX-UHFFFAOYSA-N 429.524 3.669 0 40 IHAB CCn1c(Cc2ccccc2)nnc1SCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 12678820 NAHGAVJRGMIOGK-INIZCTEOSA-N 435.553 3.745 0 40 IHAB Cc1cccc(NC(=O)CN(C)C(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1C 12768946 LLGBWGNZLPXLAV-UHFFFAOYSA-N 441.959 3.906 0 40 IHAB COc1ccc(CCn2c(C)cc(C(=O)COc3ccc(-n4cnnn4)cc3)c2C)cc1 12770967 FYNSIDHZAUMAIS-UHFFFAOYSA-N 431.496 3.594 0 40 IHAB O=C(c1ccccc1C(F)(F)F)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 12858363 RSRYFZIYMGLITM-UHFFFAOYSA-N 432.851 3.506 0 40 IHAB CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2ccc(-n3cncn3)cc2)NC(=S)N1C1CC1 12897574 CFXQXNJBCFWWMZ-QFIPXVFZSA-N 444.564 3.882 0 40 IHAB CC(=O)N[C@@H](CC(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1)c1ccccc1 13110025 VSHHDJANVNSJHE-IBGZPJMESA-N 434.521 3.901 0 40 IHAB C[C@H](NC(=O)COc1ccccc1C(=O)NCc1ccccc1)c1ccc2c(c1)OCO2 13112559 MOAUPROLBBRUJK-KRWDZBQOSA-N 432.476 3.602 0 40 IHAB CN(C)[C@H](CNC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O)c1ccccc1 13139003 RVYWJFZGSFHNNJ-JOCHJYFZSA-N 429.520 3.635 0 40 IHAB Cc1cc(C(=O)COC(=O)c2n[nH]c3ccccc23)c(C)n1Cc1ccc2c(c1)OCO2 13521978 DNBOWYOROSWBJK-UHFFFAOYSA-N 431.448 3.798 0 40 IHAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccccc2Cl)C1 13580649 XWSFKNSYBVFRGT-CYBMUJFWSA-N 426.897 3.527 0 40 IHAB COc1ccc(C(=O)Nc2ccccc2F)cc1S(=O)(=O)NCCc1ccccc1 13581807 VSMWWQFWWHUCQL-UHFFFAOYSA-N 428.485 3.608 0 40 IHAB COc1cc(C(=O)Nc2ccc(CC(=O)NCc3cccs3)cc2)cc(OC)c1OC 13716537 PWUXJQFYUORBFJ-UHFFFAOYSA-N 440.521 3.885 0 40 IHAB CCOC(=O)C[C@@H](NC(=O)c1cc2c(=O)n3ccccc3nc2s1)c1ccc(C)cc1 15441502 CKNIFRMPJJTQQY-QGZVFWFLSA-N 435.505 3.642 0 40 IHAB Cc1ccc(CN(C(=O)c2cc(=O)c3ccc(C)c(C)c3o2)[C@@H]2CCS(=O)(=O)C2)cc1 15831306 ZZMVVEVBUCEGMV-LJQANCHMSA-N 439.533 3.548 0 40 IHAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(Cl)c3F)cc2)C[C@@H](C)O1 15997381 CFGBGAAYZVHDEH-BETUJISGSA-N 426.897 3.529 0 40 IHAB O=S(=O)(/C=C/c1ccccc1)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 16098742 YHEHJGGZLGAYFY-SDNWHVSQSA-N 440.974 3.927 0 40 IHAB COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccc(OC)cc2)cc1 18068406 YXULWJUBTNSZEX-ZRBLBEILSA-N 430.460 3.755 0 40 IHAB CC(C)N1CCC[C@@H](CN(C)C(=O)c2cc(-c3ccncc3)c(N3CCOCC3)s2)C1 19447914 BZVOJAJBCXCJJB-IBGZPJMESA-N 442.629 3.839 0 40 IHAB CCCN1CCN(C(=O)c2cn(C)cn2)C[C@H](Cc2ccccc2-c2cccs2)C1=O 19503324 KECXFMDCAOSGAA-IBGZPJMESA-N 436.581 3.702 0 40 IHAB CCOC(=O)c1c(NC(=S)NC(=O)c2c(OC)cccc2OC)sc2c1CCCC2 19647751 XFFYOQNEYUQYEC-UHFFFAOYSA-N 448.566 3.948 0 40 IHAB CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@@H]2CCCN2C(=O)CC2CCCCC2)n1 19689599 QBXOUPFGACOIPQ-NRFANRHFSA-N 435.572 3.942 0 40 IHAB COc1ccccc1CN1C(=O)CCc2c(C)nc([C@H]3CCCN3C(=O)CC(C)C)nc21 19742024 NFFQWMHZCSYNRA-HXUWFJFHSA-N 436.556 3.983 0 40 IHAB O=C(Nc1ccc(F)c(F)c1F)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 19931144 NKCYAOGXJAJGOI-SFHVURJKSA-N 434.439 3.632 0 40 IHAB COC(=O)[C@@](NC(=O)Cc1ccccc1)(Nc1ncc(Cl)cc1Cl)C(F)(F)F 19944552 CYTJRTQYAAMMHA-MRXNPFEDSA-N 436.217 3.591 0 40 IHAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1cc(S(=O)(=O)NC(C)C)ccc1OC 20050431 NCQGHCMRRGVLCW-KRWDZBQOSA-N 440.949 3.831 0 40 IHAB CN1C[C@@H](NC(=O)CC(C)(C)C)C[C@H]1c1nc(-c2ccc(OC(F)(F)F)cc2)no1 20464091 CSHUZPQXZDULQP-ZFWWWQNUSA-N 426.439 3.933 0 40 IHAB biogenic,in-vitro CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 22232581 KHARQEPGSKPJAN-UHFFFAOYSA-N 446.475 3.949 0 40 IHAB O=C(NCCNC(=O)c1ccc(Br)cc1F)c1ccc(C(F)(F)F)cc1 24928545 DGORAEGNYPNQMS-UHFFFAOYSA-N 433.199 3.767 0 40 IHAB Cc1ccc(CN2C[C@H](C(=O)OCC(=O)Nc3ccc(Cl)cc3Cl)CC2=O)cc1 28609559 ACNODGYTGZNMME-OAHLLOKOSA-N 435.307 3.832 0 40 IHAB CC1CCN([C@H](CNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c2cccs2)CC1 31075527 YIVCKJQDSNVKOZ-HXUWFJFHSA-N 447.626 3.626 0 40 IHAB Cc1ccc(NC(=O)[C@@H](C)Sc2nc3cc(Cl)ccc3c(=O)n2C[C@H](C)O)cc1 32672259 DOWHNIQZXMNCJQ-UONOGXRCSA-N 431.945 3.858 0 40 IHAB Fc1ccc(Br)cc1-c1nnc2sc(-c3[nH]ncc3Br)nn12 36358830 CTNQCXWYLNDGQC-UHFFFAOYSA-N 444.087 3.907 0 40 IHAB CCCn1c(=O)c2ccccc2n2c(S[C@@H](C)c3nc(-c4cccnc4)no3)nnc12 40040836 SAWGKVIQUBIVGN-ZDUSSCGKSA-N 433.497 3.753 0 40 IHAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N[C@H](c1cccs1)C1CCCC1 40096624 PDGJOOHJMONYKK-FQEVSTJZSA-N 449.598 3.822 0 40 IHAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1 40157366 QTPGZRHNEAWCKQ-PXNSSMCTSA-N 448.544 3.610 0 40 IHAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@H](C)Oc1ccc2ccccc2c1 44884307 NYPWLUWASZSQCX-INIZCTEOSA-N 442.537 3.941 0 40 IHAB CCOc1cc(/C=C/C(=O)N2CCC[C@@H]2CN2C[C@H](C)O[C@H](C)C2)cc(Cl)c1OC 48345017 HCNXHAAQEFNLEU-HPRQGZMESA-N 436.980 3.861 0 40 IHAB CCc1cc(=O)n(CC(=O)Nc2ccc(C(=O)OC)cc2)c(-c2cccc(Cl)c2)n1 57527751 KEMCGMLYBKFKHQ-UHFFFAOYSA-N 425.872 3.551 0 40 IHAB COC(=O)[C@@H](c1ccc(F)cc1)N1CCN(c2nc(C(F)(F)F)nc3ccccc23)CC1 57996021 RJXTTZQVMKPTJF-GOSISDBHSA-N 448.420 3.824 0 40 IHAB Cc1cc(C(=O)Nc2ccc(CN3C(=O)CSC3=O)cc2)c2nc3n(c2n1)CCCCC3 58146963 QOCQZEITKPRUPH-UHFFFAOYSA-N 449.536 3.914 0 40 IHAB CC(C)Oc1ccc(C(=O)Nc2ccc(N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)nc2)cc1 62001857 AGVXJYMIVQWOGG-QUCCMNQESA-N 444.535 3.907 0 40 IHAB biogenic CCN1CCc2nc(-c3ccccc3)n(CC(=O)Nc3cccc(SC)c3)c(=O)c2C1 62007132 ZAFUKKFZXHADGD-UHFFFAOYSA-N 434.565 3.649 0 40 IHAB CCCCNC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2cc(C(C)(C)C)ccc2O1 64985613 RGSMJYKRVTWYJP-OAQYLSRUSA-N 430.570 3.857 0 40 IHAB COc1cccc(CCC(=O)N2CCC(c3nc(-c4ccc5c(c4)OCO5)no3)CC2)c1 67205921 WSUXAUGJEKJRDJ-UHFFFAOYSA-N 435.480 3.813 0 40 IHAB CCN1CCN(c2ccc(Cl)cc2NC(=O)[C@@]2(C)Cc3ccccc3C(=O)O2)CC1 69405052 NDOQNYJEIMCNNV-HSZRJFAPSA-N 427.932 3.592 0 40 IHAB Cc1ccc(-c2noc(-c3cccnc3N3CCC(C(=O)NC[C@H]4CCCO4)CC3)n2)cc1 71326338 DQUXJEDIVAUDEM-HXUWFJFHSA-N 447.539 3.619 0 40 IHAB CCCCOCCN(C(=O)c1nc2nc(C)cc(C)n2n1)c1cccc(Br)c1 72288720 XTYDAWLYYCQOIY-UHFFFAOYSA-N 446.349 3.967 0 40 IHAB Cc1cc(C)nc(Nc2cccc([C@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)n2)n1 72375982 AAWRBYSGFVSRCG-KRWDZBQOSA-N 441.532 3.939 0 40 IHAB O=C(NC(c1ccccc1)c1ccccc1)N1CCN(C(=O)c2cnn3ccccc23)CC1 77101305 YKCYFLDNSFXRFM-UHFFFAOYSA-N 439.519 3.591 0 40 IHAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)CCC(=O)Nc1nnc(C(C)C)s1 95426894 IRAIEGFTUPDLTE-GFCCVEGCSA-N 438.937 3.912 0 40 IHAB CN1CCN(c2ccc3c(-c4ncc(C(=O)NC5CCCCC5)s4)noc3c2)CC1 96154609 TUINKQNYKJDCTI-UHFFFAOYSA-N 425.558 3.766 0 40 IHAB O=C(NCc1ccccc1)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CCC2 102339379 YSXAHZNACLAKRF-LNMJFAINSA-N 436.533 3.628 0 40 IHAB O=C(COC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 108194016 SUTMJBHASYSXCU-QGZVFWFLSA-N 442.320 3.573 0 40 IHAB COc1cccc(-c2noc(CNC(=O)COc3ccc(Br)c(C)c3)n2)c1 218830648 GVXLZCQFIMBAEN-UHFFFAOYSA-N 432.274 3.511 0 40 IHAB COc1ccc2c(c1)[C@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl)CC(C)(C)O2 219286610 QOLXWWTZVRRAMJ-QGZVFWFLSA-N 438.933 3.752 0 40 IHAB CN(c1ccc(F)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)OCO3)c1 224169518 IJHQTAVGDKVNQW-UHFFFAOYSA-N 428.441 3.632 0 40 IHAB CCCSc1nnc(NC(=O)[C@@H](CC)N(c2ccc(C)c(C)c2)S(C)(=O)=O)s1 224181895 XLVHGUYDYAOQAB-OAHLLOKOSA-N 442.632 3.840 0 40 IHAB CCOC(=O)N1CCN(C(=O)c2ccc(OCC)c(COc3ccccc3C)c2)CC1 224377613 NSCZSHYVHGIFQN-UHFFFAOYSA-N 426.513 3.887 0 40 IHAB CCOC(=O)CN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(OC)c(C)c1 224653986 AUGCVOGHOKPWGW-UHFFFAOYSA-N 431.432 3.781 0 40 IHAB COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1cc(C(C)C)c(OC)cc1C 224940513 KDFGNOWQGJBGPS-UHFFFAOYSA-N 437.514 3.732 0 40 IHAB COc1cc(OC)cc(OCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)C)c1 225548902 ONHJTCBFVSUSGE-INIZCTEOSA-N 448.947 3.678 0 40 IHAB COc1cc(S(=O)(=O)N2CCN(c3cccc(Cl)c3Cl)CC2)c(OC)cc1C 231425996 CLYZPZBTVFAMTI-UHFFFAOYSA-N 445.368 3.830 0 40 IHAB COc1cccc2c1OC(C)(C)[C@H]1CC3(CCN(C(=O)c4cncc(O)c4)CC3)CO[C@H]21 257323620 WLCVMAMYXADNLA-PZJWPPBQSA-N 438.524 3.967 0 40 IHAB Cc1ccc(N([C@H](C)C(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)S(C)(=O)=O)cc1 260453263 HLOVIYFCDCERIX-XLIONFOSSA-N 430.570 3.877 0 40 IHAB CC(C)CN1CCC2(CCCN(C(=O)Nc3ccccc3)[C@H]2CNC(=O)N(C)C)CC1 306137609 RBIFINZNSGHTFA-NRFANRHFSA-N 429.609 3.692 0 40 IHAB O=C(NCCN1CCCCC1)c1nc([C@@H]2CCCN2C(=O)c2ccccc2)n2ccccc12 306141180 VNLUUPZEMPZRKE-QFIPXVFZSA-N 445.567 3.527 0 40 IHAB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(OC)c(Cl)c2)c(Cl)c1 408555218 FJFUFGPVAPCDMH-UHFFFAOYSA-N 447.340 3.708 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(CC)cc3)C2)cc1C 408558769 SYKFBJPEPSKHKJ-LJQANCHMSA-N 430.570 3.996 0 40 IHAB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1cccs1 408656520 SVDVEJBYQCOCFS-HZPDHXFCSA-N 430.913 3.817 0 40 IHAB Cc1ccc(C)c(N2C[C@H](C(=O)OCC(=O)Nc3ccccc3C(F)(F)F)CC2=O)c1 408657820 PKHMSQBDFOLCKV-OAHLLOKOSA-N 434.414 3.857 0 40 IHAB CCCCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1 409058765 LAOVLAMDYYGWCJ-UHFFFAOYSA-N 431.396 3.689 0 40 IHAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)ccc1OC 409363208 VBSFLRSSKWRSEN-XDHOZWIPSA-N 442.493 3.778 0 40 IHAB Cc1cc(-n2nc3ccc(N)c(Br)c3n2)c(C)cc1I 575414772 HNYSQBOOVRGAMD-UHFFFAOYSA-N 443.086 3.987 0 40 IHAB CCCN1CCN(C(=O)C2CCNCC2)C[C@@H](Cc2cccc(-c3cccc(C)c3)c2)C1=O 585172736 CXISGXJLIJVTOY-AREMUKBSSA-N 447.623 3.901 0 40 IHAB CN(CCc1ccccc1)[C@H]1[C@H](NC(=O)OC(C)(C)C)C[C@@H](Oc2ccccc2)[C@@H]1O 585262260 BAGGTXOVEUDTGE-LUKWVAJMSA-N 426.557 3.635 0 40 IHAB Cc1oc2ccc(NS(=O)(=O)c3ccc4c(c3)oc(=O)n4C)cc2c1C(=O)OC(C)C 1320757 VHUABPXOXPCIBH-UHFFFAOYSA-N 444.465 3.552 0 40 IHAB Cn1nc(C(F)(F)F)c(COC(=O)C2CC2)c1S(=O)(=O)Cc1ccccc1Cl 1391512 VYEALHWNAMDPER-UHFFFAOYSA-N 436.839 3.519 0 40 IHAB CCOc1cc2nc(-c3ccc(OC)c(OC)c3)nc(N3CCOCC3)c2cc1OC 2214356 GXIYXTKEJHCQKQ-UHFFFAOYSA-N 425.485 3.558 0 40 IHAB C[C@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2c(Cl)cccc2Cl)o1 2398633 KJIZYRGTUUBWIE-VIFPVBQESA-N 436.317 3.936 0 40 IHAB Cc1ccc([C@]2(C(F)(F)F)N=C3Sc4cc(S(C)(=O)=O)ccc4N3C(=O)N2)cc1 3189317 UIUBOYHATMFTLG-QGZVFWFLSA-N 441.456 3.805 0 40 IHAB COc1ccc(Cl)cc1NC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 3220455 NTYIJLVVKRFOEI-UHFFFAOYSA-N 449.894 3.783 0 40 IHAB O=C(CSc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12)NC1CCCCCC1 3302088 YFITVYJDATUKSK-UHFFFAOYSA-N 447.564 3.965 0 40 IHAB C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)C1=O 3595004 YOVAKIDFEUXRFV-AVRDEDQJSA-N 446.334 3.954 0 40 IHAB CCn1cc(C(=O)OCC(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)c(=O)c2ccc(C)nc21 4195269 SUJVYXLEROJSQA-WRWLIDTKSA-N 428.529 3.886 0 40 IHAB CN(C)S(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)c1 6134888 KEEOIRIOLDDHSR-QFIPXVFZSA-N 448.548 3.527 0 40 IHAB Cc1ccc(N(C(=O)c2ccccc2)[C@H]2CS(=O)(=O)C[C@H]2OC(=O)c2ccccc2)cc1 6142359 BUJCHVLKNJBRLM-XZOQPEGZSA-N 449.528 3.664 0 40 IHAB CCn1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1cccc(Cl)c1C 6878430 IJFNMHBEIJETEP-UHFFFAOYSA-N 433.921 3.514 0 40 IHAB Cc1c(-c2nc(-c3ccc4c(c3)OCO4)no2)nnn1-c1ccc(Br)cc1F 8673322 FEMRQBOWZNQQFX-UHFFFAOYSA-N 444.220 3.923 0 40 IHAB CC(=O)c1cccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1 8826193 LAYWIUSLNJVOMF-UHFFFAOYSA-N 428.432 3.545 0 40 IHAB O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)Nc1ccccc1C(=O)NC1CC1 8966177 LJWRQZKQAWOIDJ-UHFFFAOYSA-N 433.537 3.768 0 40 IHAB CCn1c(S[C@H](C)C(=O)Nc2nccs2)nnc1[C@@H](C)NC(=O)c1ccccc1F 9263340 SPRCXLFEUAZYQX-VXGBXAGGSA-N 448.549 3.504 0 40 IHAB O=C(/C=C/c1ccc(-c2ccccc2F)o1)N1CCN(S(=O)(=O)c2cccs2)CC1 9594140 KRBXLICSRYMOPX-CSKARUKUSA-N 446.525 3.694 0 40 IHAB COc1ccc(NC(=O)CSc2ccc3nnc(-c4cccs4)n3n2)c(OC)c1 9599782 TWTCQQYGKUYZGC-UHFFFAOYSA-N 427.511 3.601 0 40 IHAB C[C@@H](C(=O)Nc1ccc(Br)cc1F)N(c1ccc(F)cc1)S(C)(=O)=O 9699562 CWBAEPVGFCJJPD-JTQLQIEISA-N 433.274 3.521 0 40 IHAB Cc1c(C)n2c3c(=O)n(Cc4ccccc4Cl)c(=O)n(C)c3nc2n1C1CCCC1 10103041 WMLIXLCPJYHKGS-UHFFFAOYSA-N 425.920 3.583 0 40 IHAB O=C(CNC(=O)c1ccc(F)cc1F)OCc1nc(-c2cccc(C(F)(F)F)c2)no1 11418218 ISDRXMIVCBFYAZ-UHFFFAOYSA-N 441.312 3.507 0 40 IHAB COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(C)c(F)c3)n2)cc1OC 11693363 PEVSHRZHDIFOON-UHFFFAOYSA-N 425.460 3.794 0 40 IHAB COc1ccccc1C(=O)N1CCC(O)(Cn2cc(C)cc3cc(C(F)(F)F)nc2-3)CC1 12182334 ZFNYXWIGLGSDIW-UHFFFAOYSA-N 447.457 3.991 0 40 IHAB Cc1cc(N2CCCC2=O)ccc1S(=O)(=O)NC[C@H](C)OC12CC3CC(CC(C3)C1)C2 12445971 HMPSVTMBINGFJC-QZGUCNERSA-N 446.613 3.774 0 40 IHAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCCC[C@@H]1c1nc3ccccc3s1)C2=O 12680744 XROQYLQZQPBBHA-QDOIMOTRSA-N 440.569 3.851 0 40 IHAB COc1ccc(OCCOC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1 12903372 XITGXAXPKOLRCB-VBSWXYJSSA-N 427.541 3.825 0 40 IHAB CN(C(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1)c1ccccc1 12978980 UHETXJHWMLFMLC-UHFFFAOYSA-N 442.459 3.649 0 40 IHAB Cc1ccc2nc(C)c(C(=O)N3CCN(S(=O)(=O)c4cccc(Cl)c4)CC3)cc2c1 12992105 UICNSGUCBSXHHK-UHFFFAOYSA-N 443.956 3.652 0 40 IHAB CC(C)CCNC(=O)[C@H](c1ccco1)N(Cc1ccco1)C(=O)Cn1nnc2ccccc21 13031308 QQAVUKONJXQJEY-QHCPKHFHSA-N 449.511 3.550 0 40 IHAB Cc1ccc(OCC(=O)Nc2ccccc2C(=O)NCc2ccc3c(c2)OCO3)cc1C 13095777 SKGMKGWFPDTEGT-UHFFFAOYSA-N 432.476 3.980 0 40 IHAB O=C(CN1c2cccc3cccc(c23)S1(=O)=O)Nc1ccc(Br)cc1F 13130049 ZQHBCRAQZUAJNK-UHFFFAOYSA-N 435.274 3.889 0 40 IHAB CN(CCOc1ccccc1)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 13138288 YEMRSMKGAGDYJI-UHFFFAOYSA-N 436.961 3.666 0 40 IHAB CN(Cc1ccccc1)S(=O)(=O)c1nnc(NC(=O)C23CC4CC(CC(C4)C2)C3)s1 13370290 ZAYZZYRWWUVXKA-UHFFFAOYSA-N 446.598 3.514 0 40 IHAB Cc1csc(NC(=O)CCC(=O)N(CC(=O)NC2CCCCC2)c2cccc(F)c2)n1 13509542 BMDKYKNLPSFADO-UHFFFAOYSA-N 446.548 3.791 0 40 IHAB CCN(CC)Cc1nc2sc(C)c(C)c2c(=O)n1CC(=O)N1CCc2ccccc2C1 14142413 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Cc1cc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc(S(N)(=O)=O)c1C 19600331 GNONXUHMLIXYMP-HNNXBMFYSA-N 429.567 3.580 0 40 IHAB Cc1nc(CN(C)C(=O)CCCc2ccccn2)nc2c1CCC(=O)N2Cc1ccccc1 19698586 IQNDTJVWKHVKQR-UHFFFAOYSA-N 443.551 3.641 0 40 IHAB COc1ccc([C@@H](CNC(=O)c2ccc(C(=O)c3ccccc3)cc2)N2CCOCC2)cc1 23908037 CZMMLERPUYBSIQ-RUZDIDTESA-N 444.531 3.730 0 40 IHAB CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@H](CN2CCOCC2)c2ccccc2)cc1 24208062 PLZIBLXXWWXLER-OAQYLSRUSA-N 425.529 3.837 0 40 IHAB CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 25956355 CACFMTIMCKDEGP-SQJMNOBHSA-N 446.576 3.952 0 40 IHAB O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)C1 27243152 DCVGFIRNEIHSPF-FQEVSTJZSA-N 434.540 3.808 0 40 IHAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@H](c1ccc(OCC(C)C)cc1)SCC(=O)N2 31807194 OYOZGRQDPBOSLM-IBGZPJMESA-N 449.540 3.657 0 40 IHAB COc1ccc2nc(NC(=O)c3nn(C)c4c3Cc3cc(OC)c(OC)cc3-4)sc2c1 31814968 CPYQMIKLQFCDOR-UHFFFAOYSA-N 436.493 3.879 0 40 IHAB COc1ccccc1OC[C@@H](O)Cn1c([C@H]2CC(=O)N(C(C)(C)C)C2)nc2ccccc21 31903680 SUMCGQVPDFNNRY-ROUUACIJSA-N 437.540 3.599 0 40 IHAB Cc1nc(C(=O)Nc2nc3cc4c(cc3s2)OCCCO4)nn1-c1ccc(F)cc1 32808760 HBLXNZHQAXNEJP-UHFFFAOYSA-N 425.445 3.738 0 40 IHAB CNC(=O)C1CCN(c2nc(C)nc3scc(-c4ccc(OC)c(OC)c4)c23)CC1 32857662 VGFRDHABGBYLAU-UHFFFAOYSA-N 426.542 3.646 0 40 IHAB O=C(COc1ccccc1CNC(=O)c1cc2cc(Cl)ccc2o1)NC[C@H]1CCCO1 32937033 JVPKFBJSDGYVLO-GOSISDBHSA-N 442.899 3.690 0 40 IHAB CNC(=S)N1CCc2cc(OC)c(OC)cc2[C@H]1c1cc2c(C)ccc(C)c2[nH]c1=O 35313558 MPPVOXJOBZLTTJ-QFIPXVFZSA-N 437.565 3.614 0 40 IHAB CCCn1c(=O)c2ccc(Cl)cc2n2c(=O)n(CC(=O)c3c(C)[nH]c4ccccc34)nc12 35399608 IPOADAIVHLAGRP-UHFFFAOYSA-N 449.898 3.547 0 40 IHAB CC(=O)c1ccc(OCC(=O)Nc2ccccc2S(=O)(=O)N(C)C2CCCCC2)cc1 35567995 QWYGTFGLLUCHRB-UHFFFAOYSA-N 444.553 3.860 0 40 IHAB Cc1cccc(NC(=O)N2CCC[C@H](C(=O)N[C@@H](c3ccccc3)c3nccn3C)C2)c1 40150803 BMUAHIMZSQCWRJ-UNMCSNQZSA-N 431.540 3.878 0 40 IHAB COC(=O)c1cc(CN(C)C(=O)c2cccc(NC(=O)[C@H]3Cc4ccccc4O3)c2)oc1C 48262067 TUXHZZROGGMSMM-JOCHJYFZSA-N 448.475 3.589 0 40 IHAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)N[C@H](C)c1ccccc1Br 58160759 QHMKXIMZJZEZJB-CVEARBPZSA-N 432.362 3.860 0 40 IHAB COc1cccc(-n2ccn3c(SCC(=O)c4cc(C)c(C)cc4C)nnc3c2=O)c1 64593639 RBOQPGPWEIHHML-UHFFFAOYSA-N 434.521 3.789 0 40 IHAB Cc1ccc(NC(=O)CSc2nc(O)c3c(n2)CCN(Cc2ccc(F)cc2)C3)cc1 67291477 ZTYYIBBXAOBVER-UHFFFAOYSA-N 438.528 3.919 0 40 IHAB Cc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccccc3Br)c2C)c(C)c1 67322343 UNXGQXFSJIQUGU-UHFFFAOYSA-N 442.317 3.857 0 40 IHAB CCN1CC[C@@]2(CCC1=O)C[C@H](NC(=O)CCn1ncc3ccccc31)c1ccccc1O2 72327831 LJJIACRSOUJVMC-LVXARBLLSA-N 446.551 3.838 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@H](c3cc(C(F)(F)F)n4nc(C)cc4n3)C2)cc1 72340898 OSTOWVLRTAWRLG-HNNXBMFYSA-N 438.475 3.933 0 40 IHAB CCn1ncc(S(=O)(=O)N2CCC[C@@H](c3cccc(-c4ccccc4F)n3)C2)c1C 72350172 SZJNULJJUNBGGD-QGZVFWFLSA-N 428.533 3.981 0 40 IHAB O=C1NCCN(C(=O)CCCOc2ccccc2F)[C@H]1Cc1cccc(-c2cccnc2)c1 72351711 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AKAYPIDRTLEPOA-UHFFFAOYSA-N 444.509 3.678 0 40 IHAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN1C(=O)c2cccc3cccc1c23 223866405 MKGOMZBFVKWFKT-QGZVFWFLSA-N 447.510 3.883 0 40 IHAB CC[C@H](NS(=O)(=O)c1cc(Br)ccc1OC)c1ccc(OC)c(OC)c1 223873414 AENNQLBYQPNZTK-AWEZNQCLSA-N 444.347 3.905 0 40 IHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(OC)c(COCC(C)C)c1 224455258 IBDBEEUVHJRXIM-UHFFFAOYSA-N 431.485 3.924 0 40 IHAB COc1cccc(NC(=O)c2ccc(OC)c(CN(C)S(=O)(=O)c3ccccc3)c2)c1 224770122 ISIGXJXRGKWKCV-UHFFFAOYSA-N 440.521 3.777 0 40 IHAB CC(C)CSc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)s1 224889198 XNURIZBFILTKMN-UHFFFAOYSA-N 440.616 3.713 0 40 IHAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1cc(OC)cc(OC)c1 225039802 BPXVAMDPLWDQHK-OALUTQOASA-N 442.556 3.723 0 40 IHAB COc1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)C)cc1OC 225590409 HEVXBHLZRXFDRD-QGZVFWFLSA-N 430.520 3.717 0 40 IHAB CC[C@@H]1CCCCN1CCCNS(=O)(=O)c1ccc(SC)c(NC(=O)C(C)C)c1 225755166 PHCYKDNDBHQCIR-QGZVFWFLSA-N 441.663 3.936 0 40 IHAB O=C1CC2(CCN(S(=O)(=O)c3ccccc3)CC2)Oc2cc(C(F)(F)F)ccc21 225822681 DSWKFIPDJKHJLU-UHFFFAOYSA-N 425.428 3.894 0 40 IHAB COc1cccc2cc(CN3CC[C@H](c4nc(N(C)C)ncc4-c4cncnc4)C3)oc12 257211412 BYTYBYOAXVRFKM-KRWDZBQOSA-N 430.512 3.744 0 40 IHAB CC(C)(Cc1ccccc1)NC(=O)CN1CCC[C@@](O)(COc2ccccc2F)CC1 257235989 HAJWFGGZKLZGBC-VWLOTQADSA-N 428.548 3.559 0 40 IHAB COc1ccc(OC)c(NC(=O)COC(=O)CCC(=O)Nc2cccc3ccccc23)c1 408666292 YATOWCBODZJZHA-UHFFFAOYSA-N 436.464 3.758 0 40 IHAB COc1cccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(C)cc2)c1 409054503 ASZRSARRRZTDBU-LMOLPZMTSA-O 448.930 3.673 0 40 IHAB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc4c(cc3C)OCO4)C2=O)cc1 409104764 FJJQBELQHFFVIK-VXLYETTFSA-N 440.477 3.797 0 40 IHAB COC(=O)CN1C(=O)/C(=C/c2ccc(OCc3ccccc3F)c(Cl)c2)N(C)C1=S 409218914 YGSXFRBSJHNPKB-YVLHZVERSA-N 448.903 3.631 0 40 IHAB C[C@H](Nc1ccc2nnc(-c3ccccc3F)n2n1)c1ccc(OCC(=O)NC2CC2)cc1 511736449 VRADPBHGGWLDRY-HNNXBMFYSA-N 446.486 3.761 0 40 IHAB CC[C@H]1C[C@H](C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)CC(=O)N1 541703563 BWLIIWMUKAKGQF-HOCLYGCPSA-N 449.960 3.693 0 40 IHAB C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)c1cncc(C(=O)N[C@H]2c3ccccc3O[C@H]2C)c1 564685683 MDGWHMVIQMDVTB-HXJYVALZSA-N 429.476 3.586 0 40 IHAB O=S(=O)(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)c1c[nH]c(C(F)(F)F)c1 1117684615 QEUJZXAZOGYUIJ-UHFFFAOYSA-N 426.298 3.903 0 40 IHAB CO[C@@H]1CCN2C[C@@H]1CCCCN(Cc1ccncc1C)CCOc1cccc(c1)C2=O 2037978439 WHKYXXYNSPSFLV-UKILVPOCSA-N 437.584 3.932 0 40 IHAB CCOC(=O)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)n1-c1ccc(C)cc1 649417 IFJIGWNFIKTEJN-UHFFFAOYSA-N 443.525 3.924 0 40 IHAB CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1cc(OC)ccc1OC 908389 YEPNMFMZBBSCBN-UHFFFAOYSA-N 428.514 3.625 0 40 IHAB C[C@@H]1CCCN(C(=O)c2cccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)c2)C1 959960 GLPGLHJYWGSTEW-MRXNPFEDSA-N 437.927 3.990 0 40 IHAB O=C1OCC2=C1[C@@H](c1ccc3c(c1)OCO3)CC(=O)N2c1cccc(Br)c1 1427607 DVXXHNKGGJVETN-CQSZACIVSA-N 428.238 3.509 0 40 IHAB CCOC(=O)COc1ccc2c(-c3cc4cccc(OC)c4oc3=O)cc(=O)oc2c1C 2117912 ZDXMPSDIDSYDBU-UHFFFAOYSA-N 436.416 3.825 0 40 IHAB biogenic COC(=O)c1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1 2377510 HMZLCJODXXJYBF-LAUBAEHRSA-N 433.460 3.612 0 40 IHAB COc1ccc(Br)c(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c1 3549768 JLHFKDZOKWTKNX-UHFFFAOYSA-N 441.328 3.723 0 40 IHAB CCCOC(=O)c1cc(NC(=O)COc2cccc(C)c2C)ccc1N1CCOCC1 4749060 NQHQQENQLGSOPC-UHFFFAOYSA-N 426.513 3.724 0 40 IHAB CCN(CC)CCNC(=O)c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1 6213729 FAMIEGBCSBBETC-UHFFFAOYSA-N 425.554 3.712 0 40 IHAB CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1cn(CC(=O)NC2CC2)c2ccccc12 6287770 NUBKUYPBMMCUSI-BKUYFWCQSA-N 430.533 3.524 0 40 IHAB CCCOC(=O)c1ccc(N2C[C@@H](C(=O)O[C@@H](CC)C(=O)c3ccccc3)CC2=O)cc1 8383862 BKQMFWSCFAJACA-FPOVZHCZSA-N 437.492 3.811 0 40 IHAB O=C(COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)Nc1ccc(Cl)cc1 9055754 NDVWCFOSWDQSQE-UHFFFAOYSA-N 434.835 3.936 0 40 IHAB CCOc1ccc([C@@H]2Nn3c(CC)nnc3S[C@@H]2C(=O)Nc2ccccc2OC)cc1 9197830 SVAGAMPOVJOGDS-PMACEKPBSA-N 439.541 3.646 0 40 IHAB CCn1c(CC(=O)Nc2ccc(OC)cc2)nnc1SCC(=O)c1ccc(F)cc1 9263639 LWNBEPMXLZSGNO-UHFFFAOYSA-N 428.489 3.602 0 40 IHAB CCOC(=O)COc1ccccc1/C=C1\SC(=O)N(CCOc2ccccc2)C1=O 9295960 MTQOLMVRIXTFDX-RGEXLXHISA-N 427.478 3.744 0 40 IHAB COCCn1c(Cc2ccccc2)nnc1SCC(=O)c1[nH]c(C)c(C(C)=O)c1C 9509080 FTTQWMONHNJQNX-UHFFFAOYSA-N 426.542 3.638 0 40 IHAB CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cccc(CS(C)(=O)=O)c1 9672116 FCLUUEHTAHQJIR-UHFFFAOYSA-N 447.944 3.985 0 40 IHAB COc1ccc(Cn2nnnc2SCC(=O)N[C@@H](C)c2ccc3ccccc3c2)cc1 9885132 JFKFUJIATKQFOS-INIZCTEOSA-N 433.537 3.853 0 40 IHAB O=C(COC(=O)Cc1c(F)cccc1Cl)Nc1ccccc1I 9962986 OKJFJXPHGYSLAZ-UHFFFAOYSA-N 447.631 3.808 0 40 IHAB COc1ccc(-c2csc3ncn(CC(=O)N4CCCCCC4)c(=O)c23)cc1OC 9970898 IOHBWEXJPFLPCB-UHFFFAOYSA-N 427.526 3.545 0 40 IHAB Cc1ccccc1N(CC(=O)NCCCN1CCCCCC1)S(=O)(=O)c1ccccc1 10111124 HPEHXOJHSAVMPG-UHFFFAOYSA-N 443.613 3.573 0 40 IHAB COC(=O)c1ccc2c(=O)n(CC(C)C)c(SCC(=O)N[C@@H](C)CCC(C)C)nc2c1 10438069 CTOGQZHQFZNHRC-INIZCTEOSA-N 447.601 3.872 0 40 IHAB COc1ccc(NC(C)=O)cc1NC(=O)CCn1c(-c2ccc(C)cc2)n[nH]c1=S 11658388 QZSJVLUIWAIWON-UHFFFAOYSA-N 425.514 3.912 0 40 IHAB Cn1/c(=N\C(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)sc2ccccc21 11726412 WEKHQKQHMONUAF-QURGRASLSA-N 429.567 3.546 0 40 IHAB COc1ccccc1N1CCN(C(=O)c2cccc(OCc3cn4ccccc4n3)c2)CC1 12547927 UEVJHOIPEGUJMZ-UHFFFAOYSA-N 442.519 3.884 0 40 IHAB CC(=O)c1ccc(N2CCN(C(=O)C[C@@H]3Sc4ccc(Cl)cc4NC3=O)CC2)cc1 12555589 HJVZLQKCCPVOAX-FQEVSTJZSA-N 443.956 3.694 0 40 IHAB COc1ccc(Cl)cc1-c1n[nH]c(SCc2nc(N)nc(Nc3ccccc3)n2)n1 12784197 OSWFPUIBFKGJMP-UHFFFAOYSA-N 440.920 3.937 0 40 IHAB CS(=O)(=O)c1cccc(NC(=O)CN2CCc3sccc3[C@H]2c2cccs2)c1 12886034 HYHFCYZHCBKWAW-FQEVSTJZSA-N 432.592 3.799 0 40 IHAB CSc1ccccc1NC(=O)[C@@H](C)OC(=O)[C@@]12CCC(=O)N1c1ccccc1S2 12908928 WMVKWXJUXYHQAD-ASSNKEHSSA-N 428.535 3.908 0 40 IHAB COC(=O)c1cccc2c1CCCN2C(=O)c1cc(OC)c(Br)c(OC)c1 12920848 SQKHERBHLXUPEK-UHFFFAOYSA-N 434.286 3.846 0 40 IHAB Cc1ccc([C@@H](CN2CCOCC2)NS(=O)(=O)c2c(Cl)cccc2Cl)cc1 12993415 VIZHRFUQZSFGIO-GOSISDBHSA-N 429.369 3.654 0 40 IHAB Cc1cc(CNC(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)ccc1F 13010420 ULCGPXYPBBUQDW-UHFFFAOYSA-N 431.316 3.812 0 40 IHAB CCc1ccc([C@@H](NC(=O)CN2CCN(C(=O)c3ccco3)CC2)c2cccc(F)c2)cc1 13114867 SRXLLFMIDNBXBK-RUZDIDTESA-N 449.526 3.645 0 40 IHAB O=C(CN1CCN(C(=O)c2ccccc2)CC1)Nc1ccc2c(c1)OC1(CCCCC1)O2 13128545 CACCORRZLUPQOJ-UHFFFAOYSA-N 435.524 3.515 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)c1c[nH]c2ccccc12 13149731 KJYNFVFWESXANW-UHFFFAOYSA-N 427.526 3.994 0 40 IHAB COc1ccc([C@@H]2SCC(=O)N2CCN2C(=O)CS[C@@H]2c2ccc(OC)cc2)cc1 13389011 MEIHFWBAEBWTRG-SZPZYZBQSA-N 444.578 3.552 0 40 IHAB COc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCc3ccccc3C2)cc1OC 13496235 DTUGKIKZMXZHQH-RUZDIDTESA-N 441.535 3.886 0 40 IHAB Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccco3)C(=S)NC[C@H]3CCCO3)cc12 13570811 QLLXMRBGMKJIMC-GOSISDBHSA-N 425.554 3.794 0 40 IHAB CC(=O)Nc1ccc(S(=O)(=O)Nc2cnn(Cc3ccc(Cl)cc3Cl)c2)cc1 14224617 QXJAPGLJRNAFIB-UHFFFAOYSA-N 439.324 3.997 0 40 IHAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(OCc2csc(C)n2)cc1 14932431 WRHVAYBLEKLFBC-UHFFFAOYSA-N 434.521 3.929 0 40 IHAB Cc1ccccc1-c1nc2scc(CCNS(=O)(=O)c3cccc(Cl)c3)n2n1 15783914 IFYALPBTRZSFAM-UHFFFAOYSA-N 432.958 3.941 0 40 IHAB COc1ccccc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 17097995 NIKUQRFDOCPUPO-UHFFFAOYSA-N 432.523 3.605 0 40 IHAB COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1cccc(C(=O)O)c1C 17101136 JFVCTGSBZNUCOU-UHFFFAOYSA-N 437.315 3.900 0 40 IHAB COc1cccc(N(C(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c2nc3ccccc3s2)c1 18192850 GDKOTNQVBOOKBC-QZTJIDSGSA-N 447.516 3.921 0 40 IHAB COc1cc(CN2CCc3c(nc(C(C)C)nc3N3CCCC3)C2)cc(OC)c1OC 19453607 QRKREHWOXFQAQG-UHFFFAOYSA-N 426.561 3.784 0 40 IHAB CN(C)C(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCCN(C(=O)c2cnccn2)C1 19579464 VUNDHCFUIBXSJT-DEOSSOPVSA-N 434.565 3.758 0 40 IHAB Cc1ncccc1C(=O)N1CCC[C@H]1c1nc(O)c2c(n1)CCN(C1CCC(C)CC1)C2 19582882 BNXWNKYCGMKCTN-QRFVXNFXSA-N 435.572 3.800 0 40 IHAB Cc1nc([C@@H]2CCCN2C(=O)COc2ccccc2)ncc1C(=O)Nc1ccc(F)cc1 19755473 COWGMCHNAWLJTO-NRFANRHFSA-N 434.471 3.919 0 40 IHAB COc1ccc(C(=O)Nc2cc(F)ccc2C)cc1S(=O)(=O)NCc1ccccc1 20024847 ZCHMFVHHAYXDCS-UHFFFAOYSA-N 428.485 3.874 0 40 IHAB COc1ccc(S[C@@H](C)C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1OC 20107339 GJTJOULNTAEYRJ-HOTGVXAUSA-N 444.553 3.732 0 40 IHAB Cc1nc(S[C@H](C)C(=O)N2CCN(c3ccccc3)CC2)n(C[C@@H]2CCCO2)c1C 20990497 WLUUINYZZOPGAS-CTNGQTDRSA-N 428.602 3.508 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)c2ccc(Cl)cc2Cl)cc1 22226985 WOHGIUJMAILVON-UHFFFAOYSA-N 429.369 3.996 0 40 IHAB CS(=O)(=O)N(CC(=O)N[C@@H]1CCCc2ccccc21)c1ccc(Cl)cc1Cl 22366312 IQZVOVJEPDKLPQ-QGZVFWFLSA-N 427.353 3.953 0 40 IHAB COc1ccc(OC[C@@H](O)CN2CCN(c3ccccc3OC)CC2)c(C(C)(C)C)c1 22573500 HAEBTKYOWJXOKA-IBGZPJMESA-N 428.573 3.563 0 40 IHAB O=C(COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1ccc(F)c(F)c1 22715647 HVBSXDZHUWXVQF-UHFFFAOYSA-N 443.372 3.777 0 40 IHAB CCC(C)(C)n1nnnc1[C@@H](c1ccc(OC)cc1)N1CCN(Cc2ccccc2)CC1 22928783 FZZXFAMQQUAKCW-HSZRJFAPSA-N 434.588 3.734 0 40 IHAB Cc1ccc(C(=O)Nc2c3c(nn2CC(=O)NCc2ccc(F)cc2)CSC3)cc1C 23139637 WTDVVSNRCYVELL-UHFFFAOYSA-N 438.528 3.955 0 40 IHAB [O-][n+]1ccccc1SCc1nc(O)c2cc(Br)cc(Br)c2n1 23515397 YGVGSQDKAKVJRO-UHFFFAOYSA-N 443.120 3.786 0 40 IHAB Cc1ccccc1-n1ccnc1S[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 24525642 ZUURBFWRTYBOBM-MRXNPFEDSA-N 444.582 3.550 0 40 IHAB CC1=NN(c2ccccc2)C(=O)[C@]12Cc1cc(Br)ccc1N1CCN(C)C[C@H]12 25184535 BFOGSGSBDUJOMY-RBBKRZOGSA-N 439.357 3.535 0 40 IHAB biogenic COc1cccc(-n2c(SCC(=O)NCc3ccc(C)cc3)nnc2-n2cccc2)c1 28534816 UMJJILNCDCCXJG-UHFFFAOYSA-N 433.537 3.784 0 40 IHAB COc1ccc(CN(C(=O)Cc2cc3c(cc2Br)OCCO3)C2CC2)cc1 32740922 PKTVJXRLDHNEKY-UHFFFAOYSA-N 432.314 3.963 0 40 IHAB O=c1oc2ccccc2n1CCSc1nnc(CN2CCCCC2)n1-c1ccccc1 32777008 TTXQPDDWCICALW-UHFFFAOYSA-N 435.553 3.953 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)c(F)c2F)Cc2ccco2)cc1 32957821 ASUFIAJKDBILGL-UHFFFAOYSA-N 438.427 3.835 0 40 IHAB O=C(NCCc1ccccc1)[C@H](c1cccnc1)N(C(=O)c1csnn1)c1ccccc1 35291906 YIQCMKMXFGMTMU-QFIPXVFZSA-N 443.532 3.680 0 40 IHAB COc1ccc(OC[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2cccnc2)cc1 35598298 UDYPFHSVOWZMON-JOCHJYFZSA-N 434.492 3.926 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(c3nc(-c4ccc(C)cc4)no3)CC2)cc1F 35671862 SHDCCNKJNBCGKL-UHFFFAOYSA-N 431.489 3.761 0 40 IHAB CCn1ncc(-c2noc3nc(C4CC4)cc(C(=O)NCCC4CCN(C)CC4)c23)c1C 36619497 UKSNXNKLVALJRI-UHFFFAOYSA-N 436.560 3.754 0 40 IHAB Cc1cc(C)cc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccc(Cl)cc4)[nH]c(=O)c32)c1 40399261 NGKGJZLYQJWIJL-MRXNPFEDSA-N 437.887 3.848 0 40 IHAB Cc1cc2nc(COC(=O)c3ccccc3NC(=O)c3ccc(Cl)cc3)cc(=O)n2o1 41076594 QOKOVYKLRYLUJJ-UHFFFAOYSA-N 437.839 3.859 0 40 IHAB COc1ccccc1[C@@H](NC(=O)[C@H]1CC(=O)N(c2cccc(C(C)C)c2)C1)c1nccn1C 48234405 AIEIXTDSTJWVLT-YADARESESA-N 446.551 3.811 0 40 IHAB COc1cc(N2C(=O)C[C@@H](c3ccc(F)cc3)c3sc(=O)n(C)c32)cc(OC)c1OC 49549145 OLIGCLYKELYSNW-HNNXBMFYSA-N 444.484 3.812 0 40 IHAB Cc1cccc(NC(=O)CN2CCN(C(=O)c3ccc(COc4ccccc4)o3)CC2)c1C 57381108 IDEONCSVLBJGPV-UHFFFAOYSA-N 447.535 3.872 0 40 IHAB CCN(Cc1ccccc1)C(=O)Cn1nc(-c2ccc(Br)cc2)ccc1=O 57427379 WVCYMIFEPIBHJP-UHFFFAOYSA-N 426.314 3.722 0 40 IHAB Cc1ccccc1-n1c(=O)c2sccc2n(CC(=O)Nc2cc(F)ccc2Cl)c1=O 57489876 WUGDHZQHRHUSPU-UHFFFAOYSA-N 443.887 3.954 0 40 IHAB CCN(CC)C(=O)c1cnc(N(C)C)nc1-c1ccc(CNC(=O)C2CCCCC2)cc1 57774259 LUGKJWVCSMJGCZ-UHFFFAOYSA-N 437.588 3.888 0 40 IHAB COCCn1cc(C(=O)NC[C@@H](c2ccc(OC)cc2)c2c[nH]c3ccccc23)ccc1=O 58061806 FSHLRFGTJZEPSA-QFIPXVFZSA-N 445.519 3.547 0 40 IHAB CCOC(=O)c1ccc(NC(=O)Cn2c(C(F)(F)F)nc3cc4c(cc32)OCCO4)cc1 64814437 NYONOLGSQLGKHZ-UHFFFAOYSA-N 449.385 3.642 0 40 IHAB O=C(CCNC(=O)c1ccsc1)N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 69948246 VBPIIVWVRVUPSV-FQEVSTJZSA-N 436.512 3.915 0 40 IHAB CCOCCCC(=O)Nc1ccc(-c2sc(CC(N)=O)cc2Br)cc1 72305553 QTGAGIYOTBBJTA-UHFFFAOYSA-N 425.348 3.961 0 40 IHAB Cc1ccc(CCNC(=O)c2cn(-c3ncccc3-c3nc(C(C)(C)C)no3)cn2)cc1 72328611 KEWWEGIMFSZXBS-UHFFFAOYSA-N 430.512 3.896 0 40 IHAB COc1ccc(-c2nnc3c4nnn(Cc5ccccc5)c4nc(C(F)(F)F)n23)cc1 72342245 JDYLRYVVUYDRDV-UHFFFAOYSA-N 425.374 3.612 0 40 IHAB Cc1nc([C@H]2CCCN2C(=O)CN2CCCCCC2)ncc1C(=O)Nc1ccc(F)cc1 72345378 IWGVZEADTLJPFI-OAQYLSRUSA-N 439.535 3.716 0 40 IHAB COCCNC(=O)c1sc2ccccc2c1[C@H]1CN(Cc2ccc(F)cc2)CCO1 72352517 PRYLMMBIKBEAHN-LJQANCHMSA-N 428.529 3.990 0 40 IHAB COc1ccccc1S(=O)(=O)N1CCC(c2ccc(Nc3ccc(F)cn3)cn2)CC1 72374338 OALNMJVVFLMTGU-UHFFFAOYSA-N 442.516 3.936 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@@H](c3ccnc(Nc4ncccc4C)n3)C2)cc1 72377738 DWJFIHPUSTWDNR-QGZVFWFLSA-N 439.541 3.501 0 40 IHAB Cc1ccc(-c2cccc(C[C@@]3(C(=O)N(C)C)CN(C(=O)c4cccnc4)CCO3)c2)cc1 72389151 JUNLYZYLSFTAEA-MHZLTWQESA-N 443.547 3.599 0 40 IHAB Cc1c(NC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C[C@@H]2C)c(=O)n(-c2ccccc2)n1C 84005336 BFPXGAFMOWOYNV-CVDCTZTESA-N 447.583 3.859 0 40 IHAB COC(=O)[C@H]1Oc2cc(C)oc(=O)c2[C@H]1c1cccc(OC)c1OCc1ccccc1F 85413606 GXQQVEWWWFSXQW-KNQAVFIVSA-N 440.423 3.741 0 40 IHAB CCC(=O)N1CCc2nc3cc([C@@H]4CCCCN4Cc4ccsc4)nn3c(O)c2C1 100233998 NIHRHOVCNLTRAS-IBGZPJMESA-N 425.558 3.518 0 40 IHAB Cc1ccc(C)c(C(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)c2)c1 100560990 GAEPJJNTDQBPND-DODAUVCRSA-N 429.472 3.655 0 40 IHAB C[C@H](OC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O)C(=O)c1ccccc1 100638064 VDRFPLUIQRTPGT-ASQAMIPNSA-N 441.483 3.672 0 40 IHAB CCCOC(=O)c1ccc(NC(=O)[C@H](CC(C)C)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 102588474 IQJTYTKCRBOFML-UFYCRDLUSA-N 426.513 3.558 0 40 IHAB COc1ccc(-c2noc(-c3cccc(N4C(=O)[C@@H]5[C@H]6CC[C@@H](C6)[C@H]5C4=O)c3)n2)cc1OC 102645512 PPTLNUMESRNWKF-BMHXQBNDSA-N 445.475 3.956 0 40 IHAB O=C1[C@@H]2[C@@H](c3ccc(Cl)cc3)N3CCCN3[C@H]2C(=O)N1c1ccccc1Br 102682969 QJCURQTXLXBLPY-KZNAEPCWSA-N 446.732 3.638 0 40 IHAB CCCNC(=O)[C@H]1CN(CC(=O)N[C@H](c2ccccc2)c2cccs2)c2ccccc2O1 103425053 XOPLEFXKOPWWSC-ZJSXRUAMSA-N 449.576 3.748 0 40 IHAB CCc1ccc(N([C@H](C)C(=O)Nc2cc(OC)c(Cl)cc2OC)S(C)(=O)=O)cc1 220279811 YVWKIUITBBGWNL-CYBMUJFWSA-N 440.949 3.713 0 40 IHAB CCOc1ccc(CNS(=O)(=O)c2ccc(OC)c(Br)c2)cc1OCC 223698607 AGYKIOKDLAVJCQ-UHFFFAOYSA-N 444.347 3.734 0 40 IHAB S=C(NCCCc1ccccc1)Nc1ncc(Br)nc1Br 223962674 KMPNFOLBPADZHE-UHFFFAOYSA-N 430.169 3.921 0 40 IHAB COC(=O)c1ccc(OC)c(NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c1 223998601 DFBMIYUMJIYXSV-UHFFFAOYSA-N 446.506 3.596 0 40 IHAB Cc1ccc(C)c(OCCNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)c1 224008890 QZUKZZFPVBIGRE-UHFFFAOYSA-N 436.961 3.550 0 40 IHAB CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CSCc1ccccc1 225442525 UYDFHQSJTHKEIE-HNNXBMFYSA-N 435.387 3.846 0 40 IHAB COc1ccccc1[C@@H](C)NS(=O)(=O)c1ccc(SC)c(C(=O)N2CCCC2)c1 225488542 WKLYTNBQNZGMIW-OAHLLOKOSA-N 434.583 3.693 0 40 IHAB CC[C@@H](NC(=O)CCc1cc(S(=O)(=O)N2CCCC2)ccc1OC)c1ccc(C)cc1 225871796 NTWGVYQDCZWEAB-JOCHJYFZSA-N 444.597 3.988 0 40 IHAB COc1cc(N2CCCCC2)nc(NC(=S)NCC2(c3ccccc3)CCOCC2)n1 225991955 VKOUGGIVDPSBMS-UHFFFAOYSA-N 441.601 3.510 0 40 IHAB CCN(CC)S(=O)(=O)N1CCO[C@@H](c2cc(Cc3cccc(Cl)c3)cc(C)n2)C1 257208894 BNYRLOLNGWFPLD-OAQYLSRUSA-N 437.993 3.594 0 40 IHAB Cc1nonc1COc1ccccc1C(=O)N1CCC2(CC1)C[C@@H](Oc1ccccc1)CO2 257237979 HJBUDIMNBXKRRQ-HXUWFJFHSA-N 449.507 3.800 0 40 IHAB Nc1cc(-c2cncnc2[C@H]2CCN(C(=O)CCCc3c[nH]c4ccccc34)C2)ccn1 257254085 KBNDWSKWLWUWEU-IBGZPJMESA-N 426.524 3.941 0 40 IHAB CCc1nnc(Nc2cc(C)nc([C@H]3CN(C(=O)Cc4ccc(F)cc4)CCO3)c2)s1 257272475 NCOCSQMVENJEQN-LJQANCHMSA-N 441.532 3.829 0 40 IHAB COCc1ccc(OC)c(CN2CCO[C@@H](c3ccc(Nc4nc(C)cc(C)n4)cn3)C2)c1 257293803 QRFLVRWAKDJFAK-XMMPIXPASA-N 449.555 3.961 0 40 IHAB COc1cccc(C(=O)N2CCO[C@@H](c3cc(Nc4nnc(C)s4)cc(C)n3)C2)c1 257321789 WDGAVQBZVJEEBU-LJQANCHMSA-N 425.514 3.516 0 40 IHAB COc1ccc(-c2nc([C@H]3CC[C@H](CNC(=O)[C@H]4CC=CCC4)CC3)[nH]c2C(N)=O)cc1 257323553 WKVQOWPBEOVDOR-WDSOQIARSA-N 436.556 3.931 0 40 IHAB CCc1ccccc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 408659759 MXGGTANOFHKKSG-HTUUBCJYSA-N 446.503 3.580 0 40 IHAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)N(C)Cc2ccccc2)CC1 408701334 WJCIJCGKFAGBQQ-UHFFFAOYSA-N 444.597 3.878 0 40 IHAB CCCCc1ccc(NC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 408703428 FVNQZHIIIRKKMG-INIZCTEOSA-N 432.542 3.594 0 40 IHAB Cn1c(CNC(=O)Cc2ccccc2)nnc1SCC(=O)Nc1cccc2ccccc12 409160773 XDAUKPANXVVEPT-UHFFFAOYSA-N 445.548 3.558 0 40 IHAB CCOc1cc(C(=S)N2C[C@H](C)O[C@H](C)C2)ccc1OCC(=O)Nc1ccccc1 409231011 HODBMBHFFMYNPT-CALCHBBNSA-N 428.554 3.888 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2SC)C1 409388573 DTKAHVGXDPZHQM-INIZCTEOSA-N 434.583 3.765 0 40 IHAB NC(=O)c1cccc(Oc2ccc(NC(=O)C[C@H](c3ccccc3)c3ncc[nH]3)cn2)c1 553084768 XXILEBGGWMEWJP-HXUWFJFHSA-N 427.464 3.857 0 40 IHAB O=C(COc1ccccc1)NCC(=O)Nc1nc(-c2ccccc2C(F)(F)F)cs1 605136227 YHDJBEVYZGGKQG-UHFFFAOYSA-N 435.427 3.963 0 40 IHAB CN(CC(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)C[C@@H]1CCn2ccnc2C1 685576697 ZEDCGZHDANEXID-NFBKMPQASA-N 441.579 3.807 0 40 IHAB Nc1c(C(=O)NC[C@H]2CCCO2)c2nc3ccccc3nc2n1Cc1ccccc1Cl 2195136 PHPLQFPFPFAINY-OAHLLOKOSA-N 435.915 3.777 0 40 IHAB CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccs3)o2)cc1 2494178 MIHYNNNZRUFMHZ-UHFFFAOYSA-N 434.543 3.861 0 40 IHAB COc1ccc(C(=O)Nc2nc3ccc(S(=O)(=O)N4CCCCC4)cc3s2)cc1 2694934 VQRFCLVYIPVEAY-UHFFFAOYSA-N 431.539 3.732 0 40 IHAB COc1ccccc1-c1nnc(SCC(=O)N(Cc2ccccc2)C(C)(C)C)n1N 3351648 CVZBTWHHDIJTTP-UHFFFAOYSA-N 425.558 3.587 0 40 IHAB O=C(COc1ccc(Br)cc1Cl)Nc1ccc(N2CCOCC2)cc1 3445059 TWUCMHJWFKCPDB-UHFFFAOYSA-N 425.710 3.957 0 40 IHAB COc1cccc(-n2c(SCC(=O)NCc3cccs3)nc3ccccc3c2=O)c1 3477884 UXOXIZFUVNFLRQ-UHFFFAOYSA-N 437.546 3.864 0 40 IHAB COC(=O)c1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(F)cc4)[C@@H]3C2=O)cc1 8735666 APARKEVXSWZVIP-BDTNDASRSA-N 446.434 3.663 0 40 IHAB Cc1ccc(N2C[C@H](C(=O)OCC(=O)c3cc(C)n(-c4nccs4)c3C)CC2=O)cc1 9125753 XGDPBZYKWRDJKA-QGZVFWFLSA-N 437.521 3.638 0 40 IHAB COc1ccc([C@H](CNC(=O)c2ccc3c(c2)NC(=O)CS3)N2CCCCC2)cc1 9126057 XNRGUBWPNQDPNR-FQEVSTJZSA-N 425.554 3.696 0 40 IHAB O=C(Cc1ccc2c(c1)OCCO2)OCc1cc(=O)oc2cc(Br)ccc12 9317022 FIZFBIOWLMHWHS-UHFFFAOYSA-N 431.238 3.613 0 40 IHAB COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3n[nH]c4ccccc34)ccc2C)cc1 9366914 UJBKGRNVZZTPII-UHFFFAOYSA-N 436.493 3.933 0 40 IHAB CCCn1c(=O)c2ccccc2n2c(S[C@H](C(=O)N3CCCC3)c3ccccc3)nnc12 9549465 IPORWYREOXEVML-FQEVSTJZSA-N 447.564 3.910 0 40 IHAB C[C@@H](Sc1nnc([C@@H](C)Oc2ccccc2F)o1)C(=O)NCc1ccc2c(c1)OCO2 9729689 TTWQVAVOMHZGOB-CHWSQXEVSA-N 445.472 3.874 0 40 IHAB O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)N[C@H](c1ccccc1)c1cccs1 9741082 RYWPCZIWHXOMTR-RCZVLFRGSA-N 445.544 3.737 0 40 IHAB CCCCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3cccc(OC)c3)nnc12 10052730 XQEOGHACNBMPHB-UHFFFAOYSA-N 437.525 3.584 0 40 IHAB COc1cn(CC(=O)Nc2cccc(C)c2C)c(CSc2nnc(C)s2)cc1=O 10254734 SKOBQCCUMOOYEO-UHFFFAOYSA-N 430.555 3.565 0 40 IHAB O=C(Cn1cc(C(F)(F)F)ccc1=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 10594981 YDHDLCIRJAYIIK-UHFFFAOYSA-N 427.378 3.864 0 40 IHAB CCOc1cc([C@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2CCCOC)ccc1O 11914911 MXCNQTZATOTCCI-QHCPKHFHSA-N 437.496 3.777 0 40 IHAB COc1ccc(N2C[C@@H](c3nc4ccccc4n3CC(=O)N3CCCCC3)CC2=O)cc1 12062075 QBOVCIXOVCIOPW-SFHVURJKSA-N 432.524 3.578 0 40 IHAB O=c1c2cnc3nc(-c4ccccc4Cl)nn3c2ccn1Cc1ccc2c(c1)OCO2 12409948 MRICLXRPHBIYEE-UHFFFAOYSA-N 431.839 3.537 0 40 IHAB O=C(NC1CCN(Cc2ccccc2)CC1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 12772106 VMQXKYIUDYVPFM-VAWYXSNFSA-N 431.580 3.719 0 40 IHAB Cc1cc(C(=O)CN2C(=O)N[C@]3(CCCCc4ccccc43)C2=O)c(C)n1C[C@H]1CCCO1 12854280 NXEMOFOAVWHRCX-IBVKSMDESA-N 449.551 3.640 0 40 IHAB CC1=CN2C(=NC(=O)C[C@@]2(C)C(=O)N(CC(=O)NC2CCCC2)c2cc(C)cc(C)c2)C=C1 12880246 MPUKSSRUGATSAU-SANMLTNESA-N 448.567 3.558 0 40 IHAB COc1ccc(NC(=O)C(=O)NCC(=O)Nc2ccccc2SCc2ccccc2)cc1 12891144 XMRVXDWTQSQLDX-UHFFFAOYSA-N 449.532 3.681 0 40 IHAB C[C@@H](NCC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccc(F)cc1F 13011612 TZVHDBSOZUODAO-LLVKDONJSA-N 425.361 3.854 0 40 IHAB CN(c1ccc(OC(=O)c2cc(=O)[nH]c3ccccc23)cc1)S(=O)(=O)c1ccccc1 13137142 XJUDGIHWBXLADB-UHFFFAOYSA-N 434.473 3.572 0 40 IHAB CCOc1ccc(-c2ccc(N3CCN(C(=O)c4c(OC)cccc4OC)CC3)nn2)cc1 13657930 YJSSGXXUECDHPG-UHFFFAOYSA-N 448.523 3.522 0 40 IHAB O=C1CCc2cc(S(=O)(=O)Nc3cc(C(F)(F)F)ccc3-n3cccn3)ccc2N1 14870970 DDKWRMLEYOTQLT-UHFFFAOYSA-N 436.415 3.577 0 40 IHAB C[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1 15796752 BTDLIEWMPNFRMT-XXBNENTESA-N 441.597 3.506 0 40 IHAB CCOC(=O)c1c(-c2ccco2)csc1NC(=O)COC(=O)c1c(C)nsc1NC 16974694 TWMKUOXWXWRXJO-UHFFFAOYSA-N 449.510 3.787 0 40 IHAB CCOC(=O)c1c(NC(=S)NC(=O)c2ccc(CC)cc2)sc(C(=O)OC)c1C 17098971 XKMDPMKRRRKGRU-UHFFFAOYSA-N 434.539 3.709 0 40 IHAB Cc1ccc2c(c1)C[C@@]1(CN2C)C(=O)N(c2ccc(Br)cc2)C(=O)N=C1O 17207245 FGWNMWIAKGLFFK-FQEVSTJZSA-N 428.286 3.860 0 40 IHAB Cc1ccc(C(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)CN(CC2CCCCC2)CC3)cc1 19135334 NPXDIBNZQRZKMQ-QHCPKHFHSA-N 434.584 3.994 0 40 IHAB Cc1cccc([C@H]2CN(C(=O)C3CCCC3)[C@@H]3CCN(C(=O)CCn4ccnc4)C[C@H]23)c1 19235234 JSUJTXIYTJRKHS-WXFUMESZSA-N 434.584 3.615 0 40 IHAB COc1ccc(Cn2nnnc2[C@H](c2cccs2)N2CCN(c3ccccc3)CC2)cc1 19556167 OVCZPKQZQWRAGV-QHCPKHFHSA-N 446.580 3.703 0 40 IHAB CN(C)C(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(C(=O)c2cccnc2)C1 19579366 LCCPCHOWIFLWDX-SANMLTNESA-N 428.536 3.697 0 40 IHAB CN1CCC(c2nc(O)cc([C@@H]3CCCN(C(=O)c4cccc5ncccc45)C3)n2)CC1 19588210 QTYPRCQZISCZQM-GOSISDBHSA-N 431.540 3.559 0 40 IHAB CNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCN(Cc2ccc(OC)cc2OC)C1 19591705 HZWMTRYTBPZNPI-MHZLTWQESA-N 445.563 3.947 0 40 IHAB Cn1cc(C(=O)N2CCO[C@H](c3ccc(Cc4cccc(C(F)(F)F)c4)cn3)C2)cn1 19692245 DBMOJCCGRPOMIY-FQEVSTJZSA-N 430.430 3.638 0 40 IHAB C[C@H]1CCCCN1CC(=O)N1CCC(c2nc(N(C)C)ncc2-c2ccccc2F)CC1 19695115 TXEHWZVMANXQKV-SFHVURJKSA-N 439.579 3.929 0 40 IHAB COc1ccccc1OCc1cc([C@@H]2CCN(C(=O)COc3ccc(F)cc3)C2)n[nH]1 19704333 ARRGNLUSIPDNON-MRXNPFEDSA-N 425.460 3.531 0 40 IHAB COc1ccccc1CN1CCCc2c(C)nc(C3CCN(Cc4ncc[nH]4)CC3)nc21 19705715 WLHKMJHJCSKNBH-UHFFFAOYSA-N 432.572 3.849 0 40 IHAB COCCNC(=O)c1cc([C@H]2CCN(C(=O)Cc3ccc(C)c(C)c3)C2)nc2ccccc12 19761830 PMCBPIMNISWPLT-NRFANRHFSA-N 445.563 3.786 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(F)cc1 20006973 ZZLOROLRANRYCN-HXUWFJFHSA-N 442.512 3.671 0 40 IHAB CCC(=O)Nc1cc(S(=O)(=O)Nc2ccc3sc(C(=O)OC)cc3c2)ccc1OC 20025257 INVRNMFZCOMVEQ-UHFFFAOYSA-N 448.522 3.846 0 40 IHAB CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1 20041586 MHBFATRJVCJPML-INIZCTEOSA-N 440.525 3.554 0 40 IHAB Cc1cc(C(=O)COC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)c(C)n1CCC(C)C 21120045 NMLBYNDXIQDSCK-UHFFFAOYSA-N 435.524 3.847 0 40 IHAB COCC(=O)N1CCCc2ccc(NS(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)cc21 21756755 FRIHQEBNHKUBAC-UHFFFAOYSA-N 430.570 3.955 0 40 IHAB Cc1ccc([C@H](C)NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)c(C)c1 22339637 VJSUZGZFLSSBQJ-HNNXBMFYSA-N 439.375 3.709 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)cc1OCC 22405847 BNMXUDWHCROXEK-UHFFFAOYSA-N 427.526 3.838 0 40 IHAB Cn1ccnc1[C@H](NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1cccc(F)c1 23779767 NSLGVEFRTOYFNC-OAQYLSRUSA-N 435.503 3.709 0 40 IHAB CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCN(c2ccccc2F)CC1 24425461 GQFLQVTZGPSDGL-HXUWFJFHSA-N 427.520 3.610 0 40 IHAB CCOc1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 24607213 XDXHKOLEYHRIKY-UHFFFAOYSA-N 436.961 3.919 0 40 IHAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)CN1c2cccc3cccc(c23)S1(=O)=O 24713591 RMTUCPZNQZFGIH-UHFFFAOYSA-N 434.473 3.564 0 40 IHAB Cc1ccc(NC(=O)NC(=O)[C@@H](C)Sc2nnnn2-c2ccc(Cl)cc2)c(C)c1 24978208 PAUGQQWAQPMXFT-CYBMUJFWSA-N 430.921 3.761 0 40 IHAB COc1ccc(N(CCC(=O)N[C@@H](C)C2CC2)S(=O)(=O)c2ccc(C)cc2C)cc1 25771251 ZRGHOVXXLMDPPJ-SFHVURJKSA-N 430.570 3.812 0 40 IHAB Cc1csc2nc(COC(=O)c3ccccc3NC(=O)Cc3ccccc3)cc(=O)n12 26004799 WNHAWRZZJAJTTC-UHFFFAOYSA-N 433.489 3.603 0 40 IHAB COc1ccc(NC(=O)c2nnc(Cn3cc(C(F)(F)F)cc(Cl)c3=O)s2)cc1 29257939 VEAGHOPZXNIYOH-UHFFFAOYSA-N 444.822 3.681 0 40 IHAB O=C(Nc1ccc(-n2cccn2)nc1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 29851899 KWYMCSXJGSNFJV-UHFFFAOYSA-N 430.917 3.646 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)[C@H](C)Oc1cc(C)cc(C)c1C 30755553 UWEBTUZSZJXIRK-SFHVURJKSA-N 446.569 3.811 0 40 IHAB CC(C)Cc1nc2oc3c(=O)n(CC(=O)Nc4nccs4)cnc3c2c2c1CCCC2 32075048 LXOUEUCMOJZKJV-UHFFFAOYSA-N 437.525 3.710 0 40 IHAB COc1ccc(C2=NN(C(=O)c3ccc(Br)cc3)[C@@](O)(C(F)(F)F)C2)cc1 32100952 VHBRFUDFECHFTC-KRWDZBQOSA-N 443.219 3.959 0 40 IHAB CCOc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(C)cc3)N3CCOCC3)no2)cc1 32623330 XWWVJDPJPXZCNH-QHCPKHFHSA-N 435.524 3.852 0 40 IHAB Nc1nc(SCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)nc2sccc12 32841116 XDLJRBJILLOYER-HNNXBMFYSA-N 442.566 3.891 0 40 IHAB O=C(CNC(=O)NCc1ccccc1)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 32843382 XEMQBXICFLWEBT-VRXIZKAYSA-N 425.532 3.899 0 40 IHAB O=C(NC[C@@H]1COc2ccccc2O1)c1cc(Br)c(Br)s1 32995805 RJQNRJNHSBYEOX-MRVPVSSYSA-N 433.121 3.843 0 40 IHAB Cc1ccccc1N1C(=O)c2ccc(C(=O)N(C)Cc3ccc4c(c3)OCCO4)cc2C1=O 36877495 LCFRPHHNOLLCBI-UHFFFAOYSA-N 442.471 3.839 0 40 IHAB CCOCCCN1C(=O)/C(=C/c2cccc(NC(=O)c3ccc(OC)cc3)c2)N=C1S 39982756 GLKNYYXLAOGSDU-HKWRFOASSA-N 439.537 3.843 0 40 IHAB CSc1cccc(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 44786579 SJUHFUXIZHSKKW-KRWDZBQOSA-N 426.947 3.618 0 40 IHAB Cc1sc2nc(S[C@H](C)C(=O)Nc3ccc(N4CCOCC4)cc3)nc(N)c2c1C 46581221 REEJXVZQIOTXNH-CQSZACIVSA-N 443.598 3.846 0 40 IHAB COC(=O)C1=C(CN2CCC(Cc3ccccc3)CC2)NC(=O)N[C@@H]1c1ccc(C)cc1 51318308 PAIWEEIITWUZLE-XMMPIXPASA-N 433.552 3.731 0 40 IHAB Cc1ccc(NC(=O)Cn2c(=O)n(CCc3cccs3)c(=O)c3ccccc32)c(C)c1 57473254 BCZVKPNSWSCIFX-UHFFFAOYSA-N 433.533 3.723 0 40 IHAB CCOc1ccccc1OCC(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(CC)CC1 58171832 ZGAFCEHAKZZQSM-SFHVURJKSA-N 429.536 3.623 0 40 IHAB CCc1cccc(C)c1NC(=O)Cn1cnc2nc(N3CCC[C@@H](C)C3)sc2c1=O 67226213 ACZCXKUKTXYFPD-CQSZACIVSA-N 425.558 3.599 0 40 IHAB CCOc1ccc(NC(=O)Cn2c(=O)cc(-c3nc(C4CC4)no3)c3ccccc32)cc1 67317880 NQRBYUDOPZLPTR-UHFFFAOYSA-N 430.464 3.966 0 40 IHAB C[C@H]1Cc2cc(C(=O)N3CCN(C)C(=O)[C@H]3Cc3ccc(-c4cccnc4)cc3)ccc2O1 72351876 XEHBBIXOLLQPCX-MHECFPHRSA-N 441.531 3.598 0 40 IHAB CN(CC(=O)N1CCC[C@H]1Cc1c(C(N)=O)sc2ccccc12)Cc1ccc(F)cc1 72370332 SINWPASBZODZGZ-SFHVURJKSA-N 439.556 3.805 0 40 IHAB CN(C)C(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(C(=O)c2ccccn2)C1 72391302 WWUKBLGJVAMQHX-AREMUKBSSA-N 428.536 3.697 0 40 IHAB CCOC(=O)c1csc(NC(=O)c2cn(-c3cccc(OC)c3)c(=O)c3ccccc23)n1 72401972 RZAWUFYPPVPAJR-UHFFFAOYSA-N 449.488 3.885 0 40 IHAB COc1ccc(NC(=O)[C@@H]2CCCN(c3ccc(-c4nc(C)no4)cn3)C2)cc1Cl 77200426 MBVOGEAQRRRFEE-OAHLLOKOSA-N 427.892 3.957 0 40 IHAB O=S(=O)(c1sccc1Br)N1CCC[C@@H](n2nccc2C(F)(F)F)C1 95466071 CFMFECXIOKEPRV-SECBINFHSA-N 444.298 3.752 0 40 IHAB COC(=O)c1ccc(CNC(=O)[C@H](C)N2CC=C(c3cncc4ccccc34)CC2)cc1 96012872 HZBBSDDGLLYUPC-SFHVURJKSA-N 429.520 3.815 0 40 IHAB CCOC(=O)[C@@H]1CCCN([C@H](c2ccc(CC)cc2)c2sc3nc(CC)nn3c2O)C1 102896656 WRSLWJOBTJUQPZ-IEBWSBKVSA-N 442.585 3.986 0 40 IHAB O=C(COC(=O)C12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2)N1CCC(c2ccccc2)=N1 103377164 HADJRGDWXZRDQK-TUKZGULFSA-N 445.357 3.900 0 40 IHAB CCOc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2c(CC)cccc2CC)C1 111880755 IEZNMCAOWMYTKI-IBGZPJMESA-N 438.524 3.745 0 40 IHAB Cc1cc(O[C@@H]2CCN(S(=O)(=O)c3ccc(-c4ccc(F)cc4)cc3)C2)cc(=O)o1 206969426 INBBVKNXLKIYLB-LJQANCHMSA-N 429.469 3.596 0 40 IHAB CCOC(=O)c1cccc(NC(=O)[C@H](CC)N(c2cccc(Cl)c2)S(C)(=O)=O)c1 219093404 PQRKVBZWYWZTAJ-SFHVURJKSA-N 438.933 3.700 0 40 IHAB CC[C@@H](C(=O)NCCSCc1ccccc1F)N(c1ccc(F)cc1)S(C)(=O)=O 219112284 SSRWIFFGHXKOSB-IBGZPJMESA-N 442.553 3.559 0 40 IHAB CS(=O)(=O)N(CCCC(=O)Nc1nnc(-c2ccccc2)s1)c1ccccc1F 223252753 DIRSAGJUDCJJIJ-UHFFFAOYSA-N 434.518 3.529 0 40 IHAB Cc1cc(C(=O)O)ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)o1 223633410 FOCQNDDDKGVFPL-NHCUHLMSSA-N 437.521 3.703 0 40 IHAB CC(C)c1ccc(N(CC(=O)NCCOc2ccccc2C(C)C)S(C)(=O)=O)cc1 223756247 KUOUDBKXQWUVBD-UHFFFAOYSA-N 432.586 3.895 0 40 IHAB CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCCOc1ccc(OC)cc1 223873273 WQHKTTLQCVHSHZ-SFHVURJKSA-N 430.520 3.937 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCCOc2ccc(F)cc2)cc1 223935350 BNUNCAHRSBCLHH-UHFFFAOYSA-N 428.485 3.744 0 40 IHAB O=C(NCC1CCCCC1)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 224236084 JDWHZORQAYKACM-OAQYLSRUSA-N 448.972 3.993 0 40 IHAB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc2c(c1)OCCO2 224310848 FOULTFKRBIXSEK-SFHVURJKSA-N 442.531 3.719 0 40 IHAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccc(Cl)cc1Cl 225437215 WHCCGYMYCKMEHI-SFHVURJKSA-N 445.368 3.863 0 40 IHAB O=C(COc1cccc(C(F)(F)F)c1)N1CC[C@H](Oc2ncccc2Br)C1 238921364 TYGUNJGMFSAECZ-AWEZNQCLSA-N 445.235 3.922 0 40 IHAB CCc1ccc([C@H]2CC(c3ccc(OC)cc3)=NN2C2=NC(=O)[C@H](CC(=O)O)S2)cc1 252492351 MJQAFDCFWMUFLY-UXHICEINSA-N 437.521 3.881 0 40 IHAB COc1cccc(C(=O)N2CCC[C@@](COc3ccc(Cl)c(C)c3)(CC(N)=O)C2)c1 257220015 DJEWAIVVSPBGQR-HSZRJFAPSA-N 430.932 3.834 0 40 IHAB O=C(CCn1cccn1)N1CCO[C@H](c2cccc(Cc3ccccc3C(F)(F)F)n2)C1 257235594 GYNNPMSFKNNOBD-NRFANRHFSA-N 444.457 3.878 0 40 IHAB CCn1cc(NC(=O)CN2CC3(CO[C@@H]4c5ccc(C)cc5OC(C)(C)[C@H]4C3)C2)c(C)n1 257318047 VMFXJSVNNSLIDK-WMZHIEFXSA-N 438.572 3.709 0 40 IHAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl 408592288 JULMLEFZFQLZRV-GUYCJALGSA-N 429.369 3.798 0 40 IHAB Cc1ccc(NC(=O)COC(=O)CCS(=O)(=O)c2cc(Cl)ccc2Cl)cc1C 408644117 DDSGBRRITPTDKS-UHFFFAOYSA-N 444.336 3.956 0 40 IHAB Cc1cccc(C)c1NC(=O)COC(=O)c1ccc(N2C(=O)[C@@H]3CC=C[C@H](C)[C@H]3C2=O)cc1 408668667 VJHFYPOUNAVPBX-ZAOYMGCJSA-N 446.503 3.801 0 40 IHAB Cc1ccc([C@@H]2[C@H](NC(=O)c3ccc(Cl)cc3)C(=O)N/[N+]2=C\c2ccccc2C)cc1 409059979 TZTVWZGUORCLKY-LMOLPZMTSA-O 432.931 3.973 0 40 IHAB CCOc1cc(C)c(/C=C2\SC(=O)N(CC(=O)NCCCOC)C2=O)cc1C(C)C 409208671 DPTDHOIGJUWGIQ-UNOMPAQXSA-N 434.558 3.706 0 40 IHAB Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N1CCOC2(CCOCC2)CC1 546721884 DHONEDTUUABHJH-UHFFFAOYSA-N 432.517 3.860 0 40 IHAB COc1ccc(C(=O)N2CCC3(CCCCc4ccccc4OCCOC3=O)CC2)cn1 643573679 ILPAOBBCBRKGEV-UHFFFAOYSA-N 438.524 3.661 0 40 IHAB CC(=O)N1[C@@H](C(=O)N2CCN(c3ccccc3)CC2)CS[C@H]1c1ccc(Cl)cc1 821703 LXSHMVZWNQKNGG-IRLDBZIGSA-N 429.973 3.651 0 40 IHAB COc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(Cc3ccco3)CC(=O)N21 2116803 WWFBZEVRTRVXLX-OFVILXPXSA-N 441.487 3.655 0 40 IHAB biogenic Cc1noc(C)c1COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 3318711 AQLZGOZNPOHEEC-UHFFFAOYSA-N 426.922 3.867 0 40 IHAB COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)NC2CCCCC2)c(OC)c1 5151517 BCONHDFCOSPNHQ-ZODMCCGTSA-N 430.589 3.821 0 40 IHAB Cc1ccc(CN(CCc2ccccc2)C(=O)CN2CCN(c3ccccn3)CC2)s1 8723509 GGXHURKWFHEEDA-UHFFFAOYSA-N 434.609 3.845 0 40 IHAB Cc1cc(C)c(-c2n[nH]c3c2[C@H](c2cccc(Br)c2)N(CCO)C3=O)c(O)c1 8845132 MEOXIEMCXLZSMT-FQEVSTJZSA-N 442.313 3.699 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C)c3)CC2)c2cccnc12 8856175 OBXKZGKJDIZPCZ-UHFFFAOYSA-N 439.537 3.591 0 40 IHAB O=C1Oc2ccccc2[C@@H]2Oc3c(c(=O)oc4ccccc34)[C@]3(C(=O)Nc4ccccc43)[C@@H]12 8856954 SZXKKLUZNAQNME-BNIKKZEQSA-N 437.407 3.700 0 40 IHAB CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(NCc2ccccc2)s1 8912405 ZBJGXBFGVTZIIB-UHFFFAOYSA-N 436.580 3.690 0 40 IHAB CN1C(=O)c2cc(NS(=O)(=O)c3ccc4c(c3)OCCO4)ccc2Oc2ccccc21 8961037 ARVIHLIJSXYYRR-UHFFFAOYSA-N 438.461 3.641 0 40 IHAB O=C(Nc1nnc(-c2ccc3c(c2)OCCO3)o1)c1ccc(C(=O)c2ccccc2)cc1 9427710 JRVAOFQTMWJHTI-UHFFFAOYSA-N 427.416 3.991 0 40 IHAB O=C(CCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O)NCCc1ccc(O)cc1 9429725 HWHBYIJLFAKCSW-AQTBWJFISA-N 430.913 3.831 0 40 IHAB COc1cc2[nH]c(C(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2c(OC)c1OC 9430070 UVEZIOMQTLAKHR-UHFFFAOYSA-N 429.904 3.810 0 40 IHAB Cc1ccc2oc3c(c(=O)c2c1)[C@@]1(C(=O)N(C)c2ccccc21)N(CCCOC(C)C)C3=O 9431970 LNQFQGVJJLPGPZ-SANMLTNESA-N 446.503 3.592 0 40 IHAB O=C(COc1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 9453826 CXDZGSPIWCBYEJ-KRWDZBQOSA-N 428.337 3.588 0 40 IHAB CCCCN1C(SCC(=O)Nc2cccc(OC)c2)=NS(=O)(=O)c2ccccc21 9530315 NVGYHZRDRMURGX-UHFFFAOYSA-N 433.555 3.732 0 40 IHAB CCOc1cc(C(=O)NCCc2c[nH]c3ccccc23)ccc1OCC(=O)N1CCCCC1 9642945 XDTBDFXUNXKPCZ-UHFFFAOYSA-N 449.551 3.930 0 40 IHAB CC[C@H](NC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O)c1ccc(Br)cc1 9647571 SMPDSUJLCHAFTL-RISOHXOYSA-N 436.350 3.517 0 40 IHAB Cc1cccc(-c2nnc(S[C@@H](C(=O)NC(N)=O)c3ccccc3)n2Cc2ccco2)c1 9741444 SRTVHQQKUQCCIV-LJQANCHMSA-N 447.520 3.923 0 40 IHAB COc1cc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccc(C)o2)c(OC)cc1Cl 9908208 KSESHACFWQOPBY-GOSISDBHSA-N 429.864 3.778 0 40 IHAB CC1CCN(C(=O)[C@@H](C)OC(=O)c2c(NC(=O)c3ccco3)sc3c2CCC3)CC1 10935834 IIWIKFBFRIYBPT-CQSZACIVSA-N 430.526 3.886 0 40 IHAB O=C(c1cc(-c2ccc(Cl)cc2)on1)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 11914825 GDWKXZMCFPZPMF-SFHVURJKSA-N 430.913 3.825 0 40 IHAB CC[C@@H](C(=O)NCCn1ncc2c(=O)n(Cc3cccc(Cl)c3)cnc21)c1ccccc1 12071470 OJXCLHOFRQTJRR-HXUWFJFHSA-N 449.942 3.605 0 40 IHAB CCc1nn(C)c(C(=O)N2CC[C@H](c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](CC)N4)C2)c1C 12182497 LEDZYNUKWISPJL-JJRVBVJISA-N 438.498 3.815 0 40 IHAB CCOc1ncc(Cl)cc1C(=O)N1CCC(c2nc3ccccc3cc2C(N)=O)CC1 12275451 MNYQLIVPAWVREV-UHFFFAOYSA-N 438.915 3.801 0 40 IHAB Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)NCCNC(=O)c3ccco3)cc12 12792510 PKEZNVCNQOLRRD-UHFFFAOYSA-N 442.928 3.861 0 40 IHAB Cc1c(Cl)cccc1NC(=O)CNC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 12909580 XUQRYVGKXWTVAG-UHFFFAOYSA-N 429.948 3.821 0 40 IHAB C[C@H]1Cc2cc(C(=O)N(C)Cc3ccc(Cl)cc3Cl)ccc2N1S(C)(=O)=O 12926929 YNEUYXYQTASATC-LBPRGKRZSA-N 427.353 3.976 0 40 IHAB CC1CCN(c2nnc(SCc3cc(=O)n4cc(Cl)ccc4n3)n2C2CC2)CC1 12982229 CBDNVUSPJCVARM-UHFFFAOYSA-N 430.965 3.803 0 40 IHAB CCCCCCn1nc(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)c2ccccc2c1=O 12998409 YOQUZHVNLACHEE-HNNXBMFYSA-N 434.496 3.949 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3ccc(C(C)(C)C)cc3)CC2)cc1 13668613 BQQJTGWDQBCLRY-UHFFFAOYSA-N 428.598 3.758 0 40 IHAB O=C(Cn1c(=O)n2nc(-c3cccnc3)nc2c2c3c(sc21)CCCC3)c1ccccc1 13688772 WVQUFCBJVQUUNM-UHFFFAOYSA-N 441.516 3.929 0 40 IHAB CCn1c(COc2ccccc2Cl)nnc1SCC(=O)NCCc1ccccc1 13841937 ZCUQXCKVNXEJGI-UHFFFAOYSA-N 430.961 3.981 0 40 IHAB COc1cc(NC(=O)C2CCCCC2)c(C(=O)OCc2ccc(C(N)=O)cc2)cc1OC 16116298 CJTSGOHGAKHQKE-UHFFFAOYSA-N 440.496 3.679 0 40 IHAB COCCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cc(OC)ccc1OC 16154686 WEONJODGKMMAJX-UHFFFAOYSA-N 435.420 3.549 0 40 IHAB COc1cc(Br)c(CCNC(=O)c2cc3ccccc3oc2=O)cc1OC 16172493 XRACHIXRXFCOSA-UHFFFAOYSA-N 432.270 3.545 0 40 IHAB O=C(CCc1csc(NC(=O)c2ccc[nH]c2=O)n1)Nc1ccc(Cl)c(Cl)c1 16851230 QIPKKTVWBGBKGY-UHFFFAOYSA-N 437.308 3.962 0 40 IHAB CN(C)C(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)c2ccn(C)n2)C1 19290907 IQDYZRUZHBYLNZ-XMMPIXPASA-N 436.581 3.702 0 40 IHAB CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2ccccc2F)CCN(C(=O)c2cc[nH]n2)C1 19449364 PHFYPQQEIIAUSQ-RUZDIDTESA-N 434.515 3.815 0 40 IHAB Cc1nc(-c2cccc(NC(=O)CSc3nnnn3-c3cccc(F)c3)c2)cs1 19542245 BKCWNIATELHIQS-UHFFFAOYSA-N 426.502 3.964 0 40 IHAB COc1cccc(CN2CC[C@](Cc3ccccc3-c3cccnc3)(C(N)=O)C2)c1OC 19567589 DEGFWVBWDIKLCB-AREMUKBSSA-N 431.536 3.686 0 40 IHAB CNc1cc(C(=O)N2CCC([C@H]3CC=CCN(Cc4cccc(OC)c4)C3=O)CC2)ccn1 19698546 WNHIUGORNQMJHD-HSZRJFAPSA-N 448.567 3.589 0 40 IHAB CNC(=O)[C@@]1(Cc2cc(-c3ccccc3C)no2)CCN(C(=O)c2ccc(COC)cc2)C1 19703572 JBGNXMMKEUXFAA-AREMUKBSSA-N 447.535 3.617 0 40 IHAB O=C(Nc1nccs1)c1cc([C@H]2CCN(C(=O)CN3CCCCC3)C2)nc2ccccc12 19761361 KYXAZVSMXYBOLJ-KRWDZBQOSA-N 449.580 3.745 0 40 IHAB COc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc(C(C)C)cc3)n2)cc1OC 22257062 STDVZUOJIHNJAI-UHFFFAOYSA-N 431.514 3.698 0 40 IHAB C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1ccc2c(c1)CCCC2 24275869 KXALJCWRDZUORZ-UZLBHIALSA-N 432.611 3.905 0 40 IHAB Nn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc(/C=C/c2ccccc2)c1=O 27526436 UWHLQKOUSOXRIW-VOTSOKGWSA-N 448.335 3.560 0 40 IHAB COc1ccc(CN(Cc2nc(-c3cccs3)oc2C)[C@H]2CCS(=O)(=O)C2)cc1 27654106 NYOAVMQBXBIWHZ-KRWDZBQOSA-N 432.567 3.909 0 40 IHAB COc1cccc(N2C[C@H](c3nc4ccccc4n3CC(=O)N3CCCCC3)CC2=O)c1 31903669 ZQJXNKVOCHGYBC-GOSISDBHSA-N 432.524 3.578 0 40 IHAB COc1cccc(C2=NN(C(=O)COc3ccc(Cl)c(C)c3)[C@](O)(C(F)(F)F)C2)c1 32101350 RVHPJBCKWYAQOU-LJQANCHMSA-N 442.821 3.923 0 40 IHAB CC(C)C(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2ccccc2Cl)CC1 32127967 HYVMIPMPSJQVMU-UHFFFAOYSA-N 444.988 3.771 0 40 IHAB C[C@@H](NC(=O)CSc1nncc2c1[nH]c1ccc(F)cc12)c1ccc2c(c1)OCCO2 32752920 KSTDLWGJNRQLFM-GFCCVEGCSA-N 438.484 3.991 0 40 IHAB O=C(Nc1ccccc1)[C@H](c1ccccc1)N1CCN(Cc2cn3ccccc3n2)CC1 32853704 BPAMPVXBTSPXKT-VWLOTQADSA-N 425.536 3.832 0 40 IHAB COc1ccc2c(c1)c1nc(SCC(=O)Nc3ccccc3Cl)n(C)c(=O)c1n2C 33287588 LEJOUZULQVCXTA-UHFFFAOYSA-N 442.928 3.818 0 40 IHAB CSc1ncc(C(=O)O[C@@H](C)C(=O)N(C)Cc2ccccc2)n1-c1ccc(F)cc1 36852492 AMGGPWMYCWAZOL-HNNXBMFYSA-N 427.501 3.937 0 40 IHAB Cc1ccc(C(=O)CCC(=O)CCC(=O)Nc2cccc(-c3nnnn3C3CC3)c2)s1 40091017 SNHRTULTQIODTD-UHFFFAOYSA-N 437.525 3.996 0 40 IHAB O=C(CSc1nccnc1N1CCSCC1)Nc1ccc(Br)cc1 48987235 PCOHHVAITBZFEP-UHFFFAOYSA-N 425.377 3.523 0 40 IHAB COc1ccccc1-n1c(=O)c2sccc2n(CC(=O)Nc2ccc(C(C)C)cc2)c1=O 57490738 SNBWMDZSAAAYGC-UHFFFAOYSA-N 449.532 3.985 0 40 IHAB CC(=O)c1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2Cc2ccco2)cc1 67236463 OUXVJIZOAVDVKW-UHFFFAOYSA-N 436.493 3.608 0 40 IHAB Cc1c(C(=O)N2CCC3(CC2)C[C@@]2(CO3)NC(=O)c3ccccc3N2)[nH]c2ccc(F)cc12 72325369 DNTIBKYALRWYML-VWLOTQADSA-N 448.498 3.562 0 40 IHAB C[C@H]1Cc2cc(CN3CCC[C@H]([C@H](NC(=O)[C@@H]4CCCO4)c4ccccn4)C3)ccc2O1 72330607 YNDJUFYEHGEVFJ-IYNDAXALSA-N 435.568 3.654 0 40 IHAB COc1ccc(OCCc2cc([C@@H]3CCN(C(=O)c4cn5ccc(C)cc5n4)C3)n[nH]2)cc1 72371682 VBEXGSSSTAAWRV-GOSISDBHSA-N 445.523 3.626 0 40 IHAB O=C(Nc1ccccc1)O[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)C1 77200181 VCHCNQKSLKIMJY-OZOXKJRCSA-N 439.487 3.855 0 40 IHAB Cc1c(NC(=O)N2CCC[C@H](n3nccc3C(F)(F)F)C2)c(=O)n(-c2ccccc2)n1C 95466198 ICDUEBQMTUJROZ-INIZCTEOSA-N 448.449 3.569 0 40 IHAB CCOc1ncc(C2(O)[C@@H]3CCC[C@@H]2CN(Cc2cc(C)c(O)c(C)c2)C3)c(OCC)n1 100149746 LGBMGYUGTJEKGM-WOJBJXKFSA-N 441.572 3.716 0 40 IHAB COc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4OC)C(=O)[C@@H]3ON2c2ccccc2)cc1 101083940 ARZHICNHPZMVIN-XPWALMASSA-N 430.460 3.755 0 40 IHAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 102216515 KCOWZJVWDSEXQU-LLGFUMIMSA-N 444.553 3.585 0 40 IHAB O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl)Nc1cccc(Cl)c1 107670891 IXXMMMZTBNTFPA-UHFFFAOYSA-N 429.325 3.795 0 40 IHAB CCOc1cc(C(=O)Nc2cccc(OC)c2)cc(I)c1OC 108925583 MOMFNEXSGZNFKH-UHFFFAOYSA-N 427.238 3.959 0 40 IHAB CC[C@H](C(=O)NCc1ccc(OC(C)C)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 113949945 LLFHQFLSSZUGQU-HXUWFJFHSA-N 438.977 3.988 0 40 IHAB CCOc1ccccc1CNC(=O)[C@H](C)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 220439209 XAAPGKXHLXXRSD-ZDUSSCGKSA-N 445.368 3.863 0 40 IHAB CC[C@H](C(=O)Nc1ccc(Br)cc1)N(c1cccc(C)c1)S(C)(=O)=O 220495403 BNLRGYAOYOKMMN-QGZVFWFLSA-N 425.348 3.941 0 40 IHAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1F 222589103 DKFSNBRAEYIWPE-JOCHJYFZSA-N 438.474 3.730 0 40 IHAB CCOc1ccc(N(CCCC(=O)NCCCc2ccc(C)cc2)S(C)(=O)=O)cc1 222622662 WHZAYHUKCIPSID-UHFFFAOYSA-N 432.586 3.689 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CCCN(c2cccc(C)c2C)S(C)(=O)=O)cc1 222627482 NQUIVMSPBYLMTJ-UHFFFAOYSA-N 432.542 3.665 0 40 IHAB COc1cccc(N(C)C(=O)COc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)c1 222675148 GNQRORMCQYAJGX-UHFFFAOYSA-N 440.521 3.846 0 40 IHAB O=C(NCc1ccccc1)[C@H]1CN(C(=O)COc2ccc(Cl)cc2)c2ccccc2O1 222970990 UXUMHKSNKHFUDG-JOCHJYFZSA-N 436.895 3.829 0 40 IHAB CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc2c(c1)OCO2 223279920 AZPYYBNUYLDEQH-KRWDZBQOSA-N 428.504 3.821 0 40 IHAB CC[C@H](C(=O)NCCOc1ccc2ccccc2c1)N(c1ccc(C)cc1)S(C)(=O)=O 223616659 XVDOGEUGUPKYSG-HSZRJFAPSA-N 440.565 3.888 0 40 IHAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCC3=CCCCC3)Oc3ccccc32)cc1 223997628 ZNNYZWVHNJJZEI-QFIPXVFZSA-N 426.538 3.568 0 40 IHAB CC[C@@H](C(=O)Nc1nnc(SCC(C)C)s1)N(c1cccc(C)c1)S(C)(=O)=O 223999709 TZNBMDZMLYRXKY-HNNXBMFYSA-N 442.632 3.778 0 40 IHAB COc1cccc(C[C@H]2CC[C@@H]3CN(C(=O)C4(C)CCN(c5ncccn5)CC4)C[C@@H]32)c1 257295889 RAHISRBPOZMNNI-MQSCRBSSSA-N 434.584 3.819 0 40 IHAB COc1cccc(-n2nccc2-c2nc(C(=O)NCCc3ccccc3)c3cnccn23)c1 306125579 CUOIVTJELTZALF-UHFFFAOYSA-N 438.491 3.563 0 40 IHAB CCn1cc(CN2CCN(C)[C@@H](c3cn4c(-c5ccc(OC)cc5)cccc4n3)C2)cn1 306129978 ITALXINRVPEIJK-XMMPIXPASA-N 430.556 3.715 0 40 IHAB CN1c2ccccc2N(C2CCN(C(=O)c3cc4ccccc4s3)CC2)S1(=O)=O 390829792 GQJTWMRWOHJSSJ-UHFFFAOYSA-N 427.551 3.707 0 40 IHAB C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCC(Cc2ccccc2)CC1 408591623 JTGSAEPQZJPTLY-IBGZPJMESA-N 436.577 3.988 0 40 IHAB O=C(O)CC[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(Br)cc2)CC1 408613021 WJAPEMPJLFZMQB-IBGZPJMESA-N 449.320 3.952 0 40 IHAB O=C(COC(=O)CCS(=O)(=O)c1ccc2ccccc2c1)Nc1cccc(Cl)c1 408647453 SYPCBTQMZWXNLM-UHFFFAOYSA-N 431.897 3.839 0 40 IHAB CCc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 408664683 QVCIAXWAOLPVDQ-ZCVTWQBDSA-N 446.503 3.580 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1OCC 408694466 IBCPMYQUBMWHHN-DHZHZOJOSA-N 430.570 3.504 0 40 IHAB CCOc1cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=S)N2CC(=O)OC)ccc1O 409052159 GPQUGSHHGIBAIC-YBEGLDIGSA-N 446.912 3.592 0 40 IHAB CCCCNC(=O)CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(C)cc1 409057799 WLRATYXURDIPHB-UHFFFAOYSA-N 426.941 3.895 0 40 IHAB CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCC(=O)Nc1cccc(C)c1C 409062576 WZZGEBZVIVMICP-UHFFFAOYSA-N 437.569 3.884 0 40 IHAB O=Cc1ccc(-c2ccc(Cl)c(C(=O)OCC(=O)Nc3ccc4c(c3)OCO4)c2)o1 409216071 DRXUKDKGZWIYEJ-UHFFFAOYSA-N 427.796 3.937 0 40 IHAB C[C@H]1CN(C(=O)c2ccc3c(c2)CCCC3=O)CCN1C(=O)c1ccc2c(c1)CCCC2=O 500956008 UFUDIDPWHDGXDV-KRWDZBQOSA-N 444.531 3.711 0 40 IHAB Cn1cc(C(=O)Nc2ccc3nc(N4CCOCC4)[nH]c3c2)c(-c2ccccc2Cl)n1 595681808 YHENTYXFDZYPBY-UHFFFAOYSA-N 436.903 3.706 0 40 IHAB O=S(=O)(c1ccccc1OC(F)(F)F)N1[C@H]2CC[C@H]1CC(n1cc(Cl)cn1)C2 1775975154 APMFLYFAHKMWQJ-STQMWFEESA-N 435.855 3.992 0 40 IHAB COc1cccc(C(=O)Cn2c(=O)n3nc(-c4ccc(F)cc4)nc3c3ccccc32)c1 1889205655 FTMVRXXECFOUBZ-UHFFFAOYSA-N 428.423 3.742 0 40 IHAB COc1ccc(CCNC(=O)CSc2nc(C)nc3sc4c(c23)CCC4)cc1OC 1017576 ZTNLVVYAFZJADC-UHFFFAOYSA-N 443.594 3.957 0 40 IHAB O=C1CN(C(=O)COc2ccc(Br)cc2Br)c2ccccc2N1 3515564 MTUZPMRSASNSCN-UHFFFAOYSA-N 440.091 3.576 0 40 IHAB COc1ccc(CCNC(=O)COc2ccc(Br)cc2Br)cc1 3515791 KABCVDCQCMRQAB-UHFFFAOYSA-N 443.135 3.958 0 40 IHAB CCOC(=O)c1sc(NC(=O)CSc2nnc3c(C)cc4ccccc4n23)nc1C 6089526 YSEXWSVUODMKRP-UHFFFAOYSA-N 441.538 3.863 0 40 IHAB Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CCCCC3)cc12 6405807 WEKCGRVMDFTRKX-HSZRJFAPSA-N 428.540 3.755 0 40 IHAB COC(=O)c1sc(NC(=O)CSc2nnc3c(C)cc4ccc(C)cc4n23)nc1C 6442062 BSNULSODDZFJQJ-UHFFFAOYSA-N 441.538 3.782 0 40 IHAB COc1ccc(CN(C)CC(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)cc1F 8718409 CWVCSJUFLWTKOR-UHFFFAOYSA-N 442.318 3.670 0 40 IHAB COC[C@H](O)CNC(=O)CCc1c(C)c2cc3c(-c4ccccc4)coc3cc2oc1=O 8764546 PBVHFWYRARGSKG-QGZVFWFLSA-N 435.476 3.571 0 40 IHAB biogenic O=C1Nc2ccc(Br)cc2[C@@H]1/C=C1\SC(=O)N(c2cccc(O)c2)C1=O 8820719 QXOJDMRXVWSORE-PBTLCFMXSA-N 431.267 3.974 0 40 IHAB O=C(COc1ccccc1C(=O)Nc1ccccc1)Nc1ccc(N2CCOCC2)cc1 8860902 KEJHNTFSAGVPGD-UHFFFAOYSA-N 431.492 3.793 0 40 IHAB COc1ccc(C)cc1NC(=O)[C@H](Sc1nnnn1C[C@@H]1CCCO1)c1ccccc1 9255337 HTCIESNKNOWRAU-FXAWDEMLSA-N 439.541 3.641 0 40 IHAB CCOC(=O)C1=C(NC(=O)CSc2nnc(-c3ccoc3C)o2)S[C@H]2CCCC[C@@H]12 9289664 ZZVAWFAOYSABCI-KGLIPLIRSA-N 449.554 3.927 0 40 IHAB O=C(NC[C@H](c1ccco1)N1CCCC1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 9337488 SMRQPNWKJDKOIK-HXUWFJFHSA-N 429.948 3.739 0 40 IHAB Cc1nnc(NC(=O)CSc2nnc(NC(=O)c3ccc(C(C)(C)C)cc3)s2)s1 9367044 MNUOPNIYDKVAFC-UHFFFAOYSA-N 448.599 3.979 0 40 IHAB Cc1nc2cc(NC(=O)c3ccc(S(=O)(=O)N(C)C[C@H]4CCCO4)cc3)ccc2s1 9599523 ADWQAKDQBVAPAI-QGZVFWFLSA-N 445.566 3.657 0 40 IHAB COc1ccc(-c2ccc3nnc(SCC(=O)Nc4ccc(F)c(F)c4)n3n2)cc1 9829056 DSZRDSCRXTWDNK-UHFFFAOYSA-N 427.436 3.809 0 40 IHAB COc1ccc(-n2ccnc(SCC(=O)Nc3ccc(Br)cc3)c2=O)cc1 10272566 RKKJZZGIWZGVKF-UHFFFAOYSA-N 446.326 3.734 0 40 IHAB COCCN(CC(=O)Nc1cccc(C)c1C)S(=O)(=O)c1c(Cl)cccc1Cl 10665809 VWNAFLJBFMISQU-UHFFFAOYSA-N 445.368 3.886 0 40 IHAB COc1cc(C(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)cc(OC)c1OC 10770595 JIWROFGWBGHPDK-UHFFFAOYSA-N 427.497 3.725 0 40 IHAB Cc1ccc(-c2cc(C(=O)N3CCN(c4nccs4)CC3)c3c(C)noc3n2)s1 11188247 ZSQNLARLSDHOSV-UHFFFAOYSA-N 425.539 3.987 0 40 IHAB CC(C)n1ncc2c(C(=O)Nc3ccc(NS(C)(=O)=O)cc3)cc(-c3ccco3)nc21 11363098 STVMOUKDLTUMGJ-UHFFFAOYSA-N 439.497 3.896 0 40 IHAB COc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C 12551042 XCVPKRQXYYXWPH-RHSMWYFYSA-N 446.525 3.533 0 40 IHAB CCOc1ncccc1C(=O)Oc1ccc(N(C)S(=O)(=O)c2ccccc2F)cc1 12774948 GIELSKMIPVHVMB-UHFFFAOYSA-N 430.457 3.664 0 40 IHAB OC1CCC(Nc2nc(CN3CCOCC3)nc3scc(-c4cccs4)c23)CC1 12777315 XYPDGWZQRKVGBY-UHFFFAOYSA-N 430.599 3.967 0 40 IHAB COC(=O)c1sc(NC(=O)CCN[C@@H](C)c2cccc(Cl)c2)c(C(=O)OC)c1C 12864242 HSJLCNFKYZTKAS-LBPRGKRZSA-N 438.933 3.963 0 40 IHAB C[C@H](NC(=O)COc1ccc(Br)cc1Cl)c1ccc(-n2cncn2)cc1 12868017 VGAOXJHDBNTMHL-LBPRGKRZSA-N 435.709 3.939 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN[C@H](C)c1cccc(F)c1 13075556 XOQZNRAZYVSIBV-QGZVFWFLSA-N 433.549 3.598 0 40 IHAB CCOC(=O)C1=C(C)N=c2s/c(=C/C=C/c3ccccc3)c(=O)n2[C@H]1c1ccccc1F 13590982 JYQZTQHUKCMYFI-DIUABYGMSA-N 448.519 3.603 0 40 IHAB COc1ccc(-c2ccc(N3CCN(C(=O)CCSc4ccccc4)CC3)nn2)cc1 13657727 VMWOBDSOUGTTCX-UHFFFAOYSA-N 434.565 3.983 0 40 IHAB CCOC(=O)CC(=O)c1sc2c(c1N)[C@H](c1cccs1)C(C(=O)OCC)=C(C)N2 13739157 QUSPRLJWTFTEIY-OAHLLOKOSA-N 434.539 3.922 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3ccccc3Cl)CC2)cc1 14252975 GBCGGRYQLNZJGN-OAHLLOKOSA-N 436.961 3.627 0 40 IHAB CCCOc1ccc(C(=O)CCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)cc1 15436888 WDHAEADGNKLBRK-UHFFFAOYSA-N 444.553 3.862 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2cccc(OCc3cc(=O)n4cc(C)ccc4n3)c2)cc1 15865508 VZODCOHRBVPBEG-UHFFFAOYSA-N 435.505 3.691 0 40 IHAB COc1ccc(CCNC(=O)[C@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)cc1OC 16021191 JGCMIQVFRZRTDQ-HXUWFJFHSA-N 440.540 3.725 0 40 IHAB C[C@H](OC(=O)/C=C/c1cc(Br)ccc1F)C(=O)Nc1ccc2c(c1)OCO2 16050802 MGVPKEDLJJCVLC-FOKSMMDQSA-N 436.233 3.901 0 40 IHAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc([C@@H]3COc4ccccc4O3)o2)c1C 17659118 GBTVKWVBUHTWBF-WFASDCNBSA-N 443.481 3.677 0 40 IHAB COc1cccc(CC(=O)N2CCC(c3n[nH]cc3C(=O)N3[C@@H](C)CCC[C@H]3C)CC2)c1 19496069 SPPOQRNADLKUEF-HDICACEKSA-N 438.572 3.770 0 40 IHAB CNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCN(C(=O)c2ccccc2OC)C1 19591607 YOUICHCQIREPFR-SANMLTNESA-N 429.520 3.578 0 40 IHAB CN1C[C@H](c2ccc(CN(C)C(=O)c3cccc(Oc4ccccc4)c3)cc2)[C@@H](C(N)=O)C1 19699223 YSMWAYBMMIAKSN-RPBOFIJWSA-N 443.547 3.882 0 40 IHAB Cc1nc(C2CCN(C(=O)CCCc3ccccn3)CC2)nc2c1CCC(=O)N2CC1CC1 19739266 LSIZMOGHCWZPEN-UHFFFAOYSA-N 447.583 3.598 0 40 IHAB Cc1nc([C@@H]2CCCN(C(=O)c3cc(-c4ccc(F)cc4)no3)C2)nc2c1CCC(=O)N2C 19741341 GJPKDRPZPQEXLM-MRXNPFEDSA-N 449.486 3.508 0 40 IHAB CN(CC(=O)N[C@H]1CCCc2ccccc21)S(=O)(=O)c1cc(Cl)ccc1Cl 20012964 DEDKOXABYAZDRA-KRWDZBQOSA-N 427.353 3.808 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(C(=O)O[C@@H](C)c2nnc(-c3ccccc3)o2)ccc1F 20035028 MCNMWGBEZJFXGY-AWEZNQCLSA-N 447.488 3.824 0 40 IHAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1nc(CN2CCC(C)CC2)cs1 22291679 DIMAPERTDBNWNL-OAQYLSRUSA-N 439.585 3.542 0 40 IHAB C[C@@H](OC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)C(=O)NC1CCCCC1 22467200 IHHJJDBGOFJDKF-CQSZACIVSA-N 436.555 3.543 0 40 IHAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1Cl 22536155 CQLWEVCLBXKILK-INIZCTEOSA-N 438.977 3.772 0 40 IHAB CN1CCN([C@@H](c2cccc(Cl)c2)c2sc3nc(-c4ccco4)nn3c2O)CC1 22798394 OZMFTEMXYICYPQ-INIZCTEOSA-N 429.933 3.747 0 40 IHAB NC(=O)c1ccc(NC(=O)[C@H]2CCCN(c3ccc(-c4ccc(Cl)cc4)nn3)C2)cc1 23142742 SFKVUJVXEUMBOQ-KRWDZBQOSA-N 435.915 3.751 0 40 IHAB O=C(CN1C(=O)NC2(CCCCCCC2)C1=O)Nc1ccccc1C(=O)c1ccccc1 23819657 ZSSDCYJPMOSXBE-UHFFFAOYSA-N 433.508 3.891 0 40 IHAB COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)N(C)[C@H]1CCCc2ccccc21 24071619 WPEDERAPUACUIT-FQEVSTJZSA-N 429.948 3.755 0 40 IHAB O=C(NC1CCCCCC1)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 24432169 MCPJZLUXLSHLIV-UHFFFAOYSA-N 448.507 3.825 0 40 IHAB COc1ccc(-n2ccn(CN3Cc4c(OC)ccc(OC)c4[C@@H](O)C3)c2=S)cc1 29543496 PNYIYAALVQUEHY-SFHVURJKSA-N 427.526 3.541 0 40 IHAB COc1ccc(CC[C@]2(C)NC(=O)N(Cc3nc4ccccc4n3C(F)F)C2=O)cc1 31740154 YEIIZXIIHSCAQK-QFIPXVFZSA-N 428.439 3.883 0 40 IHAB CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(c2nnc3ccccn23)CC1 32744714 NQPXKNVVVCLGTJ-HXUWFJFHSA-N 439.947 3.543 0 40 IHAB O=C(NCC(F)(F)F)[C@H]1CCCN1C(=O)Cc1csc(-c2ccccc2Cl)n1 32809572 LYWGHGMFEZTQGM-CQSZACIVSA-N 431.867 3.676 0 40 IHAB COc1ccc(NC(=O)c2ccccc2NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)c(OC)c1 32854628 WFBLEYHVQVGLIB-QFIPXVFZSA-N 446.459 3.676 0 40 IHAB COc1ccc([C@@H]2CCCN2C(=O)Cc2c(C)nc3nc(C(F)(F)F)nn3c2C)cc1 32892867 KMRPSFQVQMFSSQ-KRWDZBQOSA-N 433.434 3.675 0 40 IHAB NC(=O)NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(Cl)cc1)CC2 33470543 WRZHQZXNIXGSHO-KAMYIIQDSA-N 435.867 3.727 0 40 IHAB CC(=O)Nc1ccc(C(=O)Cn2nc(-c3ccc(Br)cc3)ccc2=O)cc1 44920919 MLTZYXJPWITHIQ-UHFFFAOYSA-N 426.270 3.514 0 40 IHAB O=C(Cn1cc(Br)ccc1=O)NC1(c2ccc(Br)cc2)CCC1 48326088 UGHOKAQZTIWXKM-UHFFFAOYSA-N 440.135 3.569 0 40 IHAB CCOc1ccccc1NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 64985283 CBYDJMPCLXQTEB-JOCHJYFZSA-N 438.505 3.680 0 40 IHAB COC(=O)c1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2CCC(C)C)cc1 67238170 OPRDNGHUGGNROT-UHFFFAOYSA-N 442.541 3.597 0 40 IHAB CC1(C)[C@H]2CC[C@]1(C)[C@H](NC(=O)C1CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC1)C2 69209493 VBIMVPWQQQESTK-VQPPSCEASA-N 440.556 3.697 0 40 IHAB CC(C)(C)OC(=O)N[C@@H](CNC(=O)Cc1ccc(N2CCCC2=O)cc1)c1ccccc1 72297670 ZJHMHYQIZSGALD-NRFANRHFSA-N 437.540 3.738 0 40 IHAB COc1cccc(-c2nccnc2[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c1 72358690 TUJCVFBDEZHUAD-KRWDZBQOSA-N 427.501 3.860 0 40 IHAB CC(C)C(=O)Nc1ccc(S(=O)(=O)NCC[C@@H](O)c2cccc3ccccc23)cc1 77118168 QSOVZGSJGLVCEM-JOCHJYFZSA-N 426.538 3.836 0 40 IHAB CCOC(=O)c1cccc(NC(=O)c2nnn(-c3ccccc3OC)c2-c2ccccn2)c1 77199923 HHASQLRUOCYPBC-UHFFFAOYSA-N 443.463 3.767 0 40 IHAB CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@]12NC(=O)N(CCCOc1ccc(F)cc1)C2=O 95405522 KWZCAMFASZLIQG-QMHKHESXSA-N 449.523 3.600 0 40 IHAB Cc1ccc(NS(=O)(=O)N(C)CC(C)C)cc1S(=O)(=O)Nc1ccccc1Cl 95993762 XWWFOZXGKVLFGH-UHFFFAOYSA-N 445.994 3.694 0 40 IHAB O=C(NC1CCCC1)[C@@H]1N(CCc2ccccc2)C(=O)[C@H]2[C@@H](c3ccccc3)[C@H]3C=C[C@@]21O3 100435357 VXXBXHDZSRRRIA-KAUKRTNFSA-N 442.559 3.606 0 40 IHAB COC(=O)c1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 101014897 ILJJGQCDYHLQGO-ZLNRFVROSA-N 442.471 3.833 0 40 IHAB CC[C@@]1(C)c2sc(=O)[nH]c2S[C@@H]2[C@H]3C[C@@H]([C@H]4C(=O)N(c5ccc(F)cc5)C(=O)[C@H]34)[C@@H]21 101261846 HYDGNKXEKCMXEV-YOITWLPXSA-N 444.553 3.789 0 40 IHAB CCc1ccccc1NC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 102086963 ZFTUXUTWXLINDE-HSXQVNBESA-N 440.543 3.852 0 40 IHAB COc1ccc(CCCNC(=O)[C@H](C)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 220368570 HEXRAUPDKVKPHE-INIZCTEOSA-N 438.977 3.561 0 40 IHAB COC(=O)[C@]1(c2ccccc2)N[C@H](c2ccccc2C)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 222011184 SVOQZGUANHTOFH-DVAKJLRASA-N 440.499 3.514 0 40 IHAB C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)N(C)c2ccc(F)cc2)cc1)c1ccccc1 222646303 VRUPULDRTJROBM-QGZVFWFLSA-N 442.512 3.907 0 40 IHAB COc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3ccc(Cl)c(C)c3)n2)c(OC)c1 222857729 DCYGJPQVTMYNSG-CYBMUJFWSA-N 431.876 3.799 0 40 IHAB COC(=O)c1ccc(Cl)c(S(=O)(=O)NCCOc2ccccc2C(C)(C)C)c1 223733798 RXIUHUFKLMMUQI-UHFFFAOYSA-N 425.934 3.781 0 40 IHAB COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3OC)cc2)cc1 224524585 VXXHWJKHOIJIAV-UHFFFAOYSA-N 442.493 3.766 0 40 IHAB CCn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1CCC(=O)Nc1ccccc1OC 225676995 UOLZUVMQEHNGRD-GOTSBHOMSA-N 449.580 3.913 0 40 IHAB COc1ccc([C@@H](C)N(C)CC(=O)N(C)[C@H](C)c2ccc(OC)c(OC)c2)cc1OC 248094049 GCRMSXABNVQDOU-IAGOWNOFSA-N 430.545 3.933 0 40 IHAB Cc1cccc(OC(C)(C)C(=O)N2CCO[C@H](c3cc(-c4cnn(C)c4)cc(C)n3)C2)c1 257224396 FBQWZZJEXWZSMB-QHCPKHFHSA-N 434.540 3.856 0 40 IHAB Cc1cnc2c(C(=O)N3CCO[C@@H](c4cccc(Cc5ccccc5Cl)n4)C3)cnn2c1 257265154 LXNHUROYXVYYNZ-JOCHJYFZSA-N 447.926 3.891 0 40 IHAB CCNC(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCN(C(=O)c2cccnc2N)CC1 257284454 PCTUUNIIGVOBOR-UHFFFAOYSA-N 442.563 3.932 0 40 IHAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)CCc2ccccc2)cc1Cl 408586743 BBWKOYOEUJKRBH-HOTGVXAUSA-N 438.977 3.543 0 40 IHAB COc1ccccc1NC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl 408587881 CNWDTDQAHSUKEN-UHFFFAOYSA-N 438.933 3.587 0 40 IHAB CSc1ccccc1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 408605811 NMUSWBJNCGCFGD-HXUWFJFHSA-N 426.563 3.937 0 40 IHAB COc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Br)cc2)cc1 408662503 DXTNUALKMMCOQO-UHFFFAOYSA-N 449.301 3.748 0 40 IHAB CCOc1ccc(C(=O)Nc2ccc(OC)c(Cl)c2)cc1S(=O)(=O)N1CCCC1 408696345 ACCNAZZQGULCCR-UHFFFAOYSA-N 438.933 3.784 0 40 IHAB CCN1C(=O)N/C(=C/c2ccccc2OCc2ccc(I)cc2)C1=O 409168291 PTKNVOGQZSQRKJ-LFIBNONCSA-N 448.260 3.783 0 40 IHAB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)cc(OC)c1O 409183071 PNDLQNKWJCHDGI-VCHYOVAHSA-N 442.493 3.701 0 40 IHAB COc1ccc(C)cc1NC(=O)COc1ccc(S(=O)(=O)NCC(C)C)cc1Cl 409264034 JGGYUQRKBHQPCA-UHFFFAOYSA-N 440.949 3.609 0 40 IHAB Cc1nnnn1-c1cccc(NC(=O)N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c1 588245158 VZLAVSGJHSLUOI-MRXNPFEDSA-N 448.462 3.571 0 40 IHAB COc1cc(C(=O)N[C@H]2CCc3nc(C)nn3C2)ccc1OCc1ccccc1Cl 589145976 GYWLCGPKYQQMQI-KRWDZBQOSA-N 426.904 3.572 0 40 IHAB CCN(Cc1nc(O)c2ccccc2n1)C(=O)c1cc(Nc2nc(C)cc(C)n2)ccc1O 1628912793 SEOLRZUKKBITRR-UHFFFAOYSA-N 444.495 3.854 0 40 IHAB CCOc1ccc(S(=O)(=O)N2[C@H]3CC[C@H]2CC(n2cc(C(C)(C)C)nn2)C3)cc1F 1775975758 NMRWSWDFYVIPSU-GJZGRUSLSA-N 436.553 3.670 0 40 IHAB Cc1cc(Cl)cc2sc(N3CCN(c4cncc(-c5cnn(C)c5)n4)CC3)nc12 2298243931 AIBVNFTTZOWTBT-UHFFFAOYSA-N 425.949 3.775 0 40 IHAB COc1cc2ccccc2cc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1 865014 BWTUWWZMAKCANE-UHFFFAOYSA-N 448.504 4.000 0 40 IHAB Cc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C)c(C)c3)c(N)n2)cc1 2693369 VHZHVJHKTIPFBX-UHFFFAOYSA-N 442.566 3.548 0 40 IHAB Cc1ccccc1Nc1nc(N)nc(COC(=O)c2c3c(nc4ccccc24)CCC3)n1 3368754 SUZDMSPUHYBIAZ-UHFFFAOYSA-N 426.480 3.900 0 40 IHAB COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(N2CCN(C)CC2)cc1 6287872 QVZAPPZDXUXYLW-XCVCLJGOSA-N 430.346 3.861 0 40 IHAB COc1ccc([C@@H](CNC(=O)c2cc(OC)c(OC)c(OC)c2)N2CCCCC2)cc1 6937218 JNMDZLBHBAQUQO-HXUWFJFHSA-N 428.529 3.678 0 40 IHAB biogenic CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Br)c(O)c(OCC)c2)C1=O 8875150 MYHUMBNGGNEEAQ-TVNQGELYSA-N 444.303 3.541 0 40 IHAB CCCNc1nc(SC)nc2c1cnn2CCNC(=O)c1ccc(C(F)(F)F)cc1 8940578 HKBKGSUYXXSQPR-UHFFFAOYSA-N 438.479 3.819 0 40 IHAB Cc1ccc(OCc2n[nH]c(SCC(=O)Nc3cc(C)nn3-c3ccccc3)n2)cc1 9442912 JQNFZBJRDRZJOO-UHFFFAOYSA-N 434.525 3.917 0 40 IHAB O=C(Nc1ccccc1Br)C1CCC(Cn2nnc3ccccc3c2=O)CC1 9449361 ASVPTQBYZJLOTK-UHFFFAOYSA-N 441.329 3.999 0 40 IHAB Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 9494936 NNLYZLBTYAZFIN-UHFFFAOYSA-N 446.617 3.902 0 40 IHAB CCOC(=O)c1c(NC(=O)c2ccc(C(C)=O)cc2)sc2c1CCN(C(=O)OCC)C2 9639199 BKVSOYZSVNQMTE-UHFFFAOYSA-N 444.509 3.894 0 40 IHAB Cc1cc2nc(N(CCN(C)C)C(=O)c3cccc(S(C)(=O)=O)c3)sc2cc1C 9708060 QGFIXAGCXBNOPM-UHFFFAOYSA-N 431.583 3.525 0 40 IHAB NC(=O)c1ccsc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 9714974 VBHAYNVKAQCGJA-UHFFFAOYSA-N 435.914 3.554 0 40 IHAB C[C@H](NC(=O)c1ccc(NC(=O)CSc2nnnn2C)cc1)c1ccc2ccccc2c1 9751482 XLMVFSQNUNTFMF-HNNXBMFYSA-N 446.536 3.585 0 40 IHAB Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C(/C(=O)N1CCOCC1)c1nc2ccccc2[nH]1 9798916 GFJNFDKUOBRVSO-RCCKNPSSSA-N 445.498 3.904 0 40 IHAB COc1ccc(/C=C/C(=O)Oc2coc(CSc3nccc(C)n3)cc2=O)cc1OC 9829273 NFTMZBUMVOBIAR-FNORWQNLSA-N 440.477 3.667 0 40 IHAB O=C(N[C@@H]1CCSc2ccc(F)cc21)c1cccc(S(=O)(=O)NCc2ccco2)c1 9949042 DVPORQCTAPWUNB-LJQANCHMSA-N 446.525 3.864 0 40 IHAB O=C(Nc1ccc2ncsc2c1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 10217403 ITGABHAXRZFKQT-LBPRGKRZSA-N 427.960 3.803 0 40 IHAB COC(=O)c1ccc(NC(=O)COC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 10729343 MXTMEKAXRGROTH-NSHDSACASA-N 426.252 3.729 0 40 IHAB Cc1cc(NC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)n(C(C)C)n1 11695175 QRYHLYBHDWHVGK-UHFFFAOYSA-N 438.553 3.772 0 40 IHAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cnc2c(cnn2Cc2ccccc2)c1 12551817 WZRNWCOYTUVEBU-UHFFFAOYSA-N 440.551 3.792 0 40 IHAB O=C(NCc1ccccc1OC(F)F)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12 12641028 FCDORGOYFNWULB-UHFFFAOYSA-N 449.479 3.699 0 40 IHAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2cccc(F)c2)cc1 12734600 AAJCORKAIAZHBW-UHFFFAOYSA-N 427.457 3.837 0 40 IHAB CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1ccc(OCC(F)(F)F)nc1 12783024 UPZMBLTTWTUSGY-UHFFFAOYSA-N 440.809 3.575 0 40 IHAB COc1ccc(Cl)cc1CN(C)C(=O)CCc1c(C)nc2nc(SC)nn2c1C 12899904 OESPZAWCGBGQAX-UHFFFAOYSA-N 433.965 3.716 0 40 IHAB C[C@H](c1ccc(F)cc1)N(C)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12915063 VBESFNXKBGPPER-QGZVFWFLSA-N 444.572 3.935 0 40 IHAB Cn1cnnc1SCC(=O)Nc1ccc(C(=O)N[C@@H]2CCSc3ccccc32)cc1 13126890 VTSCZVXRNGAOFX-QGZVFWFLSA-N 439.566 3.513 0 40 IHAB Cc1ccc([C@H](c2nnnn2Cc2ccco2)N2CCN(c3ccc(F)cc3)CC2)cc1 13505043 VFPDQHAAMXGWHO-HSZRJFAPSA-N 432.503 3.674 0 40 IHAB COc1cc(C)c(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1OC 13565839 VFCHXSQXFMENJA-ZDLGFXPLSA-N 430.457 3.826 0 40 IHAB CCOc1ccc(CNC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc1 13631933 YQCISRYZFJUUQB-UHFFFAOYSA-N 438.549 3.982 0 40 IHAB COc1ccc(CCNC(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1 14244072 BTLGZDLSMPSGQF-UHFFFAOYSA-N 428.485 3.608 0 40 IHAB O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CCC[C@H]1c1nnc2ccccn12 14249668 VDEARZCBHHNPDS-ZDUSSCGKSA-N 430.839 3.927 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)NCCC(C)C)c2cc(C)cc(C)c2)cc1OC 14413512 BPHFADNBTQAOSK-UHFFFAOYSA-N 448.585 3.678 0 40 IHAB O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCC(Cc2ccccc2)CC1 15511518 UKWQCIXFGQKVDL-UHFFFAOYSA-N 440.609 3.885 0 40 IHAB CCOC(=O)C1CCN(C[C@H](O)COc2ccc3cc(Br)ccc3c2)CC1 15879597 AQDFFXPXIYYFSL-IBGZPJMESA-N 436.346 3.617 0 40 IHAB O=S(=O)(c1cccc(Cl)c1Cl)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 16085478 PTSXSMBSGBLGQF-UHFFFAOYSA-N 440.274 3.918 0 40 IHAB CCC(=O)N1CCN(c2ccccc2NC(=O)c2c(F)c(F)c(OC)c(F)c2F)CC1 17103260 RWZACTRFQDITSN-UHFFFAOYSA-N 439.409 3.563 0 40 IHAB COc1ccc(CN2CCC(O)(Cn3ccnc3C)CC2)cc1OCc1ccc(F)cc1 19287972 WTYZNIGQIYZMEL-UHFFFAOYSA-N 439.531 3.945 0 40 IHAB Cc1cc(C(=O)Nc2cnn(Cc3cn(C)nc3C)c2)c2c(C)nn(-c3ccccc3)c2n1 19631760 COAYGJIMOXAELO-UHFFFAOYSA-N 440.511 3.576 0 40 IHAB CC(=O)N1C[C@H](c2ccc(CN(C)C)cc2)[C@@H](C(=O)N(C)Cc2ccc3ncccc3c2)C1 19699198 CZWGSUOALJGSIU-RPBOFIJWSA-N 444.579 3.517 0 40 IHAB COc1ccc(CC(=O)N2CCC[C@@H]2c2ncc(C(=O)Nc3ccccc3)c(C)n2)cc1 19755548 AIVPKZGXTCQZHF-JOCHJYFZSA-N 430.508 3.952 0 40 IHAB Cc1csc2nc(COC(=O)c3cccc(NC(=O)c4ccccc4F)c3)cc(=O)n12 21633068 WFSHLUAMFVFOQN-UHFFFAOYSA-N 437.452 3.813 0 40 IHAB O=C(Nc1ncccc1O)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 22265247 MEXVTRVTJGGIOI-UHFFFAOYSA-N 448.298 3.603 0 40 IHAB Cc1cc(C)c([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2C)cc1C 22537226 CYKGLZCAMAPHSU-LJQANCHMSA-N 432.586 3.863 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)NC[C@@H](c1ccco1)N1CCc2ccccc2C1 22907239 XKVYZNIMWPJALI-FQEVSTJZSA-N 426.538 3.675 0 40 IHAB O=C(c1nnn(-c2ccccc2)c1CSc1ncccn1)N1CCc2ccccc2C1 23109151 TZRJSQPPUYPVOK-UHFFFAOYSA-N 428.521 3.548 0 40 IHAB Cc1nc(-c2ccccc2)c(C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)s1 25906891 NHGXXYMXXPZFNE-UHFFFAOYSA-N 447.607 3.763 0 40 IHAB O=C(NC1CC1)c1ccc(CN(CC(=O)N2CCc3ccccc3C2)Cc2ccco2)cc1 26926519 YDAPOCAJQSGBDL-UHFFFAOYSA-N 443.547 3.759 0 40 IHAB CCOc1ccc(-c2nc(C(=O)N(C)Cc3nc4ccsc4c(=O)[nH]3)cs2)cc1 32315658 VGSVTHHJDFAEAB-UHFFFAOYSA-N 426.523 3.779 0 40 IHAB COc1ccc(OC)c(NC(=O)Cn2c(=O)nc(-c3cccs3)c3nc(C)sc32)c1 32615837 FRYBUDLGHVSCKB-UHFFFAOYSA-N 442.522 3.546 0 40 IHAB Cc1nc2ncnn2c(C)c1CCC(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1 32842255 GUYMNVHUVYZAAZ-UHFFFAOYSA-N 436.419 3.821 0 40 IHAB O=C(CN1CC=C(c2ccc(O)cc2)CC1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 32851115 GJTNYTKARXTKLG-UHFFFAOYSA-N 443.429 3.720 0 40 IHAB CC(C)Cn1c(SCc2noc(-c3ccccc3Cl)n2)nnc1N1CCOCC1 32908883 WDMJHJNLXMJOCK-UHFFFAOYSA-N 434.953 3.766 0 40 IHAB O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@H](c2nnc(-c3ccc4c(c3)OCO4)o2)C1 35596941 DKVUYKUJEBMBJS-AWEZNQCLSA-N 447.900 3.687 0 40 IHAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)[C@H](C)C(=O)Nc1ccc(F)cc1Cl 36420479 KEGBXCHDKWXVDT-UONOGXRCSA-N 446.910 3.502 0 40 IHAB O=C([C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1)N1CCCc2ccccc21 44884079 XEFVXDRFNMCWFT-JOCHJYFZSA-N 426.582 3.640 0 40 IHAB CCOC(=O)c1cc(C)n(CC(=O)N(c2cnn(C)c2)[C@H](C)c2cccc(OC)c2)c1C 48344862 ZFJQYKWKPGIDRQ-QGZVFWFLSA-N 438.528 3.818 0 40 IHAB O=C(Nc1c(C(=O)N2CCN(c3ccccn3)CC2)[nH]c2ccc(F)cc12)c1ccccc1 48990493 FUKZVBBMSDTPQO-UHFFFAOYSA-N 443.482 3.917 0 40 IHAB CCCCn1c(SCC(=O)Nc2ccc(C(=O)OC)cc2)nc2ccsc2c1=O 57426415 LBBXWVSFSLYPET-UHFFFAOYSA-N 431.539 3.776 0 40 IHAB COc1ccccc1-n1c(=O)c2sccc2n(CC(=O)Nc2cccc(Cl)c2)c1=O 57490761 XKGWQPVFENYNPZ-UHFFFAOYSA-N 441.896 3.515 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)Cn1c(Nc2ccc(F)c(C)c2)nc(C)cc1=O 57507687 VNBCFQLEJSKESM-UHFFFAOYSA-N 438.459 3.558 0 40 IHAB COc1ccc(NC(=O)C(=O)NCc2ccc(OCc3cccc(F)c3)cc2)c(OC)c1 58314172 YAWBSMAJYGULII-UHFFFAOYSA-N 438.455 3.677 0 40 IHAB COc1ccc(CCC(=O)N2CCC[C@H](c3nccnc3-c3cccc(C(N)=O)c3)C2)cc1 72358803 MISNFBJXAGWGRM-NRFANRHFSA-N 444.535 3.590 0 40 IHAB COc1cccc(CC(=O)N2CCC(c3nc(C)c4c(n3)N(CC3CC3)CCC4)CC2)c1 72373865 CXKNNIKARHUDNV-UHFFFAOYSA-N 434.584 3.905 0 40 IHAB COc1ccc(C[C@H](CO)CNC(=O)CCc2cccc(OC3CCCC3)c2)cc1O 83957463 RZZUXIDVZIINNA-FQEVSTJZSA-N 427.541 3.622 0 40 IHAB COc1ccc(Br)c(C(=O)NCCn2nc(C(F)(F)F)c3c2CCCC3)c1 96121559 RXORYCHHQNCZKC-UHFFFAOYSA-N 446.267 3.982 0 40 IHAB CCn1ncc(-n2c(S)nnc2C23C[C@H]4C[C@H](C2)CC(n2cnc(Cl)n2)(C4)C3)c1C 102645373 PDMLGMDWTBRCIW-RCRDTURJSA-N 444.996 3.573 0 40 IHAB CCc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccc(Br)cc4)N4CCCN4[C@H]3C2=O)cc1 102710780 UMVPNPOVKATLAH-VAMGGRTRSA-N 440.341 3.547 0 40 IHAB CC(C)ON1C(=O)[C@@H]2[C@H](C1=O)[C@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl 104205032 CJOKNKQCRKVNOX-PQTTXJEBSA-N 427.926 3.773 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCc2ccc(F)cc2)c2ccccc2C)cc1 108882471 WDZOYFRMBLSJQZ-UHFFFAOYSA-N 440.540 3.997 0 40 IHAB C[C@H](NS(=O)(=O)c1ccc(NC(=O)c2ccc(C(=O)O)cc2)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 108997162 AUOHEGIZVMEXHB-YYJDGNJWSA-N 442.537 3.740 0 40 IHAB CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(CN)NC(=O)OC(C)(C)C)cc1 218648198 PTUHUWYTHYZGFD-DPLHUUCSSA-N 444.597 3.719 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCc1ccc(Cl)cc1Cl)c1ccccc1F 222652318 MBEVJHYOAWIKCN-UHFFFAOYSA-N 433.332 3.995 0 40 IHAB COc1cc(C)c([C@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1C(C)C 223331401 STHQWHWHMKPMKV-SFHVURJKSA-N 432.586 3.933 0 40 IHAB O=C(NCCOC(=O)c1snnc1-c1cccs1)c1cccc(C(F)(F)F)c1 223848686 CTFGQMZMWQIRBO-UHFFFAOYSA-N 427.429 3.872 0 40 IHAB CCN(Cc1ccc(C(=O)NCCCOC(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 224457202 RHKNGHTWWWTSQD-UHFFFAOYSA-N 432.586 3.751 0 40 IHAB O=C(Nc1ccc(N2CCCC2)cc1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 224928257 RBNUZZLZORRLJS-HXUWFJFHSA-N 433.961 3.732 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2CCCCCC2)c1 225942039 SGYFSGFOXHQZGL-UHFFFAOYSA-N 428.598 3.939 0 40 IHAB O=C(O)c1ccccc1Nc1cnn(C23C[C@@H]4CC(C[C@H](C4)C2)[C@H]3C(=O)O)c(=O)c1Cl 230026423 ZVONFCMRICKDCF-NHZCELHVSA-N 443.887 3.575 0 40 IHAB O=C(c1ccccc1CN1CCOCC1)N1CCC[C@H](Cc2cccn3nccc23)CC1 257203058 AOMUHBNXZSSCPI-NRFANRHFSA-N 432.568 3.652 0 40 IHAB Cn1nc([C@H]2CN(C(=O)CCc3ccccc3)CCO2)cc1CCOc1cccc(F)c1 257214208 CLARBYDRZGPKHZ-XMMPIXPASA-N 437.515 3.713 0 40 IHAB Cc1cc(Nc2ccccn2)cc([C@H]2CN(C(=O)c3ccc4c(c3)OCCO4)CCO2)n1 257221782 DQMFYVUXMWSQQW-JOCHJYFZSA-N 432.480 3.514 0 40 IHAB CC1(C)C[C@H](O)[C@H]2CC[C@](CNC(=O)Cn3cc(Cl)cn3)(c3ccccc3)CC[C@@H]2O1 257259593 KZAQERLBAGRDOJ-XBJMDHIQSA-N 445.991 3.709 0 40 IHAB O=C1CCCC[C@]2(CN(C(=O)c3cccc(Cn4ccnc4)c3)C[C@H]2c2ccccc2F)N1 257323568 WKXYZPDQRQZTPY-BKMJKUGQSA-N 446.526 3.739 0 40 IHAB COc1ccc(CNC(=S)Nc2nc(N3CCCC3)cc(N3CCC[C@H](C)C3)n2)cc1 260712674 JSZFSNOIVFYSIV-KRWDZBQOSA-N 440.617 3.808 0 40 IHAB O=C(Nc1cccc(F)c1)c1nnc2n1C[C@@H]1CN(Cc3ccc(Cl)cc3)C[C@H]1C2 306129496 IFAKMTXMZBOARO-CVEARBPZSA-N 425.895 3.627 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCCC2=CCCCC2)C1 408561809 VMHIEATUQQVYIH-QGZVFWFLSA-N 440.993 3.756 0 40 IHAB C[C@H](Oc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1)C(=O)NC1CCCCC1 408600667 BVMQKIZOFMYDPU-SFHVURJKSA-N 442.581 3.650 0 40 IHAB COc1cc(/C=C2/NC(=O)NC2=O)cc(Br)c1OCc1ccc(Cl)cc1 408917353 RRKJKJOTMVMRJG-VGOFMYFVSA-N 437.677 3.870 0 40 IHAB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)Nc1ccc(Cl)cc1Cl 409137782 YSKUTVDSVRFRSY-NSHDSACASA-N 425.243 3.667 0 40 IHAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 409207488 VDLXJSSGWZZJST-CYBMUJFWSA-N 430.448 3.800 0 40 IHAB O=C(COc1ccccc1/C=C1/NC(=O)N(Cc2ccccc2)C1=O)Nc1ccccc1 409248031 FLBRPJACCXZKIM-RCCKNPSSSA-N 427.460 3.797 0 40 IHAB Cc1cc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc(-c2ccncc2)n1 519126001 LAVXFIMZEMXGDH-UHFFFAOYSA-N 445.548 3.511 0 40 IHAB O=C(CN[C@H](CN1CCCC1=O)c1ccccc1)Nc1cc(C2CC2)nn1-c1ccccc1 538117178 BOSIYIWIRUKUJS-HSZRJFAPSA-N 443.551 3.642 0 40 IHAB CC(C)(NC(=O)c1cccc(F)c1)C(=O)N1CCOC[C@@H](Cc2cccc3cnccc23)C1 585262070 LFZOFMCTVLRURP-SFHVURJKSA-N 449.526 3.600 0 40 IHAB Cn1cc(-c2ccc(CCNS(=O)(=O)c3ccc(OC(F)(F)F)cc3)s2)cn1 1889291345 FQHPZGUDJJERLB-UHFFFAOYSA-N 431.461 3.568 0 40 IHAB COc1ccccc1OCc1nnc(SCC(=O)N2CCCCC2)n1-c1ccccc1 924722 IFZNGUXXLLLINM-UHFFFAOYSA-N 438.553 3.960 0 40 IHAB C[C@@H]1CCC[C@@H](C)N1C(=O)CN1C(=O)C(C)(C)Oc2ccc(C(=O)NC3CCCC3)cc21 1342256 UMJTURIPOSHRNV-IAGOWNOFSA-N 441.572 3.653 0 40 IHAB O=C1C[C@H](c2ccc3c(c2)OCO3)N1C1(C(=O)Nc2ccc3c(c2)OCO3)CCCCC1 1412072 YXMNAIWBHCCPPM-QGZVFWFLSA-N 436.464 3.759 0 40 IHAB Cn1c(Cn2cnc(Cl)c2Cl)nnc1SCC(=O)Nc1ccc(Cl)cc1 2152198 DDWJXUMDYHWXBD-UHFFFAOYSA-N 431.736 3.751 0 40 IHAB CN1CCN(NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)CC1 2756994 HWRBNEYKWBORQL-UHFFFAOYSA-N 425.330 3.557 0 40 IHAB O=C(N[C@H]1CCN2C(=O)c3cc(-c4ccccc4F)ccc3NC(=O)[C@H]12)c1cccs1 8296684 PZFPLXKPHGIAQZ-ICSRJNTNSA-N 435.480 3.519 0 40 IHAB biogenic,in-vitro Cc1cccc2cc(CN(Cc3cccs3)C(=S)NC[C@H]3CCCO3)c(=O)[nH]c12 8686608 JMKMIHCFMMZOES-GOSISDBHSA-N 427.595 3.954 0 40 IHAB CC(C)Sc1nc(N2CCCC2)c2cnn(CCNC(=O)c3c(F)cccc3F)c2n1 8797598 DQDHLWKGVRCBLI-UHFFFAOYSA-N 446.527 3.635 0 40 IHAB Cn1c(CC(=O)Nc2ccc(Cl)cc2)nnc1SCCC(=O)Nc1ccccc1 9327780 PDZUFTUMUKOACS-UHFFFAOYSA-N 429.933 3.771 0 40 IHAB CCOc1ccc(NC(=O)CN2C(=O)N[C@@](Cc3ccccc3)(c3ccccc3)C2=O)cc1 9631664 DZZJTPIVKKHRQT-SANMLTNESA-N 443.503 3.714 0 40 IHAB O=C(CSc1nnnn1-c1ccccc1)N1N=C(c2ccco2)C[C@H]1c1cccs1 9633595 VUSSWGRQHUMMLP-INIZCTEOSA-N 436.522 3.787 0 40 IHAB O=C(Nc1nc2ccc(F)cc2s1)[C@H]1CCCCN1S(=O)(=O)c1cccs1 9663953 DBKKUCUXFHFHSB-CYBMUJFWSA-N 425.532 3.679 0 40 IHAB COc1cccc(CNC(=O)CSc2ccc(-c3ccc(-n4cccn4)cc3)nn2)c1 9738826 MHTLQWQMFDJAHL-UHFFFAOYSA-N 431.521 3.746 0 40 IHAB Cc1ccccc1Nc1nc(N)nc(CN2C(=O)N[C@](C)(c3ccc(C(C)C)cc3)C2=O)n1 9778985 JWIYEORSFNDOIE-XMMPIXPASA-N 445.527 3.596 0 40 IHAB COc1cc2c(cc1/C=C/C(=O)N1CCC(n3c(=O)[nH]c4ccccc43)CC1)O[C@@H](C)C2 9796169 FFLKURMJNXYIFJ-WAVCKPEOSA-N 433.508 3.539 0 40 IHAB CCOc1ccc2cc([C@@H]3CC(c4ccc(C)cc4)=NN3C(=O)CCC(=O)O)c(=O)[nH]c2c1 11612194 MDPXNKRQHRVXJG-QFIPXVFZSA-N 447.491 3.778 0 40 IHAB O=C(CSc1nnc(-c2cccnc2)n1-c1ccc(Cl)cc1)NCc1ccco1 13513300 MDLIDTCMHVCJMD-UHFFFAOYSA-N 425.901 3.984 0 40 IHAB O=S(=O)(c1ccc2c(c1)OCCO2)c1nc(-c2ccc(F)cc2)oc1N1CCCC1 13726547 NCTQOEYMVSJQCF-UHFFFAOYSA-N 430.457 3.685 0 40 IHAB COc1ccc(OC)c2sc(N3CCN(C(=O)c4nc5ccccc5s4)CC3)nc12 15882428 NINNOSCSMGCJRX-UHFFFAOYSA-N 440.550 3.886 0 40 IHAB COCCNc1nc2ccccc2nc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 16757448 OENGTSGIOFOIAW-UHFFFAOYSA-N 426.420 3.508 0 40 IHAB CC(C)(C)C(=O)N1CCO[C@](Cc2cccc(-c3cccc(F)c3)c2)(C(=O)NC2CC2)C1 19081466 IHDGXOCFYMECIV-SANMLTNESA-N 438.543 3.958 0 40 IHAB Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@H]2CCCN(C(=O)c3cccc(F)c3)C2)n1 19290151 YJOHACOHCHQXIG-SFHVURJKSA-N 434.519 3.636 0 40 IHAB COc1cc(CN2C[C@@H]3CCC[C@H](C2)C3(O)c2nccn2C)ccc1OC1CCCC1 19291376 GXDDUQLLUBJEHR-WPUZRXDDSA-N 425.573 3.870 0 40 IHAB CCN1CCN(C(=O)c2snnc2C)C[C@@H](Cc2cccc(-c3ccccc3C)c2)C1=O 19527522 ZLBCSKNUROZHBH-OAQYLSRUSA-N 448.592 3.985 0 40 IHAB Cc1nonc1C(=O)N1CCCC[C@@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C(C)C)N2 19558777 ZMRRVROLFTXQNE-NWANDNLSSA-N 426.443 3.886 0 40 IHAB COc1cccc(C(=O)N2CCNC(=O)[C@@H](Cc3cccc(-c4cccc(OC)c4)c3)C2)c1 19566690 NCVKQNRXXBLETF-QHCPKHFHSA-N 444.531 3.802 0 40 IHAB Cc1noc(C)c1CCC(=O)N1CCC(c2n[nH]cc2C(=O)N(C)c2ccccc2)CC1 19580603 ROUCOBRRFFHJIE-UHFFFAOYSA-N 435.528 3.630 0 40 IHAB COc1ccccc1OCc1cc([C@H]2CCN(C(=O)COc3ccc(F)cc3)C2)n[nH]1 19704334 ARRGNLUSIPDNON-INIZCTEOSA-N 425.460 3.531 0 40 IHAB CCCn1cnc2cc(NC(=O)c3ccc(=O)n(CC(=O)N(C)c4ccccc4)c3)ccc21 19751122 MHBZOFIXSYVEBX-UHFFFAOYSA-N 443.507 3.523 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(F)ccc3C)C2)cc1C 20017387 OQGGHUPPNXZMGO-QGZVFWFLSA-N 434.533 3.881 0 40 IHAB C[C@@H](NC(=O)CSc1n[nH]c(=O)n1CCc1ccccc1)c1ccc2c(c1)CCCC2 20080474 CBABYSJLHQKUAC-QGZVFWFLSA-N 436.581 3.662 0 40 IHAB C[C@@H]1[C@@H](NC(=O)C2CC2)CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NCc3ccc(F)cc3)[C@H](O)[C@@H]12 20466638 BISNMYWJEPENMC-AJSRWPDWSA-N 444.591 3.796 0 40 IHAB biogenic,in-vitro O=C(COC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)Nc1ccc(Cl)cc1Cl 21131628 UZGJSTHMEPFKNW-NSHDSACASA-N 425.243 3.667 0 40 IHAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 22338734 CUJPCRRURTVTEK-LJQANCHMSA-N 430.570 3.796 0 40 IHAB COc1ccccc1CCCNC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 22341634 HZVPJZVLONXAMZ-UHFFFAOYSA-N 445.368 3.517 0 40 IHAB Cc1ccc(OC[C@H](C)NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 22342523 RYUFLUVANRFPDR-AWEZNQCLSA-N 445.368 3.652 0 40 IHAB CCCN1CCN(C(=O)CSc2nnc(C(c3ccccc3)c3ccccc3)o2)CC1 22873739 GCCWYWSEPFQRDB-UHFFFAOYSA-N 436.581 3.896 0 40 IHAB COc1ccc(-c2ccc(N3CCC(C(=O)NCc4cccc(OC)c4)CC3)nn2)cc1 23143182 RPOBINVZGPGAQY-UHFFFAOYSA-N 432.524 3.694 0 40 IHAB CC(C)c1ccc(CN2CCN(C(=O)CSc3nnc4n3CCCCC4)CC2)cc1 23762144 JWADADQNSDVHFZ-UHFFFAOYSA-N 427.618 3.564 0 40 IHAB O=C(Nc1cccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1)c1cccs1 23909059 DJEQAFFCMGAJNM-UHFFFAOYSA-N 449.532 3.687 0 40 IHAB CCOc1ccc(C(C)=O)cc1CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 23992880 NBGQBYAINZXAIC-UHFFFAOYSA-N 442.990 3.509 0 40 IHAB O=C(CSc1nc(CN2CCOCC2)nc2ccccc12)NCc1cccc(Cl)c1 24770523 ITNSQXHXEFTYQM-UHFFFAOYSA-N 442.972 3.524 0 40 IHAB CC(C)c1ccc([C@H](NC(=O)Cn2nnn(-c3cccs3)c2=O)c2cccs2)cc1 24840021 GCLCDLOVZHVFEC-FQEVSTJZSA-N 439.566 3.581 0 40 IHAB CCS(=O)(=O)N1CCc2cc(C(=O)CSc3nccn3-c3ccccc3)ccc21 26128140 QQUQHDYMOWSMDO-UHFFFAOYSA-N 427.551 3.560 0 40 IHAB O=C(Nc1cccc(-n2cnnn2)c1)c1ccoc1COc1ccc(Br)cc1 26786614 YMAMSPCNEIYARS-UHFFFAOYSA-N 440.257 3.849 0 40 IHAB COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2cc(OC)cc(OC)c2)C12CCCC2 32103410 FLWSZLVBTQWDPO-JOCHJYFZSA-N 438.524 3.841 0 40 IHAB C[C@@H](OC(=O)c1ccc2c(c1)CCC(=O)N2)C(=O)N(c1nccs1)C1CCCCC1 32882927 IPSAUBMMXVDQPH-CQSZACIVSA-N 427.526 3.939 0 40 IHAB Cc1ccc(O)c(C(=O)N2CCC(C(=O)OCC(=O)Nc3ccc(Cl)cc3C)CC2)c1 32913731 JHEVBACOTFBGKF-UHFFFAOYSA-N 444.915 3.697 0 40 IHAB CCN1c2ccc(C(=O)NCCc3ccc(OC)cc3)cc2-c2ccccc2S1(=O)=O 33088711 RNKMXURTPCNXQM-UHFFFAOYSA-N 436.533 3.863 0 40 IHAB biogenic C[C@H]1Cc2cc(-c3csc(NC(=O)c4ccccc4F)n3)ccc2N1S(C)(=O)=O 35311399 PMQLIUNIUBHOIC-LBPRGKRZSA-N 431.514 3.912 0 40 IHAB C[C@@H]1CC[C@@H]2C(=O)N(c3cccc(OC(=O)[C@@H]4CC(=O)N(c5ccccc5)C4)c3)C(=O)[C@@H]2C1 35900281 WOJFIYOWTOKWHS-FTIBCMOBSA-N 446.503 3.571 0 40 IHAB COc1ccc(OC)c([C@H](C)NC(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1 36420491 WJGNMVSIQBRJAI-UWJYYQICSA-N 440.540 3.879 0 40 IHAB O=C(c1sccc1S(=O)(=O)NC1CC1)N1CCC(c2c[nH]c3ccccc23)CC1 40069841 UJQGOHGDMCCZHJ-UHFFFAOYSA-N 429.567 3.690 0 40 IHAB C[C@@]1(c2cccc(C(F)(F)F)c2)NC(=O)N(CC(=O)Nc2cccc(Cl)c2)C1=O 40116859 JHMSEQXHMBQRDA-SFHVURJKSA-N 425.794 3.765 0 40 IHAB Cc1cc2nc(COC(=O)c3cccc(NC(=O)c4ccccc4F)c3C)cc(=O)n2o1 41089621 NIEGHUPMQQNIRJ-UHFFFAOYSA-N 435.411 3.653 0 40 IHAB O=C(Nc1nnc(COc2ccccc2)s1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 49550939 KBKMVFKDKIIQGL-ZDUSSCGKSA-N 428.901 3.762 0 40 IHAB O=C(Nc1ccc(Cl)cc1)N1CCCN(C(=O)c2ccc3c(c2)OCCCO3)CC1 58082717 DDNCPOZYZWPPQX-UHFFFAOYSA-N 429.904 3.881 0 40 IHAB CN(C)[C@H](CNS(=O)(=O)c1cccc(C(F)(F)F)c1)c1cn(C)c2ccccc12 77171693 MCLQNSDDRNQTAT-LJQANCHMSA-N 425.476 3.778 0 40 IHAB O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc2c(c1)C(O)=Nc1cccnc1O2 79491807 NKUUXSDYCCADBX-UHFFFAOYSA-N 429.480 3.584 0 40 IHAB C[C@H]1CN(Cc2cccc(OCC(N)=O)c2)c2ccccc2CN1C(=O)OC(C)(C)C 95441413 XKSDGUFJXDFHHE-KRWDZBQOSA-N 425.529 3.697 0 40 IHAB COC(=O)[C@H](c1cccc(Cl)c1)N1CCN(C(=O)Nc2ccc(OC)c(C)c2)CC1 95456142 DRAXEXAZCMKWTK-FQEVSTJZSA-N 431.920 3.721 0 40 IHAB CCCc1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)s1 95482162 NPXCCSJRAWRLJW-UHFFFAOYSA-N 430.555 3.564 0 40 IHAB COc1ccc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)N2CCNC(=O)C2)cc1 96940586 QDZYSAGSBWLFHZ-SDXDJHTJSA-N 427.504 3.692 0 40 IHAB CN(CC1CC1)C[C@@H]1CCN(CC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)C1 106922620 NVRMVWKLVWAEII-AZUAARDMSA-N 426.586 3.683 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2)c2cccc(Cl)c2)cc1 113938038 YJLXQSOJZDZDKW-UHFFFAOYSA-N 444.940 3.860 0 40 IHAB CC[C@H](C(=O)NCCSCc1ccccc1)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220563677 HNMNCCGRJZNFHX-OAQYLSRUSA-N 434.627 3.898 0 40 IHAB CCOCCCNC(=O)c1ccc(CN(CC)S(=O)(=O)c2ccc(Cl)cc2)cc1 224461879 QODSQNDAFTYJGS-UHFFFAOYSA-N 438.977 3.707 0 40 IHAB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)COc1ccccc1OC 224593671 ZAQKERVPDGHOSA-NRFANRHFSA-N 426.557 3.962 0 40 IHAB CC[C@@H](NS(=O)(=O)c1nnc(NC(=O)c2ccc(C)cc2)s1)c1ccccc1C 224853152 ZTADGQKNECEPAY-QGZVFWFLSA-N 430.555 3.837 0 40 IHAB COc1ccc2c(c1)[C@@H](NC(=O)c1ccc(S(=O)(=O)N3CCCC3)cc1)CC(C)(C)O2 225570700 KXOCUANOLPHSFN-FQEVSTJZSA-N 444.553 3.512 0 40 IHAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCSC3CCCC3)cc2)cc1 225648797 GPCHFKXAOMBHPG-UHFFFAOYSA-N 448.610 3.926 0 40 IHAB CCc1cc(Br)cc(C)c1NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 226090391 OVPUUHUDIHVTJJ-UHFFFAOYSA-N 437.359 3.894 0 40 IHAB COc1cccc(C(=O)N(CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]45)[C@H]3C2=O)c2ccc(C)cc2)c1 226399410 QJZWTKQQZUCRIR-YWIRWFRESA-N 442.515 3.661 0 40 IHAB c1cncc(COc2ccccc2CN2CCOC[C@@H](Cc3nccn4cccc34)C2)c1 257220974 DNAQTAZDHKOTOO-QFIPXVFZSA-N 428.536 3.999 0 40 IHAB CC(C)c1n[nH]c(CC(=O)N2CCO[C@@H](c3cccc(Cc4cccc(Cl)c4)n3)C2)n1 257296360 RCMCOFSAKDUHRI-HXUWFJFHSA-N 439.947 3.710 0 40 IHAB C[C@@H](NC(=S)Nc1nc(N2CCOCC2)cc(N2CCCC[C@H]2C)n1)c1ccccc1 260720608 SOBSGYJXLDWPBD-QZTJIDSGSA-N 440.617 3.740 0 40 IHAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1C 408618953 GZLPMRTUQOQMDP-ZDUSSCGKSA-N 430.448 3.718 0 40 IHAB Cc1ccc(C)c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)c1 408672788 ZZNGVWMXVPCEBN-WOJBJXKFSA-N 432.476 3.555 0 40 IHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 408677109 ALRLCRMKLUKHSA-SFHVURJKSA-N 445.585 3.708 0 40 IHAB COc1cc(OC)c(OC)cc1/C=C1/SC(=O)N(CC(=O)Nc2cccc(F)c2)C1=O 409244674 HCUUHNGAOCQTHM-QGMBQPNBSA-N 446.456 3.527 0 40 IHAB O=S(=O)(NC[C@H](O)c1ccc(-c2ccsc2)cc1)c1ccc2c(c1)OCCCO2 575609757 GHUCOBRIUTWSCH-IBGZPJMESA-N 431.535 3.588 0 40 IHAB C[C@@H](NC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)c1nc(C(F)(F)F)no1 1536629226 HZQVCMAODNJEDF-MRVPVSSYSA-N 427.333 3.532 0 40 IHAB COc1ccc(N[C@H]2CSC3(C2)CN(S(=O)(=O)c2ccc4ncsc4c2)C3)cc1 2056224345 YZHFLVPUVRMQDL-OAHLLOKOSA-N 447.607 3.666 0 40 IHAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c(C)c1 683068 HLUFEURWVFTCSV-HNNXBMFYSA-N 431.539 3.967 0 40 IHAB CCOC(=O)c1nn(-c2cccc(C(F)(F)F)c2)c2nc(Nc3ccccc3)cc(=O)n12 1016755 XBOXVZJEYNFLFH-UHFFFAOYSA-N 443.385 3.819 0 40 IHAB Cc1cccc(C)c1OCC(=O)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O 3524633 BRNYITFORMGNIH-PDGQHHTCSA-N 428.485 3.674 0 40 IHAB Cc1cc(SCC(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)nc2ccccc12 5987256 GAKDCYXPEPWIBK-LJQANCHMSA-N 440.590 3.851 0 40 IHAB O=C(Cc1csc(N2CCCC2=O)n1)N1CCC[C@@H](c2nc3ccccc3s2)C1 8724482 FDVHYZRBTKRLOY-CQSZACIVSA-N 426.567 3.828 0 40 IHAB O=C(CC(=O)NC(=O)c1ccc(Cl)cc1Cl)NC(=O)c1ccc(Cl)cc1Cl 8887826 IEMIMFCUIJNNKY-UHFFFAOYSA-N 448.089 3.903 0 40 IHAB CCCc1nnc2n1N[C@H](c1ccc(OC)cc1)[C@@H](C(=O)Nc1ccc(OC)cc1)S2 9239117 JSZCYAHILMRIFC-UXHICEINSA-N 439.541 3.646 0 40 IHAB O=C(COC(=O)C1c2ccccc2Oc2ccccc21)Nc1ccccc1C(=O)NC1CC1 9284885 NSXGTGGXHCIXFV-UHFFFAOYSA-N 442.471 3.998 0 40 IHAB COc1ccc(NC(=O)CN(C)[C@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 9595479 SHNNIXXALNGOCC-GOSISDBHSA-N 445.519 3.824 0 40 IHAB Cc1cccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)c1 9632430 UGSJLDHZZCVFTI-UHFFFAOYSA-N 428.444 3.587 0 40 IHAB CC(=O)N1CCc2c(sc(NC(=O)c3ccc(Cc4ccccc4)cc3)c2C(N)=O)C1 9639459 KMMBLDQDYMUNNN-UHFFFAOYSA-N 433.533 3.595 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NC1CCCCCC1)n2CC 9669351 LUNZXDYIVQSRJF-UHFFFAOYSA-N 448.633 3.858 0 40 IHAB O=C(CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)N1CC[C@@H]2CCCC[C@@H]2C1 9764397 WGIFTAYATGWLIM-QWHCGFSZSA-N 438.899 3.676 0 40 IHAB CN(CCOc1ccc(Br)cc1)C(=O)CNC(=O)c1ccc2ccccc2c1 9782600 HGLAJKYDPQNTQE-UHFFFAOYSA-N 441.325 3.870 0 40 IHAB CC[C@](C)(C(=O)NC1CCCC1)N(C(=O)CNC(=O)c1ccccc1)c1ccc(C)cc1 9834882 BJHOWFXNJBNWLJ-AREMUKBSSA-N 435.568 3.986 0 40 IHAB CC(C)(C)c1ccc(N(CC(=O)NCCSC2CCCCC2)S(C)(=O)=O)cc1 10362772 FWZXOPCPBRISTL-UHFFFAOYSA-N 426.648 3.932 0 40 IHAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccccc2OCc2noc(C)n2)c1C 10562249 QLNJHYAGKCRVHO-AWEZNQCLSA-N 425.441 3.533 0 40 IHAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C 10905156 JVXUXHZVUJYSMX-UHFFFAOYSA-N 441.535 3.850 0 40 IHAB O=C([C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)N1CC=C(c2c[nH]c3ccccc23)CC1 11073388 JEFMWKDQQLYKMP-GOSISDBHSA-N 443.503 3.608 0 40 IHAB Cc1ccc(S(=O)(=O)CCCC(=O)Nc2nnc(Cc3ccc(Cl)s3)o2)cc1 11694690 USMIMXNNOHNFQI-UHFFFAOYSA-N 439.946 3.876 0 40 IHAB Cc1ccc(OCCN(C)C(=O)c2ccc(NC(=O)CSc3nccn3C)cc2)cc1 12507804 MJRJDMBWFDGXQT-UHFFFAOYSA-N 438.553 3.610 0 40 IHAB Cc1ccc(-c2nnc(SCC(=O)Nc3c(C)nn(-c4ccccc4)c3C)n2N)cc1 12634866 HACDXWXEXFDNLS-UHFFFAOYSA-N 433.541 3.501 0 40 IHAB NC(=O)[C@H]1CCCCN1CC(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1 12699224 CIXVNYXZJMEGBE-GOSISDBHSA-N 448.386 3.879 0 40 IHAB O=S(=O)(Cc1ccccc1)N1CCN(Cc2cc(-c3ccc(Cl)cc3)no2)CC1 12804492 MSYCLUQJEQAGCS-UHFFFAOYSA-N 431.945 3.643 0 40 IHAB COC(=O)C[C@@H](NS(=O)(=O)c1ccc(C)cc1Br)c1ccc(C)cc1 12871066 UMLDMRSVHNYQTG-MRXNPFEDSA-N 426.332 3.649 0 40 IHAB Cc1nc(COc2ccc(F)cc2)sc1C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 12889124 UPJYNRYEARPRMU-UHFFFAOYSA-N 438.484 3.678 0 40 IHAB CN(Cc1ccccc1Cl)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12931401 WOKDNPINHFRRPM-UHFFFAOYSA-N 447.000 3.888 0 40 IHAB CC[C@H](C)c1ccc(-c2csc(NC(=O)c3cnc4c(c3)c(=O)n(C)c(=O)n4C)n2)cc1 12934079 BJQCOBLVIOOSFM-ZDUSSCGKSA-N 449.536 3.522 0 40 IHAB Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccc(C(C)(C)C)cc2)c(=O)n(-c2ccccc2)n1C 13149428 WXNSUZBDGGRERA-QGZVFWFLSA-N 435.524 3.966 0 40 IHAB COc1cc(C(c2cc(OC)c(OC)c(OC)c2)[C@H]2COC(=O)[C@H]2C)cc(OC)c1OC 13462859 ZJYVHQGPYKVXQL-BBRMVZONSA-N 446.496 3.679 0 40 IHAB biogenic,in-vitro O=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2sccc21)Nc1ccc(Cl)cc1 13533541 SPRCUJAIERWFPG-UHFFFAOYSA-N 439.924 3.760 0 40 IHAB O=C(COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1ccc(Cl)cn1 15934747 PSHFLRJOJHWULG-UHFFFAOYSA-N 442.825 3.547 0 40 IHAB CCOC(=O)c1sc(N)c(C(=O)OCC)c1CSc1nnc(NC(C)C)s1 16050602 JIFURGVEDSSEIK-UHFFFAOYSA-N 430.577 3.648 0 40 IHAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C(=O)NCCN(C(C)C)C(C)C)cc1 16600140 WAGZNFRBMAIXAD-UHFFFAOYSA-N 435.565 3.784 0 40 IHAB CCn1c(/C(Cl)=C/c2ccc(F)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 18064689 OJULOADDCDSIMO-AQTBWJFISA-N 449.935 3.953 0 40 IHAB COc1cc2c(cc1CN1CCC([C@@H](NC(=O)C(C)(C)C)c3ccccn3)CC1)OCO2 19082016 WCERERVBMDWTHM-HSZRJFAPSA-N 439.556 3.935 0 40 IHAB COc1ccccc1C1(O)CCN(Cc2cn(CC(=O)NC(C)C)c3ccccc23)CC1 19449929 ZTAROMZMEIDUDY-UHFFFAOYSA-N 435.568 3.658 0 40 IHAB COc1ccccc1CN1C(=O)Cc2c(C)nc([C@@H]3CCCN(C(=O)C4CCCC4)C3)nc21 19743815 GVUFHQJFFJQLOC-HXUWFJFHSA-N 448.567 3.779 0 40 IHAB Cc1nc([C@H]2CCCN(C(=O)c3cccnc3)C2)nc2c1CCCN2Cc1ccccn1 19753010 SVFGDBMEWSKYMC-FQEVSTJZSA-N 428.540 3.548 0 40 IHAB Cc1ccc(N(CC(=O)NCc2ccc(F)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 19933978 IIVMIUYKXQAEPG-UHFFFAOYSA-N 430.476 3.785 0 40 IHAB COc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1S(=O)(=O)N1CCCCC1 20024959 SGNCBTORXOAOMS-HXUWFJFHSA-N 428.554 3.677 0 40 IHAB COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)Nc1cccc(Cl)c1C)=C2C 20063965 YNRWUIOWRMSTPK-UHFFFAOYSA-N 436.917 3.815 0 40 IHAB Cc1ccc(C)c(N(CC(=O)Nc2cccc(C(F)(F)F)c2)S(=O)(=O)N(C)C)c1 20244628 OEDKVMONVWVHJQ-UHFFFAOYSA-N 429.464 3.574 0 40 IHAB CC(C)Oc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)C(F)(F)F)CC3)cc2)c1 20528487 NMNNSEQURJNDRB-UHFFFAOYSA-N 435.446 3.937 0 40 IHAB O=C(c1ccccc1Cl)N1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 20612005 HCLLLCHUUYRCQX-UHFFFAOYSA-N 425.960 3.537 0 40 IHAB CSCC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1ccccc1Cl 21873198 VKPWROFKYNDIHV-KRWDZBQOSA-N 447.409 3.710 0 40 IHAB Nn1c(SCC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)nnc1-c1cccs1 23074566 HPMPAKYZSDJDIN-UHFFFAOYSA-N 437.554 3.514 0 40 IHAB Cc1nc(-c2ccc(CNC(=O)CCn3cnc4sc(C)c(C)c4c3=O)o2)cs1 23447310 HRJWFWGLLOGMJY-UHFFFAOYSA-N 428.539 3.806 0 40 IHAB CCn1c(=O)n(CC(=O)N[C@@H](c2ccccc2)c2ccc3nc[nH]c3c2)c2ccccc21 25037108 ZTXBLPIVOOVSMI-DEOSSOPVSA-N 425.492 3.605 0 40 IHAB COc1ccc([C@H]2CCCN2C(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1OC 25612373 SLBCGRVGLXZRNB-JQZCCEMDSA-N 426.557 3.700 0 40 IHAB CC(=O)N1CCc2cc(NC(=O)C3(S(=O)(=O)c4cc(C)ccc4C)CCCC3)ccc21 32410826 PQNASGNJDJRBJB-UHFFFAOYSA-N 440.565 3.938 0 40 IHAB COc1cc(C2SCCS2)ccc1OS(=O)(=O)c1ccc(CNC(C)=O)s1 32550265 POOXMTWAIMDYLQ-UHFFFAOYSA-N 445.609 3.639 0 40 IHAB O=C(Nc1ccc2oc(C3CC3)nc2c1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 32818727 NVUZRWYLOQGFMG-HNNXBMFYSA-N 443.500 3.884 0 40 IHAB CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccc(NC(=O)c2ccco2)s1 32895915 JQGLDIPNRPJLRB-UHFFFAOYSA-N 425.510 3.702 0 40 IHAB O=C(c1ccccc1OC(F)F)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 32909921 NQPQICSKHODHSZ-UHFFFAOYSA-N 428.357 3.905 0 40 IHAB COc1ccc(C(=O)Nc2ccc(C)c(OCc3cc(=O)n4ccccc4n3)c2)cc1OC 33268559 BAMIYONUFOVHEP-UHFFFAOYSA-N 445.475 3.851 0 40 IHAB O=C(CCN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O)Nc1ccc(C(=O)O)c(O)c1 33543848 ABOYZVUDLVUSGD-DFBITEFZSA-N 438.461 3.712 0 40 IHAB CC1(C)S[C@H]2c3ccccc3C(=O)N2[C@H]1C(=O)NCCC(=O)Nc1ccc2[nH]ccc2c1 36579824 NUNSYMMDKWBLQK-REWPJTCUSA-N 448.548 3.661 0 40 IHAB Cc1cc(C)cc(NC(=O)Cn2nc3c4cc(-c5ccc(C)c(C)c5)nn4ccn3c2=O)c1 38487219 WVLPXRUGELPNDZ-UHFFFAOYSA-N 440.507 3.683 0 40 IHAB CCN1C(=O)/C(=C/c2cn(CCOc3ccc4c(c3)OCO4)c3ccccc23)NC1=S 39556715 ZQUQFVUHBWAMLS-WQRHYEAKSA-N 435.505 3.527 0 40 IHAB Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NC1=NS(=O)(=O)c2ccccc21 40157180 LBUVVDJCIYHMII-UHFFFAOYSA-N 442.500 3.727 0 40 IHAB Cc1ccc([C@@H](C)NC(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1C 44856435 GEKZLUCGDIIKBK-FOIQADDNSA-N 436.961 3.751 0 40 IHAB O=C(CCc1ccc(-c2ccccc2)o1)NCCC(=O)N1CCN(c2ccccc2)CC1 58154642 TVZHUAKXDFAHLB-UHFFFAOYSA-N 431.536 3.734 0 40 IHAB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)N(Cc1cccc(O)c1)C1CCC(O)CC1 58162151 NQJRTDSOGMQEEB-UHFFFAOYSA-N 448.527 3.718 0 40 IHAB O=C(CN1CCN(c2ccccc2O)CC1)N(CCc1ccccc1)Cc1cccs1 58172367 KCCMJTTWNCFCBV-UHFFFAOYSA-N 435.593 3.847 0 40 IHAB CCn1c(SCC(=O)NCc2cccc(OCC(F)(F)F)c2)nnc1-c1ccco1 60459572 ZHIPRGSWLZAWNW-UHFFFAOYSA-N 440.447 3.908 0 40 IHAB COCCCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3cc(F)ccc3C)c2c1=O 65113558 QUJWIOLFTOJJOA-UHFFFAOYSA-N 448.498 3.988 0 40 IHAB CSc1ccc(CNC(=O)c2snc(C(=O)NCc3ccccc3Cl)c2N)cc1 67246163 VALWSXKWFPYYJY-UHFFFAOYSA-N 446.985 3.961 0 40 IHAB Cc1cccc(N(C)C(=O)Cn2nc3c(Sc4ccc(C)cc4C)nccn3c2=O)c1 67255675 NWHAFCZMAYZPKS-UHFFFAOYSA-N 433.537 3.630 0 40 IHAB O=C(/C=C/c1ccc(I)o1)NCc1cccnc1N1CCCCC1 71831473 JKRXUXUUSAKIDO-VQHVLOKHSA-N 437.281 3.599 0 40 IHAB CC(C)Cc1noc(CN2CCC([C@H]3CCCCCN3C(=O)C3CCOCC3)CC2)n1 71890556 WZHXJGLSEAJRSB-OAQYLSRUSA-N 432.609 3.678 0 40 IHAB Cc1cc2nc([C@H]3CCCN(C(=O)c4noc5c4CCCC5)C3)cc(C(F)(F)F)n2n1 72340935 WTAOURSZGVPNCK-ZDUSSCGKSA-N 433.434 3.943 0 40 IHAB Cc1cc(-c2cnc(N)nc2)cc([C@H]2CCCN(C(=O)CCOc3cccc(F)c3)C2)n1 72353726 NQEREPXMNFNIPF-KRWDZBQOSA-N 435.503 3.743 0 40 IHAB Cc1cc(C)nc(Nc2cccc([C@@H]3CCCN3C(=O)c3c(C)cc(C)n(C)c3=O)n2)n1 72375532 QJNSKTZJRZMUNU-IBGZPJMESA-N 432.528 3.525 0 40 IHAB Cc1nc([C@H]2CCCN2C(=O)c2cccnc2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 72378138 LMFNOTGNDFMNRM-OAQYLSRUSA-N 445.498 3.776 0 40 IHAB O=C(NCCn1nc(-c2cccs2)n(C2CC2)c1=O)C1(c2cccs2)CCCC1 96096648 RQCFNVKDJILWGV-UHFFFAOYSA-N 428.583 3.798 0 40 IHAB CN(C)CCNC(=O)C[C@H]1CC2(CCN(C(=O)c3ccc(F)cc3)CC2)c2ccccc21 96242216 LETDGWQRFAHJDD-FQEVSTJZSA-N 437.559 3.555 0 40 IHAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 102570092 UNIVTLIREBHSFL-HZPDHXFCSA-N 449.454 3.642 0 40 IHAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)N[C@@H](C)c3ccc(C)c(C)c3)s2)cc1 224041470 OPKIEWURBXMIHN-HNNXBMFYSA-N 430.555 3.755 0 40 IHAB CCC[C@]1(C(=O)OCC)N[C@H](c2ccccc2F)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 245229919 ILKNXVBYDHWGND-ZSTWQFLISA-N 442.462 3.517 0 40 IHAB CCOc1ccc(S(=O)(=O)NC[C@@](O)(c2ccsc2)c2cccs2)cc1F 253405813 TUVAFMLXYODXHR-GOSISDBHSA-N 427.544 3.562 0 40 IHAB Cc1ccc2nc(O)c([C@H](c3nnnn3C3CCCCC3)N3CCN4CCC[C@H]4C3)cc2c1 253499118 PDTZOUQQAWYXDX-NZQKXSOJSA-N 447.587 3.610 0 40 IHAB NC(=O)c1ccc(-c2cccc([C@@H]3CN(C(=O)CCCc4ccc(F)cc4)CCO3)n2)cc1 257248032 JBTBUSRRFQIDIM-DEOSSOPVSA-N 447.510 3.909 0 40 IHAB CC[C@H](NC(=O)[C@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O)c1ccc(OC)c(C)c1 260769889 SGNLORFNJGLBEF-LIRRHRJNSA-N 440.512 3.704 0 40 IHAB Cc1nc(CN2CC[C@]3(CN(Cc4ccco4)C[C@@H]3c3cn(C(C)C)cn3)C2=O)cs1 306145170 ZZYUBXUSCVRKCT-NFBKMPQASA-N 439.585 3.840 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCc1ccccc1)c1ccc(F)cc1 408587095 QADFFTBXSZWFOV-UHFFFAOYSA-N 442.512 3.654 0 40 IHAB Cc1ccc(C)c(NC(=O)COC(=O)CCC(=O)Nc2ccc(Br)cc2)c1 408664508 RCJDLEZZXUKPFT-UHFFFAOYSA-N 433.302 3.967 0 40 IHAB Cc1ccccc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@H]3C[C@@H](C)CC[C@H]3C2=O)cc1 408667796 SYXOGCVQTCEVHO-BEVDRBHNSA-N 434.492 3.716 0 40 IHAB CCN1C(=O)N/C(=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)C1=O 409175451 ZKLQSJRIFPFJRS-MHWRWJLKSA-N 431.286 3.949 0 40 IHAB Cc1cccc(-n2cccc2/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c1C 409218912 YGPZALJEBDXIAW-DEDYPNTBSA-N 432.455 3.765 0 40 IHAB O=C(CN1CCC(O)(Cc2ccccc2F)CC1)N[C@@H](c1ccccc1)c1nccs1 1116836630 GYYFTUTYYBTMIH-QFIPXVFZSA-N 439.556 3.557 0 40 IHAB COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccc(Br)c2)N1C(C)=O 2150056 VXHCBMUTXVNYLG-UYAOXDASSA-N 427.298 3.966 0 40 IHAB biogenic COCCCNC(=O)c1c(N)n(-c2cccc(C(F)(F)F)c2)c2nc3ccccc3nc12 2198735 FMGDXCCGWHYODY-UHFFFAOYSA-N 443.429 3.941 0 40 IHAB CCOc1cc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC(=O)NCc2ccccc2)ccc1O 2331059 NKBFIPOZZNNWSJ-RMUDUWAUSA-N 438.568 3.775 0 40 IHAB Nn1c(SCC(=O)Nc2cccc(Br)c2)nnc1-c1ccccc1Cl 2366978 AKDVVACRFHZIAJ-UHFFFAOYSA-N 438.738 3.806 0 40 IHAB CCCOc1cccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)c1 2589388 PHNIWWKMPQWDGD-LBPRGKRZSA-N 431.583 3.887 0 40 IHAB CCOC(=O)c1[nH]c(C)c(C(=O)O[C@H](C)C(=O)Nc2ncc(Cl)cc2Cl)c1C 3306221 MBBJSPOZIYCHNF-SNVBAGLBSA-N 428.272 3.694 0 40 IHAB O=C(CSc1nc2ccccc2c(=O)n1Cc1ccco1)Nc1cccnc1Cl 3372085 TVYUFGOYRQMABE-UHFFFAOYSA-N 426.885 3.817 0 40 IHAB COc1ccccc1N1CCN(C(=O)C2CCN(Cc3ccccc3Cl)CC2)CC1 9063200 NAJFEUOEKFNGSF-UHFFFAOYSA-N 427.976 3.909 0 40 IHAB COc1ccc(OCc2nnc(S[C@H]3C[C@@H](C)OC3=O)n2-c2ccccc2F)cc1 9205375 WMUGSACXVCHCSY-ACJLOTCBSA-N 429.473 3.790 0 40 IHAB O=C(CSc1nnc2ccc(-c3ccncc3)nn12)Nc1cccc(C(F)(F)F)c1 9241440 NUIAINMNSOCDDU-UHFFFAOYSA-N 430.415 3.936 0 40 IHAB CCc1nnc(NC(=O)CSc2nnc(COc3ccccc3C(C)C)n2C)s1 9289960 VGYQIVLAGNCJBD-UHFFFAOYSA-N 432.575 3.662 0 40 IHAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCCn3ccnc3)ccc2Cl)c(C)c1 9356268 YLFCLLZEYPDGSO-UHFFFAOYSA-N 446.960 3.774 0 40 IHAB O=C(COC(=O)c1cccc(OCc2ccccc2)c1)Nc1ccccc1C(=O)NC1CC1 9393370 YGPKQFHKNXIGHI-UHFFFAOYSA-N 444.487 3.953 0 40 IHAB Cc1cc(OCC(=O)N(Cc2ccccc2Cl)[C@H]2CCS(=O)(=O)C2)ccc1Cl 9460802 DDUBVVQEGDGBDL-INIZCTEOSA-N 442.364 3.897 0 40 IHAB O=C(CSc1nnc(-c2cccs2)n1C1CC1)Nc1ccc(N2CCOCC2)cc1 9461272 KGWJMMXJIXLRCX-UHFFFAOYSA-N 441.582 3.909 0 40 IHAB CCN(CC)c1ccc(NC(=O)N[C@H]2CC(=O)N(c3ccc(OC)c(OC)c3)C2)c(C)c1 9568846 PKMOYBCRMIQNTA-KRWDZBQOSA-N 440.544 3.785 0 40 IHAB CCc1ccc(-c2nc(C)c(C(=O)NCc3ccccc3S(=O)(=O)N(C)C)s2)cc1 9899397 VBNSTVZXHGNOCE-UHFFFAOYSA-N 443.594 3.861 0 40 IHAB CSc1cccc(N2C[C@@H](C(=O)N3CCC(C(=O)Nc4ccccc4)CC3)CC2=O)c1 10444781 UGGPITQINXPKFM-SFHVURJKSA-N 437.565 3.639 0 40 IHAB CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1N1CCCC1=O 12552603 SXHLQOZNJANYHF-UHFFFAOYSA-N 439.331 3.775 0 40 IHAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NC[C@H](c2ccco2)N2CCCC2)cc1 12683817 JTHKAIIYZHBIDV-HSZRJFAPSA-N 442.519 3.854 0 40 IHAB CCCNC(=O)[C@@H]1CN(C(=O)c2cccc(OCc3c(C)noc3C)c2)c2ccccc2O1 12688790 WLPCRJKJZOKRJO-QHCPKHFHSA-N 449.507 3.804 0 40 IHAB COc1cc(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc(Cl)c1OC 12745953 UINAIFZZYZDSDV-UHFFFAOYSA-N 445.899 3.864 0 40 IHAB COc1cc(CN(C)C(=O)c2ccc(CNC(N)=O)cc2)ccc1OCc1ccccc1 12767779 UNHMCXRQYWNSRT-UHFFFAOYSA-N 433.508 3.715 0 40 IHAB COc1cc2nc(NC(=O)c3cccc(NC(=O)[C@H]4CCCO4)c3)sc2cc1OC 12792847 BDXWMKWXKYWRIU-OAHLLOKOSA-N 427.482 3.683 0 40 IHAB COc1ccc(CCCN(C)S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1OC 12865714 QSCLPCUMQVFAQD-UHFFFAOYSA-N 433.448 3.856 0 40 IHAB CC[C@H](C)[C@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1)C(=O)OC 12890974 JPUZZTXJISQPDB-IRBZQWRBSA-N 440.540 3.949 0 40 IHAB biogenic O=C(O)[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 12926798 SDWGBSQMFXTECB-ROUUACIJSA-N 434.901 3.746 0 40 IHAB C[C@@H]1CCc2sc(C(=O)N3CCN(S(=O)(=O)/C=C/c4ccccc4)CC3)cc2C1 13129623 QOKNRYODRLZSJR-RKCSUWQLSA-N 430.595 3.631 0 40 IHAB Cc1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)cc1F 13141495 QCJGFOWBGBJOPZ-UHFFFAOYSA-N 446.434 3.726 0 40 IHAB Cc1cc(C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)COc4ccccc4F)C3)cc2n1 13225527 NXWZWZARXJGKRV-CQSZACIVSA-N 436.409 3.981 0 40 IHAB COc1cc2c(cc1OC)[C@H](C)N([C@@H]1CC(=O)N(c3cccc(C(F)(F)F)c3)C1=O)CC2 13576852 ATTOXUAMESEZOQ-SCLBCKFNSA-N 448.441 3.974 0 40 IHAB COc1ccc(-c2noc(CN([C@@H]3CCCc4ccccc43)S(C)(=O)=O)n2)c(OC)c1 13625491 IITCNOCTWKRFLU-LJQANCHMSA-N 443.525 3.593 0 40 IHAB COc1ccc(-c2c(C)oc3cc(OCC(=O)N4C[C@H](C)O[C@H](C)C4)ccc3c2=O)cc1 13681044 GTZJSVYDWGHYMA-IYBDPMFKSA-N 437.492 3.792 0 40 IHAB biogenic CCn1c(CNC(=O)c2ccccc2C)nnc1SCC(=O)Nc1cccc(C)c1C 13880116 PCAFKXSHKAKDPU-UHFFFAOYSA-N 437.569 3.884 0 40 IHAB Cc1ccc(NC(=O)c2cc(Cl)nc(Cl)n2)cc1S(=O)(=O)N1CCCCC1 14134862 PBBKTLUYSRADGG-UHFFFAOYSA-N 429.329 3.519 0 40 IHAB O=C(CN1CCN(C(=O)c2ccc3noc(-c4ccccc4)c3c2)CC1)N1CCCCCC1 14141784 XVPYREQUZOCPQA-UHFFFAOYSA-N 446.551 3.655 0 40 IHAB COc1cc(C(=O)N(C)CC(=O)Nc2cc(C)ccc2C)cc(OC)c1Br 14184075 OMNIZIRJIKHQGB-UHFFFAOYSA-N 435.318 3.794 0 40 IHAB CC(C)c1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c2ccccc2n1 14190198 SQRDZLIRVOUZLF-UHFFFAOYSA-N 441.528 3.644 0 40 IHAB C[C@H]1Oc2ccc(NC(=O)c3cccc(OCc4cn5ccccc5n4)c3)cc2NC1=O 15480150 NHPKPUHUKIFJQU-OAHLLOKOSA-N 428.448 3.885 0 40 IHAB CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2[C@@H]2CCCN21 16010326 HZYCSTGPMZDQJH-UGCAPWQASA-N 449.938 3.642 0 40 IHAB COc1ccc(/C=c2\sc3nc(/C=C/c4ccc(Cl)cc4)nn3c2=O)cc1OC 16735449 QQSSTNRKEOOCOU-AWTFBBCTSA-N 425.897 3.540 0 40 IHAB COc1cn(-c2ccccc2)nc1C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl 18215970 DZPDVEXXAAOBJX-UHFFFAOYSA-N 439.825 3.790 0 40 IHAB O=S(=O)(c1cccc(F)c1)N1CCC[C@H](c2nnc(-c3nccc4ccccc34)o2)C1 19376426 VDGHATZELJRPAH-INIZCTEOSA-N 438.484 3.992 0 40 IHAB CC(C)[C@@H](NC(=O)COc1ccccc1F)c1cc(O)n2nc(-c3cccnc3)cc2n1 19445487 VSJSTFAYVNIGPQ-HSZRJFAPSA-N 435.459 3.528 0 40 IHAB CCN1CCN(C(=O)[C@H](C)n2nccc2C)C[C@H](Cc2ccccc2-c2ccccc2)C1=O 19527635 WAGVPMAJKGLTCM-URXFXBBRSA-N 444.579 3.969 0 40 IHAB CN(C)C(=O)[C@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)c2cnccn2)C1 19579481 DSMRDZGQRPZZIF-DEOSSOPVSA-N 434.565 3.758 0 40 IHAB COCCN1CC=CC[C@@H](C2CCN(Cc3cnc(-c4ccc(C)cc4)nc3)CC2)C1=O 19698474 IWOVLKFEKQHGFJ-DEOSSOPVSA-N 434.584 3.715 0 40 IHAB Cc1nc([C@H]2CCCN2CC(=O)Nc2ccc(F)cc2)ncc1C(=O)Nc1ccccc1 19753287 YWAXJNVOIQCTQJ-OAQYLSRUSA-N 433.487 3.952 0 40 IHAB CCOc1cccc(CNC(=O)[C@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c1 20047366 BTMZPNHCIZLMAY-ZDUSSCGKSA-N 445.368 3.863 0 40 IHAB COc1cc2ncn(CC(=O)Nc3ccc(OCc4ccccc4)cc3)c(=O)c2cc1OC 20733610 RVKKVCYUDBMTQS-UHFFFAOYSA-N 445.475 3.631 0 40 IHAB O=C(CN1N=C(c2ccccc2F)c2cc(Cl)ccc2S1(=O)=O)Nc1ccccc1 21942600 LMXIJBPCBCQKFC-UHFFFAOYSA-N 443.887 3.875 0 40 IHAB C[C@H]1C[C@@H](C)CN(Cc2csc(NC(=O)c3ccc(CN4C(=O)CCC4=O)cc3)n2)C1 22294887 NHUPRFMOZKTJOB-IYBDPMFKSA-N 440.569 3.522 0 40 IHAB COc1ccc(CNC(=O)N2CCN(Cc3nc(-c4cccs4)cs3)CC2)cc1 22606408 YVQXTLJMWSSCNZ-UHFFFAOYSA-N 428.583 3.908 0 40 IHAB C[C@H]1CCC[C@H](C)C12NC(=O)N(CN1CCN(Cc3csc4ccccc34)CC1)C2=O 22933738 UNNUTSFNDHWWMU-ROUUACIJSA-N 440.613 3.723 0 40 IHAB CC(C)n1c(S[C@@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)nc2ccccc2c1=O 23222865 WCZCNPTYAJJCEA-AWEZNQCLSA-N 445.566 3.712 0 40 IHAB O=C(COC(=O)c1ccccc1NC(=O)c1ccccc1)Nc1ccc2c(c1)OCCCO2 23538233 SIFAQCOLTCYOJA-UHFFFAOYSA-N 446.459 3.896 0 40 IHAB O=C(c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)N1CCN(Cc2cccs2)CC1 23735517 SRIRUJWGEJHPFE-UHFFFAOYSA-N 445.544 3.502 0 40 IHAB O=C(c1ccc(OCc2cn3ccccc3n2)cc1)N1CCN(Cc2cccs2)CC1 23737027 YVJWOIXVPQTLJZ-UHFFFAOYSA-N 432.549 3.933 0 40 IHAB Cc1ccc([C@H](CN2CCOCC2)NC(=O)c2ccc(OCc3c(C)noc3C)cc2)cc1 23883307 FDQPLAJBYSDMJE-VWLOTQADSA-N 449.551 3.982 0 40 IHAB O[C@@H](COc1cccc2ccccc12)Cn1nnc(-c2ccccc2Br)n1 24831621 DZUHQCODRATGHZ-OAHLLOKOSA-N 425.286 3.696 0 40 IHAB CSc1ccc(S(=O)(=O)NCCSC2CCCCC2)cc1C(=O)N1CCCC1 26114945 JJLPTGVYSSIKLW-UHFFFAOYSA-N 442.672 3.989 0 40 IHAB COc1ccc(N2C[C@@H](C(=O)N3CCC(c4c[nH]c5ccccc45)CC3)CC2=O)c(OC)c1 32882675 OWTVWNGHWVMNRQ-SFHVURJKSA-N 447.535 3.944 0 40 IHAB CCn1c(SCC(=O)NCc2ccccc2)nnc1[C@@H](C)NC(=O)c1ccccc1C 33717271 FZBRQXQGOPYGGI-QGZVFWFLSA-N 437.569 3.506 0 40 IHAB COc1ccc(C(=O)N2CCc3ccccc3C2)cc1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1 36646689 PFNXMUMYLJYQIC-HDICACEKSA-N 442.581 3.560 0 40 IHAB COc1ccc(-c2csc3c(=O)[nH]c(N4CCN(Cc5ccccc5)CC4)nc23)cc1 44169312 DKTLHBKETVRJDV-UHFFFAOYSA-N 432.549 3.982 0 40 IHAB Cc1ccc(C(=O)C2CCN(C(=O)[C@@H]3CCCN(C(=O)N4CCCC4)C3)CC2)c(C)c1 48260194 QHMQJLSPKKMNCJ-OAQYLSRUSA-N 425.573 3.653 0 40 IHAB COc1cccc(Cn2c(SCC(=O)N3CCCCC3)nc3ccsc3c2=O)c1 57426182 AHUXNCBCRRQLQR-UHFFFAOYSA-N 429.567 3.620 0 40 IHAB CCN(CC)CCNc1nc(-c2ccncc2)nc2c1CCN(Cc1ccc(OC)cc1)C2 57743639 OJBFGAGWGKSYMQ-UHFFFAOYSA-N 446.599 3.859 0 40 IHAB CN1N=C(C(=O)Nc2ccc(NC(=O)c3ccc(F)cc3)cc2C(F)(F)F)CCC1=O 58910608 AMCXYLJOOMKWNN-UHFFFAOYSA-N 436.365 3.644 0 40 IHAB COC(=O)CCNC(=O)CCc1c(C)c2cc3c4c(oc3c(C)c2oc1=O)CCCC4 62001664 NCVXVYXWYVFWFP-UHFFFAOYSA-N 425.481 3.647 0 40 IHAB biogenic Cc1ccc(Sc2nccn3c(=O)n(CC(=O)Nc4ccccc4Cl)nc23)c(C)c1 67255573 QIEAWSXMCOWOJE-UHFFFAOYSA-N 439.928 3.951 0 40 IHAB Cc1nc(-c2cccc(NC(=O)[C@@H]3CCCN(c4cc(-n5cccn5)ncn4)C3)c2)cs1 70656020 UDXLPBZPGGCZMS-GOSISDBHSA-N 445.552 3.949 0 40 IHAB CCCN1CCN(C(=O)c2cnc(C)cn2)[C@H](Cc2cccc(-c3cccs3)c2)C1=O 72351781 WXRWKEXSQWAOOA-OAQYLSRUSA-N 434.565 3.819 0 40 IHAB CC1=NN(CCC(=O)N2CCC(c3nc(N(C)C)ncc3-c3cccc(F)c3)CC2)CC1 72376680 GYKXVXOPVISBEA-UHFFFAOYSA-N 438.551 3.526 0 40 IHAB COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)Nc2ccc(F)cc2OC)CC1 95456132 KRQFPJJXZLPKSJ-LJQANCHMSA-N 435.883 3.552 0 40 IHAB O=C(C[C@@H](Cn1cnnn1)c1ccc(Cl)cc1)NCCc1c[nH]c2ccc(Cl)cc12 95473352 VYCWZONODUPBET-INIZCTEOSA-N 443.338 3.994 0 40 IHAB COc1ccc(C(=O)COc2ccccc2N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1 100838224 KZYGSDRQJMDQRQ-GSGMYTQPSA-N 429.472 3.514 0 40 IHAB CCCNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3c(C)cc(C)cc3C)cc2)C1 142222932 COHNBLKLSUDRSL-IBGZPJMESA-N 437.540 3.508 0 40 IHAB CN(CC(=O)NCCCc1ccccc1Cl)S(=O)(=O)c1ccc2ccccc2c1 219702515 YKQJAVFEDLMAHG-UHFFFAOYSA-N 430.957 3.863 0 40 IHAB COc1ccc(CN(C)C(=O)[C@H](C)N(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 220187676 VQHVYGXOAXXSOA-AWEZNQCLSA-N 444.475 3.527 0 40 IHAB CCc1cccc(CC)c1NC(=O)[C@H](C)N(c1cc(OC)ccc1OC)S(C)(=O)=O 220215231 VDVGJHXRBHQZKG-HNNXBMFYSA-N 434.558 3.622 0 40 IHAB CCc1ccc([C@@H](C)NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 222558523 UJVDGEHCGDFHRR-VLIAUNLRSA-N 436.961 3.697 0 40 IHAB Cc1ccc(C(=O)NCCSCc2ccccc2F)cc1N1CCCCS1(=O)=O 222572007 VRCNGVMYWYQLCU-UHFFFAOYSA-N 436.574 3.727 0 40 IHAB Cc1ccccc1N(CC(=O)NCCOCc1ccccc1)S(=O)(=O)c1ccccc1 223462623 MSNJNFLJLCTVCS-UHFFFAOYSA-N 438.549 3.523 0 40 IHAB OCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1nc2ccccc2s1 223607435 SDPQRNNRNXWNJN-PMACEKPBSA-N 435.578 3.837 0 40 IHAB CC[C@H](C(=O)NCCOc1ccc(Cl)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 224306361 CTNJWUDGXNFAMK-GOSISDBHSA-N 445.368 3.733 0 40 IHAB CN(Cc1ccc(C(=O)NCCCOC2CCCCC2)cc1)S(=O)(=O)c1ccccc1 224416768 UAOXZGUUQMFBMZ-UHFFFAOYSA-N 444.597 3.977 0 40 IHAB CC[C@@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)COc1ccccc1OC 224603880 GZLHNUGYHRQMEV-QFIPXVFZSA-N 438.568 3.983 0 40 IHAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)[nH]1 225386294 XLHJICGLXFHLCO-UXHICEINSA-N 441.582 3.575 0 40 IHAB CCn1c(=O)sc2cc(S(=O)(=O)NCCSCc3ccc(Cl)cc3)ccc21 225688128 LETRENVHQIEEMX-UHFFFAOYSA-N 443.015 3.948 0 40 IHAB COc1ccc(-c2nnsc2C(=O)N(C)Cc2cc(OC)c(OC)c(OC)c2)cc1 225886426 AIUIAAPTFKPLRU-UHFFFAOYSA-N 429.498 3.512 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccc3sncc3c2)cc1C 226065222 VWOOLPHYUYNNSD-UHFFFAOYSA-N 433.555 3.653 0 40 IHAB COCCOc1cccc(CN2CCC[C@@H](c3n[nH]cc3C(=O)N3CCCCCC3)C2)c1 257206742 BESXGFYTMAEACI-OAQYLSRUSA-N 440.588 3.831 0 40 IHAB CC(=O)NCc1cc([C@H]2CCCN2C(=O)C2(Cc3ccccc3F)CCOCC2)ccn1 257233561 GPTDBANURFDEIY-HSZRJFAPSA-N 439.531 3.560 0 40 IHAB Cc1ccc([C@@H](C)C(=O)N2CCC[C@H](c3nc(C)c(CC(=O)NC4CC4)c(C)n3)C2)cc1 257273309 NGBOSVDHUBFACE-UTKZUKDTSA-N 434.584 3.733 0 40 IHAB CC(C(=O)N1CCC[C@H](c2[nH]ncc2S(C)(=O)=O)C1)(c1ccccc1)c1ccccc1 257301676 RZJKAAQXPAQKLT-SFHVURJKSA-N 437.565 3.525 0 40 IHAB COc1cccc(OC)c1C(=O)N1CCC(c2cncc(Nc3ncccc3C)n2)CC1 257314933 UZFAAINWAIDIAU-UHFFFAOYSA-N 433.512 3.961 0 40 IHAB CCOc1ccc(COC)cc1CN1CCO[C@H](c2cccc(Nc3cnccn3)n2)C1 257318443 VNXYSPJDYPQRGG-QFIPXVFZSA-N 435.528 3.734 0 40 IHAB Cc1nc2ccc(C(=O)N3CCO[C@@H](c4cccc(Nc5nncs5)n4)C3)cc2s1 257328052 XDXGLPFLQFTSJE-MRXNPFEDSA-N 438.538 3.809 0 40 IHAB Cc1cccnc1Nc1cncc(C2CCN(C(=O)[C@@H]3CC(=O)OC34CCCCC4)CC2)n1 257329280 XJEJSBIZEIFRQY-IBGZPJMESA-N 449.555 3.896 0 40 IHAB CCOc1cc(/C=C2\SC(=N)NC2=O)cc(Cl)c1OS(=O)(=O)c1ccccc1 408899206 ZVINKWDLJDGYLW-GDNBJRDFSA-N 438.914 3.645 0 40 IHAB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)OC)ccc3C)o2)C1=O 408917665 ZNXWPRWPJFGXMX-LICLKQGHSA-N 429.450 3.641 0 40 IHAB CCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1OC 408931567 NEHGJQYEVTVYMR-WQRHYEAKSA-N 430.457 3.908 0 40 IHAB COc1ccc([C@H]2[C@@H](NC(=O)c3ccc(C)cc3)C(=O)N/[N+]2=C\c2ccccc2Cl)cc1 409055543 CJWJASLZEAXRSK-WSBKAMHLSA-O 448.930 3.673 0 40 IHAB COc1cc(Br)c(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc1OC 409247558 IFTZVYWYNGTVHC-LZYBPNLTSA-N 431.286 3.868 0 40 IHAB CCc1noc(C)c1CNC(=O)C12CCC(C(=O)NCc3c(CC)noc3C)(CC1)CC2 501017809 CANVJNTVJDGQJD-UHFFFAOYSA-N 442.560 3.677 0 40 IHAB COc1cccc(-c2cccc(CN3CCC[C@@H](Cc4n[nH]cc4S(C)(=O)=O)C3)c2)c1 1848352746 NDJDPJZNVDIHDA-IBGZPJMESA-N 439.581 3.944 0 40 IHAB Cc1ccccc1N1CCN(C(=O)c2ccccc2NC(=O)c2ccccc2C(=O)O)CC1 627687 XWZYZGBJFKCHED-UHFFFAOYSA-N 443.503 3.908 0 40 IHAB CC1CCN(S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)CC1 670870 XJFUSGFGYAFUJC-UHFFFAOYSA-N 428.963 3.561 0 40 IHAB COc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc(Cl)c3Cl)CC2=O)cc1 800385 CDQZLKPTJNFECG-GFCCVEGCSA-N 437.279 3.537 0 40 IHAB COc1ccc(C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)Cc2ccccc2OC)cc1 1359094 ILITVKKWCTXCAZ-UHFFFAOYSA-N 429.476 3.783 0 40 IHAB COc1ccc2c(C)c(CCC(=O)N[C@H](Cc3ccc(Cl)cc3)C(=O)O)c(=O)oc2c1 2106457 AKWANRCWHIDOQA-LJQANCHMSA-N 443.883 3.508 0 40 IHAB biogenic COc1ccccc1N1CCN(Cc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)CC1 2626201 IIIZDWDOISEPCG-UHFFFAOYSA-N 432.549 3.982 0 40 IHAB NC(=O)c1c(NC(=O)COC(=O)c2ccc(C(F)(F)F)cc2)sc2c1CCCC2 3351979 VNUGFAHRTIYQRO-UHFFFAOYSA-N 426.416 3.540 0 40 IHAB CSCC[C@@H](C(=O)N(C)Cc1ccc(OC(F)F)cc1)N1C(=O)c2ccccc2C1=O 3424719 MBMFBTAVECHNGF-SFHVURJKSA-N 448.491 3.664 0 40 IHAB CN1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4cccs4)cc2)N3)C1 4587012 NMECJSGEUJSGGT-GOSISDBHSA-N 425.535 3.871 0 40 IHAB CCc1ccc(N(C(=O)c2csnn2)[C@@H](C(=O)NC2CCCC2)c2ccncc2)cc1 5950173 IXPMCXGDLQHLHO-OAQYLSRUSA-N 435.553 3.942 0 40 IHAB C[C@@H](Sc1nccn1-c1cccc(F)c1)C(=O)Nc1ccc(N2CCOCC2)cc1 8710259 FRZMKWUKRONYNM-MRXNPFEDSA-N 426.517 3.967 0 40 IHAB Cc1ccc2nc(COC(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)cn2c1 8725229 KOWYSNXASAAXHC-UHFFFAOYSA-N 427.526 3.564 0 40 IHAB COc1ccccc1C[C@@]1(C)NC(=O)N(CC(=O)N[C@@H](C)c2cccc3ccccc23)C1=O 8880681 IJXBQRVHGXOTPS-MRDQGFSESA-N 445.519 3.579 0 40 IHAB Cc1cc(O[C@H](C)C(=O)N(Cc2cccc(F)c2)[C@H]2CCS(=O)(=O)C2)ccc1Cl 8916491 SWVIPWUAHLAHIC-QAPCUYQASA-N 439.936 3.771 0 40 IHAB COc1ccccc1-c1nnc(S[C@@H](C)C(=O)c2ccc3c(c2)CCN3C(C)=O)n1C 8981175 GYXGLYJZMZGQJM-AWEZNQCLSA-N 436.537 3.763 0 40 IHAB O=C(CSc1nnnn1-c1cccc(F)c1)Nc1ccc2c(c1)OC1(CCCCC1)O2 9056182 KGFZXBSRSHNPLI-UHFFFAOYSA-N 441.488 3.964 0 40 IHAB CCn1c(SCC(=O)OCC(=O)Nc2cccc3ccccc23)nnc1-c1ccco1 9398528 BERNLRVGYYVNHT-UHFFFAOYSA-N 436.493 3.985 0 40 IHAB COCCNC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1-c1ccc(Cl)cc1 9666912 HWZLMGOHUCUCNL-UHFFFAOYSA-N 437.974 3.572 0 40 IHAB O=C(/C=C/c1nc2ccccc2o1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 9670963 XDUNNUVKNARTHX-VAWYXSNFSA-N 447.516 3.527 0 40 IHAB O=C(Nc1nnc(-c2cccs2)o1)c1cccc(NS(=O)(=O)c2ccccc2)c1 9714759 CLNYBAPNHAKSAR-UHFFFAOYSA-N 426.479 3.851 0 40 IHAB NC(=O)c1oc2ccccc2c1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 9714899 YWJJXGABPBIFOF-UHFFFAOYSA-N 435.461 3.585 0 40 IHAB COc1ccc(Cl)cc1NC(=O)CSc1nccn(-c2ccc(F)c(F)c2)c1=O 9761563 WLFSFZQWMIUXSA-UHFFFAOYSA-N 437.855 3.904 0 40 IHAB Cn1c(-c2ccccc2)c(C(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)c2ccccc21 9868549 UUQOQDRPMJYKST-UHFFFAOYSA-N 429.476 3.761 0 40 IHAB COC(=O)CNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCC1 11019081 KOXDSGCCKBWCBH-UHFFFAOYSA-N 430.574 3.739 0 40 IHAB Cc1[nH]c2ccc(C(=O)N3CCC4(CC3)C[C@@]3(CO4)NC(=O)c4ccccc4N3)cc2c1C 12085497 QFSSWSQEZLXLCN-SANMLTNESA-N 444.535 3.732 0 40 IHAB COc1ccc(NC(=O)Cn2cc(OCc3ccc(F)cc3)c(=O)cc2C)cc1OC 12230524 PGPWKPCJSZINFC-UHFFFAOYSA-N 426.444 3.531 0 40 IHAB COc1cccc(N2CCN(C(=O)CS[C@@H]3CCc4ccccc4N=C3O)CC2)c1 12324352 OMZAYQMNTYPWDV-OAQYLSRUSA-N 425.554 3.680 0 40 IHAB Cc1c(C(C)C)c(=O)n(-c2ccc(S(=O)(=O)N[C@H]3CCCc4ccccc43)cc2)n1C 12372072 VTQSNYXYOAXVFZ-QFIPXVFZSA-N 439.581 3.964 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3N3CCCC3)CC2)c(C)c1 12521563 HRLIGNZDSOUKNK-UHFFFAOYSA-N 441.597 3.943 0 40 IHAB Cn1c(C[C@@H](NC(=O)c2cccc(S(C)(=O)=O)c2)c2ccccc2)nc2ccccc21 12601272 RRTLVKLAVXRUOO-OAQYLSRUSA-N 433.533 3.691 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(C)cc3)c2)cc1 12605606 WCSNKDBKROZQRZ-UHFFFAOYSA-N 446.550 3.914 0 40 IHAB Cc1ccc(-c2csc3ncn(CCC(=O)NC(=O)NC4CCCC4)c(=O)c23)cc1C 12738291 RFDHCHWOBAIIOB-UHFFFAOYSA-N 438.553 3.900 0 40 IHAB COc1ccc([C@H]2CCCCCN2C(=O)c2cccc(N3CCCS3(=O)=O)c2)cc1 12822536 HATPOEDPRSEQBW-JOCHJYFZSA-N 428.554 3.993 0 40 IHAB COc1ccc(CCNC(=O)c2ccc(=O)n(CCc3c[nH]c4ccccc34)c2)cc1OC 12893150 RNZBBZPSHKLVDB-UHFFFAOYSA-N 445.519 3.562 0 40 IHAB biogenic O=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)c1ccccc1Br 12926260 WSXQPLZRABBFRM-UHFFFAOYSA-N 437.359 3.554 0 40 IHAB O=C(COc1ccc(F)cc1Br)Nc1ccc(S(=O)(=O)C(F)F)cc1 13012293 JSABEKBDRYFCIA-UHFFFAOYSA-N 438.221 3.602 0 40 IHAB Cc1ccc(Sc2ccc(S(=O)(=O)NCC(C)(C)N3CCOCC3)cc2)cc1C 13133998 WSTQBQULTOVILU-UHFFFAOYSA-N 434.627 3.844 0 40 IHAB Cc1cc(C)cc(NC(=O)CSC(=S)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c1 13572270 ZUDSMDBWWPASBD-SJORKVTESA-N 427.595 3.541 0 40 IHAB COc1ccc(S(=O)(=O)NCC2CCC(C(=O)Nc3ccc4cc[nH]c4c3)CC2)cc1 13689330 WICAFJARVFFQNN-UHFFFAOYSA-N 441.553 3.900 0 40 IHAB CC(C)N1[C@@H](Cc2ccccc2OCc2ccccn2)[C@@H](O)c2ccccc2S1(=O)=O 13692206 CJCHDBNRZMVCFL-URXFXBBRSA-N 438.549 3.718 0 40 IHAB CC[C@H](C(=O)Nc1cc(OC)ccc1OC)N(c1cccc(Cl)c1)S(C)(=O)=O 13712050 XJWYTZQVZAWRHQ-QGZVFWFLSA-N 426.922 3.541 0 40 IHAB O=C(Cc1csc(NC(=O)c2cccs2)n1)Nc1cccc(C(=O)NC2CC2)c1 14086159 DWOMYBRJFLNFSX-UHFFFAOYSA-N 426.523 3.530 0 40 IHAB COc1cccc(Oc2ccc(C(F)(F)F)cc2NC(=O)[C@@H]2CCS(=O)(=O)C2)c1 14671052 BRPPTJGGOILRFJ-GFCCVEGCSA-N 429.416 3.880 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc2cc(Cl)ccc2o1 15092130 GULWLJOCOMFZEE-UHFFFAOYSA-N 434.901 3.668 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)Nc2ccccc2SC)cc1 15391127 MBOXNQGPSQKEPU-INIZCTEOSA-N 434.583 3.989 0 40 IHAB CCCCOC(=O)c1ccc(NC(=S)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 16041968 CZEONOIBXLNPRL-FUHWJXTLSA-N 425.554 3.621 0 40 IHAB biogenic Cc1ccccc1-c1nc(N2CCOCC2)ncc1-c1nnnn1-c1ccc(Cl)cc1 16363055 HXJLYZTUBMQJTJ-UHFFFAOYSA-N 433.903 3.585 0 40 IHAB CCOC(=O)C1=C(C)N=c2s/c(=C\C=C\c3ccccc3)c(=O)n2[C@@H]1c1ccc(C)cc1 16789738 WUOXUMCZTWXYRA-BHTYKIPZSA-N 444.556 3.772 0 40 IHAB COc1cc2sc(NC(=S)NC(=O)c3ccc4c(c3)OCCO4)nc2cc1Cl 17099781 IEBYPUAIVREODG-UHFFFAOYSA-N 435.914 3.856 0 40 IHAB CCn1c(CN(C)Cc2ccsc2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 17307719 NIEQYXOFMGXWBZ-UHFFFAOYSA-N 432.615 3.924 0 40 IHAB Cc1ccc(O[C@H](C)C(=O)N2CCC[C@@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)cc1 19210838 DMTNJLHVLGLDHR-XYVMCAHJSA-N 437.466 3.580 0 40 IHAB O=C(Nc1ccc2c(c1)OCCO2)c1cc([C@@H]2CCCN(C(=O)C3CCCCC3)C2)no1 19346206 SGXDWRCUXOWZKA-QGZVFWFLSA-N 439.512 3.984 0 40 IHAB O=C(N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccccc2-n2cccn2)C1)[C@@H]1CCCO1 19348953 XFLDUEHBXKIJLB-TUSQITKMSA-N 445.567 3.516 0 40 IHAB O=C(COc1ccc2c(c1)OCO2)N1CCC[C@@H]1c1nnc(-c2nccc3ccccc23)o1 19376452 DYCGSIPBVAFKHM-GOSISDBHSA-N 444.447 3.756 0 40 IHAB CC(C)c1nccn1CC(=O)N1CC[C@H]2[C@H]1CCCCC(=O)N2Cc1ccccc1F 19713856 OUGKLADQXHTKEF-RTWAWAEBSA-N 426.536 3.718 0 40 IHAB O=C([C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1)N1CCCc2ccccc21 19860625 IKKSFNCZILTFGB-LJQANCHMSA-N 432.973 3.861 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(c3c(Cl)cccc3NC(=O)C(C)C)CC2)cc1 21578395 DWPHUIYGNQQRHM-UHFFFAOYSA-N 435.977 3.754 0 40 IHAB Cc1ccc2c(CN3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)cc(=O)oc2c1C 21848790 QZWCQAQPSVOPGK-UHFFFAOYSA-N 446.956 3.570 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)Nc1cc(F)ccc1F 22249143 YQNGEXMLMXWWQQ-UHFFFAOYSA-N 432.876 3.666 0 40 IHAB COc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1 22513635 CFUUJCUJRZNJLE-UHFFFAOYSA-N 429.523 3.622 0 40 IHAB CCOc1ccc(NC(=O)CN(C)C(=O)c2cccc(Nc3ncccn3)c2)cc1OCC 24648865 RZXORSWZBWBDNE-UHFFFAOYSA-N 449.511 3.728 0 40 IHAB CCC(=O)c1cc(Br)ccc1OS(=O)(=O)c1ccc2oc(=O)ccc2c1 24839868 VQHAFWYLYTZFEJ-UHFFFAOYSA-N 437.267 3.916 0 40 IHAB COc1ccccc1CNS(=O)(=O)c1ccc(SC)c(C(=O)N2CCCCCC2)c1 26119942 LFGWRJXVWCVFKD-UHFFFAOYSA-N 448.610 3.912 0 40 IHAB CCOc1ccc(N[C@H](C)C(=O)c2c(C)[nH]c3ccccc23)cc1S(=O)(=O)N(C)C 28853330 UBKDHCAXJDEZSM-OAHLLOKOSA-N 429.542 3.809 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2Cc1cc(Cl)cc2c1OCOC2 31084129 WDVFPOURRBHTDD-UHFFFAOYSA-N 436.961 3.800 0 40 IHAB CCOc1ccc(-c2noc(CCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)n2)cc1 32779766 MLHJAOGOGZYOGM-UHFFFAOYSA-N 447.495 3.504 0 40 IHAB Cc1nc2c3ccccc3nc(SCc3cc(=O)[nH]c4sc(C(=O)O)c(C)c34)n2n1 32883716 ZXJRZCSOABBVBF-UHFFFAOYSA-N 437.506 3.788 0 40 IHAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(COc2ccc(C(=O)NC3CC3)cc2)o1 36358669 UXNULASGMMGNJV-UHFFFAOYSA-N 440.521 3.572 0 40 IHAB O=C(CC[C@H]1N=C(O)N(CCc2ccccc2)C1=O)NCc1ccc(Cl)cc1Cl 36601647 LJUUEPJSOAJBBV-GOSISDBHSA-N 434.323 3.757 0 40 IHAB CCc1nc2c(c(=O)n1CC(=O)N(CC)c1cccc(C)c1)CN(Cc1ccccc1)CC2 49400896 DWMLBDLWZBQJTQ-UHFFFAOYSA-N 444.579 3.726 0 40 IHAB CCN(C(=O)Cn1c(=O)n(CCc2cccs2)c(=O)c2ccccc21)c1ccccc1 57473203 PCTCMFVQVUKCBF-UHFFFAOYSA-N 433.533 3.521 0 40 IHAB CN(Cc1nc2ccccc2[nH]1)C(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 63724381 RAVITXYWYUFFOP-UHFFFAOYSA-N 431.945 3.961 0 40 IHAB Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NCc3ccc(S(C)(=O)=O)cc3)c12 71957533 JOUZRERIYJTTAT-UHFFFAOYSA-N 440.569 3.706 0 40 IHAB CC(C)(C)OC(=O)NCCCC(=O)c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1 72216446 XDRLTRSJNNSESO-UHFFFAOYSA-N 448.564 3.626 0 40 IHAB C[C@@H](Cn1nc2c(cc1=O)CCCC2)NC(=O)C1(c2c(F)cccc2Cl)CCCC1 72325042 PXUGKBKSMTWWOK-HNNXBMFYSA-N 431.939 3.931 0 40 IHAB CC(=O)N1CCc2c(nc([C@H]3CCCN(C)C3)nc2NCc2cccc(OC(C)C)c2)C1 72373394 CESSMXJGQKDHQJ-FQEVSTJZSA-N 437.588 3.590 0 40 IHAB N[C@@H](Cc1ccc(F)cc1)C(=O)NCC1CCC(c2ccnc(Nc3ccccn3)n2)CC1 72380005 BBVQRJGUBKOXEV-GRERDSQWSA-N 448.546 3.714 0 40 IHAB CC[C@@H](Oc1ccccc1F)C(=O)N1CCC([C@@H]2C[C@H](C(F)F)n3ncnc3N2)CC1 72395646 TYVFEGKOYCZNCA-GVDBMIGSSA-N 437.466 3.504 0 40 IHAB O=S(=O)(c1cc(Br)ccc1Br)N1CCN=C1c1ccccc1 72414430 TYWVMZLRBUAXCD-UHFFFAOYSA-N 444.148 3.663 0 40 IHAB COc1ccc(NC(=O)C2=NO[C@@]3(CCCN(C(=O)Nc4cccc(F)c4)C3)C2)cc1 96225163 YJZKSTOBYCJLKA-QFIPXVFZSA-N 426.448 3.616 0 40 IHAB Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N1CCN(c2ccc(O)cc2)CC1 98073441 BMVUDEMVZUFXBZ-UHFFFAOYSA-N 442.972 3.981 0 40 IHAB CC(=O)N1CCc2nc3cc([C@@H]4CCCCN4Cc4ccc(C)c(C)c4)nn3c(O)c2C1 100243155 IHGRRJHISFAHBN-QHCPKHFHSA-N 433.556 3.684 0 40 IHAB COc1ccc2c(c1)[C@@H]1C[C@](C)(NC(=O)[C@H]1S(=O)(=O)c1ccc(C(C)(C)C)cc1)O2 100894872 HXMNWPBJRRRFTN-GREBRCKQSA-N 429.538 3.547 0 40 IHAB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(Br)cc3)CC2=O)cc1C 107307558 WFQLLZDWGSPLLX-HNNXBMFYSA-N 445.313 3.601 0 40 IHAB Cc1cccc(CCCNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3C)CC2)c1 216285537 WUXQTIGYEZFLSZ-UHFFFAOYSA-N 428.598 3.594 0 40 IHAB CCS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(OC3CCCC3)cc2)Oc2ccccc21 218792585 QJVOWDVJKNLTBH-OAQYLSRUSA-N 430.526 3.564 0 40 IHAB C[C@H](NC(=O)[C@H](C)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O)c1ccc(F)cc1 220203811 WVERNXLTILBZAH-STQMWFEESA-N 432.439 3.876 0 40 IHAB CC[C@@H](C(=O)NCc1ccccc1OC)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 220685221 BWJXQHPEIFKYAK-INIZCTEOSA-N 445.368 3.863 0 40 IHAB CC(C)(C)c1ccccc1OCCNC(=O)CN(c1ccccc1Cl)S(C)(=O)=O 223678376 XHFLKYROSPDMRI-UHFFFAOYSA-N 438.977 3.599 0 40 IHAB CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)COc1cccc(C)c1C 225469350 XZWRGMFYMJUJNI-INIZCTEOSA-N 433.346 3.608 0 40 IHAB COCCCNC(=S)Nc1nc(N2CCCCCC2)cc(N2Cc3ccccc3C2)n1 225901768 BAXNDZIMALLHPT-UHFFFAOYSA-N 440.617 3.700 0 40 IHAB COc1ccc(NC(=O)[C@@]2(C)CCCN(c3ccc(Cl)cc3)S2(=O)=O)cc1OC 225950602 TXBOSDPPMWOXBF-HXUWFJFHSA-N 438.933 3.685 0 40 IHAB Cc1ccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)C(=O)c2ccccc2)c(C)c1 226399723 UBRRSJSTZHOYAV-ICTYLJJWSA-N 426.516 3.961 0 40 IHAB CC(=O)N[C@H]1CC[C@](CNC(=O)Cc2ccc3ccccc3c2)(c2ccccc2)CC[C@@H]1O 257215116 COTJCUXNAAWYFN-NSVAZKTRSA-N 444.575 3.876 0 40 IHAB O=C(CCc1nc2ccccc2s1)N1CCO[C@@H](c2cccc(Nc3cnccn3)n2)C1 257242919 IESOCAALRFZDBV-GOSISDBHSA-N 446.536 3.758 0 40 IHAB CCn1nc(C)c(CN2CCO[C@@H](c3cc(CCOc4ccccc4F)n(C)n3)C2)c1C 257273026 NEXQGYSQZRVOEO-XMMPIXPASA-N 441.551 3.587 0 40 IHAB CC(C)c1cc(C(=O)N2CCNC(=O)[C@H]2Cc2ccc(-c3cccc(F)c3F)cc2)[nH]n1 257309941 UCYMGWHFOFEOMN-OAQYLSRUSA-N 438.478 3.662 0 40 IHAB CC[C@H](C)NC(=O)CCc1c(C)nc2cc([C@@H]3CCN(C(=O)C(C)(C)C)C3)nn2c1C 257332972 XZMPCKSUZKRJFF-MAUKXSAKSA-N 427.593 3.555 0 40 IHAB COc1cccc(Nc2cc(C)nc([C@@H]3CCCN(S(=O)(=O)N4CCCC4)C3)c2)c1 257344184 ZWCIYPLQUSPOHA-GOSISDBHSA-N 430.574 3.662 0 40 IHAB Cc1ccc(N([C@H](C)C(=O)NCc2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1C 260805416 CPVXKXYRGBIUDX-OAHLLOKOSA-N 428.476 3.793 0 40 IHAB COC(=O)N1Cc2nnc(-c3cccnc3)n2C2(CCN(Cc3cc(C)cc(C)c3)CC2)C1 306124967 CDLAQUKKPRBJQW-UHFFFAOYSA-N 446.555 3.530 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NC2CCCCCC2)CC1 408557284 GIEUYLWQUFHREU-UHFFFAOYSA-N 428.982 3.588 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(C)ccc3OC)CC2)cc1C 408560696 PLTHOMAEYLUHCA-UHFFFAOYSA-N 446.569 3.750 0 40 IHAB CSc1cccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)c1 408605777 NLQZQROZSWQPSM-NRFANRHFSA-N 426.563 3.937 0 40 IHAB C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3ccccc3Cl)C(=O)[C@H]12 408651232 NLHIPRXFIUQSSW-FQELHTAISA-N 436.895 3.777 0 40 IHAB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3cccs3)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1 408665047 ZHZARUNIRSCDEO-SJORKVTESA-N 442.924 3.983 0 40 IHAB CCC[C@@H](C)NC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 409255498 LCPUHIRSIDHTSP-QGZVFWFLSA-N 434.558 3.512 0 40 IHAB O=C(C1c2ccccc2Oc2ccccc21)N1C[C@@H]2OCC(=O)N(Cc3ccccc3)[C@H]2C1 1848352607 YAGABVJRTLMLJJ-URXFXBBRSA-N 440.499 3.563 0 40 IHAB COc1ccc(OC)c(N(CC(=O)Nc2ccccc2F)S(=O)(=O)c2ccccc2)c1 779778 FNUAGQWVYMSIKY-UHFFFAOYSA-N 444.484 3.677 0 40 IHAB COc1ccc(Cc2nnc(NS(=O)(=O)c3ccc(Cl)cc3)s2)cc1OC 987640 KTQMBSYAWKRIMA-UHFFFAOYSA-N 425.919 3.600 0 40 IHAB COc1ccc(NC(=O)[C@@H](C)n2cnc3sc(C(=O)OC(C)C)c(C)c3c2=O)cc1 1981032 NMRDGWNAGXAMKC-CYBMUJFWSA-N 429.498 3.540 0 40 IHAB CC(C)(C)OC(=O)NCCCCCc1nnc(S(=O)(=O)Cc2ccccc2Cl)o1 2198866 WGAZJBUMVFGFTR-UHFFFAOYSA-N 443.953 3.934 0 40 IHAB O=C(OCc1ccccc1)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1 3229188 IERACSBGDQJXJX-UHFFFAOYSA-N 436.533 3.555 0 40 IHAB O=C(c1ccccc1C(F)(F)F)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 3556696 LQIUBABYQHHYCF-UHFFFAOYSA-N 432.851 3.506 0 40 IHAB C[C@H]1C[C@@H](C)CN(C(=O)CSc2nnc(CN3CCCCC3)n2-c2ccccc2)C1 7318556 ITADOXXYGXCXFU-KDURUIRLSA-N 427.618 3.850 0 40 IHAB CCc1nnc2n1N[C@H](c1ccc(OC)cc1)[C@H](C(=O)Nc1cccc(Cl)c1)S2 9197186 SZOCQUQPMLFMIZ-QZTJIDSGSA-N 429.933 3.900 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)CCc2ccsc2)c1 9224309 ZNEXWLGZYLAQNR-UHFFFAOYSA-N 435.615 3.950 0 40 IHAB CC(C)[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C(=O)NC1CCCC1 9450208 IYRSIBHLZFSZBG-SFTDATJTSA-N 443.588 3.548 0 40 IHAB COc1ccccc1OCCC(=O)OCC(=O)Nc1ccccc1C(=O)Nc1ccccc1 9562626 LALUBUSCQIQVMA-UHFFFAOYSA-N 448.475 3.898 0 40 IHAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1c(C)nn(-c2ccccc2)c1Cl 9591597 DEZCFNIRRPSVFU-UHFFFAOYSA-N 428.895 3.752 0 40 IHAB Cc1c(NC(=O)COC(=O)c2cccc(Cl)c2Cl)c(=O)n(-c2ccccc2)n1C 9664526 ROMFOUJZZXHVBC-UHFFFAOYSA-N 434.279 3.587 0 40 IHAB CCC(=O)N(c1nnc(SCC(=O)Nc2ccc(N3CCCC3)cc2)s1)C1CC1 9712502 WJENEZZVCULCQZ-UHFFFAOYSA-N 431.587 3.775 0 40 IHAB CCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nc2c(oc3ccccc32)c1=O 9752291 CAFPBARFAPWWIN-UHFFFAOYSA-N 437.477 3.665 0 40 IHAB CCOc1cc2c(cc1OCC)CN(C(=O)CNC(=O)c1ccc3ccccc3c1)CC2 9990074 ARZGNWFUZGAEMT-UHFFFAOYSA-N 432.520 3.952 0 40 IHAB Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3cc(C)ccc3C)c(=O)n2C)c(C)c1 10104951 MXLHUSMAUWCUCU-UHFFFAOYSA-N 443.551 3.720 0 40 IHAB Nn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nc2ccccc2c1=O 11518263 BAZNCRUGUNTDQI-UHFFFAOYSA-N 428.823 3.513 0 40 IHAB COc1cccc(C2(NC(=O)c3ccc(N4CCCCS4(=O)=O)cc3)CCCC2)c1 12143099 ZKBVVPWMYGIDDD-UHFFFAOYSA-N 428.554 3.825 0 40 IHAB CC(C)(C)C(=O)CNC(=O)c1ccccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1 12561072 DJPVMJNPBCAIBG-UHFFFAOYSA-N 442.459 3.851 0 40 IHAB Cc1cc(C)n(-c2ccc(C(=O)N3CCN(CC(=O)Nc4c(C)cccc4C)CC3)cc2)n1 12932057 VWOPCWTVVQNIIO-UHFFFAOYSA-N 445.567 3.502 0 40 IHAB CCOc1cccc(-c2nnc(SCC(=O)Nc3ccccc3Br)n2N)c1 13748258 OJHZOICGGPUOOD-UHFFFAOYSA-N 448.346 3.551 0 40 IHAB O=C(NCc1ccccc1)[C@@H](c1cccnc1)N(C(=O)c1csnn1)c1ccccc1 15935677 SKKXQZPYRNYLTO-OAQYLSRUSA-N 429.505 3.638 0 40 IHAB CCc1nnc(NC(=O)CCN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)s1 15963205 RLIDOWGENVGSQP-UHFFFAOYSA-N 430.555 3.633 0 40 IHAB Cn1c(SCC(=O)NCc2ccc(Cl)cc2)nc2c(-c3ccccc3)c[nH]c2c1=O 16841342 HMEPSOMKRITLHJ-UHFFFAOYSA-N 438.940 3.991 0 40 IHAB CCOc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccc(OC)cc5)no4)ccn3n2)cc1 16842033 RRXOOWDCCKKLGQ-UHFFFAOYSA-N 443.463 3.669 0 40 IHAB COC(=O)Cn1c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2C)nc2ccccc2c1=O 18592671 SXDBYIYZWAXEBY-CYBMUJFWSA-N 445.928 3.651 0 40 IHAB COc1ccc(-c2ncc(CN3CCC(NC(C)=O)(c4ccc(F)cc4)CC3)cn2)cc1 19021172 WXEDXILTYQLSQI-UHFFFAOYSA-N 434.515 3.919 0 40 IHAB CC(C)(C)c1ccc(OCC(=O)N2CC[C@@H](c3cc(O)nc(-c4ccncc4)n3)C2)cc1 19084488 XSSPROAPTMYIHX-GOSISDBHSA-N 432.524 3.937 0 40 IHAB CN1CCN(Cc2nc3ccccc3n2C)C[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O 19289946 IZTHTEXDWAZVNZ-HSZRJFAPSA-N 439.563 3.768 0 40 IHAB CCNC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CCCN(C(=O)c2cccnc2N)C1 19528682 RLNYVMNJGICGQV-HHHXNRCGSA-N 442.563 3.932 0 40 IHAB COc1ccc(CN2CCN(c3c(F)cccc3[C@@H](O)c3nccs3)CC2)c(OC)c1 19552427 XWLVDNYOFQVPBX-JOCHJYFZSA-N 443.544 3.703 0 40 IHAB COc1cccc(-c2noc([C@@H]3CN(C(=O)c4cc5c(s4)CCCC5)CCO3)n2)c1 19566773 KFABRZSIEHJBRO-KRWDZBQOSA-N 425.510 3.899 0 40 IHAB COc1ccccc1CC(=O)NCc1ccc(-c2ccnc3nc(C(F)(F)F)nn23)cc1 19569790 VEKSGPSICJXFNV-UHFFFAOYSA-N 441.413 3.678 0 40 IHAB COCC(=O)N1CCC(c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2cccs2)N3)CC1 19592741 HCIPYAFSXDNVND-GOEBONIOSA-N 428.480 3.957 0 40 IHAB COCCOc1ccc(CN2C[C@@H](c3cc(F)ccc3F)[C@@]3(CCCC(=O)N3)C2)cc1 19593738 BZPUSEJGDSXDLY-XUZZJYLKSA-N 430.495 3.628 0 40 IHAB Cc1nc2cc(C(=O)N3CC[C@H](c4cc(COc5ccc(F)cc5)[nH]n4)C3)ccc2n1C 19704544 JHGUFAGCEJSMGU-KRWDZBQOSA-N 433.487 3.953 0 40 IHAB CNc1nc(C2CCN(C)CC2)nc2c1CCN(C(=O)[C@H](C)Cc1cccc(Cl)c1)C2 19710698 JSQYLDVBVBBFBL-MRXNPFEDSA-N 442.007 3.744 0 40 IHAB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)Nc1cc(F)ccc1F 20010213 BSPZCRUVFCWJAU-UHFFFAOYSA-N 430.476 3.837 0 40 IHAB CCCNS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2ccc(Cl)cc2)c(Cl)c1 20022917 HFQVMILTOQJSFY-CYBMUJFWSA-N 445.368 3.938 0 40 IHAB O=C(NCCSc1ccc(Cl)cc1)c1ccc(CS(=O)(=O)N2CCCC2)cc1 20042274 OFUOIXUKLGRNCD-UHFFFAOYSA-N 439.002 3.788 0 40 IHAB CCOc1cccc(CNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1 20046584 DRYZIJMRTMSUKB-UHFFFAOYSA-N 442.512 3.736 0 40 IHAB O=C(NCc1ccccc1Cl)c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1 20397455 UZGCKGJEVQPDHZ-AWEZNQCLSA-N 435.958 3.555 0 40 IHAB COc1cc(CNc2nnnn2C)cc(Br)c1OCc1ccc(Cl)cc1 22112001 PBSWJIRSWDZTNK-UHFFFAOYSA-N 438.713 3.826 0 40 IHAB COc1ccc(C)c2sc(N(CCN3CCOCC3)C(=O)Cc3ccccc3)nc12 22998704 AIRLFZDKQSOBFD-UHFFFAOYSA-N 425.554 3.521 0 40 IHAB CCOc1ccccc1NC(=O)Cn1nc(NC)c(-c2nc(-c3ccccc3C)no2)c1N 23125407 IHMMPHFWHWCDCC-UHFFFAOYSA-N 447.499 3.570 0 40 IHAB Cc1cccn2cc(COC(=O)[C@@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)nc12 24761152 IKEVMBYLKVBELA-JOCHJYFZSA-N 439.471 3.593 0 40 IHAB COc1ccc(NC(=O)COC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc1Cl 28280099 GBAOXLHWLIYIKL-VMPITWQZSA-N 435.860 3.570 0 40 IHAB CCOC(=O)C1=C(CN(C)C2CCCCC2)NC(=O)N[C@H]1c1ccccc1OC(F)F 28892017 KJSYLALSOOWMQO-IBGZPJMESA-N 437.487 3.724 0 40 IHAB CC(C)C[C@H](NC(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O)c1ccccc1 30848715 KFAJFVZJXDNDRH-FQEVSTJZSA-N 446.569 3.865 0 40 IHAB COc1ccc(OC)c(N2C(SCc3ccc(C)c(C)c3)=N[C@@H]3CS(=O)(=O)C[C@H]32)c1 32641083 LZEJGOPQVWPHPR-UYAOXDASSA-N 446.594 3.596 0 40 IHAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@H](C)NC(=O)OCc1ccccc1 32905829 BWUIPQDBSVMWSZ-AWEZNQCLSA-N 440.418 3.984 0 40 IHAB O=C(Nc1ccccc1)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccccc1 32932931 NHEFAQAXGWTZBR-JOCHJYFZSA-N 438.505 3.506 0 40 IHAB COc1ccc2cc([C@@H]3c4cc(OC)c(OC)cc4CCN3C(=O)C3CCC3)c(=O)[nH]c2c1 35315904 IUTDNPBBHXVPJX-DEOSSOPVSA-N 448.519 3.828 0 40 IHAB CC(=O)Nc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc(C)cc2C)nc1O 35377919 FTUVRCRAURVDCY-AWEZNQCLSA-N 437.525 3.939 0 40 IHAB CC(C)(C)c1ccc(OC[C@H](O)CNC[C@H](c2ccc(F)cc2)N2CCOCC2)cc1 40160693 GZNFRCKLBVELQI-ISKFKSNPSA-N 430.564 3.526 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC(=O)OC)Cc2ccccc2Cl)cc1OCC 58029772 UAYATGCQEVAKEC-UHFFFAOYSA-N 441.933 3.501 0 40 IHAB CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)Cc1ccccc1Br 72304586 HGQUTKXDYWZWHV-UHFFFAOYSA-N 432.362 3.781 0 40 IHAB COc1ccc(Cl)cc1C(=O)N1CCN(C)C(=O)[C@@H]1Cc1cccc(-c2cccnc2)c1 72351728 LVLPXZSEHHTGCK-QFIPXVFZSA-N 449.938 3.936 0 40 IHAB COc1ccc2c(c1)C(=O)NCC1(CCN(C(=O)c3ccccc3C(F)(F)F)CC1)O2 72393683 NVRNCXRSOMEXJQ-UHFFFAOYSA-N 434.414 3.511 0 40 IHAB COc1cc(COCC2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)cc(OC)c1 77099674 PEPOAZLZKFVNPZ-UHFFFAOYSA-N 447.553 3.524 0 40 IHAB CN(C)c1cc(C(F)(F)F)nc(N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)n1 78903430 QGINRLRRAWNGQX-CYBMUJFWSA-N 445.392 3.770 0 40 IHAB COc1ccc(-c2nnc3n2[C@@H](C(=O)Nc2ccccc2OC(F)F)CC(O)=N3)cc1 79491890 FMKVUTFZQBRWQJ-CQSZACIVSA-N 429.383 3.727 0 40 IHAB Cc1ccc(-c2noc(CN3CCN(c4ccc(Br)c(C)n4)CC3)n2)cc1 95460599 VXXMZDXKOHATGO-UHFFFAOYSA-N 428.334 3.833 0 40 IHAB CC(C)c1sc(Br)nc1C(=O)N1CCN(c2nc3ccccc3n2C)CC1 95473306 BWRYMGIZDRINFC-UHFFFAOYSA-N 448.390 3.878 0 40 IHAB CS(=O)(=O)[C@](Cl)(I)C(=O)c1ccc(-c2ccccc2)cc1 96518228 LSTNPRFJVCRRGC-OAHLLOKOSA-N 434.682 3.909 0 40 IHAB O=C(C1CC1)N1CCc2nc3cc([C@H]4CCCCN4C[C@H]4CC=CCC4)nn3c(O)c2C1 100233922 KAROHKRSNGBZCA-HTAPYJJXSA-N 435.572 3.613 0 40 IHAB CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1[C@@H](C)NC(=O)c1ccccc1F 107763639 QQLGQHJKFFAVIA-CYBMUJFWSA-N 445.495 3.798 0 40 IHAB CCOc1ccccc1NC(=O)COC(=O)CCS(=O)(=O)c1ccc2ccccc2c1 138831532 PCCANMIXNFLDOW-UHFFFAOYSA-N 441.505 3.584 0 40 IHAB CCOc1ccccc1CNC(=O)CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O 216453362 ZYFWNBUMPGAAIP-UHFFFAOYSA-N 440.496 3.717 0 40 IHAB COc1ccc(CCCNC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 219632099 GWHAQAZHLFIPHQ-UHFFFAOYSA-N 438.977 3.644 0 40 IHAB CCOc1ccccc1CCCNC(=O)c1cccc(S(=O)(=O)N2CCC(C)CC2)c1 220001683 JKNQUIWDXUVKKT-UHFFFAOYSA-N 444.597 3.869 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2cccc(C)c2)S(C)(=O)=O)cc1 220137579 HYKHLQXQVSTELL-QGZVFWFLSA-N 432.542 3.745 0 40 IHAB COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(C(=O)O)c1 223066616 LWADIDBDTMBDFF-RTWAWAEBSA-N 436.537 3.580 0 40 IHAB COc1ccc(-c2noc(CNS(=O)(=O)Cc3c(Cl)cccc3Cl)n2)cc1 223654546 PJOLNMVLDKGPOV-UHFFFAOYSA-N 428.297 3.672 0 40 IHAB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(Cc2ccco2)c1C 223681583 BMIUYGFLLPNTBZ-FGZHOGPDSA-N 438.553 3.677 0 40 IHAB O=C(Nc1nnc(S(=O)(=O)NCc2ccc(Cl)cc2)s1)c1ccc(Cl)cc1 223736030 AXRKCJDMAVTHOU-UHFFFAOYSA-N 443.337 3.576 0 40 IHAB CC[C@@H](NC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O)c1ccc(OC)c(C)c1 225481809 SPARAHQNBKLJGP-HXUWFJFHSA-N 436.549 3.956 0 40 IHAB COc1cc(C(=O)N2CCC[C@](C)(c3cc(N)nc(C)n3)C2)ccc1OCc1ccccn1 257215615 CQWSRTBIZBHFKA-VWLOTQADSA-N 447.539 3.544 0 40 IHAB CC(=O)N1CCN(C(=O)C2(c3ccc(Cl)cc3)CCOCC2)C[C@@H]1c1ccccc1 257215810 CRTURRFBRJJAQT-JOCHJYFZSA-N 426.944 3.820 0 40 IHAB CCc1nccn1-c1cccc([C@H]2CCCN2C(=O)c2ccccc2OCCN(C)C)n1 257223055 DVSAXEPAUWRGST-OAQYLSRUSA-N 433.556 3.747 0 40 IHAB CN(C)c1cc([C@H]2CCCN(C(=O)c3ccc(Cl)c(N4CCOCC4)c3)C2)ccn1 257252051 JTJFOKSNUUPPGS-IBGZPJMESA-N 428.964 3.657 0 40 IHAB CCCN1CCN(C(=O)c2cc(C(C)C)n[nH]2)[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O 257276083 NSGQTHYJBHBAAQ-DEOSSOPVSA-N 445.567 3.901 0 40 IHAB Cc1cc(-c2cnc(N(C)C)nc2[C@H]2CC[C@H](CNC(=O)CC[C@H]3CCCO3)CC2)on1 257281269 OOJIYKBUHJSMCW-GUDVDZBRSA-N 441.576 3.855 0 40 IHAB O=C(c1ccnc(Cc2cccc(F)c2)c1)N1CCC[C@H]1c1cncc(-c2ncc[nH]2)n1 257321763 WDCYYVIAPPBTTM-QFIPXVFZSA-N 428.471 3.969 0 40 IHAB CCOc1ccc(N(CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)S(C)(=O)=O)cc1 260842778 WZNCTGIOPUWUOI-QGZVFWFLSA-N 430.570 3.608 0 40 IHAB C[C@H]1CCc2cc(F)ccc2N1C(=O)Cn1cc(C(=O)C(=O)N2CCCC2)c2ccccc21 408571789 PNEPSAPTBKDHOQ-KRWDZBQOSA-N 447.510 3.953 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CCCCC3)C2)cc1Cl 408625324 RYVBCLFPPLSEQM-OAHLLOKOSA-N 428.982 3.588 0 40 IHAB CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cc(C)ccc2OC)c(Cl)c1 408637292 ZQLLTWJQJRRRGD-UHFFFAOYSA-N 440.949 3.753 0 40 IHAB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccc(Br)cc1 408664018 YOBWNDWBGJIPOR-CYBMUJFWSA-N 436.689 3.882 0 40 IHAB COc1ccccc1NC(=O)CCC(=O)OCC(=O)Nc1ccc(Br)c(C)c1 408666270 XWVQGIFUFAJCMA-UHFFFAOYSA-N 449.301 3.667 0 40 IHAB C[C@H](NC(=O)COC(=O)CCCC(=O)Nc1ccc(Br)cc1)c1ccccc1 408669158 WUMLXJDHACLKOB-HNNXBMFYSA-N 447.329 3.979 0 40 IHAB COc1ccc(-c2nnc(CN(C)C(=O)c3ccccc3Br)o2)cc1OC 408714679 UZHFDWVGWDVZCF-UHFFFAOYSA-N 432.274 3.789 0 40 IHAB COc1cc(-c2nc(O)c3c(C)c(C)sc3n2)cc(I)c1O 408735820 YBZVQVBSQMSRKX-UHFFFAOYSA-N 428.251 4.000 0 40 IHAB Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N(C)Cc2ccccc2)cc1 409002818 BEYRJFLMVKBYEB-UHFFFAOYSA-N 436.577 3.887 0 40 IHAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 409206487 OXHUIKHZVQYNPL-UHFFFAOYSA-N 431.341 3.945 0 40 IHAB COc1ccc([C@H](C)NC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)c(C)c1OC 513402067 JVMYEFCSWNFDHU-SFHVURJKSA-N 441.576 3.827 0 40 IHAB COC(=O)C[C@@H](c1ccsc1)c1oc(CN2CCc3ccccc3C2)cc(=O)c1O 524730216 ZZLZBXYVDCERQI-IBGZPJMESA-N 425.506 3.660 0 40 IHAB biogenic O=C1Nc2ccccc2C[C@@H]1CCC(=O)N1Cc2ccc(NC(=O)C(F)(F)F)cc2C1 1557477803 QQCCJXHENIWXKI-AWEZNQCLSA-N 431.414 3.621 0 40 IHAB O=S(=O)(NC[C@@H](O)c1cc(-c2ccco2)cs1)c1ccc(OC(F)(F)F)cc1 1775971741 MAWAZTBACDODKN-CQSZACIVSA-N 433.429 3.919 0 40 IHAB CC(=O)N1CC[C@H]2CC[C@@H](CN(C(=O)C(C)C)Cc3ccccc31)N2Cc1cccnc1 2037946946 VZZPRRIGDNJJRW-RPWUZVMVSA-N 434.584 3.856 0 40 IHAB COc1cc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3ncnn32)cc(OC)c1OC 646432 SGIXCBQIWNESFK-FQEVSTJZSA-N 435.484 3.540 0 40 IHAB Cc1sc2nc(C)n(NC(=O)c3ccc(COCC(F)(F)F)cc3)c(=O)c2c1C 652984 BXJLSOYPEVWPMW-UHFFFAOYSA-N 425.432 3.846 0 40 IHAB CC(=O)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(C(=O)O)cc3)C(=O)[C@@H]12 716551 WFUPUDMUCATRAO-XDJZYPBNSA-N 437.451 3.525 0 40 IHAB CCS(=O)(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)c(C)c3)o2)cc1 1329690 XGVRCRHGWFLUCI-UHFFFAOYSA-N 446.554 3.846 0 40 IHAB COc1ccc(-n2c(N)c(C(=O)NCc3ccco3)c3nc4ccccc4nc32)c(OC)c1 2412396 DCQQDGBPVNFMKM-UHFFFAOYSA-N 443.463 3.696 0 40 IHAB COc1cc([C@H]2CC(=O)c3cnc(N4CCc5ccccc5C4)nc3C2)cc(OC)c1OC 2421952 MLBGYKIEPPSZLH-GOSISDBHSA-N 445.519 3.978 0 40 IHAB biogenic COc1ccc(OC)c(N2C[C@@](O)(c3ccc(OC(F)F)cc3)[N+]3=C2CCCCC3)c1 2974547 SIANYSSKNPKONY-HSZRJFAPSA-N 433.475 3.956 0 40 IHAB COC(=O)c1sc2nc(C)nc(S[C@H](C)C(=O)NCc3ccc(OC)cc3)c2c1C 3309554 QAAPNFMDXWZIPV-GFCCVEGCSA-N 445.566 3.900 0 40 IHAB CNC(=N)c1ccc(NC(=N)c2ccc(C(=N)Nc3ccc(C(=N)NC)cc3)cc2)cc1 4214810 VQQQRERMPYGZGF-UHFFFAOYSA-N 426.528 3.651 0 40 IHAB CCN(CC)CCCNC(=S)N(Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCC1 6193166 PMGRAONASPQHHY-UHFFFAOYSA-N 444.645 3.888 0 40 IHAB Cc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)c1 8815923 XFKCHNIRVKMLRJ-UHFFFAOYSA-N 449.532 3.822 0 40 IHAB CC(=O)Oc1ccc(C(=O)Nc2nnc([C@H]3CC(=O)N(c4ccc(C)cc4)C3)s2)cc1 9198134 XUOUJPWPCKMNAR-INIZCTEOSA-N 436.493 3.545 0 40 IHAB CN(c1ccc(OCC(=O)N2CCCc3ccccc32)cc1)S(=O)(=O)c1ccccc1 9315897 RVSFYROBBUUTRB-UHFFFAOYSA-N 436.533 3.870 0 40 IHAB COc1ccc(NC(=O)C[C@@]2(NC(C)=O)C(=O)N(Cc3ccccc3)c3ccccc32)cc1 9341989 JKAZFLLKMHUWIP-SANMLTNESA-N 443.503 3.602 0 40 IHAB CCc1ccc(Nc2nnc(SCC(=O)N3CCN(c4ccccn4)CC3)s2)cc1 9368934 BQOSKMWPKGRCCV-UHFFFAOYSA-N 440.598 3.680 0 40 IHAB C/C=C/c1ccc(OCC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c(OC)c1 9491300 KRIWIDSNJYMVGO-FPYGCLRLSA-N 444.553 3.920 0 40 IHAB CCOc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(Cl)cc3Cl)C2=O)cc1 9507624 LOMPVVUCWKFKFW-HXUWFJFHSA-N 436.295 3.798 0 40 IHAB Cc1ccc(C(=O)O[C@H](C)C(=O)NC(=O)NC2CCCCC2)cc1NC(=O)c1ccco1 9508866 DJJVYRQHOGGBQT-OAHLLOKOSA-N 441.484 3.544 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1ccc(C)cc1 9584520 PKDIGXQAYLDTKX-UHFFFAOYSA-N 434.583 3.909 0 40 IHAB Cc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccccc3Br)n2N)cc1 9884910 BDPSVNYLBLJNAQ-LBPRGKRZSA-N 432.347 3.849 0 40 IHAB Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccccc3C)c(=O)n2C)cc1Cl 10104830 WOHJKOHTTZICBD-UHFFFAOYSA-N 449.942 3.757 0 40 IHAB Cc1ccc(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(C)c(Cl)c3)n(C)c2=O)cc1 10104833 DVFXNXFPRXJPCL-UHFFFAOYSA-N 449.942 3.757 0 40 IHAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccc(NC(=O)C3CC3)s2)c1C 11031558 QNBNJRNWQCSOKF-GFCCVEGCSA-N 432.498 3.646 0 40 IHAB O=C(CNC(=O)CC12CC3CC(CC(C3)C1)C2)NCc1ccc(NC(=O)c2ccco2)cc1 11145906 LRTVWWJTRBFPML-UHFFFAOYSA-N 449.551 3.871 0 40 IHAB CCOc1ccccc1NC(=O)CSc1ncnc2c1nnn2Cc1ccc(F)cc1 11758481 KFPWDVVBSFFOEU-UHFFFAOYSA-N 438.488 3.538 0 40 IHAB COc1ccc2c(c1)N[C@@]1(COC3(CCN(C(=O)c4ccccn4)CC3)C1)c1cccn1-2 12086220 LJIBAXAPSJKZHQ-VWLOTQADSA-N 430.508 3.597 0 40 IHAB COc1ccc2c(c1)N[C@]1(COC3(CCN(C(=O)c4ccccn4)CC3)C1)c1cccn1-2 12086221 LJIBAXAPSJKZHQ-RUZDIDTESA-N 430.508 3.597 0 40 IHAB COc1ccccc1C1(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)CCCC1 12143075 QPIATBXWRGCZGB-UHFFFAOYSA-N 428.554 3.825 0 40 IHAB C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2ncc(-c3ccc(Cl)cc3)o2)C1=O 12268385 BSNLIUOSFZJKKE-OAQYLSRUSA-N 425.828 3.691 0 40 IHAB COc1cc2cc(CN(CCCO)C(=O)Nc3ccccc3Cl)c(=O)[nH]c2cc1OC 12708978 UGVIOEZSKANCDI-UHFFFAOYSA-N 445.903 3.615 0 40 IHAB CC(=O)Nc1ccc(-c2csc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4F)C3)n2)cc1 12754584 FBIBXIFUNQHEGE-OAHLLOKOSA-N 438.484 3.899 0 40 IHAB CC(C)[C@H](NC(=O)CSc1nnc(-c2ccco2)n1C)c1ccc2c(c1)OCCCO2 13117929 UHBGLXZXVWLOKD-FQEVSTJZSA-N 442.541 3.842 0 40 IHAB COc1ccccc1NC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2OC)cc1 13149448 PFJSDKKEMXYROU-UHFFFAOYSA-N 434.448 3.752 0 40 IHAB O=C(O[C@H](O[C@@H](C(=O)NCc1ccco1)c1ccncc1)c1ccncc1)c1ccco1 13564337 SONFAPRCDOYURT-OFNKIYASSA-N 433.420 3.593 0 40 IHAB COc1cc2c(c3oc(=O)c(CC(=O)N=c4[nH]c5ccccc5[nH]4)c(C)c13)CCC(C)(C)O2 13732864 LGZRPTOQXUAXLV-UHFFFAOYSA-N 447.491 3.693 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)cc1 14201103 BRJJDJAERLULHU-QHCPKHFHSA-N 440.590 3.851 0 40 IHAB CCCCCNC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccc(C)cc1 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446.522 3.861 0 40 IHAB CN(C)C(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCN(C(=O)Cc2ccccc2)C1 19580005 OINSIWOJOACXRO-HHHXNRCGSA-N 427.548 3.841 0 40 IHAB CNc1cc(C2CCN(C(=O)c3ccc(OC)cc3OC)CC2)nc(-c2cccnc2)n1 19592226 LUMFECWRSKZBOC-UHFFFAOYSA-N 433.512 3.617 0 40 IHAB COc1ccc2c(CN3CCO[C@H](c4ccc(-c5ccc(N)nc5)cn4)C3)cn(C)c2c1 19693649 CNVUALKBEWNULE-DEOSSOPVSA-N 429.524 3.800 0 40 IHAB CCCN1C(=O)CCc2c(C)nc(C3CCN(C(=O)c4ccc5c(c4)C[C@H](C)O5)CC3)nc21 19739476 KAUYPGGAHGYFJO-INIZCTEOSA-N 448.567 3.817 0 40 IHAB Cc1ccccc1[C@H](NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1)c1ccccc1 20034726 ADZAQLIJZLZPAV-HSZRJFAPSA-N 437.565 3.757 0 40 IHAB CN(Cc1cccs1)C(=O)CSc1nnc(-c2cc(Cl)ccc2Cl)n1N 21242790 BRVCCTAQHSMDQT-UHFFFAOYSA-N 428.370 3.778 0 40 IHAB CN(CCCCN1C(=O)c2ccccc2C1=O)CC(=O)Nc1ccccc1C(F)(F)F 21580252 HJRPDLXUJDCRMY-UHFFFAOYSA-N 433.430 3.652 0 40 IHAB Cn1ccnc1[C@H](NC(=O)Cc1cc(Cl)c2c(c1)OCCO2)c1ccc(Cl)cc1 24705077 DDDUVTSGSZJUKF-LJQANCHMSA-N 432.307 3.946 0 40 IHAB C[C@@H](NC(=O)N(C)CC(=O)Nc1cccc2ccccc12)c1ccc(S(C)(=O)=O)cc1 25052422 IKNPQIMMTSBWDJ-MRXNPFEDSA-N 439.537 3.584 0 40 IHAB COc1ccc(-c2nnc(S[C@@H](C)C(=O)NCc3ccco3)n2C[C@H]2CCCO2)cc1 28678061 PHWFFGRLNVJGNC-HNAYVOBHSA-N 442.541 3.523 0 40 IHAB O=C(NCc1ccc(Cn2ccnc2)cc1)[C@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21 30220219 CIMKWUNYIUPVJC-ZEQRLZLVSA-N 442.563 3.943 0 40 IHAB Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=S)NC(=O)/C=C/c1ccccc1 32126858 YAMBVTYMVACJER-PKNBQFBNSA-N 434.550 3.996 0 40 IHAB O=C(Cn1c(=O)nc(-c2ccccc2)c2nc(N3CCCC3)sc21)NC1CCCCC1 32615555 NDDPXGVQJLZUMQ-UHFFFAOYSA-N 437.569 3.569 0 40 IHAB O=C(NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1)c1ccc2nsnc2c1 38565184 ISCRQJLPZCOMIP-SFHVURJKSA-N 447.538 3.837 0 40 IHAB CS(=O)(=O)Nc1ccsc1C(=O)O[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 40138920 YAOXKGCRKHPJKQ-KRWDZBQOSA-N 448.497 3.796 0 40 IHAB C/C(=C/C(=O)N(CCC1=CCCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)C1CC1 40156656 UUHCUZPYJHAGKS-VLGSPTGOSA-N 448.567 3.747 0 40 IHAB O=C(Cn1c(=O)oc2ccccc21)N1CCC[C@H](c2nnc(-c3ccccc3F)s2)C1 42380247 QLMJCFJFWSLUQE-AWEZNQCLSA-N 438.484 3.658 0 40 IHAB COc1ccc(-c2noc(-c3ccc(=O)n(Cc4ccc(N5CCCC5=O)cc4)c3)n2)cc1 49007389 WVXMXWNXKLBZBR-UHFFFAOYSA-N 442.475 3.749 0 40 IHAB O=C(Nc1ccc(Br)cc1)c1nc(-c2cn(Cc3ccc(F)cc3)nn2)no1 49410333 SPSKMLHSJHEFBA-UHFFFAOYSA-N 443.236 3.530 0 40 IHAB O=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1ccccc1C(=O)NC1CCCC1 57347413 AJUJNKFROKFARE-UHFFFAOYSA-N 440.975 3.773 0 40 IHAB Cc1cc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc(F)c(F)c3)c2=O)ccc1F 57494665 QDQRUDZWDUZFLQ-UHFFFAOYSA-N 445.422 3.578 0 40 IHAB CCc1ccc(CN(Cc2cccnc2)C(=O)c2cccc(S(=O)(=O)NC3CC3)c2)cc1 69437939 FHINPQXNFQZVCR-UHFFFAOYSA-N 449.576 3.927 0 40 IHAB Cc1cc(NC(=O)[C@H](C)SCC(=O)N2CC(OCc3cccc4ccccc34)C2)no1 72306726 XNSAQQKXMLVADX-INIZCTEOSA-N 439.537 3.624 0 40 IHAB COc1ccc(-n2c(C)nnc2SCC(=O)NC(C)(C)CCC(=O)OC(C)(C)C)cc1 72308046 SVXSAFOLWQWTAE-UHFFFAOYSA-N 448.589 3.693 0 40 IHAB CNc1cc([C@@H]2CCCN(Cc3cccc(OC(C)C)c3)C2)nc(CN(C)C(C)=O)n1 72370138 DUCCNYYCDAUKQY-HXUWFJFHSA-N 425.577 3.663 0 40 IHAB Cc1nc(C)n(C[C@@H](C)C(=O)NC2CCN(CC3(c4ccccc4F)CCCC3)CC2)n1 72393498 ZCKDKMMEUZTKEZ-GOSISDBHSA-N 441.595 3.763 0 40 IHAB CCOC(=O)[C@@]1(Cc2cc(-c3ccc(F)cc3)no2)CCCN(C(=O)C2CCOCC2)C1 72394121 GGOGITZNUGITEU-XMMPIXPASA-N 444.503 3.622 0 40 IHAB Cc1cnc(CNC(=O)c2nc(-c3cn(Cc4ccccc4)c(C)n3)n3ccccc23)cn1 96155172 MRAOCROPCFDUPN-UHFFFAOYSA-N 437.507 3.583 0 40 IHAB CCS(=O)(=O)[C@](Cl)(I)[C@H](O)c1ccc(Cl)cc1Cl 96520175 MEDCRHZSDHPSSG-NXEZZACHSA-N 443.517 3.789 0 40 IHAB COc1ccccc1OCC(=O)Nc1nnc(Cc2cccc(Br)c2)s1 98086572 NAZLEEBEQSSNHY-UHFFFAOYSA-N 434.315 3.918 0 40 IHAB O=C1[C@H]2CCCC[C@H]2C(=O)N1CCC(=O)N1CCCC[C@H]1c1nc2ccccc2s1 100804886 YJXMFLMYMIYCIG-JZXOWHBKSA-N 425.554 3.915 0 40 IHAB CSCC[C@H](C(=O)NCc1ccc(Cl)cc1Cl)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 101403760 WZUOKAMVLLRRDP-YQQAZPJKSA-N 443.396 3.907 0 40 IHAB O=C(Nc1cccc(Cl)c1)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 102086620 BRUQSFDXZJCSQY-RWAISMCRSA-N 446.934 3.943 0 40 IHAB CC(C)Oc1cccc(CCCNC(=O)[C@@H](C)N(c2ccccc2F)S(C)(=O)=O)c1 220316358 QNPQICPPPOTGCI-QGZVFWFLSA-N 436.549 3.516 0 40 IHAB Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)c3ccc(N4CCOCC4)cc3)C2)n1 220818986 MGRODLCOMBHNBQ-HXUWFJFHSA-N 446.551 3.977 0 40 IHAB COc1ccc(S(=O)(=O)NCc2ccc(C(C)C)cc2)cc1C(=O)N1CCCCC1 223872700 JOWAUXQBDNSLOH-UHFFFAOYSA-N 430.570 3.923 0 40 IHAB O=C(Nc1ccc(N2CCCC2)cc1)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 224922392 LPGDMRYYMYFDEI-UHFFFAOYSA-N 445.560 3.606 0 40 IHAB CCn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(NC(=O)COC)cc1 225229005 IAGAUXOMGUNREF-YADHBBJMSA-N 435.553 3.665 0 40 IHAB CCc1cc(Br)cc(CC)c1NC(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1 226048368 ZTTOQHNJNVBKPD-OAHLLOKOSA-N 431.396 3.574 0 40 IHAB COc1ccc(C2(C(=O)N3CC[C@@](O)(CN(C)Cc4ccc(F)cc4)C3)CCCC2)cc1 257264396 LUEDHGXBTTUZQQ-RUZDIDTESA-N 440.559 3.742 0 40 IHAB COc1ccccc1N1[C@H]2CCCN(C(=O)c3ccccc3OCC(=O)O)[C@H]2CC1(C)C 257287523 PQIQIUASZHZLJT-ICSRJNTNSA-N 438.524 3.821 0 40 IHAB COc1ccc(C)cc1N([C@H](C)C(=O)N[C@H](C)c1ccc2c(c1)CCC2)S(C)(=O)=O 260937202 POIUBFKYZZWHAH-IAGOWNOFSA-N 430.570 3.524 0 40 IHAB CC(=O)Nc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)cc(C)cc3C)C2)cc1 408550487 CWBAQVDTRNOYAP-IBGZPJMESA-N 443.569 3.610 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 408627289 ZEMPOGHZKWTQAG-JTQLQIEISA-N 436.839 3.673 0 40 IHAB Cc1cccc(C)c1NC(=O)COC(=O)c1cccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 408653194 DIBNGYQCISFUGO-PMACEKPBSA-N 432.476 3.555 0 40 IHAB C[C@@H](c1ccccc1)N1C[C@H](C(=O)OCC(=O)Nc2ccc(Br)cc2)CC1=O 408656608 NMWNIGCCWVKQEU-GOEBONIOSA-N 445.313 3.541 0 40 IHAB Cc1ccc(N(CCCC(=O)Nc2ccccc2C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 408693175 GHQAMPKAACFYMZ-UHFFFAOYSA-N 445.585 3.708 0 40 IHAB CCCCN1C(=O)S/C(=C\c2cc(OC)c(OCC(=O)O)cc2Br)C1=O 409061268 YVEUGXOCKIZTIK-AUWJEWJLSA-N 444.303 3.758 0 40 IHAB CC1CCN(c2ccc(C(=O)N3CCCC[C@H]3C(=O)Nc3ccc4c(c3)CCO4)cn2)CC1 524892131 FVRZBRVHEVJUOA-QFIPXVFZSA-N 448.567 3.886 0 40 IHAB Cn1nc(-c2cccs2)cc1C(=O)N1CC[C@H](c2ccccc2Cl)S(=O)(=O)CC1 575617389 OTTKRPIAXVUNOK-LJQANCHMSA-N 449.985 3.804 0 40 IHAB CN1C(=O)COc2ccc(C(=O)N(Cc3ccccc3)Cc3ccc(C(=O)O)cc3)cc21 585091805 RFRFZTMSZUYBEV-UHFFFAOYSA-N 430.460 3.583 0 40 IHAB CC(=O)N1CCCCCCCN(CCC(C)C)Cc2cc(C(=O)N[C@@H](C)CO)ccc21 643576288 VKFHWMRZCISANW-FQEVSTJZSA-N 431.621 3.962 0 40 IHAB Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)NC[C@H]3OCCc4ccccc43)C2)cc1 670125396 USDICRYGMOWDFV-WMZHIEFXSA-N 436.556 3.852 0 40 IHAB Cc1cc(C)c2cc(CN(C[C@H]3CCCO3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1 923165 WIDJIBCMSVEYAO-LJQANCHMSA-N 426.538 3.515 0 40 IHAB O=C(NC1CCCC1)[C@@H](c1ccc(F)cc1)N(Cc1ccco1)C(=O)c1csnn1 1378466 RKPUNZPBQBPLAK-LJQANCHMSA-N 428.489 3.713 0 40 IHAB O=C(NC1CCCC1)[C@H](c1ccncc1)N(C(=O)c1ccco1)c1ccc2c(c1)OCO2 1379998 DWKCAXKJASVQCC-QFIPXVFZSA-N 433.464 3.850 0 40 IHAB CCOC(=O)c1cn(Nc2cc3nccnc3cc2F)c2c(F)c(F)c(F)cc2c1=O 1424416 KRBBIHXPXNTMNA-UHFFFAOYSA-N 432.333 3.553 0 40 IHAB CCOCCCNC(=O)c1c(N)n(-c2ccc(OCC)cc2)c2nc3ccccc3nc12 2314302 JPWDMDGJLUFAQN-UHFFFAOYSA-N 433.512 3.711 0 40 IHAB CCOc1nc2sc3c(c2c2nnc(SCC(=O)N(CC)CC)n12)CC(C)(C)OC3 2341305 QNPQTSGADAMART-UHFFFAOYSA-N 449.602 3.550 0 40 IHAB Cc1cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)ccc1Br 2467665 DWUOBIXMEOVEIB-CYBMUJFWSA-N 443.388 3.858 0 40 IHAB O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1F)Nc1ccc2c(c1)OCO2 2620371 QQLBTAVLOILZGU-UHFFFAOYSA-N 449.467 3.928 0 40 IHAB CCc1cccc2c(C(=O)COC(=O)c3ccc(S(=O)(=O)N(CC)CC)cc3)c[nH]c12 2661100 GDQHXLHMJFDTFX-UHFFFAOYSA-N 442.537 3.801 0 40 IHAB Nc1nnc(S[C@@H](CNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)s1 3227136 SGYDSGYUDRBGNV-AWEZNQCLSA-N 426.976 3.586 0 40 IHAB O=C(OCC(=O)N1CCC(Cc2ccccc2)CC1)c1cc(Br)ccc1O 3239757 NQYBCIAGDJRFFH-UHFFFAOYSA-N 432.314 3.793 0 40 IHAB O=S(=O)(c1cccc(-c2nnc(SC/C=C/c3ccccc3)o2)c1)N1CCOCC1 3346684 ZBFJHGKZAAXQPH-VMPITWQZSA-N 443.550 3.563 0 40 IHAB O=C(Nc1nc(-c2cccnc2)cs1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 6191136 PRZHDBGANNMRLL-UHFFFAOYSA-N 447.497 3.835 0 40 IHAB C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccccc1)C(=O)NC(N)=O 8719638 YMJOEOAMMMVWLP-HNNXBMFYSA-N 437.569 3.966 0 40 IHAB Cc1ccccc1N1CCN(C(=O)c2ccccc2SCC(=O)NCc2ccco2)CC1 8721335 DVOLOYGIFQGCJI-UHFFFAOYSA-N 449.576 3.959 0 40 IHAB CC(C)N1C(=O)[C@](O)(CC(=O)c2ccc(I)cc2)c2ccccc21 8920172 DPFAQIJJRWCEOB-IBGZPJMESA-N 435.261 3.507 0 40 IHAB COc1cc2c(cc1OC)CN(C(=O)N[C@H](C(=O)NC1CCCCCC1)C(C)C)CC2 9184564 HGUUAUATRICXGZ-QFIPXVFZSA-N 431.577 3.635 0 40 IHAB COc1ccc2c(C)c(CCC(=O)N3CCN(c4ccc(F)cc4)CC3)c(=O)oc2c1C 9348839 RWNHXGSHHAPYPY-UHFFFAOYSA-N 438.499 3.839 0 40 IHAB CC(C)c1ccc(-c2nnn(CC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCO4)n2)cc1 9478761 RXBZYKLHOPVYKJ-HXUWFJFHSA-N 433.512 3.598 0 40 IHAB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CN2CCc3ccccc3C2)c1 9493670 UIDQESYYYAIPLZ-UHFFFAOYSA-N 435.549 3.509 0 40 IHAB CC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C 9532731 GGGALKDILAFVDL-SFHVURJKSA-N 428.945 3.544 0 40 IHAB CCn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)nnc1C1CC1 9666187 BKIJJHPWDMFIIG-UHFFFAOYSA-N 437.451 3.506 0 40 IHAB CC(C)c1ccc(NC(=O)CSc2nccn(-c3ccc4c(c3)OCCO4)c2=O)cc1 9761355 MZNGIENQEPOGSB-UHFFFAOYSA-N 437.521 3.858 0 40 IHAB O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccc2c(c1)OCCCO2 9823435 RGJAKBCLWWSCFX-UHFFFAOYSA-N 444.553 3.594 0 40 IHAB CCCn1cc(C(=O)Nc2ccc(C(=O)OC)cc2)c2nn(-c3ccccc3)c(=O)c-2c1 10062661 KOZOFPYIONRTIQ-UHFFFAOYSA-N 430.464 3.588 0 40 IHAB O=C(Nc1nc2c(s1)CCCC2)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 10187152 OHFMJJYFLJYAKP-LLVKDONJSA-N 431.992 3.529 0 40 IHAB CC(=O)Nc1ccc(NC(=O)COC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 10729414 QTQIUUOWHGAOSZ-LLVKDONJSA-N 425.268 3.901 0 40 IHAB CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)NCc1ccc(OC)cc1 11118611 OMPTWCXEXUCZET-UHFFFAOYSA-N 436.533 3.750 0 40 IHAB CCOc1ncc([C@]2(O)CCC[C@H]3CN(Cc4cc(F)ccc4F)C[C@@H]32)c(OCC)n1 12233412 KBOFMJAMTWUQHD-IGCHPXFFSA-N 433.499 3.672 0 40 IHAB COc1ccc(C)cc1NC(=O)CNc1cccc(S(=O)(=O)N2CCCCCC2)c1 12609080 SCIYXGSKPLKSGN-UHFFFAOYSA-N 431.558 3.619 0 40 IHAB C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)OCC(=O)N[C@H]2CCCC[C@H]2C)cc1 12668293 OLQMBSNWSZNTKR-GHDARCQNSA-N 444.572 3.707 0 40 IHAB COc1ccc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)cc1F 12758799 YBILBPGMLCWUOD-OKACTXMXSA-N 446.544 3.724 0 40 IHAB CCc1ccccc1NC(=O)CNC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 12779372 WROWMBXUNAVYIX-UHFFFAOYSA-N 427.932 3.510 0 40 IHAB Cc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)cc1 12786604 SEUYPDVFVZDRJC-IRXDYDNUSA-N 434.583 3.524 0 40 IHAB CCOC(=O)C1=C(CSc2nc(-c3ccccc3)c[nH]2)NC(=O)N[C@@H]1c1ccc(C)o1 12793870 RWRDHDDMYIUFFQ-LJQANCHMSA-N 438.509 3.942 0 40 IHAB O=c1c2ccccc2nc(CN2CCOCC2)n1Cc1nc(-c2ccc(F)cc2)cs1 12995028 OXULZBAUKQXNPM-UHFFFAOYSA-N 436.512 3.540 0 40 IHAB COc1ccc(CCN2C[C@H](C(=O)Nc3ccc4nc(C)sc4c3)CC2=O)cc1OC 13133644 XHFNKIGXEOLIQX-MRXNPFEDSA-N 439.537 3.652 0 40 IHAB CCc1ccc(N(CC(=O)NCCC(C)C)C(=O)CCC(=O)Nc2nccs2)cc1 13501917 CYYAYERATALVJU-UHFFFAOYSA-N 430.574 3.620 0 40 IHAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)c1C 13647356 AIGRBULVUSJBLS-QGZVFWFLSA-N 432.542 3.582 0 40 IHAB O=C(NCCSc1ccccc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 13688458 KYHQVWBBKYNSKZ-UHFFFAOYSA-N 439.002 3.649 0 40 IHAB Cc1cc(I)ccc1NC(=O)CCCN1C(=O)c2ccccc2C1=O 13717350 BBIINWLAWWAJMH-UHFFFAOYSA-N 448.260 3.615 0 40 IHAB O=C(CN1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1)Nc1ccccc1C(F)(F)F 14125151 GCNYZRIUXJPNJK-UHFFFAOYSA-N 444.457 3.512 0 40 IHAB O=C(N[C@@H]1CCSc2ccc(F)cc21)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 14244114 DZRSCUCKNIPLKE-XJKSGUPXSA-N 440.587 3.641 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)CCCc2nc3ccccc3s2)cc1 18206202 WOOXGQURKWPZHM-UHFFFAOYSA-N 445.610 3.966 0 40 IHAB Cc1ccc(C(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CCN(Cc2ccccc2F)C3)cc1 19135286 CXDSKJUDHOXGLP-HSZRJFAPSA-N 446.526 3.753 0 40 IHAB Cc1nccn1C[C@H](C)C(=O)N1CCN(C)C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)C1 19287707 XLGBTBYWBUUOFO-NBGIEHNGSA-N 444.579 3.654 0 40 IHAB COc1ccc(-c2noc([C@H]3CN(C(=O)CCc4cn(C)c5ccccc45)CCO3)n2)cc1 19290416 ZPLQQFVDPHMSIT-JOCHJYFZSA-N 446.507 3.770 0 40 IHAB O[C@@H](CN1CCC2(CC1)C[C@@H](O)c1ccc3ccccc3c1O2)c1ccc2c(c1)OCCO2 19376356 NXMDEXAUBWOWBC-PKTZIBPZSA-N 447.531 3.995 0 40 IHAB CSCC[C@H](NC(=O)c1cc2c(F)cccc2[nH]1)c1cc(=O)[nH]c(-c2ccccn2)n1 19573892 CHRQZJCZMDWXBD-INIZCTEOSA-N 437.500 3.677 0 40 IHAB CCN(CC)C(=O)c1cnc([C@@H]2CCN(C(=O)Cc3c(C)[nH]c4ccc(C)cc34)C2)nc1C 19757335 LWQBBRVEBJYTGZ-LJQANCHMSA-N 447.583 3.924 0 40 IHAB Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)Nc1ccc(F)c(C(F)(F)F)c1 20021788 DOBFPZPFALUDCE-UHFFFAOYSA-N 448.438 3.857 0 40 IHAB CCCNS(=O)(=O)c1ccc(OCC(=O)N[C@@H]2CCCc3ccccc32)c(Cl)c1 20022944 AUFRENUTOHTSCG-LJQANCHMSA-N 436.961 3.601 0 40 IHAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 20104885 NWNQLUVSWKKWKN-LJQANCHMSA-N 425.510 3.987 0 40 IHAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)c(C)c3)cc2)n1 20106834 OIWWWOWOLLPAMN-UHFFFAOYSA-N 446.916 3.565 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1Cl 20111703 PYYHSOWKBUWDGF-UHFFFAOYSA-N 438.933 3.538 0 40 IHAB Cc1ccccc1OC[C@H](C)NC(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 22374366 KMQQOBNMESZBHH-SFHVURJKSA-N 432.586 3.642 0 40 IHAB CC[C@@H](NC(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O)c1ccc(OC)c(OC)c1 22427592 SUKPKHAKOIPIFC-LJQANCHMSA-N 448.585 3.861 0 40 IHAB CCN1CCN(C(=O)[C@@H](C)Sc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)CC1 23936130 RVSIXKBOCVADLO-LJQANCHMSA-N 435.597 3.887 0 40 IHAB C[C@@H](Sc1nnc(NCCc2cccs2)s1)C(=O)N1CC(=O)Nc2ccccc21 24719958 LGYWTIPIYSLHPT-GFCCVEGCSA-N 445.595 3.720 0 40 IHAB COc1ccc(OC)c(CN(C2CC2)S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1 28055947 HYUNDGOAXFCDOX-UHFFFAOYSA-N 431.432 3.956 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)c(Cl)c1 30857139 BJMUPJBGGOHLJL-UHFFFAOYSA-N 445.324 3.575 0 40 IHAB O=C(c1ccc(F)cc1)N1CCC[C@H](C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)C1 32882891 XZFSTVRILHTMBB-MOPGFXCFSA-N 434.515 3.960 0 40 IHAB Cc1ccc(/C=C/c2nc(SCCC(=O)Nc3ccc(N4CCOCC4)cc3)n[nH]2)o1 32893522 DCAINCZCZMMIHQ-CMDGGOBGSA-N 439.541 3.834 0 40 IHAB CN1CCC2(CC1)N=C(SCC(=O)Nc1ccccc1F)C(c1ccc(F)cc1)=N2 35372772 AWOSMVUFAIJYSQ-UHFFFAOYSA-N 428.508 3.960 0 40 IHAB CC[C@H](C)[C@@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)NCc1ccccn1 36601971 QXRIMOQDJPEFPI-HRAATJIYSA-N 447.564 3.943 0 40 IHAB Cc1occc1C(=O)Nc1nc(CC(=O)Nc2nc(-c3ccccn3)cs2)cs1 40129211 KNDRWFRFCJSXPJ-UHFFFAOYSA-N 425.495 3.997 0 40 IHAB Cc1ccc(Nc2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2cccc(Cl)c2C)CC(=O)N3)cc1 40400511 QDKYKDXLWUNPPV-AWEZNQCLSA-N 437.887 3.848 0 40 IHAB CC(=O)OCC(=O)[C@]1(OC(C)=O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]21C 43773504 IASNEQDWRXBECK-ZEKWSJBJSA-N 430.541 3.952 0 40 IHAB biogenic CCOc1cccc(CNC(=O)CCCN(c2cc(Cl)ccc2C)S(C)(=O)=O)c1 44845120 ZWKFOANZXAFHIJ-UHFFFAOYSA-N 438.977 3.910 0 40 IHAB Cc1cccc2sc(NC(=O)CS(=O)(=O)Cc3cccc(Br)c3)nc12 48333048 YGPMGJLNDIVUCI-UHFFFAOYSA-N 439.356 3.921 0 40 IHAB COCCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nc2ccsc2c1=O 57425676 SCKQXFPTEXYQIC-UHFFFAOYSA-N 443.472 3.854 0 40 IHAB Cc1cccc(NC(=O)Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3sccc32)c1C 57426532 LBFHMVVBVHXBHX-UHFFFAOYSA-N 437.496 3.668 0 40 IHAB COc1ccccc1NC(=O)Cn1c(=O)n(Cc2ccc(C)c(C)c2)c(=O)c2sccc21 57426928 NQPFMAQDQVDHDV-UHFFFAOYSA-N 449.532 3.537 0 40 IHAB O=C(Cn1c(=O)n(-c2cccc(Cl)c2)c(=O)c2sccc21)Nc1ccc(F)c(F)c1 57491626 ZHWHTDJMARUIQJ-UHFFFAOYSA-N 447.850 3.784 0 40 IHAB CC(=O)Nc1c(C)cccc1-c1nnc(SCC(=O)Nc2cc(C)cc(C)c2)nc1O 64774870 UQYPEQMIYBMGOA-UHFFFAOYSA-N 437.525 3.859 0 40 IHAB NC(=O)c1cccc(COC(=O)c2ccccc2SCC(=O)NCC2CCCCC2)c1 65567918 KTRXOAKWACLALY-UHFFFAOYSA-N 440.565 3.931 0 40 IHAB O=C(NC1CCN(c2ncccn2)CC1)c1[nH]c2ccc(Br)cc2c1Cl 65590023 VVQZBAAPBDBESM-UHFFFAOYSA-N 434.725 3.773 0 40 IHAB Cc1ccc(-c2cc3c(=O)n(CCC(=O)NCCCc4ccccc4)ccn3n2)cc1C 67260922 JHOGONSFSPTCGQ-UHFFFAOYSA-N 428.536 3.919 0 40 IHAB CC(=O)N1CCC[C@@H]1C(=O)N(Cc1ccc(OCCC(C)C)cc1)CC(C)(C)N(C)C 72285176 ZIWFJKUDCMEMIC-HSZRJFAPSA-N 431.621 3.791 0 40 IHAB COc1ccc(CC(=O)N2CCC[C@@H](c3cccc(-c4cccc(C(N)=O)c4)n3)C2)cc1 72349561 TXFBRPHRJIRXFZ-OAQYLSRUSA-N 429.520 3.805 0 40 IHAB COc1cc(C(c2oc(C)cc(=O)c2O)c2oc(C)cc(=O)c2O)ccc1OCC(C)C 85878643 NHEPUHGXNPWFPY-UHFFFAOYSA-N 442.464 3.845 0 40 IHAB biogenic COc1ccc(C2(CNC(=O)Cc3c(C)nn(-c4ccccc4)c3C)CCOCC2)cc1 95474698 KVNDGBYGLWWLRZ-UHFFFAOYSA-N 433.552 3.905 0 40 IHAB Cc1ccc(C(=O)c2ccccc2NC(=O)CCNS(=O)(=O)c2ccc(C)cc2)cc1 97165235 AMHOFFOPAUMLJL-UHFFFAOYSA-N 436.533 3.842 0 40 IHAB COc1cc(Cl)c(C)cc1NC(=O)COC(=O)C12C[C@@H]3C[C@H](CC(NC(C)=O)(C3)C1)C2 102447747 GDQZGLUOWMGXAV-MTPGRUBUSA-N 448.947 3.614 0 40 IHAB CC(C)(C)OC(=O)N[C@]1(CN)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218633854 OFWVXHUKENCCBU-LVCYWYKZSA-N 436.961 3.502 0 40 IHAB CC[C@H](C(=O)Nc1ccccc1OC)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 220746143 WTYHNEJOYQYJCW-MRXNPFEDSA-N 426.922 3.541 0 40 IHAB Cc1ccc(N(C)C(=O)COc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1C 222751455 IQGGENHTWRIZQF-UHFFFAOYSA-N 430.570 3.910 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N[C@@H](C)c1cc(C)c(C)cc1C 223439328 GYFOBUREPJQLLE-SFHVURJKSA-N 430.570 3.896 0 40 IHAB COc1cccc(CCCNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)c1 223963363 VHTXGTAQBHFMQG-UHFFFAOYSA-N 442.512 3.998 0 40 IHAB COc1ccc(CCCNC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)cc1 223968933 PIHUUMIBNZUPJC-UHFFFAOYSA-N 442.512 3.998 0 40 IHAB Cc1ccc(OCCNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1C 224238906 JGRDYPYTJQGVHO-UHFFFAOYSA-N 430.551 3.975 0 40 IHAB Cc1cc(C)cc(N(CCCC(=O)NCCOc2ccc(Cl)cc2)S(C)(=O)=O)c1 224655714 DHTGKSITXPKAOT-UHFFFAOYSA-N 438.977 3.698 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCCOc1ccccc1)c1ccc2ccccc2c1 224686433 IBUBVVRXKJVFGF-UHFFFAOYSA-N 426.538 3.581 0 40 IHAB COc1ccc(OCCCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)C)cc1 225587299 YDOHNFFWEFACCR-SFHVURJKSA-N 430.520 3.935 0 40 IHAB COCCNC(=S)Nc1nc(Oc2ccccc2)cc(N2CCc3ccccc3C2)n1 225898888 SODLIGOQJLOKLS-UHFFFAOYSA-N 435.553 3.764 0 40 IHAB CCCN1CCN(C(=O)c2c[nH]cn2)C[C@H](Cc2cccc(-c3cccc(C)c3)c2)C1=O 257218455 DDFGQYHVGDJYDU-QHCPKHFHSA-N 430.552 3.938 0 40 IHAB O=C(O)c1cc(Cl)ccc1OCC(=O)N(CCCn1ccnc1)Cc1ccc(F)cc1 257310064 UDNJFTTVXDCXEI-UHFFFAOYSA-N 445.878 3.872 0 40 IHAB COc1ccc(C)cc1N([C@H](C)C(=O)NCc1cccc2ccccc12)S(C)(=O)=O 260836396 OXEWSCXWHRLBKZ-QGZVFWFLSA-N 426.538 3.628 0 40 IHAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 302769336 YFCYQTJOTOWZMJ-QFIPXVFZSA-N 441.531 3.912 0 40 IHAB CN1CCN(Cc2ccc3c(c2)OCO3)C[C@@H]1c1ncn2cc(-c3cccnc3)ccc12 306125863 DEAJLKPIACBQCC-JOCHJYFZSA-N 427.508 3.614 0 40 IHAB O=C(c1nc2c(s1)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1-2)N1CCCC1 306142852 XMMBIDXAEGJSBO-UHFFFAOYSA-N 439.562 3.751 0 40 IHAB O=C(CSc1n[nH]c(-c2cc(Br)ccc2O)n1)Nc1ccc(F)cc1F 408542948 LUFHBXLTSXHTBT-UHFFFAOYSA-N 441.257 3.949 0 40 IHAB O=C(CNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1)Nc1cccc(C(F)(F)F)c1 408551289 HFOGDWSANJYLAV-UHFFFAOYSA-N 434.201 3.706 0 40 IHAB CC(=O)Nc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC3CCCCC3)c2)c1 408585204 XPNURYVORAKLCG-UHFFFAOYSA-N 429.542 3.817 0 40 IHAB Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)cc2)cc1C 408660334 NTSOYMOVOXEQBE-OYRHEFFESA-N 432.476 3.555 0 40 IHAB CCc1ccccc1NC(=O)COC(=O)CCC(=O)Nc1ccc(C(=O)OC(C)C)cc1 408665133 UOGXJTCDGJPMJG-UHFFFAOYSA-N 440.496 3.715 0 40 IHAB COC(=O)CN1C(=O)/C(=C/c2ccc(OCc3cccc4ccccc34)cc2)N(C)C1=S 409216192 GDMXFHJQMTWEJO-HMAPJEAMSA-N 446.528 3.992 0 40 IHAB CN1C(=O)/C(=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)c2ccccc21 409225061 OFUFEZWUKDFOGF-WUKNDPDISA-N 445.859 3.501 0 40 IHAB Cc1nc(CN(C)C(=O)c2nc(-c3cccs3)n(-c3cccc(C(F)(F)F)c3)n2)no1 512582163 LVJIFVVKJJSVIY-UHFFFAOYSA-N 448.430 3.978 0 40 IHAB O=C(NCC1(c2ccc(Br)cc2)CCC1)NC1CCN(C(=O)C2CC2)CC1 514311984 RYCXKYPSASMNGX-UHFFFAOYSA-N 434.378 3.571 0 40 IHAB COc1cc(C(=O)N2CCNC(=O)[C@H]2c2ccccc2C(F)(F)F)ccc1OC(C)C 541063604 DTQYCSZANNADST-LJQANCHMSA-N 436.430 3.815 0 40 IHAB CC1CC(C(=O)N2C[C@@H](c3ccnn3C(C)C)[C@]3(CCCN(Cc4cccnc4)C3=O)C2)C1 585106454 KSVGFOMUUMQEPL-PWAGCUNGSA-N 449.599 3.640 0 40 IHAB Cc1nnnn1-c1ccc(C(=O)N2C[C@H](c3cccc(C(F)(F)F)c3)OC[C@H]2C)c(F)c1 1523264299 IXILALRMYCLNBF-CWTRNNRKSA-N 449.408 3.731 0 40 IHAB CCc1nc(NC(=O)CN2CC[C@@H]3[C@H]2CCCC(=O)N3Cc2ccc(F)cc2)sc1C 2037834632 XCPNKBNXPGQOMJ-WOJBJXKFSA-N 444.576 3.747 0 40 IHAB CCOc1cc(C)ccc1OCc1nnc(SCC(=O)NCCc2ccccc2)n1C 667459 KNNPPYNSXRVKQL-UHFFFAOYSA-N 440.569 3.552 0 40 IHAB CCOC(=O)c1c(NC(=O)c2cccc(Br)c2)sc(C(=O)N(C)C)c1C 671134 LOHAZYMRZOODBH-UHFFFAOYSA-N 439.331 3.950 0 40 IHAB Cc1ccccc1C(=O)NCc1nnc(SCC(=O)Nc2ccc(C(C)C)cc2)n1C 687446 OQFYCWMBJZLUME-UHFFFAOYSA-N 437.569 3.908 0 40 IHAB CCOC(=O)c1cccc(Cn2cnc3sc(C(=O)OCC(C)C)c(C)c3c2=O)c1 938120 ZGWNZLDENMLZBJ-UHFFFAOYSA-N 428.510 3.804 0 40 IHAB COc1ccc(-c2nnc(SCC(=O)Nc3c(C)cc(C)cc3Cl)n2N)cc1OC 2387189 QYXULQIUDNUFRO-UHFFFAOYSA-N 447.948 3.677 0 40 IHAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)c2ccc[nH]2)c1 2664811 HMPVXOIJWBSSNF-UHFFFAOYSA-N 446.912 3.529 0 40 IHAB CC(C)OCCCNC(=O)CCCn1c(=S)[nH]c2ccc(Br)cc2c1=O 2973728 ZDJMKBSKKKEARQ-UHFFFAOYSA-N 442.379 3.533 0 40 IHAB CCCCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(OCCCC)c(OCC)c1 4425898 LATGRPPUJOMKJS-FQEVSTJZSA-N 429.521 3.883 0 40 IHAB COC(=O)[C@@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1)C(C)C 6624296 OKDCAXLMEZADEK-FCHUYYIVSA-N 426.513 3.559 0 40 IHAB biogenic O=C(CN1CCC[C@H](c2nc3ccccc3s2)C1)NC(=O)Nc1ccc2c(c1)OCO2 8755989 QQPKDILEHNLCDP-AWEZNQCLSA-N 438.509 3.553 0 40 IHAB COc1ccc(-c2cc(=O)oc3cc(OCC(=O)NC[C@H](O)c4ccccc4)ccc23)cc1 8790863 MLQDWRAQRJVTFL-QHCPKHFHSA-N 445.471 3.697 0 40 IHAB biogenic COc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C([C@H](C)O)(c4ccccc43)[C@H]2C1=O 9036224 JSQDKYULULSUCM-NZOHUMLESA-N 425.484 3.627 0 40 IHAB O=C(NC1=NCCS1)c1cn(Cc2cccc(F)c2)nc1OCc1cccc(F)c1 9101945 GPMHIBVYBCNOJJ-UHFFFAOYSA-N 428.464 3.621 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCc3ccc(NC(=O)Cc4cccs4)cc3C2)cc1 9203516 HUXHVHLKOGDAFW-UHFFFAOYSA-N 426.563 3.985 0 40 IHAB Cc1cccc(C)c1NC(=O)CNC(=O)CSc1nnc(Nc2ccccc2F)s1 9255377 RXUGOCVONHKKPA-UHFFFAOYSA-N 445.545 3.885 0 40 IHAB CCn1c(CC(=O)Nc2ccccc2C)nnc1SCC(=O)N1CCCc2ccccc21 9302448 ITSDXQOHTVCCGE-UHFFFAOYSA-N 449.580 3.859 0 40 IHAB CCOc1cc(C)ccc1OCc1nnc(S[C@@H](C)C(=O)Nc2nc(C)cs2)n1C 9302641 RKDYATGFXUDIDJ-AWEZNQCLSA-N 447.586 3.985 0 40 IHAB CCOc1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)ccc1OCC(C)C 9499525 ZIMKWCAQBFNFDP-UHFFFAOYSA-N 434.558 3.931 0 40 IHAB O=C(CN(Cc1ccco1)S(=O)(=O)/C=C/c1ccccc1)NCCc1ccc(F)cc1 9507392 BOGNJIVVVDUDJG-DTQAZKPQSA-N 442.512 3.580 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2nc(C)c(C(C)=O)s2)ccc1Cl 9633368 WDWRERYJYMIHNN-UHFFFAOYSA-N 429.951 3.590 0 40 IHAB CS(=O)(=O)c1cccc(-c2nnc(NC(=O)C(c3ccccc3)c3ccccc3)o2)c1 9707639 NOQGRMQXALFFRN-UHFFFAOYSA-N 433.489 3.911 0 40 IHAB O=S(=O)(NCCOc1ccc(-c2ccc(F)cc2)nn1)c1cccc(C(F)(F)F)c1 9852933 FGADENLORQARJI-UHFFFAOYSA-N 441.406 3.659 0 40 IHAB Cc1ccc(OCCNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)c(C)c1 9888521 XZPNYODIWVGTHH-UHFFFAOYSA-N 436.961 3.550 0 40 IHAB COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)CC1=O 11748712 HQVSFQXAJBMQFL-OAHLLOKOSA-N 441.915 3.775 0 40 IHAB Cc1ccc(C(=O)N[C@@H](C(=O)Nc2nc3cc4c(cc3s2)OCCO4)C(C)C)cc1 11751588 RHCPEFPHSYGMGC-LJQANCHMSA-N 425.510 3.769 0 40 IHAB Cc1cc(C)n(CC(=O)N(Cc2ccccc2)Cc2nc(C)ncc2-c2ccccn2)n1 12089198 VJKWQCRBZWJYJH-UHFFFAOYSA-N 426.524 3.889 0 40 IHAB Cc1nc2cc(C3CCN(C(=O)[C@H](C)Cn4nc(C)c(Cl)c4C)CC3)nn2c(O)c1C 12134101 JFFQYXDHUFXWJE-GFCCVEGCSA-N 444.967 3.561 0 40 IHAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)CCc2ncc(-c3ccc(F)cc3)o2)c1C 12263920 MBZJSGIRLVXPFD-CQSZACIVSA-N 442.443 3.959 0 40 IHAB Cc1cc(C)cc(NC(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)c1 12507898 MVNLAWLMXNBVBG-UHFFFAOYSA-N 436.493 3.526 0 40 IHAB O=C(c1oc2ccccc2c1NS(=O)(=O)/C=C/c1ccc(Cl)cc1)N1CCOCC1 12650522 RSEJYJWFULZDRS-NTEUORMPSA-N 446.912 3.971 0 40 IHAB CNC(=O)c1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(OC)c4ccccc34)C2)cc1 12810387 PXYJBMZMXVSLLY-SFHVURJKSA-N 445.519 3.699 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 12813878 ZKIUNIVFOIDNCQ-UHFFFAOYSA-N 425.510 3.611 0 40 IHAB O=C(NCc1ccccc1)[C@@H](c1ccccc1)N(Cc1cccnc1)C(=O)c1csnn1 12874636 ZHEBVUJVARPENN-JOCHJYFZSA-N 443.532 3.633 0 40 IHAB Cc1nc(-c2ccc(CNC(=O)c3cc(S(N)(=O)=O)c(Cl)cc3Cl)o2)cs1 12989378 VCUDPPBLMATXGF-UHFFFAOYSA-N 446.337 3.596 0 40 IHAB Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2C[C@@H](C)NC(=O)c1c(Cl)cnn1C 13227546 KIDLZLBRORCOEL-LLVKDONJSA-N 426.826 3.534 0 40 IHAB C[C@@H](SCc1nc(N)nc(Nc2ccc(F)cc2)n1)C(=O)Nc1cc(F)ccc1F 15496364 ARKAKGHDFMENLY-SNVBAGLBSA-N 434.447 3.875 0 40 IHAB O=C(c1ccccc1)N1CCC(c2nc(O)c3nnn(Cc4ccccc4Cl)c3n2)CC1 15987576 LDCRKTYWCSXTSB-UHFFFAOYSA-N 448.914 3.648 0 40 IHAB CCSc1nnc(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2)s1 16097369 VEVWJHBTESFJKK-CHWSQXEVSA-N 440.616 3.569 0 40 IHAB Cc1cc(-c2cnc(NC3CC3)nc2C2CCN(C(=O)c3ccnn3C(F)F)CC2)on1 19123132 FNKUYBJWSGFGDB-UHFFFAOYSA-N 443.458 3.626 0 40 IHAB COc1ccccc1O[C@@H](C)C(=O)N1CCC([C@@H]2C[C@H](C(F)F)n3nc(C)cc3N2)CC1 19128416 LHBLLFVAPVTSNH-RYQLBKOJSA-N 448.514 3.897 0 40 IHAB O=C([C@@H]1CC12CCC2)N1CCC(c2cc3nc4c(c(O)n3n2)CN(C2CCCC2)CC4)CC1 19292134 VETCGORXKSHULB-FQEVSTJZSA-N 449.599 3.632 0 40 IHAB O=C(N1CCC([C@@H]2C[C@H](C(F)F)n3ncnc3N2)CC1)C1(c2ccc(Cl)cc2)CC1 19332702 QDMHHAPQVNILMQ-DLBZAZTESA-N 435.906 3.892 0 40 IHAB CCNC(=O)[C@]1(Cc2ccc(-c3ccccc3)cc2)CCCN(C(=O)c2cnccn2)C1 19528713 AXHDWEHTXWSMKT-SANMLTNESA-N 428.536 3.745 0 40 IHAB COc1cccc(OC)c1CN1CC[C@@](Cc2cccc(-c3ccncc3)c2)(C(N)=O)C1 19566992 OZIPRKJAOVBWDP-SANMLTNESA-N 431.536 3.686 0 40 IHAB CN(C)C(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)c2ccccc2)CCO1 19580709 GEJSJKNKLXWOQR-HHHXNRCGSA-N 428.532 3.896 0 40 IHAB COc1ccc(CN2CCN(C)C(=O)[C@@H](Cc3ccc(-c4ccncc4)cc3)C2)cc1OC 19589491 GSHJIFVFEKAGHR-DEOSSOPVSA-N 445.563 3.899 0 40 IHAB O=C(CCOc1cccc(F)c1)N1CCO[C@H](c2nccnc2-c2cccc(F)c2)C1 19693305 JNBUHQBFNWQOLR-FQEVSTJZSA-N 425.435 3.791 0 40 IHAB O=C(Nc1nccs1)c1ccc([C@@H]2CCCN2C(=O)c2ccc3nsnc3c2)nc1 19708156 MGPRMFQQISLQDQ-KRWDZBQOSA-N 436.522 3.772 0 40 IHAB Cc1ccc([C@@H]2CCCN2C(=O)Cn2cccc(C(=O)NCc3ccccc3)c2=O)cc1C 19750761 WLOLRUXFMOMKHC-DEOSSOPVSA-N 443.547 3.759 0 40 IHAB COc1ccccc1NC(=O)c1cnc([C@H]2CCCCN2C(=O)c2cnc(C)cn2)nc1C 19755800 CHIKHQTVFHQWDN-HXUWFJFHSA-N 446.511 3.512 0 40 IHAB NC(=O)c1cc([C@H]2CN(C(=O)C3(c4ccccc4F)CCCC3)CCO2)nc2ccccc12 19759539 ZQBLWHMOTPKNHD-HSZRJFAPSA-N 447.510 3.885 0 40 IHAB O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)OCC(=O)c1ccccc1 19881747 TYLHPKZZVMXSAL-UHFFFAOYSA-N 428.532 3.820 0 40 IHAB COc1cc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)c(OC)cc1Cl 19935721 IKLMFNWJLSKBET-UHFFFAOYSA-N 442.896 3.533 0 40 IHAB COC(CNc1ncnc2c1sc1nc(N3CCCC3)c3c(c12)CC(C)(C)OC3)OC 20394426 VGPFACHAZJLSCH-UHFFFAOYSA-N 443.573 3.722 0 40 IHAB C[C@H](Sc1nc(CN2CCOCC2)nc2ccccc12)C(=O)NCCC1=CCCCC1 22358708 HCPHOEJSEQNLGZ-SFHVURJKSA-N 440.613 3.949 0 40 IHAB Cc1ccc(N(CC(=O)NCc2ccc(F)cc2)S(=O)(=O)c2ccccc2)c(C)c1 22427962 TWUZAIKLDVLTFK-UHFFFAOYSA-N 426.513 3.954 0 40 IHAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 22458119 YQQWGJDORMYHBN-PKOBYXMFSA-N 434.989 3.878 0 40 IHAB COc1ccc(NC(=O)Cc2cc(=O)[nH]c(SCc3cccc(Cl)c3)n2)c(OC)c1 23138244 OIKLSRRWMFZSJE-UHFFFAOYSA-N 445.928 3.914 0 40 IHAB COc1cc([C@@H](c2sc3nc(C)nn3c2O)N2CCC[C@@H](C)C2)cc(OC)c1OC 23157953 LLIIRNMRYDHBER-PXAZEXFGSA-N 432.546 3.652 0 40 IHAB O=C(c1cc(-c2ccccc2)c(N2CCOCC2)s1)N1CCN(Cc2ccncc2)CC1 23955794 AKLLBGHHIRRALW-UHFFFAOYSA-N 448.592 3.605 0 40 IHAB Cc1cccc(Nc2nnc(SC[C@H](O)COCc3ccc4c(c3)OCO4)s2)c1 24094722 SIYUXSIFCPUNNQ-MRXNPFEDSA-N 431.539 3.989 0 40 IHAB O=C(Nc1ccc(F)cc1)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 24613543 PZLDJZAQBIFAMU-UHFFFAOYSA-N 428.888 3.799 0 40 IHAB CSc1ccc(N2C[C@H](C(=O)N(C)Cc3cnn(Cc4ccccc4)c3)CC2=O)cc1 26555316 SDRLDDAYLGFJHZ-HXUWFJFHSA-N 434.565 3.665 0 40 IHAB CC(C)Cc1ccc([C@@H](C)NC(=O)Cn2c(CS(C)(=O)=O)nc3ccccc32)cc1 27090892 XLSRRNIORKCNDU-QGZVFWFLSA-N 427.570 3.657 0 40 IHAB COCCn1c(S[C@@H]2CCCCCC2=O)nc2ccc(Br)cc2c1=O 28188765 TWBWIGVCSJLUKS-MRXNPFEDSA-N 425.348 3.799 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2cc(Cl)ccc2OC)c(C)c1 28207729 NZTUUIIOBLSUCW-UHFFFAOYSA-N 440.949 3.705 0 40 IHAB CCN(CC)C(=O)CN(C)C(=O)c1ccccc1C(=O)c1ccc(Br)cc1 29710277 FPRKKEHNYRLYSH-UHFFFAOYSA-N 431.330 3.621 0 40 IHAB C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)Nc1ccc(OC(F)F)cc1 29755313 NUMXNJRKQRWHRL-JOCHJYFZSA-N 429.423 3.616 0 40 IHAB COC(=O)CCCNC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1O 32913879 TUVOMPNBLFOHCZ-UHFFFAOYSA-N 425.268 3.634 0 40 IHAB COc1ccc(/C=C/c2nc(-c3cccc(OCC(=O)N4CCCC4)c3)no2)cc1OC 33327503 OHIPRMZXIXKSJE-PKNBQFBNSA-N 435.480 3.925 0 40 IHAB Cc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)NC4CC4)c4ccccc34)NC2=S)cc1C 39556355 HZASIPIPHJLBTR-MTJSOVHGSA-N 444.560 3.799 0 40 IHAB O=C(Cn1cnc(-c2cccs2)cc1=O)Nc1ccc(-c2cn3ccsc3n2)cc1 49028345 LZRJHPQBSVAYSW-UHFFFAOYSA-N 433.518 3.987 0 40 IHAB CCN(C(=O)CN1CN(c2ccc(C)cc2)c2ncccc2S1(=O)=O)c1ccccc1 49411417 WACBKIASWJGEHI-UHFFFAOYSA-N 436.537 3.543 0 40 IHAB COc1cccc([C@@H]2CC(=O)Nc3c(C(=O)O)cn(-c4cc(F)cc(F)c4)c32)c1OC 61721141 ZHGGJXZHIGVBPX-HNNXBMFYSA-N 428.391 3.945 0 40 IHAB Cc1ccc(-n2nnc(C(=O)N3CCO[C@H](c4ccc(Br)cc4)C3)c2C)cc1 62514294 QWHZJCRHUQKERF-IBGZPJMESA-N 441.329 3.860 0 40 IHAB Cc1cccc(C)c1NC(=O)Cn1cnc2nc(N(C)Cc3ccccc3)sc2c1=O 67225737 YYYGBSLXFKPGAW-UHFFFAOYSA-N 433.537 3.745 0 40 IHAB COc1cc(C)c2[nH]c3c(c(=O)c2c1)CN(CC(=O)Nc1ccc(C)c(Cl)c1)CC3 67349877 HNHZJZNJMKACAL-UHFFFAOYSA-N 425.916 3.804 0 40 IHAB Nc1nc(COC(=O)c2cccc(NS(=O)(=O)Cc3ccccc3)c2)nc2ccccc12 70017374 ALGJSSCTDWHFBF-UHFFFAOYSA-N 448.504 3.511 0 40 IHAB C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@@H]3C[C@H]4[C@H](CC(=O)[C@H]5C[C@@H](O)CC[C@@]54C)[C@@H]3CC[C@H]1[C@]2(C)O 70707833 IQDIERHFZVCNRZ-LODRTTMNSA-N 429.645 3.886 0 40 IHAB biogenic O=C(CSc1nncs1)Nc1ccc(Br)cc1-c1nc(C2CC2)no1 72309253 QYDRZKUUAKJFDE-UHFFFAOYSA-N 438.332 3.959 0 40 IHAB O=C1NCCN(C(=O)CCCOc2ccccc2F)[C@@H]1Cc1ccccc1-c1cccnc1 72351529 KDEQUSVCQMFHKO-HSZRJFAPSA-N 447.510 3.616 0 40 IHAB Cc1ncsc1C(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(Cc1ccccn1)CCC2 72372882 DAMVMJHOAUOALL-IBGZPJMESA-N 434.569 3.875 0 40 IHAB O=C(CN1CCC[C@@H]1c1cc(CCOc2cccc(Cl)c2)[nH]n1)Nc1ccccn1 72378333 KURIKTFSFMFJRQ-HXUWFJFHSA-N 425.920 3.855 0 40 IHAB COc1ccc(OC)c(-c2cc(C(=O)NC[C@@H](O)c3ccc(C(F)(F)F)cc3)n(C)n2)c1 77200978 BXCQXCNBNGVYQY-LJQANCHMSA-N 449.429 3.587 0 40 IHAB CCN(CC)CCOc1ccccc1NC(=O)N1CCC[C@H](c2nncn2C2CC2)C1 95460843 XVGGGIYCURWMMU-SFHVURJKSA-N 426.565 3.745 0 40 IHAB CS(=O)(=O)c1ccc(OCCCC(=O)N[C@@]2(C(F)(F)F)CCc3ccccc32)cc1 96005876 VVUYXWNEWOALGV-FQEVSTJZSA-N 441.471 3.769 0 40 IHAB CC[C@@H]1C(=O)N(c2ccc(C)cc2)C(=O)[C@H]2C(=O)Oc3ccc(Br)cc3[C@H]12 100144722 JYGFBQOMAKQUPL-WBAXXEDZSA-N 428.282 3.976 0 40 IHAB COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](C(=O)C(C)(C)C)N2c4ccccc4C=C[C@H]32)cc1 103536006 DWVUYDLNFHGLKI-YSFYHYPLSA-N 430.504 3.700 0 40 IHAB CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)c(C)c1 222572988 MIWICHTWVPEDFI-UHFFFAOYSA-N 430.526 3.662 0 40 IHAB COC(=O)c1cn(C(=O)CCCN(c2cccc(C)c2)S(C)(=O)=O)c2ccccc12 222627489 DCDCSLGJRNWDGY-UHFFFAOYSA-N 428.510 3.623 0 40 IHAB Cc1cc(C(=O)Nc2nnc(SCc3ccccc3)s2)ccc1N(C)S(C)(=O)=O 223669932 LJCYBIQAZIVGIC-UHFFFAOYSA-N 448.595 3.787 0 40 IHAB COc1ccc(S(=O)(=O)NC(C)(C)Cc2ccccc2)cc1C(=O)N1CCCCC1 223873504 HTVOCPXRLKYMFV-UHFFFAOYSA-N 430.570 3.621 0 40 IHAB Cc1ccccc1OCCNC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1C 224102309 PKNJUKKSHBMVNX-UHFFFAOYSA-N 430.570 3.533 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCCOc1ccccc1Cl)c1cccc(Cl)c1 224630149 GWLSPKPCPGOJHC-UHFFFAOYSA-N 445.368 3.735 0 40 IHAB O=S(=O)(c1ccc(CNC(=S)Nc2ccc3sncc3c2)cc1)N1CCCC1 225214336 DHCACLNDKPRORX-UHFFFAOYSA-N 432.596 3.567 0 40 IHAB COc1ccc(NC(=O)[C@@]2(C)CCCN(c3ccc(Cl)cc3)S2(=O)=O)c(OC)c1 225950643 WIJVLJHXNKUREL-HXUWFJFHSA-N 438.933 3.685 0 40 IHAB O=S(=O)(c1ccc2ccccc2c1)N1CC[C@@H](Oc2ncccc2Br)C1 238851528 JKASRTDHJZJAGU-MRXNPFEDSA-N 433.327 3.839 0 40 IHAB CC(C)(C)OC(=O)N[C@]1(CN)[C@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccccc1 242687464 UGWFIKWKIQAQFF-DBXWQHBBSA-N 436.961 3.502 0 40 IHAB Cn1nc(C(C)(C)C)cc1C(=O)N1CCNC(=O)[C@@H]1Cc1ccccc1-c1ccc(F)cc1 257203679 ARCCGEDOYXMHSF-NRFANRHFSA-N 448.542 3.707 0 40 IHAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)CN3CCC(C)CC3)CC2)on1 257301329 RXZIHDMFUHADNM-MXVIHJGJSA-N 425.577 3.870 0 40 IHAB CCc1nnsc1C(=O)NC[C@@H]1CC[C@@]2(C)C[C@H](c3ccccc3)C[C@](C)(O2)[C@H]1O 257302031 SBCFYMDJMQWAER-XJWJWMFXSA-N 429.586 3.713 0 40 IHAB CC(C)C(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](CCNC(=O)c4cccc(F)c4)OCC[C@@]31C2 257326925 WZDINRCKIXOFDY-UMDFVWGNSA-N 430.564 3.928 0 40 IHAB CC1CCN(c2cc(N3CCCC[C@H]3C)nc(NC(=S)NCc3cccnc3)n2)CC1 260712515 IAMUPWWANJJTOS-GOSISDBHSA-N 439.633 3.973 0 40 IHAB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)c(OC)cc2OC)NC(=S)N1 408604442 JECCNULSJSJJGF-MRXNPFEDSA-N 443.363 3.602 0 40 IHAB Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1 408666781 PNWJPRIDFOZTDU-UHFFFAOYSA-N 440.496 3.851 0 40 IHAB CCc1cccc(C)c1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(F)ccc2OC)C1 408713807 YRXKTAHKHOFLQR-QGZVFWFLSA-N 434.533 3.745 0 40 IHAB Cc1cc(C)c(C)c(-c2c3c(nc4c2c(=O)n(C)c(=O)n4C)-c2ccccc2[C@@H]3O)c1C 408983496 KRXUZAXBZWLKIQ-QHCPKHFHSA-N 427.504 3.595 0 40 IHAB CCc1ccc(NC(=O)CSc2nnc(CNC(=O)c3cccc(C)c3)n2CC)cc1 409060484 WFWIMMMOZXZNLW-UHFFFAOYSA-N 437.569 3.830 0 40 IHAB Cc1cc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccccc3C)C2)ccc1Br 409125976 DIUGYJFRFRDEMD-OAHLLOKOSA-N 445.313 3.601 0 40 IHAB COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)c(OC)c1 409365443 ZJOWTWKIXXNDGG-VXLYETTFSA-N 426.494 3.996 0 40 IHAB CC[C@@H]1C[C@@H](C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)CC(=O)N1 541703561 BWLIIWMUKAKGQF-GDBMZVCRSA-N 449.960 3.693 0 40 IHAB Cc1cc(OC[C@@]2(CC(=O)N3CCCCC3)CN(C(=O)CC3CC3)CCO2)ccc1Cl 585283244 CPSDCNSLHSXOJS-XMMPIXPASA-N 448.991 3.828 0 40 IHAB Cc1nn(C(C)(C)C)c(C)c1C(=O)N(C)CCN(C)C(=O)c1c(C)nn(C(C)(C)C)c1C 614144138 YHBFNVCXVLLSAD-UHFFFAOYSA-N 444.624 3.667 0 40 IHAB Cc1ccc2c(c1)C(=O)N(CC(=O)Nc1ccccc1CN1CCc3ccccc31)C2=O 614792390 JMPKMXSUAQXJFE-UHFFFAOYSA-N 425.488 3.792 0 40 IHAB CC(C)C(=O)N1CCCCCCCNCc2cc(C(=O)N3CCC(CCO)CC3)ccc21 643584162 VSSDOJKHFVKNAG-UHFFFAOYSA-N 443.632 3.964 0 40 IHAB COc1ccc(Cc2nnc(NS(=O)(=O)c3ccc(Br)cc3)s2)cc1 947780 KCEMLRILFCPYGD-UHFFFAOYSA-N 440.344 3.701 0 40 IHAB COc1ccc(Nc2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccccc23)cc1 2692143 SHUBLANNZAUMPN-UHFFFAOYSA-N 431.477 3.863 0 40 IHAB CC[C@@H](C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(=O)NC(C)C 3190310 OEYHHWCQMQUJJZ-IERDGZPVSA-N 425.529 3.617 0 40 IHAB CCOc1ccccc1OCC(=O)OCC(=O)Nc1ncc(C(F)(F)F)cc1Cl 3271435 CXMGPYBNWZUTLI-UHFFFAOYSA-N 432.782 3.713 0 40 IHAB C[C@@H](OC(=O)CNC(=O)c1cccc(F)c1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 3319471 ALYBOLRGUAPOFG-SNVBAGLBSA-N 446.784 3.798 0 40 IHAB COc1cccc(NC(=S)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1 3339374 KPADMMUFUIJWBQ-UHFFFAOYSA-N 441.578 3.552 0 40 IHAB CCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1nc(-c3ccc(OC)cc3)cs1)C2=O 3340727 QKUIBTAOMGZUBG-UHFFFAOYSA-N 442.541 3.648 0 40 IHAB CCOC(=O)c1c(NC(=O)COC(=O)c2ccc3ccccc3n2)sc(C(C)=O)c1C 3513658 APVLYEGSCYRLHW-UHFFFAOYSA-N 440.477 3.780 0 40 IHAB CC(=O)Nc1ccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(C(=O)C3CCCCC3)C2)cc1 6133695 KCKAMIAOAQXUSF-GHTZIAJQSA-N 433.552 4.000 0 40 IHAB biogenic,in-vitro COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccc(Cl)cc2)c(OC)c1 6237899 WYNWXUJOSDIHGE-IBGZPJMESA-N 425.876 3.876 0 40 IHAB Cc1c(O[C@@H](C)C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)ccc2c3c(c(=O)oc12)CCC3 6825127 ANYNUAYZGOSFKZ-QLODZENZSA-N 425.525 3.511 0 40 IHAB COc1ccc(OC)c(S(=O)(=O)NCCc2sc(-c3ccc(C)cc3)nc2C)c1 8601208 IKJWYJBBEIMINI-UHFFFAOYSA-N 432.567 3.965 0 40 IHAB O=C(NC(=S)Nc1ccc(OC[C@H]2CCCO2)cc1)c1ccc(Br)o1 8722840 RHWRQWKDXRFMEC-CYBMUJFWSA-N 425.304 3.727 0 40 IHAB Cc1cc(C)c(NC(=O)CNC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)c(C)c1 8862516 PATYYKAKIRGABY-FQEVSTJZSA-N 429.520 3.873 0 40 IHAB CC(C)COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3C)cc1 9165885 DNNWDFFFKOLDDI-UHFFFAOYSA-N 432.542 3.904 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCSc4ccccc43)CC2)cc1 9255018 UTQYKCPCNXAOEE-HXUWFJFHSA-N 430.595 3.749 0 40 IHAB CCn1c(SCC(=O)Nc2nnc(C3CCCCC3)s2)nnc1-c1ccncc1 9304168 NQVOYGLPXXWVCT-UHFFFAOYSA-N 429.575 3.990 0 40 IHAB Cn1ccnc1C(=O)c1cc(SCC(=O)N2CCc3ccccc32)nc2ccccc12 9492000 NTRPCYGLUPYQIQ-UHFFFAOYSA-N 428.517 3.881 0 40 IHAB O=C(C[C@H]1OC(=O)c2ccccc21)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 9711999 QIXJXTVDCWOQMP-HXUWFJFHSA-N 440.452 3.867 0 40 IHAB Cc1ccccc1-n1c(SCc2nc(-c3cccs3)no2)nnc1N1CCOCC1 9779984 WSXYUJPUHITSPD-UHFFFAOYSA-N 440.554 3.816 0 40 IHAB CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C2(c3ccc(Cl)cc3)CCCC2)n1 9822185 LZSOWRFRJQLZHL-UHFFFAOYSA-N 425.920 3.930 0 40 IHAB Cc1cc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)n(-c2nc(C)c(C)c(=O)[nH]2)n1 9822338 GKVUFOZCGTWNTI-UHFFFAOYSA-N 425.920 3.985 0 40 IHAB CC(=O)c1ccc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(Cl)s2)cc1 10812427 OFIROHSEXZJQRC-HNNXBMFYSA-N 426.947 3.786 0 40 IHAB C[C@@H](Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)C(=O)Nc1ccc(F)cc1 11363825 RHTIZHJEMMQUAU-PBHICJAKSA-N 427.501 3.834 0 40 IHAB CCOc1ncccc1C(=O)OCC(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 11480252 MNJYXTFTFRNSOD-QGZVFWFLSA-N 447.491 3.767 0 40 IHAB CC(C)Cc1ccc([C@H](C)C(=O)N2CCC3(CC2)Nc2ccccc2S(=O)(=O)N3)cc1 12142331 YDRSVTHOJYNMPO-SFHVURJKSA-N 441.597 3.711 0 40 IHAB CN(CC(=O)Nc1ccccc1Cl)Cc1cc2c(cc1Br)OCCO2 12751712 AOAGDIMKLHIEOF-UHFFFAOYSA-N 425.710 3.944 0 40 IHAB CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCO[C@H](c2ccccc2)C1 12762250 NLFYBTLLXYUERB-UXHICEINSA-N 432.973 3.792 0 40 IHAB C[C@@H](NC(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(Cl)c(Cl)c1 12770702 RXSOXKIZXLDKMI-CYBMUJFWSA-N 434.323 3.727 0 40 IHAB O=C(c1ccc(-c2ccccc2Cl)o1)N1CCN(S(=O)(=O)c2ccccc2)CC1 12923534 BXUFTYFJXALKKW-UHFFFAOYSA-N 430.913 3.747 0 40 IHAB COc1cc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccccc2)ccc1NC(C)=O 13075238 CGLWBTVBOCAORH-UHFFFAOYSA-N 439.493 3.707 0 40 IHAB Cc1sc2nc(N3CCN(C(=O)Nc4ccc(Cl)cc4)CC3)n3ncnc3c2c1C 13629813 CNIVAQUJSHCRID-UHFFFAOYSA-N 441.948 3.963 0 40 IHAB CCOC(=O)c1cccc(NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)c1 13647443 CPHFYCWDJHZZBZ-UHFFFAOYSA-N 445.324 3.575 0 40 IHAB C[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2nc(NS(C)(=O)=O)sc2c1 13723593 HFJPMFDDMOTMSJ-GFCCVEGCSA-N 428.539 3.510 0 40 IHAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)/C=C/c1cc(Cl)c2c(c1)OCCCO2 14094951 BUHKGNZEOUQQLR-CMDGGOBGSA-N 439.899 3.800 0 40 IHAB COC(=O)c1ccc(OC(=O)Cn2c(C)nc3scc(-c4cccs4)c3c2=O)cc1 15634461 HBZSAYNJMVVKSX-UHFFFAOYSA-N 440.502 3.887 0 40 IHAB O=C(Cc1csc(-c2ccsc2)n1)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 15639326 CWSXSFWCFDBZLX-INIZCTEOSA-N 427.551 3.962 0 40 IHAB CSCC[C@H](NC(=O)C[C@@H]1Sc2ccccc2NC1=O)c1nc2ccccc2[nH]1 16646099 FPBOXHFNXNWQMM-WMZOPIPTSA-N 426.567 3.976 0 40 IHAB Cc1cccc(CC(=O)N2CCC[C@H]2c2nn(C)cc2-c2ccnc(N3CCCC3)n2)c1 19234701 IQYAEKITQXSCGH-QFIPXVFZSA-N 430.556 3.692 0 40 IHAB O=C1NCCN(C(=O)c2ccc3oc(O)nc3c2)C[C@@H]1Cc1ccc(-c2ccccc2)cc1 19374193 BKEBMWIIDIUBIW-NRFANRHFSA-N 441.487 3.631 0 40 IHAB CC(C)Nc1ncc(-c2ccncc2)c(C2CCN(C(=O)c3cc(C4CC4)n[nH]3)CC2)n1 19450281 HCCHFHMENAOLKD-UHFFFAOYSA-N 431.544 3.979 0 40 IHAB CCNC(=O)[C@@]1(Cc2ccc(-c3ccccc3OC)cc2)CCN(C(=O)c2cccnc2)C1 19529060 MGZQYQDTEARBIE-HHHXNRCGSA-N 443.547 3.968 0 40 IHAB CNC(=O)[C@@]1(Cc2ccc(-c3ccc(OC)cc3)cc2)CCCN(Cc2cnn(C)c2C)C1 19553599 JCAWNJWNSBCRLR-HHHXNRCGSA-N 446.595 3.975 0 40 IHAB COc1cccc(OC)c1CN1CCN(C)C(=O)[C@@H](Cc2ccc(-c3cccnc3)cc2)C1 19589445 PVOIPMCFAWVDMX-QHCPKHFHSA-N 445.563 3.899 0 40 IHAB COc1cccc(CCN2C(=O)CCc3c(C)nc(CN(C)C(=O)C[C@H]4C=CCC4)nc32)c1 19698641 YORSENLRZJOROH-IBGZPJMESA-N 448.567 3.630 0 40 IHAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)N(C)C3CCCCC3)Oc3ccccc32)cc1 20112419 BHUVEQBAWLQOOA-QFIPXVFZSA-N 428.554 3.742 0 40 IHAB Cc1ccccc1[C@@H](NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C)c1ccccc1 20493037 VNMNUXLSSBIQOL-DEOSSOPVSA-N 437.565 3.514 0 40 IHAB Cc1c(O)ccc2c(CSc3nnc([C@@H]4COc5ccccc5O4)n3C)cc(=O)oc12 23524356 HPWQCOTWBAXWJE-SFHVURJKSA-N 437.477 3.740 0 40 IHAB C[C@H](NC(=O)COC(=O)CCC(=O)c1ccc2c(c1)CCCC2)c1ccc2c(c1)OCO2 25102757 MXONSFKDHOFDAY-INIZCTEOSA-N 437.492 3.678 0 40 IHAB CCOC(=O)c1cccc(OC[C@@H](O)CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1 25230059 KOERXQFXIBCHEW-RBBKRZOGSA-N 441.524 3.601 0 40 IHAB COc1ccc([C@H]2CCCN2C(=O)C[C@@H](NC(N)=O)c2ccc(Cl)cc2)cc1OC 25613010 MOBHPEFRXINQAI-QZTJIDSGSA-N 431.920 3.820 0 40 IHAB CCOC(=O)C1=C(CN(C)CCOc2cccc(Cl)c2)NC(=O)N[C@@H]1c1cccs1 27373613 UBLHHFFHCZTMST-LJQANCHMSA-N 449.960 3.583 0 40 IHAB Cc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)no2)cc1C 27663764 PPFGZNIQODEODX-UHFFFAOYSA-N 449.492 3.802 0 40 IHAB Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 32962483 KBSBYHXIJIJRNK-RDSFPOOSSA-N 433.596 3.997 0 40 IHAB COC(=O)c1cccc(NC(=O)c2sccc2N(C)S(=O)(=O)c2ccccc2)c1 33141786 FDCNQAHPYRDFSV-UHFFFAOYSA-N 430.507 3.612 0 40 IHAB CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1ccc(C(=O)O)cc1 33765819 KZVOVEMVNHCKTO-UHFFFAOYSA-N 426.498 3.614 0 40 IHAB CCOC(=O)c1[nH]cnc1C(=O)Nc1ccc(Br)cc1C(=O)c1ccccc1 35569049 YETMLEGGGXQLJI-UHFFFAOYSA-N 442.269 3.832 0 40 IHAB Cc1cc(C(=O)COC(=O)c2cc3c(s2)CCCCC3)c(C)n1[C@@H]1CCS(=O)(=O)C1 36235077 DGZNEEXFDZFMIO-QGZVFWFLSA-N 449.594 3.835 0 40 IHAB CCOc1ccc(CN(C)C(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)cc1OC 40160386 KQZDCYWNAQBIQW-FQEVSTJZSA-N 438.524 3.763 0 40 IHAB Cc1sc(=O)n(CC(=O)N2CCN(C)C[C@H]2c2ccccc2)c1-c1ccc(F)cc1 48276920 MLWZQMRGHIIWAP-FQEVSTJZSA-N 425.529 3.540 0 40 IHAB CCN(C(=O)Cn1c(=O)n(-c2ccc(C)c(C)c2)c(=O)c2sccc21)c1ccccc1 57491022 KFKFISYAMSBLJO-UHFFFAOYSA-N 433.533 3.884 0 40 IHAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 61565255 RLIQSJFREMEGBZ-UHFFFAOYSA-N 445.882 3.950 0 40 IHAB COc1cc([C@H]2CC(=O)Nc3c(C(=O)O)cn(-c4cc(F)cc(F)c4)c32)cc(OC)c1O 61720640 UZGUALKLKMLYFH-CQSZACIVSA-N 444.390 3.651 0 40 IHAB COc1ccc(C)cc1NC(=O)Cn1nc2c(Sc3ccc(C)cc3C)nccn2c1=O 67255684 UQNAMTKLNPJLBF-UHFFFAOYSA-N 449.536 3.615 0 40 IHAB COc1ccccc1C(=O)N1CCCN(C(=O)Cc2c(C)nc3ccccc3c2C)CC1 70012437 JPSMWIZABWQTRJ-UHFFFAOYSA-N 431.536 3.777 0 40 IHAB COc1ccc(NC(=O)C2(NC(=O)c3cc4c(C)nn(C)c4s3)CCCC2)cc1OC 72310328 QDJYNOGBCXVFRR-UHFFFAOYSA-N 442.541 3.642 0 40 IHAB O=C(CN1CCC(n2c(=O)oc3ccc(Cl)cc32)CC1)NC12CC3CC(CC(C3)C1)C2 72347897 IVYWITTUGGYGPZ-UHFFFAOYSA-N 443.975 3.970 0 40 IHAB CN(C(=O)CN1CCC[C@@H](c2cc(C(F)(F)F)c3c(N)n[nH]c3n2)C1)C1CCCCC1 72374482 ZKMMFXCHMWQWOH-CYBMUJFWSA-N 438.498 3.529 0 40 IHAB C[C@H]1CC[C@H]2C(=O)N(c3cccc(OC(=O)[C@@H]4CC(=O)N(c5ccccc5)C4)c3)C(=O)[C@@H]2C1 95483133 WOJFIYOWTOKWHS-LFWOZUSOSA-N 446.503 3.571 0 40 IHAB CC(C)S(=O)(=O)c1ccc(CC(=O)NCc2nn(C3CCCC3)c3c2CCCC3)cc1 96099238 GDOKUGMLKCPMLK-UHFFFAOYSA-N 443.613 3.918 0 40 IHAB Cc1ccc(NC(=O)[C@@H]2C[C@@]3(CO2)CN(C(=O)c2ccc(F)cc2)c2ccccc23)cn1 96143977 YYTYLIZUKACTGN-DHLKQENFSA-N 431.467 3.855 0 40 IHAB COc1ccc2c(c1Oc1nnnn1-c1ccccc1)[C@]13C=CC=C[C@@H]1[C@H](C2)N(C)CC3 96316428 LESJUFQCEZICRC-RNHFSVANSA-N 427.508 3.703 0 40 IHAB biogenic,in-vitro COc1ccccc1CNC(=O)c1ccc(CN(c2ccccc2F)S(C)(=O)=O)cc1 113964463 QIPNHLIEUNUVFB-UHFFFAOYSA-N 442.512 3.731 0 40 IHAB O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CC[C@H](S(=O)(=O)Cc2ccco2)C1 206693302 OTNIETMIQUOTOM-IBGZPJMESA-N 436.489 3.917 0 40 IHAB O=C(COc1c(Br)cc(C(=O)O)cc1Br)Nc1ccccc1 217735904 UQGFEEFOKRBYGL-UHFFFAOYSA-N 429.064 3.927 0 40 IHAB COc1ccc(CNC(=O)COc2ccc(Cl)cc2Br)c(OC)c1OC 218854501 CURBIWLRBYTQBY-UHFFFAOYSA-N 444.709 3.824 0 40 IHAB CC[C@H](C(=O)NCCCc1ccc(OC)cc1)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220576246 YTZGXEWVMRWOLL-JOCHJYFZSA-N 432.586 3.606 0 40 IHAB COC(=O)c1cn(C(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)c2ccccc12 222627771 SIQMOGBKNSZVPM-UHFFFAOYSA-N 448.928 3.968 0 40 IHAB COc1ccc(CCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)cc1OC 222666445 HTGBDPYMCQBUTR-SFHVURJKSA-N 426.557 3.968 0 40 IHAB COc1ccc(S(=O)(=O)Nc2cc(C(=O)NCc3ccccc3F)ccc2C)cc1 224102493 PUXLFGMNMHXIMK-UHFFFAOYSA-N 428.485 3.874 0 40 IHAB CCCn1c(=O)sc2cc(S(=O)(=O)NCc3ccc(CN4CCCC4)cc3)ccc21 224520826 KAVGQTRCEKNWME-UHFFFAOYSA-N 445.610 3.547 0 40 IHAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)N[C@@H](C)C(C)C)Oc3ccc(Cl)cc32)cc1 225219358 QZVHISWQDXBNTF-YWZLYKJASA-N 436.961 3.765 0 40 IHAB CCOC(=O)c1cc(NC(=S)NCc2ccccc2CN2CCOCC2)ccc1Cl 225778608 KWVLNWLRFVYOFK-UHFFFAOYSA-N 447.988 3.836 0 40 IHAB C[C@@]12C[C@H]3[C@@H](Cc4ccccc4)N[C@@H]1CCC[C@@H]2N3C(=O)COc1ncnc2ccccc12 257287845 PRSVBTVCKUZXLN-KLWMKENUSA-N 442.563 3.751 0 40 IHAB O=C(c1ccccc1Cn1cccn1)N1CCOC[C@@H](Cc2cccc3cnccc23)C1 257322646 WGUWUHUCEBMTND-FQEVSTJZSA-N 426.520 3.811 0 40 IHAB COc1ccccc1-c1cccc([C@H]2CCCN(Cc3ccnc(N4CCOCC4)n3)C2)n1 257328335 XFEUPVMELONRDW-FQEVSTJZSA-N 445.567 3.763 0 40 IHAB Cc1ccc(CNS(=O)(=O)c2ccc(O[C@@H](C)C(=O)NC3CCCCC3)cc2)cc1 408592112 NWKCOHADAUTFKZ-SFHVURJKSA-N 430.570 3.690 0 40 IHAB COc1cccc(NS(=O)(=O)c2ccc(O[C@@H](C)C(=O)NC3CCCCC3)cc2)c1 408604803 FWYHUCJRLAPJCH-INIZCTEOSA-N 432.542 3.712 0 40 IHAB CCc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4C3=O)cc2)cc1 408660288 NKEFCIBLZGAZTJ-PTRHGPIFSA-N 446.503 3.580 0 40 IHAB CC(=O)Nc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 409117515 PANLZSUJOPEIMU-UHFFFAOYSA-N 437.521 3.787 0 40 IHAB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccc(I)cc2)C1=O 409210771 MKCRQQIWDJGBRP-GARZTLJTSA-N 445.278 3.669 0 40 IHAB COC(=O)COc1ccc(/C=C2\SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)cc1 409358027 JTBNBKZBSYSTMP-ZDLGFXPLSA-N 445.880 3.811 0 40 IHAB COc1cc([C@@H](CC(=O)NCCCc2ccccc2)c2oc(C)cc(=O)c2O)ccc1O 524731833 MAXHIIIZXORFQC-LJQANCHMSA-N 437.492 3.639 0 40 IHAB biogenic Cc1ccc(-c2cncc(-c3nc(-c4cccc([C@@]5(C)NC(=O)NC5=O)c4)no3)c2)cc1 546359330 SFHUBKUDUOEXAB-XMMPIXPASA-N 425.448 3.829 0 40 IHAB O=C(Nc1nc(CC(=O)N2CC[C@]3(CCc4ccccc4O3)C2)cs1)c1cccc(O)c1 565707920 GLZOYBFGWLNQTO-XMMPIXPASA-N 449.532 3.640 0 40 IHAB CN(Cc1ccccc1)[C@H]1[C@H](NC(=O)OC(C)(C)C)C[C@@H](Oc2cccc(F)c2)[C@@H]1O 585261657 XSEWERGEEHXDKV-CZYKHXBRSA-N 430.520 3.732 0 40 IHAB Cc1nc(N)c2c(C)c(C(=O)Nc3cccc(NC(=O)[C@H](C)n4cccn4)c3)sc2n1 679180551 UMVLLTLYCPDCNQ-LBPRGKRZSA-N 435.513 3.539 0 40 IHAB COc1ccccc1NC(=O)CSc1nnc(-c2ccccc2Br)n1C 915467 UCMBETBXIJLYOU-UHFFFAOYSA-N 433.331 3.984 0 40 IHAB CC(C)(C)[C@@H]1CCc2c(sc3nnn(CC(=O)N4CCCc5ccccc54)c(=O)c23)C1 1331871 QWIUVLUOYBRLFF-MRXNPFEDSA-N 436.581 3.983 0 40 IHAB Cc1cc(NC(=O)CSc2nc3c(c(=O)n2-c2ccc(Cl)cc2)SCC3)no1 2719995 YPMZEJOVTCSYIX-UHFFFAOYSA-N 434.930 3.561 0 40 IHAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1 3319132 VDQXQPFONPAYRD-SFHVURJKSA-N 444.487 3.730 0 40 IHAB COc1cccc(-n2c(SCc3cc(=O)n4ccsc4n3)nc3ccccc3c2=O)c1 3542779 RFTUAICFFKVGAW-UHFFFAOYSA-N 448.529 3.756 0 40 IHAB CCn1c(CNC(=O)c2cccc(C)c2)nnc1S[C@H](C)c1nc2ccccc2c(=O)[nH]1 8784454 USNNPXADMXVXSD-OAHLLOKOSA-N 448.552 3.626 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1F)c1ccc(Cl)cc1Cl 8810510 WUMQNHHAKUFNAG-LBPRGKRZSA-N 447.315 3.842 0 40 IHAB COc1cc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(C)c(C)c2)cc(OC)c1OC 8843844 NRWYIZWGHTTWCM-HXUWFJFHSA-N 441.553 3.761 0 40 IHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1c2c(nn1C(C)(C)C)CS(=O)(=O)C2 8910080 IXYROXPXELZPHF-UHFFFAOYSA-N 425.938 3.516 0 40 IHAB COC(=O)C1=C2N(C)c3ccccc3N2C(=O)N[C@]1(c1ccc(OC)cc1)C(F)(F)F 9119800 OQCANTKETHVMAQ-FQEVSTJZSA-N 433.386 3.517 0 40 IHAB COc1ccc(CNc2nc(-c3cccnc3)nn2C(=O)c2ccccc2F)cc1OC 9288883 PCGHZWBUISSXRF-UHFFFAOYSA-N 433.443 3.797 0 40 IHAB CCOc1cc2c(cc1CNC(=O)NCC(=O)Nc1c(C)cc(C)cc1C)O[C@H](C)C2 9502310 HIYDUSQJGJKEHO-QGZVFWFLSA-N 425.529 3.772 0 40 IHAB O=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCC2)c1ccc2c(c1)OCO2 9569420 QGYJWOXUPCPSGQ-UHFFFAOYSA-N 436.489 3.809 0 40 IHAB C[C@@H](NC(=O)COC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccc(Cl)cc1Cl 9576922 GXUFDAFDOCHPOT-GFCCVEGCSA-N 448.306 3.583 0 40 IHAB COc1ccc(C2=NN(C(=O)CN(C)Cc3ccc4c(c3)OCO4)[C@@H](c3ccco3)C2)cc1 9640185 GQZYAQFJNXSCGX-OAQYLSRUSA-N 447.491 3.827 0 40 IHAB COc1cc(OC)cc(C(=O)Nc2nc(CC(=O)N3CCCc4ccccc43)cs2)c1 9659223 SINALDHNXSCYJH-UHFFFAOYSA-N 437.521 3.935 0 40 IHAB CC(=O)Nc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCC[C@H](C)C3)c2)cc1 9662598 YBWHQLLOIVMIRZ-AWEZNQCLSA-N 449.960 3.971 0 40 IHAB CCn1c(S[C@H](C(=O)N2CCOCC2)c2ccccc2)nnc1-c1ccccc1OC 9684656 CEBIZBQEVYQSLP-FQEVSTJZSA-N 438.553 3.666 0 40 IHAB Cc1ccc(Cn2c(=O)c3ncccc3n(Cc3ccc(C(F)(F)F)cc3)c2=O)cc1 9843507 NHEWHPRUSMVTQH-UHFFFAOYSA-N 425.410 3.982 0 40 IHAB CCCC(=O)Nc1ccc(C(=O)CSc2nnnn2-c2cc(C)ccc2OC)cc1 9869854 LPOLAICDTWRIOL-UHFFFAOYSA-N 425.514 3.693 0 40 IHAB CC(C)c1ccc(C(=O)COC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 11244998 CLOYUKZJWZMNSL-UHFFFAOYSA-N 447.528 3.776 0 40 IHAB Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N3CCc4sccc4C3)CC2)c(C)c1 12212366 GVGBWVYQKRPEAE-UHFFFAOYSA-N 432.611 3.659 0 40 IHAB O=C(NCc1cccc(NC(=O)C2CC2)c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 12525903 GFMNYGJQBVTXPB-UHFFFAOYSA-N 449.532 3.766 0 40 IHAB CC[C@H](C)c1ccccc1OCC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1O 12769368 SITODKUTWBCCCD-INIZCTEOSA-N 434.558 3.954 0 40 IHAB COc1cccc(/C=C2\N=C(c3ccc(N4CCCC4=O)cc3)OC2=O)c1OC(F)F 12794030 WWCFRQZPFILZPO-VBKFSLOCSA-N 428.391 3.768 0 40 IHAB COc1ccc(NC(C)=O)cc1NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 12849292 UUORMLPVFLFDKH-UHFFFAOYSA-N 429.904 3.798 0 40 IHAB C[C@H](NC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)c1cccc2ccccc12 12889609 KEZZOYGAELCADU-PXNSSMCTSA-N 438.549 3.788 0 40 IHAB CCCOc1ccccc1C(=O)Nc1nnc(S(=O)(=O)Cc2ccccc2F)s1 13629396 DEGBMHAYNWACSH-UHFFFAOYSA-N 435.502 3.692 0 40 IHAB O=S(=O)(NC[C@@H]1CN(Cc2ccccc2)CCO1)c1ccc(Cl)cc1C(F)(F)F 14085160 IBVICRSVRPSYIS-MRXNPFEDSA-N 448.894 3.538 0 40 IHAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 14202268 ABLGYVBJVOXQBK-XMMPIXPASA-N 445.563 3.968 0 40 IHAB CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3C)cc2Cl)CC1 14271641 SMCMRRHROGPZAH-UHFFFAOYSA-N 444.988 3.834 0 40 IHAB O=C(Nc1ccccc1C(F)(F)F)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 14429789 BDFZEOPPRRBBQC-UHFFFAOYSA-N 448.850 3.632 0 40 IHAB COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(C)C)cc3)c(=O)n2[C@H]1c1ccccc1 16740738 NAQPDMFXSQWJMM-FGGAIWKESA-N 432.545 3.532 0 40 IHAB O=C(C[C@H]1CCCCO1)N1CCCC[C@@H]1c1nc(O)c2c(n1)CN(C1CCCCC1)CC2 19014877 WXPNYVUTICKDGZ-DENIHFKCSA-N 442.604 3.886 0 40 IHAB C[C@H](C(=O)N1CCC[C@H]1c1c(-c2ccnc(N3CCCC3)n2)cnn1C)c1ccccc1 19459240 BOFWTXUBOFAAAZ-AVRDEDQJSA-N 430.556 3.945 0 40 IHAB COc1ccc(CC(=O)N2CCC[C@H]2c2nc(N(C)C)ncc2-c2onc(C)c2C)cc1 19558450 IJHFEVOHUMMJTA-FQEVSTJZSA-N 435.528 3.729 0 40 IHAB O=C(CC1CCCC1)N1CC[C@H](c2c(C(=O)N3CCOCC3)sc3ncccc23)C1 19696217 YQTSJTUNBQPNQH-KRWDZBQOSA-N 427.570 3.665 0 40 IHAB CNc1nc([C@@H]2CCCN2C(=O)C2(c3ccc(F)cc3)CCCC2)nc2c1CCN(C)C2 19707395 FMVHRLKCSYHJDU-NRFANRHFSA-N 437.563 3.821 0 40 IHAB CCN(C(=O)c1nonc1N)[C@H]1CCO[C@@H](c2ccccc2-c2cc(F)cc(F)c2)C1 19711923 KHQKUOHADSPCGU-QFBILLFUSA-N 428.439 3.979 0 40 IHAB COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2C)c(OC)c1 20061610 NVKRQCNOPTXNDZ-UHFFFAOYSA-N 432.542 3.829 0 40 IHAB CCOc1cccc(CNC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)c1 20106413 CKDKSIOWQCBQEY-UHFFFAOYSA-N 446.569 3.589 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H](C)Oc1ccccc1C 20453673 BEXCTTQQRPDFPS-KRWDZBQOSA-N 432.542 3.584 0 40 IHAB CCN1CCN(C(=O)[C@H](C)Sc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)CC1 23936133 RVSIXKBOCVADLO-IBGZPJMESA-N 435.597 3.887 0 40 IHAB Cc1ccc([C@@H]2C(S(=O)(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCN(C)C)cc1 24193006 KOYSGYVSBDTDKX-LJQANCHMSA-N 448.972 3.727 0 40 IHAB CC1CCN(c2nn(CN3CCc4ccccc4C3)c(=S)n2C[C@H]2CCCO2)CC1 26551690 WBVWZVOYBGXDIN-OAQYLSRUSA-N 427.618 3.845 0 40 IHAB COCCN(Cc1nc(-c2ccc(OC)cc2)no1)Cc1nnc(-c2cccs2)o1 26873711 AAZLDYXOSMUSLY-UHFFFAOYSA-N 427.486 3.505 0 40 IHAB COc1c2c(c(NC(=O)COc3cc(C)ccc3C(C)C)c3c1OCO3)CCN(C)C2 32123777 WJKMHLAOJNLBKI-UHFFFAOYSA-N 426.513 3.861 0 40 IHAB biogenic Cc1ccn2cc(C(=O)OCc3nc4ccccc4c(=O)n3-c3ccc(F)cc3)nc2c1 32837657 OAHQTZGFWIDYKV-UHFFFAOYSA-N 428.423 3.838 0 40 IHAB Cc1sc(N2C(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2=O)c(C(N)=O)c1-c1ccc(C(C)(C)C)cc1 34780750 PVKHYBNHAYKHSF-LVYXFOGZSA-N 438.549 3.787 0 40 IHAB O=C1CSc2sc3c(=O)n(C[C@H](c4cccs4)N4CCCCC4)cnc3c2N1 35671613 DZXCCMKINDNGGH-GFCCVEGCSA-N 432.596 3.791 0 40 IHAB CC(C)N(CCNC(=O)C1CCN(C(=O)c2csc(-c3ccccc3)n2)CC1)C(C)C 40150160 XYBLWYGENJHTTD-UHFFFAOYSA-N 442.629 3.897 0 40 IHAB Cc1ccc(S(=O)(=O)NCCCC(=O)N[C@@H](C)c2ccc(C(F)(F)F)cc2)cc1 40155432 LTWUVVVGZQSDKW-HNNXBMFYSA-N 428.476 3.950 0 40 IHAB CCc1ccc(-c2ccc(=O)n(CCC(=O)NCc3cccc(Br)c3)n2)cc1 41253985 BFECXYAXFISXOY-UHFFFAOYSA-N 440.341 3.942 0 40 IHAB O=C(NC1CCN(C(=O)C2CCCCC2)CC1)[C@@H](OCC(F)(F)F)c1ccccc1 48302543 RABRVWBYVFLKCB-IBGZPJMESA-N 426.479 3.994 0 40 IHAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1ccc(CN2C(=O)CSC2=O)cc1 58138944 GCLPFQYTOKHCNJ-UHFFFAOYSA-N 448.426 3.889 0 40 IHAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCc3ccco3)Oc3ccc(Cl)cc32)cc1 64986154 HDBSEIFIFUQJKH-HXUWFJFHSA-N 446.912 3.514 0 40 IHAB Cc1cccc(NC(=O)c2nnn(CC(=O)Nc3ccccc3Br)c2C)c1C 67322399 PXMZQXYMFWSSKE-UHFFFAOYSA-N 442.317 3.857 0 40 IHAB Cc1ccc(-c2nnc(CCC(=O)Nc3ccc(NC(=O)NC[C@@H]4CCCO4)cc3)o2)cc1 69981041 IYQGJQMCXVMXGC-FQEVSTJZSA-N 449.511 3.917 0 40 IHAB COc1ccc(CC(=O)N2CCC[C@@H](c3cccc(-c4ccc(C(N)=O)cc4)n3)C2)cc1 72349563 WRPIGXQTCXVQAK-OAQYLSRUSA-N 429.520 3.805 0 40 IHAB O=C1COc2ccc(NC(=O)c3cn(C4CC4)c4cc(Cl)c(F)cc4c3=O)cc2N1 95418175 LOWPMWZNOWODFU-UHFFFAOYSA-N 427.819 3.712 0 40 IHAB O=S(=O)(c1ccc(F)c(Cl)c1)N1CCC(Oc2ncccc2Br)CC1 96097015 CKBYDGKTZUCANR-UHFFFAOYSA-N 449.729 3.869 0 40 IHAB CCc1noc(CCC(=O)NC[C@H]2CC[C@H](c3c(C(N)=O)sc4ccccc43)CC2)n1 100657949 HNKOJDUMKIUEGC-GASCZTMLSA-N 440.569 3.968 0 40 IHAB COc1ccc(C(=O)N[C@@H](c2cc(O)n3nc(C4CCOCC4)cc3n2)C(C)C)s1 100730045 KRGRRIXXNDQIKU-HXUWFJFHSA-N 430.530 3.526 0 40 IHAB O=C(COC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1)Nc1cccc(C(F)(F)F)c1 107883509 OSRQFJUGJDCKJV-LBPRGKRZSA-N 440.805 3.894 0 40 IHAB CC[C@H](C(=O)Nc1ccccc1C(=O)NC(C)(C)C)N(c1cccc(C)c1)S(C)(=O)=O 220512242 NDDCJTHZTVLQMY-HXUWFJFHSA-N 445.585 3.707 0 40 IHAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1ccccc1F 222538112 XXPVIMOSZHNHKM-JOCHJYFZSA-N 438.474 3.730 0 40 IHAB Cc1ccc(C)c(N(CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)S(=O)(=O)N(C)C)c1 222951780 JSGFXTXMGFLADL-IBGZPJMESA-N 443.613 3.672 0 40 IHAB Cc1ccc(OCCNC(=O)[C@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1C 224045855 JDFPVTRRJFFPIJ-KRWDZBQOSA-N 438.977 3.615 0 40 IHAB COc1cccc(CN(C(=O)COc2cc(C)cc(C)c2C)[C@@H](C)C(=O)NC(C)C)c1 225661918 XTDPHAUIDILSOX-FQEVSTJZSA-N 426.557 3.941 0 40 IHAB CCn1c(=O)sc2cc(S(=O)(=O)NCCCc3ccc(OC(C)C)cc3)ccc21 225696175 DHEKWHZBFKCDDS-UHFFFAOYSA-N 434.583 3.781 0 40 IHAB CCOC(=O)Cc1ccc(NC(=O)c2cc3cc(N(C)S(C)(=O)=O)ccc3s2)cc1 225851391 VSNAANXKHAYMBE-UHFFFAOYSA-N 446.550 3.655 0 40 IHAB COc1ccccc1N1CCN(C(=O)c2c(-c3ccc(F)cc3)noc2[C@H](C)O)CC1 253401100 MMJCYGPYEYWYBC-HNNXBMFYSA-N 425.460 3.505 0 40 IHAB biogenic,in-vitro CC[C@@H]1c2ccc(O)c3c2[C@]24CCN(C)[C@H]1[C@]21C=C[C@@](OC)([C@@H](C(C)(C)O)C1)[C@@]4(C)O3 253505431 WFNORGSBXRKKDN-GVKMAPOVSA-N 425.569 3.725 0 40 IHAB biogenic,in-vitro Cc1cc(C[C@H]2CCC[C@@H]3CN(CC(=O)Nc4ccc5c(c4)nc(C)n5C)C[C@@H]32)ncn1 257252150 JTSQTQAFWOOVSX-WOIUINJBSA-N 432.572 3.509 0 40 IHAB CN(C(=O)c1c[nH]nc1[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)C1CCCCC1 257295707 QZNUJMKMBUQYHU-FQEVSTJZSA-N 448.564 3.869 0 40 IHAB COc1ccccc1CC(=O)NC[C@H]1CC[C@H](c2ccnc3nc(C(F)(F)F)nn32)CC1 257296191 RBQAUMGMVJPHQF-SHTZXODSSA-N 447.461 3.784 0 40 IHAB COc1ccc([C@H]2CN(C(C)=O)CCN2C(=O)c2cccnc2Oc2ccc(C)nc2)cc1 257298769 RNFKOWBPLPAVCD-HSZRJFAPSA-N 446.507 3.632 0 40 IHAB COc1ccc(Cl)cc1N([C@H](C)C(=O)N[C@H](C)CCc1ccccc1)S(C)(=O)=O 260455481 WHLBBUQFHKRNPM-HZPDHXFCSA-N 438.977 3.641 0 40 IHAB Cc1cccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3ccc(C)cc3C)n2C)c1 409144014 PATFKRZSFSYCFR-KRWDZBQOSA-N 437.569 3.962 0 40 IHAB O=C(CN1C(=O)C(=O)c2cc(Br)ccc21)Nc1ccc(Cl)c(Cl)c1 409370678 AEUHWTJLYKOQDR-UHFFFAOYSA-N 428.069 3.924 0 40 IHAB O=C(NCc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 409392328 RIDMZHBCTAFJQE-HNNXBMFYSA-N 427.353 3.711 0 40 IHAB Cc1cc(S(N)(=O)=O)ccc1CNC(=O)N[C@@H]1CCc2ccc(-c3ccccc3)cc21 507382721 QZXSZYRGLKRULN-HSZRJFAPSA-N 435.549 3.796 0 40 IHAB O=C(Nc1ncn(C2CCCCC2)n1)C(=O)N1CCC(c2c[nH]c3ccc(F)cc23)CC1 511331427 DLLGIUWAUFSOPM-UHFFFAOYSA-N 438.507 3.748 0 40 IHAB CO[C@@H]1CCN2C[C@@H]1CCCCN(Cc1cscn1)CCOc1cccc(c1)C2=O 2037978299 ODOGHYSPXDZUPQ-SIKLNZKXSA-N 429.586 3.685 0 40 IHAB COc1ccc(S(=O)(=O)N(Cc2ccco2)Cc2cc3cc(C)ccc3[nH]c2=O)cc1 883347 WIQWGLKYWIKCCZ-UHFFFAOYSA-N 438.505 3.829 0 40 IHAB O=C(NCc1ccccc1)[C@@H](c1ccc(O)cc1)N(C(=O)c1cnccn1)c1ccccc1 931189 FQIIGBXVWBRHBA-XMMPIXPASA-N 438.487 3.887 0 40 IHAB CCOC(=O)c1c(NC(=O)COC(=O)c2ccccc2OC)sc2c1CC[C@@H](C)C2 954964 FUVZJVBIPNSUDC-CYBMUJFWSA-N 431.510 3.854 0 40 IHAB Cc1cccc(-n2c(SCC(N)=O)nc3sc4c(c3c2=O)CC(C)(C)SC4)c1 1902881 KDBRKEFWSKMUHW-UHFFFAOYSA-N 431.608 3.901 0 40 IHAB CCCC(=O)N[C@@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(OC)c(=O)cc21 2021271 XWHJWSRKXWWZRN-QGZVFWFLSA-N 427.497 3.652 0 40 IHAB CC[C@H](C)[C@H](NC(=O)COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1)C(=O)O 2146514 DMWOBBWCACNISE-WNSKOXEYSA-N 437.492 3.687 0 40 IHAB biogenic CCOC(=O)c1c(Nc2nc3ccccc3nc2N2CCN(C)CC2)sc(C)c1C 2358201 BDUZBDFDXCSFOR-UHFFFAOYSA-N 425.558 3.980 0 40 IHAB COCCCn1c(SCC(=O)Nc2ccccc2)nc2sc3c(c2c1=O)CCC3 3334837 WWTAJPRSUPTQQF-UHFFFAOYSA-N 429.567 3.714 0 40 IHAB COc1cccc(/C=C/C(=O)OCC(=O)c2cc(C)n(C[C@@H]3CCCO3)c2C)c1OC 3338530 SJQFUGHLSKTHRI-VYENPZKTSA-N 427.497 3.740 0 40 IHAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)cc2)c(C)c1 6142731 BLKPOIYAWPEWFU-MOPGFXCFSA-N 430.526 3.934 0 40 IHAB COC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=O)N2C2CCCC2)cc1 8583830 ZAVCGAYDAALQJT-HXUWFJFHSA-N 435.480 3.582 0 40 IHAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)N(C)Cc3ccc(Cl)cc3)s2)cc1 8594486 DMCMCWLLZVKCNW-UHFFFAOYSA-N 436.946 3.573 0 40 IHAB O=C(Cn1c(CN2CCCC2)nc2sc3c(c2c1=O)CCCC3)N1CCc2ccccc21 8825251 IQSNBPBZZINXRM-UHFFFAOYSA-N 448.592 3.522 0 40 IHAB CCOC(=O)c1sc(NC(=O)CSc2nnc3ccc4ccccc4n23)nc1C 8844354 QYSSTZZFPKHUBW-UHFFFAOYSA-N 427.511 3.555 0 40 IHAB Cn1cnnc1SCC(=O)Nc1cc(-c2ccc3c(c2)CCC3)nn1-c1ccccc1 8893868 YERMQJNEVVPHDL-UHFFFAOYSA-N 430.537 3.887 0 40 IHAB COc1ccc(-c2nn(CC(=O)N3CCCc4ccccc43)c(=O)c3nc(C)sc23)cc1 8955339 GYXUQYNIFLNGRN-UHFFFAOYSA-N 446.532 3.816 0 40 IHAB CCN1C(=O)C(C)(C)COc2cc(NS(=O)(=O)c3ccc(OC)c(Cl)c3)ccc21 9166517 UTYZWWISIXKBHY-UHFFFAOYSA-N 438.933 3.921 0 40 IHAB C[C@@H](NC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O)c1ccc2c(c1)OCO2 9365868 LXWTZHSOIVQTKN-CQSZACIVSA-N 433.489 3.731 0 40 IHAB Cc1nn2c(-c3ccc(S(=O)(=O)N[C@@H](C)c4ccccc4)o3)nnc2c2ccccc12 9452576 PANTWCBZCCPNMM-AWEZNQCLSA-N 433.493 3.885 0 40 IHAB Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc(C)cc3Cl)n2N)c(C)c1 9463784 XTPIOXDCWIIBLY-UHFFFAOYSA-N 431.949 3.880 0 40 IHAB Nc1nc(COC(=O)c2ccc(NC(=O)c3cccs3)cc2)nc(Nc2ccccc2)n1 9670959 DMJDLHRYLSEKMK-UHFFFAOYSA-N 446.492 3.868 0 40 IHAB COc1ccc(Nc2nc(Nc3cccc(Cl)c3)nc(N3CCOCC3)n2)cc1OC 9708837 HKAPCZVMEWLYOJ-UHFFFAOYSA-N 442.907 3.866 0 40 IHAB O=C(Nc1ccccc1OCC(F)(F)F)C1CCN(S(=O)(=O)c2cccs2)CC1 10115509 ZEKAVZAPNGHSLN-UHFFFAOYSA-N 448.488 3.729 0 40 IHAB COc1ccc(CCN[C@@H](CC(=O)Nc2c(Cl)cccc2Cl)C(=O)O)cc1OC 10186416 COLBQHKJUNIYKO-HNNXBMFYSA-N 441.311 3.625 0 40 IHAB Cc1cc(C)cc(N2C(=O)N(CC(=O)N3CCCCCC3)c3ccccc3S2(=O)=O)c1 10273270 WAAWVJRACRRICB-UHFFFAOYSA-N 441.553 3.841 0 40 IHAB CC(C)(C)c1cc(C(F)(F)F)n2nc(C3CCN(C(=O)Cn4cccn4)CC3)cc2n1 12160386 DPJFHYCYANEUMM-UHFFFAOYSA-N 434.466 3.648 0 40 IHAB CCc1nnc(-c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)o1 12443896 XYRCGJVVCATENO-UHFFFAOYSA-N 440.525 3.726 0 40 IHAB O=C(CSc1nnc(-c2ccc(O)cc2)n1Cc1ccco1)N1CCc2ccccc2C1 12467972 ACGDOENMVGVLMG-UHFFFAOYSA-N 446.532 3.969 0 40 IHAB Cn1ccnc1[C@@H](NS(=O)(=O)c1ccccc1Br)c1ccc(Cl)cc1 12540421 NQHQGXFCJPMNND-INIZCTEOSA-N 440.750 3.904 0 40 IHAB O=C(CCCNC(=O)c1ccc(F)cc1F)Nc1ccccc1I 12788388 KWOFOVGHDAJPCX-UHFFFAOYSA-N 444.219 3.718 0 40 IHAB O=C1NC2=C(C(=O)N(Cc3ccccc3)C2)[C@H](c2ccc(OCc3ccccc3)cc2)N1 12879310 SACYVVOPGSHRJK-DEOSSOPVSA-N 425.488 3.916 0 40 IHAB CC(C)NS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1 12910265 HYCHDFPCUFTVGD-HXUWFJFHSA-N 444.553 3.512 0 40 IHAB C/C=C/c1ccc(OC[C@@H](O)Cn2nnc(-c3ccc(Br)cc3)n2)c(OC)c1 12922683 IUBYGECYRIHMIN-IDOMTICXSA-N 445.317 3.584 0 40 IHAB CCCCn1c(=O)c(CCC(=O)OCC(=O)N2CCCc3ccccc32)nc2ccccc21 13149685 YWLPLMQBWVUCFD-UHFFFAOYSA-N 447.535 3.652 0 40 IHAB Cn1c(COc2ccc(Cl)cc2Cl)nnc1SCC(=O)NCc1ccco1 13566574 IJMVYQCJZIBOFS-UHFFFAOYSA-N 427.313 3.702 0 40 IHAB CCn1nc(O)/c(=N\c2c(C)n(C)n(-c3ccccc3)c2=O)cc1-c1ccc(Cl)cc1 13615909 AMINHRURAIRYTM-PLRJNAJWSA-N 435.915 3.959 0 40 IHAB COc1cccc(C(=O)N2CCC(C(=O)NCCc3c(C)[nH]c4ccc(F)cc34)CC2)c1 13689972 GMZJSHXVLCUYBC-UHFFFAOYSA-N 437.515 3.835 0 40 IHAB CN1CCc2c(sc3nc(NC[C@H]4CCCO4)n(-c4cccc(Cl)c4)c(=O)c23)C1 13770343 MMOHMGXHCAEACD-OAHLLOKOSA-N 430.961 3.679 0 40 IHAB CSCC[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)Nc1cccc2cccnc12 14242348 LJUKSFQKXBCOLX-MQMQVCBVSA-N 441.578 3.885 0 40 IHAB COc1ccccc1NC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 14357051 OVSNNQFQOFUGKQ-UHFFFAOYSA-N 440.521 3.846 0 40 IHAB Cc1cc(C)c(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)c(C)c1 14361439 WSCFZZYDZKCTST-UHFFFAOYSA-N 436.599 3.977 0 40 IHAB Cc1ccc(S(C)(=O)=O)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 14867627 HWIIYUMXBLBSFH-UHFFFAOYSA-N 427.853 3.872 0 40 IHAB Cc1noc(C)c1COc1ccc(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1 15553908 PPYKZXLTEWVTEK-UHFFFAOYSA-N 447.413 3.585 0 40 IHAB O=C(CSc1nc(=O)n(Cc2ccccn2)c2c1CCC2)Nc1ccc(Cl)cc1 15882770 GKZBEXZDUXWCQO-UHFFFAOYSA-N 426.929 3.560 0 40 IHAB CC[C@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1cc(Br)ccc1OC 16121102 CPUATFUTCLHOHZ-LBPRGKRZSA-N 441.347 3.787 0 40 IHAB O=c1c2ncccc2n(Cc2ccc(Br)cc2)c(=O)n1Cc1ccc(F)cc1 17170310 PDBJHDVLZQJZAN-UHFFFAOYSA-N 440.272 3.556 0 40 IHAB CC(=O)N1Cc2ccccc2OC2(CCC(N(C)C(=O)c3cc(C(C)(C)C)n[nH]3)CC2)C1 19019906 DXYTZFUIPRHJMP-UHFFFAOYSA-N 438.572 3.902 0 40 IHAB CC(C)C(=O)N1CCC(c2nc([C@@H]3CCCN(CC4CCCCC4)C3)cc(=O)[nH]2)CC1 19085350 KZKZPFDBUJQBII-OAQYLSRUSA-N 428.621 3.892 0 40 IHAB Cc1cc2ccccc2n2c(=O)n(CCNC(=O)c3ccc(CN(C(C)C)C(C)C)o3)nc12 19127014 ONHPYYHNODWAAR-UHFFFAOYSA-N 449.555 3.599 0 40 IHAB Cn1c(CCC(=O)N2CCC[C@H](c3nc(-c4cccs4)cc(=O)[nH]3)C2)nc2ccccc21 19289908 UYJWLWSUWSWMGC-INIZCTEOSA-N 447.564 3.724 0 40 IHAB Cn1ccnc1-c1c(-c2ccc(F)cc2)cnn1CCNC(=O)[C@H]1OCCc2ccccc21 19291747 VDMWBENRIPZWBK-QHCPKHFHSA-N 445.498 3.520 0 40 IHAB CNC(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCCN(Cc2ccc(OC)cc2F)C1 19591280 HXOXEGQGJKXJPW-AREMUKBSSA-N 448.542 3.862 0 40 IHAB Cc1c(C(=O)N2CCO[C@@H](c3ccc(Cc4cccc(C(F)(F)F)c4)cn3)C2)cnn1C 19692353 OIJHMSRAXVPERH-OAQYLSRUSA-N 444.457 3.947 0 40 IHAB Cc1cc(C)nc(N2CC[C@@H](c3nc(C)c4c(n3)N(Cc3ccccc3)C(=O)CC4)C2)n1 19738897 VYFQBPHJNXZKCU-HXUWFJFHSA-N 428.540 3.665 0 40 IHAB COCCNC(=O)c1c(NC(=O)c2cc(-c3cccs3)on2)sc2c1CCCC2 21786006 UXOSLYHCMCIUSC-UHFFFAOYSA-N 431.539 3.972 0 40 IHAB CCOc1ccc2c(c1)c(=O)c(C(=O)N1CCN(c3cccc(Cl)c3)CC1)cn2C 22237320 RSKCQGYMGQQHCB-UHFFFAOYSA-N 425.916 3.553 0 40 IHAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1Cl 22539397 OQELIWVLYDFNKS-JKSUJKDBSA-N 438.977 3.818 0 40 IHAB COc1cccc(-c2nnc(SCC(=O)Nc3nc4ccc(OC)cc4s3)n2C)c1 23555023 NRPYBZPZNIUKRR-UHFFFAOYSA-N 441.538 3.840 0 40 IHAB COc1ccc(CN2CCN(C(=O)c3ccc(OCc4c(C)noc4C)cc3)CC2)cc1 24307286 GCJOIXUQZYZJMC-UHFFFAOYSA-N 435.524 3.837 0 40 IHAB NS(=O)(=O)c1ccc(CCNC(=O)c2sc3cccc(Cl)c3c2Cl)cc1 27756070 OPIAWOZBDDPCRR-UHFFFAOYSA-N 429.350 3.828 0 40 IHAB CCn1c(SCC(=O)NC(=O)Nc2ccc3c(c2)OCCCO3)nc2ccccc21 28069134 XLDNLOLGNONXCY-UHFFFAOYSA-N 426.498 3.658 0 40 IHAB CN1C(=O)COc2ccc(NC(=O)c3cc(-c4ccc(Br)cc4)on3)cc21 28403974 VMWCUTKZSRSJSX-UHFFFAOYSA-N 428.242 3.712 0 40 IHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 30943005 QQNUXTQVWXMPHE-INIZCTEOSA-N 446.931 3.995 0 40 IHAB CC(=O)NCc1ccc(-c2csc(NC(=O)c3cncn3-c3ccc(F)cc3)n2)o1 32837359 RXDWZKPWKMNVMQ-UHFFFAOYSA-N 425.445 3.616 0 40 IHAB Cc1nc(-c2cc(C(=O)N3CCN(CCOc4ccc(Cl)cc4)CC3)n(C)c2)cs1 32842923 ZSNORYDDUXSGBW-UHFFFAOYSA-N 444.988 3.947 0 40 IHAB C[C@@H](NC(=O)Cn1ncc2ccccc2c1=O)c1cccc(NC(=O)c2ccccc2)c1 32925187 HYLBYTIDAZNFJZ-QGZVFWFLSA-N 426.476 3.526 0 40 IHAB O=S(=O)(c1cccn2c(SCc3c(F)cccc3Cl)nnc12)N1CCCC1 33300324 PWCNZVQFFYGGOK-UHFFFAOYSA-N 426.926 3.599 0 40 IHAB CN1C(=O)[C@@]2(Nc3ccccc3C(=O)N2C[C@H](c2ccccc2)N(C)C)c2ccccc21 36353971 ZUMVUJUNFASJBG-ZEQKJWHPSA-N 426.520 3.687 0 40 IHAB COc1c(C(=O)N(C)C)cn(C)c1-c1nc2cc(NC(=O)c3ccccc3)ccc2n1C 36369932 WEXNPWLELKGIMA-UHFFFAOYSA-N 431.496 3.542 0 40 IHAB biogenic COc1ccc(C(=O)N2CCc3ccccc3C2)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 36646691 PFNXMUMYLJYQIC-QZTJIDSGSA-N 442.581 3.560 0 40 IHAB COc1ccc(CCC2CCN(Cn3ncc4cn(-c5ccccc5)nc4c3=O)CC2)cc1 40149268 IIOJAFFMSMORLV-UHFFFAOYSA-N 443.551 3.893 0 40 IHAB COC(=O)c1ccc(N2CCOCC2)c(NC(=O)COc2ccc(C(C)(C)C)cc2)c1 40717467 FDTYLKYSMRGDDF-UHFFFAOYSA-N 426.513 3.625 0 40 IHAB CC(C)Cn1cnc2nc(COc3ccccc3NC(=O)c3ccc(F)cc3)cc(=O)n21 41076907 XRQRTDALZBBBRG-UHFFFAOYSA-N 435.459 3.517 0 40 IHAB CSc1cccc(NC(=O)Cn2c(=O)n(CCc3ccccc3)c(=O)c3ccccc32)c1 44839588 UWXLWVUYCYJZJH-UHFFFAOYSA-N 445.544 3.767 0 40 IHAB Cc1nc(NC(=O)Cc2csc(Nc3ccc(Cl)cn3)n2)sc1C(=O)N(C)C 49029715 OEGXKFQHSOCNAW-UHFFFAOYSA-N 436.950 3.583 0 40 IHAB CCOc1ccc(-c2cc(C(=O)N3CCC(NC(=O)c4ccccc4F)CC3)[nH]n2)cc1 49406686 HEWQLEOVIVCCPH-UHFFFAOYSA-N 436.487 3.649 0 40 IHAB COc1ccc(OCc2nc(C)cc(=O)n2CC(=O)Nc2cc(Cl)ccc2C)cc1 51319376 KWHJIPHJGGFCQE-UHFFFAOYSA-N 427.888 3.740 0 40 IHAB CC(C)CCn1c(=O)c2sccc2n(CC(=O)Nc2ccccc2C(F)(F)F)c1=O 57426619 FQEYKHJCDQURML-UHFFFAOYSA-N 439.459 3.928 0 40 IHAB C[C@@H](C(=O)Nc1cccc(NC(=O)N(Cc2cccnc2)C[C@@H]2CCCO2)c1)n1cccn1 65565651 ZHZFTHXALJFIGR-AVRDEDQJSA-N 448.527 3.691 0 40 IHAB C[C@@H]1CN(C(=O)C2=Cc3ccccc3OC2)CC[C@@H]1n1nc(-c2cccs2)ccc1=O 72335397 XTKXZIGYEUBSLS-UZLBHIALSA-N 433.533 3.857 0 40 IHAB COc1cc2c(cc1OC)[C@H]1c3ccccc3N(CC(=O)N3CCC(C)CC3)C(=O)N1CC2 72342045 KNWOICDQWKWAAZ-RUZDIDTESA-N 449.551 3.850 0 40 IHAB Cc1cc(Cc2ccccc2)cc([C@H]2CCN(C(=O)c3ccc4c(c3)n(C)c(=O)n4C)C2)n1 72374782 DSVOWUDTVWSZPG-QFIPXVFZSA-N 440.547 3.801 0 40 IHAB O=C1CCc2cc(S(=O)(=O)N3CCc4nc(-c5ccc(F)cc5)sc4C3)ccc2N1 72392017 CFCCQRZCNKTUGY-UHFFFAOYSA-N 443.525 3.581 0 40 IHAB CC(C)c1n[nH]c(=S)n1CCNC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 89936830 QPXIEUFJBJLBID-ZIAGYGMSSA-N 436.557 3.638 0 40 IHAB CCOC(=O)[C@@]1(C)Oc2cc(NC(=O)c3cc(SC)ccc3Cl)ccc2NC1=O 96182238 FNMJAVSWIISFRY-FQEVSTJZSA-N 434.901 3.967 0 40 IHAB Cc1cccc(CN(Cc2ccccn2)C(=O)CNC(=O)c2ccc(Br)o2)c1 97002649 NFFXADJSKDKEPC-UHFFFAOYSA-N 442.313 3.704 0 40 IHAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Cl)cc1)N1CCCN1[C@H]2c1ccc(Br)cc1 100165907 GFGPRNILPLHTFB-BZSNNMDCSA-N 446.732 3.638 0 40 IHAB CCOc1ccc(NC(=O)[C@H](C)N(c2cc(Cl)ccc2OC)S(C)(=O)=O)cc1 113940571 PYNTXIDLEQAREP-ZDUSSCGKSA-N 426.922 3.541 0 40 IHAB Cc1cc(C)cc(N([C@@H](C)C(=O)NCCOc2ccc3ccccc3c2)S(C)(=O)=O)c1 223600176 UJOAVBSBFBSMGV-IBGZPJMESA-N 440.565 3.806 0 40 IHAB CN(c1ccccc1F)S(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)OCO3)c1 224154607 FGIXFWPXBZOZIP-UHFFFAOYSA-N 428.441 3.632 0 40 IHAB CCOC(=O)c1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)c1C 225520806 LESWHPRRDMBPOB-SFHVURJKSA-N 444.553 3.520 0 40 IHAB CCCn1c(=O)sc2cc(S(=O)(=O)Nc3nnc(SCC(C)C)s3)ccc21 225736583 MDMQLAUOZIYTSI-UHFFFAOYSA-N 444.629 3.873 0 40 IHAB CCS(=O)(=O)N(C)c1ccc(C(=O)NCCNc2ccnc3cc(Cl)ccc23)cc1 225965171 UIQLBSHNRIFLPN-UHFFFAOYSA-N 446.960 3.516 0 40 IHAB COc1cc(N)cc(Br)c1NS(=O)(=O)c1ccc(Br)cc1 227146622 BALVAZHWMCBAPT-UHFFFAOYSA-N 436.125 3.603 0 40 IHAB O=C(NC1CCCC1)[C@@H]1N(CCc2ccccc2)C(=O)[C@H]2[C@H](c3ccccc3)[C@H]3C=C[C@]21O3 245227809 VXXBXHDZSRRRIA-KCFWYOCNSA-N 442.559 3.606 0 40 IHAB O=C1CCCN1CCNC(=O)C1(Cc2cccc(-c3ccc(F)c(F)c3)c2)CCOCC1 257229373 FXWATIHSDWFNML-UHFFFAOYSA-N 442.506 3.710 0 40 IHAB CCn1nc2c(c1C(=O)N1CCNC(=O)[C@@H]1Cc1ccc(-c3cccs3)cc1)CCCC2 257332083 XVRFIITUSXTMLN-NRFANRHFSA-N 448.592 3.694 0 40 IHAB CCOc1cc(C(=S)NCCN2CCOCC2)cc(Cl)c1OCc1ccccc1 408573801 KPSOKDHDQCIKBC-UHFFFAOYSA-N 434.989 3.915 0 40 IHAB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2CCCC[C@H]2C1=O)c1cccs1 408659539 VXRWTSUZXCGPBD-OKILXGFUSA-N 430.913 3.817 0 40 IHAB CCc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)cc1 408669529 WKGVOBYDMCYCKM-SFTDATJTSA-N 432.476 3.500 0 40 IHAB CC(C)CNS(=O)(=O)c1ccc(CCC(=O)Nc2ccccc2Br)cc1 409173749 RDQMWUXYTQCYGO-UHFFFAOYSA-N 439.375 3.955 0 40 IHAB O=C([C@H]1CNCCO1)N1CCC(c2cccc(Nc3ncc(-c4ccccc4)s3)n2)CC1 585263260 SPJNNKBUINXOBE-HXUWFJFHSA-N 449.580 3.643 0 40 IHAB O=C(Cc1ccccc1)N1CCO[C@@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 607855305 IVJNSFKAUUSVGF-JOCHJYFZSA-N 425.916 3.827 0 40 IHAB CC[C@H](C)[C@@H]1NC(=O)C2(CCCCOCCCNC1=O)CCN(C1CCCCC1)CC2 643581731 VSABMUNBDSSURY-UNMCSNQZSA-N 435.653 3.639 0 40 IHAB C[C@@]1(c2ccccc2)CN(C(=O)N[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CCO1 1565195554 CAGJLDHBFKWYKP-UGKGYDQZSA-N 447.457 3.768 0 40 IHAB CCc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)Cc3nnnn3C3CCCC3)cc2c1 925905 GRYITWOMIYUFEZ-UHFFFAOYSA-N 443.555 3.790 0 40 IHAB O=C(CS(=O)(=O)Cc1ccccc1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 1428344 DLVYQVZZGUDOIL-UHFFFAOYSA-N 426.469 3.632 0 40 IHAB Cc1coc2c(C)c3oc(=O)c(CC(=O)N[C@@H](Cc4ccccc4)C(=O)O)c(C)c3cc12 2102225 DQIWYYPJKGGUIL-FQEVSTJZSA-N 433.460 3.819 0 40 IHAB biogenic CCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2cccc(OC)c2OC)C1=O 2104084 CITJSBWKZIMZQM-RDPSFJRHSA-N 447.535 3.670 0 40 IHAB biogenic CC[C@@]1(C)Cc2c(sc3nc(SCC(=O)O)n(-c4ccc(OC)cc4)c(=O)c23)CO1 2298725 PRJMNXSABLIGST-NRFANRHFSA-N 446.550 3.874 0 40 IHAB O=C1c2ccccc2S(=O)(=O)N1Cc1nc(-c2ccc(Br)s2)cs1 2649214 LKQANBINDUMPNB-UHFFFAOYSA-N 441.353 3.979 0 40 IHAB COc1cc(/C=C2/N=C(c3ccc(F)cc3)OC2=O)cc(Br)c1OC(C)=O 2737729 HULJIUNLDXOOIC-OVCLIPMQSA-N 434.217 3.867 0 40 IHAB C[C@@H]1CCc2c(sc(NC(=O)c3ccn(COc4ccccc4F)n3)c2C(N)=O)C1 2798067 JYGXFUCAFDMREA-GFCCVEGCSA-N 428.489 3.596 0 40 IHAB COC[C@@H](C)n1c(COc2ccccc2F)nnc1SCC(=O)N(C)c1ccccc1 3303710 PDJVTFVUOBTRGL-MRXNPFEDSA-N 444.532 3.959 0 40 IHAB O=C(CSc1nnc(COc2ccc(Cl)cc2)n1Cc1ccco1)N1CCCC1 3370947 IQVZMOLUCRTQME-UHFFFAOYSA-N 432.933 3.866 0 40 IHAB COc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)c2c(-c4ccc(OC)cc4)ccc(=O)n2C3)cc1 4237355 FVRZEGZRIXIKCM-FXAWDEMLSA-N 430.504 3.792 0 40 IHAB biogenic,in-vitro COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)N2CC(C)C)cc1 4738769 NIRPXNYMEDFVSZ-FQEVSTJZSA-N 425.485 3.526 0 40 IHAB COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(C)(C)C)cc3)c(=O)n2[C@H]1c1ccccc1 6237793 FQKKRMLEYKXHRJ-QDUHJBTASA-N 446.572 3.706 0 40 IHAB CC[C@@H]1CCCCN1C(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1CCCN(C)C 8132740 ZCHTUOKCIUXQGL-ZWKOTPCHSA-N 430.618 3.620 0 40 IHAB CN(C)c1ccc(C(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3c2cc(-c3cccs3)nn2C)cc1 8635425 ASIGHVLQRSMXML-TYPHKJRUSA-N 449.624 3.822 0 40 IHAB biogenic,in-vitro CCOC(=O)CN(c1cc(OC)c(Cl)cc1Cl)S(=O)(=O)c1ccc(F)cc1 8888117 BMRWOVBUNDJBEK-UHFFFAOYSA-N 436.288 3.900 0 40 IHAB C[C@H](OC(=O)c1cccc(OCc2ccccc2)c1)C(=O)NCc1ccc2c(c1)OCO2 9031701 ZNYFIVBKLHBDGY-KRWDZBQOSA-N 433.460 3.856 0 40 IHAB COc1ccc([C@H](NC(=O)Cn2cnc3ccc(Cl)cc3c2=O)c2ccccc2)cc1 9254218 UOYLGVZNLQGPST-HSZRJFAPSA-N 433.895 3.964 0 40 IHAB CC(=O)c1sc(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)nc1C 9367536 GSSBGEPJBVKLJJ-STQMWFEESA-N 435.571 3.573 0 40 IHAB CS(=O)(=O)Nc1ccc(C2=NN(C(=O)c3ccc(F)cc3)[C@@H](c3ccco3)C2)cc1 9410915 AJOIFOSANPRCTO-LJQANCHMSA-N 427.457 3.782 0 40 IHAB O=C(CCN1C(=O)S/C(=C/C=C/c2ccccc2)C1=O)Nc1ccc(O)c(C(=O)O)c1 9429152 XQGBHWDWVJQTFZ-FLGOTCTISA-N 438.461 3.712 0 40 IHAB O=C(Nc1ccc(-c2nccs2)cc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 9465308 SFZGQHXAPKVPAD-SFHVURJKSA-N 431.514 3.741 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)COc2ccccc2C(C)C)c1 9631886 ALOMTIUAFDKQKA-UHFFFAOYSA-N 434.558 3.867 0 40 IHAB COc1ccc([C@@H]2CCCN2CC(=O)Nc2cc(Cl)ccc2-n2cncn2)c(OC)c1 9728513 SSQYMAUMHYUSFA-IBGZPJMESA-N 441.919 3.714 0 40 IHAB CCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ccc21 12180477 XLRCMJVVDJXOGX-UHFFFAOYSA-N 436.599 3.887 0 40 IHAB C[C@H](O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)Cc3cccs3)cc2)cc1 12548683 QIPKUNNSQKRPEX-HNNXBMFYSA-N 430.551 3.874 0 40 IHAB COc1cc(CSc2ccc(S(=O)(=O)N3CCCC3)cn2)ccc1OC(F)F 12636299 NQLPRPOTTXMIBA-UHFFFAOYSA-N 430.498 3.768 0 40 IHAB Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)NC[C@@H](c1ccccc1Cl)N(C)C 12736066 SFZPRYZPAAEVSE-FQEVSTJZSA-N 427.980 3.899 0 40 IHAB CCc1cccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@@H]2CCS(=O)(=O)C2)c1 12789955 IBSQUJOMYTYRSE-GOSISDBHSA-N 438.553 3.791 0 40 IHAB CCc1ccc(-c2csc(NC(=O)c3ccc4c(c3)CCN4S(C)(=O)=O)n2)cc1 12882942 OHLPMTGLXVKIKL-UHFFFAOYSA-N 427.551 3.947 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](c2ccccc2)c2cccs2)cc1C 13004223 QYOKBMUXURTTDB-JOCHJYFZSA-N 428.579 3.891 0 40 IHAB COc1ccc(N(CC(=O)NC2CCCCC2)C(=O)c2ccc(N3CCCC3)nc2)cc1 13511549 XDLLCCIIPRGZNO-UHFFFAOYSA-N 436.556 3.786 0 40 IHAB COc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=S)NC[C@H]3CCCO3)cc2c1 13570720 YCWOQAZXZGKRAG-OAQYLSRUSA-N 437.565 3.592 0 40 IHAB COc1ccc(C(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)cc1S(=O)(=O)N(C)C 14496782 BQXQTGRPDFRGNU-UHFFFAOYSA-N 445.566 3.938 0 40 IHAB CSCCCn1c(=O)[nH]c(=O)c2c(N)c(C(=O)c3ccc(C(C)(C)C)cc3)sc21 16050963 HKNJLZQASBPWNX-UHFFFAOYSA-N 431.583 3.615 0 40 IHAB Cc1ccc(-c2cccc(C[C@@]3(C(=O)N(C)C)CCN(C(=O)CCn4cccn4)C3)c2)cc1 19212530 JULQJSPKECMKQL-MHZLTWQESA-N 444.579 3.798 0 40 IHAB COc1cc(OC)c(C2=NO[C@@H](C(=O)N3CCCCC[C@@H]3c3ccn(C)n3)C2)cc1Cl 19291010 DPGJXYJAMDVHSP-WIYYLYMNSA-N 446.935 3.728 0 40 IHAB O=C([C@H]1CC=CCC1)N1CCC(c2cc3nc4c(c(O)n3n2)CN(C2CCCC2)CC4)CC1 19292139 DDNVJNOCWXHDLT-IBGZPJMESA-N 449.599 3.798 0 40 IHAB O=C(N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccccc2-n2cccn2)C1)[C@@H]1CCCO1 19348949 XFLDUEHBXKIJLB-ZODMCCGTSA-N 445.567 3.516 0 40 IHAB O=C(c1ccccn1)N1CC[C@H]2[C@@H](C1)[C@H](c1ccc(F)cc1)CN2C(=O)c1ccccc1 19368977 RNAJEJKRRQISDH-FIXSFTCYSA-N 429.495 3.991 0 40 IHAB COc1ccc(OC)c(NC(=O)c2cc(C3CCN(C(=O)C4CCCC4)CC3)no2)c1 19551815 UEMNWPRAPTVPGS-UHFFFAOYSA-N 427.501 3.840 0 40 IHAB CNC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CCN(C(=O)Cc2ccc(F)cc2)C1 19591470 IBSYBEIPNQTDQH-AREMUKBSSA-N 431.511 3.638 0 40 IHAB C[C@H]1CCc2c(sc(NC(=O)c3ccccc3I)c2C(N)=O)C1 19631192 NYGRXEFWXZDXHK-VIFPVBQESA-N 440.306 3.829 0 40 IHAB CNc1nc([C@@H]2CCCN2C(=O)C2(c3ccccc3F)CCCC2)nc2c1CCN(C)C2 19707393 VJFYVJHSTINLCB-NRFANRHFSA-N 437.563 3.821 0 40 IHAB CNc1cc(CN(C)C(C)=O)nc([C@@H]2CCCN(C(=O)C3(c4ccccc4)CCCC3)C2)n1 19709767 UBTCJEMNGWLWBW-HXUWFJFHSA-N 449.599 3.715 0 40 IHAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C)cc2)cc1C(=O)N1CCCCCC1 20452425 VQBXCSOTONFHMA-UHFFFAOYSA-N 430.570 3.841 0 40 IHAB CCN(Cc1cccs1)C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 21904148 RQEWSPJVAGTBSX-UHFFFAOYSA-N 426.991 3.851 0 40 IHAB COc1ccc([C@H](CNCC(=O)Nc2ccccc2-c2ccccc2)N2CCOCC2)cc1 22038440 GSBINIZEDSGDPP-SANMLTNESA-N 445.563 3.964 0 40 IHAB CC(C)(C)C(=O)Nc1ccc(C(=O)Cn2nnc(-c3ccc(Br)cc3)n2)cc1 23074459 SGBRUXXJBATYAB-UHFFFAOYSA-N 442.317 3.970 0 40 IHAB CCOC(=O)c1csc(NC(=O)[C@H]2CCCN(c3ccc(-c4ccccc4)nn3)C2)n1 23142612 GBVAGEYSMVXWBU-INIZCTEOSA-N 437.525 3.632 0 40 IHAB COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2CN2CCCCC2)c1 27963107 RVJAMJSQUQVIBZ-UHFFFAOYSA-N 436.961 3.591 0 40 IHAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)cc1 28209525 TWHREIUUWAYHNO-MRXNPFEDSA-N 427.309 3.620 0 40 IHAB CCN(c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1)C(C)C 30637824 LRLOQLDLUGCFOR-UHFFFAOYSA-N 445.585 3.503 0 40 IHAB CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)Nc3ccc(Cl)cc3F)cc(C3CC3)nc21 32059788 BVZFAEDJRBVEDM-UHFFFAOYSA-N 430.867 3.663 0 40 IHAB COc1ccc(C2=NN(C(=O)c3cccc(Br)c3)[C@](O)(C(F)(F)F)C2)cc1 32100961 WERWOAJCVPZMSS-QGZVFWFLSA-N 443.219 3.959 0 40 IHAB CCOC(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2C)c(Br)c1 32770649 QIMYPTZYPJCTRU-ZDUSSCGKSA-N 426.332 3.974 0 40 IHAB COc1ccc([C@H](CC(=O)OC(C)C)NC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)cc1 32820933 GMLPPBKBHMIDMC-KSSFIOAISA-N 442.537 3.941 0 40 IHAB COC(=O)/C=C/c1ccc(OCc2cc3c(cc2Br)OCCO3)c(OC)c1 32905370 PNALONDTKMAKFG-GQCTYLIASA-N 435.270 3.994 0 40 IHAB CC(=O)Nc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)cc1 33787310 XVOPXQSWIZHYBH-IUXPMGMMSA-N 431.420 3.598 0 40 IHAB CCN(CC(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Br)cc1 39985180 CQXZDWIIZHECPH-UHFFFAOYSA-N 425.348 3.715 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(OC)c(OCc3cn4ccccc4n3)c2)cc1 40152650 GKTYGHQUZXIDNS-UHFFFAOYSA-N 439.493 3.731 0 40 IHAB O=C(CN1CCN(c2ccccc2Cl)CC1)Nc1ccccc1C(=O)NC1CCCC1 58159113 KQVCQIJDYLGKRL-UHFFFAOYSA-N 440.975 3.773 0 40 IHAB CCN1CCc2nc(-c3ccccc3)n(CC(=O)Nc3ccc(F)c(Cl)c3)c(=O)c2C1 62007140 GTCOMEFPMGXLSP-UHFFFAOYSA-N 440.906 3.720 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)CSc1nc2cc(C)[nH]c2c(=O)n1[C@H](C)CC 67238872 YOHOAOVVBGWAGX-CQSZACIVSA-N 442.541 3.912 0 40 IHAB CCN1CCN(C(=O)c2ccccn2)[C@H](Cc2ccc(-c3cccc(OC)c3)cc2)C1=O 72351459 LYZRLPOLBMNVEK-XMMPIXPASA-N 429.520 3.673 0 40 IHAB COCCNC(=O)c1sc2ccccc2c1[C@@H]1CCN(C(=O)c2cc(C3CC3)on2)C1 72352478 LLRVMQDMFDOKOZ-OAHLLOKOSA-N 439.537 3.773 0 40 IHAB O=C(NCCNc1ccccn1)c1cccc(-c2ccc(C[C@H]3CCCNC3=O)cc2)c1 72356309 GSWIKJAXZONKIC-JOCHJYFZSA-N 428.536 3.659 0 40 IHAB CCOC(=O)C1(Cc2cc(-c3ccc(F)cc3)no2)CCN(C(=O)c2ccncc2)CC1 72393992 ZDVPOFYISHMLHF-UHFFFAOYSA-N 437.471 3.904 0 40 IHAB O=C(COc1cc(Cl)ccc1Cl)N(c1ccc(F)cc1)[C@@H]1C=CS(=O)(=O)C1 84404968 QWVYJZWSKOTQMH-OAHLLOKOSA-N 430.284 3.855 0 40 IHAB COc1ccc(C(=O)N2CCC(C(=O)N3CCC[C@@H]4COCC[C@H]43)CC2)c2ccccc12 95410791 AWUULEBLJRQDCC-AUSIDOKSSA-N 436.552 3.728 0 40 IHAB O=C(O)CCNC(=O)c1ccc(NC(=O)c2nc(-c3ccccc3)n3c2CCCCC3)cc1 95989470 LKRJHPADJKZOBD-UHFFFAOYSA-N 446.507 3.733 0 40 IHAB COc1cccc(CN2Cc3ccccc3[C@]23CO[C@H](C(=O)N(C)Cc2ccccn2)C3)c1 96143957 YRLILHNLLBKCDK-BDYUSTAISA-N 443.547 3.749 0 40 IHAB C[C@@H]1CCCC[C@H]1NC(=O)c1ccc2nnc([C@@H]3CN(Cc4ccccc4)CCN3C)n2c1 96156645 RXADJCCUFLBSCN-PTUXOGIPSA-N 446.599 3.527 0 40 IHAB O=C(C[C@H]1CC2(CCN(S(=O)(=O)c3ccccc3)CC2)c2ccccc21)N1CCCC1 96242087 LHAULYYPAMFRGV-FQEVSTJZSA-N 438.593 3.909 0 40 IHAB CC(C)C(=O)N1CCc2c(nc3cc(C4CCN(CC5CCCCC5)CC4)nn3c2O)C1 100232729 VWOOIAYUQSESIQ-UHFFFAOYSA-N 439.604 3.735 0 40 IHAB COCCn1/c(=N/C(=O)c2ccc(Br)cc2)sc2cc(NC(C)=O)ccc21 100873059 VPTPUAQCTSSAQH-QOCHGBHMSA-N 448.342 3.811 0 40 IHAB Cc1ccc(NC(=O)[C@@H]2[C@H]3NC(=O)N[C@@]2(C)Oc2ccc(Br)cc23)c(C)c1 101353186 GGSBWXAQPNQDLX-ZWOKBUDYSA-N 430.302 3.783 0 40 IHAB O=C(NCCCc1ccc(F)cc1)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 218785733 HBDNXMSSEOYIBS-UHFFFAOYSA-N 446.588 3.549 0 40 IHAB CCCOc1ccccc1CCCNS(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1 219223938 TUIIDIGMBUQEHX-UHFFFAOYSA-N 430.570 3.822 0 40 IHAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(F)cc1 222555460 ZAGRCCVICBZGTF-VGSWGCGISA-N 430.520 3.935 0 40 IHAB COc1ccccc1N(CCCC(=O)Nc1cccc(C(F)(F)F)c1)S(C)(=O)=O 222577421 CYTKNNWMXJUJEV-UHFFFAOYSA-N 430.448 3.899 0 40 IHAB CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(Br)cc1 223092023 LAXYWTHLIGGEJP-IBGZPJMESA-N 433.346 3.690 0 40 IHAB Cc1cccc(OCCNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c1C 223912880 UQXPHJFPLKMLOB-UHFFFAOYSA-N 445.368 3.571 0 40 IHAB Cc1cc(C)cc(N(CCCC(=O)NCCOc2ccc(C)c(C)c2)S(C)(=O)=O)c1 224656805 HIJDVBVEWLVYDY-UHFFFAOYSA-N 432.586 3.662 0 40 IHAB Cc1cccc(OCCNC(=O)CCCN(c2cccc(Cl)c2C)S(C)(=O)=O)c1 224773601 VYOYWQQCZAPOIG-UHFFFAOYSA-N 438.977 3.698 0 40 IHAB CCCn1c(=O)sc2cc(S(=O)(=O)N[C@H](C)COc3ccc(C)c(C)c3)ccc21 225735291 KLNDPEYBTKHSRU-MRXNPFEDSA-N 434.583 3.836 0 40 IHAB CN(Cc1ccccc1F)C(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1 226008174 ULVBKWNOUQKHPI-UHFFFAOYSA-N 436.524 3.947 0 40 IHAB FC(F)(F)c1cccnc1N1CCN(C2CCN(CCOc3ccccc3)CC2)CC1 240104283 UOLZHKIQLXTAIJ-UHFFFAOYSA-N 434.506 3.766 0 40 IHAB C[C@H](NC(=O)[C@@H]1C[C@H]2CC[C@H]1C[C@]21NC(=O)c2ccccc2O1)c1ccc2c(c1)OCCO2 248278010 ZMVIGPBFQIFGMS-ITVMNXQLSA-N 448.519 3.590 0 40 IHAB Cc1nccn1-c1cccc([C@@H]2CCCN2C(=O)COc2ccc(CN3CCCC3)cc2)n1 257249123 JGXAEOZRKXBTBA-DEOSSOPVSA-N 445.567 3.914 0 40 IHAB COc1ccc(OC)c(C(=O)N2CCNC(=O)[C@H]2Cc2ccccc2-c2ccc(F)cc2)c1 257330459 XONPVXKYNZWHCZ-HSZRJFAPSA-N 448.494 3.693 0 40 IHAB Cn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1cc(Br)ccc1O 408542199 IBIPLFKKBGUPLC-UHFFFAOYSA-N 437.294 3.820 0 40 IHAB C[C@H](CCc1ccccc1)NC(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 408618387 FZCZFXQRVHXLGL-CQSZACIVSA-N 429.369 3.897 0 40 IHAB C[C@@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408661594 XKXWWPZFBSSDFK-DZOXSVECSA-N 448.906 3.776 0 40 IHAB CCC[C@@H](C)NC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 409266971 ZJZZHYIENFMPLF-OAHLLOKOSA-N 439.375 3.949 0 40 IHAB Cc1cc(S(=O)(=O)N(Cc2ccco2)Cc2ccccc2Cl)ccc1-n1cnnn1 934150 YDLHDYNJJFAMSV-UHFFFAOYSA-N 443.916 3.608 0 40 IHAB CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(OC)c(OC)c2)sc2c1CCCC2 954954 SYTSGNKLEUVBEA-UHFFFAOYSA-N 447.509 3.616 0 40 IHAB O=C(NC1CCCC1)[C@@H](c1ccncc1)N(C(=O)c1csnn1)c1cccc(F)c1 1378401 ZVMOBDGDVKEFPN-LJQANCHMSA-N 425.489 3.519 0 40 IHAB O=C(Nc1ccc(N2CCOCC2)cc1)c1oc2ccccc2c1CSc1ncn[nH]1 3404544 XCNQNEJYCIETMO-UHFFFAOYSA-N 435.509 3.932 0 40 IHAB Cn1cccc1Cc1nnc(SCC(=O)Nc2nccs2)n1CCc1ccccc1 6530833 NMPTZNITOHQWRJ-UHFFFAOYSA-N 438.582 3.637 0 40 IHAB CC(C)OC(=O)c1cc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)cc(C(=O)OC(C)C)c1 8454428 FJKZTTSZCFHTJP-WXRFYESLSA-N 431.485 3.502 0 40 IHAB O=C(CCCSc1nnc(N2CCOCC2)n1-c1cccc(F)c1)c1ccccc1 8720569 BJQPBAJTPLKPLO-UHFFFAOYSA-N 426.517 3.998 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CCC(C)C)cc1OC 8840915 KNSSNIITXHSXID-UHFFFAOYSA-N 432.542 3.830 0 40 IHAB COc1ccc(CN(C)C(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 8855799 WSDSXZOQBURJJE-UHFFFAOYSA-N 444.597 3.851 0 40 IHAB Cc1nc(-c2ccc(Cl)cc2)nc2sc3c(=O)n(CCN4CCCCC4)nnc3c12 8992009 IZBURGDWAKHUHW-UHFFFAOYSA-N 440.960 3.911 0 40 IHAB COc1ccc(N2C[C@H](C(=O)NC(c3ccccc3)c3ccccc3)CC2=O)c(OC)c1 9196982 SIIIEYVKRZYEFK-HXUWFJFHSA-N 430.504 3.963 0 40 IHAB O=C([C@H](Sc1ccccc1)c1ccccc1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 9349454 IJIQSPAJJGAWKG-KCZVDYSFSA-N 445.606 3.715 0 40 IHAB CS(=O)(=O)N1CCCc2cc(C(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)ccc21 9495870 DAOJCLZLMMOEAN-UHFFFAOYSA-N 428.510 3.693 0 40 IHAB COc1ccc(N2C[C@@H](NC(=O)NC(c3ccccc3)c3ccccc3)CC2=O)cc1OC 9568830 DPOGODRNJYNOIH-FQEVSTJZSA-N 445.519 3.898 0 40 IHAB O=C(Nc1cccnc1)c1cn(Cc2ccc(F)cc2)cc2c(=O)n(-c3ccccc3)nc1-2 9574172 YVADDPTWWZUDRP-UHFFFAOYSA-N 439.450 3.974 0 40 IHAB COc1ccc(-c2cc(NC(=O)CCN3C(=O)NC4(CCCC4)C3=O)ccc2OC)cc1 9584242 PBMLMGNIWBCWQC-UHFFFAOYSA-N 437.496 3.564 0 40 IHAB COC(=O)c1sc(-c2ccccc2)cc1NC(=O)CS(=O)(=O)c1ccc(C)cc1 9629668 WDHDRYWWWUPZRG-UHFFFAOYSA-N 429.519 3.923 0 40 IHAB C[C@@H](OC(=O)CCc1nc2ccccc2s1)C(=O)Nc1ccc(N2CCOCC2)cc1 9662248 HUJNDRFWWOZEEX-MRXNPFEDSA-N 439.537 3.636 0 40 IHAB NC(=O)Cc1ccc(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)s1 9666660 MFPNYBYEMFHTOB-UHFFFAOYSA-N 437.550 3.826 0 40 IHAB CCc1ccccc1NC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)CC1 9667482 GZVIVYGOBRCIFM-NRFANRHFSA-N 433.552 3.788 0 40 IHAB C[C@H](Sc1nnc([C@H](C)Oc2ccccc2F)o1)C(=O)NCc1ccc2c(c1)OCO2 9729681 TTWQVAVOMHZGOB-STQMWFEESA-N 445.472 3.874 0 40 IHAB COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)/C=C/c2c(C)noc2C)c1 9957327 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CCCCn1c(COC(=O)C23CC4CC(CC(C4)C2)C3)nc2cc(S(N)(=O)=O)ccc21 12627657 WVQXVZPTWXELHT-UHFFFAOYSA-N 445.585 3.743 0 40 IHAB CC(C)c1ccc(CN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)C2CC2)cc1 12735903 LFBRPOBOGHGXCV-VWLOTQADSA-N 437.515 3.907 0 40 IHAB CNC(=O)c1ccc(NC(=O)CCn2cnc3scc(-c4ccc(C)cc4)c3c2=O)cc1 12867584 KZJNRYCGJYVOHT-UHFFFAOYSA-N 446.532 3.822 0 40 IHAB Cc1cccc(CCN(C(=O)c2csnn2)[C@@H](C(=O)NC(C)(C)C)c2ccccn2)c1 12872776 ZDENRZDRPCTTOL-HXUWFJFHSA-N 437.569 3.582 0 40 IHAB Cc1cccc(C(=O)N[C@@H](C(=O)OCC(=O)N[C@@H](C)c2cc3ccccc3o2)C(C)C)c1 12892905 NMRBWQPJOCCSAI-GAJHUEQPSA-N 436.508 3.916 0 40 IHAB COc1ccc(-n2nnnc2SC[C@H](O)COc2ccc(Cl)cc2Cl)cc1 12976730 APKXLUTXUVKXAZ-CYBMUJFWSA-N 427.313 3.510 0 40 IHAB COc1ccccc1N1CCN([C@@H](c2ccccc2)c2nnnn2Cc2cccs2)CC1 13505240 YPOWYSWKLBPZOC-QHCPKHFHSA-N 446.580 3.703 0 40 IHAB Cc1ccc(C)c(NC(=O)CSC(=S)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c1 13572368 KACSQVBBBDLRDB-DLBZAZTESA-N 427.595 3.541 0 40 IHAB O=C(CSc1nnnn1-c1ccccc1Cl)NCCc1c[nH]c2ccc(Cl)cc12 13573944 MQAQSMLBPDBEOJ-UHFFFAOYSA-N 447.351 3.901 0 40 IHAB CCN(CC)CCn1c(NC(=O)Cn2nc(C(F)F)c3c2CCC3)nc2ccccc21 13640684 IFIQOQGPJTWLPD-UHFFFAOYSA-N 430.503 3.640 0 40 IHAB CCOC(=O)c1cccc(NC(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)c1C 13647359 AIGRBULVUSJBLS-KRWDZBQOSA-N 432.542 3.582 0 40 IHAB COc1ccc(-c2noc(CSc3nc4c(cnn4-c4ccc(C)cc4)c(=O)[nH]3)n2)cc1 14199101 VCFQEPRAXSMLTQ-UHFFFAOYSA-N 446.492 3.768 0 40 IHAB O=C(N[C@H]1CCSc2ccc(F)cc21)c1cccc(S(=O)(=O)N2CCCCC2)c1 15199046 ANZMTJWHFAJGFQ-IBGZPJMESA-N 434.558 3.967 0 40 IHAB C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)c(Cl)c2)C1=O 15858444 APOTUDUWIPTJOW-JTQLQIEISA-N 446.834 3.924 0 40 IHAB O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CC(=O)N(CCc1ccccc1)c1nc2ccccc2s1 18033749 FEOUEXFRUUPYKT-RTBURBONSA-N 445.544 3.823 0 40 IHAB CC(=O)N(C)C1CCC2(CC1)CN(C(=O)c1cc(C(C)(C)C)n[nH]1)Cc1ccccc1O2 19016327 LGZJZAYCIZWXHD-UHFFFAOYSA-N 438.572 3.902 0 40 IHAB Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)CCc2ccncc2)cc(N(C)C)n1 19240859 FAMLQQUFNUXRKK-JOCHJYFZSA-N 428.540 3.760 0 40 IHAB Fc1ccc([C@@H](c2nnnn2Cc2cccs2)N2CCN(C3CCCC3)CC2)cc1 19343833 KQLGOMMTFREDOH-NRFANRHFSA-N 426.565 3.572 0 40 IHAB CNC(=O)c1ccc(-c2ccc([C@@H]3CCCN3C(=O)c3ccc(COC)cc3)nc2)cn1 19688777 WKXVSJGVAYOIIU-QHCPKHFHSA-N 430.508 3.627 0 40 IHAB Cc1noc(C)c1CC(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccccc2F)CC1 19747101 AZZKREDQQRVREQ-HSZRJFAPSA-N 441.547 3.835 0 40 IHAB Cc1nc([C@@H]2CCN(C(=O)CCCc3ccccn3)C2)ncc1C(=O)Nc1ccccc1F 19757944 LCFFXVCCKJSILU-GOSISDBHSA-N 447.514 3.910 0 40 IHAB Cc1cccc(CCCNC(=O)[C@H]2CCCN(S(=O)(=O)Cc3cccc(Cl)c3)C2)c1 19866402 LPCVIEFRSGUOFZ-NRFANRHFSA-N 449.016 3.939 0 40 IHAB CCC(C)(C)n1nnnc1[C@@H](c1cccs1)N1CCN(c2cccc(OC)c2)CC1 20098363 IGRACPDHWGUHRX-HXUWFJFHSA-N 426.590 3.800 0 40 IHAB O=C(c1ccccc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)N1CCCCCC1 20460686 LNZQFHAPFMKFEW-UHFFFAOYSA-N 441.553 3.630 0 40 IHAB CCOc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3c(CC)cccc3CC)CC2=O)cc1 21094455 WNBSVAWJJYUECR-IBGZPJMESA-N 438.524 3.745 0 40 IHAB CCn1cc(C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)c(=O)c2cc(Cl)ccc21 22234980 DCCIOLJEVCKMDV-UHFFFAOYSA-N 442.855 3.500 0 40 IHAB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCCCC2)cc1C 22247386 UWHGIOUJNLHHDB-QFIPXVFZSA-N 444.597 3.686 0 40 IHAB Cc1ccc([C@H](CN2CCOCC2)NC(=O)c2cc(-c3ccco3)nc3onc(C)c23)cc1 22312276 HAIUHADKQAUSEF-NRFANRHFSA-N 446.507 3.903 0 40 IHAB COC(=O)c1c(NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)sc2c1CCCC2 22527426 FNFZCWXXNUCRPC-UHFFFAOYSA-N 448.566 3.650 0 40 IHAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CCn1cnc2sc(C)c(C)c2c1=O 23446362 TZQFKWRNSMSITM-UHFFFAOYSA-N 449.580 3.643 0 40 IHAB COC(=O)c1ccc(OC[C@H](O)COc2ccc(NC(=O)c3cccs3)cc2)cc1 27213832 MDKSQXYCIUJDAL-KRWDZBQOSA-N 427.478 3.606 0 40 IHAB COc1cc(OC)cc(C(=O)Oc2ccc(CCN3C(=O)c4ccccc4C3=O)cc2)c1 27563654 VKJMHJIQOGOMNR-UHFFFAOYSA-N 431.444 3.762 0 40 IHAB CN(CC(=O)NCc1ccco1)C(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F 29079756 CEJPPFLSJMRDJS-UHFFFAOYSA-N 440.809 3.526 0 40 IHAB CSCC[C@H](NC(=O)CCCn1cnc2ccccc2c1=O)c1nc2ccccc2[nH]1 30911527 STHSOSLLIVMYIU-FQEVSTJZSA-N 435.553 3.664 0 40 IHAB C[C@@H](NC(=O)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1Cl 31310216 NATWGBFEISTQBO-CQSZACIVSA-N 426.870 3.753 0 40 IHAB Cc1ccc(CNC(=O)N[C@H](CC(C)C)C(=O)N2CCN(c3cccc(C)c3)CC2)cc1 32907395 ZOYYOHKSJFSECX-XMMPIXPASA-N 436.600 3.866 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CSc2nc3ccccc3n3c(CC)nnc23)cc1 35426707 XPPDLJXOWNCOHL-UHFFFAOYSA-N 435.509 3.747 0 40 IHAB O=C1C[C@@H](C(=O)Nc2ccccc2)c2c(nc(Nc3ccc(Cl)cc3Cl)[nH]c2=O)N1 40399511 KMAUNAPCLZIODP-GFCCVEGCSA-N 444.278 3.885 0 40 IHAB Cc1ccccc1Oc1nccn2c(=O)n(CC(=O)Nc3ccccc3C(F)(F)F)nc12 49008631 GXKQDSZWVSWREC-UHFFFAOYSA-N 443.385 3.649 0 40 IHAB O=C(Cn1c(=O)n(Cc2cccc(Cl)c2)c(=O)c2ccccc21)Nc1ccccc1F 57472918 ODYIQTNLVDVLAP-UHFFFAOYSA-N 437.858 3.643 0 40 IHAB O=C(CCCC(=O)N1CCN(c2cccc(Cl)c2)CC1)Nc1nnc(C2CCC2)s1 61720939 STQJGNXQZQGTNR-UHFFFAOYSA-N 447.992 3.917 0 40 IHAB COc1cc(/C=C/C(=O)NCCO)cc(Br)c1OCc1ccccc1Cl 62715923 BZWZIFWDVKGCOH-VOTSOKGWSA-N 440.721 3.812 0 40 IHAB COc1ccccc1-n1c(O)nc2nc(NCc3ccccc3C(F)(F)F)ncc2c1=O 67263820 DJTHZDIYJPHJCU-UHFFFAOYSA-N 443.385 3.521 0 40 IHAB Cc1ccc(C)c(NC(=O)Cn2c(-c3ccc(Cl)cc3)nc(C)c(CCO)c2=O)c1 67300584 YJVVKZGGJCVSSX-UHFFFAOYSA-N 425.916 3.662 0 40 IHAB NC(=O)c1ccc(S(=O)(=O)NC2(c3cccc(Br)c3)CCCCC2)cc1 78967403 CENGWNJMZTZCRQ-UHFFFAOYSA-N 437.359 3.686 0 40 IHAB COc1ccc(N2C(=O)C[C@H](c3c(C)nn(-c4nc5ccccc5s4)c3O)C2=O)cc1 100068865 BNVLTVXSEJWVLD-OAHLLOKOSA-N 434.477 3.552 0 40 IHAB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H]4C=C[C@@H](CC4)[C@@H]3C(=O)O)c2C(N)=O)C1 102641351 WMSULPLDRZCYDX-HVCLXXKLSA-N 430.570 3.850 0 40 IHAB COc1cccc([C@@H]2[C@H]3C(=O)N(c4cccc(OC)c4)C(=O)[C@@H]3ON2c2ccccc2)c1 102706793 NWCVKNREMOYHHI-DNVJHFABSA-N 430.460 3.755 0 40 IHAB COC(=O)CN1C(=O)S/C(=C\c2ccc(OCc3ccc(F)cc3)c(OC)c2)C1=O 106751299 ODACJBPVETYYQX-ZDLGFXPLSA-N 431.441 3.623 0 40 IHAB C[C@@H]1Cc2ccccc2N1C(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 222717969 MOGHFXSKZUXUPT-GOSISDBHSA-N 448.544 3.795 0 40 IHAB CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccc(C)cc1 223079992 JHVHXLJOOQVLAX-INIZCTEOSA-N 433.346 3.690 0 40 IHAB CCCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)cc1 223833765 WJODDRCZPVHQPH-UHFFFAOYSA-N 425.890 3.884 0 40 IHAB CN(CCNC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2F)c1)c1ccccc1 224163159 QCOLKXVKRIVIKD-UHFFFAOYSA-N 441.528 3.517 0 40 IHAB COc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(F)cc3)c2)cc1OC 224167852 AGHPPIKAMRNKRD-UHFFFAOYSA-N 444.484 3.920 0 40 IHAB Cc1ccc(-c2nnc(NC(=O)c3cc(N(C)S(C)(=O)=O)ccc3Cl)s2)cc1 224572896 LOLWRJKSUQFVOO-UHFFFAOYSA-N 436.946 3.815 0 40 IHAB CC(C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc2c(c1)OCCO2 225572276 MWENGBPQHUKNBQ-KRWDZBQOSA-N 444.959 3.986 0 40 IHAB CC(C)N1CC[C@@H](CCc2ccc(NC(=O)C3CCN(S(C)(=O)=O)CC3)cc2)[C@@H](C)C1 248020036 UHZMWAUFEWHHNR-PZJWPPBQSA-N 449.661 3.596 0 40 IHAB CCc1cc2c(=O)c(-c3nc(C)cs3)coc2cc1O[C@H](C)C(=O)NCCCC(=O)O 256027768 ALRKVOINRHEHPI-CYBMUJFWSA-N 444.509 3.536 0 40 IHAB CNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)Cc2cccnc2)CC1 257255324 KHBAQYNEDMDSBC-UHFFFAOYSA-N 427.548 3.889 0 40 IHAB C[C@]1(O)CCN(CC(=O)Nc2ccccc2C(F)(F)F)C[C@@H]1Oc1cccc(F)c1 257267805 MIUHTTAFYIZTEW-ICSRJNTNSA-N 426.410 3.687 0 40 IHAB COc1cc2c(cc1CNc1cc(-c3c[nH]nc3[C@@H]3CCN(C(C)=O)C3)ccn1)CCC2 257319073 VQOOYZBMUGFICK-HXUWFJFHSA-N 431.540 3.917 0 40 IHAB COc1cccc(OC)c1C(=O)N1CCNC(=O)[C@H]1Cc1ccccc1-c1ccc(F)cc1 257325979 WVGMHVKCDSUWAS-OAQYLSRUSA-N 448.494 3.693 0 40 IHAB COc1ccc(F)cc1-c1ccc2nc([C@@H]3CCCN(C(=O)c4ccccn4)C3)nn2c1 306131152 JXVROTGRFRCMNR-QGZVFWFLSA-N 431.471 3.959 0 40 IHAB C[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N[C@H](C)CCc1ccccc1 408584366 OTNFZHDAKPFXCD-KGLIPLIRSA-N 429.369 3.798 0 40 IHAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N(CC)CC)c(Cl)c2)cc1 408627023 XKYRBSQVZNECGK-UHFFFAOYSA-N 440.949 3.787 0 40 IHAB O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)Nc1ccccc1Cl 409189460 GVTGEJJXJNBBHX-UHFFFAOYSA-N 430.913 3.836 0 40 IHAB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(OC)c(Br)c2)C1=O 409214341 SOULQMSAMBWTDB-WWNSAXIVSA-N 428.304 3.836 0 40 IHAB C[C@@H](NC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccccc1Cl)c1ccnc(O)c1 502223396 LWYHGWPGYXFSSO-QVKFZJNVSA-N 435.911 3.885 0 40 IHAB COc1cc([C@@H](CC(=O)NCc2cccc3[nH]ccc23)c2oc(C)cc(=O)c2O)ccc1O 524730478 KRMMQXPPACUVJQ-GOSISDBHSA-N 448.475 3.688 0 40 IHAB biogenic O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)NCCC(=O)Nc1cccnc1 589167469 ZZVZWEATZUNVRV-UHFFFAOYSA-N 443.482 3.761 0 40 IHAB O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)N[C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 680114303 OOXFHIVKHNGQML-GRTAZNFBSA-N 446.595 3.671 0 40 IHAB C=CC(=O)N1CCC(C(=O)N[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)(c2ccccc2)CC1 1634155458 HHTWSCQAZJKELO-FXAWDEMLSA-N 428.454 3.822 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N1[C@H]2CC[C@H]1CC(n1cc(C(C)(C)C)nn1)C2 1775975913 QGCKNRSKMMZYEK-GJZGRUSLSA-N 438.981 3.794 0 40 IHAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3cccc(Cl)c3)cc2)n1 673526 CUYCCFDJICRHGX-BJMVGYQFSA-N 428.901 3.891 0 40 IHAB CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1ccc(OC)cc1OC 908422 VAIFZHOCYRHNOP-UHFFFAOYSA-N 442.541 3.933 0 40 IHAB Cc1ccccc1NC(=O)CN1C(=O)C(C)(C)Oc2ccc(C(=O)NC3CCCC3)cc21 1342286 XKSPKTZJFLHTPA-UHFFFAOYSA-N 435.524 3.810 0 40 IHAB CC1=C(C(=O)Nc2cccnc2)[C@@H](c2cccc(OCc3ccccc3)c2)n2nnnc2N1 1465261 ZRCGNSAQZIKJCM-JOCHJYFZSA-N 439.479 3.575 0 40 IHAB Cc1c(O[C@@H](C)C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)ccc2c3c(c(=O)oc12)CCCC3 2109080 CUWCCCONWHQQCC-CUAXAMRHSA-N 439.552 3.901 0 40 IHAB Cc1c(Cl)cnc(NC(=O)COC(=O)C[C@H]2Sc3ccccc3NC2=O)c1Cl 3352084 NZQOIFKXZXGLLL-CYBMUJFWSA-N 440.308 3.682 0 40 IHAB O=C(COc1ncnc2scc(-c3ccc(F)cc3)c12)NC(=O)NCc1ccccc1 3409528 NBVCXALFZYFRFR-UHFFFAOYSA-N 436.468 3.902 0 40 IHAB COc1cc(C(=O)OCC(=O)N[C@H]2CCCC[C@@H]2C)ccc1OCc1c(C)noc1C 3418395 UUTUZYYWGDENPR-LIRRHRJNSA-N 430.501 3.731 0 40 IHAB Cc1ccc(-c2nc(COC(=O)[C@H]3Cc4ccccc4CN3S(C)(=O)=O)cs2)cc1 3435690 VFKUMDIWDWNXKE-HXUWFJFHSA-N 442.562 3.548 0 40 IHAB CCOc1ccc([C@H]2[C@@H](C(=O)OC(C)(C)C)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OC(C)(C)C)cc1 4112441 WBBRMPQIPUIEHF-AJGMTHFWSA-N 448.556 3.809 0 40 IHAB COc1cccc(NC(=S)N(CCCO)Cc2cc3cc(C)c(C)cc3[nH]c2=O)c1 4161960 KJAHGPBZWNXALM-UHFFFAOYSA-N 425.554 3.735 0 40 IHAB CCN(CC)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1cccc(OC)c1OC 4292053 XOEDFNHWLWTHFV-NRFANRHFSA-N 425.529 3.732 0 40 IHAB CCSc1ncc(Cl)c(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)n1 8612089 RFBFKJFZHKZQNE-UHFFFAOYSA-N 428.948 3.508 0 40 IHAB COc1ccc(S(=O)(=O)[C@H](CNC(=O)COc2ccc(F)cc2)c2cccs2)cc1 8768787 VOYJHCODKQNXJF-HXUWFJFHSA-N 449.525 3.606 0 40 IHAB CCc1ccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(Cc3cccc(C)c3)c(=O)n2C)cc1 9160861 NPVJKMNVKJITIT-GOSISDBHSA-N 443.551 3.604 0 40 IHAB O=C(Cn1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)c2ccccc21)N1CCOCC1 9264511 WSBBSLWWLHGAER-KGENOOAVSA-N 447.516 3.741 0 40 IHAB CC(C)=C(NC(=O)c1cccc(Br)c1)C(=O)NCCc1nc2ccccc2[nH]1 9282479 KIQCVTOATPFUBC-UHFFFAOYSA-N 441.329 3.708 0 40 IHAB O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc(S(=O)(=O)N2CCOCC2)cc1 9289324 RQSUOCZBYWLCDC-UHFFFAOYSA-N 436.489 3.859 0 40 IHAB CCOc1ccc(N(CC(=O)N2CCCCC2)S(=O)(=O)c2cc(C)ccc2OC)cc1 10300317 DUUAEYOLAMSNIQ-UHFFFAOYSA-N 446.569 3.610 0 40 IHAB CCOc1cccc2cc(C(=O)NCCOc3ccc(-c4ccc(F)cc4)nn3)c(=O)oc12 10509512 MNKIJYVFYXJWBG-UHFFFAOYSA-N 449.438 3.597 0 40 IHAB O=C(CCCc1nc2ccccc2s1)NCc1ccc(S(=O)(=O)N2CCCC2)s1 10775337 STRIOURMKQNCKU-UHFFFAOYSA-N 449.623 3.781 0 40 IHAB COC(=O)c1ccc([C@@H]2NC(=S)N(CC(C)C)C(C)=C2C(=O)Nc2cc(C)on2)cc1 11204049 OFYNTQGAZWBILL-IBGZPJMESA-N 442.541 3.570 0 40 IHAB Cc1ccc(C(=O)OCc2cn3cc(Cl)ccc3n2)cc1S(=O)(=O)N1CCCCC1 11335967 DPAJOBQDDCDPLS-UHFFFAOYSA-N 447.944 3.828 0 40 IHAB CCOC(=O)c1c(NC(=O)c2nn(-c3cccc(Cl)c3)ccc2=O)sc(C)c1C 12111353 QKXBTWOEQXPGJY-UHFFFAOYSA-N 431.901 3.993 0 40 IHAB CCCCNC(=O)CSc1[nH]c(-c2ccccc2)nc1S(=O)(=O)c1ccccc1 12112465 PTUZRNUXCDQKKD-UHFFFAOYSA-N 429.567 3.918 0 40 IHAB Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\NS(=O)(=O)c2ccccc2)cc1 12437647 GOYDXHZBCPFFIH-BZZOAKBMSA-N 433.489 3.788 0 40 IHAB CCCN([C@H](C)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc2oc(=O)ccc2c1 12756640 CWWDOYWGYCXUSN-CQSZACIVSA-N 448.928 3.874 0 40 IHAB CC(C)[C@H](NC(=O)CN1CCC(C(=O)Nc2ccccc2O)CC1)c1ccc(F)cc1 12774284 JCGTYRMVMSHUQH-QHCPKHFHSA-N 427.520 3.695 0 40 IHAB CCc1ccc([C@H](NC(=O)CN2CCN(C(=O)c3ccco3)CC2)c2cccc(F)c2)cc1 13114868 SRXLLFMIDNBXBK-VWLOTQADSA-N 449.526 3.645 0 40 IHAB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 13148114 AXOVCFKXLHLGIE-AWEZNQCLSA-N 435.307 3.776 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(Br)c(Cl)c2)cc1 13688640 SGJNFQQULSUACZ-UHFFFAOYSA-N 431.739 3.670 0 40 IHAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1ccc(OCc2c(C)noc2C)cc1 14119069 FJELXMTVEAGWRI-UHFFFAOYSA-N 446.507 3.698 0 40 IHAB O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 14790094 WXFWOGWQWYJUEJ-UHFFFAOYSA-N 426.460 3.810 0 40 IHAB CCCCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 14870019 PLXZJJCDTMTEME-UHFFFAOYSA-N 436.961 3.956 0 40 IHAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)OCc1cc(-c2ccco2)on1 16256935 BPLQBTRFHKTDSL-UHFFFAOYSA-N 435.362 3.684 0 40 IHAB NS(=O)(=O)c1ccc(CCNCc2ccc(OCc3ccccc3Cl)cc2)cc1 16449883 LGPNOQFIFAZAEN-UHFFFAOYSA-N 430.957 3.899 0 40 IHAB CCOC(=O)c1cccc(COC(=O)c2cccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)c2)c1 16687914 OPDLJMORBBLZFM-NHCUHLMSSA-N 435.476 3.900 0 40 IHAB Cc1nn(CC(C)C)c2sc(C(=O)O[C@H](C)C(=O)N3CC(=O)Nc4ccccc43)cc12 17107775 CKGBMRLMBSZSQP-CQSZACIVSA-N 440.525 3.593 0 40 IHAB COc1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(C)c(C)cc2O3)cc1OC 19125168 DEMQNPMNPGBYCA-NHCUHLMSSA-N 427.541 3.705 0 40 IHAB Cc1ccccc1-c1nc(S(=O)(=O)c2ccccc2)c(NCCCN2CCOCC2)o1 19312334 GGMGARHLMBRGDB-UHFFFAOYSA-N 441.553 3.617 0 40 IHAB CN(C)c1ncc(-c2ccc(F)cc2)c([C@H]2CCCCN2C(=O)c2n[nH]c3c2CCC3)n1 19694294 YNEUEXMJIHSJJG-HXUWFJFHSA-N 434.519 3.928 0 40 IHAB CN1CCc2nc([C@H]3CCCCN3C(=O)CCc3cccc(Cl)c3)nc(N(C)C)c2C1 19710271 ISTCTOVMWTZRFR-OAQYLSRUSA-N 442.007 3.870 0 40 IHAB COCCNC(=O)c1cc([C@H]2CCN(C(=O)c3cc4ccccc4o3)C2)nc2ccccc12 19756942 VJOFERLCQDVTFK-SFHVURJKSA-N 443.503 3.987 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1C 20006876 XPXQNNLRZPWTHH-NRFANRHFSA-N 438.549 3.840 0 40 IHAB CCN1c2ccccc2C(c2ccccc2)=C(C(=O)NCCc2ccccc2)S1(=O)=O 20063485 SXMOKYKDTXFHRZ-UHFFFAOYSA-N 432.545 3.975 0 40 IHAB COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1 20714870 KHTZXSJJPXANJV-FPOVZHCZSA-N 438.915 3.505 0 40 IHAB CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)OCc1nc(-c2ccccc2)no1 21279060 DACIOCSJQWTCMT-QGZVFWFLSA-N 445.928 3.985 0 40 IHAB O=C(NN=C1CCCCC1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 22001317 FHKNTOOZBVETBC-FQEVSTJZSA-N 433.961 3.666 0 40 IHAB Cc1ccc(OC[C@H](C)NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 22361927 VPSVQUPAEKDYLZ-AWEZNQCLSA-N 445.368 3.652 0 40 IHAB COc1ccc([C@@H](CC(C)C)NC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 22531659 UUPBOXWAVOLAND-HRAATJIYSA-N 436.549 3.892 0 40 IHAB COC(=O)c1cc(C(C)C)nc2c1c(-c1ccc(F)cc1)nn2[C@@H]1CCS(=O)(=O)C1 23136709 QAGDVFIBOVMLDW-OAHLLOKOSA-N 431.489 3.507 0 40 IHAB C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)N1CCN(C(=O)c2cccs2)CC1 24671884 JXZWGKVKFCOXTC-ZDUSSCGKSA-N 425.526 3.848 0 40 IHAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1 25670554 SYHCIXCRWLWSNS-UHFFFAOYSA-N 427.523 3.804 0 40 IHAB Cc1ccc([C@H](NC(=O)[C@@H](C)NS(=O)(=O)c2ccccc2F)c2cccs2)cc1 32819247 FPHLXIUSFHWRIX-QRWLVFNGSA-N 432.542 3.768 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1 32909876 QCCZSCRXXLLOAO-UHFFFAOYSA-N 430.505 3.571 0 40 IHAB CC(C)(C)[C@H](Cn1ccnc1)NC(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 48230984 FMFQWJKKKLXFBG-FQEVSTJZSA-N 447.605 3.684 0 40 IHAB C[C@@H]1CN(c2ccc(NC(=O)N(C[C@@H]3CCCO3)C[C@@H]3CCCO3)cc2F)C[C@@H](C)O1 48302289 WRIUSJGKZLKNKS-JYBIWHBTSA-N 435.540 3.631 0 40 IHAB O=C(NCc1ccnc(N2CCOCC2)c1)Nc1cccc(COc2cccc(F)c2)c1 48332530 LAHBWKIURRTWBB-UHFFFAOYSA-N 436.487 3.958 0 40 IHAB Cc1oc(-c2cccc(Cl)c2)nc1Cn1nnc(C(=O)Nc2cccc(F)c2)c1N 57511830 OUKGETPOWPRRLV-UHFFFAOYSA-N 426.839 3.917 0 40 IHAB O=C(NCc1ccc(F)cc1F)c1nnn(Cc2cccc(Cl)c2)c1-n1cccc1 64999420 BFWPRJVSXHIZCG-UHFFFAOYSA-N 427.842 3.979 0 40 IHAB O=C(C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1)N1CCN(Cc2cccnc2)CC1 71800161 PPYCSECTUFYNAB-RUZDIDTESA-N 425.536 3.733 0 40 IHAB CN1CCN(C(=O)C[C@@H]2CC3(CCN(C(=O)c4ccc(F)cc4)CC3)c3ccccc32)CC1 96242235 BKUHESVNTDOAGT-OAQYLSRUSA-N 449.570 3.651 0 40 IHAB Cc1noc(C)c1C(=O)NC[C@H]1CC[C@H]([C@H](NC(=O)C2CCC2)c2nccs2)CC1 100223470 HMQJJKWCMHFEMQ-FCEWJHQRSA-N 430.574 3.942 0 40 IHAB COCC(=O)NC[C@H]1CC[C@H](c2cc(C(=O)Nc3nccs3)c3ccccc3n2)CC1 100658008 COJFQKUNMHPXKZ-IYBDPMFKSA-N 438.553 3.980 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)s1 102667576 YULBKXDKQYKMOF-SNEKZUEESA-N 445.050 3.973 0 40 IHAB CCOC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1cc(Cl)ccc1Cl 113893144 BIHXCHQYUVOFCT-UHFFFAOYSA-N 448.324 3.769 0 40 IHAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](Cc2nc(-c3ccsc3)no2)C1 207018142 LLZKCKNNYVJBBB-ZDUSSCGKSA-N 437.518 3.589 0 40 IHAB COc1ccc(CNC(=O)COc2cc(C)c(Br)c(C)c2)c(OC)c1OC 218839184 KTZNLYRATAAYAT-UHFFFAOYSA-N 438.318 3.787 0 40 IHAB Cc1ccc(OCCNC(=O)CN2c3ccc(C)cc3-c3ccccc3S2(=O)=O)cc1 219160810 KRYQRQGSQIEIQH-UHFFFAOYSA-N 436.533 3.674 0 40 IHAB CC[C@@H](C(=O)n1cc(C(=O)OC)c2ccccc21)N(c1ccc(C)c(C)c1)S(C)(=O)=O 222613167 DFELMTIAYZOOBK-FQEVSTJZSA-N 442.537 3.930 0 40 IHAB COc1ccc(CCNC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3C)c2)cc1 224117020 NTDZFNDCETYANZ-UHFFFAOYSA-N 438.549 3.801 0 40 IHAB CCOCCCNC(=O)c1cc(N(C)S(=O)(=O)c2ccc(Cl)cc2)ccc1Cl 224346852 UAGHOAYQAWVBFU-UHFFFAOYSA-N 445.368 3.975 0 40 IHAB CCN(Cc1ccc(C(=O)NCc2ccccc2F)cc1)S(=O)(=O)c1ccccc1 224519843 UYFJUDUZWAJDRP-UHFFFAOYSA-N 426.513 3.967 0 40 IHAB CN(Cc1cccnc1)Cc1nc(C2(O)CCN(Cc3ccc(F)cc3)CC2)cs1 225475822 IUXDHIJLRZSYNF-UHFFFAOYSA-N 426.561 3.793 0 40 IHAB biogenic,in-vitro O=C(c1snnc1-c1ccc(Br)cc1)N1CCN(c2ccccc2)CC1 225785365 GJRVSDPHRHSZCJ-UHFFFAOYSA-N 429.343 3.930 0 40 IHAB CN(C)C(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(C(=O)Cc2cccnc2)CC1 257318453 VNZMHHZATNPTEK-UHFFFAOYSA-N 442.563 3.626 0 40 IHAB CCCCCNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(OC)c(C)c1 408526418 BEUDLQUGJATSON-UHFFFAOYSA-N 432.586 3.543 0 40 IHAB CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(Br)c(Cl)c3)ccc21 408679832 FKAZUKVTMKPTBX-UHFFFAOYSA-N 429.723 3.812 0 40 IHAB CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1ccc(O)c(I)c1 409082781 SSMSTFJEGDWOOZ-UVTDQMKNSA-N 442.322 3.729 0 40 IHAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)ccc1OC 409172912 GNPUSMOOEUCGSK-XDHOZWIPSA-N 442.493 3.778 0 40 IHAB COc1cc(/C=C2\SC(=O)N(CC(=O)NCc3ccc(C)cc3)C2=O)cc(Cl)c1O 409199835 FBMSQLNGCWISOO-MFOYZWKCSA-N 446.912 3.715 0 40 IHAB CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(OC)c(Br)c2)C1=O 409217216 TWHJVKDNJRFVCW-NTEUORMPSA-N 428.304 3.837 0 40 IHAB COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)cc1OC 409343754 IUGWNLVCDAVUPH-YBFXNURJSA-N 426.494 3.996 0 40 IHAB NC(=O)c1cc([C@@H]2CCCN(C(=O)Nc3c(F)cc(F)cc3-c3ccccc3)C2)[nH]n1 541706178 HTDLVTQLWRLTDF-CQSZACIVSA-N 425.439 3.865 0 40 IHAB C[C@]1(c2cccc(-c3noc(-c4cc(-c5ccccc5Cl)[nH]n4)n3)c2)NC(=O)NC1=O 545654731 KUJDSMQDOZYCFQ-OAQYLSRUSA-N 434.843 3.502 0 40 IHAB CCn1cc(C(=O)N2CCC3(CCCCCCOc4ccccc4C(=O)NC3)CC2)cn1 643558578 QGVYSZONICNTRX-UHFFFAOYSA-N 438.572 3.898 0 40 IHAB CCc1ccc2c(c1)Cc1cccc(c1)CN(C(=O)Cc1nonc1C)CCOCCO2 643589028 PEDWONBZBGVKKE-UHFFFAOYSA-N 435.524 3.512 0 40 IHAB COc1cccc(CNC(=O)c2nc3c(s2)CCN(Cc2ccc(F)c(F)c2)CC3)c1 1204224670 QSGHNHNIQKKSRO-UHFFFAOYSA-N 443.519 3.961 0 40 IHAB Cn1c(COc2ccc(Br)cc2)nnc1SCC(=O)Nc1ccccc1 933608 QAJBHDHYEUSRBO-UHFFFAOYSA-N 433.331 3.887 0 40 IHAB Cc1cccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(Br)cc3)CC2=O)c1C 993221 IFZIJJMOUXBNKW-INIZCTEOSA-N 430.298 3.845 0 40 IHAB CCN(CC)C(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCCC3 2385443 CTIJZMZSSHGNSF-UHFFFAOYSA-N 431.583 3.939 0 40 IHAB COc1cc(/C=C/C(=O)OCc2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)ccc1O 3284387 ROFRSXFLUVPNPK-FZKGZDJFSA-N 426.494 3.580 0 40 IHAB CCOC(=O)c1c(NC(=O)[C@H](C)OC(=O)c2ccccc2O)sc2c1CC[C@H](C)C2 3313016 WXCIUQUTLICDIC-STQMWFEESA-N 431.510 3.939 0 40 IHAB CCCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3ccc(Cl)cc3)nnc12 3544510 WQMZTZPOCNUYIX-UHFFFAOYSA-N 427.917 3.838 0 40 IHAB O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)NC(c1ccccc1)c1ccccc1 3600740 RMYLLTZCCPDEJN-HHHXNRCGSA-N 439.515 3.676 0 40 IHAB COCCCNC(=S)N(Cc1ccco1)Cc1cc2cc(C)c(Cl)cc2[nH]c1=O 6321457 JEMQXOXCUXNICX-UHFFFAOYSA-N 433.961 3.996 0 40 IHAB COc1ccccc1-n1c(SCC(=O)N2CCC(C)CC2)nnc1N1CCCCC1 6994100 NYOXZAQDGHNUIL-UHFFFAOYSA-N 429.590 3.617 0 40 IHAB O=S(=O)(c1ccc(Cl)cc1)c1nnn2c1nc(N1CCCCC1)c1sccc12 8589345 OOABADDRDSZFMN-UHFFFAOYSA-N 433.946 3.816 0 40 IHAB Cc1ccc(S(=O)(=O)NC[C@H](c2ccc(F)cc2)S(=O)(=O)c2cccs2)cc1 8968159 LREIUWNUEVUUTK-GOSISDBHSA-N 439.555 3.689 0 40 IHAB COC(=O)c1c(NC(=O)CNc2ccccc2I)sc(C)c1C 9157247 RYTZWGBAYZOMCA-UHFFFAOYSA-N 444.294 3.807 0 40 IHAB COc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2ccc(C)c(Cl)c2)cc1 9236696 WWTMXZWPJKGCPG-ZWKOTPCHSA-N 429.933 3.955 0 40 IHAB C[C@H](NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1)c1ccc2c(c1)OCO2 9256239 QQECNSAYEICIQV-HNNXBMFYSA-N 436.537 3.902 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(Br)cc2C)cc1 9337751 YUEZYJDNPIXMOC-GOSISDBHSA-N 437.359 3.858 0 40 IHAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccccn3)c(C)c2)cc1C 9356519 AQSUWSMJVHZSRB-UHFFFAOYSA-N 439.537 3.503 0 40 IHAB CCOc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCOC)cc1OC 9409059 LTGSKJNLOQXNNW-HSZRJFAPSA-N 437.496 3.771 0 40 IHAB CCOc1ccc2nc(NC(=O)CSc3nnc(-c4ccccc4F)n3N)sc2c1 9496685 SKRNRPBRPDWZNX-UHFFFAOYSA-N 444.517 3.537 0 40 IHAB CC(C)[C@H](NC(=O)CSc1nnc(C2CC2)n1C1CC1)c1ccc2c(c1)OCCO2 9579825 AMTZXVJPKQKAAQ-FQEVSTJZSA-N 428.558 3.867 0 40 IHAB CCC(=O)N(c1nnc(SCC(=O)c2ccc(N3CCCC3=O)cc2)s1)C1CC1 9712625 HZOGCBPSILYSIP-UHFFFAOYSA-N 430.555 3.545 0 40 IHAB CCc1ccc(-c2ccc3nnc(SCC(=O)NCCc4ccccc4OC)n3n2)cc1 9829114 KJNZZTINAOWJGO-UHFFFAOYSA-N 447.564 3.813 0 40 IHAB CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)COc2ccc(Cl)c(C)c2)CC1 9907997 WUKFRIWFWOAMLM-UHFFFAOYSA-N 445.947 3.594 0 40 IHAB CCCCOC(=O)CSc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2 9965690 LJVDMLPGJNFPLW-UHFFFAOYSA-N 426.542 3.696 0 40 IHAB COc1cccc(OC)c1C(=O)OCC(=O)Nc1ccc(Br)cc1Cl 10787108 DATYRZINXWMIKP-UHFFFAOYSA-N 428.666 3.915 0 40 IHAB COc1ccc2oc(-c3csc(NC(=O)CN4C(=O)c5ccccc5C4=O)n3)cc2c1 10882775 SJBALSAJPKEQQN-UHFFFAOYSA-N 433.445 3.800 0 40 IHAB CSc1cccc(N2C[C@H](C(=O)NCc3ccc(NC(=O)c4ccco4)cc3)CC2=O)c1 11534569 HQGLYVOHDDXMBD-QGZVFWFLSA-N 449.532 3.923 0 40 IHAB O=C(Nc1nc2ccc(Br)cc2s1)c1ccc(N2C(=O)CCC2=O)cc1 11617428 FNQBYDPDNJAMAS-UHFFFAOYSA-N 430.283 3.965 0 40 IHAB CCOC(=O)c1ccc(NC(=O)c2cc(N3CCCCS3(=O)=O)ccc2Cl)cc1 12195923 MUXJOCUXSFWFPG-UHFFFAOYSA-N 436.917 3.699 0 40 IHAB Cc1ccc(NC(=O)C[C@@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)cc1C 12233171 STHCDVPAPKUXEU-GOSISDBHSA-N 431.521 3.875 0 40 IHAB COCCCN1COc2ccc3c(C)c(-c4ccc(OC)c(OC)c4)c(=O)oc3c2C1 12442411 PWSMXYJRHCWWAL-UHFFFAOYSA-N 425.481 3.974 0 40 IHAB biogenic O=C(COC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)c1ccc2c(c1)CCC2 12856818 QHULMEMBUMLGPH-UHFFFAOYSA-N 449.528 3.694 0 40 IHAB Cc1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Br)s2)c1C 13005327 KIIOCOCKYFKCHC-AWEZNQCLSA-N 443.388 3.919 0 40 IHAB O=C(CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1ccc(C(F)(F)F)cc1 13038770 ZDOBLMSOHOCOAJ-UHFFFAOYSA-N 432.368 3.880 0 40 IHAB Cc1c(S(=O)(=O)c2ccc(F)cc2)c(NC(=O)[C@@H]2CCCO2)n(Cc2ccco2)c1C 13734721 FUMRZPVVNMSUGS-IBGZPJMESA-N 446.500 3.836 0 40 IHAB COc1ccc(/C=C/C(=O)NCc2ccccc2Cl)cc1S(=O)(=O)N1CCCCC1 14094401 UBCZVXKKLJZAEL-ZRDIBKRKSA-N 448.972 3.853 0 40 IHAB CC(C)CCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1 14135604 XHVLILZAISGSQV-UHFFFAOYSA-N 445.423 3.935 0 40 IHAB O=C(NCc1ccccc1)C1CCN(C(=O)C2CCN(c3nc4ccccc4o3)CC2)CC1 14314725 FODLKCSSQGEPHA-UHFFFAOYSA-N 446.551 3.599 0 40 IHAB COc1ccc(S(=O)(=O)[C@H](CNC(=O)c2c(F)cccc2F)c2cccs2)cc1 15780809 IAUPAJNNMRHPPH-GOSISDBHSA-N 437.489 3.980 0 40 IHAB COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccc(Br)cn2)c(F)c1F 17101872 RULHZCRRJAQTCY-UHFFFAOYSA-N 438.200 3.536 0 40 IHAB CCOc1ccc(N2CCn3c(SCC(=O)Nc4ccccc4OCC)nnc32)cc1 17307762 YSNVAYHGCXOBKW-UHFFFAOYSA-N 439.541 3.958 0 40 IHAB CC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccc(OC)cc1 18131615 UBMBYNPAPVUULZ-NRFANRHFSA-N 434.533 3.503 0 40 IHAB CCOc1ccccc1C(=O)N1CCC[C@@H]1c1nn(C)cc1-c1ccnc(N2CCCC2)n1 19520069 WBTDGEHQPFZLSU-OAQYLSRUSA-N 446.555 3.853 0 40 IHAB CCNC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CCCN(C(=O)Cc2cccnc2)C1 19528553 BJPRQFNTYALMJY-MHZLTWQESA-N 442.563 3.674 0 40 IHAB COc1ccc(CCC(=O)N2CC[C@@](Cc3ccccc3-c3ccncc3)(C(N)=O)C2)cc1 19554463 NLHRXEGKTMYSAH-MHZLTWQESA-N 443.547 3.637 0 40 IHAB COc1cc(C)c(CN2CC[C@@H](c3nc(N(C)C)ncc3-c3cnn(C)c3)C2)c(C)c1C 19693188 SEELMRWDXSCVCY-LJQANCHMSA-N 434.588 3.866 0 40 IHAB Cc1nc([C@H]2CCCN2C(=O)CCCOc2cccc(F)c2)ncc1C(=O)N1CCCC1 19755976 AAMPQDNPFKSFNP-OAQYLSRUSA-N 440.519 3.683 0 40 IHAB CCN(CC)C(=O)c1cnc([C@@H]2CCCCN2C(=O)c2ccc3c(c2)nc(C)n3C)nc1C 19765594 MUELPLQQRGOSMN-QFIPXVFZSA-N 448.571 3.830 0 40 IHAB O=C(NC[C@@H](c1cccs1)N1CCc2ccccc2C1)C(=O)Nc1cc(F)ccc1F 22908282 IVZJAJGFNIXTTE-FQEVSTJZSA-N 441.503 3.881 0 40 IHAB Cc1noc(COC(=O)c2ccccc2OCC(=O)Nc2ccc(Br)cc2)n1 23372173 NPOHRYHQVRDRRE-UHFFFAOYSA-N 446.257 3.515 0 40 IHAB COc1ccc(CN2CCN([C@H](C)C(=O)Nc3ccccc3C(F)(F)F)CC2)cc1F 27541878 HNMIHFZXSTXRKC-OAHLLOKOSA-N 439.453 3.998 0 40 IHAB COc1ccc(Br)c(C(=O)O[C@@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)c1 28829970 KTUWSIQBULRXDJ-NSHDSACASA-N 435.274 3.600 0 40 IHAB COc1cc(OC)cc(-c2nnc(SCCS(=O)(=O)c3cc(C)ccc3C)o2)c1 29866662 QQYOLAHFWPUFSH-UHFFFAOYSA-N 434.539 3.937 0 40 IHAB c1ccc(-n2nnnc2N2CCN(c3nc(-c4ccsc4)nc4ccccc34)CC2)cc1 30520571 GGJNUVLSZUQJPP-UHFFFAOYSA-N 440.536 3.661 0 40 IHAB CCCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)C1 32913100 GVRVHZKSPHARBJ-HNNXBMFYSA-N 442.006 3.778 0 40 IHAB CSc1ncc(C(=O)NC[C@H](c2cccs2)N2CCOCC2)n1-c1ccc(F)cc1 32999969 VWIGYERLQFWQSY-QGZVFWFLSA-N 446.573 3.598 0 40 IHAB COc1ccccc1CNC(=O)CCCc1nc(-c2cc3cc(C)ccc3[nH]c2=O)no1 33013810 KLAIVEWNHNLXKP-UHFFFAOYSA-N 432.480 3.534 0 40 IHAB O=C(Cn1ccc2cc(Br)ccc21)N[C@H](CSCc1ccccc1)C(=O)O 36576112 QNBVTHLRPKIEEE-QGZVFWFLSA-N 447.354 3.907 0 40 IHAB CCCOc1ccc(S(=O)(=O)NCCCN2CCO[C@@H](c3ccccc3)C2)cc1C 36700338 BCLRZCYQYOQXDQ-HSZRJFAPSA-N 432.586 3.526 0 40 IHAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1occc1CS(=O)(=O)c1ccccc1 40018250 TWAOZWWRQYWUBR-UHFFFAOYSA-N 449.532 3.771 0 40 IHAB O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1cccc(N2CCNC2=O)c1 40105414 PZGRFWAIBHBABU-UHFFFAOYSA-N 437.503 3.999 0 40 IHAB CC(=O)N1CSC[C@H]1C(=O)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 48374135 MAWJCGZYDDLZEE-UTKZUKDTSA-N 427.957 3.991 0 40 IHAB Cc1nnc2c(S(=O)(=O)N(Cc3cc(F)cc(F)c3)c3cccc(F)c3)cccn12 49404886 FQUAVPCAZIXATA-UHFFFAOYSA-N 432.427 3.851 0 40 IHAB COc1cc([C@@H]2CC(=O)N(c3ccc(F)cc3)c3c2sc(=O)n3C)cc(OC)c1OC 49547127 DPAZCFIXHIMEPK-HNNXBMFYSA-N 444.484 3.812 0 40 IHAB CC[C@H](C)NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2cc(C(C)(C)C)ccc2O1 64985440 FTJJEJKCNUOKEL-HRAATJIYSA-N 430.570 3.855 0 40 IHAB Cc1nc2cc(F)cc(C(=O)NCc3cc(Br)c4c(c3)OCCO4)c2nc1C 71831424 SNGBUUGUXVZPOY-UHFFFAOYSA-N 446.276 3.849 0 40 IHAB COC(=O)CN(CCc1ccc(Cl)cc1Cl)C(=O)c1ccc(N2CCCC2=O)cc1 72290125 WYRJESIAGKHBMQ-UHFFFAOYSA-N 449.334 3.978 0 40 IHAB COc1cccc(CNC(=O)[C@H](c2cccc(Br)c2)N2CCCC2)c1OC 72306931 NGUFQSITFKIYOD-IBGZPJMESA-N 433.346 3.920 0 40 IHAB COc1cc2c(cc1CN1CCC([C@H](NC(=O)C(C)(C)C)c3nccs3)CC1)OCO2 72394585 AHIJDOPTMGGJFQ-FQEVSTJZSA-N 445.585 3.996 0 40 IHAB CCNC(=O)[C@@]1(Cc2cc(-c3ccc(C)cc3)no2)CCCN(C(=O)c2cccnc2)C1 72395997 IMCTXGXNSQOVFF-RUZDIDTESA-N 432.524 3.646 0 40 IHAB COc1ccc(Br)c(C(=O)NC[C@H](c2cn(C)c3ccccc23)N(C)C)c1 77171671 VNUCTGVAQAIDJY-HXUWFJFHSA-N 430.346 3.982 0 40 IHAB COc1ccc(Cl)cc1C(=O)N1CCc2nc(NC(=O)c3cc(C)on3)sc2C1 77196444 UHOLWXOCTIJKQC-UHFFFAOYSA-N 432.889 3.552 0 40 IHAB CC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCC[C@H](OC(=O)Nc3ccc(F)cc3)C2)cc1 77200415 OSCNAOSLPLMLIT-MOPGFXCFSA-N 434.489 3.867 0 40 IHAB Cc1ccc(NC(=O)NC[C@@H]2CCO[C@H](C)C2)cc1NC(=O)NC[C@H]1CCO[C@@H](C)C1 95457631 AKEPYGOPRGTWSJ-HCXYKTFWSA-N 432.565 3.868 0 40 IHAB CC(C)N1CCc2c(nc3cc([C@H]4CCCCN4C(=O)Cc4ccsc4)nn3c2O)C1 100234096 VQVJNGCHBZLKIP-HXUWFJFHSA-N 439.585 3.559 0 40 IHAB COc1ccc(OC)c(S(=O)(=O)Nc2c(NC3CCCC3)c3ccccc3oc2=O)c1 101094468 PXWVIPFEAPEFNR-UHFFFAOYSA-N 444.509 3.966 0 40 IHAB Cc1ccccc1C(=O)N1CCC(C(=O)O[C@H](C)C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)CC1 104731255 NHMVATQGINAGPQ-BEARUUAKSA-N 440.584 3.720 0 40 IHAB COc1ccc2[nH]cc(/C=C(\NC(=O)c3ccccc3)C(=O)NCC(C)(C)CN(C)C)c2c1 215698222 RUJSIKFNMNPVFX-QRVIBDJDSA-N 448.567 3.651 0 40 IHAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OC 216478255 OFSTYOLGRSIMKV-FQEVSTJZSA-N 446.569 3.893 0 40 IHAB CCSc1ccccc1NC(=O)[C@@H](C)N(c1cc(OC)ccc1OC)S(C)(=O)=O 220222978 GTPPTHGSXRAPIJ-CQSZACIVSA-N 438.571 3.609 0 40 IHAB CC[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 220752677 SWKLBJYSAKSCHX-SCLBCKFNSA-N 442.940 3.910 0 40 IHAB CCOc1ccc([C@@H](C)NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CC)cc1OCC 222892622 BHGQOURTAWHEFH-MRXNPFEDSA-N 446.569 3.823 0 40 IHAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(OC)cc1 223284279 BRLLIOLUAYAZBC-IBGZPJMESA-N 439.339 3.934 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccccc2)c2cccc(C)c2)cc1 223543368 PNPMLEUMVBKRTF-UHFFFAOYSA-N 438.549 3.694 0 40 IHAB CCCc1ccc(OCCNC(=O)[C@@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 223895473 ZFEXMEBHPNZZMS-LJQANCHMSA-N 432.586 3.606 0 40 IHAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2C[C@@H]2CCCO2)N1c1ccc2c(c1)OCO2 224008111 QEKBBRJTRDFBFL-JJEOQYAHSA-N 448.548 3.968 0 40 IHAB COc1cccc(-c2noc(CCC(=O)N3CCN(C/C=C/c4ccccc4)CC3)n2)c1 225825346 HZHMDNAFYAGFCS-RMKNXTFCSA-N 432.524 3.535 0 40 IHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NC1CCN(c2ncnc3c2CCCC3)CC1 238852393 JPFIZKCGXBJWFW-UHFFFAOYSA-N 428.964 3.951 0 40 IHAB C[C@H](C(=O)O)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@H]([C@](C)(O)CO)[C@]4(CCC(=O)O4)C[C@H]3CC[C@]12C 251981956 GFRDTMTUJTYIJJ-OFDGZIIYSA-N 436.589 3.775 0 40 IHAB biogenic,in-vitro COc1cccc(Cc2cccc([C@H]3CN(C(=O)c4[nH]nc5c4CCCCC5)CCO3)n2)c1 257337745 YUEGADAMVBJUSE-XMMPIXPASA-N 446.551 3.887 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)cc1C(=O)NCC(C)C 408597466 WSHJJSLSCVFBFN-UHFFFAOYSA-N 443.613 3.509 0 40 IHAB CCCNC(=O)CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 409055260 DLLZXEXEACUWBB-UHFFFAOYSA-N 433.332 3.850 0 40 IHAB CC(C)NC(=O)COc1cc(C(F)(F)F)nc2ccc(I)cc12 540051611 QQONDQZIWVUWPH-UHFFFAOYSA-N 438.187 3.762 0 40 IHAB O=S(=O)(Nc1cc(-c2ccncc2)[nH]n1)c1cc(Br)cc2cccnc12 576308304 MFXUGDOFONHDPW-UHFFFAOYSA-N 430.287 3.583 0 40 IHAB CCOc1cc(NC(=O)CCn2nnc3ccccc32)c(OCC)cc1NC(=O)CC 929399 NWDKDPURPXBSJQ-UHFFFAOYSA-N 425.489 3.606 0 40 IHAB CC(C)Cn1c(=O)c2ccccc2n2c(SCC(=O)N3[C@@H](C)CCC[C@H]3C)nnc12 1331820 YABGGPBBEGZWDP-IYBDPMFKSA-N 427.574 3.582 0 40 IHAB COc1ccc(CS(=O)(=O)c2nc(C)cc(C)c2S(=O)(=O)c2ccc(C)cc2)cc1 1403475 NUCMULZVRPREDF-UHFFFAOYSA-N 445.562 3.822 0 40 IHAB Cc1cc(C)nc(SC2=C(Nc3ccccc3O)C(=O)N(Cc3ccccc3)C2=O)n1 1407879 OVKVJNYKPXAHGL-UHFFFAOYSA-N 432.505 3.784 0 40 IHAB CCOc1ccc(-n2c(SCC(=O)N3CCOCC3)nnc2-c2ccc(C)cc2)cc1 3286438 IUVOALAAXQYPEL-UHFFFAOYSA-N 438.553 3.592 0 40 IHAB O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc(C(F)(F)F)c1 3303256 MNKPGMIJZQEQHB-UHFFFAOYSA-N 441.427 3.530 0 40 IHAB CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)NCCc3ccc(Cl)cc3)C2=O)cc1 3363300 AQMONXZFISFTCL-XMMPIXPASA-N 441.959 3.763 0 40 IHAB CCC(C)(C)NC(=O)[C@@H](c1ccncc1)N(C(=O)c1csnn1)c1ccc(F)cc1 5946005 IPNDIGBMTSHKBB-GOSISDBHSA-N 427.505 3.765 0 40 IHAB COc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(Cc3cccnc3)C2=O)cc1 6136619 URQJPVDQSHSHJI-NRFANRHFSA-N 448.454 3.596 0 40 IHAB CCOc1ccccc1NC(=O)[C@@H](C)n1cnc2sc(C(=O)OC(C)C)c(C)c2c1=O 6631537 ZSQMVQSVKXPSBO-CQSZACIVSA-N 443.525 3.930 0 40 IHAB Cc1ccc2oc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3)cc(=O)c2c1 8612363 KZMADORPHQYXKC-UHFFFAOYSA-N 440.521 3.918 0 40 IHAB CS(=O)(=O)N1N=C(c2ccccc2)C[C@H]1c1cc2cc3c(cc2nc1Cl)OCO3 8663675 DCTSZMDMUNMBEL-KRWDZBQOSA-N 429.885 3.728 0 40 IHAB CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2cc(OC)cc(OC)c2)cc1OC 8831404 WXMWMTQEJCOBIZ-UHFFFAOYSA-N 445.541 3.968 0 40 IHAB CC(=O)Nc1ccc(CC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)cc1 8983194 ICUJNDCYZZPJAU-UHFFFAOYSA-N 443.569 3.699 0 40 IHAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCc3sccc3[C@@H]1c1cccs1)C2=O 9377217 RTDVZCSPTZOIPD-WTGRHJARSA-N 443.594 3.784 0 40 IHAB CC(C)[C@H](C(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CCC2)c1ccc(Cl)cc1 9386520 IJEIZGPDUVTZNI-KRWDZBQOSA-N 434.945 3.911 0 40 IHAB O=C(Cn1cnc2c(cnn2-c2ccc(Cl)cc2)c1=O)Nc1ccccc1C(F)(F)F 9416418 YLGBUUZJKDCBMB-UHFFFAOYSA-N 447.804 3.893 0 40 IHAB C[C@H](Sc1nnc(-c2ccccc2F)o1)C(=O)Nc1ccc(N2CCOCC2)cc1 9467134 QZPZFMVAENFFTK-AWEZNQCLSA-N 428.489 3.832 0 40 IHAB O=C(Cc1n[nH]c(=O)c2ccccc12)N(Cc1cccs1)c1ccc2c(c1)OCCO2 9671959 XFDJPKWJPJSRGN-UHFFFAOYSA-N 433.489 3.532 0 40 IHAB CCCC(CCC)C(=O)NCCn1ncc2c(=O)n(Cc3ccc(Cl)cc3)cnc21 9823117 WMIMYESIPOZCAM-UHFFFAOYSA-N 429.952 3.627 0 40 IHAB Cc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccccc1)cn2CC(=O)Nc1ccccc1 9856750 WTJXRFFHLIOEHC-UHFFFAOYSA-N 432.501 3.781 0 40 IHAB CN(C)S(=O)(=O)c1cccc(NCC(=O)Nc2ccc(OCc3ccccc3)cc2)c1 9883751 WBHIPVSWXFQFGZ-UHFFFAOYSA-N 439.537 3.567 0 40 IHAB Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@H](CC(C)C)N1C(=O)c2ccccc2C1=O 10860538 RGJLEYKIGVRZTO-IBGZPJMESA-N 442.899 3.841 0 40 IHAB CCn1/c(=N\C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)sc2cc(C)ccc21 11726357 XNYFVDYUGMEVSY-QURGRASLSA-N 429.567 3.557 0 40 IHAB Cc1nc(-n2nc(C3CC3)cc2NC(=O)C(C)(C)Oc2ccc(Cl)cc2)[nH]c(=O)c1C 12127133 CTJYQTZWOLVRIH-UHFFFAOYSA-N 441.919 3.899 0 40 IHAB O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(COCC(F)(F)F)cc1 12264734 UODHJSIGGIEUQJ-UHFFFAOYSA-N 428.432 3.558 0 40 IHAB O=C(N[C@]1(C(F)(F)F)NC(=O)N(c2ccccc2)C1=O)c1ccc(Cl)cc1Cl 12376666 AMMIUNCEJVVHKL-INIZCTEOSA-N 432.185 3.738 0 40 IHAB COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)Nc1ccccc1N1CCOCC1 12549088 RVCUERCUEFBAQH-UHFFFAOYSA-N 446.429 3.989 0 40 IHAB Cc1cc(C)n(CCC(=O)Oc2ccc(N(C)S(=O)(=O)c3ccc(C)c(C)c3)cc2)n1 12765889 XAIMRBKMWJZTBH-UHFFFAOYSA-N 441.553 3.938 0 40 IHAB CCOC(=O)c1c(NC(=O)CN2c3ccccc3CC[C@H]2C)sc(C(=O)N(C)C)c1C 13037924 NIBWBEABZXKXPB-CQSZACIVSA-N 443.569 3.715 0 40 IHAB Cc1[nH]c2ccccc2c1C(=O)CN1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 13061045 UHFZALFVEHIJKT-UHFFFAOYSA-N 439.581 3.789 0 40 IHAB Cc1cc(C)c(OCC(=O)N(Cc2ccc(Cl)cc2)[C@H]2CCS(=O)(=O)C2)c(C)c1 13511245 BHYPNZOAFGVLEJ-FQEVSTJZSA-N 435.973 3.860 0 40 IHAB C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)NCCC1=CCCCC1 13554610 RONAVVNVXVQDKC-YWBKXGLFSA-N 441.597 3.546 0 40 IHAB CCC(C)(C)n1nnnc1[C@@H](c1cccc(F)c1)N1CCN(c2ccccc2OC)CC1 13561757 NGERVSLIJXLCQE-JOCHJYFZSA-N 438.551 3.878 0 40 IHAB CC[C@@H]1CCCCN1CCCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 13672458 SFPIKZCEUCWMKD-OAQYLSRUSA-N 429.586 3.872 0 40 IHAB CCn1nc(C)cc1C(=O)N(C[C@H]1CCCO1)c1nc2c(OC)ccc(OC)c2s1 13699904 KIKHSSNITJGXIZ-CQSZACIVSA-N 430.530 3.664 0 40 IHAB C[C@@]1(c2ccccc2Br)NC(=O)N(Cc2nnc(-c3cccs3)o2)C1=O 14233004 OXILVBMTYYNNOA-KRWDZBQOSA-N 433.287 3.528 0 40 IHAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)COc1ccc(Br)cc1F 15095894 BPSLNVDKIFFCAI-ZDUSSCGKSA-N 433.281 3.767 0 40 IHAB COc1ccc([C@H]2CCCN2C(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)cc1 15541696 ARWIJJIMYWTJKA-OAQYLSRUSA-N 446.544 3.986 0 40 IHAB O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CCN(c2ccc(F)cc2)CC1 15679393 MOSRIPZQOAONTH-UHFFFAOYSA-N 429.293 3.941 0 40 IHAB CCc1cccc(CC)c1NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 16162284 XKHWCTVMGBMGNZ-UHFFFAOYSA-N 439.375 3.833 0 40 IHAB CNc1cc(C2CCN(S(=O)(=O)c3cc(C)ccc3F)CC2)nc(-c2cccnc2)n1 19134429 ZYYNJRSCIDVCQU-UHFFFAOYSA-N 441.532 3.596 0 40 IHAB Cc1ccsc1CN1C[C@@H](C(=O)NC(C)C)[C@H](c2ccnc(N3CCCCC3)n2)C1 19238716 VXTSSFQSXWFZAQ-RTBURBONSA-N 427.618 3.577 0 40 IHAB CSCC[C@H](NC(=O)c1cc2c(s1)CCCC2)c1cc(=O)[nH]c(-c2cccnc2)n1 19573973 ZBBODJJYNJQFPS-INIZCTEOSA-N 440.594 3.996 0 40 IHAB COc1cc(CN2CCN(C)C(=O)[C@H](Cc3ccccc3-c3cccnc3)C2)cc(OC)c1 19589630 MTASABHOTOPJKS-HSZRJFAPSA-N 445.563 3.899 0 40 IHAB Cc1cccc(CS(=O)(=O)N2CCC[C@@H]2c2cc(C(F)(F)F)c3c(N)n[nH]c3n2)c1 19742380 SMSOPPZAAUWYCZ-OAHLLOKOSA-N 439.463 3.534 0 40 IHAB COc1ccccc1CN1C(=O)Cc2c(C)nc([C@H]3CCCN(C(=O)C4CCCC4)C3)nc21 19743817 GVUFHQJFFJQLOC-FQEVSTJZSA-N 448.567 3.779 0 40 IHAB O=C(O)c1ccc(-n2nnnc2SCC(=O)c2ccc([C@@H]3CC3(Cl)Cl)cc2)cc1 19854604 PTLPLXYVOITDQV-HNNXBMFYSA-N 449.319 3.997 0 40 IHAB CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(Br)cc1O 20036344 CXPAOCJMKSPDNY-VIZOYTHASA-N 435.249 3.785 0 40 IHAB CC(C)(C)c1ccc(OCCNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 21904286 KNQMPSMFWNFRFY-UHFFFAOYSA-N 444.597 3.580 0 40 IHAB Cc1cc(C)c(NC(=O)CSc2nnc3nc(O)c(-c4ccc(F)cc4)nn23)c(C)c1 22720784 KUCHNWDRJHUANV-UHFFFAOYSA-N 438.488 3.687 0 40 IHAB Cc1ccc(-n2ncc3c(C4CC4)nn(CC(=O)N4CCc5ccccc54)c(=O)c32)c(C)c1 22768151 SMDZSSMMBFDFQJ-UHFFFAOYSA-N 439.519 3.666 0 40 IHAB COc1cccc(CSc2nc(CC(=O)Nc3ccccc3SC)cc(=O)[nH]2)c1 23138178 JKUQJBPKMFRIPI-UHFFFAOYSA-N 427.551 3.974 0 40 IHAB COCCCN1C(=O)[C@H](CC(=O)Nc2ccc(C)c(Cl)c2)n2c1nc1ccccc12 23411202 RDOQFBAOHQSROA-IBGZPJMESA-N 426.904 3.951 0 40 IHAB Cc1cccc(C)c1NC(=O)CN(C)c1ccc(S(=O)(=O)N(C(C)C)C(C)C)cn1 23508598 XEJCCPBSDVCNGG-UHFFFAOYSA-N 432.590 3.581 0 40 IHAB O=C(NCc1ccc(N2CCOCC2)nc1)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 30669401 QRBKRWRPUAQGJG-RBUKOAKNSA-N 434.565 3.894 0 40 IHAB CCc1ccc([C@@H](NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c2cccc(F)c2)cc1 32759138 GWYKHGHDYCZXIK-JOCHJYFZSA-N 447.553 3.860 0 40 IHAB COc1ccc(Cl)cc1NC(=O)CSc1nc2ncccc2c(=O)n1CC(C)C 32893358 FXYYKLRZZWTRDI-UHFFFAOYSA-N 432.933 3.840 0 40 IHAB C[C@H](Sc1nnc(-c2cccs2)n1CCC(N)=O)C(=O)Nc1ccc(Cl)cc1 32895055 QZRKJQNUKRQHHC-NSHDSACASA-N 435.962 3.655 0 40 IHAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1nc2ccccc2n1CC(=O)N1CCCC1 35312081 WOUZAQZMJBXBJH-QGZVFWFLSA-N 434.565 3.729 0 40 IHAB COc1ccc(CCNC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(C)cc3)c2)cc1 36271328 PDDVMHMMYCAJPY-UHFFFAOYSA-N 438.549 3.801 0 40 IHAB COc1ccc(-c2ccc(N3CCN(C(=O)Cc4cn(C)c5ccccc45)CC3)nn2)cc1 38488105 MMLXCQAARHTYEC-UHFFFAOYSA-N 441.535 3.535 0 40 IHAB Cc1cc(C(=O)N2CCCc3cc(S(=O)(=O)N(C)C)ccc32)c2ccc(F)cc2n1 40073900 ASTRRLUMXIJGPW-UHFFFAOYSA-N 427.501 3.526 0 40 IHAB CN(C)[C@H](CNC(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)c1ccsc1 40120906 PATDIKZLVLUMPJ-SJLPKXTDSA-N 439.503 3.535 0 40 IHAB CCS(=O)(=O)Nc1ccc(NC(=O)c2cc3cc(OC)ccc3nc2C)cc1OC 40157541 NFNGPMYGBHWFSA-UHFFFAOYSA-N 429.498 3.574 0 40 IHAB COc1cc([C@H](C)NC(=O)Nc2ccc(CCN3CCCCC3)cc2)ccc1OCCO 65586131 RYRVBDCDHASRPB-IBGZPJMESA-N 441.572 3.977 0 40 IHAB COc1ccc(NC(=O)Cn2cc(-c3nc(-c4cccc(C)c4)no3)ccc2=O)c(OC)c1 67289403 XYSUJIXJSXOMGD-UHFFFAOYSA-N 446.463 3.530 0 40 IHAB COCCN(CCOC)C(=O)c1cc(-c2cccc(C(F)(F)F)c2)nc2onc(C)c12 69951464 VCFMPLHBYKBMBH-UHFFFAOYSA-N 437.418 3.952 0 40 IHAB CC(=O)Nc1nc(C(=O)O[C@H]2CCC[C@@H]2N2CCN(c3cccc(Cl)c3)CC2)cs1 72310690 GZCGLYCFLQKVTK-OALUTQOASA-N 448.976 3.655 0 40 IHAB O=C(c1cc(-c2ccccc2)n[nH]1)N1CCC[C@H](c2cc(C(F)(F)F)n3ncnc3n2)C1 72393657 DQADLWOBEHPFCR-AWEZNQCLSA-N 441.417 3.553 0 40 IHAB Cn1nc(C2CCN(C(=O)C3(c4cccs4)CCCC3)CC2)n(-c2ccccc2)c1=O 77146552 SZJJWGGTNFJLMU-UHFFFAOYSA-N 436.581 3.851 0 40 IHAB CN1CCN(c2ccc(NC(=O)[C@@H]3CCCN(Cc4ccccc4Cl)C3)cc2)CC1 96627168 FGPGKODDQSKTEO-HXUWFJFHSA-N 426.992 3.943 0 40 IHAB Cn1cc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)Cc3ccc4c(c3)OCO4)CC2)n1 100744254 WAORNVFDFZSVDF-MSEWRSJXSA-N 432.524 3.844 0 40 IHAB O=C(CN1C(=O)S/C(=C/c2ccc(F)c(Br)c2)C1=O)N1CCCCC1 205804914 JGCXNBPMYLRWPS-NTEUORMPSA-N 427.295 3.637 0 40 IHAB CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(CN)NC(=O)OC(C)(C)C)cc1 218648447 PTUHUWYTHYZGFD-IMSXRSKXSA-N 444.597 3.719 0 40 IHAB CCOc1ccccc1N(CC(=O)N[C@@H](CC)c1ccc2c(c1)CCCC2)S(C)(=O)=O 223038028 OERDPTLYTBJFFZ-NRFANRHFSA-N 444.597 3.998 0 40 IHAB Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)NCc2nc(-c3ccccc3)no2)c1 223946289 DRRGVIVBZNJFAC-UHFFFAOYSA-N 448.504 3.776 0 40 IHAB CCOc1cc(CNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)ccc1OC 223999068 QEIVFNQOEWAEAG-UHFFFAOYSA-N 446.550 3.886 0 40 IHAB COc1ccc(CN(C(=O)COc2ccc(OC)cc2)[C@@H](C)C(=O)NC2CCCC2)cc1 224046173 BWAMYIYXEGQCRT-SFHVURJKSA-N 440.540 3.559 0 40 IHAB Cc1ccc(C(=O)NCCCSCc2ccccc2)cc1N1CCCCS1(=O)=O 224399034 CDVRIYNBNLOZJQ-UHFFFAOYSA-N 432.611 3.978 0 40 IHAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)N(C)Cc3cccs3)cc2)cc1 224519609 YAPVTFUMYITXOS-UHFFFAOYSA-N 444.578 3.850 0 40 IHAB CC(C)[C@H](C)NC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 225187078 VDEYFQMECCPARA-HNNXBMFYSA-N 439.375 3.805 0 40 IHAB Cc1cc(C)cc(N([C@@H](C)C(=O)Nc2nnc(-c3ccccc3)s2)S(C)(=O)=O)c1 225290803 OFFHKQIGXSHMGW-HNNXBMFYSA-N 430.555 3.615 0 40 IHAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)[nH]1 225386316 XLHJICGLXFHLCO-VQTJNVASSA-N 441.582 3.575 0 40 IHAB CC(C)Oc1cccc(CCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c1 225511020 VFRAKNQJUGYILF-NRFANRHFSA-N 444.597 3.624 0 40 IHAB COc1ccc(NC(=O)[C@@]2(C)CCCN(c3c(C)cccc3C)S2(=O)=O)cc1OC 225951544 NKKXAVPJGSKZBV-JOCHJYFZSA-N 432.542 3.648 0 40 IHAB CCOC(=O)c1cc(I)c(OC(=O)c2ccccc2)c(OC)c1 226364476 JBIQEZHMAHISCH-UHFFFAOYSA-N 426.206 3.696 0 40 IHAB COc1cccc2ccc(CN3CCNC(=O)[C@@H]3Cc3ccc(-c4cccnc4)cc3)nc12 257326608 WXWBZHZSYKYFLF-DEOSSOPVSA-N 438.531 3.849 0 40 IHAB COc1ccc(F)cc1-c1ccc2nc([C@@H]3CCCN(C(=O)c4cccn4C)C3)nn2c1 306145071 ZWVVMLSZGBCRHH-QGZVFWFLSA-N 433.487 3.902 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3SC)C2)cc1 408559842 NBMBVPGCGUSHGV-MRXNPFEDSA-N 434.583 3.847 0 40 IHAB CN1C(=O)c2ccc(NC(=S)NC(=O)/C=C/c3ccc(-c4ccccc4)o3)cc2C1=O 408573179 MOFRPGYYIQMYMF-FMIVXFBMSA-N 431.473 3.699 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(O[C@@H](C)C(=O)NCC(C)C)cc2)cc1Cl 408601763 HDVFDBWUMFMQGZ-AWEZNQCLSA-N 440.949 3.689 0 40 IHAB Cc1cccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(Br)cc3C)CC2=O)c1 408655170 LEPZYBSCMWOWJC-OAHLLOKOSA-N 445.313 3.601 0 40 IHAB Cc1cc(C)cc(N2C[C@H](C(=O)OCC(=O)Nc3ccccc3C(F)(F)F)CC2=O)c1 408659926 TXBAPSLNGQSDDF-OAHLLOKOSA-N 434.414 3.857 0 40 IHAB COc1ccccc1NC(=O)COC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 408663565 AHNXIBMFBLVQEP-UHFFFAOYSA-N 425.268 3.903 0 40 IHAB CCc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)N[C@@H](C)c2ccccc2)cc1 408709498 BUJDKOCSRYRDPL-SFHVURJKSA-N 429.520 3.995 0 40 IHAB CCn1c(CNC(=O)c2ccccc2C)nnc1SCC(=O)Nc1cccc(Cl)c1 409339558 WEHMWIIKGBPNIY-UHFFFAOYSA-N 443.960 3.921 0 40 IHAB Cc1cccc(-c2n[nH]cc2C(=O)NC2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)c1 575614222 PTKNCBRSLPVUOM-UHFFFAOYSA-N 444.461 3.901 0 40 IHAB Cc1nnsc1CNC(=O)c1ccc2c(c1)CNCCCCCCCN2C(=O)C(C)C 643583702 IBKPMMSPXJPPOD-UHFFFAOYSA-N 443.617 3.819 0 40 IHAB O=C(O)CCN(CC1CC1)C(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 675971391 IYDDVEXQYCVVGF-FQEVSTJZSA-N 428.916 3.915 0 40 IHAB O=C(c1c(C(F)F)nc2cnccn12)N1CC(Cc2cccc(OC(F)(F)F)c2)C1 1615610112 BBFVLJOJVFUQKS-UHFFFAOYSA-N 426.345 3.880 0 40 IHAB NS(=O)(=O)c1cc(CNC(=O)N[C@H]2CCc3ccc(-c4ccccc4)cc32)ccc1F 1681654435 AXTKUCDJTCEDSZ-NRFANRHFSA-N 439.512 3.627 0 40 IHAB CC(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]2CC[C@@]2(C)[C@@H]3C[C@@H](NC(C)=O)[C@@H]2OC(C)=O)C1 2049252108 XPIBCNBRWGFJER-AEKDLKHQSA-N 432.605 3.580 0 40 IHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1 2626707 FJQWDISLYGGVRC-UHFFFAOYSA-N 449.576 3.864 0 40 IHAB O=C(Cn1nnc(-c2ccccc2)n1)Nc1cnn(Cc2ccc(Cl)cc2Cl)c1 2788494 ZWLYSWZJZYPFJS-UHFFFAOYSA-N 428.283 3.530 0 40 IHAB COC(=O)c1ccc(C)c(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c1 3556100 AYDODRSPZGKEMZ-UHFFFAOYSA-N 430.526 3.517 0 40 IHAB Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)N3CCCCC3)cc2c1 6301154 UWOZHMNKOGSNRC-HSZRJFAPSA-N 446.530 3.894 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)Nc2ccc(N3CCCC3)cc2)cc1 6822009 SMGDJFGWNKJKMK-JOCHJYFZSA-N 427.570 3.777 0 40 IHAB COc1cc2oc3ccccc3c2cc1N(CC(=O)N(C)C)S(=O)(=O)c1ccccc1 8438938 AJMDUWGELBJOJP-UHFFFAOYSA-N 438.505 3.878 0 40 IHAB CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)C1=O 8862223 NIIZMVVJIHIQEJ-VWLOTQADSA-N 440.459 3.997 0 40 IHAB CC(=O)Nc1cccc(NC(=O)Cn2nc(-c3ccc(C)cc3)c3sc(C)nc3c2=O)c1 8955123 JSJSITKSDSHQHY-UHFFFAOYSA-N 447.520 3.734 0 40 IHAB Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@H]3C(=O)NCc2ccc3c(c2)OCO3)cc1 9132158 KIBLNFSJPVDNHH-MRXNPFEDSA-N 435.505 3.779 0 40 IHAB CC(=O)[C@@H]1[C@@H](C(=O)c2ccccn2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(C)ccc3N12 9193189 CTLOGBVHJCVBFC-KALPRAJFSA-N 449.510 3.952 0 40 IHAB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccccc3)c(OC)c2)C1=O 9262272 GXXRSJYOLPODBK-BXUJETTOSA-N 427.478 3.872 0 40 IHAB COc1ccc(N2C(=O)C[C@@H](N3CCC(CCc4cc(F)cc(F)c4)CC3)C2=O)cc1 9287940 IPWHZSURTCABRP-JOCHJYFZSA-N 428.479 3.950 0 40 IHAB CCc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 9329311 WZRCLBQANYADHU-OAHLLOKOSA-N 445.313 3.546 0 40 IHAB CCS(=O)(=O)N1CCc2cc(C(=O)CSc3ccc4c(c3)OCCCO4)ccc21 9349415 UUKJKZDIYKLFLL-UHFFFAOYSA-N 433.551 3.535 0 40 IHAB O=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N1CCC[C@@H]1c1nnc2ccccn12 9737252 PAFIPMYFBFLIFA-CYBMUJFWSA-N 430.839 3.927 0 40 IHAB Cc1cc(C)cc(OCC(=O)Nc2sc3c(c2C(=O)N2CCOCC2)CCCC3)c1 9793627 MBZCCKQTPNLIMF-UHFFFAOYSA-N 428.554 3.734 0 40 IHAB CCN(CC)CCNC(=O)/C(=C/c1cn(C)c2ccccc12)NC(=O)c1ccccc1F 9850490 XZBMGTPZNZCPPI-JWGURIENSA-N 436.531 3.546 0 40 IHAB CCc1cccc(C)c1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(Br)cc1 10041090 WGTYAAYNNDXAGD-ZDUSSCGKSA-N 425.348 3.625 0 40 IHAB Cc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(Br)cc2)cc1Cl 10127197 VJBYGMUYCZJXNR-LLVKDONJSA-N 431.739 3.716 0 40 IHAB Cc1cccc(C)c1N1C(=O)N(CC(=O)N2CCCC[C@H]2C)c2ccccc2S1(=O)=O 10273735 VCBGXGGMEPZQBA-GOSISDBHSA-N 441.553 3.840 0 40 IHAB CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1 10688029 HVTHTYBYLGWTHU-UHFFFAOYSA-N 442.468 3.773 0 40 IHAB O=C(COC(=O)c1ccccc1NS(=O)(=O)c1cccs1)NCCC1=CCCCC1 10922954 DRPCYKODKNQISG-UHFFFAOYSA-N 448.566 3.712 0 40 IHAB CNS(=O)(=O)c1cc(C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)cc(C)c1C 10985568 AKIIXQSWPMVWTB-UHFFFAOYSA-N 444.582 3.674 0 40 IHAB O=C(CCCCc1nc2ccccc2s1)N1CCN(S(=O)(=O)c2cccs2)CC1 12695554 IOHGCHJDGDEYRY-UHFFFAOYSA-N 449.623 3.604 0 40 IHAB CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2C(=O)NC2CCCC2)cc1 12757321 XUKQQCVFOBBIQD-UHFFFAOYSA-N 448.541 3.576 0 40 IHAB Cc1cc(=O)c(C(=O)Nc2cc(Cl)ccc2-n2cncn2)nn1-c1ccc(Cl)cc1 12765684 ULCNQNANIZJRCP-UHFFFAOYSA-N 441.278 3.681 0 40 IHAB Cc1ccccc1C(=O)N1CCC(C(=O)O[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)CC1 12803294 AUVCDSOMFSMKIE-OALUTQOASA-N 434.536 3.757 0 40 IHAB COc1cc(C(=O)N2CCN(C)c3nc4ccccc4nc32)cc(OC)c1Br 12820914 IMYJXBAQPSLOGY-UHFFFAOYSA-N 443.301 3.506 0 40 IHAB CC(C)Cn1c(S[C@@H](C)C(=O)NC(C)C)nc2ccc(Br)cc2c1=O 12974733 YEUDEKUXUZRUHB-LBPRGKRZSA-N 426.380 3.820 0 40 IHAB COc1ccc(-c2nnc(SCC(=O)Nc3c(C)cccc3C(C)C)n2N)c(OC)c1 12979648 PHUFGHLHGMLVJO-UHFFFAOYSA-N 441.557 3.839 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(Cc3nnc(-c4ccc(Cl)cc4)o3)CC2)cc1C 13031254 IDLVKMGABXUIAA-UHFFFAOYSA-N 446.960 3.513 0 40 IHAB Cc1c(C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@@H]2CCCO2)oc2c(F)cccc12 13040809 IKJAAPIYTBNSRM-HNNXBMFYSA-N 435.455 3.938 0 40 IHAB CCn1c(SCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)nnc1-c1cccs1 13113167 SMXHJPFCFMJRPM-CYBMUJFWSA-N 427.555 3.883 0 40 IHAB Fc1ccc(Cn2nnnc2[C@H](c2ccccc2)N2CCN(c3ccccc3)CC2)cc1 13504741 NKYKAZFOWXLZLP-DEOSSOPVSA-N 428.515 3.772 0 40 IHAB COc1cc(C(=O)Nc2ccc3c(c2)nc(CN2CCCCC2)n3C)cc(OC)c1OC 13732867 RWASLKROTSERDP-UHFFFAOYSA-N 438.528 3.837 0 40 IHAB CC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1nnc(Cc2cccs2)n1C1CC1 13985853 RRCHYXKUCXFJFF-IBGZPJMESA-N 440.594 3.674 0 40 IHAB COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)c2ccncc2)CC1 14124697 BKPKDAJDMAPWOA-DEOSSOPVSA-N 444.535 3.536 0 40 IHAB Cc1ccc(C(=O)N(C)c2ccc(OCC(=O)NCc3ccc(C(=O)O)cc3)cc2)cc1 14185488 HPYVXNDFHALAEM-UHFFFAOYSA-N 432.476 3.665 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)Cc2ccc(Cl)cc2Cl)cc1 14198459 TZVOZJCQVZBZPS-UHFFFAOYSA-N 429.369 3.883 0 40 IHAB O=S(=O)(Nc1ccc(I)cc1)c1ccc(Br)s1 14254452 YGWKVGMCXIWBQJ-UHFFFAOYSA-N 444.113 3.916 0 40 IHAB O=C(OCc1nc2ccccc2[nH]1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 14621275 FKUXIAZBPHWLQT-UHFFFAOYSA-N 433.489 3.671 0 40 IHAB O=C(C[C@@H]1CCNC[C@@H]1Cc1cc(-c2ccccc2)on1)NCc1ccc2c(c1)OCO2 15673458 UEGNGEZSLYUKSW-PMACEKPBSA-N 433.508 3.545 0 40 IHAB biogenic,in-vitro Cn1cc(C(=O)N2CCC(c3cc4nc(C(C)(C)C)cc(C(F)(F)F)n4n3)CC2)cn1 19083838 WHZOBWHUTDYEPT-UHFFFAOYSA-N 434.466 3.799 0 40 IHAB Cc1ccc(F)c(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)c1 19167511 BEAZQSLPTPKKLL-HNNXBMFYSA-N 442.516 3.677 0 40 IHAB CCCO[C@@H]1CCCN(C(=O)CN2C[C@@H](c3csnn3)[C@H](c3ccc(Cl)cc3)C2)C1 19503773 CXEBHRXNICHLNA-HSALFYBXSA-N 449.020 3.792 0 40 IHAB COc1ccc(OCCN(C)C(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 19601409 LLMAKVZXCXEYNP-UHFFFAOYSA-N 440.521 3.647 0 40 IHAB COCC(=O)N1CCC(Cc2ccc(-c3ccccc3F)cc2)(C(=O)N2CCCC2)CC1 19700511 ABPOWJYLETXQDS-UHFFFAOYSA-N 438.543 3.913 0 40 IHAB CC[C@H](C)NC(=O)Cn1cc(-c2nc(-c3ccc(C)cc3)no2)c(=O)c2ccc(C)nc21 21655355 VXDYZQGNLLREQJ-HNNXBMFYSA-N 431.496 3.645 0 40 IHAB C[C@H]1C[C@@H](C)CN(Cc2csc(NC(=O)[C@H](C)NC(=O)OCc3ccccc3)n2)C1 22296322 RSYHFVJLXYXRMO-BBWFWOEESA-N 430.574 3.874 0 40 IHAB O=C(c1nc(-c2cccs2)n(-c2cccc(F)c2)n1)N1CCN(c2nccs2)CC1 24497928 XIBTYFVRYXURCQ-UHFFFAOYSA-N 440.529 3.554 0 40 IHAB Cc1cc(C)cc(N(C(=O)Cn2cnc3c(cnn3C)c2=O)c2nc3ccccc3s2)c1 24951125 HVHOAJXMFIEXSD-UHFFFAOYSA-N 444.520 3.721 0 40 IHAB CCNS(=O)(=O)c1ccc(C(=O)N2CCc3sccc3[C@@H]2c2ccccc2)cc1 25898399 CPZISKIRSLJRRS-NRFANRHFSA-N 426.563 3.834 0 40 IHAB NC(=O)[C@@H]1CC(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)=NN1c1ccc(F)cc1 30564711 BGDSKZHSRXPVHJ-ZDUSSCGKSA-N 449.920 3.723 0 40 IHAB Cc1nc(-c2ccc(CCNC(=O)[C@H]3CCCN(C(=O)c4ccoc4)C3)s2)cs1 30572456 NQCQFMNRYAKDTF-HNNXBMFYSA-N 429.567 3.984 0 40 IHAB CCOc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)cc1 30815514 UMHGHKKTYHOSSG-SJLPKXTDSA-N 436.599 3.733 0 40 IHAB O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)[C@@H]1CC(=O)N(CCOc2ccccc2)C1 30952695 ZJPAKCQSTMMHSY-GOSISDBHSA-N 436.508 3.984 0 40 IHAB CCOc1ccc(N2C[C@@H](C(=O)N[C@@H](CC(=O)OC)c3ccc(Cl)cc3)CC2=O)cc1 30993022 VZHACZYUJYNUOB-JXFKEZNVSA-N 444.915 3.512 0 40 IHAB O=C(NC1CC1)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccccc2F)cc1 32760605 QESNYFNHJLZKSI-UHFFFAOYSA-N 428.485 3.702 0 40 IHAB O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(C(=O)c2ccccc2)cc1 33771203 BRDOKRFIOOWEFV-XMMPIXPASA-N 432.495 3.860 0 40 IHAB CCc1nc(C)c2c(C)c(C(=O)Nc3cc(OC)c(OC)cc3C(=O)OC)sc2n1 36396834 PTRBLYZIUVDTAB-UHFFFAOYSA-N 429.498 3.927 0 40 IHAB Cc1cccc(-n2c(SCc3nccn3Cc3ccccc3)nnc2N2CCOCC2)c1 40067316 OFDYIYJZFHEQLV-UHFFFAOYSA-N 446.580 3.949 0 40 IHAB CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)c2ccc3c(c2)C(=O)N(C)C3=O)CC1 40139129 OLXCVXBZQZDHIH-NRFANRHFSA-N 448.519 3.502 0 40 IHAB COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4cccc(OC)c4)cc3)CC2)cc1 40717374 HREHAXWIKLBNGU-UHFFFAOYSA-N 445.519 3.919 0 40 IHAB COc1ccc2c(c1)CCN=C2C[C@H]1CN(C(=O)Cc2cccs2)CC[C@H]1CC(=O)O 49590461 CDOGUVHOXXZKGI-WMZOPIPTSA-N 440.565 3.674 0 40 IHAB biogenic,in-vitro CCCC[C@H](c1nnnn1Cc1ccco1)N1CCN(c2nc3ccccc3s2)CC1 57671202 MSFDIKOBGKIWDE-LJQANCHMSA-N 437.573 3.978 0 40 IHAB Cc1csc(-c2cccc(NCC(=O)Nc3ccc(C)c(S(=O)(=O)N(C)C)c3)c2)n1 58282114 DULHZIGIIUREFG-UHFFFAOYSA-N 444.582 3.728 0 40 IHAB COc1cc(NC(=O)Cn2cc(-c3nc(-c4cccc(C)c4)no3)ccc2=O)cc(OC)c1 67289528 WLQALQQHXKWZNR-UHFFFAOYSA-N 446.463 3.530 0 40 IHAB CC(=O)c1cccc(NC(=O)Cn2nnc(C(=O)Nc3cccc(C(F)(F)F)c3)c2C)c1 67323006 GVCCSDWRGADPKL-UHFFFAOYSA-N 445.401 3.699 0 40 IHAB O=S(=O)(Nc1nccs1)c1cccc(NS(=O)(=O)c2ccc(F)cc2Cl)c1 72313000 YBDWUBDATUJCBW-UHFFFAOYSA-N 447.922 3.537 0 40 IHAB Cc1cc(C)nc(Nc2cccc([C@H]3CCCN3C(=O)c3ccc4c(c3)OCCO4)n2)n1 72375170 LGRDVXHQDBGGPS-LJQANCHMSA-N 431.496 3.981 0 40 IHAB COc1ccc(-n2ccc(C(=O)N[C@@H](C)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2)cc1 95393870 VKKNHQYVQHYCQE-IRXDYDNUSA-N 428.533 3.646 0 40 IHAB Cc1ccc(N2C(=O)[C@@H]3N=NN(CC(=O)Nc4cccc(Cl)c4C)[C@H]3C2=O)cc1Cl 100036787 RMWSXCFYCONVBX-QZTJIDSGSA-N 446.294 3.542 0 40 IHAB CN(c1ccc(C(=O)NCc2ccccc2-n2ccnc2)cc1)S(=O)(=O)c1ccccc1 216332071 JMCIIKIZAHODRI-UHFFFAOYSA-N 446.532 3.627 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)N2c3ccccc3C[C@H]2C)CC1 222592490 WTLVXPPRXKEPPF-OAHLLOKOSA-N 448.972 3.727 0 40 IHAB C[C@@H](C(=O)NCc1cccc(C(F)(F)F)c1)N(c1ccc(Cl)cc1)S(C)(=O)=O 223270723 DNFHIWMXOQSFCJ-LBPRGKRZSA-N 434.867 3.830 0 40 IHAB Cc1cccc(OCCNC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)c1C 223952524 RCUANLDJALOEAA-UHFFFAOYSA-N 430.570 3.677 0 40 IHAB COC(=O)c1ccc(OC)c(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)c1 223970825 OOIKSCLHJYCBEC-UHFFFAOYSA-N 440.477 3.535 0 40 IHAB COc1ccc(OC)c([C@H](C)NC(=O)CCCN(c2cc(C)ccc2C)S(C)(=O)=O)c1 225612772 WBVQANAGFRFCJG-SFHVURJKSA-N 448.585 3.744 0 40 IHAB O=C(NCc1cccnc1)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(Cl)cc1 225864185 XUXNZEMOGBUGSW-UHFFFAOYSA-N 441.940 3.807 0 40 IHAB CC(=O)N[C@H]1CC[C@](CNC(=O)C(C)(C)c2cccc(F)c2)(c2ccccc2)CC[C@@H]1O 257201403 AHOKGGSOMVEEPX-FXSPECFOSA-N 440.559 3.597 0 40 IHAB CC1(C)Oc2c(O)cccc2[C@H]2O[C@H]3CCN(Cc4ccccc4OCC(=O)O)[C@@H]3C[C@@H]21 257244770 IMROCMINRZZZOO-KXXHFCIOSA-N 439.508 3.747 0 40 IHAB CN(C(=O)CN1CCO[C@H](c2cccc(Nc3ccc(F)cn3)n2)C1)C1CCCCC1 257255936 KJLWLNQEPIXKPF-FQEVSTJZSA-N 427.524 3.524 0 40 IHAB Nc1ccc(C(=O)N2CCO[C@H](c3cccc(Cc4ccccc4C(F)(F)F)n3)C2)cn1 257256821 KNAQRTRRFQQIKV-FQEVSTJZSA-N 442.441 3.882 0 40 IHAB CC(C)N1CCC(C(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H](N3CCCC3)CC2)CC1 257318353 VNNSTDHLZDMGQF-KLJDGLGGSA-N 441.660 3.560 0 40 IHAB COc1ccc(CN2CCO[C@@]3(CN(Cc4cccs4)C[C@H]3c3cccnc3)C2=O)cc1 306141388 VUEBYPPTLUMWSP-UKILVPOCSA-N 449.576 3.549 0 40 IHAB COc1ccc(C)cc1NC(=O)c1ccc(OC)c(S(=O)(=O)NC2CCCCC2)c1 408675121 GNVZBGXLSNOCGH-UHFFFAOYSA-N 432.542 3.876 0 40 IHAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)NCc2ccccc2)CC1 408700762 LKOKBNLFWQCPPJ-UHFFFAOYSA-N 430.570 3.536 0 40 IHAB CCc1ccccc1NC(=O)CSc1nnc(CNC(=O)c2ccccc2C)n1CC 409061763 HRBCMXIJBSNZQI-UHFFFAOYSA-N 437.569 3.830 0 40 IHAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(Br)c2)cc1 409195388 PGURIFVYKIVKFA-ZDUSSCGKSA-N 441.347 3.543 0 40 IHAB CN1CCN(C(=S)c2ccc(OCC(=O)Nc3ccc(Cl)cc3Cl)cc2)CC1 409235000 ALJXHGXEFRHQLC-UHFFFAOYSA-N 438.380 3.934 0 40 IHAB C[C@@H]1Oc2ccc(C(=O)C3CCN(C(=O)[C@H]4CCC(=O)c5ccccc54)CC3)cc2NC1=O 559563021 DKNJLIIUNNRRDN-YWZLYKJASA-N 446.503 3.588 0 40 IHAB CCN1CCN(C(=O)c2cnc(C)nc2C)[C@@H](Cc2ccccc2-c2ccc(F)cc2)C1=O 585169007 LPBZRLCYTLPSJB-DEOSSOPVSA-N 446.526 3.815 0 40 IHAB Cc1nccn1Cc1ccccc1C(=O)N1C[C@@H](c2ccccc2)[C@@]2(CCCCC(=O)N2)C1 585261689 JYWAPSKLCRQVIJ-RPLLCQBOSA-N 442.563 3.908 0 40 IHAB CCOC(=O)c1c(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)sc(C(C)=O)c1C 846863 MGVFZEKIGOBDNH-UHFFFAOYSA-N 443.477 3.868 0 40 IHAB biogenic O=C(Nc1ccccc1C(=O)NCCc1ccccc1)c1ccc(CN2CCOCC2)cc1 1016096 WVNCDUZRRXKLQQ-UHFFFAOYSA-N 443.547 3.744 0 40 IHAB C[C@](O)(CS(=O)(=O)Cc1ccc(Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 1388639 MJIOXURBVHAXRI-KRWDZBQOSA-N 435.851 3.663 0 40 IHAB COc1ccc(C2=NO[C@@H](C(=O)c3ccccc3)[C@@]23C(=O)Nc2ccccc23)cc1OC 2114945 PCGRSFBRAKJUFB-ZCYQVOJMSA-N 428.444 3.580 0 40 IHAB biogenic Cc1cc(C)c[n+](-c2nc3ccccc3nc2NS(=O)(=O)c2ccc(Cl)cc2)c1 2338328 XUTHZIYTMNQCEP-UHFFFAOYSA-N 425.921 3.978 0 40 IHAB COc1cc(C(=O)Nc2ncc3c(n2)C[C@H](c2ccc(C)cc2)CC3=O)cc(OC)c1OC 2377420 CELQMMHKSJXZKO-INIZCTEOSA-N 447.491 3.976 0 40 IHAB CCOc1ccc(NC(=O)CSc2nnc(-c3cnccn3)n2-c2ccccc2)cc1 2435169 LIGBCDQNNQTVPM-UHFFFAOYSA-N 432.509 3.854 0 40 IHAB CCOC(=O)[C@@H](C)Oc1cccc2c(=O)n(CC(=O)Nc3ccc(Cl)cc3)ccc12 2712298 FOCLRPUVTPCPLO-CQSZACIVSA-N 428.872 3.624 0 40 IHAB CCc1ccc(-n2c(=O)c3ccccc3n3c(SCC(=O)NC(C)(C)C)nnc23)cc1 3530615 RABJQJXBSQRRTC-UHFFFAOYSA-N 435.553 3.603 0 40 IHAB COc1ccc(C(=O)NCc2ccccc2)cc1S(=O)(=O)N1CCCc2ccccc21 8671206 LFEJHCUKAFUVFS-UHFFFAOYSA-N 436.533 3.767 0 40 IHAB aggregator O=C(Nc1ccc2nc(SCC(=O)N3CCOCC3)sc2c1)c1cccc(F)c1 8673881 YLHCRKLGFAAPGF-UHFFFAOYSA-N 431.514 3.639 0 40 IHAB Cc1cc2oc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)cc(=O)c2cc1C 8868783 HKERQTYIHSGYAL-UHFFFAOYSA-N 440.521 3.837 0 40 IHAB Cc1c(CCC(=O)Nc2nnn[nH]2)c(=O)oc2cc3occ(-c4ccc(F)cc4)c3cc12 9051030 XPRGBLQECBANSN-UHFFFAOYSA-N 433.399 3.738 0 40 IHAB CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CC)cc1F 9166559 ZHHWQRMGPZHSQN-UHFFFAOYSA-N 436.505 3.797 0 40 IHAB CCN1CCN(c2ccc(NC(=O)C3CCN(C(=O)Nc4ccccc4)CC3)cc2)CC1 9209116 NRZGFIACLNUSRY-UHFFFAOYSA-N 435.572 3.711 0 40 IHAB COc1ccc(CNc2nc(-c3cccnc3)nn2C(=O)c2ccc(OC)c(OC)c2)cc1 9288800 NEAPSASEETWLBD-UHFFFAOYSA-N 445.479 3.667 0 40 IHAB COc1cc(OC)cc(C(=O)Nc2nnc(SCC(=O)Nc3ccc(F)cc3)s2)c1 9365796 VQHZQAHNFGHAOF-UHFFFAOYSA-N 448.501 3.678 0 40 IHAB COc1ccc(CC(=O)Nc2nnc(SCC(=O)c3ccccc3)s2)cc1OC 9391024 UKMGGOVTQSQZDW-UHFFFAOYSA-N 429.523 3.712 0 40 IHAB CCC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)nc(CCn2ccnc2C)n3C)cc1 9410731 FYGVFINAAMHBRQ-UHFFFAOYSA-N 430.512 3.922 0 40 IHAB COc1cccc(OC)c1C(=O)Nc1c2c(nn1-c1cccc(C)c1C)C[S@@](=O)C2 9413811 LJCNFMGDJHCHSK-SSEXGKCCSA-N 425.510 3.521 0 40 IHAB COc1ccc(-c2cc3ncn(CC(=O)Nc4ccc5c(c4)OCO5)c(=O)c3s2)cc1 9451735 AXVVZNONFJSIQN-UHFFFAOYSA-N 435.461 3.501 0 40 IHAB Cc1ccccc1Nc1nc(N)nc(COC(=O)c2ccccc2NC(=O)c2ccco2)n1 9492445 XOSVMCSXXQLNGT-UHFFFAOYSA-N 444.451 3.708 0 40 IHAB O=C(CSc1ccc2nnc(-c3ccncc3)n2n1)Nc1ccc(C(F)(F)F)cc1 9599846 PKCFNURGJOXWMF-UHFFFAOYSA-N 430.415 3.936 0 40 IHAB CCOc1ccc(N2C[C@H](C(=O)Nc3ccc(N4CCCC4=O)c(Cl)c3)CC2=O)cc1 11141025 CYYUYMRVDXHXFB-OAHLLOKOSA-N 441.915 3.857 0 40 IHAB O=C(COc1ccccc1F)Nc1ccc2c(c1)CN(S(=O)(=O)c1ccccc1)CC2 11613151 BUAOCGAPXNMUGB-UHFFFAOYSA-N 440.496 3.590 0 40 IHAB O=C(CSc1nnnn1Cc1ccco1)N1c2ccccc2OC[C@H]1c1ccccc1 11742478 JFBYRIGFUXWTQD-IBGZPJMESA-N 433.493 3.573 0 40 IHAB O=C(NCC(=O)N1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 12389712 VMVPZMIEYPFXMM-UHFFFAOYSA-N 434.323 3.601 0 40 IHAB COc1ccccc1-n1cnnc1SCC(=O)N1CCS[C@H]1c1ccccc1F 12554083 WBSHTXUMOBRURQ-IBGZPJMESA-N 430.530 3.781 0 40 IHAB COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)c2c(C)oc(C)c2C)c1 12605011 ONHAHRNFTCTECN-UHFFFAOYSA-N 430.482 3.972 0 40 IHAB CCOc1ccccc1N1CCN(CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)CC1 12769477 XEPNGMXBIAIITM-UHFFFAOYSA-N 433.556 3.649 0 40 IHAB Cc1oc2nc(SCC(=O)NCC(F)(F)F)nc(NC(=O)c3ccccc3)c2c1C 12909738 NZJYWIIYYIFBON-UHFFFAOYSA-N 438.431 3.863 0 40 IHAB COc1ccc(OC)c([C@H]2CC(=O)Nc3nc(SCc4cccc(F)c4)[nH]c(=O)c32)c1 13567400 SXHRWJMYQYHEBZ-MRXNPFEDSA-N 441.484 3.693 0 40 IHAB COc1cc(C)c(C(=O)CSc2nnc(CC(=O)Nc3ccc(F)cc3)n2C)cc1C 13568946 DJQJFQHVDACUJF-UHFFFAOYSA-N 442.516 3.736 0 40 IHAB CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2ncnc3nc[nH]c23)sc2c1CCCC2 13572731 WRRNDMUDDUHSFC-SNVBAGLBSA-N 431.543 3.589 0 40 IHAB CCNC(=O)COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 13585440 HDPKSXJJOZKLNB-UHFFFAOYSA-N 438.549 3.905 0 40 IHAB Cc1cccc(N(Cc2ccc(C(=O)NCCN3CCCCCC3)cc2)S(C)(=O)=O)c1 13679007 GISZNGRQGRILAI-UHFFFAOYSA-N 443.613 3.567 0 40 IHAB COc1ccc2c(c1)OC1(CCN(C[C@@H](O)c3ccc(Br)cc3)CC1)C[C@H]2O 13998241 WFMHTROHQNRTAM-WOJBJXKFSA-N 448.357 3.842 0 40 IHAB COc1ccc(-c2nnc(SCC(=O)N[C@H](C)c3ccc4c(c3)CCCC4)n2N)cc1 14125642 NVYOIMWMZZCNCI-OAHLLOKOSA-N 437.569 3.516 0 40 IHAB O=C(Nc1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 14246343 ARABHLUSGPQBIK-UHFFFAOYSA-N 447.866 3.897 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cccc(C(F)(F)F)c3)CC2)cc1 14789981 RHPLWNNCTJUFNY-UHFFFAOYSA-N 440.487 3.731 0 40 IHAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(S(=O)(=O)N(C)C(C)C)cc1 15611875 WLTSPHGLCSKWSE-QFIPXVFZSA-N 441.553 3.618 0 40 IHAB CC(C)Cn1c(CCC(N)=O)nnc1S[C@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1 17274345 UIHQMBLIVFUSRF-LLVKDONJSA-N 444.388 3.778 0 40 IHAB Cc1ccc(C(=O)N2CCc3nc([C@H]4CCCN4C4CCCCC4)[nH]c(=O)c3C2)s1 19217029 LBGHUHADMHABPQ-LJQANCHMSA-N 426.586 3.808 0 40 IHAB COc1ccc(CC(=O)N2CCC([C@@H]3C[C@H](C(F)F)n4nc(C)cc4N3)CC2)cc1C 19571050 BNEAOVMEHMZTGP-RBUKOAKNSA-N 432.515 3.980 0 40 IHAB COc1ccc(-c2cc(C)nc([C@H]3CCCN3S(=O)(=O)c3c(C)n[nH]c3C)c2)cc1 19690782 HAKFFNFFISAQOF-OAQYLSRUSA-N 426.542 3.931 0 40 IHAB CCS(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1 20062745 WCKOIUBCZABDCS-UHFFFAOYSA-N 429.542 3.717 0 40 IHAB O=C(Nc1cccc(-c2nn3cnnc3s2)c1)c1ccccc1I 21124217 ZAIVUYJLRSLJRG-UHFFFAOYSA-N 447.261 3.710 0 40 IHAB CCCCCNC(=O)COc1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 22232314 KHSFYOZVTMYOTI-UHFFFAOYSA-N 438.977 3.991 0 40 IHAB CCn1c(C)cc(O)c([C@@H](c2ccccc2Cl)N2CCN(c3ccccn3)CC2)c1=O 22696990 IJOSRYPNQLHYJV-HSZRJFAPSA-N 438.959 3.842 0 40 IHAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)NCC1(N2CCN(C)CC2)CCCCC1 22935617 SGZFTMDJOYVVIA-UHFFFAOYSA-N 430.593 3.938 0 40 IHAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)OC(=O)c1cc2c(s1)CCCCC2 23564852 BXZXXOAJMLGPSE-MRXNPFEDSA-N 428.554 3.934 0 40 IHAB CC(C)(C)OC(=O)NC1(CNC(=O)c2ccc(Cn3cncn3)cc2)CCCCCC1 24496125 LGBFLFKKKVPKNA-UHFFFAOYSA-N 427.549 3.674 0 40 IHAB COc1cccc(/C=C/C(=O)N2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)c1 24496401 TUSTXCGIRHXOAP-BJMVGYQFSA-N 438.915 3.756 0 40 IHAB COc1ccc(-c2nc(C(=O)OCCCn3c(=O)[nH]c4ccccc43)cs2)cc1OC 25842737 JSKNEFWGNSUJIZ-UHFFFAOYSA-N 439.493 3.717 0 40 IHAB Cc1cc(C)n(Cn2ccc(C(=O)Nc3cnn(Cc4cccc(C(F)(F)F)c4)c3)n2)n1 28231261 BKFIRZZLPZTWJT-UHFFFAOYSA-N 443.433 3.718 0 40 IHAB CN(C)S(=O)(=O)c1ccc2oc(SCc3cc(Cl)cc4c3OCOC4)nc2c1 29876807 LCHRVJYEQLFPCB-UHFFFAOYSA-N 440.930 3.890 0 40 IHAB Cc1cccc(CNC(=O)C2CCN(S(=O)(=O)Cc3c(F)cccc3Cl)CC2)c1 30858804 XPZMEJOUBSCJKM-UHFFFAOYSA-N 438.952 3.646 0 40 IHAB CCOc1ccc(NC(=O)c2cccc3c4c([nH]c23)CCCC4)cc1S(=O)(=O)N(C)C 32421703 ZOHKVRZNFKSINN-UHFFFAOYSA-N 441.553 3.948 0 40 IHAB O=C(CCn1cnc2ccccc2c1=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2 32492913 IKJSLFIXORNHQG-UHFFFAOYSA-N 447.516 3.853 0 40 IHAB CCS(=O)(=O)N1CCC(NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)CC1 32907650 ZILXLPNMTGSQSA-UHFFFAOYSA-N 439.537 3.553 0 40 IHAB CCc1ccc(S(=O)(=O)c2c(C(=O)N3CCSCC3)cnc3ccccc23)cc1 33249269 DFTQFWCCHYKXIB-UHFFFAOYSA-N 426.563 3.819 0 40 IHAB C[C@H](CCc1ccccc1)NC(=O)c1ccc(Oc2nccnc2N2CCOCC2)cc1 33296797 KVLLXFAKZFRULN-LJQANCHMSA-N 432.524 3.857 0 40 IHAB COc1ccccc1NC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2C)cc1 33572792 HNWFQZLAPHICIF-UHFFFAOYSA-N 426.494 3.822 0 40 IHAB COc1ccccc1-n1c(SCC(=O)NCc2cccs2)nnc1-c1ccccn1 35290455 XHECPVVLOITGPF-UHFFFAOYSA-N 437.550 3.808 0 40 IHAB Cc1noc2nc(C(C)C)cc(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)c12 36359269 IOLHLYIPRVOCPO-UHFFFAOYSA-N 430.511 3.920 0 40 IHAB O=C1/C(=C/Nc2ccc3c(c2)OCO3)c2ccccc2C(=O)N1Cc1ccc2c(c1)OCO2 38178171 SMYLCQWLMITFNX-YBFXNURJSA-N 442.427 3.780 0 40 IHAB O=C(Nc1ccccn1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2ccccc2c1 40040363 QYPQDJKIGDYPBK-JOCHJYFZSA-N 431.517 3.763 0 40 IHAB COc1cc(CNC(=O)c2cncc(Br)c2)ccc1OCc1ccncc1 48345499 OEIUYMZYKMRYNZ-UHFFFAOYSA-N 428.286 3.757 0 40 IHAB COc1ccc(-n2c(=O)c3sccc3n(Cc3nc(-c4cccc(C)c4)no3)c2=O)cc1 48985859 PVAWGVUEPKOEQC-UHFFFAOYSA-N 446.488 3.629 0 40 IHAB O=C(NC[C@@H]([C@@H]1CCOC1)N1CCCC1)Nc1cccc(NC(=O)c2cccs2)c1 58167343 ASJZOEWOQOKTKL-APWZRJJASA-N 428.558 3.623 0 40 IHAB CCOc1ccc(Cl)c(C(=O)NCCC(=O)Nc2cc(Br)ccc2C)n1 60307646 JXSZJKXYMWNXFW-UHFFFAOYSA-N 440.725 3.963 0 40 IHAB COc1cccc(CNC(=O)c2nsc(C(=O)N3CC=C(c4ccccc4)CC3)c2N)c1 65118391 UUZISTQLOMJPSP-UHFFFAOYSA-N 448.548 3.593 0 40 IHAB Cc1nc(-c2ccc(C(F)(F)F)cc2)n(CC(=O)Nc2ccc(F)cc2)c(=O)c1CCO 67301248 JZBPPNQOPXMMKH-UHFFFAOYSA-N 449.404 3.550 0 40 IHAB Cc1nn(C)c(C)c1[C@H](NC(=O)[C@@H](C)Oc1ccc(Br)cc1)C(F)(F)F 78968486 DMBUOKKGQRBEHD-ABAIWWIYSA-N 434.256 3.987 0 40 IHAB O=C(Cn1cc(Br)ccc1=O)Nc1c(O)c(Cl)cc(Cl)c1Cl 89765127 REEGNLTUNCKDSM-UHFFFAOYSA-N 426.481 3.915 0 40 IHAB O=C(C[C@@H]1CC2(CCN(C(=O)COc3ccccc3)CC2)Oc2ccccc21)NC1CC1 96243210 HXPSYGAMEBXFMO-LJQANCHMSA-N 434.536 3.662 0 40 IHAB CCn1c(SCC(=O)Nc2ccccc2)nnc1[C@H](C)NC(=O)c1ccc(OC)cc1 101164422 PAUOQKRAJVZRHI-HNNXBMFYSA-N 439.541 3.528 0 40 IHAB COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@@H]3N3CCCN23)cc1 102684300 HTXFPJPGGJPTLZ-CEXWTWQISA-N 432.307 3.538 0 40 IHAB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 102829998 KOOYBPSPEFYTKQ-BULFRSBZSA-N 447.535 3.634 0 40 IHAB O=C(O)c1ccc(-c2ccc(/C=C3\SC(=O)N(CC(=O)N4CCCCC4)C3=O)o2)cc1 106770176 YPGGZBPJYFWELI-PDGQHHTCSA-N 440.477 3.694 0 40 IHAB CCc1cccc(C)c1NC(=O)CSc1nnc(CNC(=O)c2ccc(C)cc2)n1C 107660812 UCTSNENTAWTGIN-UHFFFAOYSA-N 437.569 3.655 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)c2ccccc2OC)cc1 113937894 VKBLRQRTBFLDEL-UHFFFAOYSA-N 426.494 3.538 0 40 IHAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 216324293 QXVYOCLZBIUNQY-KRWDZBQOSA-N 435.502 3.879 0 40 IHAB CCN1c2cc(OC)c(OC)cc2C(C)=C(C(=O)Nc2ccc(F)c(F)c2)S1(=O)=O 219195624 XMMWXONAJYEOHY-UHFFFAOYSA-N 438.452 3.521 0 40 IHAB Cc1nccn1-c1ccccc1CNC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1 223678760 XGTNXLUHYIVZLN-JWGURIENSA-N 426.476 3.861 0 40 IHAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)COc1ccc(OC)cc1 223809325 AXYYCZWBENCDJE-JOCHJYFZSA-N 430.520 3.937 0 40 IHAB Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)OCCO3)c1 224119481 ILOWZWXRGCPAIH-UHFFFAOYSA-N 438.505 3.844 0 40 IHAB CC[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1ccc(OC)c(C)c1 224487485 LGDYPZIPMOCYIC-MSOLQXFVSA-N 436.599 3.733 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(OCc3ccccc3)cc2)cc1F 225109376 GDCKGTOSIIVVJB-UHFFFAOYSA-N 445.468 3.693 0 40 IHAB Cc1nc(-c2ccc(S(=O)(=O)NC[C@](O)(c3ccco3)c3cccs3)cc2)co1 225591306 SCXOTQLLZIFTJK-FQEVSTJZSA-N 430.507 3.519 0 40 IHAB COc1ccc(N2C(=O)[C@@H]3[C@@H](C(=O)C(C)(C)C)N4c5ccccc5C=C[C@@H]4[C@@H]3C2=O)cc1 248121383 DWVUYDLNFHGLKI-MLNNCEHLSA-N 430.504 3.700 0 40 IHAB CC1(C)Oc2c(O)cccc2[C@H]2OCC3(CCN(C(=O)c4cnn5cccnc45)CC3)C[C@@H]21 257246767 IVTLMXWMHHTFSQ-AZUAARDMSA-N 448.523 3.606 0 40 IHAB COc1ccccc1[C@@H]1CN(C(=O)c2cccnc2Oc2ccc(C)nc2)CCN1C(C)=O 257263090 LOIWBJJRPIGOOJ-QFIPXVFZSA-N 446.507 3.632 0 40 IHAB COc1cc(N2CCOCC2)c(OC)cc1[C@H]1C[C@@](C)(NC(C)=O)[C@@H]2CC[C@@H](C)C[C@H]2O1 257281467 OPIIWYPOZWYNMO-KSPZJOKLSA-N 446.588 3.701 0 40 IHAB Cc1onc(C(C)C)c1C(=O)N1CCC(COc2cccc(Cl)c2)(CC(N)=O)CC1 257287144 POSIDBOXOUUJFE-UHFFFAOYSA-N 433.936 3.937 0 40 IHAB COc1ccc(F)cc1-c1ccc2nc([C@H]3CCCN(C(=O)c4ccccn4)C3)nn2c1 306131151 JXVROTGRFRCMNR-KRWDZBQOSA-N 431.471 3.959 0 40 IHAB CCN(CC)c1cc2c(cc1NC(=O)c1cccc(Br)c1)n(C)c(=O)n2C 408532948 NIGVWYVFRJHNTC-UHFFFAOYSA-N 431.334 3.738 0 40 IHAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1Cl 408584367 OTNFZHDAKPFXCD-UONOGXRCSA-N 429.369 3.798 0 40 IHAB COc1ccc(CN(C)C(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1 408624133 FNRGSPWILZZMRE-UHFFFAOYSA-N 438.549 3.934 0 40 IHAB CCc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 408664674 QVCIAXWAOLPVDQ-BSWISCRUSA-N 446.503 3.580 0 40 IHAB COc1ccc(OC)c(NC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H]([C@@H]6C[C@H]56)[C@H]4C3=O)cc2)c1 408673728 UMURVGJWRQOQKY-BVPHUKPHSA-N 444.487 3.514 0 40 IHAB CCc1cccc(C)c1NC(=O)CSc1nnc(CC(=O)Nc2ccc(C)cc2)n1C 409346831 OGRKEXHUNRRPOI-UHFFFAOYSA-N 437.569 3.906 0 40 IHAB COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](O)c1ccc(-c2cccs2)s1 585148045 MWGASTNMILSNNZ-ZDUSSCGKSA-N 436.942 3.927 0 40 IHAB Cc1csc(Nc2cc([C@H]3CCN(C(=O)/C=C/c4c(C)nn(C)c4C)C3)nc(C)n2)n1 585293298 ZESQHCZHGJCOHL-LXXRFIIISA-N 437.573 3.673 0 40 IHAB CCCOc1ccc(-c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)o2)cc1OCC 1257629352 GHSIWRLRCLPBBZ-UHFFFAOYSA-N 431.514 3.841 0 40 IHAB CCOc1ccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(O)c(OCC)c2)cc1 708964 PDOWGVZMOOIJJC-FQEVSTJZSA-N 427.526 3.621 0 40 IHAB CCc1ccc(OCc2nnc(SCC(=O)Nc3nnc(CC)s3)n2CC)cc1 916126 HRBGTKHOLMDBDG-UHFFFAOYSA-N 432.575 3.584 0 40 IHAB COC(=O)c1cccc(CN2C(=O)S[C@H](Nc3ccc(Br)cc3)C2=O)c1 2326662 IZFRXQZPXKZHDE-HNNXBMFYSA-N 435.299 3.869 0 40 IHAB Cc1nn(-c2ccccc2)c2sc(C(=O)OCC(=O)c3ccc4c(c3)NC(=O)CO4)cc12 3229205 UCKOMWIQAWHHDI-UHFFFAOYSA-N 447.472 3.766 0 40 IHAB O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1ccc(N2CCOCC2)cc1 3268713 RUIBBCAHQXEIKC-UHFFFAOYSA-N 426.567 3.747 0 40 IHAB CCOC(=O)c1c(C2CC2)csc1NC(=O)CSc1nnc([C@H](CC)N(C)C)o1 3349093 MZYBKGVYSLPDGT-ZDUSSCGKSA-N 438.575 3.929 0 40 IHAB Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)N3CCCC3)cc2c1 6301150 CUOMHDUCJMTDGF-JOCHJYFZSA-N 432.503 3.504 0 40 IHAB COc1ccc(C(=O)CN2C(=O)NC(Cc3ccccc3)(Cc3ccccc3)C2=O)cc1 8746229 GIQBARKAFIYBMI-UHFFFAOYSA-N 428.488 3.654 0 40 IHAB CCSc1nc(NCC(C)C)c2cnn(CCNC(=O)c3ccc(F)cc3F)c2n1 8949073 BVBSCZAUTSLALK-UHFFFAOYSA-N 434.516 3.714 0 40 IHAB COc1ccc(OCCSc2nnc(CC(=O)Nc3ccc(C)cc3C)n2C)cc1 9262146 NNEDNHMDZCBDEV-UHFFFAOYSA-N 426.542 3.793 0 40 IHAB Cc1c(NC(=O)[C@H](C)Sc2ccc3c(c2)OCCCO3)c(=O)n(-c2ccccc2)n1C 9575463 DVZALXACYORLGL-INIZCTEOSA-N 439.537 3.765 0 40 IHAB CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)COc2ccc(Cl)cc2Cl)n1 9660366 ALVVIVILYVDWEB-UHFFFAOYSA-N 436.299 3.541 0 40 IHAB Cc1cc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)ccc1Br 9676670 IRBYHEICBYQGDH-UHFFFAOYSA-N 435.343 3.857 0 40 IHAB COc1ccc(NC(=O)CSc2nccn(-c3ccc(F)c(Cl)c3)c2=O)c(OC)c1 9761383 PREZJMLWAZNWJP-UHFFFAOYSA-N 449.891 3.773 0 40 IHAB CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(C)c3)C(=O)N2C(C)C)cc1 9934032 XSSDHBVTAHEYBO-FQEVSTJZSA-N 437.496 3.746 0 40 IHAB CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1 10253082 XDFLHCYXYACILI-UHFFFAOYSA-N 430.507 3.514 0 40 IHAB COC(=O)c1c(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2C)sc2c1CCC2 10263882 MTYMYGPITJXMEH-UHFFFAOYSA-N 442.566 3.858 0 40 IHAB COc1ccc(-c2c(C)nn3c(O)cc(CSc4nnc(C)s4)nc23)cc1OC 10338923 HCDWWRBLKDOVDK-UHFFFAOYSA-N 429.527 3.880 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccc(C)c3)s2)cc1 11617400 UVDLGNIOAIIBNR-UHFFFAOYSA-N 430.555 3.796 0 40 IHAB Cc1cccc(-n2c(S[C@H](C)c3nc(C(C)(C)C)no3)nnc2N2CCOCC2)c1 12527638 FXXKDJCJCKPUQQ-OAHLLOKOSA-N 428.562 3.946 0 40 IHAB O=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1CC(=O)N1CCCc2ccccc21 12568761 YVOYSUKCQQFJLS-MHZLTWQESA-N 439.515 3.656 0 40 IHAB Cc1ccc(NC2=NN=C(c3ccc4c(c3)C[C@@H](C)N4S(C)(=O)=O)CS2)cc1C 12608843 MJTMZFUFTBFYNL-OAHLLOKOSA-N 428.583 3.933 0 40 IHAB O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl)c1cc(F)c(F)c(F)c1F 12615571 PUJJXCWKJUQWDP-UHFFFAOYSA-N 436.814 3.933 0 40 IHAB COc1ccc(CN2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)cc1OC 12805568 HOGIXAMOOPOCSQ-UHFFFAOYSA-N 445.368 3.517 0 40 IHAB C[C@H](NC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O)c1ccccc1Br 12994724 GGTGZSUIPWMTHU-STQMWFEESA-N 437.359 3.651 0 40 IHAB O=C(Nc1ccc2c(c1)OCO2)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 13068241 IQILAMZPRLEOMO-UHFFFAOYSA-N 436.489 3.809 0 40 IHAB Cc1nnc(Sc2nc(CN3CCOCC3)nc3scc(-c4cccs4)c23)n1C 13117403 GQCJYVHHALBWEM-UHFFFAOYSA-N 444.611 3.840 0 40 IHAB CC[C@@H]1CCCCN1C(=O)CN1C(=O)N[C@](c2ccccc2)(c2ccc(C)c(C)c2)C1=O 13165187 LAFMZWMMAVORGX-ATIYNZHBSA-N 433.552 3.890 0 40 IHAB Cc1cc(NC(=O)CCSc2nnc3n(CCC(C)C)c(=O)c4ccccc4n23)no1 14050039 GWNOXLLEYQQQQY-UHFFFAOYSA-N 440.529 3.508 0 40 IHAB O=C(OCc1ccc(-c2ccccc2)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 14424240 VEKOEASQUOZRJH-UHFFFAOYSA-N 437.517 3.732 0 40 IHAB CCCNC(=O)[C@H](C)Sc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCC3 15849534 YVYDIXIMRRHZDQ-ZDUSSCGKSA-N 443.594 3.951 0 40 IHAB COc1ccc(CN2CCC(NC(C)=O)(c3ccccc3F)CC2)cc1Cn1cccn1 19021087 JYUCPDAGZQGPNZ-UHFFFAOYSA-N 436.531 3.707 0 40 IHAB O=C(c1cc(C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)no1)N1CCC[C@@H](O)C1 19292861 NUSVARYXUHQPKD-MRXNPFEDSA-N 438.355 3.958 0 40 IHAB O=C(c1cccs1)N1CCc2nc([C@@H]3CCCN(CC4CCCCC4)C3)[nH]c(=O)c2C1 19342775 LCXMUTOTOIQKOV-GOSISDBHSA-N 440.613 3.790 0 40 IHAB CCc1ncc(CN2CCN(CC)C(=O)[C@@H](Cc3ccccc3-c3cccnc3)C2)cn1 19523434 WSVBUFYIEVVGAG-QHCPKHFHSA-N 429.568 3.624 0 40 IHAB COCc1ccc(OC)c(CN2CC[C@](Cc3cccc(-c4ccncc4)c3)(C(N)=O)C2)c1 19594331 QHKUTXKSAMAOTR-HHHXNRCGSA-N 445.563 3.824 0 40 IHAB CNC(=O)c1sc2ncccc2c1[C@@H]1CN(C(=O)CCCc2ccc(F)cc2)CCO1 19703292 ZXARVPKGWKAWSL-SFHVURJKSA-N 441.528 3.718 0 40 IHAB CCN(C(=O)CCn1cnnn1)[C@H]1CCO[C@@H](c2cccc(-c3ccc(OC)cc3)c2)C1 19712032 NVNBXBLYUXLMGP-JTHBVZDNSA-N 435.528 3.508 0 40 IHAB Cc1nc([C@H]2CCCN(C(=O)c3cccnc3)C2)nc2c1CCCN2CCc1ccccn1 19753014 KDHXUKXCXATVFK-NRFANRHFSA-N 442.567 3.590 0 40 IHAB COc1ccc(C(=O)N2CCC(c3ncc(C(=O)Nc4ccc(F)cc4)c(C)n3)CC2)cn1 19763951 SFSSTGAOJDZQBY-UHFFFAOYSA-N 449.486 3.600 0 40 IHAB COc1ccc(C(=O)N[C@]2(C(F)(F)F)N=C(c3ccccc3)N(C3CCCC3)C2=O)cc1 19939409 GCUGUQVPJFBZEN-JOCHJYFZSA-N 445.441 3.915 0 40 IHAB CC(C)COc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 19939913 KMPUUKZNTORJGT-UHFFFAOYSA-N 428.558 3.962 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)c(F)c3)CC2)cc1Cl 20016666 LGLQPVPZVASMPT-UHFFFAOYSA-N 444.887 3.666 0 40 IHAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc(F)c1)N(CCCN1CCOCC1)C3=O 20308620 PEOPDIWJUYGXEQ-QFIPXVFZSA-N 436.483 3.508 0 40 IHAB CCOc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cc(Cl)ccc3C)CC2=O)cc1 21094190 HNBOKHNZIJJTJC-OAHLLOKOSA-N 430.888 3.582 0 40 IHAB O=C(C1CCN(c2ccc(-c3cccs3)nn2)CC1)N1CCN(Cc2ccccc2)CC1 21538810 AVYGXKZKMVVQKL-UHFFFAOYSA-N 447.608 3.766 0 40 IHAB O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)c1cc(-c2cccnc2)nc2ccccc12 23074911 TWTDGGQRVALANW-QFIPXVFZSA-N 438.531 3.928 0 40 IHAB Cc1ccc(C(=O)Nc2ccc3c4c(cccc24)CC3)cc1S(=O)(=O)N1CCOCC1 27246702 VSBICFYHOYQYAM-UHFFFAOYSA-N 436.533 3.520 0 40 IHAB Cc1c(NC(=O)CN2CCCCCC2=O)cccc1C(=O)N1CCc2sccc2C1 27916164 IIPWEQRAVGUUQG-UHFFFAOYSA-N 425.554 3.596 0 40 IHAB O=C(Cc1csc(COc2ccc(F)cc2)n1)N1CCN(Cc2cccs2)CC1 27999436 IDMYIAGPLVCGSK-UHFFFAOYSA-N 431.558 3.810 0 40 IHAB CCOc1ccc2nc(NC(=O)Cn3c(S)nnc3-c3ccc(OC)cc3)sc2c1 28835274 BNDDBGSQBXKBBI-UHFFFAOYSA-N 441.538 3.890 0 40 IHAB CCOc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)n([C@@H]3CCS(=O)(=O)C3)n2)cc1 33325639 MWCAIQCREJNRLO-LJQANCHMSA-N 439.537 3.869 0 40 IHAB CCn1c(SCC(=O)Nc2ccccc2C)nnc1[C@H](C)NC(=O)c1ccccc1F 33694516 LLHMAISMBNDAIX-HNNXBMFYSA-N 441.532 3.967 0 40 IHAB Cc1cc2oc(=O)cc(CN3CCN(S(=O)(=O)c4cccs4)CC3)c2cc1C(C)C 34854039 IFTAFPVORLTORD-UHFFFAOYSA-N 446.594 3.793 0 40 IHAB aggregator C[C@H]1Cc2ccccc2N1C(=O)CSc1nnc(NC(=O)c2ccc(F)cc2)s1 35314066 UDUNQIMHPYTPOI-LBPRGKRZSA-N 428.514 3.999 0 40 IHAB CS(=O)(=O)c1ccc(CC(=O)Nc2nnc(-c3cc(Cl)sc3Cl)o2)cc1 35586468 SENCVILRMNWWSC-UHFFFAOYSA-N 432.310 3.690 0 40 IHAB CCc1nn2c(nnc3c(=O)n([C@@H](Cc4ccccc4)C(=O)O)ccc32)c1-c1ccccc1 40388386 NCMFMXVUMKRKRR-FQEVSTJZSA-N 439.475 3.537 0 40 IHAB COc1cc(OC)c(NC(=O)Cn2c(-c3ccc(F)cc3)nc(C)cc2=O)cc1Cl 57477884 FCRMRJGPBYBZOG-UHFFFAOYSA-N 431.851 3.667 0 40 IHAB Cc1nn(-c2ccccc2)cc1CCCNC(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)nc1 61473469 FFRVDFYZJYEERU-KDURUIRLSA-N 448.571 3.944 0 40 IHAB COc1ccc(C2=CCN(C(=O)c3cccc(NC(=O)CCn4ccnc4)c3)CC2)cc1 69742554 AMHVGAZLOKQWQX-UHFFFAOYSA-N 430.508 3.850 0 40 IHAB CCN1C(=O)c2ccccc2C(=O)[C@@]2(C)CN([C@H](C)Cc3ccc(OC)c(OC)c3)C[C@@H]12 72395492 DOZSQTWWWYDOLO-BPKZHXITSA-N 436.552 3.684 0 40 IHAB CCN1CC[C@]2(CN(CC(C)C)CC23CCN(C(=O)Nc2ccc(C)cc2)CC3)C1=O 96062607 MWJZDWZYASSTCR-VWLOTQADSA-N 426.605 3.819 0 40 IHAB CC(=O)c1cccc(NC(=O)[C@@H](C)N(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)c1 220252325 XYVNIYFXWWUSLR-LLVKDONJSA-N 429.325 3.989 0 40 IHAB COc1ccc(N(CCCC(=O)Nc2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 222598758 JYVIHYQBHGYBGZ-UHFFFAOYSA-N 430.448 3.899 0 40 IHAB COc1ccc(CCNC(=O)/C(=C/c2cccs2)NC(=O)c2ccc(OC)cc2)cc1 222931309 JVVIELLHZQXKLA-JWGURIENSA-N 436.533 3.895 0 40 IHAB CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H]3CC(C)(C)Oc4ccc(C)cc43)ccc21 223140325 GVQQXGAPDMRFJE-LJQANCHMSA-N 428.554 3.875 0 40 IHAB CSc1nnc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)s1 223504645 YQSOYSZLFIPNLC-UHFFFAOYSA-N 448.595 3.711 0 40 IHAB COc1ccc(OC)c(-c2cc(C(=O)NCC[C@@H](O)c3cccc(Cl)c3)n(C)n2)c1 225610277 HNARODIUSQJASG-HXUWFJFHSA-N 429.904 3.611 0 40 IHAB O=C(Cn1ccc(=O)c2ccccc21)N1CCN(C(c2ccccc2)c2ccccc2)CC1 225720295 IYURJISGTRKYMZ-UHFFFAOYSA-N 437.543 3.935 0 40 IHAB O=C(CCc1cccc(Oc2ccc(F)cc2)c1)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 238870696 MVDGLWRJDJOTAN-DHIUTWEWSA-N 448.494 3.713 0 40 IHAB CCOc1cccc2c1OC(C)(C)[C@H]1C[C@H]3[C@H](CCCN3C(=O)CCCC(=O)O)O[C@H]21 257216976 CWYMMDIIMNNHAV-VDNWNZSNSA-N 431.529 3.948 0 40 IHAB Cc1cccnc1Nc1ccc([C@@H]2CN(CC(=O)Nc3cccc(F)c3C)CCO2)nc1 257319420 VSLGYTZMGKUXJQ-QFIPXVFZSA-N 435.503 3.988 0 40 IHAB CCc1nc(C)c(C(=O)N2CCO[C@H](c3cc(Nc4nc(C)cc(C)n4)cc(C)n3)C2)o1 257322229 WFCMQLYLQLOXKH-IBGZPJMESA-N 436.516 3.613 0 40 IHAB COC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O 408549209 QVADKTVJHOZWCQ-CAOOACKPSA-N 435.263 3.638 0 40 IHAB O=C(Cn1cc(C(=O)C(=O)N2CCCCC2)c2ccccc21)NCc1ccccc1Cl 408569625 JXLSYSJYXYOPMY-UHFFFAOYSA-N 437.927 3.806 0 40 IHAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(C)cc2)C1 408700983 PPCXXNDRKLYWLO-OAQYLSRUSA-N 444.597 3.844 0 40 IHAB CCOc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(F)cc3)[C@H]2c2ccc(C)cc2)cc1 409061935 KDVBRJJRNFFMLV-SEKQKOPYSA-O 446.502 3.549 0 40 IHAB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)cc(OC)c1O 409353859 SXXIWUBQTOZTEC-VCHYOVAHSA-N 442.493 3.701 0 40 IHAB COc1ccc(-c2cc(C)nc([C@@H]3CCCN3S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)cc1 409412894 BYYXRRUYAUCPII-PNCHPQGNSA-N 445.585 3.557 0 40 IHAB CN1c2ccccc2N(C2CCN(Cc3csc(-c4ccccc4)n3)CC2)S1(=O)=O 575414165 BYPCIYWBPXEFHX-UHFFFAOYSA-N 440.594 3.976 0 40 IHAB Cn1cc(-c2cnc(OC3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)nc2)cn1 1889186667 CTXJGJZVTMEMQU-UHFFFAOYSA-N 438.841 3.992 0 40 IHAB CC1(C)Oc2ccccc2[C@H]2OCC3(CCN(CC(=O)NCc4ccccn4)CC3)C[C@@H]21 2037844037 LICCPBZANOYRIS-XUZZJYLKSA-N 435.568 3.729 0 40 IHAB Cc1cccc2cc(CN(C[C@H]3CCCO3)C(=S)NCCc3ccccc3)c(=O)[nH]c12 907798 QFICECPWECHHIL-JOCHJYFZSA-N 435.593 3.935 0 40 IHAB COc1ccc2cc(CN(C3CCCC3)S(=O)(=O)c3ccc(F)cc3)c(=O)[nH]c2c1 923830 VZKTXJSERWISGW-UHFFFAOYSA-N 430.501 3.809 0 40 IHAB COc1ccc(NC(=O)CSc2ncnc3c2nnn3Cc2ccccc2Cl)cc1 1352525 ZRJBTGZLKZQIPZ-UHFFFAOYSA-N 440.916 3.662 0 40 IHAB CC(C)C[C@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2cccc(F)c2)o1 2409789 LUNIYWHVPBHLON-HNNXBMFYSA-N 427.498 3.795 0 40 IHAB CN(C)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(Br)cc1 2428111 NPYWQLDQNBCNII-SFHVURJKSA-N 427.298 3.662 0 40 IHAB Cc1cc(/C=C/C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)c(C)n1Cc1ccco1 8718840 DRMZEAIJKBKCTQ-SOFGYWHQSA-N 434.448 3.516 0 40 IHAB COc1cc(OC)cc(C(=O)N/N=C/c2cc(C)n(-c3ccc(CC(=O)O)cc3)c2C)c1 8811082 OJXCRRQLAFFYGB-AFUMVMLFSA-N 435.480 3.502 0 40 IHAB CCN1CCN(c2oc(-c3cccc(C)c3)nc2S(=O)(=O)c2ccc(F)cc2)CC1 8844596 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O=C(Cc1cn(Cc2ccc(F)cc2)c2ccccc12)N1CCN(C(=O)c2ccco2)CC1 9523696 UFBAIDARLVWEOG-UHFFFAOYSA-N 445.494 3.949 0 40 IHAB CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)/C=C/c1ccc2c(c1)OCCCO2 9764940 JSCWQGVMGBNREN-WEVVVXLNSA-N 439.899 3.800 0 40 IHAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 9862935 YPNFWEDYDCKPNH-CABCVRRESA-N 437.521 3.640 0 40 IHAB Cc1ccc(N(CC(=O)NCCSCc2ccccc2F)S(C)(=O)=O)cc1Cl 10280999 HWRUWEVPKRNGLB-UHFFFAOYSA-N 444.981 3.603 0 40 IHAB Cc1cccc(C)c1NC(=O)CNC(=O)COC(=O)c1ccccc1Nc1ccccc1 10646720 YYFDTQZTWUQGAQ-UHFFFAOYSA-N 431.492 3.959 0 40 IHAB COc1ccc(OC)c(NC(=O)COC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1 10729302 OSVWFAZPBRFHNC-LLVKDONJSA-N 428.268 3.960 0 40 IHAB COc1ccc([C@@H]2CN(C(=O)c3ccc(OC)s3)C[C@H]2c2cc(O)nc(C)n2)cc1 12163634 UFZFCCAQBDNMTP-DLBZAZTESA-N 425.510 3.593 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 12195244 SSESRUMLXZQDPK-UHFFFAOYSA-N 436.917 3.699 0 40 IHAB CCOc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccncc3)ccc2Cl)cc1 12605868 OYLAIOXWMHFVPV-UHFFFAOYSA-N 445.928 3.865 0 40 IHAB COc1cccc([C@H](CNC(=O)[C@H](NC(=O)c2ccc(F)cc2)C(C)C)N2CCCC2)c1 12781632 PSVKQBNKSJAMTB-XZOQPEGZSA-N 441.547 3.542 0 40 IHAB CCOc1ccc([C@H](CNS(=O)(=O)N2CCCC2)c2c[nH]c3ccccc23)cc1OC 12782617 OGSPHLVQOXTFKH-IBGZPJMESA-N 443.569 3.637 0 40 IHAB CC(C)n1nnnc1SCC(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 12799495 DBWHGVXOASFWPP-UHFFFAOYSA-N 430.921 3.891 0 40 IHAB CCOc1ccc(-c2nnc(NC(=O)c3cccc(I)c3)o2)cc1 12806000 LVFKPKGDMSZHLS-UHFFFAOYSA-N 435.221 3.992 0 40 IHAB CCOc1ccc(CCNC(=O)[C@H]2CC(=O)N(c3ccccc3OCC)C2)cc1OCC 12851514 HWNSJSNISLQGHU-IBGZPJMESA-N 440.540 3.595 0 40 IHAB CC(=O)c1ccc(NC(=O)CSc2nc3ccccc3n2CC(=O)N2CCCC2)cc1 12882221 MGAYBKUWFDNUNF-UHFFFAOYSA-N 436.537 3.592 0 40 IHAB Cc1cccc(C(=O)N[C@H](C(=O)OCC(=O)N[C@@H](C)c2cc3ccccc3o2)C(C)C)c1 12892916 NMRBWQPJOCCSAI-SBUREZEXSA-N 436.508 3.916 0 40 IHAB CCOc1cc2c(cc1CNC(=O)c1ccccc1I)O[C@@H](C)C2 13000662 MBXRBPVJXJMPGY-LBPRGKRZSA-N 437.277 3.943 0 40 IHAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 13010605 IBDOBZYKANAKPP-KRWDZBQOSA-N 447.457 3.541 0 40 IHAB CN(C(=O)COC(=O)COc1ccccc1F)[C@]1(c2ccccc2Cl)CCCCC1=O 13039321 OPCRBFBUDMKNSY-QHCPKHFHSA-N 447.890 3.898 0 40 IHAB CC1=C(C(=O)N2CCOCC2)[C@H](c2c(F)cccc2Cl)NC(=O)N1Cc1ccccc1 13120743 KEAMWUQWWCNCRT-OAQYLSRUSA-N 443.906 3.878 0 40 IHAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)Cn2ncc(=O)c3ccccc32)cc1 13120925 MARHEICFEIIWMU-XMMPIXPASA-N 438.487 3.783 0 40 IHAB CC(=O)c1cccc(NC(=O)[C@H](OC(=O)CNC(=O)c2cccc(F)c2)c2ccccc2)c1 13148620 MNAAMYZOAUIDSO-HSZRJFAPSA-N 448.450 3.681 0 40 IHAB O=C(CCC(=O)c1ccc2c(c1)OCCO2)Nc1ccc(I)cc1 15502015 YVOCMLPEMWZWOG-UHFFFAOYSA-N 437.233 3.664 0 40 IHAB C[C@H](NC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)c1ccc(-n2ccnc2)cc1 15565855 FVOIBDGKOXPMDE-HNNXBMFYSA-N 447.564 3.859 0 40 IHAB COc1cc(Cl)c(C)cc1NC(=O)CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 16684859 YPWKTGYOVYPOHA-UHFFFAOYSA-N 437.887 3.651 0 40 IHAB Cc1ccc(C)c(OCc2nnc(S[C@@H](C)C(=O)N3CC(=O)Nc4ccccc43)o2)c1 16908815 GFNQOQNAJJXLSK-HNNXBMFYSA-N 438.509 3.731 0 40 IHAB C[C@@H](OC(=O)CCc1nc2ccccc2c(=O)n1C1CC1)C(=O)c1c[nH]c2ccccc12 18994909 ZJMQZLZFVOHXLZ-OAHLLOKOSA-N 429.476 3.960 0 40 IHAB Cc1ccc(CN2CCC[C@@H]2c2nn(CCO)cc2-c2ccnc(N3CCCC3)n2)cc1C 19213968 BDYJRWCIUSHVKJ-XMMPIXPASA-N 446.599 3.887 0 40 IHAB CNC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CCN(C(=O)Cc2cccc(C)c2)C1 19234607 GUBRLQPOACTHFC-MHZLTWQESA-N 427.548 3.807 0 40 IHAB CC(C)CNC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CCN(C(=O)c2ccccn2)C1 19447284 HLROGBIVJCIYLJ-MHZLTWQESA-N 442.563 3.991 0 40 IHAB CCCN1CCN(C(=O)c2cc[nH]n2)C[C@H](Cc2cccc(-c3ccccc3F)c2)C1=O 19503033 IZDXCJXHJQXULK-FQEVSTJZSA-N 434.515 3.769 0 40 IHAB CNc1cc(CN(C)C(C)=O)nc([C@@H]2CCCCN2C(=O)CCc2c[nH]c3ccccc23)n1 19709821 SCRIRCQHDTZKKB-QFIPXVFZSA-N 448.571 3.664 0 40 IHAB Cc1ncc(C(=O)NCc2ccccc2)c([C@H]2CCCN2CC(=O)Nc2ccc(F)cc2)n1 19766652 LQYVUUSKDUCCCM-JOCHJYFZSA-N 447.514 3.630 0 40 IHAB CSc1cccc(N2C[C@H](c3nc4ccccc4n3CCN3CCOCC3)CC2=O)c1 19939655 LZDBGKKTSDQKDB-GOSISDBHSA-N 436.581 3.611 0 40 IHAB COc1ccc([C@@H](C)NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1 20111533 XLOCJJUXSPARQI-QGZVFWFLSA-N 442.512 3.907 0 40 IHAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 20456838 ZFBSRQQCNWIXLJ-LJQANCHMSA-N 440.525 3.690 0 40 IHAB Cc1ccc(Cl)cc1N1CCN(C[C@@H](O)COc2ccc(Br)cc2)CC1 21867009 KOGGYCHHESNDLT-GOSISDBHSA-N 439.781 3.973 0 40 IHAB O=C(Nc1ccnn1Cc1ccc(Cl)cc1)C1CCN(C(=O)OCC(F)(F)F)CC1 22192832 WIQOMFRACAMWFV-UHFFFAOYSA-N 444.841 3.934 0 40 IHAB COc1ccc(N(CC(=O)N[C@@H](C)c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 22428679 GYLZRYHITOHDKL-KRWDZBQOSA-N 442.512 3.907 0 40 IHAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C)cc2)cc1C(=O)N1CCC(C)CC1 22528499 VOORGLCSBSSODI-SFHVURJKSA-N 430.570 3.915 0 40 IHAB Oc1c([C@@H](c2cccc(F)c2)N2CCN(c3ccccc3F)CC2)sc2ncnn12 22609596 AGWTTZQSSSARQQ-GOSISDBHSA-N 427.480 3.686 0 40 IHAB CCc1cccc(N2C[C@@H](C(=O)Nc3ccccc3I)CC2=O)c1 24758610 XGDWLLFKVPRKJI-AWEZNQCLSA-N 434.277 3.845 0 40 IHAB Cc1ccc(C)c(NC(=O)[C@@H](C)Sc2nnc(-c3cccs3)n2CCC(N)=O)c1 24925216 XOKJMQZRXCWBCV-CQSZACIVSA-N 429.571 3.618 0 40 IHAB O=C(NC[C@H]1CCCO1)c1ccccc1NS(=O)(=O)Cc1c(Cl)cccc1Cl 26111068 GJEOJUBJFNRGKS-CYBMUJFWSA-N 443.352 3.844 0 40 IHAB Cc1cccc(C(=O)Nc2ccc(NC(=O)c3cccc(S(C)(=O)=O)c3)c(Cl)c2)n1 26559811 RSYQJZCHJDPRFZ-UHFFFAOYSA-N 443.912 3.952 0 40 IHAB NC(=O)N[C@@H](CC(=O)Nc1ccccc1N1CCCC1)c1cccc(Br)c1 29830206 YHONJQUFMFCBFL-KRWDZBQOSA-N 431.334 3.788 0 40 IHAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@H](c1ccccc1OCC(C)C)SCC(=O)N2 31810147 FFZUDANAEBBKAN-IBGZPJMESA-N 449.540 3.657 0 40 IHAB Cc1cccn2c(=O)cc(CSc3nnc(-c4cccnc4)n3Cc3ccccc3)nc12 32672048 NFVBEQGQBAZVBD-UHFFFAOYSA-N 440.532 3.997 0 40 IHAB NC(=O)CCN(C(=O)CN1CCc2sccc2[C@@H]1c1cccs1)c1ccc(F)cc1 32774582 HGXFEDCCBASVRZ-JOCHJYFZSA-N 443.569 3.805 0 40 IHAB CCOc1ccc(-n2ccn3c(SCC(=O)c4c[nH]c5ccccc45)nnc3c2=O)cc1 35447939 ULAXWDZZOXIGEG-UHFFFAOYSA-N 445.504 3.735 0 40 IHAB COc1cccc(C(=O)Nc2cc(C(=O)OCc3cc(=O)n4oc(C)cc4n3)ccc2C)c1 41089573 QDBYLCAKBLFPSZ-UHFFFAOYSA-N 447.447 3.522 0 40 IHAB O=C(Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1)NCc1ccc2c(c1)OCO2 57486772 XHSZGCRVMUXHNB-UHFFFAOYSA-N 436.855 3.904 0 40 IHAB CCOc1ccc(-c2nc(Cn3nnc(C(=O)Nc4ccc(C)cc4)c3N)c(C)o2)cc1 57511782 OZSNUTIPNIRJQN-UHFFFAOYSA-N 432.484 3.831 0 40 IHAB CC[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cc(OC)cc(OC)c2)cc1 59288995 CQEKMZQKJRBZLD-SFHVURJKSA-N 432.542 3.909 0 40 IHAB CCc1nc(NC(=O)Cn2nc(-c3ccc(Br)cc3)ccc2=O)sc1C 61719511 WHDRJCXMMZVYHI-UHFFFAOYSA-N 433.331 3.639 0 40 IHAB Cc1cc(-c2cnc(NC3CC3)nc2C2CCN(C(=O)c3ccnn3C(C)C)CC2)on1 72337696 UFFUZBKZWDWYMU-UHFFFAOYSA-N 435.532 3.812 0 40 IHAB CCN1CCN(C(=O)c2cnc(C)nc2C)[C@H](Cc2cccc(-c3ccccc3)c2)C1=O 72351803 RZGFUZBBVLQFAS-XMMPIXPASA-N 428.536 3.676 0 40 IHAB Cc1nc([C@H]2CCCN(C(=O)CCc3ccccc3)C2)nc2c1CCC(=O)N2CC1CC1 72371135 RGFCLBGNESQSCL-NRFANRHFSA-N 432.568 3.813 0 40 IHAB CC(=O)N1CCc2nc([C@@H]3CCCN(C)C3)nc(NCC(C)(C)c3ccc(C)cc3)c2C1 72372277 MDWONGRXZFZPPV-HXUWFJFHSA-N 435.616 3.889 0 40 IHAB COc1cccc(OC)c1CN1CCC[C@H]([C@H](NC(=O)c2ccccn2)c2ccccn2)C1 72398638 DIMAJWSELOWJCI-DFBJGRDBSA-N 446.551 3.877 0 40 IHAB Cc1cc(C)c2c(C)c(C(=O)N[C@@H](C(N)=O)c3cccc(Br)c3)sc2n1 84114791 LJUMWTBXXJQNLY-OAHLLOKOSA-N 432.343 3.940 0 40 IHAB O=S1(=O)CC[C@H](NS(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(Cl)ccc21 84380051 CHWLZFUKCAVWFU-AWEZNQCLSA-N 439.864 3.556 0 40 IHAB C[C@@H]1[C@H](C(F)(F)F)OC(=O)N1c1ncccc1NS(=O)(=O)c1cccc(Cl)c1 84678319 PEZSDRFLJGUZJN-NOZJJQNGSA-N 435.811 3.812 0 40 IHAB CN1CCN(C(=O)C[C@@H]2CC3(CCN(C(=O)c4ccsc4)CC3)c3ccccc32)CC1 96242233 YZOCTZOFEDXCLJ-HXUWFJFHSA-N 437.609 3.574 0 40 IHAB COc1cccc(C(=O)N(CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)c2ccc(C)cc2)c1 100396744 QJZWTKQQZUCRIR-NLCRGRMESA-N 442.515 3.661 0 40 IHAB Cc1ccc(C(=O)N2CCC[C@@H]2c2cc3nc(C4CCN(C(C)C)CC4)cc(O)n3n2)cn1 100727926 FULUDKNPLZDANB-JOCHJYFZSA-N 448.571 3.703 0 40 IHAB COc1cccc([C@H]2[C@H]3C(=O)N(c4cccc(OC)c4)C(=O)[C@H]3ON2c2ccccc2)c1 100935949 NWCVKNREMOYHHI-VJBWXMMDSA-N 430.460 3.755 0 40 IHAB Cc1cc(=O)oc2cc(OCC(=O)NC(=O)N[C@H](C)[C@H]3C[C@@H]4CC[C@@H]3C4)c(Cl)cc12 102321862 UJZVHULESKUUKL-IXYNUQLISA-N 432.904 3.784 0 40 IHAB COc1ccc(Br)c(C(=O)N[C@H]2CCN(c3ccc(C(F)(F)F)cn3)C2)c1 206786726 LHIGVEVTETVNGD-LBPRGKRZSA-N 444.251 3.880 0 40 IHAB CC[C@H](C(=O)N[C@@H](C)COc1ccccc1C)N(c1cc(C)ccc1C)S(C)(=O)=O 220555100 SYVULYODYLUGFJ-VQTJNVASSA-N 432.586 3.740 0 40 IHAB CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)COc1ccccc1OC 222562239 YAVHHHFFJBTUGZ-TZIWHRDSSA-N 426.557 3.839 0 40 IHAB Nc1nnc(COc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)s1 222643415 GGAOZSANVPTHNW-UHFFFAOYSA-N 430.433 3.519 0 40 IHAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccccc1OC 222684194 DZYVFGQDPQSLQP-CYBMUJFWSA-N 425.312 3.544 0 40 IHAB COc1ccc(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NCC(C)C)cc1OC 222882661 ZSRHRZUKEXHNJR-QGZVFWFLSA-N 430.520 3.575 0 40 IHAB CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)COc1ccc(Br)cc1 222970516 WFWUAKIZVZRHAC-AWEZNQCLSA-N 437.309 3.520 0 40 IHAB Cc1ccc([C@@H](C)NS(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3)s2)cc1 223306930 VDTREJVFFGQNBC-GFCCVEGCSA-N 436.946 3.792 0 40 IHAB CN(c1ccc(C(=O)NCCOc2ccc3ccccc3c2)c(Cl)c1)S(C)(=O)=O 223637417 FVAWXHPWAZXNTB-UHFFFAOYSA-N 432.929 3.698 0 40 IHAB CC(C)(C)c1ccccc1OCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 223741041 VKYFJHRYFBERLL-IBGZPJMESA-N 444.597 3.580 0 40 IHAB CN(c1cccc(C(=O)NCCCOC2CCCCC2)c1)S(=O)(=O)c1ccccc1 224256467 ROTUNZBGVLOLGS-UHFFFAOYSA-N 430.570 3.981 0 40 IHAB CCn1c(=O)sc2cc(S(=O)(=O)N[C@@H]3CC(C)(C)Oc4cc(OC)ccc43)ccc21 225697536 DVCGPNAOVUWXTI-MRXNPFEDSA-N 448.566 3.672 0 40 IHAB COc1cccc(-c2cncc([C@H]3CN(C(=O)c4n[nH]c5ccc(C)cc45)CCO3)n2)c1 257223879 DZIGNWFVJUUFHR-JOCHJYFZSA-N 429.480 3.551 0 40 IHAB COc1ccc(C(=O)O)cc1[C@H]1C[C@](C)(NC(=O)CCO)C[C@@H](c2ccc(Cl)cc2)O1 257264215 LTJSMXZHKNZEGN-MIZPHKNDSA-N 447.915 3.897 0 40 IHAB Cc1ccc(Cc2cc(C)nc([C@@H]3CN(C(=O)c4cnc(N(C)C)nc4C)CCO3)c2)cc1 257337637 YTRMTZCOSPMSTN-DEOSSOPVSA-N 445.567 3.667 0 40 IHAB Cc1cc(OC[C@@]2(O)CCCN(CC(=O)NCc3cccc(F)c3)C2)cc(C)c1Cl 257342377 ZOICAPZPLCPUSV-HSZRJFAPSA-N 434.939 3.618 0 40 IHAB COC(=O)c1ccccc1NS(=O)(=O)c1ccc(NC(=O)N2CCCCCC2)cc1 408583314 HINNBCRFHCWBJA-UHFFFAOYSA-N 431.514 3.682 0 40 IHAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl 408592289 JULMLEFZFQLZRV-SUMWQHHRSA-N 429.369 3.798 0 40 IHAB C[C@H](c1ccccc1)N1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccccc3)cc2C1=O 408655483 CZUATZSQDFSRSG-MRXNPFEDSA-N 428.444 3.839 0 40 IHAB Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)cc1C 409148548 QLJICGRSRCBGKZ-OAHLLOKOSA-N 434.414 3.857 0 40 IHAB O=C(Cn1cnc(-c2ccc(F)cc2)cc1=O)Nc1ccccc1-c1cn2c(n1)CCCC2 575619911 NCGVTCMAXZQUTE-UHFFFAOYSA-N 443.482 3.888 0 40 IHAB Cc1cnc(Nc2cccc([C@@H]3CN(C(=O)COc4cccc(F)c4)CCO3)n2)s1 585262478 AQJMMEIKJOKVEO-SFHVURJKSA-N 428.489 3.708 0 40 IHAB O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)N1CCC[C@@H](n2ccnc2)C1 590861025 GINMVXJCWLBINU-QFBILLFUSA-N 432.366 3.519 0 40 IHAB COc1ccc(C(C)(C)C(=O)N[C@H](C)[C@@H](C)NC(=O)C(C)(C)c2ccc(OC)cc2)cc1 683361258 JOWULQUNHODMKU-QZTJIDSGSA-N 440.584 3.969 0 40 IHAB O=C(N[C@H](Cc1ccccc1)C(=O)O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccco1 2949425 ILXJLBDYUHHFTO-CWDSQJGSSA-N 438.867 3.516 0 40 IHAB O=C(Nc1nc(-c2ccccc2)cs1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 3186409 KTEFAYCEBCKRTL-IBGZPJMESA-N 427.551 3.992 0 40 IHAB aggregator O=C(CSc1nnc(NC2CCCCC2)s1)Nc1ccc(N2CCOCC2)cc1 3248802 OUWLEYKNUVTUOV-UHFFFAOYSA-N 433.603 3.850 0 40 IHAB Cc1ccc(C2=N/C(=C\c3ccc4c(c3)OCO4)C(=O)O2)cc1I 8443227 JHQXYMLSWJHLKA-NSIKDUERSA-N 433.201 3.673 0 40 IHAB CCOc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(NC(C)=O)cc1 8610048 DZVPWKBAPAASLY-OAQYLSRUSA-N 432.484 3.563 0 40 IHAB Cc1ccc2nc(C)c(CN3CCN(C(=O)c4c(-c5ccccc5)noc4C)CC3)n2c1 8719849 YOUXXXCSVBDASR-UHFFFAOYSA-N 429.524 3.873 0 40 IHAB COc1ccc(CCNS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)c(F)c2)cc1 8810806 HCMZJYXUCWVPNY-UHFFFAOYSA-N 446.475 3.747 0 40 IHAB C[C@H](Sc1nc2ccccc2c(=O)n1Cc1ccncc1)C(=O)N1CCc2ccccc21 8901431 IOJUEUMNDPPMJX-KRWDZBQOSA-N 442.544 3.910 0 40 IHAB COc1ccc(/C=C(/NC(=O)c2ccco2)C(=O)NCCc2c[nH]c3ccccc23)cc1 9109655 RQKDBODHRRZWJH-PXLXIMEGSA-N 429.476 3.899 0 40 IHAB Cc1ccc(N2C(=O)N(CC(=O)N(Cc3ccccc3)Cc3ccco3)C(=O)[C@@H]2C)cc1 9112253 KIWCIOTZICFWME-IBGZPJMESA-N 431.492 3.974 0 40 IHAB Cn1c(CNC(=O)c2ccco2)nnc1SCC(=O)c1ccc(Cl)cc1Cl 9263419 IKXNZJAHQTYBJZ-UHFFFAOYSA-N 425.297 3.620 0 40 IHAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N(C)CC(=O)Nc2ccc(F)cc2)cc1 9364852 UKFHRXRJEVNOKY-UHFFFAOYSA-N 444.466 3.544 0 40 IHAB COC(=O)c1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccccn2)cc1 9453447 SXCXMPQQLZTWED-HXUWFJFHSA-N 430.391 3.864 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)COc2ccc(Cl)cc2C)c1 9464938 YLLWPBLCQZTYQT-UHFFFAOYSA-N 440.949 3.705 0 40 IHAB CCc1cccc(C)c1NC(=O)CSc1nnc(-c2cc(-c3ccccc3)n[nH]2)n1N 9488431 WWQWVKOUGDHTET-UHFFFAOYSA-N 433.541 3.651 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)NCc2ccco2)cc1)[C@H]1COc2ccc(Cl)cc2C1 9517101 BBGZSDMLXBKWKK-OAHLLOKOSA-N 446.912 3.601 0 40 IHAB Cc1cccc(-c2nc3scc(CCNC(=O)C(=O)Nc4ccc(Cl)cc4)n3n2)c1 9569077 WPTDCHMHXLKBJF-UHFFFAOYSA-N 439.928 3.717 0 40 IHAB Nc1nc(N)nc(CSc2nc3cc(C(F)(F)F)ccc3n2Cc2ccccc2)n1 9645852 WTXRRWFDCZHOEC-UHFFFAOYSA-N 431.447 3.745 0 40 IHAB CS(=O)(=O)Nc1ccc(C(=O)CSc2nnc(-c3cccs3)n2C2CC2)cc1 9672321 KGMKPVQRHYJGST-UHFFFAOYSA-N 434.568 3.688 0 40 IHAB CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccccc2Br)CC1 9934592 BMXHBHMNRUOWGH-UHFFFAOYSA-N 446.345 3.630 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCCc4ccccc43)CC2)cc1 9955238 ISLNJBXGQRLROK-HSZRJFAPSA-N 442.581 3.680 0 40 IHAB COc1cccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)[C@@H](c3ccc(F)cc3)C2)c1 9971273 BZYXJZKGWVLCAU-JOCHJYFZSA-N 425.485 3.837 0 40 IHAB COc1cc(NC(=O)c2nnn(-c3cc(Cl)c(OC)cc3OC)c2C)cc(OC)c1 10272351 HOGXMHNOYMWQED-UHFFFAOYSA-N 432.864 3.516 0 40 IHAB CSCC[C@@H](NC(=O)c1ccccc1)C(=O)Nc1nc2cc3c(cc2s1)OCCO3 11751583 IEADJZDKGPQFCO-CQSZACIVSA-N 443.550 3.558 0 40 IHAB Cc1cc2c(s1)c1cnn(CC(=O)NC(C)(C)C)c(=O)c1n2Cc1ccc(F)cc1 12113551 SFJHSIGXUXHQOD-UHFFFAOYSA-N 426.517 3.823 0 40 IHAB COC(=O)C1=C(C)N(c2ccc(C)c(F)c2)C(=S)N[C@H]1c1ccc(C(=O)OC)cc1 12515163 WDYTWUDOKQPLDJ-IBGZPJMESA-N 428.485 3.804 0 40 IHAB O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1cc2ccccc2oc1=O 12555236 VPISUBXGIRQQGO-UHFFFAOYSA-N 446.912 3.873 0 40 IHAB Cc1ccccc1NC(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCC3)=NC2=O)cc1 12745211 FKVGWWRMICYANX-IBGZPJMESA-N 436.537 3.670 0 40 IHAB O=C(CSc1nnc(C2CC2)n1C1CC1)Nc1nc2cc3c(cc2s1)OCCO3 13005124 JKWZWMUFTUNPCD-UHFFFAOYSA-N 429.527 3.602 0 40 IHAB COCC(=O)Nc1nc2n(n1)[C@H](c1ccccc1Cl)C[C@H](c1ccc(OC)cc1)N2 13127410 DPVMPIVJZJFLDH-MSOLQXFVSA-N 427.892 3.671 0 40 IHAB CCc1cc2c(CN3CCC(C(=O)c4ccc5c(c4)OCCO5)CC3)cc(=O)oc2cc1O 14328678 FFUCQNOHPGCZBY-UHFFFAOYSA-N 449.503 3.927 0 40 IHAB C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c(Cl)c2)C1=O 15858446 HXLRUSQYCXLQLK-JTQLQIEISA-N 446.834 3.924 0 40 IHAB Cc1cc(C)c2oc3c(c(=O)c2c1)[C@H](c1ccc(Br)cc1)N(CCO)C3=O 16751303 PZABLYMRXLEJLN-KRWDZBQOSA-N 428.282 3.710 0 40 IHAB CCN1CCN(C(=O)c2cnn(C)c2C)C[C@H](Cc2cccc(-c3ccccc3C)c2)C1=O 19527531 MWQSBYDVTRJXNF-QHCPKHFHSA-N 444.579 3.867 0 40 IHAB COC(C)(C)C(=O)N1CCC[C@@](O)(c2nc(C)c(CCOc3ccccc3)s2)CC1 19705238 FZDZLBAUXXWYRA-QHCPKHFHSA-N 432.586 3.698 0 40 IHAB COc1cccc(CN2C(=O)Cc3c(C)nc([C@@H]4CCCN4C(=O)c4ccccc4)nc32)c1 19739651 KUOJUYAAONLSPW-QFIPXVFZSA-N 442.519 3.860 0 40 IHAB CC[C@@H](C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 20110914 XHKBJCLZITYQER-PXNSSMCTSA-N 448.585 3.743 0 40 IHAB COc1c(Cl)cc(C(=O)O)cc1NC(=S)NC(=O)c1ccc(Br)cc1 20151946 CMXGSCWNICLBOY-UHFFFAOYSA-N 443.706 3.936 0 40 IHAB C[C@H](OC(=O)c1ccccc1CSC1=NCCS1)C(=O)NC(=O)NC1CCCCC1 21867217 IBJVNBKIRHJAPB-AWEZNQCLSA-N 449.598 3.726 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(C)cc2)c2ccccc2)cc1C 22385424 FQYQNCRSZVPHJK-UHFFFAOYSA-N 438.549 3.824 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N[C@@H](C)c1ccc(C)cc1C 22515022 CCGNMTJGQBKVPG-SFHVURJKSA-N 430.570 3.978 0 40 IHAB CCn1c(C)cc(O)c([C@H](c2cccc(Cl)c2)N2CCN(c3ccccn3)CC2)c1=O 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C[C@@H](Oc1ccc(Br)cc1)C(=O)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1 32925904 IXFVOHLHNAWDQW-PBHICJAKSA-N 444.391 3.565 0 40 IHAB COc1ccc([C@@H](CNC(=O)CN(C[C@@H]2CCOC2)C2CC2)c2c[nH]c3ccccc23)cc1 32935632 LIOZTIFAUAGVBI-YADARESESA-N 447.579 3.926 0 40 IHAB CCOc1cccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)c1 44911336 QJHUSTZUTBFRTF-FQEVSTJZSA-N 432.542 3.549 0 40 IHAB C[C@H]1C[C@H]1c1ccc(CN(C)C(=O)CCCCCNC2=NS(=O)(=O)c3ccccc32)o1 48262266 BMCZFZCTOFICFN-QFBILLFUSA-N 443.569 3.661 0 40 IHAB COc1ccccc1[C@H](CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)N1CCCC1 48373934 GEXOQDRZQQLCSC-SFHVURJKSA-N 444.475 3.709 0 40 IHAB CCN(CC)CCNc1nc(-c2ccncc2)nc2c1CN(Cc1ccc(OC)cc1)CC2 57743679 VDUGCBPKWZPQIU-UHFFFAOYSA-N 446.599 3.859 0 40 IHAB C[C@H](NC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1ccc2c(c1)CCC(=O)N2 58406776 VPQDTUYINJQDOS-BBRMVZONSA-N 445.441 3.820 0 40 IHAB COc1ccc(-c2nc(C)cc(=O)n2CC(=O)Nc2ccc(C)cc2Br)cc1 67198656 OPTWYZIAEMBFHN-UHFFFAOYSA-N 442.313 3.937 0 40 IHAB CCOc1ccc(NC(=O)Cn2nnc(C(=O)Nc3cc(Cl)ccc3C)c2C)cc1 71327395 AZGDPNSLVQNIRE-UHFFFAOYSA-N 427.892 3.838 0 40 IHAB Cc1ccc(C(=O)N2CCC[C@@H](c3nc(N4CCOCC4)ncc3-c3ccncc3)C2)cc1 72338417 IBDWWHJXKBSJJP-JOCHJYFZSA-N 443.551 3.703 0 40 IHAB COc1cc(CN2CCC[C@H]2c2ccc(Nc3ncccc3C)cn2)ccc1OCC(N)=O 72353184 BMYAMSNZYFJUQY-NRFANRHFSA-N 447.539 3.738 0 40 IHAB Cc1ccc(C2(CNc3cc(COc4ccccn4)nc(N(C)C)n3)CCOCC2)cc1 72373181 JGMXXPDMEIXPPD-UHFFFAOYSA-N 433.556 3.985 0 40 IHAB O=C(CCS(=O)(=O)c1ccccc1)OC1CN(c2nc3c(Cl)cccc3s2)C1 77101429 AQCLZOKIRYDTOI-UHFFFAOYSA-N 436.942 3.546 0 40 IHAB Cc1cc(C)n2nc(CC(=O)NCc3ccc(-c4nc5cc(C)c(C)cc5[nH]4)cc3)nc2n1 79050873 OMXFQWPNBQJMNM-UHFFFAOYSA-N 439.523 3.760 0 40 IHAB CON(C)C(=O)[C@H](COC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 96179336 NAZGMPRIGILXOT-NRFANRHFSA-N 426.513 3.729 0 40 IHAB Cc1noc2nc(C3CC3)cc(C(=O)OCC(=O)Nc3cccc(Br)c3)c12 97134617 CHAXPTFFZFCUJR-UHFFFAOYSA-N 430.258 3.967 0 40 IHAB C[C@@H](NC(=O)C(C)(C)S(=O)(=O)c1ccc(Br)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 106184237 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CC(C)[C@@H](C(=O)O)N1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408655616 LDKRLNJEUICCCF-YNWHNULJSA-N 444.314 3.689 0 40 IHAB O=C(CCN1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)NC[C@@H]1CCCO1 408684505 OXSPKDIEMRBVSC-ZETCQYMHSA-N 440.110 3.582 0 40 IHAB Cc1ccc(N(CCCC(=O)Nc2cccc(Br)c2)S(C)(=O)=O)cc1 408694735 MASDYUFCLFSASI-UHFFFAOYSA-N 425.348 3.942 0 40 IHAB CS(=O)(=O)N(CCCC(=O)Nc1cc(Cl)ccc1Cl)c1ccc2c(c1)OCO2 408704712 RTJQZIXSMBGNIF-UHFFFAOYSA-N 445.324 3.907 0 40 IHAB COc1cc(C(=O)N2CCC(C(=O)Nc3cccc(SC)c3)CC2)cc(OC)c1OC 409024356 RCVBBRGICOOQDH-UHFFFAOYSA-N 444.553 3.925 0 40 IHAB Cc1ccc([C@H]2[C@@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccccc2Cl)cc1 409064285 BWZKPZVPKAROPR-VTPLCQIWSA-O 436.894 3.804 0 40 IHAB Cc1nc(S/C(=C\c2cc(Br)cc(Br)c2O)C(=O)O)n[nH]1 409188799 AOTGMYBTFXAJIT-OQFOIZHKSA-N 435.097 3.562 0 40 IHAB COC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)OCC(C)C)C3=O)o2)cc1 409218440 VGIJQNAYCMQLKC-VCHYOVAHSA-N 443.477 3.969 0 40 IHAB CCCN1C(=O)S/C(=C/c2cc(Br)c(OCC(=O)O)c(OCC)c2)C1=O 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CCc1nnc(NC(=O)CSc2nnc(CNc3ccc(C)c(Cl)c3)n2C)s1 6860925 UZOCEFXMXBNQCA-UHFFFAOYSA-N 437.982 3.534 0 40 IHAB CCn1c(SCC(=O)Nc2nnc(C3CCCCC3)s2)nnc1-c1cccnc1 8883091 HAJUTLIJOTVWCB-UHFFFAOYSA-N 429.575 3.990 0 40 IHAB CCOC(=O)c1c(NC(=O)c2nn(-c3cccc(C)c3)ccc2=O)sc2c1CCCC2 8917452 TVLDAAYTOZCSMD-UHFFFAOYSA-N 437.521 3.910 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)CN(C(=O)c1ccco1)CC2 8977220 DYFHLDCOQKBSJD-UHFFFAOYSA-N 446.912 3.941 0 40 IHAB Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1C 9055688 JSYZGEWVNKPNBK-UHFFFAOYSA-N 428.444 3.900 0 40 IHAB CC(C)(C)c1ccc(OCC(=O)N(Cc2ccc(F)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 9184945 WYNFSGMLPGCVNH-HXUWFJFHSA-N 433.545 3.718 0 40 IHAB COC(=O)CSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CC(C)(C)OC3 9301754 FAEWRVCJPYZASU-UHFFFAOYSA-N 430.551 3.872 0 40 IHAB Cc1ccccc1-n1c(SCc2nc(-c3ccccc3)no2)nnc1N1CCOCC1 9338551 DLIPSMLWWQZUQF-UHFFFAOYSA-N 434.525 3.755 0 40 IHAB COc1ccccc1/C=C1\SC(=O)N(CCC(=O)NCCc2c[nH]c3ccccc23)C1=O 9348678 DHRCQEGPBBAFKA-STZFKDTASA-N 449.532 3.962 0 40 IHAB Cc1ccc(-n2nc3c(c2NC(=O)c2c(F)cccc2Cl)CS(=O)(=O)C3)cc1C 9391561 UZDFUZJWHZNWRR-UHFFFAOYSA-N 433.892 3.962 0 40 IHAB Cc1ccccc1-n1nc2c(c1NC(=O)c1ccc(Br)cc1)C[S@@](=O)C2 9413558 ADLIYOVLXLQQDQ-SANMLTNESA-N 430.327 3.958 0 40 IHAB Cc1ccccc1-n1cnnc1SCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 9477222 RTTGMIUSTTZYQR-IBGZPJMESA-N 436.537 3.803 0 40 IHAB C[C@@]12CCC(=O)N1[C@H](C(=O)OCC(=O)N1c3ccccc3Sc3ccccc31)CS2 9587965 XSDHSSHPFFKYRW-KSFYIVLOSA-N 440.546 3.813 0 40 IHAB O=C(CSc1nnc(NC(=O)COc2ccccc2)s1)Nc1cccc(Cl)c1 9599942 MYMSNRLLEXVLRE-UHFFFAOYSA-N 434.930 3.940 0 40 IHAB Cc1ccccc1N(CC(=O)N1CCC[C@H]1c1nc2ccccc2s1)S(C)(=O)=O 9633693 ZUFGJRTXVOCCIR-SFHVURJKSA-N 429.567 3.734 0 40 IHAB Nc1nc(COC(=O)c2ccc(C(=O)c3ccccc3)cc2)nc(Nc2ccccc2)n1 9670713 LDPWPKXCIPVQQG-UHFFFAOYSA-N 425.448 3.785 0 40 IHAB O=C(CSc1ccc(-c2ccc(-n3ccnc3)cc2)nn1)Nc1ccc2c(c1)OCCO2 9712892 LKHPIBNOXXGMEB-UHFFFAOYSA-N 445.504 3.831 0 40 IHAB COc1ccc(S(=O)(=O)N[C@@H](C)c2cc(C)ccc2C)cc1C(=O)N1CCCCC1 10543931 XRAJMIMMFZENLK-SFHVURJKSA-N 430.570 3.978 0 40 IHAB COc1ccc2c(C)c(CCC(=O)O[C@H](C)C(=O)N3CCCc4ccccc43)c(=O)oc2c1 12351124 HBHHNPOGQOAVOY-QGZVFWFLSA-N 449.503 3.954 0 40 IHAB O=C(Nc1ccccc1)Nc1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 12631412 TUMYHYRHVSIGJH-UHFFFAOYSA-N 425.466 3.903 0 40 IHAB COc1ccc(NC(=O)[C@H](NC(=O)c2ccc(Br)cc2)C(C)C)cc1OC 12773827 ZCMMYPSPWLRTJJ-GOSISDBHSA-N 435.318 3.859 0 40 IHAB COCCN(Cc1nnc(-c2cccs2)o1)[C@H](C)C(=O)Nc1ccc2c(c1)CCC2 12851672 UOGFMGDINNSDGX-OAHLLOKOSA-N 426.542 3.762 0 40 IHAB O=C(NC1CC1)c1ccc(NC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1 13007150 VNFDOKWXSADPTK-NCWDGNTMSA-N 435.568 3.725 0 40 IHAB CCc1nc2sc3c(c2c2nnc(SCC(=O)Nc4nnc(C)s4)n12)CCCC3 13499921 KEFPFXYJVWNFGH-UHFFFAOYSA-N 445.599 3.671 0 40 IHAB CS(=O)(=O)NCCc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)s1 14084048 TUYKIFOMQXFRBS-UHFFFAOYSA-N 440.550 3.635 0 40 IHAB Cc1sc2nc(CS[C@H](C)C(=O)Nc3ccc4c(c3)OCCO4)[nH]c(=O)c2c1C 15318396 QRUIYHWXKWYDSQ-GFCCVEGCSA-N 431.539 3.633 0 40 IHAB COc1cccc(CN(C)C(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)c1OC 15463651 NULVEMJBDUDRIU-KRWDZBQOSA-N 446.569 3.539 0 40 IHAB CCN(CC(=O)Nc1cc(Cl)ccc1C)Cc1nc2sc3c(c2c(=O)[nH]1)CCC3 16557557 FGBNSLNEUCJDRK-UHFFFAOYSA-N 430.961 3.896 0 40 IHAB O=C(CNS(=O)(=O)c1ccc(NC(=O)c2c(F)cccc2Cl)cc1)c1ccccc1 18197893 YGPMYBNKFGJFFB-UHFFFAOYSA-N 446.887 3.893 0 40 IHAB COc1cccc(O[C@H](C)C(=O)N2CCC[C@@H]([C@@H]3C[C@H](C(F)F)n4nc(C)cc4N3)C2)c1 19127341 RKEOIDRAERWONJ-YAJHFMINSA-N 448.514 3.897 0 40 IHAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN3C(=O)CCCN3CCCC3=O)cc2N1 19520698 SXEIHBYSYPQZOK-DJIMGWMZSA-N 441.498 3.647 0 40 IHAB CCN1CCN(C(=O)c2cn(C)cn2)C[C@@H](Cc2ccc(-c3cccc(C)c3)cc2)C1=O 19527318 MRJYHEQANHPMLK-HSZRJFAPSA-N 430.552 3.559 0 40 IHAB CCOC(=O)[C@@]12CC=CCN(C(=O)c3sccc3S(=O)(=O)C(C)(C)C)[C@@H]1CCC2 19530657 WOPIBPPAKWRVEB-IIBYNOLFSA-N 439.599 3.824 0 40 IHAB Cc1nccn1CCC(=O)N1CCC[C@@H](c2nc(N(C)C)ncc2-c2ccccc2F)C1 19693914 ZVRCUTHIZASHHV-GOSISDBHSA-N 436.535 3.650 0 40 IHAB Cc1nc(CN(C)Cc2c(C)nc3sccn23)nc2c1CCC(=O)N2Cc1ccccc1 19698587 YNTJHFLBJAMQAV-UHFFFAOYSA-N 446.580 3.914 0 40 IHAB Cc1nc([C@@H]2CCCCN2Cc2ccc(OC(C)C)c(Cn3cccn3)c2)ncc1C(N)=O 19764581 ZMUIJVPRQIGUHI-QFIPXVFZSA-N 448.571 3.643 0 40 IHAB COc1ccc(OC)c(NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2C)c1 20061743 JKVMYDOYXAIGLC-UHFFFAOYSA-N 432.542 3.685 0 40 IHAB COc1ccc(-c2cc(NC(=O)c3nc4nccc(C)n4n3)ccc2OC(F)F)cc1 21797402 HGHQRPYFNHQYPT-UHFFFAOYSA-N 425.395 3.962 0 40 IHAB Cc1ccc(OC[C@@H](C)NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 22361929 VPSVQUPAEKDYLZ-CQSZACIVSA-N 445.368 3.652 0 40 IHAB O=C(NC(=S)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1)c1cccc(Cl)c1 22528947 GHJUTIFLLJUVDD-UHFFFAOYSA-N 449.832 3.872 0 40 IHAB COc1ccc(-c2cc(CN3CCN(S(=O)(=O)c4ccccc4Cl)CC3)on2)cc1 24258568 KLFGXLNCAJPAFT-UHFFFAOYSA-N 447.944 3.510 0 40 IHAB O=c1c2c(-c3cccs3)csc2nc(CN2CCOCC2)n1C[C@@H]1CCCCO1 24602031 FBPQRLSJHHEMJC-HNNXBMFYSA-N 431.583 3.588 0 40 IHAB CCCCc1ccc(NC(=O)CSc2nnc(/C=C/c3ccccc3)c(=O)n2N)cc1 27526434 DJLBLYVGVLVVCQ-NTCAYCPXSA-N 435.553 3.596 0 40 IHAB COC(=O)c1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 28942900 OBDWVAJRSNJLMH-UHFFFAOYSA-N 438.505 3.616 0 40 IHAB CCCCn1c(SCC2=C(C(=O)OCC)[C@@H](c3ccco3)NC(=O)N2)nc(C)c1C 29627438 IFGFUPRSDJGFSP-GOSISDBHSA-N 432.546 3.856 0 40 IHAB O=C(NCc1ccc(Cn2ccnc2)cc1)[C@@H]1CCCC[C@H]1C(=O)N1CCc2ccccc21 30220224 CIMKWUNYIUPVJC-DNQXCXABSA-N 442.563 3.943 0 40 IHAB O=C(NCCC(=O)N1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1)c1ccco1 32809455 ASYCYTHLMQPMAZ-UHFFFAOYSA-N 441.528 3.612 0 40 IHAB COc1ccc(NC(=O)[C@H](OC(=O)[C@H]2CCCN2C(=O)c2ccco2)c2ccccc2)cc1 32837656 HJIZMJIHDDASHE-IFMALSPDSA-N 448.475 3.816 0 40 IHAB CCN(CC)CCOc1ccccc1CNS(=O)(=O)c1ccc(Br)cc1 32929509 XDEALOPDXKEWKX-UHFFFAOYSA-N 441.391 3.648 0 40 IHAB CCOc1ccc(NC(C)=O)cc1S(=O)(=O)N[C@@H](c1ccccc1)c1ccccn1 33047991 BAZCYPCYWFOMFH-QFIPXVFZSA-N 425.510 3.507 0 40 IHAB CCNC(=O)c1cn(C)c(-c2nc3cc(NC(=O)c4ccccc4)ccc3n2C)c1OC 36369799 RAVJJMIOAZVABV-UHFFFAOYSA-N 431.496 3.589 0 40 IHAB biogenic COc1ccc(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1Cl 38850259 URFMRRDWIRIZPR-KRWDZBQOSA-N 445.324 3.558 0 40 IHAB COC(=O)[C@H](Cc1ccccc1)NC(=O)c1nc(SCc2ccccc2)ncc1Cl 41097728 HFAPDKHBEIBRAF-SFHVURJKSA-N 441.940 3.936 0 40 IHAB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)NCCCc2ccc(Cl)cc2)CC1 44838721 NEADKYSJJSRYHA-UHFFFAOYSA-N 449.016 3.939 0 40 IHAB O=C(CCc1ccccc1)NC1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 48300728 JLGXSYQYTPWCNL-UHFFFAOYSA-N 440.487 3.698 0 40 IHAB Cc1ccc(C)n1-c1c(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cnn1C 60032212 GCNADWPLKBXVMZ-UHFFFAOYSA-N 431.462 3.809 0 40 IHAB COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3ccc(C(N)=O)cc3)oc12 67295673 XKAMCPJJEXTOMQ-PNHLSOANSA-N 428.448 3.728 0 40 IHAB COc1cc(C)c(C)cc1S(=O)(=O)NCC1CCN(c2nc3ccccc3o2)CC1 70923975 BOVTWOPEYPDHJB-UHFFFAOYSA-N 429.542 3.648 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC3(CC2)C[C@H]3c2nnc3n2CCCCC3)cc1Cl 71890433 IJHJBGSFJVVFCD-KRWDZBQOSA-N 434.993 3.925 0 40 IHAB COc1cccc(NC(=O)c2ccccc2NC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)c1 72294603 DQLXHJPKZQEOFI-DEOSSOPVSA-N 445.519 3.787 0 40 IHAB COc1cc2cc(N)c([C@H]3CCCN(C(=O)[C@H]4CCC[C@H](OC)C4)C3)nc2cc1OC 72341927 AESDUXIGKNVNSE-BQFCYCMXSA-N 427.545 3.745 0 40 IHAB CCNC(=O)C1(Cc2ccccc2-c2ccncc2)CCN(C(=O)Cc2cccnc2)CC1 72345016 WTPWHHCXYRLJFW-UHFFFAOYSA-N 442.563 3.674 0 40 IHAB COc1ccc(CN2CCN(C)C(=O)[C@H]2Cc2cccc(-c3ccncc3)c2)cc1OC 72351669 CGAYCQBHRZTEOY-HSZRJFAPSA-N 431.536 3.651 0 40 IHAB COc1cccc(-c2c[nH]nc2[C@H]2CCCN2S(=O)(=O)c2ccc(NC(C)=O)cc2)c1 72380287 FXLCGKFZMOBERZ-OAQYLSRUSA-N 440.525 3.570 0 40 IHAB C[C@H]1[C@H](C(F)(F)F)OC(=O)N1c1ncccc1NC(=O)c1ccn(-c2ccc(F)cc2)n1 84678312 UGVTWHMTDWFFFF-MEDUHNTESA-N 449.364 3.935 0 40 IHAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCc1nc(-c2cccc(Br)c2)no1 95482290 JDNAZPCUFGPLGB-QGZVFWFLSA-N 446.301 3.982 0 40 IHAB O=C(Nc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1)Nc1nnc(C(F)(F)F)s1 103557935 ZYOHRUPNVHUMDI-RBJBARPLSA-N 449.414 3.512 0 40 IHAB CCc1ccc(OCC(=O)Nc2ccc(N3CCN(C)CC3)cc2)c(Br)c1 111894512 QMHBYWSIZCOHCR-UHFFFAOYSA-N 432.362 3.781 0 40 IHAB C[C@H]1CC[C@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4C(=O)[C@@H](O)[C@]3(C)[C@H]1[C@H]2C 118936265 DGRJLOFFNWNGJO-XUTKKBCLSA-N 446.628 3.944 0 40 IHAB CC(=O)c1cccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc(C(F)(F)F)c2)c1 139085299 FYZGYXVMHIKGMU-UHFFFAOYSA-N 436.386 3.809 0 40 IHAB COc1cc(-c2cc(C(=O)NC[C@@H]3CCCN3c3ccccc3)[nH]n2)cc(OC)c1OC 207992526 OSBRZEBEHCTYIH-SFHVURJKSA-N 436.512 3.501 0 40 IHAB Cc1ccc(NC(=O)C[C@H]2C(=O)N(C3CC3)C(=S)N2CCc2ccc(F)cc2)cc1 215673134 TVPLGSJKPDWVKA-FQEVSTJZSA-N 425.529 3.666 0 40 IHAB CN(C(=O)[C@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1)C1CCCC1 216300488 WKJUEOJFEZRFMD-AWEZNQCLSA-N 433.401 3.936 0 40 IHAB Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)Nc1ccc2sncc2c1 222759469 LUPMXPGJZAMZBL-UHFFFAOYSA-N 433.555 3.557 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(Cc3ccncc3)cc2)cc1N1CCCC1=O 224377987 FHEUPTQFNCCVDL-UHFFFAOYSA-N 437.521 3.609 0 40 IHAB CCOc1ccc(C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)cc1COC(C)C 224722022 YIGFRVOCGQZZJX-UHFFFAOYSA-N 429.469 3.836 0 40 IHAB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)Nc2ccc(N3CCCC3)cc2)CC1 224922152 QHYMBYYFQWASHP-UHFFFAOYSA-N 441.597 3.776 0 40 IHAB CCc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)cc1 225522824 VUJVJOZZDXQWFL-YLJYHZDGSA-N 430.570 3.536 0 40 IHAB O=C(Nc1ccccc1F)c1cc(C2CCN(S(=O)(=O)c3ccccc3F)CC2)n[nH]1 225562907 QFUDLJYKFOCSRW-UHFFFAOYSA-N 446.479 3.509 0 40 IHAB O=C(COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)N1CCCC1 408555940 BIZYXFBJAATPPR-UHFFFAOYSA-N 428.432 3.507 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3OCC)C2)cc1C 408561425 SICWAJLFNIEAAD-GOSISDBHSA-N 446.569 3.832 0 40 IHAB CC(C)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1 408593962 QXLPMUQYQWLTOJ-CYBMUJFWSA-N 441.347 3.542 0 40 IHAB CCN(CC)C(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 408603226 FEIOFENITSMUPY-JOCHJYFZSA-N 439.581 3.935 0 40 IHAB Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)c2)cc1C 408664484 QPKHBTIOHROZFM-OYRHEFFESA-N 432.476 3.555 0 40 IHAB COc1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc2C)cc1 408679923 WUBLCOMHMTYEHJ-UHFFFAOYSA-N 426.494 3.822 0 40 IHAB Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3[nH]nc4c3c(-c3ccccc3)nn4C)C2)cc1 524550745 DJVSUWBFEAHDJM-IBGZPJMESA-N 442.523 3.763 0 40 IHAB CC[C@@H]1C[C@H](C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)CC(=O)N1 541703562 BWLIIWMUKAKGQF-GOEBONIOSA-N 449.960 3.693 0 40 IHAB CC(C)n1nccc1[C@H]1CN(C(=O)C2(F)CC2)C[C@]12CCCN(Cc1ccccc1)C2=O 585106471 ROWYCBDZUVHONM-HYBUGGRVSA-N 438.547 3.701 0 40 IHAB COc1ccc([C@H]2CN(Cc3ccccc3OCCN3CCCC3)CCN2C(C)=O)cc1 585261969 XAUJWOFZBRXQRK-RUZDIDTESA-N 437.584 3.575 0 40 IHAB O=C(CN1CCCCCCOc2ccccc2Oc2ncccc2C1)N1CCC[C@H]1CO 643576692 PJESWYOICHMKAV-NRFANRHFSA-N 439.556 3.612 0 40 IHAB Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 1888989785 RDNBUNPPFYPCKK-UHFFFAOYSA-N 449.935 3.598 0 40 IHAB COc1ccc(-c2cnc(N3CCN(C(=O)[C@]4(C)CC=CCC4)CC3)c3nccn23)cc1 2055739135 MIQNSUDMFSGAGC-RUZDIDTESA-N 431.540 3.800 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccc(OC)cc2)n1CC 874075 HZAFMOOIENNTJO-UHFFFAOYSA-N 440.525 3.881 0 40 IHAB COc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)c3ccccc3C)n2)cc1 1372840 DDHBJTBMWDFZQG-UHFFFAOYSA-N 442.479 3.548 0 40 IHAB CCOC(=O)[C@@](NC(=O)c1ccccc1OCC)(Nc1ccc(F)cc1)C(F)(F)F 3103565 XMQROMUHPZJWIQ-IBGZPJMESA-N 428.382 3.888 0 40 IHAB O=C(COC(=O)C(c1ccccc1)c1ccccc1)Nc1ccc(N2CCOCC2)cc1 3254895 QNRWATKDOSGIJM-UHFFFAOYSA-N 430.504 3.837 0 40 IHAB CCCc1nc2sc3c(N4CCN(C(=O)OCC)CC4)ncnc3c2c2c1CCC2 5155882 UPTKLPIYHQPAAB-UHFFFAOYSA-N 425.558 3.959 0 40 IHAB Cc1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](Nc4nccc(-c5ccccc5)n4)CO[C@H]23)cc1 5434076 OXJULQOCQFLNOQ-DXBBTUNJSA-N 432.480 3.647 0 40 IHAB biogenic,in-vitro Cc1ccc([C@H](C)N2c3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCC[C@@H]32)cc1 6831098 CKBLYSLKUICESQ-MBSDFSHPSA-N 427.570 3.523 0 40 IHAB O=C(Cn1c(SCCOc2ccccc2Cl)nc2ccccc21)N1CCOCC1 8586865 PIHIJQMDLACPQK-UHFFFAOYSA-N 431.945 3.720 0 40 IHAB O=C(CCc1nnc2s/c(=C/c3ccccc3)c(=O)n12)Nc1cc(Cl)ccc1Cl 8653178 UACMQTLRFLWSIU-MHWRWJLKSA-N 445.331 3.577 0 40 IHAB O=C(Cn1c([C@H]2CC(=O)N(CCc3ccccc3)C2)nc2ccccc21)N1CCCCC1 9002101 WRDZPYCQFGLHQD-NRFANRHFSA-N 430.552 3.607 0 40 IHAB Cc1ccc2[nH]c(=O)c(CN(C[C@H]3CCCO3)S(=O)(=O)c3ccc(Cl)cc3)cc2c1 9187500 YLPFUZQNHDVJKW-LJQANCHMSA-N 446.956 3.860 0 40 IHAB COc1ccc(CNC(=O)c2ccc(N3C(=O)[C@@H]4Cc5ccccc5CN4C3=O)cc2)cc1 9187535 ZEKPBLLNRSGYSC-QHCPKHFHSA-N 441.487 3.519 0 40 IHAB COc1ccc(CCC2CCN([C@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)c(OC)c1 9287890 VJLSWUXIGOGTKL-QFIPXVFZSA-N 440.515 3.820 0 40 IHAB Cc1ccc(NC(=O)CSc2nnc(Cn3c(=O)sc4ccccc43)n2C)c(C)c1 9413125 HEOMAAKNBRHNDI-UHFFFAOYSA-N 439.566 3.587 0 40 IHAB COc1ccccc1-n1c(SCc2nnnn2-c2ccccc2)nnc1N1CCCCC1 9514653 IVCSUUMEFOIRMM-UHFFFAOYSA-N 448.556 3.534 0 40 IHAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1 9633590 GJLRJLHNMXBZEA-JOCHJYFZSA-N 433.533 3.989 0 40 IHAB Cc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1S(=O)(=O)NCc1ccccc1 9669678 DYRALDISOAKZPD-UHFFFAOYSA-N 447.560 3.927 0 40 IHAB Cc1ccc(-n2nc(C)cc2NC(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 9951619 PEFJBRQFIRUOLU-UHFFFAOYSA-N 449.492 3.999 0 40 IHAB CCc1cccc2c(C(=O)CN3C(=O)N[C@@](C)(c4ccc5c(c4)OCCCO5)C3=O)c[nH]c12 9952855 MBYHVHCRDKBWLZ-VWLOTQADSA-N 447.491 3.542 0 40 IHAB C[C@@H]1CN(C(=O)c2cc3cc(Br)cc(Br)c3oc2=O)C[C@@H](C)O1 10013975 BLIHUZYNQFKCSS-RKDXNWHRSA-N 445.107 3.567 0 40 IHAB COc1ccc2c(c1)CCCN2C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 10542222 NKWCZOAOLLQLPN-ROUUACIJSA-N 442.581 3.955 0 40 IHAB COc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)C(C)C)cc1 11140507 JHMJXACVWCXVBV-NRFANRHFSA-N 443.931 3.869 0 40 IHAB O=C(Cc1ccc(Cl)c(Cl)c1)N1CCC(NS(=O)(=O)c2cccs2)CC1 11450650 FEEUYTAZQYTYNX-UHFFFAOYSA-N 433.382 3.567 0 40 IHAB Cc1ccc(C)c(CSc2nc(-c3ccc(F)cc3)nc3c2c(=O)n(C)c(=O)n3C)c1 11758211 HVHRMVQHAOJFDW-UHFFFAOYSA-N 436.512 3.742 0 40 IHAB CCCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)Cc3cccc(Cl)c3)ccc21 12180474 WJLIROCVXSLSLB-UHFFFAOYSA-N 442.990 3.774 0 40 IHAB CCOc1ccccc1OCCCC(=O)NCC(=O)Nc1ccccc1Br 12751858 CTMWXDFUENNJNT-UHFFFAOYSA-N 435.318 3.762 0 40 IHAB Cc1cc(NC(=O)c2ccc[nH]c2=S)ccc1NC(=O)c1cccc(S(C)(=O)=O)c1 12794889 IPKIRZHCSDKUIV-UHFFFAOYSA-N 441.534 3.961 0 40 IHAB CCOc1ccc(S(=O)(=O)NCCC(=O)N[C@H](C)c2cccc3ccccc23)cc1 12820888 IHYBSAQNOGRGBI-QGZVFWFLSA-N 426.538 3.784 0 40 IHAB CC(C)NC(=O)c1ccc2c(c1)N(CC(=O)Nc1ccccc1Cl)C(=O)C(C)(C)O2 12875803 VZRUMESTZKBNKB-UHFFFAOYSA-N 429.904 3.621 0 40 IHAB COc1cc(Cl)c(C)cc1NC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2C(C)C 12903805 GIQAKXVNNPQGID-QHCPKHFHSA-N 441.915 3.983 0 40 IHAB Fc1ccc([C@H](c2nnnn2CCc2ccccc2)N2CCN(c3ccccc3)CC2)cc1 13505463 XXVXGOUKEIMMNK-RUZDIDTESA-N 442.542 3.967 0 40 IHAB CCS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(Cl)cc2C(F)(F)F)Oc2ccccc21 13681998 XBUWEVDDMLLGTK-INIZCTEOSA-N 448.850 3.915 0 40 IHAB CCCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc21 15781365 GENZBZVXXSDPOD-UHFFFAOYSA-N 428.963 3.633 0 40 IHAB Cc1cc(C(F)(F)F)c2c(C3CCN(C(=O)COC[C@H]4CCCCO4)CC3)noc2n1 19569029 NJXOBOMCPFQHQS-OAHLLOKOSA-N 441.450 3.842 0 40 IHAB COc1ccccc1CC(=O)N1CC[C@@](Cc2ccccc2-c2cccs2)(C(N)=O)C1 19569442 DQYLLFLAEOWKQT-VWLOTQADSA-N 434.561 3.913 0 40 IHAB COc1ccc(CN2CCC(O)(Cn3cnc4sc(C)c(C)c4c3=O)CC2)c(C)c1C 19577298 OXTLUUFFTLJOTG-UHFFFAOYSA-N 441.597 3.727 0 40 IHAB COc1ncc([C@]2(O)CCC[C@H]3CN(Cc4ccccc4C(F)(F)F)C[C@@H]32)c(OC)n1 19594839 XSBMWMRBOQHPKG-UQASEVPWSA-N 437.462 3.632 0 40 IHAB Cc1nnc(NC(=O)[C@H](C)Sc2ccc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)O)cc2)s1 19644921 LFKPGRILDNNERB-UVBJJODRSA-N 446.554 3.571 0 40 IHAB CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CCN(S(=O)(=O)c2ccccc2Cl)C1 19702491 HFYPZODKEHSHNF-CYBMUJFWSA-N 449.985 3.830 0 40 IHAB COCCNC(=O)c1sc2ncccc2c1[C@@H]1CCN(Cc2cccc(C)c2OC)C1 19702605 VGBTXVCSKNVYGY-QGZVFWFLSA-N 439.581 3.979 0 40 IHAB Cc1nc([C@@H]2CCCCN2CC(=O)N(Cc2ccccc2)C(C)C)nc2c1CCC(=O)N2C 19741137 BZGJIFNHIYKVFS-QFIPXVFZSA-N 449.599 3.658 0 40 IHAB Cc1ccc([C@@H]2CCCN2C(=O)c2cccn(CC(=O)NC3CCCCC3)c2=O)cc1C 19750025 AVTDPCDFSWHDQI-QHCPKHFHSA-N 435.568 3.891 0 40 IHAB CN(c1ccc(OCC(=O)NCc2ccccc2Cl)cc1)S(=O)(=O)c1ccccc1 19937819 DBWFCGMNXABPNS-UHFFFAOYSA-N 444.940 3.860 0 40 IHAB CCCCCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(Cl)c1 20006434 BXXFQJVDEJAGJM-LJQANCHMSA-N 438.977 3.545 0 40 IHAB COc1ccc([C@@H](C)NC(=O)CCc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1OC 20024113 PHELCGODKRAQFK-MRXNPFEDSA-N 448.585 3.591 0 40 IHAB COc1cccc(CN(C)S(=O)(=O)c2ccc(Br)cc2Cl)c1OC 22458937 WPHRSBMBYQNLPV-UHFFFAOYSA-N 434.739 3.940 0 40 IHAB Oc1c([C@@H](c2ccc(Cl)cc2)N2CCC(O)CC2)sc2nc(-c3ccco3)nn12 22852005 QVANZYYGECWQGS-MRXNPFEDSA-N 430.917 3.956 0 40 IHAB COCCn1nnnc1[C@H](CC(C)C)N1CCN(C(c2ccccc2)c2ccccc2)CC1 22928839 KNSVJTSWPXFJGH-DEOSSOPVSA-N 448.615 3.814 0 40 IHAB O=C(NCCSCc1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 23743426 BSKVKWLRMRSODD-IBGZPJMESA-N 439.002 3.543 0 40 IHAB O=C(CSc1nnc(C2CC2)n1-c1ccccc1)N1CCN(Cc2ccccc2)CC1 23882235 HVFIZFLEFRGRMA-UHFFFAOYSA-N 433.581 3.581 0 40 IHAB O=c1c2ccccc2nc(CN2CCOCC2)n1Cc1nc(-c2cccc(F)c2)cs1 23956348 VFOCLPSJGQDGMR-UHFFFAOYSA-N 436.512 3.540 0 40 IHAB Cc1nc(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)sc1-c1nccn1C(F)F 24032314 QHTNBLPUFDIOBY-UHFFFAOYSA-N 431.424 3.616 0 40 IHAB O=C(Nc1cccc(NC(=O)c2cccs2)c1)c1cccc(N2CCCS2(=O)=O)c1 24033758 HQPWSLZVEMRPRX-UHFFFAOYSA-N 441.534 3.793 0 40 IHAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1cccc(CN2CCCC2=O)c1 24217321 DXQDHHHJBBNHDM-UHFFFAOYSA-N 447.457 3.917 0 40 IHAB O=C(Nc1cccc(I)c1)[C@H]1CCCCN1C(=O)c1cccs1 24990552 ZBUBLBWJRMQVKX-CQSZACIVSA-N 440.306 3.986 0 40 IHAB COc1cc(NC(=O)COc2ccc(Cl)c(Cl)c2)c(C(=O)N(C)C)cc1OC 25222788 SLVKUSKFFNLWQO-UHFFFAOYSA-N 427.284 3.730 0 40 IHAB COc1ccc(CN(Cc2nc(-c3cccs3)oc2C)[C@@H]2CCS(=O)(=O)C2)cc1 27654101 NYOAVMQBXBIWHZ-QGZVFWFLSA-N 432.567 3.909 0 40 IHAB COc1ccc(C(=O)CSc2ccc(S(=O)(=O)N3CCCCC3)cn2)cc1Cl 31747042 DFYPQDPQSAZDTE-UHFFFAOYSA-N 440.974 3.893 0 40 IHAB CCOC(=O)C1=C(C)NC(Sc2nc(C)cc(CNC)c2C#N)=N[C@H]1c1ccccc1 33525365 HLLNGRHEVCDFMQ-FQEVSTJZSA-N 435.553 3.611 0 40 IHAB COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)cc1OC 35151426 WTZPWQVOGOJFRJ-CAOOACKPSA-N 434.420 3.657 0 40 IHAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)Nc1ccc(Oc3ccccc3)cc1)O2 38834438 ZORCYTROWXELIE-JOCHJYFZSA-N 438.505 3.953 0 40 IHAB Cc1nc2ncnn2c(C)c1CCC(=O)Nc1ccc2[nH]c(-c3ccc(F)cc3)nc2c1 40114449 CQEMCNJQNRAABH-UHFFFAOYSA-N 429.459 3.995 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)c(Cl)c1 44846435 NXLCXBNPDZBJAJ-UHFFFAOYSA-N 438.933 3.538 0 40 IHAB CCOc1ccc(CCC(=O)Nc2cc(C(=O)OC)ccc2C(=O)OC)cc1OCC 44880044 MBAJRWRUORGHSP-UHFFFAOYSA-N 429.469 3.629 0 40 IHAB Cc1cc(C)cc(-n2c(=O)c3sccc3n(CC(=O)N[C@H]3CCc4ccccc43)c2=O)c1 57492386 UAIVNJNBECGQEX-FQEVSTJZSA-N 445.544 3.634 0 40 IHAB Cn1cc(-c2nc(C(=O)Nc3nc(-c4ccc5c(c4)OCCO5)cs3)cs2)cn1 58045805 ZZVDSXYFNPKLBU-UHFFFAOYSA-N 425.495 3.691 0 40 IHAB COc1ccc([C@@H]2CC(=O)Nc3c(C(=O)O)cn(-c4ccccc4F)c32)c(OC)c1OC 61719465 ZEOAOHGRACBVJI-ZDUSSCGKSA-N 440.427 3.815 0 40 IHAB COc1cc2c(cc1-c1nnc(SCC(=O)Nc3ccc(F)cc3)n1C)OCCCO2 64986930 ISMYOQSXNKRMFS-UHFFFAOYSA-N 444.488 3.522 0 40 IHAB CC(=O)c1cccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2-c2ccccc2)c1 67236806 QQFRCCAOXGXDKG-UHFFFAOYSA-N 432.505 3.956 0 40 IHAB CCOc1cccc(CNC(=O)c2nnn(-c3cccc(OC)c3)c2-c2ccncc2)c1 67261753 XILHLIYWHSANJF-UHFFFAOYSA-N 429.480 3.667 0 40 IHAB Cc1cc2nc([C@@H]3CCCN(C(=O)c4n[nH]c5c4CCCC5)C3)cc(C(F)(F)F)n2n1 72340932 YIWNCOUXRWKZII-CYBMUJFWSA-N 432.450 3.678 0 40 IHAB CN1CCN(c2ncc(-c3ccncc3)c([C@H]3CCCN(C(=O)C4CCCCC4)C3)n2)CC1 72348021 RSERVYIKUWRUOO-QFIPXVFZSA-N 448.615 3.577 0 40 IHAB C[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)C(=O)Cc1ccccc1 89368682 WXFPPGCVDDLENV-MRXNPFEDSA-N 440.496 3.557 0 40 IHAB O=C(c1ccc(Cn2ccccc2=O)o1)N1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 89834939 RCTGAWVVXCJCAZ-GMAHTHKFSA-N 431.536 3.616 0 40 IHAB COC(=O)[C@@H]1c2ccccc2CCN1CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 95405164 NLGQBPSPAOZWAG-CVDCTZTESA-N 449.532 3.791 0 40 IHAB CC[C@H](NC(=O)Nc1ccc(C(=O)N2CCOCC2)cc1)c1nc(-c2ccccc2)c[nH]1 95460875 UIZSTHPKYFDKDC-FQEVSTJZSA-N 433.512 3.822 0 40 IHAB CC(C)Cn1cc(C(=O)NCCCCCc2nnc3ccccn23)c2ccccc2c1=O 95479110 OJRIDELKGZOZCJ-UHFFFAOYSA-N 431.540 3.843 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)N[C@H](CC(C)C)c2nc(-c3nc[nH]n3)no2)cc1 96006812 NXTGFVBSDQUWOZ-MRXNPFEDSA-N 441.492 3.721 0 40 IHAB CC(C)(C)OC(=O)[C@H]1CCCN(C(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)C1 97145732 BGICGSOOTLLAKM-AWEZNQCLSA-N 431.483 3.833 0 40 IHAB COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 102862039 KJVGAKSWUZWNON-RJGXRXQPSA-N 430.460 3.755 0 40 IHAB COC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 220246354 HUXVPYBLMISDPQ-LLVKDONJSA-N 445.324 3.573 0 40 IHAB COCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 223489683 WAHHTXOIVPJMDV-RUZDIDTESA-N 434.511 3.901 0 40 IHAB O=S(=O)(Cc1ccccc1Cl)NCc1nc(-c2cccc(Br)c2)no1 223642152 BVVHMMPKZBUCPL-UHFFFAOYSA-N 442.722 3.772 0 40 IHAB Cc1ccc(C)c(OCCNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c1 224005068 NLJITJPHYQZSJO-UHFFFAOYSA-N 430.570 3.595 0 40 IHAB CC[C@@H](C(=O)NCCOc1cc(C)ccc1C)N(c1cc(C)ccc1C)S(C)(=O)=O 224035333 QTXQPQNHEHLMIK-FQEVSTJZSA-N 432.586 3.660 0 40 IHAB COc1ccc(S(=O)(=O)NC[C@H](C)c2ccccc2)cc1C(=O)N1CCCCCC1 224036527 NVUYXKPJQIKOKG-SFHVURJKSA-N 430.570 3.793 0 40 IHAB Cc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1N(C)S(=O)(=O)c1ccccc1 224290495 LTFSNQXJHJLOSA-UHFFFAOYSA-N 449.576 3.783 0 40 IHAB O=C(NCCOCc1ccccc1)C1CCN(Cc2ccc(Br)cc2)CC1 224547472 YSAFMYMOENMYSV-UHFFFAOYSA-N 431.374 3.994 0 40 IHAB O=C(c1snnc1-c1ccc(Br)cc1)N1CCN(Cc2ccccc2)CC1 225785292 DECVKCHBUVJAHU-UHFFFAOYSA-N 443.370 3.926 0 40 IHAB O=C(Nc1ccccc1Cl)[C@H]1[C@H]2C=C[C@@]3(CN(CCc4c[nH]c5ccccc45)C(=O)[C@H]13)O2 252694348 JKCDUQKQKPKOSA-KXEAFHOWSA-N 447.922 3.785 0 40 IHAB CCOc1cccc2c1OC(C)(C)[C@@H]1C[C@@H]3CN(C(=O)CCCC(=O)O)CC[C@H]3O[C@@H]21 257268213 MKSKFDRXMUFKQE-KLSTYFJDSA-N 431.529 3.806 0 40 IHAB Cc1cccc(C)c1NC(=O)COC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C)C=CC[C@H]3C2=O)cc1 408668664 VJHFYPOUNAVPBX-QPJICYPMSA-N 446.503 3.801 0 40 IHAB Cc1cccc(NC(=O)CSc2nnc([C@H](C)NC(=O)c3ccc(Cl)cc3)n2C)c1 409328707 AFONYPKTTLAVNK-AWEZNQCLSA-N 443.960 3.999 0 40 IHAB CCC[C@H](C)NC(=O)CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1 409388903 NRJUGBIYEAGRIG-HNNXBMFYSA-N 426.941 3.975 0 40 IHAB COc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2cc(C)ccc2OC)cc1 409389771 SBDMMSSBQREEKV-UHFFFAOYSA-N 440.521 3.846 0 40 IHAB O=C1NC(=O)c2cc(C(=O)N3CCCCC[C@H]3c3noc(-c4ccc(F)cc4)n3)ccc21 501830743 TZHMWXVHNANDOW-SFHVURJKSA-N 434.427 3.517 0 40 IHAB CN1c2ccccc2N(C2CCN(Cc3ccc(Br)cc3)CC2)S1(=O)=O 575414197 NWWLHJNHYXSBKR-UHFFFAOYSA-N 436.375 3.615 0 40 IHAB Cc1n[nH]cc1C1CCN(C(=O)C(=O)Nc2ccccc2COCc2ccccc2)CC1 578559172 VAEWFPSXWCDVGY-UHFFFAOYSA-N 432.524 3.780 0 40 IHAB Cc1ccc(CC(=O)N2CC[C@]3(CCc4nnc(C(=O)Nc5ccccc5)n4CC3)C2)cc1 585106756 HNQMBDVQDNMNBB-SANMLTNESA-N 443.551 3.637 0 40 IHAB O=C1CO[C@]2(CCCN(C(=O)c3cc4ccc(F)cc4[nH]3)CC2)CN1Cc1ccccc1 585261817 QLYVVSZLHKTQRW-VWLOTQADSA-N 435.499 3.731 0 40 IHAB C[C@@H](CNC(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1)N1CCc2sccc2C1 606766347 GFKYENLOTMWZDC-ZDUSSCGKSA-N 435.475 3.524 0 40 IHAB CCN(CC)c1nc2sc(C(=O)N3CCNC(=O)[C@@H]3c3ccccc3F)cc2s1 680131879 PXNHDVSHWNHVED-INIZCTEOSA-N 432.546 3.656 0 40 IHAB CN(Cc1ccccc1)[C@H](CNS(=O)(=O)c1cnc(-c2ccccc2)s1)C1CC1 1622055617 LNDPDRNNCBUTHB-HXUWFJFHSA-N 427.595 3.999 0 40 IHAB CCOc1ccccc1N1C[C@H](C(=O)Nc2cc(-c3cc(F)cc(F)c3)[nH]n2)CC1=O 1629935038 QMZYXRRJCCZGDM-CQSZACIVSA-N 426.423 3.745 0 40 IHAB O=C(Nc1cccc(-c2ccc(F)c(F)c2)c1)N1CCC[C@H](N2CCCS2(=O)=O)C1 1670058938 LZHSGVBVILSRLK-SFHVURJKSA-N 435.496 3.664 0 40 IHAB O=C(Cc1cccnc1)N1CCC(COc2ccccc2)(CC(=O)N2CCCCC2)CC1 2037905510 TVYYPLAMPTXWMJ-UHFFFAOYSA-N 435.568 3.715 0 40 IHAB Cc1ccc(C(=O)COC(=O)c2ccccc2N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1C 990855 SWRWWTDDKKIXBK-SGNKAXLRSA-N 429.472 3.655 0 40 IHAB Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)C(C)C)CC3)cc2)cc1C 1267273 USVDICVGFLJDAW-UHFFFAOYSA-N 438.597 3.735 0 40 IHAB COc1ccccc1CN(Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C(=O)c1ccco1 1377565 GRPJXJZKBDHUJE-UHFFFAOYSA-N 448.475 3.990 0 40 IHAB O=C(/C=C/c1ccco1)NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 2235263 OZBJPMHOIRUQHG-GQCTYLIASA-N 425.432 3.661 0 40 IHAB COc1ccc([C@H]2CC(=O)c3cnc(N4CCN(c5ccccc5)CC4)nc3C2)cc1OC 2439031 CXSYGQQUUBZIFZ-LJQANCHMSA-N 444.535 3.733 0 40 IHAB CN(C)[C@H](CNC(=O)c1ccccc1SCC(=O)NCc1ccco1)c1ccccc1 2633111 UAVFAEJWOKATFV-OAQYLSRUSA-N 437.565 3.721 0 40 IHAB O=C(N[C@@H](Cc1ccccc1)C(=O)O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccco1 2949421 ILXJLBDYUHHFTO-LJLZWOEMSA-N 438.867 3.516 0 40 IHAB O=C(NCCSc1ccccn1)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 6446561 KXXMLNXASIZDHX-UHFFFAOYSA-N 432.593 3.926 0 40 IHAB COc1c(Cl)cc(C(=O)N(Cc2cccc(F)c2)[C@H]2CCS(=O)(=O)C2)cc1Cl 8867998 VSGYWYJWWCYDQU-HNNXBMFYSA-N 446.327 3.971 0 40 IHAB Cc1cc(C(=O)CSc2nnc(C3CC3)n2C)c(C)n1C[C@H]1COc2ccccc2O1 9256289 FSLJSTOCZPSRDQ-KRWDZBQOSA-N 438.553 3.926 0 40 IHAB O=C(Nc1cccc(C(=O)NC2CC2)c1)c1cccc(NS(=O)(=O)c2ccccc2)c1 9514421 UYQBWWQNBNEZNU-UHFFFAOYSA-N 435.505 3.632 0 40 IHAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1ccc(N2CCOCC2)cc1 10055642 PSXKPYMVBCMMSF-UHFFFAOYSA-N 429.524 3.907 0 40 IHAB CCOc1ccccc1CCCNS(=O)(=O)c1ccc(OC)c(Br)c1 10111007 MNPGYQULMNYTJO-UHFFFAOYSA-N 428.348 3.768 0 40 IHAB COc1ccc(OC)c(NC(=O)CCCN(c2cc(Cl)ccc2C)S(C)(=O)=O)c1 10368552 CUIYAZYEPVNJRI-UHFFFAOYSA-N 440.949 3.851 0 40 IHAB CCOC(=O)c1cccc(NC(=O)CCCN(c2ccc(C)c(C)c2)S(C)(=O)=O)c1C 10443559 RZBMGZZRRJTQLX-UHFFFAOYSA-N 446.569 3.973 0 40 IHAB CC(C)(C)Nc1c(C2CCN(C(=O)COc3cccnc3)CC2)nc2ccc(F)cn12 12087490 WUZHWHZNVQSEEQ-UHFFFAOYSA-N 425.508 3.864 0 40 IHAB COc1cc(-c2cnc(N(C)CCc3ccccn3)nc2-c2cccs2)nc(OC)n1 12222428 LDUYVZZYKZHZKQ-UHFFFAOYSA-N 434.525 3.753 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)[C@@H]1Cc2cc(Cl)ccc2O1 12630315 RRGISKKUYCHQGK-INIZCTEOSA-N 435.914 3.540 0 40 IHAB O=C(Cn1ncc2ccccc2c1=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl 12854771 GSJOARLXXJNFGP-UHFFFAOYSA-N 428.279 3.587 0 40 IHAB O=C(COc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)N1CC[C@@]2(O)CCCC[C@H]2C1 12864282 IWUZQZGLZRNHSL-OWJWWREXSA-N 445.943 3.858 0 40 IHAB biogenic O=C(CCNS(=O)(=O)c1ccccc1C(F)(F)F)NCCCSc1ccccc1 12888981 FXAGUDYRFUBNED-UHFFFAOYSA-N 446.516 3.672 0 40 IHAB CCOC(=O)c1ccc(OC[C@H](O)Cn2nc3c4c(cccc42)C(=O)c2ccccc2-3)cc1 12898592 XMJRVYPPKJCPCU-QGZVFWFLSA-N 442.471 3.864 0 40 IHAB COc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 13113235 GFJBFXXVXYSZAF-UHFFFAOYSA-N 432.542 3.668 0 40 IHAB CCC(C)(C)n1nnnc1[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccco2)CC1 13504113 ZRYADLDKRHQJDM-IBGZPJMESA-N 442.951 3.612 0 40 IHAB COc1ccc(NS(=O)(=O)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2C)cc1 13528158 BUWANKARAGHZHF-UHFFFAOYSA-N 446.550 3.914 0 40 IHAB COc1ccc(CNC(=O)[C@H](OC(=O)c2cc3sccc3n2C)c2ccccn2)cc1 13561532 OURALMCFFBSOIG-OAQYLSRUSA-N 435.505 3.858 0 40 IHAB CC[C@H](C(=O)Nc1ccccc1C(=O)N(CC)CC)N(c1ccc(C)cc1)S(C)(=O)=O 13713838 AQGDGBJSSLKVNW-OAQYLSRUSA-N 445.585 3.660 0 40 IHAB Cc1cccc2c1OC1(CCN(S(C)(=O)=O)CC1)N1N=C(c3ccc(Cl)cc3)C[C@@H]21 13805406 IJPNUJIOHRCEAT-FQEVSTJZSA-N 445.972 3.944 0 40 IHAB CS(=O)(=O)N(CCCC(=O)Nc1ccc(Br)cc1F)c1ccccc1 13847441 IFOIMMVCINZEBA-UHFFFAOYSA-N 429.311 3.773 0 40 IHAB Cc1nc(-c2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)cc2)cs1 14129151 ASUCUFJYYDSIIN-MRXNPFEDSA-N 435.505 3.881 0 40 IHAB CC[C@H](C)NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 15228330 MBUORKWNQNFTTN-RXVVDRJESA-N 426.513 3.720 0 40 IHAB Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)Nc4ccc5[nH]c(=O)[nH]c5c4)cc3C2=O)c1 15515081 ZDGFZVBOBJCIGA-UHFFFAOYSA-N 426.432 3.526 0 40 IHAB O=C(CNCc1ccc(Cl)cc1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl 15980766 GNEAYXRRCLIPOF-UHFFFAOYSA-N 442.368 3.506 0 40 IHAB COc1cccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@H]4C3=O)cc2)c1 17988327 NTYHAIHECWWSLF-IPHXSNPTSA-N 435.476 3.661 0 40 IHAB CCOc1cc2c(cc1NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1C)O[C@@H](C)C2 18238498 VPVVJBYERUGPLC-INIZCTEOSA-N 446.569 4.000 0 40 IHAB COc1ccc(NC(C)=O)cc1NC(=O)COC(=O)CCC(=O)c1ccc(SC)cc1 19131154 LGHLAWMELUCQLN-UHFFFAOYSA-N 444.509 3.520 0 40 IHAB O=C(c1ccc(F)cc1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CN(C1CCCCC1)CC2 19332047 ZYNWWGHOUGCCPE-QFIPXVFZSA-N 438.547 3.967 0 40 IHAB Cc1n[nH]c(C)c1CCC(=O)N1CCC(n2c(C)nc3sc(C)c(C)c3c2=O)CC1 19561181 JHHRUBWINVOGQP-UHFFFAOYSA-N 427.574 3.520 0 40 IHAB COc1cccc2c(C)c(C(=O)N3CCC(c4ccc(-c5cnc(N)nc5)cn4)CC3)[nH]c12 19689106 OHGMYNNBVVXDKT-UHFFFAOYSA-N 442.523 3.939 0 40 IHAB CC(=O)N1CCc2nc([C@@H]3CCCN3C)nc(NCCc3ccc(C(F)(F)F)cc3)c2C1 19710821 UAENHTSVVWBAHM-FQEVSTJZSA-N 447.505 3.821 0 40 IHAB Cc1ccc(NC(=O)CSc2nc3c(=O)[nH]cnc3n2-c2ccccc2)c(Cl)c1 20357106 JIHAJWPZAVBWEV-UHFFFAOYSA-N 425.901 3.801 0 40 IHAB O=C(CCc1ccccc1)Nc1ccc(C(=O)OCc2cc(=O)n3ccsc3n2)cc1 21632666 GIZWZQIMCBMSLP-UHFFFAOYSA-N 433.489 3.684 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)Nc1c(F)cccc1F 22248697 YLEOJGLUXKYNNQ-UHFFFAOYSA-N 432.876 3.666 0 40 IHAB Cc1ccc(C)c([C@H](C)NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)c1 22339248 BHBPQBBNCQJZCP-HNNXBMFYSA-N 439.375 3.709 0 40 IHAB COc1ccc(-c2nn3c(N4CCN(c5ccccn5)CC4)cc(C)nc3c2C)cc1OC 23118842 NARPMWDTNCNZDP-UHFFFAOYSA-N 444.539 3.752 0 40 IHAB COc1ccc(CC(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)c(OC)c1OC 24834946 OGRFXEWAZFADQY-QFIPXVFZSA-N 429.513 3.930 0 40 IHAB Cc1nc(C)c(C(=O)Nc2cccc(S(=O)(=O)N3CCc4sccc4C3)c2)s1 25756890 PQUZEDJVFWYYPC-UHFFFAOYSA-N 433.580 3.821 0 40 IHAB COc1cccc(N2CCN(Cc3nnc(-c4ccccc4Br)o3)CC2)c1 30963864 XXMZWSLFHVLJFB-UHFFFAOYSA-N 429.318 3.830 0 40 IHAB CSc1ccccc1NC(=O)CN(C)CC(=O)Nc1c(C)nn(-c2ccccc2)c1C 31036794 DUKUAOMJJXVUFF-UHFFFAOYSA-N 437.569 3.720 0 40 IHAB COc1ccc(N(Cc2cccs2)C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 32678617 YIRXNZYKASMHDR-UHFFFAOYSA-N 430.551 3.854 0 40 IHAB COc1ccc(OCc2nnc(SCc3cc(=O)c4cc(F)ccc4[nH]3)n2C)cc1 33067721 PWPPGRQWEYTNRS-UHFFFAOYSA-N 426.473 3.676 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3F)cc2)cc1 33718680 ZLRRRZVOEYLHDB-UHFFFAOYSA-N 430.457 3.653 0 40 IHAB COc1ccccc1N(CC(=O)N[C@@H]1CCCC[C@H]1C)S(=O)(=O)c1ccc(C)cc1 36408663 YPFCQWXLVUUICW-UYAOXDASSA-N 430.570 3.894 0 40 IHAB O=C(c1cnc2ccccc2n1)N1CCN(Cc2nc(-c3ccc(F)cc3)cs2)CC1 36704707 NYQRHURVZLPBRV-UHFFFAOYSA-N 433.512 3.850 0 40 IHAB COC(=O)[C@@H](CCSC)NC(=O)c1nc(SCc2ccc(C)cc2)ncc1Cl 41156285 KUATXZYFPXVLPL-OAHLLOKOSA-N 439.990 3.755 0 40 IHAB CN1CCN(CCNC(=O)COC(c2ccccc2)c2ccccc2)[C@H](c2ccccc2)C1 48303173 VSNWMKAKMQKOLZ-SANMLTNESA-N 443.591 3.898 0 40 IHAB O=C(Cn1cnc(-c2ccc(Cl)cc2)cc1=O)NCc1ccccc1OC(F)(F)F 49343582 XDDUOHHQAWBXMC-UHFFFAOYSA-N 437.805 3.779 0 40 IHAB CCCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(OC)c(Cl)c2)c1=O 51357680 YFMXGIBMWAIUAM-UHFFFAOYSA-N 429.904 3.654 0 40 IHAB O=S1(=O)CC[C@H](Cc2nc3ccccc3n2C[C@@H](O)c2ccccc2C(F)(F)F)C1 58402517 PJLMCMOPZZEENE-AUUYWEPGSA-N 438.471 3.766 0 40 IHAB O=C(CNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1)Nc1cc(Cl)ccc1Cl 60512745 AXCWMGBHUVZPLF-UHFFFAOYSA-N 435.094 3.994 0 40 IHAB Cc1ccc2c(c1)N(S(C)(=O)=O)CC[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)O2 64988674 VMQIOOBDKJWWNI-KRWDZBQOSA-N 428.432 3.570 0 40 IHAB O=C(c1ccc(O)cc1)C1CCN(C(=O)NC2CCN(c3ccc(F)cc3)CC2)CC1 65519701 ASZMHKKJZQYOHQ-UHFFFAOYSA-N 425.504 3.805 0 40 IHAB CC[C@H](C)n1c(SCC(=O)Nc2ccc(C(=O)OC)cc2)nc2cc(C)[nH]c2c1=O 67239094 MAPTXHYAGFSMGB-ZDUSSCGKSA-N 428.514 3.521 0 40 IHAB COc1ccc([C@H](C)NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2C(C)C)cc1OC 67319384 YNBREZQSQRPVJK-AWEZNQCLSA-N 444.557 3.601 0 40 IHAB O=C1N[C@@]2(COC3(CCN(Cc4cccc5nccnc45)CC3)C2)Nc2ccc(Cl)cc21 72325611 HVVYSIVIZVJLRD-DEOSSOPVSA-N 449.942 3.590 0 40 IHAB CCN(CC)Cc1cc(CN2CCc3nc(-c4ccccn4)nc(O)c3C2)ccc1OC 72339891 JKIJKEKNJYWFHL-UHFFFAOYSA-N 433.556 3.653 0 40 IHAB Cc1cnccc1-c1cnc(N(C)C)nc1[C@@H]1CCCCN1C(=O)CCc1ccncc1 72341488 MNIDOJDTMNPZHD-QFIPXVFZSA-N 430.556 3.994 0 40 IHAB CCC(C)(C)NC(=O)CCc1c(C)nc2cc([C@H]3CCCN3C(=O)C3CC3)nn2c1C 72351314 ZDWYYPBOFSJJHI-HXUWFJFHSA-N 425.577 3.657 0 40 IHAB CS(=O)(=O)NCC[C@@H]1CCCCN1c1ncnc2scc(-c3ccc(F)cc3)c12 79017456 SEPCSIFHBSIMMS-INIZCTEOSA-N 434.562 3.796 0 40 IHAB Cc1ccc(Cn2c(-c3ccc4ccccc4c3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1 96347332 YXOSUTMCJTVRNQ-UHFFFAOYSA-N 449.514 3.863 0 40 IHAB Cc1oc(-c2cccc(Cl)c2)nc1CN1N=N[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 101172415 AUCZVAMQLCTTNC-QZTJIDSGSA-N 439.834 3.936 0 40 IHAB Cc1nn(Cc2ccc(Br)cc2)c(C)c1NC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 102023610 KPXZNHZJKZYRBU-LAQRGFTBSA-N 444.329 3.772 0 40 IHAB COc1cc([C@H]2CC(=O)c3cnc(N4C[C@@H](C)C[C@H](C)C4)nc3C2)cc(OC)c1OC 102758513 GVWJAGGCRKUJBW-HRCADAONSA-N 425.529 3.897 0 40 IHAB CCn1c(SCC(=O)Nc2ccccc2F)nnc1[C@H](C)NC(=O)c1ccccc1C 107912474 NZGHHHDMALESAN-HNNXBMFYSA-N 441.532 3.967 0 40 IHAB COc1ccc(N([C@H](C)C(=O)N(C)Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1Cl 216318611 RNFQEJBWJOIKGV-CYBMUJFWSA-N 445.368 3.815 0 40 IHAB CCOC(=O)c1ccc(C)c(NC(=O)c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)c1 220001946 VHSVIUOAJCXUEC-UHFFFAOYSA-N 444.553 3.845 0 40 IHAB CCOc1ccc(NC(=O)[C@H](CC)N(c2cc(Cl)ccc2OC)S(C)(=O)=O)cc1 220755696 YIWUCNGNJJRCMC-KRWDZBQOSA-N 440.949 3.931 0 40 IHAB COc1ccc(Cl)cc1NC(=O)CCCN(c1ccccc1OC)S(C)(=O)=O 222578896 XKEAUKAEDYPIRP-UHFFFAOYSA-N 426.922 3.542 0 40 IHAB CC(C)(Cc1ccccc1)NC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 223194270 QXBSYOWIHKEBMD-UHFFFAOYSA-N 429.369 3.897 0 40 IHAB Cc1cccc(C)c1N(CC(=O)NCCOc1ccc(C(C)(C)C)cc1)S(C)(=O)=O 223691370 VPMJOWSWXYXUNX-UHFFFAOYSA-N 432.586 3.562 0 40 IHAB CSc1ccc(S(=O)(=O)N(C)Cc2ccc(F)cc2)cc1C(=O)N1CCCCC1 223892013 LYVTVEGCGMHPSN-UHFFFAOYSA-N 436.574 3.994 0 40 IHAB C[C@@H](CNC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1)c1ccccc1 223995404 KLWLXBPJYCZCTP-MBSDFSHPSA-N 436.533 3.563 0 40 IHAB CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCCOc1ccc(OC)cc1 225061299 CDCDVCOEEMBUHX-FQEVSTJZSA-N 426.557 3.840 0 40 IHAB CS(=O)(=O)N(CC(=O)NCCCc1ccc(Cl)cc1)Cc1ccccc1Cl 225376125 MASBKQAFGXZQPI-UHFFFAOYSA-N 429.369 3.504 0 40 IHAB CCCOc1ccccc1CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 225511583 GRILFNGKWGIPGA-OAQYLSRUSA-N 444.597 3.625 0 40 IHAB CC[C@H]1CCCCN1CCCNS(=O)(=O)c1ccc2c(c1)sc(=O)n2C(C)C 225716222 UYYAKRQGODBTNI-INIZCTEOSA-N 425.620 3.577 0 40 IHAB CC[C@H](NC(=O)CCc1cc(S(=O)(=O)N2CCCC2)ccc1OC)c1ccc(C)cc1 225871813 NTWGVYQDCZWEAB-QFIPXVFZSA-N 444.597 3.988 0 40 IHAB Cc1nc2cc([C@H]3CCN(C(=O)CC4CCCC4)C3)nn2c(C)c1CCC(=O)NC(C)C 257301476 RYOHINMQXFXTDH-FQEVSTJZSA-N 439.604 3.700 0 40 IHAB Cc1ccc(C)c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)cc2)c1 408659213 MHRURBMEBZRTDU-ZRGHVXQMSA-N 446.503 3.634 0 40 IHAB CCCC[C@@H](C(=O)OCC(=O)Nc1cccc(Cl)c1)N1C(=O)c2ccccc2C1=O 408663779 OSNNWHVOSCDJNT-SFHVURJKSA-N 428.872 3.677 0 40 IHAB COc1ccc(NC(=O)C2CCN(C(=O)c3c(OC)cccc3OC)CC2)cc1Cl 409022928 IGGSBDOCTAWMKS-UHFFFAOYSA-N 432.904 3.857 0 40 IHAB CCOc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)cc1OC 409160337 UHKWEVLAJHOBRV-XDHOZWIPSA-N 442.493 3.778 0 40 IHAB Cc1ccncc1N1CCN(C(=O)c2cn(C3CC3)c3cc(Cl)c(F)cc3c2=O)CC1 500662299 KAKXDFHEMXRRHB-UHFFFAOYSA-N 440.906 3.795 0 40 IHAB CCOc1ccc(Cc2cc(C(=O)[C@@H]3O[C@@H]4OC(C)(C)O[C@H]4[C@@H]3O)ccc2Cl)cc1 504093953 TUBVOYXRJBKZBN-CLAROIROSA-N 432.900 3.750 0 40 IHAB CNC(=O)[C@H]1CCCN(C(=O)c2cc(-c3cccc(C(F)(F)F)c3)nc3onc(C)c23)C1 523138575 ZTKDNDKENHJMHE-AWEZNQCLSA-N 446.429 3.815 0 40 IHAB Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)N2CCC[C@H](c3nn[nH]n3)C2)cc1 540425646 ZRLMJMWVXFXVDM-KRWDZBQOSA-N 431.475 3.520 0 40 IHAB CN(C)C(=O)C[C@H]1CN(C(=O)CCCc2ccc3nc(O)[nH]c3c2)c2ccc(Cl)cc21 607517921 UDVFADYELAVARK-HNNXBMFYSA-N 440.931 3.853 0 40 IHAB O=C(NCCOc1ccccc1)c1ccc2c(c1)Cc1cccc(c1)CNCCOCCO2 643584740 RAUAJULMRRFYPN-UHFFFAOYSA-N 446.547 3.585 0 40 IHAB O=S(=O)(c1ccccc1Cl)N1[C@H]2CC[C@H]1CC(n1cc(Br)cn1)C2 1775974302 FSMUUHSYSBMVNC-STQMWFEESA-N 430.755 3.856 0 40 IHAB O=C(NN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccccc1Cl 866651 YJBMGDPGZIJORN-LIKPIUCQSA-N 428.875 3.877 0 40 IHAB Cc1nc(C(=O)Nc2ccccc2N2CCOCC2)nn1-c1cc(Cl)cc(Cl)c1 1385722 LPNCYBBHCKCGCH-UHFFFAOYSA-N 432.311 3.971 0 40 IHAB CCOC(=O)N1CCN(c2nc(SC)nc3sc4c(c23)C[C@](C)(CC)OC4)CC1 2333415 RRICBHIBAGMKOT-FQEVSTJZSA-N 436.603 3.933 0 40 IHAB Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(Br)cc3C)CC2=O)cc1 2648322 RJYRBAZTHJIKIY-OAHLLOKOSA-N 445.313 3.601 0 40 IHAB CCOc1ccc(-n2c(SCC(=O)N3CCCC3)nc3c([nH]c4ccccc43)c2=O)cc1 2720806 DUMFNFUVCDWESG-UHFFFAOYSA-N 448.548 3.980 0 40 IHAB Cc1ccc(-n2nc3c(c2NC(=O)c2cccc(Br)c2)CS(=O)(=O)C3)cc1 3008535 RENVCCJFOUANFV-UHFFFAOYSA-N 446.326 3.624 0 40 IHAB CCOc1ccccc1NC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 3304102 UOCKSONGJQUZPJ-UHFFFAOYSA-N 429.476 3.519 0 40 IHAB CCn1c(SCC(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)nnc1-c1ccco1 3389054 IISSNOKSMQMKTK-NSHDSACASA-N 445.570 3.574 0 40 IHAB CC[C@@H]1CCCCN1C(=O)CSc1nc2ccccc2n1CC(=O)N1CCCCC1 4859178 WPKYWGRHICZCTN-GOSISDBHSA-N 428.602 3.932 0 40 IHAB O=S(=O)(c1ccccc1)c1nnn2c1nc(NCc1cccs1)c1sccc12 8589517 DOPDXKJFMWROQC-UHFFFAOYSA-N 427.536 3.845 0 40 IHAB CCOc1ccc(NC(=O)c2ccc(NC(=O)Cn3c(=O)cnc4ccccc43)cc2)cc1 8745167 JFJLQJAQIIDXNP-UHFFFAOYSA-N 442.475 3.686 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc2nc(NC(=O)c3cccc(N(C)C)c3)sc2c1 8790486 MGCZODBATSKEKK-UHFFFAOYSA-N 432.571 3.645 0 40 IHAB COc1ccccc1N1CCN(c2nc(Nc3ccc(F)cc3)c3nccnc3n2)CC1 9074053 XPWYHHWOEMENLC-UHFFFAOYSA-N 431.475 3.638 0 40 IHAB COc1ccc(C(=O)N/C(=C\c2cc3ccc(OC)cc3nc2Cl)C(=O)N(C)C)cc1 9253640 GASIXIQIIKSTFM-NDENLUEZSA-N 439.899 3.765 0 40 IHAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cn(CC(=O)O)c4ccccc34)C2=O)cc1 9265137 KMNJSHVBBSEWMH-VXLYETTFSA-N 449.488 3.709 0 40 IHAB COc1ccccc1NC(=O)Cn1cc(C(=O)c2ccc(C)cc2)c(=O)c2ccc(C)nc21 9267862 HMIFVHIBVXHZBN-UHFFFAOYSA-N 441.487 3.892 0 40 IHAB Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c(C)c1 9282928 GGMCPAUGPRDJOU-UHFFFAOYSA-N 440.487 3.777 0 40 IHAB Cc1cccc2cc(CN(C[C@H]3CCCO3)S(=O)(=O)c3ccc(Cl)cc3)c(=O)[nH]c12 9450721 VUSMUHSEZZCBFL-LJQANCHMSA-N 446.956 3.860 0 40 IHAB CCn1c2ccccc2c2cc(NC(=O)COC(=O)c3ccc(-n4cnnn4)cc3)ccc21 9469787 UBSYWTLCJHBLFL-UHFFFAOYSA-N 440.463 3.586 0 40 IHAB C[C@H](OC(=O)CCc1nc2ccccc2s1)C(=O)Nc1ccc(N2CCOCC2)cc1 9662247 HUJNDRFWWOZEEX-INIZCTEOSA-N 439.537 3.636 0 40 IHAB O=C(c1ccc(I)cc1)N1N=C2CCCC[C@@H]2[C@@]1(O)C(F)(F)F 9730684 WCTRGUYOHRBUIC-SMDDNHRTSA-N 438.187 3.544 0 40 IHAB COc1ccccc1CNc1nc2cc(OC)c(OC)cc2c2nc(-c3cccnc3)nn12 9831157 XJZJJFYVIGHACQ-UHFFFAOYSA-N 442.479 3.977 0 40 IHAB COc1ccc(-n2c(SCC(=O)NCc3ccc(F)cc3)nc3ccccc3c2=O)cc1 9845338 ARIQJSRIHZZCQN-UHFFFAOYSA-N 449.507 3.942 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](C)c3ccccc3)C2)cc1Cl 9974646 JBTSQPCXPACFQL-WBVHZDCISA-N 436.961 3.627 0 40 IHAB COc1cc(C(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc(OC)c1OC 10039383 AJQSPSSBAVDJHY-UHFFFAOYSA-N 432.432 3.765 0 40 IHAB CCN(CC)CCN1C(=O)c2oc3cc(OC)ccc3c(=O)c2[C@H]1c1ccc(OC)cc1 10233212 YRJJNARATNYEGQ-JOCHJYFZSA-N 436.508 3.697 0 40 IHAB CCOc1ccccc1NC(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 10366530 LAGDTPOTKYSIHH-UHFFFAOYSA-N 440.949 3.932 0 40 IHAB O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(NC(=O)C2CC2)cc1)c1ccccc1 10901794 RZZCLBXCZZEQNI-DEOSSOPVSA-N 441.531 3.693 0 40 IHAB CC1(C)CC(NC(=O)CCNS(=O)(=O)c2ccc(C3CCCCC3)cc2)CC(C)(C)N1 11423417 MJBBCRNPZXMNIH-UHFFFAOYSA-N 449.661 3.828 0 40 IHAB CCCCc1cc(=O)oc2cc(C)cc(OCC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)c12 11866920 WFOZOWBLYQCZSL-KBMIEXCESA-N 427.541 3.976 0 40 IHAB COc1ccc(-c2cc(C(=O)Nc3cccc(C)c3C)nn2[C@@H]2CCS(=O)(=O)C2)cc1 11996845 VRSLQHWVFIMJAS-GOSISDBHSA-N 439.537 3.787 0 40 IHAB Cc1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2Br)no1 12028742 YMQJHTKRVRGXTE-KRWDZBQOSA-N 428.286 3.725 0 40 IHAB O=C(CCCc1c[nH]c2ccccc12)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 12296832 XNAYFFAVIBCZTQ-UHFFFAOYSA-N 428.536 3.885 0 40 IHAB biogenic CC(=O)c1ccc(N2CCN(C(=O)[C@@H](C)Oc3ccc(Br)cc3)CC2)cc1 12558414 GHTQGIMXJOPGSZ-MRXNPFEDSA-N 431.330 3.768 0 40 IHAB O=C(C(c1ccccc1)c1ccccc1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 12697101 JJDKKLGFSGPWGF-LTGZKZEYSA-N 446.572 3.963 0 40 IHAB COc1ccc(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(F)(F)F)cn1 12741621 UWNBRGHEFNDNPN-UHFFFAOYSA-N 431.296 3.961 0 40 IHAB CCNC(=O)NC(=O)COc1cc2ccccc2cc1C(=O)Nc1cc(C)ccc1OC 13101326 RGXGDHKWRBNMRW-UHFFFAOYSA-N 435.480 3.634 0 40 IHAB COc1ccc([C@H]2C[C@@]3(CC(C)(C)NC(=S)N3)Oc3cc(O)cc(C)c32)cc1OC 13521670 BTCOZNHGOKWHSS-MWTRTKDXSA-N 428.554 3.975 0 40 IHAB COc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc2)cc1OC 13565843 PCDSBJAEBNKTNS-UHFFFAOYSA-N 434.448 3.980 0 40 IHAB COc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4F)[nH]c(=O)c32)c(OC)c1 13567369 RIAJNMSYAPOZQN-HNNXBMFYSA-N 441.484 3.693 0 40 IHAB COc1cc([C@@H]2CC(=O)Nc3c2c(=O)nc(SCc2cccc(C)c2)n3C)ccc1O 13567485 MNLRGLWAIAPIRJ-INIZCTEOSA-N 437.521 3.569 0 40 IHAB CC[C@H](NC(=O)CN(C)Cc1ccc2c(c1)OCCO2)c1ccc(Br)cc1 16381599 GWLMNMGLBDBMGE-SFHVURJKSA-N 433.346 3.920 0 40 IHAB O=C(COc1ccc(Cl)cc1Br)NC(=O)Nc1ccc2c(c1)OCO2 16654994 VNNMPTCSKBBSPA-UHFFFAOYSA-N 427.638 3.558 0 40 IHAB COc1cc(/C=c2\sc3nc(-c4ccc(C(C)(C)C)cc4)nn3c2=O)ccc1OC(C)=O 16732852 GQOFLBUFAMMNMR-MOSHPQCFSA-N 449.532 3.597 0 40 IHAB COc1ccccc1-n1ncc2c(O)nc(SCC(=O)Nc3cccc(C)c3C)nc21 17135631 CKROJNRKAWNJNM-UHFFFAOYSA-N 435.509 3.877 0 40 IHAB O=C(Cc1csc(-c2ccccn2)n1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 17336730 ZWXGWHADFSTLPC-UHFFFAOYSA-N 442.566 3.561 0 40 IHAB COc1cc(CNC(=O)COc2ccc(Cl)cc2Br)cc(OC)c1OC 18547187 NNMHNJYCZFDBKN-UHFFFAOYSA-N 444.709 3.824 0 40 IHAB Cc1cc(-c2cnc3cc(C)nn3c2[C@@H]2CCCN(CC(=O)N(C(C)C)C(C)C)C2)on1 19124112 OTWHISXVBUPTTA-LJQANCHMSA-N 438.576 3.826 0 40 IHAB O=C(Cc1ccc(F)cc1)N1CCCC[C@H]1c1nc(O)c2c(n1)CN(C1CCCC1)CC2 19333335 PZAWRDIHDHJBMD-QFIPXVFZSA-N 438.547 3.918 0 40 IHAB CCCSc1ncc(CN2CCC(c3ncc(Cl)cc3S(C)(=O)=O)CC2)cn1 19525207 CPMVGYVXHFRGRC-UHFFFAOYSA-N 441.022 3.810 0 40 IHAB COc1ccc(S(=O)(=O)Oc2ccc(C(=O)c3ccccc3)cc2)cc1NC(C)=O 19680939 NRMCIRZLGRYVDF-UHFFFAOYSA-N 425.462 3.652 0 40 IHAB CCCC(=O)N1CCC(c2nc(NC)cc([C@H]3CC(=O)N(c4ccc(F)cc4)C3)n2)CC1 19697320 XGPIYWKZTLUMOE-KRWDZBQOSA-N 439.535 3.684 0 40 IHAB Cc1nc([C@@H]2CCCN(Cc3ncc[nH]3)C2)nc2c1CCC(=O)N2CCCc1ccccc1 19741665 WQOWLXHNACFXJJ-OAQYLSRUSA-N 444.583 3.800 0 40 IHAB Cc1nc(C2CCN(C(=O)c3scnc3C)CC2)ncc1C(=O)Nc1ccc(F)cc1 19763956 NOBOXMBHELIIPQ-UHFFFAOYSA-N 439.516 3.961 0 40 IHAB Cc1ccc(C(=O)N2CCCC[C@@H]2c2ncc(C(=O)N(C)C)c(C)n2)cc1N1CCCC1 19765611 LWZGOMASYMYPGF-OAQYLSRUSA-N 435.572 3.763 0 40 IHAB CCOC(=O)c1c(NS(=O)(=O)Cc2ccc(C(=O)OC)cc2)sc2c1CCCC2 19934840 SDDYRTMDWGWDNF-UHFFFAOYSA-N 437.539 3.532 0 40 IHAB Cc1ccc(-c2nc3n(n2)[C@H](CC(=O)Nc2ccc(Br)cc2)C(=O)N3)cc1 20728115 WNBPYICPFWWDNY-OAHLLOKOSA-N 426.274 3.538 0 40 IHAB CCOc1ccc(CCCNC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1 22337330 DZSSMKUMYNMORX-UHFFFAOYSA-N 438.977 3.562 0 40 IHAB Cc1nc(SCC(=O)N2c3ccccc3OC[C@@H]2c2ccccc2)sc1CC(N)=O 22486880 LQQKAQTVCKEGGQ-QGZVFWFLSA-N 439.562 3.738 0 40 IHAB COc1ccc(-c2cn3c(CC(=O)N4CCN(Cc5ccccc5)CC4)csc3n2)cc1 22852762 GFJWIKWIJXRXIR-UHFFFAOYSA-N 446.576 3.958 0 40 IHAB Cc1ccc(NC(=O)[C@H](C)N2CCN(CCc3ccccc3)CC2)c(Br)c1 22912234 CHWOYLAOQFMDMS-SFHVURJKSA-N 430.390 3.945 0 40 IHAB CCOC(=O)c1c(NC(=O)CN2CCN(C)CC2)sc(C)c1-c1ccc(Cl)cc1 22927275 CGSJDKHGYUVYQS-UHFFFAOYSA-N 435.977 3.740 0 40 IHAB Cc1noc2nc(C3CC3)cc(C(=O)OCc3cc(=O)n4c5c(sc4n3)CCCC5)c12 24977292 DCFAOQKEIJKWEI-UHFFFAOYSA-N 436.493 3.714 0 40 IHAB COc1ccc(OC)c([C@@H](C)NC(=O)CSc2nc(C)c(C)n2C[C@H]2CCCO2)c1 27956317 SWBGUNLZVHDFAP-CRAIPNDOSA-N 433.574 3.666 0 40 IHAB C[C@@H]1CN(C(=O)c2ccccc2NC(=O)/C=C/c2cnn(-c3ccccc3)c2)C[C@@H](C)O1 27987110 OBMFHKHHTDIVGE-WTWCKAPFSA-N 430.508 3.774 0 40 IHAB CSc1nc2nc(C)c(CCC(=O)Nc3ccc(C(=O)NC(C)(C)C)cc3)c(C)n2n1 31079206 WOYQKFIYXAEECX-UHFFFAOYSA-N 440.573 3.563 0 40 IHAB C[C@@H](OC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)C(=O)c1cccc(Cl)c1 32842630 XKHSMXYZRPQDSW-UKRRQHHQSA-N 441.958 3.617 0 40 IHAB C[C@H]1CCN(C(=O)CN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)c2ccccc2S1 32859535 CDPIBTPOIFRGLP-XDHUDOTRSA-N 437.565 3.847 0 40 IHAB CCC(=O)c1ccc(OC[C@H](O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 32907316 IUKSTTTVCVYONS-GOEBONIOSA-N 426.538 3.615 0 40 IHAB CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 33040276 OVKUMFSBRGBRNM-QZTJIDSGSA-N 447.576 3.673 0 40 IHAB O=C(CCc1nnc2c(N3CCCCC3)nc3ccccc3n12)NCc1ccc(F)cc1 33282498 OLWTVTRYYKFTHG-UHFFFAOYSA-N 432.503 3.656 0 40 IHAB O=C(COc1cccc(/C=C2/C(=O)NC(=O)N=C2O)c1)Nc1ccc(Cl)c(Cl)c1 33734757 DSOOJVOQKHGIHL-UHFFFAOYSA-N 434.235 3.601 0 40 IHAB C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCC(C(=O)c5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C 36369558 ATJMZTVSABUEJR-XDATZUILSA-N 437.580 3.866 0 40 IHAB CC(C)[C@H](NC(=O)c1cccs1)C(=O)Nc1cc2c(cc1Br)OCCO2 36728777 LPIOSAOFELQBOB-INIZCTEOSA-N 439.331 3.675 0 40 IHAB O=C(COc1coc(CN2CCSCC2)cc1=O)Nc1ccc(Cl)c(Cl)c1 40287550 XLZGKAOWXGHVPY-UHFFFAOYSA-N 429.325 3.513 0 40 IHAB O=C(c1ccco1)N1CCN(c2nc3c(-c4ccc(Cl)cc4)csc3c(=O)[nH]2)CC1 44169387 XGNGQTFLWIOGJD-UHFFFAOYSA-N 440.912 3.860 0 40 IHAB O=C(NCc1ccccc1Cl)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 64985381 VMINCMQNBJQVIK-NRFANRHFSA-N 442.924 3.613 0 40 IHAB COc1ccc(Cl)cc1NC(=O)Cn1nnc(C(=O)Nc2ccc(C)c(F)c2)c1C 67322133 JKURCLCIHOCQTR-UHFFFAOYSA-N 431.855 3.587 0 40 IHAB O=C(NCCc1ccc(Cl)cc1)c1cn(-c2ccc(-c3nc(C4CC4)no3)cn2)cn1 71768292 PVQVDMLNNYQICP-UHFFFAOYSA-N 434.887 3.821 0 40 IHAB Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 90608237 KWJLOPLOYHBKQR-UHFFFAOYSA-N 435.493 3.512 0 40 IHAB COc1ccc([C@@H](CC(=O)O)NC(=O)c2cc(C)n(-c3nccs3)c2C)c(OC)c1 95989804 CEQADJLKSFJFKX-QGZVFWFLSA-N 429.498 3.514 0 40 IHAB CS(=O)(=O)[C@@](Cl)(I)C(=O)c1ccc(-c2ccccc2)cc1 96518227 LSTNPRFJVCRRGC-HNNXBMFYSA-N 434.682 3.909 0 40 IHAB O=C(N[C@@H]1C[C@@H]2CC[C@@H]1C2)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 100096906 VPYNFECTYSFPSG-ZXYWRSMDSA-N 445.412 3.840 0 40 IHAB CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)/N=c2\sc3ccccc3n2C)cc1 100821210 LHUSZDQTPUOKGJ-ANZZGNCFSA-N 443.594 3.934 0 40 IHAB CCCOC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2C)c1 166331560 RNYCLYNBUILKHH-UHFFFAOYSA-N 440.525 3.788 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3cccc4ccccc34)C2)cc1 201526499 KNCYSZHUJSGXOX-HXUWFJFHSA-N 438.549 3.566 0 40 IHAB CC[C@@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)COc1ccc(OC)cc1 224603759 FQMZHBMPWZKLDB-DEOSSOPVSA-N 438.568 3.983 0 40 IHAB CCOC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1cc(Cl)ccc1Cl 224932404 HXIFSEPHZZJERJ-UHFFFAOYSA-N 448.324 3.769 0 40 IHAB CSc1nnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)s1 225078612 AQOOUOYAKHLYBF-UHFFFAOYSA-N 440.959 3.967 0 40 IHAB COc1cc(C(=O)N2CCS/C2=C/c2nc3ccccc3n2C)cc(OC)c1OC 225236354 YVPAGEYNVXMWLA-DEDYPNTBSA-N 425.510 3.787 0 40 IHAB CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc2c(c1)OCO2 225419721 VTUZWYDVGPXTSL-NRFANRHFSA-N 440.540 3.690 0 40 IHAB CSc1ccc(S(=O)(=O)NCc2nc(-c3ccccc3)no2)cc1NC(=O)C(C)C 225476855 XAUYDVWEODLBKG-UHFFFAOYSA-N 446.554 3.532 0 40 IHAB C[C@@H]1CC[C@@H]2N(C[C@@H]3[C@H](CC[C@H]4[C@@H]5CC(=O)[C@H]6C[C@H](O)CC[C@@]6(C)[C@H]5C[C@H]43)[C@]2(C)O)C1 252460863 IQDIERHFZVCNRZ-WWULXUTLSA-N 429.645 3.886 0 40 IHAB biogenic COC(=O)C[C@H](c1ccncc1)c1c(O)cc(C)n(CCc2c[nH]c3ccccc23)c1=O 253397956 BTWIHGAFUIOEQO-HXUWFJFHSA-N 431.492 3.676 0 40 IHAB biogenic COc1ccccc1-c1ccccc1CN1CCC[C@@H](Cc2[nH]ncc2S(C)(=O)=O)C1 257213185 CGMHEOCGOJKPOU-SFHVURJKSA-N 439.581 3.944 0 40 IHAB COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCN(Cc3cccnc3N(C)C)C2)c1 257263178 LOTPGJADZWCHQS-IBGZPJMESA-N 432.572 3.669 0 40 IHAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N[C@H]3C[C@H]4CC[C@H]3C4)cc2C)cc1 260561404 DDYOIPDMHDKTAO-FIKGOQFSSA-N 428.554 3.747 0 40 IHAB COc1ccc(C)cc1N([C@H](C)C(=O)NCc1ccc2ccccc2c1)S(C)(=O)=O 260840378 UQNHILKIRGCQGO-QGZVFWFLSA-N 426.538 3.628 0 40 IHAB COc1ccc(N(CC(=O)Nc2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1Cl 408619355 LTXWZOJPNRTBQX-UHFFFAOYSA-N 426.922 3.541 0 40 IHAB CCn1c(SCC(=O)Nc2ccccc2F)nnc1[C@H](C)NC(=O)c1cccc(C)c1 409130133 LWBKOWHJGSTTIC-HNNXBMFYSA-N 441.532 3.967 0 40 IHAB COc1ccc(C)cc1NC(=O)CN1[C@H]2CCCC(=O)N[C@@]2(C)C[C@H]1Cc1ccccc1 585262206 SGTYCXPVKQHVPB-SEIBCYHCSA-N 435.568 3.687 0 40 IHAB COc1ccc(C(=O)N2CCCCN(C)C(=O)c3cc(Cl)ccc3OCC2)cc1F 643557010 UAIUSFYQDIDODR-UHFFFAOYSA-N 434.895 3.875 0 40 IHAB Cc1nc(N2CCC(Cn3c(C)nc4cc(F)ccc4c3=O)CC2)cc(C(F)(F)F)n1 1888890998 PAYWYEUZTJBLQS-UHFFFAOYSA-N 435.425 3.878 0 40 IHAB Cc1cc(OC[C@]2(O)CCCN(C(=O)CCc3cnn(C)c3C)CC2)cc(C)c1Cl 2037912524 NMOIRLVCKMHVAT-QHCPKHFHSA-N 433.980 3.754 0 40 IHAB COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccccc2Br)N1C(C)=O 2095885 DVECIDKWIISVPT-QUCCMNQESA-N 427.298 3.966 0 40 IHAB biogenic COc1ccc(C2=NO[C@@H](C(=O)c3ccccc3)[C@]23C(=O)Nc2ccccc23)cc1OC 2114947 PCGRSFBRAKJUFB-UKILVPOCSA-N 428.444 3.580 0 40 IHAB biogenic O=C(CSc1nnc(COc2ccccc2F)n1-c1ccccc1)NCc1ccco1 2624090 JARWQZQUDJQSIP-UHFFFAOYSA-N 438.484 3.987 0 40 IHAB Cc1nc2sc3c(c2c(=O)n1NC(=O)c1cc(C(F)(F)F)n(C)n1)CCCCCC3 2780477 BJFWQNOCBIOMJV-UHFFFAOYSA-N 439.463 3.562 0 40 IHAB CC(C)OCCCn1c(SCC(=O)N2CCc3ccccc32)nc2ccccc2c1=O 3371598 GCIATVOSFHBLHE-UHFFFAOYSA-N 437.565 3.893 0 40 IHAB COc1cc(OC)c(/C=C2\NC(=S)N(C3CCCCC3)C2=O)cc1Br 3667789 YURZDTINXIYEAB-ZROIWOOFSA-N 425.348 3.857 0 40 IHAB CC(C)(C)NC(=O)[C@H](c1ccccn1)N(C(=O)c1ccc2c(c1)OCCO2)C1CCCC1 4093227 DTYMTGIMKZFPIK-QFIPXVFZSA-N 437.540 3.894 0 40 IHAB CCN(CC)[C@H](CNS(=O)(=O)c1ccc(OC)c(OC)c1)c1ccccc1Cl 8748348 DTXNGJQSYPZXAY-GOSISDBHSA-N 426.966 3.719 0 40 IHAB CC(=O)Nc1cccc(NC(=O)CSc2nc(CC(=O)N3CCC(C)CC3)cs2)c1 8849927 CWYOOSMQROHOID-UHFFFAOYSA-N 446.598 3.633 0 40 IHAB COc1ccc([C@H](CNC(=O)CCS(=O)(=O)c2ccc(C)cc2)N2CCCCC2)cc1 9257730 PZUQPRXEQNYULR-QHCPKHFHSA-N 444.597 3.511 0 40 IHAB O=C(NCCc1ccc(C(F)(F)F)cc1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 9337510 QFJLGNHAQLQXFG-LJQANCHMSA-N 440.487 3.608 0 40 IHAB Cc1ccc2c(CC(=O)Nc3ccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)coc2c1 9430918 ZGJQBUAMCKSIKS-IAGOWNOFSA-N 442.537 3.720 0 40 IHAB O=C(CSc1ccccc1C(=O)NCCc1ccccn1)Nc1ccc2c(c1)OCO2 9441022 ZIBACGTZTNBXNC-UHFFFAOYSA-N 435.505 3.514 0 40 IHAB COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 9503123 LJCXRQVDZXYTJG-HXUWFJFHSA-N 443.503 3.935 0 40 IHAB CCOC(=O)c1ccc2c(c1)s/c(=N/C(=O)c1cc(OC)c(OC)c(OC)c1)n2CC 9511749 WXTMCSMPCMCKIZ-GHVJWSGMSA-N 444.509 3.666 0 40 IHAB COc1ccc(N2CCn3c(SCC(=O)Nc4cc(Cl)ccc4OC)nnc32)cc1 9574053 HMYPWAFQUYIVHH-UHFFFAOYSA-N 445.932 3.831 0 40 IHAB CCS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 9707757 CBXYIPRTKSDELQ-UHFFFAOYSA-N 432.523 3.873 0 40 IHAB CCOC(=O)c1c(NC(C)=O)sc2c(OC[C@@H](C)CO)c(Br)ccc12 9942983 SQNXCHYLCMAWQS-VIFPVBQESA-N 430.320 3.806 0 40 IHAB COc1ccc(N(CCCC(=O)N2c3ccccc3C[C@@H]2C)S(C)(=O)=O)cc1Cl 10449929 FMXVMIKZFIWSBB-HNNXBMFYSA-N 436.961 3.873 0 40 IHAB CCN(CC)c1ccc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2N)cc1 11312665 UBNDWAFHRLOKSS-UHFFFAOYSA-N 430.965 3.889 0 40 IHAB O=C(COc1ccc(F)cc1)Nc1ccc2c(c1)CN(S(=O)(=O)c1ccccc1)CC2 11613152 LQDZPTQOADXWPN-UHFFFAOYSA-N 440.496 3.590 0 40 IHAB Cc1nc2cc([C@@H]3CCCN(C(=O)c4nsc(Cl)c4Cl)C3)nn2c(O)c1C 12134268 CXEGVZRYNNXKFL-SNVBAGLBSA-N 426.329 3.835 0 40 IHAB Cc1cc(C)c(NC(=O)CN(C)CC(=O)Nc2cc(C)nn2-c2ccccc2C)c(C)c1 12799866 UZKPNBJXPQZWCE-UHFFFAOYSA-N 433.556 3.923 0 40 IHAB C[C@H](CCc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 12923568 BXYFYIIUBOCUQM-MRXNPFEDSA-N 436.524 3.503 0 40 IHAB COc1ccc(CN(C)C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(OC)c1 12926947 NVSMPQDYMCRZDZ-UHFFFAOYSA-N 437.462 3.993 0 40 IHAB Cc1ccc(NC(=O)CN(C)C(=O)CNC(=O)c2sc3ccccc3c2Cl)cc1 12998528 TYDQWNNCMYOMKU-UHFFFAOYSA-N 429.929 3.690 0 40 IHAB CC(=O)c1cc2c(cc1NC(=O)CN1CCC[C@@H]1c1ccc3c(c1)OCCCO3)OCO2 12998908 ZNFTUUPFBNVYLM-LJQANCHMSA-N 438.480 3.555 0 40 IHAB Cc1cc(C)n(-c2ccc(Nc3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3)nn2)n1 13010140 SEXHKGXQPDDNAV-UHFFFAOYSA-N 438.488 3.963 0 40 IHAB O=C(COC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)Nc1ccc2[nH]c(=O)[nH]c2c1 13097324 YFYSYUZLUWVESR-UHFFFAOYSA-N 445.353 3.931 0 40 IHAB COCC(=O)Nc1nc2n(n1)[C@H](c1ccccc1Cl)C[C@@H](c1ccc(OC)cc1)N2 13127411 DPVMPIVJZJFLDH-ROUUACIJSA-N 427.892 3.671 0 40 IHAB COc1ccc(Cn2nnnc2[C@@H](C(C)C)N2CCN(c3cc(C)ccc3C)CC2)cc1 13504892 GSDZSGIGSSKZPE-XMMPIXPASA-N 434.588 3.866 0 40 IHAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(Cl)c2)C1 13580655 LVJSSFKPMMPPFP-ZDUSSCGKSA-N 426.897 3.527 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccc(OC(F)(F)F)cc3)no2)cc1 13655534 YLAMBAUALBUGQE-UHFFFAOYSA-N 427.404 3.764 0 40 IHAB O=C(NCc1ccccc1)[C@@H](c1ccccn1)N(C(=O)c1csnn1)c1ccc(F)cc1 15936173 YVDXTSAURBFBPN-OAQYLSRUSA-N 447.495 3.777 0 40 IHAB O=C(CS(=O)(=O)c1ccc(F)cc1)Nc1nc2ccc(Br)cc2s1 16048008 FXGJCTIPRMPUBY-UHFFFAOYSA-N 429.292 3.610 0 40 IHAB COc1ccc2cc([C@@]3(C)NC(=O)N(CC(=O)Nc4cccc(Cl)c4)C3=O)ccc2c1 16050451 HOEOKAGETCJSPH-HSZRJFAPSA-N 437.883 3.908 0 40 IHAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 18104831 HUNUYQGNHKCQSP-UHFFFAOYSA-N 447.944 3.504 0 40 IHAB O=C([C@H]1CCCO1)N1CC[C@H](c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)C1 19344198 NSFYTVNBSDWQFC-SWLSCSKDSA-N 436.459 3.972 0 40 IHAB CCNC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CCCN(C(=O)c2cccnc2)C1 19528669 FXCDQOOPVMNCGG-SANMLTNESA-N 428.536 3.745 0 40 IHAB Cc1ccccc1CN1CCC(N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)CC1 19699438 NPBFNWTWVWBLDF-UHFFFAOYSA-N 446.595 3.546 0 40 IHAB COCCNC(=O)c1sc2ncccc2c1[C@H]1CCN(C(=O)CC2CCCCC2)C1 19702368 QGIBYBSCNVZPJJ-KRWDZBQOSA-N 429.586 3.959 0 40 IHAB CCC(=O)Nc1cc(S(=O)(=O)N[C@@H](C)c2cccc(Br)c2)ccc1OC 20025246 KMJAGUDZNIBXTP-LBPRGKRZSA-N 441.347 3.846 0 40 IHAB CCN(Cc1ccc(OC)c(F)c1)C(=O)COC(=O)c1c(NC(C)=O)sc(C)c1C 21245549 HEUHBJDDBLAQCW-UHFFFAOYSA-N 436.505 3.677 0 40 IHAB CCCn1c(SCc2nnc3n(C)c(=O)c4ccccc4n23)nnc1-c1cccc(C)c1 22042940 ARVIJADHFNIVPU-UHFFFAOYSA-N 445.552 3.850 0 40 IHAB C[C@H](Sc1nc(CN2CCOCC2)nc2ccccc12)C(=O)Nc1ccc(F)cc1F 22188541 XVEUTPDBARXEFW-AWEZNQCLSA-N 444.507 3.860 0 40 IHAB COC(=O)c1ccc(NC(=O)CSc2nnc(C)c3cnn(-c4ccccc4)c23)cc1 23137531 CXWGLTJIHFAAFH-UHFFFAOYSA-N 433.493 3.641 0 40 IHAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CSc2nc(C)cc(N)n2)cc1 23290574 BFXMVCMDRBQELL-HXUWFJFHSA-N 433.537 3.846 0 40 IHAB C[C@H](c1nc(-c2ccccc2)no1)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 24820645 ROEPJLJMJDPUCI-MRXNPFEDSA-N 426.904 3.674 0 40 IHAB O=C(CN1C(=O)NC2(CCC(c3ccccc3)CC2)C1=O)NCCCCc1ccccc1 26779484 ZICYDSWLCWEKLL-UHFFFAOYSA-N 433.552 3.774 0 40 IHAB CCOC(=O)c1c(NC(=O)CSc2noc(-c3cccnc3)n2)sc2c1CCCC2 28527058 UJIUVJADPYVOOV-UHFFFAOYSA-N 444.538 3.979 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2ccc(CN3CCCCC3)cc2)s1 32882442 MMSBZFFDZBFJLU-UHFFFAOYSA-N 449.642 3.695 0 40 IHAB COc1cc(-c2noc(Cn3nc(-c4ccc(C)c(C)c4)ccc3=O)n2)cc(OC)c1OC 38652060 OOWJGHNCWMAUAR-UHFFFAOYSA-N 448.479 3.651 0 40 IHAB COc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(N3C[C@H](C)O[C@H](C)C3)o2)cc1 39845881 DCVPECIBDRFZAG-IYBDPMFKSA-N 428.510 3.797 0 40 IHAB CN(C)[C@@H](CNC(=O)Nc1cc2c(cc1Br)OCCO2)c1cccs1 40103730 BIPXLNYQWCMDTG-ZDUSSCGKSA-N 426.336 3.706 0 40 IHAB COCC(=O)Nc1ccc(NC(=O)Cc2c(C)nn(-c3ccc(F)cc3F)c2C)cc1 40132810 JPKGNBNHUYRTOL-UHFFFAOYSA-N 428.439 3.533 0 40 IHAB COc1ccccc1CCn1ccc2c(nnc3c(-c4ccc(F)cc4)c(C)nn32)c1=O 40391901 BCOSMRPJGHSMLG-UHFFFAOYSA-N 429.455 3.805 0 40 IHAB CC(C)(C)c1ccc(C(=O)NC2CCN(C(=O)c3cn(-c4ccc(F)cc4)nn3)CC2)cc1 49406082 VCYMONOXAASAEO-UHFFFAOYSA-N 449.530 3.739 0 40 IHAB CCCCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nc2ccsc2c1=O 57478660 FHOGNUSHGSOYSD-UHFFFAOYSA-N 431.539 3.760 0 40 IHAB CCOCc1c(C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)oc2ccccc12 58175405 SYPFUFLWDXGZFA-UHFFFAOYSA-N 439.487 3.505 0 40 IHAB Cc1cc(C(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)c2cnn(C3CCCC3)c2n1 71287356 DXAGONWMDBUPNS-UHFFFAOYSA-N 427.549 3.984 0 40 IHAB C[S@@](=O)C[C@@H](NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)c1ccccc1 72298104 UAFNMVMWUGAGGB-MNNSJKJDSA-N 441.574 3.510 0 40 IHAB O=C(c1cnn(-c2ccccc2)n1)N1CC(c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 77190941 NLVVHSLUTVXYRP-UHFFFAOYSA-N 440.385 3.576 0 40 IHAB CCOC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1cc2cccc3c2n(c1=O)CCC3 79192999 SNIIEFSKLMHYCI-AUSIDOKSSA-N 443.455 3.510 0 40 IHAB biogenic CCOc1cc(CNC[C@H]2COC3(CCCCC3)O2)ccc1OCC(=O)N1CCCCC1 95463776 WZCTZZHUJXXMMY-NRFANRHFSA-N 446.588 3.642 0 40 IHAB CC(C)C(=O)N1CCc2nc3cc([C@@H]4CCCCN4C4CCCCC4)nn3c(O)c2C1 100243167 HBKMSTSPHMNOFG-NRFANRHFSA-N 425.577 3.835 0 40 IHAB COC(=O)c1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 101014894 ILJJGQCDYHLQGO-VABKMULXSA-N 442.471 3.833 0 40 IHAB CCc1ccc(OCc2nnc(SCC(=O)Nc3ccccc3C(=O)OC)o2)cc1 107567828 PDQJMSCORQNEAO-UHFFFAOYSA-N 427.482 3.728 0 40 IHAB COC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(Br)cc1 113894792 UAYHJVASYWENEE-UHFFFAOYSA-N 426.332 3.941 0 40 IHAB CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@]5(CC[C@]4(C)[C@H]3C(=O)C[C@]12C)N[C@H](C(=O)O)CS5 118936372 PCUNKKKWXLSSHX-KXARPIMPSA-N 433.614 3.899 0 40 IHAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 216372876 YNEOTDGQPNELEG-JOCHJYFZSA-N 438.549 3.837 0 40 IHAB CCOC[C@@]1(CN)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Br)cc1 218229386 BQPFAFUNMDBNGR-SLFFLAALSA-N 438.387 3.679 0 40 IHAB CC[C@H](C(=O)N[C@H](C)COc1ccccc1C)N(c1cccc(Cl)c1)S(C)(=O)=O 219094127 QSAQJVOVDAXIBH-VQIMIIECSA-N 438.977 3.777 0 40 IHAB CCN1c2cc(OC)c(OC)cc2C(C)=C(C(=O)N[C@H](C)c2ccc(F)cc2)S1(=O)=O 219196814 NWGGSRJSMPPHJN-CQSZACIVSA-N 448.516 3.621 0 40 IHAB Cc1ccc2c(c1)[C@H](NC(=O)[C@H](C)N(c1cccc(F)c1)S(C)(=O)=O)CC(C)(C)O2 220488937 XPDVKCBBNIHNND-HNAYVOBHSA-N 434.533 3.707 0 40 IHAB CC[C@H](C(=O)N[C@H]1CC(C)(C)Oc2ccccc21)N(c1ccccc1F)S(C)(=O)=O 220604465 DMECSJLYUVWXDD-ZWKOTPCHSA-N 434.533 3.789 0 40 IHAB CCOc1ccc(CCCNC(=O)[C@@H](CC)N(c2ccccc2F)S(C)(=O)=O)cc1 220605227 WEINUOGRIXAKIT-HXUWFJFHSA-N 436.549 3.518 0 40 IHAB COc1ccc(NC(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)cc1OC 222528571 VCGCFMKWNVUQJP-UHFFFAOYSA-N 426.494 3.781 0 40 IHAB CC[C@@H](C(=O)N[C@H](C)CC)N(CCc1ccccc1)C(=O)COc1ccc(OC)cc1 222562075 RBTWXPCIKQPRQI-XXBNENTESA-N 426.557 3.839 0 40 IHAB C[C@@H]1Cc2ccccc2N1C(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1 222651028 DHBUIXFHBBOSCI-GOSISDBHSA-N 436.533 3.522 0 40 IHAB COc1ccc(CN(C)C(=O)CCCN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1 222662791 GRMJSXRYZWMTJS-UHFFFAOYSA-N 438.977 3.862 0 40 IHAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(-c3ccccc3)o2)N1CCN1CCOCC1 223156496 ZSOCFEBTDRZOAC-XZOQPEGZSA-N 434.565 3.646 0 40 IHAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)OC(C)C)ccc2NC[C@@H]2CCCO2)cc1 223422265 QQLUQNCEOURFTQ-IBGZPJMESA-N 432.542 3.952 0 40 IHAB CCOc1ccc(-c2noc(CNS(=O)(=O)Cc3c(F)cccc3Cl)n2)cc1 223632283 TUFGXAYPTMGVOZ-UHFFFAOYSA-N 425.869 3.547 0 40 IHAB O=S(=O)(Cc1ccc(F)cc1)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 224549915 YQLQXQVGWUSPKC-UHFFFAOYSA-N 438.477 3.708 0 40 IHAB C[C@@H]1CCCN(c2cc(Sc3ncccn3)nc(NC(=S)NCc3ccco3)n2)C1 225912475 CSVUINHZNGFJHL-CQSZACIVSA-N 441.586 3.734 0 40 IHAB C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@]4(O)[C@@H](C[C@H]5[C@H]4C[C@@H](O)[C@H]4C[C@@H](O)CC[C@]45C)[C@@H]3CN2C1 252694632 NQGYOUYEGZOZBN-ODGHNUJJSA-N 431.661 3.678 0 40 IHAB biogenic CCN(CC)S(=O)(=O)N1CCO[C@H](c2cc(Cc3cccc(Cl)c3)cc(C)n2)C1 257208893 BNYRLOLNGWFPLD-NRFANRHFSA-N 437.993 3.594 0 40 IHAB CCN1CCC(CC(=O)N2CCO[C@@H](c3cc(Nc4cccc(C)n4)cc(C)n3)C2)CC1 257233184 GOESMZPBBOPXGB-HSZRJFAPSA-N 437.588 3.859 0 40 IHAB COc1ccc2c(c1)C=C(CN1CCO[C@@H](c3cccc(Nc4cc(C)n(C)n4)n3)C1)CO2 257260040 LBCOPIRWZVQFKD-HSZRJFAPSA-N 447.539 3.725 0 40 IHAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)N[C@H](C)C(C)C)Oc3ccc(Cl)cc32)cc1 260905598 QZVHISWQDXBNTF-FOIQADDNSA-N 436.961 3.765 0 40 IHAB O=C(c1ccccc1I)N1CC[C@H](N2CCc3ccccc3C2)C1 408612496 WGDYILQTKLMRPV-KRWDZBQOSA-N 432.305 3.564 0 40 IHAB Cc1ccc(N2C(=O)[C@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)C2=O)cc1C 409273964 AVRHXWNKWJMCNU-FGZHOGPDSA-N 443.455 3.628 0 40 IHAB Cc1cc(Cl)ccc1N(CC(=O)NCCCOC(C)C)S(=O)(=O)c1ccccc1 409318614 XIUCVJWVPLYGOT-UHFFFAOYSA-N 438.977 3.775 0 40 IHAB O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl)NCc1ccccc1 409341117 CSXOYXRPAHIXSI-UHFFFAOYSA-N 436.961 3.646 0 40 IHAB OC1(COc2ccc(F)cc2)CCN(Cc2cccc(OCCn3ccnc3)c2)CC1 585271792 JSZHHWDFXCOJMB-UHFFFAOYSA-N 425.504 3.507 0 40 IHAB O[C@]1(COc2ccccc2F)CCCN(Cc2cccc(OCCn3ccnc3)c2)CC1 585272827 OWIWONQJOZOAKE-RUZDIDTESA-N 439.531 3.897 0 40 IHAB Cc1cc(OCC2(O)CCN(CC(=O)NCc3cccc(F)c3)CC2)cc(C)c1Cl 585274321 VSKPDZNBROKEKG-UHFFFAOYSA-N 434.939 3.618 0 40 IHAB O=C(CC1(N2Cc3ccccc3C2=O)CCN(Cc2ccccc2)CC1)Nc1nncs1 1548348247 IXNXTPLOMJTWHK-UHFFFAOYSA-N 447.564 3.558 0 40 IHAB COc1ccc(C)cc1NC(=O)CSc1nnc(-c2cnccn2)n1-c1ccccc1 2201106 SMCAUJMFINIVFG-UHFFFAOYSA-N 432.509 3.772 0 40 IHAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 3571430 RUKSWQUPCKKLIV-UHFFFAOYSA-N 440.521 3.691 0 40 IHAB CCOC(=O)c1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccco4)[C@H]3C2=O)cc1 6577007 RMZWPBIXXJEQBB-HKBOAZHASA-N 432.432 3.507 0 40 IHAB CN(c1cccc(NC(=O)C2CCN(Cc3ccccc3Cl)CC2)c1)S(C)(=O)=O 9063231 DDFOPOZEPCASMT-UHFFFAOYSA-N 435.977 3.587 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1C(C)C 9356450 XSOSZFQVBOLZNB-MRXNPFEDSA-N 432.542 3.528 0 40 IHAB CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1 9461595 QVAIWXFDCBGFOS-OAQYLSRUSA-N 437.521 3.861 0 40 IHAB CN(C)C(=O)c1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)cc1 9468101 HDWOQQCNXOFTKL-UHFFFAOYSA-N 447.520 3.876 0 40 IHAB COc1ccc(C)cc1-n1nnnc1SCC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 9496409 ZUOCAPRNRJSYGQ-INIZCTEOSA-N 437.569 3.828 0 40 IHAB COc1cc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c(=O)c2cc1OC 9513775 FOWGJENEELHTIX-UHFFFAOYSA-N 449.536 3.750 0 40 IHAB COc1ccc(N2C[C@H](NC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2=O)cc1OC 9568839 WDVGDMDKGKHXNR-CYBMUJFWSA-N 439.390 3.529 0 40 IHAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)cc1 9668465 QJMYTGKBUNIGIT-UHFFFAOYSA-N 437.521 3.684 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCCCN3CCCCC3)ccc2C)cc1 10112048 XYIQUMCEQIBUMQ-UHFFFAOYSA-N 429.586 3.710 0 40 IHAB Cc1ccccc1-c1nnc(SCC(=O)N[C@@H](c2ccccc2)c2nccn2C)n1C 10188712 GVTHNPXKRZFTQU-FQEVSTJZSA-N 432.553 3.522 0 40 IHAB O=C(COc1ccccc1)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1cccs1 10220777 ZRNWHLWCSXXUSR-UHFFFAOYSA-N 428.535 3.907 0 40 IHAB CCCCOc1ccc(C(=O)Nn2cnc3c(cnn3-c3cccc(Cl)c3)c2=O)cc1 10251740 BNXLVDPNFQJERV-UHFFFAOYSA-N 437.887 3.798 0 40 IHAB COc1cn(CC(=O)Nc2cc(C)cc(C)c2)c(CSc2nnc(C)s2)cc1=O 10254738 PNQVYKUMXILUBH-UHFFFAOYSA-N 430.555 3.565 0 40 IHAB Cc1ccc(C)c(N([C@H](C)C(=O)NCCSCc2ccccc2F)S(C)(=O)=O)c1 10281909 UBAGMFWQVGCAMC-QGZVFWFLSA-N 438.590 3.647 0 40 IHAB CCOC(=O)c1c(-c2ccco2)csc1NC(=O)Cn1ncc(Cl)c(Cl)c1=O 10284821 MRVSHZLKHAOFRR-UHFFFAOYSA-N 442.280 3.687 0 40 IHAB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)c1 10445201 LUBYHDKKFKQJKH-CQSZACIVSA-N 438.933 3.618 0 40 IHAB COc1ccc2c(c1)CCCN2C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 10542224 NKWCZOAOLLQLPN-QZTJIDSGSA-N 442.581 3.955 0 40 IHAB COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccccc3Cl)n2)cc1OC 11693357 YVBRSEWMOIALMM-UHFFFAOYSA-N 427.888 4.000 0 40 IHAB CC(C)(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCCCN3C(=O)Cn3ccnc3)cc2n1 12087915 GLRPCEJXDXHXIT-HNNXBMFYSA-N 434.466 3.996 0 40 IHAB CCOc1ncc([C@]2(O)CCC[C@H]3CN(Cc4cc(F)cc(F)c4)C[C@@H]32)c(OCC)n1 12233429 HEGQRLOIFZGHRL-ITSWEJNFSA-N 433.499 3.672 0 40 IHAB O=c1[nH]c(CNc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)nc2ccsc12 12507934 VLVGHTNCBFFROD-UHFFFAOYSA-N 430.486 3.537 0 40 IHAB O=C(Nc1ccc(N2CCCCCC2)cc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 12587531 WFXZRVQYYSYJFS-QFIPXVFZSA-N 445.560 3.998 0 40 IHAB O=C(Nc1ccc(SCc2cccnc2)cc1)c1cccc(CN2C(=O)CNC2=O)c1 12638859 YHCXHVRHDZBFRC-UHFFFAOYSA-N 432.505 3.678 0 40 IHAB Cc1cccc(N2C[C@@H](C(=O)Nc3ccccc3I)CC2=O)c1C 12764877 CDFQMSIVCPMIAG-AWEZNQCLSA-N 434.277 3.900 0 40 IHAB CCOC(=O)c1cc(NC(=O)CN(C)Cc2ccccc2Cl)cc(C(=O)OCC)c1 13073165 YZSMBMRZGTZNER-UHFFFAOYSA-N 432.904 3.764 0 40 IHAB O=c1c2ccccc2nc(SCc2nnnn2-c2ccccc2)n1-c1ccc(F)cc1 13147979 ZWYFUQDMEAAWDO-UHFFFAOYSA-N 430.468 3.793 0 40 IHAB COc1ccccc1/N=c1\scc(-c2ccc3c(c2)NC(=O)CO3)n1C[C@H]1CCCO1 13152704 XTOAWMVAZOOIGP-IEQXMEILSA-N 437.521 3.968 0 40 IHAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cc2C)C1 13580679 WUNWUKSDKLQZAY-AWEZNQCLSA-N 440.924 3.836 0 40 IHAB CCS(=O)(=O)N(Cc1ccccc1)Cc1nc(-c2ccc(Br)cc2)no1 13608070 NLVRGSIYRPZVOX-UHFFFAOYSA-N 436.331 3.851 0 40 IHAB CCCC[n+]1ccn(-c2nc3ccccc3nc2NS(=O)(=O)c2ccc(Cl)cc2)c1 13685506 ZBUCQXHVWYTAIE-UHFFFAOYSA-N 442.952 3.962 0 40 IHAB CN(C)c1ccc(C[C@H]2[C@@H](O)c3ccccc3S(=O)(=O)N2CCc2ccccc2)cc1 13691841 SCLJADJNGOUNQD-ZCYQVOJMSA-N 436.577 3.644 0 40 IHAB COc1ccc2c(c1)cc(C(=O)NCCCC(=O)Nc1ccc(OC)c(Cl)c1)n2C 13692288 QUHGUNUOJGNHKU-UHFFFAOYSA-N 429.904 3.998 0 40 IHAB COc1ccc(CCC(=O)NC[C@H](c2ccco2)S(=O)(=O)c2ccc(OC)cc2)cc1 15781118 FBVCYLQBURKELT-JOCHJYFZSA-N 443.521 3.561 0 40 IHAB CC1=NN(C(=O)c2ccn(COc3cccc(Cl)c3Cl)n2)[C@](O)(C(F)(F)F)C1 17101049 OMTONJUTHRXOOE-OAHLLOKOSA-N 437.205 3.699 0 40 IHAB NC(=O)c1ccsc1NC(=O)COC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 19164976 OYBVVGHBNKKKGQ-UHFFFAOYSA-N 447.472 3.965 0 40 IHAB O=C(C1CCCC1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CN(Cc1cccs1)CC2 19343564 USBMAXDGRCVXMD-FQEVSTJZSA-N 426.586 3.634 0 40 IHAB CC(C)NC(=O)[C@]1(Cc2ccccc2-c2ccccc2F)CCN(C(=O)[C@H]2CCCO2)C1 19449205 AHQPWBBHKOUKBH-BVAGGSTKSA-N 438.543 3.958 0 40 IHAB CCc1ncc(CN2CCC[C@@](Cc3ccccc3-c3cccnc3)(C(=O)NC)C2)cn1 19523373 ASBXTLYNTKVWIP-SANMLTNESA-N 429.568 3.672 0 40 IHAB NC(=O)C1(Cc2ccc(-c3ccncc3)cc2)CCN(C(=O)Cc2ccccc2F)CC1 19700148 QMSMVYWZWOZEQZ-UHFFFAOYSA-N 431.511 3.767 0 40 IHAB Cc1nc([C@@H]2CCCN(C(=O)c3cnccn3)C2)nc2c1CCCN2CCc1ccccc1 19706544 XKFQPFAXIWXQAF-OAQYLSRUSA-N 442.567 3.590 0 40 IHAB COc1cccc2cc(CN3CC[C@H](c4cc(C(=O)NCCO)c5ccccc5n4)C3)oc12 19761073 VVSNXPRXQPFYCR-SFHVURJKSA-N 445.519 3.701 0 40 IHAB C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1 21847566 GOTUYZQKTHVJJQ-AWEZNQCLSA-N 436.339 3.867 0 40 IHAB CSCC[C@H](NC(=O)COc1ccccc1)C(=O)N(C)Cc1c(F)cccc1Cl 22441253 VBHHVIGIUACXTO-IBGZPJMESA-N 438.952 3.754 0 40 IHAB CCN(CC)S(=O)(=O)c1c(C)nn(CC(=O)N[C@@H](C)c2ccc3ccccc3c2)c1C 24977932 NWKHEJQYBZEKFK-INIZCTEOSA-N 442.585 3.561 0 40 IHAB NC(=O)CCn1c(SCc2coc(-c3cccc(F)c3)n2)nnc1-c1cccs1 26122409 JNQASWPXQZAOIF-UHFFFAOYSA-N 429.502 3.968 0 40 IHAB O=C(COC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1ccc2c(c1)OCCO2 33771198 XHAABHDMKVOMAK-UHFFFAOYSA-N 441.443 3.745 0 40 IHAB Cc1cc2nc(COc3ccc(NC(=O)COc4cccc(C)c4C)cc3)cc(=O)n2o1 35378601 BEQXGYYSWXABDC-UHFFFAOYSA-N 433.464 3.809 0 40 IHAB CC(C)CNC(=O)c1ccc(OCc2cc3cc(S(=O)(=O)N(C)C)ccc3o2)cc1 36359614 WQQHECNSOYZECG-UHFFFAOYSA-N 430.526 3.648 0 40 IHAB CSc1ncccc1C(=O)N1CCC(CNC(=O)c2cc(-c3ccccc3)on2)CC1 44001535 IRLPWGCTDJNSOP-UHFFFAOYSA-N 436.537 3.741 0 40 IHAB CCOC(=O)c1c(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)sc2c1CCCC2 44842072 XWAIZEWIRJCSAP-UHFFFAOYSA-N 448.566 3.731 0 40 IHAB Cc1ccc(-c2noc(-c3cccn(CC(=O)NCc4ccc(Cl)cc4)c3=O)n2)cc1 57511252 BMTSFRLKLKDSBM-UHFFFAOYSA-N 434.883 3.844 0 40 IHAB O=C(NCc1nc(Cc2ccccc2)no1)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 57991268 XOPNZWLFIIDLKM-UHFFFAOYSA-N 435.434 3.543 0 40 IHAB CCc1c(C(=O)N[C@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)[nH]c(C)c1C(C)=O 59358675 NYTDLJFXVMRKPM-CQSZACIVSA-N 433.574 3.610 0 40 IHAB CS(=O)(=O)N(CC(=O)Nc1ccc(Br)cc1F)c1cccc(Cl)c1 60879129 RLCPJMNCPSSISZ-UHFFFAOYSA-N 435.702 3.646 0 40 IHAB COc1ccc([C@@H](C)NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2CC(C)C)cc1 67237906 PXTKYNAADWVAGF-OAHLLOKOSA-N 428.558 3.667 0 40 IHAB Cc1ccc(Sc2nccn3c(=O)n(CC(=O)N[C@H](C)c4ccccc4)nc23)c(C)c1 67319618 XZRNVGVRQMKGKP-QGZVFWFLSA-N 433.537 3.536 0 40 IHAB COc1ccc(Cl)cc1NC(=O)Cn1nnc(C(=O)Nc2ccc(C)cc2C)c1C 67322126 IHLAGZOYVHJOOR-UHFFFAOYSA-N 427.892 3.756 0 40 IHAB Cn1cnc(S(=O)(=O)N2CCC(c3cccc(Cc4ccccc4Cl)n3)CC2)c1 72350352 ZJVGCSFCFMRVHZ-UHFFFAOYSA-N 430.961 3.628 0 40 IHAB Cc1cccnc1Nc1ccc([C@H]2CCCN(C(=O)c3noc(C)c3CN(C)C)C2)nc1 72353481 RQSMQQGKAVWYRH-SFHVURJKSA-N 434.544 3.906 0 40 IHAB CC(C)(C)OC(=O)NC(C)(C)C(=O)N1CCC(c2cc(Nc3ccccn3)[nH]n2)CC1 72360778 YCAQHSLLHQPPDQ-UHFFFAOYSA-N 428.537 3.558 0 40 IHAB COc1ccc(Cl)cc1NC(=O)N1CCc2nc(NC(=O)[C@H]3CCCO3)sc2C1 77192058 CBUUKGDPEAPCFL-OAHLLOKOSA-N 436.921 3.513 0 40 IHAB COC(=O)c1nc(NC(=O)c2cc(-c3ccc(OC)c(OC)c3)n[nH]2)sc1C(C)C 95475011 HNBGWQFOSJUFPL-UHFFFAOYSA-N 430.486 3.713 0 40 IHAB COc1ccc([C@H]2[C@H](C(=O)NCC(=O)c3ccccc3)c3ccccc3C(=O)N2C)cc1 95478410 OYZDWPYZUCVBHO-RPWUZVMVSA-N 428.488 3.605 0 40 IHAB O=c1cc(C2CCCC2)ncn1CCNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 96119184 WGALYBOOAQQBKE-UHFFFAOYSA-N 449.882 3.552 0 40 IHAB CCC(CC)NC(=O)c1ccc2c(c1)[C@@H](c1ncn(C(C)C)n1)CN2C(=O)c1ccccn1 96267765 FQPBKXZAPSJPIE-FQEVSTJZSA-N 446.555 3.965 0 40 IHAB O=C(NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)c1n[nH]c2ccccc12 96869957 NZBXLPRPBRBJSK-LFIBNONCSA-N 426.885 3.683 0 40 IHAB O=C(CSC(=S)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2)Nc1ccccc1Cl 113481732 OAGONESMOARMDR-ZIAGYGMSSA-N 433.986 3.578 0 40 IHAB Cc1ccc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)c(C)c1 113947913 DLRYQFWSNHGVQR-GOSISDBHSA-N 432.561 3.862 0 40 IHAB CC[C@H](C(=O)N[C@H]1CC(C)(C)Oc2ccccc21)N(c1cccc(OC)c1)S(C)(=O)=O 220629645 RSUDWXSYDFXNNH-VQTJNVASSA-N 446.569 3.658 0 40 IHAB CC(C)OCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1 222930154 JKPOQIGFORPPNV-IBGZPJMESA-N 430.520 3.553 0 40 IHAB CCOc1cccc(CNC(=O)c2cccc(NS(=O)(=O)c3ccc(OC)cc3)c2)c1 224042879 BIGPDVNEVUNBFW-UHFFFAOYSA-N 440.521 3.825 0 40 IHAB CCCC[C@@H](CC)CNC(=O)CCCN(c1cc(OC)ccc1OC)S(C)(=O)=O 224718340 YGSUROPEBCSDSM-QGZVFWFLSA-N 428.595 3.583 0 40 IHAB COc1ccc(C(=O)NCc2ccccc2)cc1CN(C)S(=O)(=O)c1ccc(C)cc1 224777078 SFGQWAGGFGCUGF-UHFFFAOYSA-N 438.549 3.754 0 40 IHAB O=C(O)CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 224825969 LIBQYVGTIITRDR-UHFFFAOYSA-N 441.461 3.530 0 40 IHAB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(-c3csc(C)n3)c2)cc1 226085831 USIZCDYVNDMOAZ-UHFFFAOYSA-N 445.566 3.824 0 40 IHAB Cc1nc(Nc2ncc(C)s2)cc([C@@H]2CCN(C(=O)c3cc(C(F)(F)F)[nH]n3)C2)n1 257256606 KMEZUVHFKZRILM-LLVKDONJSA-N 437.451 3.665 0 40 IHAB Cc1ccc(N2C[C@H](C(=O)Oc3cccc(N4C(=O)c5ccccc5C4=O)c3)CC2=O)cc1 408639386 FYQNVSVGFGTPFM-QGZVFWFLSA-N 440.455 3.754 0 40 IHAB CC(=O)Nc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2Cl)c1 408702280 MNNVVVUGOJDRCR-UHFFFAOYSA-N 449.960 3.971 0 40 IHAB COc1ccc(OC)c(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)c1 409363326 VZYKAZLARGGYSV-YBFXNURJSA-N 426.494 3.996 0 40 IHAB O=C(NCc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 409392330 RIDMZHBCTAFJQE-OAHLLOKOSA-N 427.353 3.711 0 40 IHAB O=C(CCCCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)Nc1ncc[nH]1 524729250 LIVQUTCQFPIRRS-NRFANRHFSA-N 429.480 3.724 0 40 IHAB biogenic COc1ccc(N(CCCC(=O)O)S(=O)(=O)c2cccc(Br)c2F)cc1 541910667 IVPMSKRCXOITNO-UHFFFAOYSA-N 446.294 3.657 0 40 IHAB O=C(Cc1cccc(F)c1)N[C@@H]1CC2(CCN(c3ncccn3)CC2)Oc2ccccc21 585105950 UDJKBRMLQBDJIS-OAQYLSRUSA-N 432.499 3.837 0 40 IHAB CN1Cc2ccccc2[C@H](NC(=O)c2sc(N3CCOCC3)nc2-c2ccccc2)C1 685045218 SPEFHXZSEHFFMH-HXUWFJFHSA-N 434.565 3.563 0 40 IHAB COc1ccc(-c2ncnc(N3CCN(Cc4nc5c(s4)CCC5)CC3)c2F)cc1 1775974125 WTPZWFQSMIMXPD-UHFFFAOYSA-N 425.533 3.559 0 40 IHAB O=C(C[C@@H]1C(=O)N(c2ccccc2)C(=S)N1Cc1ccccn1)Nc1ccc(F)cc1 1442536 XRWDFUVZLQVTQJ-HXUWFJFHSA-N 434.496 3.752 0 40 IHAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 2427282 LGGOFPMWMXXCQN-GXTWGEPZSA-N 432.325 3.570 0 40 IHAB CCOC(=O)CCCNC(=O)COC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12 3385503 CVZKGBYKHLBYFR-UHFFFAOYSA-N 434.492 3.827 0 40 IHAB Cc1ccc(C)c(C(=O)COC(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)c1 3446844 JOKVSIQQLYJFLL-UHFFFAOYSA-N 444.336 3.705 0 40 IHAB CCCC[C@@H](CC)CNC(=O)CCCn1c(=O)[nH]c2ccc(Br)cc2c1=O 4791701 NEKJNZOQJHOHEA-CQSZACIVSA-N 438.366 3.565 0 40 IHAB Cc1ccc(C)c2c1cc(C)c1nnc(SCC(=O)NCc3ccc4c(c3)OCO4)n12 6244957 RIBOKAIPSCLSFC-UHFFFAOYSA-N 434.521 3.945 0 40 IHAB COc1cc2c(cc1OC)C1=NC(=O)[C@H](CC3CCCCC3)N1C(S[C@@H](C)C(=O)O)=N2 8873477 KYRYBTBAMFNFBZ-LRDDRELGSA-N 445.541 3.839 0 40 IHAB O=C(CNC1=NS(=O)(=O)c2ccccc21)Nc1cccc(-c2nc3ccccc3s2)c1 8879064 PUEAYAJCKGLVDV-UHFFFAOYSA-N 448.529 3.641 0 40 IHAB O=C1C[C@H](CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CN1c1ccc(Cl)cc1 9036799 JTBHQFFFLPXXSL-GFCCVEGCSA-N 432.851 3.690 0 40 IHAB CCCCN1C(=O)C[C@H](C(=O)OCC(=O)Nc2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1 9120229 SJIKCEDZCRHXOQ-URXFXBBRSA-N 438.524 3.875 0 40 IHAB NC(=O)c1nn(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c(=O)c2ccccc12 9466990 VVADFFMTIDJXOW-UHFFFAOYSA-N 448.866 3.580 0 40 IHAB Cc1ccc(Nc2nc(N)nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)n2)cc1 9469506 HUZBIIDDKWJTEM-UHFFFAOYSA-N 435.469 3.577 0 40 IHAB O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)Nc1ccc(N2CCCC2=O)cc1 9495492 ARHCJDOUCOUBND-UHFFFAOYSA-N 444.516 3.891 0 40 IHAB CN(C(=O)CSc1nnc2ccccn12)[C@]1(c2ccccc2Cl)CCCCC1=O 9512927 BCBILXHVJUSATL-NRFANRHFSA-N 428.945 3.972 0 40 IHAB O=C(OCc1ncc(-c2ccccc2)o1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 9630874 ZGUCCSNPJUBWQH-UHFFFAOYSA-N 426.494 3.873 0 40 IHAB Fc1cccc(-n2c(SCc3cc(-c4ccco4)on3)nnc2N2CCOCC2)c1 9780947 KQBJKGQXBLXSJB-UHFFFAOYSA-N 427.461 3.783 0 40 IHAB Cc1sc2ncn(CC(=O)N3CCC[C@H]3c3ccc4c(c3)OCCCO4)c(=O)c2c1C 9884551 NCJHUNPIVIWKPO-KRWDZBQOSA-N 439.537 3.600 0 40 IHAB CCOC(=O)c1oc2ccccc2c1NC(=O)CCCS(=O)(=O)c1ccc(OC)cc1 9913666 MDEKIUJVZNNWFD-UHFFFAOYSA-N 445.493 3.811 0 40 IHAB NS(=O)(=O)c1ccc(CCNC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)cc1 9914442 YIXMDACIBAQKAU-UHFFFAOYSA-N 447.516 3.629 0 40 IHAB O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)NCCCc1ccccc1 10110193 LUZZZWLZLNDODX-UHFFFAOYSA-N 426.513 3.770 0 40 IHAB Cc1nc2ccccc2n1CCNC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 10737425 KZDZOFRFWSSHAD-UHFFFAOYSA-N 434.521 3.576 0 40 IHAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)CC(=O)Nc1cc(Cl)ccc1Cl 11067933 YXSGMGVGJAKBSV-CYBMUJFWSA-N 449.338 3.628 0 40 IHAB CN(C)S(=O)(=O)c1ccc(Br)c(C(=O)N[C@@H](c2ccccc2)C2CC2)c1 11214953 QWZAVFCDXAZDSJ-SFHVURJKSA-N 437.359 3.581 0 40 IHAB COc1ccccc1N(C(=O)c1csnn1)[C@@H](C(=O)NC1CCCC1)c1ccccc1 12637631 AHJKPULDEHYKPM-OAQYLSRUSA-N 436.537 3.994 0 40 IHAB Cc1ccc(CN(C)C(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)c(C)c1 12860635 HUFGEGNDHQSBHN-UHFFFAOYSA-N 429.586 3.820 0 40 IHAB Cc1ccc(SCc2cccc(C(=O)N3CCN(CC(=O)NC4CC4)CC3)c2)c(C)c1 12906575 WSKDODSLNVFVEG-UHFFFAOYSA-N 437.609 3.632 0 40 IHAB C[C@@H](NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O)c1ccc(Br)cc1 12980070 XTPKEOOZHFKXIE-CYBMUJFWSA-N 445.338 3.988 0 40 IHAB CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 12999683 YZSQYGPBGRLFPC-QFIPXVFZSA-N 439.531 3.523 0 40 IHAB Cc1nn(-c2ccc(N3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)nn2)c(C)c1C 13008993 SMDPTDHKFANFAK-UHFFFAOYSA-N 444.461 3.569 0 40 IHAB CCc1cccc(NC(=O)Cn2c(=O)n(CCc3ccccc3)c(=O)c3sccc32)c1 13533531 DNVRSGQMNLCAGH-UHFFFAOYSA-N 433.533 3.669 0 40 IHAB Cc1ccc2nc3c(cc2c1)C[C@@]1(C(=O)NC(=O)N(C2CCCCC2)C1=O)[C@@H]1CCCCN31 13591217 HNRZMLRLNGETIV-LVXARBLLSA-N 446.551 3.856 0 40 IHAB O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccccc1C(=O)NCc1ccccc1 13686827 TXDBTIJLKPFUPG-UHFFFAOYSA-N 441.487 3.632 0 40 IHAB COc1cc(C(=O)N2CCC(c3nc(NC(C)C)ncc3-c3ccncc3)CC2)ccn1 19450305 WGWLYXGEGZTFTH-UHFFFAOYSA-N 432.528 3.782 0 40 IHAB CCn1nc(C)c(C(=O)N2CCO[C@@H](c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)c1C 19523713 AQWFMRVLVOSFEQ-MRXNPFEDSA-N 449.433 3.802 0 40 IHAB COc1ccc(CN(Cc2cnc(N3CCCCC3)nc2)C[C@@H]2CCCO2)cc1OC 19560735 LBDDCKOUYQEYTL-NRFANRHFSA-N 426.561 3.665 0 40 IHAB CN(C)c1ccc(C(=O)N[C@H](Cc2cc(=O)[nH]c(-c3cccnc3)n2)c2ccccc2)cc1 19584813 QIVANJYQOUVFGN-HSZRJFAPSA-N 439.519 3.612 0 40 IHAB COc1cc(CN2CC[C@@](Cc3cccc(-c4ccncc4)c3)(C(N)=O)C2)cc(OC)c1 19595071 HTAZVENDXHJKNS-SANMLTNESA-N 431.536 3.686 0 40 IHAB O=C(COc1ccccc1F)N1CCC[C@@H](c2ccc(C(=O)N3CCCCC3)cn2)C1 19705619 UIUJZKZGQMASCW-LJQANCHMSA-N 425.504 3.632 0 40 IHAB CC(C)NC(=O)c1cc([C@@H]2CN(Cc3cnc(C(C)C)nc3)CCO2)nc2ccccc12 19762065 VOJTVSLEVLLKTI-QHCPKHFHSA-N 433.556 3.860 0 40 IHAB COc1ccc(CN(C)C(=O)CCCN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1OC 20451056 GNHMHPVHASSIQV-UHFFFAOYSA-N 448.585 3.525 0 40 IHAB O=C1C[C@H](N2CCc3[nH]c4ccc(OC(F)(F)F)cc4c3C2)C(=O)N1c1ccccc1 20677538 CXUAQPHPPUQQJQ-IBGZPJMESA-N 429.398 3.757 0 40 IHAB CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)c2c(C)nn(-c3ccccc3)c2Cl)cc1 21157543 POFPUDLYBDZKKG-AWEZNQCLSA-N 440.887 3.977 0 40 IHAB CCC[C@H](C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OCC)c(C)c1 22247449 OXRHHIXIKJQCDK-RXVVDRJESA-N 432.586 3.588 0 40 IHAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O 22330708 NJALPZXASPIZDT-QGZVFWFLSA-N 436.961 3.833 0 40 IHAB Cc1ccc(-n2c(SCc3nc(-c4cccs4)no3)nnc2N2CCOCC2)cc1 24754368 JPBYTMNCQPBONQ-UHFFFAOYSA-N 440.554 3.816 0 40 IHAB CCCCN1C(=O)C[C@@H](C(=O)NCCCn2cnc3ccccc32)[C@H]1c1ccc(OC)cc1 25400319 JAAXHYGPVIVLLD-PXDATVDWSA-N 448.567 3.941 0 40 IHAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)NCCc2c[nH]c3ccccc23)c(C)c1 28274394 JROGZAGYIHPXRN-QFIPXVFZSA-N 439.581 3.605 0 40 IHAB C[C@H]1Oc2ccc(NC(=O)c3cc(=O)c4ccc(Br)cc4o3)cc2NC1=O 28293752 XWPIKQLRZWCJLU-SECBINFHSA-N 429.226 3.527 0 40 IHAB O=C1CN(C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)c2ccccc2N1 30872547 MTUGUWLGHQRKJW-UHFFFAOYSA-N 441.896 3.740 0 40 IHAB COc1ccc(OC)c2c1CN(Cn1nc(-c3ccc(Cl)cc3)n(C)c1=S)C[C@H]2O 31783882 DGMUMROSWRTPJG-MRXNPFEDSA-N 446.960 3.795 0 40 IHAB COc1ccc(C2=NN(C(=O)COc3ccc(Cl)c(C)c3)[C@@](O)(C(F)(F)F)C2)cc1 32101017 ILMUKDQTRZYJEH-IBGZPJMESA-N 442.821 3.923 0 40 IHAB CCOC(=O)N1CCC(NC(=O)c2csc(Nc3ccc(OC(F)F)cc3)n2)CC1 35596754 AMPOTCLOHKYZPV-UHFFFAOYSA-N 440.472 3.839 0 40 IHAB CCN(Cc1ccc2c(c1)OCO2)C(=O)Nc1cc(C(=O)OC)ccc1N1CCCC1 40104482 SKPZEUBBYAJMDH-UHFFFAOYSA-N 425.485 3.856 0 40 IHAB Cc1cccc(C(=O)NCCNC(=O)Cc2c(C)nn(-c3ccc(C)c(Cl)c3)c2C)c1 58014226 OFIMPJZDXVQFEM-UHFFFAOYSA-N 438.959 3.848 0 40 IHAB CCN(CC)C(=O)c1ccc(CNC(=O)N2CCCN(CC3CCCCC3)CC2)cc1 58184646 KSWDQVWECDOGPU-UHFFFAOYSA-N 428.621 3.966 0 40 IHAB Cn1c(SCC(=O)NCc2ccc(Cl)cc2)nnc1-c1ccc2c(c1)OCCCO2 64987220 WGFPPUBHDJIDCN-UHFFFAOYSA-N 444.944 3.705 0 40 IHAB CCc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cccc(C(F)(F)F)c4)ncn3n2)cc1 67208690 GTAPTBMKTBNFLA-UHFFFAOYSA-N 441.413 3.778 0 40 IHAB CNC(=O)c1cc(NC(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)ccc1F 72289446 FZCXPYRORYDQMW-NRFANRHFSA-N 426.536 3.780 0 40 IHAB CCN1CCN(C(=O)Cc2ccc(OC)cc2)[C@@H](Cc2ccccc2-c2cccnc2)C1=O 72351552 JHAYKWAUKQKXHG-VWLOTQADSA-N 443.547 3.602 0 40 IHAB Cc1cc(C)nc(Nc2cccc([C@@H]3CCCN3C(=O)CN3CCc4ccccc4C3)n2)n1 72375327 MSLVARWKBIARPA-QHCPKHFHSA-N 442.567 3.954 0 40 IHAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H]1c1cccc(Nc2ccccn2)n1 72375680 XFVQCSTVLRYGDZ-KRWDZBQOSA-N 428.489 3.894 0 40 IHAB O=C(CN1CCC[C@@H]1c1cc(CCOc2cccc(Cl)c2)[nH]n1)Nc1nccs1 72378320 VYVYQYNSBJTXTP-GOSISDBHSA-N 431.949 3.917 0 40 IHAB O=C(c1ccccc1)N1CCC[C@H](c2nn(CCOc3ccccc3)c3nccnc23)C1 72395874 KVELMQGPYVJEDO-FQEVSTJZSA-N 427.508 3.925 0 40 IHAB COc1ccc(-c2coc3c4c(cc(OC)c3c2=O)OC(=O)C[C@H]4c2ccnn2C)cc1 85878139 YLYCKDFZQIHLPE-HNNXBMFYSA-N 432.432 3.652 0 40 IHAB biogenic O=C(COC(=O)c1c2c(nc3ccccc13)CCCC2)Nc1ccc(N2CCOCC2)cc1 89866558 JSOKDLYEXRIKCO-UHFFFAOYSA-N 445.519 3.746 0 40 IHAB CS[C@@H]1CN(C(=O)Nc2cccc(COCCOc3ccccc3)c2)C[C@H]1N(C)C 95996500 CWXTUUJFTIGVFC-FGZHOGPDSA-N 429.586 3.792 0 40 IHAB Cc1cc(C)c(S(=O)(=O)Nc2cccc(N3CCCCC3=O)c2)c(C)c1CC(=O)O 96007266 ZZVNKXGQPQLXSV-UHFFFAOYSA-N 430.526 3.557 0 40 IHAB Cc1cnc(CNC(=O)c2ccn(-c3ccc4ccc(-c5cccc(F)c5)cn34)n2)cn1 96155403 BOKAXNDZKATXNN-UHFFFAOYSA-N 426.455 3.960 0 40 IHAB CCOc1ccc(C(=O)COC(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)cc1 97654833 VDZQLMDHSUOXIZ-RCCKNPSSSA-N 444.447 3.756 0 40 IHAB CCn1cc(NC(=O)[C@H]2[C@H]3CC[C@@H](C3=C(C)C)[C@H]2C(=O)O)c(C(=O)NC2CCCCC2)n1 102644691 UWBBAKSRUFMVAU-CPLUKWAASA-N 442.560 3.597 0 40 IHAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 103029446 UYUDDEFGNRZNAD-KDURUIRLSA-N 435.549 3.969 0 40 IHAB COC(=O)[C@@H](c1cc(F)c(F)c(F)c1)N(C)CC(=O)N[C@@H](c1ccc(C)cc1)C1CC1 107362630 IHNUACMOVHBJPK-FCHUYYIVSA-N 434.458 3.826 0 40 IHAB COC(=O)c1cc(S(=O)(=O)NCCSCc2c(F)cccc2Cl)ccc1C 145769677 RBILXRAMVVCXHR-UHFFFAOYSA-N 431.938 3.786 0 40 IHAB O=C(CCCN1C(=O)c2cccc3cccc1c23)Nc1ccccc1C(=O)N1CCOCC1 219463051 YUETZVNSKAWEQK-UHFFFAOYSA-N 443.503 3.691 0 40 IHAB CC[C@H](C(=O)n1cc(C(=O)OC)c2ccccc21)N(c1cc(C)cc(C)c1)S(C)(=O)=O 222633966 LVELILWODTZSEI-HXUWFJFHSA-N 442.537 3.930 0 40 IHAB Cc1ccc(C)c(N(CCCC(=O)Nc2nnc(SC(C)C)s2)S(C)(=O)=O)c1 222709670 AXVBIARUAHATKU-UHFFFAOYSA-N 442.632 3.840 0 40 IHAB CCOCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(Cl)cc1 222998549 PKKFEWVDOAAHBA-SFHVURJKSA-N 446.975 3.851 0 40 IHAB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(C(=O)O)cc2C)o1 223030279 CQNGYFFTBUQYCN-RTWAWAEBSA-N 437.521 3.967 0 40 IHAB CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc2c(c1)OCCO2 223279780 WHNJZZLWLHMDIX-SFHVURJKSA-N 442.531 3.863 0 40 IHAB Cc1cc(C)cc(N(CCCC(=O)NCCOc2ccccc2Cl)S(C)(=O)=O)c1 224056081 AEMSFNSSFIGYCL-UHFFFAOYSA-N 438.977 3.698 0 40 IHAB CCOc1ccc(N(CC(=O)OC)S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)cc1 224616912 WBZBYIIUBVKPFE-UHFFFAOYSA-N 448.324 3.769 0 40 IHAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1F 225594798 VWZBURCNNPPMQT-HSZRJFAPSA-N 434.511 3.899 0 40 IHAB CC[C@@H](NC(=S)Nc1cccc(N2CCCC2=O)c1)c1ccc(S(C)(=O)=O)cc1 225725538 REQSROQGUUENAL-LJQANCHMSA-N 431.583 3.655 0 40 IHAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCCN(C)c2ccccc2)cc1 225857047 SADFGWSBLIYWGV-NKFKGCMQSA-N 433.508 3.702 0 40 IHAB COc1ncccc1CN1CCN(CC2CC2)[C@@H](c2cn3c(N4CCCC4)cccc3n2)C1 306132151 LABSLVDALNJFGI-HSZRJFAPSA-N 446.599 3.607 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 408618384 FYUWSZOGFMCMIZ-SNVBAGLBSA-N 436.839 3.673 0 40 IHAB O=C1[C@@H]2[C@H](C(=O)N1C[C@@H]1CCCO1)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408649484 DRPRLNNGIYDTSZ-DIKBFBTOSA-N 428.315 3.759 0 40 IHAB Cc1ccccc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@@H]3CC[C@@H](C)C[C@H]3C2=O)cc1 408667799 SYXOGCVQTCEVHO-CDHQVMDDSA-N 434.492 3.716 0 40 IHAB O=C(c1cccc(-c2noc(C(F)(F)F)n2)c1)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F 552476552 ZGEDWGLRSZFBAJ-CJNGLKHVSA-N 439.340 3.982 0 40 IHAB CCCc1c(C)c2c(O[C@H](C)C(=O)OCC)cc(O[C@@H](C)C(=O)OCC)cc2oc1=O 627798 HWTRYCHJYHYCNK-LSDHHAIUSA-N 434.485 3.715 0 40 IHAB O=C(C[C@@]1(O)C(=O)Nc2cc(Br)ccc21)c1ccc(Br)cc1 642098 FHTNNIQJIDYYEK-INIZCTEOSA-N 425.076 3.624 0 40 IHAB O=C(COc1ccccc1)N1CCN(c2ncnc3c(-c4ccc(F)cc4)nsc23)CC1 1370627 NMOUHGQRMMNKGC-UHFFFAOYSA-N 449.511 3.620 0 40 IHAB Cc1ccc(C(=O)COC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccco2)cc1 2937315 WYNCAQMSTRPHTL-OAQYLSRUSA-N 430.460 3.837 0 40 IHAB COc1cc(NC(=O)COC(=O)c2cc(Br)ccc2Cl)cc(OC)c1 3467305 ZCHJCZYPFNRVJU-UHFFFAOYSA-N 428.666 3.915 0 40 IHAB c1ccc(CC2CCN(c3nc4nonc4nc3Nc3ccc4c(c3)OCO4)CC2)cc1 3771946 DERDIINQSQFMJW-UHFFFAOYSA-N 430.468 3.944 0 40 IHAB CCOC(=O)c1sc2ccccc2c1S(=O)(=O)N1CCN(c2ccccc2F)CC1 8604813 PJXMWEBGIDUEQY-UHFFFAOYSA-N 448.541 3.728 0 40 IHAB O=C(OCC(=O)N(CCc1ccccc1)Cc1ccccc1)c1ccccc1NCCO 9162944 HZMWMGUHLZAIDO-UHFFFAOYSA-N 432.520 3.519 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(CC(C)C)C(=O)C(C)(C)CO3)cc1 9172542 MWFCDHUNHDXNGY-UHFFFAOYSA-N 432.542 3.904 0 40 IHAB CCOC(=O)c1ccc2nc(NC(=O)CSc3nc(SC)ns3)sc2c1 9191422 DQOVLTWMAYFYAJ-UHFFFAOYSA-N 426.570 3.777 0 40 IHAB COc1ccc(C(=O)NCc2ccccc2F)cc1S(=O)(=O)N(C)Cc1ccccc1 9284965 XIWLQNJGJRKIED-UHFFFAOYSA-N 442.512 3.585 0 40 IHAB COc1ccc(CCNC(=O)CSc2nc(-c3ccc(C)cc3)ns2)cc1OC 9404019 SYQMNAHWKXUKOC-UHFFFAOYSA-N 429.567 3.982 0 40 IHAB CC(=O)c1ccc(N2C(SCCCc3ccccc3)=N[C@H]3CS(=O)(=O)C[C@@H]32)cc1 9411058 PDIMQPXDLBNESV-SFTDATJTSA-N 428.579 3.597 0 40 IHAB O=C(Cc1csc(NC(=O)c2ccc3c(c2)OCO3)n1)Nc1nc2ccccc2s1 9659330 SMRRRQMICOOEQF-UHFFFAOYSA-N 438.490 3.915 0 40 IHAB CCCCc1ccc(-n2nnnc2SCC(=O)NC(=O)Nc2ccccc2F)cc1 9729909 FWJILOFHBXJGRB-UHFFFAOYSA-N 428.493 3.584 0 40 IHAB COc1ccc(CNc2nc(NCc3ccc(OC)cc3)n(C(=O)c3cccnc3)n2)cc1 9847044 DLGMUORZVBAGAZ-UHFFFAOYSA-N 444.495 3.603 0 40 IHAB Cc1cc(C)c(NC(=O)CNC(=O)c2ccccc2SCC(=O)N2CCCC2)c(C)c1 9871589 ONJYHIDMIRGYIA-UHFFFAOYSA-N 439.581 3.695 0 40 IHAB CC(=O)C[C@@]1(O)C(=O)N(Cc2ccccc2OC(C)C)c2ccc(Br)cc21 9872839 PXGOPRBCQXGAPN-NRFANRHFSA-N 432.314 3.950 0 40 IHAB O=C(COc1ccc(Br)cc1)Nc1cccc(Cl)c1N1CCOCC1 9972104 QDIMMXMIMUFTLO-UHFFFAOYSA-N 425.710 3.957 0 40 IHAB CCOC(=O)c1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nc(=O)[nH]c1C 10213769 PBJKVIJOZGMECK-UHFFFAOYSA-N 449.838 3.658 0 40 IHAB Cc1c(C)n2c3c(=O)n(CCCc4ccccc4)c(=O)n(C)c3nc2n1-c1ccccc1F 10271902 OZGHYPTWLKFFPZ-UHFFFAOYSA-N 445.498 3.527 0 40 IHAB O=C(Cc1c(F)ccc(F)c1F)NC[C@@H]1Cc2cc(Cl)cc(-c3ncccn3)c2O1 11881088 CVMBKXMWJGRYRZ-ZDUSSCGKSA-N 433.817 3.877 0 40 IHAB COc1ccc(C(=O)N2C[C@H]3CCCN(Cc4cc5c(cc4Cl)OCO5)[C@H]3C2)cc1 12328379 SASBTZHTZQVMIC-UZLBHIALSA-N 428.916 3.814 0 40 IHAB COCCCn1c(C)c(C)c(S(=O)(=O)c2ccc(F)cc2)c1NC(=O)c1ccco1 12391331 PMMHEAKMNQRTLT-UHFFFAOYSA-N 434.489 3.959 0 40 IHAB COc1cc(CNC(=O)c2nc(-c3ccc(C(F)(F)F)cc3)no2)cc(OC)c1OC 12418760 ITUUBPXJFRWPNV-UHFFFAOYSA-N 437.374 3.711 0 40 IHAB O=C(CN1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21)Nc1ccc(F)cc1Cl 12561877 RUGGIKUBLMJNEP-FQEVSTJZSA-N 431.895 3.698 0 40 IHAB C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)o1 12607102 RECYCGWDQJUZQQ-ZHBFVYIWSA-N 437.540 3.728 0 40 IHAB O=C(COc1ccc(-c2ccccc2)cc1Cl)NN1C(=O)NC2(CCCCC2)C1=O 13163627 HXOKSEXIFFIYRN-UHFFFAOYSA-N 427.888 3.672 0 40 IHAB O=C(Nc1ccc2c(c1)OCO2)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1 13583557 DAKYVLWFNHCHGI-UHFFFAOYSA-N 436.489 3.809 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3ccccc3F)cc2)cc1 13585119 DACYHLUMRHOVEJ-UHFFFAOYSA-N 428.485 3.977 0 40 IHAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CC3)cc1 13696189 SKYDFMIJSPNQQC-UHFFFAOYSA-N 441.534 3.710 0 40 IHAB CCn1c(N2CCOCC2)nn(CN2CCc3sccc3[C@H]2c2ccccc2)c1=S 14201259 RPYFQFAEQNWEIZ-HXUWFJFHSA-N 441.626 3.937 0 40 IHAB COc1ccc(NC(=O)[C@@H]2C[C@@H](CCSC)N[C@@]23C(=O)Nc2ccc(C)cc23)cc1 15971858 FAPYWKDYRHITMC-BVZALQNUSA-N 425.554 3.521 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl 16188011 PEZXLCNKPWUVLJ-UHFFFAOYSA-N 437.732 3.915 0 40 IHAB CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(OCC(C)C)c(O)c2)NC(=S)N1 16734009 FAMSRBAGRLVRQY-NRFANRHFSA-N 426.538 3.963 0 40 IHAB Cn1ccnc1-c1c(-c2ccc(F)cc2)cnn1CCNC(=O)[C@@H]1OCCc2ccccc21 19291746 VDMWBENRIPZWBK-HSZRJFAPSA-N 445.498 3.520 0 40 IHAB O=C1CCCC[C@]2(CN(CC3CCN(Cc4ccccc4)CC3)C[C@H]2c2ccccn2)N1 19371828 GHDFZAWKKGCZHD-RPLLCQBOSA-N 432.612 3.822 0 40 IHAB CC(C)c1nc(N2CCC(NC(=O)c3cc(C4CC4)nn3C)CC2)ncc1-c1ccncc1 19451643 GWZTZSULFSRYNK-UHFFFAOYSA-N 445.571 3.672 0 40 IHAB CCC(CC)C(=O)N1CC[C@@H](c2nc(O)c3c(n2)CN(Cc2ccc(OC)cc2)CC3)C1 19500093 UVSSVJDNJSWFEQ-LJQANCHMSA-N 438.572 3.501 0 40 IHAB COc1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(Cl)ccc2O3)cc1OC 19559905 CSWLEDBZLRTTHX-OALUTQOASA-N 433.932 3.741 0 40 IHAB COc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@@H](O)c3c[nH]c4cc(OC)ccc34)CC1)O2 19562174 AXJSHCAYUXIJLL-DHIUTWEWSA-N 438.524 3.569 0 40 IHAB COc1ccc(CC(=O)N2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccncc2)cc1 19585236 MEXPOAWRQXQJBP-QFIPXVFZSA-N 431.540 3.910 0 40 IHAB Cc1ncsc1C(=O)N1CC[C@H](c2nc(C)c3c(n2)N(Cc2ccccc2)C(=O)CC3)C1 19738792 JOPVGOJAEGKXQH-SFHVURJKSA-N 447.564 3.659 0 40 IHAB COc1ccc(NC(=O)c2cnc(C)nc2CC2CCN(C(=O)c3cccnc3)CC2)cc1 19759041 KDRVOLWUJZZVOX-UHFFFAOYSA-N 445.523 3.536 0 40 IHAB Cc1ccccc1NC(=O)Cn1c(CN2CCCC2)nc2sc3c(c2c1=O)CCCC3 19983063 YEDNPEFFKXLCTQ-UHFFFAOYSA-N 436.581 3.880 0 40 IHAB CSc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3c(F)cccc3F)CC2)cc1 20567997 DUNPSOWJDCCICY-UHFFFAOYSA-N 426.510 3.726 0 40 IHAB C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N1CCN(c2cccc(Cl)c2)CC1 20681207 IHZRBFTZQRNCKQ-RNXZQOMOSA-N 445.007 3.645 0 40 IHAB CCN(Cc1ccccc1)C(=O)[C@H](C)Sc1nnc([C@@H]2COc3ccccc3O2)n1C 22083365 HXOYYRBPOHEXLS-JXFKEZNVSA-N 438.553 3.857 0 40 IHAB CCOc1cccc(CNC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c1 22532685 ILFYYTLMFRHEOA-UHFFFAOYSA-N 438.549 3.982 0 40 IHAB COc1ccc2sc(N(CCN3CCOCC3)C(=O)/C=C/c3cccs3)nc2c1 22998364 DOSWMXDDCRUJES-FNORWQNLSA-N 429.567 3.745 0 40 IHAB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)N[C@H](C)CCc2ccccc2)CC1 24611099 MXSBDBATVJURRC-HXUWFJFHSA-N 428.598 3.674 0 40 IHAB CS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](c2ccc3c(c2)CCC3)c2cccs2)cc1 24749658 CJINDXSGXRAVNG-OAQYLSRUSA-N 447.603 3.708 0 40 IHAB O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1ccccc1C(=O)c1ccccc1 25326250 ZMCBSWPSNRBEBE-XMMPIXPASA-N 432.495 3.860 0 40 IHAB CC(C)(C)c1ccc(Cn2nccc2NC(=O)CN2C(=O)CCOc3ccccc32)cc1 26794668 QNGJIVIUCZXPIJ-UHFFFAOYSA-N 432.524 3.983 0 40 IHAB O=C(CSc1nnc(Nc2cccc(F)c2)s1)NC(=O)Nc1ccc2c(c1)OCO2 27427235 KNJMHCMBJOPSTD-UHFFFAOYSA-N 447.473 3.590 0 40 IHAB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCO1)Nc1nccs1 28419361 CJHAWGDBJMUQNQ-CQSZACIVSA-N 435.962 3.965 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(Cc3csc(-c4ccc(C)o4)n3)CC2)c(C)c1 29693928 OLBLBAQGGPAZNK-UHFFFAOYSA-N 431.583 3.835 0 40 IHAB O=C(NC1CCN(C(=O)c2ccoc2)CC1)c1cc(-c2ccncc2)nc2ccccc12 31024576 FANGECICDLVRRK-UHFFFAOYSA-N 426.476 3.924 0 40 IHAB Cc1cc(NC(=O)c2nc3ccccc3nc2N2CCOCC2)ccc1Br 32642909 NKJHQLDAVYTZLH-UHFFFAOYSA-N 427.302 3.790 0 40 IHAB O=C(c1cccc(S(=O)(=O)NC2CCCC2)c1)N1CCC[C@H]1c1nc2ccccc2[nH]1 32786788 OEAIVZUXFUIQEF-NRFANRHFSA-N 438.553 3.761 0 40 IHAB CS(=O)(=O)c1ccc(C(=O)Nc2ncc(Cc3ccc(F)c(F)c3F)s2)cc1 40110680 LKVJKSCQXXZXTA-UHFFFAOYSA-N 426.441 3.807 0 40 IHAB CCc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)N(C)C1CCCCC1 46027661 KFNOFVMXFFPROB-UHFFFAOYSA-N 443.613 3.842 0 40 IHAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 58369791 DVSKCCHFZSOQAA-UHFFFAOYSA-N 431.464 3.603 0 40 IHAB COc1ccc(NC(=O)Cn2c(C)cc3nc(SC)n(CC(C)C)c(=O)c32)c(OC)c1 67319878 RIQLOBPGSRNNHY-UHFFFAOYSA-N 444.557 3.540 0 40 IHAB CN(C)[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1cccc(F)c1 69366564 DJSOGJVFSWXGMX-BEFAXECRSA-N 437.437 3.617 0 40 IHAB COc1ccccc1CNC(=O)c1cnc([C@@H]2CCCN2C(=O)C2CCCCC2)nc1C 72345381 FDCQWHPSGDEJME-NRFANRHFSA-N 436.556 3.967 0 40 IHAB CCN1CCN(C(=O)Cc2cccc(F)c2)[C@H](Cc2ccccc2-c2cccnc2)C1=O 72351555 XQACATZCMOVPJM-XMMPIXPASA-N 431.511 3.732 0 40 IHAB Cc1cc(Nc2cnccn2)cc([C@@H]2CCCN(S(=O)(=O)c3ccc(C)c(F)c3)C2)n1 72374930 AETDKDUESCBIPM-QGZVFWFLSA-N 441.532 3.939 0 40 IHAB CCOc1cc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4cccnc4)n3)C2)c(C)cc1OC 72393171 PQMISJGFYMHCAB-LJQANCHMSA-N 434.540 3.927 0 40 IHAB COC(=O)c1nc(NC(=O)Cc2nn(C(C)C)c(=O)c3ccccc23)sc1C(C)C 72401467 GNLRBHFYHAEUHP-UHFFFAOYSA-N 428.514 3.525 0 40 IHAB COc1ccc(Cl)cc1NC(=O)N1CCc2nc(NC(=O)c3cc(C)on3)sc2C1 77196484 IXYKCHFHQVQXGY-UHFFFAOYSA-N 447.904 3.944 0 40 IHAB Cc1noc([C@H]2CCCN(C(=O)c3cc(-c4ccccc4)c(N4CCOCC4)s3)C2)n1 84286589 AYBDMBDWYYOMLD-SFHVURJKSA-N 438.553 3.963 0 40 IHAB CCOc1ccc(NS(=O)(=O)C2CCC(C)(C)CC2)cc1S(=O)(=O)N1CCCC1 89269743 NZAWXTPPACRKNJ-UHFFFAOYSA-N 444.619 3.580 0 40 IHAB CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(CNC(=O)C3CCCCC3)cc2)CC1 94992576 PNCNZEOXOXKRAL-UHFFFAOYSA-N 429.561 3.576 0 40 IHAB COc1ccc(OC)c(CNC(=O)[C@H]2C[C@@H]3CC[C@]2(C)C[C@]32NC(=O)c3ccccc3N2)c1 100117329 UDKKICFLKGKQIQ-QCNPMDCWSA-N 449.551 3.698 0 40 IHAB CC(C)N1CCc2c(nc3cc([C@@H]4CCCCN4C(=O)c4cccc(F)c4)nn3c2O)C1 100234050 VPCVHVHXQFCGIY-NRFANRHFSA-N 437.519 3.708 0 40 IHAB O=C(NCCn1ncc(-c2cnccn2)c1-c1cccs1)C12C[C@@H]3C[C@H](CC(O)(C3)C1)C2 100743520 WPZFNGQQXXBKQX-GAAJCNLQSA-N 449.580 3.516 0 40 IHAB COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)ccc1OCC(C)C 106758280 INJUWCFBPHQCKH-UNOMPAQXSA-N 432.542 3.779 0 40 IHAB CCOc1ccccc1CNC(=O)CN1c2ccc(C)cc2-c2ccccc2S1(=O)=O 219161868 XHUKYLYBODRXKJ-UHFFFAOYSA-N 436.533 3.886 0 40 IHAB CC[C@H](Oc1ccccc1OC)C(=O)NCc1nc(-c2cccc(Br)c2)no1 219569264 GBQJYVAVVWTALR-HNNXBMFYSA-N 446.301 3.982 0 40 IHAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 219698644 SQGDHYRLJNDDCY-GOSISDBHSA-N 436.961 3.688 0 40 IHAB C[C@H](C(=O)NCCCc1ccccc1)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 220201022 XVNHJISRLHGYOD-OAHLLOKOSA-N 428.476 3.609 0 40 IHAB CCCOc1ccccc1CCCNC(=O)[C@H](C)N(c1ccccc1F)S(C)(=O)=O 220318970 LZNATUWLFZWFMX-KRWDZBQOSA-N 436.549 3.518 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)N4CCc5ccccc5C4)ccc32)cc1 223069153 TVMLZWMPBDNPHW-UHFFFAOYSA-N 432.545 3.945 0 40 IHAB COc1ccccc1CCCNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 223963280 MEWJSBQMQLCVLG-UHFFFAOYSA-N 442.512 3.998 0 40 IHAB Cc1cccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)c1 224024715 DWUKGKXONPVJQV-UHFFFAOYSA-N 430.570 3.677 0 40 IHAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 225512378 DCMZJWFREQOORL-WIYYLYMNSA-N 442.581 3.814 0 40 IHAB Cc1nc(-c2ccc(S(=O)(=O)NC[C@@](O)(c3ccco3)c3cccs3)cc2)co1 225591335 SCXOTQLLZIFTJK-HXUWFJFHSA-N 430.507 3.519 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C)c2)Cc2ccccc2)cc1 226009068 JMNCSZZMHCIKKP-UHFFFAOYSA-N 438.549 3.511 0 40 IHAB Cc1cc(Nc2ccccn2)cc([C@@H]2CN(C(=O)CCc3[nH]nc4c3CCCC4)CCO2)n1 257320024 VVAMMQPGQFINHO-QHCPKHFHSA-N 446.555 3.663 0 40 IHAB CCc1nnc(Nc2cccc([C@H]3CN(C(=O)c4sc(C)nc4C)CCO3)n2)s1 257328149 XEJBKJRQETZKOE-CQSZACIVSA-N 430.559 3.526 0 40 IHAB Cc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(Br)cc2)c(C)c1 408663795 NYOIRCBGZITDRE-UHFFFAOYSA-N 433.302 3.967 0 40 IHAB CC(=O)Oc1ccc(C(=O)COC(=O)CCC(=O)Nc2ccccc2C(F)(F)F)cc1 409177880 IVWRTOPHHORPLP-UHFFFAOYSA-N 437.370 3.776 0 40 IHAB Cc1nc(S/C(=C\c2cn(CC(=O)Nc3ccccc3)c3ccccc23)C(=O)O)n[nH]1 409193749 LHVPYKIBBJDBEP-ODLFYWEKSA-N 433.493 3.924 0 40 IHAB COCCCNC(=O)CSc1nnc(CCc2ccccc2)n1-c1ccc(Cl)cc1 409216276 JOXKNCUOLRUDBR-UHFFFAOYSA-N 444.988 3.951 0 40 IHAB CC(C)(C)OC(=O)N1C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@H](CO)C1 953122116 GIHJSNNUOPYMOS-KSFYIVLOSA-N 438.524 3.753 0 40 IHAB COc1cc(NC(=O)c2ccccc2C(=O)O)c(OC)cc1NC(=O)Cc1ccccc1 1324380 WTVDBEGNYIQEDY-UHFFFAOYSA-N 434.448 3.836 0 40 IHAB O=C(Nc1ccc(OC(F)(F)F)cc1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 1401344 FDFUDPAWFUAXDH-MRXNPFEDSA-N 432.395 3.516 0 40 IHAB Cc1c(O[C@H](C)C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)ccc2c3c(c(=O)oc12)CCCC3 2109081 CUWCCCONWHQQCC-UYPAYLBCSA-N 439.552 3.901 0 40 IHAB biogenic CCOC(=O)[C@](NC(=O)N(C1=NCC(C)(C)S1)c1cccc(C)c1)(OC)C(F)(F)F 2270370 RHDNTURYKSGKIW-SFHVURJKSA-N 447.479 3.861 0 40 IHAB biogenic O=C(CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1)N1CCc2ccccc2C1 3345557 VIGQGPODUDGUAX-GOSISDBHSA-N 440.594 3.863 0 40 IHAB COc1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1S(=O)(=O)NC1CCCC1 3387763 CMPINBYOUJODLJ-FQEVSTJZSA-N 428.554 3.724 0 40 IHAB Cc1cc(=O)oc2cc(OCC(=O)OCC(=O)Nc3ccc(C(F)(F)F)cc3)ccc12 3525230 VVEHFXUSTIUNGB-UHFFFAOYSA-N 435.354 3.681 0 40 IHAB C[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)N3CC(=O)Nc4ccccc43)c2C1 3536609 KAVPQKCHIGOVLB-HNNXBMFYSA-N 429.476 3.502 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2nc(C)c(NC(=O)Nc3nc(C)cc(C)n3)s2)cc1 6088930 CQEADZDWAVKTHV-UHFFFAOYSA-N 432.531 3.612 0 40 IHAB O=C(NC1CCCCC1)N[C@H]1CCN2C(=O)c3cc(-c4ccccc4)ccc3NC(=O)[C@H]12 8296907 SHSBMOVTPLLJRJ-VXKWHMMOSA-N 432.524 3.521 0 40 IHAB biogenic,in-vitro CCCOc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)c1 8723363 RKUHPLDJPPAENH-UHFFFAOYSA-N 440.525 3.935 0 40 IHAB Cc1cc(-c2nnc(S)n2-c2cnn(Cc3ccc(F)cc3)c2)c2c(C)nn(C)c2n1 8782560 YICWSRDJRPRVIR-UHFFFAOYSA-N 434.504 3.505 0 40 IHAB Cc1c(C(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCCCO4)C2=O)oc2ccccc12 8880612 ZWENKINWDBMQTO-DEOSSOPVSA-N 434.448 3.552 0 40 IHAB Cc1noc(C)c1CSc1ccccc1C(=O)OCC(=O)NC(=O)Cc1ccccc1 8883427 WZOIOBPVDHUDSY-UHFFFAOYSA-N 438.505 3.626 0 40 IHAB O=C(Cc1ccccc1)N(Cc1ccc(-c2ccc(F)cc2)o1)[C@H]1CCS(=O)(=O)C1 9130393 NKOMDPYYSZPILM-FQEVSTJZSA-N 427.497 3.844 0 40 IHAB Cc1cccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5c(C)cc(Cl)cc54)[C@@H]3C2=O)c1C 9242948 NRXABIVYYLKARO-PBQROFAYSA-N 449.938 3.696 0 40 IHAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC2(N3CCCCC3)CCCCC2)c1 9376827 XIUADDOWFNJCCH-UHFFFAOYSA-N 442.025 3.509 0 40 IHAB COc1ccc(OC)c(-n2c(SCC(=O)N[C@@H](C)C(C)C)nc3ccccc3c2=O)c1 9390445 FOVVJHVMFBRWFY-HNNXBMFYSA-N 441.553 3.656 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)OCC(=O)N1CCC(c2ccccc2)=N1 9415569 ZXJOVBMZHXFQEZ-BUHFOSPRSA-N 428.492 3.682 0 40 IHAB CCOCC(=O)Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1N1CCCC1 9445104 DYQLBYJIMITGHR-UHFFFAOYSA-N 437.949 3.716 0 40 IHAB Cc1ccc(S(=O)(=O)NCCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)c(C)c1 9515233 BTOAPWSHVXRJDA-GOSISDBHSA-N 443.594 3.945 0 40 IHAB O=C(COC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)NCc1ccc2c(c1)OCO2 9597046 QAZSBLDUSPKPJB-UHFFFAOYSA-N 449.303 3.926 0 40 IHAB Cc1ccc(NC(=O)CS[C@H](C)C(=O)OCC(=O)N[C@H]2CCCc3ccccc32)cc1 9634480 XEZQOWPPRGULDB-UTKZUKDTSA-N 440.565 3.792 0 40 IHAB COc1ccc(NC(=O)c2cnc(C)cn2)cc1S(=O)(=O)Nc1ccccc1Cl 9663776 HXLKYWXVABQHGS-UHFFFAOYSA-N 432.889 3.500 0 40 IHAB Cn1c(=O)n(Cc2ccc(Cl)c(Cl)c2)c(=O)c2c1nc1oc(-c3ccccc3)cn12 9789632 OBDGZMGXNBAMTE-UHFFFAOYSA-N 441.274 3.963 0 40 IHAB COc1cccc(NC(=O)CCCN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)c1 10366489 HELODCCCZAILGT-UHFFFAOYSA-N 426.922 3.542 0 40 IHAB Cc1cc(NC(=O)COc2cccc(Oc3ccccn3)c2)ccc1N1CCN(C)CC1 12522596 KFRHBCIQOHGQTJ-UHFFFAOYSA-N 432.524 3.952 0 40 IHAB COc1ccc(-c2nc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cs2)cc1OC 12564261 PRNWKLPJMQVSTH-UHFFFAOYSA-N 427.501 3.929 0 40 IHAB C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)N1CCCc2ccccc21 12635241 SAXZSYMUTZDBMI-GOSISDBHSA-N 427.570 3.641 0 40 IHAB COCCCn1c(C)cc(C(=O)CN(c2nccs2)S(=O)(=O)c2ccccc2)c1C 12806433 PVXNLVGCTOZMDO-UHFFFAOYSA-N 447.582 3.676 0 40 IHAB Cc1ccc(S(=O)(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)C[C@H]2CCCO2)cc1 13557208 RCTMZAPACOJHKZ-HXUWFJFHSA-N 426.538 3.515 0 40 IHAB CC[C@@H](NC(=O)c1cc2cc(OC)ccc2n1C)C(=O)NCCc1c[nH]c2ccccc12 13683448 UMPVEOOKOJMKPZ-HXUWFJFHSA-N 432.524 3.536 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(OC)cc3)cc2)cc1 13978181 SSBMWSWZCOGQHK-UHFFFAOYSA-N 442.493 3.522 0 40 IHAB O=C(COc1ccc(CCO)cc1-n1nc2ccccc2n1)N[C@@H]1CCCc2ccccc21 14128533 FBQLQAXCZRGASF-OAQYLSRUSA-N 442.519 3.528 0 40 IHAB COc1cccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)c1 16293498 FYBSCJLREHXTKL-UHFFFAOYSA-N 426.494 3.822 0 40 IHAB COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(Cc2c(C)nn(C)c2C)cc1 17102600 LABXXNUJFNXTSB-UHFFFAOYSA-N 438.553 3.772 0 40 IHAB O=C(c1cc[nH]n1)N1CC[C@H](c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)C1 19344216 VGUYALZRRWOHAT-NSHDSACASA-N 432.431 3.829 0 40 IHAB CCNC(=O)[C@@]1(Cc2ccccc2-c2cccc(C)c2)CCN(C(=O)c2cnccn2)C1 19529106 KSGGHZYVPCZLBW-AREMUKBSSA-N 428.536 3.663 0 40 IHAB COc1cc(CN2CCN(C)C(=O)[C@H](Cc3ccccc3-c3ccncc3)C2)cc(OC)c1 19589676 SRJSPPMKAIYLCN-HSZRJFAPSA-N 445.563 3.899 0 40 IHAB COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2CCCCN2C(=O)c2cnn(C)c2C)cc1 19694333 IVWJNIJWLWHVIW-NRFANRHFSA-N 434.544 3.628 0 40 IHAB COc1ccc(-c2cnc(N(C)C)nc2[C@H]2CN(C(=O)CCc3ccccc3)CCO2)cc1 19694939 QEJQNSKNFNPTHE-HSZRJFAPSA-N 446.551 3.751 0 40 IHAB Cc1nccn1CCC(=O)N1CCC([C@@H]2CCCCN(CCc3ccccc3)C2=O)CC1 19744053 AHQADCCQTYWMGN-DEOSSOPVSA-N 436.600 3.692 0 40 IHAB O=C(Nc1nccs1)c1cc([C@@H]2CCN(C(=O)c3cccnc3)C2)nc2ccccc12 19754885 PGYYIHVVVQGAGI-MRXNPFEDSA-N 429.505 3.968 0 40 IHAB Cc1nc([C@@H]2CCCCN2Cc2ccc(OCc3c(C)noc3C)cc2)ncc1C(N)=O 19764491 RRPQNGHIEZMLJE-QFIPXVFZSA-N 435.528 3.795 0 40 IHAB COc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3cc(C)no3)n2C[C@H]2CCCO2)cc1 21906439 XDYLONCCBVTRCS-RHSMWYFYSA-N 443.529 3.548 0 40 IHAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)OC(=O)CCc1nc2ccccc2s1 23560233 MXOSCDMDRKZTFV-MRXNPFEDSA-N 439.537 3.532 0 40 IHAB COc1ccc(N2C[C@H](C(=O)Nc3nc(-c4cccs4)cs3)CC2=O)cc1OC 24749693 DDQGCUIBSHRXBH-GFCCVEGCSA-N 429.523 3.880 0 40 IHAB CN(C)C(=O)c1cccc(NC(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)c1 25326374 HYBKDAPAPBTDEI-UHFFFAOYSA-N 438.534 3.527 0 40 IHAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1ccc(N2CCN(C)CC2)cc1 25804893 ZJVVAZKVWMHWMF-UHFFFAOYSA-N 442.567 3.822 0 40 IHAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)O2 30941469 NPIVXURZYUDOSW-QFIPXVFZSA-N 438.505 3.953 0 40 IHAB Cc1ccc(C)c(C(=O)[C@@H](C)OC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)c1 32776951 MOZZAILXTVEFQQ-SJORKVTESA-N 435.567 3.580 0 40 IHAB Cc1cccc(C)c1OCCOC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 32945233 KEPWVYFAZBRDJQ-UHFFFAOYSA-N 437.945 3.977 0 40 IHAB Cc1cccc(N2CCN([C@@H](c3ccc(F)cc3)c3nnnn3Cc3ccco3)CC2)c1C 35291381 VAVXZWUNQAGQAW-DEOSSOPVSA-N 446.530 3.982 0 40 IHAB COc1ccc(CNC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2C)cc1OC 38771939 YPMAPIWZIDOQRL-UHFFFAOYSA-N 440.521 3.743 0 40 IHAB Cc1csc(=O)n1CCC(=O)NC[C@@H](c1ccccc1)N1CCc2sccc2C1 40107176 SGIKDSLACPBMJB-IBGZPJMESA-N 427.595 3.586 0 40 IHAB C[C@@H]1CN([C@@H](CNC(=O)C2=NO[C@H](c3ccccc3)C2)c2c(F)cccc2Cl)CCO1 40156208 BTDBEUWKXACCRQ-NQERJWCQSA-N 445.922 3.875 0 40 IHAB O=C1COc2cc(S(=O)(=O)N[C@H](c3ccccc3)c3cccs3)c(Cl)cc2N1 43774519 SXDJUUKXJZGXEZ-LJQANCHMSA-N 434.926 3.800 0 40 IHAB Cc1cc(C(=O)COC(=O)c2cnc3ccc(Br)cn3c2=O)c(C)c(C)c1C 64150389 SEJGJQUHSOFESG-UHFFFAOYSA-N 443.297 3.730 0 40 IHAB CCN1c2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc2-c2ccccc2S1(=O)=O 64762042 RNICWXAIJCEWHZ-UHFFFAOYSA-N 436.489 3.906 0 40 IHAB Cc1cc2nc(SCC(=O)NCCCc3ccccc3)n(CCC(C)C)c(=O)c2[nH]1 67238143 MWJAYJXPHYIKIE-UHFFFAOYSA-N 426.586 3.920 0 40 IHAB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 72296883 FKLAVGFDIJYNJZ-AABGKKOBSA-N 447.576 3.747 0 40 IHAB COc1ccc(CCNC(=O)c2cn[nH]c2-c2cccc(Br)c2)cc1OC 72329076 CVGOIGBEAAVHPQ-UHFFFAOYSA-N 430.302 3.829 0 40 IHAB O=C(Cn1cnc2ccccc2c1=O)N1CCC(COCc2ccc(Cl)cc2)CC1 77191572 NNBDUHBABWJSEO-UHFFFAOYSA-N 425.916 3.505 0 40 IHAB NC(=O)c1ccc(NC(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)cc1Cl 89782774 WMNSXNNZPXWOON-KRWDZBQOSA-N 436.737 3.977 0 40 IHAB O=S(=O)(c1ccc(Br)c(Cl)c1)N(C[C@H](O)c1ccccc1)C1CC1 95461979 YTGICVPUACHPEU-KRWDZBQOSA-N 430.751 3.989 0 40 IHAB O=C(C[C@@H](Cn1cnnn1)c1ccc(Cl)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 95476542 VOWNFMPEBMBRON-SFHVURJKSA-N 449.946 3.783 0 40 IHAB COc1ccc(OC)c(NC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H]([C@H]6C[C@H]56)[C@H]4C3=O)c2)c1 100869255 QXSLRTUWBUCMBW-IBEPOWJWSA-N 444.487 3.514 0 40 IHAB Cc1ccc(C(=O)COC(=O)c2ccccc2N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1 101228377 VFVQIDHBAPXDDK-RYKVVUIFSA-N 441.483 3.592 0 40 IHAB O=C(COc1ccc(Cl)cc1Cl)N1CCC[C@@H](S(=O)(=O)c2ccc(F)cc2)C1 207984069 XQUWNMHJEONILV-MRXNPFEDSA-N 446.327 3.976 0 40 IHAB CSc1cccc(N(CC(=O)NCCSCc2ccccc2C)S(C)(=O)=O)c1 220065352 OTKTWOOQUHGNDE-UHFFFAOYSA-N 438.640 3.533 0 40 IHAB Cc1ccccc1[C@H](NC(=O)CN(Cc1ccccc1F)S(C)(=O)=O)c1ccccc1 222558265 SWDSXTJKBLBYAI-XMMPIXPASA-N 440.540 3.802 0 40 IHAB CCOc1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC)cc1OCC 222625112 OZGQPKUJRFCUOR-KRWDZBQOSA-N 430.520 3.719 0 40 IHAB COc1cc(C)c([C@H](C)NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)cc1C(C)C 223300839 KHUORCOUTDYNKA-SFHVURJKSA-N 447.601 3.617 0 40 IHAB CCOc1cccc(CN(C)S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCC3)c2)c1 223873596 ZKYOLXPCLBRFPT-UHFFFAOYSA-N 446.569 3.541 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCC1CCCCC1)c1ccc(Br)cc1 224679958 BDBCANJVKGSAPQ-UHFFFAOYSA-N 431.396 3.692 0 40 IHAB CCc1ccc(N(CCCC(=O)NCCOc2ccccc2Cl)S(C)(=O)=O)cc1 224746803 RNBAMFXLECDMNT-UHFFFAOYSA-N 438.977 3.644 0 40 IHAB C[C@H]1C[C@@H](C)CN(c2cc(N3CCCCCC3)nc(NC(=S)NC[C@@H]3CCCO3)n2)C1 225908797 PWGYKLXRLMPZPO-OTWHNJEPSA-N 446.665 3.805 0 40 IHAB C[C@@]12CC[C@@H](C[C@@H]1C(=O)N1CC[C@H](O)[C@@H]3CCCC[C@@H]31)[C@]1(C2)NC(=O)c2ccccc2N1 253596969 YQJQGTKZTQTWNK-OJHHQRFBSA-N 437.584 3.517 0 40 IHAB O=C1CO[C@@]2(CCN(C(=O)C3(c4ccccc4F)CCCC3)C2)CN1c1ccc(F)cc1 257224126 FAKYSMLUUJJVCP-XMMPIXPASA-N 440.490 3.811 0 40 IHAB O=C(c1cccc(OCCN2CCOCC2)c1)N1CC[C@H](Cc2cccc3ncccc23)C1 257237132 HFHMUVUZXDIQIB-OAQYLSRUSA-N 445.563 3.651 0 40 IHAB Cn1cc(C(=O)N2CCO[C@H](c3cccc(Cc4ccccc4C(F)(F)F)n3)C2)cn1 257298918 RNVYJJAOWMWLEN-FQEVSTJZSA-N 430.430 3.638 0 40 IHAB Fc1ccccc1CN1CCN(CC2CC2)[C@@H](c2cn3c(N4CCOCC4)cccc3n2)C1 306125329 CMQXTYVLPAIPQA-XMMPIXPASA-N 449.574 3.579 0 40 IHAB COc1cccc(C(=S)N2CCN(C)CC2)c1OCc1ccc(Br)cc1 408573282 JOUQLYPDRBBZEZ-UHFFFAOYSA-N 435.387 3.960 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H](C)CCc2ccccc2)C1 408583252 GPWDZAQCCIYMMU-PZJWPPBQSA-N 444.597 3.542 0 40 IHAB CCOc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OC)cc3OC)N(C)C2=S)cc1 409036952 MNNPNWSNYMPXMP-BOPFTXTBSA-N 428.510 3.716 0 40 IHAB COc1ccc([C@H]2[C@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccc(C(C)C)cc2)cc1 409054686 AZTPOAJULHTWQO-JLUQKLKGSA-O 442.539 3.835 0 40 IHAB COc1cc(Br)c(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc1OC 409243866 VMPWTXMOFVEDAO-LZYBPNLTSA-N 431.286 3.868 0 40 IHAB Cc1ccc(NC(=O)Cc2nnc(SCC(=O)Nc3cc(Cl)ccc3C)n2C)cc1 409327231 IJQLQPAZHAHOSC-UHFFFAOYSA-N 443.960 3.997 0 40 IHAB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1OC(C)=O 409355944 FYMITRYHAWMQQI-ODLFYWEKSA-N 440.477 3.604 0 40 IHAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCc3ccccc3)c(C)c2)cc1 409374905 BHZSEABILWANIW-UHFFFAOYSA-N 438.549 3.842 0 40 IHAB NS(=O)(=O)c1ccc(-c2nc(-c3cccc(Cn4cnc5ccccc54)c3)no2)c(F)c1 578110554 ATBVOXFIUULPKH-UHFFFAOYSA-N 449.467 3.588 0 40 IHAB Cc1nc(-c2ccc(NS(=O)(=O)c3cc4c5c(c3)CCN5C(=O)CC4)cc2)cs1 585419823 UFJHKSSSVNXGAQ-UHFFFAOYSA-N 425.535 3.755 0 40 IHAB CC(=O)N1CCC[C@@]1(Cc1ccccc1-c1ccccc1)C(=O)NCCn1ccc(C)n1 2037834615 VFODECVTLKWMRS-AREMUKBSSA-N 430.552 3.599 0 40 IHAB COc1ccc([C@H]2SCC(=O)N2CCN2C(=O)CS[C@@H]2c2ccc(OC)cc2)cc1 870032 MEIHFWBAEBWTRG-FGZHOGPDSA-N 444.578 3.552 0 40 IHAB COc1ccccc1[C@@H]1C[C@H](c2ccc(Cl)cc2)Nc2nc(N3C(=O)CCC3=O)nn21 2231598 NQDWLJXYRCCWIN-SJORKVTESA-N 437.887 3.740 0 40 IHAB O=S(=O)(N[C@@H]1CCCC[C@H]1Sc1nnnn1-c1ccccc1)c1ccc(Cl)cc1 2708602 FAKGIBNWUMBTPK-QZTJIDSGSA-N 449.989 3.698 0 40 IHAB O=C(Nc1ccc(OC(F)F)cc1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 3329723 HEOZQFGVBAARES-UHFFFAOYSA-N 429.400 3.918 0 40 IHAB COC(=O)c1ccc(CSc2nnc(SCc3ccc(C(=O)OC)o3)s2)o1 3395080 GHGTXWUTPYFTED-UHFFFAOYSA-N 426.497 3.882 0 40 IHAB O=C(c1cncnc1)N1C[C@@H]2C[C@H](C1)c1ccc(/C=C/c3ccc(Cl)cc3)c(=O)n1C2 4260410 BJXMZYMKBOSHHL-LOXCNFCFSA-N 432.911 3.722 0 40 IHAB biogenic,in-vitro O=C1CCN(C(=O)c2cccc(S(=O)(=O)N(Cc3ccccc3)c3ccccc3)c2)CC1 8744965 HNKHGWNFZXWXRH-UHFFFAOYSA-N 448.544 3.887 0 40 IHAB CN(C(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 8855756 UPJTYQCJEBXYQJ-IBGZPJMESA-N 443.956 3.511 0 40 IHAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)OCCCCN1C(=O)c2ccccc2C1=O 9129636 MMAUUBQKCUBGBZ-UHFFFAOYSA-N 445.397 3.675 0 40 IHAB COc1ccc(OC)c([C@@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)NCc2ccccc2)c1 9159748 KCWWJCGIVTXAJS-RCXJIHSJSA-N 438.568 3.688 0 40 IHAB CCN1C(=O)C(C)(C)COc2ccc(NS(=O)(=O)c3cc(C)c(C)cc3OC)cc21 9170663 MEBGUVNMZHZVFN-UHFFFAOYSA-N 432.542 3.884 0 40 IHAB O=C(Nc1ncc(Cc2ccccc2)s1)c1ccc(S(=O)(=O)N2CCCC2)cc1 9222518 BPDGQJZXKZKAEB-UHFFFAOYSA-N 427.551 3.771 0 40 IHAB CSc1cccc(NC(=O)CSc2nnc([C@@H](C)NC(=O)c3ccccc3)n2C)c1 9305129 INBXFHJLJITJFJ-CQSZACIVSA-N 441.582 3.759 0 40 IHAB CCn1c(SCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)nnc1-c1ccco1 9463650 SWAYFAXXIIVYBH-INIZCTEOSA-N 440.525 3.785 0 40 IHAB O=C(CSC1=NS(=O)(=O)c2cc(F)ccc2N1)Nc1ccccc1C(F)(F)F 9761995 WJZUDNKJCAZMDA-UHFFFAOYSA-N 433.408 3.687 0 40 IHAB CC1(C)Cc2cccc(OCC(=O)OCc3cc(=O)n4c(n3)sc3ccccc34)c2O1 9961444 HTSDWQXUOQQFGZ-UHFFFAOYSA-N 436.489 3.745 0 40 IHAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCCCN2CCC(C)CC2)ccc1C 10112521 XOGRHNWTJNVYJE-UHFFFAOYSA-N 443.613 3.956 0 40 IHAB COc1ccc(-c2ccc(SCC(=O)Nc3ccc4c(c3)OCO4)nn2)cc1OC 10452287 SVRNTUJVDFFSSW-UHFFFAOYSA-N 425.466 3.620 0 40 IHAB NC(=O)CCCCCn1c(SCC(=O)c2ccc(F)cc2)nc2ccccc2c1=O 10606146 LUGBNEAXNQZXRM-UHFFFAOYSA-N 427.501 3.556 0 40 IHAB CCOC(=O)c1sc(NC(=O)CS(=O)(=O)Cc2ccccc2)nc1-c1ccccc1 10619018 WTKMABFRXKWLJT-UHFFFAOYSA-N 444.534 3.540 0 40 IHAB COC(=O)c1ccc(C)c(NC(=O)COC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)c1 11493562 IDPNEDQEZLUSIZ-UHFFFAOYSA-N 427.844 3.621 0 40 IHAB COC(=O)C1=C(C)N(c2ccc(C)c(F)c2)C(=S)N[C@H]1c1cc(OC)c(O)c(OC)c1 11559457 BWXHSOZHEAFZDQ-IBGZPJMESA-N 446.500 3.740 0 40 IHAB CCOc1ccc(CN2CCC[C@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)cc1OC 12182122 GUMSRHAIURXJMJ-TXPKVOOTSA-N 439.482 3.885 0 40 IHAB COc1cc([C@@H]2CC(=O)c3cnc(N4C[C@@H](C)C[C@@H](C)C4)nc3C2)cc(OC)c1OC 12407530 GVWJAGGCRKUJBW-XHSDSOJGSA-N 425.529 3.897 0 40 IHAB CCOC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccccc1Br 12412792 VYDLOZBTNDMRLA-OAHLLOKOSA-N 442.265 3.813 0 40 IHAB biogenic,in-vitro CCCCn1c(-c2ccc(Br)cc2F)nc2c1c(=O)[nH]c(=O)n2CC(C)C 12485924 OLYNGYUFADNEJM-UHFFFAOYSA-N 437.313 3.911 0 40 IHAB O=C(NCCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc(Cl)cc1 12515858 VCIWPWYMJZWWBO-UHFFFAOYSA-N 439.865 3.828 0 40 IHAB COc1ccc(-c2n[nH]c(=S)n2CC(=O)N2CCN(c3ccccc3Cl)CC2)cc1 12561273 CDDIEKWFJARSBK-UHFFFAOYSA-N 443.960 3.618 0 40 IHAB CN(Cc1ccccc1Br)Cn1nc2n(C)c(=O)c3ccccc3n2c1=S 12563809 GLRONJKCHKWMQD-UHFFFAOYSA-N 444.358 3.569 0 40 IHAB COc1ccc(Cl)cc1NCC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 12813024 LFRGKQIRYXMVQG-UHFFFAOYSA-N 425.798 3.999 0 40 IHAB Cc1c(C(=O)N2CCN(CC(=O)Nc3cccc(F)c3)CC2)oc2c(Cl)cccc12 12871367 VXPBYAGBBKQUHI-UHFFFAOYSA-N 429.879 3.930 0 40 IHAB COCCN(CC(=O)N1CC=C(c2ccccc2)CC1)Cc1nnc(-c2cccs2)o1 12936175 OSBFKNAMQDVWAQ-UHFFFAOYSA-N 438.553 3.562 0 40 IHAB O=C(c1csc(COc2ccc(F)cc2)n1)N1CCN(Cc2ccccc2F)CC1 13011266 LBKUCRIMAYGETQ-UHFFFAOYSA-N 429.492 3.958 0 40 IHAB CCC(C)(C)n1nnnc1[C@H](c1ccc(OC)cc1)N1CCN(c2ccc(F)cc2)CC1 13504135 ATZYZEORTWXZEP-QFIPXVFZSA-N 438.551 3.878 0 40 IHAB COc1ccc(N2C[C@@H](c3nnc(NC(=O)c4ccccc4Cl)s3)CC2=O)cc1 13944252 SWICCIIEHPSMDC-LBPRGKRZSA-N 428.901 3.973 0 40 IHAB CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(COC(=O)c2nccnc2N)cs1 14059935 HOEISWIBOAGCDM-UHFFFAOYSA-N 437.403 3.576 0 40 IHAB CN(C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1)c1ccccc1 14206006 DNCMVQABBJLCCU-HNNXBMFYSA-N 437.359 3.513 0 40 IHAB CN(Cn1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)c1=S)[C@@H]1CCS(=O)(=O)C1 14285536 BXVOXRGKFYHMPO-GOSISDBHSA-N 449.001 3.800 0 40 IHAB O=C(c1ccc(Br)cc1)N1CCN(c2ccc(N3CCCCCC3)nn2)CC1 16689888 ORHNUUUEJBLSCN-UHFFFAOYSA-N 444.377 3.582 0 40 IHAB COc1ccc(OC)c(/C=c2\sc3nc(/C=C/c4ccc(Cl)cc4)nn3c2=O)c1 16735168 FNBIQOWTSCNFNM-ORWCDEBVSA-N 425.897 3.540 0 40 IHAB O=C(NCc1ccc(CO)cc1)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 19372577 GXJXDWCSGGZBSR-JWQCQUIFSA-N 446.522 3.565 0 40 IHAB C[C@@H]1C[C@H]1C(=O)N1CCC(c2cc3nc4c(c(O)n3n2)CN(C[C@H]2CC=CCC2)CC4)CC1 19462902 HKGCNPDTZSDSCW-WSTZPKSXSA-N 449.599 3.511 0 40 IHAB CCN1CCN(C(=O)c2cccc(OC)c2)C[C@@H](Cc2cccc(-c3ccncc3)c2)C1=O 19527586 KCUPIXXKKBWXCP-XMMPIXPASA-N 443.547 3.920 0 40 IHAB CSCC[C@H](NC(=O)c1c(C)n(C)c2ccccc12)c1cc(=O)[nH]c(-c2cccnc2)n1 19581770 RAJIVAHMJYPPJR-SFHVURJKSA-N 447.564 3.856 0 40 IHAB Cc1nc(C2CCN(Cc3ncc[nH]3)CC2)nc2c1CCC(=O)N2Cc1cccc(F)c1 19739294 JTUAHTZKLLNZRP-UHFFFAOYSA-N 434.519 3.506 0 40 IHAB Cc1nc(CC(=O)N2CCC[C@H](c3ccc4c(N)nc(-c5ccccc5)nc4n3)C2)cs1 19743380 CHTLWXJSQHFVND-KRWDZBQOSA-N 444.564 3.988 0 40 IHAB CCn1cc(CN2CCO[C@@H](c3cc(C(=O)Nc4nccs4)c4ccccc4n3)C2)cn1 19762915 SUNBMFQSAOOOJE-OAQYLSRUSA-N 448.552 3.734 0 40 IHAB Cc1nc(C2CCN(C(=O)COc3ccccc3)CC2)ncc1C(=O)Nc1ccccc1 19764229 KHBDWMIOTGYJIX-UHFFFAOYSA-N 430.508 3.822 0 40 IHAB COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2)cc1Cl 20006067 MRAARUNHRGVCIU-HXUWFJFHSA-N 444.940 3.877 0 40 IHAB O=C(NCc1ccccc1Cl)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 20007643 RZHOUOPIFUWEGB-OAQYLSRUSA-N 446.931 3.685 0 40 IHAB CCN(CC(=O)Nc1ccc2sc(C(=O)OC)cc2c1)S(=O)(=O)c1ccc(C)cc1 20014048 HXYMQWKGJUFIIU-UHFFFAOYSA-N 446.550 3.646 0 40 IHAB CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3cccnc3)cc2)cc1 20062821 DKISIFWICMNLBH-UHFFFAOYSA-N 427.551 3.559 0 40 IHAB O=C1N[C@@]2(CCc3ccccc32)C(=O)N1CC(=O)N(Cc1ccccc1)c1ccccc1 22059476 TZDFZSQTZPJONX-AREMUKBSSA-N 425.488 3.613 0 40 IHAB Cc1nn(Cc2ccccc2)c2sc(C(=O)NC[C@H]3CN(CC(C)C)CCO3)cc12 22764151 CTFPIFIOLNGROH-IBGZPJMESA-N 426.586 3.541 0 40 IHAB C[C@@H]1Oc2ccc(NC(=O)c3cc(=O)c4ccc(Br)cc4o3)cc2NC1=O 28293750 XWPIKQLRZWCJLU-VIFPVBQESA-N 429.226 3.527 0 40 IHAB COCCCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2OC)n2c1nc1ccccc12 32581139 CPAHTPLXOBNYDA-GOSISDBHSA-N 442.903 3.651 0 40 IHAB CC(=O)c1cccc(N2C(SCc3cccc(Cl)c3)=N[C@@H]3CS(=O)(=O)C[C@@H]32)c1 32640981 ORAWHSRMVDWCLM-MOPGFXCFSA-N 434.970 3.818 0 40 IHAB Cc1ccc(C(N)=O)c(OS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 32869626 IHSXHQWJOOSVHX-UHFFFAOYSA-N 427.322 3.899 0 40 IHAB Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 32898809 IDWOLISWPYYATQ-UHFFFAOYSA-N 429.565 3.641 0 40 IHAB COc1cccc(NC(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2C)c1 33389319 GZDQLZFSDRUCMT-UHFFFAOYSA-N 432.542 3.632 0 40 IHAB CCc1ccc(NC(=O)CSc2nnc([C@H](C)NC(=O)c3ccccc3F)n2C)cc1 33652547 VZAJNPYWPKBPGM-AWEZNQCLSA-N 441.532 3.738 0 40 IHAB Cc1ccccc1NC(=O)Cn1nc2c(Oc3ccccc3)nc3ccccc3n2c1=O 35425029 OTTKQXSLMPODMW-UHFFFAOYSA-N 425.448 3.784 0 40 IHAB COc1ccc(C)cc1NC(=O)NCCNC(=O)c1ccc(NC(=O)C2CCCC2)cc1 35595049 POIPWZMITMKOMM-UHFFFAOYSA-N 438.528 3.684 0 40 IHAB COc1ccc(Cc2nnc(C3CCN(S(=O)(=O)c4ccccc4)CC3)s2)cc1 35597016 DHTFRLXYDGHCHF-UHFFFAOYSA-N 429.567 3.706 0 40 IHAB COCn1nc(C)c(NC(=O)c2cc(-c3ccc(OC)cc3)nc3c2c(C)nn3C)c1C 36616853 MWYQIDMRCVHWNO-UHFFFAOYSA-N 434.500 3.622 0 40 IHAB COc1ccccc1Nc1nc2ncc3c(c2c(=O)[nH]1)C[C@@H](c1ccccc1O)CC3=O 40372909 XXOYFPRYCSAEGB-CYBMUJFWSA-N 428.448 3.689 0 40 IHAB COc1ccc(CNC(=O)CCn2nc(-c3ccc(C(C)C)cc3)ccc2=O)cc1OC 41255216 DDLKBDZYDSYVLE-UHFFFAOYSA-N 435.524 3.757 0 40 IHAB COc1ccc(CNC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)cc1 44791953 FLYFFEYSGZWLDB-UHFFFAOYSA-N 438.549 3.824 0 40 IHAB Cc1ccc([C@@H](NC(=O)CN(c2ccccc2F)S(C)(=O)=O)c2ccccc2)cc1 44900418 MRQAPWTZXRTSQP-QHCPKHFHSA-N 426.513 3.806 0 40 IHAB Cc1cccc(Nc2nc(N)nc(CN3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)c1 54147117 JKDZGMAFBVSZKF-UHFFFAOYSA-N 443.477 3.847 0 40 IHAB O=C(CSc1nc2ccccc2s1)Nc1cccc(C(=O)N2CCC(CO)CC2)c1 60380599 NHTVMBKZCOUZOK-UHFFFAOYSA-N 441.578 3.872 0 40 IHAB COc1cc(OC)c(NC(=O)N2CCC(CN3C[C@H](C)O[C@H](C)C3)CC2)cc1Cl 65566504 SMNAMPKCTASXSY-GASCZTMLSA-N 425.957 3.710 0 40 IHAB COc1cc2c(cc1CN1CCC[C@@H](c3ccc(Nc4cnccn4)cn3)C1)OCCO2 72353461 BUSPTUGPFFAAFU-QGZVFWFLSA-N 433.512 3.775 0 40 IHAB COc1ccc(-c2cc(-c3cccnc3)n(CCNC(=O)[C@H]3CCC[C@@H](OC)C3)n2)cc1 72390440 MYNTVJXDICBLAQ-SIKLNZKXSA-N 434.540 3.942 0 40 IHAB C[C@@H](OC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Br)c1cccnc1 89910067 KAZYHXBWMUIHFW-GFCCVEGCSA-N 441.347 3.839 0 40 IHAB COc1cc(OC)c(NC(=O)NCCNc2cc(Nc3ccccn3)ncn2)cc1Cl 90607979 GBCPWGILGCANSY-UHFFFAOYSA-N 443.895 3.519 0 40 IHAB COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)N[C@@H]1CCOC(C)(C)C1)C(=O)OC2 96114951 GNVNPMSQXFIVMN-QHDPKREISA-N 431.529 3.722 0 40 IHAB biogenic Cc1cc(=O)oc2cc(OCC(=O)NCCCc3nc4ccccc4[nH]3)c(Cl)cc12 96118904 VRLAFUHDSHIJNN-UHFFFAOYSA-N 425.872 3.759 0 40 IHAB COc1ccc(NC(C)=O)cc1NC(=O)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 97994316 KLZLWEYMTDZWFN-XSFVSMFZSA-N 444.451 3.537 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)c2ccccc2)cc1 100624524 SHDNQLRHMXRFRM-JBYIUTFZSA-N 428.554 3.585 0 40 IHAB COc1cccc2c1O[C@@]1(C)C[C@H]2[C@H](S(=O)(=O)c2ccc(C(C)(C)C)cc2)C(=O)N1 100893735 XOEQTQOCTHJMCX-MONBJTKQSA-N 429.538 3.547 0 40 IHAB CCn1c(Cc2ccc3c(c2)OCCCO3)nnc1SCC(=O)Nc1ccccc1F 101160546 VYLBGMGVIPTLSV-UHFFFAOYSA-N 442.516 3.920 0 40 IHAB CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)Nc2ccc(CN3CCOCC3)cc2)CC1 101533739 OMUZXQFRLHAOCN-PUZFROQSSA-N 431.577 3.788 0 40 IHAB CC(=O)c1ccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@H]6C[C@H]56)[C@H]4C3=O)c2)cc1 102084154 MZFGGOPQZTWAAX-RCQJKQRMSA-N 426.472 3.699 0 40 IHAB Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@]4(C(=O)Nc5c4ccc(Cl)c5C)[C@H]3C2=O)cc1C 107177046 FONMBQOIDBZWCY-OZAHESQGSA-N 449.938 3.696 0 40 IHAB CCOC(=O)c1c(N2C(=O)C[C@@H](Sc3cccc(N)c3)C2=O)sc2c1CCCC2 113509758 NFWJILBPWGIGIL-MRXNPFEDSA-N 430.551 3.810 0 40 IHAB O=C(COC(=O)c1cccnc1S[C@@H]1CC(=O)N(c2ccccc2)C1=O)c1ccccc1 113640069 OJEZZISCWMJGFV-HXUWFJFHSA-N 446.484 3.546 0 40 IHAB CC(=O)c1ccc(N2CCN(C(=O)CSC(=S)N3[C@H](C)CCC[C@H]3C)CC2)cc1 215754348 DFFXWCRKAUSMKX-IAGOWNOFSA-N 433.643 3.819 0 40 IHAB Cc1ccc(OC[C@@H](C)NC(=O)c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)cc1 220003248 JPKQRPFACULKHE-LJQANCHMSA-N 430.570 3.613 0 40 IHAB Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)N(C)c3ccc(F)cc3)cc2)c1 222692285 SWYQJTKYKQZPRB-UHFFFAOYSA-N 428.485 3.977 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(-c4cccc(F)c4)[nH]n3)C2)cc1 223065391 NCZODWNPCWEVSV-QGZVFWFLSA-N 442.516 3.564 0 40 IHAB COc1cc(C)c([C@H](C)NC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1C(C)C 223340112 WLNGKQGWEGTEBE-AOMKIAJQSA-N 446.569 3.531 0 40 IHAB COc1ccc(OC)c(S(=O)(=O)NCc2nc(-c3ccc(C(C)(C)C)cc3)no2)c1 223621078 LRJPNLXCJRFWQP-UHFFFAOYSA-N 431.514 3.530 0 40 IHAB CS(=O)(=O)N(CC(=O)NCC1CCCCC1)c1ccc(OCc2ccccc2)cc1 223885527 JQZKPASGJPRXLB-UHFFFAOYSA-N 430.570 3.728 0 40 IHAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1OC 225750169 ISKDNLKOQYVTRG-RXVVDRJESA-N 442.556 3.805 0 40 IHAB Cc1nn(C(C)C)c(C)c1CN1CCO[C@@H](c2cccc(-c3ccc(C(N)=O)cc3)n2)C1 257206472 BDPKWYMWWHHGBE-XMMPIXPASA-N 433.556 3.815 0 40 IHAB CCn1nc(C(C)C)cc1C(=O)N1CCC[C@](COc2cccc(Cl)c2)(CC(N)=O)C1 257254155 KBWZZCUAYFIBJW-QHCPKHFHSA-N 446.979 3.857 0 40 IHAB NC(=O)C[C@@]1(COc2cccc(Cl)c2)CCCN(C(=O)CCc2ccccc2F)C1 257317949 VLVRTUGTQSRSHJ-QHCPKHFHSA-N 432.923 3.975 0 40 IHAB Cc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OCC(=O)Nc1ccccc1F 408592708 OCPIASSZRUPAQM-UHFFFAOYSA-N 440.496 3.903 0 40 IHAB COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)NCCC3=CCCCC3)cc2)c1 408593889 QMLQPJPIESOPID-UHFFFAOYSA-N 444.553 3.882 0 40 IHAB CCCOC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2cccc(Cl)c2)cc1 408663881 PJBMGTZPZGDKJD-UHFFFAOYSA-N 446.887 3.807 0 40 IHAB CCC[C@@H](C)NC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccc(C)cc1 409325417 YJJRANQJKJFNPR-QGZVFWFLSA-N 434.558 3.512 0 40 IHAB Nc1c(Br)cc(Br)cc1CNC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 574979465 LOOAPOCHDWQJLU-QQJLWGBUSA-N 430.184 3.967 0 40 IHAB CC(C)(C)OC(=O)N[C@@H]1C[C@@H](Oc2ccccc2F)[C@H](O)[C@H]1N1CCc2ccccc2C1 585261664 OGYHXCOUWDVNQD-LGKPFJOYSA-N 442.531 3.658 0 40 IHAB O=C(CC(F)(F)F)N1CCC2(CC1)Cc1ccccc1CN(Cc1ccncc1)C2=O 1565551815 SHPKRIFSGZMFCH-UHFFFAOYSA-N 431.458 3.728 0 40 IHAB COc1cccc(OC)c1C(=O)N1CCO[C@@H](c2cccc(Nc3ncc(C)s3)n2)C1 2037834452 GFEAKTPPZJDISC-GOSISDBHSA-N 440.525 3.821 0 40 IHAB Cc1cccc(OCC(=O)Nc2sc3c(c2C(=O)NC[C@@H]2CCCO2)CCC3)c1C 1100665 ZVRXCYPAYBYYEL-INIZCTEOSA-N 428.554 3.780 0 40 IHAB COCCNc1nnc(SCc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)s1 3386415 KEWBWBYFRGYBFK-UHFFFAOYSA-N 431.568 3.854 0 40 IHAB CCCn1c(C)cc(C(=O)COC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)c1C 3437693 WAVVGVTWYZHFPO-UHFFFAOYSA-N 434.558 3.585 0 40 IHAB Cn1c(=O)n(C)c2cc(S(=O)(=O)NC[C@@H](c3ccccc3)C3CCCCC3)ccc21 4744114 KITASOGSRUSONG-FQEVSTJZSA-N 427.570 3.519 0 40 IHAB Cc1ccc(C)c(C(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@@H]4C3=O)c2)c1 8449740 PWPNNPPIWDGXOK-TXKCWOHGSA-N 431.488 3.879 0 40 IHAB CCOc1ccccc1NC(=O)C(=O)[C@H](c1ccccc1)S(=O)(=O)Cc1ccccc1 8665112 YZGOBQCGKBQYCL-QHCPKHFHSA-N 437.517 3.949 0 40 IHAB CC(C)C[C@@H](C(=O)NCc1ccco1)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 8789104 BTAGMGMDLICHIS-CPJSRVTESA-N 448.523 3.528 0 40 IHAB biogenic CC(C)(C)[C@H]([C@H](Oc1ccc(Cl)cc1)n1cncn1)n1nnnc1C1(N)CCCCC1 8856706 SQPWJJVBRGREJT-ROUUACIJSA-N 444.971 3.901 0 40 IHAB CC(C)(C)[C@@H]([C@@H](Oc1ccc(Cl)cc1)n1cncn1)n1nnnc1C1(N)CCCCC1 8856708 SQPWJJVBRGREJT-QZTJIDSGSA-N 444.971 3.901 0 40 IHAB O=C(O)c1ccc(OS(=O)(=O)c2cc(Br)ccc2Br)cc1 8882403 JLURQXHQJDCKOU-UHFFFAOYSA-N 436.077 3.678 0 40 IHAB COc1ccc(-c2csc3ncnc(OCC(=O)NC(=O)NCc4ccccc4)c23)cc1 9255650 URTCKYKJVJNUNI-UHFFFAOYSA-N 448.504 3.772 0 40 IHAB COc1ccc(C(=O)OCc2ccc(Cl)cc2Cl)cc1S(=O)(=O)NC1CC1 9257207 JOXNJJGYZZDZFI-UHFFFAOYSA-N 430.309 3.800 0 40 IHAB CCOc1cc(/C=C2/C(=O)N(c3ccc(C)c(C)c3)C(=S)N2C)ccc1OCC(=O)O 9296034 JNDZURXMAQDCNF-WQRHYEAKSA-N 440.521 3.770 0 40 IHAB O=C(NCc1ccc(Cn2cccn2)cc1)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 9388727 HJWDUEDKGMBGBC-SFHVURJKSA-N 442.441 3.620 0 40 IHAB COc1cc([C@H]2CC(=O)c3c([nH]c(C(=O)OCCSC)c3C)C2)cc(OC)c1OC 9559814 WLJWDJWWGNFSFK-CYBMUJFWSA-N 433.526 3.781 0 40 IHAB CCCCc1nnc(NC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)s1 9587557 IBABXNXUIOAOQW-UHFFFAOYSA-N 427.507 3.510 0 40 IHAB CC1=C(C(=O)N(C)C)[C@@H](c2c(F)cccc2F)NC(=S)N1c1ccc2c(c1)OCCO2 9793595 DGGWHYRETDCXDC-FQEVSTJZSA-N 445.491 3.534 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](C)Oc2cccc3cccnc23)ccc1C 9812572 CXPGATYNUUMFOB-KRWDZBQOSA-N 441.553 3.980 0 40 IHAB COc1ccc(S(=O)(=O)Nc2nc(CC(=O)Nc3cccc(Cl)c3)cs2)cc1 9828648 WQCOLFDABCZRSE-UHFFFAOYSA-N 437.930 3.787 0 40 IHAB COc1cccc(NC(=O)CSc2nc(=O)n(Cc3cccs3)c3c2CCC3)c1 10186703 MXYFAANGAUMHRU-UHFFFAOYSA-N 427.551 3.581 0 40 IHAB Cc1ccc(C(C)C)cc1OCC(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C 12552602 PAHKSGYCCHNWTM-GOSISDBHSA-N 437.540 3.720 0 40 IHAB COc1ccc(CCC(=O)Nc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)cc1 12630307 DCQJHIMLOHZRPT-UHFFFAOYSA-N 431.539 3.762 0 40 IHAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C/C(=O)NC[C@H]1COc2ccccc2O1 12637905 BXRBAAQXMZCHGF-DVQDXYAYSA-N 427.863 3.943 0 40 IHAB O=C(CN(c1cccc(F)c1)S(=O)(=O)c1ccccc1)NCCc1ccc(F)cc1 12821940 NUWXTGATYPIQFE-UHFFFAOYSA-N 430.476 3.519 0 40 IHAB Cc1nc(C)c(-c2nn(CN3CCC(C(=O)NCc4ccccc4)CC3)c(=S)o2)s1 12862531 OJVJYBLYQWQWRP-UHFFFAOYSA-N 443.598 3.932 0 40 IHAB COc1ccc(CCC(=O)N2CCN(C)c3nc4ccccc4nc32)cc1Br 12901721 WTPRFBMCYMMVCK-UHFFFAOYSA-N 441.329 3.817 0 40 IHAB C[C@@H](Sc1nnc([C@@H](C)Oc2ccc(F)cc2)o1)C(=O)NCc1ccc2c(c1)OCO2 13121443 QIPWWGMFDTYGJO-CHWSQXEVSA-N 445.472 3.874 0 40 IHAB Cc1ccccc1SCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 13137118 XRRWIKKDDZXNFX-UHFFFAOYSA-N 440.590 3.773 0 40 IHAB COC(=O)[C@@H]1C(=O)[C@]2(Cc3c(ccc4ccccc34)N(COC(C)C)C2)C(=O)CC1(C)C 14945135 AEABKFZWZJSDJK-NVQXNPDNSA-N 437.536 3.929 0 40 IHAB COC(=O)c1ccccc1NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 15398075 UAWKBEFLDGWSPS-UHFFFAOYSA-N 438.505 3.616 0 40 IHAB CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1cc(=O)[nH]c2ccccc12 15968074 WKYNVNUKPUMUFX-UHFFFAOYSA-N 437.805 3.911 0 40 IHAB CCOC(=O)c1c(C)[nH]c(C(=O)O[C@H](C(=O)Nc2cc(C)on2)c2ccccc2)c1C 16765167 GFKHCUMOJHFXLD-IBGZPJMESA-N 425.441 3.641 0 40 IHAB CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)[C@@H]3COc4ccc(Cl)cc4C3)ccc21 16810315 JPEBDPXKDBSBJT-ACJLOTCBSA-N 427.884 3.615 0 40 IHAB CN1C(=O)N(C)C(=O)C2(Cc3ccc(Cl)cc3N3CC[C@H](c4ccccc4)C[C@@H]32)C1=O 16957227 TYEXNKPJGRQRIV-OXJNMPFZSA-N 437.927 3.686 0 40 IHAB CCC(=O)Nc1ccc(NC(=S)NC(=O)c2c(F)c(F)c(OC)c(F)c2F)cc1 17096386 YJNCPWLFRNUXMW-UHFFFAOYSA-N 429.395 3.727 0 40 IHAB CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(CC)cc3)cc2)CC1 17102714 GUZRDKMASFCBOI-UHFFFAOYSA-N 438.597 3.825 0 40 IHAB NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1 17125663 SVRAMGCLSLEIET-UHFFFAOYSA-N 438.427 3.585 0 40 IHAB CCCC(=O)N1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C(C)(C)C)C4)CC1 19501451 PRUZMBJBXRPAGV-HNNXBMFYSA-N 430.618 3.580 0 40 IHAB Cc1nc(C)c(C(=O)N2CCO[C@H](c3nc(N(C)C)ncc3-c3cccc(F)c3)C2)s1 19692814 KFSADQHQGXGYFC-SFHVURJKSA-N 441.532 3.636 0 40 IHAB Cc1cnc(C(=O)N2CCC(c3nc(N(C)C)ncc3-c3cccc(Cl)c3)CC2)cn1 19695118 COZHIAOFECZQET-UHFFFAOYSA-N 436.947 3.981 0 40 IHAB COc1ccc(CC(=O)N2CCC(Cc3ccccc3-c3cccnc3)(C(N)=O)CC2)cc1 19700260 XRLSFHUQLCHUFV-UHFFFAOYSA-N 443.547 3.637 0 40 IHAB COc1cccc(CN2CCCc3c(C)nc([C@@H]4CCCN(Cc5cnn(C)c5)C4)nc32)c1 19706943 ZGOWCZHACFASSJ-JOCHJYFZSA-N 446.599 3.860 0 40 IHAB Cc1cc(C)nc(N2CCO[C@H](c3cc(C(=O)Nc4nccs4)c4ccccc4n3)C2)n1 19759375 QMBQAPLMLNGSLZ-FQEVSTJZSA-N 446.536 3.928 0 40 IHAB COc1ccc(NC(=O)c2cnc([C@H]3CCN(C(=O)Cc4ccccc4)C3)nc2C)cc1 19766068 ZLCHRKWNAMFMRA-IBGZPJMESA-N 430.508 3.605 0 40 IHAB O=C(N[C@@H]1CCCc2ccccc21)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 19931106 SPZKBMNDRCJKFB-DNQXCXABSA-N 434.561 3.770 0 40 IHAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccc(SC)cc2)cc1C 20015165 DDZJEHROBPIIKB-INIZCTEOSA-N 436.599 3.614 0 40 IHAB COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1Cc1nc(-c2ccc(F)cc2)no1 20945536 LWPWIQGMWCQIPO-GOSISDBHSA-N 441.459 3.555 0 40 IHAB COC(=O)c1c(NC(=O)CNC[C@H](c2ccccc2)N(C)C)sc2c1CCCCC2 22031706 GPUBHXOUQPYVLC-GOSISDBHSA-N 429.586 3.635 0 40 IHAB Cc1nc2sc([C@@H](c3cccc(Br)c3)N3C[C@@H](C)O[C@H](C)C3)c(O)n2n1 22626700 JCKYSIBHMXJEEI-UEKVPHQBSA-N 437.363 3.766 0 40 IHAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CCN(Cc2cccc3ccccc23)CC1 22786840 HFJCJAQVBAABFY-HXUWFJFHSA-N 442.563 3.721 0 40 IHAB CCC(=O)N(c1nnc(S[C@@H](C)C(=O)c2[nH]c(C)c(C(=O)OC)c2C)s1)C1CC1 23329246 FHCLPNLLBHGEBN-NSHDSACASA-N 436.559 3.539 0 40 IHAB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)NCC1(N2CCOCC2)CCCCC1 23736089 ZZYQLANOQAYZLR-DEOSSOPVSA-N 449.595 3.699 0 40 IHAB Cc1cc(C)c(S(=O)(=O)N2CCN(Cc3ncc(-c4ccccc4)o3)CC2)c(C)c1 23907603 HMJRBNBCGVIFPH-UHFFFAOYSA-N 425.554 3.773 0 40 IHAB Cc1nn(CC(C)C)c2sc(C(=O)NCc3ccccc3CN3CCOCC3)cc12 23908094 XIGCYWJXOVBDTN-UHFFFAOYSA-N 426.586 3.824 0 40 IHAB O=S1(=O)c2cccc3cccc(c23)N1C[C@@H](O)COc1ccc(Br)cc1 24085386 KWNXKHGQJVBBFS-OAHLLOKOSA-N 434.311 3.551 0 40 IHAB CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@H](c1cccs1)N(C)C 27674746 MXODSKFZFFGHJB-DLBZAZTESA-N 440.034 3.672 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)n(C)c1 28729755 SROWJMGGIYXPOR-INIZCTEOSA-N 442.006 3.676 0 40 IHAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)SCc3ccccc3)cc2)n1 30855532 SFIPBVTZTUCDCQ-INIZCTEOSA-N 442.566 3.846 0 40 IHAB Cc1cc(OCC(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)ccc1C(C)C 32859793 XNEKNXIUSGPEKB-GOSISDBHSA-N 437.540 3.720 0 40 IHAB C[C@]1(c2ccccc2C(F)(F)F)NC(=O)N(CC(=O)Nc2cccc(Cl)c2)C1=O 40116675 IPTHYAQDAMPTGM-GOSISDBHSA-N 425.794 3.765 0 40 IHAB Cc1ccc(Cn2c(=O)c3ccccc3n(CC(=O)Nc3ccccc3Cl)c2=O)cc1 40478439 MLCHHHDWWJNQMG-UHFFFAOYSA-N 433.895 3.812 0 40 IHAB Cc1ccc(C)c(Sc2cc(N3CCC(C(=O)NC[C@H]4CCCO4)CC3)ncn2)c1 49402025 VHUREYKDJKUHEQ-LJQANCHMSA-N 426.586 3.756 0 40 IHAB CCc1cccc(-n2cc(C(=O)N3CCC(NC(=O)c4cccc(Cl)c4)CC3)nn2)c1 49406436 YZKNNAFPQVCVQY-UHFFFAOYSA-N 437.931 3.518 0 40 IHAB CC(C)(C)C(=O)N1CCN(c2ccc(NC(=S)NC(=O)/C=C/c3ccco3)cc2)CC1 57316495 VZSYLLZDHDOYFS-ZHACJKMWSA-N 440.569 3.501 0 40 IHAB COc1ccc(NC(=O)CSC2=NN(C)CC(Oc3ccc(Cl)cc3)=N2)cc1OC 57401756 ZRYIXHBXXRNZNL-UHFFFAOYSA-N 448.932 3.723 0 40 IHAB CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1ccc(NC(C)=O)cc1 59099172 DKKQRCRPXGAEQA-UHFFFAOYSA-N 425.514 3.663 0 40 IHAB O=C(c1cnc2ccc(Cl)cc2c1N1CCN(c2ccccc2)CC1)N1CCOCC1 67288050 OGJPWHMBGKGFEY-UHFFFAOYSA-N 436.943 3.687 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H]2CCCN2Cc2ccccc2)ccc1C 72034235 RSTZCAZIEXRNCK-OAQYLSRUSA-N 429.586 3.629 0 40 IHAB Cn1ccnc1[C@@]1(O)CCCN(c2ncc(-c3ccsc3)c(-c3nccs3)n2)CC1 72396674 HIMVBVMXGIXOBT-OAQYLSRUSA-N 438.582 3.940 0 40 IHAB O=C(c1cncc(Br)c1)N1CCN(c2nc(-c3ccsc3)cs2)CC1 96099889 IDGFBVUFXHUADD-UHFFFAOYSA-N 435.372 3.992 0 40 IHAB FC(F)(F)c1cnc(N2CCN(Cn3nc4n(c3=S)CCCCC4)CC2)c(Cl)c1 96316704 IWCWPBZHCVDYAE-UHFFFAOYSA-N 446.930 3.987 0 40 IHAB COc1cccc([C@@H](c2sc3nc(C)nn3c2O)N2CCN(Cc3ccccc3)CC2)c1 96809894 FCCYRMKMOAQZQP-NRFANRHFSA-N 449.580 3.721 0 40 IHAB COc1ccc(C(c2c(O)c3ccccc3[nH]c2=O)c2c(O)c3ccccc3[nH]c2=O)cc1 101319140 QPCXQDCMERXAHH-UHFFFAOYSA-N 440.455 3.970 0 40 IHAB COc1ccc(NC(=O)CC(C)(C)CC(=O)N2CCN(c3ccccc3OC)CC2)cc1 199423326 AOCMZYSUGXJGJP-UHFFFAOYSA-N 439.556 3.798 0 40 IHAB O=C(N[C@H]1CCCc2ccccc21)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 216357632 DRUWWRWIVCOVMU-UPVQGACJSA-N 440.609 3.855 0 40 IHAB CC[C@H](C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)N(c1ccc(C)cc1)S(C)(=O)=O 219100956 CDIJXWVVPFFDEC-WOJBJXKFSA-N 430.570 3.958 0 40 IHAB CC[C@@H](C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)N(c1ccc(OC)cc1)S(C)(=O)=O 220655802 CCNGSPFJGHEHSL-UXHICEINSA-N 446.569 3.658 0 40 IHAB CC(C)C(=O)Nc1nnc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)s1 222557299 FCZJIBQPTOEHBI-UHFFFAOYSA-N 428.845 3.606 0 40 IHAB CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccc(C)cc1C 223080921 XITBKQFQBJHGRP-QGZVFWFLSA-N 447.373 3.998 0 40 IHAB CCn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(NC(=O)COC)c(C)c1 225282649 VOCMVIHPOUFYLW-PKTZIBPZSA-N 449.580 3.973 0 40 IHAB CCOc1ccccc1CCCNC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 225477930 RNPDCQFWQPANHQ-UHFFFAOYSA-N 444.597 3.543 0 40 IHAB COC(=O)Nc1ccc(S(=O)(=O)NCC2(c3ccc([C@H](C)O)s3)CCCC2)cc1 225684474 AMVZUXNTBJHTEM-AWEZNQCLSA-N 438.571 3.770 0 40 IHAB Cc1ccn2c(CN3CCO[C@@H](c4cccc(-c5ccc(C(N)=O)cc5)n4)C3)c(C)nc2c1 257244941 INKIBFCMRVKBKM-XMMPIXPASA-N 441.535 3.686 0 40 IHAB COc1cccc2c1OC(C)(C)[C@H]1C[C@@H]3[C@H](CCN3C(=O)CC(C)(C)CC(=O)O)O[C@H]21 257247324 IYLXPHMKPSMXIB-GRXQJBFDSA-N 431.529 3.804 0 40 IHAB COc1cc2c(cc1CN1CCO[C@@H](c3cccc(Nc4cc(C)n(C)n4)n3)C1)CCC2 257251812 JSIRLUPMWHHOAR-HSZRJFAPSA-N 433.556 3.938 0 40 IHAB CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1ncccc1O 257263152 LOQHDEWOVCVKJG-QWIRGBKCSA-N 433.552 3.793 0 40 IHAB Cc1ccc([C@H](C)C(=O)N2CCC[C@@H](c3nc(C)c(CC(=O)NC4CC4)c(C)n3)C2)cc1 257273308 NGBOSVDHUBFACE-LAUBAEHRSA-N 434.584 3.733 0 40 IHAB CCOc1ccc(N([C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)cc1 260897437 LVZBSHQLTMOTLP-GOSISDBHSA-N 445.585 3.869 0 40 IHAB C[C@H](NC(=O)CSc1nnc(-c2cc(Br)ccc2O)n1C)c1ccccc1 408540974 AHSJMIQDZMHNLB-LBPRGKRZSA-N 447.358 3.920 0 40 IHAB O=C(O)CC[C@H](c1ccccc1)N1CCN(C(=O)c2ccccc2Br)CC1 408607305 KSOVMRQQIPBYLS-LJQANCHMSA-N 431.330 3.813 0 40 IHAB CC(C)NC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 408615033 LBRBLQXHXRNNNG-CQSZACIVSA-N 433.430 3.835 0 40 IHAB Cc1cc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c(C)cc1Br 408647049 SBSWQARHYLIZMO-HNNXBMFYSA-N 445.313 3.601 0 40 IHAB Cc1ccc(CN(CC(=O)Nc2ccc3c(c2)OCO3)S(=O)(=O)c2ccccc2)cc1 409004235 OTHONQPSMMPVLE-UHFFFAOYSA-N 438.505 3.553 0 40 IHAB Cc1ccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3cc(C)ccc3C)n2C)cc1 409124450 HSNAYSFIHKGTNU-KRWDZBQOSA-N 437.569 3.962 0 40 IHAB Cc1ccc(N2C(=O)[C@@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)C2=O)cc1C 409273966 AVRHXWNKWJMCNU-VXKWHMMOSA-N 443.455 3.628 0 40 IHAB COc1ccc(S(=O)(=O)C[C@H](C)C(=O)N(Cc2ccc(O)cc2)Cc2ccco2)cc1 502554569 RGJIYULETUBIJI-KRWDZBQOSA-N 443.521 3.633 0 40 IHAB CCn1nccc1/C=C\C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cccc(F)c1 585079872 SFDTWHYIOGRSOY-GDCKJWNLSA-N 428.508 3.876 0 40 IHAB CC(C)C(=O)N1CCCCCCCNCc2cc(C(=O)N3CCC[C@H](CO)C3)ccc21 643584297 ZCQFAMNXAXDWSZ-FQEVSTJZSA-N 429.605 3.574 0 40 IHAB Cc1nnnn1-c1ccc(C(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)OC[C@H]2C)c(F)c1 1523264291 IXILALRMYCLNBF-BLVKFPJESA-N 449.408 3.731 0 40 IHAB COc1ccc2c(c1)O[C@@](C)(CCC(=O)O)[C@H]1CC3(CO[C@H]21)CN(C(=O)CC(C)C)C3 2037872759 LKCJJZWIXBHPAO-NMNUPHIUSA-N 431.529 3.663 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cc(F)c(F)c(F)c1F 947139 BEQQUJWDVPKTFR-UHFFFAOYSA-N 431.392 3.753 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)cc1 1104718 NIJUBBMSBJLWFW-QHCPKHFHSA-N 440.609 3.877 0 40 IHAB Cc1ccc2cc(CN(Cc3nnnn3Cc3ccc(F)cc3)C3CCCC3)c(=O)[nH]c2c1 1372963 SQCGTLIFWUTBBK-UHFFFAOYSA-N 446.530 3.955 0 40 IHAB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OC(C)C)c(OC)c2)N1C(C)=O 2087727 ROVKXANRMCNNOH-GBXCKJPGSA-N 436.508 3.999 0 40 IHAB biogenic COc1cccc(-c2nnc(SCc3nc(N)nc(Nc4ccccc4C)n3)n2C)c1 2629622 QXTCFILVSXVAOP-UHFFFAOYSA-N 434.529 3.602 0 40 IHAB O=C(COC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)Nc1ccccc1Cl 3289051 RGJFMJFFWWMTCX-UHFFFAOYSA-N 433.851 3.835 0 40 IHAB O=C1COc2ccc(C(=O)COC(=O)c3cc(-c4ccco4)nc4ccccc34)cc2N1 3325714 QOPMCBVNMKJROB-UHFFFAOYSA-N 428.400 3.865 0 40 IHAB CN(Cc1cccs1)C(=O)CSc1nc2ccccc2c(=O)n1Cc1ccco1 3452291 YDSFUXCKAMRLNM-UHFFFAOYSA-N 425.535 3.850 0 40 IHAB COc1ccc(NC(=O)Cn2nnc3sc(-c4ccccc4)cc3c2=O)cc1Cl 6166751 PZJKIHQNSAEJNN-UHFFFAOYSA-N 426.885 3.821 0 40 IHAB CCOC(=O)c1c(NC(=O)CS(=O)(=O)c2ccc(C)cc2)sc2c1CC[C@H](C)C2 8601631 DVPMQGLYARVYKW-AWEZNQCLSA-N 435.567 3.770 0 40 IHAB aggregator COC(=O)C1=C(C)N=c2s/c(=C/C=C/c3ccccc3)c(=O)n2[C@H]1/C=C/c1ccccc1 8809466 KTENBXQFCAFJKA-OAPHXJCRSA-N 442.540 3.738 0 40 IHAB CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1Nc1ccc(S(N)(=O)=O)cc1 8871971 UBOFENYZVTWUJH-UHFFFAOYSA-N 439.415 3.821 0 40 IHAB COc1ccccc1NC(=O)c1nc(S(=O)(=O)Cc2ccc(F)cc2)ncc1Cl 8916987 ZKWMOSGRWJVMEA-UHFFFAOYSA-N 435.864 3.504 0 40 IHAB CSCC[C@H](NC(=O)c1ccccc1)C(=O)OCc1cc(=O)oc2cc(C)ccc12 8942523 GCVRSSVLTKSUKU-IBGZPJMESA-N 425.506 3.696 0 40 IHAB COc1cc(C(=O)NC(=S)Nc2nc(-c3ccccc3)cs2)cc(OC)c1OC 9014219 PFKYUWHJOKLIHZ-UHFFFAOYSA-N 429.523 3.963 0 40 IHAB O=C(Cn1c2c(sc1=O)[C@@H]1c3ccccc3OC[C@@H]1CS2)Nc1ccc(F)cc1 9429797 PHMLDPRJGXQWCB-XIKOKIGWSA-N 428.510 3.934 0 40 IHAB CCCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1 9612921 SUZWREVRNAHUCH-UHFFFAOYSA-N 438.549 3.775 0 40 IHAB COc1cc(OC)cc([C@H](NS(=O)(=O)c2c(C)c(C)cc(C)c2C)c2nccn2C)c1 9883245 PDJGKZQZDBZPDY-NRFANRHFSA-N 443.569 3.739 0 40 IHAB Cc1ccc2nc(N(CCN(C)C)C(=O)CCCS(=O)(=O)c3ccccc3)sc2c1 10218180 PAHDWVBBLMPWPM-UHFFFAOYSA-N 445.610 3.753 0 40 IHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O 10338681 FCNUZSRQNDIGMX-ROUUACIJSA-N 445.585 3.625 0 40 IHAB COc1ccc(C)cc1N(CC(=O)N1CCc2ccccc21)S(=O)(=O)c1ccccc1 10449056 XKWNAWADBDZVRQ-UHFFFAOYSA-N 436.533 3.788 0 40 IHAB COc1cc(NC(=O)COC(=O)COc2ccc(Cl)cc2Cl)cc(OC)c1OC 11024789 ONXMVYFFQGEJCV-UHFFFAOYSA-N 444.267 3.580 0 40 IHAB O=C(CNc1ccc(Cl)c(C(F)(F)F)c1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 11253909 NZFJRQJRTJZDJL-OAHLLOKOSA-N 446.878 3.991 0 40 IHAB CS(=O)(=O)Nc1ccc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)cc1 11707253 WJNRJMBQPALURQ-UHFFFAOYSA-N 446.532 3.841 0 40 IHAB CCOC(=O)[C@@H]1[C@H](c2cccc(Oc3ccccc3)c2)NC(=O)N(C)[C@@]1(O)C(F)(F)F 11859201 ZSZKOKPABFKBKF-ZWOKBUDYSA-N 438.402 3.605 0 40 IHAB CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1 12138186 BWCJLZMKBVTISN-SFHVURJKSA-N 441.553 3.509 0 40 IHAB CC[C@H](Cn1c(=O)oc2ccccc21)NC(=O)c1cnn2c(C(F)F)cc(C3CC3)nc12 12142073 JYQAXYVUQHIRMV-CYBMUJFWSA-N 441.438 3.661 0 40 IHAB O=C(/C=C/c1ccc(Cl)cc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 12779010 CJEGRBRTRLWJCB-FPYGCLRLSA-N 441.336 3.666 0 40 IHAB COc1ccc(-c2noc(CN3CCN(C(=O)C4(c5ccccc5)CCC4)CC3)n2)cc1 12792822 YPHGAJRHIVSPSX-UHFFFAOYSA-N 432.524 3.511 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N(C)c2nc3ccccc3s2)cc1 12811880 PDDWTTZJNDKMBP-SFHVURJKSA-N 429.567 3.811 0 40 IHAB CCN(CC)[C@H](CNC(=O)[C@@H]1CS[C@@]2(c3ccccc3)CCC(=O)N12)c1ccccc1 12819547 MVVOTBFHYVHETH-OTNCWRBYSA-N 437.609 3.777 0 40 IHAB CCOc1cc(C(=O)OCC(=O)c2ccc(C)s2)ccc1OCC(=O)N1CCCCC1 13017672 AHPAWTULHUVVKD-UHFFFAOYSA-N 445.537 3.886 0 40 IHAB C[C@H]1CCCN(C(=O)CSc2nc3ccccc3n2CC(=O)N2C[C@@H](C)C[C@@H](C)C2)C1 13082959 VGACNPHYZYEFFK-GBESFXJTSA-N 442.629 3.891 0 40 IHAB O=C1c2cccc(N3CCN(Cc4ccccc4)CC3)c2C(=O)N1CCc1cccc(F)c1 15072858 IYXRHMPRKGWZDA-UHFFFAOYSA-N 443.522 3.987 0 40 IHAB Cc1ccc(NC(=O)N2Cc3nc[nH]c3C[C@H]2c2nc(-c3ccc4c(c3)OCO4)no2)cc1 15707369 BSWTULBVKYEVLA-SFHVURJKSA-N 444.451 3.828 0 40 IHAB biogenic,in-vitro COC(=O)Cn1cc(CN2CCC(NC(C)=O)(c3ccccc3F)CC2)c2ccccc21 19021167 WNHQIRNFZXDJAI-UHFFFAOYSA-N 437.515 3.581 0 40 IHAB O=C(CCc1nc2ccccc2s1)N1CCC(O)(CN2CCc3ccccc3C2)CC1 19375383 PKZPACZSLYYMOS-UHFFFAOYSA-N 435.593 3.641 0 40 IHAB COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCCN2C(=O)Cn2ccnc2C(C)C)c1 19689814 NNOFHBLAUIQCDE-OAQYLSRUSA-N 448.571 3.902 0 40 IHAB Cc1nc([C@]2(O)CCCN(C(=O)c3cnn(C)c3C)CC2)sc1COc1ccccc1 19705169 FOAFXMMDTDHKPW-QHCPKHFHSA-N 440.569 3.586 0 40 IHAB CCN(C(=O)CCn1cnnn1)[C@H]1CCO[C@@H](c2ccc(-c3cc(F)cc(F)c3)cc2)C1 19711974 CNNISBVWZYPSTE-FCHUYYIVSA-N 441.482 3.777 0 40 IHAB CN(C)C(=O)[C@]1(Cc2cc(C3CCCCC3)no2)CCN(C(=O)CC2(O)CCCCC2)C1 19739224 INMOTRUIPMBFGD-DEOSSOPVSA-N 445.604 3.657 0 40 IHAB Cc1ccccc1OCCCC(=O)N1CC[C@H](c2ncc(C(=O)N3CCCC3)c(C)n2)C1 19757367 UOCUDIUPTRGSFQ-FQEVSTJZSA-N 436.556 3.505 0 40 IHAB CC(C)CNC(=O)c1cc([C@@H]2CN(Cc3cccnc3N(C)C)CCO2)nc2ccccc12 19762419 DKDBORBQNAEKEY-DEOSSOPVSA-N 447.583 3.655 0 40 IHAB CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(CN3CCOCC3)cc2)cc1 19922422 INLXITJLTFOXLX-UHFFFAOYSA-N 427.570 3.825 0 40 IHAB O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1)Nc1ccccc1Cl 19935278 WBKKCNMPSNIIHJ-UHFFFAOYSA-N 429.325 3.795 0 40 IHAB Cc1ccc(OC[C@H](C)NC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1 22374374 LMPYYQXFNYPURY-SFHVURJKSA-N 432.586 3.642 0 40 IHAB O=C(Nc1cccc2cccnc12)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 22415720 YDPHAMRKIWVBPK-MRXNPFEDSA-N 429.929 3.928 0 40 IHAB COC(=O)c1ccccc1NC(=O)C1CCN(c2ccc(-c3ccc(OC)cc3)nn2)CC1 23143176 JMDNEFVRTVSLQI-UHFFFAOYSA-N 446.507 3.794 0 40 IHAB Cc1noc(C)c1CCC(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 23146260 RPCAPMJJJOZGDS-UHFFFAOYSA-N 435.452 3.942 0 40 IHAB c1cc2c(cc1Sc1nc(CN3CCOCC3)nc3sc4c(c13)CCC4)OCCO2 23968569 KSMVEUPIYPXWLJ-UHFFFAOYSA-N 441.578 3.935 0 40 IHAB Cc1cc(C(=O)CN(C)Cc2c(F)cccc2Cl)c(C)n1[C@H]1CCS(=O)(=O)C1 26481479 OVFLWJHARHMZOO-HNNXBMFYSA-N 426.941 3.572 0 40 IHAB Cc1coc2c(C)c3oc(=O)c(CC(=O)N[C@H](Cc4ccc(O)cc4)C(=O)O)c(C)c3cc12 26771855 KZRBMJCYIYDJSM-HXUWFJFHSA-N 449.459 3.525 0 40 IHAB biogenic NC(=O)c1c(NC(=O)CCN2CCN(c3cccc(Cl)c3)CC2)sc2c1CCCC2 28843872 JUXWRIJKAKVFMB-UHFFFAOYSA-N 447.004 3.530 0 40 IHAB O=C(NCCc1ccc2c(c1)OCO2)c1cc(-c2ccccc2)c(N2CCOCC2)s1 32747591 UYEFONZENYGBSD-UHFFFAOYSA-N 436.533 3.953 0 40 IHAB CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 32845287 AADRAPCDFBEHLE-HRAATJIYSA-N 443.494 3.597 0 40 IHAB CCc1cc2oc(=O)cc(CN3CCN(Cc4cn5ccccc5n4)CC3)c2cc1Cl 32853695 KZBAEPDUACTEFK-UHFFFAOYSA-N 436.943 3.974 0 40 IHAB COc1ccc(C[C@@H](NC(=O)C2CCN(c3ncccn3)CC2)c2ccc(OC)cc2)cc1 32926159 JATMRCCNGCXXAG-XMMPIXPASA-N 446.551 3.810 0 40 IHAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)C2CCN(Cc3ccccc3Cl)CC2)c1 39757498 QBYKCLRDBBLQAL-UHFFFAOYSA-N 444.915 3.764 0 40 IHAB O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)NCCOc1ccccc1 59372056 WCUHLKYUHSGKPO-UHFFFAOYSA-N 444.940 3.731 0 40 IHAB Cc1nc(-c2ccc(Cl)s2)sc1C(=O)NC(C)(C)c1noc(CN(C)C)n1 65417542 BSTIHJBRUKSJOW-UHFFFAOYSA-N 425.967 3.943 0 40 IHAB COC(=O)[C@@H](NC(=O)COc1ccc(Br)cc1)c1ccccc1C(F)(F)F 65614221 IJNIFFFKIZWOKT-INIZCTEOSA-N 446.219 3.877 0 40 IHAB O=C(CCn1nc(-c2ccc(Br)cc2)ccc1=O)NCc1ccc(F)cc1 67261652 PUMAAQPTFHNVBF-UHFFFAOYSA-N 430.277 3.518 0 40 IHAB COc1cccc(N2CCN(c3c(C(=O)N4CCCC4)cnc4ccc(F)cc34)CC2)c1 67287984 BMLDDKUYOMWSLS-UHFFFAOYSA-N 434.515 3.945 0 40 IHAB O=C(Nc1nc2c(s1)CN(S(=O)(=O)/C=C/c1ccccc1)CC2)c1cccs1 70638690 UJZDQAGUNWLKJY-FMIVXFBMSA-N 431.564 3.816 0 40 IHAB O=C1C[C@@H](C2CCN(C(=O)c3cc(-n4cnnc4)ccc3Cl)CC2)Oc2ccccc21 72336684 YSSXCANRENYXRV-QFIPXVFZSA-N 436.899 3.807 0 40 IHAB Cc1ccc(OCCNc2cc(Cn3c(C)nc4ccccc4c3=O)nc(C)n2)c(C)c1 72373323 GHBRKPFRAOZQBW-UHFFFAOYSA-N 429.524 3.959 0 40 IHAB COc1cc(C)ccc1OCC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)CC[C@@H]1C(F)(F)F 95997579 YPPYIYCHOYNYCW-WMLDXEAASA-N 446.466 3.829 0 40 IHAB Cc1ccc(C(=O)NCCN2C(=O)S/C(=C/c3cccc(Br)c3)C2=O)o1 96019404 HDLJOHARKRTYCN-XNTDXEJSSA-N 435.299 3.817 0 40 IHAB CC(=O)Nc1ccc(CN2CCc3nc4cc(-c5cc(C)oc5C)nn4c(O)c3C2)cc1 100142936 KWZIAMBZBPQEJQ-UHFFFAOYSA-N 431.496 3.828 0 40 IHAB CC(C)N1[C@H]2CC[C@H]1CC(C(=O)NCCCN(Cc1cccnc1)C(=O)OC(C)(C)C)C2 101481468 OTRKEQYBZDJBNL-VXKWHMMOSA-N 444.620 3.976 0 40 IHAB CCOc1ccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)C(=O)c2ccccc2)cc1 102548680 JAYOWXMHJKMQHD-NLCRGRMESA-N 442.515 3.743 0 40 IHAB Cc1cccc(NC(=O)c2ccccc2NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 102945763 ROHKHMMDPRCUDZ-RTBURBONSA-N 433.508 3.751 0 40 IHAB CCn1c(COc2ccccc2OC)nnc1SCC(=O)Nc1ccccc1OC 104989658 USVFETFIKDRWSN-UHFFFAOYSA-N 428.514 3.625 0 40 IHAB C[C@H](c1nc(-c2ccccc2)no1)N1CCN(C(=O)[C@H]2Cc3cc(Cl)ccc3O2)CC1 106272135 QBERBYZWXQXSDY-FOIQADDNSA-N 438.915 3.599 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccccc2OC(C)C)cc1C(=O)N1CCCCC1 113939844 BMJQCKUWJOSIAE-UHFFFAOYSA-N 432.542 3.909 0 40 IHAB CSc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3ccc(F)cc3)CC2)cc1 113956218 IWLKKEIGQGCCJS-OAHLLOKOSA-N 436.574 3.826 0 40 IHAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 219259387 CSTAIHGYYCCUSH-FUHWJXTLSA-N 448.610 3.876 0 40 IHAB CC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)c1ccc(OC)cc1 219758038 ZNKJOLNYXPAXEF-PMACEKPBSA-N 436.961 3.769 0 40 IHAB CC[C@@H](NC(=O)[C@@H](CC)N(c1ccc(OC)cc1)S(C)(=O)=O)c1ccc(OC)cc1 220658397 WYGQPLLWOYPSIO-NHCUHLMSSA-N 434.558 3.516 0 40 IHAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(OC)c(OC)c1 222958126 KGNXEKADVAEVJK-GOSISDBHSA-N 442.556 3.589 0 40 IHAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2Cc2ccccn2)N1Cc1ccccn1 223550962 HJMOBPYMTUZQGC-PKTZIBPZSA-N 426.549 3.894 0 40 IHAB Cc1ccc(C)c(OCCNC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)c1 224029997 YADSJUNQGDWECD-UHFFFAOYSA-N 438.977 3.698 0 40 IHAB CC(C)Sc1nnc(NC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)s1 224035730 MMUZVDUFFKOLFP-UHFFFAOYSA-N 440.616 3.607 0 40 IHAB CS(=O)(=O)N(CCCC(=O)Nc1ccc(Cc2ccncc2)cc1)c1ccccc1F 224753591 ROLAJLZDEKKUDN-UHFFFAOYSA-N 441.528 3.996 0 40 IHAB COc1ccc(Br)cc1S(=O)(=O)Nc1nnc(SCC(C)C)s1 224819494 OSMDTETVWRQZCJ-UHFFFAOYSA-N 438.394 3.858 0 40 IHAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)COc1ccccc1OC 225523573 ZGDYUCDWQFJBMQ-QHCPKHFHSA-N 446.547 3.769 0 40 IHAB COc1cc(=O)n(-c2ccccc2)cc1C(=O)N1CCC(N2CCc3sccc3C2)CC1 238826871 DYSJDXYBMJIPON-UHFFFAOYSA-N 449.576 3.571 0 40 IHAB Cc1cccc(C)c1N1C[C@H]2C[C@]2(C(=O)Nc2ccc(OC(F)(F)F)cc2)S1(=O)=O 260842785 XGEFCMPLDYAONQ-KUHUBIRLSA-N 440.443 3.749 0 40 IHAB COc1cc(C(=S)N2CCOCC2)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 409240045 JEXQCSAXOTVYLR-UHFFFAOYSA-N 438.908 3.513 0 40 IHAB C[C@@H]1CC(C)(C)N(C)c2cc3oc(=O)c(-c4cc(O)nc(N5CCOCC5)n4)cc3cc21 618256891 NHWNADVWVLHKJZ-CQSZACIVSA-N 436.512 3.514 0 40 IHAB C[C@@H]1CN(C[C@@H]2C[C@@H]3CCN(C(=O)[C@@H]4C[C@@H]4c4ccc(Cl)cc4)C[C@@H]3O2)C[C@@H](C)O1 2056225282 IEMIHQRQALFGJM-ZYOJFKBPSA-N 432.992 3.559 0 40 IHAB CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(OCc3ccccc3)cc2)n2nnnc2N1 703575 GBYSHHBDZFBRMY-JOCHJYFZSA-N 439.479 3.575 0 40 IHAB Cc1ccc(N(C(=O)c2csnn2)[C@H](C(=O)NCc2ccccc2)c2cccnc2)cc1 1357243 HEUSGQVSTXDVTQ-QFIPXVFZSA-N 443.532 3.946 0 40 IHAB COc1cc(OC)cc(C(=O)N(CCc2ccccc2)Cc2nc3ccccc3c(=O)[nH]2)c1 1359852 MAUPNSPPWGJCFG-UHFFFAOYSA-N 443.503 3.825 0 40 IHAB Cc1ccc(/C=C/C(=O)N(Cc2cccc(Br)c2)[C@@H]2CCS(=O)(=O)C2)cc1 2405006 YVCZWZIKPBNGDI-SQUSKLHYSA-N 448.382 3.987 0 40 IHAB CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O 3187322 AAAGDBJCICWQRC-FUNVUKJBSA-N 432.464 3.746 0 40 IHAB Cc1csc(NC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(Cl)cc2)n1 3294181 ARBSIHFLRVEFBX-SFHVURJKSA-N 447.969 3.859 0 40 IHAB O=C(O)c1nn(Cc2cc(F)cc3c2O[C@@H](c2ccccc2)OC3)c(=O)c2ccccc12 3305856 NNLFRCSIOCVROR-DEOSSOPVSA-N 432.407 3.890 0 40 IHAB COc1ccc(C)cc1NC(=O)/C=C/c1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 3358431 PKHPLDZAVJREMB-FMIVXFBMSA-N 444.553 3.839 0 40 IHAB Cc1ccc(-n2c(S[C@H](C)C(=O)Nc3c(C)nn(C)c3C)nnc2N2CCCC2)cc1 8721216 DENQTZYNBNFXJT-QGZVFWFLSA-N 439.589 3.646 0 40 IHAB COc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)C(C)C)CC3)c(Cl)c2)cc1OC 8832492 AOZFBZXXCLBCJT-UHFFFAOYSA-N 445.947 3.914 0 40 IHAB COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 8941739 QLMMSVLKFSBQSU-GOSISDBHSA-N 438.549 3.848 0 40 IHAB CC1=C[C@@H]2C[C@H]1[C@H]1C(=O)N(c3ccc(C(=O)OCC(=O)c4ccc(F)cc4)cc3)C(=O)[C@H]21 9094728 ZYNFFYIKOUYRTA-JCXROGDPSA-N 433.435 3.567 0 40 IHAB Cc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)n1C 9335970 LCZROZGRIXSTKD-KRWDZBQOSA-N 437.569 3.746 0 40 IHAB CC(C)(C)C(=O)[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=NN12 9462912 JRWJQHLSFXSIAT-FUMNGEBKSA-N 435.911 3.834 0 40 IHAB COc1cccc(C(=O)NCC(=O)O[C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)c1 9507067 DTZCYFNUSRWCPF-DEOSSOPVSA-N 446.503 3.965 0 40 IHAB Cc1ccccc1N1C[C@@H](C)Cn2c1nc1c2c(=O)n(Cc2ccccc2Cl)c(=O)n1C 9519330 WGDPMKJGHULNSM-OAHLLOKOSA-N 449.942 3.695 0 40 IHAB COc1ccc(CCNC(=O)CSc2ccc3nc(-c4ccccc4)cn3n2)cc1OC 9712886 PEXBMZVIZLLBLA-UHFFFAOYSA-N 448.548 3.865 0 40 IHAB O=C(CSc1ccc(S(=O)(=O)N2CCCCCC2)cn1)N1CCCc2ccccc21 9793858 UWOIBOVUARGGET-UHFFFAOYSA-N 445.610 3.718 0 40 IHAB Cc1ccc(C2=NN(C(=O)Cn3nc(-c4cccs4)oc3=O)[C@H](c3ccco3)C2)cc1 9834359 ZOIKEEIKHCFYSZ-KRWDZBQOSA-N 434.477 3.844 0 40 IHAB C[C@@H](OC(=O)CNC(=O)c1sc2ccccc2c1Cl)C(=O)N1CCc2ccccc21 9987070 DCZZATJGQQPYFT-CYBMUJFWSA-N 442.924 3.806 0 40 IHAB CCCNC(=O)c1ccccc1NC(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O 10338073 FFNJVLAMXOUUGT-UHFFFAOYSA-N 445.585 3.628 0 40 IHAB COc1ccc(C)cc1-n1c(S[C@@H](C)C(=O)N(C)C)nc2cc(Cl)ccc2c1=O 11066556 JRHIAYBFXCMMBN-ZDUSSCGKSA-N 431.945 3.925 0 40 IHAB C[C@H](Sc1nnnn1Cc1ccco1)c1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3 11309539 VANPONMSLNQVJH-MNOVXSKESA-N 428.543 3.591 0 40 IHAB O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1C[C@H]2CC[C@](O)(c3ccc(F)cc3)[C@H]2C1 12185769 DSDYQRYTMZHFSJ-SKDDIYDISA-N 436.439 3.579 0 40 IHAB Cc1nc2ccc(OCC(=O)OCc3ccccc3)cc2c(=O)n1-c1ccc2c(c1)OCO2 12297124 LAGVWEWVMNTJFW-UHFFFAOYSA-N 444.443 3.545 0 40 IHAB biogenic C[C@H]1C[C@@H](C)CN(C(=O)CSc2nnc3n(-c4ccccc4)c(=O)c4ccccc4n23)C1 12531562 GOEGXXAJMCNPIY-CALCHBBNSA-N 447.564 3.630 0 40 IHAB Cc1ccc(OCc2nnc(SCc3cc(Cl)c4c(c3)OCCO4)n2N)c(C)c1 12569342 BATDQOLVHJKIKY-UHFFFAOYSA-N 432.933 3.905 0 40 IHAB COc1cc(OC)cc(C(=O)NCC(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)c1 12625351 PTLQIYFVMCBXPG-UHFFFAOYSA-N 438.455 3.681 0 40 IHAB O=C(c1ccc(Oc2ccccc2)cc1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 12794900 QEFUJJDATNVZDA-XMMPIXPASA-N 444.487 3.603 0 40 IHAB O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1C[C@H](O)COc1ccc(Cl)cc1Cl 12870042 IUTMXAMKFLCQOP-YCRPNKLZSA-N 435.307 3.517 0 40 IHAB CC[C@H](C)N(C(=O)c1csnn1)[C@@H](C(=O)NCc1ccc(F)cc1)c1ccccc1 12873991 JNPNMRIPMAZFBN-MGPUTAFESA-N 426.517 3.976 0 40 IHAB COC(=O)c1ccccc1NC(=O)COC(=O)c1ccccc1NC(=O)c1ccccc1 13880507 VPWHLYHUGPHZKX-UHFFFAOYSA-N 432.432 3.521 0 40 IHAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)CSc1nnnn1C[C@@H]1CCCO1 14182929 RSVRYJMZWZZAAT-INIZCTEOSA-N 447.948 3.516 0 40 IHAB CCCCn1c(N)c(N(Cc2ccccc2)C(=O)c2cc(C)c(CC)s2)c(=O)[nH]c1=O 14625200 QGDLBNWUBCOCHD-UHFFFAOYSA-N 440.569 3.698 0 40 IHAB Cc1ccc(CCC2CCN(Cn3nc(C[C@@H]4CCS(=O)(=O)C4)oc3=S)CC2)cc1 15516952 LKPHGROZCZOIPL-FQEVSTJZSA-N 449.642 3.794 0 40 IHAB CCc1nn2c(=O)cc(COC(=O)c3cccc(NC(=O)c4cccc(C)c4)c3)nc2s1 15771683 DFVWPPPFHXJIOV-UHFFFAOYSA-N 448.504 3.631 0 40 IHAB COc1ccc(S(=O)(=O)[C@H](CNC(=O)c2ccc(F)c(F)c2)c2cccs2)cc1 15780831 GNXUGVQTARTQOW-LJQANCHMSA-N 437.489 3.980 0 40 IHAB C[C@@H](NC(=O)COc1ccc(I)cc1)c1ccc(-n2ccnc2)cc1 18047768 JLTNLSLAHVFZCL-CQSZACIVSA-N 447.276 3.733 0 40 IHAB COc1ccccc1-c1ccccc1C[C@@H]1CN(C(=O)c2cc(C(C)C)no2)CCNC1=O 19452946 JJGCBBIHLAJRCZ-LJQANCHMSA-N 447.535 3.905 0 40 IHAB COc1cccc(CNc2cc(CC3CCN(C(=O)C[C@@H]4CCCO4)CC3)nc(C)n2)c1 19758706 PXGLOYNEWARWCM-QHCPKHFHSA-N 438.572 3.756 0 40 IHAB CC(C)CNC(=O)c1cc([C@@H]2CN(C(=O)c3ccnn3C(C)C)CCO2)nc2ccccc12 19759677 JFPIGALGUFBRCX-QHCPKHFHSA-N 449.555 3.612 0 40 IHAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)CN2CCN(c3ccc(O)cc3)CC2)cs1 22010152 ISVSKBJXBJCVTD-UHFFFAOYSA-N 434.565 3.535 0 40 IHAB O=C(NCCc1ccccc1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 23224484 SEPIXOWJMGZZSX-LJQANCHMSA-N 445.494 3.790 0 40 IHAB CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3cccnc3)c3nc4ccccc4n32)cc1 23411289 KTGCWFFRVSWQRW-JOCHJYFZSA-N 441.491 3.947 0 40 IHAB CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)C[C@@H](NC(N)=O)c1ccc(Cl)cc1 30314187 GNEOBQBXYOTUIR-MRXNPFEDSA-N 429.826 3.997 0 40 IHAB CCOc1cc2c(cc1CNC(=O)CCn1c(=O)oc3cc(Cl)ccc31)O[C@H](C)C2 32747569 OKYGRZGWFLRMOF-CYBMUJFWSA-N 430.888 3.677 0 40 IHAB CC(=O)NCc1ccc(S(=O)(=O)N2CCc3sccc3[C@@H]2c2ccccc2)s1 32811115 XJRBRPOLJVIRFO-FQEVSTJZSA-N 432.592 3.782 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc3c(c2)CCC(=O)N3)ccc1Cl 32836581 DPBQLVDYTSNIOH-UHFFFAOYSA-N 435.933 3.508 0 40 IHAB O=C(c1sccc1S(=O)(=O)N1CCc2ccccc2C1)N1CCc2ccccc2C1 32901340 RUFITHUNLYXWMW-UHFFFAOYSA-N 438.574 3.694 0 40 IHAB COc1cccc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3ccccc3F)cc2)c1 32945530 APJIRUBQQPUXPB-UHFFFAOYSA-N 444.484 3.677 0 40 IHAB CCOc1ccc(NC(=O)Cn2cc(-c3nc(-c4ccc(OC)cc4)no3)ccc2=O)cc1 33293146 BFHBERUIZRMDBM-UHFFFAOYSA-N 446.463 3.611 0 40 IHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(-n2nnc(-c3ccccc3Cl)n2)nc1 34702279 UZTIGCUKAXAZBT-UHFFFAOYSA-N 440.916 3.593 0 40 IHAB CS(=O)(=O)N1CC[C@H](C(=O)Nc2ccc(C(F)(F)F)cc2)Oc2ccc(Cl)cc21 38860528 QSAHCEVLJSYPHT-MRXNPFEDSA-N 448.850 3.915 0 40 IHAB O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)NCc1ccc(COCC(F)(F)F)cc1 40025105 NMLNFIXNKHMTII-UHFFFAOYSA-N 438.490 3.714 0 40 IHAB CNC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(COc2ccccc2F)o1 40133736 JEDNVRKUGWTSIC-UHFFFAOYSA-N 428.416 3.627 0 40 IHAB CC(C)(C)c1noc(CN2Cc3ccccc3C[C@@H]2C(=O)NCCc2ccc(F)cc2)n1 48290833 XSQQENYVTCODAS-OAQYLSRUSA-N 436.531 3.792 0 40 IHAB CC(C)(C)c1noc(CN2Cc3ccccc3C[C@H]2C(=O)NCCc2ccc(F)cc2)n1 48290834 XSQQENYVTCODAS-NRFANRHFSA-N 436.531 3.792 0 40 IHAB Cc1ccc2c(=O)c(C(=O)N3CCC(C)CC3)cn(CC(=O)Nc3ccc(C)c(C)c3)c2n1 49002232 AXLMVTWWKXDHCD-UHFFFAOYSA-N 446.551 3.833 0 40 IHAB Cc1ccc(C)c(NC(=O)Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3ccccc32)c1 51357840 BGMQFECSENZXPK-UHFFFAOYSA-N 431.467 3.606 0 40 IHAB O=C(NC[C@@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1)c1c(F)cccc1F 56945490 HNZVIRXUGXIGKZ-FQEVSTJZSA-N 429.442 3.990 0 40 IHAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)NCCC(=O)N1CCc2sccc2C1 58157695 CSDFCRVRAIPTAL-UHFFFAOYSA-N 427.501 3.566 0 40 IHAB CCc1ccccc1NC(=O)CN1CCN(C(=O)c2nc(-c3ccccc3)oc2C)CC1 58159573 KHGCONYYKMFQPQ-UHFFFAOYSA-N 432.524 3.609 0 40 IHAB O=C(OCCc1cc2cc(Br)ccc2o1)[C@H]1CC(=O)N(CC(F)(F)F)C1 59253430 KMIYBKQQZXTAKK-NSHDSACASA-N 434.208 3.692 0 40 IHAB COc1cccc([C@@H]2[C@H](C(=O)Nc3nc4ccc(C)cc4s3)CC(=O)N2C)c1OC 61720273 AVLSVUZUYBJDPZ-AUUYWEPGSA-N 425.510 3.780 0 40 IHAB COc1ccc(C(F)(F)F)cc1NC(=O)C1CCN(c2ccc(-n3cccn3)nn2)CC1 62163354 NYRHFDXKUMJGSU-UHFFFAOYSA-N 446.433 3.545 0 40 IHAB CC[C@@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCc1nccn1CC(F)(F)F 65562560 QASOAMNKNIBUBX-WBMJQRKESA-N 431.842 3.987 0 40 IHAB CCOc1ccccc1NC(=O)c1nnn(CC(=O)Nc2cc(Cl)ccc2OC)c1C 67322166 KSKHVYRFWVAAHQ-UHFFFAOYSA-N 443.891 3.538 0 40 IHAB O=C(CC(c1ccccc1)c1ccccc1)N1CCN(c2ccc(-n3ccnc3)nn2)CC1 70641051 DNIZNJIJLOPDJV-UHFFFAOYSA-N 438.535 3.533 0 40 IHAB O=C(O)[C@@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1ccc2ccccc2c1 71980624 HYCVXVBXYUECLO-QHCPKHFHSA-N 430.504 3.758 0 40 IHAB COc1cccc(S(=O)(=O)N2CC[C@H](c3c(C(=O)N(C)C)sc4ccccc34)C2)c1 72352327 AZBKYDYMQBBWLD-HNNXBMFYSA-N 444.578 3.790 0 40 IHAB COc1ccc(-n2nc(C)c3c2C=C2Oc4c(C(C)=O)c(O)c(C)c(O)c4[C@@]2(C)C3=O)cc1 82052706 PJVFSELQOQGABM-VWLOTQADSA-N 446.459 3.999 0 40 IHAB biogenic COc1ccc(CCNC(=O)Cc2c(C)nc3c4c(F)cccc4nn3c2C)cc1OC 95475576 FEDCCUHKVCKHHB-UHFFFAOYSA-N 436.487 3.557 0 40 IHAB C[C@@H](OC(=O)c1cc(Br)cnc1N)C(=O)Nc1nc(-c2ccccc2)cs1 95976342 QPJQKPJMIROYBO-SNVBAGLBSA-N 447.314 3.734 0 40 IHAB Cc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccc(C(=O)O)cc3)C(=O)[C@@H]2ON1c1ccccc1 102767629 JRCAJBKWMVHQDJ-BHDDXSALSA-N 428.444 3.744 0 40 IHAB CCOc1ccc(COc2ccc(N3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)cc2)cc1OCC 103149279 RTAQEHIFPNSBIV-PRTQVNTJSA-N 437.492 3.730 0 40 IHAB O=C(Nc1cccc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)c1)c1cnccn1 107974731 QPXDUJXYUOWZDH-UHFFFAOYSA-N 436.465 3.844 0 40 IHAB COc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3cc(C)ccc3C)n2)c(OC)c1 219077513 YXDIDQZADPYYSB-MRXNPFEDSA-N 425.485 3.797 0 40 IHAB COC(=O)c1ccc(S(=O)(=O)N2CCS[C@H](c3cc(F)ccc3F)CC2)cc1 219355229 ONUCPSALCWFDHA-SFHVURJKSA-N 427.494 3.620 0 40 IHAB O=C(O)c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)cc1 223319907 XVXOXQSUVIXLPC-YUXAGFNASA-N 448.548 3.722 0 40 IHAB COc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)Nc3ccc4c(c3)OCO4)c2)cc1 224280733 QPSJNVKMSAOWSL-UHFFFAOYSA-N 440.477 3.501 0 40 IHAB CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(OC)c(OC)c1 224734439 WCXPKJMWKVDECL-LJQANCHMSA-N 426.557 3.888 0 40 IHAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)N[C@@H](C)c3ccc(C)c(C)c3)s2)c1 224943850 UTZFWJFZOLJGBR-HNNXBMFYSA-N 430.555 3.755 0 40 IHAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)COc1ccc(F)cc1 225594859 XINIICRDJRRJKI-XMMPIXPASA-N 434.511 3.899 0 40 IHAB COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(C)n1C 225663340 CZFPDBXEKNWGEZ-GOTSBHOMSA-N 449.580 3.738 0 40 IHAB COc1cccc(C(=O)N(CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)c2ccc(C)cc2)c1 226399397 QJZWTKQQZUCRIR-JEYZWYLSSA-N 442.515 3.661 0 40 IHAB COc1cccc(Cc2cc(C)nc([C@H]3CN(C(=O)Cc4csc(C)n4)CCO3)c2)c1 257241826 HZTXEZJMMDYRND-HSZRJFAPSA-N 437.565 3.897 0 40 IHAB C[C@]12C[C@@H](Cc3ccccc3)N(C(=O)CCn3cnc4ccccc43)[C@H]1CCCC(=O)N2 257264164 LTEHYGBBUUUOFW-SEIBCYHCSA-N 430.552 3.697 0 40 IHAB Cc1cccc(Nc2cc(C)nc([C@H]3CN(C(=O)Cn4cnc5ccccc54)CCO3)c2)n1 257296611 RDOFNZFPNVQXPH-HSZRJFAPSA-N 442.523 3.787 0 40 IHAB O=C(N[C@@H]1CCCC[C@@H](Oc2ccccc2)[C@@H]1O)c1cccc(OCCN2CCCC2)c1 257339863 ZDMWDTGAXKHQRO-UBFVSLLYSA-N 438.568 3.642 0 40 IHAB COc1ccc(CN2Cc3sc(C(C)C)nc3C3(CCN(S(C)(=O)=O)CC3)C2)cc1 306142961 XPFSYFXJIHDHLK-UHFFFAOYSA-N 449.642 3.584 0 40 IHAB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1 408636211 YSKXVFHRSODZGD-UHFFFAOYSA-N 430.448 3.720 0 40 IHAB CCCc1nnc(SCC(=O)Nc2ccc(I)cc2)n1CC 408637418 KDIUULCMYOAXEE-UHFFFAOYSA-N 430.315 3.586 0 40 IHAB O=C(CSc1nc2ccc(NC(=O)c3ccccc3C(=O)O)cc2s1)NC1CC1 408979869 DEEMZTCXOCWHBY-UHFFFAOYSA-N 427.507 3.618 0 40 IHAB CC(C)OCCCNC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 409311869 CEOUMSDDZXGLKI-UHFFFAOYSA-N 438.977 3.851 0 40 IHAB Cc1ccc(NC(=O)Cc2nnc(SCC(=O)Nc3ccc(Cl)cc3)n2C)cc1 409352016 VORYQMWAMAWNIE-UHFFFAOYSA-N 429.933 3.689 0 40 IHAB Cc1cccc(N(CC(=O)NCc2ccccn2)S(=O)(=O)c2ccc(Cl)cc2)c1 409410563 OAYLWOZHBUSSQP-UHFFFAOYSA-N 429.929 3.555 0 40 IHAB O=C(CCC1CCCC1)N1CCC(COc2ccccc2)(CC(=O)N2CCOCC2)CC1 2037905473 MWGVGGNPTMEFCA-UHFFFAOYSA-N 442.600 3.894 0 40 IHAB CCOC(=O)c1ccc(NC(=O)c2sc(NC(=O)C(C)C)c(C(=O)OC)c2C)cc1 871555 WYGSDJHCXZWHCO-UHFFFAOYSA-N 432.498 3.867 0 40 IHAB O=C1S/C(=C\c2ccc(I)o2)C(=O)N1CCOc1ccccc1 1104706 OTDKGDPNWPCXTL-RAXLEYEMSA-N 441.246 4.000 0 40 IHAB CC(=O)c1ccc(C(=O)CSc2nnc3c4c5c(sc4nc(N)n23)CCCC5)cc1 2404444 CUOMBNNDIFIFGV-UHFFFAOYSA-N 437.550 3.978 0 40 IHAB CCOC(=O)c1c(NC(=O)CSc2nnc(-c3ccncc3)o2)sc(C(C)=O)c1C 3345609 QHGTVKZGYMEPSQ-UHFFFAOYSA-N 446.510 3.612 0 40 IHAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1 6088653 YVOGANSEPCSZJH-IBGZPJMESA-N 429.498 3.888 0 40 IHAB O=C(NCc1ccccn1)c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 6147058 NJRJVRAGGNVKEC-UHFFFAOYSA-N 435.427 3.831 0 40 IHAB CCN(CC)CCOC(=O)c1ccc(NC(=O)c2cc3cccc(OC)c3oc2=O)cc1 8584821 RQTYEWHBXLVQPN-UHFFFAOYSA-N 438.480 3.553 0 40 IHAB COc1cc(OC)c(OC)cc1CNC(=O)CCn1c(-c2ccc(C)cc2)n[nH]c1=S 8750245 XPKHABRCSNCVQX-UHFFFAOYSA-N 442.541 3.648 0 40 IHAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CCc1ccc(N(C)C)cc1 9127229 SLYNMFVFLDLRHP-UHFFFAOYSA-N 441.572 3.958 0 40 IHAB CCOC(=O)c1c(C)c(C)n(Cc2cccs2)c1NC(=O)COC(=O)c1ccco1 9337702 VLTSFGSDWBDLBD-UHFFFAOYSA-N 430.482 3.780 0 40 IHAB COCCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1c[nH]c2ccccc12 9382317 ZQDDCFAGXPJQEO-UHFFFAOYSA-N 425.489 3.943 0 40 IHAB O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C12CC3CC(CC(C3)C1)C2 9396717 YPSCODXJMDKCAE-UHFFFAOYSA-N 438.977 3.516 0 40 IHAB Cc1ccc(-c2noc(CCCCCNC(=O)CCN3C(=O)COc4ccccc43)n2)cc1 9577428 MUTMAZYOSZPYPL-UHFFFAOYSA-N 448.523 3.690 0 40 IHAB CC(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3Cl)C2=O)cc1 9631897 SGFSXILMZWHOLW-FQEVSTJZSA-N 434.279 3.602 0 40 IHAB COc1ccc(NC(=O)CSc2nccn(-c3cc(C)cc(C)c3)c2=O)cc1OC 9639977 KOECUQDWELBYEC-UHFFFAOYSA-N 425.510 3.597 0 40 IHAB O=C(CSc1nnc(-c2cccnc2)n1-n1cccc1)Nc1ccc(F)c(Cl)c1 9707855 GISSAJDEEBZYRO-UHFFFAOYSA-N 428.880 3.976 0 40 IHAB CCCn1c(SCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)nnc1-c1ccncc1 9712288 SSSCRRRTADECIL-OAHLLOKOSA-N 436.541 3.606 0 40 IHAB O=C(CSc1nnnn1Cc1ccco1)N[C@H](c1ccc(F)cc1)c1cccs1 11313151 RPCGQFBKIVGBTJ-GOSISDBHSA-N 429.502 3.513 0 40 IHAB CC1(C)CC(=O)c2c(O)cc(OCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)cc2O1 12324776 NEHBVCXZBKBKEV-UHFFFAOYSA-N 444.915 3.517 0 40 IHAB CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)[C@@H]1CCCN1C(=O)c1cccs1 12356907 GLFSZXHAPCCXQW-SFHVURJKSA-N 428.554 3.723 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CNC(=O)Cc1cccc2ccccc12 12678288 BQBXJVWYSHOPQW-UHFFFAOYSA-N 440.547 3.960 0 40 IHAB CN(C)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=O)Nc1cccc(Cl)c1 12710694 PHRPISCGQVYOOP-UHFFFAOYSA-N 442.903 3.506 0 40 IHAB O=C(Nc1nc2ccccc2[nH]1)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1 12735615 YFJKRTPYAMUNQM-UHFFFAOYSA-N 440.912 3.947 0 40 IHAB CS(=O)(=O)Nc1cccc(C(=O)Nc2nnc(C34CC5CC(CC(C5)C3)C4)s2)c1 12748689 LHLDBJYIFBCQJG-UHFFFAOYSA-N 432.571 3.630 0 40 IHAB Cc1cc(C)cc(N(CC(=O)NC2CCCCC2)C(=O)CCC(=O)Nc2nccs2)c1 13501731 YWVRIAVTYXMCBF-UHFFFAOYSA-N 442.585 3.961 0 40 IHAB Fc1ccccc1[C@@H](c1nnnn1Cc1ccco1)N1CCN(c2ccccc2F)CC1 13505108 QXRHWZDULXNDFH-QFIPXVFZSA-N 436.466 3.504 0 40 IHAB Cc1c(CC(=O)NCCc2c[nH]c3ccc(F)cc23)c(=O)oc2cc(O)c(Cl)cc12 13593122 QENPRGBJPUOUSO-UHFFFAOYSA-N 428.847 3.982 0 40 IHAB C[C@H]1CN(C(=O)c2cc3cc(Br)cc(Br)c3oc2=O)C[C@@H](C)O1 15276738 BLIHUZYNQFKCSS-DTORHVGOSA-N 445.107 3.567 0 40 IHAB O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccc(OC(F)(F)F)cc1 16959996 YJTAHOACXNQENQ-UHFFFAOYSA-N 442.459 3.941 0 40 IHAB O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1cccs1)N2)N1CCN2CCC[C@@H]2C1 17094415 VLXJAOYICCCTEV-IOASZLSFSA-N 425.480 3.525 0 40 IHAB COc1ccccc1CN(Cc1nc2ccccc2c(=O)[nH]1)S(=O)(=O)c1ccc(C)cc1 17920340 PFMRMIMERZWHRM-UHFFFAOYSA-N 449.532 3.631 0 40 IHAB O=C(CNS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1)c1ccccc1 18197861 NXQDLVABESZPIP-UHFFFAOYSA-N 428.897 3.754 0 40 IHAB Cc1cccc(C(=O)N2CCCC[C@@H]2c2nc(O)c3c(n2)CN(Cc2ccncc2)CC3)c1 19234416 IOTBFLJYXWBAJO-HSZRJFAPSA-N 443.551 3.811 0 40 IHAB CCOC(=O)[C@@]1(Cc2cc(-c3ccccc3C)no2)CCCN(C(=O)[C@@H]2CCCO2)C1 19529926 QHPNOKLNXIJLCH-XUZZJYLKSA-N 426.513 3.543 0 40 IHAB COc1cccc(-c2cccc(C[C@@H]3CN(C(=O)Cc4ccccc4)CCNC3=O)c2)c1 19566672 PJCLHZZYUWGIKQ-XMMPIXPASA-N 428.532 3.722 0 40 IHAB CN1CCC(O)(Cn2nc(-c3ccccc3)c3ccc(NC(=O)c4ccccn4)cc32)CC1 19588047 JROQAXRHXJSCGZ-UHFFFAOYSA-N 441.535 3.807 0 40 IHAB CNC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CN(C(=O)CCC2CCCC2)CCO1 19591814 RJWOTPMUNORDKH-AREMUKBSSA-N 435.568 3.605 0 40 IHAB CC1=NN(CCC(=O)N2CCC[C@@H](c3nc(N(C)C)ncc3-c3cccc(F)c3)C2)CC1 19693949 PAVMVFYMZHMMJI-LJQANCHMSA-N 438.551 3.526 0 40 IHAB CNc1cc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(C2CCN(C(=O)C(C)C)CC2)n1 19697325 UDVUCXYNWGRCJV-QGZVFWFLSA-N 439.535 3.540 0 40 IHAB Cc1cccc(CN2C(=O)CCCC[C@@H]3[C@@H]2CCN3Cc2ccc3c(c2)n(C)c(=O)n3C)c1 19713521 PZWSFZYKZZTSLG-RPWUZVMVSA-N 446.595 3.731 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)N(c2ccccc2)S(C)(=O)=O)c(Cl)c1 20050236 LXFGRYAHHNBERQ-GOSISDBHSA-N 438.933 3.700 0 40 IHAB CCOC(=O)c1ccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)c(Cl)c1 20452940 FCPJGPNVOKLLQR-UHFFFAOYSA-N 431.297 3.794 0 40 IHAB CCCCc1nnc(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2)s1 22742679 PLOQXOXNGJHWLV-UHFFFAOYSA-N 446.554 3.942 0 40 IHAB CCOC(=O)C1=C(CSc2nnc(SCC)s2)NC(=O)N[C@H]1c1cccs1 24901052 PCFCDBCPXVNKDM-LBPRGKRZSA-N 442.613 3.675 0 40 IHAB O=C(CN1CCN(C(=O)c2ccccc2)CC1)N[C@@H](c1ccc(F)cc1)c1cccs1 26852055 LSHHAKPSLGKHTM-QHCPKHFHSA-N 437.540 3.551 0 40 IHAB COc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1 30872860 SQSZSITXHSIJMX-UHFFFAOYSA-N 429.523 3.622 0 40 IHAB O=S1(=O)C[C@H]2N=C(SCc3ccc(Cl)cc3)N(c3ccc(F)cc3F)[C@H]2C1 32639693 BSNBFSHRGXFMEM-WBVHZDCISA-N 428.913 3.893 0 40 IHAB c1ccc(-c2nnc3n2[C@H](CSc2nnc(NC[C@H]4CCCO4)s2)CS3)cc1 32906021 HQVAOOFSFXOUDZ-UONOGXRCSA-N 432.600 3.827 0 40 IHAB O=C(c1cc(-c2cccnc2)on1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 32926788 BOKIUTFXTMMOQB-UHFFFAOYSA-N 431.521 3.818 0 40 IHAB CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC[C@H](c1ccco1)N(C)C 32967245 UEBQQCGGZCHHBI-SJLPKXTDSA-N 426.344 3.760 0 40 IHAB COc1ccc([C@]2(O)NC(=O)N[C@@H](c3ccc(C(C)C)cc3)[C@H]2C(=O)C(F)(F)F)cc1 35023528 FWKIKXUDPVZZGV-BBTUJRGHSA-N 436.430 3.765 0 40 IHAB COc1cc2c(cc1NC(=O)[C@@H](C)NC1=NS(=O)(=O)c3ccccc31)oc1ccccc12 40009501 XNNUZBNZHBWPIY-CYBMUJFWSA-N 449.488 3.660 0 40 IHAB CN(Cc1cccc(F)c1)C(=O)COC(=O)c1cc(-c2cccnc2)n(-c2ccccc2)n1 40138906 RGVZQDZUPYCBAY-UHFFFAOYSA-N 444.466 3.889 0 40 IHAB O=C(NCc1ccc2c(c1)OCO2)c1[nH]nnc1Nc1ccc(OCc2ccccc2)cc1 44167289 ITTHZWCAYFFLLY-UHFFFAOYSA-N 443.463 3.786 0 40 IHAB CCOc1ccc(OCC)c(NC(=O)COc2cc(C)nc(N3CCC(C)CC3)n2)c1 44169928 PNRHYCWTYTVJKW-UHFFFAOYSA-N 428.533 3.836 0 40 IHAB CC(C)C[C@H](NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1)c1ccccc1 44937017 VKJZJOAMSHFCHP-FXAWDEMLSA-N 436.961 3.771 0 40 IHAB CN(C)CCN(Cc1cccnc1)C(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 48260885 UZEPHECXVUMPOF-UHFFFAOYSA-N 432.450 3.882 0 40 IHAB Cc1ccc2c(=O)c(C(=O)Nc3ccccc3)cn(CC(=O)Nc3ccccc3C)c2n1 49001980 ZDTFUGNTBBASDH-UHFFFAOYSA-N 426.476 3.904 0 40 IHAB CC(C)c1ccc(-n2ncc3c(=O)n(CC(=O)NCc4ccc(Cl)cc4)cnc32)cc1 57486538 DMPMYUDKMJYYNJ-UHFFFAOYSA-N 435.915 3.675 0 40 IHAB CC[C@@H](c1nnnn1CCOC)N(Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O 57640835 GFRSTINASZPFAQ-QHCPKHFHSA-N 446.555 3.623 0 40 IHAB CC[C@@H](C)n1c(SCC(=O)N[C@H](C)c2ccc(OC)cc2)nc2cc(C)[nH]c2c1=O 67239257 CTGUTLVCZTUOFT-HUUCEWRRSA-N 428.558 3.982 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)Cn1c(Nc2cc(C)cc(C)c2)nc(C)cc1=O 67246378 UMMKFQRJGMAETE-UHFFFAOYSA-N 434.496 3.728 0 40 IHAB O=C(Cn1nc2n(c1=O)CCCCC2)Nc1ccc(Nc2ccc(F)cc2)c2ccncc12 72275049 FBNWFXQNKCSMTJ-UHFFFAOYSA-N 446.486 3.841 0 40 IHAB Cc1cccnc1Nc1nccc([C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)n1 72377712 KQWCQAFEGSKKHF-MRXNPFEDSA-N 427.505 3.631 0 40 IHAB O=C(c1cccc(-n2cccc2)c1)N1CCC[C@@H](c2cc(C(F)(F)F)n3ncnc3n2)C1 72393652 WYIDNBKJMOQKBE-MRXNPFEDSA-N 440.429 3.954 0 40 IHAB COCc1nnc(-c2cccc(C(=O)NCc3ccc(NC(=O)c4ccco4)cc3)c2)o1 95463626 LTXOOEXITRWREG-UHFFFAOYSA-N 432.436 3.658 0 40 IHAB CSCC[C@H](NCC(=O)N(C)Cc1c(F)cccc1Cl)c1nnc2ccccn12 95941208 JRFNSYHDYHZPEB-KRWDZBQOSA-N 435.956 3.564 0 40 IHAB CC1(C)C(=O)[C@]2(C(=O)Nc3cccc(NC(=O)[C@@]45CC[C@H](C4)C(C)(C)C5=O)n3)CC[C@H]1C2 100868151 GJPVJXBSUAHXIM-QGVMJEHXSA-N 437.540 3.749 0 40 IHAB CC(=O)c1ccc(NC(=O)c2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H]([C@H]6C[C@H]56)[C@@H]4C3=O)cc2)cc1 102530560 KAWRQJJFUFRVDG-AJIIZAQNSA-N 426.472 3.699 0 40 IHAB COc1ccc(-c2nc3n(n2)[C@@H](c2ccc(OC)c(OC)c2)[C@@H]2C(=O)CCC[C@H]2N3)cc1 104711111 QJIHSAQIHXCLAB-WTNAPCKOSA-N 434.496 3.724 0 40 IHAB CC(C)Oc1ccc(CNC(=O)COc2ccc(I)cc2)cc1 105892848 QNVFRPCTPHXRQR-UHFFFAOYSA-N 425.266 3.774 0 40 IHAB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)Nc1cccc(C(F)(F)F)c1 111882806 GAQUVRSDRFKNKI-GFCCVEGCSA-N 440.805 3.894 0 40 IHAB CC[C@H](C(=O)NCc1cccc(OC(C)C)c1)N(c1ccc(Cl)cc1)S(C)(=O)=O 113950178 YIJPATQJQGJVNT-HXUWFJFHSA-N 438.977 3.988 0 40 IHAB CCOc1ccc(N([C@@H](CC)C(=O)NCc2cccc(OC(C)C)c2)S(C)(=O)=O)cc1 220675976 NNHKICBLYDQCMF-QFIPXVFZSA-N 448.585 3.734 0 40 IHAB COc1ccc(CN(C(C)=O)[C@H](Cc2ccccc2)C(=O)NCCCOC(C)C)cc1 223260992 INLSOOKBFCQQOR-XMMPIXPASA-N 426.557 3.586 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC(=O)OC)c2ccc(Br)c(C)c2)cc1 224595811 GZOFINAVVQXCNV-UHFFFAOYSA-N 442.331 3.525 0 40 IHAB Cc1ccc(-c2nnc(NC(=O)[C@@H](C)N(c3cc(C)ccc3C)S(C)(=O)=O)s2)cc1 224769883 YQLNQPKFDHAOEW-MRXNPFEDSA-N 444.582 3.924 0 40 IHAB CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSCc1ccc(Br)cc1 225184970 FTXNARRMYYDUKK-HNNXBMFYSA-N 435.387 3.846 0 40 IHAB CCOc1ccccc1CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 225520321 OICIDYNTBXRVPO-OAQYLSRUSA-N 444.597 3.543 0 40 IHAB CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc2c(c1)OCO2 225572321 QWDXRIXRBNGSAQ-MRXNPFEDSA-N 430.932 3.943 0 40 IHAB C[C@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H]4C=C[C@@H](CC4)[C@@H]3C(=O)O)c2C(=O)NC2CC2)C1 225765174 IEZGPMAEFGGQJC-OTIOCJJCSA-N 428.554 3.617 0 40 IHAB CCS(=O)(=O)N1CCCC[C@@H]1c1nnc(C2CCN(Cc3ccccc3C)CC2)o1 257202844 ANQZFJYCKPDKBU-HXUWFJFHSA-N 432.590 3.634 0 40 IHAB Cc1nc([C@H]2CCN(C(=O)c3ccc(N(C)C)cc3)C2)nc2c1CCC(=O)N2CCC(C)C 257233111 GNWVCTGKIWQSNI-FQEVSTJZSA-N 449.599 3.806 0 40 IHAB CC[C@@H](C)C(=O)N1CCC[C@@H]1c1cc2nc(C)c(CCC(=O)N3CCCC3)c(C)n2n1 257257861 KRJZIZXNVPLOAK-IIBYNOLFSA-N 425.577 3.611 0 40 IHAB CNc1nc([C@H]2CCN(C(=O)C3(Oc4ccccc4)CCCCC3)C2)nc2c1CN(C)CC2 257289176 PXINOXYVFJPLQN-IBGZPJMESA-N 449.599 3.604 0 40 IHAB CN1CCC(NC(=O)C2(Cc3cccc(-c4ccnc(Cl)c4)c3)CCOCC2)CC1 257314692 UYBVZULBPPTWRG-UHFFFAOYSA-N 427.976 3.952 0 40 IHAB Cc1ccc(CSCCNC(=O)[C@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 408548159 PYQVZRDXEVNILC-IBGZPJMESA-N 434.627 3.816 0 40 IHAB O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl)Nc1cccc(F)c1 408553839 BKMRVJAPHZBSAK-UHFFFAOYSA-N 426.897 3.671 0 40 IHAB O=C(COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1Cl)N1CCCCC1 408593987 REDLHTNOYHMDKX-UHFFFAOYSA-N 426.897 3.671 0 40 IHAB CCOc1ccccc1NC(=O)COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 408627271 YYLRHQFCEPFRMX-UHFFFAOYSA-N 432.542 3.523 0 40 IHAB Cc1cccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC=C[C@H](C)[C@H]4C3=O)cc2)c1C 408670029 WWVJAAMRJBGGPV-LERMDLETSA-N 446.503 3.801 0 40 IHAB O=C(NC1CCN(Cc2ccc(F)c(F)c2)CC1)N1CCO[C@]2(CCc3ccccc32)C1 509732574 ZNTIDDUYOOZPAY-RUZDIDTESA-N 441.522 3.813 0 40 IHAB NC(=O)[C@H](Cc1ccc(F)cc1)Sc1nc2ccccc2c(=O)n1-c1ccccc1F 543152549 YYQXVTIQFCJWOI-FQEVSTJZSA-N 437.471 3.853 0 40 IHAB Cn1cc(-c2cc(CNS(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)ccn2)cn1 575617972 FWTQVOXUHHRTBX-UHFFFAOYSA-N 430.839 3.633 0 40 IHAB Cc1noc(C)c1CN1C[C@]2(COCCN(Cc3cccc(C(F)(F)F)c3)C2)CC1=O 585103470 CKHZGAOVRIIFKR-NRFANRHFSA-N 437.462 3.561 0 40 IHAB O=C(CNC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1)N1CCc2ccccc2C1 588205341 XJHFOJBMVFFSPA-VWLOTQADSA-N 425.532 3.929 0 40 IHAB C[C@H](O)C[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 673421615 IUMSSRJVGYZONK-UDTPNQRGSA-N 426.479 3.610 0 40 IHAB C[C@@H]1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H]2c2cccc(F)c2)C1 1693618350 YBVZUBLFDZUWKL-PDOICOKGSA-N 449.596 3.805 0 40 IHAB CCOc1ccc(-c2ccc(N3CCN(c4nc(C)nc5cnccc45)CC3)nn2)cc1 1888930309 VXARESSITRUAKB-UHFFFAOYSA-N 427.512 3.516 0 40 IHAB COc1cc(Br)c([C@H]2NC(=O)NC(C)=C2C(=O)OCCC(C)C)cc1OC 870705 RLBMFWBWYDIXTJ-QGZVFWFLSA-N 441.322 3.684 0 40 IHAB C/C(NCc1ccccc1C(F)(F)F)=C1/C(=O)NC(=O)N(c2ccc(C)cc2C)C1=O 1407446 MPSXMYGTQWZSGJ-NBVRZTHBSA-N 431.414 3.969 0 40 IHAB O=C(NCc1ccc(Cl)cc1Cl)c1ccc(S(=O)(=O)NCc2ccco2)cc1 3569894 ASURLRXLVRZQSI-UHFFFAOYSA-N 439.320 3.995 0 40 IHAB COc1ccccc1N1CCN(C(=O)CN(Cc2ccco2)Cc2cccs2)CC1 8192924 VJQFXPCBLJCXBH-UHFFFAOYSA-N 425.554 3.701 0 40 IHAB COC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(C)c3)C(=O)N2C2CCCC2)cc1 8591540 QMOBGFBACDPEHF-OAQYLSRUSA-N 449.507 3.890 0 40 IHAB CCN1CCc2c([nH]c3ccccc23)[C@H]1c1c(O)[nH]c(=O)n(-c2c(C)cc(C)cc2C)c1=O 9129171 HNJUAMIPPLKZFI-HSZRJFAPSA-N 444.535 3.605 0 40 IHAB CCOc1ccc(NC(=O)[C@@H]2Sc3nnc(CC)n3N[C@H]2c2ccc(F)cc2)cc1 9239314 KHBYPWIZBOQYLB-RBUKOAKNSA-N 427.505 3.776 0 40 IHAB COc1cc2c(cc1OC)CN(C(=O)Nc1ccc(C(=O)NCc3ccncc3)cc1)CC2 9419210 MJZSNYMEFRPYGZ-UHFFFAOYSA-N 446.507 3.619 0 40 IHAB biogenic CN(C)S(=O)(=O)c1ccc(NC(=O)CN(Cc2ccc(F)cc2)C2CCCCC2)cc1 9593813 YNYXLFLGRXCYES-UHFFFAOYSA-N 447.576 3.849 0 40 IHAB COc1ccc(C2=NN(C(=O)Cn3c(C)nc4ccccc4c3=O)[C@H](c3ccco3)C2)cc1 9594119 WZHAUXNSBAWHSK-QFIPXVFZSA-N 442.475 3.684 0 40 IHAB CCOC(=O)c1c(NC(=O)c2ccc(N(C)C)cc2)sc2c1CCN(C(=O)OCC)C2 9639307 FNBYKFHLCUCSFM-UHFFFAOYSA-N 445.541 3.758 0 40 IHAB O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCN(c2ccccc2O)CC1 9723875 OKVWYKGUGAZUFP-UHFFFAOYSA-N 425.492 3.602 0 40 IHAB Cc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 9974141 UNOIUMJKDNIVKN-HNNXBMFYSA-N 437.359 3.797 0 40 IHAB CCCCNC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Br)cc1 10119443 HMQBKEXYAPDIQV-UHFFFAOYSA-N 437.359 3.730 0 40 IHAB COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CSc1nccn1-c1cc(C)ccc1C 10880123 WVRPMWIRYBJLFH-NRFANRHFSA-N 435.549 3.708 0 40 IHAB Cc1cc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)ccc1F 11201190 KYJBMWFFVZIWSY-UHFFFAOYSA-N 444.572 3.730 0 40 IHAB O=C(Nc1nc(CCC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)c1cccs1 11796765 LHAXBXNGZJDZJS-UHFFFAOYSA-N 444.557 3.877 0 40 IHAB CC[C@H](Oc1cccc(OC)c1)C(=O)N1CCC[C@@H](c2nc3ccccc3cc2C(N)=O)C1 12241633 KNUOMRIKHSKOIQ-JPYJTQIMSA-N 447.535 3.906 0 40 IHAB NC(=O)c1c(NC(=O)CSc2nccn2-c2cccc(Cl)c2)sc2c1CCC2 12629300 YZVKLNZYHAOVCD-UHFFFAOYSA-N 432.958 3.906 0 40 IHAB Cc1cc(NC(=O)[C@@H]2CCC(=O)N2[C@@H]2OC(=O)c3ccccc32)ccc1Br 12662079 AKWHVGTZAXRADV-QFBILLFUSA-N 429.270 3.556 0 40 IHAB biogenic O=C(Nc1ccccn1)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 12755948 YDUXEQYXFAIADE-UHFFFAOYSA-N 432.299 3.897 0 40 IHAB O=C(c1ccccc1Cl)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 12787596 WODORLMUFNCTCL-UHFFFAOYSA-N 432.851 3.506 0 40 IHAB CCc1ccc(N(C(=O)c2csnn2)[C@H](C(=O)NC2CCCC2)c2cccnc2)cc1 12869653 GJHFTRBYXPGUOB-NRFANRHFSA-N 435.553 3.942 0 40 IHAB CC(C)(C)C(=O)COC(=O)c1ccccc1SCC(=O)Nc1ccc2c(c1)OCCO2 12911523 USAWKJYBXZZMDH-UHFFFAOYSA-N 443.521 3.961 0 40 IHAB CC(=O)NCc1ccc(-c2csc(NC(=O)CNC(=O)c3ccccc3Cl)n2)s1 12916648 VZYQIDRQFOLABR-UHFFFAOYSA-N 448.957 3.530 0 40 IHAB CC(C)N(C(=O)COC(=O)C[C@](O)(c1nc2ccccc2s1)C(F)(F)F)C(C)C 12997772 BEKVZZKPVHVKGY-SFHVURJKSA-N 432.464 3.625 0 40 IHAB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NC[C@@H](c3ccccc3)N(C)C)cc2)cc1 13096781 FKLWGJHZWRAXCY-QHCPKHFHSA-N 437.565 3.829 0 40 IHAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O 13113399 JPFCXYKTIZDQKH-RBZFPXEDSA-N 441.450 3.933 0 40 IHAB COc1ccc(OC)c(-c2ccc(N3CCN(C(=O)Nc4ccccc4F)CC3)nn2)c1 13665327 PJYMWRFSVJZGDT-UHFFFAOYSA-N 437.475 3.654 0 40 IHAB CSCC[C@H](C(=O)N[C@@H]1CCSc2ccc(F)cc21)N1C(=O)c2ccccc2C1=O 14226981 UIZTUEKYJJUPJD-QZTJIDSGSA-N 444.553 3.897 0 40 IHAB O=C(C[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1)NCc1c(F)cccc1F 15391045 OZNVMCFLYBNBSC-HNNXBMFYSA-N 442.915 3.868 0 40 IHAB O=C(CSc1ccccc1Br)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 16360622 KGNZTHBREUXHDI-HNNXBMFYSA-N 440.384 3.762 0 40 IHAB Cc1ccsc1CN(C(=O)c1ccccc1Br)[C@H]1CCS(=O)(=O)C1 16749675 KZULSVDJDOCZCF-ZDUSSCGKSA-N 428.373 3.649 0 40 IHAB COC(=O)CCCCCNC(=O)C1[C@H](c2ccccc2)C(C(=O)OC)[C@@H]1c1ccccc1 18068889 JNHLRGWIUHMBAL-KFGJODCASA-N 437.536 3.823 0 40 IHAB Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)CN4C(=O)CSC4=O)C3)c(-c3ccncc3)c2c1 19220242 YCQDLCOCFNLXFE-QGZVFWFLSA-N 448.548 3.940 0 40 IHAB O=C(C1CCCC1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(Cc1cccs1)CC2 19343567 USBMAXDGRCVXMD-HXUWFJFHSA-N 426.586 3.634 0 40 IHAB CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)C=C4CCN(C)CC4)C3)cc2n1 19452392 WJOBEKSBHCUEBE-MRXNPFEDSA-N 435.494 3.839 0 40 IHAB C[C@@H](CNC(=O)CN1CC2(CCOCC2)Oc2ccc(Cl)cc2C1=O)c1ccccc1 19456453 KGXYHZFQLAUAMS-KRWDZBQOSA-N 442.943 3.644 0 40 IHAB CCNC(=O)[C@]1(Cc2ccccc2-c2cccc(C)c2)CCN(C(=O)c2cnccn2)C1 19529107 KSGGHZYVPCZLBW-SANMLTNESA-N 428.536 3.663 0 40 IHAB COc1ccc(CNC(=O)c2cc(C3CCN(C(=O)c4ccccc4F)CC3)no2)cc1 19555869 NLTQTJZTSDYJDE-UHFFFAOYSA-N 437.471 3.772 0 40 IHAB CN(C)c1ncc(-c2ccc(F)cc2)c([C@@H]2CN(Cc3c[nH]nc3C(C)(C)C)CCO2)n1 19692994 XBDVQBVLBTUWCZ-FQEVSTJZSA-N 438.551 3.943 0 40 IHAB Cc1ccc([C@H]2CCCN2C(=O)Cn2cc(C(=O)NCc3ccccc3)ccc2=O)cc1C 19751657 HMZJAZLLAXQFKG-XMMPIXPASA-N 443.547 3.759 0 40 IHAB Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cc(F)ccc2C)cc1 19930913 HWNCNBZVHSXMJZ-JOCHJYFZSA-N 426.513 3.971 0 40 IHAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NCc2ccc(COCC(F)(F)F)cc2)c1 22487658 VIRPXSYFJKCROE-UHFFFAOYSA-N 437.418 3.612 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1ccc(Br)cc1 22519132 BXBNDTTVWOSCIZ-UHFFFAOYSA-N 432.299 3.897 0 40 IHAB CCC1CCC2(CC1)NC(=O)N(CN1CCN(Cc3cccc4ccccc34)CC1)C2=O 23257534 SFJYSMUNEZWMFQ-UHFFFAOYSA-N 434.584 3.806 0 40 IHAB COc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)cc1F 23735130 OBKDUSQQBADTKE-UHFFFAOYSA-N 448.541 3.647 0 40 IHAB O=C(/C=C/c1cnn(-c2ccccc2)c1)N1CCN(Cc2nc3ccccc3s2)CC1 23955849 XXHDKPBFZRXTNP-ZHACJKMWSA-N 429.549 3.840 0 40 IHAB COC(=O)c1cccc(OS(=O)(=O)c2cc(Cl)cc(Br)c2OC)c1 24263600 PWAZNYATNDBCTO-UHFFFAOYSA-N 435.679 3.665 0 40 IHAB COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@H](CN(C)C)c1ccccc1 24376009 MUKLVMQYUWKVCI-OAHLLOKOSA-N 447.782 3.692 0 40 IHAB O=S(=O)(c1ccccc1)N(C[C@@H](O)COc1ccccc1)c1nc2ccccc2s1 24829597 KBZVIPDOZFFCDH-QGZVFWFLSA-N 440.546 3.932 0 40 IHAB C[C@@H](NC(=O)COC(=O)CCC(=O)c1ccc2c(c1)CCCC2)c1ccc2c(c1)OCO2 25102752 MXONSFKDHOFDAY-MRXNPFEDSA-N 437.492 3.678 0 40 IHAB COc1ccc(-c2c[n+](-c3c(C)n(C)n(-c4ccccc4)c3=O)c3n2CCCCC3)cc1 27525035 VEBVTAOXLFUBAV-UHFFFAOYSA-N 429.544 3.965 0 40 IHAB Cc1nc(CN2CCN(C(=O)c3cccc(NC(=O)c4cccs4)c3)CC2)cs1 28959870 ZRVULVUDAXDLMZ-UHFFFAOYSA-N 426.567 3.723 0 40 IHAB CS(=O)(=O)c1ccccc1C(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 29695849 HYZGGLSHWFYIEO-UHFFFAOYSA-N 431.517 3.873 0 40 IHAB Cc1ccc(OCC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)c(Br)c1 31493845 NNCYKGFMPLPNEF-UHFFFAOYSA-N 447.377 3.707 0 40 IHAB Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 32250021 FHJGTWQPTSBJHL-SFHVURJKSA-N 425.916 3.934 0 40 IHAB COc1cc(C(=O)N2CCC[C@H](c3nnc4ccccn34)C2)cc(OC)c1Br 32830600 IEGYELXHIHPTBC-ZDUSSCGKSA-N 445.317 3.529 0 40 IHAB CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 33667546 PBCPODWKWSWLRO-RMKNXTFCSA-N 442.903 3.959 0 40 IHAB CC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)N(Cc3ccco3)C3CC3)o2)c1 35597595 ZOUUEFJKGAPHEB-UHFFFAOYSA-N 428.466 3.681 0 40 IHAB O=C(CSc1nccc(=O)[nH]1)Nc1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1 35655341 FUDVAWAFEPHOGZ-UHFFFAOYSA-N 438.553 3.656 0 40 IHAB COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](C(=O)c2ccco2)N2C=Cc4ccccc4[C@@H]32)cc1 35840502 RWNHVTYCERGCSB-BJESRGMDSA-N 440.455 3.687 0 40 IHAB C[C@H](NS(=O)(=O)c1ccccc1)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1 36370264 PJYXONGMKTZDLZ-CVDCTZTESA-N 441.622 3.978 0 40 IHAB COc1ccccc1OCc1ccc(C(=O)Nc2ccc(CCN3CCOCC3)cc2)o1 40157060 SWOMFFNBBRIHOE-UHFFFAOYSA-N 436.508 3.994 0 40 IHAB O=C(O)[C@@H](Cc1ccccc1)n1ccc2c(nnc3c(-c4ccc(Cl)cc4)cnn32)c1=O 40392446 NVDJSCOTWKEPQP-LJQANCHMSA-N 445.866 3.628 0 40 IHAB COc1ccc(-c2nnc3sc(NC(=O)[C@@H](C)Oc4cccc(C)c4)nn23)cc1OC 41108749 WVSAWRJFZRHGMC-CYBMUJFWSA-N 439.497 3.584 0 40 IHAB C[C@H]1C[C@H](C)CN(Cc2ccccc2CNC(=O)c2ccc(CS(C)(=O)=O)cc2)C1 48344581 ZZQZEOSPTSJZGI-OALUTQOASA-N 428.598 3.639 0 40 IHAB CCOc1cc(C(=O)OCC(=O)N[C@H](C)c2ccc(OC)cc2)cc(OCC)c1OCC 51356516 HEIAEOKCCALMNT-MRXNPFEDSA-N 445.512 3.926 0 40 IHAB CC(C)COC(=O)N1CCCN(C(=O)c2ccccc2NC(=O)c2cccs2)CC1 58311039 WRBVBSCRMDVBBN-UHFFFAOYSA-N 429.542 3.941 0 40 IHAB CC(=O)Nc1ccc(NC(=O)Cn2ccc3ccn(Cc4ccccc4F)c3c2=O)cc1 62007380 DGDFSZDKYKABAB-UHFFFAOYSA-N 432.455 3.588 0 40 IHAB CN(C)Cc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)cc1 65614860 KENPWTLHNAMDGH-FQEVSTJZSA-N 434.367 3.976 0 40 IHAB CCOc1ncc([C@]2(O)CCC[C@@H]3CN(Cc4ccc(F)c(F)c4)C[C@@H]32)c(OCC)n1 72343036 CJBITCUMRHTKEM-WLENULPWSA-N 433.499 3.672 0 40 IHAB COc1ccc(Cc2cc(C)nc([C@H]3CCCN(CC(=O)NCc4ccccn4)C3)c2)cc1 72353963 ZRTJPGSXJPWUTH-QHCPKHFHSA-N 444.579 3.880 0 40 IHAB Cc1ccc(C2(CN3CCC(NC(=O)C[C@@H]4CCS(=O)(=O)C4)CC3)CCCCC2)cc1 72393587 PWWRYBKXQQCMHK-NRFANRHFSA-N 446.657 3.602 0 40 IHAB COc1ccc2c(c1)C(=O)NCC1(CCN(C(=O)c3oc(C(C)(C)C)cc3C)CC1)O2 72393684 GQCAVPGENSVLQW-UHFFFAOYSA-N 426.513 3.691 0 40 IHAB CCc1nc2cc(NC(=O)c3ccc4ncc(I)n4c3)ccc2o1 79018177 SNSMBTNRVDMSGL-UHFFFAOYSA-N 432.221 3.895 0 40 IHAB CN(C(=O)c1ccc2c(c1)CCO2)[C@H]1CCCC[C@H]1N(C)C(=O)c1ccc2c(c1)CCO2 89334944 YPXJYXUBNSHYSB-SZPZYZBQSA-N 434.536 3.712 0 40 IHAB COc1ccc(CCc2n[nH]c(NC(=O)c3cc(-c4ccccc4Cl)nn3C)n2)cc1 95477278 AELSMFFRAXPJLN-UHFFFAOYSA-N 436.903 3.905 0 40 IHAB CC(C)C(=O)N1CCc2nc3cc([C@H]4CCCCN4C4CCCCC4)nn3c(O)c2C1 100243169 HBKMSTSPHMNOFG-OAQYLSRUSA-N 425.577 3.835 0 40 IHAB COc1ccc(OC)c(NC(=O)[C@@H](C)N(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c1 220428320 WLDOPOWQQWPTTE-LLVKDONJSA-N 447.340 3.804 0 40 IHAB COC(=O)c1cccc(NC(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)c1C 222532887 YOJIQYZTIRVYDX-UHFFFAOYSA-N 438.505 3.859 0 40 IHAB CCc1cccc(CC)c1NC(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 222671724 DQGUOZUZOFHURZ-UHFFFAOYSA-N 446.569 3.768 0 40 IHAB Cc1ccc(N([C@@H](C)C(=O)NCCOc2ccccc2C(C)C)S(C)(=O)=O)cc1C 223765365 KMAKAFDEEQHNLH-IBGZPJMESA-N 432.586 3.777 0 40 IHAB Cc1cc(C)cc(OCCNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)c1 224079462 XPARZSQCRXCMJM-UHFFFAOYSA-N 436.961 3.550 0 40 IHAB COc1ccccc1[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(SC)cc2)CC1 224191538 CEFORPIKYFLOIM-INIZCTEOSA-N 448.610 3.695 0 40 IHAB CC[C@H](NC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O)c1ccc(OC)c(C)c1 225481844 SPARAHQNBKLJGP-FQEVSTJZSA-N 436.549 3.956 0 40 IHAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)Cc1ccc(OC)cc1 225542940 GUBPLFXAHCESRT-VWLOTQADSA-N 430.548 3.932 0 40 IHAB COc1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)C)cc1OC 225590381 HEVXBHLZRXFDRD-KRWDZBQOSA-N 430.520 3.717 0 40 IHAB O=C(c1cccs1)N1CCc2nc([C@H]3CCCN(C[C@@H]4CC=CCC4)C3)nc(O)c2C1 247958416 WKAOEZGAOOTWFQ-MSOLQXFVSA-N 438.597 3.978 0 40 IHAB COc1ccc(/C=C/C(=O)N2CC[C@H](Oc3ccc(Br)cn3)C2)cc1OC 253475204 PWWAXVBTCYYALG-YCOJEUHLSA-N 433.302 3.554 0 40 IHAB CC(C)(CC(=O)O)CC(=O)N1CCC[C@@H]2O[C@@H]3c4cccc(O)c4OC(C)(C)[C@H]3C[C@@H]21 257281141 ONVCTGZYAKJDOC-ROWPZFDLSA-N 431.529 3.891 0 40 IHAB O=C1N(Cc2ccncc2)CCO[C@]12CN(Cc1ccccc1Cl)C[C@@H]2c1cccnc1 306137471 QXHLOHRQTQHRIS-RDGATRHJSA-N 448.954 3.527 0 40 IHAB COc1ccc(C)cc1NC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(C)(=O)=O 408623383 QKPOCABIEDAJFV-UHFFFAOYSA-N 431.341 3.711 0 40 IHAB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1)Nc1ccc(Cl)cc1 408658595 LHXWMWWYBIMAPX-KDURUIRLSA-N 438.867 3.591 0 40 IHAB Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@H]4C3=O)c2)cc1 408663821 OXNWBVOLQLISGW-MAODMQOUSA-N 434.492 3.716 0 40 IHAB CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1[C@H](C)NC(=O)c1ccccc1 409131962 QAIUGVZWDXCSQT-AWEZNQCLSA-N 427.505 3.659 0 40 IHAB Cc1cccc(COc2ccc(/C=C3/NC(=O)N(C)C3=O)cc2I)c1 409191242 FEKXYRXHFKYQNG-MHWRWJLKSA-N 448.260 3.701 0 40 IHAB CN(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 409310826 CAQKBEHCWDUORO-UHFFFAOYSA-N 438.549 3.545 0 40 IHAB CCCCCNC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 409336325 ROSJCNWGLYKEPP-UHFFFAOYSA-N 448.585 3.822 0 40 IHAB CC(C)(NC(=O)c1cccc(F)c1)C(=O)N1CCOC[C@@H](Cc2ccc3ccncc3c2)C1 585262055 AIJBNDDUAFHSBW-IBGZPJMESA-N 449.526 3.600 0 40 IHAB CC(C)(C)OC(=O)N1C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@H](CN)C1 953076270 KTHAKJUFPSWFNE-OPAMFIHVSA-N 437.540 3.719 0 40 IHAB CCC(CC)C(=O)Nc1ncc2c(n1)C[C@H](c1cc(OC)c(OC)c(OC)c1)CC2=O 2333638 BLDGYPGCAMDUIE-AWEZNQCLSA-N 427.501 3.790 0 40 IHAB Nn1c(Cc2cccc3ccccc23)nnc1SCC(=O)N1CCCc2ccccc21 3297498 MDCKJOMWCMTIQY-UHFFFAOYSA-N 429.549 3.807 0 40 IHAB Cc1c(Cl)cnc(NC(=O)COC(=O)C[C@@H]2Sc3ccccc3NC2=O)c1Cl 3352082 NZQOIFKXZXGLLL-ZDUSSCGKSA-N 440.308 3.682 0 40 IHAB Cc1ccc(NC(=O)CN(C)C(=O)COc2ccc(C(=O)c3ccc(F)cc3)cc2)cc1 3427634 PZJURAQRLPSVOO-UHFFFAOYSA-N 434.467 3.841 0 40 IHAB O=c1ccc(-c2ccc(Cl)cc2)c2n1C[C@H]1C[C@@H]2CN(S(=O)(=O)c2ccccc2)C1 4237397 UGNNCSWFNQTWQB-FUHWJXTLSA-N 440.952 3.977 0 40 IHAB biogenic,in-vitro COc1cccc(C(=O)Nc2ccc(C(=O)OCc3cc(=O)n4cc(C)sc4n3)cc2)c1 8607199 MFUMTETWWJZKHY-UHFFFAOYSA-N 449.488 3.682 0 40 IHAB Cc1ccc2c(c1)N(CC(=O)N(Cc1ccccn1)Cc1ccco1)C(=O)[C@H](C(C)C)O2 8680008 UPWUOCNVPLQUKN-DEOSSOPVSA-N 433.508 3.962 0 40 IHAB O=C1c2[nH]nc(-c3ccccc3O)c2[C@H](c2ccc(OCc3ccccc3)cc2)N1CCO 8845659 DPKDVOXJQCSEAE-VWLOTQADSA-N 441.487 3.899 0 40 IHAB CC(=O)c1cc(CCC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)oc1C 8965540 XFVHBYVJEBMLBY-UHFFFAOYSA-N 432.542 3.927 0 40 IHAB CCN(CC)CCn1c(SCC(=O)c2cc(F)ccc2F)nc2ccccc2c1=O 9119532 AHBXAGQWDMBOOH-UHFFFAOYSA-N 431.508 3.992 0 40 IHAB CC(=O)COC(=O)CCc1nc2cc(C(F)(F)F)ccc2n(Cc2ccccc2)c1=O 9195654 JZJSKSOAAFCMDV-UHFFFAOYSA-N 432.398 3.528 0 40 IHAB CCOc1ccc([C@H]2Nn3c(nnc3-c3ccccc3)S[C@H]2C(=O)N(CC)CC)cc1 9238475 TZJCQTPOHJIBBK-WOJBJXKFSA-N 437.569 3.971 0 40 IHAB COc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(NCCCn3ccnc3)o2)cc1 9285114 DEQWKYYLMHGBOW-UHFFFAOYSA-N 438.509 3.882 0 40 IHAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCc3sccc3[C@@H]1c1cccs1)C2=O 9377219 RTDVZCSPTZOIPD-JSVDNDDVSA-N 443.594 3.784 0 40 IHAB O=C(c1ccc(F)cc1)[C@@H]1[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2[C@H]2CCCN12 9487748 XCJDYDWRJGYROE-YRXWBPOGSA-N 447.293 3.968 0 40 IHAB CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccc(OC)c(Cl)c2)CC1 9908001 XTYQQSSOXJEHHD-UHFFFAOYSA-N 431.920 3.529 0 40 IHAB O=C(c1sccc1-c1ccccc1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 9915916 HLXXCRBJHPORLD-UHFFFAOYSA-N 448.516 3.840 0 40 IHAB Cc1ccc(Br)c(NS(=O)(=O)c2cccc(C(=O)Nc3ccn(C)n3)c2)c1 9955927 OYRJFDMTMBGAPP-UHFFFAOYSA-N 449.330 3.544 0 40 IHAB C[C@@H](CCc1ccccc1)NC(=O)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 10008749 JWUXAQZYLCWNGZ-NRFANRHFSA-N 442.625 3.799 0 40 IHAB COc1ccc(N([C@H](C)C(=O)Nc2cc(Cl)ccc2OC)S(C)(=O)=O)cc1Cl 10332907 ZYASJUQFSUQRIK-LLVKDONJSA-N 447.340 3.804 0 40 IHAB O=C(CSC1=NCCS1)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl 10863295 DXOLACVHQOYIGJ-UHFFFAOYSA-N 448.035 3.679 0 40 IHAB CC1=C(C(=O)Nc2cc(C)on2)[C@@H](c2ccc(F)c(Br)c2)NC(=S)N1C 11204620 HCOTWBOMWWFUKN-OAHLLOKOSA-N 439.310 3.658 0 40 IHAB CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)Nc1nc2cc3c(cc2s1)OCCO3 11751594 OHYNDKIZHSBADB-GOSISDBHSA-N 429.473 3.600 0 40 IHAB COCCN1C(=O)CC[C@H]1CCNc1ncc(-c2cccs2)c(-c2nccs2)n1 12327150 SKERMFRGYGAVIO-AWEZNQCLSA-N 429.571 3.768 0 40 IHAB CCC(=O)N(c1nnc(SCC(=O)N2CC=C(c3ccccc3)CC2)s1)C1CC1 12844711 YSQBMZSFVGQIIU-UHFFFAOYSA-N 428.583 3.852 0 40 IHAB O=C(NCCC(=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1)Nc1ccccc1 12899101 ONZRJCYXVGRSGN-UHFFFAOYSA-N 434.462 3.561 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N(C)Cc1ccc(C)cc1 12914573 DZISBOWMQATQIK-UHFFFAOYSA-N 430.570 3.841 0 40 IHAB CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 12932602 OIBCNRKILKAZMA-SFHVURJKSA-N 429.567 3.640 0 40 IHAB Cc1nc(Cc2nnc(S[C@H](C)C(=O)N3c4ccccc4NC(=O)C3(C)C)o2)cs1 13126982 VHWJEHGAZCRHMV-LLVKDONJSA-N 443.554 3.670 0 40 IHAB Cc1ccc(C)c(C(=O)c2ccccc2C(=O)OCC(=O)NC(=O)NCc2ccccc2)c1 13149523 LUFHTIMCDWYORT-UHFFFAOYSA-N 444.487 3.717 0 40 IHAB COc1ccc(-c2nnn(CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)n2)cc1OC 13424051 LFADUYRSKGJRBG-UHFFFAOYSA-N 441.797 3.668 0 40 IHAB CS(=O)(=O)Nc1nc2ccc(C(=O)Nc3cccc(Br)c3)cc2s1 13693119 QAPLVPVEOFNBFL-UHFFFAOYSA-N 426.317 3.683 0 40 IHAB CCS(=O)(=O)N(CC(=O)Nc1c(Cl)cccc1Cl)c1ccc2c(c1)OCCO2 14398466 YDSXTSRLRYHQEN-UHFFFAOYSA-N 445.324 3.559 0 40 IHAB COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)cc1F 15092249 PQYRXOPWDAQGTM-IYBDPMFKSA-N 434.533 3.682 0 40 IHAB C[C@H]1Cc2ccccc2N1C(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 15584350 JTAKMCCVLUGHHX-ARFHVFGLSA-N 448.972 3.729 0 40 IHAB C[C@H]1CN(S(=O)(=O)c2cc(C(=O)N3c4ccccc4C[C@@H]3C)ccc2Cl)C[C@@H](C)O1 15584353 JTAKMCCVLUGHHX-HRCADAONSA-N 448.972 3.729 0 40 IHAB CCCNC(=O)[C@@H](C)Sc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCC3 15849533 YVYDIXIMRRHZDQ-CYBMUJFWSA-N 443.594 3.951 0 40 IHAB Cc1cccc(OCCN(C)C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)c1 16147964 ZSKXXHSUPTWCSY-UHFFFAOYSA-N 436.961 3.584 0 40 IHAB CCc1ccccc1NC(=O)CN(CC)S(=O)(=O)c1ccc(Br)cc1 16162462 JBVLVFSDJOWSOS-UHFFFAOYSA-N 425.348 3.661 0 40 IHAB COC(=O)c1c(NC(=O)CN(C)CC(=O)Nc2c(C)cccc2C)sc2c1CCCC2 16625367 GTPNQMJHHGXBPW-UHFFFAOYSA-N 443.569 3.539 0 40 IHAB Cc1cc(C)c(NC(=O)CSc2n[nH]c(=O)c3cc(-c4ccc(F)cc4)nn23)c(C)c1 16841867 QDIPQGQIEGMRKT-UHFFFAOYSA-N 437.500 3.880 0 40 IHAB COc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2cc(C)cc(C)c2)cc(OC)c1OC 17014949 KJRNHFZVJFXHIB-FQEVSTJZSA-N 441.553 3.761 0 40 IHAB O=C(COc1ccc(Cl)cc1)NCCc1csc2nc(-c3ccccc3F)nn12 17178025 FESPBCUDRPWDLF-UHFFFAOYSA-N 430.892 3.988 0 40 IHAB COC(=O)C1CCN(C(=O)CN(C)Cc2ccc(-c3ccc(Br)cc3)o2)CC1 18939281 UQXFPAADMIHWQK-UHFFFAOYSA-N 449.345 3.553 0 40 IHAB COc1ccc(CC(=O)N2CCC[C@H]2c2nc(N(C)C)ncc2-c2cc(C)no2)cc1F 19122349 AKGHXTFMYKHNEM-SFHVURJKSA-N 439.491 3.560 0 40 IHAB O=C(C1CC1)N1CCc2cc([C@@H](O)CN3CCC[C@@](O)(c4ccc(F)cc4)CC3)ccc21 19332946 IWAYUNFKXVQRMW-AHWVRZQESA-N 438.543 3.532 0 40 IHAB CCN(CC)S(=O)(=O)N1CCC(c2cc(Cc3cccc(OC)c3)cc(C)n2)CC1 19691673 ZRNSLGWYFFABAK-UHFFFAOYSA-N 431.602 3.755 0 40 IHAB CNC(=O)C1(Cc2ccccc2-c2ccccc2C)CCN(C(=O)c2cnccn2)CC1 19700041 NIFZKIAMTQYWEU-UHFFFAOYSA-N 428.536 3.663 0 40 IHAB CC(C)NC(=O)c1sc2ncccc2c1[C@@H]1CN(C(=O)CCc2ccccc2)CCO1 19703169 AIBMLGYHRZNTOC-IBGZPJMESA-N 437.565 3.967 0 40 IHAB O=C(Nc1nccs1)c1cc([C@H]2CN(C(=O)c3cccnc3)CCO2)nc2ccccc12 19753946 XQGBBYOHQKIGQK-HXUWFJFHSA-N 445.504 3.552 0 40 IHAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C)cc2)cc1I 20460161 HWLKKHIAVSBBTH-LBPRGKRZSA-N 431.295 3.648 0 40 IHAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1Cl 22539394 OQELIWVLYDFNKS-HOTGVXAUSA-N 438.977 3.818 0 40 IHAB O=C(COc1ccc(Cl)cc1)N(CCN1CCOCC1)c1nc2c(F)cccc2s1 22998301 PSRVJAACMVSVLY-UHFFFAOYSA-N 449.935 3.833 0 40 IHAB CCCn1c(S[C@H](C)C(=O)c2c[nH]c3ccccc23)nc2cc(S(N)(=O)=O)ccc21 23044123 NFMWLVPRSOBIHX-CYBMUJFWSA-N 442.566 3.939 0 40 IHAB O=C(Cn1nc2c(c1NC(=O)c1ccccc1Cl)CSC2)NCCc1ccccc1 23139694 YKCKYHMKDWRITD-UHFFFAOYSA-N 440.956 3.895 0 40 IHAB CC(=O)c1ccc(N2CCN(C(=O)c3ccc(NC(=O)c4ccco4)s3)CC2)c(F)c1 23700583 KNUWQVJCPKIGEP-UHFFFAOYSA-N 441.484 3.898 0 40 IHAB COc1cccc(CN(C)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c1OC 23995973 MGUAWTKXHSRITG-UHFFFAOYSA-N 445.519 3.589 0 40 IHAB O=C(Cc1csc(-c2ccsc2)n1)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 24179797 XSBJDZVBOQBZGN-UHFFFAOYSA-N 441.578 3.530 0 40 IHAB CSc1cccc(NC(=O)COC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)c1 24223987 GHHFVVPOAFOKKD-UHFFFAOYSA-N 427.526 3.834 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)N(C)Cc3ccsc3)cc2)cc1 24383851 GRHPTUACEBMMEG-UHFFFAOYSA-N 444.578 3.919 0 40 IHAB C[C@@H](NC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21)c1ccc(Cl)c(Cl)c1 27100766 VXZQVAREPXPILE-GFCCVEGCSA-N 440.352 3.765 0 40 IHAB O=C(CCc1ccc(-c2ccccc2)o1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 30958246 YRJWURSTFBAQNE-UHFFFAOYSA-N 442.512 3.551 0 40 IHAB O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)NCc1ccc(Cn2cncn2)cc1 31538434 HJTRFSUAUYCJJH-UHFFFAOYSA-N 436.903 3.669 0 40 IHAB C[C@H](Oc1cccc(C(=O)NCc2ccccc2)c1)C(=O)Nc1ccc2c(c1)OCCO2 32957538 FZYYASNTSUFXQV-KRWDZBQOSA-N 432.476 3.794 0 40 IHAB CCn1c(SCC(=O)Nc2ccccc2C)nc2c3cc(OC)ccc3n(C)c2c1=O 33287499 YAQALJZLFURRCA-UHFFFAOYSA-N 436.537 3.956 0 40 IHAB O=C(NCCc1ccc(Cl)cc1)c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1 33325390 SIIISKQWSIOFFO-INIZCTEOSA-N 449.985 3.597 0 40 IHAB CCn1nnc(NC(=S)NC(=O)/C=C/c2ccc(-c3cccc(Cl)c3Cl)o2)n1 35419899 IPGUZMHTCJUWCX-VQHVLOKHSA-N 437.312 3.786 0 40 IHAB COC(=O)c1cc(Cc2ccccc2)sc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)O 35897697 AZZQOIYZQRYBDE-OHQAAIJDSA-N 425.506 3.977 0 40 IHAB Cc1nn(-c2ccccc2)c(Cl)c1CS(=O)(=O)CCC(=O)Nc1ccc(F)cc1 40127564 CGGUFLZERHZFIS-UHFFFAOYSA-N 435.908 3.917 0 40 IHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(-n2ccnc2SC)cc1 40140454 OSASWSBPINHGTR-UHFFFAOYSA-N 427.482 3.650 0 40 IHAB CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCC2)c1 48272446 SIHDBUSYOKNSGB-UHFFFAOYSA-N 441.336 3.885 0 40 IHAB CC(=O)Nc1c(-c2ccccn2)nsc1C(=O)N1CCN(c2cccc(Cl)c2)CC1 49007682 SPIFEWDIGBJLFI-UHFFFAOYSA-N 441.944 3.779 0 40 IHAB Cc1nc(-c2cccc(NC(=O)CN3CCN(c4ccc5c(c4)OCO5)C3=O)c2)cs1 49389374 HOHPSKZXCJDFBD-UHFFFAOYSA-N 436.493 3.728 0 40 IHAB CCCOc1ccc(C(=O)N2CCN(c3ccc(-n4cnnc4)cc3Cl)CC2)cc1 57354566 PMNAJBSTZHNNLY-UHFFFAOYSA-N 425.920 3.672 0 40 IHAB CC(C)CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(C(F)(F)F)cc2)c1=O 57526189 CLVQWGQIUSJEDV-UHFFFAOYSA-N 433.430 3.867 0 40 IHAB CN(C(=O)CSc1nc(O)c2c(n1)CCN(Cc1ccc(F)cc1)C2)c1ccccc1 67291543 GHSMAQWXXQQOPR-UHFFFAOYSA-N 438.528 3.635 0 40 IHAB O=C(O)[C@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1ccc2ccccc2c1 71980625 HYCVXVBXYUECLO-HSZRJFAPSA-N 430.504 3.758 0 40 IHAB Cc1cc(-c2cc(=O)n(CC(=O)N[C@@H]3CCCC[C@@H]3C)nc2-c2ccc(C)s2)on1 72337631 GRMIRHOCFACTRF-SUMWQHHRSA-N 426.542 3.939 0 40 IHAB COc1cc(C(=O)NCCn2ccc3ccc(Br)cc32)cc(OC)c1OC 72402048 LVXDJUYWZLJZTL-UHFFFAOYSA-N 433.302 3.860 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)N[C@@H](CC(C)C)c2nc(-c3nc[nH]n3)no2)cc1 96006811 NXTGFVBSDQUWOZ-INIZCTEOSA-N 441.492 3.721 0 40 IHAB CN(C)C1CCN(C(=O)c2cc(-c3csc(-c4cnccn4)n3)n3ccccc23)CC1 96154849 UXCQPZZFKXGXDD-UHFFFAOYSA-N 432.553 3.686 0 40 IHAB CC[C@H](C(=O)Nc1cc(Cl)ccc1OC)N(c1ccc(OC)cc1)S(C)(=O)=O 220643068 PUBNUYQQXYOKAT-QGZVFWFLSA-N 426.922 3.541 0 40 IHAB CCOCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(Cl)cc1 222998486 PKKFEWVDOAAHBA-GOSISDBHSA-N 446.975 3.851 0 40 IHAB COc1ccc(OC)c(N(CC(=O)NCC2=CCCCC2)S(=O)(=O)c2ccccc2)c1 223492516 UWTCJJMUSDRRGH-UHFFFAOYSA-N 444.553 3.516 0 40 IHAB C[C@H](C(=O)NCCOc1ccc2ccccc2c1)N(c1cccc(Cl)c1)S(C)(=O)=O 223604386 RFMWIDCHFPKMKK-MRXNPFEDSA-N 446.956 3.843 0 40 IHAB CC(C)c1ccccc1OCCNC(=O)CCCN(c1ccccc1F)S(C)(=O)=O 223824263 FOMNIBQWDMKKCK-UHFFFAOYSA-N 436.549 3.691 0 40 IHAB CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(Cl)cc1Cl 223965580 OXNUIMGEWOIGNB-CQSZACIVSA-N 439.339 3.934 0 40 IHAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1cccc(C(F)(F)F)c1 224422087 RYAZMGHRYGFLEP-UHFFFAOYSA-N 430.448 3.536 0 40 IHAB Cc1ccccc1CSCCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 225518713 SBDKVCNYNRAVBW-UHFFFAOYSA-N 430.595 3.506 0 40 IHAB O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC(N2CCc3sccc3C2)CC1 225690198 YHVMTGAAWRCIHP-UHFFFAOYSA-N 446.516 3.858 0 40 IHAB Cc1ccc(Cl)cc1N1CCN(C(=O)Cn2ccc(=O)c3cc(Cl)ccc32)CC1 225724493 NILPUBBAXKANKW-UHFFFAOYSA-N 430.335 3.966 0 40 IHAB C[C@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H]4C=C[C@@H](CC4)[C@@H]3C(=O)O)c2C(=O)NC2CC2)C1 225765227 IEZGPMAEFGGQJC-DNJOTXNNSA-N 428.554 3.617 0 40 IHAB Cc1ccc2c(c1)OC(C)(C)[C@H]1CC3(CO[C@H]21)CN(C(=O)CCCNc1ncccn1)C3 257223863 DZGHDVPCZNTIJC-SIKLNZKXSA-N 436.556 3.755 0 40 IHAB O=C(CCc1[nH]nc2c1CCCC2)N1CCO[C@H](c2cccc(Cc3ccc(F)cc3)n2)C1 257226849 FMKVUCMBRNBTSZ-VWLOTQADSA-N 448.542 3.946 0 40 IHAB COc1cccc(Nc2cc(C)nc([C@H]3CCN(S(=O)(=O)c4c(C)noc4C)C3)c2)c1 257267156 MGEDTFDJSQNIOQ-KRWDZBQOSA-N 442.541 3.925 0 40 IHAB COc1cccc(-c2nccc([C@H]3CCCN3C(=O)c3ccnc(-c4cnn(C)c4)c3)n2)c1 257286365 PLHSAHBEXAVIFS-HSZRJFAPSA-N 440.507 3.925 0 40 IHAB COc1cccc(N(C)CCC(=O)N2CCC[C@@H](c3cccc(Nc4cnccn4)n3)C2)c1 257312356 UNOHTHFWAKWREC-LJQANCHMSA-N 446.555 3.856 0 40 IHAB COc1ccc(F)cc1-c1ccc(CC2(C(=O)N3CCC(O)CC3)CCOCC2)cc1 257334788 YHKDRJGIKHIUJW-UHFFFAOYSA-N 427.516 3.824 0 40 IHAB COC(=O)CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3cccc(C)c3)c(Cl)c2)C1=O 408548020 BXKHRNLHHOXLFC-RQZCQDPDSA-N 449.290 3.947 0 40 IHAB COC(=O)c1ccccc1N(CN1C(=O)c2ccccc2C1=O)C(=O)c1ccc(C)cc1 408838898 JVMYGBXJDGRLIR-UHFFFAOYSA-N 428.444 3.682 0 40 IHAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 409334408 XMSCKIIRYOMMCP-UHFFFAOYSA-N 438.552 3.667 0 40 IHAB Cc1cc(C)cc(N([C@H](C)C(=O)NCCSCc2ccccc2C)S(C)(=O)=O)c1 409411606 XVXYELPZWWQNOP-LJQANCHMSA-N 434.627 3.816 0 40 IHAB Cc1cccc(-c2ccc(CNC(=O)NCc3ccc([C@@]4(C)NC(=O)NC4=O)cc3)cc2)c1 524590870 UBEMPRJTAWLWPX-AREMUKBSSA-N 442.519 3.716 0 40 IHAB Cc1cc(C(=O)NC[C@@H]2CC3c4ccccc4C2c2ccccc23)nc2nc(O)nc(O)c12 524865046 NJEJAQVHYRVGRX-YGXOJQJDSA-N 438.487 3.772 0 40 IHAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc2c(cc1F)N(C)S(=O)(=O)N2C 575611456 FTJNGLTVTVZLGM-SECBINFHSA-N 448.303 3.669 0 40 IHAB CCN1CCOc2ccccc2CCCC[C@]2(CN(C(=O)c3ccccc3)CCO2)C1=O 643556837 OEBMLDJDZQFVBO-SANMLTNESA-N 436.552 3.552 0 40 IHAB CN1Cc2ccccc2[C@@H](NC(=O)c2sc(N3CCOCC3)nc2-c2ccccc2)C1 685045217 SPEFHXZSEHFFMH-FQEVSTJZSA-N 434.565 3.563 0 40 IHAB CN(C)C(=O)[C@H]1CCN(C(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccc(F)cc23)C1 1528855466 JAIJMLATNUJOCS-INIZCTEOSA-N 425.479 3.982 0 40 IHAB COc1cc2c(cc1OC)n(Cc1ccc(F)cc1)c(=O)n1nc(-c3ccccc3)nc21 1889090958 ARZFOLVNBSJYJD-UHFFFAOYSA-N 430.439 3.916 0 40 IHAB Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)c(C)c1 682497 XWZTYHHDLMKELD-UHFFFAOYSA-N 440.525 3.529 0 40 IHAB CNC(=S)N(Cc1ccc(OC)cc1OC)c1ccc(I)cc1 1079299 KGZDQYMNZZRKMJ-UHFFFAOYSA-N 442.322 3.819 0 40 IHAB Cc1ccc(N(C(=O)c2csnn2)[C@@H](C(=O)NC2CCCC2)c2cccnc2)c(C)c1 1357410 JINPFDNYENDFAB-OAQYLSRUSA-N 435.553 3.997 0 40 IHAB Cc1c(CC(=O)N2CCC(C(N)=O)CC2)c(=O)oc2c(C)c3occ(C(C)(C)C)c3cc12 2125912 XGICGWXVAMCVRZ-UHFFFAOYSA-N 438.524 3.720 0 40 IHAB biogenic COCCNC(=O)c1nn2c(c1Br)N[C@H](c1ccccc1)C[C@H]2C(F)(F)F 2301785 RZODMPHKMWQQHB-RYUDHWBXSA-N 447.255 3.682 0 40 IHAB O=C(CSc1nnc(-c2ccccc2Cl)o1)Nc1ccc(N2CCOCC2)cc1 3268686 NSIWMZQJYZRUDA-UHFFFAOYSA-N 430.917 3.957 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccccc1-c1ccccc1 3282067 YZYLLKBGGBZBLN-UHFFFAOYSA-N 436.533 3.935 0 40 IHAB CC1(C)C(=O)Nc2ccccc2N1C(=O)CSc1nnc2c(Cl)cc(Cl)cn12 3441428 MHSKTUJRCKHUMK-UHFFFAOYSA-N 436.324 3.892 0 40 IHAB O=C(Nc1ccccc1)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)c2ccccc2)C1 6131149 DKJZPJMVXFVZKO-PKOBYXMFSA-N 428.492 3.752 0 40 IHAB biogenic,in-vitro Cc1c(OCC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)ccc2c3c(c(=O)oc12)CCCC3 6232866 SJEDGNXTYBINAW-NSYGIPOTSA-N 425.525 3.513 0 40 IHAB biogenic COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccc(SC)cc2)c(OC)c1 6237903 WTFDSEUHXMAZAD-FQEVSTJZSA-N 437.525 3.945 0 40 IHAB C[C@H](NC(=O)CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)c1ccc(F)cc1 8762643 OUNRJQDZXQTPBJ-YJBOKZPZSA-N 441.528 3.684 0 40 IHAB O=C(CCc1nc2ccccc2s1)Nc1cccc(S(=O)(=O)NCc2ccco2)c1 8876774 AXBXYLACBCOOBD-UHFFFAOYSA-N 441.534 3.939 0 40 IHAB CCCc1ccc(-c2nc(NC(=O)CCn3cnc4c(cnn4C)c3=O)sc2C)cc1 8938568 KFTXKKJMPLIDGW-UHFFFAOYSA-N 436.541 3.543 0 40 IHAB CCN1CCc2c([nH]c3ccccc23)[C@H]1c1c(O)nc(O)n(-c2cccc(C)c2C)c1=O 8995785 MPXXMSMGRPKSBQ-JOCHJYFZSA-N 430.508 3.709 0 40 IHAB biogenic COC(=O)[C@@](NC(=O)Cc1ccccc1)(Nc1nc2ccc(F)cc2s1)C(F)(F)F 9044093 TYLDHSYLWFPOCY-GOSISDBHSA-N 441.406 3.638 0 40 IHAB Nn1c(SCC(=O)Nc2cccc3ccccc23)nnc1-c1cc(-c2ccccc2)n[nH]1 9353686 ULOFZXSLVMQHOS-UHFFFAOYSA-N 441.520 3.933 0 40 IHAB CCOc1ccc(-c2noc(CN([C@H]3CCCc4ccccc43)S(C)(=O)=O)n2)cc1 9410100 UVOUTNVEYYSYKN-FQEVSTJZSA-N 427.526 3.975 0 40 IHAB O=C(Nc1nc2c(Br)cccc2s1)c1cccc(N2C(=O)CCC2=O)c1 9599645 OMDKKJKEQZJAJP-UHFFFAOYSA-N 430.283 3.965 0 40 IHAB CCOC(=O)c1ccc(N2CCN(C(C)=O)CC2)c(NC(=O)c2ccc(C(C)C)cc2)c1 9907915 MDZRKPAYPYGALR-UHFFFAOYSA-N 437.540 3.908 0 40 IHAB O=C(CSc1nc(=O)n(Cc2cccnc2)c2c1CCCC2)Nc1ccc(Cl)cc1 10186737 HHQNLBRNXYBJJN-UHFFFAOYSA-N 440.956 3.950 0 40 IHAB C[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)CCNC(=O)c1ccccc1)OCCO3 10365719 SAXMIPSYXNGKEI-SFHVURJKSA-N 434.536 3.993 0 40 IHAB COc1ccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)cc1C(=O)N1CCC(C)CC1 10449985 HNTYZIQREHVJRM-QGZVFWFLSA-N 428.554 3.707 0 40 IHAB C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCC(NC(=O)c2ccccc2)CC1 10777250 HDRXYLAWRZLDMH-OAHLLOKOSA-N 431.330 3.637 0 40 IHAB CCOc1cc(C=O)ccc1OCC(=O)Nc1cccc(I)c1 11529013 CPQCVUOAUMBYAZ-UHFFFAOYSA-N 425.222 3.520 0 40 IHAB CCc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)c2cc(-c3ccccc3)on2)n1 12007051 PTWKXXUFRAHFIU-UHFFFAOYSA-N 442.435 3.685 0 40 IHAB COc1ccc(CNC(=O)CN2N=C(C(C)(C)C)Cn3c(cc4ccccc43)C2=O)cc1 12088720 GFGCWNKVFDCWOO-UHFFFAOYSA-N 432.524 3.824 0 40 IHAB CCOc1ncc(C2(O)CCN(Cc3cc4c(cc3OC)CCCC4)CC2)c(OCC)n1 12186413 MILQHFDSFRVOQB-UHFFFAOYSA-N 441.572 3.645 0 40 IHAB COc1cccc(-c2nc(C(=O)Nc3ccc(N4CCOCC4)cc3)cs2)c1OC 12522982 QRYVYKJPWCBEAE-UHFFFAOYSA-N 425.510 3.916 0 40 IHAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 12548484 JNMIOQXTGQOHPW-QKKBWIMNSA-N 442.468 3.794 0 40 IHAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)/N=c3/sc4ccccc4n3C)c2)C1 12563794 VCYFNNSPRMNOPI-XBIFPAPLSA-N 443.594 3.648 0 40 IHAB O=C(CN1CCC(C(=O)c2ccccc2)CC1)NC1(c2ccc3c(c2)OCCO3)CCCC1 12795075 JGXIKWSVVFXTIL-UHFFFAOYSA-N 448.563 3.938 0 40 IHAB CC[C@H](C)c1ccccc1NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccccc2F)CC1 12852220 XRBOHEJCAXBAOG-ROUUACIJSA-N 447.576 3.673 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)CCc3ccccc3)CC2)cc1C 12926353 OKJJRNXJJKZURT-FQEVSTJZSA-N 428.598 3.842 0 40 IHAB Cc1cccc(NC(=O)c2ccccc2NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 13098853 ROHKHMMDPRCUDZ-OALUTQOASA-N 433.508 3.751 0 40 IHAB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)Nc2ncc(Cl)c(C)c2Cl)c1C 13150471 XQWALOKJJXANJX-UHFFFAOYSA-N 428.272 3.614 0 40 IHAB O=C(CN1C(=O)S/C(=C\C(Cl)=C\c2ccccc2)C1=O)NCCc1ccc(O)cc1 13576183 CEMUYIHPRMGZRZ-JOSACAGISA-N 442.924 3.910 0 40 IHAB C/C(=C\C(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1)C(=O)O 13579186 FWKUEQMYSQYDLW-CMPYXILNSA-N 442.493 3.547 0 40 IHAB CCOC(=O)c1cccc(NC(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)c1 13673161 CMGGXPHCYCFSQM-UHFFFAOYSA-N 445.324 3.575 0 40 IHAB CC[C@@H](C(=O)Nc1cc(OC)ccc1OC)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714228 MFRMPZGXDVHIGC-KRWDZBQOSA-N 426.922 3.541 0 40 IHAB COc1cccc([C@]2(C)NC(=O)N(Cc3ccc(C(=O)Nc4ccccc4)cc3)C2=O)c1 14095593 YHAKUVUYQVOWLP-VWLOTQADSA-N 429.476 3.915 0 40 IHAB CC[C@H](c1nnc(SCC(=O)c2ccc3c(c2)CC(=O)N3)n1Cc1ccccc1)N(C)C 14164240 GDBOLJOUWPJMFW-HXUWFJFHSA-N 449.580 3.809 0 40 IHAB COc1ccc(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1S(=O)(=O)N1CCCC1 15314398 SRGXCXSYONYLPQ-NXTQRVMMSA-N 446.613 3.814 0 40 IHAB O=C(NCCc1ccccc1F)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1 18826164 JZGOUVLWZNAGOY-UHFFFAOYSA-N 446.931 3.930 0 40 IHAB CCOc1ccc(CCC(=O)N2CCC(c3cc(C(F)(F)F)n4ncnc4n3)CC2)cc1 19533086 GQIIFWZJCSDDCK-UHFFFAOYSA-N 447.461 3.881 0 40 IHAB CCOc1ccc2oc(C)c(C(=O)N(C)Cc3cc(NC)nc([C@H]4CCCNC4)n3)c2c1 19709704 OQUCPECWTUSOSF-INIZCTEOSA-N 437.544 3.711 0 40 IHAB CCN(CC)CC(=O)N1CC[C@H](c2cc(C(=O)Nc3nccs3)c3ccccc3n2)C1 19756927 PUJUYAFJKCBYBG-INIZCTEOSA-N 437.569 3.601 0 40 IHAB Cc1nc(C2CCN(C(=O)COc3ccc(F)cc3)CC2)ncc1C(=O)Nc1ccccc1 19764250 ZRCRPYXEOLYTQT-UHFFFAOYSA-N 448.498 3.961 0 40 IHAB O=C(N[C@]1(C(F)(F)F)N=C(c2ccccc2)N(Cc2ccco2)C1=O)c1cccs1 20590517 OGVGPAOFGPGDKJ-LJQANCHMSA-N 433.411 3.819 0 40 IHAB O=C(NN=C1CCCCC1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 22001322 FHKNTOOZBVETBC-HXUWFJFHSA-N 433.961 3.666 0 40 IHAB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C)CC)cc1Cl 22248032 MDUYSOXLENXWQI-BEFAXECRSA-N 438.977 3.543 0 40 IHAB Cc1noc(C)c1COc1ccc(C(=O)NCCNC(=O)c2ccc(Cl)cc2)cc1 22973642 YCBAVHOUWAECBP-UHFFFAOYSA-N 427.888 3.684 0 40 IHAB COc1cccc(CSc2nc(C)c(CC(=O)Nc3cccc(C(C)=O)c3)c(=O)[nH]2)c1 23138565 XMDMHBMMDMKZDN-UHFFFAOYSA-N 437.521 3.763 0 40 IHAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NCCCN3C[C@@H](C)O[C@H](C)C3)cc12 24968848 RPIQMTJEHMQGKP-HZPDHXFCSA-N 444.576 3.823 0 40 IHAB O=C(Cc1csc(-c2ccco2)n1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 24972734 JCPMINRPJMLREU-UHFFFAOYSA-N 446.535 3.842 0 40 IHAB COC(=O)c1oc(CN(c2ccccc2OC)S(=O)(=O)c2ccc(F)cc2)cc1C 31608077 WWRFCBWUGZGOKP-UHFFFAOYSA-N 433.457 3.918 0 40 IHAB Cc1ccc2nc(CSCc3nc(N)nc(Nc4ccc(Cl)cc4)n3)cc(=O)n2c1 32855754 AIELPWGOLQXTDC-UHFFFAOYSA-N 439.932 3.601 0 40 IHAB Cc1ccc(Oc2nc3ccccc3n3c(=O)n(CC(=O)Nc4ccccc4)nc23)cc1 35424710 XQRYWBWCLDXCRD-UHFFFAOYSA-N 425.448 3.784 0 40 IHAB Cc1nn(Cc2ccc(Br)cc2)c(C)c1NC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 36007363 KPXZNHZJKZYRBU-FZCLSBEQSA-N 444.329 3.772 0 40 IHAB COC(=O)[C@H](c1ccccc1Cl)N1CCN(C(=O)c2ccc3ncsc3c2)CC1 40033888 VWGUMXAXXUIHOB-IBGZPJMESA-N 429.929 3.622 0 40 IHAB COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2ccc(-n3nc(C)cc3C)nc2)CC1=O 40088989 NLASMCQYOIYNML-OAHLLOKOSA-N 439.903 3.538 0 40 IHAB CS(=O)(=O)Nc1ccc(Cl)c(C(=O)NCc2ccc(CN3CCCCC3)cc2)c1 44875236 FPFBLMDBEXSVTB-UHFFFAOYSA-N 435.977 3.627 0 40 IHAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c1C 44899847 RQXYZAJGLQNXRD-QGZVFWFLSA-N 425.510 3.905 0 40 IHAB COc1ccc([C@H](C)NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCCC3)c2)cc1 44900090 HTGMSZXSXLJZRX-KRWDZBQOSA-N 446.569 3.760 0 40 IHAB COc1ccc(NC(=O)CCc2nnc(-c3ccsc3)o2)cc1N1CCCCC1=O 48263913 HGTAGHBGGWZWNA-UHFFFAOYSA-N 426.498 3.895 0 40 IHAB CCc1nnc2ccc(S(=O)(=O)N(Cc3cccc(OC)c3)c3ccc(F)cc3)cn12 49408548 RVAWQHIBVFRZIA-UHFFFAOYSA-N 440.500 3.835 0 40 IHAB CC(=O)c1cccc(NC(=O)Cn2c(=O)n(-c3cc(C)cc(C)c3)c(=O)c3sccc32)c1 57492256 XJPLUSQIFAPZGE-UHFFFAOYSA-N 447.516 3.672 0 40 IHAB Cc1ccc(S(=O)(=O)c2ccc(CSc3nnc(N4CCOCC4)s3)cc2)cc1 58358116 IPYYVPKJDCKYFF-UHFFFAOYSA-N 447.607 3.808 0 40 IHAB CC[C@@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCc1nccn1CC(F)(F)F 65562563 QASOAMNKNIBUBX-MLGOLLRUSA-N 431.842 3.987 0 40 IHAB Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)Nc3cc(F)ccc3F)c2=O)c1C 67218445 PHBDUCSXIXRSPZ-UHFFFAOYSA-N 441.459 3.748 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)CSc1nc2cc(C)[nH]c2c(=O)n1[C@@H](C)CC 67238875 YOHOAOVVBGWAGX-AWEZNQCLSA-N 442.541 3.912 0 40 IHAB CCCc1noc(-c2ccnc(-n3cnc(C(=O)NCc4cccc(OCC)c4)c3)c2)n1 71768441 QYPMTPSSOIFYHG-UHFFFAOYSA-N 432.484 3.599 0 40 IHAB COCCN(C(=O)c1ccc(F)cc1F)[C@H](C(=O)OC)c1ccc(Br)cc1 72292794 LAWHOQDWOIAKLT-KRWDZBQOSA-N 442.256 3.730 0 40 IHAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCCSC[C@H]1CN1CCOCC1 90609114 ISLJMLGUOLGYGM-MRXNPFEDSA-N 435.977 3.583 0 40 IHAB CS(=O)(=O)[C@](Cl)(I)[C@H](O)c1ccc(-c2ccccc2)cc1 96519957 IVOTWODWVCBROL-HUUCEWRRSA-N 436.698 3.759 0 40 IHAB CCc1ccc(OC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1 102077293 SIFNWVZFBSLBLO-DPPJIKRNSA-N 441.527 3.819 0 40 IHAB CCc1ccccc1N(CC(=O)N[C@@H](CC(C)C)c1ccc(OC)cc1)S(C)(=O)=O 216290321 JKHWRTLWRLOSNZ-NRFANRHFSA-N 432.586 3.927 0 40 IHAB CC[C@H](NC(=O)[C@@H](C)Oc1ccc(Br)cc1)c1ccc(S(C)(=O)=O)cc1 219690839 UFBHSSOVBFBNSA-ACJLOTCBSA-N 440.359 3.887 0 40 IHAB COc1cc(OC)cc(OCC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC(C)(C)C)c1 222736572 HUIYMRIXRFZBNO-SFHVURJKSA-N 442.556 3.723 0 40 IHAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCc2ccc3c(c2)OCO3)cc1 223083352 DMSLGLVURARBFZ-UNOMPAQXSA-N 436.489 3.573 0 40 IHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(Br)c(C)c1 223534581 OKQQRVHLXCOPEZ-MRXNPFEDSA-N 433.346 3.690 0 40 IHAB COc1cccc(CNS(=O)(=O)c2ccc(SC)c(C(=O)N3CCCCCC3)c2)c1 223893811 HGLLXZUBUPDAQW-UHFFFAOYSA-N 448.610 3.912 0 40 IHAB COc1ccc(CNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)c(OC)c1 224079627 BOKSEDUQKATCCN-UHFFFAOYSA-N 444.484 3.574 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(C(=O)NCc3ccccn3)c2)cc1 224341808 GMZNILAWZDTDHU-UHFFFAOYSA-N 429.929 3.799 0 40 IHAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1F 224939428 OAKIAXVZYZQDIV-NRFANRHFSA-N 430.520 3.793 0 40 IHAB CCOC(=O)c1cc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CC)ccc1Cl 225208078 DYDHKDIOYJXYSU-UHFFFAOYSA-N 436.917 3.617 0 40 IHAB Cc1cc(S(=O)(=O)N(C)Cc2nc(-c3cccc(Br)c3)no2)ccc1F 225610665 UJZKQEHSCKYENP-UHFFFAOYSA-N 440.294 3.767 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)N(C)c2ccc(C)c(C)c2)CC1 226081568 WTZZUULOPDHJDK-UHFFFAOYSA-N 430.570 3.684 0 40 IHAB Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@]4(C(=O)Nc5c(C)cc(Cl)cc54)[C@H]3C2=O)c(C)c1 247883870 SFGQGXXDKSJPDS-OZAHESQGSA-N 449.938 3.696 0 40 IHAB NC(=O)CC1(COc2cccc(Cl)c2)CCN(C(=O)CCc2ccc(F)cc2)CC1 257205447 AZCCFIYXIIFLBX-UHFFFAOYSA-N 432.923 3.975 0 40 IHAB O=C1O[C@@]2(CCN(C(=O)c3ccccc3CN3CCCCC3)C2)CN1Cc1ccccc1 257337648 YTTHFTNLTZOGSG-AREMUKBSSA-N 433.552 3.910 0 40 IHAB NC(=O)[C@H]1CCCN(C(=O)C2(Cc3cccc(-c4ccc(F)c(F)c4)c3)CCOCC2)C1 257341176 ZJDABUOMKJAKCR-FQEVSTJZSA-N 442.506 3.695 0 40 IHAB Cc1ccc(C)c(N([C@H](C)C(=O)NCCOc2ccc3ccccc3c2)S(C)(=O)=O)c1 260947411 VNVYRINNJUAFKX-LJQANCHMSA-N 440.565 3.806 0 40 IHAB NC(=O)COc1ccc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1Br 408559970 XKMAVBVVVXOANH-QGZVFWFLSA-N 441.734 3.745 0 40 IHAB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)cc(OC)c1O 409161500 YEXMFUHGMPODSD-LZYBPNLTSA-N 448.884 3.738 0 40 IHAB CCCOc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(Cl)cc3)CC2=O)cc1 409168800 NRDMVAPXVHYDGJ-OAHLLOKOSA-N 430.888 3.664 0 40 IHAB CCOc1cc(C(=S)N2CCOCC2)cc(Cl)c1OCC(=O)Nc1ccccc1 409237584 ACGUSJJYZNJVDR-UHFFFAOYSA-N 434.945 3.764 0 40 IHAB CCOc1ccc(NC(=O)CSc2nnc(CC(=O)Nc3ccccc3)n2CC)cc1 409331262 NFKPARCRLBWJDX-UHFFFAOYSA-N 439.541 3.609 0 40 IHAB CC[C@@H](c1nnc(SCc2csc(NC(C)=O)n2)n1-c1ccc(OC)cc1)N(C)C 501709450 MNSADHWSAUCZNH-KRWDZBQOSA-N 446.602 3.996 0 40 IHAB O=C(NCc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1)c1cnc2ccc(F)cc2c1 577151293 STSBDMWXBXSTPM-UHFFFAOYSA-N 432.455 3.673 0 40 IHAB O=C(c1ccsc1)N1CCO[C@@]2(C1)C(=O)N(Cc1cccs1)C[C@@H]2c1ccccc1 585106849 JOKPIFALWWXHKC-NFBKMPQASA-N 438.574 3.847 0 40 IHAB Cc1ccccc1[C@H](CC(=O)N1CCc2ccccc2[C@@H]1C(=O)OC(C)(C)C)NC(N)=O 1641824260 VLJPKLHGUSEBEN-RBBKRZOGSA-N 437.540 3.562 0 40 IHAB COc1ccc(S(=O)(=O)N2[C@H]3CC[C@H]2CC(n2cc(Br)cn2)C3)cc1C 1775974741 NTQFNWZQHIEKMP-GJZGRUSLSA-N 440.363 3.519 0 40 IHAB COc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=S)NCc3ccccc3)cc2c1 880087 VHLQKKNCLZFGAC-NRFANRHFSA-N 437.565 3.592 0 40 IHAB CC(=O)c1sc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)nc1C 941440 XQSGKHNMELRKDV-SFHVURJKSA-N 433.489 3.500 0 40 IHAB CCCCCCn1nc(C(=O)OCC(=O)Nc2cccc(OC)c2)c2ccccc2c1=O 3273382 PCXKXRXHBBLOSS-UHFFFAOYSA-N 437.496 3.781 0 40 IHAB CC(C)[C@@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1Cl)N1C(=O)c2ccccc2C1=O 3332258 HZLRATSLFQDXGT-SFHVURJKSA-N 449.290 3.796 0 40 IHAB C[C@H](C(=O)Nc1ccc(F)c(F)c1F)N(C)CC(=O)Nc1ccccc1Br 3435119 CYDDWXLHEVNKJP-SNVBAGLBSA-N 444.251 3.764 0 40 IHAB Cc1cc(C)cc(-n2c(SCn3nnc4ccccc4c3=O)nc3ccccc3c2=O)c1 3519952 DMDLEKFICNNMHK-UHFFFAOYSA-N 441.516 3.857 0 40 IHAB Cc1ccc(-n2ccnc2SCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)c(C)c1 8709745 QUFMLQYAEFFJOP-LJQANCHMSA-N 447.626 3.540 0 40 IHAB C[C@@H](NC(=O)CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)c1ccc(F)cc1 8762651 OUNRJQDZXQTPBJ-QAPCUYQASA-N 441.528 3.684 0 40 IHAB CC[C@@H](Oc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 8918224 MICDTNYKBXNWCV-RRFXTLBOSA-N 439.552 3.983 0 40 IHAB C[C@H](NC(=O)CSc1nc(O)cc(-c2ccccc2)n1)c1ccc2c(c1)OCCCO2 9028249 UVGNSWHASZJEFF-HNNXBMFYSA-N 437.521 3.980 0 40 IHAB Cc1noc(C)c1S(=O)(=O)NC[C@H](c1ccc(N(C)C)cc1)c1c[nH]c2ccccc12 9126158 XIQOEDUBQNECGD-HXUWFJFHSA-N 438.553 3.949 0 40 IHAB CCN1CCc2c([nH]c3ccccc23)[C@@H]1c1c(O)[nH]c(=O)n(-c2c(C)cc(C)cc2C)c1=O 9129169 HNJUAMIPPLKZFI-QHCPKHFHSA-N 444.535 3.605 0 40 IHAB C[C@H](c1ccccc1)N1C[C@@H](C(=O)Nc2cc(Cl)ccc2N2CCOCC2)CC1=O 9224263 AWKDUWUNKRYTMR-AEFFLSMTSA-N 427.932 3.725 0 40 IHAB COc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)NCc2ccc(C)cc2)cc1Cl 9238645 FILXEVQQHXEUBN-MOPGFXCFSA-N 443.960 3.632 0 40 IHAB COc1ccc(-c2noc([C@@H]3CC(=O)N(c4ccc(OC)c(Cl)c4)C3)n2)c(OC)c1 9318502 PYBIEPOUTJMVQC-GFCCVEGCSA-N 429.860 3.936 0 40 IHAB Cc1nc(-c2ccc(Cl)cc2)nc2sc3c(=O)n(CCN4CCCC4)nnc3c12 9483649 OMQVKPVFYOWGBE-UHFFFAOYSA-N 426.933 3.521 0 40 IHAB CCOc1ccc(C(=O)NCC(=O)OCCCC(=O)c2ccc(F)cc2)cc1OCC 9539952 ZTFPVZIQBHWIFY-UHFFFAOYSA-N 431.460 3.559 0 40 IHAB Cc1cc(S(=O)(=O)N2CCCC[C@H]2CCNC(=O)NC2CCCCC2)ccc1F 9748385 SKZBISLPMBRSLR-SFHVURJKSA-N 425.570 3.699 0 40 IHAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CCC(=O)NCc2ccncc2)cc1 9749609 CJMYGSWANUQFBW-XMMPIXPASA-N 442.519 3.865 0 40 IHAB CCOCCCNc1nc2c(S(=O)(=O)c3ccc(CC)cc3)nnn2c2ccccc12 9829964 CMSBLRDYKHGWKN-UHFFFAOYSA-N 439.541 3.511 0 40 IHAB COc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)O[C@@H](C)C(=O)N2CCCC2)c1 10069290 JGAOARONWAWOCG-INIZCTEOSA-N 437.471 3.855 0 40 IHAB CCCCc1ccc(N2C(=O)C[C@@H](N(C)CC(=O)Nc3ccccc3Cl)C2=O)cc1 10168036 XIRPYLUASJBCNR-HXUWFJFHSA-N 427.932 3.885 0 40 IHAB CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)Nc3cccc4ccccc34)CC2)c1 11007647 DDNWDJNMXQYSRH-UHFFFAOYSA-N 437.521 3.581 0 40 IHAB O=C(Nc1ccccc1)c1ccc(CSc2nnc(N3CCOCC3)n2C2CC2)cc1 11369498 IDXYVYCWQCBLFD-UHFFFAOYSA-N 435.553 3.994 0 40 IHAB COc1ccc(-c2cc3nc([C@H](C)NC(=O)c4ccc5c(c4)C[C@H](C)O5)nn3cn2)cc1 12085172 HZKCZKWHIYHNAA-GJZGRUSLSA-N 429.480 3.614 0 40 IHAB Cn1ncc(Cl)c1[C@H]1CCCCCN1S(=O)(=O)c1ccc(N2CCCC2=O)cc1 12159793 LEMKBJLNBQHWGN-GOSISDBHSA-N 436.965 3.506 0 40 IHAB CC(C)Cn1c(-c2ccc(Br)cc2)cnc1Sc1ccc2nnnn2n1 12534906 KTLJOWQRUVFJJP-UHFFFAOYSA-N 430.335 3.953 0 40 IHAB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)Nc1ccnn1C1CCCC1 12686619 IBGYFMOUQVFEIR-UHFFFAOYSA-N 438.553 3.828 0 40 IHAB O=C(N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1)C12CC3CC(CC(C3)C1)C2 12753593 QQJNPTZWHVTUEN-UHFFFAOYSA-N 440.968 3.528 0 40 IHAB CCN(Cn1nc(Nc2ccc(C)c(Cl)c2)sc1=S)[C@H]1CCS(=O)(=O)C1 12993342 WONNEEPLDNJMQL-ZDUSSCGKSA-N 433.024 3.846 0 40 IHAB Cc1cc(C)c2[nH]c(=O)c(CN(C[C@@H]3COCCO3)C(=O)Nc3ccccc3C)cc2c1 13512873 JIAMZTIMJODWIU-OAQYLSRUSA-N 435.524 3.903 0 40 IHAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3)cc2)n1 13964471 WZMCQBAQWTVYNI-NYYWCZLTSA-N 428.901 3.891 0 40 IHAB O=C(c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)N1CCC[C@H](C(F)(F)F)C1 14242487 NMSFCCPPTTUYKK-KRWDZBQOSA-N 438.471 3.853 0 40 IHAB O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1ccccc1C(=O)NCc1ccco1 14704064 UXXSRJZWJDNITB-UHFFFAOYSA-N 434.427 3.970 0 40 IHAB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 15080005 BSXHHLIUPTWCNW-UHFFFAOYSA-N 448.850 3.632 0 40 IHAB Cc1nc(-c2ccc(N(C)C)cc2)cc([C@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)c2ccco2)n1 15672640 VTLCZXXXIWUNCY-NNWRFLSQSA-N 445.567 3.719 0 40 IHAB biogenic,in-vitro COc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2C(=O)O)cc1Br 16226605 MYKGALWZFBRMIQ-UHFFFAOYSA-N 443.706 3.936 0 40 IHAB Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1S(=O)(=O)N1CCCCC1 17605265 GZGWBDFUKJZPLN-UHFFFAOYSA-N 441.553 3.549 0 40 IHAB Cc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@@H](O)c3ccc(N4CCCC4=O)cc3)CC1)O2 19219249 MMWNFJZEJZJHQC-DHIUTWEWSA-N 436.552 3.506 0 40 IHAB COc1ccc(CN2CCc3nc([C@@H]4CCCN4C(=O)C4CCCC4)nc(O)c3C2)cc1 19555508 UOQXCHZXAPPFDN-QFIPXVFZSA-N 436.556 3.603 0 40 IHAB COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CCCN2C(=O)Cc2csc(C)n2)c1 19690140 LZFRLISTVDGXOB-FQEVSTJZSA-N 437.569 3.889 0 40 IHAB CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CCN(C(=O)CCCN2CCCCCC2)C1 19702310 LYMZCAISCDMPAU-GOSISDBHSA-N 442.629 3.970 0 40 IHAB CCOc1ccc(CCC(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1OCC 20487533 JKRALIOEBCMYSK-IBGZPJMESA-N 440.540 3.964 0 40 IHAB O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)NC(=O)Nc1ccccc1F 22920615 DTZRGXLVLNVPEP-UHFFFAOYSA-N 446.526 3.881 0 40 IHAB Cc1cccc(OCCCNC(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)c1 24241005 PKUCLZDKHBZGCD-UHFFFAOYSA-N 444.578 3.734 0 40 IHAB CCOc1ccc(-c2nc(CN3c4ccc(S(N)(=O)=O)cc4C[C@@H]3C)cs2)cc1 27556108 CWAQOFBSSRQZJF-AWEZNQCLSA-N 429.567 3.807 0 40 IHAB COC[C@@H](C)n1c(S[C@@H](C)C(=O)N2CCc3ccccc3C2)nc2ccccc2c1=O 28683678 WQLALCWTGXBWIL-SJORKVTESA-N 437.565 3.669 0 40 IHAB O=C(C[C@@H]1SC(N2CCCC2)=NC1=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 28757057 QFKPQHRYONQFOS-SFHVURJKSA-N 441.940 3.993 0 40 IHAB COc1ccc2nc(NC(=O)c3ccc4c(c3)C(=O)N(Cc3ccco3)C4=O)sc2c1 28838369 GIPGLTZRFLAUHR-UHFFFAOYSA-N 433.445 3.946 0 40 IHAB Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)NCC(=O)NCc3ccco3)cc12 30554472 BYZIFLFZLFYVJP-UHFFFAOYSA-N 442.928 3.747 0 40 IHAB COc1ccccc1OC[C@H](O)Cn1c([C@H]2CC(=O)N(C(C)(C)C)C2)nc2ccccc21 31903681 SUMCGQVPDFNNRY-ZWKOTPCHSA-N 437.540 3.599 0 40 IHAB CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)/C=C/c1cccc(Cl)c1 32999603 CCWWZTCPWIKXSM-CMDGGOBGSA-N 427.888 3.656 0 40 IHAB NC(=O)NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(F)cc1)CCC2 35128527 ZLOLQKJWMUTVAG-QINSGFPZSA-N 433.439 3.603 0 40 IHAB Cc1ccc2c(c1)N(CC(=O)N(Cc1ccccc1)Cc1ccc3c(c1)OCO3)C(=O)CO2 35312752 OTOJCNDSZPDLBH-UHFFFAOYSA-N 444.487 3.678 0 40 IHAB Cc1nn(-c2ccccc2)c(Cl)c1COC(=O)CCc1nc2ccccc2c(=O)n1C 36758071 STIXMSAIDGLDCC-UHFFFAOYSA-N 436.899 3.757 0 40 IHAB O=C(c1ccc[nH]c1=O)N1CCC(Cn2c(COc3ccccc3)nc3ccccc32)CC1 38533976 CHMOFIFSQXQCLC-UHFFFAOYSA-N 442.519 3.856 0 40 IHAB Cc1cccc(C)c1NC(=O)CCCS(=O)(=O)[C@@H](C(=O)N1CCCC1)c1ccccc1 40121902 HBRXAFHXKKKUBH-HSZRJFAPSA-N 442.581 3.801 0 40 IHAB O=C(COC(=O)c1n[nH]c(=O)c2ccccc12)Nc1c(Cl)cc(Cl)cc1Cl 46586007 POGITGLWASUGIF-UHFFFAOYSA-N 426.643 3.679 0 40 IHAB CCOc1ccc(N(Cc2cccc(F)c2)S(=O)(=O)c2ccc3nncn3c2)cc1 49408364 QLXMFRXTMLIDIY-UHFFFAOYSA-N 426.473 3.663 0 40 IHAB O=C(Nc1ccc(Cn2cncn2)cc1)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 49551079 MGHBRAOITBINNS-CQSZACIVSA-N 430.295 3.625 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1N1CCN(C(=O)c2cc(=O)c3ccccc3o2)CC1 56907912 KCQPLBNYNVWKJS-UHFFFAOYSA-N 428.492 3.558 0 40 IHAB Cc1ccc(NC(=O)Cn2c(=O)n(-c3ccc(Cl)cc3)c(=O)c3sccc32)cc1F 57491854 AFSPSXZLYYKLQI-UHFFFAOYSA-N 443.887 3.954 0 40 IHAB CCOc1ccc(-c2nc(Cn3nnc(C(=O)Nc4cccc(F)c4)c3N)c(C)o2)cc1 57511823 XFRCANGOCKYAKT-UHFFFAOYSA-N 436.447 3.662 0 40 IHAB CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)c(F)c1 58159342 CYRFGKKHCYASGZ-ROUUACIJSA-N 430.517 3.908 0 40 IHAB COc1ccc(S(=O)(=O)N2c3ccccc3CC[C@H]2C(=O)Nc2ccccc2F)cc1 58264048 TWPFYBDNMWEPGK-QFIPXVFZSA-N 440.496 3.983 0 40 IHAB O=C(Nc1ccc(F)c(F)c1)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 64985405 WUDNZZQBCSXTOD-HXUWFJFHSA-N 430.432 3.560 0 40 IHAB Cc1c(Cl)cccc1NC(=O)CN1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 69657457 BQVFNPUVFUGXRV-NRFANRHFSA-N 427.932 3.867 0 40 IHAB CCOC(=O)c1ccn(-c2cccc(NC(=O)N(Cc3cccnc3)C[C@@H]3CCCO3)c2)n1 70004675 XVGIXYNKZTWNLL-NRFANRHFSA-N 449.511 3.657 0 40 IHAB CCc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccc(OC)c(Cl)c2)c1C 71327229 PBARTLBPZWOABB-UHFFFAOYSA-N 427.892 3.702 0 40 IHAB Nc1c(Cl)cc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)cc1Cl 71811206 HEZUNVIJNBBZQQ-UHFFFAOYSA-N 434.370 3.603 0 40 IHAB CCCc1ccc(C(=O)N2CCC3(CC2)C[C@@]2(CO3)NC(=O)c3cc(Cl)ccc3N2)o1 72325541 AWPOFMPBVBIOIZ-QHCPKHFHSA-N 443.931 3.832 0 40 IHAB CNc1nc([C@@H]2CCCCN2C(=O)c2cc(C3CCCCC3)no2)nc2c1CCN(C)C2 72376576 KIDXMRKEGKCSTJ-FQEVSTJZSA-N 438.576 3.909 0 40 IHAB Cc1cccc(C(=O)N2CCCN(C(=O)Cc3c(C)nn(-c4ccc(F)cc4)c3C)CC2)c1 78597026 OWBJBAAREDHAHG-UHFFFAOYSA-N 448.542 3.854 0 40 IHAB O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCC[C@H](n2nccc2C(F)(F)F)C1 95466069 NQGLUIPOBSIQLU-NSHDSACASA-N 443.369 3.826 0 40 IHAB COc1ccc(CN2C[C@@]3(CO[C@H](C(=O)N(C)Cc4ccccn4)C3)c3ccccc32)cc1 96144535 TTZUQLBEECLONC-BDYUSTAISA-N 443.547 3.796 0 40 IHAB CCOC(=O)c1ccc(-n2nc(S(=O)(=O)c3ccc(C)cc3)c(=O)c3ccccc32)cc1 98212055 FCZIBGOIPLQKPX-UHFFFAOYSA-N 448.500 3.704 0 40 IHAB COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OC 101075348 VARQVJBNNLKMKN-VABKMULXSA-N 448.450 3.894 0 40 IHAB CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@@H]2[C@H]2C=Cc3ccc4cccnc4c3N12 101098677 NSYYOCZKQDTUGG-IKVWTGGYSA-N 431.536 3.834 0 40 IHAB CCOc1ccc(NC(=O)c2cnn3c2NC(C(=O)O)=C[C@@H]3c2ccc(OC)cc2)cc1 101836377 UXHYGJAXGVVQFC-HXUWFJFHSA-N 434.452 3.526 0 40 IHAB COc1ccc(-c2noc(CNC(=O)CCCN3C(=O)c4cccc5cccc3c45)n2)cc1 219474358 UMYKEEJZNJTQQK-UHFFFAOYSA-N 442.475 3.955 0 40 IHAB COc1ccc(N([C@H](C)C(=O)Nc2cccc3ccccc23)S(C)(=O)=O)cc1OC 220226418 TZYAUFJIACBRCX-OAHLLOKOSA-N 428.510 3.650 0 40 IHAB COC(=O)c1cn(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c2ccccc12 222628503 MYGJSLOCUBFMKI-IBGZPJMESA-N 446.912 3.575 0 40 IHAB Cc1cc(S(=O)(=O)NC2CC2)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 223054341 QAQSALMAJFDUSD-UHFFFAOYSA-N 429.325 3.760 0 40 IHAB COc1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H](C(=O)C(C)(C)C)N1C=Cc3ccccc3[C@@H]21 248147199 TVGKUGGUPLPVIQ-LNRXMEIDSA-N 430.504 3.826 0 40 IHAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@H]2[C@@H](O)C[C@]2(C)[C@@H]3CC[C@@]2(O)[C@@H](C)OC(C)=O)C1 257350619 YSWRIYFDFKLCHS-DTEYPQEISA-N 436.589 3.614 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(-c4cccc(F)c4)[nH]n3)C2)cc1 260619497 NCZODWNPCWEVSV-KRWDZBQOSA-N 442.516 3.564 0 40 IHAB C[C@H]1CCCCN1c1cc(N2CCCCCC2)nc(NC(=S)NC[C@H]2CCCO2)n1 260724254 YNJGMJJXUBQITO-ZWKOTPCHSA-N 432.638 3.701 0 40 IHAB O=C1c2ccccc2C(=O)N1CSc1nnc(-c2ccccc2O)n1-c1ccccc1 408544193 SVBKWHISSQGSOU-UHFFFAOYSA-N 428.473 3.986 0 40 IHAB CC(C)c1cc(I)ccc1NC(=O)CSc1nccc(O)n1 408545047 OETACXFTZIGGDP-UHFFFAOYSA-N 429.283 3.641 0 40 IHAB C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]12 408664039 YOVDDFUIXFDFLT-VMRPVKRXSA-N 436.895 3.777 0 40 IHAB COc1cccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc2C)c1 408678649 UJDUDHDVQVEKFU-UHFFFAOYSA-N 426.494 3.822 0 40 IHAB CCOc1ccccc1NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl 409391744 OJDYSUPTWHCYOM-UHFFFAOYSA-N 438.933 3.541 0 40 IHAB O=C(c1c[nH]c2c(F)cc(F)cc2c1=O)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]21 604404606 FQYMRQHBDQFETD-BAHGIXHPSA-N 439.506 3.842 0 40 IHAB biogenic COC(=O)C[C@H](c1c(O)cc(C)n(CCc2cnc[nH]2)c1=O)c1cccc2ccccc12 604419624 IPWPQNPNZSRZGP-NRFANRHFSA-N 431.492 3.676 0 40 IHAB CCN1CCOc2ccccc2CCCC[C@@]2(CN(C(=O)c3ccccc3)CCO2)C1=O 643556834 OEBMLDJDZQFVBO-AREMUKBSSA-N 436.552 3.552 0 40 IHAB CN1C(=O)COc2ccccc2CCCCO[C@H]2CN(Cc3ccccc3Cl)C[C@@H]21 2037981151 WXQKYAMYKCKMCT-GMAHTHKFSA-N 428.960 3.783 0 40 IHAB COc1ccccc1CN(Cc1cc2cccc(C)c2n2nnnc12)C(=O)c1ccncc1 1376869 SKPGDBRGEVXNNL-UHFFFAOYSA-N 438.491 3.832 0 40 IHAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 2616912 RUDJHKKAHMYGBJ-INIZCTEOSA-N 446.809 3.888 0 40 IHAB COc1ccc(O)c(C(=O)c2cnn(-c3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)c2)c1 3285001 RERBGGZKRJAMJB-UHFFFAOYSA-N 448.500 3.959 0 40 IHAB Cc1noc(C)c1C(=O)N(CC(=O)Nc1ccccc1Br)Cc1ccco1 3432137 BXLVMKWEESBKEL-UHFFFAOYSA-N 432.274 3.928 0 40 IHAB CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CCC[C@H](C)C3)cc2c1 6198361 PFYSSDAYXSPBCB-MHECFPHRSA-N 442.567 3.947 0 40 IHAB CCN1C(=O)c2ccccc2N(CC(=O)OC)[P@]1(=O)C(=S)Nc1ccc(OC)cc1 8450734 JLSWSRMTWYYCFY-LJAQVGFWSA-N 447.453 3.740 0 40 IHAB COc1ccc(CN2C(=O)[C@@](O)(CC(=O)c3ccccc3OC)c3ccccc32)cc1OC 8919138 UUXDWZYXDPGYAA-AREMUKBSSA-N 447.487 3.720 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(C(=O)c2ccco2)CC3)cc1Cl 8977218 ALSRGEMFMNSCFO-UHFFFAOYSA-N 446.912 3.941 0 40 IHAB COc1ccc(S(=O)(=O)c2cn(C)c3cc(N4CCC(C)CC4)c(F)cc3c2=O)cc1 9119265 ZKEHBXZDGGTXNH-UHFFFAOYSA-N 444.528 3.755 0 40 IHAB Cc1ccc(Cn2c(=O)c3c(nc4n3C[C@@H](C)CN4c3cc(C)cc(C)c3)n(C)c2=O)cc1 9160538 IDFZLHGGJGEZIT-IBGZPJMESA-N 443.551 3.658 0 40 IHAB Cc1ccc(-n2nc(C)cc2NC(=O)CSc2nnc(NC[C@H]3CCCO3)s2)cc1 9365894 BFHHDPUJYPBYRU-MRXNPFEDSA-N 444.586 3.662 0 40 IHAB Cc1cccc(NC(=O)CSc2nnc(Cn3c(=O)sc4ccccc43)n2C)c1C 9413118 ZNLHHLVBUCWQIU-UHFFFAOYSA-N 439.566 3.587 0 40 IHAB COc1ccc(C2=NN(C(=O)COC(=O)c3n[nH]c4ccccc34)[C@H](c3ccco3)C2)cc1 9492050 QFNPRKNVIVDJJA-FQEVSTJZSA-N 444.447 3.699 0 40 IHAB CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1=C(Cl)CCCC1 9584668 SFGCSWMZOZTAIE-UHFFFAOYSA-N 442.965 3.500 0 40 IHAB CN1C(=O)N(CC(=O)N2CCC(c3nc4ccccc4s3)CC2)C(=O)C12CCCCC2 9816462 JTCDQQCMOHMWQV-UHFFFAOYSA-N 440.569 3.599 0 40 IHAB COc1ccc([C@@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3ncnn32)cc1OC 9906963 CMWPIWMASQYCMM-LJQANCHMSA-N 425.876 3.876 0 40 IHAB C[C@H]1CCc2ccccc2N1C(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O 9990444 ZQTSNEYNHCPXPY-QLXKLKPCSA-N 427.504 3.975 0 40 IHAB C[C@H](OC(=O)[C@H](C)Oc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 10211872 RJNWWWQAQDQHDD-HOTGVXAUSA-N 432.904 3.514 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)c(C)c1 10447259 KVFHTTZLYHEQNW-KRWDZBQOSA-N 432.542 3.582 0 40 IHAB CCOC(=O)CN(C(=O)CSc1nncn1-c1cccc(Cl)c1)c1ccccc1 11523174 VQCNPQTWGJVJBN-UHFFFAOYSA-N 430.917 3.609 0 40 IHAB CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)CC)CCC3)c(C)c1 12180583 MVUMBWSPECJQKA-UHFFFAOYSA-N 429.542 3.834 0 40 IHAB NC(=O)c1cc2ccccc2nc1C1CCN(C(=O)COc2ccc(F)c(Cl)c2)CC1 12254903 KQIKZWCNNOBKEZ-UHFFFAOYSA-N 441.890 3.911 0 40 IHAB CCN(CC)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(C)nc1 12527459 OFQWNQYGJUGWLA-UHFFFAOYSA-N 430.574 3.663 0 40 IHAB CN(C(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)[C@@H]1CCS(=O)(=O)C1 12529724 LBCJYYIZCLJNEP-GOSISDBHSA-N 442.562 3.746 0 40 IHAB COc1ccc([C@@H]2Nc3ccccc3C(=O)N2CCCN2CCOCC2)cc1OC(F)F 12609180 SBQNMJOQFYBBTE-OAQYLSRUSA-N 447.482 3.585 0 40 IHAB COc1cccc2sc(NC(=O)[C@@H](CCSC)NC(=O)COc3ccccc3)nc12 12617160 YNPHWRLBOUBBRE-OAHLLOKOSA-N 445.566 3.560 0 40 IHAB CC(C)NS(=O)(=O)c1ccc(NC(=O)C2C[C@@H]3CC[C@H](C2)C32SCCS2)cc1 12738148 RLRSSIFOFPBWMS-MQVJKMGUSA-N 440.656 3.924 0 40 IHAB Cc1ccc(CNC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1 12782865 JRDHZEQHJNKQSP-GHTZIAJQSA-N 439.556 3.858 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N(C)c2nc3ccccc3s2)cc1 12811885 PDDWTTZJNDKMBP-GOSISDBHSA-N 429.567 3.811 0 40 IHAB O=C1CC[C@@]2(C(=O)OCc3cc(-c4ccccc4)no3)N1c1ccccc1C(=O)N2C1CC1 12818877 QHOJARQPAMFZEP-VWLOTQADSA-N 443.459 3.526 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Oc4ccccc4)cc3)CC2)s1 12973183 ULQBHKBYYPOUKH-UHFFFAOYSA-N 442.562 3.996 0 40 IHAB COc1ccc(-c2nnc(S)n2CC(=O)NCCc2ccc(C(F)(F)F)cc2)cc1 12999198 CFLMRYQVZRBDCU-UHFFFAOYSA-N 436.459 3.620 0 40 IHAB NC(=O)c1c(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)sc2c1CCCC2 13100815 IOQNLBBCXHJRIH-AWEZNQCLSA-N 445.972 3.870 0 40 IHAB CCc1cccc(NC(=O)Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3sccc32)c1 13533392 ASIINCPGMBLXNO-UHFFFAOYSA-N 437.496 3.613 0 40 IHAB CCOc1cc(/C=C2/N=C(c3ccc(CC)cc3)OC2=O)cc(Cl)c1OCC(N)=O 13564656 HNTKHKJCXNPDPU-LICLKQGHSA-N 428.872 3.510 0 40 IHAB CCOc1ccc(S(=O)(=O)NCc2ccccn2)cc1NC(=O)c1ccc(Cl)cc1 13566394 ORZVSPRLBNCHQU-UHFFFAOYSA-N 445.928 3.865 0 40 IHAB COc1ccc(C(=O)O)cc1NC(=O)/C(=C\c1ccc(F)cc1)NC(=O)c1ccccc1 13575707 OWWRGXMZNJWHHX-DEDYPNTBSA-N 434.423 3.942 0 40 IHAB C[C@@H](NC(=O)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1)c1ccccc1 13678353 BWELCEWXOZCUDL-WZONZLPQSA-N 436.533 3.661 0 40 IHAB c1ccc(NNc2nnnc3c2sc2nc(N4CCOCC4)c4c(c23)CCCC4)cc1 13756428 NSNYACPNCZWHDY-UHFFFAOYSA-N 433.541 3.789 0 40 IHAB C[C@@H](Sc1ncc(-c2ccccc2)nn1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 13844151 SUDNQBPIMRYPNX-GFCCVEGCSA-N 439.566 3.697 0 40 IHAB CCc1ccc(-c2nc(C(=O)N3CCN(CC(=O)N4CCCCCC4)CC3)cs2)cc1 14141459 IQJFUBMVZOAXMI-UHFFFAOYSA-N 440.613 3.533 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCc4sccc4[C@H]3C)CC2)cc1C 14190285 LXUAHDPGUJZDJF-QGZVFWFLSA-N 432.611 3.912 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1[C@H]1C(=O)NCCN1C(=O)c1oc2ccccc2c1C 14237482 AYXGRBOGHGDEAA-QFIPXVFZSA-N 428.492 3.857 0 40 IHAB CCn1c2ccccc2c2cc(NC(=O)CCNC3=NS(=O)(=O)c4ccccc43)ccc21 15596412 HZLMZECJBJRPNX-UHFFFAOYSA-N 446.532 3.882 0 40 IHAB O=C(NC1CCCCC1)[C@@H](c1ccncc1)N(C(=O)c1csnn1)c1ccccc1F 15936182 GPLDLBYBSCIFPN-HXUWFJFHSA-N 439.516 3.909 0 40 IHAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Cc1cc(Cl)c2c(c1)OCCCO2 16234836 KYCYJCHMTWPUDC-OAHLLOKOSA-N 426.904 3.844 0 40 IHAB CCN(c1ccc(NC(=O)COC(=O)c2sc3nc(C)[nH]c(=O)c3c2C)cc1)C(C)C 16678053 LKAQCRVBPHDSEJ-UHFFFAOYSA-N 442.541 3.632 0 40 IHAB CNc1cc([C@@H]2CCCN(S(=O)(=O)c3ccc(C)c(F)c3)C2)nc(-c2cccnc2)n1 19214512 PFVCKWXAHWSANC-QGZVFWFLSA-N 441.532 3.596 0 40 IHAB COc1ccc(OC)c(CN2CCC([C@@H](NC(=O)c3ccccn3)c3ccccn3)CC2)c1 19551467 ZOHODIDTIQEUCD-RUZDIDTESA-N 446.551 3.877 0 40 IHAB Cc1cc(O[C@H](C)C(=O)N2CCC[C@@H](c3noc(-c4cnccn4)n3)C2)cc(C)c1Cl 19569893 ZXOAUBXHHNSLEZ-HZPDHXFCSA-N 441.919 3.970 0 40 IHAB CNC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2c(OC)cccc2OC)C1 19591664 DSCVKIUKDMEAST-HHHXNRCGSA-N 445.563 3.947 0 40 IHAB CN(C)c1ncc(-c2cccc(C(N)=O)c2)c(C2CCN(Cc3ccccc3F)CC2)n1 19694109 HZWJNVGXJQDKNI-UHFFFAOYSA-N 433.531 3.827 0 40 IHAB Cc1nc([C@]2(O)CCCN(Cc3ccnn3C)CC2)sc1CCOc1ccccc1 19738716 URKKURHTBZXNSC-QHCPKHFHSA-N 426.586 3.680 0 40 IHAB COc1ccccc1NC(=O)c1cnc([C@H]2CCCN2C(=O)c2ccnn2C(C)C)nc1C 19755437 LPIMWMZQRZAEOS-LJQANCHMSA-N 448.527 3.801 0 40 IHAB Cc1nc([C@H]2CCCCN2C(=O)c2ccc(N)nc2)ncc1C(=O)Nc1ccccc1F 19764726 VPUYDOBWBLUUKQ-LJQANCHMSA-N 434.475 3.521 0 40 IHAB CCOc1ccccc1CNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 20036731 ONNUENNLLHDGNT-UHFFFAOYSA-N 436.961 3.843 0 40 IHAB COC(=O)c1c(NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)sc2c1CCCC2 20046755 HZUQIQCTUKQHMT-UHFFFAOYSA-N 442.946 3.691 0 40 IHAB Cc1ccccc1OCCSc1nc2ccccc2c(=O)n1CCCN1CCOCC1 21672503 FAEJKSJQHYCLHT-UHFFFAOYSA-N 439.581 3.598 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3nc(C(C)(C)C)cs3)C2)s1 22691790 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3.793 0 40 IHAB CCSc1nnc(NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)s1 224943433 SKCSHGJDLSQEBQ-UHFFFAOYSA-N 448.595 3.793 0 40 IHAB CC[C@H](NS(=O)(=O)c1nnc(NC(=O)c2ccc(C)cc2)s1)c1ccc(OC)cc1 225321994 WGDQNNUJIOPPQO-KRWDZBQOSA-N 446.554 3.537 0 40 IHAB Cc1ccc(CNC(=O)CCc2nc(-c3ccc(I)cc3)no2)cc1 225837552 CZVVIJIYYDVUFK-UHFFFAOYSA-N 447.276 3.899 0 40 IHAB COc1cccc(C(=O)N(CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c2ccccc2C)c1 226408232 YHRFHSKJRRFPRY-ICTYLJJWSA-N 442.515 3.661 0 40 IHAB Cc1cc(N2CCC(CNS(=O)(=O)c3ccc(-c4coc(C)n4)cc3)CC2)ccn1 240122662 WFTGAJVCNJYSDP-UHFFFAOYSA-N 426.542 3.548 0 40 IHAB Cc1ccc(CN(CC(=O)O)C(=O)[C@H]2CC[C@H](O)[C@@H](Nc3ccc(F)cc3)CC2)cc1 257206551 BDZDEEMYKINGJK-COPCDDAFSA-N 428.504 3.579 0 40 IHAB COc1ccccc1CC(=O)N1CCC(c2n[nH]cc2C(=O)N2[C@H](C)CCC[C@H]2C)CC1 257232506 GLDAGASFSWDDAN-QZTJIDSGSA-N 438.572 3.770 0 40 IHAB Cc1nc([C@@H]2CCCN(C(=O)c3ccccn3)C2)nc(C)c1CC(=O)Nc1ccccc1F 257309856 UCRAULVOMDIING-GOSISDBHSA-N 447.514 3.829 0 40 IHAB CC[C@H](NC(=O)[C@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1)c1ccc2c(c1)CCCC2 260932940 NLJVJUXHVMIMFE-SBUREZEXSA-N 444.597 3.996 0 40 IHAB CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 408600853 CVHIVCSJQQNDHT-JTQLQIEISA-N 436.839 3.673 0 40 IHAB CC(=O)Nc1cccc(-c2nc(SCC(=O)Nc3ccc(Br)cc3)n[nH]2)c1 408637174 GMFDXHRJVPFYBE-UHFFFAOYSA-N 446.330 3.923 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2c(C)cccc2C)cc1 408668444 TVJPBIGJQSYZQA-UHFFFAOYSA-N 440.496 3.771 0 40 IHAB COc1ccc(NC(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)c(OC)c1 408702264 AMWLMGWEIIIEOK-UHFFFAOYSA-N 426.494 3.785 0 40 IHAB COc1cc(/C=C2\SC(=N)NC2=O)cc(Br)c1OC(=O)c1ccccc1 408882794 QXLSWDCPJVDHQK-ZROIWOOFSA-N 433.283 3.816 0 40 IHAB O=C(N[C@@H]1CCN(C(=O)COc2ccccc2)C1)N[C@@H](c1ccc(F)cc1)C1CCC1 511458937 DXTCDYIGUDVBHA-NFBKMPQASA-N 425.504 3.646 0 40 IHAB O=C1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@@H]3Cc3ccccc3)cc2N1 604762384 ZRMMSRPPIFIZDG-MRXNPFEDSA-N 449.370 3.730 0 40 IHAB CC(=O)N1CCCCCCCN(C(=O)CCNc2nc(C)cc(C)n2)Cc2ccccc21 643553266 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C[C@@H](Sc1nc(CN2CCOCC2)nc2ccccc12)C(=O)N1CCc2ccccc21 14710519 OMVXATDQGDWCJL-QGZVFWFLSA-N 434.565 3.532 0 40 IHAB O=C(NCc1ccccc1)C1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 15337020 LIMPAJLTTUJEHJ-UHFFFAOYSA-N 427.353 3.711 0 40 IHAB COc1ccc(C(=O)Oc2ccc(Br)cc2Cl)cc1S(=O)(=O)N(C)C 15656810 FVBYRVLDZNXLRK-UHFFFAOYSA-N 448.722 3.581 0 40 IHAB CCCCC(=O)Nc1cccc(C(=O)OCc2cc(=O)n3nc(C4CC4)sc3n2)c1 15772000 BUTQHUHIQPKQIW-UHFFFAOYSA-N 426.498 3.514 0 40 IHAB Cc1cc(C(=O)Nc2ccn(Cc3ccc(Br)cc3)n2)c2c(C)nn(C)c2n1 17103060 FHKXSBDIIBLUIY-UHFFFAOYSA-N 439.317 3.845 0 40 IHAB COc1ccc(-c2nnc([C@@H](C)Sc3nnc(N4CCOCC4)n3CC(C)C)o2)cc1 19353641 UNZPSZKBRXNRTJ-OAHLLOKOSA-N 444.561 3.683 0 40 IHAB COc1cccc(-c2noc([C@H]3CN(C(=O)c4c(C)n(C)c5ccccc45)CCO3)n2)c1 19581752 JDJUVGYQDJFJJD-HXUWFJFHSA-N 432.480 3.759 0 40 IHAB CN(C)c1ncc(-c2ccccc2)c([C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)n1 19694501 XBOGALLNKAAZEO-GOSISDBHSA-N 440.544 3.917 0 40 IHAB COc1cccc(OC)c1-c1cnc(N(C)C)nc1[C@@H]1CCCCN1C(=O)c1cccnc1 19694847 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O=C(CSc1nc2ccccc2s1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 24301735 CHDUJUJWGQJCSS-UHFFFAOYSA-N 425.579 3.668 0 40 IHAB CCSc1ccccc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 30751801 HEYJFICUYBRQOH-INIZCTEOSA-N 426.947 3.618 0 40 IHAB O=C(N[C@H]1CCCc2ccccc21)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 30865808 UCOJLOLKAIHBSZ-URXFXBBRSA-N 448.544 3.837 0 40 IHAB CC1CCN([C@@H](CNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c2cccs2)CC1 31075524 YIVCKJQDSNVKOZ-FQEVSTJZSA-N 447.626 3.626 0 40 IHAB CC1CCN([C@@H](CNC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)c2cccs2)CC1 31487275 RVINQOYUAJDLSW-OOTRUBSTSA-N 443.657 3.970 0 40 IHAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1 32408796 SABHEBUHQDVRSR-UHFFFAOYSA-N 438.484 3.766 0 40 IHAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc(CN2C(=O)CCC2=O)cc1 32738065 ANKZXUVKGTYMOE-UHFFFAOYSA-N 430.489 3.964 0 40 IHAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)Cc1csc(-c2cccs2)n1 32740774 RIJHEGSSNHVLLI-UHFFFAOYSA-N 443.550 3.673 0 40 IHAB O=C(/C=C/c1cc(Br)ccc1F)NCc1ccc(CN2CCOCC2)cc1 32902630 BKHRZNWZFOTORA-VMPITWQZSA-N 433.321 3.750 0 40 IHAB Cc1nc2ccccc2nc1COC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1 32947302 UXZVNWVAXPNXMF-MRXNPFEDSA-N 439.537 3.858 0 40 IHAB CCOc1ccc([C@H](c2nnnn2C(C)(C)C)N2CCN(Cc3ccccc3)CC2)cc1 35291375 FMTLAURJUYWTHV-HSZRJFAPSA-N 434.588 3.734 0 40 IHAB CN(Cc1ccccc1)C(=O)N1CCN(C(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)CC1 36396895 HVNXHJNWKHCRSC-UHFFFAOYSA-N 437.931 3.740 0 40 IHAB CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 36433563 WVEXKPRXFSSYRA-MDOVXXIYSA-N 425.485 3.686 0 40 IHAB CC(C)(C)c1ccc(OC[C@@H](O)CNC[C@@H](c2ccc(F)cc2)N2CCOCC2)cc1 40160692 GZNFRCKLBVELQI-UPVQGACJSA-N 430.564 3.526 0 40 IHAB Cc1ccc(-c2noc(C3CCN(CC(=O)N4CCN(c5ccccc5)CC4)CC3)n2)cc1 49403553 AJZMXTMWDJZNHD-UHFFFAOYSA-N 445.567 3.573 0 40 IHAB COCCN1CCN(c2cc(-c3ccccc3)nc3cc(-c4cccc(F)c4)nn23)CC1 57712244 FBXCANGVJBRBNR-UHFFFAOYSA-N 431.515 3.971 0 40 IHAB CCN1CCc2c(sc3nc(SCCCOC)n(-c4cccc(OC)c4)c(=O)c23)C1 58161969 AOEKPGDBDWWAPP-UHFFFAOYSA-N 445.610 3.962 0 40 IHAB CC(C)(C)OC(=O)N1CCN(CCCNC(=O)CCCc2c[nH]c3ccccc23)CC1 59021996 NQMHLEUIXJQHIH-UHFFFAOYSA-N 428.577 3.550 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc1 61109318 BMMUXTZHSYOFSM-UHFFFAOYSA-N 440.569 3.831 0 40 IHAB Cc1ccc(Sc2nccn3c(=O)n(CC(=O)Nc4ccc5c(c4)CCC5)nc23)c(C)c1 67255725 YLJYWMBYTIADFU-UHFFFAOYSA-N 445.548 3.786 0 40 IHAB C[C@@H](NC(=O)N1CCN(c2cccc(Cl)c2)CC1)C(=O)Nc1ccc2cc[nH]c2c1 71328812 YRFOABQIWQSPHW-OAHLLOKOSA-N 425.920 3.680 0 40 IHAB Cc1cccc(CC(=O)N2CCC(Cc3cccc(-c4cccnc4)c3)(C(N)=O)CC2)c1 72345263 LTBCDCFQJXMREU-UHFFFAOYSA-N 427.548 3.936 0 40 IHAB CCn1ncc(S(=O)(=O)N2CCC[C@H](c3cccc(-c4ccc(F)cc4)n3)C2)c1C 72350169 XVIIXGSHDQLYEB-SFHVURJKSA-N 428.533 3.981 0 40 IHAB CCCOc1ccc(CN(CCCN(C)C)C(=O)c2cccc3c2OCCO3)cc1OC 84758599 NIMRVMHVLDCRLP-UHFFFAOYSA-N 442.556 3.849 0 40 IHAB COc1ccc(NC(=O)c2cnn3c2NC(C(=O)O)=C[C@@H]3c2cccs2)cc1Cl 102810885 KVWIBVZNLOWLLH-CQSZACIVSA-N 430.873 3.842 0 40 IHAB C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4C(=O)[C@@H](O)[C@]3(C)[C@H]1[C@H]2C 118936262 DGRJLOFFNWNGJO-IAMDMARPSA-N 446.628 3.944 0 40 IHAB COc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3cccc4ccccc34)n2)c(OC)c1 219049103 QPGBIYMQZOEYBH-OAHLLOKOSA-N 433.464 3.991 0 40 IHAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCS[C@H](c2ccc3c(c2)OCO3)CC1 219264264 XVYVWWNCDODJOR-IBGZPJMESA-N 437.587 3.678 0 40 IHAB CN(CCCNC(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O)c1ccccc1 219634177 LGXUSVCQPMCMPQ-UHFFFAOYSA-N 437.993 3.529 0 40 IHAB Cc1ccc(OC[C@@H](C)NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 220007714 QGDRKJLUSLPCSC-LJQANCHMSA-N 430.570 3.757 0 40 IHAB CCCOc1ccccc1CCCNC(=O)[C@@H](C)N(c1ccccc1F)S(C)(=O)=O 220318896 LZNATUWLFZWFMX-QGZVFWFLSA-N 436.549 3.518 0 40 IHAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2Cc2cccnc2)N1Cc1ccncc1 223490219 SFLZABSGZJIEGT-PKTZIBPZSA-N 426.549 3.894 0 40 IHAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N[C@H](C)CC(C)(C)c1ccccc1 223505999 XXBZQRCZAHANBM-GOSISDBHSA-N 446.613 3.751 0 40 IHAB COc1ccc(OCCNC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2C)cc1 224079187 RXDZJYBXJIFABE-UHFFFAOYSA-N 440.521 3.613 0 40 IHAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CCc1ccc2c(c1)OCCO2 224551334 KJKMAKRFNWVINK-JOCHJYFZSA-N 438.568 3.970 0 40 IHAB CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H]3CC(C)(C)Oc4ccc(OC)cc43)ccc21 224758543 MWSYIXWEJXSQCJ-LJQANCHMSA-N 444.553 3.575 0 40 IHAB Cc1nccn1-c1ccccc1CNS(=O)(=O)c1ccc2c(c1)sc(=O)n2C(C)C 225712327 GQEOJMKQWGEDHI-UHFFFAOYSA-N 442.566 3.617 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC3(CC2)CC(=O)c2cc4c(cc2O3)CCCC4)cc1 225826078 CDNGPDOKXMPKPF-UHFFFAOYSA-N 441.549 3.763 0 40 IHAB C[C@H](Sc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)C(=O)N[C@@H](C)c1ccccc1 245283966 PIUYPXUTSDKKIW-JENIJYKNSA-N 437.565 3.934 0 40 IHAB C[C@@H]1CCC[C@@H](C)N1CCCNC(=O)[C@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2N1 257221788 DQMLBQBBDFSEDV-LNYJIDJHSA-N 438.616 3.744 0 40 IHAB Cc1ccn2c(CN3CCO[C@@H](c4cccc(-c5cccc(C(N)=O)c5)n4)C3)c(C)nc2c1 257231630 GHNWHMCNYISDQL-XMMPIXPASA-N 441.535 3.686 0 40 IHAB CC(C)n1cnc([C@@H]2CN(Cc3ccsc3)C[C@]23CCN(Cc2cccnc2)C3=O)c1 306140798 VEJQGDQBXYEMSN-XUZZJYLKSA-N 435.597 3.939 0 40 IHAB O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl)Nc1ccc(F)cc1 408556134 HXIFIQPBUIHWAU-UHFFFAOYSA-N 426.897 3.671 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(F)c2)C1 408590676 KHXRPGISBVUQMF-ZDUSSCGKSA-N 426.897 3.527 0 40 IHAB Cc1ccc(C)c(NC(=O)CCC(=O)OCC(=O)Nc2ccc(Br)cc2)c1 408661248 FGQYTSTZZQAONI-UHFFFAOYSA-N 433.302 3.967 0 40 IHAB Cc1cnc(Nc2cncc(C3CCN(S(=O)(=O)c4ccccc4Cl)CC3)n2)s1 585262649 OJOVKCWZKXPRTM-UHFFFAOYSA-N 449.989 4.207 0 40 IHAB C=CC(=O)N1CCC(C(=O)N2CCN(c3ccc(C)c(C)c3)CC2)(c2ccccc2)CC1 1610067115 ZQQWSEHATIRNON-UHFFFAOYSA-N 431.580 3.698 0 40 IHAB COc1ccc(CN2CCC3(CC2)CNC(=O)COc2ccccc2CCCCO3)cc1 2037985248 CPCIJUFELCRUMG-UHFFFAOYSA-N 438.568 3.578 0 40 IHAB COc1ccc(-c2cnc(N3CCN(C(=O)[C@H]4CC[C@H](C)CC4)CC3)c3nccn23)cc1 2055713275 RVGWZQPYQZVHIJ-KESTWPANSA-N 433.556 3.880 0 40 IHAB COc1ccccc1NC(=O)Cn1nnc(-c2ccccc2NC(=O)c2ccccc2C)n1 1372759 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Cc1c(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)oc2ccc(Br)cc12 3517303 RPOJPAQRNBCLHY-UHFFFAOYSA-N 446.253 3.706 0 40 IHAB CC(C)CNC(=S)N(Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 6015124 FTIBBUQVLLCNSB-UHFFFAOYSA-N 441.528 3.929 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CN2c3ccccc3CC[C@@H]2C)c1 6822454 CSVZJPFEQNXILH-SFHVURJKSA-N 429.586 3.805 0 40 IHAB COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2C(C)(C)CO[C@@H]3c2ccccc2)cc1 8971255 YGJXOHQKXGDKKT-HSZRJFAPSA-N 445.519 3.569 0 40 IHAB CN(C[C@@H]1COc2ccccc2O1)C(=O)CN1CCC(c2nc3ccccc3s2)CC1 9057950 VPXPNJKCWRHERV-GOSISDBHSA-N 437.565 3.774 0 40 IHAB COc1ccc(NC(=O)CSc2nc3cc(Br)c(C)nc3[nH]2)cc1OC 9308484 JGXINZUPLTXCDY-UHFFFAOYSA-N 437.319 3.777 0 40 IHAB COC(=O)c1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(C(F)(F)F)c2)cc1 9373385 KKOBNMUOEIGIMA-KRWDZBQOSA-N 433.386 3.759 0 40 IHAB O=C(COc1ccc(Br)cc1)Nc1ccc(-c2nn3cnnc3s2)cc1 9427065 UMESEDOATIYMNT-UHFFFAOYSA-N 430.287 3.633 0 40 IHAB COc1ccc(/C=C2/N=C(c3ccccc3I)OC2=O)c(OC)c1 9453117 PTRRIXHKWOYTPT-OQLLNIDSSA-N 435.217 3.653 0 40 IHAB Cc1ccc(-c2csc3ncn(CC(=O)Nc4ccc5c(c4)OCCO5)c(=O)c23)s1 9462417 LCMAOMZKUCZSGT-UHFFFAOYSA-N 439.518 3.905 0 40 IHAB CN(C)S(=O)(=O)N(CC(=O)Nc1ccccc1Oc1ccccc1)c1ccccc1 9584445 WCUISNVXALNSHD-UHFFFAOYSA-N 425.510 3.730 0 40 IHAB COc1ccc(-c2nc3n(n2)[C@H](c2ccncc2)C(C(=O)Nc2cccnc2)=C(C)N3)cc1 9638018 ZUQDIOAWXXHIDZ-OAQYLSRUSA-N 439.479 3.671 0 40 IHAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc(-c3cn4ccsc4n3)cc1)C2=O 9713869 AJVNPBYSLJBZCK-JLCFBVMHSA-N 437.525 3.502 0 40 IHAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1ccc(N2CCOCC2)nc1 11153075 BWOCVJWRPUUIBH-UHFFFAOYSA-N 430.867 3.604 0 40 IHAB CCCN1C(=O)COc2ccc(-c3csc(NC(=O)c4ccc5c(c4)OCO5)n3)cc21 11969178 KBVVTGRGECDQSI-UHFFFAOYSA-N 437.477 3.927 0 40 IHAB CS(=O)(=O)N(CC(=O)N1CCC[C@H](c2cc3ccccc3cn2)C1)c1ccccc1F 12188158 LGNFVFQJRTXTAI-IBGZPJMESA-N 441.528 3.546 0 40 IHAB C[C@@H](SCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C(=O)N[C@H](C)c1ccccn1 12565475 SFSDHRHDDYGDJP-CHWSQXEVSA-N 428.583 3.758 0 40 IHAB O=C(c1cc(Cl)c2c(c1)OCCCO2)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 12697374 ZPSBYZGDRXZSOK-UHFFFAOYSA-N 427.888 3.622 0 40 IHAB COc1ccc(C(=O)NCc2ccccc2F)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C 13041350 GSOABEACXNIAQE-DNVCBOLYSA-N 434.533 3.621 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(CCc3c[nH]c4ccc(F)cc34)C2)cc1 13944830 RRXFXGZOLDMEFL-KRWDZBQOSA-N 437.471 3.513 0 40 IHAB CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CC[C@H]4CCCC[C@@H]4C3)CC2)c1 15590118 QJSHHDQTASZPBQ-STZQEDGTSA-N 446.613 3.765 0 40 IHAB Cc1c(C(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)oc2ccc(F)cc12 15854004 RRFBJJNARRVMAA-OKILXGFUSA-N 446.500 3.931 0 40 IHAB C[C@H](NC(=O)CCC(=O)c1ccc(Br)cc1)c1ccc(S(C)(=O)=O)cc1 16108746 BUDDYFGUDOLLTH-ZDUSSCGKSA-N 438.343 3.693 0 40 IHAB O=C(CCc1csc(NS(=O)(=O)c2ccc(F)cc2)n1)N1CCc2ccccc2C1 16848462 BDFUJEILQJWNOO-UHFFFAOYSA-N 445.541 3.601 0 40 IHAB CO[C@@H]1CCC[C@@H](C(=O)NC2CCN(c3ncc(-c4cc(C)no4)c(C4CC4)n3)CC2)C1 19121696 HKZVMCFSWJIHFT-IEBWSBKVSA-N 439.560 3.608 0 40 IHAB Cc1ccnn1CCC(=O)N1CCC[C@](Cc2cccc(-c3cccc(F)c3)c2)(C(N)=O)C1 19238424 BPLDHUPJZUECTF-AREMUKBSSA-N 448.542 3.725 0 40 IHAB Cc1ccc([C@H](NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)c2cccs2)cc1 19296754 USSPFKVDEFFJCK-WIOPSUGQSA-N 445.544 3.656 0 40 IHAB CCOc1ncc(C2(O)CCN(Cc3ccc4cc(OC)ccc4c3)CC2)c(OCC)n1 19531737 QSXFCFXNBUXAEJ-UHFFFAOYSA-N 437.540 3.919 0 40 IHAB CCOc1ccc(CN2CCC[C@@](Cc3ccccc3-c3cncnc3)(C(N)=O)C2)cc1 19533221 DBEFMNHBMYTTBG-SANMLTNESA-N 430.552 3.853 0 40 IHAB COc1ccc(-c2n[nH]cc2CN2CCO[C@H](c3c(C(N)=O)sc4ccccc34)C2)cc1 19697621 IZHLXNKEDKJHSD-IBGZPJMESA-N 448.548 3.972 0 40 IHAB COc1cccc(CN2C(=O)CCc3c(C)nc(CN(C)Cc4cnc(C)s4)nc32)c1 19698663 HSSYHIRJIZTBJA-UHFFFAOYSA-N 437.569 3.670 0 40 IHAB COc1ccc(CC(=O)N2CC[C@H](c3ncc(C(=O)Nc4ccccc4F)c(C)n3)C2)cc1 19758014 WBWNGGCCQNOQTG-SFHVURJKSA-N 448.498 3.744 0 40 IHAB Cc1nc([C@H]2CCCCN2C(=O)c2snnc2C)ncc1C(=O)Nc1ccc(F)cc1 19765103 ALCNMTWYUPDEAT-QGZVFWFLSA-N 440.504 3.704 0 40 IHAB O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl)Nc1ccc(F)c(F)c1 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CCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NCc1nc(-c2ccco2)no1 24839116 GLDFWHIHPDSMFZ-UHFFFAOYSA-N 433.534 3.794 0 40 IHAB CCOC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2OC)c(Br)c1 26546318 SYKBECZKJGBYOL-UHFFFAOYSA-N 432.267 3.574 0 40 IHAB Cc1cc(=O)c(C(=O)Nc2cccc(-c3nnco3)c2)nn1-c1ccccc1C(F)(F)F 27110823 HPLPBYILTLTESE-UHFFFAOYSA-N 441.369 3.862 0 40 IHAB O=C(COc1ccc2oc3ccccc3c2c1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 29360606 RSYAHVQEDHZWPO-KRWDZBQOSA-N 427.522 3.923 0 40 IHAB O=C(c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)N1CCn2c1nc1ccccc12 29375477 SLYULVDFZFRVNL-UHFFFAOYSA-N 444.944 3.525 0 40 IHAB Cc1ccccc1[C@@H](NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O)c1ccccc1 30874030 ISARZXVSDHBOPJ-QHCPKHFHSA-N 426.513 3.806 0 40 IHAB COc1ccc(CNC(=O)c2ccc3c(=O)n(-c4cccc(Cl)c4)cnc3c2)cc1OC 32101404 PEHGJYUOSXXYMM-UHFFFAOYSA-N 449.894 3.986 0 40 IHAB CC1CCN(Cc2ccc(CNS(=O)(=O)c3ccc4oc(=O)ccc4c3)cc2)CC1 32771347 GXBOOTXDLGXBIT-UHFFFAOYSA-N 426.538 3.503 0 40 IHAB Cc1ccc(O)c(C(=O)N2CCC(C(=O)OCC(=O)c3cc(C)n(C(C)C)c3C)CC2)c1 32913733 PNCDIQMYKOXZAI-UHFFFAOYSA-N 440.540 3.978 0 40 IHAB CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)NCC(=O)Nc1cc(Cl)ccc1Cl 32967432 WHPAJJLBASYHDT-SFHVURJKSA-N 437.327 3.894 0 40 IHAB COc1ccc(OCc2nnc(SCc3cc(=O)c4cc(OC)ccc4[nH]3)n2C)cc1 33067729 RDUOZCYHXOVXLJ-UHFFFAOYSA-N 438.509 3.545 0 40 IHAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)[C@H]3COc4ccccc4C3)cc2)C1 34887466 SQIFQHSNJXFXQG-ZIFCJYIRSA-N 428.554 3.543 0 40 IHAB CC(C)c1noc(CCCC(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)n1 40134419 JIRIMUFSYHFSTO-UHFFFAOYSA-N 425.455 3.715 0 40 IHAB O=C(NCc1cccc(COCc2ccco2)c1)[C@@H]1CCCN(C(=O)N2CCCC2)C1 48261342 DXACPELIUPLMTG-OAQYLSRUSA-N 425.529 3.540 0 40 IHAB Cc1cc(C)c(NC(=O)Cn2cc(C(=O)N3CCCC3)c(=O)c3ccc(C)nc32)c(C)c1 49002219 LJOFGJQCKALSEX-UHFFFAOYSA-N 432.524 3.505 0 40 IHAB Cc1ccc(NC(=O)Cn2c(=O)n(Cc3ccccc3F)c(=O)c3sccc32)cc1C 57426796 KWUCTISRJCXDHE-UHFFFAOYSA-N 437.496 3.668 0 40 IHAB Cc1cccc(-c2noc(-c3cccnc3N3CCC(C(=O)NC[C@@H]4CCCO4)CC3)n2)c1 65131017 FSPWHXDWVDIDJX-FQEVSTJZSA-N 447.539 3.619 0 40 IHAB COC(=O)Cn1c2c(sc1=O)[C@H](c1ccc(F)cc1)CC(=O)N2c1ccc(F)cc1 66089730 ZQMRLJXWRAPBKS-INIZCTEOSA-N 430.432 3.561 0 40 IHAB Cc1ccc(O[C@H](C)C(=O)N2CCC([C@@H]3C[C@H](C(F)F)n4ncnc4N3)CC2)cc1C 72395681 CIQUNFRFBXJJAA-AYOQOUSVSA-N 433.503 3.591 0 40 IHAB O=C(N=c1[nH]c2ccccc2[nH]1)[C@@H]1c2ccccc2C(=O)N(C[C@@H]2CCCO2)C12CCCC2 72401974 XZEKDILIYOACTD-JTSKRJEESA-N 444.535 3.655 0 40 IHAB C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)c1ccc(S(C)(=O)=O)cc1S(C)(=O)=O 78988822 HRMFKHOGRJSIJK-KGLIPLIRSA-N 429.991 3.775 0 40 IHAB C[C@H]1Sc2ccc(C(=O)NCc3cc(Br)c4c(c3)OCCO4)cc2NC1=O 95377604 ZOIFIFGKFYRVPV-SNVBAGLBSA-N 449.326 3.583 0 40 IHAB CC(C)n1cnc2c(-c3cccnc3)nc(C3CCN(S(=O)(=O)C4CC4)CC3)cc21 96267180 JXKJSCGVGCAPRU-UHFFFAOYSA-N 425.558 3.746 0 40 IHAB COc1cccc(C(=O)COc2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@H]6C[C@H]56)[C@H]4C3=O)c2)c1 100854338 OZCJJVZTRAHVEG-FWDUKEBRSA-N 429.472 3.514 0 40 IHAB CC(C)(C)OC(=O)NCCCOc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc1 144763445 AZYSHDSVGUFBQN-KRWDZBQOSA-N 438.521 3.501 0 40 IHAB COc1ccccc1CCCNC(=O)[C@@H](C)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O 220368209 APTWDWYFPJOUAE-MRXNPFEDSA-N 438.977 3.561 0 40 IHAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)NCc2cccc3ccccc23)cc1 222659412 CGEFTOSRXGZZQE-QGZVFWFLSA-N 426.538 3.612 0 40 IHAB COc1cccc(N(C)C(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c1 222717079 HXJUQWFCWJUMPJ-UHFFFAOYSA-N 444.484 3.677 0 40 IHAB C[C@H](NC(=O)CN(c1ccc(C(F)(F)F)cc1)S(C)(=O)=O)c1ccc2c(c1)CCC2 223233879 WNWGQCUATKGTAP-AWEZNQCLSA-N 440.487 3.838 0 40 IHAB C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccc2c(c1)CCC2 223257866 VKYCGEXETYKDPV-MRXNPFEDSA-N 430.545 3.593 0 40 IHAB CCOc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1COc1ccccc1 224365017 ZBRYZPAKSZHWBG-UHFFFAOYSA-N 426.494 3.564 0 40 IHAB COc1ccccc1[C@@H](C)NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 224644951 QFQMHHYETCHBCB-QGZVFWFLSA-N 442.512 3.907 0 40 IHAB CCc1ccc(OCC(=O)NCc2cccc(CN3CCOCC3)c2)c(Br)c1 224732656 SKUTZHSHOGKAQZ-UHFFFAOYSA-N 447.373 3.539 0 40 IHAB CC(C)C(=O)Nc1nnc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)s1 225137219 VCGVBMHLHKOCTK-UHFFFAOYSA-N 430.555 3.524 0 40 IHAB COc1cccc(Cc2cccc([C@@H]3CN(C(=O)c4cn5ccc(C)cc5n4)CCO3)n2)c1 257240240 HSRKTSUEOFXUKI-DEOSSOPVSA-N 442.519 3.851 0 40 IHAB CCN1CCN(C(=O)c2cccnc2O)C[C@@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 257241724 HZIMHHWPKMFPFD-HXUWFJFHSA-N 447.510 3.757 0 40 IHAB CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(OCC(=O)N5CCCC5)cc4)OCC[C@@]31C2 257250940 JOQPCVABZWJTIZ-VSCLMIGZSA-N 440.584 3.706 0 40 IHAB Cc1ccc(CN2C[C@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccsc2)C3=O)s1 306127614 GDOQMCWZXNDYTF-FYYLOGMGSA-N 439.606 3.910 0 40 IHAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2c(c1)N(C)S(=O)(=O)N2C 390828532 RSDGERGQCCHZNQ-SNVBAGLBSA-N 430.313 3.530 0 40 IHAB C[C@H](NS(=O)(=O)c1ccc(O[C@H](C)C(=O)NC2CCCCC2)cc1)c1ccccc1 408596633 XFYUERFKEQHMQI-ZWKOTPCHSA-N 430.570 3.942 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccc(Br)cc2F)cc1C(=O)NC(C)C 408605010 MKBOOBLIXFZJQH-UHFFFAOYSA-N 429.311 3.836 0 40 IHAB COc1ccccc1NC(=O)COC(=O)CCC(=O)Nc1ccc(Br)cc1C 408643890 COBWSPYITKXOEH-UHFFFAOYSA-N 449.301 3.667 0 40 IHAB COc1ccc(NC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@H]([C@H]4C3=O)[C@@H]3C[C@@H]53)cc2)c(OC)c1 408671859 LSGKDENPCUJSMB-CXWWUJLYSA-N 444.487 3.514 0 40 IHAB COc1ccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5C=C(C)[C@@H](C5)[C@H]4C3=O)c2)c(OC)c1 408673738 UPKZMLCCRQADPL-HOWVWPRWSA-N 432.476 3.658 0 40 IHAB Cc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(C)cc2)cc1 409073828 TZDSJLUCLQKCAP-LMOLPZMTSA-O 432.931 3.973 0 40 IHAB O=C(COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)Nc1ccc(Cl)cc1 409122541 ZHSOIOUWYDDSJI-UHFFFAOYSA-N 444.940 3.879 0 40 IHAB COc1cc(C(=S)N2C[C@@H](C)O[C@H](C)C2)ccc1OCC(=O)Nc1ccc(F)cc1 409239834 QTCUJRQFSNFODU-HUUCEWRRSA-N 432.517 3.637 0 40 IHAB CC(C)(NC(=O)c1cccc(F)c1)C(=O)N1CCOC[C@H](Cc2ccc3cnccc3c2)C1 585262079 PIGKWFOWVCFTNE-LJQANCHMSA-N 449.526 3.600 0 40 IHAB CC(C)(CNC(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C)c1ccccc1Cl 590259902 OBVYKLHRTPEGLM-DEOSSOPVSA-N 439.943 3.733 0 40 IHAB Cc1cc(C(=O)N2CCCCN(C)C(=O)c3ccccc3OC[C@@H]2CC(C)C)nn1C 643584090 LUURGWWKRPBPKG-IBGZPJMESA-N 426.561 3.530 0 40 IHAB O=C(c1cccc2cccnc12)N1CCOC[C@]2(C1)CN(c1cccc(Cl)c1)C(=O)O2 1848355720 JPPNFZKDUBAJED-QHCPKHFHSA-N 437.883 3.756 0 40 IHAB Cc1ccc(C(=O)Nc2ccc3nc(SCC(=O)N4CCOCC4)sc3c2)cc1 713099 VRQLZTUUSHOJOR-UHFFFAOYSA-N 427.551 3.808 0 40 IHAB O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)Nc1ccc2c(c1)OCO2 886459 MDECGYUJWIYJGR-UHFFFAOYSA-N 444.896 3.903 0 40 IHAB CCOC(=O)c1ccc(-c2c(C(=O)OCC)oc3cc(OC(C)=O)c(CC)cc3c2=O)o1 939019 ZCGJJIRLEJHZHC-UHFFFAOYSA-N 442.420 3.894 0 40 IHAB C[C@](O)(CS(=O)(=O)Cc1ccccc1Cl)C(=O)Nc1cccc(C(F)(F)F)c1 1388641 VQWPRXZMQLMWTL-KRWDZBQOSA-N 435.851 3.663 0 40 IHAB COc1ccc(N(CC(=O)Nc2ccccc2C)S(=O)(=O)c2ccccc2)c(OC)c1 1445255 ISYCNOSGSXTLSM-UHFFFAOYSA-N 440.521 3.846 0 40 IHAB Cc1c(NC(=O)[C@H](C)Oc2ccccc2Br)c(=O)n(-c2ccccc2)n1C 1446176 KVARLRRATHWSJA-AWEZNQCLSA-N 430.302 3.653 0 40 IHAB CCc1cc(=O)oc2c(C)c(OCC(=O)N[C@H](Cc3ccc(Cl)cc3)C(=O)O)ccc12 2115930 KHEYFSVLVOIKRL-GOSISDBHSA-N 443.883 3.508 0 40 IHAB biogenic CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(F)cc3)c(=O)n2[C@H]1/C=C/c1ccccc1 2288656 CRQFEECLVFPIJZ-AWXDTPSPSA-N 448.519 3.603 0 40 IHAB O=C(O)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 2598918 DDFWEZMWBJEUAX-BJKOFHAPSA-N 431.488 3.972 0 40 IHAB COc1cc(NC(=O)CN(CCC(C)C)S(=O)(=O)c2ccccc2F)cc(OC)c1 2645038 HFGPQRBTUWEJHH-UHFFFAOYSA-N 438.521 3.518 0 40 IHAB C[C@@H](OC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1)C(=O)c1ccccc1 3353272 DQFVGMLTMGFQII-GOSISDBHSA-N 449.528 3.862 0 40 IHAB CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)N=c2[nH]c3ccccc3[nH]2)c1 6101356 NIDHRUWVWOOWCL-UHFFFAOYSA-N 440.912 3.716 0 40 IHAB aggregator COCCCn1c(C)cc(C(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1C 6110524 AIYZJHOJIXRNTG-AWEZNQCLSA-N 427.570 3.921 0 40 IHAB Cc1ccc(OCCNC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1 8718612 UISVGMXVFIMPRT-UHFFFAOYSA-N 445.357 3.805 0 40 IHAB Cc1ccccc1N1C[C@H](C(=O)Nc2nnc(SCc3cccnc3)s2)CC1=O 8824626 CXHXIQIISLMHCC-OAHLLOKOSA-N 425.539 3.525 0 40 IHAB COC(=O)[C@H](C)NC(=O)c1cc2c([nH]c3ccccc32)c(-c2cc(OC)ccc2OC)n1 8876856 RMEVSIMKTGSKMF-ZDUSSCGKSA-N 433.464 3.692 0 40 IHAB biogenic CCN(c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3Cl)C2=O)cc1)C(C)C 8885180 CVZIUZSESQPFTM-QHCPKHFHSA-N 442.947 3.980 0 40 IHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1 9063358 HULAVXBZUXQOBX-UHFFFAOYSA-N 446.931 3.995 0 40 IHAB CCCc1nnc2n1N[C@@H](c1ccc(OC)cc1)[C@H](C(=O)Nc1ccc(OC)cc1)S2 9239116 JSZCYAHILMRIFC-VQTJNVASSA-N 439.541 3.646 0 40 IHAB CCn1c(CC(=O)Nc2ccccc2Cl)nnc1SCC(=O)NC1CCCCC1 9263772 QITDGDRLVLEZQJ-UHFFFAOYSA-N 435.981 3.674 0 40 IHAB Cc1ccc(CN(C)C(=O)CN2C(=O)N[C@](c3ccccc3)(c3ccc(C)c(C)c3)C2=O)o1 9501738 LVYBYNFVCQTDQD-AREMUKBSSA-N 445.519 3.659 0 40 IHAB CC(=O)NCc1ccc(-c2csc(NC(=O)c3nn(-c4ccccc4)nc3C)n2)s1 9596274 ZTTHYNKZRZDSEP-UHFFFAOYSA-N 438.538 3.649 0 40 IHAB Cc1cc(C(=O)CCC(=O)OCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)c(C)s1 9690811 CHAXSBMJPHCEKU-UHFFFAOYSA-N 446.569 3.666 0 40 IHAB O=C(NC[C@@H](c1ccco1)N1CCc2ccccc21)C(=O)Nc1ccc(F)c(Cl)c1 9708716 ZGROMMOJBJJHNN-IBGZPJMESA-N 427.863 3.931 0 40 IHAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 9884966 KHCGRDKVGYNVGO-CQSZACIVSA-N 449.623 3.904 0 40 IHAB COc1ccc(NC(=O)C2(N(C(=O)CNC(C)=O)c3ccc(C)cc3)CCCCC2)cc1 10013963 KXPFTSVCKBEMAI-UHFFFAOYSA-N 437.540 3.814 0 40 IHAB O=S(=O)(c1ccc(SCc2cc(Cl)cc3c2OCOC3)nc1)N1CCCC1 10037704 IMCXWZDGJBZXKV-UHFFFAOYSA-N 426.947 3.678 0 40 IHAB CCn1c(CC(=O)Nc2cccc(C)c2)nnc1SCC(=O)Nc1cc(F)ccc1F 10176407 CUTSEPGVYVQQKV-UHFFFAOYSA-N 445.495 3.797 0 40 IHAB COc1ccc(NC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)cc1OC 10327571 OSNNOONBDOWLNS-UHFFFAOYSA-N 438.505 3.708 0 40 IHAB Cc1ccc(-n2nnc3c(N4CCN(C(=O)c5ccc6ccccc6c5)CC4)ncnc32)cc1 11665812 GKQPEKVLRYHDEK-UHFFFAOYSA-N 449.518 3.635 0 40 IHAB CCOC(=O)[C@]1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCCN(C(=O)c2ccco2)C1 12156746 QQIVZZFJNHHPPN-MBSDFSHPSA-N 428.460 3.788 0 40 IHAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 12200139 ZWHWJOAMDMDEQB-UHFFFAOYSA-N 432.807 3.813 0 40 IHAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1[C@@H]1Nc2ccccc2C(=O)N1C1CCCC1 12533712 PFRRUZKJEIPUOL-MGPUTAFESA-N 448.976 3.714 0 40 IHAB C[C@H]1CCN(C(=O)CNc2ccc(S(=O)(=O)N3CCCC3)cc2)c2ccccc2S1 12780932 ULLLMPBXEDXRRG-KRWDZBQOSA-N 445.610 3.801 0 40 IHAB CCCCOCCCNC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12 12880840 PSYTVKXXXFABSL-LADGPHEKSA-N 431.536 3.961 0 40 IHAB biogenic COc1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1S(=O)(=O)N1CCCCC1 13149549 MVZRBIWFRAODDQ-UHFFFAOYSA-N 440.924 3.844 0 40 IHAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)N[C@H](C)c3ccccc3)Oc3ccccc32)cc1 13845182 DUBOTSJVRWTKIM-JPYJTQIMSA-N 436.533 3.829 0 40 IHAB Cc1c(C(=O)N2CCN(C(=O)N3CCCCC3)CC2)oc2ccc(Br)cc12 14900296 ALMXYSUEIXVKSA-UHFFFAOYSA-N 434.334 3.867 0 40 IHAB Cc1ccc(NC(=O)c2cncc(Br)c2)cc1S(=O)(=O)N1CCCCC1 15704852 IDIQABPGBYEYIF-UHFFFAOYSA-N 438.347 3.579 0 40 IHAB CCCCN1C(C)=NS(=O)(=O)c2cc(C(=O)Nc3ccc(OC)cc3OC)ccc21 15867641 ABCHTCIUQRMVRF-UHFFFAOYSA-N 431.514 3.683 0 40 IHAB O=C(NC1CCCCC1)[C@@H](c1ccncc1)N(C(=O)c1csnn1)c1ccc(F)cc1 15936021 CRJCCKBBVQSYJE-HXUWFJFHSA-N 439.516 3.909 0 40 IHAB COc1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1OC 16227507 RLXRKDKMXXIUNO-UHFFFAOYSA-N 442.493 3.522 0 40 IHAB Cc1ccc(CN(C(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)[C@H]2CCS(=O)(=O)C2)o1 16742579 QMAVWIRJHCDIAZ-MJGOQNOKSA-N 433.570 3.869 0 40 IHAB C[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1 16753982 HSJHUQLQDFRWNN-HNNXBMFYSA-N 426.494 3.608 0 40 IHAB CC(=O)Nc1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(Cl)ccc2O3)cc1 19022378 GNLMBSOASQKPCZ-SFTDATJTSA-N 430.932 3.683 0 40 IHAB O=C(C[C@H]1C=CCC1)N1CCCC[C@@H]1c1nc(=O)c2c([nH]1)CN(Cc1cccs1)CC2 19343678 KRDIPOAUYWQLDT-LAUBAEHRSA-N 438.597 3.800 0 40 IHAB O=C(CCc1ccc2c(c1)OCO2)N1CCC(c2nc(-c3ccsc3)cc(=O)[nH]2)CC1 19345733 PADOXAQWKNSBDL-UHFFFAOYSA-N 437.521 3.566 0 40 IHAB CCc1ncc(CN2CCN(C)C(=O)[C@H](Cc3cccc(-c4ccc(F)cc4)c3)C2)cn1 19523432 FBGXSUBUZYAGIB-HSZRJFAPSA-N 432.543 3.978 0 40 IHAB CCOc1ccc(CN2CCC(c3cc(C(F)(F)F)n4ncnc4n3)CC2)cc1OC 19533752 LOXDLCYBXJYXLY-UHFFFAOYSA-N 435.450 3.930 0 40 IHAB COc1cccc([C@@H]2CN(C(=O)C3(c4ccccc4F)CC3)C[C@]23CCCCC(=O)N3)c1 19566078 NCTVJQWDWMIRQK-HFZDXXHNSA-N 436.527 3.921 0 40 IHAB Cc1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc(S(N)(=O)=O)c1C 19600330 GNONXUHMLIXYMP-OAHLLOKOSA-N 429.567 3.580 0 40 IHAB CN(C)C(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCN(C(=O)c2cnccn2)CC1 19700458 LZMKCKQKQUWGNL-UHFFFAOYSA-N 428.536 3.697 0 40 IHAB Cc1nc([C@@H]2CCCCN2C(=O)Cn2nc(C)c(C)c2C)ncc1C(=O)Nc1ccccc1 19755375 UMDMWYCPGDOCSA-QFIPXVFZSA-N 446.555 3.913 0 40 IHAB COc1ccc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 19931336 LKXRIALSOSQGOX-OAHLLOKOSA-N 436.961 3.627 0 40 IHAB O=C(COc1ccc(S(=O)(=O)N2CCCCCC2)cc1)N[C@@H]1CCCc2ccccc21 20021289 NRZNGSSIOUYEIZ-HSZRJFAPSA-N 442.581 3.824 0 40 IHAB O=C(CN1CCN(Cc2cccc3ccccc23)CC1)Nc1ccc(N2CCCC2=O)cc1 22797117 RYBGMCJIBPJSQS-UHFFFAOYSA-N 442.563 3.723 0 40 IHAB C[C@H](c1nnc(-c2ccccc2)o1)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 22915205 DDHKXEVJQZNJFO-MRXNPFEDSA-N 425.920 3.707 0 40 IHAB O=C(CN1CCN(CC(=O)Nc2ccccc2Oc2ccccc2)CC1)Nc1ccccc1 23663512 LCQJDYUXCQYPNB-UHFFFAOYSA-N 444.535 3.674 0 40 IHAB O=C(c1ccc(C2CCCCC2)cc1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 23675012 CVIMPWVXLNAVNS-UHFFFAOYSA-N 436.581 3.762 0 40 IHAB CCOC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)c1 23913283 OJWSJGLPONSTJD-UHFFFAOYSA-N 430.526 3.680 0 40 IHAB COc1ccc(Br)c(C(=O)N2CCN(Cc3cc(F)ccc3OC)CC2)c1 24386466 XDCXRAOZKUWVLT-UHFFFAOYSA-N 437.309 3.563 0 40 IHAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)Cc1ccccc1N1CCCCC1 24391607 CDDXSAFQBLIIHU-DEOSSOPVSA-N 432.568 3.864 0 40 IHAB COc1ccc(S(=O)(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C2CC2)cc1OC 24707962 RMOQYGBDAVMZNE-UHFFFAOYSA-N 449.916 3.761 0 40 IHAB COc1ccc(CCC(=O)N2CCN(CCCc3nc(-c4ccc(C)cc4)no3)CC2)cc1 24823463 YXMKGVNICJSRIE-UHFFFAOYSA-N 448.567 3.763 0 40 IHAB CC(C)Cn1c(SCC(=O)c2ccc(Br)s2)nnc1N1CCOCC1 26662820 GQJDJIFSISMTAF-UHFFFAOYSA-N 445.408 3.570 0 40 IHAB O=C(Nc1ccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)cc1)[C@H]1CCCO1 30531486 BLYNGSVAIVUJFL-OAHLLOKOSA-N 430.404 3.504 0 40 IHAB COc1ccc([C@H](CC(C)C)NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 30858304 KYBCRIYGIPKELZ-NRFANRHFSA-N 432.586 3.982 0 40 IHAB CC(C)C(=O)N1CCN(c2ccc(NC(=S)NC(=O)/C=C/c3ccccc3)cc2)CC1 32125367 DUKLUHQEYXFZRM-MDWZMJQESA-N 436.581 3.518 0 40 IHAB C[C@@H]1CCCN(C(=O)C2CCN(Cn3nc(-c4cccnc4)n(C4CC4)c3=S)CC2)C1 32926860 GKKFRBIDUJIAFE-QGZVFWFLSA-N 440.617 3.739 0 40 IHAB Cc1ccc(NC(=O)[C@@H](C)Oc2ccccc2)cc1OCc1cc(=O)n2ccccc2n1 33268552 PWPNVGDFIFARDQ-GOSISDBHSA-N 429.476 3.988 0 40 IHAB CN[C@H]1CCN(C(=O)c2ccc(Nc3ncc(F)c(-c4cnc(C)n4C(C)C)n3)cc2)C1 35262051 NTSDIJMNXYJJNG-SFHVURJKSA-N 437.523 3.546 0 40 IHAB CC[C@H](C)NC(=O)c1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 40121964 VEZHSGJCLYUKGU-YJBOKZPZSA-N 427.932 3.538 0 40 IHAB CN(C)CC(C)(C)CNC(=O)C1CCN(c2ncnc3sc4c(c23)CCCCC4)CC1 40158222 LCPDNKCSMYTCKR-UHFFFAOYSA-N 443.661 3.881 0 40 IHAB CC(C)C[C@@H](NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1)c1ccccc1 44937020 VKJZJOAMSHFCHP-YLJYHZDGSA-N 436.961 3.771 0 40 IHAB COc1ccccc1[C@@H](CNS(=O)(=O)Cc1cccc(C(F)(F)F)c1)N1CCCC1 58246426 AXUPFOSQKNVZIS-LJQANCHMSA-N 442.503 3.971 0 40 IHAB COc1cccc(-c2nc3c4ccccc4n(CC(=O)Nc4ccccc4C)c(=O)n3n2)c1 62639811 JNAKRACZKCQXHS-UHFFFAOYSA-N 439.475 3.667 0 40 IHAB CCC[C@H](C)NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)c2cc(Cl)ccc2O1 64986197 KEQTXUYEFOUTME-YWZLYKJASA-N 436.961 3.910 0 40 IHAB Cc1c(C(=O)N2CCCCC2)nnn1-c1cccc2c1CCN(Cc1cccc(F)c1)C2 69899379 MCTBUCXNEKUQEI-UHFFFAOYSA-N 433.531 3.899 0 40 IHAB CC(C)Cn1c(SCc2cccc(C(=O)N3CCCCC3)c2)nnc1N1CCOCC1 69930183 PUHGRVKDLPXFRF-UHFFFAOYSA-N 443.617 3.689 0 40 IHAB CCCN1CCN([C@H](C)CCCN(C(=O)[C@@H]2CCCN(c3nccs3)C2)C2CC2)CC1 72305492 NOJYUJDIGHHQLA-NHCUHLMSSA-N 447.693 3.547 0 40 IHAB Cc1cc(C(C)(C)C)oc1C(=O)N1CCC2(CC1)C[C@]1(CO2)NC(=O)c2ccccc2N1 72325320 XSPVIBCAOOJDQZ-RUZDIDTESA-N 437.540 3.832 0 40 IHAB O=C(c1ccccc1)N1CCCC[C@H]1c1nc(O)c2c(n1)CCN(Cc1cccnc1)C2 72330611 CVQUYAPUTIDRDN-QFIPXVFZSA-N 429.524 3.503 0 40 IHAB COc1ccccc1C[C@H](C)Nc1cc(Cn2c(C)nc3ccccc3c2=O)nc(C)n1 72373228 SWSNWLMIOUIMBE-INIZCTEOSA-N 429.524 3.903 0 40 IHAB COc1ccc(C[C@@H](CO)CNC(=O)CCc2cccc(OC3CCCC3)c2)cc1O 83957466 RZZUXIDVZIINNA-HXUWFJFHSA-N 427.541 3.622 0 40 IHAB Cc1ccc(C)c(SCC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c1 89626314 PZCSLRKTKALARH-UHFFFAOYSA-N 432.611 3.545 0 40 IHAB CC(=O)Nc1cccc2c1CCN(c1nc3ccccc3nc1N1C[C@H](C)O[C@H](C)C1)C2 89936781 FEWQGEUZGBVJLL-CALCHBBNSA-N 431.540 3.765 0 40 IHAB O=C(Nc1ccccc1)c1ccc(NC(=O)N2CCC(N3CCn4ccnc4C3)CC2)cc1 95450305 KMXDFHGNTSBZLK-UHFFFAOYSA-N 444.539 3.648 0 40 IHAB Cc1cc(C(=O)N2CC[C@]3(C2)c2ccccc2S(=O)(=O)N3CC2CC2)ccc1Cl 96143043 WISGEHYYWBHCOX-QFIPXVFZSA-N 430.957 3.804 0 40 IHAB CCN1CC[C@]2(CN(CC(C)C)CC23CCN(C(=O)Nc2ccc(F)cc2)CC3)C1=O 96144341 JAHQATZSWRUGLH-DEOSSOPVSA-N 430.568 3.650 0 40 IHAB CCCc1nn(-c2nc3ccccc3o2)c(O)c1[C@@H]1CC(=O)N(CCc2ccccc2)C1=O 101983888 WYCPQTVYHBBOBD-KRWDZBQOSA-N 444.491 3.757 0 40 IHAB O=C1[C@@H]2Sc3[nH]c(=O)sc3[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 107673844 WJWCKMBMZIMZKF-OFQRWUPVSA-N 428.922 3.886 0 40 IHAB CC1CCN(S(=O)(=O)c2cccc(C(=O)NCc3cccc(OC(C)C)c3)c2)CC1 113957499 ZFOREVUGDZHINX-UHFFFAOYSA-N 430.570 3.824 0 40 IHAB C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@@]21C 122188178 WVULKSPCQVQLCU-KAXVJLSSSA-N 449.632 3.594 0 40 IHAB in-vitro CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1Cl 222514494 YVQGVXYGOPYIEF-CYBMUJFWSA-N 437.949 3.516 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCCSc1ccc(Cl)cc1)c1ccccc1F 222652061 VSZFTASNCSDIBC-UHFFFAOYSA-N 444.981 3.934 0 40 IHAB COc1cc(NC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)c(OC)cc1Cl 222657158 YGLIVWQKFSFZSL-UHFFFAOYSA-N 444.912 3.681 0 40 IHAB COc1ccc(C(=O)N(C)c2ccc(F)cc2)cc1S(=O)(=O)NCCc1ccccc1 222930566 NRQBFIVORPNBTI-UHFFFAOYSA-N 442.512 3.632 0 40 IHAB CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccccc1C 223033683 OXAGRKRAZKJFSL-MRXNPFEDSA-N 433.346 3.690 0 40 IHAB O=C(NCCOc1ccccc1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 223953985 FUIYACBKVANISJ-UHFFFAOYSA-N 430.913 3.950 0 40 IHAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-n3cnnc3)c2C)cc1 224195656 DBDONLINHFSYAI-FGZHOGPDSA-N 429.553 3.888 0 40 IHAB CCOC(=O)N1CCN(C(=O)c2ccc(OCC)c(COc3cccc(C)c3)c2)CC1 224388226 DXHQIVKFSIONFB-UHFFFAOYSA-N 426.513 3.887 0 40 IHAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(S(N)(=O)=O)cc3)o2)cc1 224911342 MKHQFNSEBOPSIW-UHFFFAOYSA-N 449.488 3.917 0 40 IHAB COC(=O)CN(c1ccccc1Br)S(=O)(=O)c1ccc(SC)cc1 224979489 VCWILFQOHYSGQX-UHFFFAOYSA-N 430.345 3.539 0 40 IHAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1cc(OC)cc(OC)c1 225124843 GSICMYOKCSYIFP-HSZRJFAPSA-N 442.556 3.725 0 40 IHAB CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1cc(C)cc(C)c1C 225489948 AJDWTYCIWSUREO-KRWDZBQOSA-N 447.373 3.916 0 40 IHAB CC1CCN(C(=O)CCc2nc(-c3ccc(I)cc3)no2)CC1 225839468 ZCKLDKVEWXQKGS-UHFFFAOYSA-N 425.270 3.532 0 40 IHAB Cc1ccc2nc(C(=O)N3CCC[C@H](CC(=O)Nc4ccc5nc(C)[nH]c5c4)C3)cn2c1 257243799 IIOXMPOQNRVXDH-QGZVFWFLSA-N 430.512 3.708 0 40 IHAB CC(C)Oc1cc(CCC(=O)N2CCNC(=O)[C@@H]2Cc2cccc(-c3ccccc3)c2)on1 257252336 JUKGNZFIAPEGQU-QHCPKHFHSA-N 447.535 3.631 0 40 IHAB Cc1nc(N)cc(C2(C)CCN(C(=O)C3(c4ccc(Cl)cc4)CCOCC3)CC2)n1 257316167 VEKPPBLYICVDHL-UHFFFAOYSA-N 428.964 3.649 0 40 IHAB CC(C)(C)C1CCN(C(=O)c2c(O)ccc3c2O[C@@H]2C[C@H]4C[C@H](C4(C)C)[C@]2(O)[C@H]3O)CC1 257324950 WQWNTTREMVKGRB-RNOFBJJSSA-N 443.584 3.882 0 40 IHAB C[C@H]1CCC[C@H](C)N1C(=O)c1c[nH]nc1C1CCN(C(=O)Cc2ccccc2F)CC1 257342316 ZOCNHAZCSIXMMV-IRXDYDNUSA-N 426.536 3.901 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)cc1 408583272 GTUDEKUUIKBNRA-AWEZNQCLSA-N 438.933 3.602 0 40 IHAB CC(=O)Nc1cccc(NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)c1 408605469 IYFFDVBWSIYSGQ-UHFFFAOYSA-N 437.521 3.787 0 40 IHAB CC(C)CNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1Cl 408635538 DGKNUEVQUDKXBI-UHFFFAOYSA-N 431.341 3.945 0 40 IHAB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccccc1 408657118 UBTHTOKAQXZJQD-LVNJIZSUSA-N 436.895 3.611 0 40 IHAB CN1CCN(C(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccc(Cl)cc3)cc2)CC1 408704921 VROUFSSJUFTECN-QFIPXVFZSA-N 429.973 3.502 0 40 IHAB O=C1CCN[C@@H](c2cc(Br)c(OCc3ccccc3)c(Br)c2)N1 408737060 LLGMRQXCEHKUGU-QGZVFWFLSA-N 440.135 3.899 0 40 IHAB Cc1ccc(C)c(NC(=O)CSc2nnc([C@@H](C)NC(=O)c3ccccc3C)n2C)c1 409338850 PLDCOQQJGMPJON-QGZVFWFLSA-N 437.569 3.962 0 40 IHAB CC(C)S(=O)(=O)c1ccc(CC(=O)N[C@@]2(Cc3ccc(Cl)cc3)CCOC2)cc1 500338247 TYQRVRGFQLWSMW-JOCHJYFZSA-N 435.973 3.583 0 40 IHAB Cc1cccc(CN2CCCC[C@@H]2C(=O)NCc2ccc(C(=O)N=c3cc[nH]cc3)cc2)c1 1251975932 FFUJPHCNZUEEIH-RUZDIDTESA-N 442.563 3.735 0 40 IHAB CCOc1ccc(NC(=O)C2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc1 783848 JEQSXKVISBAYOV-UHFFFAOYSA-N 442.512 3.602 0 40 IHAB CCOC(=O)C1=CN(Cc2ccc(OC)cc2)C=C(C(=O)OCC)C1c1ccc(O)cc1 1460061 BJVJOROJNIGMSE-UHFFFAOYSA-N 437.492 3.894 0 40 IHAB CC1(C)c2ccccc2N2CC(=O)N(CC(=O)Nc3ccc(Br)cc3)[C@]21C 2440911 PWXGFGMQBAEHLJ-NRFANRHFSA-N 428.330 3.744 0 40 IHAB Cc1ccc(-n2c(SCC(=O)NCc3ccc(F)cc3)nc3c(c2=O)SCC3)cc1 2719771 RINMFCIJENHFNU-UHFFFAOYSA-N 441.553 3.737 0 40 IHAB CCOC(=O)CN1C(=O)S/C(=C\c2ccccc2OCc2ccc(C(=O)O)cc2)C1=O 2988081 AORGFGOBXWQWRF-WQRHYEAKSA-N 441.461 3.563 0 40 IHAB CC[C@H](C)n1c(SCC(C)C)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 3252324 RTIZTDUKXSWVME-INIZCTEOSA-N 438.619 3.685 0 40 IHAB CC(C)[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1)C(=O)NC(N)=O 3386456 AKTMZDVWBRIIMP-KRWDZBQOSA-N 443.960 3.958 0 40 IHAB CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C)CC3)cc2)cc1Cl 5949366 LFIRKZZFXWCHMT-UHFFFAOYSA-N 432.977 3.617 0 40 IHAB O=C(C[C@H]1C(=O)N(c2ccccc2)C(=O)N1Cc1ccc2c(c1)OCO2)Nc1ccccc1 8599831 KGQLDMVFEHYSJF-FQEVSTJZSA-N 443.459 3.782 0 40 IHAB CCC(=O)c1ccc(OCC(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)cc1 8763080 JDGFGCSEVUGPOD-UHFFFAOYSA-N 436.464 3.515 0 40 IHAB Cn1c(COc2ccccc2Cl)nnc1SCC(=O)c1ccc2c(c1)OCCO2 8860966 AHFOECVXCSNALJ-UHFFFAOYSA-N 431.901 3.794 0 40 IHAB CCOc1ccc(NC(=O)C[C@@H](CC2=NCCc3cc(OC)c(OC)cc32)C(=O)O)cc1 8876203 BUUDZFQRYMVMEN-MRXNPFEDSA-N 440.496 3.567 0 40 IHAB biogenic COC(=O)[C@@H](C)NC(=O)c1cc2c([nH]c3ccccc32)c(-c2cc(OC)ccc2OC)n1 8876921 RMEVSIMKTGSKMF-CYBMUJFWSA-N 433.464 3.692 0 40 IHAB biogenic COC(=O)c1c(NC(=O)CSc2nnc3nc(C)cc(C)n23)sc2c1CCCCC2 9127985 GLZIVRDLMKTNSS-UHFFFAOYSA-N 445.570 3.589 0 40 IHAB O=C(CCN1C(=O)c2ccccc2C1=O)N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1 9219559 WJNZXXUEBLVNKI-JOCHJYFZSA-N 438.487 3.649 0 40 IHAB CCOC(=O)c1c(NC(=O)c2ccc(OC(C)C)cc2)sc2c1CCN(C(C)=O)C2 9383241 OSTJCXGWOULVLE-UHFFFAOYSA-N 430.526 3.869 0 40 IHAB COc1ccc(CCNC(=O)CSc2nc(-c3ccccc3C)ns2)cc1OC 9404026 WRAYVGYTRBHRTP-UHFFFAOYSA-N 429.567 3.982 0 40 IHAB Cc1ccc(N2CCCn3c2nc2c3c(=O)n(C/C=C/c3ccccc3)c(=O)n2C)cc1C 9518950 XZHCEMIPOUONGP-YRNVUSSQSA-N 441.535 3.769 0 40 IHAB O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1Cc1cc2c(cc1Br)OCCO2 9535857 SCIPZTSVAMXBQA-OAQYLSRUSA-N 443.297 3.504 0 40 IHAB CCn1c(SCC(=O)N[C@@H]2CCCC[C@H]2C)nnc1[C@@H](C)NC(=O)c1cccc(C)c1 9601265 YOFUAKMQUDFWNX-ZHALLVOQSA-N 443.617 3.884 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(c3nnc(-c4ccccc4C)o3)CC2)cc1OC 9640124 HRYYKTDSWWMERS-UHFFFAOYSA-N 443.525 3.631 0 40 IHAB Cc1occc1-c1nnc(SCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)o1 9647659 DPFUXBHGVOUCOY-MRXNPFEDSA-N 427.482 3.865 0 40 IHAB CCc1nnc(NC(=O)c2ccccc2NC(=O)[C@H]2CC(=O)N(c3ccccc3C)C2)s1 9698732 HEMJCDLWXRMNAM-HNNXBMFYSA-N 449.536 3.653 0 40 IHAB CN(CC(=O)Nc1ncc(Cc2ccccc2)s1)S(=O)(=O)c1ccc(Cl)s1 9712381 XZIOUMGYSNZYGY-UHFFFAOYSA-N 441.987 3.708 0 40 IHAB COc1cccc(-n2c(S[C@@H]3CCCCNC3=O)nc3sc4c(c3c2=O)CCC4)c1 10091458 CIMLHZSIDVPLFO-QGZVFWFLSA-N 441.578 3.705 0 40 IHAB COc1cccc([C@@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 11826104 MNMQZOIITDWKQX-QFIPXVFZSA-N 446.544 3.599 0 40 IHAB Cc1ccc2c(c1)C(=O)C[C@@H](C1CCN(C(=O)c3cc(-c4c(C)nn(C)c4C)n[nH]3)CC1)O2 12087398 DPJSJUYSNHICOI-QHCPKHFHSA-N 447.539 3.622 0 40 IHAB Cc1cccc(N2CCN(C(=O)c3ccc(CS(=O)(=O)c4ccccc4)o3)CC2)c1C 12295247 IIFDKXPZYZKJHH-UHFFFAOYSA-N 438.549 3.833 0 40 IHAB NS(=O)(=O)c1ccc(CCN[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1 13126473 GLJNFDHGTNKTJR-QHCPKHFHSA-N 433.533 3.572 0 40 IHAB COc1ccc(CNC(=O)c2ccccc2CSc2nc3nc(C)cc(C)n3n2)cc1 13165011 XODQREGZQCWOKD-UHFFFAOYSA-N 433.537 3.972 0 40 IHAB COc1ccc(C(=O)CSc2nnc3c(n2)[C@]2(C)CC[C@H]3C2(C)C)cc1NC(C)=O 13566611 YJOUEYACQOOZQH-PEBXRYMYSA-N 426.542 3.989 0 40 IHAB COc1cc([C@H]2CC(=O)Nc3c2c(=O)nc(SCc2cccc(C)c2)n3C)ccc1O 13567486 MNLRGLWAIAPIRJ-MRXNPFEDSA-N 437.521 3.569 0 40 IHAB O=C(CSc1n[nH]c(=O)n1C1CC1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 13637491 FVBQGUKBBOKVOR-INIZCTEOSA-N 443.916 3.623 0 40 IHAB COc1ccccc1-c1nc(S(=O)(=O)c2ccc3c(c2)OCCO3)c(NC(C)C)o1 13692388 ZJQKTNRKPRSCQW-UHFFFAOYSA-N 430.482 3.775 0 40 IHAB CC1CCC2(CC1)NC(=O)N(Cc1nnc(-c3ccc(Br)s3)o1)C2=O 14142235 KMZTVSMVBNAWHE-UHFFFAOYSA-N 425.308 3.561 0 40 IHAB Cc1cc(C)cc(NC(=O)[C@@H](c2ccccc2)N2CCN(C(=O)c3ccncc3)CC2)c1 14201400 ARNBTPHFYAHXEG-XMMPIXPASA-N 428.536 3.836 0 40 IHAB COc1ccc(CN(C)C(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 14233477 VOMKEGZJXQQJRC-UHFFFAOYSA-N 438.549 3.858 0 40 IHAB CCc1nnc2sc(-c3ccc(CNC(=S)NC(=O)/C=C/c4ccccc4)cc3)nn12 14269306 DDVWQPDMETWEBD-JLHYYAGUSA-N 448.577 3.619 0 40 IHAB O=C(CNS(=O)(=O)c1ccc(NC(=S)Nc2ccccc2)cc1)c1ccccc1 18197863 GIJYZFCQTBDMSU-UHFFFAOYSA-N 425.535 3.657 0 40 IHAB CSCC[C@H](NC(=O)c1c(C)n(C)c2ccccc12)c1cc(=O)[nH]c(-c2ccccn2)n1 19581764 HZZHINLKDBDQAZ-KRWDZBQOSA-N 447.564 3.856 0 40 IHAB CNC(=O)[C@@]1(Cc2ccc(-c3ccc(OC)cc3)cc2)CCCN(C(=O)c2ccncc2)C1 19591240 RQEZXMXFISYMIZ-HHHXNRCGSA-N 443.547 3.968 0 40 IHAB Cc1ncc(C(=O)N2CCC([C@@H]3CCCCN(CCc4ccccc4)C3=O)CC2)c(C)n1 19744030 YAKIWEMOMUGZTM-QHCPKHFHSA-N 434.584 3.817 0 40 IHAB Cc1ccc(C)c([C@H]2CCCN2C(=O)Cn2cc(C(=O)NCc3ccccc3)ccc2=O)c1 19751715 HOQQAPLPVAPWOB-XMMPIXPASA-N 443.547 3.759 0 40 IHAB Cc1cc(C)nc(N2CCO[C@@H](c3cc(C(=O)Nc4nccs4)c4ccccc4n3)C2)n1 19759374 QMBQAPLMLNGSLZ-HXUWFJFHSA-N 446.536 3.928 0 40 IHAB COc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3N2C(=O)c2ccc(C)cc2)cc1 19898584 YDCZBSAOVTWGKR-JOCHJYFZSA-N 429.476 4.000 0 40 IHAB CC(C)COc1ccc(C(=O)NC(=S)Nc2ccc(CN3CCOCC3)cc2)cc1 19938182 GHLJVEKNNIWOIL-UHFFFAOYSA-N 427.570 3.680 0 40 IHAB COc1ccc(C)cc1N(CC(=O)N(C)C1CCCCC1)S(=O)(=O)c1ccccc1 20493507 QCBDCXNAYYANRG-UHFFFAOYSA-N 430.570 3.990 0 40 IHAB COc1ccc(Br)cc1C(=O)Nc1cccc(-c2nn3cnnc3s2)c1 20528873 GRSAXBQHOKKBRE-UHFFFAOYSA-N 430.287 3.876 0 40 IHAB O=C(COc1ccccc1Cl)Nc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)cc1 20529025 VOABWQGYFZJOHC-UHFFFAOYSA-N 441.837 3.568 0 40 IHAB CC[C@@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(Cl)c1Cl)C(=O)OC 20716990 ZRFGYEOLMPCITA-DPZKZMLUSA-N 439.343 3.961 0 40 IHAB CCc1nn2c(nnc3c(=O)n(-c4cccc(OC)c4)ccc32)c1-c1ccc(OC)cc1 20721401 NEPHJESCRISSSM-UHFFFAOYSA-N 427.464 3.675 0 40 IHAB COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(Cl)c1 20726215 PCJJBHSNLVWRKG-FPOVZHCZSA-N 438.915 3.505 0 40 IHAB CCCNC(=O)c1ccccc1NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 21319239 RZDIBZYTDBLNPG-UHFFFAOYSA-N 426.494 3.646 0 40 IHAB Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCC(C)CC2)c(C)c1 22246473 NRHINFCTIPNFFE-JOCHJYFZSA-N 428.598 3.760 0 40 IHAB Cc1c(Cl)cccc1N(CC(=O)Nc1ccccc1Br)S(C)(=O)=O 22273599 KITPQACFONGJMG-UHFFFAOYSA-N 431.739 3.816 0 40 IHAB O=C(CCc1ccco1)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 23053461 CKWKPDMICRHWFS-UHFFFAOYSA-N 442.493 3.813 0 40 IHAB OCCN1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)CC1 24102740 KKAFGCNZPSWJJX-UHFFFAOYSA-N 433.943 3.855 0 40 IHAB Cc1oc2cc3oc(=O)c(CC(=O)N[C@H](Cc4ccccc4)C(=O)O)c(C)c3cc2c1C 26772137 VJQGTGBVHYGNCT-HXUWFJFHSA-N 433.460 3.819 0 40 IHAB biogenic COc1ccc(Nc2nnc(SCc3ccc(OC)c(OC)c3)n(C)c2=O)cc1Cl 28538586 CPEOJLGCWUJVMW-UHFFFAOYSA-N 448.932 3.890 0 40 IHAB CC(C)c1ccc(-c2nnn(CC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCCO4)n2)cc1 32573781 CCRXNWHXPQYDDA-OAQYLSRUSA-N 447.539 3.989 0 40 IHAB CC(C)c1c(C(=O)Nc2cccc(C(=O)NCC(F)(F)F)c2)cnn1-c1ccccn1 32815161 RVEDUCQJUQUDAP-UHFFFAOYSA-N 431.418 3.935 0 40 IHAB COc1ccccc1[C@@H](CNC(=O)CCc1nc(-c2ccsc2)no1)N1CCCC1 32841472 KGQJUYYAUKXUKL-GOSISDBHSA-N 426.542 3.693 0 40 IHAB Cc1c2c(C(F)(F)F)cc(=O)n(CCC(=O)Nc3ccc(F)c(Cl)c3)c2nn1C 36621526 GRROWRKGGVGZRH-UHFFFAOYSA-N 430.789 3.884 0 40 IHAB COc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 44904623 KKCWUGDIRRURPP-QGZVFWFLSA-N 432.542 3.666 0 40 IHAB O=C(Nc1cccc(COCc2ccco2)c1)c1ccc(S(=O)(=O)N2CCCC2)o1 48285582 GRPRDNCIDNIGOH-UHFFFAOYSA-N 430.482 3.626 0 40 IHAB CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)NCc2ccccc2OC(F)F)cc1 48333133 HRGJZHGZOHBVBI-UHFFFAOYSA-N 427.473 3.639 0 40 IHAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 58194352 REMZBZSSXSWNJP-YVEFUNNKSA-N 431.514 3.603 0 40 IHAB CCCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)Cc2csc(NC(=O)c3cccs3)n2)C1 58246508 BUXSEEQTUKJSOJ-GJZGRUSLSA-N 448.614 3.543 0 40 IHAB O=S1(=O)CC[C@@H](Cc2nc3ccccc3n2C[C@@H](O)c2ccccc2C(F)(F)F)C1 58402512 PJLMCMOPZZEENE-IFXJQAMLSA-N 438.471 3.766 0 40 IHAB Cc1ccc(-c2noc(-c3ccccc3OCC(=O)Nc3ccc(C(N)=O)cc3)n2)cc1 64579653 DYMSEGSQUBHRQR-UHFFFAOYSA-N 428.448 3.828 0 40 IHAB CCN(CCNC(=O)c1cccc(COc2ccccc2C(N)=O)c1)c1ccccc1C 70036501 KXFGQOCYZILJEV-UHFFFAOYSA-N 431.536 3.929 0 40 IHAB CC1CCN(C(=O)CN2CCC[C@H]2c2ccc3c(NCc4ccccc4)n[nH]c3n2)CC1 72374506 WCBNZFDTVHLYMK-QFIPXVFZSA-N 432.572 3.965 0 40 IHAB COCCOc1cccc(C(=O)N2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn34)C2)c1 83911858 ZAMYCEGXBYABGF-INIZCTEOSA-N 448.445 3.793 0 40 IHAB Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc2[nH]c(CCN3CCOCC3)nc2c1 97000464 BUZQZGCWYZFLMM-UHFFFAOYSA-N 445.523 3.582 0 40 IHAB CCCC[C@H](C(=O)O[C@H](C)C(=O)c1ccc(C)cc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 101079797 DODZLIYLUHLZKM-LSVOKTCQSA-N 449.547 3.721 0 40 IHAB CC(=O)Nc1ccc(NC(=O)c2ccc(N3C(=O)[C@H]4[C@@H](C)C=C(C)C[C@H]4C3=O)cc2)cc1 103222454 PADVOKDFVJTERK-ARBPTSGCSA-N 431.492 3.989 0 40 IHAB CC(=O)NCc1ccc(C(=O)N[C@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2)cc1 109057414 YLPWTGIUMKMOAR-NRFANRHFSA-N 443.503 3.650 0 40 IHAB CCOc1cc(Br)cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c1O 205706580 VFECLRZDOGURAF-AWNIVKPZSA-N 444.303 3.541 0 40 IHAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CSCc1ccc(Cl)cc1 216330272 POYNBSMGXJHTRT-UHFFFAOYSA-N 442.990 3.907 0 40 IHAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCCN(c1ccccc1)S(C)(=O)=O 219174724 PYCPCZYYOSEIND-HXUWFJFHSA-N 430.570 3.960 0 40 IHAB CSc1cccc(N(CC(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)S(C)(=O)=O)c1 220075249 YTXSRTMKTCDBDH-IBGZPJMESA-N 448.610 3.902 0 40 IHAB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)Nc2cccc(OC(C)C)c2)s1 222865273 NYBJUOIIYNKWTI-UHFFFAOYSA-N 432.527 3.687 0 40 IHAB CC(C)(C)c1ccccc1OCCNC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 223678451 JXCXJMVKSIIKGI-UHFFFAOYSA-N 438.977 3.599 0 40 IHAB COc1ccccc1OC[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 223971571 AHSBFFLSFZRMFZ-KRWDZBQOSA-N 440.521 3.693 0 40 IHAB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)[nH]c2C)cc1 225206472 LBEJEYDNZFEONL-FCHUYYIVSA-N 435.553 3.789 0 40 IHAB CCc1ccc(OCC(=O)N(Cc2ccc(Br)cc2)[C@@H](C)C(=O)NC)cc1 225489782 PGEVKOGELHTESQ-HNNXBMFYSA-N 433.346 3.554 0 40 IHAB Cc1nc2ccccn2c1CC(=O)N1CC[C@@](O)(CC(C)C)[C@@H](Oc2cccc(F)c2)C1 257226805 FMGJDGGFAUXAHK-WIOPSUGQSA-N 439.531 3.781 0 40 IHAB Cn1cc(C(=O)N2[C@H](c3cccc(C(F)(F)F)c3)C[C@]3(C)NC(=O)CCCC[C@H]23)cn1 257267643 MIFPNUILBNOOHK-WFXMLNOXSA-N 434.462 3.844 0 40 IHAB CC(=O)O[C@H]1C[C@@H]2[C@H]([C@H](OC(C)=O)C[C@]3(C)C[C@H](OC(C)=O)C[C@H]23)[C@@]2(C)CCC(=O)C[C@H]12 257349755 QWVDWZWSHZMUAY-OWWNSLACSA-N 448.556 3.613 0 40 IHAB CCCOc1ccc(N(CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)S(C)(=O)=O)cc1 260826509 CBHJZZIYWIWASO-GOSISDBHSA-N 444.597 3.998 0 40 IHAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 260924520 IFLMNFLJAIGOAS-OPAMFIHVSA-N 430.570 3.606 0 40 IHAB CCOCCCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1 408636460 QMXLSFJAXKMLNH-UHFFFAOYSA-N 444.475 3.971 0 40 IHAB CCOC(=O)c1ccc(NC(=O)c2ccc(N3C(=O)[C@@H]4CC=C(C)C[C@H]4C3=O)cc2)cc1 408682241 KNPDOJLNZNTMRZ-NHCUHLMSSA-N 432.476 3.961 0 40 IHAB O=C(Cc1csc(Cc2ccc(F)cc2)n1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 537479049 FZXYFRQMNSYJMU-FQEVSTJZSA-N 437.496 3.709 0 40 IHAB COc1ccc(Br)c(C(=O)NC[C@@](O)(c2ccccc2)C2CCOCC2)c1 575614024 ZIIXLOOFXAGXEQ-OAQYLSRUSA-N 434.330 3.502 0 40 IHAB CC1CCN([C@@H](CNC(=O)CCn2cc(Br)cn2)c2cccs2)CC1 614524337 LKKVINKQYJEMTH-INIZCTEOSA-N 425.396 3.687 0 40 IHAB CC(C)(O)[C@@H]1CC[C@](C)([C@H]2CC3(CCN(C(=O)CCc4ccccc4F)CC3)CO2)O1 643250987 PHGPAZKESAMRPR-YZUZCNPQSA-N 433.564 3.865 0 40 IHAB COc1ccc(CCNC(=O)N2CCCC3=C[C@@H]4C[C@H](CN5CCCC[C@H]45)[C@H]32)cc1OC 1083103373 JXOSLFKXMPFGSP-XAISMOLKSA-N 439.600 3.851 0 40 IHAB CC[C@@H](Cc1ccccc1Br)NC(=O)c1cnc(C2(C)OCCO2)s1 1566375140 FPMZZCQZIVANEL-ZDUSSCGKSA-N 425.348 3.876 0 40 IHAB COc1cc(CN2CCC(Cn3c(C)nc4cc(F)ccc4c3=O)CC2)cc(OC)c1 1889070555 OVMNNGGXHHQEEQ-UHFFFAOYSA-N 425.504 3.773 0 40 IHAB COc1ccccc1/C=C1/N=C(c2cc(I)ccc2Cl)NC1=O 1058930 QQOUCHMZUKMRLY-RIYZIHGNSA-N 438.652 3.871 0 40 IHAB COc1cc2c(cc1OC)[C@H]1Cc3c(cnc4c(-c5ccsc5)cnn34)C(=O)N1CC2 1390390 PTMKTZCMJGNIOU-GOSISDBHSA-N 432.505 3.771 0 40 IHAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3nc4ccccc4s3)cc2)n1 1771861 QHVXOMVOHVFUEL-UHFFFAOYSA-N 439.522 3.756 0 40 IHAB CC1(C)SC(=S)N(CCc2ccccc2F)[C@@H]1n1oc(=O)n(-c2ccccc2)c1=O 2217259 HDYQZPBUXYWXSR-QGZVFWFLSA-N 445.541 3.585 0 40 IHAB COc1cc(OC)cc(-c2nnc(SCC(=O)Nc3cccc(C(=O)O)c3)s2)c1 2230901 FMDDCVFNRXGSTR-UHFFFAOYSA-N 431.495 3.651 0 40 IHAB CC(=O)Nc1ccc(-n2cc3c(c2-c2ccc(C(C)(C)C)cc2)c(=O)n(C)c(=O)n3C)cc1 2235287 AGMSQBBKEVQNBG-UHFFFAOYSA-N 444.535 3.951 0 40 IHAB O=C(COC(=O)c1ccc(I)cc1)Nc1ccc(F)c(Cl)c1 3232584 SZLKYUPURKARPM-UHFFFAOYSA-N 433.604 3.879 0 40 IHAB Cc1cc(Br)c(NC(=O)CSc2cccc[n+]2[O-])c(Br)c1 3287637 VPOBFLQREXPVMH-UHFFFAOYSA-N 432.137 3.884 0 40 IHAB COc1cc(C(=O)N[C@H](C(=O)N[C@@H]2CCCc3ccccc32)C(C)C)cc(OC)c1OC 3437623 ZFZCJBLYESDOLS-KNQAVFIVSA-N 440.540 3.661 0 40 IHAB CCCOc1ccc(N2C(=O)C[C@H](N3CCN(c4ccc(Cl)cc4)CC3)C2=O)cc1 4044416 WAZGWWTXVXEAJU-NRFANRHFSA-N 427.932 3.583 0 40 IHAB Cc1ccc2cc([C@H](c3nnnn3Cc3ccccc3)N3CCC(C)CC3)c(=O)[nH]c2c1 6410122 QGMFDLUNTDCCMF-HSZRJFAPSA-N 428.540 3.693 0 40 IHAB CCOCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1ccc(C(=O)OC)cc1 8845295 GVKIJTJURAOQAB-QFIPXVFZSA-N 435.480 3.541 0 40 IHAB NC(=O)c1ccsc1NC(=O)CN1CCC(c2nc3cc(Cl)ccc3s2)CC1 8855919 CRDQSIKJQRIGCR-UHFFFAOYSA-N 434.974 3.928 0 40 IHAB COc1cc([C@@H]2CC(=O)Nc3nc(C)[nH]c(=O)c32)ccc1OCc1cccc(Cl)c1 9129865 NPIGYNGMPGQYMI-INIZCTEOSA-N 425.872 3.793 0 40 IHAB Cn1c(=O)c2c(-c3ccc(Cl)cc3)n3c(c2n(C)c1=O)[C@@H](c1cccs1)OCC3 9348327 FVOOEPJOBGJNDG-LJQANCHMSA-N 427.913 3.540 0 40 IHAB O=C(CSc1nnc2n1CCCCC2)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 9466389 LJLNVQBBIHKIQJ-KRWDZBQOSA-N 428.558 3.622 0 40 IHAB CCOc1ccc(NC(=O)c2ccc(-n3cccc3)cc2)cc1S(=O)(=O)N1CCCC1 9469709 HZGTZOGBYRQCIF-UHFFFAOYSA-N 439.537 3.913 0 40 IHAB O=C(CNc1ccc(F)cc1Cl)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 9545523 XLAFYKBTVRVTNB-UHFFFAOYSA-N 425.913 3.704 0 40 IHAB O=C(CSc1nnc(-c2cccnc2)n1Cc1ccco1)N1CCC(c2ccccc2)=N1 9665621 YUBZYQMJPYEYEF-UHFFFAOYSA-N 444.520 3.710 0 40 IHAB Cc1c(Cl)cccc1NC(=O)CNC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 9671228 YKFFAIUSIUSYTQ-QGZVFWFLSA-N 435.911 3.909 0 40 IHAB CCOc1ccc(-c2ccc3nnc(SCC(=O)NCc4ccc(F)cc4)n3n2)cc1 9829081 JIHXZALVVWPONZ-UHFFFAOYSA-N 437.500 3.738 0 40 IHAB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 10107342 IFPSDRVTPMVYGP-FMIVXFBMSA-N 442.523 3.566 0 40 IHAB Cc1ccc(CCCNC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 10110445 UMGPOUVXJPMMPI-UHFFFAOYSA-N 428.476 3.529 0 40 IHAB O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1ccc(Br)cc1 10765568 CSBHKMHCCWHVIU-UHFFFAOYSA-N 443.388 3.615 0 40 IHAB COc1cccc(N2C[C@H](c3nc4ccccc4n3CC(=O)N3CCC(C)CC3)CC2=O)c1 12062066 JCLHCYSMIYRTRR-LJQANCHMSA-N 446.551 3.824 0 40 IHAB O=C1NCC2(CCC(C(=O)NCCc3cccc(F)c3)CC2)Oc2ccc(Cl)cc21 12087232 ULEHHSIAFNGVJB-UHFFFAOYSA-N 430.907 3.889 0 40 IHAB CCOC(=O)C[C@H](NS(=O)(=O)c1ccc(Cl)c(OC)c1)c1ccccc1Cl 12413288 LQUALTJKQCBKHN-INIZCTEOSA-N 432.325 3.975 0 40 IHAB CSCC[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 12557456 WXIDZAJCTGYTRL-HBMCJLEFSA-N 443.613 3.912 0 40 IHAB Cc1nc(NC(=O)c2nn(-c3ccc(Cl)cc3)c(C)cc2=O)sc1-c1nccn1C 12575752 XSMYJROFHPMIKI-UHFFFAOYSA-N 440.916 3.612 0 40 IHAB CN(CC(=O)NCc1ccc(Oc2ccc(F)cc2)cc1)S(=O)(=O)c1cccs1 12784478 HSAQZHHXVQTQGH-UHFFFAOYSA-N 434.514 3.616 0 40 IHAB CCCN(CC1CC1)C(=O)CSc1nc(O)c2cnn(-c3cccc(Cl)c3)c2n1 12821054 QKEPHRPKYGLHDA-UHFFFAOYSA-N 431.949 3.915 0 40 IHAB CSc1ccccc1NC(=O)[C@@H](C)OC(=O)[C@]12CCC(=O)N1c1ccccc1S2 12908936 WMVKWXJUXYHQAD-LRTDBIEQSA-N 428.535 3.908 0 40 IHAB Cc1ccccc1[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12920259 QADZXSYUYNKTKN-SFHVURJKSA-N 426.582 3.762 0 40 IHAB O=C(c1sccc1-c1ccccc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 12995898 CCNSADBQROWFRC-UHFFFAOYSA-N 430.526 3.701 0 40 IHAB O=C(c1cc(Cl)nc2ccccc12)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 13037774 KPSVLAYFCBYCGN-OAHLLOKOSA-N 448.910 3.946 0 40 IHAB CC(C)c1ccc(N(CC(=O)NC(C)(C)C)C(=O)CCC(=O)Nc2nccs2)cc1 13151137 KHSKFSWNFSESJJ-UHFFFAOYSA-N 430.574 3.933 0 40 IHAB CC(=O)C[C@@]1(O)C(=O)N(Cc2ccc(OC(C)C)cc2)c2ccc(Br)cc21 13568775 IHMKWSFPEUZJKT-NRFANRHFSA-N 432.314 3.950 0 40 IHAB CCn1c(CC(=O)Nc2ccc(C)cc2)nnc1S[C@H](C)C(=O)NC1CCCCC1 13956630 MWXBJJTZPKPUBN-MRXNPFEDSA-N 429.590 3.717 0 40 IHAB C[C@H](NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)c1ccc(-c2ccccc2)cc1 14168961 PNOWRPVDLVYQCU-FQEVSTJZSA-N 439.515 3.603 0 40 IHAB COc1ccc(C2=NO[C@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)c2ccccc2)c(OC)c1 16020821 NNVCKKWETVELFA-OFVILXPXSA-N 428.444 3.785 0 40 IHAB Cc1ccc(-n2ncc3c(O)nc(-n4nc(C)cc4NC(=O)Cc4cccs4)nc32)cc1 16839219 MSVMBXTZEYSDBD-UHFFFAOYSA-N 445.508 3.566 0 40 IHAB Cc1cc(I)cnc1NC(=O)c1c(F)c(F)c(F)c(F)c1F 17095677 CSSVPTVIBMJDOX-UHFFFAOYSA-N 428.098 3.942 0 40 IHAB O=C(NCc1ccccc1F)c1cc(C2CCN(C(=O)c3ccccc3F)CC2)no1 19349507 QDPMMZLQODHSCF-UHFFFAOYSA-N 425.435 3.903 0 40 IHAB CC(C)NC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)c2cnccn2)C1 19449512 UZUIOFKIIOCNLU-SANMLTNESA-N 428.536 3.743 0 40 IHAB COc1ccc(CN2CC[C@](Cc3ccccc3-c3cccnc3)(C(N)=O)C2)cc1OC 19560805 LBLFRZSJESWUSU-AREMUKBSSA-N 431.536 3.686 0 40 IHAB O=C(CCc1ccccc1)N1CC[C@H](c2c(C(=O)N3CCOCC3)sc3ncccc23)C1 19702375 WPUJFFHWGNBPBU-IBGZPJMESA-N 449.576 3.717 0 40 IHAB Cc1nc([C@H]2CCN(C(=O)c3n[nH]c4c3CCC4)C2)nc2c1CCCN2Cc1ccccc1 19707545 IHYARFBMXMMXAJ-IBGZPJMESA-N 442.567 3.579 0 40 IHAB Cc1ncc(C(=O)NCc2ccccc2)c([C@H]2CCCN2C(=O)c2cc(C(C)C)n[nH]2)n1 19766679 GWULBFRHWIHTDO-OAQYLSRUSA-N 432.528 3.539 0 40 IHAB COC(=O)CSCC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 21137231 KKBNHOUVGPQUKU-UHFFFAOYSA-N 426.416 3.802 0 40 IHAB Cc1csc2nc(COC(=O)c3ccccc3NC(=O)c3ccccc3F)cc(=O)n12 21633156 ZYNJDRHUBSJDKP-UHFFFAOYSA-N 437.452 3.813 0 40 IHAB CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N(C)CC(=O)NC(C)(C)C 21937492 IKVMQWGMIFIQNV-MRXNPFEDSA-N 430.376 3.511 0 40 IHAB CCCOc1ccc(N(CC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)cc1 22401676 HXUMTIBPEHNYIB-FQEVSTJZSA-N 446.569 3.660 0 40 IHAB CCOc1cccc(N(CC(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)S(C)(=O)=O)c1 22426636 NKZXOTBELKYJQZ-HXUWFJFHSA-N 446.569 3.578 0 40 IHAB Oc1c([C@H](c2ccc(Cl)cc2)N2CCC(O)CC2)sc2nc(-c3ccco3)nn12 22852003 QVANZYYGECWQGS-INIZCTEOSA-N 430.917 3.956 0 40 IHAB COc1cccc(CN(C)C(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)c1OC 23528550 SQUUYJPXTWXIAO-UHFFFAOYSA-N 426.900 3.839 0 40 IHAB CC(C)(C)OC(=O)NC1(CNC(=O)C2CCN(C(=O)c3ccco3)CC2)CCCCCC1 24494951 MJFSBCTZSNPDJX-UHFFFAOYSA-N 447.576 3.866 0 40 IHAB CCN(CC)S(=O)(=O)c1c(C)nn(CC(=O)N[C@H](C)c2ccc3ccccc3c2)c1C 24977938 NWKHEJQYBZEKFK-MRXNPFEDSA-N 442.585 3.561 0 40 IHAB C[C@H](C(=O)Nc1cccc2ncccc12)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 25153578 YNSSKMMLRLLOAJ-QGZVFWFLSA-N 445.519 3.928 0 40 IHAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3C(=O)NC3CC3)c2)cc1 26986687 ZROQOLYFDLNUDB-UHFFFAOYSA-N 449.532 3.940 0 40 IHAB CCCn1c(=O)n(CC(=O)N[C@H](c2ccc(Cl)cc2)c2nccn2C)c2ccccc21 32836953 QBICYWHAOHUBMA-OAQYLSRUSA-N 437.931 3.506 0 40 IHAB Cc1cccc(NC(=O)CSCC(=O)Nc2ccccc2C(=O)N2CCCCC2)c1 32972108 HQJJAIHCAJXEJN-UHFFFAOYSA-N 425.554 3.932 0 40 IHAB C[C@@H](Cc1cccs1)N(Cc1ccccc1)C(=O)CN1C(=O)NC2(CCCCC2)C1=O 32988545 OSBOXJXIUVFMGU-SFHVURJKSA-N 439.581 3.963 0 40 IHAB CCc1ccccc1NC(=O)CSc1nc2c3cc(OC)ccc3n(C)c2c(=O)n1C 33287609 PQZRNPRHEXKPLJ-UHFFFAOYSA-N 436.537 3.727 0 40 IHAB O=C(CNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1)Nc1cc(Cl)cc(Cl)c1 33659780 AVSFEJRWLOVYMU-UHFFFAOYSA-N 434.201 3.706 0 40 IHAB COc1ccc(CCn2c(C)cc(C(=O)COC(=O)[C@@H]3COc4ccccc4O3)c2C)cc1 34702751 DPEXFGKMSXNXMK-VWLOTQADSA-N 449.503 3.922 0 40 IHAB O=C(/C=C\c1ccccc1)Nc1c2c(nn1CC(=O)NCc1ccc(F)cc1)CSC2 35127771 XFZUCLOWTXZYPP-FLIBITNWSA-N 436.512 3.737 0 40 IHAB COc1cccc(NC(=O)CSC2=NC3(CCN(C)CC3)N=C2c2ccc(F)cc2)c1 35372943 QVMGKICDFJKWOF-UHFFFAOYSA-N 440.544 3.829 0 40 IHAB O=C1C[C@H](c2ccc(OCc3ccccc3Cl)c(Br)c2)N2N=CNC2=N1 38208278 DOJPSXIUOLNKMX-OAHLLOKOSA-N 433.693 3.857 0 40 IHAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)Nc1ccc(Oc3ccccc3)cc1)O2 38834439 ZORCYTROWXELIE-QFIPXVFZSA-N 438.505 3.953 0 40 IHAB CC[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1cccc3ccccc13)CC(=O)N2 40390534 BQEWJQLJRNDEBK-AEFFLSMTSA-N 445.523 3.757 0 40 IHAB Cc1cc(OCC(=O)Nc2cccc(C)c2C)nc(N2CCN(c3ccccc3)CC2)n1 44170261 FRSDNFWOGOOTTF-UHFFFAOYSA-N 431.540 3.746 0 40 IHAB Cc1cc(OCC(=O)Nc2c(C)cccc2C)nc(N2CCN(c3ccccc3)CC2)n1 44170270 BMKKRXPVXLRNEG-UHFFFAOYSA-N 431.540 3.746 0 40 IHAB CCN1CCN(C(=O)N(Cc2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)CC1 56964067 NRKQIBNDYFQQQK-UHFFFAOYSA-N 429.586 3.560 0 40 IHAB CCc1nnc2sc(-c3cccc(NC(=S)NC(=O)c4ccc(F)cc4)c3)nn12 57316523 PTNIXBNAWWMEFJ-UHFFFAOYSA-N 426.502 3.681 0 40 IHAB CCOc1ccc2nc(NC(=O)[C@@H]3CCCN(c4ccc(-n5cccn5)nn4)C3)sc2c1 62022818 IJFCYMDLRNCXKC-OAHLLOKOSA-N 449.540 3.526 0 40 IHAB C[C@@H](Oc1ccc(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)cn1)c1ccccc1 65521222 CTWREMKSRJLTMU-GOSISDBHSA-N 431.492 3.946 0 40 IHAB COc1ccc(Cc2cc(C)nc([C@@H]3CCCN(CC(=O)Nc4cn(C)nc4C)C3)c2)cc1 72354238 REPOPFABEAQJJU-JOCHJYFZSA-N 447.583 3.849 0 40 IHAB CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCCN1C(=O)c1cn2cccnc2n1 72370681 RENKGFSXMFHYSY-INIZCTEOSA-N 447.564 3.931 0 40 IHAB COC(=O)c1ccc(NC(=O)[C@H]2CCCN(c3cc(-c4ccc(OC)cc4)ncn3)C2)cc1 77191885 CEAAXGQHEIESBY-IBGZPJMESA-N 446.507 3.794 0 40 IHAB CC(C)c1n[nH]c(=S)n1CCNC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 89936829 QPXIEUFJBJLBID-KBPBESRZSA-N 436.557 3.638 0 40 IHAB O=C(Nc1ccccc1Cl)N1CC[C@@H]2CN(Cc3ccccc3)S(=O)(=O)[C@@H]2CC1 96145354 LWSOFGBPKXMBHR-YLJYHZDGSA-N 433.961 3.798 0 40 IHAB CC[C@@H](C)NC(=O)CSC1=N/C(=C/c2ccc(Cl)cc2)C(=O)N1C[C@@H]1CCCO1 96920772 JYAZHQYTOWSNMI-MRSXGANUSA-N 435.977 3.706 0 40 IHAB Cc1cc(CN2CCC[C@H]2c2cc3nc4c(c(O)n3n2)CCN(C(=O)C(C)C)C4)cs1 100234393 BNCAQMWHHITDMN-FQEVSTJZSA-N 439.585 3.683 0 40 IHAB CCOc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](c2ccccc2)NN3Cc2ccccc2)cc1 100896244 SOIABYWLHAPPRM-SMIHKQSGSA-N 427.504 3.705 0 40 IHAB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)NCc1ccc(C(=O)c3ccsc3)s1)C(=O)C2 108249270 RWHKGTCLNNJFHT-VBKZILBWSA-N 437.608 3.855 0 40 IHAB CC1([C@H]2CC[C@H]3[C@@H]4CC[C@H]5CC6(CC[C@]5(C)[C@H]4[C@H]4C[C@@]32C(=O)O4)OCCO6)OCCO1 118918192 SPCOYRJFXKKGPF-ATNQWZQYSA-N 432.557 3.667 0 40 IHAB CCOC(=O)c1cccc(NC(=O)[C@H](CC)N(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 219122105 HTNBFHYCMDGZNB-FQEVSTJZSA-N 432.542 3.663 0 40 IHAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)N3CCc4ccccc43)Oc3ccc(C)cc32)cc1 219402836 QFGLIODBFYOUAU-XMMPIXPASA-N 448.544 3.849 0 40 IHAB COc1ccc(OC)c(N([C@H](C)C(=O)Nc2cccc3ccccc23)S(C)(=O)=O)c1 220207213 BRNMQWYPUSZFMV-OAHLLOKOSA-N 428.510 3.650 0 40 IHAB C[C@H](C(=O)NCCSCc1ccc(Cl)cc1)N(c1cccc(F)c1)S(C)(=O)=O 220469062 RDPPXTSMCJSGFH-CQSZACIVSA-N 444.981 3.683 0 40 IHAB CC[C@H](C(=O)Nc1ccc(OC)cc1)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 220745680 KBRVAWPGYSWGAK-QGZVFWFLSA-N 426.922 3.541 0 40 IHAB CCCOc1ccc(N(CC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)cc1 223212019 XESTVNHZWYWLLB-KRWDZBQOSA-N 430.570 3.608 0 40 IHAB COc1ccccc1CNS(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)c1ccccc1 223268416 SZNJPFOPPMNPOP-KRWDZBQOSA-N 436.533 3.765 0 40 IHAB O=C(NCCCO)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccccc1 223355836 MCFUPWUKULIWCN-AREMUKBSSA-N 430.548 3.888 0 40 IHAB CN(CC(=O)NCCOc1cccc2ccccc12)S(=O)(=O)c1ccc2ccccc2c1 223558900 KVGODOQPVBOWRE-UHFFFAOYSA-N 448.544 3.809 0 40 IHAB CCCc1ccc(OCCNC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc1 223700533 VRFVOFBFKLFVGO-UHFFFAOYSA-N 440.565 3.754 0 40 IHAB CC[C@@H](NC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O)c1ccc(OC)c(C)c1 223926707 FRVBDSFQCFBCFS-GOSISDBHSA-N 442.940 3.830 0 40 IHAB CCOc1ccc(NC(=O)CCc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)cc1 225208442 IGTOGTXSDPYWKS-UHFFFAOYSA-N 446.569 3.840 0 40 IHAB CC[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1ccc(OC)c(C)c1 225543331 CZMXGTWTBHXZBO-WIYYLYMNSA-N 448.560 3.811 0 40 IHAB CCCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C(C)C 225709579 MRJOCRHWOCPIIA-UHFFFAOYSA-N 447.582 3.975 0 40 IHAB CCS(=O)(=O)N1CCCC[C@H]1c1nnc(C2CCN(Cc3ccccc3C)CC2)o1 257202843 ANQZFJYCKPDKBU-FQEVSTJZSA-N 432.590 3.634 0 40 IHAB COc1cc(C)ccc1OCC(=O)N1CCO[C@H](c2cccc(Nc3cccc(C)n3)n2)C1 257227637 FQFNSVUAJYMAOB-QFIPXVFZSA-N 448.523 3.825 0 40 IHAB COc1ccc([C@H]2CN(C(=O)C3(Cc4ccccc4F)CCOCC3)CCN2C)cc1 257243390 IGSWVYMOFSQLIM-HSZRJFAPSA-N 426.532 3.689 0 40 IHAB CNc1nc([C@@H]2CCN(C(=O)C3(Oc4ccccc4)CCCCC3)C2)nc2c1CCN(C)C2 257324073 WNABSPLLRYNLAH-LJQANCHMSA-N 449.599 3.604 0 40 IHAB Cc1cc(C(=O)N2CCOC[C@H](Cc3cncc4ccccc34)C2)nc(N2CCCCC2)n1 257326497 WXJVCKFZDDMAGS-HXUWFJFHSA-N 445.567 3.655 0 40 IHAB O=C(NC1CCCC1)C1=NO[C@@]2(C1)CN(Cc1ccccc1)CC[C@@H]2NCc1ccccc1 306136383 PSBPBXABMBDRSF-BDYUSTAISA-N 446.595 3.625 0 40 IHAB C[C@@H](C(=O)Nc1cccc(Br)c1)N(c1cccc(Cl)c1)S(C)(=O)=O 408560020 XSBQFZBSDRLGMR-NSHDSACASA-N 431.739 3.896 0 40 IHAB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 408602266 IMNGMQHDKPJFOD-SNVBAGLBSA-N 436.839 3.673 0 40 IHAB COc1ccc(S(=O)(=O)Nc2cccc(C(C)=O)c2)cc1C(=O)N1CCC(C)CC1 408702102 CCNWMFHWEIDYEA-UHFFFAOYSA-N 430.526 3.571 0 40 IHAB COc1cccc(OC)c1C(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 409015417 MZBKVKPOAAUSJQ-UHFFFAOYSA-N 447.329 3.957 0 40 IHAB CC(C)OCCCNC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 409253277 BFKNBDSFTCXJNY-UHFFFAOYSA-N 432.586 3.937 0 40 IHAB CN(c1ccccc1C(=O)NCCSCc1c(F)cccc1Cl)S(C)(=O)=O 409335366 ZFZGQFSDLPYFIM-UHFFFAOYSA-N 430.954 3.538 0 40 IHAB CC(=O)N1CCC(CC(=O)N2CCCCCCCN(C(C)=O)c3ccccc3C2)CC1 643567329 CHNJMDMSAHPBHS-UHFFFAOYSA-N 427.589 3.981 0 40 IHAB CCc1ccc2c(c1)Cc1cccc(c1)CN(C(=O)Cn1cc(C)cn1)CCOCCO2 643573740 LQQUQNNAKHOGEE-UHFFFAOYSA-N 433.552 3.783 0 40 IHAB O=C(NC1CCCCC1)[C@@H]1C[C@]2(CO1)CN(Cc1cccc(C(F)(F)F)c1)CCO2 2056226035 IGALZFSUUMOTFF-PZJWPPBQSA-N 426.479 3.514 0 40 IHAB O=C(NC(=S)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(Cl)cc1 675648 DHKUPBDLGJRZED-UHFFFAOYSA-N 437.974 3.641 0 40 IHAB Cc1nc(N2CCN(S(=O)(=O)c3ccccc3)CC2)c2c3c(sc2n1)C[C@@H](C)CC3 1377146 LDDVPQWEBDFTKA-HNNXBMFYSA-N 442.610 3.635 0 40 IHAB aggregator C[C@@H](Oc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 2122874 VQJMILKSUUHGTB-RYUVBPIJSA-N 425.525 3.593 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CSc2nnc3c(Cl)cc(Cl)cn23)cc1 3283321 NBJSYZXSGCIKQP-UHFFFAOYSA-N 425.297 3.944 0 40 IHAB Cc1cn2c(=O)cc(COC(=O)c3cccc(NC(=O)c4ccccc4C)c3)nc2s1 8607208 RBYVLFSBHFEETO-UHFFFAOYSA-N 433.489 3.982 0 40 IHAB C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3nc(-c4ccccn4)cs3)cc2)C1 8663750 SIIMRTLNCSHSFX-HNNXBMFYSA-N 442.566 3.878 0 40 IHAB CCn1c(S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)nnc1[C@@H](C)NC(=O)c1ccccc1 8784367 VNVJYSAWHHDJHD-CABCVRRESA-N 448.552 3.879 0 40 IHAB CC(C)OC(=O)c1ccc(NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 8950163 YNSIFFWZXUDWSP-AWEZNQCLSA-N 439.537 3.787 0 40 IHAB COc1ccc(OC)c(C2=NO[C@@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)c2cccs2)c1 9130138 QAPLYOLNSIOZEF-AUSIDOKSSA-N 434.473 3.846 0 40 IHAB Cc1cc(C)nc(SCc2ccccc2C(=O)N2CCN(C(=O)c3ccco3)CC2)n1 9255164 BWWRZZXCTRFJES-UHFFFAOYSA-N 436.537 3.577 0 40 IHAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 9337786 ITJYQERRHXOGAB-NRFANRHFSA-N 436.943 3.592 0 40 IHAB COc1cccc2sc(N(C[C@@H]3CCCO3)C(=O)Cc3ccc4c(c3)OCO4)nc12 9522441 HENABPWVWSGRMU-HNNXBMFYSA-N 426.494 3.788 0 40 IHAB O=c1[nH]c(CSc2nnc(-c3ccc(F)cc3)n2C[C@H]2CCCO2)nc2ccsc12 9535955 QYEIUNRYPFWIGO-CQSZACIVSA-N 443.529 3.854 0 40 IHAB CN(Cc1ccccc1)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 9584298 IAFXPFHUXDFXLU-UHFFFAOYSA-N 438.549 3.690 0 40 IHAB COCCNC(=O)CSc1[nH]c(-c2ccc(OC)c(OC)c2)nc1-c1ccc(C)cc1 9674145 RJFZYLXYDGUALM-UHFFFAOYSA-N 441.553 3.924 0 40 IHAB Cc1cc(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)NC2CCCCC2)ccc1F 9748384 SKZBISLPMBRSLR-GOSISDBHSA-N 425.570 3.699 0 40 IHAB Cc1cc(Cl)ccc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(Br)cc1 10041570 OOBHFKKJUIAFNJ-NSHDSACASA-N 431.739 3.716 0 40 IHAB Cc1cnc(C(=O)OCC(=O)Nc2sc3c(c2C(=O)c2ccccc2)CCCC3)cn1 11480889 ZITDSEHUWBVFFG-UHFFFAOYSA-N 435.505 3.752 0 40 IHAB O=C(OCc1nc2ccccc2c(=O)n1Cc1ccco1)c1ccc(N2CCCC2=O)cc1 12007685 YTRZHLRBHXSLPK-UHFFFAOYSA-N 443.459 3.522 0 40 IHAB O=C1CCCN1c1ccc(S(=O)(=O)NCCSC23CC4CC(CC(C4)C2)C3)cc1 12374547 WBPXUQYLKHIDBR-UHFFFAOYSA-N 434.627 3.794 0 40 IHAB COc1ccc(-n2cnnc2SCC(=O)NCCSc2ccc(Cl)cc2)cc1 12511696 FZFHFOMJIORXRI-UHFFFAOYSA-N 434.974 3.930 0 40 IHAB Cn1ccnc1[C@@H](NC(=O)CNC(=O)c1ccc(Cl)cc1Cl)c1ccc(F)cc1 12578238 WFHISSOHKQRKJF-SFHVURJKSA-N 435.286 3.502 0 40 IHAB Cn1nc(-c2ccc(F)cc2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)COc1ccccc1 12602090 RJWLQCQACMEKIR-WPYKKVEZSA-N 448.542 3.599 0 40 IHAB biogenic,in-vitro COc1ccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3cccc(Cl)c3)n2)cc1OC 12654636 ZBKDBDGXRBEOOR-ZDUSSCGKSA-N 431.876 3.833 0 40 IHAB c1cncc(CNc2ncc(-c3ccnc(N4CCOCC4)n3)c(-c3cccs3)n2)c1 12666836 BZHKZORHSNLFHG-UHFFFAOYSA-N 431.525 3.506 0 40 IHAB CN(C)S(=O)(=O)c1cccc(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)c1 12753438 QMKTXBFKXKYSHT-UHFFFAOYSA-N 441.534 3.737 0 40 IHAB CNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc(C)c1C 12855804 OGAZKUMGVDOOJQ-MRXNPFEDSA-N 443.594 3.841 0 40 IHAB O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)N1CCN(c2ncccn2)CC1 12922947 CRXKKGPBUBNXNH-UHFFFAOYSA-N 433.459 3.510 0 40 IHAB C[C@H]1CCC[C@H](C)N1C(=O)Cn1c(SCC(=O)NCc2ccco2)nc2ccccc21 13082903 QRAGJHDZIPZQJW-IRXDYDNUSA-N 440.569 3.827 0 40 IHAB Cc1c(NC(=O)[C@H](C)OC(=O)c2ccc3ccccc3c2)c(=O)n(-c2ccccc2)n1C 13149459 VZIMUJISUCWBPZ-KRWDZBQOSA-N 429.476 3.822 0 40 IHAB Cc1sc2nc(N3CCN(C(=O)Nc4cccc(Cl)c4)CC3)n3ncnc3c2c1C 13624815 YRNZUOCQRYHATD-UHFFFAOYSA-N 441.948 3.963 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 13671276 YNOOSOAHXWPLQN-GOSISDBHSA-N 444.597 3.804 0 40 IHAB CC[C@H](C(=O)Nc1cc(C(=O)OC)ccc1C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716445 OHCSDQLRGLWBJP-HXUWFJFHSA-N 432.542 3.582 0 40 IHAB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1C 14877427 UIULSUYWYMBTGS-HRBBJJPOSA-N 449.576 3.815 0 40 IHAB CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Oc3ccc(Cl)cc3C)CC2)cc1 15655447 PNGTUOISKFIKIE-UHFFFAOYSA-N 435.929 3.857 0 40 IHAB Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N3c4ccccc4C[C@@H]3C)CC2)c(C)c1 16022561 FIJZQIFOPGCJEH-IBGZPJMESA-N 426.582 3.990 0 40 IHAB CCCCC(=O)NC(=S)Nc1c(Br)cc(Br)cc1C(=O)O 16637559 YDNNYABNQWGLKI-UHFFFAOYSA-N 438.141 3.913 0 40 IHAB Cc1c(NC(=S)NC(=O)c2ccc(F)cc2)cccc1-c1nn2c(C)nnc2s1 17094895 DZKOGWICUHTYHV-UHFFFAOYSA-N 426.502 3.736 0 40 IHAB Cc1ccc(N2C[C@@H](C(=O)Oc3cccc(N4C(=O)[C@H]5CCCC[C@@H]5C4=O)c3)CC2=O)cc1 18244647 RYAFGJQWHNFHMC-HSQYWUDLSA-N 446.503 3.633 0 40 IHAB O=C(N1CCc2c(nc(N3CCCC3)nc2Oc2cccnc2)C1)C1(c2ccccc2)CC1 19369707 RPLVDQBVEXPLPK-UHFFFAOYSA-N 441.535 3.881 0 40 IHAB CCCN1CCN(C(=O)c2c[nH]nc2C)C[C@@H](Cc2ccc(-c3ccccc3)cc2)C1=O 19502691 DTODYKHPKXHACZ-HSZRJFAPSA-N 430.552 3.938 0 40 IHAB COc1ccc(-c2ccc(C[C@H]3CN(C(=O)CCc4ccncc4)CCNC3=O)cc2)cc1 19558306 VYQBCQRMWGGWLE-DEOSSOPVSA-N 443.547 3.507 0 40 IHAB COc1ccc(CCC(=O)N2CC[C@H](c3ccc4c(NC5CCOCC5)n[nH]c4n3)C2)cc1 19704947 ZCSCNUMMJZWBSN-SFHVURJKSA-N 449.555 3.506 0 40 IHAB O=C(COc1ccccc1F)N1CCC[C@H](c2ccc(C(=O)N3CCCCC3)cn2)C1 19705620 UIUJZKZGQMASCW-IBGZPJMESA-N 425.504 3.632 0 40 IHAB Cc1nc([C@@H]2CCCN2Cc2cnc(N(C)C)nc2)ccc1C(=O)NCc1ccc(F)cc1 19711184 LBHXOSFQXVXBFV-QHCPKHFHSA-N 448.546 3.652 0 40 IHAB CCn1ccc(C(=O)N2CC[C@H](c3cc(C(=O)Nc4nccs4)c4ccccc4n3)C2)n1 19761676 ZMNFDMLHTDWEFW-HNNXBMFYSA-N 446.536 3.790 0 40 IHAB CCCOC(=O)c1ccc(NC(=O)CSc2nc(C)c(C)n2C[C@H]2CCCO2)cc1 22091748 ZMWMMLKOWFEUKA-LJQANCHMSA-N 431.558 3.977 0 40 IHAB CCOc1ccc(CN(CC)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)cc1OC 22474713 GJDMLPJNZUKTQB-QGZVFWFLSA-N 425.529 3.680 0 40 IHAB O=C1NC2(CCCCCC2)C(=O)N1CN1CCN(C(c2ccccc2)c2ccccc2)CC1 22803330 RKMYAZLGYVAHFI-UHFFFAOYSA-N 446.595 3.996 0 40 IHAB O=C(C[C@H]1C(=O)N(C2CCCC2)c2nc3ccccc3n21)Nc1ccc2c(c1)OCCO2 23382366 VDFGDLLBZYILGX-IBGZPJMESA-N 432.480 3.667 0 40 IHAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(c2nc3ccccc3o2)CC1 23534560 AVPGRMAVWSKYJW-QFIPXVFZSA-N 430.508 3.763 0 40 IHAB Cc1sc2nc(CN3CCOCC3)nc(Nc3ccc4c(c3)NC(=O)[C@H](C)O4)c2c1C 23990182 DFWLROPKLZZGBC-ZDUSSCGKSA-N 439.541 3.603 0 40 IHAB NS(=O)(=O)c1ccc(OCCSc2nc(-c3ccco3)nc3ccccc23)cc1 24879476 YUSVDAVIVNBSDU-UHFFFAOYSA-N 427.507 3.708 0 40 IHAB CCOC(=O)c1c(NC(=O)[C@@H](C)OC(=O)c2cc(N)ccc2F)sc2c1CC[C@@H](C)C2 25054329 BUKJVRCGISGZLE-VXGBXAGGSA-N 448.516 3.955 0 40 IHAB O[C@@H](COCCOc1ccccc1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 26781627 DHRGVKAFAYGIMT-AREMUKBSSA-N 446.591 3.850 0 40 IHAB CCn1c(=O)c(C)nc2cc(C(=O)NCc3c(C)nn(Cc4ccccc4)c3C)ccc21 27015902 PWSOUNZLBVLAEN-UHFFFAOYSA-N 429.524 3.516 0 40 IHAB C[C@H](c1nc(C(C)(C)C)no1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 30592589 HBTFRPLUXLZSAR-GFCCVEGCSA-N 447.388 3.741 0 40 IHAB CC(=O)c1cccc(N2C(SCc3cccc(Cl)c3)=N[C@@H]3CS(=O)(=O)C[C@H]32)c1 32640979 ORAWHSRMVDWCLM-RTBURBONSA-N 434.970 3.818 0 40 IHAB O=C(NCCCN1CCCC1=O)c1cc(-c2cccs2)n(-c2ccc(F)cc2F)n1 32645418 AYYFXOANUREOAW-UHFFFAOYSA-N 430.480 3.621 0 40 IHAB COc1ccc(-c2nn3c(=O)cc(CNC(=O)Nc4ccc(Cl)cc4)nc3s2)cc1 32996066 CLPNGBAXNKJXIG-UHFFFAOYSA-N 441.900 3.802 0 40 IHAB Cn1c(CCN2CCN(c3ccccc3)CC2)nc2cc(NC(=O)c3ccco3)ccc21 37866250 CKQYQAZAMQUMRT-UHFFFAOYSA-N 429.524 3.783 0 40 IHAB O=c1c2nc(N3CCOCC3)sc2c(-c2ccco2)nn1Cc1c(F)cccc1Cl 38489358 YSUPQEFRRWSOPB-UHFFFAOYSA-N 446.891 3.790 0 40 IHAB O=C(/C=C/c1ccc2c(c1)OCO2)NCC1CCN(C(=O)c2cc3ccccc3o2)CC1 43990386 QZXSZBJBSGMMIL-SOFGYWHQSA-N 432.476 3.843 0 40 IHAB Cc1csc2nc(CN3CCCC[C@H]3[C@@H]3CCCN3C(=O)OC(C)(C)C)cc(=O)n12 58133679 FTFLKOBZRCPQIJ-ROUUACIJSA-N 432.590 3.818 0 40 IHAB CCN(CC)C[C@H](C)NC(=O)Nc1ccc(C)c(NC(=O)N[C@@H](C)CN(CC)CC)c1 58162686 SLBIOVTZRCSDQC-OALUTQOASA-N 434.629 3.699 0 40 IHAB CCOc1cccc(CNC(=O)c2cn(-c3ccc(-c4nc(C5CC5)no4)cn3)cn2)c1 71768269 HLBYEQLULDZWNG-UHFFFAOYSA-N 430.468 3.523 0 40 IHAB CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(CN3CCOCC3)c3cccnc23)c1 72311168 HUZXXWSBAGDUCB-GOSISDBHSA-N 433.508 3.676 0 40 IHAB CCOc1ccc(CN2CCC[C@@H](c3cc(N(C)C)nc(-c4cccnc4)n3)C2)cc1CO 72352946 ZQPVZFYDQCYLML-OAQYLSRUSA-N 447.583 3.875 0 40 IHAB Cc1nn(C)cc1S(=O)(=O)N1CCC[C@H]1c1cccc(Cc2ccccc2Cl)n1 72358181 DJOPUFXGLAZBAN-FQEVSTJZSA-N 430.961 3.894 0 40 IHAB Cc1ccc([C@@H](CNc2cc(Cn3ncc4ccccc4c3=O)nc(C)n2)N(C)C)cc1 72373242 QJKJXXWUYLPTPL-HSZRJFAPSA-N 428.540 3.566 0 40 IHAB COc1ccc(-c2noc(-c3ccc(=O)n(Cc4ncc(C)c(OC)c4C)c3)n2)cc1F 77200473 HAFADKHMJAJGQZ-UHFFFAOYSA-N 436.443 3.782 0 40 IHAB O=C1CCc2cc(S(=O)(=O)N[C@H](c3ccccc3)C3CC3)c(Br)cc2N1 79111914 RYKZHLDIADOOQM-LJQANCHMSA-N 435.343 3.763 0 40 IHAB COc1ccc(-c2nc(C(=O)N[C@H](c3nc(-c4nc[nH]n4)no3)C(C)(C)C)cs2)cc1 89642948 CWFAZULDNRFEJI-CQSZACIVSA-N 439.501 3.504 0 40 IHAB CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@]12NC(=O)N(CCCOc1ccc(F)cc1)C2=O 95405523 KWZCAMFASZLIQG-WAIKUNEKSA-N 449.523 3.600 0 40 IHAB O=C(OCc1nnc(-c2ccccc2)o1)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 97654835 DTDQMXJCPCBDIX-XMHGGMMESA-N 440.419 3.725 0 40 IHAB O=C1N[C@@]2(C[C@@H]3CC[C@@H]2C[C@@H]3C(=O)N2CCC(c3ccncc3)CC2)Nc2ccccc21 100117997 PPKIIDSMOHUKKU-PPHVANOWSA-N 430.552 3.776 0 40 IHAB COc1cccc(C(=O)COc2ccc(N3C(=O)[C@@H]4[C@@H]5C=C[C@H]([C@H]6C[C@@H]65)[C@H]4C3=O)cc2)c1 101879886 SJLOWJZQCCYZGS-JGELFBEGSA-N 429.472 3.514 0 40 IHAB COc1cccc(NC(=O)CCCN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1 113960979 WMRROYGRCIYJHQ-UHFFFAOYSA-N 430.448 3.899 0 40 IHAB Cc1ccc([C@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)cc1C 219255277 ZSOZTEWAEAAMPH-SFHVURJKSA-N 432.561 3.862 0 40 IHAB CCOc1ccc(N([C@@H](CC)C(=O)N[C@@H](C)COc2ccc(C)cc2)S(C)(=O)=O)cc1 220680541 GYKQFXRNIWIAHI-AVRDEDQJSA-N 448.585 3.522 0 40 IHAB CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(OC)cc1 222731286 APJKNKWMCVFQDP-CYBMUJFWSA-N 425.312 3.544 0 40 IHAB COc1ccc(N(CC(=O)NCc2ccc3ccccc3c2)S(C)(=O)=O)cc1Cl 222761397 NLFKXLWJTWMERA-UHFFFAOYSA-N 432.929 3.584 0 40 IHAB Cc1ccc([C@H](NC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)c2ccccc2)cc1 223283631 MKSCQHDCPAODCM-XMMPIXPASA-N 438.549 3.675 0 40 IHAB CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2C(=O)O)o1 223284362 MPMFQGWCYIWSGU-SFTDATJTSA-N 436.537 3.574 0 40 IHAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccccc1OC 223878306 PZUHQSKZHXJNMZ-AWEZNQCLSA-N 439.339 3.934 0 40 IHAB Cc1ccccc1CS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 224546323 BWISKXBDLIRKNO-UHFFFAOYSA-N 434.514 3.877 0 40 IHAB O=C(NCCCc1ccccc1Cl)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 225488558 OQAZKTINKDVGQB-UHFFFAOYSA-N 438.952 3.629 0 40 IHAB Cc1cc(N2C[C@@H](C)C[C@H](C)C2)nc(NC(=S)NCc2ccc3c(c2)OCCO3)n1 226015656 HKOORHHVIZBFPH-GJZGRUSLSA-N 427.574 3.525 0 40 IHAB O=c1c(=CC2=Cc3ccccc3OC2)sc2nc(-c3ccccc3Br)nn12 254292585 HLZBKQBRKLAYRD-UHFFFAOYSA-N 438.306 3.556 0 40 IHAB CCCN1CCN(C(=O)c2cc(C(C)C)n[nH]2)[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O 257221703 DQDYQYROSHGSGV-DEOSSOPVSA-N 445.567 3.901 0 40 IHAB COc1ccc(Nc2ncccc2C(=O)N2CCN(C(C)=O)[C@@H](c3ccccc3)C2)cc1 257257185 KOKMVTSWEQPOFE-HSZRJFAPSA-N 430.508 3.879 0 40 IHAB CNc1cc([C@@]2(C)CCCN(C(=O)C3(Cc4ccc(F)cc4)CCOCC3)C2)nc(C)n1 257261202 LGECXKIPJSCWPP-DEOSSOPVSA-N 440.563 3.885 0 40 IHAB O=C1O[C@@]2(CCN(C(=O)C3(Cc4ccccc4)CCOCC3)C2)CN1CCc1ccccc1 257313540 UTBMSLPFZZPINQ-HHHXNRCGSA-N 448.563 3.692 0 40 IHAB COc1ccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@H]4NC(C)=O)cc1CN1CCOCC1 257326792 WYOVSRPWNGXBSI-SYOGCCDTSA-N 442.600 3.546 0 40 IHAB Cc1ccccc1NC(=O)CSc1nnc(-c2cc(Br)ccc2O)n1C 408544840 VNUYKGVWTNJQOV-UHFFFAOYSA-N 433.331 3.989 0 40 IHAB Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H](C)C=CC[C@H]4C3=O)cc2)c(C)c1 408661187 MDWBWWMRURTTOJ-LQNXUBFPSA-N 446.503 3.801 0 40 IHAB CCOC(=O)COc1ccc2ccccc2c1/C=c1/sc2nc3ccccc3n2c1=O 408924123 QHZZTEWLDDHRIY-FYJGNVAPSA-N 430.485 3.552 0 40 IHAB COc1cccc(N(CC(=O)NCCC2=CCCCC2)S(=O)(=O)c2ccccc2)c1 409027225 AKALJIJIRRYDSX-UHFFFAOYSA-N 428.554 3.897 0 40 IHAB CCOc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)c2ccccc12 409235309 ORRLBJNXUGBZFY-XSFVSMFZSA-N 445.475 3.779 0 40 IHAB Cc1cc(Cl)ccc1NC(=O)CSc1nnc(CNC(=O)c2ccccc2F)n1C 409349259 VEKRKKIHQIASEK-UHFFFAOYSA-N 447.923 3.577 0 40 IHAB O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1Cl)NC1CCCC1 409392728 TVWYKIGWSWCAMR-UHFFFAOYSA-N 434.945 3.529 0 40 IHAB CCOc1ccc(Cc2cc(C(=O)[C@@H]3O[C@@H]4OC(C)(C)O[C@H]4[C@H]3O)ccc2Cl)cc1 504093957 TUBVOYXRJBKZBN-MYGLTJDJSA-N 432.900 3.750 0 40 IHAB O=C(c1cccs1)N1CCO[C@@]2(C1)C(=O)N(Cc1cccs1)C[C@@H]2c1ccccc1 585107051 PEOZSFPPTPXLDU-AUSIDOKSSA-N 438.574 3.847 0 40 IHAB Cc1cnc(Nc2cccc([C@@H]3CN(C(=O)Cn4cnc5ccccc54)CCO3)n2)s1 643550242 ANSRXTSGDLIMJR-IBGZPJMESA-N 434.525 3.540 0 40 IHAB Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(CC(=O)N2CCCc3ccccc32)CC1 2086875521 UJWIZZAQCGGXGU-UHFFFAOYSA-N 448.542 3.535 0 40 IHAB Cc1ccsc1C(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 3314642 ALVSZCWUNSMJOM-UHFFFAOYSA-N 428.432 3.707 0 40 IHAB CCC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@@](CC)(c3ccc(Cl)cc3)C2=O)cc1 3446832 DPYYEHHIYPIEDT-QFIPXVFZSA-N 427.888 3.729 0 40 IHAB C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1c(SCC(=O)N2CCCCC2)nc2ccccc21 4859215 CGZITAHHAJSUCX-QZTJIDSGSA-N 428.602 3.930 0 40 IHAB CN(C)C(=O)CSc1nnc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)o1 8619716 BODLXOCESVMLAZ-MRXNPFEDSA-N 445.545 3.540 0 40 IHAB COc1ccc(-c2nc(CCNC(=O)c3cc(OC)c(OC)c(OC)c3)cs2)cc1 8860317 HFZXZDJNXPWNLM-UHFFFAOYSA-N 428.510 3.817 0 40 IHAB Cc1cc(C)cc(N2C[C@@H](c3nnc(NC(=O)c4ccc5c(c4)OCO5)s3)CC2=O)c1 9198218 ZORGKJDRKZPTHD-HNNXBMFYSA-N 436.493 3.656 0 40 IHAB CC1=C2C(=NC(=O)[C@@H](NC(=O)c3ccccc3)[C@@H]2c2cccc(F)c2)N(c2ccccc2)N1 9223692 BIJDFFJLLUNDSO-PKTZIBPZSA-N 440.478 3.945 0 40 IHAB COc1cc(OC)c(NC(=O)[C@@H]2CS[C@]3(c4cccs4)CCC(=O)N23)cc1Cl 9544900 JISGBUZOVZWBOK-DJJJIMSYSA-N 438.958 3.948 0 40 IHAB Nc1nc(COC(=O)c2cccc(NC(=O)c3cccs3)c2)nc(Nc2ccccc2)n1 9669486 CSRLCEMJBDLUAL-UHFFFAOYSA-N 446.492 3.868 0 40 IHAB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1cccc(I)c1 9709708 VHOYXSPMCIBPJP-UHFFFAOYSA-N 431.237 3.532 0 40 IHAB COc1ccc(Cn2nnnc2SCC(=O)N2CC[C@H](C)Sc3ccccc32)cc1 9783373 VILZFGSEQXDKOZ-HNNXBMFYSA-N 441.582 3.740 0 40 IHAB COc1cc2c(cc1OC)CN(C(=O)c1nn(-c3ccccc3)c(=O)c3ccccc13)CC2 9832053 SQRZVAOHQFUBCJ-UHFFFAOYSA-N 441.487 3.601 0 40 IHAB O=C(CSc1nc(=O)n(C[C@H]2CCCO2)c2c1CCC2)Nc1cccc2ccccc12 10255386 ALEVUQHKLFUVIY-QGZVFWFLSA-N 435.549 3.795 0 40 IHAB Cc1cc(C(F)(F)F)n2nc([C@H]3CCCN(C(=O)c4n[nH]c5c4CCCC5)C3)cc2n1 12088417 FTRMAWILLUOFNP-ZDUSSCGKSA-N 432.450 3.678 0 40 IHAB Cc1ccc(-c2nnn(CC(=O)N(c3ccccc3C)[C@@H](C)C(=O)NCCC(C)C)n2)cc1 12479230 WCGLLTFKOIVGSZ-FQEVSTJZSA-N 448.571 3.541 0 40 IHAB CCS(=O)(=O)N1CCc2cc(C3=NN=C(Nc4c(C)cccc4C)SC3)ccc21 12592601 RZQLRIMEFCPNHT-UHFFFAOYSA-N 428.583 3.935 0 40 IHAB CCOc1ccc(C(=O)N[C@@H](C(=O)NC[C@H](c2ccccc2Cl)N(C)C)C(C)C)cc1 12801562 GUBGSSBTGVNDMV-FGZHOGPDSA-N 445.991 3.912 0 40 IHAB Cc1cccc(-c2nnc(S)n2CCC(=O)NC[C@@H](c2ccccc2)N2CCCC2)c1 12971261 UBHJZXOUVJQRPM-NRFANRHFSA-N 435.597 3.886 0 40 IHAB Cc1nn(Cc2ccccc2)c(C)c1CNS(=O)(=O)c1cccc(Br)c1 12994319 VOUUVAVVVXINAD-UHFFFAOYSA-N 434.359 3.789 0 40 IHAB COc1ccc([C@@H](c2nnnn2C2CCCC2)N2CCN(c3cccc(OC)c3)CC2)cc1 13503879 KKXYIKXKOZAHSQ-DEOSSOPVSA-N 448.571 3.717 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)N2CCC[C@H](C)C2)c2ccc(Cl)cc2)cc1 13669397 SVGZTAGWGAHZRH-INIZCTEOSA-N 436.961 3.802 0 40 IHAB CN(C)S(=O)(=O)c1ccc(OCCOc2ccc(OCc3ccccc3)cc2)cc1 14074826 SOCJYDMLCOMZBH-UHFFFAOYSA-N 427.522 3.974 0 40 IHAB CCOC(=O)[C@@H]1CSCCN1C(=O)c1cc(-c2cccs2)nn1-c1ccccc1 14184179 FBYYJDOMFGTPMO-SFHVURJKSA-N 427.551 3.722 0 40 IHAB O=S(=O)(c1ccc(Br)cc1Cl)N1CCC[C@H]1c1nnc2ccccn12 14189204 MNNUPMFNEPCQMC-ZDUSSCGKSA-N 441.738 3.671 0 40 IHAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)OCC(=O)N1CCc2sccc2C1 14318259 IRRUXAOUJUBWRC-UHFFFAOYSA-N 430.507 3.705 0 40 IHAB COc1ccc(S(=O)(=O)[C@@H](CNC(=O)c2cccc(OC)c2)c2cccs2)cc1 15780883 GLGWBVMSQRAJJZ-FQEVSTJZSA-N 431.535 3.710 0 40 IHAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(COc2ccc(F)cc2)o1 16680194 OOLABGIHHHEGPY-ZDUSSCGKSA-N 442.472 3.644 0 40 IHAB C[C@@H]1CCCCN1C(=O)Cn1c2ccc(F)cc2c2ncn(Cc3ccccc3)c(=O)c21 16841518 YJWNBZRAWQSSBW-QGZVFWFLSA-N 432.499 3.940 0 40 IHAB CCCNC(=O)[C@@H](C)NC(=O)c1cc(Br)c(OCc2ccccc2)c(OC)c1 17800778 FCTSRTPQHGPVMJ-CQSZACIVSA-N 449.345 3.681 0 40 IHAB CCCNC(=O)[C@]1(Cc2ccccc2-c2ccc(F)cc2)CN(C(=O)C(C)C)CCO1 19503610 CDLYBIMUNFSIQJ-VWLOTQADSA-N 426.532 3.815 0 40 IHAB CCc1cc(C(F)(F)F)c2c(C3CCN(C(=O)CCCn4cncn4)CC3)noc2n1 19522048 YMARGXOETBXVNC-UHFFFAOYSA-N 436.438 3.582 0 40 IHAB COc1ccc(-c2ccc(C[C@@H]3CN(C(=O)c4cccc(OC)c4)CCNC3=O)cc2)cc1 19558327 GLKAKNDACUCGGI-HSZRJFAPSA-N 444.531 3.802 0 40 IHAB CCn1cc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@@H]3CC[C@H]2C3=C(C)C)c(C(=O)NC2CCCCC2)n1 19636634 UWBBAKSRUFMVAU-JSJNYSNDSA-N 442.560 3.597 0 40 IHAB CCOc1ccccc1C(=O)N1CCC(c2nc(-c3ccc(OC)cc3)c(C(N)=O)[nH]2)CC1 19697015 LAKNBHIUOZEEND-UHFFFAOYSA-N 448.523 3.603 0 40 IHAB COc1ccc(CC(=O)N2CCCC[C@@H]2c2nc(C)c3c(n2)N(C2CC2)C(=O)CC3)cc1C 19741159 OGPFGBPTSOVOHB-OAQYLSRUSA-N 448.567 3.840 0 40 IHAB Cc1ncc(C(=O)Nc2ccccc2)c([C@H]2CCCCN2CC(=O)Nc2nccs2)n1 19767234 SLHSEDFSXIJUDE-GOSISDBHSA-N 436.541 3.660 0 40 IHAB COc1ccc([C@@H](C)NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 20111511 DPRYFNADWORAPZ-GFCCVEGCSA-N 431.341 3.645 0 40 IHAB O=C(NCc1ccc(-n2ccnc2)cc1)c1ccccc1NS(=O)(=O)c1ccccc1 20493294 QPEHBGFFDVHNGD-UHFFFAOYSA-N 432.505 3.603 0 40 IHAB Cc1nc(CN2CCN(C(=O)c3ccc(OCc4c(C)noc4C)cc3)CC2)cs1 22225620 NYJSFCRJNVIXNA-UHFFFAOYSA-N 426.542 3.593 0 40 IHAB OCCn1c(CN2CCN(Cc3nc4ccccc4s3)CC2)nc2ccc(Cl)cc21 22924389 MQJDWOVLOUSEPR-UHFFFAOYSA-N 441.988 3.610 0 40 IHAB O=S(=O)(c1ccc(N2CCC(c3nc4ccccc4s3)CC2)nc1)N1CCCC1 23745257 NPNWBANMHPUIGW-UHFFFAOYSA-N 428.583 3.860 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2cc(C)nc3ccc(C)cc23)cc1 23953485 LNNRCKBDKJSYHK-UHFFFAOYSA-N 425.554 3.812 0 40 IHAB CC[C@@H](C)[C@H](CO)NC(=O)CCc1c(C)c2c(OC)cc3c(c2oc1=O)CCC(C)(C)O3 25077151 POLIAQSFAVJGDE-KDOFPFPSSA-N 445.556 3.669 0 40 IHAB biogenic COc1cc(/C=c2/sc3nc4c(Br)c(C)c(C)cc4n3c2=O)ccc1O 27531926 AOJKGZMCFCCQCS-OVCLIPMQSA-N 431.311 3.550 0 40 IHAB COc1ccc(C(=O)Nc2cc3c(cc2Sc2ccccc2)n(C)c(=O)c(=O)n3C)cc1 28049035 LZYLHWBVWUKMMG-UHFFFAOYSA-N 447.516 3.649 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2nc(-c3cccc(OC)c3)no2)cc1 32759402 GYDROZXPEDRGPF-MRXNPFEDSA-N 444.557 3.627 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NCc3ccc(F)cc3)cc2)cc1C 32933538 CGTMUEHPVSNMGT-UHFFFAOYSA-N 448.541 3.722 0 40 IHAB COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CN1CCc2ccccc2C1 35937956 WSRJSHSLWYGNMV-UHFFFAOYSA-N 442.313 3.714 0 40 IHAB CCn1ncc([C@H](C)NC(=O)c2cc(-c3cccc(OC)c3)nc3c2c(C)nn3C)c1C 36616081 YRJNLSOCAITPJJ-AWEZNQCLSA-N 432.528 3.968 0 40 IHAB Cc1nn2c(nnc3c(=O)n(NC(=O)c4ccc(F)cc4)ccc32)c1-c1ccc(Cl)cc1 40396050 XWWCJMJEQVPMSB-UHFFFAOYSA-N 448.845 3.591 0 40 IHAB O=C(Nc1ccc(=O)n(Cc2ccccc2Cl)c1)N(C[C@@H]1CCCO1)C[C@@H]1CCCO1 48237059 ZWAJIJKDAXTFEP-PMACEKPBSA-N 445.947 3.742 0 40 IHAB Cc1cccc(-c2noc(Cn3c(=O)n(-c4ccc(F)cc4)c(=O)c4sccc43)n2)c1 48986496 NXZFYBKRQPDFQQ-UHFFFAOYSA-N 434.452 3.760 0 40 IHAB CCc1nnc2c(S(=O)(=O)N(Cc3cccc(F)c3)c3ccc(F)cc3)cccn12 49404940 YJYHXZVIKMPESV-UHFFFAOYSA-N 428.464 3.965 0 40 IHAB CCOc1ccc([C@@H](C)NCc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)cc1OCC 49625250 BNMQSAFLDFAADM-CQSZACIVSA-N 427.501 3.589 0 40 IHAB CCOc1ccc(-c2nc(Cn3nnc(C(=O)Nc4cccc(C)c4)c3N)c(C)o2)cc1 57511768 XILHEGWNERMPDG-UHFFFAOYSA-N 432.484 3.831 0 40 IHAB COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)NCc2cccc(CN3CCCCCC3)c2)cc1 58167934 IYEMUYOUHJAGCQ-FFXXTYGZSA-N 449.595 3.906 0 40 IHAB CCOC(=O)c1cnn(-c2ccc(C(=O)N(C)Cc3nc(C)c4ccccc4n3)cc2)c1C 58227647 VTNSAOJWCTWZDG-UHFFFAOYSA-N 443.507 3.881 0 40 IHAB COc1ccc(Cl)cc1/N=c1\oc2cc(O)ccc2cc1C(=O)NC[C@H]1CCCO1 67298841 XDHNZPMKDYQNGK-WGJYXZIMSA-N 428.872 3.942 0 40 IHAB CC(=O)c1cccc(NC(=O)Cn2nnc(C(=O)Nc3cc(Cl)ccc3C)c2C)c1 67322997 JZRDOIWHUHQJSB-UHFFFAOYSA-N 425.876 3.642 0 40 IHAB CCOc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccc(C)c(Cl)c3)c2C)cc1 67323049 MNUHITZKXHAAJR-UHFFFAOYSA-N 427.892 3.838 0 40 IHAB COc1ccc(-n2cc(C(=O)NCc3ccc(OC)c(OC)c3)c3ccccc3c2=O)cc1 71287144 MVRHOUSGTDZFSL-UHFFFAOYSA-N 444.487 3.947 0 40 IHAB Cc1csc(SCc2c(C(=O)NC3CCS(=O)(=O)CC3)oc3ccccc23)n1 71957860 CVUDHWCKFXTODS-UHFFFAOYSA-N 436.580 3.797 0 40 IHAB Cc1nc(CN(C)C(=O)CCc2ccccc2)nc2c1CCC(=O)N2CCc1ccccc1 72371010 KRBJEJMBTOTCMZ-UHFFFAOYSA-N 442.563 3.898 0 40 IHAB CCn1cc(S(=O)(=O)N2CCC(c3ccc(Nc4ncccc4C)cn3)CC2)c(C)n1 72374300 BAVAWDCLMHPVBN-UHFFFAOYSA-N 440.573 3.622 0 40 IHAB CCc1cc(C(F)(F)F)n2nc([C@H]3CCCN3C(=O)c3cc(C)c(C)[nH]c3=O)cc2n1 72389781 XJJGJZGRPBUCPD-MRXNPFEDSA-N 433.434 3.593 0 40 IHAB C[C@H](C(=O)NCCn1ccc2ccc(Br)cc21)N1Cc2ccccc2C1=O 80331517 YPFXWCLSWSIGPZ-CQSZACIVSA-N 426.314 3.565 0 40 IHAB O=C1[C@H]2[C@@H](Sc3[nH]c(=O)sc3[C@H]2c2ccccc2)C(=O)N1c1ccc(Cl)cc1 85396582 WJWCKMBMZIMZKF-SQWLQELKSA-N 428.922 3.886 0 40 IHAB CN(c1ccc(NC(=O)N2CCN(C(=O)c3cccnc3)CC2)cc1F)C1CCCCC1 95351918 SZSXBJCXMUWKQC-UHFFFAOYSA-N 439.535 3.980 0 40 IHAB O=C1N[C@@]2(C[C@H]3CC[C@H]2C[C@@H]3C(=O)N2CCC(c3ccncc3)CC2)Nc2ccccc21 100118004 PPKIIDSMOHUKKU-UYFZRMNSSA-N 430.552 3.776 0 40 IHAB COc1ccccc1OCC(=O)NC[C@H]1CC[C@H](c2nnc(-c3scnc3C)o2)CC1 100156487 AQUJAUNDGSJHLQ-IYBDPMFKSA-N 442.541 3.979 0 40 IHAB CCc1ccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)C(=O)c2ccccc2)cc1 100396429 NSUNHNZFLSVMNS-ISGSKPSGSA-N 426.516 3.906 0 40 IHAB CC(=O)Nc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 101221423 IYRVNKAGCDPRBN-ZLNRFVROSA-N 445.450 3.835 0 40 IHAB COc1ccc(S(=O)(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc1N1CCCC1=O 219228866 DIHHMXFJZYAJLD-GOSISDBHSA-N 444.553 3.711 0 40 IHAB Cc1c(C(=O)Nc2ccccc2C(=O)N2CCCCCC2)cccc1N(C)S(C)(=O)=O 222435421 AJTKOENRZSNZNX-UHFFFAOYSA-N 443.569 3.659 0 40 IHAB CC1CCN(S(=O)(=O)c2cccc(C(=O)Nc3nnc(-c4ccccc4)s3)c2)CC1 222792686 TZGJKQTYFFWDEC-UHFFFAOYSA-N 442.566 3.878 0 40 IHAB COCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1Cl 222801581 IMPDMMYXOLVAPH-OAHLLOKOSA-N 439.339 3.552 0 40 IHAB CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN1C(=O)c2cccc3cccc1c23 223083849 ZJXZQOYAOXPUSI-NRFANRHFSA-N 429.520 3.662 0 40 IHAB Cc1cc(C(=O)NCCCN2CCC(C)CC2)ccc1N(C)S(=O)(=O)c1ccccc1 224197807 VEMIEZXXESAXIR-UHFFFAOYSA-N 443.613 3.672 0 40 IHAB CC[C@@H](C(=O)Nc1ccc2c(c1)sc(=O)n2CC)N(c1cccc(C)c1)S(C)(=O)=O 225116309 UJNBIBWGADQKJR-KRWDZBQOSA-N 447.582 3.575 0 40 IHAB CC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccc(OC)c(C)c1 225494167 CGXNSKHMAZDRCE-NRFANRHFSA-N 448.560 3.811 0 40 IHAB CCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C(C)C 225709543 CFOFHFUGZRIOON-UHFFFAOYSA-N 433.555 3.585 0 40 IHAB Cc1cc(N2CCCCC2)nc(NC(=S)NCC2(c3ccc(F)cc3)CCOCC2)n1 226001781 GFLMTNLQZHEXSZ-UHFFFAOYSA-N 443.592 3.949 0 40 IHAB O=C1NCCN(C(=O)c2ccc3c(c2)CCCC3)[C@H]1Cc1ccc(-c2ccncc2)cc1 257253577 JZKYRHSDBMHDTP-VWLOTQADSA-N 425.532 3.811 0 40 IHAB Cc1cc(C)cc(N([C@H](C)C(=O)NCCOc2cccc3ccccc23)S(C)(=O)=O)c1 260949350 WVMCNVIHXMWXAV-LJQANCHMSA-N 440.565 3.806 0 40 IHAB Cc1cccc(CN2C[C@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccsc2)C3=O)c1 306137105 QLOMMCQCVOCDBE-NOZRDPDXSA-N 433.577 3.849 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H](C)c2ccccc2)C1 408555315 AHJZEWFUPPJFEN-DOTOQJQBSA-N 436.961 3.627 0 40 IHAB CC(=O)c1cccc(NS(=O)(=O)c2ccc(O[C@@H](C)C(=O)NC3CCCCC3)cc2)c1 408594474 SIVXPHHNUHYHRC-KRWDZBQOSA-N 444.553 3.906 0 40 IHAB Cc1cccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)[C@H]5CCCC[C@H]5C4=O)cc3)CC2=O)c1 408658396 JFFXXJOEJVQESJ-YHYVQYDKSA-N 446.503 3.633 0 40 IHAB Cc1ccc(C)c(NC(=O)COC(=O)CCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)c1 408661060 CVDLZKRTQVRSDP-UHFFFAOYSA-N 440.496 3.769 0 40 IHAB Cc1cccc(CNC(=O)c2ccccc2NC(=O)C(=O)NC[C@H](C)c2ccccc2)c1 408710342 YEJSOGMACWWJHO-IBGZPJMESA-N 429.520 3.783 0 40 IHAB CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)ccc1OC 408928342 AEUYVENCSHFJPS-MHWRWJLKSA-N 431.286 3.949 0 40 IHAB CCOc1cc2c(cc1/C=C1/SC(=O)N(CC(=O)Nc3ccccc3C)C1=O)OCO2 409094921 GRHZKYHJWNMRFA-DJKKODMXSA-N 440.477 3.797 0 40 IHAB CCc1ccc(NC(=O)Cn2nc(CNC(=O)c3ccccc3C)n(CC)c2=S)cc1 409169474 RAVXXWAVOKBTGD-UHFFFAOYSA-N 437.569 3.874 0 40 IHAB COc1ccc(C)cc1NC(=O)/C=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1 409190946 CGVNGZXEVXMQTN-ACCUITESSA-N 426.494 3.727 0 40 IHAB CC(C)COC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccccc3C(=O)O)o2)C1=O 409202195 PXUVUWTXLXVZMC-MFOYZWKCSA-N 429.450 3.880 0 40 IHAB CCOc1cc2c(cc1/C=C1/SC(=O)N(CC(=O)Nc3cccc(F)c3)C1=O)OCO2 409228491 ARIVDJXGRXPZSJ-CNHKJKLMSA-N 444.440 3.628 0 40 IHAB O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl)Nc1ccccc1F 409266723 XWPGIWZTLXLFSG-UHFFFAOYSA-N 448.903 3.975 0 40 IHAB COc1cccc(N2C[C@@H](C(=O)Nc3ccccc3-c3cn4c(n3)CCCC4)CC2=O)c1 575619371 JXZBBGHQPHPBBY-KRWDZBQOSA-N 430.508 3.887 0 40 IHAB Cc1nc(CN2C(=O)CC[C@]23CCCN(c2cc(C(F)(F)F)ncn2)CC3)cs1 585100095 FQNDZHIBRWHPEN-SFHVURJKSA-N 425.480 3.812 0 40 IHAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)N1CCCc2ccc(S(=O)(=O)N(C)C)cc21 606231725 FOXZWSQGBSGDHP-NQSCKRDGSA-N 436.618 3.694 0 40 IHAB Cc1ccc2c(c1)Cc1cccc(c1)CN(C(=O)CCc1ccnn1C)CCOCCO2 643573367 YWIKPYDJHJZBAK-UHFFFAOYSA-N 433.552 3.690 0 40 IHAB Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)NC[C@@H]3OCCc4ccccc43)C2)cc1 670125397 USDICRYGMOWDFV-XXBNENTESA-N 436.556 3.852 0 40 IHAB O=S(=O)(NCc1cccc(-c2nc(CC(F)(F)F)no2)c1)c1cccc(Cl)c1O 1190919234 CNLBAZMKFJUUNB-UHFFFAOYSA-N 447.822 3.679 0 40 IHAB CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)/C=C/c1cccc(-c2ccc(Cl)cc2)c1 1567949607 IFWYLTHNRLHAFI-RESFZXHASA-N 432.973 3.854 0 40 IHAB Cc1cccc(OC[C@@H]2CCCN(S(=O)(=O)c3ccc(-c4coc(C)n4)cc3)C2)n1 1775973337 QIAFYDUXSDTSEE-GOSISDBHSA-N 427.526 3.833 0 40 IHAB CC(=O)N1CCC[C@@]1(Cc1ccccc1-c1ccccc1)C(=O)NCC1CCN(C)CC1 2037834503 LSFOCTZONBMFJY-HHHXNRCGSA-N 433.596 3.735 0 40 IHAB COc1ccc(N(CC(=O)N2CCCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1OC 869480 CGQQSQZXSNCLHW-UHFFFAOYSA-N 446.569 3.610 0 40 IHAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3cccc(C(C)C)c3)cc2)no1 1916548 LYRPRLAWXZINCE-UHFFFAOYSA-N 429.498 3.925 0 40 IHAB Cc1occc1-c1nnc(SCC(=O)N2CC(=O)Nc3ccccc32)n1-c1ccccc1 3405989 GGJRSKLZULOVPE-UHFFFAOYSA-N 445.504 3.913 0 40 IHAB COc1ccc(C)cc1-n1nnnc1SCC(=O)NCc1ccc(Cl)cc1Cl 3491407 OWHPTUPSZPOTQQ-UHFFFAOYSA-N 438.340 3.695 0 40 IHAB CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccc(OC(F)F)cc3)n2N)cc1 3565289 AQUDVDMONLCBSL-GFCCVEGCSA-N 447.467 3.582 0 40 IHAB CCOc1ccc2[nH]c(=O)c(CN(CCOC)C(=O)Nc3cccc(OC)c3)cc2c1 4861312 OFQSFHKXBBIWTK-UHFFFAOYSA-N 425.485 3.616 0 40 IHAB CCOC(=O)c1cccc(NC(=O)N2CC[C@@H](CC(=O)NCCSC)[C@@H](CC)C2)c1 5414922 PGXIKUBLYKECDL-IRXDYDNUSA-N 435.590 3.613 0 40 IHAB biogenic,in-vitro COc1ccc(CCNC(=S)NC[C@H](c2ccc(OC)cc2)N2CCCCC2)cc1 7988158 MUTYCKJJTBVXNH-HSZRJFAPSA-N 427.614 3.938 0 40 IHAB COc1cc(OC)cc([C@H](NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c2nccn2C)c1 8707650 OSGCZHRVBCVOGC-NRFANRHFSA-N 443.569 3.803 0 40 IHAB O=C1[C@H]2OC[C@H](O2)[C@@H]2[C@H]1[C@H]1C=Cc3ccccc3N1[C@@H]2C(=O)C12CC3CC(CC(C3)C1)C2 8740373 XXTVWAHGGFLWMY-QWFFBVJESA-N 431.532 3.613 0 40 IHAB biogenic CCc1nnc2n1N[C@@H](c1ccc(OC)cc1)[C@@H](C(=O)Nc1cccc(Cl)c1)S2 9197205 SZOCQUQPMLFMIZ-ROUUACIJSA-N 429.933 3.900 0 40 IHAB C[C@@H]1Cc2cc(C(=O)COc3ccc(Cl)c4cccnc34)ccc2N1S(C)(=O)=O 9222733 KTBBIASLNSCUDS-CYBMUJFWSA-N 430.913 3.861 0 40 IHAB COc1ccccc1OCCOc1ccccc1/C=c1\sc2nc3ccccc3n2c1=O 9302121 UPPZLWBOQFIWRP-KQWNVCNZSA-N 444.512 3.923 0 40 IHAB CCn1c(COc2c(C)cccc2C)nnc1S[C@H](C)C(=O)Nc1nnc(C)s1 9304049 JVZCECHFBOLYMO-CYBMUJFWSA-N 432.575 3.773 0 40 IHAB CCn1c(=S)sc2c(=O)n(CC(=O)Nc3cccc(Br)c3)c(C)nc21 9410106 IQJDFMHZXMJOQP-UHFFFAOYSA-N 439.360 3.719 0 40 IHAB O=C(CN1CCN(c2ccccn2)CC1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 9865840 KMYVDUSOCXSNBU-OAQYLSRUSA-N 449.942 3.828 0 40 IHAB C[C@H]1Sc2ccc(C(=O)Nc3cccc(S(=O)(=O)N4CCCCC4)c3)cc2NC1=O 9953732 HXAUSMIVNIRADB-CQSZACIVSA-N 445.566 3.546 0 40 IHAB Cc1cc(C)c(C)c(SCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1C 10560776 JKXWFYAPPWWXDR-UHFFFAOYSA-N 448.610 3.672 0 40 IHAB Cc1cc(-c2cnc(N3CCOCC3)nc2[C@H]2CCCN(C(=O)C3CCCCC3)C2)on1 12184139 IGFCZMHIMCQOPD-IBGZPJMESA-N 439.560 3.563 0 40 IHAB COc1cc(C(=O)N2CCN(C[C@@H]3CCCO3)CC2)ccc1OCc1ccccc1Cl 12568902 ZQXJXPWQPUWSNI-FQEVSTJZSA-N 444.959 3.864 0 40 IHAB COc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccccc2Br)c(OC)c1 12758720 YWFAALMMMQLGEO-INIZCTEOSA-N 426.332 3.992 0 40 IHAB Cc1noc(C)c1S(=O)(=O)N(C)Cc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2 12876331 UWYISBOFYYLDCR-NRFANRHFSA-N 432.473 3.859 0 40 IHAB Cc1nn(C)c(C)c1NC(=O)C[C@H](NS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 12949293 DGFCRQOZDSZYJS-IBGZPJMESA-N 446.960 3.739 0 40 IHAB Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)N2CC(=O)Nc3ccccc32)cc1 13548815 VEMSPBGAMAIBAX-NRFANRHFSA-N 428.492 3.713 0 40 IHAB CSc1nc(SCC(=O)NC[C@@H]2CCCO2)c2c3c(sc2n1)COC(C)(C)C3 13776243 QJRSOCGBBSSHEC-NSHDSACASA-N 439.628 3.652 0 40 IHAB CCOc1ccc(S(=O)(=O)Nc2ccc(CC(=O)NCc3cccs3)cc2)cc1F 13850451 JFLIRDZIPAKOGW-UHFFFAOYSA-N 448.541 3.946 0 40 IHAB C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)Nc2cccc(C(F)(F)F)c2)C1=O 14157941 DNFNMHVMACPGLF-OAQYLSRUSA-N 431.414 3.600 0 40 IHAB Cc1ccc(NC(=O)C[C@@H]2C(=O)N[C@H]3CCCC[C@H]3N2C(=O)c2ccco2)cc1Cl 14165474 BGYZYPSRCPPAAE-RCCFBDPRSA-N 429.904 3.522 0 40 IHAB O=C(OCc1nc2ccccc2s1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 14248493 YPLXRSIWQSOQRI-CQSZACIVSA-N 434.514 3.580 0 40 IHAB NC(=O)COc1cccc([C@H]2CC(=O)Nc3c2sc(C(=O)O)c3-c2ccc(F)cc2)c1 15082355 DXYPUJLPGVUKES-OAHLLOKOSA-N 440.452 3.591 0 40 IHAB Cc1ccc(CNCc2ccc(OC[C@@H](O)c3ccc4c(c3)n(C)c(=O)n4C)cc2)cc1 16292418 RYBQCEZHIIKYGK-RUZDIDTESA-N 431.536 3.588 0 40 IHAB CCN(CC)CC(=O)N1CCC[C@@H]([C@@H]2C[C@H](C(F)F)n3nc(C(C)(C)C)cc3N2)C1 19526321 RWIPENMVMNPKEB-IXDOHACOSA-N 425.568 3.751 0 40 IHAB COc1cc(OC)c(C(=O)N2CCO[C@@H](c3cc4cc(F)ccc4cn3)C2)cc1OC 19594945 KWEPTEZIKVGDGR-JOCHJYFZSA-N 426.444 3.613 0 40 IHAB Cc1nc([C@H]2CCCN(C(=O)C3CCC3)C2)nc2c1CCC(=O)N2Cc1ccccc1F 19695817 JZFFRJRSUHIZAD-IBGZPJMESA-N 436.531 3.910 0 40 IHAB Cc1nc([C@H]2CCCCN2C(=O)Cn2cccn2)nc2c1CCCN2CCc1ccccc1 19706277 FTQDORVWWIJNPN-HSZRJFAPSA-N 444.583 3.731 0 40 IHAB CC(=O)c1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3)C2)c1 19860988 HSWOYSUIOZEBKO-GOSISDBHSA-N 434.945 3.723 0 40 IHAB CSc1cccc(NC(=O)COc2ccc(Cl)cc2S(=O)(=O)N2CCCC2)c1 19935364 DDLKVTGJLYAOAJ-UHFFFAOYSA-N 440.974 3.864 0 40 IHAB COc1ccc(NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1OC 20239608 PGOXQRNMNUVJHN-UHFFFAOYSA-N 440.521 3.922 0 40 IHAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3)cc2)n1 20457038 PBLUEQJSIBKQAN-CQSZACIVSA-N 446.916 3.645 0 40 IHAB COc1ccc([C@@H](CC(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)NC(C)=O)cc1 21495363 IVKIGMYPMRADKT-FOIQADDNSA-N 430.574 3.590 0 40 IHAB CS(=O)(=O)N(Cc1ccccc1)c1ccc(OCC(=O)Nc2cc(F)ccc2F)cc1 22231457 JHNBGSZSGUMLQO-UHFFFAOYSA-N 446.475 3.949 0 40 IHAB CCN(c1cc(OC)c(OC)cc1C(=O)N[C@H](C)c1ccc(Cl)cc1)S(C)(=O)=O 22252351 ARQYRZYPVDWRMW-CYBMUJFWSA-N 440.949 3.634 0 40 IHAB COc1cc(NC(=O)CN(c2c(C)cc(C)cc2C)S(C)(=O)=O)c(OC)cc1Cl 22399758 GDVIRPRUKCJHPV-UHFFFAOYSA-N 440.949 3.687 0 40 IHAB CC(C)(C)c1cc(NC(=O)c2ccc(C(F)(F)F)cc2)n([C@@H]2CCS(=O)(=O)C2)n1 22406753 FWXCOAKKOKZLKA-CQSZACIVSA-N 429.464 3.811 0 40 IHAB Cc1noc(C)c1COc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1 23881749 SVQNZSAIMXHUHV-UHFFFAOYSA-N 447.535 3.763 0 40 IHAB CN(C)S(=O)(=O)c1ccc2nc(NC(=O)c3cccc(Br)c3)sc2c1 23997119 NLNXWIXGQZPDSF-UHFFFAOYSA-N 440.344 3.561 0 40 IHAB CCOc1ccc([C@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 31714521 QQBBWCJLPRPZKK-SFHVURJKSA-N 430.570 3.505 0 40 IHAB CCCCNC(=O)CN1CCN(c2ncnc3cc(-c4ccc(F)cc4)sc23)CC1 32735914 BRPOSRPHVHQNFQ-UHFFFAOYSA-N 427.549 3.536 0 40 IHAB COc1ccc(OCC(=O)Nc2ccc(C)c(OCc3cc(=O)n4ccccc4n3)c2)cc1 33268546 QUBLEOPZIBWLNN-UHFFFAOYSA-N 445.475 3.608 0 40 IHAB Cc1ccc(-c2cc(C(=O)NCCC3=CCCCC3)nn2[C@H]2CCS(=O)(=O)C2)cc1 33325512 LRIUSJMBDAYZAB-FQEVSTJZSA-N 427.570 3.838 0 40 IHAB CC1(C)C[C@H]2C[C@](C)(CN2[C@H](C(=O)O)c2c[nH]c3ccc(NC(=O)CCC(=O)O)cc23)C1 36354293 STLBHMKQPRVJEE-WIRXAFICSA-N 441.528 3.998 0 40 IHAB COc1ccc(CCS(=O)(=O)NC[C@H](c2ccco2)N2CCc3ccccc3C2)cc1 38632739 NLSVWUPQSFHTMF-HSZRJFAPSA-N 440.565 3.550 0 40 IHAB Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccc(F)cc4)[nH]c(=O)c32)c(Cl)c1 40399771 APQBOVGWUWTMPO-CYBMUJFWSA-N 441.850 3.679 0 40 IHAB O=C(CCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)Nc1ccc(C(=O)O)cc1O 54360729 JICIMEADVXUCOD-SXGWCWSVSA-N 446.868 3.809 0 40 IHAB CCCCOc1cccc(C(=O)Nc2cc(C(=O)OC)ccc2N2CCN(C)CC2)c1 57312882 RBKOUUCNSRJCKM-UHFFFAOYSA-N 425.529 3.656 0 40 IHAB Cc1cccc(N(C)C(=O)Cn2c(=O)n(-c3cc(C)cc(C)c3)c(=O)c3sccc32)c1 57492310 DEZOAYVCWGKVKZ-UHFFFAOYSA-N 433.533 3.802 0 40 IHAB Cc1ccc(C)c(N2CCN([C@H](c3nnnn3Cc3ccc4c(c3)OCO4)C(C)C)CC2)c1 57671404 IZDFYKYACLKDNR-DEOSSOPVSA-N 448.571 3.586 0 40 IHAB CC(C)(C)c1ccc(OCCNC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 59471980 XYZYJWFLARLPGR-UHFFFAOYSA-N 438.977 3.599 0 40 IHAB COc1cccc(-c2nc(N3CCC(C(N)=O)CC3)c3oc(-c4ccccc4)nc3n2)c1 61997338 OOXPWKMFFKGICH-UHFFFAOYSA-N 429.480 3.662 0 40 IHAB COc1cccc(NC(=O)Cn2cc(-c3ccc(Cl)cc3)c(N3CCOCC3)n2)c1 62006941 UCJTXFIKFIVFOF-UHFFFAOYSA-N 426.904 3.687 0 40 IHAB COc1cc([C@@H](C)NC(=O)Nc2ccc(CCN3CCCCC3)cc2)ccc1OCCO 65586136 RYRVBDCDHASRPB-LJQANCHMSA-N 441.572 3.977 0 40 IHAB O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)Nc1ncccc1OCC1CCCCC1 72278481 NDWWEDJOCRWUTE-QRFRQXIXSA-N 432.590 3.705 0 40 IHAB Cc1ccc([C@@H](CNc2cc(-c3ccnc(N4CCOCC4)c3)nc(C)n2)N(C)C)cc1 72373250 LUULUBRAQFBKLG-HSZRJFAPSA-N 432.572 3.707 0 40 IHAB CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N1c2ccccc2C[C@@H]1C(=O)OC(C)(C)C 84752652 WPUYRKJZHUKYEA-XZOQPEGZSA-N 434.536 3.822 0 40 IHAB CCOC(=O)CCN(Cc1cccnc1)c1nc(C)nc2sc(C(=O)OCC)c(C)c12 84793441 ZTKSTTADHVWNCK-UHFFFAOYSA-N 442.541 3.840 0 40 IHAB CC[C@@](C)(COc1ncccc1Cl)NCC(=O)Nc1ccc(Br)cn1 89942112 PZFWQPDLBFVBNM-KRWDZBQOSA-N 427.730 3.668 0 40 IHAB CN(CC(=O)Nc1ccccc1Cl)C(=O)COc1cc(Cl)cnc1Br 95460182 SFMRVGBJOYYAQK-UHFFFAOYSA-N 447.116 3.627 0 40 IHAB CN(C)C1CCN(C(=O)c2c3c(NCc4ccccc4)ncnc3n3ccccc23)CC1 96146696 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COC(=O)CSc1nnc(NC(=O)/C(=C/c2ccc(OC)cc2)c2ccccc2)s1 225350177 AFWATXUWXAFDPU-SFQUDFHCSA-N 441.534 3.991 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc4sncc4c3)C2)c1 225920062 HWPIOKPZCLDKSJ-MRXNPFEDSA-N 429.567 3.953 0 40 IHAB CCN(CC(=O)N(C)c1cccc(OC)c1)S(=O)(=O)c1cc(Cl)ccc1Cl 226055212 SYWMOYNYHLPBEW-UHFFFAOYSA-N 431.341 3.676 0 40 IHAB CCC[C@]1(C(=O)OCC)N[C@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 245229553 ASKYGVKMRJNGRU-IFOBJOEFSA-N 434.536 3.856 0 40 IHAB CCCS(=O)(=O)N1CCC[C@@H]1c1nc(CCc2ccc(F)cc2)c(C(=O)O)s1 257221571 DPPZZGJMMPDAKU-MRXNPFEDSA-N 426.535 3.642 0 40 IHAB CC(=O)N1CCC(Cc2ccc(F)cc2)(C(=O)N2CCCC[C@H]2c2n[nH]cc2C)CC1 257260677 LDWKAFSDPWVFRS-NRFANRHFSA-N 426.536 3.782 0 40 IHAB COc1ccc(NC(=O)CN2[C@H](c3ccc(OC)cc3)C[C@]3(C)NC(=O)CCC[C@H]23)cc1 257326997 WZKLXXMUYBYEKN-HWBMXIPRSA-N 437.540 3.517 0 40 IHAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1OC 260793237 HNMKPLMODYOEAD-ORSJUXOSSA-N 426.538 3.841 0 40 IHAB CC(C)n1cnc([C@H]2CN(C(=O)c3cccs3)C[C@]23CCN(Cc2cccnc2)C3=O)c1 306127645 GEASPEKFKMEITK-NTKDMRAZSA-N 449.580 3.579 0 40 IHAB Cc1cccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)NCCc3ccccc3)CC2=O)c1 408614537 DKXWNQPYVPRYAD-OAQYLSRUSA-N 441.531 3.959 0 40 IHAB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1)Nc1cccc(Cl)c1 408653275 DXBJRDOTVSVSHD-RTBURBONSA-N 438.867 3.591 0 40 IHAB Cc1ccccc1/C=[N+]1\NC(=O)[C@@H](NC(=O)c2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1 409060331 PZJUTESUPJNIFR-GWLUTCJNSA-O 436.894 3.804 0 40 IHAB CCOc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 409061508 DTQUMWMTHSBCQE-GPENZSBISA-O 448.930 3.755 0 40 IHAB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(OC)c1OC 409153815 NFTPKBUPBZLKOA-WOJGMQOQSA-N 442.493 3.696 0 40 IHAB NC(=O)C1CCN(C(=S)c2cn(CCOc3ccc(F)cc3)c3ccccc23)CC1 409196541 PDSWXCXYSOMCJB-UHFFFAOYSA-N 425.529 3.732 0 40 IHAB CC(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2c[nH]c3ccccc23)CC1 559086231 MCDMPCHXBHZZEF-SFHVURJKSA-N 441.601 3.702 0 40 IHAB CN(CCN1CCCC1=O)C(=O)[C@@H](Oc1ccccc1Br)c1ccccc1 602825323 GCEXUSORTQEYEM-FQEVSTJZSA-N 431.330 3.650 0 40 IHAB O=C1C[C@]2(CCCN(Cc3ccc(N4CCCC4=O)cc3)CC2)Nc2ccccc2CN1 2037988892 MQTNYYSICPHUBX-AREMUKBSSA-N 432.568 3.670 0 40 IHAB CC1=C(C(N)=O)[C@H](c2cccc(Br)c2)N2NC(c3ccc(Cl)cc3)=NC2=N1 940662 ZPXZLCVJVWETSE-INIZCTEOSA-N 444.720 3.540 0 40 IHAB CCOC(=O)CSc1nnc2c3c4c(sc3nc(SC)n12)CO[C@@H](C(C)C)C4 1774121 IZYCRXXURZCZHP-LLVKDONJSA-N 438.600 3.813 0 40 IHAB C[C@H](OC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3)C(=O)N1CCCc2ccccc21 2628263 LOKZJEJSKKIRKU-KRWDZBQOSA-N 445.519 3.648 0 40 IHAB O=C(CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O)NCCC1=CCCCC1 3502844 FACMMLHNFXAJFJ-AREMUKBSSA-N 431.536 3.683 0 40 IHAB C[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)N3CC(=O)Nc4ccccc43)c2C1 3536610 KAVPQKCHIGOVLB-OAHLLOKOSA-N 429.476 3.502 0 40 IHAB CCc1ccc([C@@H]2[C@@H](C(=O)OCC(C)C)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OCC(C)C)cc1 4615378 FORVXNHYHDOKPJ-HXKBJWFLSA-N 432.557 3.687 0 40 IHAB COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)cc1OC 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COC(=O)c1ccc(COC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2C)C3=O)cc1 9584498 DNPLPLRTRGXGRQ-UHFFFAOYSA-N 429.428 3.939 0 40 IHAB O=C(/C=C/c1ccc(S(=O)(=O)NCc2ccco2)cc1)NC12CC3CC(CC(C3)C1)C2 9597111 SRYVENLKBAPWJN-VMPITWQZSA-N 440.565 3.856 0 40 IHAB COc1cccc(NC(=O)Cc2csc(NC(=O)c3ccc(OC)c(OC)c3)n2)c1 9659177 MNUKMXABHFQOSE-UHFFFAOYSA-N 427.482 3.602 0 40 IHAB CC(C)CNC(=S)N(Cc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 9704182 APQVWSILEFSBQM-UHFFFAOYSA-N 437.565 3.832 0 40 IHAB O=C([C@@H](Sc1ccc(S(=O)(=O)N2CCCCC2)cn1)c1ccccc1)N1CCCC1 10037747 OWQWOPKIQIRBIQ-NRFANRHFSA-N 445.610 3.712 0 40 IHAB COc1ccc(C)cc1NC(=O)CNC(=O)COC(=O)c1sccc1-c1ccccc1 10986858 WWKZLQSPFMMLTR-UHFFFAOYSA-N 438.505 3.644 0 40 IHAB CN(C)CCN(C(=O)COc1ccc(Cl)cc1)c1nc2cc3c(cc2s1)OCCO3 12140823 SAGKCSNYEBQCKE-UHFFFAOYSA-N 447.944 3.695 0 40 IHAB COc1ccc(OCC(=O)NCc2ccc(-c3ncncc3-c3cc(C)no3)cc2)cc1 12158907 YVNVAPDXDHHIOD-UHFFFAOYSA-N 430.464 3.811 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc(C(=O)NC4CC4)c3)c2)cc1 12532617 ANFOQSZGNNXAIV-UHFFFAOYSA-N 449.532 3.940 0 40 IHAB O=C(CN1CCC(c2nc3ccccc3s2)CC1)N[C@@H]1CCN(Cc2ccccc2)C1 12732425 IPBJKKAZFNSJNP-OAQYLSRUSA-N 434.609 3.866 0 40 IHAB CC(C)Sc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 12865271 RUQOKCUCRXBOCR-KRWDZBQOSA-N 434.583 3.897 0 40 IHAB CC[C@@H](C)c1ccc(-c2csc(NC(=O)c3cnc4c(c3)c(=O)n(C)c(=O)n4C)n2)cc1 12934072 BJQCOBLVIOOSFM-CYBMUJFWSA-N 449.536 3.522 0 40 IHAB CC1=C2C(=NC(=O)[C@H](NC(=O)c3ccccc3)[C@H]2c2cccc(F)c2)N(c2ccccc2)N1 13038467 BIJDFFJLLUNDSO-XZOQPEGZSA-N 440.478 3.945 0 40 IHAB COCC(=O)Nc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C[C@@H](c1ccc(OC)cc1)N2 13127242 IVTWYJRMCCRDBE-ROUUACIJSA-N 427.892 3.671 0 40 IHAB NC(=O)c1cc2cc(F)ccc2nc1C1CCN(C(=O)[C@H](O)c2ccc(Cl)cc2)CC1 13265950 GNNACFPZUVUOOF-OAQYLSRUSA-N 441.890 3.566 0 40 IHAB CCC(C)(C)n1nnnc1[C@@H](c1ccccc1OC)N1CCN(c2ccccc2F)CC1 13504154 YSNABZCZBYEYRU-JOCHJYFZSA-N 438.551 3.878 0 40 IHAB COc1ccc2[nH]cc([C@H]3C(NC(=O)c4ccc(Cl)cc4)=C(C)N=C4NC=NN43)c2c1 13570633 LJGGGOAAYAGOSO-FQEVSTJZSA-N 434.887 3.751 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cccc(Br)c2)ccc1OC 13581376 HTEHJLYLBPUNGS-UHFFFAOYSA-N 441.347 3.741 0 40 IHAB COc1ccc(-c2c(C)nn3c(C)c(C(=O)Nc4cc(OC)ccc4OC)nnc23)cc1 13635851 KGSUSMDCCYSBER-UHFFFAOYSA-N 433.468 3.686 0 40 IHAB COc1ccc(OC)c(N(CC(=O)N(C)c2ccccc2)S(=O)(=O)c2ccccc2)c1 13676041 DWTODHAGWVRMNO-UHFFFAOYSA-N 440.521 3.562 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN(C)Cc1cnn(Cc2ccccc2)c1 14021417 JJJRFALJESUUSK-UHFFFAOYSA-N 428.540 3.804 0 40 IHAB O=c1c2c3c(sc2ncn1C[C@@H](O)COc1cccc(Br)c1)CCCC3 14185087 AMVPSFNADFNPAB-CYBMUJFWSA-N 435.343 3.539 0 40 IHAB C[C@H]1CCc2sc(-c3nn(CN4CCN(c5cnccn5)CC4)c(=S)o3)cc2C1 14250407 AWXQYXZZHXHYSQ-AWEZNQCLSA-N 428.587 3.629 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCc2ccccc2)c2ccc(F)cc2)cc1 15229998 SDWFMGGNISRMBE-UHFFFAOYSA-N 426.513 3.688 0 40 IHAB O=C1C[C@H](c2nc3ccccc3n2C[C@H](O)COc2ccccc2)CN1c1ccccc1 16902948 RDJRWEXZNAMDGE-FPOVZHCZSA-N 427.504 3.997 0 40 IHAB COc1cc(CNC(=O)[C@@H]2CN(C(C)=O)c3ccccc3O2)ccc1OCc1ccccc1 18161065 ODMBDMORWHXTDO-VWLOTQADSA-N 446.503 3.705 0 40 IHAB Cc1ccc(Br)cc1S(=O)(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 18707797 WNHVMUFOUFBSDZ-UHFFFAOYSA-N 440.287 3.555 0 40 IHAB O=C(Cc1ccccc1F)N[C@H](Cc1cc(=O)[nH]c(-c2cccnc2)n1)c1ccccc1 19369437 OQWNOSWVJIQCPO-JOCHJYFZSA-N 428.467 3.614 0 40 IHAB O=C(CCCc1ccncc1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(C1CCCC1)C2 19405098 UUOYGAFCMSGYQL-HSZRJFAPSA-N 449.599 3.542 0 40 IHAB COc1ccc(CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)c2cc(=O)[nH]c(C)n2)cc1C 19571218 FTABJIGKMZLIDW-NRFANRHFSA-N 430.508 3.519 0 40 IHAB CCCOC1CCN(C(=O)[C@@]2(Cc3cc(-c4ccccc4)no3)CCN(C(C)=O)C2)CC1 19703507 PARWCCCSBOTJMB-RUZDIDTESA-N 439.556 3.540 0 40 IHAB CNc1cc([C@H]2CCCNC2)nc(CN(C)CC(=O)Nc2ccccc2-c2ccccc2)n1 19709950 VFHCDQWOBRBIOO-FQEVSTJZSA-N 444.583 3.723 0 40 IHAB CNc1cc(CN(C)C)nc(C2CCN(C(=O)CCCc3c[nH]c4ccccc34)CC2)n1 19710152 HXKIDFGZMXCDFM-UHFFFAOYSA-N 434.588 3.790 0 40 IHAB CCOc1ccccc1NC(=O)C1=C(C)c2cc(OC)c(OC)cc2N(CC)S1(=O)=O 20064041 BXYKDVSEBYYCCN-UHFFFAOYSA-N 446.525 3.642 0 40 IHAB Cc1cc(OCC(=O)NCc2ccc(-c3nn4c(C)nnc4s3)cc2)ccc1Cl 20352453 PYEMCMNDLXRIBH-UHFFFAOYSA-N 427.917 3.818 0 40 IHAB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cccc(C)c2)cc1 22271308 FGETUMRCAWYBGG-QHCPKHFHSA-N 438.549 3.922 0 40 IHAB COc1ccc(OC)c(NC(=O)[C@H](C)N2CCN(Cc3ccc(C(C)C)cc3)CC2)c1 22919508 AQGLHIAHICDSMZ-IBGZPJMESA-N 425.573 3.972 0 40 IHAB C[C@H](NC(=O)[C@H](C)N1CCN(Cc2ccc(Br)s2)CC1)c1ccccc1 22930677 HODJKOCWVNLJJR-HOTGVXAUSA-N 436.419 3.894 0 40 IHAB O=C(c1ccccc1SC[C@@H]1CCCO1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 23995169 ZJGNDSPCTJMHEM-NRFANRHFSA-N 438.593 3.851 0 40 IHAB CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)N(Cc3ccccc3)C3CC3)cc(C(C)C)nc21 24472862 VLVWVWCEJRFJEJ-UHFFFAOYSA-N 434.540 3.669 0 40 IHAB COc1ccc([C@H]2CCCN2C(=O)CCCn2cnc3c(C)cccc3c2=O)c(OC)c1 29067802 UUEKTBSFZSQXHE-OAQYLSRUSA-N 435.524 3.866 0 40 IHAB CC[C@H](NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCCC2)c1)c1ccc(OC)cc1 30854650 LAHAXEGJQKDWJR-NRFANRHFSA-N 446.569 3.760 0 40 IHAB Cc1cccc([C@@H](CC(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2Cl)NC(N)=O)c1 32796549 KDKJWIOCOXCRQA-UXHICEINSA-N 445.947 3.947 0 40 IHAB O=C(/C=C/c1ccc(SC(F)(F)F)cc1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 32903385 LKOINNLJTUQJLN-TWZSPHTKSA-N 449.516 3.506 0 40 IHAB Cc1ccc(C)c(N2CCN([C@@H](c3ccc(F)cc3)c3nnnn3Cc3ccco3)CC2)c1 35313896 QBVYKPPABFDPSD-DEOSSOPVSA-N 446.530 3.982 0 40 IHAB CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)Nc1sccc1C(=O)NCc1ccco1)[C@H]2C(=O)O 35897910 IEZTXZCSFNOOQM-JFTQMJAMSA-N 428.510 3.903 0 40 IHAB O=C(NCc1cccnc1OC1CCCC1)c1cccc(CN2C(=O)CSC2=O)c1 40089419 OLQLRFYGWNMOAG-UHFFFAOYSA-N 425.510 3.528 0 40 IHAB CC(=O)Nc1cccc2c1CCCN2C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 48263421 LYECYNWZHDVIOD-OUKQBFOZSA-N 431.536 3.876 0 40 IHAB COc1cccc(CN(c2cccc(F)c2)S(=O)(=O)c2ccc3nnc(C)n3c2)c1 49408472 JLFOOABPWXOJDG-UHFFFAOYSA-N 426.473 3.581 0 40 IHAB COCCCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3ccccc3C)c2c1=O 65113512 NNQVRJNBGWJLPB-UHFFFAOYSA-N 430.508 3.849 0 40 IHAB Cc1nc(-c2ccc(NC(=O)NCc3ccc(N4CCCCCC4)nc3)cc2)cc(=O)[nH]1 69741202 IWJPNFONKACQEC-UHFFFAOYSA-N 432.528 3.842 0 40 IHAB CCOc1cccc(CNC(=O)c2cn(-c3ccc(-c4nc(C(C)C)no4)cn3)cn2)c1 71768316 KZUUCLYRQVLLPF-UHFFFAOYSA-N 432.484 3.769 0 40 IHAB C[C@H]1[C@@H](C(F)(F)F)OC(=O)N1c1ncccc1NC(=O)c1ccn(-c2ccc(F)cc2)n1 84678317 UGVTWHMTDWFFFF-ZBEGNZNMSA-N 449.364 3.935 0 40 IHAB COc1cccc([C@H](O)CN(Cc2ccccc2)S(=O)(=O)c2cc(F)ccc2F)c1 95462026 FPXQWGCPNKRUIX-OAQYLSRUSA-N 433.476 3.898 0 40 IHAB COc1ccc(C(=O)N(C)Cc2nc(-c3cccc(Br)c3)no2)cc1OC 96234422 WLXUTRGWXPOHIQ-UHFFFAOYSA-N 432.274 3.789 0 40 IHAB Cc1cc(-c2cnc(C(C)C)nc2[C@H]2CC[C@H](CNC(=O)CN3CCCC3=O)CC2)on1 100743833 ZZKGBPUZBIDQKM-HDICACEKSA-N 439.560 3.576 0 40 IHAB Cc1cccc(CNC(=O)CCCN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1 113961503 XOHDZPLFRBQPKH-UHFFFAOYSA-N 428.476 3.876 0 40 IHAB COc1cccc(N(CCCC(=O)NCc2cccc3ccccc23)S(C)(=O)=O)c1 222886928 AJBFIQRCDOMOHM-UHFFFAOYSA-N 426.538 3.711 0 40 IHAB CCC1(CC)C[C@H](NC(=O)CN(Cc2ccccc2F)S(C)(=O)=O)c2ccccc2O1 223177098 CHEWZHKTPAVARG-FQEVSTJZSA-N 448.560 3.786 0 40 IHAB CC(C)CNS(=O)(=O)Cc1cccc(NC(=O)CCn2ncc3c(Cl)cccc32)c1 223232629 ZVZZGFPQJUXLMU-UHFFFAOYSA-N 448.976 3.794 0 40 IHAB COc1ccc(N(CC(=O)NCC2CCCCC2)S(=O)(=O)c2ccccc2)cc1OC 223499066 WGHPMJUOPSHJKS-UHFFFAOYSA-N 446.569 3.596 0 40 IHAB C[C@H](CNC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1)c1ccccc1 223995456 KLWLXBPJYCZCTP-JPYJTQIMSA-N 436.533 3.563 0 40 IHAB COc1ccc(OC)c(CNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(C)c2)c1 224087961 LYUGDTUZXFLETA-UHFFFAOYSA-N 440.521 3.743 0 40 IHAB CCOC(=O)CN(c1cc(C(=O)OC)ccc1C)S(=O)(=O)c1ccc2ccccc2c1 225057983 YPGJVLYNTYWJOV-UHFFFAOYSA-N 441.505 3.693 0 40 IHAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(F)cc1)C(=O)COc1ccc(OC)cc1 225642524 DRAWMHNXSRTYLE-VGSWGCGISA-N 430.520 3.935 0 40 IHAB CC1(C)[C@]2(C)CC[C@@]1(C(=O)N1CCC[C@@H](c3cc(C(F)F)n4ncnc4n3)C1)CC2=O 257366812 YSMOEXDWFWICAS-DZKUTHLPSA-N 431.487 3.553 0 40 IHAB Fc1cccc(CN2CCN(CC3CC3)[C@H](c3cn4c(N5CCOCC5)cccc4n3)C2)c1 306132233 LCJBDDJSNSBFQB-DEOSSOPVSA-N 449.574 3.579 0 40 IHAB Cc1cc(NC(=O)COC(=O)CCC(=O)Nc2ccccc2)cc(C)c1Br 408666207 XLHYSEOSYGOCMQ-UHFFFAOYSA-N 433.302 3.967 0 40 IHAB Cc1ccccc1CN(CC(=O)NCc1ccncc1)S(=O)(=O)c1ccc(Cl)cc1 409064564 PXPOYCRVMSAVBM-UHFFFAOYSA-N 443.956 3.551 0 40 IHAB Cc1ccc(C(=O)N[C@@H](c2nnc(SCC(=O)NC3CCCCC3)n2C)C(C)C)cc1 409155310 QTEHBMUFUBMFCH-HXUWFJFHSA-N 443.617 3.792 0 40 IHAB CCn1c(CNC(=O)Cc2ccccc2)nnc1SCC(=O)Nc1c(C)cccc1C 409169840 RGLCYKFHJFSRRR-UHFFFAOYSA-N 437.569 3.505 0 40 IHAB COc1cc(C(=S)N2CCOCC2)ccc1OCC(=O)Nc1cccc(Cl)c1C 409239581 HJRLCWRSYVETLP-UHFFFAOYSA-N 434.945 3.682 0 40 IHAB Cc1nn(C)c(C)c1C(=O)NC1(C(=O)Nc2ccc(Oc3ccncc3)cc2)CCCC1 530906807 AQRMAONNTDTORK-UHFFFAOYSA-N 433.512 3.906 0 40 IHAB O=C(N[C@@H](c1ccccn1)[C@H]1CN(Cc2ccc(F)c(F)c2)CCO1)c1cccc(F)c1 2037834596 TZTWLZVWKYJAOC-PKTZIBPZSA-N 441.453 3.871 0 40 IHAB COc1ccc2cc(CN(Cc3nnnn3C3CCCCC3)C3CCCC3)c(=O)[nH]c2c1 927567 GICAJNLDJHUHQC-UHFFFAOYSA-N 436.560 3.973 0 40 IHAB CCCCCNC(=O)CN1CC[C@]2(O)CCCC[C@@H]2[C@H]1c1cc(OC)c(OC)c(OC)c1 2104388 JDZOWKQXEHPTLN-RZPHLTDDSA-N 448.604 3.687 0 40 IHAB CCOc1cccc(-c2nnc(SCC(=O)Nc3cccc(Br)c3)n2N)c1 2393743 IGVXHOJUNKCGSG-UHFFFAOYSA-N 448.346 3.551 0 40 IHAB CCOC(=O)c1c(NC(=S)NC(=O)c2ccc3c(c2)OCO3)sc2c1CCCC2 2674882 KFLXUKVWTMHYAQ-UHFFFAOYSA-N 432.523 3.659 0 40 IHAB COC(=O)[C@@](O)(c1ccc(NC(=O)Nc2cccc(Cl)c2)c(OC)c1)C(F)(F)F 3103543 SZJVYFYSRSYWNT-KRWDZBQOSA-N 432.782 3.916 0 40 IHAB Cc1cc(C)n2nc(S[C@@H]3CCCCN(C(=O)c4ccc(Cl)cc4)C3=O)nc2n1 8621874 KXGHOLBIDABRMC-MRXNPFEDSA-N 429.933 3.708 0 40 IHAB CCC(C)(C)NC(=O)[C@H](c1ccc(C)cc1)N(Cc1cccnc1)C(=O)c1csnn1 8678375 BYZFITDISXRFAJ-FQEVSTJZSA-N 437.569 3.930 0 40 IHAB O=C1N=C(O)[C@@]2(Cc3cc(C(F)(F)F)ccc3N3CCOC[C@@H]32)C(=O)N1c1ccccc1 8695455 ZPPJXXSXZFDYCE-UTKZUKDTSA-N 445.397 3.576 0 40 IHAB COc1cc(NC(=O)NC[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc(OC)c1OC 9040237 RMJXJNUNMVEVDA-CYBMUJFWSA-N 433.892 3.540 0 40 IHAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)N(CCc3cccs3)Cc3cccs3)ccc21 9049079 ZDKXDMBSIVBGHE-UHFFFAOYSA-N 439.562 3.718 0 40 IHAB O=C(COC(=O)c1ccc2c(c1)OCCO2)Nc1nc(-c2ccc(F)c(F)c2)cs1 9255091 TWTDEFSJHDXOGH-UHFFFAOYSA-N 432.404 3.655 0 40 IHAB COc1ccc(Cl)c2sc(N(CCN(C)C)C(=O)[C@@H]3COc4ccccc4O3)nc12 9452422 XFIFGZBABGZVMD-KRWDZBQOSA-N 447.944 3.693 0 40 IHAB COc1ccc(Cl)cc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 9525976 RFOCCUDFMSFECE-LBPRGKRZSA-N 437.279 3.537 0 40 IHAB O=C(Nc1cccc(N2CCCC2=O)c1)c1nn(Cc2ccccc2)c(=O)c2ccccc12 9549710 WKKHXFZACMMTFW-UHFFFAOYSA-N 438.487 3.824 0 40 IHAB Cc1ccc(C)c(C(=O)Cn2c(=O)c3c(ncn3CC(C)C)n(Cc3ccccc3)c2=O)c1 9671142 MCLIKPCDODJVLX-UHFFFAOYSA-N 444.535 3.564 0 40 IHAB COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)Cc1cn2ccsc2n1 9731665 LOOZOLSCCRCFIX-UHFFFAOYSA-N 436.493 3.847 0 40 IHAB COc1ccc(N2C[C@H](C(=O)N[C@@H](C)c3cccc(C(F)(F)F)c3)CC2=O)c(OC)c1 9885474 DSDPXVDQLAXLPP-DZGCQCFKSA-N 436.430 3.953 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Br)cc2F)cc1 9987303 BBNPSZHGQHYVOI-UHFFFAOYSA-N 429.311 3.871 0 40 IHAB COc1cc(OC)c(NC(=O)COC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1Cl 10253630 ZYKSRFMKTONZRX-SOFGYWHQSA-N 435.860 3.570 0 40 IHAB COc1ccc(-c2ccc(N3CCN(C(=O)c4ccc(C)c(C)c4)CC3)nn2)cc1OC 11695279 HEHDFTRMPJNWOY-UHFFFAOYSA-N 432.524 3.740 0 40 IHAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c1 11917555 UANLJKMFYPOPTH-UHFFFAOYSA-N 436.917 3.884 0 40 IHAB COCC(=O)N1CCC[C@@H](c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2cccs2)N3)C1 12183507 DUALCLKDPBRVLY-IVMMDQJWSA-N 428.480 3.957 0 40 IHAB O=C(c1cccc(F)c1)N1C[C@H]2CCCN(S(=O)(=O)c3ccc4ccccc4c3)[C@H]2C1 12188174 BILAENPCICWLHP-OFNKIYASSA-N 438.524 3.904 0 40 IHAB Cc1cccc(C)c1OC[C@@H](O)Cn1c(CC(=O)NCc2ccccc2)nc2ccccc21 12535465 NLLIYCOPPYZEHP-QFIPXVFZSA-N 443.547 3.952 0 40 IHAB C[C@@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)Nc2ccccc2Cl)C1=O 12549243 VCBFOZWRXZLOFG-SFHVURJKSA-N 436.693 3.508 0 40 IHAB C[C@@H](OC(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N(C)c1ccccc1 12805106 ITOZWMHTUPXCSA-LCABBPNISA-N 438.568 3.789 0 40 IHAB CCOC(=O)c1sc(NC(=O)/C=C/c2ccc(C(=O)NC)cc2)nc1-c1ccccc1 12923202 XITDIHDUOGZDAL-SDNWHVSQSA-N 435.505 3.998 0 40 IHAB C[C@@H]1CCCC[C@@H]1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br 12928797 RHKKPHKSXAXHQV-DYVFJYSZSA-N 429.380 3.542 0 40 IHAB CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CC=C(c2ccccc2)CC1 13003000 MNKNBDBGPIFRHR-QFIPXVFZSA-N 444.622 3.711 0 40 IHAB CC(=O)c1ccc(N(CC(=O)N2CCCC[C@@H]2C)S(=O)(=O)c2ccc(C)cc2)cc1 13130839 VGNOUAJGKVLCFW-SFHVURJKSA-N 428.554 3.794 0 40 IHAB CCOC(=O)c1sc2nc([C@H](C)N(C)Cc3ccc(OC)c(OC)c3)[nH]c(=O)c2c1C 13135104 UPLOBIUQPUAMAF-ZDUSSCGKSA-N 445.541 3.680 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)N2CCc3ccccc32)c2ccc(F)cc2)cc1 13647104 AQOLIWUCCKZXEM-UHFFFAOYSA-N 440.496 3.619 0 40 IHAB O=C(N[C@@H](CC(=O)N1CCN(c2ccccn2)CC1)c1ccccc1)c1ccccc1Cl 14136604 PSEHJHKXTIFDJH-QFIPXVFZSA-N 448.954 3.945 0 40 IHAB O=C(Nc1ccccc1)c1sccc1S(=O)(=O)N1CCN(c2ccccc2F)CC1 16844259 NODZFSWUIZDOSK-UHFFFAOYSA-N 445.541 3.650 0 40 IHAB Cc1nc(S[C@@H](C)C(=O)N2c3ccccc3NC(=O)C2(C)C)n(C[C@@H]2CCCO2)c1C 18596566 PYLCSIFIFKWVBA-IRXDYDNUSA-N 442.585 3.923 0 40 IHAB Cn1nc(C(C)(C)C)cc1C(=O)N1CCNC(=O)[C@@H](Cc2ccccc2-c2ccccc2)C1 19083772 YGKSVVRNJLSLAD-NRFANRHFSA-N 444.579 3.816 0 40 IHAB CCc1ncc(CN2CC[C@](Cc3ccc(-c4ccncc4)cc3)(C(=O)N(C)C)C2)cn1 19523321 ZAMVTTNQZBQIEA-AREMUKBSSA-N 429.568 3.624 0 40 IHAB Cc1cc(C(F)(F)F)c2c([C@H]3CCCN(C(=O)CCCN4CCCC4=O)C3)noc2n1 19568622 JVNOIIGIMNAKNB-AWEZNQCLSA-N 438.450 3.659 0 40 IHAB COc1cccc(C(=O)N2CC[C@@](Cc3ccccc3-c3cccnc3)(C(=O)N(C)C)C2)c1 19580140 BGGNEJKZVIZZCK-MHZLTWQESA-N 443.547 3.920 0 40 IHAB COc1cccc(OC)c1C(=O)N1CCC[C@H](c2cc(N(C)C)nc(-c3cccnc3)n2)C1 19584386 KATAAQBFRJRORU-SFHVURJKSA-N 447.539 3.642 0 40 IHAB CNC(=O)[C@@]1(Cc2cccc(-c3cccs3)c2)CCCN(C(=O)Cc2ccccn2)C1 19591140 IXNINDRWMVAOCW-RUZDIDTESA-N 433.577 3.950 0 40 IHAB Cc1cc(Cc2c(F)cccc2F)cc(C2CCN(C(=O)Cn3nc(C)nc3C)CC2)n1 19691824 LDLYCDNPQQLZFT-UHFFFAOYSA-N 439.510 3.874 0 40 IHAB COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2CN(C(=O)CCc3ccccc3)CCO2)cc1 19694938 QEJQNSKNFNPTHE-QHCPKHFHSA-N 446.551 3.751 0 40 IHAB NC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2ccc3c(c2)OCCO3)CC1 19700443 WPFLOUJCKGQVGT-UHFFFAOYSA-N 443.547 3.830 0 40 IHAB COc1ccc(OCc2sc([C@]3(O)CCCN(C(=O)C(C)(C)OC)CC3)nc2C)cc1 19705379 QOTHLPMKNCXMAJ-QHCPKHFHSA-N 448.585 3.664 0 40 IHAB Cc1nc([C@H]2CCCCN2C(=O)Cn2nc(C)c(C)c2C)ncc1C(=O)Nc1ccccc1 19755373 UMDMWYCPGDOCSA-JOCHJYFZSA-N 446.555 3.913 0 40 IHAB Cc1ncc(C(=O)NC2CCCCC2)c([C@@H]2CCCN2CC(=O)Nc2ccc(F)cc2)n1 19766725 IUZRAGWMWMGFKR-NRFANRHFSA-N 439.535 3.762 0 40 IHAB CCOc1ccc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3ccc(C)cc3)CC2)cc1 20107485 LYERSPNXVCFYNU-LJQANCHMSA-N 444.597 3.813 0 40 IHAB O=C(N[C@@H](CN1CCOCC1)c1ccccc1)c1ccc(-n2cnc3ccccc32)cc1 22202964 IBVAORZXMUGZBM-DEOSSOPVSA-N 426.520 3.829 0 40 IHAB O=C(Nc1ccc(CNc2ccc(S(=O)(=O)N3CCCCC3)cn2)cc1)c1ccco1 22978040 VKBAVCWZBGSZJC-UHFFFAOYSA-N 440.525 3.714 0 40 IHAB COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(OC(=O)c2cccs2)cc1 26963199 XHNFPZVCDSPOCG-UHFFFAOYSA-N 427.478 3.548 0 40 IHAB CS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)ccc1Cl 28330969 HPWRMHJNLFTRLJ-QGZVFWFLSA-N 435.929 3.882 0 40 IHAB Cc1ccc(CCCNC(=O)C2CCN(S(=O)(=O)Cc3ccc(C)cc3)CC2)cc1 30866840 SXOMJUPSKSEQHD-UHFFFAOYSA-N 428.598 3.594 0 40 IHAB CCOC(=O)c1cccc(NC(=O)C2CCN(Cc3nc(-c4ccccc4)no3)CC2)c1 30955598 IABIMQXWTCCXKO-UHFFFAOYSA-N 434.496 3.764 0 40 IHAB O=S1(=O)C[C@@H]2N=C(SCc3ccc(Br)cc3)N(c3ccccc3)[C@H]2C1 32640838 GSUFPEYLZUGORW-IRXDYDNUSA-N 437.384 3.724 0 40 IHAB C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCCC(=O)Nc1cccc2cccnc12 40073681 NVKJYXBOJUINIU-RUZDIDTESA-N 428.492 3.953 0 40 IHAB COc1ccc(NC(=O)Cn2nc(-c3ccc(Br)cc3)ccc2=O)cc1Cl 57427381 IKKMGJCKGQTGNY-UHFFFAOYSA-N 448.704 3.974 0 40 IHAB O=C(Cn1cccc1-c1nc(-c2ccc(F)cc2)no1)N1CCN(c2ccc(F)cc2)CC1 57486629 CJRAEQOPNYAXNC-UHFFFAOYSA-N 449.461 3.832 0 40 IHAB O=C(NCc1cccc(N2CCOC2=O)c1)c1cnn(-c2ccc(Br)cc2)c1 58406714 RODUFMBJBPDKOG-UHFFFAOYSA-N 441.285 3.521 0 40 IHAB CC(C)CCc1nc(CS(=O)(=O)[C@H](C)C(=O)N[C@@H]2CCOc3ccccc32)cs1 60104118 HSFWLAODUAAHDC-CRAIPNDOSA-N 436.599 3.675 0 40 IHAB CCN1CCc2nc(-c3ccccc3)n(CC(=O)Nc3ccc(Cl)cc3F)c(=O)c2C1 62007142 APGZKBIDFYGNTE-UHFFFAOYSA-N 440.906 3.720 0 40 IHAB CN(C)C(=O)[C@@H]1CCCN(C(=O)c2cccnc2Oc2cccc(Br)c2)C1 63684953 PLXJMMOGCXMZMU-CQSZACIVSA-N 432.318 3.577 0 40 IHAB CCNC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)c2ccn(CC)n2)C1 72390575 WCLAXBLTHKEFRT-SANMLTNESA-N 430.552 3.781 0 40 IHAB CC1(C)[C@]2(C)CC[C@@]1(C(=O)N1CCC[C@H](c3cc(C(F)F)n4ncnc4n3)C1)CC2=O 72395340 YSMOEXDWFWICAS-QYDGOFIISA-N 431.487 3.553 0 40 IHAB CN(c1ccc(OC(=O)c2ccc3c(c2)OCCO3)cc1)S(=O)(=O)c1ccccc1 89365275 PYUZFUXLEJZXPT-UHFFFAOYSA-N 425.462 3.502 0 40 IHAB CCn1nc(C)c(-c2cc(C(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)n[nH]2)c1C 95476710 KULUWKRQMDCKOO-UHFFFAOYSA-N 427.936 3.687 0 40 IHAB COc1ccc(/C=C/C(=O)NCc2nc(-c3cccc(Br)c3)no2)cc1OC 95482209 XNKWFOVAXKYGOS-VQHVLOKHSA-N 444.285 3.846 0 40 IHAB O=C(CCc1ccc(Cl)c(C(F)(F)F)c1)N1CC(S(=O)(=O)Cc2ccco2)C1 96122084 KYOIFJAFUAEMIS-UHFFFAOYSA-N 435.851 3.710 0 40 IHAB COCCNC(=O)CNC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(Cl)cc1)CC2 104582689 QNUTYSIXFDKMRR-VKAVYKQESA-N 449.938 3.867 0 40 IHAB COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2C)cc1OC 113942001 LIJYSJCUICGINZ-UHFFFAOYSA-N 432.542 3.829 0 40 IHAB O=C1N[C@@H](c2ccc(C(F)(F)F)cc2)[C@@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1 169688940 UIUBIZQIHWQRLB-HUBLWGQQSA-N 438.349 3.871 0 40 IHAB CCOc1ccc(CCCNC(=O)[C@@H](CC)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 219114818 HGRACUUYCVAGAA-OAQYLSRUSA-N 436.549 3.518 0 40 IHAB Cc1ccc(N([C@@H](C)C(=O)NCCSCc2ccccc2)S(C)(=O)=O)cc1Cl 220357206 YFIOEVHTJCNJDN-INIZCTEOSA-N 441.018 3.853 0 40 IHAB CC[C@H](C(=O)NCc1cccc2ccccc12)N(c1ccc(OC)cc1)S(C)(=O)=O 222884773 DMTUEUDSDLPRIQ-JOCHJYFZSA-N 426.538 3.709 0 40 IHAB COc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1 223065462 PWJZKEYTBASKFR-NVXWUHKLSA-N 436.961 3.627 0 40 IHAB COc1cc(CNS(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)ccc1OC(C)C 223179054 XXEPHQUTKUGSDB-UHFFFAOYSA-N 438.571 3.641 0 40 IHAB Cc1ccc(-c2nnc(NC(=O)CN(c3ccc(Cl)cc3)S(C)(=O)=O)s2)cc1 223621178 QGTWUHPWYBXAHX-UHFFFAOYSA-N 436.946 3.572 0 40 IHAB CCc1ccc(OCCNC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1 223746118 FMJBSNKRWLXVPV-UHFFFAOYSA-N 438.549 3.883 0 40 IHAB Cc1ccc(CN(CC(=O)Nc2ccccc2C(=O)c2ccccc2)S(C)(=O)=O)cc1 225181650 BIJBMISSWQYSST-UHFFFAOYSA-N 436.533 3.626 0 40 IHAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCc1ccc(Cl)c(Cl)c1 225334381 KAAZSFHKXQQQLD-UHFFFAOYSA-N 427.353 3.766 0 40 IHAB CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCOc1ccccc1 225487570 SRGJYVSJTGYHQY-MRXNPFEDSA-N 433.346 3.771 0 40 IHAB CC(C)(C)OC(=O)N[C@]1(CN)[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccccc1 242687465 UGWFIKWKIQAQFF-WAOWUJCRSA-N 436.961 3.502 0 40 IHAB COc1ccc(CCC(=O)N[C@@H]2CC[C@@H]3OCCO[C@H]3C2)cc1OCc1ccccc1 252507458 WMFWCRYMTAXSPV-SFLYRZDNSA-N 425.525 3.660 0 40 IHAB Cc1nc2cc([C@@H]3CCCN3C(=O)C3CC3)nn2c(C)c1CCC(=O)N1CCCC[C@@H]1C 257274397 NKYLPAMBSXHOTG-AOMKIAJQSA-N 437.588 3.753 0 40 IHAB Cc1cc(N(C)C)nc([C@]2(C)CCCN(C(=O)c3cccc(Nc4ncccn4)c3)C2)n1 257275530 NPTZWSFYEPXZGX-XMMPIXPASA-N 431.544 3.579 0 40 IHAB CCOc1ccc(N([C@@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)cc1 260453320 JHEUKBNNCSLQTA-JXFKEZNVSA-N 446.569 3.658 0 40 IHAB CC(C)n1nccc1[C@@H]1CN(C(=O)c2ccco2)C[C@]12CCCN(Cc1ccccn1)C2=O 306132126 KZLZLPMDXIQGGF-NBGIEHNGSA-N 447.539 3.501 0 40 IHAB COc1cc(NC(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)c(OC)cc1Cl 408626962 YQIPKOQMLWFVST-AWEZNQCLSA-N 440.949 3.767 0 40 IHAB Cc1ccccc1CNC(=O)c1ccccc1NC(=O)C(=O)NCCCc1ccccc1 408709729 WJKXBNZZGBPMMI-UHFFFAOYSA-N 429.520 3.613 0 40 IHAB Cc1ccc(C(=O)N[C@H](C)c2nnc(SCC(=O)N[C@@H](C)c3ccccc3)n2C)cc1 409134495 UEZZNTAGTYHTCE-DLBZAZTESA-N 437.569 3.584 0 40 IHAB CCn1c(COc2ccc(OC)cc2)nnc1SCC(=O)Nc1cc(C)ccc1OC 409338818 BPEHZIYCGMITQP-UHFFFAOYSA-N 442.541 3.933 0 40 IHAB C[C@H](CNC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1)N1CCc2ccccc21 520711352 YDIMTJDLJVPKHY-MRXNPFEDSA-N 441.578 3.730 0 40 IHAB CC(C)COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1 523621658 PGMPTERNKCBAPI-UHFFFAOYSA-N 434.533 3.900 0 40 IHAB O=C(c1ccc(OC2CCCC2)nc1)N1CC[C@H](c2ccccc2F)S(=O)(=O)CC1 575414892 OYLPCSFVYCOKFA-HXUWFJFHSA-N 432.517 3.544 0 40 IHAB Cc1cc(Nc2nc(C)cc(C)n2)cc([C@H]2CCCN(C(=O)/C=C/c3cnn(C)c3)C2)n1 585291940 VVNRDYKZEHJFEW-DUIUGDAFSA-N 431.544 3.693 0 40 IHAB C[C@H](NC(=O)c1cc2cc(Br)cnc2n1C)c1cccc(N2CCOC2=O)c1 1529897252 XJQINYRTDIYUTL-LBPRGKRZSA-N 443.301 3.783 0 40 IHAB O=C(CSc1nnnn1Cc1ccccc1)Nc1nc(-c2ccc(F)cc2)cs1 1353843 AHGUOHLGVLDKNA-UHFFFAOYSA-N 426.502 3.715 0 40 IHAB Cc1c(Cl)cccc1NC(=O)COC(=O)[C@@H](CC(C)C)N1C(=O)c2ccccc2C1=O 1917037 FIQFOYGHGHIAJW-LJQANCHMSA-N 442.899 3.841 0 40 IHAB C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CCN(c5cccc(Cl)c5)CC4)[C@H]3[C@@H](O)[C@@]21C 2119416 HXHILYRRLVJUGI-FICZKHPKSA-N 445.003 3.747 0 40 IHAB biogenic COc1ccc2cc([C@@]3(C)NC(=O)N(CC(=O)N(CC(C)C)CC(C)C)C3=O)ccc2c1 2619032 GUEBFPXJKVVUTA-RUZDIDTESA-N 439.556 3.756 0 40 IHAB CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)N[C@H](C)c1ccccc1 2725829 MRLYEZNSKZARHJ-OXQOHEQNSA-N 430.932 3.905 0 40 IHAB C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CC=C(c2ccccc2)CC1 2726650 XMIRSNCEGCALHU-LJQANCHMSA-N 439.581 3.587 0 40 IHAB O=C1CCCN1C(=O)CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1F 3386406 PINQMFQPDZLZOL-UHFFFAOYSA-N 430.892 3.968 0 40 IHAB COC(=O)c1ccc(C)c(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)c1 3556086 OMITXVXUGGDGOK-UHFFFAOYSA-N 430.526 3.599 0 40 IHAB CCCNC(=O)c1ccc(N2C(=O)N3CCc4c([nH]c5ccc(OC)cc45)[C@@]3(C)C2=O)cc1 8918348 HEUZOYWLBUKUAD-VWLOTQADSA-N 446.507 3.556 0 40 IHAB biogenic COc1cc(/C=c2/sc3nc4ccccc4n3c2=O)ccc1OCCOc1ccccc1 8919725 GQMHYBBADIFJDI-XQNSMLJCSA-N 444.512 3.923 0 40 IHAB COc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2C[C@@H]2CCCO2)cc1OC 9124001 TWGPXKOWBGAJHP-WNSKOXEYSA-N 435.480 3.524 0 40 IHAB CCn1c(COc2ccccc2C)nnc1SCC(=O)Nc1nnc(C2CC2)s1 9302739 ORIHNNXKFKRDGL-UHFFFAOYSA-N 430.559 3.645 0 40 IHAB COc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Nc2ccc3ccccc3n2)cc1 9322852 ODGAYOCETRGJGH-FQEVSTJZSA-N 427.526 3.575 0 40 IHAB O=C(COC(=O)COc1ccc(Cl)cc1Br)Nc1ccc(F)c(F)c1 9398284 RQBRMZAJDVEVCA-UHFFFAOYSA-N 434.620 3.941 0 40 IHAB CC(=O)N[C@H]1C(=O)N(Cc2cc3c(cc2Cl)OCO3)c2ccc(Br)cc21 9409642 OMYVWZLBVSNBNQ-QGZVFWFLSA-N 437.677 3.555 0 40 IHAB Cc1cccn2c(NC(=O)CCN3C(=O)NC4(CCCC4)C3=O)c(-c3ccccc3)nc12 9468530 KLVPQEHTZGVSMD-UHFFFAOYSA-N 431.496 3.503 0 40 IHAB COc1ccc(CCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N(C)C)cc1 9468736 WRXWYFLQJVLMNZ-UHFFFAOYSA-N 445.585 3.507 0 40 IHAB Nn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1cc(-c2ccc(F)cc2)n[nH]1 9540844 WRAMQDAOPDCXRB-UHFFFAOYSA-N 443.895 3.572 0 40 IHAB COc1ccc(C(=O)Nc2nc(CC(=O)NCc3ccccc3Cl)cs2)cc1OC 9628108 MZSOBNSUJKLHNG-UHFFFAOYSA-N 445.928 3.925 0 40 IHAB COc1ccc(C(=O)NCc2ccccc2Cl)cc1S(=O)(=O)NCc1ccccc1 9668042 WZLIEEXMCPPXTK-UHFFFAOYSA-N 444.940 3.757 0 40 IHAB O=c1c(Cl)c(NCc2ccccc2CN2CCCC2)cnn1-c1nc2ccccc2[nH]1 9712308 ZGUHYHSPWGRMEL-UHFFFAOYSA-N 434.931 3.970 0 40 IHAB COc1cccc(-c2nnc(SCC(=O)Nc3ccccc3OC)n2-n2cccc2)c1 9738488 IXGGSGQUNJBPFO-UHFFFAOYSA-N 435.509 3.806 0 40 IHAB CCCCN(C(=O)Cc1ccc(-c2ccccc2)cc1)c1c(N)n(CCC)c(=O)[nH]c1=O 9956115 ODGCTXNGURQGDU-UHFFFAOYSA-N 434.540 3.572 0 40 IHAB COc1ccc(NC(=O)[C@H](C)n2cnc3sc(C(=O)OCC(C)C)c(C)c3c2=O)cc1 9970901 VMNAQQDHMGDOPN-AWEZNQCLSA-N 443.525 3.788 0 40 IHAB CN(CCCC(=O)Nc1cccc(NC(=O)c2ccco2)c1)S(=O)(=O)c1cccs1 11361547 GACGNGTWZZYRRM-UHFFFAOYSA-N 447.538 3.633 0 40 IHAB O=C(c1cc(-c2ccc(Cl)cc2)on1)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 11914674 QBVIZOOKRXRYTL-OAHLLOKOSA-N 436.942 3.886 0 40 IHAB C[C@@H](Cc1cccs1)C(=O)N1CCC[C@@H]([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)C1 12181990 QMHFJRKTVBBYAK-LQKXBSAESA-N 427.496 3.745 0 40 IHAB COCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1cccc(OC)c1 12389903 UEXWXSFCBBRKMW-UHFFFAOYSA-N 442.537 3.845 0 40 IHAB Cc1cc(S(=O)(=O)Nc2ccc(-n3ccnc3)c(Cl)c2)c2[nH]c(=O)cc(C)c2c1 12446763 IHBZWGKVFIATCI-UHFFFAOYSA-N 428.901 3.785 0 40 IHAB biogenic,in-vitro O=C(O)COc1ccccc1/C=C1/SC(=O)N(Cc2cc3c(cc2Cl)OCO3)C1=O 12628542 IGCVTRDZWVUZSH-UBKPWBPPSA-N 447.852 3.769 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1 12797543 YOTVLPSGQYXVSZ-CQSZACIVSA-N 440.949 3.785 0 40 IHAB Cc1ccc(NC(=O)CN(C)C(=O)[C@H](C)N(C)Cc2ccc(Br)cc2)cc1 12855865 HDNZXOWQDLVJSR-INIZCTEOSA-N 432.362 3.675 0 40 IHAB Cc1sc2nc(CSc3ccccc3)nc(NC[C@@H](O)CN3CCOCC3)c2c1C 12905748 BXCPGAOGMGKLRS-QGZVFWFLSA-N 444.626 3.705 0 40 IHAB Cc1noc2nc(-c3ccccc3F)cc(C(=O)NC3CCN(C(=O)c4ccco4)CC3)c12 13002807 FBUPDXSOHNMAJF-UHFFFAOYSA-N 448.454 3.965 0 40 IHAB O=C1N[C@H](c2cccc(Br)c2)[C@H](C(=O)c2ccccc2)[C@](O)(C(F)(F)F)N1 13149148 QFHWXDRJPSSTMX-CPUCHLNUSA-N 443.219 3.553 0 40 IHAB O=C(Oc1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 14471004 BATWCZSCDVWOIW-UHFFFAOYSA-N 439.489 3.575 0 40 IHAB COc1ccc(NC(=O)COc2cccc(Cl)c2)cc1S(=O)(=O)N1CCCCC1 14578280 NVLOPWQNTUVEHB-UHFFFAOYSA-N 438.933 3.541 0 40 IHAB Cc1ccc(CSc2nnc(NC(=O)c3cccc(S(=O)(=O)N(C)C)c3)s2)cc1 14696132 XAAWFLTVOSIFFP-UHFFFAOYSA-N 448.595 3.641 0 40 IHAB O=S(=O)(c1ccccc1Cl)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 15129144 BSXTYGXOWJENGX-UHFFFAOYSA-N 440.274 3.918 0 40 IHAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N[C@H](CN1CCOCC1)c1ccccc1 15497200 LOVVNZWYQPZMNN-GOSISDBHSA-N 429.586 3.844 0 40 IHAB COc1ccc(NC(=O)CN2CC[C@@]3(O)CCCC[C@@H]3[C@@H]2c2ccc(O)c(OC)c2)cc1 16032462 SNTJTEVKGUJQCL-YNJKOYDBSA-N 440.540 3.716 0 40 IHAB biogenic CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)OCc2cc(=O)oc3cc4c(cc23)CCC4)C1 16329794 SMWTZYCEQJNHRK-QGZVFWFLSA-N 427.497 3.972 0 40 IHAB O=C(NCCCS(=O)(=O)N1CCc2ccccc2C1)c1ccc(Cl)cc1Cl 16849388 CAMMPEJGQBOHRJ-UHFFFAOYSA-N 427.353 3.501 0 40 IHAB COc1cc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)ccc1OCc1c(C)noc1C 17701783 JEVVVMQLNLYXCO-OAQYLSRUSA-N 435.524 3.883 0 40 IHAB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1)c1ccc(Cl)cc1 17953550 YMZWCGXHMJOYJY-GQSCTRQFSA-N 435.863 3.691 0 40 IHAB COc1ccc2c(c1)OC1(CCN(C(=O)[C@H](C)n3nc(C(F)F)cc3C)CC1)CC2=O 19119038 AIHVZXMNQIZQSY-AWEZNQCLSA-N 433.455 3.725 0 40 IHAB CCN(CC)Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)c2cc(Cl)ccc2N3)o1 19526450 OPBOASYNMRKCNF-UHFFFAOYSA-N 430.936 3.563 0 40 IHAB COc1ccc(CC(=O)N2CCCC[C@@H]2c2nc(-c3ccsc3)cc(=O)[nH]2)cc1F 19559577 FEUQVKDDGUPSDD-GOSISDBHSA-N 427.501 3.942 0 40 IHAB COc1ccc(-c2cc3nc([C@H](C)NC(=O)[C@H](C)Oc4cccc(F)c4)nn3cn2)cc1 19574352 XSQWAQGZUZRCDL-GJZGRUSLSA-N 435.459 3.584 0 40 IHAB COc1cccc(CNC(=O)c2cnc([C@@H]3CCCN(C(=O)c4ccccc4)C3)nc2C)c1 19763394 JRPHBNOXRGQFHU-OAQYLSRUSA-N 444.535 3.743 0 40 IHAB Cc1nn2c(C(F)(F)F)cc(-c3ccc(Cl)cc3)nc2c1C(=O)N1CCN(C)CC1 19855628 AQRFITOMODWFML-UHFFFAOYSA-N 437.853 3.765 0 40 IHAB CCOC(=O)c1sc(Nc2nc(C)c(C(=O)OC)c(Cc3ccccc3)n2)nc1C 20673448 IHFJVMITHAAWHV-UHFFFAOYSA-N 426.498 3.848 0 40 IHAB COc1cccc(-c2nc(CN3CCN(CC(=O)Nc4cccc(F)c4)CC3)cs2)c1 22930926 BVSQUYLQLOUJRS-UHFFFAOYSA-N 440.544 3.714 0 40 IHAB O=C(Cn1nc2c(c1NC(=O)CC1CCCCC1)CSC2)NCCc1ccccc1 23139685 QSPBAHKBTFJFCC-UHFFFAOYSA-N 426.586 3.898 0 40 IHAB O=C(C1CCN(c2ccc(-c3ccccc3)nn2)CC1)N1CCN(Cc2ccccc2)CC1 23143073 FRBCVOWSKNYVQK-UHFFFAOYSA-N 441.579 3.704 0 40 IHAB O=C1CCCN1Cc1nnc(SCc2coc(-c3ccccc3)n2)n1-c1ccccn1 24197347 RXSIWXNZMATUQS-UHFFFAOYSA-N 432.509 3.732 0 40 IHAB Cc1ccc(-c2nc(C)c(C(=O)N3CSC[C@@H]3C(=O)NCc3ccccc3)s2)o1 24668419 QQIQSULYFCOAOX-MRXNPFEDSA-N 427.551 3.851 0 40 IHAB O=C(C[C@]12CSc3[nH]c(=O)sc3[C@H]1c1ccccc1OC2=O)Nc1ccc(F)cc1 32594562 TWGACGTXPPZFJR-IERDGZPVSA-N 442.493 3.747 0 40 IHAB Cc1cccn2c(=O)cc(CSc3nnc(CN4CCCC4)n3Cc3ccccc3)nc12 32671764 OZXBWXPZQCEBRR-UHFFFAOYSA-N 446.580 3.531 0 40 IHAB O=C(N[C@@H]1CCc2ccccc21)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 32843581 OFWYYGXBKFBCHV-HXUWFJFHSA-N 436.489 3.633 0 40 IHAB CC(C)NS(=O)(=O)c1ccc(-c2ccc([C@H]3NC(=O)c4ccccc4N3C)o2)cc1 32855750 ZFTOVBABRIXRLM-NRFANRHFSA-N 425.510 3.512 0 40 IHAB Cc1cc(C(=O)CN2CCN(c3ccccc3O)CC2)c(C)n1Cc1ccc2c(c1)OCO2 36450938 GSHCIPCWOJZMTM-UHFFFAOYSA-N 447.535 3.592 0 40 IHAB Cc1nn(-c2ccccc2)c2nc(Cl)c([C@H]3NC(N)=Nc4nc5ccccc5n43)cc12 38257302 UKDFWGUICFFROD-IBGZPJMESA-N 428.887 3.828 0 40 IHAB Cc1nc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c2cnn(C)c2n1 40154927 QXDPPOFKNZLVJO-UHFFFAOYSA-N 434.494 3.862 0 40 IHAB O=C1C[C@@H](C(=O)Nc2ccc(Cl)cc2)c2c(nc(Nc3cccc(Cl)c3)[nH]c2=O)N1 40399380 BAAKMKUVXAOOTP-CQSZACIVSA-N 444.278 3.885 0 40 IHAB O=C(CSc1nnc(NC(=O)c2cc(-c3ccccc3)on2)s1)Nc1cccnc1 43939686 SHDIEIYKMXCXQE-UHFFFAOYSA-N 438.494 3.571 0 40 IHAB CCc1cccc(NC(=O)Cn2nc3c(Sc4ccc(C)cc4C)nccn3c2=O)c1 49009026 VQJYBTFLFBEUIT-UHFFFAOYSA-N 433.537 3.860 0 40 IHAB CCN(CCCNC(=O)CCc1nnc2ccc(-c3ccccc3)nn12)c1ccccc1 49399490 BVZREBSXPAIWAR-UHFFFAOYSA-N 428.540 3.757 0 40 IHAB O=C(NCCC(c1ccccc1)c1ccccc1)C(=O)Nc1cccc(-n2cnnc2)c1 49547396 VEXNROZRAJARRG-UHFFFAOYSA-N 425.492 3.544 0 40 IHAB Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)N[C@@H](C)CCc3ccccc3)c2=O)c1 57490136 ACSZXLZQNAPWFM-SFHVURJKSA-N 447.560 3.660 0 40 IHAB Cc1cc(N(CC(=O)Nc2c(C)cccc2C)S(C)(=O)=O)ccc1Br 60512515 RKEZAHIFIABYSG-UHFFFAOYSA-N 425.348 3.779 0 40 IHAB COc1ccc(-c2cc3c(N4CCN(c5ccccc5OC)CC4)nccn3n2)cc1OC 67285335 MBVYHYOOQURMAR-UHFFFAOYSA-N 445.523 3.749 0 40 IHAB COc1ccc(-c2noc(CN3CCC[C@@H](NC(=O)Nc4cccc(C)c4)C3)n2)cc1F 77100807 QWWQXNIPXPMWOE-GOSISDBHSA-N 439.491 3.979 0 40 IHAB COCCN(C(=O)c1cnc(OCC2CC2)c(Cl)c1)c1cccc(Br)n1 96011109 KLQSFQDVFFJAJJ-UHFFFAOYSA-N 440.725 3.975 0 40 IHAB COC(=O)[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2cc3cc(C)ccc3nc2C)CC1 96936860 KHJVETYPJQBJNA-QHCPKHFHSA-N 435.499 3.663 0 40 IHAB Cc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H]([C@H]6C[C@H]56)[C@@H]4C3=O)c2)cc1 100831739 ZFYFWFHQNNBOBA-JKNQRQLFSA-N 441.483 3.592 0 40 IHAB Cc1ccc(C)c(C(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4C3=O)c2)c1 101233613 PWPNNPPIWDGXOK-DODAUVCRSA-N 431.488 3.879 0 40 IHAB CSc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)cc1 113956402 WYNROPIYIQZVMI-UHFFFAOYSA-N 439.002 3.779 0 40 IHAB COc1ccc2c(c1)[C@H](NC(=O)c1ccc(N3CCCCS3(=O)=O)cc1)CC(C)(C)O2 222591097 BNJFUCCYUUIQIL-HXUWFJFHSA-N 444.553 3.657 0 40 IHAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)N(C)c2ccccc2)CC1 222615725 NZRBEGWXRFPULN-UHFFFAOYSA-N 430.570 3.882 0 40 IHAB CC(C)c1ccccc1OCCNC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O 223765550 SCJGMDGYOLYEEC-MRXNPFEDSA-N 438.977 3.813 0 40 IHAB CCCc1ccc(OCCNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)cc1 224098570 ZXORETCZPMYBPK-UHFFFAOYSA-N 430.570 3.541 0 40 IHAB O=C(NCCOc1ccccc1)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl 224106238 QDDULBCGXQUQID-UHFFFAOYSA-N 436.961 3.714 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(C(=O)NCc3cccnc3)c2)cc1 224341891 VBXMMOPMJHHUMY-UHFFFAOYSA-N 429.929 3.799 0 40 IHAB COc1cccc(CN(C(=O)CCc2ccc3c(c2)OCO3)[C@@H](C)C(=O)NCC(C)C)c1 224450353 HQUBPEVDPYEBKJ-SFHVURJKSA-N 440.540 3.546 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)Oc3cc(C)ccc3C(C)C)CC2)cc1 224542352 GDLGWDMJAWSZDJ-FQEVSTJZSA-N 444.597 3.727 0 40 IHAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)COc1ccccc1OC 224555318 CCXRKXYMBJOYBT-NRFANRHFSA-N 426.557 3.962 0 40 IHAB S=C(Nc1nc(N2CCCCCC2)cc(N2CCOCC2)n1)NC1CCCCCC1 226010205 CRSORGNJFZKSKA-UHFFFAOYSA-N 432.638 3.703 0 40 IHAB Cn1cnnc1SCC(=O)Nc1ccc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1 245237171 FWDQATLUPVKPCY-VDZJLULYSA-N 427.574 3.635 0 40 IHAB COc1ccc(C2(C(=O)N3CCC[C@@](C(=O)N(C)C)(c4ccccn4)C3)CCCCC2)cc1 257215987 CSOUOFWUTJRCNU-MHZLTWQESA-N 449.595 3.941 0 40 IHAB Cc1cc(Cc2cccc(C(F)(F)F)c2)cc([C@H]2CN(C(=O)c3nccn3C)CCO2)n1 257335333 YJSYXPBHMTZWRA-HXUWFJFHSA-N 444.457 3.947 0 40 IHAB O=C(CN1CCO[C@H](c2cccc(Nc3ccccn3)n2)C1)Nc1ccc2ncccc2c1 257344962 ZZJMWMLQAGSOEM-QFIPXVFZSA-N 440.507 3.780 0 40 IHAB CC[C@H](NC(=O)[C@H](CC)N(c1ccccc1F)S(C)(=O)=O)c1ccc(OC)c(C)c1 260767731 OPWFFZAEBKJFLG-OALUTQOASA-N 436.549 3.955 0 40 IHAB COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3F)cc2)c1 408605179 MWGKTTDNVPHZKG-UHFFFAOYSA-N 430.457 3.653 0 40 IHAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NC[C@H](C)c2ccccc2)cc1 408710213 SHXRQMRCIUZKHY-IBGZPJMESA-N 429.520 3.783 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3c(F)cccc3F)cc2)cc1 409379304 VYLFIYMOYJSJFD-UHFFFAOYSA-N 448.447 3.792 0 40 IHAB O=C(COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)NCc1ccccc1Cl 409390143 JQKKTIHXRUNXHW-UHFFFAOYSA-N 448.903 3.975 0 40 IHAB COc1ccc(Nc2nc(C(=O)N3CCNC(=O)[C@@H]3c3ccccc3Cl)cs2)cc1 543338399 HFOYTCCTGGTYPQ-SFHVURJKSA-N 442.928 3.862 0 40 IHAB OC1(COc2ccc(F)cc2)CCN(Cc2ccc(OCCN3CCCC3)cc2)CC1 585273002 QDOUOWAKUMFIQM-UHFFFAOYSA-N 428.548 3.706 0 40 IHAB Cc1c(C(=O)Nc2nc(-c3ccc4ccccc4n3)n[nH]2)nnn1-c1cccc2ncccc12 647772239 MCCAGTKGFWKMLO-UHFFFAOYSA-N 447.462 3.710 0 40 IHAB COC(=O)c1ccc(OC)c(S(=O)(=O)NCCc2ccc(-c3cccs3)s2)c1 1889296628 WVOWGNUJCUAUMR-UHFFFAOYSA-N 437.564 3.793 0 40 IHAB CC(C)(C)C(=O)Nc1ccc(N2CCN(c3ncc(C(F)(F)F)cc3F)CC2)cn1 2298063157 MYALJUUKCHTJQM-UHFFFAOYSA-N 425.430 3.946 0 40 IHAB Cc1cccc(C)c1OCC(=O)Nn1c(COc2ccccc2)nc2ccccc2c1=O 716035 MISCNZVMUHLRDQ-UHFFFAOYSA-N 429.476 3.741 0 40 IHAB CCOC(=O)c1c(NC(=S)NC(=O)c2c(Cl)cnn2C)sc2c1CC[C@@H](C)C2 832646 QWKFVSJSVGTIFC-SECBINFHSA-N 440.978 3.563 0 40 IHAB COC(=O)c1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN(C)C)cc1 2704374 MZNYHTSKOFCZFU-QFIPXVFZSA-N 448.519 3.693 0 40 IHAB O=C(c1cccc(Oc2ccccc2)c1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 3547320 MABGWIURMMEKLJ-UHFFFAOYSA-N 440.496 3.765 0 40 IHAB Cc1ccc(S(=O)(=O)Cn2nnnc2[C@H](c2ccc(Cl)cc2)N2CCCCC2)cc1 6197536 XLENKWQCWAZYCJ-FQEVSTJZSA-N 445.976 3.642 0 40 IHAB COc1ccc(CCNC(=O)CCc2c(C)c3ccc(OC)c(C)c3oc2=O)cc1OC 8751945 DRPBZPASUHXKHW-UHFFFAOYSA-N 439.508 3.727 0 40 IHAB biogenic CC(=O)C[C@]1(O)C(=O)N(CCOc2ccccc2Cl)c2ccc(Br)cc21 8818494 GJUXROHLYOUHSK-LJQANCHMSA-N 438.705 3.695 0 40 IHAB C[C@H](OC(=O)c1ccccc1S[C@@H](C)C(=O)NC1CCCC1)C(=O)NC1CCCC1 9057961 IFGQCFANNATYMW-HOTGVXAUSA-N 432.586 3.830 0 40 IHAB Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H]3C(=O)NCc2ccc3c(c2)OCO3)cc1 9132157 KIBLNFSJPVDNHH-INIZCTEOSA-N 435.505 3.779 0 40 IHAB COc1ccc(-c2n[nH]c(SCC(=O)Nc3nc4ccc(OC)cc4s3)n2)cc1 9302482 BUTPMQPSJKVTTB-UHFFFAOYSA-N 427.511 3.829 0 40 IHAB O=C(COc1ccc(OCc2ccccc2)cc1)N1CCN(C(=O)c2ccccc2)CC1 9377387 PCESUATWFVSTPV-UHFFFAOYSA-N 430.504 3.629 0 40 IHAB C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N[C@@H]2CCSc3ccccc32)C1=O 9460344 YEOCKYFVDYLCAW-NLFFAJNJSA-N 445.544 3.960 0 40 IHAB COC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc12 9972373 UBQYFEJVMHKVGL-GMWOSMDTSA-N 447.535 3.806 0 40 IHAB CC(=O)N[C@@H](CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccc(Cl)cc1 10082957 IKURJSWCEOLKHW-NRFANRHFSA-N 427.932 3.785 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1cc(Cl)ccc1C)S(C)(=O)=O 10370024 WDCQCGXMBSPHQC-CQSZACIVSA-N 438.933 3.618 0 40 IHAB CC(C)C(=O)N1CCC(C[C@H]2CC(c3ccccc3)=NO2)(C(=O)NC2CCCC2)CC1 12182229 OOLKJHQOEPFUBA-OAQYLSRUSA-N 425.573 3.893 0 40 IHAB Cc1csc2nc(CSc3nnc(N4CCCCC4)n3Cc3ccco3)cc(=O)n12 12215944 IMBWHAQNHUKQMV-UHFFFAOYSA-N 442.570 3.580 0 40 IHAB CC1(C)Cc2nc(N3CCCC3)ncc2[C@@H](NC(=O)c2cccc(N3CCCC3=O)c2)C1 12221056 URULKHLDPRQPOZ-FQEVSTJZSA-N 433.556 3.647 0 40 IHAB COC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 12416571 NIXBYPLLRWVKOV-VOSMRYOYSA-N 432.545 3.532 0 40 IHAB C[C@H](NC(=O)c1ccc(NC(=O)CSc2nccn2C)cc1)c1ccc(F)cc1F 12507214 PXLJAKYEQWWVBA-ZDUSSCGKSA-N 430.480 3.920 0 40 IHAB Cc1noc(C)c1CSc1ncccc1C(=O)Nc1ccc(NS(C)(=O)=O)cc1 12736435 FFPOVVZUVDESQB-UHFFFAOYSA-N 432.527 3.603 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CSCc2cccc(C)c2)c1 12814905 CETDMORKTDWPMI-UHFFFAOYSA-N 436.599 3.906 0 40 IHAB Cc1ccc(NC(=O)CN[C@@H](c2ccccc2)c2cccs2)cc1S(=O)(=O)N(C)C 12978688 QFQJSPRBBHFOON-QFIPXVFZSA-N 443.594 3.625 0 40 IHAB Cc1ccc(CN(c2ccc3sc(C(=O)N4CCOCC4)cc3c2)S(C)(=O)=O)cc1 13584259 SPZWGNBKNFWAAG-UHFFFAOYSA-N 444.578 3.648 0 40 IHAB CCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H](C(=O)Nc1ccc(Cl)cc1)N1c3ccccc3C=C[C@H]21 13627055 WZBOSIJWIIQYLD-CIAFKFPVSA-N 449.938 3.964 0 40 IHAB CCn1c(COc2ccc(OC)cc2)nnc1SCC(=O)Nc1cccc(OC)c1 13845294 LEGMWUOJQJJQQF-UHFFFAOYSA-N 428.514 3.625 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)Cc2coc3cc4c(cc23)CCC4)cc1 15097599 KQUXCFMIGCHWRD-UHFFFAOYSA-N 440.565 3.811 0 40 IHAB Cc1ccc(OCC(=O)NCCOc2ccccc2Cl)c(-n2nc3ccccc3n2)c1 15304529 RWWVTPMPPPWKFW-UHFFFAOYSA-N 436.899 3.956 0 40 IHAB COc1ccc(Cc2nn(CC(=O)NCc3ccc(C)cc3)c(=S)n2-n2cccc2)cc1 16807256 SGIVFTBQFWXHPK-UHFFFAOYSA-N 447.564 3.751 0 40 IHAB CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CN(C)Cc2ccc(C(F)(F)F)cc2)C1=O 16842493 OBXBZRCFTHOVJT-OAQYLSRUSA-N 435.446 3.961 0 40 IHAB CCOC(=O)C1CCN(C(=O)CCc2csc3nc(-c4ccc(OC)cc4)cn23)CC1 16848792 LEBTYVMPFXKQPW-UHFFFAOYSA-N 441.553 3.806 0 40 IHAB Cc1cc(C)c(S(=O)(=O)NCCc2csc3nc(-c4ccccc4)nn23)c(C)c1 16994286 IYEGQAQLTQLMTN-UHFFFAOYSA-N 426.567 3.904 0 40 IHAB COc1ccccc1OCC(=O)N1CCNC(=O)[C@H](Cc2ccccc2-c2ccccc2)C1 19571432 MKDLPTYMHQDGHF-JOCHJYFZSA-N 444.531 3.558 0 40 IHAB Cc1nc(C2CCN(C(=O)c3cnn(C)c3)CC2)nc2c1CCCN2CCc1ccccc1 19705675 BAXFMQXZDDXEAR-UHFFFAOYSA-N 444.583 3.534 0 40 IHAB CCCOc1ccc2[nH]c(C)c(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)c(=O)c2c1 19793734 VROXMBGJOCUFHZ-UHFFFAOYSA-N 449.551 3.672 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)[C@@H](C)Oc1cc(C)ccc1C 20038513 PLZKGHFURFYNCO-QGZVFWFLSA-N 432.542 3.503 0 40 IHAB CCN1c2cc(OC)c(OC)cc2C(C)=C(C(=O)NCCC2=CCCCC2)S1(=O)=O 20064064 QSYFENBUBSCAIT-UHFFFAOYSA-N 434.558 3.611 0 40 IHAB COc1ccccc1N1CCN(C(=O)Cn2ccc3ccc(Br)cc32)CC1 20715989 JDKOJTQQBNOECK-UHFFFAOYSA-N 428.330 3.761 0 40 IHAB COc1ccc(-n2ncc3c2N=C(O)C[C@]32C(=O)Nc3ccc(Br)cc32)cc1 20728532 CXQKESBJQKLVMM-HXUWFJFHSA-N 439.269 3.873 0 40 IHAB Cc1ccc(-c2nnc(S[C@H](C)C(=O)N3CCN(Cc4ccccc4)CC3)n2C)cc1 23880999 QNGABUCUWDIVBY-LJQANCHMSA-N 435.597 3.616 0 40 IHAB O=C(Cc1csc(-c2ccco2)n1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 24369181 NMSGZCBJBORWQV-UHFFFAOYSA-N 431.539 3.759 0 40 IHAB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2cccc(COc3cccc(F)c3)c2)c1 26013256 LJJZWDLUPBCJIK-UHFFFAOYSA-N 428.485 3.907 0 40 IHAB O=C(/N=c1\sccn1Cc1ccccc1F)C1CCN(C(=O)c2cccs2)CC1 26385726 ADRFVVORBFNCGS-LNVKXUELSA-N 429.542 3.778 0 40 IHAB CC(C)(C)n1nnnc1[C@H](c1cccnc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 26438838 AXDGTCNZGLWWOZ-IBGZPJMESA-N 445.493 3.754 0 40 IHAB COc1ccc(-c2noc(CN(C)C(=O)COc3ccc(C)c(Cl)c3)n2)cc1OC 28218402 IXAYHPGSEJTBNK-UHFFFAOYSA-N 431.876 3.753 0 40 IHAB Cc1sc2nc([C@H](C)n3nnc(-c4ccc(Br)cc4)n3)[nH]c(=O)c2c1C 31731643 SOEQHMFGUUHDKR-VIFPVBQESA-N 431.319 3.627 0 40 IHAB O=C(NCc1nnc2ccc(C(F)(F)F)cn12)C1(c2ccc3c(c2)OCCO3)CCCC1 32462203 ISZHTTJKPXXFJM-UHFFFAOYSA-N 446.429 3.648 0 40 IHAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NCCCN(C)C(=O)OC(C)(C)C 32913572 GKVBWZCUQZQGLC-UHFFFAOYSA-N 439.560 3.805 0 40 IHAB Cc1ccc(Cn2nc(C)c(C(=O)N3CCN(C(=O)Nc4ccccc4)CC3)c2C)cc1 40001031 CGKMRHMIRAYQGY-UHFFFAOYSA-N 431.540 3.847 0 40 IHAB O=C(Cc1csc(NC(=O)c2ccco2)n1)Nc1cccc(OC[C@H]2CCCO2)c1 40062806 XHMHJDAEEBHESF-QGZVFWFLSA-N 427.482 3.727 0 40 IHAB COc1ccc(CCn2ccc3c(nnc4c(-c5ccc(F)cc5)cnn43)c2=O)cc1OC 40391407 JUDRTQGMODUVEQ-UHFFFAOYSA-N 445.454 3.505 0 40 IHAB Cc1cccc(C)c1OCC(=O)Nc1cc(-c2ccccc2)nn1[C@H]1CCS(=O)(=O)C1 41024950 HXDSKMAMVJYSHX-IBGZPJMESA-N 439.537 3.544 0 40 IHAB Cc1ccc(C)c(NC(=O)CN2CN(c3cccc(F)c3)c3ncccc3S2(=O)=O)c1 49411542 ADLBYGJBKLVYMK-UHFFFAOYSA-N 440.500 3.576 0 40 IHAB Cc1csc(Sc2ccc(NC(=O)Cn3nnc4ccccc4c3=O)cc2Cl)n1 65567426 PSGLONXAUDSHOI-UHFFFAOYSA-N 443.941 4.000 0 40 IHAB Cc1nc([C@@H]2CCCN2C(=O)CN2CCCCCC2)ncc1C(=O)Nc1ccc(F)cc1 72345377 IWGVZEADTLJPFI-NRFANRHFSA-N 439.535 3.716 0 40 IHAB CC1CCN(C(=O)CN2CCC[C@@H]2c2ccc3c(NCc4ccccc4)n[nH]c3n2)CC1 72374505 WCBNZFDTVHLYMK-JOCHJYFZSA-N 432.572 3.965 0 40 IHAB Cn1cc(-c2ccccc2CNC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)cn1 89756591 CASGJDWOWSFXGV-UHFFFAOYSA-N 435.505 3.584 0 40 IHAB CC(C)c1n[nH]c(C(=O)NC2CCN(C(=O)C3CCCCC3)CC2)c1Br 89891119 FLQDPEDAYGYJDZ-UHFFFAOYSA-N 425.371 3.597 0 40 IHAB COc1c(C[C@H]2CC(c3sc4nc(C)cc(C)c4c3N)=NO2)cc2c(c1OC)OCO2 96335744 NPWMPCIEXGLKLJ-ZDUSSCGKSA-N 441.509 3.977 0 40 IHAB CN1CCC2(CC1)C[C@@H](NC(=O)CC[C@@H]1Cc3ccccc3NC1=O)c1ccccc1O2 96997615 ANOOBBDKNIDLQQ-DENIHFKCSA-N 433.552 3.682 0 40 IHAB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1)c1ccc(Cl)cc1 101145820 VXTQJGWQXOUNOF-VUEDXXQZSA-N 437.879 3.915 0 40 IHAB CCn1cc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@H]2C3=C(C)C)c(C(=O)NC2CCCCC2)n1 102644688 UWBBAKSRUFMVAU-FVCZOJIISA-N 442.560 3.597 0 40 IHAB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)c(Cl)c3)C2=O)ccc1O 109018429 FGJRERSGCZYKHY-CAOOACKPSA-N 448.884 3.738 0 40 IHAB CC(C)Oc1cccc(N(CC(=O)Nc2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1 220101642 OAEYEOOILVTLGB-UHFFFAOYSA-N 430.448 3.897 0 40 IHAB Cc1cccc(N([C@@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)S(C)(=O)=O)c1 220149926 JXFCUBQDYBIZPK-FXAWDEMLSA-N 430.570 3.877 0 40 IHAB Cc1ccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)cc1C 224025430 ORFDNLAEEHJYHU-UHFFFAOYSA-N 444.597 3.985 0 40 IHAB CCOc1ccc(-c2noc(CN(C)C(=O)c3ccc(Cn4ccnc4C)cc3)n2)cc1 225300820 QATWMCAUFZUOFP-UHFFFAOYSA-N 431.496 3.961 0 40 IHAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccc(Cl)cc1Cl 225437174 WHCCGYMYCKMEHI-GOSISDBHSA-N 445.368 3.863 0 40 IHAB COC(=O)C[C@H](c1cccnc1)c1c(O)cc(C)n(CCc2c[nH]c3ccccc23)c1=O 253414199 WSYUNBMSCHJZJV-HXUWFJFHSA-N 431.492 3.676 0 40 IHAB biogenic CC(=O)N1CCN(C(=O)C2(c3ccc(Cl)cc3)CCOCC2)C[C@H]1c1ccccc1 257215811 CRTURRFBRJJAQT-QFIPXVFZSA-N 426.944 3.820 0 40 IHAB COCc1cc(CN2CCO[C@@H](c3cccc(-c4cnn(C)c4)n3)C2)ccc1OC(C)C 257231624 GHNDTAUMXAAZSJ-RUZDIDTESA-N 436.556 3.989 0 40 IHAB COc1cccc(N(CC(=O)Nc2ccc(Br)c(Cl)c2)S(C)(=O)=O)c1 409327434 TXQZMTGTKCLEOB-UHFFFAOYSA-N 447.738 3.516 0 40 IHAB Cc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3ccc4ccccc4c3)n2C)cc1 409328950 AYLJQGNVQBNTGB-UHFFFAOYSA-N 445.548 3.938 0 40 IHAB CC1CCN(CC(=O)N2CCC[C@@]3(CCCCCOc4ccccc4C(=O)NC3)C2)CC1 643559555 RGUXGAAJVUQBPP-AREMUKBSSA-N 441.616 3.710 0 40 IHAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)NC[C@@H](C)c3ccncc3)cc2)C1 674191154 WMKJVLHZZLNPHH-FGTMMUONSA-N 430.574 3.673 0 40 IHAB COc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(OC(C)=O)(c4ccccc43)[C@H]2C1=O 1639514 WGLJYSRWLJTYLN-AYIBLLACSA-N 439.467 3.767 0 40 IHAB CCOC(=O)COc1cccc2c(=O)n(CC(=O)Nc3ccc(C)c(Cl)c3)ccc12 2712225 WXURGXNUMBCGOP-UHFFFAOYSA-N 428.872 3.544 0 40 IHAB CCOC(=O)C1=C(C(F)(F)F)NC(=O)N[C@H]1c1c(C)nn(-c2ccccc2)c1Cl 3236493 RZDZVQYVMIIYCW-ZDUSSCGKSA-N 428.798 3.568 0 40 IHAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1c1nc2n(n1)[C@@H](c1ccccc1)C[C@@H](c1ccccc1)N2 4295384 LJUIHPXVUYBPKS-JSXRDJHFSA-N 425.492 3.880 0 40 IHAB O=C(NCc1cccnc1)c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 6147059 QOCPAIDZVXLHPG-UHFFFAOYSA-N 435.427 3.831 0 40 IHAB C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)C(=O)Nc1ccc(C(N)=O)cc1 8752977 PIUJBBWUTFICLA-ZDUSSCGKSA-N 446.536 3.980 0 40 IHAB CCc1ccc([C@H]2CN3C(=O)CN(CCCOC)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 8789139 ITVWUTZRWUGTPU-ZBLYBZFDSA-N 445.563 3.798 0 40 IHAB biogenic COc1ccc2nc(NC(=O)[C@H](CCSC)NC(=O)COc3ccccc3)sc2c1 9218630 DGFVSYDAMAFZJE-KRWDZBQOSA-N 445.566 3.560 0 40 IHAB CCOc1ccc(S(=O)(=O)NCc2cccnc2)cc1NC(=O)c1ccc(Cl)cc1 9288462 LXQKFSVBQGPBPO-UHFFFAOYSA-N 445.928 3.865 0 40 IHAB COc1ccc([C@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2C(=O)c2ccco2)cc1 9392192 VMUBVHRGSBLQQW-HXUWFJFHSA-N 439.493 3.651 0 40 IHAB COc1ccc(-c2nnc3ccc(SCC(=O)Nc4cccc(F)c4)nn23)cc1OC 9415399 ZIVJZBBOBYOAIV-UHFFFAOYSA-N 439.472 3.678 0 40 IHAB O=C(NC1CCN(Cc2ccccc2)CC1)c1nnc(Cc2c(F)cccc2Cl)o1 9605181 KJJLNHKHAJFSPE-UHFFFAOYSA-N 428.895 3.847 0 40 IHAB COc1ccc(/C=C/C(=O)Nc2ccc(C)cc2F)cc1S(=O)(=O)N1CCCCC1 9703660 ZGKINKBTNJIAEX-DHZHZOJOSA-N 432.517 3.969 0 40 IHAB CCn1c(SCC(=O)c2cc(C)n(C(C)C)c2C)nc2cc(S(N)(=O)=O)ccc21 9731337 YTNSMMIUIGTXQC-UHFFFAOYSA-N 434.587 3.678 0 40 IHAB Cc1ccc(N(CC(=O)NCCCN2CCCCCC2)S(=O)(=O)c2ccccc2)cc1 10111126 NXSXPBSQBRQTDS-UHFFFAOYSA-N 443.613 3.573 0 40 IHAB COc1cc(C(=O)N2CCN(c3nc4c(Cl)cccc4s3)CC2)cc(OC)c1OC 10166321 ZSOXAJJHQHYOLI-UHFFFAOYSA-N 447.944 3.938 0 40 IHAB COCCn1c(SCC(=O)NCCc2ccccc2)nnc1-c1c[nH]c2ccccc12 11758031 OJHSFIMJDXAYFH-UHFFFAOYSA-N 435.553 3.524 0 40 IHAB Cc1ccc(N2N=C(C(=O)O[C@@H](C(=O)N(C)C)c3ccccc3)CCC2=O)cc1Cl 11956426 ZCDWHOGQVYKGOB-HXUWFJFHSA-N 427.888 3.504 0 40 IHAB CCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(C)c(Cl)c3)cc21 12180666 RTHFJGSKZRULFB-UHFFFAOYSA-N 428.963 3.552 0 40 IHAB O=C(/C=C/c1ccc(OCc2cn3ccccc3n2)cc1)N1CCN(c2ccccn2)CC1 12559234 LEQYHTVQVDKXBR-FMIVXFBMSA-N 439.519 3.670 0 40 IHAB CCN(CC)C(=O)CSc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CC[C@H](C)C3 12906393 WRSWIVSNKNJFMW-GJZGRUSLSA-N 449.642 3.722 0 40 IHAB Cc1ccc(C)c(C(=O)CCC(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)c1 12976192 YCDGOFYAOZNPIG-UHFFFAOYSA-N 441.959 3.703 0 40 IHAB CC(C)CCN1C(=O)c2ccc(C(=O)NCc3cccc(NC(=O)C4CC4)c3)cc2C1=O 12985956 YAVBVIYDQHSDLD-UHFFFAOYSA-N 433.508 3.607 0 40 IHAB C[C@@H](C(=O)O)n1c(S[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)nnc1-c1cccs1 13009607 SWNPJEBILKGFCT-MEDUHNTESA-N 446.529 3.903 0 40 IHAB Cc1ccc(Cl)cc1NC(=O)CSC(=S)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 13572242 GAWXOOSDAWRQEC-CABCVRRESA-N 448.013 3.886 0 40 IHAB COc1cc(C(=O)Nc2ccc(Cl)cc2Cl)c(N(C)S(C)(=O)=O)cc1OC 13582614 HYPZJKAEVZOJOR-UHFFFAOYSA-N 433.313 3.659 0 40 IHAB O=C(Cn1cnc2ccccc2c1=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 14502047 OHFWPQFAWWRMBP-UHFFFAOYSA-N 449.514 3.625 0 40 IHAB Cc1nnc(SCC(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)s1 15513187 UBGABHZLFJCWGX-UHFFFAOYSA-N 439.610 3.900 0 40 IHAB Cc1ccc2sc(N(Cc3ccccc3)C(=O)[C@H]3CCCN3S(C)(=O)=O)nc2c1C 16847954 GNPJWPRFAXFWJN-GOSISDBHSA-N 443.594 3.870 0 40 IHAB Nc1ncc(CN(Cc2ccco2)C[C@@H](O)Cn2c3ccccc3c3ccccc32)cn1 19376180 QQHCFHPZTVMADO-LJQANCHMSA-N 427.508 3.823 0 40 IHAB O=C1CCCC[C@]2(CN(C(=O)CCn3ncc4ccccc43)C[C@H]2c2ccccc2F)N1 19376609 UKEPRHZEBOIZCW-NBGIEHNGSA-N 434.515 3.621 0 40 IHAB CC(C)c1nc(C[C@H](NC(=O)Cc2ccc3c(c2)CCCO3)c2ccccc2)cc(=O)[nH]1 19453560 KMRWOVRCLDTLLQ-QFIPXVFZSA-N 431.536 3.861 0 40 IHAB Cc1nnsc1C(=O)N1CCC[C@H](c2nc(N(C)C)ncc2-c2ccc(F)cc2)C1 19693929 YHPZAZICUZVBSR-HNNXBMFYSA-N 426.521 3.528 0 40 IHAB CCN(C(=O)Cc1nonc1N)[C@H]1CCO[C@@H](c2ccccc2-c2ccc(OC)cc2)C1 19711840 OBSYVEVEVBBBHX-HTAPYJJXSA-N 436.512 3.639 0 40 IHAB CCN(C(=O)CCn1cnnn1)[C@H]1CCO[C@@H](c2ccccc2-c2cc(F)cc(F)c2)C1 19711950 NKJJQWPFZGOJGH-SIKLNZKXSA-N 441.482 3.777 0 40 IHAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccccc2)N1CCCN1CCOCC1 19882245 BNTWMTBPYPZMJE-OAQYLSRUSA-N 438.911 3.714 0 40 IHAB CN(c1ccc(OCC(=O)NCc2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccccc1 19937820 WCBGZMHELQTTDZ-UHFFFAOYSA-N 444.940 3.860 0 40 IHAB O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccc(F)c(C(F)(F)F)c1 20019096 DIKLMSNPCIUZPE-UHFFFAOYSA-N 446.422 3.647 0 40 IHAB O=C(NCCCN1CCCCC1)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 20108552 BUVXKTRZUAWKAQ-UHFFFAOYSA-N 435.977 3.747 0 40 IHAB CCOC(=O)Cc1csc(NC(=O)[C@H](c2ccccc2)N2Cc3ccccc3C2=O)n1 20738258 DJHHQPKYXQKXAU-FQEVSTJZSA-N 435.505 3.585 0 40 IHAB COc1ccccc1N1CCN(C(=O)CCc2c(C)nc3c(cnn3C(C)C)c2C)CC1 21002276 MOZOSEHRNZECIE-UHFFFAOYSA-N 435.572 3.919 0 40 IHAB O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1cc(C2CC2)nn1-c1ccccc1 23561519 DAYHRGXUJFRCAQ-DEOSSOPVSA-N 434.515 3.692 0 40 IHAB O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 24570685 BEECSQYBNZNTRS-GFCCVEGCSA-N 443.431 3.809 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(NC(=O)Cc2csc3nc(C)cn23)ccc1Cl 24831511 PFKDLRMXRDIHRW-UHFFFAOYSA-N 440.978 3.569 0 40 IHAB O=C(Nc1cccc(CN2CCCC2=O)c1)c1nn(-c2ccccc2)c(=O)c2ccccc12 29286929 DQPHMKNLFUBHOR-UHFFFAOYSA-N 438.487 3.760 0 40 IHAB COc1cc2c(cc1OC)CN(C(=O)C[C@H]1Sc3ccc(Cl)cc3NC1=O)CC2 31239347 WBIJULWLJZQMJG-LJQANCHMSA-N 432.929 3.745 0 40 IHAB CCOc1ccc(-c2cc(C(=O)NC[C@H](c3cccs3)N3CCOCC3)no2)cc1 32622778 LHABZMVQVMBCLK-LJQANCHMSA-N 427.526 3.605 0 40 IHAB Cc1sc2nc(CN3CCOCC3)nc(N(C)CCOc3ccc(F)cc3)c2c1C 32808484 BECCSDFGSVWFGT-UHFFFAOYSA-N 430.549 3.795 0 40 IHAB COc1cccc(N(CC(=O)Nc2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)c1 44802612 UKTWSJAPHCOFPK-UHFFFAOYSA-N 428.485 3.977 0 40 IHAB Cc1nn2c(nc(N3CCN(CCCOCC(F)(F)F)CC3)c3ccccc32)c1Cl 48309295 XQRPTYCYDLQOLM-UHFFFAOYSA-N 441.885 3.935 0 40 IHAB O=C(CSc1nccnc1N1CCN(c2ccccc2)CC1)Nc1ccc(F)cc1F 48986590 IWNURAQGHNERBL-UHFFFAOYSA-N 441.507 3.812 0 40 IHAB COC(=O)C(C)(C)NC(=O)CSc1csc(-c2ccc(Br)cc2)n1 58147351 QUIZGIKCZLUPHG-UHFFFAOYSA-N 429.361 3.733 0 40 IHAB C[C@@H]1CCCC[C@H]1OCCNC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 58156404 QKPPYXFWXSXZTH-CRAIPNDOSA-N 443.997 3.841 0 40 IHAB CCOc1ccc(Br)cc1/C=C/C(=O)Nc1nc(CC(=O)OC)cs1 62714785 YKJBUXJBGTZLIV-QPJJXVBHSA-N 425.304 3.672 0 40 IHAB CC(C)n1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1[C@H](C)NC(=O)c1ccccc1 67192637 PQQLQUKFQNCCGH-HNNXBMFYSA-N 448.552 3.879 0 40 IHAB CCOc1ccccc1CNC(=O)CCn1ccn2nc(-c3ccc(C)c(C)c3)cc2c1=O 67260857 SJQGXFGPTRMZBX-UHFFFAOYSA-N 444.535 3.885 0 40 IHAB CSc1ccc([C@@H]2NC(=O)N(CC(=O)Nc3ccccc3Cl)C3=C2C(=O)OC3)cc1 71326795 ICHDNWOBOCJZJL-IBGZPJMESA-N 443.912 3.578 0 40 IHAB COc1ccc([C@@H]2CCCCCN2C(=O)Cc2c(C)nc(-c3cccnc3)[nH]c2=O)cc1 71851806 PIMJEMOEFWEGAK-QFIPXVFZSA-N 432.524 3.835 0 40 IHAB CCC(C)(C)NC(=O)CCc1c(C)nc2cc([C@@H]3CCCN3C(=O)C3CC3)nn2c1C 72351313 ZDWYYPBOFSJJHI-FQEVSTJZSA-N 425.577 3.657 0 40 IHAB Cc1noc(C)c1S(=O)(=O)NC1(C(=O)N(C)Cc2cccc3ccccc23)CCCC1 78903216 JFORTPACUQNKSF-UHFFFAOYSA-N 441.553 3.694 0 40 IHAB CC(C)[C@H](NC(=O)Nc1ccc(-n2cncn2)c(C(F)(F)F)c1)C(=O)OC(C)(C)C 95414237 DJWWIUBQBOSQCQ-HNNXBMFYSA-N 427.427 3.774 0 40 IHAB COc1cc([C@H]2[C@@H]3C(=O)N(c4ccccc4C)C(=O)[C@H]3ON2c2ccccc2)ccc1O 101029690 VZAFSPQRRKUHIT-VABKMULXSA-N 430.460 3.760 0 40 IHAB COc1cccc(CNc2cnn(C34C[C@@H]5CC(C[C@H](C5)C3)[C@@H]4C(=O)O)c(=O)c2Cl)c1 101093959 FTODPHNOFJBRRH-IIGMRFEJSA-N 443.931 3.753 0 40 IHAB CC1(C)C[C@H]2C[C@@](C)(CN2[C@H](C(=O)O)c2c[nH]c3cc(NC(=O)/C=C/C(=O)O)ccc23)C1 101641473 OGOIDEGCILKTIU-HNXOEYIYSA-N 439.512 3.774 0 40 IHAB O=C(c1cccc(-c2cc3ccccc3oc2=O)c1)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2 101658303 XMYMUEJXVCUOMX-DYESRHJHSA-N 438.483 3.881 0 40 IHAB Cc1cc(O)c(-c2ccnc3nc(Nc4cccc(C(F)(F)F)c4)[nH]c(=O)c23)c(=O)o1 102338271 LHWZQSSLWBDDKW-UHFFFAOYSA-N 430.342 3.715 0 40 IHAB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H]4C=C[C@@H](CC4)[C@@H]3C(=O)O)c2C(N)=O)C1 102641352 WMSULPLDRZCYDX-BCBCSNLJSA-N 430.570 3.850 0 40 IHAB O[C@@H](COCc1ccc2c(c1)OCO2)CN1CCC[C@H](c2nc3ccccc3s2)C1 104659669 VEXOBJRUMPTMPY-ZWKOTPCHSA-N 426.538 3.782 0 40 IHAB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 108974765 AJDMFEGYDGOUIP-OQLLNIDSSA-N 440.795 3.553 0 40 IHAB CSc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3ccc(F)cc3)CC2)cc1 113956215 IWLKKEIGQGCCJS-HNNXBMFYSA-N 436.574 3.826 0 40 IHAB O=C(N[C@H]1CCCc2ccccc21)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 216357541 DRUWWRWIVCOVMU-VWNXMTODSA-N 440.609 3.855 0 40 IHAB CC[C@@H](C(=O)NCc1ccc(OC(C)C)c(OC)c1)N(c1ccc(C)cc1)S(C)(=O)=O 219096058 YQRWERQPIDOLQR-FQEVSTJZSA-N 448.585 3.652 0 40 IHAB CCOc1ccc(CNC(=O)[C@H](CC)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 220740252 UROLZWDLKQWEFS-FQEVSTJZSA-N 438.977 3.908 0 40 IHAB CC[C@@H](C(=O)Nc1ccc(OC)cc1)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 220755295 YTZIZHYUAVCWRD-INIZCTEOSA-N 426.922 3.541 0 40 IHAB Cc1ccc(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1N(C)S(C)(=O)=O 222453167 DXFBDMYVZQCJAN-UHFFFAOYSA-N 443.569 3.706 0 40 IHAB CCC(=O)N(Cc1ccc(OC)cc1)[C@@H](Cc1ccccc1)C(=O)NCc1cccnc1 223264756 HOQZXIMKXTYJIK-DEOSSOPVSA-N 431.536 3.757 0 40 IHAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)cc1 223385418 NMXLRBJYFYZAAR-KRWDZBQOSA-N 448.585 3.634 0 40 IHAB CSc1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1C(=O)N1CCC(C)CC1 223855202 NIACGCWNYBZICM-UHFFFAOYSA-N 436.574 3.898 0 40 IHAB CCOc1cccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc2)c1 223985121 RMKIYNQOFWQOBI-UHFFFAOYSA-N 440.521 3.825 0 40 IHAB CCOC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OCC)cc1 224592513 DAUJWCZUGGMTQK-UHFFFAOYSA-N 427.906 3.506 0 40 IHAB CS(=O)(=O)N(CC(=O)Nc1ccc(Br)cc1F)Cc1ccccc1Cl 225338350 FZMNHZZJQSVPFJ-UHFFFAOYSA-N 449.729 3.642 0 40 IHAB CC1CCN(c2cc(N3CCOCC3)nc(NC(=S)N[C@@H](C)c3ccccc3)n2)CC1 225959755 SZUCYFULCVNAOI-SFHVURJKSA-N 440.617 3.597 0 40 IHAB O=C1[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1CN(C(=O)c1ccccc1Cl)c1ccccc1 226399886 QQWSKVWZFKXLED-XBSLQCMUSA-N 432.907 3.997 0 40 IHAB O=C(c1ccccc1Cn1cccn1)N1CCC[C@]2(C[C@@H](Oc3cccc(F)c3)CO2)C1 257203371 APRYISBDRVXPRL-RDGATRHJSA-N 435.499 3.913 0 40 IHAB Cc1ncsc1-c1nnc([C@H]2CC[C@H](CNC(=O)c3ccc4c(c3)OCO4)CC2)o1 257242482 ICTFPQSWILQKFJ-HDJSIYSDSA-N 426.498 3.934 0 40 IHAB Cc1cccc(CN2CCC[C@H]2c2cc3nc(C)c(CCC(=O)NC(C)C)c(C)n3n2)n1 257321608 WCIPWQVKHIXGJN-QHCPKHFHSA-N 434.588 3.844 0 40 IHAB O=C1CO[C@]2(CCN(Cc3cccc(OCc4ccccn4)c3)C2)CN1c1ccccc1 257334708 YHBSRMSGOMQNIE-SANMLTNESA-N 429.520 3.669 0 40 IHAB CC(=O)c1cccc(NC(=O)COC(=O)CCC(=O)Nc2cccc(C(F)(F)F)c2)c1 408670219 YTHJJCPOSRFLGX-UHFFFAOYSA-N 436.386 3.809 0 40 IHAB CO[C@]1(COc2cccc(Cl)c2)COCCN(Cc2ccc(OCCN(C)C)cc2)C1 585271723 JKVXVIZZUOYQRK-DEOSSOPVSA-N 448.991 3.577 0 40 IHAB O=C(c1ccc(Cn2ccnc2)cc1)N1C[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@H]2C1 1888906524 IKZGMCGUPNNYQH-OALUTQOASA-N 441.457 3.554 0 40 IHAB O=C(CN1CCC[C@](O)(COc2ccc(F)cc2)C1)Nc1cccc(C(F)(F)F)c1 2037916201 UTCSBPKGWBCRPP-HXUWFJFHSA-N 426.410 3.689 0 40 IHAB Cc1cc2cc(CN(CCO)S(=O)(=O)c3ccc(C(C)(C)C)cc3)c(=O)[nH]c2cc1C 925608 UGZUEYIQSJVYQB-UHFFFAOYSA-N 442.581 3.626 0 40 IHAB Cc1c(C(=O)Nc2ccccc2)sc2ncn(CC(=O)OCc3ccccc3)c(=O)c12 955587 GABIVUMQYQEJKQ-UHFFFAOYSA-N 433.489 3.762 0 40 IHAB COc1ccc(C(=O)N2CCN(c3ncnc4c(-c5ccccc5)nsc34)CC2)cc1 1370722 PDUFPWDYLIGWDR-UHFFFAOYSA-N 431.521 3.724 0 40 IHAB COc1ccc2c(-c3cc4ccc(OCC(=O)OC(C)C)cc4oc3=O)cc(=O)oc2c1 2160741 ZVZVODBOSPFNBQ-UHFFFAOYSA-N 436.416 3.905 0 40 IHAB biogenic Cc1cc(O)n2nc(N3C(=O)c4c(Cl)c(Cl)c(Cl)c(Cl)c4C3=O)nc2n1 2257211 JICMJIABLZDONW-UHFFFAOYSA-N 433.038 3.553 0 40 IHAB CCOc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1[C@H](C)COC 3245022 FKUPRECILFFBAG-OAHLLOKOSA-N 427.526 3.733 0 40 IHAB O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)OCC(=O)N1CCCc2ccccc21 3263257 JTKPSYGFPRWPJB-UHFFFAOYSA-N 444.487 3.731 0 40 IHAB Cc1ncsc1CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 3264252 CAALPQNRALYGGG-UHFFFAOYSA-N 438.477 3.930 0 40 IHAB Cc1cc(C(=O)OCC(=O)Nc2ccc(I)cc2)c2ccccc2n1 3302178 AGXFXXNASQUCNT-UHFFFAOYSA-N 446.244 3.943 0 40 IHAB CC(=O)Nc1ccc2c(COC(=O)C(O)(c3ccccc3)c3ccccc3)cc(=O)oc2c1 3426314 IBDPOZQZHPXPEY-UHFFFAOYSA-N 443.455 3.731 0 40 IHAB CCOCCCn1c(SCC(=O)Nc2ccc(OCC)cc2)nc2ccccc2c1=O 6600205 FAZTUACRMBVHDL-UHFFFAOYSA-N 441.553 3.953 0 40 IHAB C[C@H](Nc1ccc(Br)cc1)c1nnc(SCC(N)=O)n1-c1ccccc1 8456818 COPWLTCODUORDI-LBPRGKRZSA-N 432.347 3.780 0 40 IHAB O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 8992719 FKBQPWYWUKOMRT-NRFANRHFSA-N 438.553 3.715 0 40 IHAB COc1ccc(-c2nnc(SCC(=O)NC34CC5CC(CC(C5)C3)C4)n2C)cc1OC 9263928 FMUIZHBNLHMWNF-UHFFFAOYSA-N 442.585 3.676 0 40 IHAB CCCOc1cccc(C(=O)Nc2nnc(S(=O)(=O)Cc3ccccc3F)s2)c1 9340207 ILTHAYAOPGQLNX-UHFFFAOYSA-N 435.502 3.692 0 40 IHAB Cc1cc(O[C@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)c2c(C)c(C)c(=O)oc2c1 9348040 JWQUWRABOOCAJZ-GOSISDBHSA-N 438.499 3.973 0 40 IHAB O=C(CSc1nnc(Cc2cccs2)n1C1CC1)c1c[nH]c(C(=O)N2CCCC2)c1 9376487 OYBSXOHBJBHAQI-UHFFFAOYSA-N 441.582 3.804 0 40 IHAB C[C@H](C(=O)Nc1ccc2c(c1)CCC2)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 9665136 KSYLDVHBTFICBC-MRXNPFEDSA-N 435.524 3.582 0 40 IHAB Cc1noc(C)c1COc1ccc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1 9778661 IPQPYAJSAMAWBF-UHFFFAOYSA-N 446.507 3.991 0 40 IHAB COc1ccc(OC)c(NC(=O)CSc2nnc3ccc(-c4ccc(C)cc4)nn23)c1 9829098 SHEWMWIETFWNMO-UHFFFAOYSA-N 435.509 3.848 0 40 IHAB Oc1ccc(Br)cc1C(=S)N1CCN(C(=S)Nc2ccccc2)CC1 9910261 GARWFVDKHVPZFD-UHFFFAOYSA-N 436.400 3.845 0 40 IHAB COc1ccc(C(C)=O)cc1COC(=O)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 9959391 CZMQKDSBBLOTSK-STZFKDTASA-N 444.447 3.886 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc4c(C)cccc4s3)CC2)cc1 10337555 VHUMQJPRYKWQPZ-UHFFFAOYSA-N 429.567 3.953 0 40 IHAB O=C(CCSc1ccc(Cl)cc1)N1CCC(NS(=O)(=O)c2ccccc2)CC1 10375325 XAKCEPRWRXAXFE-UHFFFAOYSA-N 439.002 3.792 0 40 IHAB COc1c(Br)cc2oc(C)c(C(=O)OCCN(C)C)c2c1Br 12372290 HSRKBXFZRYZLLG-UHFFFAOYSA-N 435.112 3.993 0 40 IHAB CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(C)cc3)C(=O)N3CCOCC3)cc2c1 12492717 AQILFAOKMWFUMZ-UHFFFAOYSA-N 435.524 3.690 0 40 IHAB Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCC(C)(C)N2CCCCC2)cc1 12541861 FGUUBZZWIVWHLD-UHFFFAOYSA-N 429.586 3.790 0 40 IHAB CCc1ccc(-c2noc(CCC(=O)N[C@@H](c3cccc(OC)c3)c3nccn3C)n2)cc1 12737016 IOWFJJFGMYCROJ-QHCPKHFHSA-N 445.523 3.880 0 40 IHAB CCn1c(CCC(N)=O)nnc1Sc1nc(C)nc2scc(-c3cccs3)c12 12784455 OPZFVLSUDXFVPZ-UHFFFAOYSA-N 430.584 3.909 0 40 IHAB O=C(Nc1nc(CN2CCCC2)cs1)c1nn(-c2ccccc2)c(=O)c2ccccc12 12786226 HUSMSFCAJAUHDI-UHFFFAOYSA-N 431.521 3.690 0 40 IHAB O=C(NC1CCCC1)[C@@H](c1cccnc1)N(Cc1ccccc1F)C(=O)c1csnn1 12871969 UEPXGDDDJVRPDC-HXUWFJFHSA-N 439.516 3.515 0 40 IHAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc2c(s1)-c1ccccc1OC2 12917933 MOQOSBIXPVHHOD-UHFFFAOYSA-N 447.516 3.833 0 40 IHAB Cc1nc2ccc(NC(=O)CCN3C(=O)c4ccccc4N4C(=O)CC[C@]34C)cc2s1 12974352 BYBOFAFSMMXPRD-HSZRJFAPSA-N 434.521 3.932 0 40 IHAB O=C(CCC(=O)c1ccc2c(c1)CCCC2)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 13022692 YHVIWYAEOREMQQ-DEOSSOPVSA-N 438.543 3.857 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)NCc2ccc(F)cc2)c1 13040608 SFDRNIZKXKQYNL-UHFFFAOYSA-N 447.576 3.777 0 40 IHAB COc1cc2oc(=O)c(CC(=O)Nc3cc(OC)c(OC)c(OC)c3)c(C)c2cc1Cl 13624767 HARVTSGNAQEDBF-UHFFFAOYSA-N 447.871 3.970 0 40 IHAB O=C(NCCNC(=O)c1ccc(F)cc1F)c1ccc(NC(=O)c2ccc(F)cc2)cc1 13854925 PPFXOSPLKCYHQW-UHFFFAOYSA-N 441.409 3.516 0 40 IHAB CCOc1ccc(OCCNC(=O)CNC(=O)c2sc3ccccc3c2Cl)cc1 14190565 UULVLLQGXNPXRR-UHFFFAOYSA-N 432.929 3.878 0 40 IHAB CC(C)N(CCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)C(C)C 14661687 VYRXCRGUKKCTDC-UHFFFAOYSA-N 444.041 3.753 0 40 IHAB CCN(CC(=O)NCc1cccs1)C(=O)CSc1ccc(Br)cc1 14867596 ORTJSJUVIVISHA-UHFFFAOYSA-N 427.389 3.768 0 40 IHAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCN(c4ccccc4)CC3)c2)cc1 17358337 WLLWVZBXBWTQDS-UHFFFAOYSA-N 435.549 3.758 0 40 IHAB CO[C@@H]1CCC[C@H](C(=O)N2CCC[C@@H]([C@@H]3C[C@H](C(F)(F)F)n4nc(C)cc4N3)C2)C1 19127553 HRLKIRRGBAJMAK-OBVSXPTNSA-N 428.499 3.923 0 40 IHAB COc1cccc(CN2CCC([C@H](NC(=O)c3ccccn3)c3ccccn3)CC2)c1OC 19567644 WPWZKVIATDVYAR-DEOSSOPVSA-N 446.551 3.877 0 40 IHAB COc1cccc(CN2C(=O)CCc3c(C)nc(CN(C)C(=O)c4ccccc4)nc32)c1 19698681 ANTWXNWMJVDIRA-UHFFFAOYSA-N 430.508 3.545 0 40 IHAB Cc1cc(CCCC(=O)N2CCC[C@H](c3nc(C)c4c(n3)N(C)C(=O)CC4)C2)ccc1F 19741506 FNIDSJNAPJYXDL-IBGZPJMESA-N 438.547 3.870 0 40 IHAB Cc1nc2ccc(C(=O)N3CCC[C@@H](c4ncc(C(=O)N5CCCC5)c(C)n4)C3)cc2s1 19763096 WDKRSSJGVWXBGM-GOSISDBHSA-N 449.580 3.959 0 40 IHAB COC(=O)[C@H](N[C@H]1C2=C(CCCC2)C(=O)N1Cc1ccc(F)cc1)c1cccc(OC)c1 19798066 YAFVFQOVUCDTMT-DHIUTWEWSA-N 438.499 3.877 0 40 IHAB CCC[C@]1(C(=O)OCC)N[C@@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 20150567 OIKYCLFXMWKDDE-UKDJSQQHSA-N 438.499 3.686 0 40 IHAB Cc1c(Cl)cccc1NC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 20236943 OIECOQPBOYGDSD-UHFFFAOYSA-N 431.739 3.816 0 40 IHAB COc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)CC1=O 21607031 MFSKXYPPNCDAOR-GFCCVEGCSA-N 437.279 3.537 0 40 IHAB COc1ccc(-c2nnn3c2nc(O)c2ccc(C(=O)NCCc4ccccc4)cc23)cc1 21867792 KEKXPLGFEVHSBX-UHFFFAOYSA-N 439.475 3.631 0 40 IHAB biogenic COc1cc(OC)c(OC)cc1CNC(=O)NCCc1ccc(Br)s1 22882476 DFYLRCWWCAMJCY-UHFFFAOYSA-N 429.336 3.578 0 40 IHAB O=C(NCC1CCN(Cc2cccs2)CC1)C(=O)Nc1ccc(C(F)(F)F)cc1 23127531 XEUHFXQDQKCCGD-UHFFFAOYSA-N 425.476 3.734 0 40 IHAB CCOc1cc([C@H]2C(C(N)=O)=C(C)N=C3N=NNN32)ccc1OCc1ccccc1Cl 27563790 QJDBEFAMDNAYNF-IBGZPJMESA-N 440.891 3.675 0 40 IHAB Cc1nc(NC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)sc1-c1nccn1C(F)F 29195137 TZXUVZWLBLXVSH-UHFFFAOYSA-N 449.527 3.981 0 40 IHAB CC1=C[C@@H](CNC(=O)CCC(=O)O)[C@H](C(C)C)C[C@H]1CC(=O)NCc1ccc(F)cc1 30880470 FHDBYXVICTYHRM-ZJOUEHCJSA-N 432.536 3.668 0 40 IHAB biogenic,in-vitro Cc1ccc(-c2cc(C(=O)N3CCN(CC(=O)Nc4c(C)cccc4C)CC3)on2)cc1 32911702 JXSJIFQJUHPPLI-UHFFFAOYSA-N 432.524 3.663 0 40 IHAB COc1ccc(-c2nnc3n2[C@@H]2CCCC[C@H]2N(C(=O)CC[C@@H]2CCCO2)C3)cc1OC 36719608 RFXMNLCSUYOOCS-IPMKNSEASA-N 440.544 3.747 0 40 IHAB CC1(C)Cc2c(sc3c2c(N)nc(=O)n3CC(=O)c2ccc(Br)cc2)CO1 40286437 VPBNURCWZLXQMD-UHFFFAOYSA-N 448.342 3.537 0 40 IHAB COc1ccc(-c2nc(CC(=O)NC[C@@H]3CCCN4CCCC[C@@H]34)cs2)cc1OC 43746948 CIGXKYOEWKEYLD-HKUYNNGSSA-N 429.586 3.751 0 40 IHAB biogenic Cc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)N4CCOCC4)cc3c2)cc1 46058720 JPHOKYUBHULGSC-UHFFFAOYSA-N 430.551 3.507 0 40 IHAB NC(=O)c1cn(CC(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)c2ccccc12 48333980 DEHRMBQXEKNHLJ-QFIPXVFZSA-N 437.503 3.717 0 40 IHAB Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)NCCN1C[C@H](C)O[C@H](C)C1 48343357 CELOFCBVDFOGCF-OKILXGFUSA-N 439.387 3.564 0 40 IHAB COCCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3c(C)cccc3C)c2c1=O 48988078 AKJPYASJELKNLD-UHFFFAOYSA-N 430.508 3.767 0 40 IHAB Cc1ccc2c(=O)c(C(=O)Nc3ccc(F)cc3)cn(CC(=O)Nc3ccc(F)cc3)c2n1 49002081 AFEIEDUYYMKPSD-UHFFFAOYSA-N 448.429 3.874 0 40 IHAB CCCOc1ccc(C(=O)N2CCN(c3ccc(NC(N)=S)cc3Cl)CC2)cc1 57354567 WMFHEPUJCXJRGG-UHFFFAOYSA-N 432.977 3.747 0 40 IHAB COc1ccc(NC(=O)Cn2c(=O)n(Cc3ccc(C)c(C)c3)c(=O)c3sccc32)cc1 57426984 DWSORQMATKMWNH-UHFFFAOYSA-N 449.532 3.537 0 40 IHAB Cc1ccc(C(=O)N2CCN(CC(=O)Nc3ccc(Br)cc3F)CC2)cc1C 57486161 JENVVANIUFSBLN-UHFFFAOYSA-N 448.336 3.602 0 40 IHAB COc1cc(OC)c([C@@H]2CC(=O)Nc3c(C(=O)O)cn(-c4ccccc4F)c32)cc1OC 61721007 CMZWJERSTBYWSL-ZDUSSCGKSA-N 440.427 3.815 0 40 IHAB COC(=O)CCNC(=O)/C=C/c1ccc(OCc2ccc(Br)cc2)c(OC)c1 62715766 MIRDXFWMAOMVNS-UXBLZVDNSA-N 448.313 3.729 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1cccc(C(C)=O)c1 68793886 SWTKUVMVFKWMCN-UHFFFAOYSA-N 430.526 3.715 0 40 IHAB O=C(Nc1ccc2oc(-c3cc(F)ccc3Br)nc2c1)C(=O)N1CCCC1 71819793 QRIIMHWVLHKDGS-UHFFFAOYSA-N 432.249 3.957 0 40 IHAB CNc1nc([C@H]2CCCN2C(C)=O)nc2c1CN(Cc1c(C)cc(OC)c(C)c1C)CC2 72372397 JPYWSXVIUUINJI-JOCHJYFZSA-N 437.588 3.694 0 40 IHAB Cc1cc(Nc2ccccn2)cc([C@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)n1 72375028 OGVJVQPPHUYUEF-KRWDZBQOSA-N 427.530 3.702 0 40 IHAB CCc1nnc(Nc2cccc([C@@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)n2)s1 72375983 OHRFIPXSCWGOHW-CQSZACIVSA-N 447.561 3.947 0 40 IHAB Cc1cc(=O)c(O)c(CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)o1 79476953 QFGBIRMTZNQBIG-UHFFFAOYSA-N 426.463 3.839 0 40 IHAB COC(=O)[C@H](c1cc(F)c(F)c(F)c1)N(C)C(=O)c1cccc(Cn2nc(C)cc2C)c1 84104840 LSXCSAIUDTWBNY-NRFANRHFSA-N 445.441 3.952 0 40 IHAB Cc1cc(S(=O)(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)sc1C(=O)O 96005696 SWBJHUYCYAVXFT-UHFFFAOYSA-N 431.417 3.760 0 40 IHAB O=C1C[C@@H](N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)C(=O)N1c1ccc(Cl)cc1 100113778 RLPUYXILZFBOJW-WWKNUYBVSA-N 427.976 3.558 0 40 IHAB COCCn1/c(=N/C(=O)c2ccc3c(c2)OCCO3)sc2cc(Br)ccc21 100872549 LGUKILDMNVBFID-VZCXRCSSSA-N 449.326 3.624 0 40 IHAB COC(=O)Cn1/c(=N/C(=O)c2ccc(C(=O)c3ccccc3)cc2)sc2cc(F)ccc21 100876422 YHYJDAAJMBNWAU-LCUIJRPUSA-N 448.475 3.987 0 40 IHAB CCCn1/c(=N/C(=O)c2nc3ccccc3s2)sc2cc(S(C)(=O)=O)ccc21 101061401 LQRYOBYROQIPGD-VZCXRCSSSA-N 431.564 3.867 0 40 IHAB C[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 102085733 IOMNXXYDYIJDSE-MACSQQGQSA-N 438.833 3.739 0 40 IHAB COc1ccc(C)cc1NC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1C 107708289 FYFRDTVBHGHAIT-UHFFFAOYSA-N 446.569 3.941 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)NC(C(C)C)C(C)C)c2ccccc2OC)cc1 113937763 KUOWNBIPDVPWHZ-UHFFFAOYSA-N 448.585 3.696 0 40 IHAB COC(=O)c1cn(C(=O)c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)c2ccccc12 222630103 FUNNXNUNYIUTMJ-UHFFFAOYSA-N 440.521 3.537 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCCSCc1ccccc1F)c1ccccc1F 222658939 YAELVRHBGODSMY-UHFFFAOYSA-N 442.553 3.561 0 40 IHAB COc1ccc(CNC(=O)[C@H](C)N(Cc2ccc(OC)cc2)C(=O)Cc2ccccc2)cc1 222989177 RPUBQVVIPADZSG-FQEVSTJZSA-N 446.547 3.980 0 40 IHAB O=C(NCCCO)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 223205222 PYUUSWXDVMDSJT-RUZDIDTESA-N 448.538 3.507 0 40 IHAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2nnc(SCc3ccccc3)s2)c1 223873205 XFTSCOOXPGTXSJ-UHFFFAOYSA-N 435.552 3.726 0 40 IHAB COc1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)c(OC)c1 224082041 YPDBMLLKOFRKJI-UHFFFAOYSA-N 440.521 3.743 0 40 IHAB CCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc(OC)cc1 224518483 LYVHJKVHZIHBPQ-JOCHJYFZSA-N 444.597 3.881 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCCc1ccc(Cl)cc1)c1ccc(F)cc1F 224811302 ALCQVHUERVTSNA-UHFFFAOYSA-N 430.904 3.523 0 40 IHAB COCCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1cc(OC)ccc1OC 224834171 OFBBKAWOVVLDPG-FGZHOGPDSA-N 438.553 3.724 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N2c3ccccc3C[C@@H]2C)cc1Cl 226067320 STJWNJVDNZOSOG-HNNXBMFYSA-N 436.961 3.727 0 40 IHAB C[C@H]1CN(C(=S)S[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)C[C@@H](C)O1 227003335 MOKVWULACIIHPM-RBZYPMLTSA-N 433.382 3.753 0 40 IHAB Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCC[C@H]4C)nc(O)c32)c(Cl)c1 253570903 OFTKXXQZAMJWCZ-CHWSQXEVSA-N 429.908 3.587 0 40 IHAB COc1cccc(Cc2cnc([C@H]3CCCN(C(=O)CN(C)Cc4ccccn4)C3)o2)c1 257200916 AFILEJHEACQJAO-FQEVSTJZSA-N 434.540 3.507 0 40 IHAB CNC(=O)[C@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 257218838 DEOOGSFUVJZARF-AREMUKBSSA-N 444.535 3.592 0 40 IHAB NC(=O)CC1(COc2ccc(Cl)cc2)CCN(C(=O)CCc2ccccc2F)CC1 257248948 JFYDIDMZUFMUGO-UHFFFAOYSA-N 432.923 3.975 0 40 IHAB COc1cccc(C(=O)N2CCC(COc3ccc(Cl)c(C)c3)(CC(N)=O)CC2)c1 257280333 OKLCFHHSVXPETG-UHFFFAOYSA-N 430.932 3.834 0 40 IHAB COc1cccc(-c2ccc3nc([C@H]4CCCN(C(=O)c5cc(C)on5)C4)nn3c2)c1OC 306135210 OLBWDEDNOHLTFG-KRWDZBQOSA-N 447.495 3.730 0 40 IHAB CCCOc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O 408600962 HVBIGAFVXMHWTF-VXLYETTFSA-N 440.477 3.879 0 40 IHAB Cc1cc(NC(=O)COC(=O)CCC(=O)Nc2ccccc2C)ccc1Br 408663749 NGPVQZWAQZIJJT-UHFFFAOYSA-N 433.302 3.967 0 40 IHAB CCOC(=O)CN1C(=O)S/C(=C/c2cc(Cl)c(OC)c(Br)c2)C1=O 408916489 DHIDLEWBGAMMCL-IZZDOVSWSA-N 434.695 3.711 0 40 IHAB Cc1[nH]nc2ncc(C(=O)N[C@H](C)c3ccccc3NS(=O)(=O)c3cccs3)cc12 533609621 KYUZUQYCYKSFJO-GFCCVEGCSA-N 441.538 3.620 0 40 IHAB CN1Cc2ccccc2[C@@H](NC(=O)N2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)C1 533849988 QKJGIRNWVDEJLX-JTSKRJEESA-N 439.535 3.556 0 40 IHAB CC(=O)N1CCc2ccc(S(=O)(=O)N3C[C@H](c4ccccc4)c4ccccc43)cc2CC1 570266902 QLJWYLOUDGPACI-RUZDIDTESA-N 446.572 3.975 0 40 IHAB COc1ccccc1CN(C[C@@H]1CCCO1)c1nnc(-c2cccc(OC)c2OC)n1C 570821998 FYJWAWURKMTHFU-SFHVURJKSA-N 438.528 3.694 0 40 IHAB Cc1ccc(OCC2(O)CCN(Cc3cccc(OCCn4ccnc4C)c3)CC2)cc1 585274236 XUQUQUSQQNFZLW-UHFFFAOYSA-N 435.568 3.985 0 40 IHAB C[C@@H]1COc2ccccc2CCCCC2(CCN(C(=O)Cc3cccnc3)CC2)C(=O)N1 643572035 ZFZBPFDZLINTIP-HXUWFJFHSA-N 435.568 3.543 0 40 IHAB C[C@@H]1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(CC(F)(F)F)c2)c1 682465815 SRFDVYLGKXIVQP-CYBMUJFWSA-N 441.429 3.650 0 40 IHAB Cc1noc(-c2ccc(N3CCC[C@H](C(=O)NCc4ccccc4C(F)(F)F)C3)nc2)n1 888107103 MATOHBYXCRKOQA-KRWDZBQOSA-N 445.445 3.992 0 40 IHAB CCC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1cc2ccc(C)cc2n2nnnc12 1367348 WJZHVJLRXZTJCF-UHFFFAOYSA-N 433.512 3.584 0 40 IHAB O=C([C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCC(Cc2ccccc2)CC1 1458425 LEMUJQKQJCOLGK-NRFANRHFSA-N 444.572 3.708 0 40 IHAB Cc1ccc(S(=O)(=O)NCCC(=O)NCCc2ccc(Cl)cc2Cl)cc1C 2646557 HSJAHGLCSQDCPM-UHFFFAOYSA-N 429.369 3.638 0 40 IHAB Cc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)s2)cc1 3227472 UMKVLNXDRQKFQM-UHFFFAOYSA-N 442.566 3.940 0 40 IHAB Cc1cc(=O)oc2cc(OCC(=O)OCC(=O)Nc3cccc(Cl)c3Cl)ccc12 3275568 RCKHMZNKTKAQLZ-UHFFFAOYSA-N 436.247 3.969 0 40 IHAB COc1ccc(NC(=O)COc2ccccc2)cc1NS(=O)(=O)c1ccc(F)cc1 3334840 ZCWHKJCXGSDOPI-UHFFFAOYSA-N 430.457 3.653 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(N2CCCC2=O)cc1 3357090 COGJAZDFZGOTPE-UHFFFAOYSA-N 441.553 3.630 0 40 IHAB CCc1cccc(CC)c1NC(=O)COC(=O)CCc1cc(OC)c(OC)c(OC)c1 4863520 ZMTCQOGUGPENQY-UHFFFAOYSA-N 429.513 3.952 0 40 IHAB CCn1c(CN2CCCCCC2=O)nnc1SCC(=O)c1cc(C)n(C2CC2)c1C 5538625 YVMQVPARSGULFT-UHFFFAOYSA-N 429.590 3.929 0 40 IHAB CC[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(C(=O)OC(C)C)cc2)C1)C(=O)c1ccccc1 8383787 KZYPVTMXUKTQFQ-CTNGQTDRSA-N 437.492 3.809 0 40 IHAB COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1 9127319 NTGZWUJAJTXNIT-UHFFFAOYSA-N 436.839 3.627 0 40 IHAB CN(Cc1ccc(Br)cc1)Cc1cc(=O)n2cc(Br)ccc2n1 9155505 CDRDIVWNDQMXOR-UHFFFAOYSA-N 437.135 3.852 0 40 IHAB Cc1c(C)c2ccc(O[C@H](C)C(=O)NC3CCN(Cc4ccccc4)CC3)cc2oc1=O 9187403 YCHZXHRQRLSWIZ-LJQANCHMSA-N 434.536 3.958 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCCC2)Cc2ccccc2)cc1Cl 9193462 OHYPVRCYGAUVIG-UHFFFAOYSA-N 436.961 3.552 0 40 IHAB CCc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)sc1C 9497710 VBLBAMDWKBNPDX-UHFFFAOYSA-N 446.516 3.784 0 40 IHAB Cc1ccc(Cn2c(=O)c3c(nc4n3CCCN4c3cc(Cl)ccc3C)n(C)c2=O)cc1 9519189 CUAGKIWFCYTJBV-UHFFFAOYSA-N 449.942 3.757 0 40 IHAB CCOc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccc(NC(C)=O)cc3)n2C)cc1 9833506 ZDKAALZAQLFIOW-CQSZACIVSA-N 439.541 3.959 0 40 IHAB CCN(Cc1ccc2c(c1)OCO2)C(=O)CSc1ncnc2c1cnn2-c1ccccc1 9875988 OJXRDZXSQLNPKN-UHFFFAOYSA-N 447.520 3.685 0 40 IHAB CC(C)CN(C(=O)Cc1ccc(-c2ccccc2)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 9956075 KHCSRURUWZFVKM-UHFFFAOYSA-N 448.567 3.674 0 40 IHAB CCCNS(=O)(=O)c1cc(C(=O)Nc2ccc(OCC)cc2)ccc1N1CCCC1 10009895 QZGOOQGWTZFLFK-UHFFFAOYSA-N 431.558 3.626 0 40 IHAB COc1ccc(N([C@H](C)C(=O)Nc2ccccc2SC)S(C)(=O)=O)cc1Cl 10334859 SAXTVYVWSSHXOX-GFCCVEGCSA-N 428.963 3.864 0 40 IHAB CC(=O)Nc1ccc(-c2csc(NC(=O)[C@H]3Cc4ccccc4C(=O)O3)n2)c(F)c1 10993918 MQRCFYYUSJMVDV-GOSISDBHSA-N 425.441 3.628 0 40 IHAB Cc1cccc(C(C)C)c1NC(=O)CN(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 11068694 RGBKZUQYPCVAJS-SFHVURJKSA-N 436.556 3.753 0 40 IHAB CCOc1ccccc1N1C[C@H](C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)CC1=O 11141244 HNYSCOSZMXAPHJ-OAHLLOKOSA-N 441.915 3.857 0 40 IHAB Cc1ccc(-n2nnnc2SCCS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 11306919 XINIKIRQQBEPJJ-UHFFFAOYSA-N 429.354 3.844 0 40 IHAB COc1cccc(N2CCN(c3ncc(-c4cnccn4)c(-c4ccoc4C)n3)CC2)c1 12222840 XBPHHCAFJPRUDV-UHFFFAOYSA-N 428.496 3.837 0 40 IHAB CCOC(=O)N1CCN(C(=O)c2cc(-c3ccc(OC)c(OC)c3)nc3ccccc23)CC1 12311217 NGWILXMBYASIRI-UHFFFAOYSA-N 449.507 3.833 0 40 IHAB 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CCCNC(=O)CN1CCC(Oc2ncnc3c2c(C)c(C)n3C2CCCCC2)CC1 19503631 AENCYMIVRCQBRD-UHFFFAOYSA-N 427.593 3.923 0 40 IHAB COc1ccc([C@H]2CN(S(C)(=O)=O)[C@@H]3CCN(Cc4ccccc4Cl)C[C@H]23)cc1 19557753 YUAIJQDUJJZUMQ-KCZVDYSFSA-N 434.989 3.598 0 40 IHAB COc1ccc(CCCC(=O)N2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)c(C)c1 19570557 IFSUWPUSSIVZAB-YSIASYRMSA-N 447.530 3.847 0 40 IHAB Cc1cc(N2CC[C@H](c3nc(C)c4c(n3)N(Cc3cccc(F)c3)C(=O)CC4)C2)nc(C)n1 19738880 ZEXHTJDKNHOIMP-IBGZPJMESA-N 446.530 3.804 0 40 IHAB Cc1nc([C@@H]2CCCN(C(=O)C(c3ccccc3)c3ccccc3)C2)nc2c1CC(=O)N2C 19744085 ASNIPQBPHCNONF-OAQYLSRUSA-N 440.547 3.842 0 40 IHAB COCCNC(=O)c1cc([C@@H]2CCN(C(=O)c3cccc(C)c3OC)C2)nc2ccccc12 19761868 WCCZQNWXNVPUDF-GOSISDBHSA-N 447.535 3.558 0 40 IHAB CCn1cc(CN2CCO[C@H](c3cc(C(=O)Nc4nccs4)c4ccccc4n3)C2)cn1 19762917 SUNBMFQSAOOOJE-NRFANRHFSA-N 448.552 3.734 0 40 IHAB CSc1cccc(N2C[C@@H](c3nc4ccccc4n3CCN3CCOCC3)CC2=O)c1 19939653 LZDBGKKTSDQKDB-SFHVURJKSA-N 436.581 3.611 0 40 IHAB 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3.626 0 40 IHAB COc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)cc1OC 223930045 SHIIXMBAYWQCDT-UHFFFAOYSA-N 440.521 3.777 0 40 IHAB O=C(O)CN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(Br)cc1 224736605 CKRPGTXLVDYBBA-UHFFFAOYSA-N 438.221 3.748 0 40 IHAB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(C)cc1 224908021 HICXQGKQMLLQRQ-QHCPKHFHSA-N 426.557 3.962 0 40 IHAB COc1ccc(N2CCC[C@@](C)(C(=O)Nc3ccc(OC(C)C)cc3)S2(=O)=O)cc1 225951894 BYTIJWHYKMVTEB-QFIPXVFZSA-N 432.542 3.810 0 40 IHAB CCC[C@]1(C(=O)OCC)N[C@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 245230258 OIKYCLFXMWKDDE-HULNYRCFSA-N 438.499 3.686 0 40 IHAB CCCN1CCN(C(=O)c2cc(C(C)C)n[nH]2)[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O 257276084 NSGQTHYJBHBAAQ-XMMPIXPASA-N 445.567 3.901 0 40 IHAB Cc1cccc(Nc2cc(C)nc(C3CCN(C(=O)[C@H](C)CN4CCOCC4)CC3)c2)n1 257292123 QKCRUUDQUWXDCI-GOSISDBHSA-N 437.588 3.511 0 40 IHAB Cc1cc(Cc2cccc(C(F)(F)F)c2)cc([C@@H]2CN(C(=O)c3nccn3C)CCO2)n1 257335332 YJSYXPBHMTZWRA-FQEVSTJZSA-N 444.457 3.947 0 40 IHAB COc1cccc(-c2ccc3nc([C@H]4CCCN(C(=O)Cc5ccco5)C4)nn3c2)c1OC 306144620 ZKHOAZIPMIGHFF-SFHVURJKSA-N 446.507 3.955 0 40 IHAB CC(=O)c1cccc(NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c1 408614138 YUSJKZRVBIFYHP-UHFFFAOYSA-N 429.325 3.596 0 40 IHAB Cc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)CCC4=O)c(C)c3)CC2=O)cc1Cl 408639855 HIEXGAYKIFPDPI-OAHLLOKOSA-N 440.883 3.569 0 40 IHAB CC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Br)cc2)cc1 408660640 BMSXPRJIJRIBJS-UHFFFAOYSA-N 447.285 3.552 0 40 IHAB Cc1cc(C)cc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)c2)c1 408661226 OKUSQOCWBULAEB-OYRHEFFESA-N 432.476 3.555 0 40 IHAB CCc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4C[C@@H](C)CC[C@H]4C3=O)c2)cc1 408662200 NHRSOLVBLQVZRY-USCONSEESA-N 448.519 3.970 0 40 IHAB COc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(Br)c(C)c2)cc1 408669323 VVUFPOQWZFVDCH-UHFFFAOYSA-N 449.301 3.667 0 40 IHAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@H]3C)C2=O)cc(Cl)c1O 409202590 RTLIALZBYYOOJS-YUSFRKCESA-N 438.933 3.882 0 40 IHAB Cn1cc(NC(=O)c2ccn(-c3ccc(Cl)cc3Cl)n2)cc(Br)c1=O 539032575 YUSOWKODELMERG-UHFFFAOYSA-N 442.100 3.893 0 40 IHAB COc1ccc(Nc2nc(C(=O)N[C@@H](CN3CCCC3=O)c3ccccc3)cs2)cc1 607046942 GNCHVBHPPSTOLL-IBGZPJMESA-N 436.537 3.989 0 40 IHAB CC(C)N1CC(=O)NCCCCCOc2ccc(CCC(=O)NC3CCCC3)cc2C1 643576371 ZLOFUQHAXLDROU-UHFFFAOYSA-N 429.605 3.567 0 40 IHAB Cc1ccc(-c2noc([C@H](C)NC(=O)c3c[nH]c4cc(F)c(F)cc4c3=O)n2)cc1F 1622862629 QCNPJTVBRARCTE-JTQLQIEISA-N 428.370 3.795 0 40 IHAB COc1cccc(-c2noc([C@@H]3CCCN(S(=O)(=O)c4cccc(Cl)c4)C3)n2)c1 1360286 KMPGGFYXJZXDFQ-OAHLLOKOSA-N 433.917 3.967 0 40 IHAB CCOCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2ccccc2C)C1=O 2108455 NJCYRDFGCFLQBR-DHLKQENFSA-N 431.536 3.588 0 40 IHAB biogenic CCOc1ccccc1C(=O)NN1C(=O)c2ccccc2N[C@H]1c1ccc2c(c1)OCO2 2746691 STYJXIJSLYDVDF-JOCHJYFZSA-N 431.448 3.726 0 40 IHAB CCOC(=O)[C@@](NC(=O)c1ccccc1F)(C(F)(F)F)P(=O)(OCC)OCC 3103244 CZVHWVYOCJZFLZ-HNNXBMFYSA-N 429.303 3.643 0 40 IHAB CCOC(=O)C1=C(C)N=C2S[C@H](CC)C(=O)N2[C@@H]1c1ccc(OC(C)=O)c(OCC)c1 3636705 XVSHPUHKOCXVDA-IEBWSBKVSA-N 446.525 3.612 0 40 IHAB CCCCOc1ccc(-c2nnn(CC(=O)Nc3ccccc3Br)n2)cc1 6481130 RXFFSTMEOWRIBK-UHFFFAOYSA-N 430.306 3.920 0 40 IHAB CCCOC(=O)c1ccc(N2C[C@H](C(=O)O[C@@H](C)C(=O)c3ccc(C)cc3)CC2=O)cc1 8383831 HKFWLTJYYSMFPT-FXAWDEMLSA-N 437.492 3.729 0 40 IHAB C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NCCSc2ccccc2)C1=O 8718623 OMQODYDBSIEJBE-DEOSSOPVSA-N 433.533 3.515 0 40 IHAB C[C@H](NC(=O)CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)c1cccc2ccccc12 8771004 BMUNLFIZXPIRBM-IZHWHUGBSA-N 433.533 3.862 0 40 IHAB CCOc1ccc([C@@H]2Nn3c(CC)nnc3S[C@@H]2C(=O)Nc2ccccc2F)cc1 9197489 UDRVOIRHPWJGGO-OALUTQOASA-N 427.505 3.776 0 40 IHAB C[C@@H](Oc1ccccc1C(=O)NCc1ccccc1)C(=O)N1CCN(c2ccccc2)CC1 9322253 CCHLZYKPQXROME-OAQYLSRUSA-N 443.547 3.733 0 40 IHAB COc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)cc1C(=O)N1CCCC1 9426084 BNMZSDUNQOXWJC-UHFFFAOYSA-N 443.352 3.717 0 40 IHAB CCOc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3Cl)C2=O)cc1 9507625 LOMPVVUCWKFKFW-FQEVSTJZSA-N 436.295 3.798 0 40 IHAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc(Cl)c1OC 9973273 ZUCMRKFYUQNJQV-WJDWOHSUSA-N 438.933 3.796 0 40 IHAB CCc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)c(Cl)c2)C1 9974650 UWPHOQSIYVGSGV-INIZCTEOSA-N 436.961 3.950 0 40 IHAB CCOC(=O)c1sc2nc(C)nc(N3CCN(c4ccccc4OC)CC3)c2c1C 10013047 UNHXQDKIXNQNAR-UHFFFAOYSA-N 426.542 3.820 0 40 IHAB NC(=O)c1ccc(C(F)(F)F)n(CC(=O)Nc2ccccc2Sc2ccccc2)c1=O 10910613 SSDWYSYQPICWMR-UHFFFAOYSA-N 447.438 3.756 0 40 IHAB CCCOc1c(Br)cc([C@@H]2NC(=S)NC(C)=C2C(=O)OC)cc1OCC 11213236 MFGDMBVYBPQFGK-HNNXBMFYSA-N 443.363 3.602 0 40 IHAB C[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 11421188 KGJGXAZJLKZYBH-SFHVURJKSA-N 440.515 3.849 0 40 IHAB CCCCN(C)C(=O)Cn1c([C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)nc2ccccc21 12062184 ZAXCZVBFQJSYQS-LJQANCHMSA-N 436.531 3.950 0 40 IHAB Cc1cc(-c2cnc(N(C)C)nc2CN(Cc2ccccc2)C(=O)c2ccccn2)on1 12182333 MEPQKCUMHRTYBS-UHFFFAOYSA-N 428.496 3.744 0 40 IHAB CNC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(I)cc1 12416627 VHGTVAZCSAJJRB-KRWDZBQOSA-N 444.276 3.676 0 40 IHAB O=C(NC1CC1)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1Cl 12525989 IXYBSXHABWEZDB-UHFFFAOYSA-N 429.723 3.796 0 40 IHAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1[C@H]1Nc2ccccc2C(=O)N1C1CCCC1 12533713 PFRRUZKJEIPUOL-QRWLVFNGSA-N 448.976 3.714 0 40 IHAB CCn1c(SCC(=O)Nc2cc(Cl)ccc2-n2cncn2)nnc1-c1ccoc1C 12569393 VMJJEIBRLOQXRS-UHFFFAOYSA-N 443.920 3.831 0 40 IHAB C[C@H]1CCCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 12769145 WJCBDDLUXNNNMU-KBXCAEBGSA-N 448.507 3.681 0 40 IHAB O=S(=O)(c1ccccc1)N1CCN(Cc2csc(-c3ccc(Cl)cc3)n2)CC1 13109260 IHEPVWQVZNJMQM-UHFFFAOYSA-N 433.986 3.970 0 40 IHAB NC(=O)N[C@@H](CC(=O)NCc1ccc2c(c1)OCO2)c1cccc(Oc2ccccc2)c1 13133895 QHAMEASUNXBXMN-FQEVSTJZSA-N 433.464 3.624 0 40 IHAB COc1ccc(CNC(=O)CSc2nnc(-c3cccnc3)n2Cc2ccccc2)cc1 13513331 WHWDCUYAXIVVDI-UHFFFAOYSA-N 445.548 3.806 0 40 IHAB COc1ccc2[nH]cc(CCNC(=O)CN3C(=O)S/C(=C\c4ccccc4)C3=O)c2c1 13576124 ALIDMXKPBWHMEW-JAIQZWGSSA-N 435.505 3.572 0 40 IHAB C[C@H]1C[C@H](C)CN(CCCNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)C1 13648202 CAJUGKHOCZYFGS-OALUTQOASA-N 429.586 3.585 0 40 IHAB Cc1ccc(C)c2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=S)NCc3ccco3)cc12 13658204 HSIFOOBFEWXMTK-IBGZPJMESA-N 425.554 3.794 0 40 IHAB C[C@H]1Cc2ccccc2N1C(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 13674487 GJECTVZISZRYOK-GAJHUEQPSA-N 434.517 3.621 0 40 IHAB CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(CN2CCOCC2)cc1 14121392 IKIGBUSYGJYBBH-JOCHJYFZSA-N 443.975 3.955 0 40 IHAB COc1cc(OC)c(C2=CCN(C(=O)[C@H]3Oc4ccccc4O[C@H]3C)CC2)c(OC)c1 14350001 MZAPHFJOJWIQMG-WNSKOXEYSA-N 425.481 3.557 0 40 IHAB COc1ccccc1CNC(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 14399040 DNGQSJLBBVKFNA-UHFFFAOYSA-N 445.368 3.865 0 40 IHAB COc1ccc(-c2nnc(SCC(=O)Nc3cccc(OC)c3)n2-n2cccc2)cc1 15881904 VRHAZZDUCGRRKJ-UHFFFAOYSA-N 435.509 3.806 0 40 IHAB CCOC(=O)c1c(NC(=O)[C@H](C)OC(=O)Cc2ccc(O)cc2)sc2c1CCCC2 17125292 ALFMGPVKHURIMO-ZDUSSCGKSA-N 431.510 3.622 0 40 IHAB COC(=O)c1cc(NC(=O)CSc2ncc(-c3ccc(F)cc3)[nH]2)cc(C(=O)OC)c1 17749718 UCEZAOZKTBCIQB-UHFFFAOYSA-N 443.456 3.520 0 40 IHAB CN1CCN(Cc2nc3ccccc3n2C)C[C@@H](Cc2cccc(-c3cccnc3)c2)C1=O 19289950 FIXLCGRZZPTXSB-HSZRJFAPSA-N 439.563 3.768 0 40 IHAB COc1ccc(-c2cnc(N(C)C)nc2[C@H]2CCCCN2C(=O)Cn2nc(C)cc2C)cc1 19694300 OPTXTIBQJMKDDC-JOCHJYFZSA-N 448.571 3.785 0 40 IHAB Cc1nonc1CC(=O)N1CCC(c2nc(N(C)C)ncc2-c2cccc(Cl)c2)CC1 19695097 CZEGXLAXMSJJLA-UHFFFAOYSA-N 440.935 3.503 0 40 IHAB CNc1cc(CN(C)C(C)=O)nc([C@H]2CCCN(C(=O)c3oc4ccc(C)cc4c3C)C2)n1 19709612 GGUACSAUWNUREC-SFHVURJKSA-N 449.555 3.879 0 40 IHAB O=C1CCCC[C@@H]2[C@H](C[C@@H](Cc3cccc(F)c3)N2C(=O)c2[nH]nc3c2CCCCC3)N1 19713938 YKMDJPWSYYXXQE-BVYCBKJFSA-N 438.547 3.702 0 40 IHAB COc1ccccc1NC(=O)c1cnc([C@H]2CCCCN2C(=O)c2ccncc2)nc1C 19753408 CVGOXVLFOJOMAV-HXUWFJFHSA-N 431.496 3.808 0 40 IHAB CNc1cc(CN(C)Cc2c(C)cc(OC)c(C)c2C)nc([C@@H]2CCCN2C(C)=O)n1 19759982 ZMHWFUAWDDRSSZ-NRFANRHFSA-N 425.577 3.768 0 40 IHAB COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ncc(Br)cc1Br 20170577 SGBUNIAJGPURHU-CQSZACIVSA-N 444.079 3.905 0 40 IHAB CC[C@@]1(C)Cc2c(c(N3CCOCC3)nc3sc4c(N5CCCC5)ncnc4c23)CO1 20325873 MJTBJKUFKZPBMA-QHCPKHFHSA-N 439.585 3.918 0 40 IHAB O=C(CN1C(=O)[C@@]2(SCC(=O)N2c2ccccc2)c2ccccc21)Nc1ccccc1F 20573862 VNPVGDGTQDHVBV-DEOSSOPVSA-N 447.491 3.744 0 40 IHAB Cc1cc(S(=O)(=O)NC[C@H](c2cccn2C)N2CCc3ccccc3C2)ccc1F 21153761 NXUCYBHURCSQPW-HSZRJFAPSA-N 427.545 3.551 0 40 IHAB O=C(CCOc1ccccc1)N(CCN1CCOCC1)c1nc2c(F)cccc2s1 22998303 OKDAETPNNSNGFI-UHFFFAOYSA-N 429.517 3.570 0 40 IHAB CC(C)n1c(=O)c2ccccc2n(Cc2nc(-c3cccc(Br)c3)no2)c1=O 23126704 NUPPRNYZRYNHSD-UHFFFAOYSA-N 441.285 3.605 0 40 IHAB O=C(CN1CCN(C(=O)c2ccccc2)CC1)N[C@H](c1ccc(F)cc1)c1cccs1 26852048 LSHHAKPSLGKHTM-HSZRJFAPSA-N 437.540 3.551 0 40 IHAB O=C(Cn1nc(C(F)(F)F)c(Br)c1C1CC1)NCc1ccc2c(c1)OCO2 27937567 RYAJMLDFFWZFMV-UHFFFAOYSA-N 446.223 3.587 0 40 IHAB COc1ccc([C@@H](CNC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)N(C)C)cc1 28932335 ZOMANXYAYBGNLA-MJGOQNOKSA-N 433.961 3.571 0 40 IHAB C[C@@H]1c2cccn2CCN1C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 30797270 HYDIQJOOZIKIQC-MRXNPFEDSA-N 435.977 3.923 0 40 IHAB CCOC(=O)[C@H](NC(=O)c1cc(F)cc(F)c1)c1c(C)nn(-c2ccc(F)cc2)c1C 32753611 DOERRGLATTVCFS-HXUWFJFHSA-N 431.414 3.941 0 40 IHAB O=C(CSc1nnc2c(n1)[nH]c1ccc(Br)cc12)Nc1cccc(O)c1 35289270 FWACCEJMKGOBIF-UHFFFAOYSA-N 430.287 3.705 0 40 IHAB CCCn1c(=O)c2sccc2n2c(CCC(=O)Nc3ccc(OC)c(Cl)c3)nnc12 35528655 ZJHDWHHLQTVJKJ-UHFFFAOYSA-N 445.932 3.749 0 40 IHAB CC(C)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4[C@@H](C)CCC[C@H]4C)[nH]c(=O)c32)cc1 38828378 MFQIXWXKSRYDIE-DAYGRLMNSA-N 437.544 3.725 0 40 IHAB CCN1CCC[C@@H]1CNC(=O)c1cc2ccccc2cc1NS(=O)(=O)c1cccs1 49612989 VLWIXOBSKWNXCX-GOSISDBHSA-N 443.594 3.916 0 40 IHAB O=c1c(Cl)c(N2CCN(Cc3ccccc3)CC2)cnn1Cc1ccc(Cl)cc1 57140284 XDNVBJWXCJFBRH-UHFFFAOYSA-N 429.351 3.921 0 40 IHAB Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)c3cccnc3SC(C)C)C2)cc1 58203018 LGMJWQNNEWHENK-SFHVURJKSA-N 447.626 3.721 0 40 IHAB CCOC(=O)c1sc(NC(=O)CN(C)[C@H](c2cccc(F)c2)c2cnn(C)c2)cc1C 72282604 GZDLIOYFMGPUDV-HXUWFJFHSA-N 444.532 3.766 0 40 IHAB Cc1nc([C@@H]2CCCN2C(=O)CC2(O)CCCCC2)nc2c1CCCN2Cc1ccccn1 72372868 IFJJEQNCWWIFMU-QFIPXVFZSA-N 449.599 3.882 0 40 IHAB Nc1ncc(-c2cccc(C(F)(F)F)c2)c([C@@H]2CCCCN2C(=O)CN2CCCC2)n1 72377099 ATOAKSXYYHSQPV-SFHVURJKSA-N 433.478 3.894 0 40 IHAB C[C@H]1CCc2noc(C3CCN(C(=O)Cn4nc(C(F)(F)F)c5c4CCC5)CC3)c2C1 72392446 RJJNOSAHOPGBNJ-ZDUSSCGKSA-N 436.478 3.910 0 40 IHAB C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1c1ccc(S(C)(=O)=O)cc1S(C)(=O)=O 79096276 IDWHBQNFPRCORF-LLVKDONJSA-N 448.393 3.924 0 40 IHAB CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)sc2cccc(Cl)c21 100821299 AELDSPCDYZNADH-XDOYNYLZSA-N 449.985 3.902 0 40 IHAB COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccccc2)ccc1O 102712687 KGEQGIAXPBGPBH-BHIFYINESA-N 434.423 3.591 0 40 IHAB CCOC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1 113876768 WHLYMSLZTSPFMI-UHFFFAOYSA-N 432.723 3.861 0 40 IHAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)COc1cc(OC)cc(OC)c1 222445049 DHGMSJWKRAYKJI-QHCPKHFHSA-N 442.556 3.723 0 40 IHAB CCCCNC(=O)c1ccccc1NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1Cl 222516624 WKAPARWHAKGURV-UHFFFAOYSA-N 437.949 3.518 0 40 IHAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1C 222541177 AQJSHMYVIRNFSO-HSZRJFAPSA-N 434.511 3.899 0 40 IHAB COc1ccc(CN(C(=O)CCc2ccccc2)[C@H](C)C(=O)NCc2ccncc2)cc1 222994223 JHIXMJGTGVIUTF-HXUWFJFHSA-N 431.536 3.757 0 40 IHAB CC(C)c1ccc(CCCNC(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)cc1 224155802 LEQKSUFVCJZSLE-UHFFFAOYSA-N 437.005 3.974 0 40 IHAB CCN(c1ccc(C(=O)NCCCN2CCC(C)CC2)cc1)S(=O)(=O)c1ccccc1 224363135 TZYKPUVLUGASEQ-UHFFFAOYSA-N 443.613 3.754 0 40 IHAB CC(C)CSc1nnc(NC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)s1 224479803 AGULLPFSUCZFGO-UHFFFAOYSA-N 446.595 3.610 0 40 IHAB CCc1ccc([C@@H](C)NS(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)cc1 225185068 UUTPLHIJNCRHLT-CQSZACIVSA-N 430.555 3.701 0 40 IHAB Cc1cccc(C)c1OCC(=O)N1CCC[C@@H](c2n[nH]cc2C(=O)N2CCCCCC2)C1 257299156 ROYLROVQKQWFQG-HXUWFJFHSA-N 438.572 3.828 0 40 IHAB CCN(CC(=O)N1c2ccccc2C[C@H]1C)S(=O)(=O)c1cc(Cl)ccc1Cl 260749111 SVTVUKIIVNUIKC-CYBMUJFWSA-N 427.353 3.982 0 40 IHAB CC(C)n1nccc1[C@@H]1CN(C(=O)c2ccoc2)C[C@]12CCCN(Cc1cccnc1)C2=O 306133324 MIKPFABJZILRKC-SQJMNOBHSA-N 447.539 3.501 0 40 IHAB CCS(=O)(=O)Nc1ccc(C(=O)NCCSCc2c(F)cccc2Cl)cc1 408700500 GYNMWHJHOVURAG-UHFFFAOYSA-N 430.954 3.904 0 40 IHAB CCc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCc2cccc(C)c2)cc1 408709528 CUXHZBIWWVIPPP-UHFFFAOYSA-N 429.520 3.742 0 40 IHAB Cc1ccsc1/C=C1/SC(=O)N(CC(=O)Nc2ccccc2N2CCOCC2)C1=O 409199232 AGRLJVVVKWXVPQ-LDADJPATSA-N 443.550 3.568 0 40 IHAB COc1cccc2nc(C[C@H]3CN(C(=O)c4cccc(F)c4)CC[C@H]3CC(=O)O)[nH]c12 514289322 QBYZVNGLWAQGFF-HOCLYGCPSA-N 425.460 3.506 0 40 IHAB biogenic,in-vitro O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 556826224 SOOZAQFLUOXIQJ-CEXWTWQISA-N 427.444 3.778 0 40 IHAB CCOc1cccc2c1OCCCCCNC(=O)CN(C(=O)CCCc1ccncc1)C2 643576126 PYIAGYBDKNVXCO-UHFFFAOYSA-N 439.556 3.511 0 40 IHAB CC(C)n1nc(-c2ccccc2)nc1[C@H]1CC[C@@H](O)[C@H](NS(=O)(=O)c2ccccc2)C1 2332241421 DVLIHHAKUPFKPS-CEWLAPEOSA-N 440.569 3.502 0 40 IHAB Cc1ccc2cc(CN(Cc3cccnc3)C(=S)NC[C@H]3CCCO3)c(=O)[nH]c2c1C 1224469 CAPMUHLPUHPQKZ-OAQYLSRUSA-N 436.581 3.596 0 40 IHAB Cc1csc(-c2coc3cc(OC(=O)CNC(=O)OC(C)(C)C)cc(C)c3c2=O)n1 1891743 QUCCNSJLJIXWFV-UHFFFAOYSA-N 430.482 3.963 0 40 IHAB COc1cc(/C=C/C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)cc(OC)c1OC 1941593 XCIHUDCZSFDGFJ-CMDGGOBGSA-N 439.386 3.926 0 40 IHAB COc1ccccc1[C@H]1C[C@@H](c2ccc(Cl)cc2)Nc2nc(N3C(=O)CCC3=O)nn21 2231595 NQDWLJXYRCCWIN-DLBZAZTESA-N 437.887 3.740 0 40 IHAB O=C(CSC(=S)N1CCCCC1)Nc1ncc2c(n1)C[C@H](c1ccccc1)CC2=O 2435210 HVJDJYQZRDPUMI-INIZCTEOSA-N 440.594 3.832 0 40 IHAB Cc1ccc(Nc2nnc(SCC(=O)Nc3sc4c(c3C(N)=O)CCC4)s2)cc1 2618052 KBTQXSCIENCVIO-UHFFFAOYSA-N 445.595 3.970 0 40 IHAB CC(=O)N(C(C)=O)c1ccc(-c2cnc(-c3ccc(N(C(C)=O)C(C)=O)cc3)nc2)cc1 3146361 XRXAGXSYYSDVFS-UHFFFAOYSA-N 430.464 3.609 0 40 IHAB CC(C)(C)NS(=O)(=O)c1cc(C(=O)OCC(=O)c2c[nH]c3ccccc23)ccc1Cl 3364716 WNBAGSSEQBQRDJ-UHFFFAOYSA-N 448.928 3.938 0 40 IHAB CCCCn1c(S[C@@H](C)C(=O)c2ccc(OC)cc2)nc2cc(S(N)(=O)=O)ccc21 6147919 QIHHNONCRDTKPQ-AWEZNQCLSA-N 447.582 3.856 0 40 IHAB CN(Cc1ccccc1)Cc1cc(C[C@H]2CNCC[C@H]2CC(=O)NC2CCCCC2)no1 8623785 WDMOBNHDQGQOLM-VXKWHMMOSA-N 438.616 3.914 0 40 IHAB biogenic,in-vitro COC[C@@H](C)n1c(C)cc(C(=O)CN2C(=O)N[C@@]3(CCCCc4ccccc43)C2=O)c1C 8719107 YFOLKIGUROWNRM-CRICUBBOSA-N 437.540 3.669 0 40 IHAB CCn1c(SCC(=O)NC(=O)Nc2ccccc2F)nnc1-c1ccc(OC)cc1 8719422 UMJCOONSDJBQLT-UHFFFAOYSA-N 429.477 3.553 0 40 IHAB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nc(SC)nn32)c1OC 9136269 KQKAZTKCPPYEAQ-SFHVURJKSA-N 437.525 3.945 0 40 IHAB O=C(/C=C/c1ccccc1)N(Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 9346105 GPIHVVIEAMQCHJ-YXBWYFRISA-N 434.355 3.678 0 40 IHAB CCN(CC)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1C(F)(F)F 9442230 FGAOSYXTTIGMDM-UHFFFAOYSA-N 444.475 3.778 0 40 IHAB O=C(Nc1ccc(-c2ccccc2)cc1)[C@@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 9446445 LXTZMBHULULCJO-NRFANRHFSA-N 431.517 3.906 0 40 IHAB O=C(CSc1cc(Cl)ccc1Cl)N1CCN(S(=O)(=O)c2ccccc2)CC1 9493515 CONXQLHUMYUJCV-UHFFFAOYSA-N 445.393 3.619 0 40 IHAB COc1ccc(C(=O)N2CCc3sccc3[C@@H]2C)cc1S(=O)(=O)NC1CCCC1 9501483 DYKQUGGFWKXZNS-AWEZNQCLSA-N 434.583 3.737 0 40 IHAB COc1ccc(CCNC(=O)Cc2csc(NC(=O)c3ccc(Cl)cc3)n2)cc1 9627855 IZWOLRQEXHELFU-UHFFFAOYSA-N 429.929 3.959 0 40 IHAB COc1ccc(-n2nnc(-c3nsc(NC(=O)c4ccccc4C)n3)c2C)cc1OC 9638837 GNQQOGXXLJDQNS-UHFFFAOYSA-N 436.497 3.672 0 40 IHAB CCN(CC)CCn1c(=N)n(CC(=O)c2cccc(Br)c2)c2ccccc21 9680336 PHDZJUXLRABRGU-UHFFFAOYSA-N 429.362 3.909 0 40 IHAB COc1cc(/C=C/C(=O)N2CCN(c3ccccn3)CC2)ccc1OCc1c(C)noc1C 9712065 RGMLNXBDVNAHCR-CSKARUKUSA-N 448.523 3.636 0 40 IHAB COc1ccc(C)cc1-n1nnnc1SCC(=O)c1cc(C)n(C[C@H]2CCCO2)c1C 9715916 MSRHWDFYXDXWSU-QGZVFWFLSA-N 441.557 3.552 0 40 IHAB C[C@H](NC(=O)CN1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)c1cc2ccccc2o1 9744996 IOARQVPQIYDATE-INIZCTEOSA-N 449.507 3.689 0 40 IHAB CCOc1ccccc1N1CCN(C(=O)c2ccc(Cn3nnc4ccccc43)cc2)CC1 9847253 PKXCWUHRJHHFOH-UHFFFAOYSA-N 441.535 3.841 0 40 IHAB COc1ccc([C@]2(C)NC(=O)N(Cc3nc(-c4cccs4)oc3C)C2=O)cc1OC 10388493 FPRJHITYCIMSSI-NRFANRHFSA-N 427.482 3.696 0 40 IHAB O=C(CCn1c(=O)oc2ccccc21)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 11765559 MEDQNIHUNSRVBG-UHFFFAOYSA-N 434.521 3.638 0 40 IHAB CCCCc1cc(=O)oc2cc(C)cc(OCC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)c12 11866919 WFOZOWBLYQCZSL-CLOONOSVSA-N 427.541 3.976 0 40 IHAB COCCCn1c(=O)c2ccccc2n2c(SCCOc3ccccc3Cl)nnc12 12046447 QXXPMWSCHKVOND-UHFFFAOYSA-N 444.944 3.905 0 40 IHAB COc1ccc(-c2ccc(SCC(=O)Nc3cccc(NC(C)=O)c3)nn2)cc1OC 12140447 IRAIIBQPYGOBLV-UHFFFAOYSA-N 438.509 3.850 0 40 IHAB Cc1cc(-c2cnc(NC3CC3)nc2C2CCN(C(=O)c3ccn(C(F)F)n3)CC2)on1 12156567 RRUIMPRMXZVERG-UHFFFAOYSA-N 443.458 3.626 0 40 IHAB O=C(NC1CC1)c1cccc(NS(=O)(=O)c2ccc(Br)cc2Cl)c1 12526426 OEGPSGDBYNBCOT-UHFFFAOYSA-N 429.723 3.796 0 40 IHAB CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(OC)c(Br)c1)n2CC(C)C 12531557 FOOINPSAIJBWPI-UHFFFAOYSA-N 449.349 3.781 0 40 IHAB CCCCN1C(=O)C[C@@H](C(=O)N(C)Cc2ccc3c(c2)OCO3)[C@@H]1c1ccc(OC)cc1 12686744 HUHHLGYMPHGKQU-YKSBVNFPSA-N 438.524 3.772 0 40 IHAB CCOC(=O)c1c(CN2C(=O)N[C@@](C)(c3ccc(C)cc3)C2=O)nc2ccccc2c1C 13041273 WVEXLOHTGGHTSU-VWLOTQADSA-N 431.492 3.996 0 40 IHAB COc1cc(/C=C/C(=O)N2CCN(c3ccncc3)CC2)ccc1OCc1c(C)noc1C 13117942 FLUCWELGSPGWCT-FNORWQNLSA-N 448.523 3.636 0 40 IHAB COc1ccc(N([C@@H](C)C(=O)NCCCc2ccc(C)cc2)S(C)(=O)=O)cc1Cl 13673950 ZKDPCMGISSULOL-INIZCTEOSA-N 438.977 3.561 0 40 IHAB Cc1ccc(Cn2cnc3sc4c(c3c2=O)CC[C@@H](NCc2cnc(C)cn2)C4)cc1 14999372 VXAFNRKBQFMKGN-GOSISDBHSA-N 431.565 3.560 0 40 IHAB COc1ccc(C(=O)N[C@H](SC2=NCCS2)C(Cl)(Cl)Cl)cc1OC 15777235 VWKVYERQVJRACN-GFCCVEGCSA-N 429.778 3.966 0 40 IHAB Cc1ccc([C@H](CNC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)N2CCCCC2)o1 15860444 IELHKWNLVCLLIM-IBGZPJMESA-N 437.496 3.971 0 40 IHAB COc1ccc(Cl)cc1NC(=O)CN(C)S(=O)(=O)c1cc(Cl)ccc1Cl 16188120 ZEOJXBOFNAJZSQ-UHFFFAOYSA-N 437.732 3.915 0 40 IHAB Cc1cccc(CSCCNC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)c1 16349369 AXDHDTXFDXPPLJ-UHFFFAOYSA-N 441.018 3.772 0 40 IHAB COc1cc(OC)cc(C(=O)Nc2nc(CC(=O)Nc3ccc(F)c(F)c3)cs2)c1 16943180 GSJFSEXHYNRBLK-UHFFFAOYSA-N 433.436 3.872 0 40 IHAB Cc1ccc(S(=O)(=O)NCCc2csc3nc(-c4ccc(F)cc4)nn23)cc1C 17053103 DLWCFLQRHOQWOA-UHFFFAOYSA-N 430.530 3.735 0 40 IHAB Cc1cc(C(=O)OCC(=O)Nc2ccc(N3CCCC3=O)cc2)c(C)n1Cc1ccco1 18018780 QXCTVTPDUUTFOC-UHFFFAOYSA-N 435.480 3.669 0 40 IHAB Cc1cc2oc(=O)cc(CSc3nnc(C[C@@H]4CCS(=O)(=O)C4)o3)c2cc1C(C)C 18623388 UTKSBDGCEVZKKD-AWEZNQCLSA-N 448.566 3.877 0 40 IHAB CO[C@@H]1CCC[C@H](C(=O)NC2CCN(c3ncc(-c4cc(C)no4)c(C4CC4)n3)CC2)C1 19121702 HKZVMCFSWJIHFT-PKOBYXMFSA-N 439.560 3.608 0 40 IHAB Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)CCN4CCOCC4)C3)c(-c3ccncc3)c2c1 19220227 NDATVAYYMVUACL-OAQYLSRUSA-N 432.568 3.967 0 40 IHAB CCNC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCCN(C(=O)c2cccnc2)C1 19528668 FXCDQOOPVMNCGG-AREMUKBSSA-N 428.536 3.745 0 40 IHAB Cc1nc(C2CCN(C(=O)CC[C@H]3CCCO3)CC2)nc2c1CCCN2Cc1ccccn1 19706674 KOSOKVHZWSJEQS-JOCHJYFZSA-N 449.599 3.798 0 40 IHAB COc1ccc(CCC(=O)N2CCC[C@@H](c3cc(C(F)(F)F)c4c(N)n[nH]c4n3)C2)cc1 19742345 OPTDTOHOXSSREL-CQSZACIVSA-N 447.461 3.906 0 40 IHAB CNc1nc([C@H]2CCCN2C(C)=O)nc2c1CCN(Cc1c(C)cc(OC)c(C)c1C)C2 19752885 LQUMSNJVMCLQAQ-JOCHJYFZSA-N 437.588 3.694 0 40 IHAB Cc1cc(C)n(CCCC(=O)N2CCC[C@@H]2c2ncc(C(=O)Nc3ccccc3)c(C)n2)n1 19755600 GMZQVOSMZCKLMZ-JOCHJYFZSA-N 446.555 3.995 0 40 IHAB COc1ccc(NC(=O)c2cn(C)nc2CC2CCN(C(=O)[C@H]3CC34CCC4)CC2)cc1 19756535 KKROUQSEKAWDDQ-OAQYLSRUSA-N 436.556 3.652 0 40 IHAB Cc1ncc(C(=O)NC2CCCCC2)c([C@@H]2CCCN2C(=O)COc2ccccc2F)n1 19766866 LEMKXAZQDDDVJB-FQEVSTJZSA-N 440.519 3.729 0 40 IHAB COc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 20019906 JIMUHPDITSLUFZ-KRWDZBQOSA-N 440.521 3.752 0 40 IHAB O=C(COc1ccc(S(=O)(=O)N2CCCCCC2)cc1)N[C@H]1CCCc2ccccc21 20021293 NRZNGSSIOUYEIZ-QHCPKHFHSA-N 442.581 3.824 0 40 IHAB COc1ccc(-c2cc3n(n2)[C@@H](C(=O)Nc2ccc(C(C)=O)cc2)CC(O)=N3)cc1OC 20724253 QFLHRTJCPKEDDZ-GOSISDBHSA-N 434.452 3.941 0 40 IHAB COc1cc(CNCc2ccc(F)cc2)ccc1OCc1nnnn1-c1ccc(C)cc1 22108260 BUVHJQLVLXBPBE-UHFFFAOYSA-N 433.487 3.987 0 40 IHAB Cc1ccc(CNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1 22350815 GCCNUNUOEAJMTA-UHFFFAOYSA-N 426.513 3.641 0 40 IHAB Cc1cccc(C)c1NC(=O)CN1CCN(CCC(=O)Nc2ccccc2Cl)CC1 22912119 UUJCARKGCGUOMW-UHFFFAOYSA-N 428.964 3.542 0 40 IHAB CN(CCOc1ccc(Br)cc1)Cc1nc2sc3c(c2c(=O)[nH]1)CCC3 23805959 NBZOMSIWMMQWCM-UHFFFAOYSA-N 434.359 3.747 0 40 IHAB Cc1cc(-c2csc(CN3C(=O)c4ccccc4S3(=O)=O)n2)c(C)n1-c1ccon1 25667649 PCNQIBQOVHVUCZ-UHFFFAOYSA-N 440.506 3.550 0 40 IHAB O=C(COc1ccc(F)cc1)N(Cc1cccc2ccccc12)[C@H]1CCS(=O)(=O)C1 27663967 PALQSEBYMBWGNN-FQEVSTJZSA-N 427.497 3.574 0 40 IHAB CCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCO)cc1OCC 27748423 BWIJNRMEBKPSDG-QFIPXVFZSA-N 437.492 3.826 0 40 IHAB Cc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)cc1 30174339 DPRZVBIJBIDTGW-SFHVURJKSA-N 437.525 3.672 0 40 IHAB Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H]3c3cccnc3)CC2)c(C)c1 31941851 JVRHFRKSCZUQSD-QFIPXVFZSA-N 441.597 3.771 0 40 IHAB CC(C)Cc1ccc(C(=O)CCC(=O)N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 32052521 PAVQSXKEIKLNDC-KRWDZBQOSA-N 430.570 3.715 0 40 IHAB CC[C@H](C)[C@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)N1CCSCC1 32096549 SXLUDOXHUCJRIV-KXBFYZLASA-N 442.610 3.807 0 40 IHAB O=C(Cc1ccccc1)NC(=S)Nc1cc(Br)c(O)c(Br)c1 32116419 LVJSSYXXQFEMOR-UHFFFAOYSA-N 444.148 3.973 0 40 IHAB Cc1cc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(N(C)C)nc3)cc2)ccc1F 32889614 WTYVIZIPOMWEFZ-UHFFFAOYSA-N 428.489 3.648 0 40 IHAB CN(Cc1cc(=O)[nH]c2ccccc12)C(=O)CCN1C(=O)S/C(=C\c2ccccc2)C1=O 33539554 SHKWQQFLYBZTKN-MOSHPQCFSA-N 447.516 3.613 0 40 IHAB CCN(CC(=O)Nc1c(Cl)cccc1Cl)S(=O)(=O)c1cc(C)ccc1OC 33739590 RNEGYFGONUNCAY-UHFFFAOYSA-N 431.341 3.960 0 40 IHAB COc1ccc(N([C@@H](C)C(=O)N[C@H](C)c2ccc(C)cc2C)S(C)(=O)=O)cc1Cl 36107384 BIKHMJFXBMWSPS-CVEARBPZSA-N 438.977 3.997 0 40 IHAB COc1ccc(-n2nnc(C(=O)NCCc3ccc(Cl)cc3)c2-c2cccnc2)cc1 38487705 XWPUPSBMDOVZBP-UHFFFAOYSA-N 433.899 3.964 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)[C@H](C)SCc1ccccc1 44885374 VMEKYQQMTCJXTO-INIZCTEOSA-N 434.583 3.740 0 40 IHAB Cc1ccc(CNC(=O)Cn2cc(C(=O)Nc3ccccc3)c(=O)c3ccc(C)nc32)cc1 49002001 PRRHQMUGIJZEHV-UHFFFAOYSA-N 440.503 3.582 0 40 IHAB CCN1CC(Oc2ccc(Cl)cc2)=NC(SCC(=O)Nc2ccc3c(c2)OCO3)=N1 57401824 UFPQRBFJTMYYEB-UHFFFAOYSA-N 446.916 3.824 0 40 IHAB COc1cccc([C@@H](C)NC(=O)Cn2cccc2-c2nc(-c3ccc4c(c3)OCO4)no2)c1 57487104 LLOGTSJAWBPKEW-OAHLLOKOSA-N 446.463 3.820 0 40 IHAB Cc1cc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2cc(F)cc(F)c2)no1 57489210 WXEKAVXWSHAVFX-UHFFFAOYSA-N 434.449 3.753 0 40 IHAB Cc1cccc(N(C)C(=O)Cn2c(=O)n(-c3cccc(Cl)c3)c(=O)c3sccc32)c1 57491585 ZXFQHFMTRVCTPL-UHFFFAOYSA-N 439.924 3.839 0 40 IHAB CCOc1c(Cl)cc(CNC(=O)C[C@@H]2c3ccccc3CCN2C(C)=O)cc1OC 59781426 RKCSDJZYLITDRT-HXUWFJFHSA-N 430.932 3.900 0 40 IHAB Cc1cc2nc(SCC(=O)N[C@@H](C)CCc3ccccc3)n(CC(C)C)c(=O)c2[nH]1 67237762 LEUIIXXURZIJKA-INIZCTEOSA-N 426.586 3.919 0 40 IHAB COc1ccccc1CNC(=O)c1cnn(-c2ccc(-c3nc(C(C)(C)C)no3)cn2)c1C 71768639 BRIPCYPSPOTRPN-UHFFFAOYSA-N 446.511 3.862 0 40 IHAB COc1cccc(N(C)CCC(=O)N2CCC[C@@H](c3ccc(Nc4cnccn4)cn3)C2)c1 72353485 YRTKFKGBMQBNQM-LJQANCHMSA-N 446.555 3.856 0 40 IHAB COc1cc2c(cc1CN1CCC[C@H](c3ccc4c(NC(C)C)n[nH]c4n3)C1)OCCO2 72374480 RJDHJOVIWJUYAP-INIZCTEOSA-N 437.544 3.938 0 40 IHAB COc1cccc(C(=O)NCCn2ncc(-c3ccc(F)cc3)c2-c2nccn2C)c1OC 72391173 UMMJMIAYIUEOQK-UHFFFAOYSA-N 449.486 3.537 0 40 IHAB COc1ccccc1Cn1ncc2c1CCC[C@H]2NC(=O)c1cccc(N2CCCC2=O)c1 72396999 KSCWJLGZSWALSS-JOCHJYFZSA-N 444.535 3.874 0 40 IHAB COc1ccc(C(=O)OCc2cc(C)nc3ccccc23)nc1I 95455612 WJEJCHHZVAMBEY-UHFFFAOYSA-N 434.233 3.908 0 40 IHAB O=C(O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)Nc3csc(-c4ccccc4)c3)cc2)C1 95459694 WTNKDDBKHDMYNG-HNNXBMFYSA-N 442.518 3.653 0 40 IHAB C[C@@H](C(=O)Nc1cc(-n2ccc3ccccc32)ncn1)n1nc(-c2cccs2)ccc1=O 96025275 LEPJDBSWRDTJFK-HNNXBMFYSA-N 442.504 3.905 0 40 IHAB CCOCCCN1CC[C@@H](NCC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)[C@H](C)C1 97164306 CCMPERODMHCLKH-XMSQKQJNSA-N 448.007 3.943 0 40 IHAB CC[C@@H](C)N1C(=O)[C@H]2[C@@H]3C=Cc4ccc5cccnc5c4N3[C@H](C(=O)C(C)(C)C)[C@@H]2C1=O 101097879 AFBKHIUFLLKDFT-HVXPQADMSA-N 431.536 3.834 0 40 IHAB COC(=O)CN1C(=O)N/C(=C/c2ccccc2OCc2ccc(Cl)cc2Cl)C1=O 107564705 SMGPSRUKRZSIPD-LZYBPNLTSA-N 435.263 3.638 0 40 IHAB CC[C@H](NC(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O)c1ccc(OC)c(OC)c1 219630239 GEHVCINSAOYXGY-FQEVSTJZSA-N 448.585 3.826 0 40 IHAB CCOc1ccc(N([C@@H](CC)C(=O)NCCCc2ccc(C)cc2)S(C)(=O)=O)cc1 220677105 UQAQCJBPLSMAMJ-QFIPXVFZSA-N 432.586 3.687 0 40 IHAB Cc1ccc(N([C@@H](C)C(=O)NCCOc2cccc(C)c2C)S(C)(=O)=O)cc1Cl 223954271 OFTZXFNYXHDETP-KRWDZBQOSA-N 438.977 3.615 0 40 IHAB CC(C)c1ccc(CCCNC(=O)[C@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1 223989819 UNIUCYDUCOGDQL-SFHVURJKSA-N 432.586 3.722 0 40 IHAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN1C(=O)c2cccc3cccc1c23 224092390 RTPYIXQWJNZIQX-LJQANCHMSA-N 443.547 3.990 0 40 IHAB CCOC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(NC(C)=O)cc1 224901672 OFRSQLWHPNBESH-UHFFFAOYSA-N 445.324 3.710 0 40 IHAB CC[C@H](NS(=O)(=O)c1nnc(NC(=O)c2cccc(C)c2)s1)c1ccccc1C 225432717 RSLCXGAFOHOUFE-KRWDZBQOSA-N 430.555 3.837 0 40 IHAB COCCNC(=O)c1ccc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(N)c1 225440655 REZQYSHUTPDFQJ-UHFFFAOYSA-N 444.579 3.557 0 40 IHAB CCC(CC)C(=O)N1CCC(O)(c2csc(CN3CCc4ccccc4C3)n2)CC1 225474605 OTSCWAGGSMKPMA-UHFFFAOYSA-N 427.614 3.948 0 40 IHAB biogenic,in-vitro CCc1ccc([C@@H](C)NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1 225835193 FXILHVMXKCASQF-CQSZACIVSA-N 439.375 3.655 0 40 IHAB CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](Oc2ccc(F)cc2)[C@H](O)[C@H]1N1CCC(F)(F)CC1 257296378 RCOLZPUZAIMRKX-YRXWBPOGSA-N 444.494 3.721 0 40 IHAB Oc1nc(C2CCN(Cc3ccccc3F)CC2)nc2c1nnn2Cc1cccc(F)c1 257301239 RXOVJXCTAHEKRU-UHFFFAOYSA-N 436.466 3.633 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3c4ccccc4C[C@@H]3C)C2)cc1C 260743417 PNJNNDYGXPCQSY-ICSRJNTNSA-N 442.581 3.772 0 40 IHAB Cc1cc(C)cc(CN2CCC3(CC2)CN(C)C[C@@H](C(=O)N(C)Cc2ccccc2)O3)c1 306137907 RJUUSEQRGUUJCT-VWLOTQADSA-N 435.612 3.627 0 40 IHAB COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3OC)cc2)c1 408601323 FOGZHRJXUQKKHL-UHFFFAOYSA-N 442.493 3.522 0 40 IHAB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1)Nc1cccc(Cl)c1 408672488 ZLCRTIPMTZPMDX-OALUTQOASA-N 440.883 3.815 0 40 IHAB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(OC(C)C)c(Cl)c3)C2=O)c1 409086194 GJMPMYMLPQNYII-WOJGMQOQSA-N 427.888 3.967 0 40 IHAB Cc1ccc(-n2cccc2/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(C)c1 409216540 JDUAUGGOEGVEQV-DEDYPNTBSA-N 432.455 3.765 0 40 IHAB COc1cc(C=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1C 409260090 KMGYPCKINMCKDA-UHFFFAOYSA-N 439.249 3.747 0 40 IHAB Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc4c(c3)OCO4)cc2)c1 409376856 DMDUIHYZRJYFKD-UHFFFAOYSA-N 440.477 3.542 0 40 IHAB O=C1CCc2cc(C(=O)N3CCC[C@@H](NC(=O)c4ccc5ccccc5c4)C3)c(F)cc2N1 532267343 GIOSRLOPOURZDX-HXUWFJFHSA-N 445.494 3.898 0 40 IHAB Cc1nn(C)c(C)c1[C@H](NC(=O)N[C@H](c1c(C)nn(C)c1C)C(F)(F)F)C(F)(F)F 541806666 RKKZSFUNDMPMHY-OKILXGFUSA-N 440.392 3.593 0 40 IHAB CC(C)c1ccc(OCC(=O)N2CCC[C@@H](Oc3ncc(Br)cn3)C2)cc1 575611676 FTUJJJXGSANEOU-GOSISDBHSA-N 434.334 3.811 0 40 IHAB C[C@]12C[C@@H](c3ccccc3)N(CC(=O)N3CC(=O)Nc4ccccc43)[C@H]1CCCCCN2 585261865 ZTYQKWOQEKIKAU-FXSPECFOSA-N 432.568 3.710 0 40 IHAB C[C@@H]1Oc2ccc(C(=O)C3CCN(C(=O)N[C@@H]4c5ccccc5C[C@H]4C)CC3)cc2NC1=O 600920509 UPQQELQUJKPHPQ-SYJLOODJSA-N 447.535 3.944 0 40 IHAB CN1CCOc2ccccc2CCCCC2(CCN(C(=O)c3cnc(N)s3)CC2)C1 643573692 IVMSFIOETJDKPQ-UHFFFAOYSA-N 428.602 3.685 0 40 IHAB CC(C)S(=O)(=O)NC[C@@H]1CCC2(CCN(Cc3cccc(C(F)(F)F)c3)CC2)CO1 2056225149 FONXSQHNZJWYCX-IBGZPJMESA-N 448.551 3.794 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccn2)c2cc(Cl)ccc2C)cc1 656182 QKBUKCJZLUVVTC-UHFFFAOYSA-N 443.956 3.864 0 40 IHAB CCOC(=O)c1c(NC(=O)CSc2nc3ccccc3s2)sc(C(=O)NC)c1C 2623747 TUSQQXZHGOPNBD-UHFFFAOYSA-N 449.579 3.933 0 40 IHAB O=C(Nc1nnc(-c2ccccc2Cl)o1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 2723418 JDEZCZMUPFZWEM-UHFFFAOYSA-N 446.916 3.817 0 40 IHAB COc1cc(CC(=O)O[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc(OC)c1OC 3320536 SENITDCTUBCYQV-GFCCVEGCSA-N 441.402 3.844 0 40 IHAB COCCCNC(=S)N(Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O 6409674 XNRJVKDHAJNZGQ-UHFFFAOYSA-N 439.581 3.758 0 40 IHAB Cc1c(C(=O)N2CCN(C(=O)c3ccco3)CC2)sc2nc(-c3ccc(F)cc3)cn12 6528522 HJJMOBJKJOCSGF-UHFFFAOYSA-N 438.484 3.702 0 40 IHAB Cc1ccc(NC(=O)Cn2c(=O)n(Cc3ccco3)c(=O)c3oc4ccccc4c32)cc1C 8589222 JYBSESFKQIGBIB-UHFFFAOYSA-N 443.459 3.806 0 40 IHAB CCN(C(=O)Cn1c(=O)n(Cc2ccccc2)c(=O)c2ccccc21)c1cccc(C)c1 8680331 JUAGQOYRRSYFLD-UHFFFAOYSA-N 427.504 3.573 0 40 IHAB O=C1Cc2cc(C(=O)CSc3nnc(-c4cccs4)n3C[C@H]3CCCO3)ccc2N1 8825790 UFKAUCINBWMLCY-OAHLLOKOSA-N 440.550 3.655 0 40 IHAB O=C1O[C@H](CNS(=O)(=O)c2ccccc2Cl)CN1c1ccc(Cl)c(Cl)c1 8838490 HMMCFUASOCCHES-LLVKDONJSA-N 435.716 3.951 0 40 IHAB CC[C@H](C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)n1cnc2ccccc2c1=O 9187288 ORSZVJOZJVYPPV-HXUWFJFHSA-N 444.457 3.715 0 40 IHAB Cc1nnc2n1N[C@H](c1ccccc1)[C@H](C(=O)Nc1ccc(Br)cc1)S2 9237929 WLHYYHLVAWEZPE-HZPDHXFCSA-N 430.331 3.747 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C 9382280 FUZAQBBBEJSGJB-UHFFFAOYSA-N 435.509 3.871 0 40 IHAB NC(=O)C1CCN(C(=O)CSc2nc(-c3cccs3)c(-c3cccs3)[nH]2)CC1 9593880 JMNMFZOBJHPIIB-UHFFFAOYSA-N 432.596 3.683 0 40 IHAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1)N1CCN(C(=O)C2CC2)CC1 9742104 UKLDUTPRHNTQOM-BUHFOSPRSA-N 426.520 3.633 0 40 IHAB CCn1c(CCC(N)=O)nnc1S[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 9796758 QRWFSAXVPZRGSE-QFIPXVFZSA-N 433.537 3.914 0 40 IHAB COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1ccccc1Br 10119832 KWXXUADWJHMFLB-UHFFFAOYSA-N 430.287 3.876 0 40 IHAB CCCCn1c(=O)c2c(nc3n2CCN3c2ccc(Oc3ccccc3)cc2)n(C)c1=O 10249677 LFNCIWBVSLQZNO-UHFFFAOYSA-N 431.496 3.641 0 40 IHAB Cc1ccc(CSCCNC(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1 10367426 STHDZHFPFTVUCT-LJQANCHMSA-N 434.627 3.816 0 40 IHAB Cc1cc(CSc2ccccc2)ccc1NC(=O)C1CCN(S(=O)(=O)N(C)C)CC1 10434347 NKVUDIKENDMRHN-UHFFFAOYSA-N 447.626 3.744 0 40 IHAB COc1cc(SC)ccc1C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)s1 10767132 FILKLZIPVVTLGV-UHFFFAOYSA-N 440.612 3.583 0 40 IHAB O=C(Nc1nc(CCC(=O)N2CCN(c3ccccc3Cl)CC2)cs1)c1ccco1 11796775 QQWXMOCFBKWTFC-UHFFFAOYSA-N 444.944 3.923 0 40 IHAB CCCCCCc1c(C)c2ccc(OCC(=O)N[C@@H](CCSC)C(=O)O)cc2oc1=O 11866808 AQIJSZWSLQTHAP-IBGZPJMESA-N 449.569 3.926 0 40 IHAB biogenic O=C(c1cc(-c2ccccc2)on1)N(Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 11916705 MTKRXDOQPKHGDF-SFHVURJKSA-N 430.913 3.825 0 40 IHAB Cc1ccc(N2C[C@H](NC(=O)N3CCn4cccc4[C@@H]3c3ccccc3F)CC2=O)cc1 12361880 KWTOAWSCGSSQQM-KOSHJBKYSA-N 432.499 3.856 0 40 IHAB CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)N1[C@@H](C)CCC[C@H]1C 12565975 IIMPPFQWKNZRMI-RVKKMQEKSA-N 440.993 3.524 0 40 IHAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 12584667 HOMZWJSOGWAGMQ-UHFFFAOYSA-N 446.532 3.945 0 40 IHAB COC(=O)CN(C(=O)CSc1nnc(-c2ccccc2Cl)o1)c1ccc(OC)cc1 12644942 IBZOMOFJAPUURG-UHFFFAOYSA-N 447.900 3.697 0 40 IHAB C[C@H](Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)c1nc2ccccc2c(=O)[nH]1 12796242 URHZRHGXXYUEQJ-GJZGRUSLSA-N 434.521 3.665 0 40 IHAB Cc1ccc(NC(=O)/C=C/c2ccc(Br)s2)cc1S(=O)(=O)N(C)C 12802913 OWVFKTIRPUCEPR-VQHVLOKHSA-N 429.361 3.721 0 40 IHAB C[C@@H](NCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc2c(c1)CCCC2 12874402 UPUKJDKOSYZBCD-GOSISDBHSA-N 441.597 3.639 0 40 IHAB COc1ccccc1CNC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N12 12885588 ZCZAKTXYTRHCCK-DHLKQENFSA-N 437.499 3.963 0 40 IHAB biogenic Cc1ccc(NC(=O)Cn2nc(C)c(S(=O)(=O)N3CCC(C)CC3)c2C)c(Cl)c1 13019073 BQUZGVRRYZJLQI-UHFFFAOYSA-N 438.981 3.521 0 40 IHAB Cc1cccc(C(=O)O)c1NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 13432743 DZDFODGGUIYFSH-GASCZTMLSA-N 430.526 3.612 0 40 IHAB COc1ccc([C@@H]2CC(=O)Nc3nc(SCc4cccc(C)c4)[nH]c(=O)c32)c(OC)c1 13567323 MMDDNDCQILMPCB-KRWDZBQOSA-N 437.521 3.862 0 40 IHAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1C 13568812 ZSFKTMUONHTGQC-OAHLLOKOSA-N 431.539 3.967 0 40 IHAB Cc1cc(S(=O)(=O)N[C@H](C)CCc2ccccc2)c(C)n1S(=O)(=O)c1ccccc1 13586038 OWCBZVINXQUUIL-QGZVFWFLSA-N 446.594 3.642 0 40 IHAB CS(=O)(=O)N(CC(=O)N1CCc2ccccc21)c1cc(C(F)(F)F)ccc1Cl 13649146 SHAVSJAEBQGMGI-UHFFFAOYSA-N 432.851 3.714 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccccc3)cc2)cc1 14004396 NNGJAKQWTWJAMC-MRXNPFEDSA-N 426.494 3.902 0 40 IHAB O=C(COCC(=O)Nc1ccc(OCCc2ccccc2)cc1)NCc1ccc(F)cc1 14008814 WNTIVQBENPGTEZ-UHFFFAOYSA-N 436.483 3.719 0 40 IHAB O=C(OCC(=O)N1CCCCCC1)c1cc(-c2ccccc2)c(N2CCOCC2)s1 14752521 AQJFIMCEXOIUJQ-UHFFFAOYSA-N 428.554 3.811 0 40 IHAB COc1ccccc1CNC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 15391043 YDIQHWQVGWDLFW-SFHVURJKSA-N 436.961 3.598 0 40 IHAB CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)NN2[C@@H](C)CCC[C@H]2C)c1 15982339 WQNVDSSCSKTUNE-CALCHBBNSA-N 432.542 3.761 0 40 IHAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(S(=O)(=O)N2CCOCC2)cc1 16021403 BTKDCNNIDHWUJI-UHFFFAOYSA-N 448.850 3.632 0 40 IHAB Cc1csc2nc(-c3cccc(NS(=O)(=O)c4ccc5c(c4)OCCO5)c3)cn12 17144088 OHKQKCDTYFVHKU-UHFFFAOYSA-N 427.507 3.943 0 40 IHAB Cc1nc2sc([C@H](c3cccc(Br)c3)N3C[C@H](C)O[C@H](C)C3)c(O)n2n1 17144213 JCKYSIBHMXJEEI-RWSFTLGLSA-N 437.363 3.766 0 40 IHAB CC(C)(N)C(=O)N1CCC[C@@H](c2cc(Nc3cccc(F)c3)nc(-c3cccnc3)n2)C1 19080892 MQTACOGDGOIVKV-QGZVFWFLSA-N 434.519 3.865 0 40 IHAB Cc1ccc([C@@H](NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c2cccs2)cc1 19296756 USSPFKVDEFFJCK-RDGATRHJSA-N 445.544 3.656 0 40 IHAB CC1CCC(N2CCc3nc([C@H]4CCCN(C(=O)c5cccnc5)C4)nc(O)c3C2)CC1 19495966 AFLFRPOTURDVCM-SYYJFZTOSA-N 435.572 3.534 0 40 IHAB CCc1cc(C(F)(F)F)c2c(C3CCN(C(=O)COC[C@@H]4CCCO4)CC3)noc2n1 19522056 VAYUEEYBLDTSRZ-HNNXBMFYSA-N 441.450 3.706 0 40 IHAB COc1cc(CN2CC[C@H](c3nc(N(C)C)ncc3-c3cncnc3)C2)ccc1OC(C)C 19695017 NGKVSDKOFRURJB-IBGZPJMESA-N 448.571 3.785 0 40 IHAB O=C(Nc1cccc(Br)c1)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 19935607 IMYQHUHEPMUSKS-UHFFFAOYSA-N 427.295 3.625 0 40 IHAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2cccs2)N1CCCN1CCOCC1 20308804 RAJQNFSSJKTIBW-IBGZPJMESA-N 444.940 3.775 0 40 IHAB COc1ccccc1CN(C)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 20490103 JPJNMGFQXRUBHD-UHFFFAOYSA-N 442.512 3.688 0 40 IHAB COc1cc(OC)c(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1Cl 21346208 LVNBBIZPWNQNLQ-KRWDZBQOSA-N 438.933 3.539 0 40 IHAB NS(=O)(=O)c1cc(C(=O)OCc2cn(-c3ccccc3)nc2-c2ccccc2)cs1 21839460 MYXLIHODAPSDIU-UHFFFAOYSA-N 439.518 3.605 0 40 IHAB CCOc1ccccc1OCC(=O)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 22356009 HQXBHBSCLKQMOX-UHFFFAOYSA-N 437.565 3.932 0 40 IHAB CC[C@H](NC(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O)c1ccc(OC)c(OC)c1 22427595 SUKPKHAKOIPIFC-IBGZPJMESA-N 448.585 3.861 0 40 IHAB CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(CN3CCOCC3)cc2)c1 22485802 KDGSWBCRNHBYSF-UHFFFAOYSA-N 427.570 3.825 0 40 IHAB Cc1ccc(Cc2nn3c(SCC(=O)Nc4ccccc4Cl)nnc3nc2O)cc1 22720990 USVZRPIFHNCQLO-UHFFFAOYSA-N 440.916 3.508 0 40 IHAB Cc1cc(C(=O)N2CCN(Cc3ccccc3)CC2)ccc1NS(=O)(=O)c1ccccc1 22913488 RCOPCFWTFIXPAF-UHFFFAOYSA-N 449.576 3.754 0 40 IHAB CC(C)(C)c1ccc(C(=O)N2CCN(c3ccc4nnc(-c5ccco5)n4n3)CC2)cc1 23135477 HROKIQNKHZPLOM-UHFFFAOYSA-N 430.512 3.644 0 40 IHAB CCc1ccc(OCCOC[C@@H](O)CN2CCN(c3cc(Cl)ccc3C)CC2)cc1 23224739 FKRNAKKPQOCXAR-QFIPXVFZSA-N 432.992 3.789 0 40 IHAB Cc1ccc(S(=O)(=O)NCCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 23908993 DGERVDDNYGFCCK-GOSISDBHSA-N 429.567 3.637 0 40 IHAB CCN(CC(=O)NCc1ccc(Cl)cc1)S(=O)(=O)c1cccc2cc(C)cnc12 24988653 LPZLDYPCVAINAB-UHFFFAOYSA-N 431.945 3.524 0 40 IHAB O=C(OCc1ccc(C(=O)N2CCCC2)cc1)C1CCN(C(=O)c2cccs2)CC1 25644822 FSTJESULBGCCSD-UHFFFAOYSA-N 426.538 3.580 0 40 IHAB COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCc2ccc(OC)cc2)C12CCCC2 32103228 VCYSTGGHACEHST-HSZRJFAPSA-N 436.552 3.553 0 40 IHAB CCc1ccc([C@H](NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c2cccc(F)c2)cc1 32759140 GWYKHGHDYCZXIK-QFIPXVFZSA-N 447.553 3.860 0 40 IHAB CCOc1ccccc1-c1noc(Cn2cnc3c(cnn3-c3ccc(CC)cc3)c2=O)n1 33293100 DNJXLTYRICAZNB-UHFFFAOYSA-N 442.479 3.642 0 40 IHAB O=C(Nc1ccc2c(c1)OCCO2)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)nc1 35483533 SAAFSECUWMVFSX-UHFFFAOYSA-N 430.869 3.591 0 40 IHAB Cc1ccc(-c2noc(-c3ccc4c(=O)n(Cc5ccc(F)cc5)c(=O)[nH]c4c3)n2)cc1 38487530 JQLWVZLMFUMGHW-UHFFFAOYSA-N 428.423 3.903 0 40 IHAB COC(=O)COc1cc(C(=O)Oc2ccc3c(C(C)C)cc(=O)oc3c2)ccc1OC 40140665 MYJUWZUCHKRROX-UHFFFAOYSA-N 426.421 3.696 0 40 IHAB COc1ccc(-c2nnc3sc(NC(=O)COc4cc(C)cc(C)c4)nn23)cc1OC 41108745 KCJMESGXQXZGAQ-UHFFFAOYSA-N 439.497 3.504 0 40 IHAB COc1ccc(OC2CCN(Cn3c(=O)oc4cc(Br)ccc43)CC2)cc1 48289167 BFWZECNKSHALQH-UHFFFAOYSA-N 433.302 3.867 0 40 IHAB O=C(NCc1ccc(F)cc1Cl)c1ccc(Oc2nccnc2N2CCOCC2)cc1 49006081 AOIJTTQITABBRE-UHFFFAOYSA-N 442.878 3.828 0 40 IHAB CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)N2CCN(C(=O)c3ccccc3)CC2)CC1=O 49590343 CVBMEDGOEAXDKN-FPOVZHCZSA-N 433.552 3.538 0 40 IHAB COCCC(=O)N[C@@H](c1ccccn1)C1CCN(Cc2ccc(OC)c(C)c2C)CC1 57774016 KEVPPGJRFTUXKC-RUZDIDTESA-N 425.573 3.813 0 40 IHAB O=C1C[C@H](C(=O)Nc2ccnn2Cc2ccccc2Br)c2ccccc2N1 58530846 NEDVHHZKPVGKBR-HNNXBMFYSA-N 425.286 3.758 0 40 IHAB COc1cc(/N=c2\oc3c(OC)cccc3cc2C(=O)NC[C@H]2CCCO2)cc(OC)c1 67293788 FZSQOZOCCRMFIG-HIDBMEOHSA-N 438.480 3.600 0 40 IHAB Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)c(C)c1 71864268 OWNVMWHTMVTYLZ-UHFFFAOYSA-N 436.493 3.526 0 40 IHAB Cc1nc2cc([C@@H]3CCCN3C(=O)C3CC3)nn2c(C)c1CCC(=O)NC1CCCCC1 72351307 VBYUJCLLMMHYMQ-QFIPXVFZSA-N 437.588 3.801 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cncc(Nc3ncccc3C)n2)cc1C 72376358 XCZXQYNRNFJFOW-LJQANCHMSA-N 439.541 3.766 0 40 IHAB CCO[C@@H]1C[C@H](NC(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)C12CCCC2 78935357 JPDWODODRVNLSH-JKSUJKDBSA-N 439.482 3.547 0 40 IHAB C[C@@H]1CC[C@H]2N(C[C@H]3[C@H]4C[C@@H]5[C@H](C[C@H](O)[C@H]6C[C@@H](O)CC[C@@]65C)[C@@H]4CC[C@H]3[C@]2(C)O)C1 85885378 IUKLSMSEHKDIIP-RGJQFKFISA-N 431.661 3.678 0 40 IHAB CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)Nc3c(C)c(-c4ccc(OC)cc4)nn32)cc1 90594459 OGJXIQQDAZEHSS-IBGZPJMESA-N 448.479 3.566 0 40 IHAB COC(=O)CCN(C(=O)c1cnn(-c2ccccc2)c1Br)c1cccc(F)c1 96006710 YEEHWUAHEGSTHL-UHFFFAOYSA-N 446.276 3.984 0 40 IHAB O=C(CN1C(=O)CCCc2ccccc21)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 96008124 YEUWYAUYCQQFLP-FQEVSTJZSA-N 432.442 3.975 0 40 IHAB O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CC(S(=O)(=O)c2ccc(F)cc2)C1 96104290 RJKBPPOIAAKEPW-UHFFFAOYSA-N 436.464 3.932 0 40 IHAB CC(C)N1CCC(c2cc(O)n3nc([C@@H]4CCCN4C(=O)C4CCCC4)cc3n2)CC1 100232799 SXNZEQUNSMISTQ-NRFANRHFSA-N 425.577 3.876 0 40 IHAB CCN1C[C@H](C(=O)NC[C@H]2CC[C@H](c3nc(C(C)C)ncc3-c3ccncc3)CC2)CC1=O 100739110 XYJAUYBIAARXDD-HLAWJBBLSA-N 449.599 3.920 0 40 IHAB Cc1c(O[C@@H](C)C(=O)NC[C@H]2CC[C@H](C(=O)O)CC2)ccc2c3c(c(=O)oc12)CCCC3 101240824 KKIRUQQQAGIULB-YESZJQIVSA-N 441.524 3.755 0 40 IHAB O=C(NC1CCCCC1)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2C3)sc2c1CCC2 102640629 PASIKBWVDYKATA-GGNLRSJOSA-N 428.554 3.761 0 40 IHAB CC(C)S(=O)(=O)c1ccc(CC(=O)N(CCc2cccs2)C2CCOCC2)cc1 206676770 GWRYFWYEXCSHQP-UHFFFAOYSA-N 435.611 3.723 0 40 IHAB CCOC[C@@]1(CN)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218229165 BQPFAFUNMDBNGR-AABGKKOBSA-N 438.387 3.679 0 40 IHAB CC[C@H](C(=O)N[C@H](C)COc1ccc(C)cc1)N(c1cc(C)ccc1C)S(C)(=O)=O 220555512 HDSLQNYAQFNAAA-TZIWHRDSSA-N 432.586 3.740 0 40 IHAB CC[C@@H](C(=O)NCCc1ccccc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 220681934 HTEBIZTWGXROQT-KRWDZBQOSA-N 429.369 3.897 0 40 IHAB CC[C@H](C(=O)NCCSCc1ccco1)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O 220732474 LQBBVNLZEVOSOR-GOSISDBHSA-N 445.006 3.836 0 40 IHAB COc1ccc(N(C)C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4ccccc4c3)C2)cc1 222555115 XKQJJNWRHLNCAU-HXUWFJFHSA-N 438.549 3.912 0 40 IHAB CCOc1ccc(N(CCCC(=O)Nc2ccc(OC)c(Cl)c2)S(C)(=O)=O)cc1 222618972 CNIUVIKLNPBZIC-UHFFFAOYSA-N 440.949 3.932 0 40 IHAB Cc1ccccc1OCCNC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O 223824475 HUWSLAZUJCDENU-UHFFFAOYSA-N 438.549 3.770 0 40 IHAB CCOC(=O)c1cc(NS(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)ccc1Cl 223858590 TVXOYCVTXBKAKJ-UHFFFAOYSA-N 442.946 3.998 0 40 IHAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 224299202 RDRLIHFVNZNJSD-FQEVSTJZSA-N 440.565 3.875 0 40 IHAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)n1C 225609135 LKKJMNYAQUGYEW-FCHUYYIVSA-N 437.544 3.869 0 40 IHAB CS(=O)(=O)Nc1cc(C(=O)N2CCc3cc(Br)ccc32)ccc1Cl 225970059 IDNKOVOYQVTURV-UHFFFAOYSA-N 429.723 3.677 0 40 IHAB Cc1nc(-c2ccc(S(=O)(=O)NC[C@](O)(c3ccsc3)c3cccs3)cc2)co1 240002246 PPZYIZLGBWNZDS-FQEVSTJZSA-N 446.575 3.987 0 40 IHAB O=C(C1CC1)N1CCc2nc3cc([C@@H]4CCCCN4C[C@@H]4CC=CCC4)nn3c(O)c2C1 247711828 KAROHKRSNGBZCA-VGSWGCGISA-N 435.572 3.613 0 40 IHAB COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H]3C(=O)N(c4ccccc4C)C(=O)[C@H]32)cc1 248111050 NPQUKPDHVRHFME-XYJFISCASA-N 438.530 3.549 0 40 IHAB CCCS(=O)(=O)N1CCC[C@H]1c1ccc(C(=O)O)c(COc2ccc(Cl)cc2)n1 257268992 MOCSLCDWUJWHNN-IBGZPJMESA-N 438.933 3.889 0 40 IHAB CNc1nc([C@@H]2CCN(C(=O)C3(Oc4ccccc4)CCCCC3)C2)nc2c1CN(C)CC2 257289177 PXINOXYVFJPLQN-LJQANCHMSA-N 449.599 3.604 0 40 IHAB CCCN1CCN(Cc2ncc[nH]2)C[C@H](Cc2ccccc2-c2ccccc2OC)C1=O 257330557 XOXJQRWDAWDQSS-NRFANRHFSA-N 432.568 3.998 0 40 IHAB CCc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC=C[C@H](C)[C@H]4C3=O)cc2)cc1 408671185 YSRHWYCSUYQMQC-POCHDABASA-N 446.503 3.746 0 40 IHAB C[C@@H](C(=O)NCCc1ccccc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 409027460 IIVJKUNIDQMWFD-IBGZPJMESA-N 438.549 3.992 0 40 IHAB COc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(C)cc3)[C@H]2c2ccc(Cl)cc2)cc1 409059134 PRNDNAUDSLZJGG-LMOLPZMTSA-O 448.930 3.673 0 40 IHAB Cc1cccc([C@H]2C(=O)NCCN2Cc2cn(-c3ccc(Br)cc3)nc2C)c1 575762272 NRXYMKVLORYFQF-NRFANRHFSA-N 439.357 3.925 0 40 IHAB CCOC(=O)[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CN1C(=O)OCc1ccccc1 669369585 BCBIQMHQHLQBRY-LJQANCHMSA-N 446.544 3.978 0 40 IHAB CSc1ccccc1NC(=O)N1CCC[C@]2(CCCN(CC(=O)N3CCCC3)C2)C1 2056223996 LEXROUKXPLBEBK-QHCPKHFHSA-N 430.618 3.741 0 40 IHAB CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@@H]1c1ccc(C(=O)OC)cc1 684337 HJKOUXFWQKALBS-HXUWFJFHSA-N 436.493 3.881 0 40 IHAB Cc1c(Cl)cccc1N(CC(=O)Nc1ccc(Br)cc1)S(C)(=O)=O 824163 DMJBEWGOFKXHCW-UHFFFAOYSA-N 431.739 3.816 0 40 IHAB COc1ccc(Cn2c(C3CC3)nc3ccc(NC(=O)c4cccnc4)cc3c2=O)cc1 1363123 YKCILYLPGRDSKO-UHFFFAOYSA-N 426.476 3.978 0 40 IHAB Cn1c(CCN2CCN(c3ccc(F)cc3)CC2)nc2cc(NC(=O)c3ccco3)ccc21 2326279 BGSGOOXGCUTSNH-UHFFFAOYSA-N 447.514 3.922 0 40 IHAB COCCn1c(Cc2cccn2C)nnc1SCC(=O)Nc1cccc2ccccc12 2713787 FIQVNCICYJZLOD-UHFFFAOYSA-N 435.553 3.738 0 40 IHAB COc1ccccc1-n1c(SCC(=O)OCc2ccccc2)nc2c(c1=O)SCC2 2719842 IRFPUJJMEXDYHW-UHFFFAOYSA-N 440.546 3.725 0 40 IHAB CCCn1cc(S(=O)(=O)CC(=O)Nc2ccc(C(=O)OCC)cc2)c2ccccc21 2722217 XWEMXFIUBXDUDS-UHFFFAOYSA-N 428.510 3.640 0 40 IHAB O=C(Nc1ccn(-c2ccccc2)n1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 3168724 RDCPNLKRSBZJOF-UHFFFAOYSA-N 429.457 3.502 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3nnc(C4CC4)s3)c2)cc1 3253446 LGWWKBIMOYVMTF-UHFFFAOYSA-N 444.538 3.786 0 40 IHAB Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)Nc3ccc4c(c3)OC(F)(F)O4)cc2)n1 3355259 CXLWPOQSKIEQSS-UHFFFAOYSA-N 429.379 3.606 0 40 IHAB CCOc1ccccc1-n1nnnc1SCC(=O)c1cc(C)n(-c2cc(C)on2)c1C 3554982 MNYCWGSGERXHBH-UHFFFAOYSA-N 438.513 3.740 0 40 IHAB C[C@H]1CCC[C@@H](C)N1C(=O)Cn1c(SCC(=O)N2CCCCC2)nc2ccccc21 4859213 CGZITAHHAJSUCX-HDICACEKSA-N 428.602 3.930 0 40 IHAB Cc1ccc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)N3CCCCC3)c(=O)[nH]c2c1C 6442551 KIYZCIUUQOEADX-HSZRJFAPSA-N 446.530 3.894 0 40 IHAB CNC(=S)Nc1cc(OC)c(OC)cc1Cc1nccc2cc(OC)c(OC)cc12 8382913 UTFCTLVGLGNVJS-UHFFFAOYSA-N 427.526 3.776 0 40 IHAB biogenic Cc1ccc(CNC(=O)CCCc2nnc3n(CC(C)C)c(=O)c4sccc4n23)cc1 8618999 BMJOVOMWXXIZSR-UHFFFAOYSA-N 437.569 3.709 0 40 IHAB COc1ccc(-c2nn(-c3ccccc3)cc2CN2C[C@@H](C(N)=O)Oc3ccccc32)cc1 8728578 JGUPOOWJJQRESU-DEOSSOPVSA-N 440.503 3.801 0 40 IHAB CCCCN1C(=O)[C@@](O)(CC(=O)c2ccc(I)cc2)c2ccccc21 8921616 OWUGIPWYYWMDMA-HXUWFJFHSA-N 449.288 3.899 0 40 IHAB O=C(NC[C@H]1CCCO1)c1cn(Cc2ccc(F)cc2)nc1OCc1ccc(F)cc1 9100990 HEOBGJJFJAQKJP-HXUWFJFHSA-N 427.451 3.697 0 40 IHAB CCn1c(COc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc(F)cc1F 9263545 PXPKEVAELWQTGG-UHFFFAOYSA-N 434.468 3.895 0 40 IHAB Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1OCC(=O)Nc1ccc2c(c1)OCO2 9356492 FQZONSVHANBTPO-UHFFFAOYSA-N 440.477 3.542 0 40 IHAB Cc1ccc(Cn2c(SCC(=O)Nc3ccc(C)c(C)c3)nc3nccnc3c2=O)cc1 9405379 RITQOKBNTNFGOR-UHFFFAOYSA-N 445.548 3.891 0 40 IHAB COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)CCOc2ccccc2)c1 9444326 IQPXUZRQJCMXRB-UHFFFAOYSA-N 426.494 3.904 0 40 IHAB C[C@@H](NC(=O)c1ccc(NC(=O)CSc2nncn2C)cc1)c1ccc2c(c1)CCCC2 9535375 SMFMPGMJNOYFRW-MRXNPFEDSA-N 449.580 3.916 0 40 IHAB CCc1sc2nc(SCC(=O)NCCOC)n(Cc3ccc(C)cc3)c(=O)c2c1C 9561774 DHNGEICWYFTYAO-UHFFFAOYSA-N 445.610 3.540 0 40 IHAB O=C(C[C@@]1(O)C(=O)N(CN2CCCCC2)c2ccccc21)c1cccc(Br)c1 9614537 JLHNBNFWJCDCSX-QFIPXVFZSA-N 443.341 3.700 0 40 IHAB C[C@@H]1CCCC[C@@H]1n1c(SCn2nnc3ccccc3c2=O)nnc1-c1cccnc1 9662165 FZJXJELKEJJQFU-BEFAXECRSA-N 433.541 3.946 0 40 IHAB COc1ccccc1N1CCN(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)o2)CC1 10036852 UKRJZIULKXHLDV-UHFFFAOYSA-N 449.536 3.667 0 40 IHAB O=C(CNC(=O)NCc1ccccc1)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 10698521 VTQITTBAIYJVRG-JOCHJYFZSA-N 426.520 3.915 0 40 IHAB COc1cc(NC(=O)[C@@H]2CC(=O)N(c3cccc(SC)c3)C2)ccc1N1CCCC1=O 11447272 ISLIIXHQKGTFJH-OAHLLOKOSA-N 439.537 3.536 0 40 IHAB COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N3CCc4sccc4C3)c2)cc1 12215818 DAFWMVDLGUNTOT-UHFFFAOYSA-N 442.562 3.780 0 40 IHAB CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)Cn4nc(C)c(C)c4C)C3)cc2n1 12257562 WLCPYKURLSBJIU-MRXNPFEDSA-N 448.493 3.838 0 40 IHAB O=C(Cn1c(=O)cc(C(=O)N2CCCCC2)c2ccccc21)Nc1ccc(F)cc1F 12360181 OMWMLPHREGHXPR-UHFFFAOYSA-N 425.435 3.545 0 40 IHAB biogenic,in-vitro COc1ccc(-c2nc(CC(=O)Nc3ccccc3N3CCOCC3)cs2)cc1OC 12527607 KQXCMHRCRUGRLK-UHFFFAOYSA-N 439.537 3.845 0 40 IHAB C[C@H](OC(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N(C)c1ccccc1 12805110 ITOZWMHTUPXCSA-OUDVYAJJSA-N 438.568 3.789 0 40 IHAB O=C(c1ccc(-c2ccccc2Cl)o1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 12808175 AYKQMJOXSYHIHM-UHFFFAOYSA-N 448.903 3.886 0 40 IHAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCSc3c(F)cccc32)c1 12856741 KKMAEXKHANNEBN-INIZCTEOSA-N 428.938 3.696 0 40 IHAB CCOC(=O)c1c(NC(=O)COC(=O)c2ccc3ncsc3c2)sc2c1CCC2 13068273 XZGRATLNMJRWBD-UHFFFAOYSA-N 430.507 3.819 0 40 IHAB Cc1ccc(N([C@@H](C)C(=O)NCCSCc2ccccc2F)S(C)(=O)=O)cc1C 13646695 QUDFCPYKGJOWBO-KRWDZBQOSA-N 438.590 3.647 0 40 IHAB CC(C)Oc1cccc(NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)c1 13858166 WKKJEHLSXPJOKU-UHFFFAOYSA-N 441.347 3.641 0 40 IHAB COc1cc2c(cc1/C=C/C(=O)N1CCN(c3ccc(C(F)(F)F)cn3)CC1)O[C@H](C)C2 14171640 VWRPWZJMRFZACS-YFCVBGDOSA-N 447.457 3.794 0 40 IHAB CC(=O)OC[C@]1(C)[C@@H](OC(C)=O)CC[C@@]2(C)[C@@H]1CC[C@@H](C)[C@]21CC[C@@]2(COC(=O)C2)O1 15414915 JZNGEGWFNPRYBH-ZKQZQBAWSA-N 436.545 3.569 0 40 IHAB C[C@@H](OC(=O)C1CCN(C(=O)c2cccs2)CC1)C(=O)N[C@H]1CCCc2ccccc21 17134402 JDVVKQXLICKDMU-UZLBHIALSA-N 440.565 3.726 0 40 IHAB CCN(CC)C(=O)[C@H](c1ccccc1)N(C)CC(=O)Nc1ccccc1Br 17287756 DUABKQMTQGLRPE-FQEVSTJZSA-N 432.362 3.929 0 40 IHAB COc1cccc(CC(=O)N2CCC(c3n[nH]cc3C(=O)N3[C@@H](C)CCC[C@@H]3C)CC2)c1 19496068 SPPOQRNADLKUEF-ROUUACIJSA-N 438.572 3.770 0 40 IHAB COc1ccccc1C1=NO[C@@H](CC2(C(=O)NCCc3cccc(F)c3)CCOCC2)C1 19569369 GYRWUUJPTXTQGT-HXUWFJFHSA-N 440.515 3.873 0 40 IHAB Cc1noc(C)c1CCC(=O)N1CCCC[C@H]1c1nc(N(C)C)ncc1-c1ccncc1 19580708 CYDQTKKXVRNJHQ-NRFANRHFSA-N 434.544 3.896 0 40 IHAB COc1cccc(-c2noc([C@@H]3CN(C(=O)c4c(C)n(C)c5ccccc45)CCO3)n2)c1 19581749 JDJUVGYQDJFJJD-FQEVSTJZSA-N 432.480 3.759 0 40 IHAB Cc1nc(-c2ccccn2)sc1C(=O)N1CC[C@@H](c2ncccc2C(=O)NCC(C)C)C1 19707924 QEUMQGCYIWTBMY-QGZVFWFLSA-N 449.580 3.924 0 40 IHAB Cc1nc([C@@H]2CCN(C(=O)CCc3ccc(F)cc3)C2)nc2c1CCC(=O)N2CC(C)C 19739002 ASOYJCHBAZIHBO-LJQANCHMSA-N 438.547 3.808 0 40 IHAB COc1cccc(CNC(=O)c2cnc([C@H]3CCN(C(=O)C4CCCCC4)C3)nc2C)c1 19757942 BETVSFUSNZBNHI-FQEVSTJZSA-N 436.556 3.620 0 40 IHAB CC(C)CNC(=O)c1cc([C@H]2CN(C(=O)Cc3cccc(F)c3)CCO2)nc2ccccc12 19759384 ICJDXNNNEALXJQ-XMMPIXPASA-N 449.526 3.902 0 40 IHAB CCN1c2cc(OC)c(OC)cc2C(C)=C(C(=O)Nc2cccc(C)c2C)S1(=O)=O 20064050 SBULKPDFXFIVRJ-UHFFFAOYSA-N 430.526 3.860 0 40 IHAB CN(CCOc1ccc(F)cc1)C(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1 21961915 DRAJPHXXOAUEOU-UHFFFAOYSA-N 448.541 3.517 0 40 IHAB Cc1ccc(C(=O)NCc2ccccc2CN2CCOCC2)cc1NC(=O)c1ccco1 22186581 XYSLFPKEEYPWPL-UHFFFAOYSA-N 433.508 3.603 0 40 IHAB CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(OCC(=O)Nc2ccccc2)cc1 22232532 UNSOACRKHBNXES-UHFFFAOYSA-N 428.485 3.809 0 40 IHAB CCc1ccc(NC(=O)CSc2nc3c([nH]c4ccccc43)c(=O)n2CCOC)cc1 22628041 RFIMMZXTBJMXKC-UHFFFAOYSA-N 436.537 3.817 0 40 IHAB COc1ccc(CN2CCN(CC(=O)Nc3ccc(N4CCCCCC4)cc3)CC2)cc1 22919656 UUUFPASLLAWYDR-UHFFFAOYSA-N 436.600 3.832 0 40 IHAB O=c1[nH]c(CN[C@H](CN2CCOCC2)c2ccccc2)nc2sc(-c3ccccc3)cc12 22930150 JJAZLVYDYNCLRY-OAQYLSRUSA-N 446.576 3.815 0 40 IHAB Cc1cc(C(=O)N(CCCN2CCOCC2)c2nc3c(C)ccc(Cl)c3s2)on1 23128098 CONHWWANAVIGGA-UHFFFAOYSA-N 434.949 3.924 0 40 IHAB C[C@@H](C(=O)Nc1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1)n1cncn1 24583579 YJTAZUBLQCOMSR-AWEZNQCLSA-N 427.892 3.927 0 40 IHAB CNS(=O)(=O)c1cc(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)cc(C)c1C 24989711 IRELLMPOMDFGNL-UHFFFAOYSA-N 443.550 3.522 0 40 IHAB COc1cc(CN(C)C(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)ccc1OCc1ccccc1 25622509 NANJEQQGVBRPBT-NTKDMRAZSA-N 440.565 3.687 0 40 IHAB CCOC(=O)c1sc2cccc(F)c2c1COC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 26461413 YYJCWEBBJSXGDC-RNODOKPDSA-N 437.514 3.714 0 40 IHAB COC(=O)c1ccc(S(=O)(=O)Oc2ccc(N(C)C(=O)c3ccc(C)cc3)cc2)cc1 30497264 KUIYFXJORZMSRY-UHFFFAOYSA-N 439.489 3.826 0 40 IHAB Cc1ccc(NC(=O)NCCCN(C)C(C)C)cc1NC(=O)NCCCN(C)C(C)C 31087272 RQGSUWILDPGWAQ-UHFFFAOYSA-N 434.629 3.699 0 40 IHAB COc1ccc(-c2csc(NC(=O)c3ccc(C)c(NS(C)(=O)=O)c3)n2)cc1OC 32760033 SZEOJMKWYJSNPC-UHFFFAOYSA-N 447.538 3.760 0 40 IHAB Cc1ccc(-c2noc([C@H](C)N3CCN(C(=O)c4cnc5ccccc5n4)CC3)n2)cc1 32827849 MBWKUXGPCISNNT-KRWDZBQOSA-N 428.496 3.507 0 40 IHAB C[C@H](Oc1ccccc1)C(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O 33385247 PNKYCPMEPYHNHV-RAOBZKRQSA-N 430.913 3.960 0 40 IHAB O=C(Nc1ccccc1C(=O)N1CCOCC1)C1CCN(Cc2ccccc2Cl)CC1 39761667 FXDSAKJXZCTPQK-UHFFFAOYSA-N 441.959 3.663 0 40 IHAB Cn1ccnc1COc1ccc(COC(=O)CCc2nc(-c3ccc(F)cc3)no2)cc1 40134861 IZSQXMMQLZZFGR-UHFFFAOYSA-N 436.443 3.864 0 40 IHAB C[C@@H](C(=O)NCc1ccccc1OC(F)(F)F)n1nc(-c2ccc(F)cc2)ccc1=O 49025915 LZKHOELUQGWQML-ZDUSSCGKSA-N 435.377 3.825 0 40 IHAB Cc1ccc(-n2c(SC[C@@H](O)COc3ccc(F)cc3)nnc2N2CCCC2)cc1 57996523 FJSCPNHBMCDUHW-IBGZPJMESA-N 428.533 3.847 0 40 IHAB CN1CCN(c2ccc(C(F)(F)F)cc2NC(=O)N2CCO[C@H]3CCCC[C@H]32)CC1 58158811 NAGQDLNGZSWQAK-MOPGFXCFSA-N 426.483 3.633 0 40 IHAB Cc1ccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@H](O)[C@@H]43)CC2)c(C)c1 59415208 SVKLPRDZURGQKV-QWJNTRFUSA-N 438.612 3.710 0 40 IHAB biogenic Cc1cccc(C)c1NC(=O)CSc1nc2cnn(C)c2c(=O)n1Cc1ccccc1 65321332 FALKFPYEHHJGMQ-UHFFFAOYSA-N 433.537 3.526 0 40 IHAB Cc1ccc(-n2c(SCC(=O)NCc3ccc(F)cc3)nc3cc(C)[nH]c3c2=O)cc1 67237111 DJKIUJWUVCOVMI-UHFFFAOYSA-N 436.512 3.878 0 40 IHAB COc1cccc(CN2C(=O)Cc3c(C)nc([C@H]4CCCCN4C(=O)CC(C)C)nc32)c1 72371829 MOGFDVFKOPWLHN-OAQYLSRUSA-N 436.556 3.983 0 40 IHAB O=C(Nc1ccc(Cc2nnn[nH]2)cc1)c1cn(Cc2ccccc2)nc1-c1ccccc1 78714629 HHSCNRDMWILMMG-UHFFFAOYSA-N 435.491 3.955 0 40 IHAB O=C(NCCc1nc(-c2ccccc2)cs1)[C@H]1CCCN(c2ccc(Cl)nn2)C1 79477688 URXVVVHDVCDMIH-INIZCTEOSA-N 427.961 3.829 0 40 IHAB CCCOc1ccc(CN(CCCN(C)C)C(=O)[C@@H](C)n2nc(C)cc2C)cc1OC 84758594 WBIBTAUXBFGMBL-HXUWFJFHSA-N 430.593 3.839 0 40 IHAB C[C@@H](C(=O)Nc1cccc(NS(=O)(=O)c2ccccc2-c2ccno2)c1)n1cccn1 95468046 HZWNGSYWFMPWJR-HNNXBMFYSA-N 437.481 3.539 0 40 IHAB CC(C)c1ccccc1OCCNC(=O)c1cccc(-c2cnc3[nH]c(=O)n(C)c3c2)c1 95945789 FZAFBMXULRBBMF-UHFFFAOYSA-N 430.508 3.861 0 40 IHAB CN1CCN(C(=O)C[C@@H]2CC3(CCN(C(=O)c4cccc(F)c4)CC3)c3ccccc32)CC1 96242237 LSNVYUJXOCCYFF-OAQYLSRUSA-N 449.570 3.651 0 40 IHAB CCCCc1cc(=O)oc2c(C)c(OCC(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)ccc12 100762883 KQUTXXWSXHOINZ-CALCHBBNSA-N 429.513 3.830 0 40 IHAB COc1ccc([C@H]2c3sc(=O)[nH]c3S[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]23)cc1 101942802 OHNHTPFJJGKPLR-JFIYKMOQSA-N 438.530 3.549 0 40 IHAB COc1cc([C@H]2[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@@H]3ON2c2ccccc2)ccc1O 102722485 UELMKLYKBHWQJF-XPWALMASSA-N 430.460 3.760 0 40 IHAB O=S(=O)(Nc1cnn(C[C@@H]2COc3ccccc3O2)c1)c1cccc(C(F)(F)F)c1 206847235 OFAGMFAGANFVTD-OAHLLOKOSA-N 439.415 3.543 0 40 IHAB CCOC(=O)c1ccc(C)c(NC(=O)[C@H](CC)N(c2ccc(C)cc2)S(C)(=O)=O)c1 219099631 QGSRMHOMTYDUMN-FQEVSTJZSA-N 432.542 3.663 0 40 IHAB CC[C@H](C(=O)N[C@H](C)COc1ccccc1C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 219123970 ARRDFNWUNRAYNY-TZIWHRDSSA-N 432.586 3.740 0 40 IHAB O=C(NCc1ccc2c(c1)OCO2)C1CCN(Cc2ccc(Br)cc2)CC1 219422191 OIHIPCPGVLVTRV-UHFFFAOYSA-N 431.330 3.706 0 40 IHAB COc1cc(CNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)ccc1OC(C)C 219983207 PGLQXZFQFIRZSL-UHFFFAOYSA-N 446.569 3.587 0 40 IHAB Cc1cc(C)c(N(CC(=O)NCCOc2ccccc2C(C)C)S(C)(=O)=O)c(C)c1 223785405 IABBYTJWLWHCNZ-UHFFFAOYSA-N 432.586 3.696 0 40 IHAB Cc1ccc(C)c(N(CCCC(=O)NCCOc2ccc(C)c(C)c2)S(C)(=O)=O)c1 224151006 UHSKSESXXANQPZ-UHFFFAOYSA-N 432.586 3.662 0 40 IHAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCCC(C)(C)C3)cc2)cc1OC 224183567 WXYSDAPZIVGNBX-UHFFFAOYSA-N 446.569 3.791 0 40 IHAB COC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224620031 ODDPUHARSPSGQP-UHFFFAOYSA-N 432.325 3.987 0 40 IHAB COCCn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1cc(OC)ccc1OC 224834210 OFBBKAWOVVLDPG-YADHBBJMSA-N 438.553 3.724 0 40 IHAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(CC)cc1 225414482 FCTUGGJKTXNGIX-HSZRJFAPSA-N 426.557 3.970 0 40 IHAB COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(C)n1C 225663391 CZFPDBXEKNWGEZ-XZOQPEGZSA-N 449.580 3.738 0 40 IHAB CC(C)n1c(=O)sc2cc(S(=O)(=O)N(C)Cc3nc(-c4ccccc4)no3)ccc21 225719523 KUYSODOPNGJSAL-UHFFFAOYSA-N 444.538 3.515 0 40 IHAB Cc1cc(C)cc(C2(C(=O)N3CCOC[C@H](Cc4ccc5nccn5c4)C3)CCOCC2)c1 257259873 LAKADCGUCAZTKS-HSZRJFAPSA-N 447.579 3.717 0 40 IHAB O=C(c1cccc(Cn2ccnc2)c1)N1CCOC[C@@H](Cc2cccc3ncccc23)C1 257284606 PDKZHMMTVHLWKL-NRFANRHFSA-N 426.520 3.811 0 40 IHAB CC(C)(NC(=O)COc1ccccc1)C(=O)N1CCC(Cc2ccc3ncccc3c2)CC1 257304311 SKZMVPRZHSTUDF-UHFFFAOYSA-N 445.563 3.990 0 40 IHAB CC(=O)N1CC[C@@H](c2nc(C)ncc2-c2ccnc(NCc3nc4ccccc4n3C)c2)C1 257334390 YFRLYHBBQLCHJP-LJQANCHMSA-N 441.539 3.682 0 40 IHAB CC(=O)OC[C@]12CC[C@@H]3[C@H](C(=O)C[C@H]4C[C@H](OC(C)=O)CC[C@@]43C)[C@@H]1C[C@H](OC(C)=O)C2 257349952 SUMWMGNUBMBBTF-SJBCJTIXSA-N 448.556 3.615 0 40 IHAB CCNC(=O)COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl 408590759 KVYRRZOGSXROIX-UHFFFAOYSA-N 436.839 3.675 0 40 IHAB 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O=C(CN1C(=O)S/C(=C\c2cccs2)C1=O)NCCc1c[nH]c2ccc(F)cc12 9429583 MDVOAZKUEHQDMT-MFOYZWKCSA-N 429.498 3.764 0 40 IHAB CCn1c(SCC(=O)NC(=O)NCc2ccccc2)nnc1-c1ccc(Cl)cc1 9507260 WVJPOGQMIBTJRX-UHFFFAOYSA-N 429.933 3.737 0 40 IHAB CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)[C@@H](c1ccccc1)[C@H](C)CC)n2CC 9646790 DAZYUSFIGDMXDO-VQIMIIECSA-N 440.544 3.579 0 40 IHAB CCOc1cc(OCC)cc(C(=O)Nc2cc(-c3nn4cnnc4s3)ccc2OC)c1 10119859 QXJQNIIFAPPVKT-UHFFFAOYSA-N 439.497 3.911 0 40 IHAB CCOc1ccc(-c2noc(-c3nnn(-c4ccc(Br)cc4F)c3N)n2)cc1 10273124 QBQZTAIFIUMIOB-UHFFFAOYSA-N 445.252 3.867 0 40 IHAB COc1ccc(-c2nc(CC(=O)NCCn3c(C)nc4ccccc43)cs2)cc1OC 10737170 WYMKHOZBYLELLR-UHFFFAOYSA-N 436.537 3.844 0 40 IHAB Cc1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)n(C(C)C)n1 11695198 KGTKNLUMKSHBHM-UHFFFAOYSA-N 430.983 3.527 0 40 IHAB COc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc(N(C)C)cc3)o2)c(OC)c1 12552985 SRUJUPKTJOJRTD-CYBMUJFWSA-N 428.514 3.939 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)[C@H]1COc2ccc(Cl)cc2C1 12630986 SFGDUHPBSICNJG-CYBMUJFWSA-N 449.941 3.787 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(N3CCCCC3)cc2)cc1 12633588 GHBJLDOKHBIGQK-QFIPXVFZSA-N 427.570 3.777 0 40 IHAB Cc1cc(C)c2nc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)sc2c1 12651063 MARFNPZPDDAXKH-INIZCTEOSA-N 429.567 3.953 0 40 IHAB O=C(Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)Nc1nnc(C2CC2)s1 12788873 UZDQAMMYNATSCH-UHFFFAOYSA-N 432.502 3.537 0 40 IHAB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)Cn1c(=O)cnc2ccccc21 12916747 KATKAYJUDLAKGZ-SFHVURJKSA-N 440.503 3.868 0 40 IHAB CCn1c(SCc2cccnc2)nnc1[C@H]1CCCN(C(=O)C2CCC(OC)CC2)C1 13565208 QATOTXIRZGFNRX-GPJFCIFZSA-N 443.617 3.897 0 40 IHAB CCN(CC)S(=O)(=O)c1cccc(C(=O)OCc2nc3ccccc3n2C(F)F)c1 14121097 HAAVCKJODQFTGC-UHFFFAOYSA-N 437.468 3.819 0 40 IHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(NCC(=O)Nc2ccc(F)c(F)c2)nc1 14183649 WMJIFDVORCHOCK-UHFFFAOYSA-N 446.479 3.626 0 40 IHAB CCc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(C)=O)CC3)c(Cl)c2)cc1 14271759 YQYYHXJDAKPOHL-UHFFFAOYSA-N 444.988 3.698 0 40 IHAB O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1cccs1)N1CCN(C(=O)C2CC2)CC1 15788001 IMABRCIXXDCWRW-ZHACJKMWSA-N 446.576 3.754 0 40 IHAB COc1cc(C(=O)Nc2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccc(F)cc1 17303991 ZLPFSNSDTGYYCK-UHFFFAOYSA-N 434.427 3.980 0 40 IHAB COc1ccccc1CC(=O)N(C)C1CCC2(CC1)CN(C(C)=O)Cc1ccccc1O2 19019815 SEWRXSQZWYJGIN-UHFFFAOYSA-N 436.552 3.819 0 40 IHAB CC(C)C(=O)N1CCC[C@H](c2cc(=O)[nH]c(C3CCN(Cc4ccsc4)CC3)n2)C1 19085475 AWKNJKUKFLFHDV-IBGZPJMESA-N 428.602 3.573 0 40 IHAB O=C([C@@H]1CCCO1)N1CC[C@@H](c2nc(Nc3cccc(F)c3)cc(-c3ccncc3)n2)C1 19294158 FYJYUTOGKBGRSZ-UTKZUKDTSA-N 433.487 3.916 0 40 IHAB COc1cccc(C(=O)N[C@H](Cc2cc(=O)[nH]c(-c3ccncc3)n2)c2ccc(F)cc2)c1 19564783 VUWOCXVXOREIQN-JOCHJYFZSA-N 444.466 3.693 0 40 IHAB Cc1nc([C@H]2CCN(C(=O)CCc3ccc(F)cc3)C2)nc2c1CCC(=O)N2CC(C)C 19739003 ASOYJCHBAZIHBO-IBGZPJMESA-N 438.547 3.808 0 40 IHAB COc1cccc(C(=O)N2CCCC[C@H]2c2nc(C)c3c(n2)N(CC2CC2)C(=O)CC3)c1 19740459 LPLKLICDLVOZBH-NRFANRHFSA-N 434.540 3.850 0 40 IHAB CC(C)Nc1n[nH]c2nc([C@@H]3CCCN(C(=O)CN(C)Cc4ccccc4F)C3)ccc12 19742311 HRRHYSWCMDLWGI-GOSISDBHSA-N 438.551 3.755 0 40 IHAB CCN(c1ccc(OCC(=O)NCc2ccc(C)cc2)cc1)S(=O)(=O)c1ccccc1 19937898 BWFPPBTZUITCTM-UHFFFAOYSA-N 438.549 3.905 0 40 IHAB Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)Nc1cc(F)ccc1F 20021703 NYKJYSYAWVLOTF-UHFFFAOYSA-N 438.496 3.902 0 40 IHAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C)cc2)cc1I 20460162 HWLKKHIAVSBBTH-GFCCVEGCSA-N 431.295 3.648 0 40 IHAB O=C(O)CCc1ccc(S(=O)(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1 20627829 DITIQALVWMRXOE-UHFFFAOYSA-N 427.507 3.881 0 40 IHAB C[C@@H](OC(=O)c1cc2c(s1)CCCCC2)C(=O)Nc1sc2c(c1C(N)=O)CCC2 21602991 LMGFWSIOLOCJJQ-LLVKDONJSA-N 432.567 3.850 0 40 IHAB O=C(NCCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1C(F)(F)F 22227363 CMRQBUDRRMLEEO-UHFFFAOYSA-N 440.487 3.853 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)N[C@@H](C)c1cc(C)c(C)cc1C 22539218 ZPFCZFGAXLSZNM-INIZCTEOSA-N 438.977 3.772 0 40 IHAB COc1ccc(-c2cc(C(=O)N3CCN(CCN4CCCC4)CC3)c3ccccc3n2)cc1 23257888 MBKOXURFABRYNM-UHFFFAOYSA-N 444.579 3.764 0 40 IHAB Cc1ccc(-c2c(C)sc3nc(CN(C)CC(=O)NCc4ccco4)[nH]c(=O)c23)cc1 25423215 PERPOAFITIMVOQ-UHFFFAOYSA-N 436.537 3.610 0 40 IHAB CCCn1ccnc1SCC1=C(C(=O)OC)[C@@H](c2ccccc2)NC(=O)N1C1CC1 25460351 DHLLBONLOMZJGC-LJQANCHMSA-N 426.542 3.741 0 40 IHAB N=C1S/C(=C\c2cc3c(cc2Br)OCO3)C(=O)N1c1ccc2c(c1)OCO2 27531916 WBHOXNCTNKCSJI-DGSKDPMDSA-N 447.266 3.962 0 40 IHAB COc1cc(C(=O)Nc2nc3ccccc3n2CCN2CCCCC2)cc(OC)c1OC 28305459 OZVIZUYUBKGDQW-UHFFFAOYSA-N 438.528 3.800 0 40 IHAB CN(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O 30873596 CRAUECVNQFAXHG-UHFFFAOYSA-N 445.766 3.527 0 40 IHAB Cc1ccc(-c2noc([C@H](C)N3CCN(S(=O)(=O)c4ccc(C)c(C)c4)CC3)n2)cc1 31584074 JIUWXDGGNFERCK-IBGZPJMESA-N 440.569 3.729 0 40 IHAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccco3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 34746997 CBPYFULXORWQAF-FNGUVFISSA-N 436.533 3.515 0 40 IHAB CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)N2CCN(C(=O)c3ccccc3)CC2)CC1=O 49590340 CVBMEDGOEAXDKN-TZIWHRDSSA-N 433.552 3.538 0 40 IHAB CC(C)CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nc2ccsc2c1=O 57478586 BRSBPSPNZZKLQZ-UHFFFAOYSA-N 431.539 3.964 0 40 IHAB Cc1cc2nc(SCC(=O)Nc3ccc(C)c(F)c3)n(Cc3ccco3)c(=O)c2[nH]1 67236371 WEMMPWYXHSKCEJ-UHFFFAOYSA-N 426.473 3.853 0 40 IHAB O=C(NC[C@H]([C@H]1CCOC1)N1CCCC1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 69923004 VGUXDHGVXTYXJK-OXJNMPFZSA-N 440.510 3.928 0 40 IHAB Cc1cccc(-c2nnc(S)n2CC(=O)NCc2cccc(NC(=O)C3CCCC3)c2)c1 70010375 WNGYEUXKILEQEF-UHFFFAOYSA-N 449.580 3.987 0 40 IHAB CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(C(=O)NC(C)(C)C)cc1 72304591 MNEIJRYXAWZPLP-UHFFFAOYSA-N 438.572 3.618 0 40 IHAB O=C(Cc1csc(-c2ccc(Cl)s2)n1)NC1CCC(N2C(=O)CCC2=O)CC1 89800147 NJGLONAXXTYPTI-UHFFFAOYSA-N 437.974 3.644 0 40 IHAB Cc1nnc2ccc(C(=O)Nc3ccccc3N[C@H]3CCN(C(=O)OC(C)(C)C)C3)cn12 96011783 RQZAZMYGJDDFDU-KRWDZBQOSA-N 436.516 3.711 0 40 IHAB Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)c3ccc(N4CCOCC4)cc3)C2)n1 220818933 MGRODLCOMBHNBQ-FQEVSTJZSA-N 446.551 3.977 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)c3ccc(F)cc3)C2)cc1Cl 222536808 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COc1ccc(CCC(=O)N2CC[C@H](Oc3cccc4cccnc34)C2)c(OC)c1OC 244998624 KMTJKNFCSARRNU-IBGZPJMESA-N 436.508 3.873 0 40 IHAB CCn1nc(C(C)C)cc1C(=O)N1CCC(COc2ccc(Cl)cc2)(CC(N)=O)CC1 257229398 FXYNGTFLOUCCCB-UHFFFAOYSA-N 446.979 3.857 0 40 IHAB COc1ccc(NC(=O)CN2CCC(c3cc(Nc4ncccn4)cc(C)n3)CC2)cc1 257262339 LLAHQVJOMUHLBD-UHFFFAOYSA-N 432.528 3.750 0 40 IHAB Cc1[nH]c2ccc(F)cc2c1CC(=O)N1C[C@@H](c2ccccc2F)[C@@]2(CCCC(=O)N2)C1 257266074 MBLNXHDGLHIADN-NBGIEHNGSA-N 437.490 3.962 0 40 IHAB CCOCC(=O)N1CC[C@H](Oc2ccc(F)cc2)[C@@H](CC(=O)N(C)Cc2ccccc2)C1 257305466 SQEACHCXCPGMAI-REWPJTCUSA-N 442.531 3.507 0 40 IHAB Cc1ccc(Nc2cc(C)nc([C@H]3CCN(S(=O)(=O)c4c(C)n[nH]c4C)C3)c2)cc1 257310554 UFOVPZJXMYZYOZ-SFHVURJKSA-N 425.558 3.960 0 40 IHAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N[C@@H](C)CCc2ccccc2)cc1Cl 408586750 BBWKOYOEUJKRBH-JKSUJKDBSA-N 438.977 3.543 0 40 IHAB CCn1c(SCC(=O)Nc2cccc(C(C)=O)c2)nnc1-c1cccc(NC(C)=O)c1 408636434 PWIJOBFVHUBONY-UHFFFAOYSA-N 437.525 3.857 0 40 IHAB O=C(Nc1ccc(F)cc1C(F)(F)F)N[C@H]1Cc2cc(Br)cnc2NC1=O 1623033952 TUFKNHWFHVFBKD-LBPRGKRZSA-N 447.186 3.687 0 40 IHAB CC[C@H]1Oc2ccc(C)cc2N(CC(=O)N(Cc2ccc(F)cc2)C[C@@H]2CCCO2)C1=O 1362356 AYPDTDZCHWAETA-RBBKRZOGSA-N 440.515 3.846 0 40 IHAB CN(CC(=O)NC(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 3606910 GJYUOKGINNTUMM-UHFFFAOYSA-N 428.941 3.866 0 40 IHAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)CCCCCN1C(=O)c2ccccc2C1=O 4168055 OSFQUYGPCXYOTG-UPVQGACJSA-N 445.563 3.986 0 40 IHAB Cc1cc(C)c(S(=O)(=O)N(CCCO)Cc2cc3c(C)cc(C)cc3[nH]c2=O)c(C)c1 6300230 MIWJDWNCRNPUGQ-UHFFFAOYSA-N 442.581 3.644 0 40 IHAB O=C(NCc1ccc(Cl)cc1Cl)[C@H]1CCCN(c2nc(Cl)nc3[nH]cnc23)C1 9059695 DHPSFNJRFRKTCB-NSHDSACASA-N 439.734 3.846 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccc(-n2cccc2)c1 9139755 WMAYVZKVOSHDCI-UHFFFAOYSA-N 439.537 3.913 0 40 IHAB COC(=O)c1cc(NCc2cc(Br)ccc2OC)ccc1N1CCOCC1 9243088 LLUOLIVHQMUIGW-UHFFFAOYSA-N 435.318 3.693 0 40 IHAB CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)c1ccc(C(F)(F)F)cc1 9283379 CVRSIZBQUTYICY-UHFFFAOYSA-N 428.794 3.613 0 40 IHAB O=C(CSc1nc2c(cnn2-c2ccccn2)c(=O)[nH]1)Nc1cc(Cl)cc(Cl)c1 9349213 TYABBIPDJQMNOZ-UHFFFAOYSA-N 447.307 3.541 0 40 IHAB Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)c(C)n1CC(F)(F)F 9442698 ANFPWCBOLNIJAP-OAQYLSRUSA-N 433.430 3.634 0 40 IHAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)CSc2nnc(-c3ccccc3F)o2)c1 9508802 QZVIZTWECKHPIV-UHFFFAOYSA-N 428.489 3.682 0 40 IHAB Nn1c(SCC(=O)NCc2ccc(F)cc2)nnc1-c1cc(Cl)ccc1Cl 9634257 TVKFOXCVRKFFPS-UHFFFAOYSA-N 426.304 3.513 0 40 IHAB Cc1cc(NC(=O)Cc2ccc(F)cc2)n(-c2ncnc3c2cnn3-c2ccc(F)cc2)n1 9661233 DWYFGHPCKFOQLZ-UHFFFAOYSA-N 445.433 3.769 0 40 IHAB CCOC(=O)C1=C(COC(=O)[C@@H](C)Sc2ccccc2)NC(=O)N[C@@H]1c1ccccc1 9669452 YMQYAIHPPSFDDD-FOIQADDNSA-N 440.521 3.582 0 40 IHAB O=C(Cn1c(S(=O)(=O)Cc2ccccc2)nc2ccccc21)N1CCc2ccccc21 9707437 GUOICMDEWORLOP-UHFFFAOYSA-N 431.517 3.600 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C)Oc2cccc3cccnc23)ccc1C 9812569 CXPGATYNUUMFOB-QGZVFWFLSA-N 441.553 3.980 0 40 IHAB CCCCOC(=O)c1cc(NC(=O)COC(=O)c2ccc3c(c2)OCO3)ccc1Cl 10041934 MNVMCAWXXADSEE-UHFFFAOYSA-N 433.844 3.821 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCC(C)CC1)c1cccc(C)c1 10301084 NMDBUEDGTOULGL-UHFFFAOYSA-N 430.570 3.766 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(C(=O)OCCOc2ccc(F)cc2)ccc1Cl 11441092 XTGYLPJWOAOZND-UHFFFAOYSA-N 429.897 3.745 0 40 IHAB COc1ccc(CN2CCc3nc4cc(C(C)(C)C)nn4c(O)c3C2)cc1Cn1cccn1 12142921 SFNKGXJMQFIHRN-UHFFFAOYSA-N 446.555 3.544 0 40 IHAB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@@H](C(C)C)N2CCOCC2)cc1 12736338 WKYNCMQBENMBMD-DEOSSOPVSA-N 448.567 3.635 0 40 IHAB CC(C)CN(Cn1nc(Nc2cccc(F)c2)sc1=S)[C@@H]1CCS(=O)(=O)C1 12781865 YDCUKHOKWBYNKP-OAHLLOKOSA-N 430.596 3.659 0 40 IHAB CCn1c(C)cc(C(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)c1C 12794734 WLAIDNINWKUUQX-UHFFFAOYSA-N 444.384 3.578 0 40 IHAB CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)Cc2ccc(Cl)c(Cl)c2)cc1 12814800 KXXITNCPHJPNBZ-UHFFFAOYSA-N 429.369 3.680 0 40 IHAB CC(C)CNC(=O)c1cccc(N2C(=O)N3CCc4c([nH]c5ccccc45)[C@@]3(C)C2=O)c1 12866999 PKHSEIFSSUNOBX-VWLOTQADSA-N 430.508 3.794 0 40 IHAB biogenic CCCCCCn1nc(C(=O)OCC(=O)N[C@H](C)c2ccco2)c2ccccc2c1=O 12903625 LSSYJWJOIJIDKS-MRXNPFEDSA-N 425.485 3.604 0 40 IHAB COc1ccccc1NC(=O)c1sccc1S(=O)(=O)N1CCc2ccccc2C1 12937102 CDEFFSOIKBTYLE-UHFFFAOYSA-N 428.535 3.756 0 40 IHAB COc1ccccc1[C@@H](c1nnnn1Cc1cccs1)N1CCN(c2ccccc2)CC1 13505332 NKRYAADRWFPZMS-QHCPKHFHSA-N 446.580 3.703 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCC[C@@H](C)C2)c2ccc(C)cc2)cc1 13670789 UMNKKJBGNYJETE-LJQANCHMSA-N 430.570 3.848 0 40 IHAB CCOc1ccc(NC(=O)CSc2nnc(-c3cccc(OC(C)C)c3)n2N)cc1 13752067 BVNNRRFHYPVGEE-UHFFFAOYSA-N 427.530 3.576 0 40 IHAB Cc1nc(CN2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)cs1 14083011 OREMIBZTOYIBAC-UHFFFAOYSA-N 439.912 3.630 0 40 IHAB COc1ccccc1N(CC(=O)NCc1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 14357065 DOKFDMCZVOLNOZ-UHFFFAOYSA-N 442.512 3.654 0 40 IHAB COc1cc(/C=C/C(=O)NCc2ccco2)ccc1OS(=O)(=O)c1ccc(C)cc1 16020793 GFFHYEZDQQOCNK-XYOKQWHBSA-N 427.478 3.694 0 40 IHAB O=C(NC(=S)Nc1c(Br)cc(Br)cc1C(=O)O)c1ccco1 16430148 ADUMXTZIBUAUNM-UHFFFAOYSA-N 448.092 3.630 0 40 IHAB COc1cc(CN2CCCC[C@H]2c2cc(O)nc(-c3cccnc3)n2)cc(OC)c1OC 19549783 HTFCQVKFCOMAEN-IBGZPJMESA-N 436.512 3.997 0 40 IHAB CSCC[C@@H](NC(=O)c1cc2ccc(F)cc2[nH]1)c1cc(=O)[nH]c(-c2ccccn2)n1 19573901 UUHDWFHKPHDFCB-OAHLLOKOSA-N 437.500 3.677 0 40 IHAB Cc1nc(C2CCN(C(=O)c3[nH]nc4c3CCCCC4)CC2)nc2c1CCCN2CC1CC1 19706689 AXPBGZYKNVEOIS-UHFFFAOYSA-N 448.615 3.959 0 40 IHAB CCN(CC)C(=O)c1cnc([C@H]2CCN(C(=O)c3ccc4c(c3)ncn4C3CC3)C2)nc1C 19751785 GZJIMXJFAPAFAU-SFHVURJKSA-N 446.555 3.581 0 40 IHAB COc1ccc(NC(=O)c2cnc(C3CCN(C(=O)Cc4ccccc4)CC3)nc2C)cc1 19764201 KSUOSVQISMZHFB-UHFFFAOYSA-N 444.535 3.995 0 40 IHAB CCOc1cc([C@H](c2c(O)n[nH]c2C)c2c(C)n[nH]c2O)cc(Br)c1OC 19849007 PRJJDVDTYUCGMX-UHFFFAOYSA-N 437.294 3.511 0 40 IHAB O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)Nc1ccc(F)c(C(F)(F)F)c1 19930818 PMFLSJLYXAQLAG-UHFFFAOYSA-N 430.423 3.857 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(F)ccc2C)C1 20017462 HYPMYLMQHMXATH-CQSZACIVSA-N 440.924 3.836 0 40 IHAB COc1ccc([C@@H](CC(C)C)NC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 20110135 ZNHZGROJXWICMQ-HXUWFJFHSA-N 440.512 3.643 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCC(C)C)c2cccc(Br)c2)cc1 22276196 HHIQRAVDVMLIOD-UHFFFAOYSA-N 439.375 3.725 0 40 IHAB COc1cccc(CCCNC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c1 22374127 BLUUTDVCIIUWBX-UHFFFAOYSA-N 432.586 3.508 0 40 IHAB Cc1ccc(N(CC(=O)NCc2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 22430265 LWPNOPJZUSUIEM-UHFFFAOYSA-N 426.513 3.954 0 40 IHAB CN1CCN([C@H](CNS(=O)(=O)c2ccc(-c3ccccc3)cc2)c2ccsc2)CC1 22767217 GEFKBJSPHUDPGM-HSZRJFAPSA-N 441.622 3.682 0 40 IHAB O=c1ccc(-c2ccc(Br)cc2)nn1Cc1nc(-c2ccc(F)cc2)no1 23126874 WFTQGQKFURISNE-UHFFFAOYSA-N 427.233 3.910 0 40 IHAB CC(=O)c1ccc(NC(=O)[C@@H](C)N(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 23861394 XDDKLDJGGXUCKP-CYBMUJFWSA-N 437.418 3.685 0 40 IHAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 25638942 HFBOWLDESAJCEL-GOSISDBHSA-N 447.576 3.984 0 40 IHAB CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)Nc2ccccc2)CC1 29083679 VILWYPWLAVTYPT-SFHVURJKSA-N 435.590 3.510 0 40 IHAB COC(=O)C[C@H](NC(=O)c1csc(-c2cccc(OC)c2OC)n1)c1cccs1 29632888 QKYBVMJTLZUXMP-ZDUSSCGKSA-N 432.523 3.923 0 40 IHAB O=C(/N=c1\sccn1Cc1ccc(Cl)cc1Cl)c1cccnc1-n1cncn1 32906168 VMBRTGCNDTUXPB-MOHJPFBDSA-N 431.308 3.622 0 40 IHAB COc1ccc([C@H](CNC(=O)c2c3c(nc4ccccc24)CCCC3)N2CCOCC2)cc1 32969220 ATSTXCNPVADIPA-VWLOTQADSA-N 445.563 3.926 0 40 IHAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(N2C(=O)CCC2=O)cc1 32986051 YDFJVTGTAFLBFN-UHFFFAOYSA-N 436.386 3.636 0 40 IHAB COc1ccc(C(=O)OCc2cc(=O)n3oc(C)cc3n2)cc1NC(=O)c1cccc(C)c1 41089526 RFFNKDBLEQQSCT-UHFFFAOYSA-N 447.447 3.522 0 40 IHAB COCc1nn2c(c1-c1ccccc1)N=C(O)C[C@H]2C(=O)Nc1ccc(OC)cc1OC 49551585 LVUKSXKWTNQYME-SFHVURJKSA-N 436.468 3.885 0 40 IHAB COC(=O)C1=C(c2ccc(Cl)cc2)Nc2ncnn2[C@H]1c1cc(OC)ccc1OC 59227936 AVZWQJNOZXRWTQ-IBGZPJMESA-N 426.860 3.548 0 40 IHAB COc1cc2c(cc1NC(=O)N(CCO)CCOCC(F)(F)F)oc1ccccc12 72281190 MYKJNKJORIRZJB-UHFFFAOYSA-N 426.391 4.000 0 40 IHAB Cn1cc(CN2CC[C@H](c3cc(C(=O)NCCO)c4ccccc4n3)C2)c2cc(F)ccc21 72352652 GLCOSQFAXGHMCU-KRWDZBQOSA-N 446.526 3.577 0 40 IHAB C[C@@H](NC(=O)CN(Cc1ccccc1)Cc1ccccc1)c1ccc(S(C)(=O)=O)cc1 89904859 CRAIOAJOSMEPBD-HXUWFJFHSA-N 436.577 3.970 0 40 IHAB COc1ccc(-c2ccc3nc(C4CCN(C(=O)c5ccncc5)CC4)nn3c2)c(OC)c1 96267321 UZFNEEQRAWLNJQ-UHFFFAOYSA-N 443.507 3.828 0 40 IHAB O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 103504841 JZDXBOLFKZTUGS-DXXULGQJSA-N 430.548 3.900 0 40 IHAB CCOc1ccc(CCC(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1OCC 216391215 RDBGINGCXYEYSZ-UHFFFAOYSA-N 426.513 3.528 0 40 IHAB COc1ccc(NC(=O)[C@H](C)N(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)c(OC)c1 220246609 NIERDDWWQIKJSL-NSHDSACASA-N 447.340 3.804 0 40 IHAB CCOc1ccc(N([C@@H](CC)C(=O)N[C@@H]2CCCc3ccccc32)S(C)(=O)=O)cc1 220678939 SIZBXLKLMNXQQM-YADHBBJMSA-N 430.570 3.824 0 40 IHAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1ccccc1F 222538182 XXPVIMOSZHNHKM-QFIPXVFZSA-N 438.474 3.730 0 40 IHAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(F)cc1 222884800 YTZIZKWNIIOMFJ-XMMPIXPASA-N 434.511 3.763 0 40 IHAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 223002427 CAOCTEZWBRVWPU-KRWDZBQOSA-N 444.597 3.634 0 40 IHAB CCCSc1nnc(NC(=O)[C@@H](C)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)s1 223724075 CAPFFTMYHWHCBF-LLVKDONJSA-N 449.023 3.795 0 40 IHAB CC(C)Oc1ccc(N(CC(=O)NCCOc2ccccc2C(C)C)S(C)(=O)=O)cc1 223785318 QBIUIXOYQAYRKT-UHFFFAOYSA-N 448.585 3.558 0 40 IHAB CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)NCCc1ccc(F)cc1 224560724 YTWVTDKJERPGBM-UHFFFAOYSA-N 438.524 3.923 0 40 IHAB O=C(Nc1nnc(S(=O)(=O)NCC2CCCCC2)s1)c1ccc(Cl)cc1Cl 225206370 SGFACUWBJWBNEG-UHFFFAOYSA-N 449.385 3.956 0 40 IHAB Cc1ccc(-c2nnc(NC(=O)[C@H](C)N(c3cc(C)cc(C)c3)S(C)(=O)=O)s2)cc1 225213558 SXKORFKKWZAYIB-INIZCTEOSA-N 444.582 3.924 0 40 IHAB COc1ccc(C[C@@H]2C[C@@H]3NC(=O)CCCC[C@H]3N2C(=O)Cc2c[nH]c3ccccc23)cc1 257232678 GLXQNOLQHDJXPD-DCEDVJGZSA-N 445.563 3.990 0 40 IHAB CCCNC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(C(=O)[C@@H]2CCCCO2)CC1 257316915 VHNZVSFTMDNHMW-DEOSSOPVSA-N 449.595 3.995 0 40 IHAB CS(=O)(=O)N(CC(=O)NCCSC1CCCCC1)c1cccc(C(F)(F)F)c1 409027756 GYQIXXDZVZNPFY-UHFFFAOYSA-N 438.537 3.654 0 40 IHAB COc1cc(C(=S)N2C[C@H](C)O[C@H](C)C2)ccc1OCC(=O)Nc1cccc(C)c1 409249970 KMBWYWXJLPWNQZ-CALCHBBNSA-N 428.554 3.806 0 40 IHAB COCc1ccccc1-c1ccc2c(c1)C1(CCOCC1)CN2C(=O)CCCNC(C)=O 585105773 KQMNKUDYXDXVOW-UHFFFAOYSA-N 436.552 3.811 0 40 IHAB COc1ccc(CN2CCC3(CC2)CC(=O)N(Cc2ccncc2)c2cc(C)nn23)cc1 1772596416 FQLNQXRGPVLZFU-UHFFFAOYSA-N 431.540 3.523 0 40 IHAB O=C(CN1CCc2ccccc2C1)N1CCC[C@]2(CC1)CN(c1ccc(F)cc1)C(=O)O2 1848353120 HLHYUZWHBXOHSB-VWLOTQADSA-N 437.515 3.592 0 40 IHAB Cn1c(=O)n(CC(=O)N2CCCC[C@H]2c2ncc(Cc3ccc(F)cc3)o2)c2ccccc21 1848353309 SOEJTZIGJUCAGH-QFIPXVFZSA-N 448.498 3.812 0 40 IHAB C[C@@H]1OC2(C[C@@H]3CC[C@H](C2)N3c2ncc(C(F)(F)F)cc2Br)CN(C)C1=O 1888863522 LCLPRFFTHMCAKY-SGPKTVCVSA-N 448.283 3.610 0 40 IHAB CCn1nc(C)c(S(=O)(=O)N2CCC(c3ccc4cc(Cl)cnc4n3)CC2)c1C 1890847014 FFMBJLOVTRKZBF-UHFFFAOYSA-N 433.965 3.685 0 40 IHAB CO[C@@H]1CCN2C[C@@H]1CCCCN(Cc1ncccc1F)CCOc1cccc(c1)C2=O 2037980816 JJMSGWKNAFIQKJ-GBXCKJPGSA-N 441.547 3.763 0 40 IHAB O=C([C@@H]1C[C@H]1c1ccc(Cl)cc1)N1CC[C@H]2C[C@@H](CN3CC4(CCCCO4)C3)O[C@H]2C1 2056225840 CTDHASZEJCHPEF-ZRGHIBABSA-N 445.003 3.704 0 40 IHAB CCOC(=O)c1cccc(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2C)c1 676483 ZAWVRDPVGTVUEQ-UHFFFAOYSA-N 431.539 3.519 0 40 IHAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2ccncc2)n1CCCN(C)C 1224057 CSMUQVFJPNWSBC-UHFFFAOYSA-N 444.992 3.984 0 40 IHAB CC(C)(C)n1nnnc1[C@H](c1ccc2ncccc2c1)N1CCN(Cc2ccccc2)CC1 1337543 RNKWFQMHBVCLTE-DEOSSOPVSA-N 441.583 3.884 0 40 IHAB O=C(CSc1nnc(-c2cccnc2)n1Cc1ccco1)Nc1ccc(F)c(F)c1 2375151 GERMIICWDPLRNC-UHFFFAOYSA-N 427.436 3.990 0 40 IHAB Cc1cc(C)n2c(SCC(=O)Nc3cc(C(C)(C)C)nn3-c3ccccc3)nnc2n1 2637218 WPHDFAJKTDHPCY-UHFFFAOYSA-N 435.557 3.955 0 40 IHAB CC(=O)c1cccc(NC(=O)[C@@H](OC(=O)CNC(=O)c2ccccc2)c2ccccc2)c1 3244172 BDKMPLUIKSQQMU-QHCPKHFHSA-N 430.460 3.542 0 40 IHAB CCCOC(=O)c1cc(NC(=O)COc2ccc(CC)cc2)ccc1N1CCOCC1 4711638 BRJMNKAEFJAEGS-UHFFFAOYSA-N 426.513 3.670 0 40 IHAB CC(C)Sc1nc(N2CCCC2)c2cnn(CCNC(=O)c3ccc(F)c(F)c3)c2n1 8797602 KWERKBOAZIPXHF-UHFFFAOYSA-N 446.527 3.635 0 40 IHAB Cc1nc2c(=O)n(CC(=O)NCc3ccccc3Cl)nc(-c3ccc(F)cc3)c2s1 8955589 NIGYAAJZRCXQPA-UHFFFAOYSA-N 442.903 3.937 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2nc(C)c(C(=O)Nc3ccc4c(c3)OCCO4)s2)cc1 8978927 NTLJPOODBVRWHH-UHFFFAOYSA-N 445.522 3.584 0 40 IHAB CCCc1nnc2n1N[C@H](c1ccc(OC)cc1)[C@H](C(=O)Nc1ccccc1F)S2 9239104 VUZHNTIDJBJOQP-RTBURBONSA-N 427.505 3.776 0 40 IHAB COc1ccc(-n2nc3c(c2NC(=O)c2ccccc2Br)C[S@@](=O)C3)cc1 9413502 UTCSTTZWJWOSHI-MHZLTWQESA-N 446.326 3.658 0 40 IHAB CCc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)sc1C 9463187 VMTDGCVJLJXWIY-UHFFFAOYSA-N 428.579 3.919 0 40 IHAB Cc1ccccc1OCc1nnc(SCC(=O)NCc2ccccn2)n1-c1ccccc1 9468408 VGRIKTBLRBJNKG-UHFFFAOYSA-N 445.548 3.958 0 40 IHAB CCCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccc(Oc3ccccc3)cc2)n(C)c1=O 9519083 AQPQHVNJMJIDNN-QGZVFWFLSA-N 445.523 3.887 0 40 IHAB O=C(OCc1ccc(Cl)cc1Cl)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 9665532 JIHNAFYRLVLIFW-UHFFFAOYSA-N 448.299 3.510 0 40 IHAB O=C(Cn1cc(S(=O)(=O)c2ccc(F)cc2)c(=O)c2ccccc21)Nc1ccccc1 9856743 VJRZEAXJFHTSBQ-UHFFFAOYSA-N 436.464 3.612 0 40 IHAB COc1cccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(Cc3ccco3)C2=O)c1 9934163 NXMDWXZNNYFEBP-FQEVSTJZSA-N 437.427 3.794 0 40 IHAB CCOC(=O)c1c(-c2ccco2)csc1NC(=O)CSc1ncnc2c1cnn2C 11682545 PDWGIYWESWJFSU-UHFFFAOYSA-N 443.510 3.592 0 40 IHAB COc1ccc(C(=O)N2CCN(c3ccc(-c4ccc(Cl)cc4)nn3)CC2)c(OC)c1 11695270 MMILZQLJNPSQEP-UHFFFAOYSA-N 438.915 3.777 0 40 IHAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(SCC(=O)N2CCCC2)nn1 11792362 BJEINWPPTOJZGV-UHFFFAOYSA-N 441.340 3.515 0 40 IHAB COC(=O)C1=C(C)N(c2ccc(C)c(F)c2)C(=S)N[C@H]1c1ccccc1C(=O)OC 12557860 IYZWLCKJKHYFRH-IBGZPJMESA-N 428.485 3.804 0 40 IHAB C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)N1CCCc2ccccc21 12635244 SAXZSYMUTZDBMI-SFHVURJKSA-N 427.570 3.641 0 40 IHAB CCN(CC)[C@H](CNC(=O)[C@@H](C)NC(=O)c1ccc(Br)cc1)c1ccccc1 12737679 WEZVASVLRIONIU-OXQOHEQNSA-N 446.389 3.767 0 40 IHAB C[C@H]1CCCC[C@@H]1NC(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 12769131 WJCBDDLUXNNNMU-KSSFIOAISA-N 448.507 3.681 0 40 IHAB C[C@@H](Oc1ccccc1)c1nc2ccccc2n1C[C@H](O)CN1C(=O)c2ccccc2C1=O 12800571 FRGRJQVDPGDRSM-MSOLQXFVSA-N 441.487 3.833 0 40 IHAB CCNC(=O)CNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1Cl 12935475 INRRHYMWCIRDQR-UHFFFAOYSA-N 447.926 3.666 0 40 IHAB CC[C@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)N1CCCCC1 13556692 GLRBRGKHYINNPQ-RTNRFSENSA-N 443.613 3.578 0 40 IHAB CCOc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 13566853 KEFBRXMCZUKZAC-SFHVURJKSA-N 432.476 3.773 0 40 IHAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)C1 13648193 CAJUGKHOCZYFGS-RTBURBONSA-N 429.586 3.585 0 40 IHAB COc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1S(=O)(=O)N(C)C 14493442 PPNKDRHALBKSMO-UHFFFAOYSA-N 426.494 3.990 0 40 IHAB CC(C)[C@@H](NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1)c1cccs1 15182959 OAFUEYLVZNXHSK-QGZVFWFLSA-N 445.404 3.693 0 40 IHAB CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)Cc1ccc(Cl)c(Cl)c1 15202097 JDIARZHZDAJGPX-UHFFFAOYSA-N 427.353 3.766 0 40 IHAB C[C@@]12CCC(=O)N1[C@H](C(=O)/N=c1/sccn1Cc1ccc(Cl)cc1Cl)CS2 16044305 OOBBLBRPIGJGES-VAVIUPKFSA-N 442.393 3.786 0 40 IHAB O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)Nc1cccc(C(F)(F)F)c1 16399318 GPPFULWPCBHTKO-UHFFFAOYSA-N 442.459 3.944 0 40 IHAB COc1ccc(Br)cc1/C=C/C(=O)NC(=S)Nc1ccccc1C(=O)O 17099391 CAUUZYBQQVLAMA-RMKNXTFCSA-N 435.299 3.682 0 40 IHAB CCc1nc2ccccc2n1CC(=O)N(C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 18012392 DLMYBFLAXDSCFJ-UHFFFAOYSA-N 434.418 3.594 0 40 IHAB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2cccc(N3CCCC3=O)c2)c1 18092092 OEPFMAQSPFUQKX-UHFFFAOYSA-N 449.532 3.891 0 40 IHAB CC(C)c1ccc(CN2CCN(C(=O)CSc3nnc(-c4ccc[nH]4)o3)CC2)cc1 18366648 LGWSXDDMRGSWJC-UHFFFAOYSA-N 425.558 3.625 0 40 IHAB Cc1ccc([C@H](NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c2cccs2)cc1 19296757 USSPFKVDEFFJCK-DHLKQENFSA-N 445.544 3.656 0 40 IHAB O=C(c1ccc2ccccc2n1)N1CCC(O)(CN2CCCC[C@@H]2c2cccnc2)CC1 19376310 QBGOTWOVENCYRZ-XMMPIXPASA-N 430.552 3.824 0 40 IHAB CC(C)NC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CCN(C(=O)Cc2cccnc2)C1 19449266 NUINKLAGMNOBPO-HHHXNRCGSA-N 442.563 3.672 0 40 IHAB C[C@@H](C(=O)N1CCC[C@@H]1c1c(-c2ccnc(N3CCCC3)n2)cnn1C)c1ccccc1 19459234 BOFWTXUBOFAAAZ-XMSQKQJNSA-N 430.556 3.945 0 40 IHAB COc1ccc(CCC(=O)N2CC[C@H](c3cc(C(=O)N(C)C)c4ccccc4n3)C2)cc1 19754640 UJQWBGWAZHPCLF-IBGZPJMESA-N 431.536 3.894 0 40 IHAB Cc1nc([C@@H]2CCCN(C(=O)Cn3ccnc3C(C)C)C2)ncc1C(=O)Nc1ccccc1 19765271 KRVLRQGGXLSORF-LJQANCHMSA-N 446.555 3.763 0 40 IHAB CCCNC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 21319945 ZDGZVUWSOCYBQB-UHFFFAOYSA-N 443.569 3.643 0 40 IHAB C[C@H](OC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)C(=O)Nc1ccc(N2CCCCC2)cc1 21856916 SYDLVRIDEYHYDA-YWZLYKJASA-N 439.487 3.812 0 40 IHAB O=C(c1cncc(Br)c1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 22182830 HJVKYFRKJSDMNE-UHFFFAOYSA-N 443.370 3.926 0 40 IHAB C[C@@H](Sc1nc(CN2CCOCC2)nc2ccccc12)C(=O)Nc1cccc(F)c1 22188518 UQEUDCLKODQZMY-OAHLLOKOSA-N 426.517 3.720 0 40 IHAB COCCCNC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 22277011 LFYNGVDYDGMGHU-UHFFFAOYSA-N 445.368 3.650 0 40 IHAB O=C(NC[C@@H](c1ccccc1)N1CCCC1)C1CCN(C(=O)c2ccc(F)cc2F)CC1 22464443 JEAQZJHBOZMRMT-QHCPKHFHSA-N 441.522 3.770 0 40 IHAB CCN1CCN([C@H](c2ccc(Cl)c(Cl)c2)c2sc3nc(C)nn3c2O)CC1 22626843 JCACMNWLICGWOP-OAHLLOKOSA-N 426.373 3.839 0 40 IHAB CCC(CC)c1nnc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)s1 22691691 IPZMEPPCQOXQGH-CQSZACIVSA-N 442.632 3.851 0 40 IHAB CCN(CC)[C@H](CNC(=O)CNC(=O)c1ccc2ccccc2c1)c1cccc(OC)c1 22700671 CEAPOQSKSINANA-XMMPIXPASA-N 433.552 3.778 0 40 IHAB CCn1c(S[C@@H](C)C(=O)NC[C@@H]2CCCO2)nc2scc(-c3ccccc3)c2c1=O 23079941 IYLNXCOAEWILIJ-HOCLYGCPSA-N 443.594 3.921 0 40 IHAB CCOc1ccccc1NC(=O)C[C@H]1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21 23382425 VAZHFWWAMNZRDJ-NRFANRHFSA-N 441.491 3.947 0 40 IHAB COc1cc2ccccc2cc1C(=O)OCC(=O)Nc1cc(OC)c(OC)c(OC)c1 28784616 JQLMPMQOXYZXRG-UHFFFAOYSA-N 425.437 3.670 0 40 IHAB CN(CC(=O)Nc1cccc(F)c1)CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 31202475 BDXVCEWZKPVUBY-SFHVURJKSA-N 440.500 3.728 0 40 IHAB COc1ccc(S(=O)(=O)Nc2cccc(NS(=O)(=O)c3ccc(C)c(C)c3)c2)cc1 32778242 AKIACSZSOHAJDA-UHFFFAOYSA-N 446.550 3.914 0 40 IHAB CC(C)(C)NS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1 32882899 PDXJYCONFSRVMJ-QGZVFWFLSA-N 440.569 3.660 0 40 IHAB COc1ccc([C@H]2CCCN2C(=O)C2CCN(C(=O)c3cccs3)CC2)cc1OC 32895183 MALZJHPKIYWVJI-GOSISDBHSA-N 428.554 3.981 0 40 IHAB Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)C[C@H]2OC(=O)c3ccccc32)c1C 32970884 NEGLQHYFZLXSIN-PGRDOPGGSA-N 436.508 3.551 0 40 IHAB O=C(c1cc(S(=O)(=O)N2CCCC2)c[nH]1)N(CCc1ccccc1)Cc1ccccc1 39994096 GSAIHPCQFCETBC-UHFFFAOYSA-N 437.565 3.684 0 40 IHAB O=C(NCC1CC1)[C@H]1CCCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)C1 40150111 ZPTWINUSDRVTRN-SFHVURJKSA-N 434.565 3.979 0 40 IHAB COc1cccc(-c2noc(Cn3ccn4nc(-c5ccc(C)c(C)c5)cc4c3=O)n2)c1 44166459 IHWOCKWFDNDXAQ-UHFFFAOYSA-N 427.464 3.887 0 40 IHAB O=C(NCc1ccco1)[C@@H]1CCCN(c2nc3c(-c4ccccc4)csc3c(=O)[nH]2)C1 49421175 RXDSQNJJBXOECR-MRXNPFEDSA-N 434.521 3.777 0 40 IHAB O=S(=O)(CCNCc1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccccc1 57993499 TVEYDMIUFMITQL-UHFFFAOYSA-N 432.549 3.557 0 40 IHAB Cc1cc(C)n(CC(=O)Nc2cc(F)ccc2Cl)c(=O)c1S(=O)(=O)c1ccccc1 67255280 CZGXEXNWXGJGAP-UHFFFAOYSA-N 448.903 3.729 0 40 IHAB CSc1ccc([C@H]2NC(=O)N(CC(=O)Nc3ccccc3Cl)C3=C2C(=O)OC3)cc1 71326794 ICHDNWOBOCJZJL-LJQANCHMSA-N 443.912 3.578 0 40 IHAB C[C@](O)(CNC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1)c1ccc(F)cc1F 72285041 ATBXKIJJMSWDIG-IBGZPJMESA-N 436.256 3.755 0 40 IHAB CC(=O)N1CCC[C@H]1C(=O)N(Cc1ccc(OCCC(C)C)cc1)CC(C)(C)N(C)C 72285175 ZIWFJKUDCMEMIC-QHCPKHFHSA-N 431.621 3.791 0 40 IHAB Cc1cc(Nc2ncccc2C)cc([C@@H]2CCCN2S(=O)(=O)c2c(C)noc2C)n1 72372686 YVKQBGDWPJTMLO-IBGZPJMESA-N 427.530 3.968 0 40 IHAB COc1ccccc1C1(CNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)CCOCC1 77200792 VLACUSPLFNLOCV-UHFFFAOYSA-N 443.487 3.882 0 40 IHAB CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)C2(CCCCC2)C1 79048731 WPPVIMOUHSMQIB-UHFFFAOYSA-N 434.562 3.507 0 40 IHAB CCOC(=O)Cc1csc(NC(=O)[C@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)n1 89984707 YEMFPMHWXKHIMG-GOSISDBHSA-N 445.541 3.722 0 40 IHAB COc1cccc(NC(=O)COc2ccc(C(=O)N(C)CCc3ccccc3O)cc2)c1 96010918 HTXBNFGAEOTCRL-UHFFFAOYSA-N 434.492 3.733 0 40 IHAB Cc1sc2nc(/C(=C/c3cnn(-c4ccccc4)c3)C(=O)N3CCCC3)[nH]c(=O)c2c1C 97998085 KNSMBTOOHQNCMB-UNOMPAQXSA-N 445.548 3.950 0 40 IHAB CCn1c(SCC(=O)NC2CCCC2)nnc1[C@H](NC(=O)c1cccc(C)c1)C(C)C 107919939 LTBQIPVNLPIAMJ-HXUWFJFHSA-N 443.617 3.884 0 40 IHAB Cc1ccc(Cl)cc1-c1ccc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)o1 214280416 BWKUQOPIPBDHTE-WOJGMQOQSA-N 446.912 3.804 0 40 IHAB CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)COc1ccccc1OC 224032521 JFMRTUYCLKGOEJ-NRFANRHFSA-N 426.557 3.840 0 40 IHAB COc1cccc(CN(C(=O)COc2cccc(Cl)c2)[C@H](C)C(=O)NCC(C)C)c1 224451629 CERCFWCEYBUTJI-QGZVFWFLSA-N 432.948 3.917 0 40 IHAB CCOC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(SC)cc1 224985460 POUYBTFGALWVGW-UHFFFAOYSA-N 429.947 3.829 0 40 IHAB CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(OC)c(OC)c1 225002980 IKKFXQHFZCMCJQ-GOSISDBHSA-N 442.556 3.589 0 40 IHAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)N[C@@H](C)c3cc(C)ccc3C)s2)cc1 225564977 IEIXRCJTCHVKAZ-HNNXBMFYSA-N 430.555 3.755 0 40 IHAB COc1cccc(NS(=O)(=O)c2cc(Br)c(N)c(Br)c2)c1 226318476 MQZFQFPQSBYDEC-UHFFFAOYSA-N 436.125 3.603 0 40 IHAB Cc1nc2sccn2c1CN1CCC[C@@H](c2n[nH]cc2C(=O)N2CCCCCC2)C1 257273044 NEYXJXUGRDGLBH-QGZVFWFLSA-N 426.590 3.823 0 40 IHAB Cc1cc(Cc2cccc(C(F)(F)F)c2)cc([C@@H]2CN(C(=O)CN3CCCC3)CCO2)n1 257278135 OAYIZLVGHSZPIJ-QFIPXVFZSA-N 447.501 3.995 0 40 IHAB COc1ccc(F)cc1-c1cccc(CC2(C(=O)N3CCC[C@@H](O)C3)CCOCC2)c1 257334586 YGOSGUPQYLEXFS-OAQYLSRUSA-N 427.516 3.824 0 40 IHAB NC(=O)c1ccccc1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 409026284 KZBMEYKMHIOSAJ-DEOSSOPVSA-N 431.517 3.812 0 40 IHAB Cn1ccc2ccc(NC(=O)c3cccc(NC(=O)[C@H]4Cc5ccccc5O4)c3)cc2c1=O 560837262 RSWQNEIQEFBDKL-HSZRJFAPSA-N 439.471 3.733 0 40 IHAB O=C(CC1(n2cccc2)CCOCC1)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 604419687 SMVCRJRORDRPFL-UHFFFAOYSA-N 436.474 3.913 0 40 IHAB O=C(c1cc(C2CCCCC2)no1)N1CCC[C@@]2(C[C@@H](O)[C@H](c3ccccc3)NC2=O)C1 2037873415 IQDSIFXPFYENBM-JLRUASKGSA-N 437.540 3.567 0 40 IHAB CCOC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCCC3 755285 BDKLYPZPJIESKV-UHFFFAOYSA-N 430.551 3.990 0 40 IHAB Cc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)c3cccc(F)c3)n2)cc1 1372789 KEJMMVUZWPWILK-UHFFFAOYSA-N 430.443 3.679 0 40 IHAB CC[C@H](C)N1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2ccc(OC)cc2OC)C1=O 2156791 LCDZIVQXIKMJTE-PUAZMWONSA-N 447.535 3.669 0 40 IHAB biogenic O=c1c(Cl)c(N2CCN(c3ccc(F)cc3)CC2)cnn1-c1nc2ccccc2s1 2206365 LIEBNEQNPMWFSP-UHFFFAOYSA-N 441.919 3.961 0 40 IHAB aggregator Cc1csc(NC(=O)c2cccnc2SCC(=O)Nc2ccc3c(c2)OCO3)n1 3248796 LCKMLIYADQDENV-UHFFFAOYSA-N 428.495 3.558 0 40 IHAB COc1ccccc1NC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1C[C@H]1CCCO1 3534015 SRYFJOMVAXRWPZ-HZPDHXFCSA-N 439.537 3.703 0 40 IHAB CC(C)(C)NC(=O)[C@@H](c1ccccn1)N(C(=O)c1ccc2c(c1)OCCO2)C1CCCC1 4093226 DTYMTGIMKZFPIK-JOCHJYFZSA-N 437.540 3.894 0 40 IHAB COc1ccc(NC(=O)/C(Cl)=C(/Cl)S(=O)(=O)Cc2ccc(Cl)cc2)cn1 6181880 MXKMOMSIUHSPMI-CCEZHUSRSA-N 435.716 3.944 0 40 IHAB CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)N3CCCCC3)cc2c1 6198330 KRLADMIXNDNSGJ-HSZRJFAPSA-N 446.530 3.840 0 40 IHAB Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3CCCCC3)cc2c1 6300869 HUQOPDRBMSLDQW-QHCPKHFHSA-N 428.540 3.755 0 40 IHAB COC(=O)C1=C(C)N=c2s/c(=C/c3cccc4ccccc34)c(=O)n2[C@@H]1c1ccccc1 8425829 GKIVQYRQZVDMQG-JDCXBEBJSA-N 440.524 3.561 0 40 IHAB COCCN1C(=O)c2n[nH]c(-c3cc(Cl)c(C)cc3O)c2[C@H]1c1ccc(O)c(OC)c1 8845399 XYJYNKAXPJDLSJ-OAQYLSRUSA-N 443.887 3.650 0 40 IHAB Cc1cc(N2CCN(C(=O)Cc3c(C)c4ccc(O)cc4oc3=O)CC2)nc2ccccc12 8991108 QZWAKJKCNJMKFR-UHFFFAOYSA-N 443.503 3.555 0 40 IHAB Cc1ccc(NCC(=O)Nc2ccc(F)c(F)c2)cc1S(=O)(=O)N1CCCCCC1 9368421 FYODFNZVNUOTID-UHFFFAOYSA-N 437.512 3.889 0 40 IHAB COc1ccc(OC)c(NC(=O)CSc2ccc3nnc(-c4ccc(C)cc4)n3n2)c1 9415081 QNJNOCMGIAJQMR-UHFFFAOYSA-N 435.509 3.848 0 40 IHAB O=C(Nc1ccccc1NC1CCCCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 9467000 IFQRCGBXFDFFJP-UHFFFAOYSA-N 443.569 3.704 0 40 IHAB COc1ccccc1NC(=O)CN(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 9491365 GFAFGGXCYRBRRF-UHFFFAOYSA-N 429.826 3.876 0 40 IHAB CC(C)c1ccc(NC(=O)CSc2nnc(-c3cc(-c4ccccc4)n[nH]3)n2N)cc1 9540821 PDOCPPDMAFOCOP-UHFFFAOYSA-N 433.541 3.903 0 40 IHAB COc1c(F)c(F)cc2c(=O)c(C(=O)Nc3ccc4oc(=O)ccc4c3)cn(C3CC3)c12 9577540 CVYDGMUHUBDCFJ-UHFFFAOYSA-N 438.386 3.982 0 40 IHAB O=C(NCc1ccco1)[C@H](C(=O)c1cccc(Br)c1)n1cc(Cl)ccc1=O 9601245 ITRGMLCARBIONI-KRWDZBQOSA-N 449.688 3.598 0 40 IHAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)/C=C/c1ccc(Cl)cc1Cl 9639543 MNHKZQOKCOUEAS-WEVVVXLNSA-N 429.325 3.904 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 9676662 ODWOEGWPZQLJBN-UHFFFAOYSA-N 443.352 3.585 0 40 IHAB C[C@@H](Sc1nnc(C(F)(F)F)n1N)C(=O)Nc1ccc(OCc2ccccc2)cc1 9792804 ZXSIZSJPBRGMOZ-GFCCVEGCSA-N 437.447 3.709 0 40 IHAB O=C(CSc1nnc(CN2CCCCC2)n1-c1ccc(F)cc1)NC1CCCCC1 9881992 ALIOEBDGYVFGEY-UHFFFAOYSA-N 431.581 3.933 0 40 IHAB Cc1ccc([C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)C2CC2)cc1 11234587 RNHUEVDOKHPVOC-JOCHJYFZSA-N 430.545 3.802 0 40 IHAB COCCCn1c(SCc2nc(-c3ccc(OC)cc3)no2)nc2ccccc2c1=O 11550371 QGUWSHRPZHYIOQ-UHFFFAOYSA-N 438.509 3.784 0 40 IHAB COc1ccc(OC)c(NC(=O)CSc2ccc(NC(=O)c3cccs3)nn2)c1 11739390 JAGKXEFXIHNCJT-UHFFFAOYSA-N 430.511 3.538 0 40 IHAB COc1cccc(CC(=O)N2CCC(c3nc4sc5c(c4c(=O)[nH]3)CCCC5)CC2)c1 12129087 QGRMMPRJURVUON-UHFFFAOYSA-N 437.565 3.821 0 40 IHAB O=C(CNc1ccccc1C(=O)NCc1ccc2c(c1)OCO2)Nc1ccc(F)cc1F 12523512 RAOVPSAPLZXPIM-UHFFFAOYSA-N 439.418 3.674 0 40 IHAB O=C(c1cccs1)N1CCC(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)CC1 12599118 POVWNJGVLMJQGQ-SFHVURJKSA-N 426.538 3.735 0 40 IHAB O=C(c1ccc(Cl)cc1N1CCCC1=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 12697380 BYARHOVDSGDBOA-UHFFFAOYSA-N 438.915 3.587 0 40 IHAB COc1cc(SC)ccc1C(=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 12750094 ZZEUWKBBQQXQPI-UHFFFAOYSA-N 427.522 3.923 0 40 IHAB O=C(COc1ccc(F)cc1Cl)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 12771408 GAPLDYJFQFMCHC-UHFFFAOYSA-N 426.897 3.671 0 40 IHAB O=C(c1ccc(S(=O)(=O)C(F)F)cc1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 12801491 ZATISWSBDQXTLW-KRWDZBQOSA-N 437.464 3.822 0 40 IHAB COCCCn1c(SCc2noc(-c3ccco3)n2)nc2sc3c(c2c1=O)CCC3 12918281 SWJPONOGMCEYEJ-UHFFFAOYSA-N 444.538 3.919 0 40 IHAB CCOc1ccc(OCCC(=O)OCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1 12929062 XCVMIRQUDRBOPR-UHFFFAOYSA-N 437.496 3.839 0 40 IHAB O=C(CCn1c(=O)oc2cc(Cl)ccc21)Nc1nc2ccccc2nc1N1CCCC1 13020837 RAWDBCMYWHXBAE-UHFFFAOYSA-N 437.887 3.820 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(NC(=O)CCc2ccc(OC)c(OC)c2)ccc1C 13139123 CBJNZZLMNLJMJC-UHFFFAOYSA-N 434.558 3.614 0 40 IHAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)O[C@H](C)C(=O)Nc1ccc(F)cc1Cl)(C3)C2 13148986 JKYBZCXUAMSLEM-AGGFMBIDSA-N 436.911 3.824 0 40 IHAB CCC(C)(C)n1nnnc1[C@H](c1cccc(F)c1)N1CCN(c2ccccc2OC)CC1 13561756 NGERVSLIJXLCQE-QFIPXVFZSA-N 438.551 3.878 0 40 IHAB Cc1ccc2nc(-c3ccccc3)cc(C(=O)N3CCN(CC(=O)N4CCCC4)CC3)c2c1 14247000 UTZWTNDDQXNQEQ-UHFFFAOYSA-N 442.563 3.590 0 40 IHAB O=S(=O)(c1cccc(Br)c1)N1CCN(c2nc3ccccc3s2)CC1 14250346 AZUHHELRMUPRRH-UHFFFAOYSA-N 438.372 3.570 0 40 IHAB COc1ccc([C@H](NC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)c2nccn2C)cc1 16476698 BQVMIPOAFKLOOY-NRFANRHFSA-N 441.915 3.692 0 40 IHAB C[C@@H]1C[C@@H](C)CN(c2sc(S(C)(=O)=O)nc2S(=O)(=O)c2ccc(Cl)cc2)C1 17244987 SVNXDWKLDMLSNG-VXGBXAGGSA-N 449.019 3.515 0 40 IHAB Cc1nn(CC(C)C)c2sc(C(=O)NCc3ccc(CN4CCOCC4)cc3)cc12 18217333 SIOSHAOJGHOBNL-UHFFFAOYSA-N 426.586 3.824 0 40 IHAB Cc1cnccc1-c1cnc(N(C)C)nc1[C@H]1CCCN1C(=O)c1ccc(N(C)C)cc1 19239850 TXPIIYFEURWDPX-JOCHJYFZSA-N 430.556 3.956 0 40 IHAB Cc1nc(C)c(C(=O)N[C@H](Cc2cc(=O)[nH]c(-c3ccccn3)n2)c2ccccc2)s1 19560230 UJFIYNDJJCTWAY-LJQANCHMSA-N 431.521 3.619 0 40 IHAB COCc1ccc(OC)c(CN2CCC[C@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)c1 19594341 FOKXKGDTTXVOHN-VDZJLULYSA-N 439.482 3.633 0 40 IHAB CCOc1ccc(Cc2ccc([C@H]3CCCN(C(=O)Cn4nc(C)nc4C)C3)nc2)cc1 19690382 FNZOYNJCUCAODR-QFIPXVFZSA-N 433.556 3.686 0 40 IHAB Cc1cccc(CN2CCC[C@H](c3nc(N(C)C)ncc3-c3ccc(C(N)=O)cc3)C2)c1 19694550 FOZFHVPTFHPZKW-QFIPXVFZSA-N 429.568 3.997 0 40 IHAB CN(C)c1ncc(-c2ccc(N)nc2)c(C2CCN(C(=O)CCc3ccc(F)cc3)CC2)n1 19694877 JZQHJLIQDIGYGO-UHFFFAOYSA-N 448.546 3.665 0 40 IHAB COc1ccc(-c2nc3nc4c(cn3n2)C(=O)C[C@@H](c2ccc(OC)cc2OC)C4)cc1 19816931 IFCPGEZCUHTOMM-HNNXBMFYSA-N 430.464 3.730 0 40 IHAB CCCC[C@@]1(C(=O)OC)N[C@@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 20150656 ULJQRIQFIWZTKL-OYSWMMLKSA-N 434.536 3.856 0 40 IHAB C[C@@H]1[C@@H](NC(=O)c2ccccc2)CC[C@]2(C)CC[C@H]([C@H](C)C(=O)N3CCCC3)[C@H](O)[C@@H]12 20466320 UAPMLPUGFYFEKS-YWHDMBOESA-N 426.601 3.867 0 40 IHAB biogenic,in-vitro Cc1nn2c(=O)cc(COc3cccc(NC(=O)c4ccc(Cl)cc4)c3)nc2s1 20859118 XYNAFBZQKXTYGI-UHFFFAOYSA-N 426.885 3.944 0 40 IHAB COc1cc(OC)c(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)cc1Cl 21973772 HNYUWEKYSQJJHI-UHFFFAOYSA-N 425.190 3.830 0 40 IHAB CCS(=O)(=O)c1ccc(NC(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)cc1 22285993 XXHDOEUBXVIQMY-UHFFFAOYSA-N 447.516 3.740 0 40 IHAB CCN(CC)[C@@H](CNC(=O)C[C@@H]1Sc2ccccc2NC1=O)c1cccc(OC)c1 22700916 DBCOHNAFJVEPFS-FPOVZHCZSA-N 427.570 3.697 0 40 IHAB CCc1ccccc1NC(=O)CN1CCN([C@@H](C)c2nnc(-c3ccc(C)cc3)o2)CC1 22929770 JZJLVGOCQBXANO-IBGZPJMESA-N 433.556 3.925 0 40 IHAB NC(=O)c1ccc(NC(=O)[C@@H]2CCCN(c3ccc(-c4ccc(Cl)cc4)nn3)C2)cc1 23142739 SFKVUJVXEUMBOQ-QGZVFWFLSA-N 435.915 3.751 0 40 IHAB CN1C(=O)N(CC(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)C(=O)C12CCCCC2 23269117 QVZBXVUVTUUSKI-UHFFFAOYSA-N 431.496 3.765 0 40 IHAB O=C(Nc1nc(CN2CCCCCC2)cs1)c1cccc(NC(=O)[C@H]2CCCO2)c1 24830501 KIIYHTJJGGEOOR-LJQANCHMSA-N 428.558 3.889 0 40 IHAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 24871633 NHNYFVAXKXZGPD-ZDUSSCGKSA-N 437.587 3.522 0 40 IHAB O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NCc1ccc(Br)s1 25474255 XNQFFXJBGSRDJY-UHFFFAOYSA-N 429.645 3.661 0 40 IHAB CCCc1noc(CCC(=O)Nc2cc(NC(=O)c3ccc4c(c3)OCO4)ccc2F)n1 30450597 XCXRQKFLOFJBGH-UHFFFAOYSA-N 440.431 3.714 0 40 IHAB CC1=C[C@@H](CNS(=O)(=O)Cc2ccccc2)[C@H](C(C)C)C[C@H]1CC(=O)N1CCCC1 30881500 MLLZWBSZKXPYSZ-VABKMULXSA-N 432.630 3.973 0 40 IHAB biogenic,in-vitro C[C@H]1Cc2cc(C(=O)N3CCC[C@@H]3c3nc4ccccc4s3)ccc2N1S(C)(=O)=O 31390617 SUIUKDOCRYHHKO-IFXJQAMLSA-N 441.578 3.984 0 40 IHAB C[C@H](Sc1nc(O)c2cnn(-c3ccccc3)c2n1)C(=O)Nc1c(F)cccc1F 32774470 UESYIXFLYFBYOZ-NSHDSACASA-N 427.436 3.919 0 40 IHAB C[C@H](Nc1nc(CN2CCOCC2)nc2sc3c(c12)CCC3)c1ccc2c(c1)OCO2 32874047 YBBCOQDZUDJARA-AWEZNQCLSA-N 438.553 3.914 0 40 IHAB O=C(NC1CCCCCC1)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 33028165 GBCJKOVWAFTRKZ-UHFFFAOYSA-N 430.526 3.711 0 40 IHAB CCOc1ccc(NC(=O)CN(CC)S(=O)(=O)c2ccc(OCC)c(Cl)c2)cc1 39986527 UQALJILRZUMILD-UHFFFAOYSA-N 440.949 3.787 0 40 IHAB O=C(CSCc1nc2ccccc2s1)NC1CCN(C(=O)c2ccccc2)CC1 40013531 ZJYPSYGVLMEYMX-UHFFFAOYSA-N 425.579 3.951 0 40 IHAB COC(=O)c1cc(F)ccc1NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cccc(F)c1F 40267000 AAOWJLXITPPMDP-IBGZPJMESA-N 430.386 3.793 0 40 IHAB O=C1C[C@H](C(=O)Nc2cccc(Cl)c2)c2c(nc(Nc3ccc(Cl)cc3)[nH]c2=O)N1 40399206 MWJZZNYEIWZRFK-AWEZNQCLSA-N 444.278 3.885 0 40 IHAB COC(=O)Cn1c2c(sc1=O)[C@H](c1ccccc1)CC(=O)N2c1cc(F)c(F)c(F)c1 49546285 FCVITRRNJMUFQK-ZDUSSCGKSA-N 448.422 3.700 0 40 IHAB CC(C)Cn1c(=O)c2sccc2n(CC(=O)Nc2ccccc2C(F)(F)F)c1=O 57486024 UGJZXYWKFZXZKR-UHFFFAOYSA-N 425.432 3.538 0 40 IHAB COc1ccc2c(c1)OC1(CCN(C(=O)c3oc(C(C)(C)C)cc3C)CC1)CNC2=O 72393337 VFTQJVQMTKGTAZ-UHFFFAOYSA-N 426.513 3.691 0 40 IHAB Cc1ccc(C2(CN3CCC(NC(=O)CSc4nnc(C)o4)CC3)CCCC2)cc1 72393530 VXRSPZXPSYYNCC-UHFFFAOYSA-N 428.602 3.871 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)c2nnn(-c3ccc(Br)cc3)n2)cc1 77100496 PBJVEHKBRPNEJI-UHFFFAOYSA-N 444.289 3.634 0 40 IHAB CC(=O)N[C@@H]1CCCN(C(=O)COc2ccc(-c3ccc(Br)cc3)cc2)C1 84752990 DSIDFLXZNQQVDA-LJQANCHMSA-N 431.330 3.622 0 40 IHAB C[C@H]1CC[C@H]2C(=O)N(c3ccc(OC(=O)[C@@H]4CC(=O)N(c5ccccc5)C4)cc3)C(=O)[C@@H]2C1 95483131 AZDCWFCABWWOPR-LFWOZUSOSA-N 446.503 3.571 0 40 IHAB O=C(CCS(=O)(=O)c1ccccc1)Nc1ccccc1Cc1nc(-c2ccco2)no1 96119690 GENCZEXRIXYQTP-UHFFFAOYSA-N 437.477 3.723 0 40 IHAB COc1ncc(C2(O)[C@H]3CCC[C@H]2CN(Cc2ccc(Cl)c(Cl)c2)C3)c(OC)n1 100149495 DBVJWZUYLJRMAV-GJZGRUSLSA-N 438.355 3.920 0 40 IHAB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1)c1ccc(Cl)cc1 100555652 VXTQJGWQXOUNOF-LATRNWQMSA-N 437.879 3.915 0 40 IHAB COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)NCCCn4ccnc4)c3N2)cc1 100594828 VNWPAHHRXQZSNJ-ZWKOTPCHSA-N 448.449 3.569 0 40 IHAB COc1cccc(Cn2c(=O)[nH]c3ccccc3/c2=N\C(=O)Nc2ccccc2OC)c1 101113920 LCXUJEIZRIMZKW-HPNDGRJYSA-N 430.464 3.528 0 40 IHAB CC(=O)c1cccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H]([C@H]6C[C@H]56)[C@@H]4C3=O)c2)c1 102530752 GZKUFCZDPHINBR-AJIIZAQNSA-N 426.472 3.699 0 40 IHAB COc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)NCCc5nnc6ccccn56)(C4)C2)C3)cc1 102884255 RJZLUZZRHJMBLJ-JKRLWXMKSA-N 430.552 3.935 0 40 IHAB O=C(c1ccc(Cn2ccccc2=O)o1)N1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 107525199 RCTGAWVVXCJCAZ-FYYLOGMGSA-N 431.536 3.616 0 40 IHAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(Br)cc1O 205766256 PEAUCGNQHBDSIQ-MKMNVTDBSA-N 444.303 3.541 0 40 IHAB CCOC(=O)c1ccc(C)c(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1 219984572 OTGCQSVQZAOSLX-UHFFFAOYSA-N 430.526 3.599 0 40 IHAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H](C)N(c1cccc(C)c1)S(C)(=O)=O 220150452 OSSIYDFCKWDVGM-OXQOHEQNSA-N 446.569 3.577 0 40 IHAB COc1ccc(NC(=O)[C@H](C)N(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1OC 220191453 FBXUGBRMBKWHIR-LBPRGKRZSA-N 446.447 3.516 0 40 IHAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1OC 222499705 FVRPWMCKGCWZAM-GHTZIAJQSA-N 442.556 3.805 0 40 IHAB CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)COc1cc(C)c(Cl)c(C)c1 223448126 OZITVQCWOFVDPO-FQEVSTJZSA-N 432.948 3.898 0 40 IHAB CCc1ccc(N(CCCC(=O)NCCOc2cccc(C)c2C)S(C)(=O)=O)cc1 223958175 YXFBVEKOINSHCO-UHFFFAOYSA-N 432.586 3.607 0 40 IHAB CCSc1nnc(NC(=O)[C@H](CC)N(c2cc(Cl)ccc2C)S(C)(=O)=O)s1 224048240 RVRHQHIKKMKLTP-LBPRGKRZSA-N 449.023 3.795 0 40 IHAB CC[C@@H](C(=O)NCCOc1ccc(C)c(Cl)c1)N(c1ccc(C)cc1)S(C)(=O)=O 224157526 REGAJSOMTFFVET-FQEVSTJZSA-N 438.977 3.697 0 40 IHAB COc1ccccc1CNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 224422436 ANWFGHBNCONQJX-UHFFFAOYSA-N 438.549 3.754 0 40 IHAB Cc1ccc(C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1N(C)S(C)(=O)=O 225174457 IBAHBAKCCJHITN-UHFFFAOYSA-N 433.555 3.600 0 40 IHAB COc1ccc(NC(=O)Cc2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c(OC)c1 225981223 ZXKRHCVQWCMFDJ-UHFFFAOYSA-N 440.521 3.710 0 40 IHAB Cc1ccc(Oc2cc(F)ccc2O[C@@H]2CCC[C@@H](NC(=O)CCC(=O)O)[C@H]2O)cc1 257248349 JDGFMAJBVXLXOP-LYHRCORUSA-N 431.460 3.568 0 40 IHAB CCc1nccn1-c1cccc([C@H]2CCCN2C(=O)COCc2nc3ccccc3n2C)n1 257305741 SRHJYJLIXTVSHE-OAQYLSRUSA-N 444.539 3.597 0 40 IHAB COc1cccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2cc(C)ccc2OC)c1 409390349 URYYAGALFFSVMK-UHFFFAOYSA-N 440.521 3.846 0 40 IHAB Cc1nc(-c2cccc(NC(=O)c3cccc(NC(=O)[C@H]4Cc5ccccc5O4)c3)c2)n[nH]1 617163981 XYISMMJIIZPZOV-JOCHJYFZSA-N 439.475 3.975 0 40 IHAB COc1ccc(CCN2C(=O)C[C@H]3[C@H](CNC(=O)NCc4ccccc4)[C@@H](C)C[C@H]32)cc1 1775964422 RTGCVAGBGWKOBN-PVERMEFCSA-N 435.568 3.610 0 40 IHAB biogenic,in-vitro FC(F)(F)c1cccc(N2CCN(C3CCN(CCOc4ccccc4)CC3)CC2)n1 1888897357 LSXUIKGBRPXXJP-UHFFFAOYSA-N 434.506 3.766 0 40 IHAB CO[C@@H]1CCCN2C(=O)c3ccccc3OCCN(Cc3c(C)noc3C)CCCC[C@H]12 2037981162 XJABVYKTLWGLQV-ISKFKSNPSA-N 441.572 3.976 0 40 IHAB Fc1cccc(-c2cc3nc4c(c(N5CCN(c6cnccn6)CC5)n3n2)CCCC4)c1 1341670 GHJCXMFCHNYXMH-UHFFFAOYSA-N 429.503 3.531 0 40 IHAB Cc1ccc(CN(C[C@@H]2CCCO2)C(=O)CN2C(=O)[C@@H](C(C)C)Oc3ccccc32)o1 1362031 LHIXRGFSBQWCNU-FDDCHVKYSA-N 426.513 3.546 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(C)cc3)s2)cc1 3227475 HIKLMVHSMRTKOZ-UHFFFAOYSA-N 430.555 3.796 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(C)ccc1NC(=O)c1c(F)c(F)c(F)c(F)c1F 3235299 VBYPSMWJCSMALV-UHFFFAOYSA-N 436.402 3.973 0 40 IHAB CN1CCC(N(C)Cn2nc(-c3ccc4c(c3)OCO4)n(-c3ccccc3)c2=S)CC1 3310204 DKDAVKOMNATKSN-UHFFFAOYSA-N 437.569 3.782 0 40 IHAB Cc1ccc(C(=O)OCC(=O)c2c[nH]c3ccccc23)cc1S(=O)(=O)N1CCCCC1 3345988 BHMSRWLACOLRFN-UHFFFAOYSA-N 440.521 3.691 0 40 IHAB Cc1ccc(-n2ncc(C(N)=O)c2NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 3356942 YAOXTJPTWKWMQG-UHFFFAOYSA-N 435.553 3.704 0 40 IHAB O=C(CSc1cn(CCNC(=O)c2cccs2)c2ccccc12)NC[C@@H]1CCCO1 6528979 MTYFPMXVVIGDEP-INIZCTEOSA-N 443.594 3.520 0 40 IHAB CC[C@H](C(=O)NCCn1ncc2c(N3CCCCC3)nc(SC)nc21)c1ccccc1 8946140 DYAPIWSKTXIBRZ-SFHVURJKSA-N 438.601 3.849 0 40 IHAB CCN1CCN(c2ccc(Cl)cc2NC(=O)COc2ccc(C(C)=O)cc2OC)CC1 9255481 UQGXSQRHLBFEMX-UHFFFAOYSA-N 445.947 3.711 0 40 IHAB COc1ccc(C(=O)Nc2c3c(nn2-c2cccc(C)c2C)C[S@@](=O)C3)cc1OC 9413958 SYIAHCAEDNQCJD-SSEXGKCCSA-N 425.510 3.521 0 40 IHAB COc1ccc2c(C)c(CC(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)c(=O)oc2c1 9481615 JWQZGCDKPFYGSS-UHFFFAOYSA-N 441.911 3.816 0 40 IHAB CN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)C[C@H]1OC(=O)c2ccccc21 9814437 CSQCQRMWYIBXNC-HXUWFJFHSA-N 442.537 3.880 0 40 IHAB Cc1ccc(CCCNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1 10110446 KJBXCNCFOANXIM-UHFFFAOYSA-N 429.369 3.817 0 40 IHAB Cc1oc(-c2cccc(Cl)c2)nc1CN1N=N[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 10273598 AUCZVAMQLCTTNC-ROUUACIJSA-N 439.834 3.936 0 40 IHAB COc1ccc(N([C@@H](C)C(=O)NCCSC2CCCCC2)S(C)(=O)=O)cc1Cl 10368630 KVZWCEMYXBTYDV-AWEZNQCLSA-N 449.038 3.685 0 40 IHAB O=S(=O)(NCc1ccccc1Cn1cccn1)c1ccc(Br)cc1Cl 10959141 QTDWFXLTYOYGLF-UHFFFAOYSA-N 440.750 3.826 0 40 IHAB COC[C@H](C)n1c(SCCCc2nc(-c3cccnc3)no2)nc2ccccc2c1=O 11005870 OBHHWCDFBOOFMW-HNNXBMFYSA-N 437.525 3.774 0 40 IHAB CCc1ccc(S(=O)(=O)Nc2cc(-c3cn4nc(OC)ccc4n3)ccc2OC)s1 11693561 SKKKSJMIWAWZQI-UHFFFAOYSA-N 444.538 3.838 0 40 IHAB CCn1c(CN2CCCCCC2=O)nnc1S[C@H](C)C(=O)N1c2ccccc2C[C@H]1C 12125145 TZVDRCWMPCSWJI-IAGOWNOFSA-N 441.601 3.659 0 40 IHAB O=C(Nc1cccc2cccnc12)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 12639001 SZROPTZGNCVYLR-UHFFFAOYSA-N 429.929 3.928 0 40 IHAB Cc1sc2nc(-c3cccs3)nc(N3CCN(CC(=O)N4CCCC4)CC3)c2c1C 12679473 GODUXSGVOKDRHQ-UHFFFAOYSA-N 441.626 3.781 0 40 IHAB COC(=O)c1sc(NC(=O)CCN[C@H](C)c2cccc(Cl)c2)c(C(=O)OC)c1C 12864250 HSJLCNFKYZTKAS-GFCCVEGCSA-N 438.933 3.963 0 40 IHAB CS(=O)(=O)N1CCC(C(=O)Nc2nc3ccc(Oc4ccccc4)cc3s2)CC1 12972844 BPKHMTWAGUUQKJ-UHFFFAOYSA-N 431.539 3.699 0 40 IHAB O=C(C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)N1CCSc2ccccc21 12973984 ZTKCYPAQRYWIGI-UHFFFAOYSA-N 438.521 3.504 0 40 IHAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1csc(COc2ccc(Cl)cc2)n1 13012767 XMUGXOPNYKFKBT-UHFFFAOYSA-N 440.912 3.884 0 40 IHAB Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)NC(=O)NCc2ccccc2)cc1C 13149552 WNJWPVJCGQIWSZ-UHFFFAOYSA-N 444.487 3.717 0 40 IHAB CN(C)c1ccc(C[C@H]2[C@H](O)c3ccccc3S(=O)(=O)N2CCc2ccccc2)cc1 13691843 SCLJADJNGOUNQD-UKILVPOCSA-N 436.577 3.644 0 40 IHAB O=C(CSc1nc(CN2CCOCC2)nc2ccccc12)Nc1ccccc1Cl 14074854 GHMGDNLLGSDVAV-UHFFFAOYSA-N 428.945 3.846 0 40 IHAB COc1ccc(N(Cc2cccs2)C(=O)Cn2cc(Br)ccc2=O)cc1 14092691 GIXRNQKGEBKEJA-UHFFFAOYSA-N 433.327 3.914 0 40 IHAB COc1ccc(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1S(=O)(=O)N1CCCC1 15314397 SRGXCXSYONYLPQ-RNXZQOMOSA-N 446.613 3.814 0 40 IHAB O=C(Cc1ccc(Cl)cc1Cl)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O 15317694 ZQEDPLCMQWKORP-PXNMLYILSA-N 436.320 3.784 0 40 IHAB O=C(NC1CCCCC1)[C@@H](c1ccccc1)N(Cc1cccnc1)C(=O)c1csnn1 15935671 ZUBWBBOMLSKIML-OAQYLSRUSA-N 435.553 3.766 0 40 IHAB CCn1c(SCC(=O)Nc2ccc(Cl)c(C(=O)OC)c2)nnc1-c1ccncc1 16162755 KKZXRHGKWSOWME-UHFFFAOYSA-N 431.905 3.531 0 40 IHAB COc1ccc(-c2noc(-c3c(C)cc(C)n(CC(=O)Nc4ccccc4)c3=O)n2)cc1 16840009 QTGMUPCIGSVPSN-UHFFFAOYSA-N 430.464 3.829 0 40 IHAB COc1ccc(CNC(=S)Nc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)cc1 18946975 HJSFPXCQELJMTI-UHFFFAOYSA-N 438.519 3.952 0 40 IHAB CC(=O)N[C@H](C)c1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(C)ccc2O3)cc1 19219236 MERJWJWNRNHRHK-QFWMQHCXSA-N 438.568 3.576 0 40 IHAB NC(=O)[C@]1(Cc2ccc(-c3ccccc3)cc2)CN(C(=O)CCc2ccccc2)CCO1 19370833 HDHPMVVLLGMQAC-MHZLTWQESA-N 428.532 3.612 0 40 IHAB Cc1nc([C@H]2CCCN2C(=O)COc2ccccc2)ncc1C(=O)NCc1ccc(F)cc1 19755014 RIXAFZKSRFNLDX-JOCHJYFZSA-N 448.498 3.597 0 40 IHAB CNc1cc(CN(C)C(=O)Cc2c(C)[nH]c3ccc(C)cc23)nc([C@H]2CCCN2C(C)=O)n1 19759900 WPLYFUNUUYDRDG-JOCHJYFZSA-N 448.571 3.501 0 40 IHAB CC(C)(C)SCCNC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 19860892 VVKBSERZMWUZKS-MRXNPFEDSA-N 433.039 3.530 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)[C@H](C)Oc1cccc(C)c1C 20460867 UENRZDRFJAWAKY-KRWDZBQOSA-N 432.542 3.503 0 40 IHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 20481749 PWHDZMRNYRCWEH-LJQANCHMSA-N 429.473 3.818 0 40 IHAB O=C(NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1)C1=C(c2ccccc2)SCCO1 20744887 XVGQPLMZWIOISB-FQEVSTJZSA-N 444.984 3.962 0 40 IHAB CCc1cccc(C)c1NC(=O)COc1cc(C)nc(N2CCN(c3ccccc3)CC2)n1 21360899 BGHXYEUGUNCYSG-UHFFFAOYSA-N 445.567 4.000 0 40 IHAB COc1ccccc1NC(=O)Nc1ccccc1OCc1cc(=O)n2c(ncn2C(C)C)n1 21800868 JBMKZKDVXKJIPZ-UHFFFAOYSA-N 448.483 3.704 0 40 IHAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccccc2C(F)(F)F)c1 22229876 ZJXDHCRAIYWUDG-QGZVFWFLSA-N 442.459 3.814 0 40 IHAB Cc1ccc2c(c1)[C@H](NC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O)CC(C)(C)O2 22338725 PTAJNSBGDCPMIN-LJQANCHMSA-N 430.570 3.796 0 40 IHAB CCOc1cc(CNCCc2cccs2)cc(Br)c1OCC(=O)N(C)C 22782337 HNTVKFMMSGCSBU-UHFFFAOYSA-N 441.391 3.709 0 40 IHAB COc1cccc(-c2nc(CN3CCN(CC(=O)Nc4ccc(F)cc4)CC3)cs2)c1 22915471 FEEKMWXNYHBYDG-UHFFFAOYSA-N 440.544 3.714 0 40 IHAB O=C(Cn1cnc2c(-c3ccccc3)csc2c1=O)N1CCN(c2ccc(F)cc2)CC1 23126438 XGRDBWSURAVSEW-UHFFFAOYSA-N 448.523 3.613 0 40 IHAB COCCCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2C)n2c1nc1ccccc12 23411224 RZCSZEYYWYVAQM-IBGZPJMESA-N 426.904 3.951 0 40 IHAB Cc1c(C(=O)COC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)sc2ccccc12 24424723 PVMFRKPHVZLTQL-UHFFFAOYSA-N 429.519 3.690 0 40 IHAB COC(=O)C[C@@H](NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1)c1ccc(C)cc1 24489348 VUPZAFVVWVLMEK-HXUWFJFHSA-N 441.505 3.596 0 40 IHAB O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)COc2ccc(Br)cc2F)C1 24868749 OFXITXHGIYFVEF-AWEZNQCLSA-N 435.293 3.844 0 40 IHAB CCOC(=O)c1ccc(N2C(=O)/C(=C\NCc3ccccn3)c3ccccc3C2=O)cc1 25265247 QTEFXAWOMHUTFU-JWGURIENSA-N 427.460 3.576 0 40 IHAB CCOC(=O)c1c(C)oc2ncn(C[C@@H](O)Cn3c4ccccc4c4ccccc43)c(=O)c12 26698846 IUGFZCMQXRSDIM-MRXNPFEDSA-N 445.475 3.644 0 40 IHAB COc1ccc2c(C)c(CCC(=O)N(C)[C@@H](C)c3ccc(-n4cncn4)cc3)c(=O)oc2c1 27131876 WNYKIINVHBVBOS-KRWDZBQOSA-N 446.507 3.843 0 40 IHAB COc1ccc(C(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1 27743200 KRKOTOOUKZNYEO-MRXNPFEDSA-N 428.337 3.832 0 40 IHAB COC(=O)c1ccc(Nc2nnc(SCc3ccc(C)cc3)n(-n3cccc3)c2=O)cc1 28534943 VURICOFOZSOWNX-UHFFFAOYSA-N 447.520 3.882 0 40 IHAB COc1ccc([C@H]2CCCCCN2C(=O)c2ccc(CCNS(C)(=O)=O)s2)cc1 32836966 XMMUXGPLFWIQOD-LJQANCHMSA-N 436.599 3.606 0 40 IHAB C[C@@H]1CCN(C(=O)CN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)c2ccccc2S1 32859536 CDPIBTPOIFRGLP-MZNJEOGPSA-N 437.565 3.847 0 40 IHAB O=C([C@@H]1CC(=O)N(c2ccccc2F)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 32891178 KWQGSTRQSBSYJP-OAHLLOKOSA-N 435.421 3.546 0 40 IHAB COc1ccc(-c2nn3c(=O)cc(CNC(=O)Nc4cccc(C)c4C)nc3s2)cc1 32996074 KBNLCUSUVUIHGJ-UHFFFAOYSA-N 435.509 3.765 0 40 IHAB Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2[C@H]2CCCN21 34688895 UOUDTJKJGXFWJA-MVOHMCPASA-N 449.938 3.696 0 40 IHAB CN1CCN(S(=O)(=O)c2ccc(Oc3ccc(Oc4ccccc4)cc3)nc2)CC1 34858991 NELKXGWXXTYYTE-UHFFFAOYSA-N 425.510 3.602 0 40 IHAB COc1ccccc1-n1c(SCC(=O)Nc2nc(C)cs2)nnc1-c1ccncc1 35290415 WHVPXPZKCJDVRJ-UHFFFAOYSA-N 438.538 3.834 0 40 IHAB CS(=O)(=O)c1ccc(Cc2nnc(NC(=O)c3cc(Cl)sc3Cl)o2)cc1 35588420 KIFRDWHYLYMZKY-UHFFFAOYSA-N 432.310 3.685 0 40 IHAB CCOc1ccc(-c2noc(CN3Cc4ccccc4C[C@H]3C(=O)N3CCCC3)n2)cc1 48289787 AOMDAFNAFWEUPB-QFIPXVFZSA-N 432.524 3.685 0 40 IHAB COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)[C@H](C)N1CCN(c2ccc(F)cc2)CC1 57054112 ORYGXCSBPGCFBA-INIZCTEOSA-N 438.503 3.551 0 40 IHAB COc1cccc(Cn2c(=O)c3sccc3n(CC(=O)Nc3cccc(C)c3C)c2=O)c1 57426866 UDFOZFGQVATIRH-UHFFFAOYSA-N 449.532 3.537 0 40 IHAB CCCN(CCC)C(=O)Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2ccccc21 57473071 IYLCKHWLHNOBHE-UHFFFAOYSA-N 427.932 3.514 0 40 IHAB CCN(C(=O)Cn1c(=O)n(-c2ccccc2F)c(=O)c2sccc21)c1cccc(C)c1 57490342 UXMMTNWULYZZSZ-UHFFFAOYSA-N 437.496 3.715 0 40 IHAB O=C(CC1CCN(Cc2cc(=O)n3c(-c4ccccc4)csc3n2)CC1)N1CCCC1 57985006 SYQKMPONTCVKMQ-UHFFFAOYSA-N 436.581 3.648 0 40 IHAB O=S(=O)(N[C@@H]1CCCC[C@@H]1N1CCN(c2cccc(Cl)c2)CC1)c1ccccc1 58085763 MBKJPVCOWJBZMX-YADHBBJMSA-N 434.005 3.752 0 40 IHAB CC(C)(NC(=O)c1cn(-c2cccc(Cl)c2)nn1)c1cn(-c2cccc(Cl)c2)nn1 66089157 BNYGCYQTEBLMLZ-UHFFFAOYSA-N 442.310 3.820 0 40 IHAB Cc1nc(C(C)C)sc1C(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 71847860 JJBUZVQDRNWWFZ-UHFFFAOYSA-N 433.599 3.952 0 40 IHAB Cc1ccc2cc(CNc3ccc(N4CCN(c5ncccn5)CC4)cc3)c(=O)[nH]c2c1 72396131 MTNHJYOMQAJQNW-UHFFFAOYSA-N 426.524 3.565 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccc(-c3n[nH]c(CNC(=O)OC(C)(C)C)n3)cc2)cc1 84160405 VBRKOFGSHITLBK-UHFFFAOYSA-N 443.529 3.606 0 40 IHAB Cn1cc([C@@H](O)C[C@H]2CCCN2C(=O)c2nc(-c3ccccc3)n3c2CCCCC3)cn1 95452753 DDJUJXYCHHYRPQ-IRLDBZIGSA-N 433.556 3.738 0 40 IHAB COc1ccc2c(c1)nc1n2[C@@H](CN(Cc2nccs2)Cc2nccs2)COC1 96112402 YUCDFZHZTUFBMX-AWEZNQCLSA-N 427.555 3.732 0 40 IHAB biogenic,in-vitro O=C1[C@H]2OC[C@@H](O2)[C@@H]2[C@@H]1[C@@H]1c3ccccc3C=CN1[C@H]2C(=O)C12CC3CC(CC(C3)C1)C2 100740579 WOZWCEATMHSNJX-JOFNGKCKSA-N 431.532 3.738 0 40 IHAB biogenic Cc1cccc(N2CCN(C[C@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@@H](O)[C@H]34)C[C@H]2C)c1 105372148 XZCQJZYHYNIVDU-UXRNACRGSA-N 438.612 3.791 0 40 IHAB O=C(N[C@H]1CCN(Cc2ccccc2)C1)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 105874531 VDSNERPRHTXNHV-VOJVFWIESA-N 435.612 3.585 0 40 IHAB CC[C@@H](C(=O)NCCCc1ccc(OC(C)C)cc1)N(c1ccccc1)S(C)(=O)=O 219083930 BXRYRNCMQJAXKW-QFIPXVFZSA-N 432.586 3.767 0 40 IHAB CC[C@@H](C(=O)N[C@@H](C)COc1ccc(C)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 219124086 VHTNZGAGLHDRAJ-UGKGYDQZSA-N 432.586 3.740 0 40 IHAB C[C@H](C(=O)NCCSc1ccc(Cl)cc1)N(c1ccccc1F)S(C)(=O)=O 220297744 QVNOEPCBDQJXJV-CYBMUJFWSA-N 430.954 3.542 0 40 IHAB Cc1ccccc1N(CC(=O)Nc1nnc(-c2ccc(Cl)cc2)s1)S(C)(=O)=O 222768845 XDBKVBVZAAIVOO-UHFFFAOYSA-N 436.946 3.572 0 40 IHAB C[C@H](COc1ccccc1)NC(=O)c1ccc(CN(C)S(=O)(=O)c2ccccc2)cc1 224417799 AFPLYAYMLNACLH-LJQANCHMSA-N 438.549 3.705 0 40 IHAB CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C)c2)cc1OC 225200980 ASCQVPSCSRXJBU-YADHBBJMSA-N 435.553 3.954 0 40 IHAB CCN1CCN(C(=O)CCc2ccccc2)[C@H](Cc2ccccc2-c2cccnc2)C1=O 257260680 LDXAIXQLKKGQBA-RUZDIDTESA-N 427.548 3.983 0 40 IHAB CC(C)(C)c1cc2nccc([C@H]3CC[C@H](CNC(=O)CCc4cc(O)no4)CC3)n2n1 257277540 NYIATCOCEXDTJI-WKILWMFISA-N 425.533 3.743 0 40 IHAB O=C(c1ccccc1CN1CCCCC1)N1CCOC[C@H](Cc2nccn3cccc23)C1 257295586 QYZYYECFQHRLFB-OAQYLSRUSA-N 432.568 3.652 0 40 IHAB CCN(c1ccc(C(=O)N[C@H]2CC(C)(C)Oc3cc(OC)ccc32)cc1)S(=O)(=O)CC 260504317 GPVLKQFSGMGIBQ-FQEVSTJZSA-N 446.569 3.903 0 40 IHAB O=C(COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1Cl)NCc1ccccc1 408561383 IPEDQWIIAIHIKJ-UHFFFAOYSA-N 448.903 3.975 0 40 IHAB Cc1cccc(CNC(=O)c2ccccc2NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 408614975 KJKCLIBBXFXWBS-JOCHJYFZSA-N 441.531 3.912 0 40 IHAB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1 408653341 PNUSDDJUNVKPLS-UXHICEINSA-N 436.895 3.921 0 40 IHAB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O)c1cccs1 408656521 SVDVEJBYQCOCFS-IYBDPMFKSA-N 430.913 3.817 0 40 IHAB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)c1ccccc1 408657117 UBTHTOKAQXZJQD-LRGYGIHKSA-N 436.895 3.611 0 40 IHAB COc1ccc(OC)c(NC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C[C@H](C=C5C)[C@@H]4C3=O)c2)c1 408667537 BIIFOIORBFXGDT-XSLZUNGDSA-N 432.476 3.658 0 40 IHAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCC(C)C)c(C)c2)cc1 408675308 VIMHSGYHVXGHIU-UHFFFAOYSA-N 434.558 3.736 0 40 IHAB Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408705179 ZJPJYSHANRBDST-INIZCTEOSA-N 432.542 3.683 0 40 IHAB COc1cc(N2C(=O)c3ccccc3C2=O)c(Cl)cc1C(=O)OCC(=O)C(C)(C)C 409180181 WJOAAQGGFFZNRL-UHFFFAOYSA-N 429.856 3.921 0 40 IHAB CCn1c(CNC(=O)c2ccccc2)nnc1SCC(=O)Nc1ccccc1Cl 409348460 NOWQKZZUDWVASR-UHFFFAOYSA-N 429.933 3.612 0 40 IHAB COc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)N2CCC[C@@H](CC(=O)O)C2)cc1 532867481 PAVFUNOVVDDKPN-SFHVURJKSA-N 433.508 3.804 0 40 IHAB CC(C)n1nccc1[C@@H]1CN(C(=O)c2cc[nH]c2)C[C@@]12CCCN(Cc1ccccc1)C2=O 585106417 DQUWRSVUNXFCKA-NVQXNPDNSA-N 445.567 3.841 0 40 IHAB CCCN1CCN(C(=O)C2CCNCC2)C[C@@H](Cc2ccccc2-c2ccccc2)C1=O 585172786 VSPPQQLPBJOOBD-XMMPIXPASA-N 433.596 3.593 0 40 IHAB Cc1cc(N[C@@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)n2nc(C)nc2n1 1559186110 RMHOWZKDSDATNC-MRXNPFEDSA-N 443.349 3.728 0 40 IHAB O=C(CN1C(=O)S/C(=C\c2ccc(Br)cc2)C1=O)Nc1ccc(O)cc1 1237688 IJFWNEHVOFYLOW-DHDCSXOGSA-N 433.283 3.830 0 40 IHAB Cc1ccc(NC(=O)C[C@H]2C(=O)N[C@@H]3CCCC[C@@H]3N2C(=O)c2ccc(F)cc2)cc1C 2239254 ATHCHAZVWVEPPU-FSSWDIPSSA-N 437.515 3.723 0 40 IHAB O=S(=O)(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc(Cl)c1Cl 2662746 QIUIVOQEJMALGG-UHFFFAOYSA-N 449.381 3.969 0 40 IHAB O=C(COn1nnc2ccc(C(F)(F)F)cc21)NC(c1ccccc1)c1ccccc1 3326721 NDOAPHFSPURHPN-UHFFFAOYSA-N 426.398 3.785 0 40 IHAB Cc1ccc(NC(=O)COC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1F 3341449 QDJDPDSEIQGCHL-JOCHJYFZSA-N 434.467 3.657 0 40 IHAB Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)O 4174183 LIZVVNFAFNWMLU-TWMKSMIVSA-N 438.311 3.672 0 40 IHAB COc1ccccc1/C=C/C(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 6025241 XDDJUQXOKHAUTA-MDWZMJQESA-N 438.509 3.555 0 40 IHAB CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccc5oc(=O)sc5c4)ccc1c23 8835906 WJQJKAKZBHOMDZ-UHFFFAOYSA-N 426.475 3.789 0 40 IHAB COc1ccc(CNC(=O)[C@@H]2CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)cc1OC 9050102 IYXYMQUZWPMRIT-HXUWFJFHSA-N 449.551 3.673 0 40 IHAB COc1cccc(-c2nnc3n(CCc4ccccc4)c(=O)c4ccccc4n23)c1OC 9252121 QNKDVLSTJSSXKE-UHFFFAOYSA-N 426.476 3.971 0 40 IHAB CC(C)c1cc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2N)on1 9257902 UKDXJLIPIQIXMA-UHFFFAOYSA-N 427.317 3.808 0 40 IHAB CCn1c(CC(=O)Nc2ccc(C)c(C)c2)nnc1S[C@H](C)C(=O)Nc1nccs1 9263712 KPCMWIXTVIRMKK-CQSZACIVSA-N 444.586 3.672 0 40 IHAB O=C(NCCc1csc2nc(-c3ccc(F)cc3)nn12)c1ccc(Br)o1 9568885 FTXHZBLQPPZUPK-UHFFFAOYSA-N 435.278 3.925 0 40 IHAB Cc1ccc2nc(NC(=O)CSc3ccc4nnc(-c5ccccn5)n4n3)sc2c1 9599812 PBFXRVHKEVLCET-UHFFFAOYSA-N 433.522 3.835 0 40 IHAB COc1ccccc1CCNC(=O)Cc1csc(NC(=O)c2ccc(Cl)cc2)n1 9627850 DZHPEDXBFTYUFC-UHFFFAOYSA-N 429.929 3.959 0 40 IHAB CC(=O)N1C[C@H](C(=O)N(C2=N[C@H](C)CS2)c2ccc(Cl)cc2)Oc2ccccc21 9764464 OLGFBZIABGJQKA-BFUOFWGJSA-N 429.929 3.978 0 40 IHAB CN(CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)S(=O)(=O)c1ccc(Cl)s1 9780546 WYNIZLMQHUNGEA-UHFFFAOYSA-N 442.946 3.702 0 40 IHAB CC(C)S(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)c1 10253407 HWNOQDGGXVBHRY-UHFFFAOYSA-N 430.507 3.973 0 40 IHAB COc1ccc(C(=O)OCC(=O)c2cc(C)n(NC(=O)c3ccccc3)c2C)cc1OC 11529871 FZDMXTYLNLOMBE-UHFFFAOYSA-N 436.464 3.546 0 40 IHAB Cc1cc(C)cc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)c1 11652344 LIQMNTMPOCEMEL-SFHVURJKSA-N 437.359 3.858 0 40 IHAB COc1ccccc1NS(=O)(=O)c1cc(NC(=O)[C@H]2Cc3ccccc3O2)ccc1C 12536193 SJFTXKZZSGZBCT-OAQYLSRUSA-N 438.505 3.747 0 40 IHAB Cc1cc(NC(=O)[C@@H](C)Sc2nnc(CN3CCCCC3)n2-c2ccc(F)cc2)no1 12636512 KUOCOBRLMLVLFH-OAHLLOKOSA-N 444.536 3.808 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)ccc1C 12695758 RHVNKHSSYZPGFR-AWEZNQCLSA-N 447.582 3.711 0 40 IHAB CCOc1ccc(NC(=O)[C@@H](C)Oc2cccc(C)c2)cc1S(=O)(=O)N1CCCC1 12809392 UHOYHHXOOBMBIN-QGZVFWFLSA-N 432.542 3.584 0 40 IHAB O=S(=O)(c1ccc(F)cc1)N1CCN(Cc2ncc(-c3ccc(Cl)cc3)o2)CC1 12974095 XWUGMDNIVPNTBL-UHFFFAOYSA-N 435.908 3.641 0 40 IHAB C[C@H]1C[C@H](C)CN(C(=O)Cn2c(SCC(=O)NCc3ccco3)nc3ccccc32)C1 13082977 KCUBJXFTGKLWOT-IRXDYDNUSA-N 440.569 3.542 0 40 IHAB O=C(Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O)Nc1ccc2c(c1)OCCO2 13120928 DBNBEKNEBGKFSE-UHFFFAOYSA-N 437.452 3.674 0 40 IHAB CCOC(=O)c1sc(NC(=O)[C@@H](C)Sc2nnc3c(n2)[nH]c2ccccc23)nc1C 13494681 BSCAGMZZPXMMQE-SNVBAGLBSA-N 442.526 3.567 0 40 IHAB COc1cc(OC)c([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C3=C2C(=O)OC3)cc1OC 13567577 UKASSBYFHHQGRP-HNNXBMFYSA-N 429.856 3.697 0 40 IHAB CS(=O)(=O)N(CC(=O)NCCCc1ccccc1)c1ccc(Oc2ccccc2)cc1 13648335 GIBMRTBKEGSPJJ-UHFFFAOYSA-N 438.549 3.994 0 40 IHAB CCCCc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1 15504668 DICXYPCAWLYXKU-UHFFFAOYSA-N 436.961 3.956 0 40 IHAB CC(C)c1ccc(CN(CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)C2CC2)cc1 16397086 VNPJGDCVQXTOKQ-QHCPKHFHSA-N 432.630 3.733 0 40 IHAB C[C@H]1S[C@]2(C(=O)N(CN3CCCCC3)c3ccccc32)N(c2ccc(F)cc2)C1=O 16608102 NUWAGMDIMPIDLW-WAIKUNEKSA-N 425.529 3.937 0 40 IHAB CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)ccc1OC 16681852 BXVSLYIQLJCQDJ-UHFFFAOYSA-N 436.839 3.918 0 40 IHAB COc1cc(C(=O)N2CCCC[C@@H]2c2nn(C)cc2-c2ccncc2)cc(OC)c1OC 19290070 AIRPRGRCTCNMOY-LJQANCHMSA-N 436.512 3.875 0 40 IHAB CC(C)NC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CCN(C(=O)Cc2cccnc2)C1 19449268 NUINKLAGMNOBPO-MHZLTWQESA-N 442.563 3.672 0 40 IHAB COc1cc(CN[C@@H](Cc2cc(=O)[nH]c(C(C)C)n2)c2ccccc2)cc2c1OCCO2 19453594 ITPNVEOAYXLHRN-FQEVSTJZSA-N 435.524 3.747 0 40 IHAB CCNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CN(C(=O)C2CCCCC2)CCO1 19529237 CXEVOGCECGGYPL-SANMLTNESA-N 435.568 3.605 0 40 IHAB COc1cccc([C@H]2CN(C(=O)c3ccccc3)[C@@H]3CCN(C(=O)c4cccnc4)C[C@H]23)c1 19566290 UNCYXHABPMJUJI-UBFVSLLYSA-N 441.531 3.861 0 40 IHAB Cc1cc(C)cc(-c2ccc(C[C@@H]3CN(C(=O)c4cnccn4)CCN(C)C3=O)cc2)c1 19569845 QLFLDBGFJWMFAU-HSZRJFAPSA-N 428.536 3.534 0 40 IHAB CCOC(=O)c1c(NC(=O)c2cnccn2)sc(C(=O)Nc2ccc(OC)cc2)c1C 19631637 HIDNWLLYEYUSEL-UHFFFAOYSA-N 440.481 3.536 0 40 IHAB COc1ccccc1CN1C(=O)CCc2c(C)nc([C@@H]3CCCN3C(=O)C3CCC3)nc21 19695764 LEJCDRFPZRQFKD-FQEVSTJZSA-N 434.540 3.737 0 40 IHAB COc1ccccc1OCC(=O)N1CC[C@@H](c2cc(C(=O)NC(C)C)c3ccccc3n2)C1 19761267 XAGKWBRRWOMWJY-GOSISDBHSA-N 447.535 3.777 0 40 IHAB CCCSc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1cc(OC)c(OC)c(OC)c1)C3 19816702 QXVBSPPCZFWQKL-LBPRGKRZSA-N 428.514 3.565 0 40 IHAB COc1cccc(N(CC(=O)NCc2ccccc2C)S(=O)(=O)c2ccc(C)cc2)c1 20235606 WLXIYWBTNOLMGJ-UHFFFAOYSA-N 438.549 3.824 0 40 IHAB CC(C)(C)c1cc(NC(=O)Cc2cccc(C(F)(F)F)c2)n([C@@H]2CCS(=O)(=O)C2)n1 22406843 XBCSGIDPXBYGKI-OAHLLOKOSA-N 443.491 3.740 0 40 IHAB Cc1ccc(CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)cc1 22527228 KJLNZUUEVKMDKU-XMMPIXPASA-N 442.625 3.718 0 40 IHAB COc1ccc([C@@H](c2sc3ncnn3c2O)N2CCN(c3ccc(F)cc3)CC2)cc1 22609480 AZMDVZLRYJLCCF-IBGZPJMESA-N 439.516 3.556 0 40 IHAB CCNC(=O)[C@H](C)OC(=O)c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1 23553125 QNSOCRMJQYWDGC-NSHDSACASA-N 438.431 3.696 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)OCC(=O)NC(=O)Nc1ccccc1F 24718699 MBANJYGIHYKITG-OUKQBFOZSA-N 436.443 3.533 0 40 IHAB Cn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)N[C@H](Cc1ccccc1)c1ccccc1 25284804 JRPZUMJEXNAKPA-JOCHJYFZSA-N 437.565 3.523 0 40 IHAB COCCn1c(S[C@H]2CCCCCC2=O)nc2ccc(Br)cc2c1=O 28188767 TWBWIGVCSJLUKS-INIZCTEOSA-N 425.348 3.799 0 40 IHAB COc1ccc(C(=O)Cn2nc(N)n(Nc3ccc(Br)cc3)c2=S)cc1 28527134 RONKWKFHNGPNFP-UHFFFAOYSA-N 434.319 3.525 0 40 IHAB Cc1noc(CSc2ccccc2C(=O)OCC(=O)N(C)Cc2ccccc2F)n1 29015266 LWCKIJYZHBYWEF-UHFFFAOYSA-N 429.473 3.625 0 40 IHAB O=C(CN1CCN(C(=O)c2cc(-c3ccccc3F)on2)CC1)Nc1ccccc1Cl 30017364 CCFIFZVZNBIXPH-UHFFFAOYSA-N 442.878 3.531 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2nc(-c3cccc(OC)c3)no2)cc1 32759405 GYDROZXPEDRGPF-INIZCTEOSA-N 444.557 3.627 0 40 IHAB CN(Cc1ccccc1N1CCCCC1)C(=O)NCCNC(=O)c1ccc(Cl)cc1 32803044 IQOSOVNDYSJFJV-UHFFFAOYSA-N 428.964 3.902 0 40 IHAB COC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@@H]1c1ccc(OC)c(C)c1 32869167 WGOMAOYVGKEKKB-OAQYLSRUSA-N 440.521 3.658 0 40 IHAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 32904461 CZPHOVXLOOJFJA-XMMPIXPASA-N 449.576 3.560 0 40 IHAB O=C(c1nn(-c2ccc(F)cc2)c2c1CCCCC2)N1CCCN(CC(F)(F)F)CC1 32912122 DEERBWXQBPUOGU-UHFFFAOYSA-N 438.469 3.991 0 40 IHAB C[C@H](C(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 35287166 UPNLMSNJAIQOAC-ZMXOQZSUSA-N 440.543 3.740 0 40 IHAB Cc1cc(NC(=O)Cn2c(-c3ccccc3)cc3ccccc32)n([C@H]2CCS(=O)(=O)C2)n1 40052022 RDZZYSWBAHIHSO-FQEVSTJZSA-N 448.548 3.812 0 40 IHAB O=C(Nc1cccc(OC(F)(F)F)c1)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 40057768 IQJJHOLSSSVYCJ-HZPDHXFCSA-N 428.407 3.506 0 40 IHAB CC(C)[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1)c1ccc2c(c1)OCCO2 40058795 VKIRPIGATCIZFM-DYESRHJHSA-N 428.554 3.885 0 40 IHAB Cc1cc(C(=O)NC2CCN([C@@H](C)C(=O)Nc3cc(Cl)ccc3Cl)CC2)no1 48332975 GPAUIZJCJHERGZ-LBPRGKRZSA-N 425.316 3.511 0 40 IHAB COc1cc(NC(=O)Cn2c3ccc(Cl)cc3c(=O)n2C(C)(C)C)cc(OC)c1OC 49007340 OQMDEYMBQDCNNJ-UHFFFAOYSA-N 447.919 3.876 0 40 IHAB Cc1ccc(Nc2nc(N)nc(CN3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)cc1 54147129 JQWHYSVKYZNDNS-UHFFFAOYSA-N 443.477 3.847 0 40 IHAB O=C(c1ccc(F)cc1)c1ccccc1C(=O)N1CCN(Cc2cn3ccccc3n2)CC1 57987141 JQPHPGWFCUAKGR-UHFFFAOYSA-N 442.494 3.662 0 40 IHAB CCOC(=O)c1sc(NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)nc1-c1ccccc1 71850892 VSZNVDKQVUCTGV-INIZCTEOSA-N 427.526 3.574 0 40 IHAB CCn1c(COc2ccccc2C)nnc1SCC(=O)Nc1cccc(C(=O)O)c1 72191483 RIFJQAPQJJPRKV-UHFFFAOYSA-N 426.498 3.614 0 40 IHAB Cc1nc(=O)c2cc(Cl)ccc2n1C1=CCN(C(=O)CCn2ccnc2C(C)C)CC1 72348291 IFMMLYCANBCJLK-UHFFFAOYSA-N 439.947 3.842 0 40 IHAB COCCNC(=O)c1sc2ccccc2c1C[C@H]1CCCCN1Cc1ccnn1C 72370609 QKGFLLQZWVQISB-QGZVFWFLSA-N 426.586 3.608 0 40 IHAB Cc1nn(C)cc1C(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(CCc1ccccc1)CCC2 72372902 FMUAWVVWMMNIMB-HSZRJFAPSA-N 444.583 3.800 0 40 IHAB Cc1ccc(C(=O)N2CCC(NC(=O)COc3ccc(Oc4ccccn4)cc3)CC2)cc1 89629614 HOBNBXISZVHBDT-UHFFFAOYSA-N 445.519 3.982 0 40 IHAB CCCN(CCNC(=O)CCCc1nc(-c2ccc(OC)cc2)no1)C(=O)OC(C)(C)C 89958904 QUAWETCFOLUDKY-UHFFFAOYSA-N 446.548 3.831 0 40 IHAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Cl)cc1)N1CCCN1[C@@H]2c1ccc(Br)cc1 100165905 GFGPRNILPLHTFB-KSZLIROESA-N 446.732 3.638 0 40 IHAB COc1ccc(N2C(=O)C[C@H](N3CC=C(c4ccc(Br)cc4)CC3)C2=O)cc1 100218726 HYFVDLJAYRVXMS-FQEVSTJZSA-N 441.325 3.879 0 40 IHAB COc1ccc(CCN(C(=O)c2cccc(F)c2)[C@H]2CC(=O)N(c3ccccc3)C2=O)cc1 100570692 NSDKZJIDRCJDJY-QHCPKHFHSA-N 446.478 3.851 0 40 IHAB CC(=O)c1ccc(OC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@H]6C[C@H]56)[C@@H]4C3=O)c2)cc1 101231830 SYHZFNWVMRIJCN-GNWGRXFHSA-N 427.456 3.666 0 40 IHAB CCn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1cccc(C(=O)O)c1 197764130 IBOCDLSLOVCDON-UHFFFAOYSA-N 446.916 3.959 0 40 IHAB CCC(C)(C)[C@H]1CCc2nc3sc(C(=O)N4CCC(C(N)=O)CC4)c(N)c3cc2C1 215689295 PXAVDDHYJWDLFD-HNNXBMFYSA-N 428.602 3.757 0 40 IHAB CCOc1ccccc1CNC(=O)[C@@H](CC)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O 220740797 NRFSJQDLHUSMHH-LJQANCHMSA-N 438.977 3.908 0 40 IHAB COc1ccc(-c2noc(CN(C)C(=O)COc3ccccc3C(C)C)n2)c(OC)c1 222814807 WPDKHXUPZLKOPV-UHFFFAOYSA-N 425.485 3.915 0 40 IHAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccn(C3CCCCC3)c2)N1CCN1CCOCC1 223162962 URRRCUHBDFATKO-DHIUTWEWSA-N 439.629 3.693 0 40 IHAB CS(=O)(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccs2)cc1 225384964 DAVXCMWLMBGQFV-ZWKOTPCHSA-N 430.580 3.692 0 40 IHAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)n1C 225609097 LKKJMNYAQUGYEW-FGZHOGPDSA-N 437.544 3.869 0 40 IHAB Cc1nc2ccccn2c1-c1nnc2sc(CCN3CC[C@@H](c4ccccc4)C3)nn12 227144107 DFYNBYDIPVXRRH-GOSISDBHSA-N 429.553 3.841 0 40 IHAB COc1cc2c(cc1CN1CCO[C@H](c3cccc(-c4cccc(C(N)=O)c4)n3)C1)CCC2 257212167 CCEYPHAKOHRPSC-SANMLTNESA-N 443.547 3.918 0 40 IHAB O=C(c1ccnc(N2CCOCC2)c1)N1CCC[C@@H](Cc2ccnc3ccccc23)CC1 257315290 VARKSMSFZYGMQR-HXUWFJFHSA-N 430.552 3.951 0 40 IHAB Cc1cc(C(=O)NCCCN2CCC[C@H](C)C2)ccc1N(C)S(=O)(=O)c1ccccc1 260561448 DSILTVYMSBDDLI-IBGZPJMESA-N 443.613 3.672 0 40 IHAB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccc(F)cc1 408642252 DUCOXNFYQOYXPY-OALUTQOASA-N 442.874 3.894 0 40 IHAB CCOc1ccc(NC(=O)COC(=O)CCS(=O)(=O)c2ccc3ccccc3c2)cc1 408647452 SYASDWYXJIXLGH-UHFFFAOYSA-N 441.505 3.584 0 40 IHAB CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(Br)cc2F)ccc1OCC 408697298 IPTVRIVWHYWMCW-UHFFFAOYSA-N 445.310 3.537 0 40 IHAB C[C@@H](C(=O)NCCSCc1ccccc1Cl)N(c1ccccc1)S(C)(=O)=O 408921607 JNKCLULNYSIYDM-HNNXBMFYSA-N 426.991 3.544 0 40 IHAB CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)c(Br)cc1O 409016774 VRBMVWNDJHLDII-VIZOYTHASA-N 435.249 3.785 0 40 IHAB CC(C)n1nccc1[C@H]1CN(C(=O)c2cc[nH]c2)C[C@@]12CCCN(Cc1ccccc1)C2=O 585106416 DQUWRSVUNXFCKA-GJZUVCINSA-N 445.567 3.841 0 40 IHAB Cc1cc(OC[C@]2(O)COCCN(C[C@]3(O)CC[C@@H](c4ccccc4)CC3)C2)ccc1F 585286781 IRNKLBIQZWCNDU-ZSQFBXSQSA-N 443.559 3.665 0 40 IHAB CC(C)(C)[C@H]1CC[C@](O)(CN2CCOC[C@@](O)(COc3ccc(F)c(Cl)c3)C2)CC1 585287608 PLFAPROCNKXCAB-MQNAVGNWSA-N 443.987 3.889 0 40 IHAB O=C(NC[C@H](O)COc1ccccc1)N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 612604528 UYBSXSOWZVUOJT-NZQKXSOJSA-N 448.498 3.656 0 40 IHAB O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)NCC1CCC(C(=O)O)CC1 627309 CSVNPYRZUMFKON-UHFFFAOYSA-N 435.476 3.846 0 40 IHAB biogenic CCOC(=O)Cn1c(-c2ccc(Cl)cc2)nc2c(C(=O)OCC)sc(C)c2c1=O 653343 PYFGRRNMYSEUNM-UHFFFAOYSA-N 434.901 3.827 0 40 IHAB COc1cc(-c2nnc(SCC(=O)c3[nH]c(C)c(C(C)=O)c3C)o2)cc(OC)c1OC 2661241 JPMHBSYUMBKEOW-UHFFFAOYSA-N 445.497 3.885 0 40 IHAB Cc1ccc(-n2c(SCC(=O)NC[C@H]3CCCO3)nc3c([nH]c4ccccc43)c2=O)cc1 2720672 UBWIQKHYJWZFOW-QGZVFWFLSA-N 448.548 3.563 0 40 IHAB CCCOc1cccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccc(C)cc2)c1 2866613 IVOIDBVVNSDLPP-UEXGIBASSA-N 436.430 3.888 0 40 IHAB NC(=O)c1c(NC(=O)CSc2ncnc3sc4c(c23)CCC4)sc2c1CCCC2 3309188 IVFXFSPUMPXDDN-UHFFFAOYSA-N 444.607 3.950 0 40 IHAB O=S(=O)(NCc1ccc2c(c1)OCO2)c1c(Cl)cc(Br)cc1Cl 3432438 QNBVHLLPNTWBBQ-UHFFFAOYSA-N 439.114 3.963 0 40 IHAB CCOc1ccc(CN(C)S(=O)(=O)c2ccc(OC)c(Br)c2)cc1OC 3434136 VEQQEKHYUVTLGG-UHFFFAOYSA-N 444.347 3.686 0 40 IHAB CCN1CCN(c2ccc(-n3c(C)nc4c(cnn4-c4ccccc4Cl)c3=O)cc2)CC1 3959468 GLPGZIANWMCPGK-UHFFFAOYSA-N 448.958 3.675 0 40 IHAB CSCC[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)OCC(=O)c1ccccc1 4704041 LEQVEKMKXOEAKE-BSFBHTCNSA-N 429.582 3.867 0 40 IHAB COc1ccc(-c2noc(CN(C(=O)COc3ccccc3C)C(C)C)n2)cc1OC 4943622 GVFHEHSZXJFUIM-UHFFFAOYSA-N 425.485 3.878 0 40 IHAB CCn1cc(CNC(=O)CCSc2nc(-c3ccco3)cc(C(F)(F)F)n2)cn1 6878568 BFLSAHOOMNTVSR-UHFFFAOYSA-N 425.436 3.770 0 40 IHAB aggregator Cc1ccc(-n2cnnc2SCC(=O)Nc2ccccc2C(=O)NC2CC2)cc1Cl 8901822 WRUTTWYEBWQSFF-UHFFFAOYSA-N 441.944 3.852 0 40 IHAB O=C(COc1ccc(Cl)cc1)NC[C@@H](c1cccnc1)S(=O)(=O)c1cccs1 9005140 CEHHZKLUJYSVRM-KRWDZBQOSA-N 436.942 3.507 0 40 IHAB CCN1CCc2c([nH]c3ccccc23)[C@@H]1c1c(O)nc(O)n([C@@H](C)c2ccccc2)c1=O 9042220 OAWQTLWJWDGFMD-NYHFZMIOSA-N 430.508 3.713 0 40 IHAB biogenic Cc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1S(=O)(=O)N1CCCCC1 9097125 OIMUUHHRZXPRCD-UHFFFAOYSA-N 426.494 3.528 0 40 IHAB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3cccc(C(=O)NC4CC4)c3)cc2)cc1 9203430 HAMLODCHUPZLSU-UHFFFAOYSA-N 449.532 3.940 0 40 IHAB O=C(O)c1ccccc1[C@H]1[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2ON1c1ccccc1 9232404 QWLMNNQHHRXDKQ-QHAWAJNXSA-N 432.407 3.575 0 40 IHAB Cc1ccc(S(=O)(=O)n2nc(OC(=O)c3ccc(Cl)cc3Cl)cc2N)cc1 9391804 AHKWQDSPKFOVQU-UHFFFAOYSA-N 426.281 3.537 0 40 IHAB Cc1cc(C)cc(NC(=O)CSc2nc3nccnc3c(=O)n2CCc2ccccc2)c1 9405207 RRKFPNAOZVLRMS-UHFFFAOYSA-N 445.548 3.777 0 40 IHAB CC(=O)Nc1cccc(NC(=O)CSc2ccc3nnc(-c4ccc(F)cc4)n3n2)c1 9414974 SCMNCCVMPAGXRU-UHFFFAOYSA-N 436.472 3.620 0 40 IHAB COc1ccc(C)cc1-n1c(SCC(=O)NC(C)C)nc2c([nH]c3ccccc32)c1=O 9518310 PHBPPLGXMUSPBL-UHFFFAOYSA-N 436.537 3.801 0 40 IHAB Cc1noc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2)c1C 9600855 UVHLWPLRLNCKKQ-UHFFFAOYSA-N 435.889 3.763 0 40 IHAB Cc1ccc(C)c(N(CC(=O)Nc2cc(Cl)cc(Cl)c2)S(=O)(=O)N(C)C)c1 9694863 IQNUNQJOERHDCC-UHFFFAOYSA-N 430.357 3.862 0 40 IHAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1nc(-c2ccc(F)cc2)cs1 9716111 GCVZTXNJHDSDRK-IBGZPJMESA-N 445.541 3.664 0 40 IHAB CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)NCCCN1CCCCCC1 10111209 YNBGCRWQAPRATD-UHFFFAOYSA-N 443.613 3.649 0 40 IHAB O=C(Nc1ccc(Cl)c2ncsc12)[C@@H]1CCCN1S(=O)(=O)c1cccs1 10337223 ABTUZGHLOHNYFJ-LBPRGKRZSA-N 427.960 3.803 0 40 IHAB O=C(CSc1nnc(N2CCCCC2)n1-c1ccccc1)N1CCc2sccc2C1 10992015 JRQWNDBULFXDAR-UHFFFAOYSA-N 439.610 3.996 0 40 IHAB COc1cc(-c2nnc(COC(=O)Cc3c(F)cccc3Cl)o2)cc(OC)c1OC 11028343 OUCQCGHYZUUQJL-UHFFFAOYSA-N 436.823 3.841 0 40 IHAB Cc1ccc(N2N=C(C(=O)O[C@@H](C)C(=O)N3CCc4ccccc43)CCC2=O)cc1Cl 11954776 UYIJWTLLDUPXHU-HNNXBMFYSA-N 439.899 3.652 0 40 IHAB COc1cc(CCC(=O)N2CCC(c3cc(C(F)(F)F)n4ncnc4n3)CC2)ccc1C 12188547 YNGIJTMHTACXQJ-UHFFFAOYSA-N 447.461 3.799 0 40 IHAB CCOC(=O)C[C@H](c1ccc(F)cc1)C1CCN(C(=O)[C@@H](C)NC(=O)C(C)(C)C)CC1 12732271 UADLYMZFDNKRCW-OXQOHEQNSA-N 434.552 3.652 0 40 IHAB CS(=O)(=O)c1ccccc1NC(=O)CN1CCc2sccc2[C@H]1c1ccccc1 12796090 PYCTYBWYVGGDNW-JOCHJYFZSA-N 426.563 3.738 0 40 IHAB C[C@H](CC(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1)c1ccccc1 12851339 XOWPDZVOYUWAEO-QGZVFWFLSA-N 433.474 3.982 0 40 IHAB CCn1c(SCC(=O)N2CCCc3ccccc32)nnc1[C@@H](C)NC(=O)c1ccccc1 12851414 ZXXZSPHRELVSBR-QGZVFWFLSA-N 449.580 3.861 0 40 IHAB O=S(=O)(NC1CC1)c1ccc(S(=O)(=O)Oc2ccccc2-c2ccccc2)cc1 13001131 RMDURGMZUCTVID-UHFFFAOYSA-N 429.519 3.562 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)[C@H](CC)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714214 DPJGAYNEJVGPES-SFHVURJKSA-N 438.933 3.700 0 40 IHAB COc1ccc(-c2csc(NC(=O)CCn3nc(-c4cccs4)oc3=O)n2)cc1 14234585 PHIGGCZUGCWDKR-UHFFFAOYSA-N 428.495 3.726 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2Br)ccc1OC 15349828 SXBDVJCIPBWFEL-UHFFFAOYSA-N 441.347 3.741 0 40 IHAB CCN(CC(=O)NCc1cccs1)CC(=O)N[C@@H](c1ccc(C)cc1)c1cccs1 15420445 PORXGYDZMUMLQM-QHCPKHFHSA-N 441.622 3.962 0 40 IHAB CCOC(=O)C1CCN([C@H](c2ccc(CC)cc2)c2sc3nc(CC)nn3c2O)CC1 16690085 QXPZPPAJDAFLKK-LJQANCHMSA-N 442.585 3.986 0 40 IHAB COc1ccc(N(CC(=O)N2c3ccccc3C[C@@H]2C)S(=O)(=O)c2cccs2)cc1 16695129 VRFMGBNDMSUNRD-INIZCTEOSA-N 442.562 3.930 0 40 IHAB O=C1CCSc2ccc(C(=O)Nc3ccc4nc(N5CCOCC5)sc4c3)cc2N1 18111745 HAESQVBUHCLERX-UHFFFAOYSA-N 440.550 3.820 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CCn1c(=S)[nH]c2ccccc2c1=O 18132430 BECBGFDBLFNWCM-UHFFFAOYSA-N 447.564 3.910 0 40 IHAB CSCC[C@@H](NC(=O)c1csc2c1CCCC2)c1cc(=O)[nH]c(-c2ccccn2)n1 19573932 TWWJPUYANUVGIB-MRXNPFEDSA-N 440.594 3.996 0 40 IHAB CCc1nnsc1C(=O)N1CCC[C@@H](c2nc(N(C)C)ncc2-c2ccccc2F)C1 19694269 DZXQQXPMJFPYCI-CQSZACIVSA-N 440.548 3.782 0 40 IHAB NC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(C(=O)Cc2cccc(F)c2)CC1 19700263 MTQJEQJRYYPQNU-UHFFFAOYSA-N 431.511 3.767 0 40 IHAB COc1ccc([C@@H](C)NC(=O)Cc2cnc(-c3ccc(Cl)cc3)[nH]c2=O)cc1OC 19937730 VYBDFPMTOHZPQK-CYBMUJFWSA-N 427.888 3.527 0 40 IHAB CCC[C@H](C)NC(=O)COc1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 22232323 BPCULTAIXOYICU-INIZCTEOSA-N 438.977 3.990 0 40 IHAB Cc1ccc([C@@H](C)NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1C 22332077 USBHNIRBCDUVHP-OAHLLOKOSA-N 439.375 3.709 0 40 IHAB O=C(NC1CC1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 23117685 RIMSGNPUCBKNMM-CYBMUJFWSA-N 431.414 3.589 0 40 IHAB O=C(c1ccccc1)c1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 23881900 JEAGZVBFOIGTPH-UHFFFAOYSA-N 428.488 3.604 0 40 IHAB O=C(NCc1ccccc1)C1CCN(C(=O)CCSCc2cn3ccccc3n2)CC1 25761683 KFCGGDBHNRZUOY-UHFFFAOYSA-N 436.581 3.513 0 40 IHAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@H](c1ccc(Cl)c(Cl)c1)SCC(=O)N2 31812070 BZDDBLSWHISAFV-HNNXBMFYSA-N 446.323 3.929 0 40 IHAB O=C(COC(=O)CCc1nc(-c2ccccn2)no1)Nc1ccc(-c2ccccc2)cc1 32912294 DPCICSMRLAUDNG-UHFFFAOYSA-N 428.448 3.913 0 40 IHAB COCCN1CCc2nc(SCc3nc(-c4ccc(C)cc4)oc3C)nc(O)c2C1 33141644 OXWLXXOVGGRUMW-UHFFFAOYSA-N 426.542 3.751 0 40 IHAB Cc1ccc(S(=O)(=O)Oc2cccc(/C=c3\sc4nc5ccccc5n4c3=O)c2)cc1 33411707 RFXXHHHJIJRCEM-STZFKDTASA-N 448.525 3.533 0 40 IHAB Cc1sc(NC(=O)CN(C(=O)NCc2ccccc2)C2CCCCC2)c(C(N)=O)c1C 35292420 JLMSGYRWWBWUGZ-UHFFFAOYSA-N 442.585 3.947 0 40 IHAB CCCC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1cc2ccc(OC)cc2[nH]c1=O 35313764 HBRKXKQKCVYRHE-XMMPIXPASA-N 436.508 3.828 0 40 IHAB COc1ccc(-c2nc(CC(=O)Nc3nnc([C@@H]4CCCO4)s3)cs2)cc1OC 36357563 NYCSXTLCDBNGQV-AWEZNQCLSA-N 432.527 3.712 0 40 IHAB COc1ccc(-c2c(C(=O)O)sc3c2NC(=O)C[C@]32C(=O)Nc3ccc(F)cc32)cc1 36359516 HJUKMQBCMHQPFT-JOCHJYFZSA-N 438.436 3.841 0 40 IHAB COc1c(C(N)=O)cn(C)c1-c1nc2cc(NC(=O)c3ccc(Cl)cc3)ccc2n1C 36369913 KOZRJIRYZUUHJP-UHFFFAOYSA-N 437.887 3.592 0 40 IHAB biogenic CC1(C)CC(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)CC(C)(C)N1 36476276 FMIGTXVFXKTHOQ-UHFFFAOYSA-N 433.549 3.666 0 40 IHAB Cc1nc(-n2cccc2)sc1C(=O)N1CCN(c2ccc(-c3cccs3)nn2)CC1 36700502 BPINNANMJHPBAO-UHFFFAOYSA-N 436.566 3.723 0 40 IHAB COc1ccc(CNC(=O)c2sc(-c3nnn(-c4ccc(OC)cc4)c3C)nc2C)cc1 38654958 YCPUCNKFJLVFGJ-UHFFFAOYSA-N 449.536 3.955 0 40 IHAB COc1ccc(-c2nnc(NC(=O)c3cccc(NC(=O)c4ccccc4O)c3)o2)cc1 39745067 HEUVXOZCLRRMCR-UHFFFAOYSA-N 430.420 3.955 0 40 IHAB O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)Nc1nnc(Cc2ccccc2)s1 44892041 ZCMNQQGPZVWQFE-UHFFFAOYSA-N 437.912 3.645 0 40 IHAB O=C1CCCN1c1ccc(Cn2cc(-c3nc(-c4ccc(F)cc4)no3)ccc2=O)cc1 49007430 JVGFJBLWFOHKHF-UHFFFAOYSA-N 430.439 3.880 0 40 IHAB COC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1c(C)c2cc3c(C)coc3cc2oc1=O 49543706 BQGYNZINSLANGQ-FQEVSTJZSA-N 433.460 3.599 0 40 IHAB biogenic Cc1c(NC(=O)CN[C@H](c2ccccc2)c2cccs2)c(=O)n(-c2ccccc2)n1C 57383180 QZSGWPRENYJMJR-HSZRJFAPSA-N 432.549 3.864 0 40 IHAB CCN(Cc1ccccc1)c1ncc(S(=O)(=O)c2cc(Cl)ccc2OC)c(N)n1 65134388 NYRIOSPHULJNDS-UHFFFAOYSA-N 432.933 3.580 0 40 IHAB CCC(CC)C(=O)N1CCC(NC(=O)Nc2ccc(C(=O)Nc3nccs3)cc2)CC1 69776953 TXOCCGYKRFJIAM-UHFFFAOYSA-N 443.573 3.944 0 40 IHAB CSc1ccc([C@H]2NC(=O)N(CC(=O)Nc3ccc(C)cc3C)C3=C2C(=O)OC3)cc1 71326837 PGFKKKUSTYKUBJ-OAQYLSRUSA-N 437.521 3.541 0 40 IHAB CCS(=O)(=O)N1CCc2c(cccc2NCc2cc(=O)oc3c(C)c(C)ccc23)C1 72089756 DLAYRTQPEJMGKI-UHFFFAOYSA-N 426.538 3.730 0 40 IHAB Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@H]2CCCN(C(=O)CN3CCCC3)C2)n1 72346135 GAFHMKPUELJFRQ-INIZCTEOSA-N 433.478 3.546 0 40 IHAB COc1ccc(CCC(=O)N2CCN(c3ccccc3)C[C@@H](Cc3cnccn3)C2)cc1 72353552 PJIQGITVUOWTMI-JOCHJYFZSA-N 430.552 3.626 0 40 IHAB Cc1ccc(S(=O)(=O)N2CC[C@@H](c3cc(CCOc4ccc(F)cc4)[nH]n3)C2)cc1C 72371718 RTUFQFNIWPFSPN-GOSISDBHSA-N 443.544 3.965 0 40 IHAB CC(=O)Nc1cccc2c1CCN(c1nc3ccccc3nc1N1C[C@@H](C)O[C@H](C)C1)C2 89936784 FEWQGEUZGBVJLL-IAGOWNOFSA-N 431.540 3.765 0 40 IHAB Cc1noc(C)c1[C@@H](C)C(=O)N(CCN1CCOCC1)c1cccc(C(F)(F)F)c1 95983409 FXOWTIOYKRVNTG-CQSZACIVSA-N 425.451 3.779 0 40 IHAB O=C(c1cc(-c2ccc3c(c2)OCO3)n[nH]1)N1CCC(Oc2ccc(Cl)cn2)CC1 96096916 KFGKKBRJTTUKKR-UHFFFAOYSA-N 426.860 3.537 0 40 IHAB O=C(Nc1cccc(Cl)c1)N1CC[C@@H]2CN(CCc3ccccc3)S(=O)(=O)[C@@H]2CC1 96145486 SFDDECCYLBMIFJ-WIYYLYMNSA-N 447.988 3.841 0 40 IHAB COc1ccc(CC(=O)NC[C@H]2CC[C@H](c3ccnc4nc(C(F)(F)F)nn43)CC2)cc1 100159006 DLMPJBOWIWKEQW-IYBDPMFKSA-N 447.461 3.784 0 40 IHAB CNC(=O)c1sc2ncccc2c1[C@H]1CC[C@H](CNC(=O)CCCN2CCCC2)CC1 100688383 DBAMMVDWKNELGN-HDICACEKSA-N 442.629 3.922 0 40 IHAB Cc1cccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)C(=O)c2ccccc2)c1C 102089653 GRSGMORQJVKUDN-FWDUKEBRSA-N 426.516 3.961 0 40 IHAB CC(C)(C)N1C(=O)[C@H]2[C@H](C1=O)[C@H](C(=O)Nc1ccc(Cl)cc1)N1c3ccccc3C=C[C@H]21 102797181 BMQUXFUCWHHGEN-MXEMCNAFSA-N 449.938 3.962 0 40 IHAB CC[C@@H](C(=O)NCCCc1ccccc1OC)N(c1ccc(C)c(C)c1)S(C)(=O)=O 219120232 JNUBJFLGJPZTRB-NRFANRHFSA-N 432.586 3.606 0 40 IHAB CC[C@@H](NC(=O)[C@@H](CC)N(c1cccc(C)c1)S(C)(=O)=O)c1ccc(OC)c(OC)c1 220526390 CHENSKWSQKGLIA-WOJBJXKFSA-N 448.585 3.824 0 40 IHAB CC[C@@H](NC(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O)c1ccc(OC)c(C)c1 223253976 OUMHNVVUZRWKMU-OAQYLSRUSA-N 448.585 3.826 0 40 IHAB CC[C@H](C(=O)NCCOc1ccc2ccccc2c1)N(c1ccc(F)cc1)S(C)(=O)=O 223616931 YEVLZDDBNPHPPX-JOCHJYFZSA-N 444.528 3.719 0 40 IHAB CN(C)C(=O)c1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)cc1 224185993 PHNCRDXMGFHCEB-UHFFFAOYSA-N 443.550 3.527 0 40 IHAB O=C(COc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1)N1CCCC1 225573653 WBNNZWACQMWRCP-UHFFFAOYSA-N 426.488 3.514 0 40 IHAB O=C(COc1nn(-c2ccccc2)cc1Br)NCCCc1cccc(F)c1 227151728 VWIQRCVQYHAPIA-UHFFFAOYSA-N 432.293 3.902 0 40 IHAB COc1ccc(F)cc1-c1ccc(C[C@]2(C(=O)NCCCn3ccnc3)CCCO2)cc1 257216787 CWAXMHJATPYXBL-VWLOTQADSA-N 437.515 3.996 0 40 IHAB Cc1cccc(Cc2cccc([C@H]3CCCN(Cc4ccnc(N5CCOCC5)n4)C3)n2)c1 257262249 LKSIZNLKLNOPFU-QHCPKHFHSA-N 443.595 3.987 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](C)c3ccc(C)c(C)c3)C2)cc1 260453379 MHIMSEPKWCYTHM-UYAOXDASSA-N 430.570 3.590 0 40 IHAB COc1ccc(Cl)cc1N([C@H](C)C(=O)NCc1ccc2ccccc2c1)S(C)(=O)=O 260832506 KEOFODZBTCCJLD-OAHLLOKOSA-N 446.956 3.973 0 40 IHAB C[C@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)c1ccc2c(c1)CCC2 260949419 XCWLZHHMUITVDH-YCRPNKLZSA-N 432.973 3.859 0 40 IHAB Cc1cccc(N2CCN(C(=O)[C@H](C)N3c4cccc5cccc(c45)S3(=O)=O)CC2)c1C 408622096 ASOVUXIISIHCSG-IBGZPJMESA-N 449.576 3.703 0 40 IHAB Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4C[C@H](C)CC[C@H]4C3=O)c2)cc1 408663818 OXNWBVOLQLISGW-HBGVWJBISA-N 434.492 3.716 0 40 IHAB Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4C[C@H](C)CC[C@H]4C3=O)cc2)cc1 408664900 PSRISCZRLDSXFT-HBGVWJBISA-N 434.492 3.716 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)[C@H]1COc2ccccc2O1 408925867 RHNQMKJBYAPELD-HXUWFJFHSA-N 444.896 3.919 0 40 IHAB O=C(CN1C(=O)S/C(=C/c2c[nH]c3ccccc23)C1=O)Nc1ccc2c(c1)OCCO2 409205736 SSYWANFYSXMIHQ-DJKKODMXSA-N 435.461 3.614 0 40 IHAB Cc1ccc(F)cc1NC(=O)COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 409226271 UIHXJQQLLUDUDM-UHFFFAOYSA-N 432.407 3.730 0 40 IHAB CCOc1ccc(NC(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc2Cl)cc1 409247913 DWQJSELHDSCIPO-UHFFFAOYSA-N 440.949 3.691 0 40 IHAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CC=C(c2c[nH]c3ncccc23)CC1 515385155 QBSLFXNDABMGMU-UHFFFAOYSA-N 430.556 3.944 0 40 IHAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N1CCCc2ccc(S(=O)(=O)N(C)C)cc21 606231724 FOXZWSQGBSGDHP-AGHHOFFYSA-N 436.618 3.694 0 40 IHAB C[C@H]1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(C)c2C(F)(F)F)c1 614670776 MBOJEBDFPBGNAP-LBPRGKRZSA-N 441.429 3.643 0 40 IHAB COc1ccc(N2C(=O)C3(CCCC3)NC23CCN(CCC(F)(F)F)CC3)cc1OC 639415706 BVDCNKWXRFYJCW-UHFFFAOYSA-N 441.494 3.697 0 40 IHAB C=CC(=O)Nc1ccc(C(=O)N2Cc3sc(C(=O)OC)c(Br)c3C2)cc1 1587177645 DUSYKEYQFXRHPO-UHFFFAOYSA-N 435.299 3.578 0 40 IHAB CCOc1ccccc1[C@H]1C(C(N)=O)=C(C)N=C2N=C(SCc3ccccc3F)NN21 958590 WWBGLSHSKZLZPT-IBGZPJMESA-N 439.516 3.504 0 40 IHAB COc1ccc(-n2nc(C(=O)NC3CCCCC3)/c(=N/C(=O)c3ccccc3)s2)cc1 1409915 RGCLCFMCYIGDFK-BZZOAKBMSA-N 436.537 3.746 0 40 IHAB CC(=O)O[C@H]1N=C(c2ccccc2Cl)c2cc(Br)ccc2N(C(C)=O)C1=O 1424526 PSGPKOJDUNKVMZ-GOSISDBHSA-N 449.688 3.722 0 40 IHAB CCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc(OC)c(OC)c2)C1=O 2107449 HGHBFGPEVDBSSW-NBGIEHNGSA-N 447.535 3.670 0 40 IHAB biogenic CN(C)[C@@H](CNC(=O)CSc1nnc(-c2ccccc2F)n1C1CC1)c1ccccc1 2655962 BESIFJHYILWMDG-FQEVSTJZSA-N 439.560 3.930 0 40 IHAB COc1ccc(C(=O)Nc2ccccc2C(=O)N(Cc2ccco2)[C@@H](C(N)=O)C(C)C)cc1 3175703 ICABHLHEBWMNSH-JOCHJYFZSA-N 449.507 3.693 0 40 IHAB CC(C)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1ccco1 3255960 VPQMSOZVJTWGOC-NRFANRHFSA-N 433.508 3.645 0 40 IHAB COC(=O)c1ccc(C)c(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)c1 3332792 SRXOCDJCKWZMHZ-UHFFFAOYSA-N 430.526 3.517 0 40 IHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O 8685447 CGMPHEWFDHORKJ-SFQUDFHCSA-N 445.928 3.745 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1NC(=O)Cc1c(C)noc1C 8920847 BEYYUKDKXWYMLO-UHFFFAOYSA-N 449.916 3.935 0 40 IHAB C[C@@H](CCc1ccccc1)NC(=O)Cn1c2ccccc2c2nc3n(c(=O)c21)CCS3 8971683 BEYZBWQLQWKFGV-INIZCTEOSA-N 432.549 3.594 0 40 IHAB CCOc1cccc(N2C(=O)C[C@H](N3CCN(c4ccc(Cl)c(Cl)c4)CC3)C2=O)c1 9007794 YUFVODKQXSINRV-FQEVSTJZSA-N 448.350 3.846 0 40 IHAB COc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1S(=O)(=O)N1CCCCC1 9063769 OSSKVRLNQZGIAQ-UHFFFAOYSA-N 426.897 3.915 0 40 IHAB COc1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccc(Cl)cc34)C2)c(OC)c1 9198949 QEYQJFIAVHVCQV-OAHLLOKOSA-N 441.915 3.868 0 40 IHAB Cc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3N2[C@@H](C)C(=O)N2CCCCC2)c(C)c1 9254322 MUAPDGWQKXGUQU-WMZHIEFXSA-N 448.567 3.860 0 40 IHAB CCN1CCN(c2ccc(Cl)cc2NC(=O)[C@@H]2CCCN2C(=O)c2cccs2)CC1 9353421 QDMNNRYIBCGPEP-IBGZPJMESA-N 447.004 3.787 0 40 IHAB COc1ccc(CN(C(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)[C@@H]2CCS(=O)(=O)C2)cc1 9460883 QEPWMNSOPZJPKQ-HFTRVMKXSA-N 446.396 3.802 0 40 IHAB CCN1C[C@H](CN(C)C(=O)c2ccc(Cl)cc2N2CCCC2=O)Oc2ccccc21 9470867 BEIXRTIASVGAOC-KRWDZBQOSA-N 427.932 3.826 0 40 IHAB O=C(NCc1ccccc1F)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 9508564 GCAWFGMURXAXGL-UHFFFAOYSA-N 444.450 3.562 0 40 IHAB CSCC[C@@H](NC(=O)c1ccco1)C(=O)OCC(=O)N(Cc1ccccc1)C(C)(C)C 9625013 GMMIAGRMABIORI-GOSISDBHSA-N 446.569 3.502 0 40 IHAB CN(c1ccc(-c2csc(NC(=O)c3ccc4c(c3)CCC4)n2)cc1)S(C)(=O)=O 9684341 QPJUSYOSBPTSAC-UHFFFAOYSA-N 427.551 3.947 0 40 IHAB CCCCc1ccc(NC(=O)COc2cc(=O)n(-c3ccccc3)nc2C(=O)OCC)cc1 9761894 CKXCIJWBCNPTIO-UHFFFAOYSA-N 449.507 3.769 0 40 IHAB Cc1nc(-c2cccc(NC(=O)CN(C)S(=O)(=O)/C=C/c3ccccc3)c2)cs1 9813373 BBMANGFEYHAXNU-VAWYXSNFSA-N 427.551 3.990 0 40 IHAB COc1ccc(C(=O)NC(=S)Nc2ccc(Cc3c(C)nn(C)c3C)cc2)cc1OC 10003751 KDAAZGJJZQZFFX-UHFFFAOYSA-N 438.553 3.772 0 40 IHAB CC[C@H](C)n1nccc1NC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 10030863 LKGQPXOAILSOAA-KRWDZBQOSA-N 438.553 3.853 0 40 IHAB Cc1ccc(NC(=O)CSc2nc(=O)n(Cc3ccncc3)c3c2CCCC3)c(C)c1 10186698 RNXCKKNEJUPICC-UHFFFAOYSA-N 434.565 3.913 0 40 IHAB C[C@H](NC(=O)[C@@H](C)OC(=O)Cc1n[nH]c(=O)c2ccccc12)c1ccc(Cl)cc1Cl 10914466 NLABTBNPRQSKDG-NWDGAFQWSA-N 448.306 3.582 0 40 IHAB Cc1nn(C)cc1C(=O)N1CCC(c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C(C)C)N3)CC1 12182600 BKPDWAZBOSOQAL-FUHWJXTLSA-N 438.498 3.888 0 40 IHAB COc1ccc(Cn2nccc2NC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)cc1 12409491 DELLIRMUEFUKJQ-UHFFFAOYSA-N 432.436 3.619 0 40 IHAB COc1ccc2nc(-c3ccc(C)c(NS(=O)(=O)c4cc(C)ccc4OC)c3)cn2n1 12441324 JPLIPIGKDXNJNL-UHFFFAOYSA-N 438.509 3.831 0 40 IHAB Cn1ccnc1[C@@H](NC(=O)c1ccccc1I)c1ccc(F)cc1 12559415 HSEUBZLDKKSFLI-INIZCTEOSA-N 435.240 3.683 0 40 IHAB COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Br)ccc1OC 12615488 SFZIYFIELAJRSA-SFHVURJKSA-N 446.301 3.733 0 40 IHAB O=C(CNC(c1ccccc1)c1ccccc1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 12786067 RYAJMQIEWAOTBL-UHFFFAOYSA-N 449.576 3.789 0 40 IHAB COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(c3ncccn3)CC2)cc1Cl 12848936 BSYIHVGUTWVCFA-OAQYLSRUSA-N 437.931 3.641 0 40 IHAB COCCNC(=O)COc1cc2c(c3oc(=O)cc(-c4ccccc4)c13)CCC(C)(C)O2 12887422 ZGAZMJPIGOURII-UHFFFAOYSA-N 437.492 3.705 0 40 IHAB biogenic CCC(C)(C)NC(=O)[C@H](c1ccccc1F)N(C(=O)Cn1nnc2ccccc21)C1CC1 13024148 JUULSQNVTCMQPI-QFIPXVFZSA-N 437.519 3.608 0 40 IHAB CCc1nnc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2C)s1 13513273 XSWOXPOOAWBFHH-UHFFFAOYSA-N 437.554 3.782 0 40 IHAB COc1ccc(-c2cc3ccc(OCCN4C[C@H](C)O[C@H](C)C4)cc3oc2=O)cc1OC 13608085 JHPNABKDGOFUMU-CALCHBBNSA-N 439.508 3.965 0 40 IHAB biogenic CC(C)C(=O)N[C@]1(CC(=O)c2ccc(Br)cc2)C(=O)N(C)c2ccccc21 13623861 ZKNBUDWUIJBNES-NRFANRHFSA-N 429.314 3.666 0 40 IHAB CC[C@H](C(=O)Nc1cc(C(=O)OC)ccc1Cl)N(c1ccc(C)cc1)S(C)(=O)=O 13713761 PYNZLLDRJYWHIW-GOSISDBHSA-N 438.933 3.618 0 40 IHAB CC[C@@H](C(=O)Nc1cccc(Br)c1)N(c1ccc(F)cc1)S(C)(=O)=O 13715210 OSSMPHASAGSMRU-INIZCTEOSA-N 429.311 3.772 0 40 IHAB O=C(CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1)Nc1cccc2ncccc12 14329549 BAAFSSWNWAQZRC-UHFFFAOYSA-N 431.492 3.539 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3F)cc2)cc1 15439016 HTEZGCJBRGPUMW-UHFFFAOYSA-N 430.457 3.653 0 40 IHAB C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccc(N4CCCC4)cc3)c(Cl)c2)C1=O 15858464 YRLGYSJXHNFPTQ-AWEZNQCLSA-N 447.944 3.505 0 40 IHAB O=C(NCc1ccccc1)[C@H](c1cccnc1)N(C(=O)c1csnn1)c1ccccc1 15935676 SKKXQZPYRNYLTO-NRFANRHFSA-N 429.505 3.638 0 40 IHAB Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4c3ccc(C)c4C)[C@H]2C1=O 16000532 MILNJVZYCPJSNJ-BPJRARJCSA-N 449.938 3.696 0 40 IHAB COc1ccc(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccccc2)cc1OC 16227494 YGFQVUQDVONXIK-UHFFFAOYSA-N 432.542 3.666 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(C)cc3C)o2)cc1 17288011 UJZROOCMYLFLKO-UHFFFAOYSA-N 428.514 3.636 0 40 IHAB COc1ccc(C)cc1CC(=O)N1CCC[C@H](c2cc(N(C)C)nc(-c3cccnc3)n2)C1 19132993 IVGQRBMUBMTDHO-FQEVSTJZSA-N 445.567 3.870 0 40 IHAB Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)Oc2cccc(F)c2)cc(=O)[nH]1 19240951 IWWPGLIWRRKWKN-SPLOXXLWSA-N 434.471 3.566 0 40 IHAB O=C(C1CCC1)N1C[C@@H](c2ccsc2)[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3)CC[C@@H]21 19335134 LZGMTTYEQMHYSA-ACRUOGEOSA-N 448.585 3.693 0 40 IHAB O=C(c1ccccn1)N1CCCC[C@@H]1c1nc(O)c2c(n1)CN(Cc1cccs1)CC2 19400122 PRVBXUWJYIPEBS-HXUWFJFHSA-N 435.553 3.564 0 40 IHAB CCC(CC)C(=O)N1CC[C@@H](c2nc(O)c3c(n2)CCN(Cc2ccc(OC)cc2)C3)C1 19500095 GPHVABVUNPPSSG-LJQANCHMSA-N 438.572 3.501 0 40 IHAB Cc1nc([C@H]2CCCN(C(=O)c3ccccn3)C2)nc2c1CCCN2CCc1ccccn1 19706735 FDWWOOCUDPIWAO-FQEVSTJZSA-N 442.567 3.590 0 40 IHAB CCc1ncc(CN2CCC[C@H](c3ncc(C(=O)NCc4ccc(F)cc4)c(C)n3)C2)cn1 19765431 RPMVSZHOLUUQGT-FQEVSTJZSA-N 448.546 3.586 0 40 IHAB Cc1ncsc1C(=O)N1CCC(c2ccc(C(=O)Nc3ccc(F)cc3)c(N)n2)CC1 19765898 ZMBZOALHFYNBTG-UHFFFAOYSA-N 439.516 3.840 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1F 20006961 OPGPKBLIKDQTQR-HXUWFJFHSA-N 442.512 3.671 0 40 IHAB COc1ccc([C@@H](C)NC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)cc1OC 20038389 CNCOSGJVXGXZRT-QGZVFWFLSA-N 446.569 3.511 0 40 IHAB CCOC(=O)c1cc(NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)ccc1Cl 20108632 BTRWPFWMRIMVIV-UHFFFAOYSA-N 438.933 3.538 0 40 IHAB COc1cccc2cc(-c3ccc(OCC(=O)N[C@@H](CO)c4ccccc4)cc3)c(=O)oc12 20426559 JYSSZIWYJNLSFR-QFIPXVFZSA-N 445.471 3.697 0 40 IHAB biogenic Cc1ccc([C@H](C)NC(=O)C2CCN(S(=O)(=O)CCCc3ccccc3)CC2)cc1 20485333 HWVYIBUODVTDQL-FQEVSTJZSA-N 428.598 3.847 0 40 IHAB CCOc1ccc([C@@H](C)NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 20492104 UMBZLIVUPMEDDG-CQSZACIVSA-N 444.475 3.748 0 40 IHAB Cc1cccc(NC(=O)Cn2nc(-c3ccco3)c3sc(N4CCCC4)nc3c2=O)c1 23108964 BOJYPWQJKHFXOI-UHFFFAOYSA-N 435.509 3.660 0 40 IHAB CCOC(=O)Cc1csc(SCC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)n1 23223056 AOZCGMANRNRERE-HNNXBMFYSA-N 445.522 3.905 0 40 IHAB COc1cc2c(cc1/C=C/C(=O)N1CCN(Cc3nc4ccccc4s3)CC1)O[C@H](C)C2 23908385 RPLVLKRMVGFSOB-IWAYRVGRSA-N 449.576 3.986 0 40 IHAB COc1ccccc1CNC(=O)[C@H](C)NC(=O)c1ccc2nc(-n3cccc3)sc2c1 32092261 CCIJGHCVEGHCOJ-HNNXBMFYSA-N 434.521 3.530 0 40 IHAB CCOC(=O)c1c(CSc2nnnn2-c2ccccc2OC)nc2ccccc2c1C 32910377 SJWRKGYZWIOWQA-UHFFFAOYSA-N 435.509 3.997 0 40 IHAB CC(C)c1ccc(NC(=O)C(=O)NCCN2CCN(c3ccccc3)CC2)c(C(C)C)c1 32937419 VGVSQXPQYMRTAT-UHFFFAOYSA-N 436.600 3.810 0 40 IHAB CC(C)CCN(C(=O)c1cccc(Cl)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 33463073 BPLWYHWOUHVUKR-UHFFFAOYSA-N 440.931 3.513 0 40 IHAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)Nc2c(F)cccc2F)cc1 33625061 WBWRWGOOQZVLRH-UHFFFAOYSA-N 446.475 3.803 0 40 IHAB Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(C)n1-c1ccc(C#N)cc1 34880723 CVFFKQJTMSSNSS-UDWIEESQSA-N 434.521 3.625 0 40 IHAB COCCNC(=O)c1ccccc1NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1 39759750 ORFAVHGSUSYMBW-UHFFFAOYSA-N 447.938 3.706 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)ccc1C 40117580 DPDSFPPHRSTSEY-UHFFFAOYSA-N 449.598 3.889 0 40 IHAB O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(=O)c(OCc2ccccc2F)co1 40284104 YGHCLOUMKMQFDT-UHFFFAOYSA-N 436.483 3.752 0 40 IHAB COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)Nc2cccnc2N2CCCC2)CC1 48291084 BHFMJPAMZUZNMC-UHFFFAOYSA-N 442.947 3.835 0 40 IHAB Cc1ccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@@H](O)[C@@H]43)CC2)cc1C 49626720 ZZSQDHGSNRGFRY-FSGHIYQYSA-N 438.612 3.710 0 40 IHAB biogenic O=S(=O)(N[C@@H]1CCCC[C@H]1N1CCN(c2cccc(Cl)c2)CC1)c1ccccc1 58085769 MBKJPVCOWJBZMX-FGZHOGPDSA-N 434.005 3.752 0 40 IHAB C[C@H]1CC[C@@H]2N(C1)C[C@@H]1[C@@H]3C[C@H]4[C@H](CC(=O)[C@H]5C[C@@H](O)CC[C@@]54C)[C@@H]3CC[C@H]1[C@]2(C)O 70707856 IQDIERHFZVCNRZ-VERXASRYSA-N 429.645 3.886 0 40 IHAB biogenic C[C@H]1Cc2cc(S(=O)(=O)Nc3cc(C(N)=O)ccc3N3CCCCC3)cc(Cl)c2O1 72289727 QFGDPUIKEIDUSN-ZDUSSCGKSA-N 449.960 3.553 0 40 IHAB NS(=O)(=O)c1cccc2c1CCCN2S(=O)(=O)c1ccc(C2CCCCC2)cc1 72312987 QQGWJCNSQACSPG-UHFFFAOYSA-N 434.583 3.523 0 40 IHAB COc1ccc(OC)c(CN2CCN(c3c(F)cccc3[C@@H](O)c3nccs3)CC2)c1 72340572 DEARZKLVWQNAFB-JOCHJYFZSA-N 443.544 3.703 0 40 IHAB Cc1cccc(-c2ccccc2C[C@H]2C(=O)NCCN2C(=O)CCCc2ccccn2)c1 72351616 LTHZNVMDNXXDDN-VWLOTQADSA-N 427.548 3.949 0 40 IHAB O=C(COc1ccc(F)cc1)N1CC[C@@H](c2cc(CCOc3cccc(F)c3)[nH]n2)C1 72371695 OTYDDRHBIXPYJG-MRXNPFEDSA-N 427.451 3.704 0 40 IHAB Cc1ccc(NC(=O)[C@H]2C[C@@]3(CO2)CN(C(=O)c2ccc(F)cc2)c2ccccc23)cn1 96143978 YYTYLIZUKACTGN-RDGATRHJSA-N 431.467 3.855 0 40 IHAB COc1ccc(CN2C[C@@]3(CO[C@@H](C(=O)N(C)Cc4ccccn4)C3)c3ccccc32)cc1 96144536 TTZUQLBEECLONC-VPUSJEBWSA-N 443.547 3.796 0 40 IHAB CC[C@H](C)NC(=O)CSC1=N/C(=C/c2ccc(Cl)cc2)C(=O)N1C[C@@H]1CCCO1 96920773 JYAZHQYTOWSNMI-LHEZXGLHSA-N 435.977 3.706 0 40 IHAB COc1ccc(CNC(=O)[C@H]2C[C@H]3CC[C@@]2(C)C[C@]32NC(=O)c3ccccc3N2)cc1OC 100117342 NAPSXURYNZBPCB-YLGYYXADSA-N 449.551 3.698 0 40 IHAB CCCCN(C)S(=O)(=O)c1ccc(C(=O)/N=c2/sc3cc(C)ccc3n2C)cc1 100860573 YJSSWOGLDXVWIF-QURGRASLSA-N 431.583 3.710 0 40 IHAB CC1CCN(S(=O)(=O)c2ccc(C(=O)/N=c3/sc4cc(F)ccc4n3C)cc2)CC1 100861232 MAMMVRWTDOEWMF-XTQSDGFTSA-N 447.557 3.541 0 40 IHAB COC(=O)c1ccccc1NC(=O)CN1C(=O)CC(c2ccccc2)=Nc2ccccc21 101354209 GKVRTGWNXLLSFW-UHFFFAOYSA-N 427.460 3.969 0 40 IHAB Cc1ccc(Cl)c(NC(=O)C(=O)[C@@H](C(=O)c2ccncc2)[C@@H]2OC(=O)c3ccccc32)c1 102977276 UJIZTXYLKSOPLS-DENIHFKCSA-N 448.862 3.962 0 40 IHAB CC[C@H]1CCCCN1c1nc(=O)c2c([nH]1)NC(=O)C[C@H]2C(=O)Nc1ccc(C)cc1Cl 139121463 WMIVTFULSPGBQU-UONOGXRCSA-N 443.935 3.565 0 40 IHAB CCOc1ccccc1CNC(=O)[C@H](C)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 220257841 NIZZGPAMQMZNCP-ZDUSSCGKSA-N 445.368 3.863 0 40 IHAB CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN1C(=O)c2cccc3cccc1c23 222513136 TZSGQUNHQSSINW-HNNXBMFYSA-N 435.911 3.617 0 40 IHAB CCOc1ccc(N(CCCC(=O)NCCSC2CCCCC2)S(C)(=O)=O)cc1 222619445 NVGAYLKPKXHKOK-UHFFFAOYSA-N 442.647 3.814 0 40 IHAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc(OC)cc1 222634888 SXKMQTINNYOZJU-CYBMUJFWSA-N 425.312 3.544 0 40 IHAB Cc1ccc(N(CCCC(=O)NCCOc2cccc3ccccc23)S(C)(=O)=O)cc1 223557168 JHYQOFBACXLTDE-UHFFFAOYSA-N 440.565 3.890 0 40 IHAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCC3CCCCC3)cc2)cc1OC 223927369 BMQUBTUFOAXEFN-UHFFFAOYSA-N 446.569 3.839 0 40 IHAB COc1ccccc1OCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1 223934485 CBGHHMDHMRSEBU-UHFFFAOYSA-N 440.521 3.613 0 40 IHAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1F 224029441 UCLSGKIDXZXNOI-OAQYLSRUSA-N 430.520 3.937 0 40 IHAB Cc1cc(C)cc(OCCNC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2C)c1 224079383 TXRAMCBRMMVGAW-UHFFFAOYSA-N 444.597 3.841 0 40 IHAB CCc1ccc(CC)c(CNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3C)CC2)c1 224143137 MAAAGIJWALKNFR-UHFFFAOYSA-N 442.625 3.978 0 40 IHAB CCOC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(OC)c(Br)c1 224873323 ZTOWBHWGHBBUHO-UHFFFAOYSA-N 442.331 3.525 0 40 IHAB Cc1cc(C)c(N(CC(=O)Nc2nnc(SCC(C)C)s2)S(C)(=O)=O)c(C)c1 224980529 OUJQJJRXSIOPNK-UHFFFAOYSA-N 442.632 3.616 0 40 IHAB CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(Br)cc1Cl 225204773 BRYMATWARZNTOY-CYBMUJFWSA-N 439.737 3.645 0 40 IHAB CC[C@H](NC(=O)CCCN(c1ccccc1F)S(C)(=O)=O)c1ccc(OC)c(C)c1 225362018 JDOOGLWYONXEQV-IBGZPJMESA-N 436.549 3.956 0 40 IHAB O=C(NC1CCN(c2cc(C(F)(F)F)ncn2)CC1)c1cccc(Br)c1 225724722 SEDKEIQVSDOBIE-UHFFFAOYSA-N 429.240 3.657 0 40 IHAB COC(=O)Nc1ccc(S(=O)(=O)N2CCC(Oc3cccc4cccnc34)CC2)cc1 238949335 WSPVINHPLDSORA-UHFFFAOYSA-N 441.509 3.645 0 40 IHAB O=C1O[C@@]2(CCN(C(=O)C3(Cc4ccccc4)CCOCC3)C2)CN1c1cccc(F)c1 257201009 AFUIDXMVALYLLV-RUZDIDTESA-N 438.499 3.793 0 40 IHAB COc1cccc(Nc2cc(C)nc([C@H]3CCN(C(=O)CCCN4CCCC4=O)C3)c2)c1 257296729 REDSHVOYANEFLB-IBGZPJMESA-N 436.556 3.861 0 40 IHAB COc1ccc(CN2CCC3(CC2)CN(C)C(=O)c2cn(C4CCCC4)nc23)c(F)c1 306134396 NLVXEMOSBYDBKN-UHFFFAOYSA-N 426.536 3.765 0 40 IHAB O=C(Nc1ccc2c(c1)OCO2)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 408557191 LXRWFVCHOQEYHD-SFHVURJKSA-N 438.505 3.608 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3SC)C2)cc1 408559840 NBMBVPGCGUSHGV-INIZCTEOSA-N 434.583 3.847 0 40 IHAB O=C(CN1C(=O)S/C(=C/C=C/c2ccccc2)C1=O)N1CCN(c2ccccc2)CC1 409199123 NWHTZSWGBDHISQ-FPQBULDBSA-N 433.533 3.628 0 40 IHAB CCn1c(CNC(=O)c2ccc(C)cc2)nnc1SCC(=O)Nc1cc(C)cc(C)c1 409328542 XHRYAHRTZNQNBO-UHFFFAOYSA-N 437.569 3.884 0 40 IHAB C[C@@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)NCc1cccc(C(N)=O)c1)OCCO3 502169464 IWNYOWSCWKTYIZ-MRXNPFEDSA-N 435.524 3.655 0 40 IHAB Cn1ccnc1COc1ccc(CN2CCC[C@](O)(COc3ccccc3F)CC2)cc1 585271406 YDQDKKXDKFPANE-RUZDIDTESA-N 439.531 3.934 0 40 IHAB COc1cc(CNC(=O)[C@@H]2CCCCN2Cc2ccncc2)cc(Br)c1OC 1116024296 PTZOMUSOHNSJDI-SFHVURJKSA-N 448.361 3.532 0 40 IHAB CC1(C)[C@@H](c2ccc(F)c(F)c2)CCN1C(=O)Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1 1215966496 RWWKVJKFZBGMES-VQIMIIECSA-N 442.466 3.515 0 40 IHAB O=S(=O)(NC[C@@H](O)c1ccc(-c2cccs2)o1)c1ccc(OC(F)(F)F)cc1 1775966887 LKDJAUFGAYMITE-CYBMUJFWSA-N 433.429 3.919 0 40 IHAB CN(c1ncccc1C(F)(F)F)[C@@H]1CCCN(C(=O)c2cncc(Br)c2)C1 1889149377 CKKZURREOUYQLZ-CQSZACIVSA-N 443.267 3.999 0 40 IHAB CCOC(=O)COc1c(Br)ccc2c(C(=O)OCC)c(NC(C)=O)sc12 846111 XGURICAKFNIGHT-UHFFFAOYSA-N 444.303 3.741 0 40 IHAB O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2nsc3ccccc23)CC1 1915508 ZFZPJDFBJFHYIV-UHFFFAOYSA-N 440.613 3.908 0 40 IHAB in-man O=C(N[C@@]1(C(F)(F)F)N=C(SCc2ccccc2)NC1=O)c1cccc(Cl)c1 2439063 HXYUHJCSAULELI-QGZVFWFLSA-N 427.835 3.748 0 40 IHAB Cc1cc(C)c(C)c(S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)c2cccc(Cl)c2)c1C 3336961 XAXREBMLGNNWNM-INIZCTEOSA-N 437.945 3.667 0 40 IHAB Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)c(C)n1Cc1cccs1 8899021 FCUARDKOTGIIDZ-XMMPIXPASA-N 449.532 3.627 0 40 IHAB CSc1nc(NC(C)C)c2cnn(CCNC(=O)C34CC5CC(CC(C5)C3)C4)c2n1 8941204 PMBCTPUNHJUVQJ-UHFFFAOYSA-N 428.606 3.701 0 40 IHAB COc1ccc2c(c1OC)C(=O)N1[C@H]2SC(C)(C)[C@H]1C(=O)N[C@H](C)c1ccccc1 8952637 XIGLTUDNIPUDGN-PXROXKMBSA-N 426.538 3.930 0 40 IHAB biogenic CC(C)[C@H](NC(=O)CSc1nnc2n1CCCCC2)c1ccc2c(c1)OCCCO2 9217908 YJIMBKLLRRGHFU-NRFANRHFSA-N 430.574 3.771 0 40 IHAB CC(=O)Nc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)cc1 9356137 VDQUBBKIAPKXFO-UHFFFAOYSA-N 429.542 3.770 0 40 IHAB Cc1nc2ccc(NC(=O)C3CCN(S(=O)(=O)c4ccccc4F)CC3)cc2s1 9440164 LDNAEJSIUPQGLT-UHFFFAOYSA-N 433.530 3.783 0 40 IHAB O=C(c1ccccc1)C1CCN(C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)CC1 9986006 SKUZFDGCNGQJHJ-UHFFFAOYSA-N 440.565 3.596 0 40 IHAB Cc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)Nc1ccc2oc3ccccc3c2c1 10054369 RDDMRONUELSXCW-UHFFFAOYSA-N 427.464 3.916 0 40 IHAB CCN(CC)CCN(C(=O)Cc1ccccc1)c1nc2ccc(S(C)(=O)=O)cc2s1 10337371 PYAMUHRYVNAMHG-UHFFFAOYSA-N 445.610 3.617 0 40 IHAB O=C(C[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)NCCc1c[nH]c2ccccc12 11612951 WTHDMFMWNYFILC-LJQANCHMSA-N 443.544 3.599 0 40 IHAB COc1ccc(-c2cc3nc([C@@H](C)NC(=O)C4(c5ccccc5F)CC4)nn3cn2)cc1 12085107 KROFWMZDODWLFZ-OAHLLOKOSA-N 431.471 3.848 0 40 IHAB COc1cccc(-c2cc(C(=O)N3CCC[C@@H]([C@@H](NC(C)=O)c4nccs4)C3)no2)c1 12158119 LRWONUWWPQGDCM-OXQOHEQNSA-N 440.525 3.536 0 40 IHAB CCCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)Cc3ccccc3Cl)ccc21 12180472 ROUOMVPQRVQSGB-UHFFFAOYSA-N 442.990 3.774 0 40 IHAB O=C(CSC1=NS(=O)(=O)c2cc(Cl)ccc2N1)NCc1ccccc1Cl 12361062 BAGDQWDXTICXNN-UHFFFAOYSA-N 430.338 3.513 0 40 IHAB CCOC(=O)c1c(NC(=O)C2(S(=O)(=O)c3ccccc3)CC2)sc2c1CCCC2 12618056 CVAMTWVMCCIUCB-UHFFFAOYSA-N 433.551 3.749 0 40 IHAB Cc1cc(C)cc(OCC(=O)N2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)c1 12768875 BERVDYNUBRBQOQ-UHFFFAOYSA-N 440.931 3.730 0 40 IHAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)C1 12976005 JCLIAGFNWUJQIC-LBPRGKRZSA-N 432.329 3.638 0 40 IHAB Cc1c(C(=O)N(C)Cc2ccccc2Br)sc2nc3n(c(=O)c12)CCC3 12998780 FYAQQNRJACQMJE-UHFFFAOYSA-N 432.343 3.747 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCN(c3nc(C)nc4sc(C)c(C)c34)CC2)cc1 13038117 VTQNXACEPUYEGI-UHFFFAOYSA-N 446.598 3.526 0 40 IHAB COCCN1C(=O)C[C@H](C(=O)O)[C@H]1c1ccc(OCc2cccc(Cl)c2)c(OC)c1 13721504 INVDLUJUAWTDPB-LAUBAEHRSA-N 433.888 3.548 0 40 IHAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccccc2F)CC1 13990302 ODHVUTLGXNPZDF-UHFFFAOYSA-N 434.533 3.997 0 40 IHAB O=C(c1cccc(N2CCCS2(=O)=O)c1)N1CCC[C@@H](c2nc3ccccc3s2)C1 14072718 KSBZDJHCJUYZFK-QGZVFWFLSA-N 441.578 3.856 0 40 IHAB O=C(N[C@H]1CCSc2ccc(F)cc21)C1CCN(S(=O)(=O)c2ccccc2)CC1 14230015 ZCQZSVUEAGGDCM-IBGZPJMESA-N 434.558 3.580 0 40 IHAB CCCNC(=O)CSc1nn(CN(C)Cc2ccc(OCC)cc2)c(=S)s1 14241317 VYJQQDNJEBBTLP-UHFFFAOYSA-N 426.633 3.781 0 40 IHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(Sc2nnc(-c3ccco3)n2C)nc1 14287299 JWPTVDFWIQLNIG-UHFFFAOYSA-N 441.538 3.837 0 40 IHAB COc1cc(C(=O)NCCc2ccc(-n3cccn3)cc2)cc(OC)c1Br 14417115 FTBIBEDPZCDRRZ-UHFFFAOYSA-N 430.302 3.625 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCc1ccc(Cl)cc1 15340235 XWZFMCXQOSWCJD-UHFFFAOYSA-N 436.961 3.843 0 40 IHAB CCOc1ccc(NC(=O)c2ccc3ncsc3c2)cc1S(=O)(=O)N1CCCC1 15788320 SDWUUDDYZINODL-UHFFFAOYSA-N 431.539 3.732 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F 16188430 IMQUXNIXJBNVRP-UHFFFAOYSA-N 436.839 3.627 0 40 IHAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(Cl)cc2Cl)cc1C 16692235 FFOBFAFRQKQQHO-UHFFFAOYSA-N 445.368 3.637 0 40 IHAB C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(OC(=O)[C@H]4CC(=O)N(c5ccccc5)C4)cc3)C(=O)[C@@H]2C1 18244693 AZDCWFCABWWOPR-XKPGHWPRSA-N 446.503 3.571 0 40 IHAB Cc1cc(-c2cnc(NCCCOC(C)C)nc2-c2ccc(N3CCOCC3)nc2)on1 19124015 QHBPESAGMUWVES-UHFFFAOYSA-N 438.532 3.566 0 40 IHAB Cc1ccc(C(=O)N2CCC[C@@H](c3nc4c(c(=O)[nH]3)CN(Cc3cccs3)CC4)C2)cc1 19135207 AIPFSPLTDSUUJE-LJQANCHMSA-N 448.592 3.718 0 40 IHAB CC(C)NC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)c2cn(C)cn2)C1 19449492 DVPIVIGCHDDCNP-DEOSSOPVSA-N 436.581 3.748 0 40 IHAB Cc1ccccc1CN1CCO[C@H](c2c(C(=O)N3CCOCC3)sc3ncccc23)C1 19703242 YDKFDQIAQOHVRA-FQEVSTJZSA-N 437.565 3.651 0 40 IHAB CC(C)Nc1n[nH]c2nc(C3CCN(C(=O)[C@H]4CCCO4)CC3)cc(C(F)(F)F)c12 19745039 WYDDTLPQVWQRCD-OAHLLOKOSA-N 425.455 3.682 0 40 IHAB COc1ccc(NC(=O)CN2CC[C@]3(O)CCCC[C@@H]3[C@@H]2c2ccc3c(c2)OCO3)cc1 20391423 BVNRRQKOVUQHSQ-DCEDVJGZSA-N 438.524 3.731 0 40 IHAB biogenic CS(=O)(=O)N(Cc1ccccc1F)c1ccc(OCC(=O)Nc2ccccc2)cc1 22233476 HSHAJEMUABOVHU-UHFFFAOYSA-N 428.485 3.809 0 40 IHAB Cc1ccc(OC[C@H](C)NC(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1 22366179 LNLJWDQPXPPYND-AWEZNQCLSA-N 445.368 3.652 0 40 IHAB c1ccc(-c2nc(N3CCN(Cc4nnc5n4CCCCC5)CC3)c3ccccc3n2)cc1 24528874 FAIIFXZQCGVISZ-UHFFFAOYSA-N 439.567 3.937 0 40 IHAB CCOC(=O)C1CCN(C(=O)[C@H](C)OC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)CC1 24923690 URNUMYTWKNWOBV-CVEARBPZSA-N 440.540 3.640 0 40 IHAB COc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3N2C(=O)c2ccccc2OC)cc1 27016794 NQWGJKFVEALLCW-OAQYLSRUSA-N 445.475 3.700 0 40 IHAB CC(C)(C)c1ccc([C@H](CNC(=O)c2cc(=O)c3ccccc3o2)N2CCOCC2)cc1 28291710 SXGLIDYBTNTQOF-NRFANRHFSA-N 434.536 3.894 0 40 IHAB COc1ccc(CN2CCCN(C(=O)COc3ccc(Br)cc3)CC2)cc1 32860421 AXVZVRDATMIOHZ-UHFFFAOYSA-N 433.346 3.571 0 40 IHAB CCCn1c(=O)c2cc(Cl)ccc2n2c(SCC(=O)Nc3ccc(F)cc3)nnc12 33255051 RNSPEVKRZXYCAA-UHFFFAOYSA-N 445.907 3.978 0 40 IHAB O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)NC1CCCCCC1 33656811 NJOALWZGUWSXSU-UHFFFAOYSA-N 428.554 3.656 0 40 IHAB COc1ccccc1CCNC(=O)[C@@H](C)NC(=O)c1ccc2nc(-n3cccc3)sc2c1 36595034 VVBLMAXIGSGZCQ-MRXNPFEDSA-N 448.548 3.573 0 40 IHAB COc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)n2nc(C)cc2C)cc1Cl 38654852 KJRKSSPXTZHZIQ-UHFFFAOYSA-N 439.946 3.737 0 40 IHAB COc1ccc(OC)c(CN2CCN(C(=O)c3c[nH]nc3-c3ccc(Cl)cc3)CC2)c1 40039562 GXRZDRUSUPRDGJ-UHFFFAOYSA-N 440.931 3.705 0 40 IHAB CCCc1nnc(S)n1CC(=O)N1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1 40110378 GDYBOQWZQYKRBA-UHFFFAOYSA-N 428.602 3.839 0 40 IHAB O=C(c1ccc(Cn2nnc3ccccc32)cc1)N(Cc1cccnc1)C[C@@H]1CCCO1 40156850 JDFILYCUNCHMFQ-QFIPXVFZSA-N 427.508 3.696 0 40 IHAB COCc1nn2c(C)c(C(=O)Nc3ccc(C)cc3)nnc2c1-c1ccc(OC)c(OC)c1 40372642 JAYLHXCFFAGVDE-UHFFFAOYSA-N 447.495 3.824 0 40 IHAB Cc1cc2nc(COc3ccc(NC(=O)COc4ccc(Cl)cc4)cc3)cc(=O)n2o1 41085693 YYQGXGMCCBAWAS-UHFFFAOYSA-N 439.855 3.846 0 40 IHAB CCOc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccc(CC)cc5)no4)ncn3n2)cc1 48986238 DRQRHOGYCGIGCN-UHFFFAOYSA-N 442.479 3.617 0 40 IHAB CCOc1ccccc1NC(=O)Cn1cc(-c2ccccc2)c2ncn(CCOC)c(=O)c21 48987977 MIFFQEAANKFAFF-UHFFFAOYSA-N 446.507 3.549 0 40 IHAB O=C(NC(=S)NCc1ccc(-c2nc3ncccc3o2)cc1)c1ccc2nsnc2c1 57328389 DAIFHEJWHQKACM-UHFFFAOYSA-N 446.517 3.699 0 40 IHAB COC(=O)c1ccccc1NC(=O)Cn1c(-c2cccc(Cl)c2)nc(C)c(C)c1=O 57528017 GXVMXXCAMMCIIR-UHFFFAOYSA-N 425.872 3.606 0 40 IHAB CCCN(CC(F)(F)F)C(=O)CCCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C 59252759 LAVPNQDUCQNJRR-HXUWFJFHSA-N 425.451 3.567 0 40 IHAB COc1ccc(C2=NC3(CCCCC3)N(CC(=O)Nc3ccc(C(C)=O)cc3)C2=O)cc1 71768967 HZRNTRIVVHYMDQ-UHFFFAOYSA-N 433.508 3.828 0 40 IHAB Cc1ccc(C(=O)N2CCC[C@H](c3nc(N4CCOCC4)ncc3-c3ccncc3)C2)cc1 72338416 IBDWWHJXKBSJJP-QFIPXVFZSA-N 443.551 3.703 0 40 IHAB CCn1cc(CN2CCC[C@H](c3cc(-c4ccc(C(=O)NC)nc4)cc(C)n3)C2)c(C)n1 72353683 SBIMAOQKEDNGIV-FQEVSTJZSA-N 432.572 3.716 0 40 IHAB Cc1nc2cc([C@H]3CCN(C(=O)C(C)(C)C)C3)nn2c(C)c1CCC(=O)NC1CCCC1 72369606 ZBXYNXGOFKNXIN-SFHVURJKSA-N 439.604 3.700 0 40 IHAB Cc1cc(C)nc(N2CCC[C@H](c3nc(C)c4c(n3)N(Cc3cccc(F)c3)C(=O)C4)C2)n1 72371938 OWESHCKHADKPKV-IBGZPJMESA-N 446.530 3.804 0 40 IHAB CCC(CC)[C@@H](CNC(=O)Cn1c(S)nnc1-c1ccc(Cl)cc1)N1CCCC1 79060604 QZAZJTXUMFDWLB-GOSISDBHSA-N 436.025 3.904 0 40 IHAB CC[C@H](NC(=O)c1cccc(Cn2nc(C)cc2C)c1)[C@H]1CN(Cc2ccccc2)CCO1 79108526 BYLONEAUOHPNPD-IZZNHLLZSA-N 446.595 3.958 0 40 IHAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc2c(c1)CCCO2 95458807 ADUCRQZXZABFMQ-UHFFFAOYSA-N 442.459 3.680 0 40 IHAB CC(C)(C)NS(=O)(=O)c1ccc(-c2nc(-c3ccccc3Br)no2)o1 95942964 BAOVLPUABPKNBG-UHFFFAOYSA-N 426.292 3.836 0 40 IHAB Cc1cnc(CNC(=O)c2cc3c(c4ccccc4n3C(C)C)n2-c2ncccn2)cn1 96264208 PTCDRLQIVCUFEQ-UHFFFAOYSA-N 425.496 3.985 0 40 IHAB CCOc1cc(/C=C2/N=C(c3cccc(Cl)c3)OC2=O)ccc1OCC(=O)N(C)C 97987516 OPFQVDSMGMNEDI-LICLKQGHSA-N 428.872 3.550 0 40 IHAB CC(C)(C)c1cc2nccc([C@H]3CC[C@H](CNC(=O)CCc4cc(O)no4)CC3)n2n1 100159402 NYIATCOCEXDTJI-IYBDPMFKSA-N 425.533 3.743 0 40 IHAB NC(=O)c1cc([C@H]2CC[C@H](CNC(=O)COc3ccccc3F)CC2)nc2ccccc12 100658073 BRNBMXTVYQNABJ-CALCHBBNSA-N 435.499 3.942 0 40 IHAB COc1c(C)cccc1C(=O)N[C@@H](c1cc(O)n2nc(C3CCOCC3)cc2n1)C(C)C 100730046 CULSCBZJTOZMEA-JOCHJYFZSA-N 438.528 3.773 0 40 IHAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1Br)N1CCCN1[C@@H]2c1ccc(Cl)cc1 100784978 QJCURQTXLXBLPY-KSZLIROESA-N 446.732 3.638 0 40 IHAB CCCCOC(=O)c1ccc(N2C(=O)C[C@H](NCCc3c[nH]c4ccccc34)C2=O)cc1 101319297 DPBZWGLQQUZBTA-QFIPXVFZSA-N 433.508 3.589 0 40 IHAB Cc1sc(N2C(=O)[C@@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)c(C(N)=O)c1-c1ccc(C(C)(C)C)cc1 102230461 PVKHYBNHAYKHSF-UOVPBQLFSA-N 438.549 3.787 0 40 IHAB Cc1ccc([C@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)cc1C 219254352 DURAQFJMJOCFAA-SFHVURJKSA-N 432.561 3.862 0 40 IHAB COc1cccc(CCCNC(=O)[C@@H](C)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)c1 220368348 GYROZEVJQWCCFF-MRXNPFEDSA-N 438.977 3.561 0 40 IHAB CCOc1ccccc1N(CCCC(=O)N[C@@H](C)c1ccccc1OC)S(C)(=O)=O 223132195 WENWNDVYZSBVPP-KRWDZBQOSA-N 434.558 3.518 0 40 IHAB O=C(NCCO)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 223209018 DOCGBYXSRQILEN-VWLOTQADSA-N 448.538 3.507 0 40 IHAB CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(C(=O)O)cc2)o1 223284884 KXFYHSXYZKWNCL-SFTDATJTSA-N 436.537 3.574 0 40 IHAB CCOc1ccccc1N(CC(=O)NCC1=CCCCC1)S(=O)(=O)c1ccccc1 223489316 ZWDVXYWNKANPRD-UHFFFAOYSA-N 428.554 3.897 0 40 IHAB O=C(NCCCO)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 223489542 OAUUPESIHJMCGI-RUZDIDTESA-N 434.511 3.637 0 40 IHAB CS(=O)(=O)N(CC(=O)NCCc1ccc(Cl)cc1)c1cccc(Cl)c1Cl 223711584 AOFSKVKLAVHSFN-UHFFFAOYSA-N 435.760 3.772 0 40 IHAB CC[C@H](C(=O)NCCOc1ccc(Cl)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 224300565 XJNLSMHKUYPJHE-GOSISDBHSA-N 445.368 3.733 0 40 IHAB CC(C)(C)CNC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1Cl 226083042 MYGNOUHQIVBJJG-UHFFFAOYSA-N 436.961 3.633 0 40 IHAB Cc1ccccc1OCCC(=O)N1CCO[C@H](c2cccc(Nc3cc(C)n(C)n3)n2)C1 257221550 DPOCWPRPVUTRJR-NRFANRHFSA-N 435.528 3.545 0 40 IHAB O=C(N1CCC[C@@H](c2cnccn2)C1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 257242479 ICTAZZDYEJSSSS-MRXNPFEDSA-N 433.961 3.623 0 40 IHAB CC1(C)Oc2ccccc2[C@H]2O[C@H]3CCN(C(=O)c4ccccc4OCC(=O)O)[C@@H]3C[C@@H]21 257253827 KAKCSSMIHDYQNW-KXXHFCIOSA-N 437.492 3.682 0 40 IHAB COc1ccccc1[C@H]1CN(C(=O)C2(C)CCN(Cc3ccccc3)CC2)CCN1C(C)=O 257275532 NPUGYJYPMKHGIY-XMMPIXPASA-N 449.595 3.729 0 40 IHAB O=C(c1ccc(-n2cccn2)nc1)N1CCC[C@@H]1c1cncc(Cc2cccc(F)c2)n1 257279217 OFONUCKJVHPMFZ-JOCHJYFZSA-N 428.471 3.765 0 40 IHAB O=C(NCCCN1CCOCC1)C1(Cc2cccc(-c3ccc(F)cc3)c2)CCOCC1 257280807 OMNDOFOGQYLPBF-UHFFFAOYSA-N 440.559 3.671 0 40 IHAB CS(=O)(=O)N(CC(=O)NC12CC3CC(CC(C3)C1)C2)c1cc(Cl)cc(Cl)c1 408630200 PGTJBNIPNOWPMI-UHFFFAOYSA-N 431.385 3.844 0 40 IHAB C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 408645708 HWQMLTQPNVJOJO-KBAYOESNSA-N 436.895 3.920 0 40 IHAB COc1ccc(-c2nnc(CN(C)C(=O)COc3ccc(Cl)c(C)c3)o2)cc1OC 408714101 IRMJRYBCTRMNNP-UHFFFAOYSA-N 431.876 3.753 0 40 IHAB COc1cccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3cccc(C)c3)[C@H]2c2ccc(Cl)cc2)c1 409054365 JFWZJHMWMWGZSE-VNGKGULCSA-O 448.930 3.673 0 40 IHAB Cc1cc(Br)cc(C)c1NC(=O)CSc1nnc(Cc2ccccc2)n1N 409104939 LKBQGOAATFSGKD-UHFFFAOYSA-N 446.374 3.693 0 40 IHAB O=C(Nc1cc(-c2cccs2)nn1CCO)C1=Cc2cc(Br)ccc2OC1 534929583 CAGDJXLYVCVVQG-UHFFFAOYSA-N 446.326 3.781 0 40 IHAB Cc1ccc(C)c(OC[C@@]2(O)CN(C[C@]3(O)CC[C@@H](C(C)(C)C)CC3)CC[C@@H]2O)c1C 585285543 ZOMIEUDDEDLDEQ-RLBRRGQKSA-N 433.633 3.756 0 40 IHAB CC(=O)N1CCCN(C)CCN(C(=O)c2ccc3c(c2)ncn3C(C)C)Cc2ccccc21 643557123 GUJYUABBWNSEGQ-UHFFFAOYSA-N 447.583 3.948 0 40 IHAB CC(C)CCN1CCC2(CCCCCOC[C@@H](C)NC(=O)[C@H](CC(C)C)NC2=O)CC1 643581704 SNPQRONVAKDLOS-YADHBBJMSA-N 437.669 3.741 0 40 IHAB C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)N2CC(=O)NC[C@H]2c2ccccc2)C1 1666807858 XWQSWWGCIYEUNC-SVMVAKDDSA-N 434.540 3.510 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CSc2nnc(CNc3ccc(OC)cc3)o2)cc1 870386 MNDXPNFQKPRHLI-UHFFFAOYSA-N 442.497 3.598 0 40 IHAB O=C(Cn1nnc(-c2ccccc2NC(=O)c2cccc(Cl)c2)n1)Nc1ccccc1 1361762 QJRZMTHQTUKQAS-UHFFFAOYSA-N 432.871 3.885 0 40 IHAB C[C@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(S(=O)(=O)N2[C@@H](C)CCC[C@H]2C)cc1 1368247 GHQNOWBZSFLQEI-USTZCAOPSA-N 428.620 3.590 0 40 IHAB CCC[C@@H](NC(=O)Cc1c(C)c2cc3c4c(oc3c(C)c2oc1=O)CCCC4)C(=O)O 2107274 XTWOZEYHCOKHAC-GOSISDBHSA-N 425.481 3.947 0 40 IHAB biogenic COc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)Nc3nc(N4C(=O)CCC4=O)nn32)cc1 2390936 UXLUMINOBNLPDQ-MSOLQXFVSA-N 437.887 3.740 0 40 IHAB COc1ccc(CN(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 8590067 SCECBGZUNUEOGI-HXUWFJFHSA-N 431.554 3.560 0 40 IHAB Cc1c(CC(=O)N[C@@H](Cc2ccccc2)C(=O)O)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 8765295 AILRORDLONJYKG-FQEVSTJZSA-N 449.503 3.560 0 40 IHAB biogenic O=C(CSc1nnnn1-c1ccc(O)cc1)N[C@@H](Cc1ccccc1)c1ccccc1 8772350 FNILJXJHCBPAAD-NRFANRHFSA-N 431.521 3.560 0 40 IHAB C[C@@H](c1ccccc1)n1c(SCn2nnc3ccccc3c2=O)nc2ccccc2c1=O 8884372 AHYSBJUGBDYWRL-INIZCTEOSA-N 441.516 3.861 0 40 IHAB CN(Cc1ccc(Cl)s1)C(=O)CN1C(=O)N[C@](C)(c2cccc3ccccc23)C1=O 8897001 AQGCJKUXWYNFQK-JOCHJYFZSA-N 441.940 3.980 0 40 IHAB COc1ccccc1NC(=O)c1nc(S(=O)(=O)Cc2ccc(C)cc2)ncc1Cl 8917466 YRLKBSVBFBRONT-UHFFFAOYSA-N 431.901 3.673 0 40 IHAB Cc1cc(C)n2nc(SCC(=O)N3N=C(c4cccs4)C[C@H]3c3ccco3)nc2n1 8965850 RVTKOOOITHTRFL-HNNXBMFYSA-N 438.538 3.866 0 40 IHAB O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)c1ccc(NC(=O)c2ccccc2)cc1 9056722 OFMJVIFFTWYLAM-AREMUKBSSA-N 439.471 3.515 0 40 IHAB COc1cccc([C@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2CCCO)c1 9124456 YPCRVRKMXATAPT-NRFANRHFSA-N 427.888 3.680 0 40 IHAB C[C@@H](c1ccccc1)N1C[C@@H](C(=O)Nc2cc(Cl)ccc2N2CCOCC2)CC1=O 9224261 AWKDUWUNKRYTMR-WMZOPIPTSA-N 427.932 3.725 0 40 IHAB CC(=O)Nc1ccc(NC(=O)CSc2nnc(COc3cc(C)ccc3C)n2C)cc1 9263861 DMBJFAMPIFKVSC-UHFFFAOYSA-N 439.541 3.700 0 40 IHAB Cc1cc(C(=O)CN2C(=O)CC3(CCCCC3)C2=O)c(C)n1Cc1ccc2c(c1)OCO2 9451236 NXPDBOLEAURLAR-UHFFFAOYSA-N 436.508 3.774 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)c1 9465850 IMNLVKOPJUWNDH-UHFFFAOYSA-N 449.573 3.904 0 40 IHAB O=C(CSc1nnc(NC2CC2)s1)Nc1ccccc1C(=O)NCc1ccccc1 9504064 PZBBVMGRKCEXNZ-UHFFFAOYSA-N 439.566 3.773 0 40 IHAB COc1cc(OC)cc(C(=O)Nc2nc(CC(=O)N3c4ccccc4C[C@@H]3C)cs2)c1 9659222 GVBYZZQRBKFQES-AWEZNQCLSA-N 437.521 3.933 0 40 IHAB Cc1ccc(CCCNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 10110465 CWRNLGJEHOEGIP-UHFFFAOYSA-N 429.369 3.817 0 40 IHAB CN(C)S(=O)(=O)c1ccc(C(=O)N(C(=O)N2CCCCC2)c2cccc(Cl)c2)cc1 10254607 QVFRWRVSBNZSIF-UHFFFAOYSA-N 449.960 3.843 0 40 IHAB COC(=O)c1ccc(NC(=O)CCCN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 10357930 ZGXAVYHPYNXDTA-UHFFFAOYSA-N 438.933 3.620 0 40 IHAB CCOC(=O)CSc1nc2cc(C(=O)OC)ccc2c(=O)n1Cc1ccc(Cl)cc1 10433793 BFALOYYTGCRDIO-UHFFFAOYSA-N 446.912 3.540 0 40 IHAB C[C@H](OC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 10914474 NLABTBNPRQSKDG-RYUDHWBXSA-N 448.306 3.582 0 40 IHAB COc1ccc2c(c1)C=C(C(=O)N[C@@H](C)c1nc3cc(-c4ccccc4F)ncn3n1)CO2 12085142 YYRXUXDKZOBLQF-AWEZNQCLSA-N 445.454 3.592 0 40 IHAB CC(C)(O)C(=O)N1CCC[C@H](c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)C1 12219812 NCKCHXMINGMMCQ-LBPRGKRZSA-N 438.475 3.954 0 40 IHAB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccccc2Br)N1C(C)=O 12662088 DVECIDKWIISVPT-AZUAARDMSA-N 427.298 3.966 0 40 IHAB biogenic CC(C)(C)c1cn2nc(N3CCC(C(=O)c4ccc5c(c4)OCCO5)CC3)sc2n1 12735841 DRLFEXUURULBOS-UHFFFAOYSA-N 426.542 3.959 0 40 IHAB O=C(NCc1ccccc1F)[C@@H]1CS[C@@]2(c3ccc(Br)cc3)CCC(=O)N12 12748896 FFIUCHCCYUAVLB-FXAWDEMLSA-N 449.345 3.795 0 40 IHAB COc1cc(C(=O)N2Cc3cc4c(cc3C3(CCCC3)C2)OCCO4)cc(OC)c1OC 12938474 GHDOHAYBFNIDAS-UHFFFAOYSA-N 439.508 3.951 0 40 IHAB Cn1c(SCC(=O)Nc2ccc(NC(=O)CC(C)(C)C)cc2)nnc1-c1ccncc1 13513020 RYQPRDRVYXRIPI-UHFFFAOYSA-N 438.557 3.983 0 40 IHAB COC(=O)[C@H](CC(=O)c1ccc(OC)cc1)c1cc(=O)oc2cc(OC)c(Cl)cc12 13727087 UHPSUEWIPLWRLL-MRXNPFEDSA-N 430.840 3.993 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(C(F)(F)F)cc1 16188217 ZAWYZGGWINLLKX-UHFFFAOYSA-N 436.839 3.627 0 40 IHAB COc1cc2nc3sc(Nc4ccc(Br)cc4)nn3c(=O)c2cc1OC 16944191 PKTRDDPGSQYGLS-UHFFFAOYSA-N 433.287 3.828 0 40 IHAB CCOC(=O)Nc1cccc(C(=O)N(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)c1 18012615 DYHRYOSNSYNLKV-UHFFFAOYSA-N 439.390 3.864 0 40 IHAB O=C(COc1ccc(I)cc1)Nc1nnc(-c2ccccc2)s1 18702822 MYOVSOPSIWUNDK-UHFFFAOYSA-N 437.262 3.827 0 40 IHAB CNC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CCN(C(=O)Cc2ccc(C)cc2)C1 19209248 APDIYBALFMSMKS-HHHXNRCGSA-N 427.548 3.807 0 40 IHAB CCN1CCN(C(=O)c2cncc(O)c2)C[C@H](Cc2ccccc2-c2ccc(C)cc2)C1=O 19527613 ZPTIIHBBTUDBIY-QHCPKHFHSA-N 443.547 3.926 0 40 IHAB Cc1sc2ncn(CC3(O)CCN(Cc4cccc(OC(C)C)c4)CC3)c(=O)c2c1C 19561561 RPSMNGKHFACPLJ-UHFFFAOYSA-N 441.597 3.889 0 40 IHAB CN(C)C(=O)c1sc2ccccc2c1[C@@H]1CN(C(=O)c2cc(C3CC3)on2)CCO1 19696755 XYPWDBGQQRNZJD-KRWDZBQOSA-N 425.510 3.682 0 40 IHAB CNc1nc([C@@H]2CCCCN2C(=O)c2cc3c(C)cccc3[nH]2)nc2c1CCN(C(C)=O)C2 19708651 PSXMAGQNQDZZCE-QFIPXVFZSA-N 446.555 3.580 0 40 IHAB COc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1 19862699 BAUVISJXRCTJBW-HNNXBMFYSA-N 440.924 3.668 0 40 IHAB COc1cc(CN(C(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)C2CC2)ccc1OC(F)F 21600326 NINOPWCYQMTFED-OAHLLOKOSA-N 448.441 3.980 0 40 IHAB CS(=O)(=O)N(Cc1ccccc1)c1ccc(OCC(=O)Nc2ccc(F)cc2F)cc1 22231130 CRPDMWIJRGFWAY-UHFFFAOYSA-N 446.475 3.949 0 40 IHAB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)cc1C 22268101 TWWPHWDISYRKHE-QFIPXVFZSA-N 444.597 3.732 0 40 IHAB Cc1cc2nc(C)c(CCC(=O)N(C)CC(=O)Nc3c(Cl)cccc3Cl)c(C)n2n1 24735580 PXAYMHAEBYJEAW-UHFFFAOYSA-N 448.354 3.991 0 40 IHAB C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1)c1ccncc1 25379667 SNOHCDRJPFZKMO-OAHLLOKOSA-N 429.929 3.705 0 40 IHAB Cc1ccccc1C(=O)N[C@@H](C(=O)Nc1cc2c(cc1Br)OCCO2)C(C)C 25922235 MUVQHDZPKWRJIX-LJQANCHMSA-N 447.329 3.922 0 40 IHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 30848176 SVAMWMALKVIURS-OAQYLSRUSA-N 441.509 3.687 0 40 IHAB Cc1ccccc1NC(=O)C[C@]12CSc3[nH]c(=O)sc3[C@@H]1c1ccccc1OC2=O 32594564 HQSKUCXEUMWHEF-JTSKRJEESA-N 438.530 3.917 0 40 IHAB CC(=O)NCc1ccc(S(=O)(=O)N2CCc3sccc3[C@H]2c2ccccc2)s1 32811116 XJRBRPOLJVIRFO-HXUWFJFHSA-N 432.592 3.782 0 40 IHAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 36708434 JGENJBHFHQNCIC-FQEVSTJZSA-N 435.549 3.612 0 40 IHAB Cc1ccc(-c2nc(C)c(C(=O)Nc3cc(N4CCCS4(=O)=O)ccc3O)s2)o1 40150132 WDZXYBXVVAMOOA-UHFFFAOYSA-N 433.511 3.518 0 40 IHAB COc1ccc(Nc2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccc(C(C)C)cc2)CC(=O)N3)cc1 40399868 QDUGNUWENSZEBU-GOSISDBHSA-N 447.495 3.710 0 40 IHAB COc1ccc(CCS(=O)(=O)NCC2CCN(Cc3ccccc3SC)CC2)cc1 43959658 KJTSQTJIWOPBBT-UHFFFAOYSA-N 448.654 3.791 0 40 IHAB Cc1ccc(N2CN(CC(=O)Nc3cccc(C)c3C)S(=O)(=O)c3cccnc32)cc1 49411467 ZKUFYHAFNRKZCK-UHFFFAOYSA-N 436.537 3.745 0 40 IHAB Cc1cc(=O)n(CC(=O)Nc2ccc(Br)cc2F)c(-c2ccc(F)cc2)n1 57477869 MILPVAUSICMPSX-UHFFFAOYSA-N 434.240 3.898 0 40 IHAB Cc1cc(C(=O)CN(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)c(C)n1Cc1cccs1 58160825 ZMRVRXFLLKKZJM-SFHVURJKSA-N 446.594 3.680 0 40 IHAB COc1ccc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Br)cc2)c(OC)c1 58305320 STDIQSLQFSQGED-UHFFFAOYSA-N 442.331 3.657 0 40 IHAB COc1cc(/C=C/C(=O)NCCC(=O)O)cc(Br)c1OCc1ccccc1 62715009 QLFYGOQPKRKZCO-BQYQJAHWSA-N 434.286 3.641 0 40 IHAB CCOC(=O)c1ccn(-c2cccc(NC(=O)N(Cc3cccnc3)C[C@H]3CCCO3)c2)n1 70004680 XVGIXYNKZTWNLL-OAQYLSRUSA-N 449.511 3.657 0 40 IHAB NC(=O)c1cc2c([nH]c1=O)CCC[C@@H]2NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 70014875 MCIRFUDRBMVJMO-INIZCTEOSA-N 445.397 3.560 0 40 IHAB O=S(=O)(NC[C@H](O)c1ccc(C(F)(F)F)cc1)c1ccc(OC(F)(F)F)cc1 70640158 OCWPNMVRTVJNHA-AWEZNQCLSA-N 429.338 3.616 0 40 IHAB Cc1cnccc1-c1cnc(N(C)C)nc1[C@H]1CCCCN1C(=O)CCc1ccncc1 72341489 MNIDOJDTMNPZHD-JOCHJYFZSA-N 430.556 3.994 0 40 IHAB CC(=O)N1CCC[C@@H](c2ccccc2CC2(C(N)=O)CCN(C3CCCCC3)CC2)C1 72372437 KZOVPQFKRUHESJ-JOCHJYFZSA-N 425.617 3.855 0 40 IHAB COC(=O)c1cc(C(=O)N[C@@H](C)c2ccc(-n3nc(C)cc3C)cc2)n(-c2ccccc2)n1 78994054 CIYCTADUNGQRFV-SFHVURJKSA-N 443.507 3.952 0 40 IHAB CCCC(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@H]1c1ccc(OC)cc1OC 79112461 WUTAGKJWEZSZRZ-FQEVSTJZSA-N 445.541 3.553 0 40 IHAB COC(=O)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCCC2 79483344 GEFLJGWIINQKOG-QFIPXVFZSA-N 426.557 3.941 0 40 IHAB Cc1ccc(OC2CCN(C(=O)[C@H](NC(=O)c3ccc(Cl)cc3)C(C)C)CC2)nc1 95464895 OGOYTJMJQWCEGG-OAQYLSRUSA-N 429.948 3.868 0 40 IHAB COc1cc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3[C@@H]2CCOC(C)(C)C2)cc2c1OCO2 96117798 HXXFTKCCJGSVND-ACJLOTCBSA-N 431.514 3.930 0 40 IHAB C[C@H](OC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1)C(=O)c1ccccc1 100749697 HLKNOIIRDSUWSK-WYFKROFDSA-N 441.483 3.672 0 40 IHAB O=C([C@H]1CN(Cc2ccccc2)CCO1)N(CC(F)(F)F)[C@H]1CCCc2cccnc21 108165098 ZINAICWIEJTJBY-VQTJNVASSA-N 433.474 3.751 0 40 IHAB CC[C@@H](C(=O)N[C@@H](C)COc1ccc(C)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 219108606 FQLNJRIRUTVZEW-JXFKEZNVSA-N 438.977 3.777 0 40 IHAB CCOc1ccc(CCCNC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)cc1 222562190 QZUOXQKXRCHVKN-UHFFFAOYSA-N 432.586 3.689 0 40 IHAB COc1ccc(N(C)C(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)cc(C)cc3C)C2)cc1 222565942 IQVAVHFJJWPWRW-IBGZPJMESA-N 430.570 3.684 0 40 IHAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 223832586 FRFUFUHAGNSBSG-UXHICEINSA-N 446.569 3.658 0 40 IHAB CCOc1cccc(CNS(=O)(=O)c2ccc(SC)c(C(=O)N3CCCCC3)c2)c1 223854621 YVERTGPIJNHJAG-UHFFFAOYSA-N 448.610 3.912 0 40 IHAB COC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(Br)cc1 224732095 KGYXOCSLSHKHPF-UHFFFAOYSA-N 432.723 3.779 0 40 IHAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)Cc1ccc(OC)cc1 225567902 WPMODYUBMYWORQ-RUZDIDTESA-N 430.548 3.932 0 40 IHAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](OCC[C@@H](O)CN1CCN(Cc3ccc4c(c3)OCO4)CC1)C2 230111397 ICIPEATVNUOASK-MIUUGJTFSA-N 444.616 3.515 0 40 IHAB CC1(C)CN(C(=O)c2ccccc2F)C[C@@H]2CN(C(=O)c3ccc(Cl)cc3)CCN21 253407852 WVDRLODHXUPXKV-SFHVURJKSA-N 429.923 3.540 0 40 IHAB biogenic,in-vitro COc1ccc(C2(C(=O)N3CCOC[C@H](Cc4ccc5nccn5c4)C3)CCCC2)cc1 257251686 JRTGKUIRMYVICB-OAQYLSRUSA-N 433.552 3.872 0 40 IHAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCC3=CCCCC3)Oc3ccccc32)cc1 260854546 ZNNYZWVHNJJZEI-JOCHJYFZSA-N 426.538 3.568 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCSCc3cccc(C)c3)C2)cc1 260905829 SRELOTVGWUBLPJ-NRFANRHFSA-N 446.638 3.754 0 40 IHAB CC(C)n1nccc1[C@@H]1CN(C(c2ccccc2)c2ccccc2)C[C@@]12OCCN(C)C2=O 306131209 JYPSHEJIKUOVIO-WNCULLNHSA-N 444.579 3.880 0 40 IHAB COc1cccc(-c2ccc3nc([C@@H]4CCCN(C(=O)c5cnc(C)cn5)C4)nn3c2)c1 306143122 XTRGMSFGEIQDMP-LJQANCHMSA-N 428.496 3.523 0 40 IHAB CCCOC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccccc2)cc1 408660043 KQPRWERJHSCDKW-UHFFFAOYSA-N 426.469 3.544 0 40 IHAB COc1cc(/C=c2\sc3nc4c(C)c(C)ccc4n3c2=O)cc(Cl)c1OC(C)=O 408976282 QIIWDILGBJYARQ-MFOYZWKCSA-N 428.897 3.661 0 40 IHAB Cc1c(Cl)cccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(OC(C)C)cc2)C1 409134350 NXTKJYVUEGNVGI-MRXNPFEDSA-N 444.915 3.970 0 40 IHAB CCOc1cc(Br)cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c1O 409229568 REKQZJSKCLMEIE-CXUHLZMHSA-N 431.286 3.955 0 40 IHAB CN1CCCN(S(=O)(=O)c2cccc(NCc3cc(F)cc(C(F)(F)F)c3)c2)CC1 512604513 LKGSYBQTYLCCQP-UHFFFAOYSA-N 445.482 3.783 0 40 IHAB CC(=O)N1CCCN(C)CCN(C(=O)c2ccc3nc(C)c(C)nc3c2)Cc2ccccc21 643553946 GYKIPFPXFYMMEY-UHFFFAOYSA-N 445.567 3.577 0 40 IHAB COCCNC(=O)CSc1ccccc1C(=O)Nc1ccn([C@H](C)c2ccccc2)n1 675391207 USNOSMYVQUMKEA-QGZVFWFLSA-N 438.553 3.599 0 40 IHAB COCCCN(C[C@H]1CCCN2CCCC[C@@H]12)C(=O)Nc1ccc2c(c1)OCCCO2 1565519529 CKPCHMPNXHWMDV-CTNGQTDRSA-N 431.577 3.983 0 40 IHAB biogenic CC[C@@H]1CN(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](CO)[C@@H]1CN1CCC(F)(F)C1 1772594927 HLYQYTFBRBNUSD-KBRIMQKVSA-N 435.437 3.897 0 40 IHAB O=C(Cn1nnc2sc3c(c2c1=O)CCCC3)Nc1ccc(OCc2ccccc2)cc1 1331975 NKVYRQWPIWHZFL-UHFFFAOYSA-N 446.532 3.950 0 40 IHAB CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C(=O)OCC)cc2)cc1 1508593 CFWYQTWGLUNCOX-UHFFFAOYSA-N 432.542 3.926 0 40 IHAB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N(C)Cc2cccs2)cc1 3402405 ZKYNTNDETTUQIU-UHFFFAOYSA-N 430.551 3.854 0 40 IHAB Cc1ccc(C(=O)N[C@H](C(=O)OCc2cc(=O)n3c(n2)sc2ccccc23)C(C)C)cc1 3450705 OMRLTROOJATYJJ-NRFANRHFSA-N 449.532 3.715 0 40 IHAB aggregator CCCCc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(OCC)cc3)CC2=O)cc1 8717801 IXGURDVWMVEHMI-IBGZPJMESA-N 438.524 3.963 0 40 IHAB CC(C)n1c(SCC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)nc2ccccc21 9112955 BMAFDIORWKKOGS-SFHVURJKSA-N 443.594 3.930 0 40 IHAB O=C(Nc1nc2c(s1)CC[C@H]2C(=O)Nc1ccc2c(c1)OCCO2)c1ccc(F)cc1 9131650 KRXIDSYYSTVFKB-OAHLLOKOSA-N 439.468 3.974 0 40 IHAB O=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1cc(F)c(F)c(F)c1F 9141590 ZOKCWQQECXLIPZ-UHFFFAOYSA-N 428.363 3.567 0 40 IHAB CCc1nnc2n1N[C@@H](c1ccc(OC)c(Cl)c1)[C@@H](C(=O)Nc1ccccc1)S2 9239186 BAFYILCVGZJUAD-ROUUACIJSA-N 429.933 3.900 0 40 IHAB Nn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1cc(-c2ccc(Cl)cc2)[nH]n1 9330956 WDSZQFHTOISCLJ-UHFFFAOYSA-N 443.895 3.572 0 40 IHAB COc1ccccc1-c1nnc(SCC(=O)N2C[C@@H](C)O[C@H](C)C2)n1-c1ccccc1 9377725 IGNYINFSYXSBFR-IAGOWNOFSA-N 438.553 3.671 0 40 IHAB COc1ccc(CN2C(=O)[C@](NC(=O)CCC3CCCCC3)(C(F)(F)F)N=C2O)cc1 9420589 BORVPKAGAOXGRF-HXUWFJFHSA-N 441.450 3.687 0 40 IHAB O=C(COc1ccc2c3c(c(=O)oc2c1)CCCC3)NC1CCN(Cc2ccccc2)CC1 9448522 QGAVQLAMGNIPJH-UHFFFAOYSA-N 446.547 3.831 0 40 IHAB Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]2[C@@H]2CCCN21 9498568 WFAMEJVXXNEJOG-XVIHEJCXSA-N 449.938 3.696 0 40 IHAB C[C@@H](Sc1nnc(NCc2ccco2)s1)C(=O)N1CCN(c2ccccc2)CC1 9606670 IUKXDIDOCWECHC-OAHLLOKOSA-N 429.571 3.573 0 40 IHAB O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)Nc1ccc2c(c1)OCCCO2 9665368 BCBBUBHIZMXASI-UHFFFAOYSA-N 439.518 3.987 0 40 IHAB O=C(NCCc1ccc(Cl)cc1)C(=O)NC[C@@H](c1ccco1)N1CCc2ccccc21 9708127 ZZQZMIOVOSRIQP-NRFANRHFSA-N 437.927 3.512 0 40 IHAB CCS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3ccc(Br)o3)cc2)nn1 9787081 DJAZZQJULYRVMH-UHFFFAOYSA-N 436.287 3.545 0 40 IHAB Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)N2CCc3ccccc3C2)cc1 10077880 RWHZYOMXWBRRKX-UHFFFAOYSA-N 436.533 3.760 0 40 IHAB CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](c3ccccc3)C3CC3)CC2)c1 11214559 VXSSPCGSKUJHNR-QHCPKHFHSA-N 440.565 3.557 0 40 IHAB O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)N[C@@H]1CCSc2ccccc21 12587365 NLUQMDBQDRSFOR-CQSZACIVSA-N 427.507 3.911 0 40 IHAB CN(CC(=O)NC1CCN(Cc2ccccc2)CC1)Cc1ccccc1N1CCCCC1 12593625 SSWPEQOJLXGFMR-UHFFFAOYSA-N 434.628 3.890 0 40 IHAB CC(C)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NC1CC(C)(C)NC(C)(C)C1 12734548 YQBRHXLPKRPNGB-OAQYLSRUSA-N 445.629 3.568 0 40 IHAB Cc1ccc(OCc2nc(CC(=O)Nc3cc(S(C)(=O)=O)ccc3F)cs2)cc1 12758046 MIZFAQOFZARYRP-UHFFFAOYSA-N 434.514 3.754 0 40 IHAB COc1ccc(OC[C@@H](O)Cn2cnc3scc(-c4ccc(F)cc4)c3c2=O)cc1 12761692 VXKXIRRLGIUTFV-INIZCTEOSA-N 426.469 3.713 0 40 IHAB CCN(Cc1ccc(Br)s1)C(=O)Cn1nnc(-c2cccc(Cl)c2)n1 12879477 TTWDEWVQRRKLHY-UHFFFAOYSA-N 440.754 3.866 0 40 IHAB CCOc1cc(C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)cc(Br)c1OC 12974085 PCEDKNCTIPGTSR-CYBMUJFWSA-N 445.317 3.928 0 40 IHAB NC1=NC(SCC(=O)Nc2ccc3ccccc3c2)=N[C@@H](c2c[nH]c3ccccc23)N1 13579221 LJSAENCNJDTWOT-NRFANRHFSA-N 428.521 3.966 0 40 IHAB O=C(O)c1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2ON1c1ccccc1 13787371 QWLMNNQHHRXDKQ-PWRODBHTSA-N 432.407 3.575 0 40 IHAB COc1ccc(NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)c(OC)c1 15398164 RPFCUOAOBBYARB-UHFFFAOYSA-N 440.521 3.846 0 40 IHAB CC(C)(C)c1ccc(-c2cc(C[C@H]3CNCC[C@H]3CC(=O)N3CCOCC3)no2)cc1 15673741 RQIXJMZLOUIUMV-PMACEKPBSA-N 425.573 3.656 0 40 IHAB biogenic,in-vitro C[C@@H](NC(=O)CCCSc1nc2ccccc2s1)c1ccc(S(N)(=O)=O)cc1 16046251 KRAODQSKMTWWES-CYBMUJFWSA-N 435.596 3.693 0 40 IHAB COc1cn(CC(=O)Nc2cc(C)cc(C)c2)c(CSc2nc(C)cc(C)n2)cc1=O 17010751 ZPJNOEIIEUWERP-UHFFFAOYSA-N 438.553 3.812 0 40 IHAB O=C(c1ccc(F)cc1)N1CCc2nc([C@H]3CCCN3C[C@H]3CC=CCC3)[nH]c(=O)c2C1 19332102 YGXGUXDMZNXTPE-HTAPYJJXSA-N 436.531 3.601 0 40 IHAB O=C(CN1CCC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCC[C@@H](c2ccccc2)C1 19369942 PUBIPHYXRHOIBJ-DHIUTWEWSA-N 448.611 3.555 0 40 IHAB CC(C)Cc1cc(C(=O)NC2CCN(c3ncc(-c4ccncc4)c(C(C)C)n3)CC2)[nH]n1 19447431 GYCJGZGKNQDVOV-UHFFFAOYSA-N 447.587 3.982 0 40 IHAB COc1cc2cc(N)c([C@@H]3CCCN(C(=O)[C@@H]4CCC[C@@H](OC)C4)C3)nc2cc1OC 19550960 AESDUXIGKNVNSE-JFIYKMOQSA-N 427.545 3.745 0 40 IHAB Cc1nc(CN(C)Cc2c(C)nc3ccccn23)nc2c1CCC(=O)N2Cc1ccccc1 19698585 MDXCREXHTJOMSX-UHFFFAOYSA-N 440.551 3.853 0 40 IHAB Cc1nc(C2CCN(Cc3c(-c4ccccc4)nn(C)c3C)CC2)nc2c1CCC(=O)N2C 19739326 LDWOVSHMWCPAFL-UHFFFAOYSA-N 444.583 3.783 0 40 IHAB CNc1nc([C@@H]2CCCN2C(C)=O)nc2c1CCN(Cc1c(C)cc(OC)c(C)c1C)C2 19752883 LQUMSNJVMCLQAQ-QFIPXVFZSA-N 437.588 3.694 0 40 IHAB CN(C)CCNC[C@H](O)CN1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@@H]31 19804912 HJMXAOVPXYXKMS-NVQXNPDNSA-N 438.660 3.894 0 40 IHAB CCN(c1cc(OC)c(OC)cc1C(=O)Nc1cccc(Cl)c1C)S(C)(=O)=O 22251943 ZKSMZLDUNOFXDI-UHFFFAOYSA-N 426.922 3.704 0 40 IHAB CCOC(=O)c1oc2ccccc2c1COC(=O)[C@H](C)N1C(=O)c2ccc(C)cc2C1=O 22520105 LCTAJNPQEVLOHJ-AWEZNQCLSA-N 435.432 3.646 0 40 IHAB COc1ccc(CN2CCN(CC(=O)N3CC[C@H](C)Sc4ccccc43)CC2)cc1 22810277 NHOICLAGYRZMSI-IBGZPJMESA-N 425.598 3.730 0 40 IHAB Cc1ccc(S(=O)(=O)NCCC(=O)N[C@@H](C)c2ccc(C(F)(F)F)cc2)cc1C 29239075 LPLADOACIFQCDY-HNNXBMFYSA-N 428.476 3.868 0 40 IHAB C[C@H](Sc1nnnn1C[C@H]1CCCO1)C(=O)N(Cc1ccccc1)Cc1ccccc1 30346745 MAXCGLYJCQQCMP-GHTZIAJQSA-N 437.569 3.562 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(Cn2ccnc2)cc1 30939412 CXHLADVLPFOSAJ-UHFFFAOYSA-N 438.553 3.748 0 40 IHAB CCN(CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)[C@@H](C)c1cccc(OC)c1 32927254 PIUZWMQHNOXRQS-AWEZNQCLSA-N 426.485 3.713 0 40 IHAB O=C(Cc1csc(Cc2cccc(Cl)c2)n1)Nc1ccc(N2CCOCC2)nc1 33163791 HZWWRFRERGXPOF-UHFFFAOYSA-N 428.945 3.800 0 40 IHAB COc1ccc(Cl)cc1/C=C1\SC(=O)N(CC(=O)N2CCc3ccccc3C2)C1=O 33451633 DLZQKBWWVWOLBH-ODLFYWEKSA-N 442.924 3.970 0 40 IHAB CCN(CC)C(=O)CSc1nc2ccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)cc2s1 33776321 WPDPAASOWKBDSX-GASCZTMLSA-N 431.583 3.936 0 40 IHAB O=C(CN1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1)N1CCCCCC1 35279057 BEYPJBHFNCRIIR-UHFFFAOYSA-N 429.948 3.760 0 40 IHAB COC(=O)c1cn(CC(=O)N(C)Cc2nc3ccccc3n2C(F)F)c2ccccc12 36395230 SJVIWCRTBSRVPK-UHFFFAOYSA-N 426.423 3.831 0 40 IHAB CCOc1cc(CNC23CC4CC(CC(C4)C2)C3)c(Br)cc1OCC(N)=O 36612887 ARQHFEGOEYHMNG-UHFFFAOYSA-N 437.378 3.770 0 40 IHAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 58194355 REMZBZSSXSWNJP-PXAZEXFGSA-N 431.514 3.603 0 40 IHAB C[C@@H](C(=O)c1ccc2c(c1)CCC2)n1nnc(-c2ccccc2I)n1 58369307 RKJOIDOYYUKLLZ-LBPRGKRZSA-N 444.276 3.877 0 40 IHAB O=C1C[C@@H](C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)CN1Cc1ccccc1 60390595 YHCNIUXMGJDCHT-MOPGFXCFSA-N 435.549 3.857 0 40 IHAB C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCN(c5cccc(Cl)c5)CC4)[C@H]3[C@@H](O)[C@@]21C 61992820 HXHILYRRLVJUGI-MGPYLOASSA-N 445.003 3.747 0 40 IHAB biogenic CCOC(=O)N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc4c(c3)OCCO4)=NN12 67172417 ZOMBCUNDSQMNQA-FQEVSTJZSA-N 449.507 3.950 0 40 IHAB CCOc1ccc(CNC(=O)c2nnn(-c3cccc(OC)c3)c2-c2ccncc2)cc1 67261755 ZRPRIOZYXSTZPB-UHFFFAOYSA-N 429.480 3.667 0 40 IHAB COc1cc2c(cc1OC)[C@H]1c3ccccc3N(CC(=O)N3CCCCCC3)C(=O)N1CC2 72342054 GTHLYALFAJLBPL-RUZDIDTESA-N 449.551 3.994 0 40 IHAB O=C(c1cccs1)N1CCc2nc(C3CCN(CC4CCCCC4)CC3)[nH]c(=O)c2C1 72398983 BSFLTOQUOSFNFB-UHFFFAOYSA-N 440.613 3.790 0 40 IHAB COc1c(Br)cc(Br)cc1CN1CCC[C@@H](CNC(C)=O)C1 95430360 BICBUQMNVQECSQ-LBPRGKRZSA-N 434.172 3.568 0 40 IHAB CCS(=O)(=O)C(Br)(Br)[C@@H](O)c1ccc(Cl)cc1Cl 96520916 YUVFXLOHBPCQQU-VIFPVBQESA-N 440.968 3.905 0 40 IHAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccccc3)N2S(=O)(=O)c2ccc(C)cc2)cc1 98086473 KONAWPLBZBEDLR-ZVTBYLAHSA-N 427.547 3.849 0 40 IHAB CC(=O)c1cccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)C(=O)c2ccccc2)c1 100395602 MTRDJRREEWGBFT-ISGSKPSGSA-N 440.499 3.547 0 40 IHAB Cc1cccc(NC(=O)CSc2nnc(Cc3ccc4c(c3)OCCCO4)n2C)c1C 101160909 LAICHFGQFGCDCX-UHFFFAOYSA-N 438.553 3.915 0 40 IHAB CSc1cccc(N(CC(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)S(C)(=O)=O)c1 220075185 YTXSRTMKTCDBDH-LJQANCHMSA-N 448.610 3.902 0 40 IHAB C[C@@H]1Cc2ccccc2N1C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 222713386 XZXVHGGCAOHXAY-MRXNPFEDSA-N 440.496 3.983 0 40 IHAB CC[C@@H](NC(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O)c1ccc2c(c1)CCCC2 223039381 HZXHLGFFSCTGOX-OAQYLSRUSA-N 444.597 3.916 0 40 IHAB C[C@@H](COc1ccccc1)NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 223970173 OAKKBYONPOQXIQ-INIZCTEOSA-N 428.485 3.824 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3F)cc2)cc1OC 223990467 JKSCRJOCFHZXCY-UHFFFAOYSA-N 430.457 3.896 0 40 IHAB CCCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)COc1ccccc1OC 224032467 JFMRTUYCLKGOEJ-OAQYLSRUSA-N 426.557 3.840 0 40 IHAB CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCCOc1ccc(OC)cc1 224381032 DWWUOWBRMBFHPG-JOCHJYFZSA-N 430.520 3.937 0 40 IHAB COc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3cc(OC)cc(OC)c3)cc2)c1 224541381 NLYLNTPOBQCNJO-UHFFFAOYSA-N 442.493 3.766 0 40 IHAB CCOC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 224813189 VCTPZRRQGAUBQV-UHFFFAOYSA-N 448.324 3.769 0 40 IHAB CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]4[C@@H](OC(C)=O)CC(=O)[C@]4(C)CC[C@H]3[C@@]2(C)[C@H](OC(C)=O)C1 257348502 GJEJASFBAXHMOD-FCXZFVHOSA-N 448.556 3.613 0 40 IHAB COc1ccc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)cc1I 408611320 TWOTYVIMSGMRDQ-UHFFFAOYSA-N 447.338 3.547 0 40 IHAB COc1ccc(OC)c(NC(=O)c2cccc(N3C(=O)[C@@H]4[C@@H]5C[C@H](C=C5C)[C@H]4C3=O)c2)c1 408667535 BIIFOIORBFXGDT-UKYAFMKFSA-N 432.476 3.658 0 40 IHAB CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccncc3)cc2)cc1 408701765 FJYXAPZCPYBFCZ-UHFFFAOYSA-N 427.551 3.559 0 40 IHAB COc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCC(=O)O 409099609 RGVSGRISCWBZPF-MKMNVTDBSA-N 437.235 3.563 0 40 IHAB CCCCCNC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 409261263 CBZQESJAMKWAIG-UHFFFAOYSA-N 439.375 3.951 0 40 IHAB Cc1ccc(N2C(=O)[C@@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)C2=O)c(C)c1 409297591 KZLSIMAQLUPHJJ-VXKWHMMOSA-N 443.455 3.628 0 40 IHAB COc1cccc(-c2ccc3c(c2)O[C@H]2CN(C(=O)c4ccccc4F)C[C@H]2N(C)C3=O)c1 514290350 YEEPTTNVCSICPW-VWNXMTODSA-N 446.478 3.859 0 40 IHAB biogenic,in-vitro CC(=O)c1cccc(OCC(=O)N[C@H](Cc2ccc(O)cc2)c2nc3ccccc3[nH]2)c1 534289799 RANKSMZGTGFSML-HSZRJFAPSA-N 429.476 3.950 0 40 IHAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(-c2ccccn2)n1Cc1ccccc1 579300944 BDWUSDMSERSXKG-GOSISDBHSA-N 447.564 3.989 0 40 IHAB CC(C)Cn1nc(C(=O)NC[C@H]2CCN(c3ccc(Cl)cc3)C2)c2ccccc2c1=O 620608814 NFHUMZFPTDNPEX-QGZVFWFLSA-N 438.959 3.962 0 40 IHAB CCCn1ccc(C(=O)N2CCN(C)CCCN(C(=O)CC(C)C)c3ccccc3C2)n1 643554603 MHRUJHZNRDIFBU-UHFFFAOYSA-N 439.604 3.650 0 40 IHAB CS(=O)(=O)N1CCC(c2nnc3sc(-c4cccc5c(Cl)cccc45)nn23)CC1 1505838426 FMCTVFBSSXAKET-UHFFFAOYSA-N 447.973 3.798 0 40 IHAB COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)[C@H]1CC(c2ccccn2)=NO1 1544716668 YDJJNKMCZDVKHH-PKOBYXMFSA-N 430.302 3.709 0 40 IHAB COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Oc1cccc(Cl)c1Cl)c1ccccc1 1652703503 ZFWNCXHEUIAMQE-APWZRJJASA-N 448.306 3.737 0 40 IHAB O=C(NCc1ccco1)c1cnn2c1N[C@H](c1ccc3c(c1)OCO3)C[C@H]2C(F)(F)F 866769 KIYSQZRIOAZPBL-YOEHRIQHSA-N 434.374 3.795 0 40 IHAB COc1cccc(NC(=O)N(Cc2cc3ccc(C)cc3n3nnnc23)C[C@@H]2CCCO2)c1 1367311 QRJPSSFBTVAZCJ-NRFANRHFSA-N 446.511 3.808 0 40 IHAB O=C(C[C@H]1C(=O)N(c2ccccc2)C(=S)N1Cc1ccccn1)Nc1ccc(F)cc1 1442537 XRWDFUVZLQVTQJ-FQEVSTJZSA-N 434.496 3.752 0 40 IHAB COCCOC(=O)c1c(C)oc2cc(Br)c(OCC(=O)OC(C)C)cc12 1757614 UBFFJVIQTQPJQC-UHFFFAOYSA-N 429.263 3.637 0 40 IHAB biogenic COC(=O)[C@](O)(c1ccc(NC(=O)Nc2ccc(Cl)cc2)c(OC)c1)C(F)(F)F 2276052 VVGWFFQNUYUDJT-QGZVFWFLSA-N 432.782 3.916 0 40 IHAB Cc1cccc(N(CC(=O)Nc2ccc3c(c2)OCO3)S(=O)(=O)c2ccccc2)c1C 8662350 ZEYQXWKZMLDVSK-UHFFFAOYSA-N 438.505 3.866 0 40 IHAB C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)C(=O)Nc1ccc(C(N)=O)cc1 8752982 PIUJBBWUTFICLA-CYBMUJFWSA-N 446.536 3.980 0 40 IHAB CCOc1ccc([C@@H]2[C@H](C(=O)OCC(C)C)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OCC(C)C)cc1 8913930 LQEIJWJNUWOURT-ILSIFQBBSA-N 448.556 3.524 0 40 IHAB Cc1cc(C)cc(-n2c(-c3ccc(Cl)cc3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)c1 9087625 GOGCCDSUQGRDTR-UHFFFAOYSA-N 433.899 3.613 0 40 IHAB Cn1c(CC(=O)Nc2ccccc2F)nnc1SCC(=O)c1cn(C)c2ccccc12 9095936 CCMAOOWLDIESMY-UHFFFAOYSA-N 437.500 3.602 0 40 IHAB Cc1cc(O[C@@H](C)C(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)ccc1Cl 9291305 MSFNKZKSAFAYQP-GJZGRUSLSA-N 427.975 3.693 0 40 IHAB C[C@H](CCc1ccccc1)NC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccccc1F 9317916 GNVSDWDEHAQREK-GOSISDBHSA-N 444.528 3.747 0 40 IHAB O=C(CSc1nnc(NC(=O)c2c(F)cccc2Cl)s1)Nc1nccs1 9368147 HNBWZIVIXIQHGJ-UHFFFAOYSA-N 429.911 3.770 0 40 IHAB COc1ccc(-n2nc3c(c2NC(=O)Cc2ccc(OC)c(OC)c2)CSC3)cc1 9390979 FBDXOMDAXLKUGD-UHFFFAOYSA-N 425.510 3.826 0 40 IHAB CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@]2(S1)SC(C(=O)OCC)=C(C)N2C 9430977 OGLBNNQYUPLBEW-SFHVURJKSA-N 441.962 3.854 0 40 IHAB O=C(COC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)Nc1c(Cl)cccc1Cl 9461812 SUDLDCRITRAMGP-UHFFFAOYSA-N 438.235 3.785 0 40 IHAB O=C(c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1)N1CC[C@@H]2CCCC[C@@H]2C1 9468057 IXQGWDLNQKEAQI-FUHWJXTLSA-N 442.537 3.868 0 40 IHAB CN(C)S(=O)(=O)c1ccc2nc(NC(=O)c3cccc(C(F)(F)F)c3)sc2c1 9472113 RLOPFNVQTFKFSJ-UHFFFAOYSA-N 429.445 3.818 0 40 IHAB Cc1ccc(CNC(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)n1C 9513558 YYBNVCKUYOEHIJ-UHFFFAOYSA-N 435.908 3.857 0 40 IHAB Cc1ccc(N2C(=O)CC[C@H](C(=O)OCC(=O)NCC(C)C)[C@@H]2c2cccs2)cc1 9603099 DLCQAZMDBKNTND-PGRDOPGGSA-N 428.554 3.856 0 40 IHAB CS(=O)(=O)N1CCCc2cc(C(=O)COc3ccc(C(=O)c4ccccc4)cc3)ccc21 9666763 AUMFSFOUPZIQCI-UHFFFAOYSA-N 449.528 3.892 0 40 IHAB COc1cc(NC(=O)C2=C(C)Nc3nnnn3[C@@H]2c2ccc(C)cc2)c(OC)cc1Cl 9668286 QFWUBEWPVRVCOX-LJQANCHMSA-N 440.891 3.580 0 40 IHAB C[C@@H]1CCN(C(=O)CN2C(=O)N[C@](C)(c3cc(F)ccc3F)C2=O)c2ccccc2S1 9910327 MFAKDDTYHHXEGJ-MCMMXHMISA-N 445.491 3.649 0 40 IHAB CC(Nc1ccc(Sc2ccc(Br)cc2)cc1)=C1C(=O)NC(=O)NC1=O 9983331 LPAUHEJOYLWOMN-UHFFFAOYSA-N 432.299 3.652 0 40 IHAB COc1cccc2sc(NC(=O)C3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)nc12 10337542 KEIKEKFBTXZFKK-UHFFFAOYSA-N 445.566 3.653 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc4c(C)cccc4s3)CC2)cc1 10337645 NRFIBHICLOZUDA-UHFFFAOYSA-N 445.566 3.653 0 40 IHAB COc1cc(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc(Cl)c1OCC(N)=O 10372560 LYOHOIDCKHTEAZ-OAHLLOKOSA-N 445.928 3.800 0 40 IHAB COc1ccc(N(CC(=O)N2CCC[C@@H](C)C2)S(=O)(=O)c2ccccc2)cc1Cl 10541174 NDDRZHCAXKMPQY-MRXNPFEDSA-N 436.961 3.802 0 40 IHAB CS(=O)(=O)Nc1cccc(CNC(=O)c2cn(Cc3ccccc3)c3ccccc23)c1 10548901 OAAOXENKPQYUGC-UHFFFAOYSA-N 433.533 3.991 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(CCc3ccc(C)cc3)CC2)cc1NC(C)=O 10672192 XMXVKOHLVQHPGG-UHFFFAOYSA-N 430.570 3.996 0 40 IHAB COc1cc(NC(=O)[C@H]2CC(=O)N(c3cccc(SC)c3)C2)ccc1N1CCCC1=O 11447273 ISLIIXHQKGTFJH-HNNXBMFYSA-N 439.537 3.536 0 40 IHAB C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1nc2cc3c(cc2s1)OCCO3 11752383 IMNVYJMNLFSBGF-LLDWYLAQSA-N 441.553 3.727 0 40 IHAB Cc1ccc(NC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)c(Cl)c1 11770045 NVMYURVGBNGHHB-UHFFFAOYSA-N 438.841 3.960 0 40 IHAB CC(C)Cn1c(N2CCN(C(=O)C(C)(C)C)CC2)nc2sc3c(c2c1=O)CCCC3 12391902 NQLSUMVGUASXOL-UHFFFAOYSA-N 430.618 3.688 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCCN(C)c2ccccc2)c1 12608581 HKQQWWLBXNBBOL-UHFFFAOYSA-N 437.993 3.627 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)Cc2ccccc2C)c1 12764694 BIQBVIORYIWTJJ-UHFFFAOYSA-N 429.586 3.807 0 40 IHAB CS(=O)(=O)N1CCC(C(=O)Nc2ccc(-c3cccc(C(F)(F)F)c3)cc2)CC1 12809650 PBDRIZYCSVACTD-UHFFFAOYSA-N 426.460 3.983 0 40 IHAB O=C1OCCN1CCSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCC3 12903381 CURHQVBROFTNJM-UHFFFAOYSA-N 441.578 3.734 0 40 IHAB COc1ccc(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)c(OC)c1OC 12921982 SMLOEJOOQLABDQ-SFHVURJKSA-N 427.497 3.780 0 40 IHAB CCC1(CC)NC(=O)N(CC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)C1=O 13140216 WWJWRLOVZFUTEX-QGZVFWFLSA-N 442.903 3.721 0 40 IHAB COc1ccc([C@H]2CC(=O)c3cc(C(=O)Nc4cc(OC)ccc4OC)c(=O)[nH]c3C2)cc1 13363465 DZXYMXDTJBHBFH-OAHLLOKOSA-N 448.475 3.566 0 40 IHAB CCN(c1ccc(OCC(=O)Nc2ccccc2OC)cc1)S(=O)(=O)c1ccccc1 13584962 KXSMOHITGJJDKW-UHFFFAOYSA-N 440.521 3.928 0 40 IHAB Cn1cc(C(=O)Nc2ccc(Cl)cc2Cl)c2[nH]c(=O)n(-c3ccccc3)c(=O)c21 16837808 QJUNSADXDKJUSR-UHFFFAOYSA-N 429.263 3.577 0 40 IHAB CCOc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1OCC 17319686 NWYYROHJPRYVPF-UHFFFAOYSA-N 447.294 3.889 0 40 IHAB CCNC(=O)[C@@]1(Cc2cccc(-c3ccc(F)cc3)c2)CCN(C(=O)c2ccc(N)nc2)C1 19529006 INDRJPQGCBISQD-AREMUKBSSA-N 446.526 3.681 0 40 IHAB Cc1nc([C@@H]2CCCN2Cc2cnn(C)c2C)nc2c1CCC(=O)N2Cc1ccccc1 19740620 HIWOMBJJZHNXNY-QFIPXVFZSA-N 430.556 3.643 0 40 IHAB Cc1nc([C@H]2CCCN2C(=O)c2scnc2C)ncc1C(=O)Nc1ccc(F)cc1 19755043 ZXWYTFASMXDVFW-QGZVFWFLSA-N 425.489 3.919 0 40 IHAB Cc1ccc([C@H](C)NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3O2)cc1 20461536 RZTBHTLFYBACHM-MBSDFSHPSA-N 436.533 3.829 0 40 IHAB COc1ccc([C@H](CC(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)NC(C)=O)cc1 21395587 BQZAIWLRPGFYAR-KRWDZBQOSA-N 439.493 3.753 0 40 IHAB Fc1ccccc1[C@@H](c1nnnn1Cc1cccs1)N1CCN(Cc2ccccc2)CC1 22929815 ZJOWSOKZVOPDRS-QHCPKHFHSA-N 448.571 3.829 0 40 IHAB Nc1nc(CN2CCN(C(=O)c3ccc(Cl)cc3)CC2)nc2sc3c(c12)CCCC3 23005279 QGNFSKPAEHUBEH-UHFFFAOYSA-N 441.988 3.764 0 40 IHAB CC(C)c1cc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2cnn(C(C)C)c2n1 23934866 PQGNHQHZVGMPCA-UHFFFAOYSA-N 449.555 3.822 0 40 IHAB COc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1C(=O)NCC(C)C 24101925 QIQNTKSHRMUEML-UHFFFAOYSA-N 441.347 3.644 0 40 IHAB C[C@H]1CCCN(Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)C1 30854619 PGSCGGPNZHFDNA-IBGZPJMESA-N 441.597 3.955 0 40 IHAB CCOc1ccc([C@@H](C)NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)cc1OCC 30858634 JETIHNZWPGZMCI-CYBMUJFWSA-N 440.949 4.000 0 40 IHAB COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(OC)c(OC)c2)C12CCCC2 32092295 ADLWNUHSBWHRMT-JOCHJYFZSA-N 438.524 3.841 0 40 IHAB COc1cccc(-n2cnc3cc(C(=O)Nc4ccc(OC)c(OC)c4)ccc3c2=O)c1 32105278 MLHKDUUCHPDAAU-UHFFFAOYSA-N 431.448 3.664 0 40 IHAB Cc1cc(I)cnc1NC(=S)NC(=O)c1cccc(Cl)c1 32125126 RXNRSUPNPLMFSZ-UHFFFAOYSA-N 431.686 3.775 0 40 IHAB COc1cc(-c2noc(-c3nn(-c4ccc(C)c(C)c4)ccc3=O)n2)cc(OC)c1OC 33300400 DPSQREMIYWQWME-UHFFFAOYSA-N 434.452 3.592 0 40 IHAB COc1ccc([C@@H](CC(C)C)NC(=O)CN(c2cccc(C(C)=O)c2)S(C)(=O)=O)cc1 44840118 ISZIMGCSCBBIIK-JOCHJYFZSA-N 446.569 3.567 0 40 IHAB COc1ccc(C(=O)Nc2ccc(-c3noc([C@@H]4CCCN4C4CCOCC4)n3)cn2)cc1 49155255 ZVIKAQWCYQUHFQ-FQEVSTJZSA-N 449.511 3.708 0 40 IHAB biogenic,in-vitro COc1cccc(N2C(=O)C[C@@H](c3ccc(OC)c(OC)c3)c3sc(=O)n(C)c32)c1 49546772 OYEFEZNRSONLPA-INIZCTEOSA-N 426.494 3.673 0 40 IHAB COCCCN1COc2ccc3c(=O)c(Oc4ccc(C(=O)OC)cc4)c(C)oc3c2C1 54313729 KRWKZADZBIALIK-UHFFFAOYSA-N 439.464 3.869 0 40 IHAB biogenic COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CN1CCN(c2ccc(F)cc2)CC1 57050675 MLDPYTZNUDJUHW-UHFFFAOYSA-N 444.894 3.508 0 40 IHAB O=C(NC[C@H]([C@@H]1CCOC1)N1CCOCC1)c1ccccc1-c1ccc(C(F)(F)F)cc1 63089697 NZVHGZKQUNOGJN-XMSQKQJNSA-N 448.485 3.840 0 40 IHAB O=C(Nc1cc(Br)c[nH]c1=O)C1(c2cccc(C(F)(F)F)c2)CCOCC1 95376554 BIVDTQJBPAJWPJ-UHFFFAOYSA-N 445.235 3.843 0 40 IHAB Cc1nc(CNC(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)ccc1[C@H](C)O 95456476 PPJMDNRUWFSHDS-AWEZNQCLSA-N 437.500 3.822 0 40 IHAB CS(=O)(=O)c1ccc(NC(=O)[C@H]2CCCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)cn1 95997632 SSSUOPGVSHLCBU-GJZGRUSLSA-N 432.933 3.927 0 40 IHAB CCN1C[C@@]2(CC1=O)CN(Cc1ccc(C)s1)CCN(C(=O)Nc1ccccc1)C2 97952815 OZAPCCJMLKTHNY-HSZRJFAPSA-N 426.586 3.645 0 40 IHAB COc1ccc(-c2nc([C@H]3CC[C@H](CNC(=O)[C@H]4CC45CCC5)CC3)[nH]c2C(N)=O)cc1 100687890 ZYPCCSSRKTXFAP-HHXXYDBFSA-N 436.556 3.764 0 40 IHAB CCCCOc1ccc(-c2nc3s/c(=C/c4ccc(OC)c(OC)c4)c(=O)n3n2)cc1 102844590 ANKKEVDIFJXPEJ-XSFVSMFZSA-N 437.521 3.562 0 40 IHAB COC(=O)c1ccccc1NC(=O)CSc1nnc(COc2ccc(C)c(C)c2)o1 216030050 JCVDHFBYYDBAEP-UHFFFAOYSA-N 427.482 3.783 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)c3ccccc3)CC2)cc1Cl 222602462 LKOGTXXKIRFDNC-UHFFFAOYSA-N 436.961 3.802 0 40 IHAB COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(Cc2cccnc2)c1C 223041727 OKHAYQWUMZGEPZ-PKTZIBPZSA-N 435.597 3.952 0 40 IHAB CSc1nnc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)s1 223496675 RCIMOXXCWJCMEY-UHFFFAOYSA-N 440.959 3.967 0 40 IHAB COc1ccc(OCC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NCC(C)C)cc1 224208114 JSVXBXODEGXVGB-QGZVFWFLSA-N 432.948 3.917 0 40 IHAB COc1cccc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3C)cc2)c1 224522309 BGJUUPZDDOQPCI-UHFFFAOYSA-N 426.494 3.822 0 40 IHAB CCN1c2ccccc2C(c2ccccc2)=C(C(=O)NCCOc2ccccc2)S1(=O)=O 224569263 OTVIEIOIFDSLAT-UHFFFAOYSA-N 448.544 3.811 0 40 IHAB CC(C)(C)c1cc2nccc([C@H]3CC[C@H](CNC(=O)CCCN4CCCC4=O)CC3)n2n1 257199744 AARFIGHJONTOBR-WGSAOQKQSA-N 439.604 3.819 0 40 IHAB CCC(C)(C)NC(=O)CCc1c(C)nc2cc([C@@H]3CCN(C(=O)C(C)(C)C)C3)nn2c1C 257255314 KHABEBLWRPGABP-GOSISDBHSA-N 441.620 3.946 0 40 IHAB Cn1nc(C(=O)NC[C@H]2CC[C@H](c3n[nH]cc3-c3ccncc3)CC2)cc1C(F)(F)F 257310204 UECWFACDSLXSGH-CTYIDZIISA-N 432.450 3.928 0 40 IHAB O=C(c1cccc2ncccc12)N1CCC[C@@]2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 257321681 WCSLEKBKJIINBB-RUZDIDTESA-N 433.483 3.802 0 40 IHAB CN1c2ccc(NC(=O)c3ccc4noc(-c5ccccc5)c4c3)cc2N(C)S1(=O)=O 390828377 QVJDROJFJVLWBU-UHFFFAOYSA-N 434.477 3.878 0 40 IHAB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cccn3-c3ccc(C)cc3C)C2=O)cc1 409022109 FBLAWKLQEOHLDR-KGENOOAVSA-N 428.492 3.934 0 40 IHAB O=C(NC[C@H]1CC[C@@H]2CN(C(=O)c3cccnc3)c3ccccc3CN12)c1ccsc1 585110081 HBHIWNDLKZGPPR-NHCUHLMSSA-N 432.549 3.567 0 40 IHAB COc1ccc([C@@H]2CN(Cc3ccccc3OCCN3CCCC3)CCN2C(C)=O)cc1 585261970 XAUJWOFZBRXQRK-VWLOTQADSA-N 437.584 3.575 0 40 IHAB C[C@@H](CNC(=O)Nc1ccc2c(c1)C(=O)NC2=O)Sc1ccc(Br)cc1 598052853 FBVMKRDVCYVCQT-JTQLQIEISA-N 434.315 3.635 0 40 IHAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N1CCCc2ccc(S(=O)(=O)N(C)C)cc21 606231727 FOXZWSQGBSGDHP-ZNLUXHQJSA-N 436.618 3.694 0 40 IHAB CC(C)CNC(=O)[C@@H]1[C@H](O)[C@@H](c2ccc(F)cc2)CN1Cc1ccc(Br)cc1 1848356983 QJPDOPQUPDIGKU-QHAWAJNXSA-N 449.364 3.689 0 40 IHAB CC1=C(C(N)=O)[C@H](c2ccc(Br)cc2)N2NC(c3ccccc3Cl)=NC2=N1 940694 XNHMJBLPICGUAS-INIZCTEOSA-N 444.720 3.540 0 40 IHAB COc1ccccc1-c1csc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1 1513009 UFYUMBAINVYGKF-UHFFFAOYSA-N 443.550 3.856 0 40 IHAB Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccccc3Cl)C2=O)c(C)n1C[C@@H]1CCCO1 2664752 WYTJSPIERIQBCY-QMHKHESXSA-N 443.931 3.587 0 40 IHAB Cc1c(-c2cc(C(=O)Nc3cnn(COCC(F)(F)F)c3)c3ccccc3n2)cnn1C 8782442 FWUPIZVKUSUHST-UHFFFAOYSA-N 444.417 3.929 0 40 IHAB CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(Cl)c(Cl)[nH]3)CC2)cc1 8935816 XRSFNZREMNRUIV-ZDUSSCGKSA-N 444.384 3.982 0 40 IHAB Cc1cc(=O)n2c(n1)NC(N1CCN(c3cccc(Cl)c3)CC1)=N[C@H]2[C@H]1CC=CCC1 9265067 MJMOEVWXINZNSO-LAUBAEHRSA-N 438.963 3.664 0 40 IHAB CCOC(=O)CNC(=O)CSc1nnc(-c2ccccc2Cl)n1-c1ccc(C)cc1 9273786 VHSBAFHCTBJGKB-UHFFFAOYSA-N 444.944 3.668 0 40 IHAB COc1cccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cc(C)on2)c1OC 9446619 OEFGLULVQRDXCF-IBGZPJMESA-N 436.395 3.996 0 40 IHAB C[C@H](NC(=O)CN1C(=O)NC(Cc2ccccc2)(Cc2ccccc2)C1=O)c1ccccc1 9497082 GXKWQHZPRTXCLA-FQEVSTJZSA-N 441.531 3.640 0 40 IHAB COc1cccc(C(=O)CSc2nnc([C@H](NC(=O)c3ccccc3)C(C)C)n2C)c1 9582781 BWFJZUYEMDXSQL-HXUWFJFHSA-N 438.553 3.926 0 40 IHAB CCc1ccccc1NC(=O)COC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 9588222 WHGFHNICDQWWJR-UHFFFAOYSA-N 444.553 3.528 0 40 IHAB C[C@@H]1CCc2nc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3cccs3)sc2C1 9663912 UPEUVEYJBVAJIC-TZMCWYRMSA-N 425.601 3.511 0 40 IHAB COc1ccc(C(=O)CN2C(=O)NC(Cc3ccccc3)(Cc3ccccc3)C2=O)cc1F 9691094 KMTSDIOIWRRXHC-UHFFFAOYSA-N 446.478 3.793 0 40 IHAB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1ccc(I)cc1 9709604 ZBINEUVTNFJJCV-UHFFFAOYSA-N 431.237 3.532 0 40 IHAB COc1cc(OC)cc(C(=O)N2c3ccccc3CO[C@]23C(=O)N(C)c2ccccc23)c1 10157772 GDMFAZUNBAXZMD-RUZDIDTESA-N 430.460 3.710 0 40 IHAB CN(Cc1nc2ccccc2s1)C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 10286467 DDBCIOKFCYMRBY-UHFFFAOYSA-N 429.567 3.743 0 40 IHAB CCOC(=O)c1ccc(NCC(=O)Nc2ccc(I)cc2C)cc1 11035154 RGPQVTBBCVFOFD-UHFFFAOYSA-N 438.265 3.827 0 40 IHAB CCc1cc2c(COC(=O)CCC(=O)c3ccc4c(c3)OCCO4)cc(=O)oc2cc1O 11160145 KOXQTIDMEGQSRU-UHFFFAOYSA-N 438.432 3.539 0 40 IHAB COc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc(N(C)C)cc3)o2)c(OC)c1 12552983 SRUJUPKTJOJRTD-ZDUSSCGKSA-N 428.514 3.939 0 40 IHAB O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1cccc(Cl)c1Cl 12585193 RXNVROWCFNWXCO-UHFFFAOYSA-N 443.352 3.586 0 40 IHAB O=C(Nc1cccc(Cl)c1Cl)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 12759969 NDYGTLQFZIINDT-CYBMUJFWSA-N 429.325 3.703 0 40 IHAB O=C(NCCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)c1ccc(Br)o1 12786182 ALWRIUBBKGEQOE-LCYFTJDESA-N 439.262 3.648 0 40 IHAB O=C1NC2=C(C(=O)N(Cc3cccs3)C2)[C@@H](c2ccc(OCc3ccccc3)cc2)N1 12879364 MPHQCMVYFFEJNY-JOCHJYFZSA-N 431.517 3.978 0 40 IHAB COc1ccccc1NC(=O)c1cc2ccccc2cc1OCCN1C(=O)NC(C)(C)C1=O 12950448 NLTNOKXWMRWFSN-UHFFFAOYSA-N 447.491 3.810 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CN[C@H](C)c2cc(C)ccc2C)c1 12999212 FBDFSAZHSPTEKY-GOSISDBHSA-N 447.601 3.632 0 40 IHAB COC[C@@H](C)n1c(C)cc(C(=O)Cn2nnc(-c3ccc(Br)cc3)n2)c1C 13121165 IHEYZCLEXKQGDU-CYBMUJFWSA-N 432.322 3.611 0 40 IHAB C[C@H]1c2cccc(C(=O)Nc3ccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)c2O[C@@H]1C 13126926 OHFOYVMLLSKEPX-QBPKDAKJSA-N 444.553 3.621 0 40 IHAB Cc1cc(C)n(-c2nc(SCCN3CCOCC3)c3c4c(sc3n2)CCCC4)n1 13140535 XMSTVSOSVZXCOC-UHFFFAOYSA-N 429.615 3.797 0 40 IHAB O=C(NCC(=O)N1CCC[C@H]1C(=O)Nc1ccc2ccccc2c1)OCc1ccccc1 13541178 YVMWGYRWDXZYLQ-QFIPXVFZSA-N 431.492 3.696 0 40 IHAB COc1ccc([C@@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C3=C2C(=O)OC3)c(OC)c1OC 13567567 GSDVCWYKEALWPP-ZDUSSCGKSA-N 447.846 3.836 0 40 IHAB Cn1c(SCC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)nnc1-c1ccncc1 14117313 JRZVNYKEVWAJDB-MRXNPFEDSA-N 434.481 3.533 0 40 IHAB O=C(NCCc1cccc(F)c1)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 15183376 GQOAMXPOWCJWBG-UHFFFAOYSA-N 434.439 3.877 0 40 IHAB COc1ccccc1CN(Cc1cccs1)C(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O 16015091 SDEZFJPLCKCJJP-BGYRXZFFSA-N 440.565 3.851 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@H](CC(C)C)N[C@@]23C(=O)Nc2ccc(C)cc23)cc1 16026661 VORDSJCBYIFJSS-HEKZAOSPSA-N 449.551 3.982 0 40 IHAB biogenic Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H](C1CCN(C(=O)CSc3nc(C)c(C)o3)CC1)N2 19128796 BFSOZDDQSYGDLS-JKSUJKDBSA-N 439.532 3.818 0 40 IHAB O=C(NCC1CCCCC1)c1cc([C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)no1 19373621 XZZRJHUWXRVLIT-GOSISDBHSA-N 431.558 3.553 0 40 IHAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCN(S(=O)(=O)c4ccc(F)cc4)C3)cc2N1 19520807 OBBBISDYPMHEQB-SUYBPPKGSA-N 446.470 3.898 0 40 IHAB CS(=O)(=O)N1CCC(c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2cccs2)N3)CC1 19572340 AHDAWYKSZWXZRV-DZGCQCFKSA-N 434.509 3.744 0 40 IHAB Cc1nc(CN(C)C(=O)c2[nH]c3ccc(F)cc3c2C)nc2c1CCC(=O)N2CC1CC1 19698063 DGGVBZVVFPVVFE-UHFFFAOYSA-N 435.503 3.675 0 40 IHAB C[C@@H]1CCCCN1CCC(=O)N1CCC(c2ccc(C(=O)N3CCCCC3)cn2)CC1 19705780 WOSXNHAXPLUBTO-HXUWFJFHSA-N 426.605 3.678 0 40 IHAB C[C@@H](CC(=O)N1CCCC1)CC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 19878036 SRCQRVMJPQYTQT-QFIPXVFZSA-N 433.596 3.959 0 40 IHAB Cc1cc(C)c(NC(=O)CN(C)C(=O)C2(S(=O)(=O)c3ccccc3)CCCC2)c(C)c1 22276731 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CC1=C(C(N)=O)[C@H](c2ccccc2)NC(SCC(=O)Nc2ccc(C)c(Cl)c2)=N1 35400857 GZNDPVDYCAHUIC-IBGZPJMESA-N 428.945 3.780 0 40 IHAB COc1ccc(-c2csc3c(=O)n(CC(=O)Nc4ccc(NC(C)=O)cc4)cnc23)cc1 38487120 SLKXDOWMCPPCEX-UHFFFAOYSA-N 448.504 3.731 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](CC(C)C)c3ccccc3)C2)cc1 38753699 ZMCCKURQSMBBIZ-NFBKMPQASA-N 444.597 4.000 0 40 IHAB COc1ccc(Cl)cc1NC(=O)[C@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1 38849429 XYVBPZAUFDJJQM-QGZVFWFLSA-N 445.324 3.558 0 40 IHAB CCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)NC[C@@H]2CCOC2)ccc1Cl 40103192 SJKFPWISCQZPDT-HNNXBMFYSA-N 437.949 3.713 0 40 IHAB C[C@@H]1CCc2c(sc3ncnc(N4CCC(C(=O)NCC(C)(C)CN(C)C)CC4)c23)C1 40158225 BUYPOSUOZJJGQL-MRXNPFEDSA-N 443.661 3.737 0 40 IHAB CC(C)NS(=O)(=O)c1cccc(CNC(=O)N(C)Cc2c(F)cccc2Cl)c1 48326056 YCDCMCRHJCAYFJ-UHFFFAOYSA-N 427.929 3.507 0 40 IHAB COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)CSc1ccccc1C 60388031 SGMKGIGMDKEEEV-GOSISDBHSA-N 429.538 3.793 0 40 IHAB COc1c(C)cccc1C(=O)N1CC[C@H](c2c(C(=O)NCCO)sc3ccccc23)C1 72352268 OLAOINAHYMDUSI-INIZCTEOSA-N 438.549 3.570 0 40 IHAB C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1ccc3[nH]c(-c4ccc(Cl)cn4)nc3c1)CS2 79074240 ABTYPZBWCWVRPU-OXJNMPFZSA-N 427.917 3.671 0 40 IHAB COc1cc(I)c(Cl)cc1C(=O)NCCC[C@@H]1CCC[C@@H]1O 89420773 PPHHIPAERXJIBA-HZMBPMFUSA-N 437.705 3.624 0 40 IHAB O=C(NC1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1)c1n[nH]c2c1CCCC2 90591595 WXPINDLJTJBTJE-UHFFFAOYSA-N 436.947 3.798 0 40 IHAB Cc1ccc(Oc2ccc(NC(=O)CN3C(=O)[C@H]4[C@@H]5C=C[C@@H]([C@H]6C[C@H]56)[C@@H]4C3=O)cc2)cc1 100284248 HDGXAMFZBUFNBI-JKNQRQLFSA-N 428.488 3.779 0 40 IHAB CCOc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccccc4)NN(Cc4ccccc4)[C@H]3C2=O)cc1 102871069 SOIABYWLHAPPRM-WXFUMESZSA-N 427.504 3.705 0 40 IHAB CC[C@H](C(=O)Nc1cccc(Br)c1)N(c1cccc(OC)c1)S(C)(=O)=O 220611199 KSABXWLRRBHXGI-QGZVFWFLSA-N 441.347 3.641 0 40 IHAB CCOc1ccccc1NC(=O)[C@@H](CC)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 220745765 KCRLCWOTXZACPD-QGZVFWFLSA-N 440.949 3.931 0 40 IHAB CC[C@H](C(=O)NCCCc1ccccc1)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 222496438 AOUBEHBUFXDJBP-GOSISDBHSA-N 438.977 3.642 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCc2cccc3ccccc23)c(C)c1 222816955 PJGALGVRSFTPAI-UHFFFAOYSA-N 440.565 3.874 0 40 IHAB COc1ccc([C@@H](C)NC(=O)c2ccc3c(c2)S(=O)(=O)N=C(C)N3CC(C)C)cc1 223122565 CQAPBRKUNVXNDV-OAHLLOKOSA-N 429.542 3.769 0 40 IHAB COC(=O)c1ccc(C)c(S(=O)(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)c1 223864548 CUKMMVYWHPJXSU-UHFFFAOYSA-N 443.496 3.978 0 40 IHAB CS(=O)(=O)N(CC(=O)NCCc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl 223874482 PNUGXGQFIIGZEH-UHFFFAOYSA-N 435.760 3.772 0 40 IHAB CCc1ccc([C@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3C)CC2)cc1 224151839 FWMBITSUDIJVHD-IBGZPJMESA-N 428.598 3.977 0 40 IHAB Cc1cccc(C)c1N(CCCC(=O)NCCOc1ccc(Cl)cc1)S(C)(=O)=O 224651817 VPBYTLDLBFCPKN-UHFFFAOYSA-N 438.977 3.698 0 40 IHAB CCN(Cc1nc(-c2cccs2)no1)S(=O)(=O)c1cc2c(cc1OC)CCCC2 224999916 JWDDSQBOJIOIRM-UHFFFAOYSA-N 433.555 3.896 0 40 IHAB CCc1ccc([C@H](C)NC(=O)CN(c2ccc(C(F)(F)F)cc2)S(C)(=O)=O)cc1 225120139 AMNAXUJEWRAKMV-AWEZNQCLSA-N 428.476 3.911 0 40 IHAB COc1ccccc1OC[C@H](C)NC(=O)/C(=C/c1ccco1)NC(=O)c1cccc(C)c1 225467051 BWUFADYSAPFBON-IGCAKMCNSA-N 434.492 3.951 0 40 IHAB COc1ccccc1[C@H](C)NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 225486347 VOOGDYRECRLNLR-LBPRGKRZSA-N 431.341 3.645 0 40 IHAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)N[C@H](C)c3cc(C)ccc3C)s2)cc1 225565007 IEIXRCJTCHVKAZ-OAHLLOKOSA-N 430.555 3.755 0 40 IHAB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1)Nc1ccc(Cl)cc1 408670891 XPKGPRHXPLPGIF-RTBURBONSA-N 438.867 3.591 0 40 IHAB COc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccccc3Cl)[C@H]2c2ccc(C)cc2)cc1 409062221 QDBYZKXYRLOGTK-WAUWHALJSA-O 448.930 3.673 0 40 IHAB Cc1ccc(NC(=O)CSc2nnc([C@@H](NC(=O)c3ccccc3)C(C)C)n2C)cc1 409169903 RSWGZVXJQNZIRU-FQEVSTJZSA-N 437.569 3.981 0 40 IHAB CCN1C(=O)N/C(=C/c2cc(OC)c(OCc3ccccc3)cc2Br)C1=O 409244766 IIXZNSAIWXNTMZ-CXUHLZMHSA-N 431.286 3.949 0 40 IHAB Cc1cc(C)cc(N([C@@H](C)C(=O)NCCSCc2ccccc2C)S(C)(=O)=O)c1 409411605 XVXYELPZWWQNOP-IBGZPJMESA-N 434.627 3.816 0 40 IHAB COCC(=O)N1CCCCCCCCN(C(=O)CCn2ccnc2C)Cc2ccccc21 643554227 NOHFTJQJXFZTOC-UHFFFAOYSA-N 440.588 3.944 0 40 IHAB Cc1nc(-c2ccc(C(=O)N3C[C@H]4CC[C@H]3[C@H]3CN(Cc5ccccc5)C[C@H]43)cc2)n[nH]1 656419112 SWVNXCCGCVRFKY-LWSSLDFYSA-N 427.552 3.763 0 40 IHAB CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CC1)OCc1ccccc12 675398446 FFDLXBILMKVGMA-XMMPIXPASA-N 445.563 3.899 0 40 IHAB COc1cc(/C=C2/N=C(c3ccccc3Br)OC2=O)cc(OC)c1OC(C)=O 726907 WIIHJZXGPFGVGT-OVCLIPMQSA-N 446.253 3.736 0 40 IHAB CCOc1ccc(-n2c(SCC(=O)N3CCCCCC3)nc3c(c2=O)SCC3)cc1 755468 LCHYKNJGGSHLRK-UHFFFAOYSA-N 445.610 3.774 0 40 IHAB Cc1ccc2cc(CN(Cc3cccs3)Cc3nnnn3Cc3ccco3)c(=O)[nH]c2c1 1373123 DSWALRAFYKERLD-UHFFFAOYSA-N 446.536 3.728 0 40 IHAB COc1cc2c(cc1OC)[C@@H]1Cc3c(cnc4c(-c5ccc(F)cc5)cnn34)C(=O)N1CC2 1390395 OTLIAQMNEJBBEC-FQEVSTJZSA-N 444.466 3.848 0 40 IHAB Cc1cccc(C)c1-n1c(=O)c2ccccc2n2c(SCC(=O)N3CCCCC3)nnc12 3524436 CNWBBCSJKNJYGO-UHFFFAOYSA-N 447.564 3.755 0 40 IHAB CCc1ccc(C(=O)COC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)cc1 3563391 HAOOFZDTXKFBBR-UHFFFAOYSA-N 434.469 3.666 0 40 IHAB CN1CCN(c2ccc(NC(=S)NC(=O)COc3ccc(C(C)(C)C)cc3)cc2)CC1 5944445 PWGGEZJFKKXWSD-UHFFFAOYSA-N 440.613 3.628 0 40 IHAB COC(=O)c1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)cc1 8950175 MOWSYTVPAXVEIB-NSHDSACASA-N 443.550 3.627 0 40 IHAB CN(C)C(=O)c1ccc(NC(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1 9124965 ZKTGYRZKNZZFTA-UHFFFAOYSA-N 443.459 3.992 0 40 IHAB CCOc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCO)cc1OCC 9409212 GXHPGGDLIUDGQD-QHCPKHFHSA-N 437.496 3.507 0 40 IHAB Cc1c(Cl)cccc1N1C[C@@H](C)Cn2c1nc1c2c(=O)n(Cc2ccccc2)c(=O)n1C 9519282 OYIMEBGIUPEGDO-OAHLLOKOSA-N 449.942 3.695 0 40 IHAB CC(=O)c1ccc(NC(=O)CSc2nnc(-c3[nH]cnc3C)n2-c2ccccc2)cc1 9526053 LLUFKFGPGBCBNU-UHFFFAOYSA-N 432.509 3.899 0 40 IHAB O=C(CCS(=O)(=O)c1ccccc1)Nc1nc(-c2cc3ccccc3oc2=O)cs1 9599537 MQTTYEZUOGFLEI-UHFFFAOYSA-N 440.502 3.719 0 40 IHAB Cc1ccc(C)c(-c2nnc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3cccs3)o2)c1 9664143 DWHHJBAOZDTQDY-MRXNPFEDSA-N 446.554 3.597 0 40 IHAB O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1cnn(Cc2ccccc2)c1 9883728 ADYNYFRMMHGHCH-UHFFFAOYSA-N 438.553 3.748 0 40 IHAB C[C@@H](OC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)C(=O)c1ccc(OC(F)F)cc1 10241286 PSRFEAKVWOIJLV-SNVBAGLBSA-N 432.828 3.773 0 40 IHAB COc1ccc2c(c1)CCCN2C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 11044682 DIGOHAPJRSUFQY-UHFFFAOYSA-N 436.533 3.870 0 40 IHAB COc1ccc(-c2cc3nc([C@@H](NC(=O)c4ccn(C(F)F)n4)C(C)C)nn3cn2)cc1 12085256 MHUDCZNCYTVWLC-SFHVURJKSA-N 441.442 3.519 0 40 IHAB O=C(Nc1nnc(SCc2ccccc2F)s1)[C@@H]1CC(=O)N(c2ccccc2)C1 12140413 UTIKVTSBWUDCMN-CQSZACIVSA-N 428.514 3.961 0 40 IHAB COc1ccc(C(=O)CCC(=O)N2CCC(c3noc(-c4cnc(C)cn4)n3)CC2)cc1C 12187482 NEZQQIDGMCHCKD-UHFFFAOYSA-N 449.511 3.521 0 40 IHAB CC1=C(C(=O)N2CCOCC2)[C@H](c2c(F)cccc2F)NC(=S)N1c1ccc(F)cc1 12554422 MWOKWTGBJOLZHI-HXUWFJFHSA-N 447.482 3.673 0 40 IHAB COc1ccccc1N(CC(=O)N1CCc2ccccc21)S(=O)(=O)c1ccc(C)cc1 12793353 BSCKGORPCVMDJR-UHFFFAOYSA-N 436.533 3.788 0 40 IHAB COc1cc(Cl)c(C)cc1NC(=O)CN1CCN(c2cc(C)nc(C(C)C)n2)CC1 12820969 JTYQHASYXDFKFI-UHFFFAOYSA-N 431.968 3.640 0 40 IHAB CC(C)(C)NC(=O)[C@@H](c1ccncc1)N(C(=O)c1csnn1)c1ccc(Cl)cc1 12870516 IZINXVGXQQNRSM-QGZVFWFLSA-N 429.933 3.889 0 40 IHAB COc1ccc(C)cc1[C@H](C)NC(=O)[C@@H](NS(=O)(=O)c1cccc(Cl)c1)C(C)C 12906262 SQLAJOYKOMHGMG-YWZLYKJASA-N 438.977 3.837 0 40 IHAB CCOc1ccccc1NC(=O)CCCCCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O 13576574 IBYQUUHGGVHANS-NRFANRHFSA-N 435.524 3.973 0 40 IHAB CS(=O)(=O)N1CCCC[C@H]1C(=O)N(Cc1ccccc1)c1nc2c(F)cccc2s1 13793377 LGHVRQZWYKUZIQ-KRWDZBQOSA-N 447.557 3.783 0 40 IHAB C[C@H](CCc1ccccc1)NC(=O)CCC(=O)Nc1ncc(-c2ccc3c(c2)OCO3)n1C 13880496 VJUIOBAPQWFKMV-QGZVFWFLSA-N 448.523 3.672 0 40 IHAB O=C(CSc1nnc([C@@H]2COc3ccccc3O2)o1)N1CC=C(c2ccccc2)CC1 14124543 LMUQXNINHWPQEI-FQEVSTJZSA-N 435.505 3.990 0 40 IHAB COc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1C(=O)N1CCC(C)CC1 14399581 PIZYRCNTAOHMGW-UHFFFAOYSA-N 436.961 3.699 0 40 IHAB CCCCOc1ccc(C(=O)N(Cc2cccc(OC)c2)[C@H]2CCS(=O)(=O)C2)cc1 16752807 WPLHFPSWZGSZGW-FQEVSTJZSA-N 431.554 3.704 0 40 IHAB CCOc1ccc(S(=O)(=O)NCCc2csc3nc(-c4ccc(C)cc4)nn23)cc1 17308103 XUZVTKSNVCFNDB-UHFFFAOYSA-N 442.566 3.686 0 40 IHAB CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 17904702 MXFRKCSJPRGGDA-MRXNPFEDSA-N 447.457 3.718 0 40 IHAB C[C@@H](C(=O)N1CCC[C@H]([C@@H]2C[C@H](C(F)F)n3nc(C(C)(C)C)cc3N2)C1)N1CCCC1 19078269 MSXGFFFIKZDDKB-XLAORIBOSA-N 437.579 3.894 0 40 IHAB CNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)Cc2c(C)n[nH]c2C)CC1 19700280 DKPVBQYDBKEIGL-UHFFFAOYSA-N 444.579 3.834 0 40 IHAB COc1ccc(NC(=O)c2cnc([C@H]3CCN(C(=O)Cc4cccc(C)c4)C3)nc2C)cc1 19766229 ICPJPYCRAKFDRM-FQEVSTJZSA-N 444.535 3.913 0 40 IHAB CCN(CC(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930150 LZDMHCSXSFLYCG-UHFFFAOYSA-N 431.341 3.960 0 40 IHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 19932965 GFGFZWYKYPVKLU-AWEZNQCLSA-N 431.901 3.942 0 40 IHAB Cc1c(CC(=O)NCCCN2CCOCC2)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 20567182 ZYXWXXICTSBANO-UHFFFAOYSA-N 440.540 3.526 0 40 IHAB CCN(Cc1ccc2c(c1)OCO2)C(=O)CSc1nc(C)c(C)n1C[C@H]1CCCO1 22092205 ORXMDHIJEKYMFK-GOSISDBHSA-N 431.558 3.548 0 40 IHAB CCN(c1cc(OC)c(OC)cc1C(=O)Nc1ccc(C(F)(F)F)cc1)S(C)(=O)=O 22252008 UVRVCBOTDSLBCY-UHFFFAOYSA-N 446.447 3.761 0 40 IHAB COc1ccc(-c2nc(C(=O)NC[C@@H](c3cccc(F)c3)N(C)C)cs2)cc1OC 22609315 QOXFOINKSAHFBQ-SFHVURJKSA-N 429.517 3.999 0 40 IHAB COc1cccc([C@@H](c2sc3ncnn3c2O)N2CCN(c3ccc(F)cc3)CC2)c1 22609914 HZGAWOUTJABEQK-IBGZPJMESA-N 439.516 3.556 0 40 IHAB O=C(OCCCn1c(=O)[nH]c2ccccc21)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 22716787 HVKHRTCMYYMUIB-UHFFFAOYSA-N 448.445 3.593 0 40 IHAB CC(C)c1noc(COC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)n1 22750657 CYRSMMMKYROJHC-UHFFFAOYSA-N 441.937 3.768 0 40 IHAB C[C@]1(c2ccco2)NC(=O)N(CC(=O)N2c3ccccc3SC[C@H]2c2ccccc2)C1=O 23043394 HIGPDGQVASAZHU-MHECFPHRSA-N 447.516 3.927 0 40 IHAB CCCCCn1c(SCCN2CCOC2=O)nc2ccc(Br)cc2c1=O 24766551 CHZLTTTVSJYKLF-UHFFFAOYSA-N 440.363 3.894 0 40 IHAB O=C([C@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1)N1CCCCCC1 26110422 CKUGMNDJWBMSPE-HNNXBMFYSA-N 433.401 3.938 0 40 IHAB CN(C)C(=O)[C@H]1CCCN1CC(=O)N(Cc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 27566724 FUPIHVNYRVTANJ-OJNXCIKNSA-N 441.591 3.676 0 40 IHAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)NC[C@H](c2cccc(F)c2)N(C)C)cc1 27593056 SPJARLJIXSHKLC-LJQANCHMSA-N 427.549 3.864 0 40 IHAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 29379588 UKYPXQQPEYWSNK-UHFFFAOYSA-N 447.944 3.504 0 40 IHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 30943003 QQNUXTQVWXMPHE-MRXNPFEDSA-N 446.931 3.995 0 40 IHAB CCOC(=O)c1c(C)oc2ncn(CCC(=O)Nc3c(Cl)cccc3Cl)c(=O)c12 32871231 JEXOUHHWKXIKJD-UHFFFAOYSA-N 438.267 3.810 0 40 IHAB C[C@@H](OC(=O)c1ccc(N2C(=O)CCC2=O)cc1)C(=O)Nc1cc(Cl)ccc1Cl 36240206 IRWQMJUEJURZDX-LLVKDONJSA-N 435.263 3.831 0 40 IHAB CC(=O)Nc1cccc(NC(=O)CSCc2nc3sc(C(C)C)cc3c(=O)[nH]2)c1 36360035 IDSAEEJELDFBIY-UHFFFAOYSA-N 430.555 3.938 0 40 IHAB CSc1ncc(C(=O)O[C@H](C)C(=O)NCc2ccc(F)cc2)n1-c1ccc(F)cc1 39996279 CBIOAJBOWJIIHJ-CYBMUJFWSA-N 431.464 3.734 0 40 IHAB COc1ccc(F)cc1CN1CCN(c2cc(C)nc3c4c(C)cc(C)nc4nn23)CC1 54284460 GFZHYQKRYWZHJJ-UHFFFAOYSA-N 434.519 3.673 0 40 IHAB Cc1ccc(NC(=O)Cn2c(=O)n(Cc3cccc(Cl)c3)c(=O)c3ccccc32)cc1 57472839 WXXFTZQDASRMJG-UHFFFAOYSA-N 433.895 3.812 0 40 IHAB COC(=O)c1cc(Cl)c(NC(=O)N(Cc2cccnc2)C[C@H]2CCCO2)cc1OC 57997417 XEZMYHRFBHEZIV-OAHLLOKOSA-N 433.892 3.743 0 40 IHAB CN(C[C@H]1CCCO1)c1nc(CN2CCOCC2)nc2scc(-c3cccs3)c12 58216916 LIHDAXHFHMYYJL-OAHLLOKOSA-N 430.599 3.867 0 40 IHAB O=C(NC1(c2ccc(Br)cc2)CCC1)c1ccc(N2C(=O)CCC2=O)cc1 70009962 CKECEEZIJCYTOH-UHFFFAOYSA-N 427.298 3.912 0 40 IHAB C[C@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)NC(=O)Cn1ccc(=O)c2ccccc21 72277535 BEHAZINAVGTMRF-BXKMTCNYSA-N 427.545 3.591 0 40 IHAB CCN1CCN(C(=O)Cc2cccnc2)[C@H](Cc2cccc(-c3ccc(OC)cc3)c2)C1=O 72351451 QPWAYRJRRCFBQI-RUZDIDTESA-N 443.547 3.602 0 40 IHAB Cc1nc(CN(C)C(=O)CCc2ccccc2)nc2c1CCC(=O)N2Cc1ccccc1 72371002 OACDTFBFVQUMLC-UHFFFAOYSA-N 428.536 3.856 0 40 IHAB CCn1cc(S(=O)(=O)N2CC[C@@H](c3cc(Cc4cccc(F)c4)cc(C)n3)C2)c(C)n1 72374804 LGKGERWNJWXDDH-HXUWFJFHSA-N 442.560 3.823 0 40 IHAB COC(=O)c1nc(NC(=O)C2(n3cnnn3)CCCCC2)sc1-c1ccccc1Cl 72405229 FAFKOYKJHWEMLE-UHFFFAOYSA-N 446.920 3.535 0 40 IHAB COc1ccc(S(=O)(=O)C2CCN(C(=O)c3cc(-c4ccc(F)cc4)c[nH]3)CC2)cc1 96099616 SUCHNXPUIGLVNU-UHFFFAOYSA-N 442.512 3.908 0 40 IHAB COc1ccc(-c2noc(-c3cccc(N4C(=O)[C@H]5[C@H]6CC[C@@H](C6)[C@@H]5C4=O)c3)n2)cc1OC 101099497 PPTLNUMESRNWKF-FJAKRLOMSA-N 445.475 3.956 0 40 IHAB Cc1c(Cl)cccc1NC(=O)CSC(=S)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2 113482211 JAKZODKKELKSIE-HUUCEWRRSA-N 448.013 3.886 0 40 IHAB CC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCC(C)CC2)c1)c1ccc(OC)cc1 113957495 JJINNHFYMXYACX-QFIPXVFZSA-N 430.570 3.997 0 40 IHAB CC[C@H](NC(=O)c1ccc(N(CC)S(=O)(=O)CC)cc1)c1ccc(OC)c(OC)c1 222403658 OXDJJOPDVTXRHW-IBGZPJMESA-N 434.558 3.761 0 40 IHAB CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CSCc1c(F)cccc1Cl 222781722 VBKTYAAYKKGOQC-AWEZNQCLSA-N 438.952 3.884 0 40 IHAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)c1 222936415 OWVOQPIYEPTEDG-QGZVFWFLSA-N 430.570 3.725 0 40 IHAB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(C(=O)O)cc2C)o1 223030415 CQNGYFFTBUQYCN-NHCUHLMSSA-N 437.521 3.967 0 40 IHAB CCCc1ccc(OCCNC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1 223682281 REGFXPLGELVMGN-UHFFFAOYSA-N 438.977 3.562 0 40 IHAB COc1ccc(OCC(=O)N(Cc2cccc(OC)c2)[C@H](C)C(=O)NC2CCCC2)cc1 224014534 YDQBWQKVOIOEDF-GOSISDBHSA-N 440.540 3.559 0 40 IHAB COc1cccc(OC)c1CNC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1 224095693 PMDRLKAUBSBHCF-UHFFFAOYSA-N 440.521 3.743 0 40 IHAB CN(c1cccc(C(=O)NCCCN2CCCCCC2)c1)S(=O)(=O)c1ccccc1 224254224 FNPJPSHXQWWRAJ-UHFFFAOYSA-N 429.586 3.508 0 40 IHAB COc1ccc(CN(C(=O)COc2cc(C)cc(C)c2)[C@H](C)C(=O)NCC(C)C)cc1 224471798 WGPBDUFRXLLXMU-HXUWFJFHSA-N 426.557 3.880 0 40 IHAB CC1CCN(c2cc(Sc3ncccn3)nc(NC(=S)NCc3ccco3)n2)CC1 225912249 ZLYIRPLJKPMLQA-UHFFFAOYSA-N 441.586 3.734 0 40 IHAB Cc1ccc(N(CN2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)C(=O)c2ccccc2)c(C)c1 226399731 UBRRSJSTZHOYAV-BLLLPLFDSA-N 426.516 3.961 0 40 IHAB CCOC[C@]1(C(N)=S)[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 252516477 SSTZKBZTJDEKRK-SCTDSRPQSA-N 427.950 3.728 0 40 IHAB CCCC[C@@H](NC(=O)COc1ccc([C@@H]2Cc3ccccc3C(=O)O2)cc1C)C(=O)O 256028216 YZXRBTSWMKCPFA-CTNGQTDRSA-N 425.481 3.588 0 40 IHAB O=c1/c(=C/Nc2nc(-c3ccc(Cl)cc3)cs2)sc2nc(-c3ccncc3)nn12 256055889 XZGYZBJKGIKIKT-DHDCSXOGSA-N 438.925 3.559 0 40 IHAB CN(C)C(=O)c1sc2nccnc2c1[C@H]1CCN(C(=O)c2nccc3ccccc23)C1 257218377 DCXOLNXUUHLJCP-HNNXBMFYSA-N 431.521 3.571 0 40 IHAB O=C(c1ccccc1Cn1ccnc1)N1CCOC[C@@H](Cc2cccc3ccncc23)C1 257288795 PVSKQXMEFMWUHT-FQEVSTJZSA-N 426.520 3.811 0 40 IHAB CCS(=O)(=O)N1C[C@@H](C(=O)N[C@H](CC(C)C)c2ccc(OC)cc2)Oc2ccccc21 260408684 HJWZZTIDQIAEJF-KNQAVFIVSA-N 446.569 3.516 0 40 IHAB COc1ccccc1[C@@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 260815129 SIVPPWURXIOWRN-CTNGQTDRSA-N 444.597 3.547 0 40 IHAB CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1cccc(NC(C)=O)c1 408636763 BTQKUVAIMJSKMQ-UHFFFAOYSA-N 425.514 3.663 0 40 IHAB Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)c(C)c1 408657953 KGPIZWGKBYMWJL-PMACEKPBSA-N 432.476 3.555 0 40 IHAB C[C@H](C(=O)NCCc1ccccc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 409027463 IIVJKUNIDQMWFD-LJQANCHMSA-N 438.549 3.992 0 40 IHAB CCn1c(SCC(=O)NC2CCCCC2)nnc1[C@@H](NC(=O)c1ccccc1)C(C)C 409163471 RYVPGVHHOAOKML-FQEVSTJZSA-N 443.617 3.966 0 40 IHAB CC(C)(NC(=O)c1cccc(F)c1)C(=O)N1CCOC[C@H](Cc2cccc3ccncc23)C1 585262063 HPSCFEFRGGMXBK-GOSISDBHSA-N 449.526 3.600 0 40 IHAB O=C1NCCCCN(C(=O)COc2cccc(F)c2)CCCOc2ccc(Cl)cc21 643558037 HMZNKTXKXUOUIE-UHFFFAOYSA-N 434.895 3.679 0 40 IHAB COc1ncc(CN2CCC(Cc3nc(C)cc(Nc4ncc(C)s4)n3)CC2)cn1 2037835076 WRSHTALTVNCSTN-UHFFFAOYSA-N 425.562 3.547 0 40 IHAB CCOc1ccc(-n2cc(-c3ccccc3)c3c(N4CCN([N+](=O)[O-])CC4)ncnc32)cc1 1447748 ALECYYGHOLJBCL-UHFFFAOYSA-N 444.495 3.800 0 40 IHAB COC(=O)c1c(NC(=O)CCCOc2ccc(C)cc2)sc2c1[C@H](C(=O)OC)CC2 1773380 WDBSUQQXYGRRAC-OAHLLOKOSA-N 431.510 3.844 0 40 IHAB CC(C)(C)c1ccc(-c2nnc3sc(CCN4C(=O)c5ccccc5C4=O)nn23)cc1 2214599 YONDCVIHJNVFPG-UHFFFAOYSA-N 431.521 3.989 0 40 IHAB CCOC(=O)c1ccc(-n2c(N)c(C(=O)N[C@@H](C)CC)c3nc4ccccc4nc32)cc1 2374351 ZWVQZNRXYWNFSL-AWEZNQCLSA-N 431.496 3.861 0 40 IHAB O=C(N[C@]1(C(F)(F)F)N=C(O)N(c2ccc(F)c(Cl)c2)C1=O)c1ccccc1F 2390990 IGAUWWRHGXLQCE-INIZCTEOSA-N 433.720 3.567 0 40 IHAB O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)NCCCn1ccnc1 2489014 QFMVUSKUVXIFMF-UHFFFAOYSA-N 427.477 3.719 0 40 IHAB Cc1cccc(-n2c(SCn3nnc4ccccc4c3=O)nc3ccccc3c2=O)c1 3418211 IWFCENIMDYVBNI-UHFFFAOYSA-N 427.489 3.549 0 40 IHAB O=C(NC(=S)Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1)c1ccccc1F 6146890 XBTWQQWTZCWSAQ-UHFFFAOYSA-N 447.488 3.892 0 40 IHAB Cc1c(CC(=O)NC[C@@H]2CCCO2)c(=O)oc2cc3c(cc12)CCC1(CCCCC1)O3 6764477 FCRKERQBCKBILM-SFHVURJKSA-N 425.525 3.967 0 40 IHAB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(Oc3ccccc3)cc2)cc1 8729444 SYTCRJVSRHYNMY-UHFFFAOYSA-N 440.477 3.717 0 40 IHAB COc1ccc(/C=C2\SC(=O)N(CC(=O)NC34CC5CC(CC(C5)C3)C4)C2=O)cc1 8765841 TXMGWSFMLVDHRF-OCKHKDLRSA-N 426.538 3.817 0 40 IHAB COc1ccc2c(c1OC)C(=O)N1[C@@H]2SC(C)(C)[C@H]1C(=O)N[C@@H](C)c1ccccc1 8952638 XIGLTUDNIPUDGN-NCNFXNTHSA-N 426.538 3.930 0 40 IHAB biogenic COc1cccc(-c2nnn(CC(=O)N3c4ccccc4OC[C@@H]3c3ccccc3)n2)c1 9056308 PUIHHEJUNHPEPO-OAQYLSRUSA-N 427.464 3.516 0 40 IHAB COc1ccc(-n2c(SCC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)nc3ccccc32)cc1 9128869 GRERQQLCHKTYOF-UHFFFAOYSA-N 445.504 3.935 0 40 IHAB O=C(Cc1csc(-c2ccccc2)n1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 9129099 GEMFITSBXMJOHP-UHFFFAOYSA-N 427.551 3.776 0 40 IHAB CCc1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@@H](C(=O)Nc1ccc(OC)cc1)S2 9198017 MCOHGZINXYJGQD-ROUUACIJSA-N 429.933 3.900 0 40 IHAB COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1Cl 9288347 ZZRHXTGFFKQTOI-CYBMUJFWSA-N 426.897 3.527 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(C)c(NCC(=O)Nc2ccc(OC(F)F)cc2)c1 9315847 ZFDCZJVUMKNQRM-UHFFFAOYSA-N 441.500 3.678 0 40 IHAB CC(C)CN(CC(C)C)C(=O)CSc1nnc(-c2ccccc2Br)n1N 9509150 FCHHIWFJAMDZCK-UHFFFAOYSA-N 440.411 3.654 0 40 IHAB COc1cc(NC(=O)COC(=O)c2ccccc2OCc2c(C)noc2C)cc(OC)c1 9619528 XQORDVVGRALXET-UHFFFAOYSA-N 440.452 3.683 0 40 IHAB CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N3CCc4ccccc43)cc2c1 9636318 FJPWZCMDOCCZFN-QFIPXVFZSA-N 428.540 3.984 0 40 IHAB Cc1cc(C)nc(SCc2cc(=O)c(OC(=O)COc3ccc(Cl)cc3)co2)n1 9829280 HYNLKUIAQKVZTE-UHFFFAOYSA-N 432.885 3.977 0 40 IHAB COc1ccc(N([C@@H](C)C(=O)Nc2ccc(F)c(Cl)c2)S(C)(=O)=O)cc1Cl 10336508 UCUVYXLGDXZLBQ-JTQLQIEISA-N 435.304 3.934 0 40 IHAB CCOC(=O)c1cccc(NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)c1 10441053 YESWZSDQHKBRCW-UHFFFAOYSA-N 445.324 3.575 0 40 IHAB COc1ccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)cc1C(=O)N1CCC(C)CC1 10449984 HNTYZIQREHVJRM-KRWDZBQOSA-N 428.554 3.707 0 40 IHAB O=C(CSc1nnc(-c2ccc[nH]2)o1)NC1(c2ccc3c(c2)OCCO3)CCCC1 11277407 TVURGCUCJDVHOY-UHFFFAOYSA-N 426.498 3.514 0 40 IHAB Cc1ccc(-c2cc(C(=O)N(Cc3sccc3C)[C@@H]3CCS(=O)(=O)C3)no2)cc1 11917538 XONWNTYPRZQFSC-QGZVFWFLSA-N 430.551 3.849 0 40 IHAB Cc1cc(Br)ccc1NC(=O)CN(C)Cc1ccccc1N1CCOCC1 12516020 HPXTUVAHJUESSD-UHFFFAOYSA-N 432.362 3.665 0 40 IHAB COc1ccc2nc(NC(=O)CCc3ccc(S(=O)(=O)N4CCCC4)cc3)sc2c1 12769794 ZNIRNGDYOCVLKQ-UHFFFAOYSA-N 445.566 3.661 0 40 IHAB Cc1ccc(Sc2ncccc2C(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)cc1 12774065 QHMUBPZITBMJCJ-UHFFFAOYSA-N 447.560 3.944 0 40 IHAB C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 12816987 IFRYDSNVTZBPAI-KRWDZBQOSA-N 449.473 3.665 0 40 IHAB COC(=O)Nc1ccc(C(=O)Nc2sc3c(c2C(=O)N2CCOCC2)CCCC3)cc1 12913083 WYBWIFYKYGHITP-UHFFFAOYSA-N 443.525 3.530 0 40 IHAB CC1CCN(c2nnc(SCC(=O)Nc3cccc(F)c3)n2C[C@@H]2CCCO2)CC1 12922714 OXSLRUFUVBTAOK-SFHVURJKSA-N 433.553 3.563 0 40 IHAB CN(CC(=O)Nc1cccc(I)c1)Cc1nc2ccccc2s1 12986685 NYGLYPOREBYBBA-UHFFFAOYSA-N 437.306 3.971 0 40 IHAB O=S(=O)(N[C@@H](CN1CCOCC1)c1ccccc1)c1cc(C(F)(F)F)ccc1Cl 13000918 NGELAZUIPQADGI-KRWDZBQOSA-N 448.894 3.711 0 40 IHAB C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1N 13038853 NFXCYNOSHBPMAU-OKILXGFUSA-N 428.583 3.720 0 40 IHAB O=C(N[C@@H]1CCSc2ccccc21)c1ccc(S(=O)(=O)NCc2ccco2)cc1 13109618 XKVXHSHNUYGBTO-LJQANCHMSA-N 428.535 3.725 0 40 IHAB CCCCCCSc1nc(O)c([C@@H]2OC(=O)c3c2ccc(OC)c3OC)c(=O)n1CC 13142136 QEJXBEVZSVGWDV-QGZVFWFLSA-N 448.541 3.918 0 40 IHAB CCOC(=O)C1=NN(c2cccc(Cl)c2)[C@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]12 13768460 IRDDNVUFRRBXFA-FUHWJXTLSA-N 446.290 3.599 0 40 IHAB CCOC(=O)c1ccc(N2C(=O)N3CCc4c([nH]c5ccc(OC)cc45)[C@]3(C)C2=O)cc1 15954496 WJQSKLUGRYZHBB-XMMPIXPASA-N 433.464 3.593 0 40 IHAB biogenic O=S(=O)(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc2c(c1)CCC2 16097936 UGVLSFDMRJGIEW-UHFFFAOYSA-N 434.583 3.541 0 40 IHAB COc1cc2ccccc2cc1C(=O)NC(=S)Nc1sc2c(c1C(N)=O)CCC2 16215145 SDCDGFQIHSTPTH-UHFFFAOYSA-N 425.535 3.624 0 40 IHAB CCOC(=O)[C@H](NC(=O)Cc1ccccc1)[C@H](OC(=O)Cc1ccccc1)c1ccccc1 16682158 QIKMZCUNAXHQOA-CLJLJLNGSA-N 445.515 3.804 0 40 IHAB biogenic COc1cccc(NC(=O)N(Cc2nnc3n2CCCCC3)c2ccc3c(c2)OCO3)c1 16960470 MBZQQMVOVLAVBJ-UHFFFAOYSA-N 435.484 3.981 0 40 IHAB COc1ccc([C@@H]2S[C@@H](C)C(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC 17197805 ZRSWUJMCGVEDDR-WNSKOXEYSA-N 439.537 3.669 0 40 IHAB C[C@H]1C[C@@H](C)CN(C(=O)[C@@H](C)Sc2nnnn2-c2ccc(OC(F)(F)F)cc2)C1 19542326 HLOGUQHTYWHEKH-FRRDWIJNSA-N 429.468 3.546 0 40 IHAB CN(C)C(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CN(C(=O)C2CCCCC2)CCO1 19580587 WDVBWKOFZHXWEC-SANMLTNESA-N 435.568 3.557 0 40 IHAB COc1c(F)c(F)c(C(=O)Nc2ccc(I)c(C)n2)c(F)c1F 19631019 VSTOIEXRHHLVKZ-UHFFFAOYSA-N 440.134 3.812 0 40 IHAB COc1ccc(CN2C(=O)CCCC[C@@H]3[C@@H]2CCN3C(=O)c2cn3ccc(C)cc3n2)cc1 19713854 JPJFKWSHGVRWEX-PKTZIBPZSA-N 446.551 3.837 0 40 IHAB Cc1nc(CC(=O)N2CCC[C@@H](c3ccc4c(N)nc(-c5ccccc5)nc4n3)C2)cs1 19743378 CHTLWXJSQHFVND-QGZVFWFLSA-N 444.564 3.988 0 40 IHAB CCc1ncc(CN2CCC[C@@H](c3ncc(C(=O)NCc4ccc(F)cc4)c(C)n3)C2)cn1 19765429 RPMVSZHOLUUQGT-HXUWFJFHSA-N 448.546 3.586 0 40 IHAB CCOC(=O)c1ccc2ncc(C(=O)OCC)c(NCCCOC(=O)C(C)(C)C)c2c1 19792939 CIIVANSTYYGLJX-UHFFFAOYSA-N 430.501 3.980 0 40 IHAB CCCCOc1nnnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 19995520 NIINGNKIAUHOPB-UHFFFAOYSA-N 429.546 3.501 0 40 IHAB CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1 20035854 TWOVWLHKZGJYIA-LOXVZWDBSA-N 445.629 3.611 0 40 IHAB Cc1ccc(CSCCNC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)cc1 20481413 AXSNARRUAALVJV-UHFFFAOYSA-N 432.611 3.584 0 40 IHAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)OCc3nnsc3Cl)c2)cc1 21250261 OGMDXFPMUIGLMP-UHFFFAOYSA-N 437.930 3.682 0 40 IHAB Cc1ccc2nc(-c3ccccc3)c(NC(=O)CN(C)S(=O)(=O)c3cccs3)n2c1 21836273 NRVKRPCBSOPSMM-UHFFFAOYSA-N 440.550 3.630 0 40 IHAB CCN(CC(=O)N[C@H](C)c1cc(C)c(C)cc1C)S(=O)(=O)c1ccc(OC)c(C)c1 22539290 SRUVYHBCEICQPD-LJQANCHMSA-N 432.586 3.817 0 40 IHAB Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C)c2ccc(F)cc2)cc1 22539507 MRTXNBJYLBJLNE-JPYJTQIMSA-N 440.540 3.901 0 40 IHAB CCCCNC(=O)CN1CCN([C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)CC1 22784784 CVPJOIBUMIOHBQ-VWLOTQADSA-N 432.568 3.626 0 40 IHAB C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1 30943942 ZEMSJMNFFRLGPJ-HTAPYJJXSA-N 444.597 3.649 0 40 IHAB Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Cc2nn(C)c(=O)c3ccccc23)c1 32912925 GPNVLMHZWLVXSG-UHFFFAOYSA-N 429.524 3.906 0 40 IHAB CS(=O)(=O)N1C[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)Oc2ccccc21 38753076 PADFVZLMTITOOI-OAHLLOKOSA-N 434.823 3.525 0 40 IHAB CCc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4cccc(Cl)c4)[nH]c(=O)c32)cc1 40399353 RNDFLMBHFBXZEK-MRXNPFEDSA-N 437.887 3.794 0 40 IHAB Cc1ccc(Nc2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccc(C)cc2Cl)CC(=O)N3)cc1 40400531 GUTCKXYJKFUDCY-AWEZNQCLSA-N 437.887 3.848 0 40 IHAB COCc1nn2c(c1-c1ccccc1)N=C(O)C[C@@H]2C(=O)Nc1cc(OC)ccc1OC 44889865 PALFAXPXXLOJJR-GOSISDBHSA-N 436.468 3.885 0 40 IHAB O=C(COc1ccc(Cl)cc1)NC[C@@H](c1ccco1)N1CCN(c2ccccc2)CC1 56945186 GLWYKFIBVPVDOM-QFIPXVFZSA-N 439.943 3.992 0 40 IHAB CCOc1ccccc1N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2)CC1 57416610 DFEKXWBMHSKZBL-MRXNPFEDSA-N 445.922 3.580 0 40 IHAB CCCn1c(SCC(=O)Nc2cc3c(cc2C(C)=O)OCO3)nc2ccsc2c1=O 57425362 OCGLRIHGHZVSLS-UHFFFAOYSA-N 445.522 3.530 0 40 IHAB Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)N[C@H](C)CCc3ccccc3)c2=O)c1 57490139 ACSZXLZQNAPWFM-GOSISDBHSA-N 447.560 3.660 0 40 IHAB CCc1cc(=O)n(CC(=O)Nc2nc3cc(OC)ccc3s2)c(-c2cccc(F)c2)n1 57508342 ZNCCJPUVZQJPFK-UHFFFAOYSA-N 438.484 3.869 0 40 IHAB Cc1ccc(Oc2ccc(NC(=O)CNC(=O)c3ccc(Br)o3)cn2)cc1 58937655 LWSKNTSPHNBIAY-UHFFFAOYSA-N 430.258 3.906 0 40 IHAB CC(C)N(Cc1ccccc1)C(=O)CN1N=C(c2nc(-c3ccccc3)no2)CCC1=O 71772344 GENCHNSTHIVMBO-UHFFFAOYSA-N 431.496 3.500 0 40 IHAB COc1cc(-n2cc(C(=O)Nc3ccncc3)c3ccccc3c2=O)cc(OC)c1OC 95476956 IHHNWXSPXQLXMC-UHFFFAOYSA-N 431.448 3.664 0 40 IHAB CC(C)c1noc(CCNC(=O)[C@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)n1 95988879 VSDPUOHJGSPKHG-IFXJQAMLSA-N 436.915 3.642 0 40 IHAB O=C(c1ccc(-c2ccncc2)cc1)N1CCC[C@@]2(COCCN(c3cccnc3)C2)C1 96076470 OQNZWSMBFFVSIT-SANMLTNESA-N 428.536 3.903 0 40 IHAB c1ccc(CN2CCC(N3CCN(C4CCN(Cc5ccccc5)CC4)CC3)CC2)cc1 97966158 RAXBMXLFBMNBIP-UHFFFAOYSA-N 432.656 3.933 0 40 IHAB Cc1oc(-c2cccc(Cl)c2)nc1CN1N=N[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 101172410 AUCZVAMQLCTTNC-ZWKOTPCHSA-N 439.834 3.936 0 40 IHAB O=c1/c(=C/c2ccc(OCc3ccc4c(c3)OCO4)cc2)sc2nc3ccccc3n12 138591342 TUYOHCDYRUOPFL-UUYOSTAYSA-N 428.469 3.765 0 40 IHAB COc1ccc(C)cc1N(CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)S(C)(=O)=O 222919983 HGHMGFOFVLOFJE-KRWDZBQOSA-N 430.570 3.526 0 40 IHAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2ccccc2)N1CCCN1CCOCC1 223193350 XMFFNYBQTFQLSM-DNQXCXABSA-N 447.608 3.567 0 40 IHAB C[C@@H](NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1)c1ccc(F)cc1 223297957 OCDNGPSLNCDTTN-SNVBAGLBSA-N 440.909 3.622 0 40 IHAB CC(C)(C)CC(C)(C)NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 223994446 NVSWYVJPYXNRLC-FQEVSTJZSA-N 430.570 3.974 0 40 IHAB CCC1(CC)C[C@@H](NC(=O)CN(c2ccccc2OC)S(C)(=O)=O)c2ccccc2O1 225104490 LLDUPFXMLSLWNS-GOSISDBHSA-N 446.569 3.660 0 40 IHAB Cc1ccc(N(CCCC(=O)Nc2nnc(SC(C)C)s2)S(C)(=O)=O)cc1C 225836498 CYLNYULONYAMDW-UHFFFAOYSA-N 442.632 3.840 0 40 IHAB O=C(c1cccc(-c2cncnc2)n1)N1CCC[C@]2(C[C@@H](Oc3ccc(F)cc3)CO2)C1 257281772 OQYRJTNDLHMGCH-YKSBVNFPSA-N 434.471 3.520 0 40 IHAB CCCN1C(=O)S/C(=C\c2cn(CC(=O)N3CCOCC3)c3c(CC)cccc23)C1=O 409126549 CGXMKPXYFHLMSH-UYRXBGFRSA-N 441.553 3.509 0 40 IHAB COc1cc(C2=N/C(=C\c3ccccc3OC(=O)c3ccco3)C(=O)O2)ccc1OC(C)=O 409192419 XGLIKYGIXPHUBQ-ATVHPVEESA-N 447.399 3.777 0 40 IHAB CC1CCN(C(=O)CN2C(=O)S/C(=C/c3ccc(F)c(Br)c3)C2=O)CC1 409357221 PKFHMHZXWYVJFX-OQLLNIDSSA-N 441.322 3.883 0 40 IHAB C[C@@H]1Oc2ccc(C(=O)C3CCN(C(=O)N[C@H]4c5ccccc5C[C@@H]4C)CC3)cc2NC1=O 600920508 UPQQELQUJKPHPQ-PBPSECFOSA-N 447.535 3.944 0 40 IHAB CCc1cccc2c(C3CCN(C(=O)N[C@H]4C[C@H](C)N(c5cnn(C)c5)C4=O)CC3)c[nH]c12 608735643 YLZMCUVHDHGTQD-AOMKIAJQSA-N 448.571 3.547 0 40 IHAB CN1CCN(c2ncc([C@@H]3N(C)c4ccccc4C(=O)N3c3ccccc3Cl)cn2)CC1 639413861 QWKIPCGDUWBGMW-JOCHJYFZSA-N 448.958 3.677 0 40 IHAB COc1ccccc1CNC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 869447 FLYRSZGBGJURGP-UHFFFAOYSA-N 442.512 3.654 0 40 IHAB CC(=O)Nc1cccc(NC(=O)CSc2nnc3c(C)cc4cc5c(cc4n23)OCO5)c1 887074 NDSUZGLOSVDKDV-UHFFFAOYSA-N 449.492 3.609 0 40 IHAB O=C(NCc1ccc2c3c(cccc13)C(=O)N2)c1ccc(I)cc1 956944 BEZOOSPNPLIRNX-UHFFFAOYSA-N 428.229 3.940 0 40 IHAB CCOc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)cc1 1289732 PXKSZHVBELLBQP-OAHLLOKOSA-N 430.888 3.582 0 40 IHAB COC(=O)[C@](NNc1ccccc1)(NC(=O)c1ccc(Cl)cc1Cl)C(F)(F)F 2347374 WGVRURCMVDPVDG-MRXNPFEDSA-N 436.217 3.772 0 40 IHAB CCOc1ccc([C@H]2C(C(=O)OCC(C)C)=C(C)N=C3S[C@H](C)C(=O)N32)cc1OC 2463318 LZDIDLGNXREJNR-KUHUBIRLSA-N 432.542 3.942 0 40 IHAB COc1ccc(C(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)cc1OC 2475753 CPMXHXWMJMIWQJ-UHFFFAOYSA-N 446.481 3.755 0 40 IHAB CC(C)(C)c1ccc(C(=O)NCC(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)cc1 3259183 LBLBAEIVQJTZKX-UHFFFAOYSA-N 438.311 3.598 0 40 IHAB CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(OC[C@H]4CCCO4)cc3)sc2c1 3322362 BOKTUQDNUHXLGI-OAHLLOKOSA-N 432.523 3.510 0 40 IHAB Cc1cc2oc(=O)cc(COC(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)c2cc1C(C)C 3515960 ULSYBTJRMQYRHC-UHFFFAOYSA-N 449.912 3.883 0 40 IHAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=S)NCCCN(C)C)cc2c1 4131962 DXIFKLNJGQLLRJ-UHFFFAOYSA-N 426.586 3.512 0 40 IHAB O=C(NCc1ccc(F)cc1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(CC2CCCCC2)nn1 8298695 SRMNDNZGEIWKBG-HUVFLSCGSA-N 439.579 3.567 0 40 IHAB biogenic,in-vitro O=C(Nc1ccc(Br)cc1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 8661440 ITXWCELLFGIICJ-LBPRGKRZSA-N 429.361 3.550 0 40 IHAB CCOCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccc(O)c(OCC)c1 8845284 LNTXPLMFUYWRMB-HSZRJFAPSA-N 437.496 3.858 0 40 IHAB CC[C@@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)N1CCCCC1 8994298 GLRBRGKHYINNPQ-MUXOPTKESA-N 443.613 3.578 0 40 IHAB Cc1ccc(C2=NN(C(=O)Cn3nnc(-c4ccccc4C)n3)[C@H](c3ccco3)C2)cc1 9127745 KJSPLBITKVEIRH-NRFANRHFSA-N 426.480 3.928 0 40 IHAB COc1ccc(Cl)cc1-c1nnc2s/c(=C\c3ccccc3Br)c(=O)n12 9187905 KTJQLCZXYBMTEM-NVNXTCNLSA-N 448.729 3.790 0 40 IHAB O=C(COC(=O)c1ncc(Cl)c(Cl)c1Cl)c1cc2c3c(c1)CC(=O)N3CCC2 9244702 YPYBOLSMCKOXQE-UHFFFAOYSA-N 439.682 3.917 0 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Cc1ccc(C)c(N([C@H](C)C(=O)Nc2cccc(Br)c2)S(C)(=O)=O)c1 10330059 ZZFDRCCTWZCVQS-CQSZACIVSA-N 425.348 3.859 0 40 IHAB CCCCC[C@@H](C)NC(=O)CSc1ccc(S(=O)(=O)N2CCCCCC2)cn1 10399844 IYXHTMXVBLYQJJ-QGZVFWFLSA-N 427.636 3.823 0 40 IHAB COc1ccc(N2C[C@H](c3nc4ccccc4n3CC(=O)N3CCC(C)CC3)CC2=O)cc1 12062096 QADMEUCODMSIJP-LJQANCHMSA-N 446.551 3.824 0 40 IHAB CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CCC[C@@H](C)C3)cc2c1 12469794 PFYSSDAYXSPBCB-HOYKHHGWSA-N 442.567 3.947 0 40 IHAB Cc1cc(C(=O)CN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)c(C)n1CC(F)(F)F 12695833 HCMJULLORDMQQY-NRFANRHFSA-N 435.446 3.793 0 40 IHAB C[C@H](Oc1ccccc1)c1nc2ccccc2n1C[C@H](O)CN1C(=O)c2ccccc2C1=O 12800577 FRGRJQVDPGDRSM-ROUUACIJSA-N 441.487 3.833 0 40 IHAB COC(=O)Cn1c(S[C@H](C)C(=O)Nc2ccccc2C(C)C)nc2ccccc2c1=O 12821022 KNWIIPQMYGUJKP-OAHLLOKOSA-N 439.537 3.812 0 40 IHAB NC(=O)c1cc(-c2csc(NC(=O)CCCOc3ccc(Br)cc3)n2)c[nH]1 12889518 FXRRMCRMGKVJNN-UHFFFAOYSA-N 449.330 3.797 0 40 IHAB Cc1occc1-c1nnc(SCC(=O)c2ccc(F)cc2)n1CCCN1CCOCC1 13512601 JDTHZASEBDTQIU-UHFFFAOYSA-N 444.532 3.683 0 40 IHAB CC[C@H](C(=O)NCCSCc1ccccc1C)N(c1ccc(F)cc1)S(C)(=O)=O 13715573 FSXPXXRQGBXMID-HXUWFJFHSA-N 438.590 3.728 0 40 IHAB COc1ccc(O)c(C(=O)c2cc(-c3nc4ccccc4c(=O)[nH]3)n(C[C@@H]3CCCO3)c2)c1 14083595 XXTVHDWTXMBHBM-KRWDZBQOSA-N 445.475 3.516 0 40 IHAB O=C(Nc1nc(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)cs1)c1ccco1 15425203 IDHUOAAEXPDUAX-UHFFFAOYSA-N 430.917 3.533 0 40 IHAB COc1cc2c(cc1OC)CN(C(=O)COC(=O)c1ccc(-c3ccc(O)cc3)cc1)CC2 18407568 UJLFLCUZHTXHQU-UHFFFAOYSA-N 447.487 3.818 0 40 IHAB CCOC(=O)[C@@]1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCCN(Cc2cncn2CC)C1 19578625 OHAJZVVXTJCKQX-ZJSXRUAMSA-N 442.535 3.771 0 40 IHAB CN(C)c1ncc(-c2ccccc2F)c([C@H]2CCCN(C(=O)c3n[nH]c4c3CCCC4)C2)n1 19693921 BBIZXHAZOOMDSP-INIZCTEOSA-N 448.546 3.970 0 40 IHAB Cc1ncc(C(=O)NC2CCCCC2)c([C@H]2CCCN2CC(=O)Nc2ccc(F)cc2)n1 19766726 IUZRAGWMWMGFKR-OAQYLSRUSA-N 439.535 3.762 0 40 IHAB COC(=O)[C@](NC(=O)c1ccc(Cl)cc1Cl)(Nc1cc(C)ccn1)C(F)(F)F 19944146 IBGODQWFGQRTLC-MRXNPFEDSA-N 436.217 3.970 0 40 IHAB O=C(C[C@H]1C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3n21)Nc1ccc(F)c(Cl)c1 20103496 IRUSARGJGGKHKR-KUHUBIRLSA-N 442.878 3.924 0 40 IHAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)c1 20482254 SEVBMBLTYRRWPC-KRWDZBQOSA-N 425.510 3.905 0 40 IHAB CCCOc1ccccc1CCCNC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 22331295 ZPVLTHGCLOIWET-UHFFFAOYSA-N 438.977 3.644 0 40 IHAB Cc1cccc(N(CC(=O)NCCCc2cccc(OC(C)C)c2)S(C)(=O)=O)c1C 22340467 NNZUQZCNODYUEJ-UHFFFAOYSA-N 432.586 3.606 0 40 IHAB CC(C)c1ccccc1N(CC(=O)Nc1ccccc1C(=O)NC(C)(C)C)S(C)(=O)=O 22399700 SWQDDJNTDGHUCY-UHFFFAOYSA-N 445.585 3.743 0 40 IHAB CCSc1nnc(NC(=O)C2(S(=O)(=O)c3ccc(C)c(C)c3)CCCC2)s1 24765963 DDDQKJFXEQWCIR-UHFFFAOYSA-N 425.601 3.992 0 40 IHAB COC(=O)c1ccoc1CSc1nnc(N2CCCCC2)n1-c1ccccc1OC 25143491 GSZCGSFGMUIFTN-UHFFFAOYSA-N 428.514 3.938 0 40 IHAB CCc1c(C)sc2c1c1nc(-c3ccccc3)nn1c(=O)n2CC(=O)N1CCCCC1 32096524 CZOVPHIDHIMUJT-UHFFFAOYSA-N 435.553 3.656 0 40 IHAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NCc1ccccc1Cn1ccnc1 32865694 FZIPRAVWRLKCDW-UHFFFAOYSA-N 438.535 3.993 0 40 IHAB COC(=O)c1occc1COC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 32865956 VCWMECQSAJWCDM-UHFFFAOYSA-N 449.868 3.877 0 40 IHAB COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)N(C)Cc2nccn2C)cc1OC 32902643 DROYNWGGYGSCAJ-UHFFFAOYSA-N 431.496 3.562 0 40 IHAB Cc1c(NC(=O)C2CCN(Cc3ccccc3Cl)CC2)c(=O)n(-c2ccccc2)n1C 39763132 ZTCONGQFAIORRU-UHFFFAOYSA-N 438.959 3.989 0 40 IHAB Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4cccc(Cl)c4)[nH]c(=O)c32)c(C)c1 40399349 PFKPMRYEMDKZMW-OAHLLOKOSA-N 437.887 3.848 0 40 IHAB CC(=O)Nc1cc(-c2ccccc2)nn(CC(=O)Nc2cccc(C(F)(F)F)c2)c1=O 46079128 LFDPXXHQFJCPOR-UHFFFAOYSA-N 430.386 3.526 0 40 IHAB Cc1ccc(-c2csc(NC(=O)CN3C(=O)Cn4c(cc5ccccc54)C3=O)n2)cc1 48346090 PRFUQKDDDRFGKP-UHFFFAOYSA-N 430.489 3.694 0 40 IHAB CCN(Cc1ccccc1)C(=O)Cn1c(=O)n(-c2cccc(C)c2)c(=O)c2sccc21 57490042 VOGGCTLJCDZMJM-UHFFFAOYSA-N 433.533 3.571 0 40 IHAB O=C(CN1CCN(c2ccccc2O)CC1)N1c2ccccc2OC[C@H]1c1ccccc1 57585205 WCYLMWNMDQRWCT-QHCPKHFHSA-N 429.520 3.681 0 40 IHAB COc1cc(CN2CCC3(CC2)Nc2cc(Cl)ccc2C2=NCCN23)cc(OC)c1O 72327178 OONIKHQJBDODBZ-UHFFFAOYSA-N 442.947 3.543 0 40 IHAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC(c2nnc(C(F)(F)F)o2)CC1 77198104 OYLKFLHNABBCCO-UHFFFAOYSA-N 429.342 3.676 0 40 IHAB CC(C)[C@@H]1CN(CC(F)(F)F)CCN1CCCS(=O)(=O)c1ccc(Cl)cc1 95468502 CZRJCLUQOXNSQE-KRWDZBQOSA-N 426.932 3.708 0 40 IHAB CCOC(=O)C[C@@H](c1ccc(OCc2ccccc2F)cc1)c1oc(CO)cc(=O)c1O 96335752 RXNSPIVYCQRWPX-IBGZPJMESA-N 442.439 3.641 0 40 IHAB COc1ccc(-c2noc(CN(C)C(=O)COc3ccc(Cl)c(C)c3)n2)c(OC)c1 218942183 NPMSXTLFSNBKHF-UHFFFAOYSA-N 431.876 3.753 0 40 IHAB CCOc1ccccc1CCCNC(=O)[C@H](CC)N(c1ccc(C)c(C)c1)S(C)(=O)=O 219121910 ODBLLXWQIIFYOB-QFIPXVFZSA-N 446.613 3.996 0 40 IHAB CC[C@H](C(=O)Nc1ccc(OC)c(Cl)c1)N(c1ccc(OC)cc1)S(C)(=O)=O 220644317 RVSNXBPCKJCMGR-QGZVFWFLSA-N 426.922 3.541 0 40 IHAB CC[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O 220733496 AVYICCDNRDEORH-QGZVFWFLSA-N 438.933 3.603 0 40 IHAB CC[C@H](C(=O)n1cc(C(=O)OC)c2ccccc21)N(c1ccc(Cl)cc1)S(C)(=O)=O 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IHAB CSc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(Br)c(C)c2)cc1 224985752 OPMONXKIEFYOOG-UHFFFAOYSA-N 430.345 3.759 0 40 IHAB CCOC(=O)c1cc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)ccc1Cl 225568606 QROKIOMKYZMEHX-UHFFFAOYSA-N 436.917 3.554 0 40 IHAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1cccc(N(C)S(C)(=O)=O)c1 225686828 HDBDMJXFPPEOBQ-SFHVURJKSA-N 449.598 3.680 0 40 IHAB CCc1cc(Br)cc(C)c1NC(=O)CN(C1CCCCC1)S(C)(=O)=O 226056196 AQWAXJPCBXPQBK-UHFFFAOYSA-N 431.396 3.853 0 40 IHAB COc1cc(N)cc(Br)c1NC(=O)c1cccc(I)c1 227146736 JECROVIPSVTGTC-UHFFFAOYSA-N 447.070 3.897 0 40 IHAB O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 247724787 CZVLSYKJZKCMNO-XHHGLIPKSA-N 446.956 3.601 0 40 IHAB COC(=O)c1cnc(Nc2cc(C3CCN(C(=O)OC(C)(C)C)CC3)nc(C)n2)s1 257320548 VXIAGKXDLAJYTR-UHFFFAOYSA-N 433.534 3.886 0 40 IHAB CCCC[C@@H](CC)CNC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 260793255 MBTMZVGLMMVKRD-XMSQKQJNSA-N 430.570 3.976 0 40 IHAB COc1ccc(Nc2cccc3nc([C@@H]4CN(C(=O)Cc5ccco5)CCO4)cn23)cc1 306133105 MCBBTUXFGDNGRP-NRFANRHFSA-N 432.480 3.822 0 40 IHAB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 408600855 CVHIVCSJQQNDHT-SNVBAGLBSA-N 436.839 3.673 0 40 IHAB CCCNC(=O)C(=O)Nn1c(C(=O)Nc2cccc(Cl)c2)cc2cc(Cl)ccc21 408607743 OBOBHHVWMXXGKI-UHFFFAOYSA-N 433.295 3.797 0 40 IHAB COc1ccc(OC)c(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCCC3)c2)c1 408693515 YGAXSWRVWCZXCW-UHFFFAOYSA-N 448.541 3.529 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C)c2)C2CCCCC2)cc1OC 409006273 ZVQUWVMXXDFERO-UHFFFAOYSA-N 446.569 3.974 0 40 IHAB CCc1cccc(C)c1NC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 409120552 ZZVWPCVLKMXTDW-UHFFFAOYSA-N 425.348 3.725 0 40 IHAB Cc1nc(S/C(=C\c2cc(Br)c(O)c(Br)c2)C(=O)O)n[nH]1 409190848 RGZCZHXKDLDZRL-WTKPLQERSA-N 435.097 3.562 0 40 IHAB C[C@@H](NC(=O)c1ccc2cc[nH]c2n1)c1ccc(CNC(=O)c2ccc3cc[nH]c3n2)cc1 504854293 UVZSQOJRTQPJCU-OAHLLOKOSA-N 438.491 3.860 0 40 IHAB O=C(N=c1nc(-c2ccccc2)[nH]s1)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)o1 526052169 BEYARVRWKCRIQE-UHFFFAOYSA-N 445.909 3.959 0 40 IHAB CC(=O)N1CCc2ccc(S(=O)(=O)N3CCc4cc(C(C)(C)C)ccc43)cc2CC1 551467235 BKNKDJHYCPHNBH-UHFFFAOYSA-N 426.582 3.683 0 40 IHAB O=C(NC[C@@H]1CC[C@H]2CN(C(=O)c3cccnc3)c3ccccc3CN12)c1ccccc1 585110124 MQWFYDPIZKOVQD-GOTSBHOMSA-N 426.520 3.505 0 40 IHAB Cc1nc(N2CCN(C(=O)c3ccc(Br)s3)CC2)cc(C(F)(F)F)n1 585149312 JCRYIHWIYLQDQM-UHFFFAOYSA-N 435.269 3.590 0 40 IHAB CCCN1CCN(C(=O)c2ncc[nH]2)C[C@H](Cc2cccc(-c3ccccc3F)c2)C1=O 585172756 HQLHWFOKDGSAAA-FQEVSTJZSA-N 434.515 3.769 0 40 IHAB C[C@@](Cc1ccccc1)(NC(=O)NCc1cccc(N2CCOCC2)n1)c1ccccc1 1564622105 KOEGQBVDWBRGRA-SANMLTNESA-N 430.552 3.876 0 40 IHAB CCOc1ccc(S(=O)(=O)N(C(C)=O)c2ccc3oc(C)c(C(=O)OC)c3c2)cc1 645652 ATOJVTPBGCURSN-UHFFFAOYSA-N 431.466 3.668 0 40 IHAB O=C(CSc1nc2c(c(=O)n1-c1ccc(F)cc1)SCC2)Nc1ccc(F)cc1 755451 JNZLGRRVZAEJMO-UHFFFAOYSA-N 431.489 3.890 0 40 IHAB COc1ccc([C@@H]2CC(=O)c3cnc(N[C@H]4OC(=O)c5ccccc54)nc3C2)cc1OC 1407272 CHNZLKGVDWVTME-FPTDNZKUSA-N 431.448 3.688 0 40 IHAB CC1(C)CC(OC(=O)CCC(=O)OC2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1O 1872014 ZXDIQRGIYADNBI-UHFFFAOYSA-N 428.570 3.675 0 40 IHAB CCCNC(=O)c1c(N)n(-c2ccc(C(=O)OCCC)cc2)c2nc3ccccc3nc12 2378319 RNZHPVSGMSPTPJ-UHFFFAOYSA-N 431.496 3.863 0 40 IHAB CCNC(=O)COC(=O)c1cc(-c2ccc(OC)cc2)nc2c1c(C)nn2-c1ccccc1 3293480 GYWONKWUKBKMQT-UHFFFAOYSA-N 444.491 3.697 0 40 IHAB O=C(Nc1ccc2oc3ccccc3c2c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 3517059 VCKQYROSDHRWDZ-UHFFFAOYSA-N 436.489 3.859 0 40 IHAB COc1ccc([C@@H](NC(=O)Cc2cccs2)C(=O)Nc2ccc3c(c2)OCCO3)cc1 3614786 JKTUFJJXCCZDHK-JOCHJYFZSA-N 438.505 3.567 0 40 IHAB O=C(Cc1ccccc1)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccccc1 3654235 LSBIPBYZMTXCNF-UHFFFAOYSA-N 425.487 3.819 0 40 IHAB COc1cc(OC)cc(C(=O)N2CCN(c3ccc(NC(=O)C(C)(C)C)cc3)CC2)c1 8903414 WAMXYVUDNUPPQE-UHFFFAOYSA-N 425.529 3.651 0 40 IHAB CC(=O)[C@@H]1[C@H](C(=O)c2ccccn2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(C)ccc3N12 9015861 CTLOGBVHJCVBFC-PAHOUZJPSA-N 449.510 3.952 0 40 IHAB CCOc1cc(CNCCSc2nnnn2C)ccc1OCc1ccc(Cl)cc1 9194361 GGEFWYMQMNSQNT-UHFFFAOYSA-N 433.965 3.723 0 40 IHAB COc1cccc(-c2nnc3n(Cc4ccc(F)cc4)c(=O)c4ccccc4n23)c1OC 9252091 JNRLNGRJJFCOPU-UHFFFAOYSA-N 430.439 3.916 0 40 IHAB COc1cccc(C(=O)Nc2nnc(SCC(=O)Nc3cccc(C)c3)s2)c1OC 9369146 UZJUHTJLCDUPHH-UHFFFAOYSA-N 444.538 3.847 0 40 IHAB COc1cc2c(cc1OC)CN(C(=O)Nc1cccc(C(=O)NCc3cccnc3)c1)CC2 9420810 QKMWKKVZOJSTJS-UHFFFAOYSA-N 446.507 3.619 0 40 IHAB biogenic CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)OCC(=O)c2ccc[nH]2)c1 9468132 SBAMGXZVTMZXHJ-UHFFFAOYSA-N 432.885 3.533 0 40 IHAB O=C1NC2(CCCC2)C(=O)N1CCC(=O)N1CCCC[C@@H]1c1nc2ccccc2s1 9669667 KXZBSYUXMWEUCR-MRXNPFEDSA-N 426.542 3.605 0 40 IHAB CCn1c(S[C@@H](C(=O)N2CCOCC2)c2ccccc2)nnc1-c1ccccc1OC 9684659 CEBIZBQEVYQSLP-HXUWFJFHSA-N 438.553 3.666 0 40 IHAB O=C(CSc1nnnn1Cc1cccs1)N[C@H](c1ccc(F)cc1)c1cccs1 9746608 KPOIOCFVEOXXQN-GOSISDBHSA-N 445.570 3.981 0 40 IHAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2cc(Cl)c(OC)c(OC)c2)c1C 9817845 AXGCBALIHPHOOT-LBPRGKRZSA-N 437.876 3.907 0 40 IHAB O=C(NCCc1ccccc1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 9971957 KYUDUGURMVZCAG-LJQANCHMSA-N 445.494 3.790 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 10009687 BQNLSTFZKJXDBG-UHFFFAOYSA-N 430.507 3.978 0 40 IHAB Cc1nn(-c2ccccc2)c2ncc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c(Cl)c12 10220403 ULSNRKRCKHOBEP-UHFFFAOYSA-N 449.898 3.574 0 40 IHAB COc1cc(OC)c(NC(=O)COC(=O)CSc2ccc(F)c(F)c2)cc1Cl 10981475 FUQSPBUXKSUCFE-UHFFFAOYSA-N 431.844 3.909 0 40 IHAB Cc1ccnc(Nc2ccc(N3CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)nn2)c1 11696900 FLMHMCNEFQMIEY-UHFFFAOYSA-N 442.445 3.905 0 40 IHAB CCN(CC)C(=O)Cn1ncc2c3sc(C)cc3n(Cc3cccc(OC)c3)c2c1=O 12113496 CQOLWWNELGVXHT-UHFFFAOYSA-N 438.553 3.646 0 40 IHAB C[C@@H]1CCCC[C@H]1n1c(SCn2nnc3ccccc3c2=O)nnc1-c1cccnc1 12532216 FZJXJELKEJJQFU-DNVCBOLYSA-N 433.541 3.946 0 40 IHAB CN(c1ccccc1)S(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1 12541655 XQDFIUNEPOAECP-UHFFFAOYSA-N 438.477 3.591 0 40 IHAB O=C(Nc1ccc2c(c1)OC(F)(F)O2)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1 12752297 SXDJFONDFHXPCQ-MRXNPFEDSA-N 426.375 3.807 0 40 IHAB O=C(CCNC(=O)c1ccc(F)cc1F)Nc1ccc(N2CCc3sccc3C2)nc1 12775915 PFZASKIPDNVXQD-UHFFFAOYSA-N 442.491 3.743 0 40 IHAB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CCC(=O)c1ccc(F)cc1 12785281 MVJFFNVMQRBLES-UHFFFAOYSA-N 435.293 3.957 0 40 IHAB Cc1cccc(OS(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)c1C 12885470 ZCPQFLUNZRVINP-UHFFFAOYSA-N 425.293 3.924 0 40 IHAB CCOc1ccccc1OCC(=O)N(CC(=O)Nc1cccc(C)c1C)C[C@H]1CCCO1 13039654 KTADRUIHHKACRK-HXUWFJFHSA-N 440.540 3.727 0 40 IHAB Cc1cc(-c2cc(O)nnc2C2CCN(C(=O)Cc3ccc(F)cc3Cl)CC2)on1 13226305 ORKCOBKJCLXGHV-UHFFFAOYSA-N 430.867 3.887 0 40 IHAB COc1ccc(-c2nn(-c3ccccc3)cc2CNC[C@@H]2CN(CC(C)C)CCO2)cc1 13988035 SPESNTUJOWXZOG-RUZDIDTESA-N 434.584 3.994 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCCc2c[nH]c3ccccc23)cc1 14066393 LRMKHECNIFYEBJ-UHFFFAOYSA-N 449.532 3.950 0 40 IHAB O=C(N[C@H](CC(=O)N1CCN(c2ccccn2)CC1)c1ccccc1)c1ccccc1Cl 14136606 PSEHJHKXTIFDJH-JOCHJYFZSA-N 448.954 3.945 0 40 IHAB Cc1ccc(CN2C[C@@H](C(=O)Nc3cccc(I)c3)CC2=O)cc1 15305051 DHZKSZJQRUTSJQ-HNNXBMFYSA-N 434.277 3.587 0 40 IHAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CCCN(C)c2nc3ccccc3nc21 15607738 VHXBOYWNVBTKQE-JOCHJYFZSA-N 427.508 3.767 0 40 IHAB COc1ccc(NC(=O)[C@H]2CCCO2)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 15900380 GMMRLUNUJYKVLF-QGZVFWFLSA-N 445.324 3.920 0 40 IHAB Cc1ccccc1N1C(=O)c2ccc(C(=O)Nc3ccccc3C(=O)NC3CC3)cc2C1=O 16015154 TVAPLYOGCDWEPR-UHFFFAOYSA-N 439.471 3.940 0 40 IHAB CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(C)cc3C)c2)CC1 16031670 CZAOELJWXCOVMQ-UHFFFAOYSA-N 435.977 3.535 0 40 IHAB C[C@@]12CCC(=O)N1[C@@H](C(=O)/N=c1/sccn1Cc1ccc(Cl)cc1Cl)CS2 16044303 OOBBLBRPIGJGES-VWWNCTCRSA-N 442.393 3.786 0 40 IHAB C[C@H](OC(=O)c1ccccc1OCc1ccc(F)cc1)C(=O)Nc1sccc1C(N)=O 16053491 VQVJCIKDOIVNTR-ZDUSSCGKSA-N 442.468 3.749 0 40 IHAB COc1ccc(C(=O)Oc2ccccc2NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 16216378 ZDDOWWZNDMUCIP-SFHVURJKSA-N 430.460 3.906 0 40 IHAB CCCCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCO)cc1OC 16753568 FYOPBWZEMZHMGB-JOCHJYFZSA-N 437.492 3.908 0 40 IHAB CCNc1nn(CC(=O)Nc2ccc(C)cc2)c(N)c1-c1nc(-c2ccc(OC)cc2)no1 16844657 CEBLLPVPLUHVHE-UHFFFAOYSA-N 447.499 3.570 0 40 IHAB Cc1c(Cl)ccc2sc(N3CCN(C(=O)c4ccc5c(c4)OCCO5)CC3)nc12 16991274 HFGWOMWZXZSOOA-UHFFFAOYSA-N 429.929 3.992 0 40 IHAB C[C@@H](Sc1nnc([C@@H](C)Oc2ccccc2F)o1)C(=O)N1CC(=O)Nc2ccccc21 17040280 JVSOXRZAILJPMM-CHWSQXEVSA-N 442.472 3.815 0 40 IHAB O=C(CSc1nccn2nc(-c3ccccc3)cc12)N1CCN(c2ccc(F)cc2)CC1 17191729 JEGLWQJZSKTPDB-UHFFFAOYSA-N 447.539 3.976 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cc3nc(C)cc(C(F)(F)F)n3n2)cc1 19116949 DCCOXPMMVDZKLU-MRXNPFEDSA-N 440.447 3.591 0 40 IHAB Cc1nn(C)c(C)c1CCCNC(=O)c1sc2ccccc2c1[C@H]1CN(C)CCO1 19696723 YECNNTXRNSDCFX-LJQANCHMSA-N 426.586 3.617 0 40 IHAB O=C(NCC1CCCCC1)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 23055092 KJAGCHFDLPQAMJ-UHFFFAOYSA-N 432.508 3.803 0 40 IHAB COc1cc(COC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc(Cl)c1OC(F)F 24839602 RXACOJGEBOPQKR-UHFFFAOYSA-N 449.859 3.557 0 40 IHAB COc1ccc([C@@H]2CCCN2C(=O)C[C@H](NC(N)=O)c2ccc(Cl)cc2)cc1OC 25613015 MOBHPEFRXINQAI-ROUUACIJSA-N 431.920 3.820 0 40 IHAB COc1ccc(Cl)cc1NC(=O)c1ccn(Cn2nc(C)c(Br)c2C)n1 27973565 ABTNPFAEMRUMPI-UHFFFAOYSA-N 438.713 3.879 0 40 IHAB CN(CC(=O)Nc1cccc(F)c1)CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 31202471 BDXVCEWZKPVUBY-GOSISDBHSA-N 440.500 3.728 0 40 IHAB O=S1(=O)C[C@@H]2[C@H](C1)N=C(SCc1ccc(Cl)cc1)N2c1ccc(F)cc1F 32639690 BSNBFSHRGXFMEM-DOTOQJQBSA-N 428.913 3.893 0 40 IHAB COc1ccccc1N1C[C@H](C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)CC1=O 32721397 MVFCYSPGXLZFIO-RTBURBONSA-N 436.508 3.573 0 40 IHAB COc1ccccc1N1C[C@@H](C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)CC1=O 32721398 MVFCYSPGXLZFIO-OALUTQOASA-N 436.508 3.573 0 40 IHAB COC(=O)c1ccc2c(=O)n(CC(C)C)c(SCC[S@@](=O)c3ccccc3)nc2c1 32938027 IRPFKKAUDCBNTO-PMERELPUSA-N 444.578 3.739 0 40 IHAB COc1ccc(CCNC(=O)c2cc(C)c3c(c2)-c2ccccc2S(=O)(=O)N3C)cc1 33272010 DVCDRDNQBXDWOW-UHFFFAOYSA-N 436.533 3.782 0 40 IHAB biogenic COC(=O)c1ccccc1NC(=O)[C@@H]1CC(O)=Nc2c(C)c(-c3ccc(OC)cc3)nn21 35684870 WCIXJIGLYYOONA-SFHVURJKSA-N 434.452 3.825 0 40 IHAB COc1ccc(N([C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)S(C)(=O)=O)cc1Cl 36107378 UEPHVFGOMRQFHG-CHWSQXEVSA-N 428.913 3.520 0 40 IHAB COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N[C@H]1CCOc2ccccc21 36398186 QVGJQBXXPHLLJH-NRFANRHFSA-N 442.471 3.745 0 40 IHAB CCOC(=O)c1cccc(OC[C@@H](O)CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1 36437924 KOERXQFXIBCHEW-UNMCSNQZSA-N 441.524 3.601 0 40 IHAB CN(C(=O)Cn1c(=O)n(CCc2ccccc2)c(=O)c2ccccc21)c1cccc(Cl)c1 44839773 YRLKQLWPAIHVJB-UHFFFAOYSA-N 447.922 3.722 0 40 IHAB COc1cc(OC)c(NC(=O)CSc2cc(-n3nc(C)cc3C)ncn2)cc1Cl 49404221 ADPYASDLMDKIDZ-UHFFFAOYSA-N 433.921 3.681 0 40 IHAB COc1ccc(N2C(=O)N(Cc3cccc(OC)c3)S(=O)(=O)c3cccnc32)cc1 49420937 KTVKHLWURBZVLB-UHFFFAOYSA-N 425.466 3.561 0 40 IHAB O=C(NCC1(c2cccs2)CCCCC1)C(=O)Nc1cccc(N2CCCC2=O)c1 49521286 NBDNSHBNPNUGAD-UHFFFAOYSA-N 425.554 3.832 0 40 IHAB COc1ccc(N2C(=O)C[C@@H](c3cc(OC)ccc3OC)c3sc(=O)n(C)c32)cc1 49550013 SPZJKAOXVWITTD-KRWDZBQOSA-N 426.494 3.673 0 40 IHAB Cc1ccc(NC(=O)Cn2c(=O)n(CCc3cccs3)c(=O)c3sccc32)cc1F 57493933 NVUCYISBSQPWIA-UHFFFAOYSA-N 443.525 3.615 0 40 IHAB O=C(CNC(c1ccccc1)c1ccccc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 58160577 ISWFONOVBBYTPZ-UHFFFAOYSA-N 449.576 3.789 0 40 IHAB CN(C(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 60350879 YHVWFBKCVFRSDD-HXUWFJFHSA-N 440.487 3.508 0 40 IHAB COc1cc(/C=C/C(=O)N[C@H](C)C(=O)O)cc(Br)c1OCc1ccc(C)cc1 62715530 BGJJUNBRJDPXBA-MYSGNRETSA-N 448.313 3.948 0 40 IHAB CC(C)(C)c1nc(CN2CCC([C@@H]3CCCCCN3C(=O)C3CCOCC3)CC2)no1 69981917 BWWZLHYVDPLYIA-FQEVSTJZSA-N 432.609 3.777 0 40 IHAB N[C@H](C(=O)NCC1CCC(c2ccnc(Nc3ccc(F)cn3)n2)CC1)c1ccccc1 72380016 DCLRZWISRJFEIB-XWTGJVNOSA-N 434.519 3.844 0 40 IHAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1/C=C1\SC(=O)N=C1Nc1cccc(F)c1 72400811 JTYAHEHMLVKXBE-GESOSKEOSA-N 434.518 3.717 0 40 IHAB C[C@H](NC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)C(=O)Nc1cccc(O)c1 72406304 GNUIAKMWJBTTPN-ZDUSSCGKSA-N 437.327 3.558 0 40 IHAB O=C(NC1(c2nc(-c3cccnc3)no2)CCCCC1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 77197459 PYVUJCDKONLVFV-KRWDZBQOSA-N 449.486 3.599 0 40 IHAB CC(C)(Oc1ccc([C@@H]2CC2(Cl)Cl)cc1)C(=O)NCCc1nnc2ccccn12 79488260 WJSMNUTZWAQACY-INIZCTEOSA-N 433.339 3.907 0 40 IHAB COc1ccc(NC(=O)c2ccc3nnc([C@@H]4CCN(Cc5ccccc5)C4)n3c2)cc1 96156164 CGTUVWJURZYXNK-LJQANCHMSA-N 427.508 3.980 0 40 IHAB O=C(Cc1ccccc1)NN1C(=O)[C@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C1=O 101388414 DOCSXCUUPHNBIH-DXQXWHQDSA-N 436.511 3.999 0 40 IHAB O=C1[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1nn(Cc2ccc(Cl)cc2Cl)cc1Cl 102014683 AYJQHBAMAZERGP-AJNGGQMLSA-N 426.687 3.558 0 40 IHAB CC[C@@H](C(=O)N[C@H](CC)c1ccc(OC)c(OC)c1)N(c1ccccc1)S(C)(=O)=O 219088468 ZWLKQVJYGUDOGW-MOPGFXCFSA-N 434.558 3.516 0 40 IHAB CCOC(=O)c1ccc(C)c(NC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)c1 219703875 AJRUQTFZKDDDOJ-UHFFFAOYSA-N 440.521 3.584 0 40 IHAB C[C@@H](NC(=O)[C@@H](C)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O)c1ccc(F)cc1 220203600 WVERNXLTILBZAH-CHWSQXEVSA-N 432.439 3.876 0 40 IHAB C[C@H](C(=O)Nc1ccc(Br)cc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220443320 FPHMTRJGKAUNBA-SNVBAGLBSA-N 433.274 3.521 0 40 IHAB CN(Cc1nc(-c2cccc(Br)c2)no1)C(=O)CCc1ccc2c(c1)OCO2 222656220 KKPVALKOZJUOPU-UHFFFAOYSA-N 444.285 3.819 0 40 IHAB Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)N1c2ccccc2C[C@@H]1C 222781931 GESDHSOWNFBFOS-SFHVURJKSA-N 428.554 3.526 0 40 IHAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1cccc2ccccc12 222895302 OSZULVVBKXKXPR-QFIPXVFZSA-N 426.538 3.709 0 40 IHAB C[C@@H]1Cc2cc(Br)cc3c(=O)c(C(=O)NCc4ccc5c(c4)OCO5)cn1c23 223107461 MAQNZDDAVHPSLS-LLVKDONJSA-N 441.281 3.540 0 40 IHAB Cc1cccc(C)c1N(Cc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2O)cc1)S(C)(=O)=O 223532352 YPTSQAOMYMPFGH-FGZHOGPDSA-N 444.597 3.645 0 40 IHAB Cc1cc(C)cc(OCCNC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)c1 224084397 FCVBSJOAAJHMIA-UHFFFAOYSA-N 444.578 3.999 0 40 IHAB CCc1ccc(N(CCCC(=O)NCCOc2ccc(C)c(C)c2)S(C)(=O)=O)cc1 224747886 ULNJMCGSSPNOGJ-UHFFFAOYSA-N 432.586 3.607 0 40 IHAB O=C(NCCSC1CCCC1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 224945919 LGIYQYZGRQKNLJ-QGZVFWFLSA-N 445.050 3.674 0 40 IHAB CCc1ccc(OCC(=O)N(Cc2cccc(OC)c2)[C@@H](C)C(=O)N[C@@H](C)CC)cc1 225371297 FQYICFVHNSTVSK-OALUTQOASA-N 426.557 3.968 0 40 IHAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2ccc(-n3ccnc3)cc2)cc1 225391540 KWLLDTIFSGDGDO-HAHDFKILSA-N 442.475 3.561 0 40 IHAB CC1(C)C[C@@H](NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c2ccccc2O1 225538062 ZXVYSNFGGOIYDS-OXQOHEQNSA-N 446.544 3.645 0 40 IHAB COc1ccc(CC(=O)N2CCC(c3n[nH]cc3C(=O)N3[C@H](C)CCC[C@H]3C)CC2)cc1 257293898 QRQNSAOQFQGBIB-QZTJIDSGSA-N 438.572 3.770 0 40 IHAB CCN(CC)S(=O)(=O)N1CCC[C@H](c2cc(Nc3ccc(OC)cc3)cc(C)n2)C1 257318339 VNMLUVPFQHDALU-SFHVURJKSA-N 432.590 3.908 0 40 IHAB Cc1ccc(Cc2cc(C)nc([C@H]3CN(C(=O)c4cnc(N(C)C)nc4C)CCO3)c2)cc1 257337638 YTRMTZCOSPMSTN-XMMPIXPASA-N 445.567 3.667 0 40 IHAB C[C@H](NC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)c1ccccc1 409060782 XZUPNPUKPVFDRW-SFHVURJKSA-N 426.513 3.894 0 40 IHAB Cc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3cccc(C)c3)[C@H]2c2ccc(Cl)cc2)cc1 409064247 BUULJJIFMJFRJN-VNGKGULCSA-O 432.931 3.973 0 40 IHAB NC(=O)C1CCN(C(=S)c2cn(CCOc3ccccc3F)c3ccccc23)CC1 409197838 PWIFYIFRNYAXJX-UHFFFAOYSA-N 425.529 3.732 0 40 IHAB C[C@@H](NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1ccccc1 409390760 LIUQWOCMKPAOKT-MRXNPFEDSA-N 428.485 3.883 0 40 IHAB CC1(C)CC[C@@H]2C[C@H](NC(=O)NCc3ccc([C@]4(C)NC(=O)NC4=O)cc3)c3cccc1c32 537364627 ZHBPJQJMLLNLPF-AUYISRGKSA-N 446.551 3.840 0 40 IHAB Cc1cc2n(n1)C1(CCN(Cc3cccc(OC(F)F)c3)CC1)CC(=O)N2CC1CC1 1772596530 PSCYVPVFYIQKAA-UHFFFAOYSA-N 430.499 3.931 0 40 IHAB CC(C)CNS(=O)(=O)c1ccc2nc(NC(=O)c3cccc(N(C)C)c3)sc2c1 937620 FOSWLYQSFTWGLY-UHFFFAOYSA-N 432.571 3.549 0 40 IHAB Cc1cc(C)cc(N(C(=O)c2csnn2)[C@H](C(=O)NC2CCCC2)c2ccccn2)c1 1357576 BLEAWPOOXUQBHU-NRFANRHFSA-N 435.553 3.997 0 40 IHAB COc1cc2c(cc1OC)[C@H](c1c(O)n(-c3ccccc3Cl)c(=S)[nH]c1=O)NCC2 2231062 NAUHLXURWLPRPY-GOSISDBHSA-N 445.928 3.506 0 40 IHAB Cc1nn(-c2ccccc2)c2c1cc1c(=O)[nH]c(=O)nc-1n2-c1cccc(C(F)(F)F)c1 2256288 DYLFFXXKKUJKJE-UHFFFAOYSA-N 437.381 3.692 0 40 IHAB COc1cc2[nH]c3c(N4CCN(C/C=C/c5ccccc5)CC4)ncnc3c2cc1OC 2417590 DDHCTMXZQBYMSE-RMKNXTFCSA-N 429.524 3.964 0 40 IHAB COc1ccc(OC)c([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nncs2)c1 2431696 YBOAGRRSZVZAJW-GOSISDBHSA-N 435.461 3.720 0 40 IHAB COc1ccccc1Cn1c(N)c(C(=O)OC[C@H]2CCCO2)c2nc3ccccc3nc21 2436257 GZCUWYRSQYHOPO-MRXNPFEDSA-N 432.480 3.559 0 40 IHAB CCOC(=O)CN1C(=O)S/C(=C\c2cccn2-c2ccc(Br)cc2)C1=O 2993031 YJLCNFNUZLPIKF-GDNBJRDFSA-N 435.299 3.839 0 40 IHAB O=C(CSC1=N/C(=C\c2ccco2)C(=O)N1c1ccc(OC(F)F)cc1)NC1CC1 3363059 MSPGYSVQOUZKDE-YBEGLDIGSA-N 433.436 3.637 0 40 IHAB CCn1c(COc2ccc(=O)n(-c3ccccc3)n2)nnc1SCc1ccc(OC)cc1 8666974 NZAQJUYISUOJNK-UHFFFAOYSA-N 449.536 3.724 0 40 IHAB CC(C)(C)C(=O)COC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 8825016 KZTMBHQAOYLXIU-UHFFFAOYSA-N 441.908 3.730 0 40 IHAB CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)OCC(=O)OC(C)(C)C)c1 9120001 XIQACLZSMZUTGM-UHFFFAOYSA-N 439.917 3.664 0 40 IHAB CCc1nnc2n1N[C@H](c1ccc(Cl)cc1)[C@H](C(=O)Nc1ccccc1OC)S2 9239268 RUXIBTQKNSMWBW-QZTJIDSGSA-N 429.933 3.900 0 40 IHAB COc1ccc(OC)c([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cc(C)on2)c1 9447342 FHCWNBCCIHTCLB-FQEVSTJZSA-N 436.395 3.996 0 40 IHAB CSc1ccc(NC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1 10865845 KOEOOEHOJVLXKM-UHFFFAOYSA-N 436.463 3.720 0 40 IHAB COc1cc(C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc(Cl)c1OCC(N)=O 11076043 YNNPBPXZUWAUQE-UHFFFAOYSA-N 439.899 3.624 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1ccccc1F 11435296 LEQSDFMVDSSBBF-UHFFFAOYSA-N 438.546 3.740 0 40 IHAB COc1ccc(CCNC(=O)[C@H]2C[C@@H]3CC[C@@]2(C)C[C@]32NC(=O)c3ccccc3N2)cc1 12142466 JFVRXAQSODJUJU-UNKRFLAVSA-N 433.552 3.732 0 40 IHAB COc1ccccc1CC(=O)NCCn1ncc(-c2cc(C)no2)c1-c1ccc(C)nc1 12223181 OXVGKYNDGFDOFV-UHFFFAOYSA-N 431.496 3.584 0 40 IHAB CCN(Cc1cccc(F)c1)C(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12 12591745 FDVNCSDGSJNQRQ-UHFFFAOYSA-N 429.517 3.969 0 40 IHAB COc1ccc2cc([C@]3(C)NC(=O)N(C[C@@H](O)COc4c(C)cccc4C)C3=O)ccc2c1 12748351 DLYTZJZWQHZBAE-RLWLMLJZSA-N 448.519 3.672 0 40 IHAB COc1cc(/C=C/C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc(Cl)c1OC 12773089 ZCILIXLLMDTPPB-VQHVLOKHSA-N 438.933 3.568 0 40 IHAB CC(C)Cn1c(SCCC(=O)NC(=O)NCc2ccccc2)nnc1-c1ccco1 12810486 XJNGIYGCMGUSMV-UHFFFAOYSA-N 427.530 3.702 0 40 IHAB COc1cc2c(cc1/C=C/C(=O)N1CCC(C(=O)N3CCCCCC3)CC1)O[C@@H](C)C2 12899215 OTNIHCOGYXLSMP-DVBCCOPCSA-N 426.557 3.673 0 40 IHAB O=C(NCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccc(Cl)cc1Cl 12978641 OSOVJZTUMJTHJB-UHFFFAOYSA-N 434.323 3.601 0 40 IHAB O=C1CCCN1c1ccc(CNS(=O)(=O)c2ccc(Br)cc2Cl)cc1 13007041 ZCYCIFAHTFHKAI-UHFFFAOYSA-N 443.750 3.708 0 40 IHAB COc1ccc(C(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)cc1S(=O)(=O)NC1CC1 13022677 GVEKQBYDXBUPBB-LLVKDONJSA-N 443.352 3.934 0 40 IHAB Cc1csc(NC(=O)CSc2nnc3n(C4CCCC4)c(=O)c4ccccc4n23)n1 13086588 ZAGDAAYRTSTPNU-UHFFFAOYSA-N 440.554 3.655 0 40 IHAB O=C(/C=C/c1cccc(Cl)c1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 13137121 RUCUXAUWOQPBSZ-RUDMXATFSA-N 425.337 3.540 0 40 IHAB CC[C@H](C(=O)NCCSCc1ccc(Cl)cc1)N(c1ccccc1)S(C)(=O)=O 13711177 IEKRAIHJBIKSKH-LJQANCHMSA-N 441.018 3.934 0 40 IHAB COc1cc2c(cc1OC)CN(C(=O)CSc1nc(/C=C/c3cccs3)n[nH]1)CC2 14334995 BBKLBZPAYVXNSQ-AATRIKPKSA-N 442.566 3.731 0 40 IHAB COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1Cc1nc(-c2ccc(C)cc2)no1 15449516 PTKILRALUKIBIU-LJQANCHMSA-N 437.496 3.725 0 40 IHAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(Cl)ccc2Cl)cc1Cl 16188112 FDSFXIVXJHHNQC-UHFFFAOYSA-N 437.732 3.915 0 40 IHAB COc1cccc(-n2c(-c3ccccc3)cc(C(=O)NCCCN3CCOCC3)c2C)c1 16531875 GWYAKJBGTXPKSK-UHFFFAOYSA-N 433.552 3.913 0 40 IHAB CN1CCN(c2ccc(NC(=S)NC(=O)Cc3ccc(Cl)cc3)cc2Cl)CC1 17101233 SFXBGNFCBKHOEI-UHFFFAOYSA-N 437.396 3.801 0 40 IHAB CCOC(=O)c1cnn2c1N[C@H]([C@@H]1CCCN(C(=O)C3CCCC3)C1)C[C@@H]2C(F)(F)F 19530906 GQXCVLDKYJQCFJ-HYVNUMGLSA-N 442.482 3.776 0 40 IHAB O=C(CN1CCC2(CC=CCN(CCc3ccccc3)C2=O)CC1)Nc1ccc(F)cc1 19744737 GJASFJPVIMRBMC-UHFFFAOYSA-N 435.543 3.878 0 40 IHAB Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccccc1)N(CCCN1CCOCC1)C3=O 20308756 OYPUXNZYARGQLL-HSZRJFAPSA-N 432.520 3.677 0 40 IHAB COCCCNC(=O)c1ccccc1NC(=O)[C@H](C)Sc1ccc(OC)c(OC)c1 20493084 OZNMOCZHXGIGTF-HNNXBMFYSA-N 432.542 3.589 0 40 IHAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 22331394 VUINKOKNKSRTRA-GOSISDBHSA-N 436.961 3.833 0 40 IHAB CS(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1Cl 22509904 RAVQVBLCDXRJGE-UHFFFAOYSA-N 435.933 3.590 0 40 IHAB Oc1c([C@H](c2cccc(F)c2)N2CCN(c3ccccc3F)CC2)sc2ncnn12 22609593 AGWTTZQSSSARQQ-SFHVURJKSA-N 427.480 3.686 0 40 IHAB Cc1nc2sc([C@@H](c3cccc(F)c3)N3CCN(Cc4ccccc4)CC3)c(O)n2n1 22852785 NKLNZTLMWKKUQC-HXUWFJFHSA-N 437.544 3.851 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)oc4c(C)c(C)ccc34)CC2)cc1C 23864971 DYJCWCSYPYOWNH-UHFFFAOYSA-N 440.565 3.533 0 40 IHAB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)CSc1nc2ccccc2s1 24756143 FENWGAGZKGIUPP-UHFFFAOYSA-N 442.566 3.834 0 40 IHAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COc1cccc(I)c1 24983555 VMIJIZNQVCKMKE-UHFFFAOYSA-N 427.238 3.675 0 40 IHAB O=C(c1ccccc1Cl)N(Cc1ccc(Br)o1)[C@@H]1CCS(=O)(=O)C1 27662882 HZUVHBLSMNJWEM-LLVKDONJSA-N 432.723 3.525 0 40 IHAB O=C(Cc1csc(COc2ccc(F)cc2)n1)N1CCN(Cc2ccccc2)CC1 28087083 PPKWMXLYRGLSGO-UHFFFAOYSA-N 425.529 3.748 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)CCc2ccccc2)c(C)c1 28207812 BPDZPFDZQMFTKX-IBGZPJMESA-N 432.586 3.542 0 40 IHAB COc1cc2c(cc1NC(=O)[C@H](C)NC1=NS(=O)(=O)c3ccccc31)oc1ccccc12 28315918 XNNUZBNZHBWPIY-ZDUSSCGKSA-N 449.488 3.660 0 40 IHAB C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)Nc1ccccc1OC(F)F 29755326 ZIJGOXNRUAVHGR-QFIPXVFZSA-N 429.423 3.616 0 40 IHAB CCOC(=O)Cc1nnc(SCc2nc(-c3ccc(F)cc3)no2)n1Cc1ccco1 29987548 TUAHSDAOMMTWNF-UHFFFAOYSA-N 443.460 3.506 0 40 IHAB O=C(Nc1ccc(F)cc1)N1CCN(C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)CC1 30257298 NFBCUELZEDFKKL-UHFFFAOYSA-N 444.894 3.596 0 40 IHAB CCNC(=O)c1cc(S(=O)(=O)N[C@H](CC(C)C)c2ccc(OC)cc2)ccc1OC 30853908 MUQUIZSYMRAGSV-HXUWFJFHSA-N 434.558 3.519 0 40 IHAB CS(=O)(=O)N(CC(=O)Nc1ccccc1Br)c1ccc(F)c(Cl)c1 33381782 RBEPNPFZUSTVLD-UHFFFAOYSA-N 435.702 3.646 0 40 IHAB O=C(NCc1cc(=O)n2nc(-c3ccccc3)sc2n1)c1ccccc1C(F)(F)F 41089841 MXDABKVKGSZQRW-UHFFFAOYSA-N 430.411 3.767 0 40 IHAB COc1ccc(Cc2nnc(C3CCN(CC(=O)Nc4nc(C)cs4)CC3)s2)cc1 49367145 YRGCQGACFGJLNM-UHFFFAOYSA-N 443.598 3.721 0 40 IHAB O=C(CSc1nc2ccsc2c(=O)n1-c1ccccc1F)NCc1ccccc1 57487486 JIEZHLQRKGUZDI-UHFFFAOYSA-N 425.510 3.995 0 40 IHAB CC(=O)NCc1ccc(C(=O)Nc2nc(-c3ccc([C@@H](C)NC(C)=O)cc3)cs2)cc1 58310986 JGIGTQUAUPRCAA-CQSZACIVSA-N 436.537 3.896 0 40 IHAB CC(=O)Nc1cc(C(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)ccc1C 58381026 GEDIAMUHEAVYJB-UHFFFAOYSA-N 434.323 3.858 0 40 IHAB COc1ccc(NC(=O)[C@H](C)Nc2cccc(N3CCN(CC4CC4)CC3)c2)cc1OC 60036477 MDGOPZUQICULAH-SFHVURJKSA-N 438.572 3.675 0 40 IHAB COc1ccc([C@H]2CC(=O)Nc3c(C(=O)O)cn(-c4cc(F)cc(F)c4)c32)cc1OC 61717946 XAOOFZIZZYTCSG-OAHLLOKOSA-N 428.391 3.945 0 40 IHAB COc1ccc([C@@H](C)NC(=O)CCc2nc(-c3cc4ccc(C)cc4[nH]c3=O)no2)cc1 64789924 PXEJZKJTZCTVSL-OAHLLOKOSA-N 432.480 3.705 0 40 IHAB Cc1onc(-c2ccccc2Cl)c1C(=O)NCCn1cnc(-c2ccccc2)cc1=O 70655838 NHGQPVUCUYQKEB-UHFFFAOYSA-N 434.883 3.957 0 40 IHAB NC(=O)[C@@H]1CC(C(=O)Nc2cccc(-c3ccc4ccccc4c3)n2)=NN1c1ccccc1 72273720 URFCCOFOEOORHZ-QHCPKHFHSA-N 435.487 3.961 0 40 IHAB Cc1cccc(Nc2ccc([C@H]3CCCN(S(=O)(=O)c4c(C)noc4C)C3)nc2)n1 72353441 BAPJBWHXLGXMRA-KRWDZBQOSA-N 427.530 3.702 0 40 IHAB CCN(CC)S(=O)(=O)N1CCCC[C@@H]1Cc1c(C(=O)N(C)C)sc2ccccc12 72370449 KDPQEPFGWWUNTK-MRXNPFEDSA-N 437.631 3.587 0 40 IHAB COc1cccc2[nH]c(C(=O)N3CCC[C@H](c4cc(C(F)(F)F)n5ncnc5n4)C3)cc12 72393667 ROXNLFNVYJOIJZ-LBPRGKRZSA-N 444.417 3.653 0 40 IHAB COc1ccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2)cc1S(=O)(=O)N1CCCCC1 89636889 KKFWNBQVEFUVGB-QGZVFWFLSA-N 432.542 3.584 0 40 IHAB Cn1ccc2c(NC(=O)C3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)cccc21 95475407 OPWCYBZGWXLJCS-UHFFFAOYSA-N 431.945 3.871 0 40 IHAB Cc1cc(C)n2nc(SCc3ccccc3C(=O)N3CCO[C@@H](C(C)C)C3)nc2n1 95994535 CJFRYEWZWXKQLQ-LJQANCHMSA-N 425.558 3.530 0 40 IHAB Cc1nc(CN2CCC(C(=O)OCc3cn(-c4ccc(Cl)cc4)nn3)CC2)cs1 96004188 AQSBMJQBSSAVAK-UHFFFAOYSA-N 431.949 3.641 0 40 IHAB O=C(Nc1ccc(F)cc1)C(=O)[C@@H](C(=O)c1ccccc1F)[C@H]1OC(=O)c2ccccc21 102954128 ZYJQFBBLXRBNSA-KNQAVFIVSA-N 435.382 3.883 0 40 IHAB CC[C@H](C(=O)NCc1ccc(Cl)cc1Cl)N(c1ccc(OC)cc1)S(C)(=O)=O 220641786 PYLBYLXWNOIWPY-GOSISDBHSA-N 445.368 3.863 0 40 IHAB Cc1ccccc1N(CCCC(=O)Nc1ccccc1C(=O)NC(C)(C)C)S(C)(=O)=O 222557631 LBZOFMNLVXBRON-UHFFFAOYSA-N 445.585 3.708 0 40 IHAB COc1ccc(NC(=O)CCCN(c2ccccc2OC)S(C)(=O)=O)cc1Cl 222579689 JNQHUKCNJVAVAX-UHFFFAOYSA-N 426.922 3.542 0 40 IHAB COc1ccc(N(C)C(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc2C)cc1 222798693 UQZLTLHAZJGOBP-UHFFFAOYSA-N 440.521 3.846 0 40 IHAB CC(C)(C)CC(C)(C)NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 223994497 NVSWYVJPYXNRLC-HXUWFJFHSA-N 430.570 3.974 0 40 IHAB Cc1nn(C)c(C)c1C(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1)CC2 225884212 XMIXFUMPHRRQTL-UHFFFAOYSA-N 444.944 3.694 0 40 IHAB C[C@@H]1Cc2ccccc2N1C(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1 226007467 JXJNCWHGTHTWEG-GOSISDBHSA-N 438.524 3.994 0 40 IHAB Cc1ccc(F)c(S(=O)(=O)N2CCC(c3cc(Nc4ncccn4)cc(C)n3)CC2)c1 257203435 AQAQUJWVHGKVRY-UHFFFAOYSA-N 441.532 3.939 0 40 IHAB CCc1nccn1-c1cccc([C@@H]2CCCN2C(=O)CCNc2ncnc3ccccc23)n1 257283254 OXLZYWIFAPHEEC-NRFANRHFSA-N 441.539 3.939 0 40 IHAB CCN(CC)CCCNC(=O)c1nc(-c2ccn(Cc3cccnc3)c2)n2ccccc12 306145012 ZUQORKUZHVGDCF-UHFFFAOYSA-N 430.556 3.708 0 40 IHAB COC(=O)c1ccc(Cl)c(NC(=O)CSc2nnc3c(n2)[nH]c2ccccc23)c1 408556717 LFSASPPWYGCRSN-UHFFFAOYSA-N 427.873 3.677 0 40 IHAB CCc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 408654918 GYVJEUOCIBFRNJ-BGYRXZFFSA-N 432.476 3.500 0 40 IHAB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cccn2-c2ccc(Br)cc2)C1=O 409103407 WKNZZIBMMKIHJP-KBVGCWLLSA-N 435.299 3.838 0 40 IHAB Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)N[C@@H](C)c1ccccc1 409391378 NUXSQFDRUDPBSW-IBGZPJMESA-N 438.549 3.730 0 40 IHAB O=C1CCCN1CCN[C@H]1CCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CC(=O)N2Cc1ccccc1 585261759 HVJCFCKIVCIFNH-JHXDXHAQSA-N 445.607 3.952 0 40 IHAB COc1cc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3ncnn32)cc(OC)c1OC 646433 SGIXCBQIWNESFK-HXUWFJFHSA-N 435.484 3.540 0 40 IHAB COc1ccc2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=S)NCc3ccccc3)cc2c1 880085 VHLQKKNCLZFGAC-OAQYLSRUSA-N 437.565 3.592 0 40 IHAB CC(=O)c1ccc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3)n2C)cc1 933594 ZLIDXNRTZJQNQJ-UHFFFAOYSA-N 430.917 3.981 0 40 IHAB Cc1ccc2c(c1)cc(CN(Cc1ccco1)C(=O)COc1ccccc1)c1nnnn12 1377010 DJYCSZBSFTYFEZ-UHFFFAOYSA-N 427.464 3.787 0 40 IHAB COc1ccc(C=C(C(=O)NCc2ccccc2)C(=O)NCc2ccccc2)cc1OC 3226220 YNXBHBFSAVFEHZ-UHFFFAOYSA-N 430.504 3.720 0 40 IHAB Cc1ccc(-n2nc(C)cc2NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 3234323 QTDPFBUUZSLMLM-UHFFFAOYSA-N 438.553 3.916 0 40 IHAB COc1cc(NC(=O)c2cccs2)c(C(=O)OCC(=O)Nc2ccccc2)cc1OC 3242814 KOUVCHMBHCTRQH-UHFFFAOYSA-N 440.477 3.813 0 40 IHAB O=C(CSc1nc2ccccc2c(=O)n1CCc1ccc(F)cc1)NCC(F)(F)F 3450049 IIHQBNJZAPSJOM-UHFFFAOYSA-N 439.434 3.549 0 40 IHAB CC1=C(C(N)=O)[C@@H](c2ccccc2Cl)N2NC(SCc3ccccc3F)=NC2=N1 4574835 XDPGFVIUMIDFTN-QGZVFWFLSA-N 429.908 3.759 0 40 IHAB O=C(Nc1ccc2c(c1)OCCO2)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 6146995 OBLXORKGOMQXFH-UHFFFAOYSA-N 428.441 3.650 0 40 IHAB Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CCCCC3)cc2c1 6300825 UWOZHMNKOGSNRC-QHCPKHFHSA-N 446.530 3.894 0 40 IHAB COC[C@@H](C)n1c(C)cc(C(=O)CN2C(=O)N[C@]3(CCCCc4ccccc43)C2=O)c1C 8719105 YFOLKIGUROWNRM-NSYGIPOTSA-N 437.540 3.669 0 40 IHAB CCCCCNC(=O)[C@H](CC(C)C)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 8789871 PSOZGBXLJXJJBO-CPJSRVTESA-N 438.572 3.925 0 40 IHAB biogenic Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)C(C)C)CC3)cc2)c(C)c1 9471646 OKIIFKCADHEHHC-UHFFFAOYSA-N 438.597 3.735 0 40 IHAB Cc1ccc(Cn2c(=O)c3c(nc4n3C[C@@H](C)CN4c3cccc(Cl)c3)n(C)c2=O)cc1 9519250 XBUPSBGUPSWTDN-INIZCTEOSA-N 449.942 3.695 0 40 IHAB CC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C 9532729 GGGALKDILAFVDL-GOSISDBHSA-N 428.945 3.544 0 40 IHAB COc1ccccc1N(CC(=O)NCc1ccccc1C)S(=O)(=O)c1ccc(C)cc1 9600868 NJVNLQODHGBUIQ-UHFFFAOYSA-N 438.549 3.824 0 40 IHAB CC(=O)N/C(=C\c1ccccc1)C(=O)OCc1csc(CC(=O)Nc2ccccc2C)n1 9633881 PZKXJJWHZLTUGJ-MTJSOVHGSA-N 449.532 3.853 0 40 IHAB O=C(CNc1ccc(SC(F)F)cc1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 10179343 WFFCMKQDHVDDGU-MRXNPFEDSA-N 426.510 3.634 0 40 IHAB Cc1cccc(-c2nc(C)c(CCNS(=O)(=O)c3ccc4c(c3)OCCO4)s2)c1 12140180 MBJCBBDEVCVLEN-UHFFFAOYSA-N 430.551 3.719 0 40 IHAB CN1C[C@@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)C[C@H]1c1nc(-c2ccncc2)no1 12529846 HQMIXPUDHCNGHC-HOTGVXAUSA-N 432.406 3.717 0 40 IHAB biogenic,in-vitro Cc1cccc(-n2ccnc2S[C@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c1 12627293 XGIIHDVXWVVIRL-MRXNPFEDSA-N 444.582 3.550 0 40 IHAB O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)NCCCOCc1ccccc1 12733977 INAZNTMHRSXOCI-UHFFFAOYSA-N 433.533 3.848 0 40 IHAB CC[C@@H](NC(=O)Cn1nc(-c2ccc(F)cc2)oc1=O)c1ccc(Br)cc1 12762511 QRLQTRCLKDVKKS-MRXNPFEDSA-N 434.265 3.672 0 40 IHAB C[C@H](OC(=O)c1c(F)cccc1F)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 12785068 UTMLUNOUAXEYAV-VIFPVBQESA-N 428.313 3.514 0 40 IHAB O=C(CN1C(=O)C(=O)N(CCc2cccs2)C1=O)Nc1ccccc1Oc1ccccc1 13004631 JBWIKIQWAHEFRK-UHFFFAOYSA-N 449.488 3.512 0 40 IHAB COc1ccc(CNc2nc(CN3CCOCC3)nc3sc(C)c(C)c23)cc1OC 13117603 CMLQAQSOGBDOCS-UHFFFAOYSA-N 428.558 3.770 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2-n2cc[n+](CCC(C)C)c2)cc1 13496728 WCILEDLGBSQWLI-UHFFFAOYSA-N 436.561 3.863 0 40 IHAB COC(=O)c1ccc(Cl)c(NC(=O)CSc2nnc(COc3ccccc3)[nH]2)c1 14152583 HHSIAPZXVUNSDK-UHFFFAOYSA-N 432.889 3.555 0 40 IHAB Cc1cc(C(=O)CN2CCN(C(=O)C3CC3)CC2)c(C)n1CCc1ccc(Cl)cc1 14202183 NYLCWOYBLMUPHJ-UHFFFAOYSA-N 427.976 3.738 0 40 IHAB CCCCn1nc(C)c(NC(=O)c2cccc(NC(=O)c3ccc4[nH]c(=O)[nH]c4c3)c2)c1C 14405521 UELWLSUXERUNNB-UHFFFAOYSA-N 446.511 3.974 0 40 IHAB CC[C@@H]1C(=O)N(c2ccc(C)cc2)C(=O)[C@@H]2C(=O)Oc3ccc(Br)cc3[C@H]12 15305213 JYGFBQOMAKQUPL-JCGIZDLHSA-N 428.282 3.976 0 40 IHAB CCCCNS(=O)(=O)c1cccc(NC(=O)c2[nH]c(C)c(C(=O)OC(C)C)c2C)c1 15537705 RICLATAUBUTXTC-UHFFFAOYSA-N 435.546 3.527 0 40 IHAB C[C@H](CC(=O)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1)c1ccccc1 15743890 YWYITCXOYNOKPA-MRXNPFEDSA-N 440.487 3.732 0 40 IHAB Cc1cc(Br)ccc1NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1F 16086025 SVEZHQLCAOVDEZ-UHFFFAOYSA-N 449.729 3.809 0 40 IHAB O=C(Cc1csc(Nc2ccccc2)n1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 16850042 GXFHEPBGZZUEQR-UHFFFAOYSA-N 436.537 3.502 0 40 IHAB COc1ccc([C@H]2S[C@H](C)C(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC 17197816 ZRSWUJMCGVEDDR-IQMFZBJNSA-N 439.537 3.669 0 40 IHAB CCOc1ccc(C(=O)[C@@H](C)OC(=O)CCc2c(C)nc3nc(SC)nn3c2C)cc1 17218392 ZCSUTGSFJIXWEC-OAHLLOKOSA-N 442.541 3.609 0 40 IHAB O=C(CCC(=O)N1CCN(Cc2ccccc2)CC1)Nc1nnc(C2CCCCC2)s1 17250459 HJRDQXZKCGCWGO-UHFFFAOYSA-N 441.601 3.649 0 40 IHAB O=C(O)c1ccccc1-c1ccccc1C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 18193234 GRDHLHGQNRSHJQ-UHFFFAOYSA-N 430.460 3.777 0 40 IHAB COc1ccccc1C(=O)N1CCNC(=O)[C@@H](Cc2cccc(-c3ccc(F)cc3)c2)C1 19568806 RCCYIRVSJHNKQR-NRFANRHFSA-N 432.495 3.932 0 40 IHAB COc1ccccc1CC(=O)N1CC[C@](Cc2cccc(-c3cccs3)c2)(C(N)=O)C1 19569429 RVZXOEAUXJTJPF-RUZDIDTESA-N 434.561 3.913 0 40 IHAB Cc1cc(NC(=S)NC(=O)COc2ccccc2)c(C)cc1I 19631184 IGPFUFOXWYLHDY-UHFFFAOYSA-N 440.306 3.800 0 40 IHAB CN(C)c1ncc(-c2ccc(F)cc2)c([C@H]2CCCN(C(=O)c3n[nH]c4c3CCC4)C2)n1 19693935 MVHOHMRFDJQBPT-INIZCTEOSA-N 434.519 3.580 0 40 IHAB COc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1OC 20450990 UARWUWOWYAUEAE-KRWDZBQOSA-N 446.569 3.678 0 40 IHAB COc1ccc(Cn2nnnc2[C@@H](CC(C)C)N2CCN(Cc3ccccc3)CC2)cc1 22929455 SPGHMSDPCAJMAX-XMMPIXPASA-N 434.588 3.635 0 40 IHAB Cc1cc(NC(=O)[C@@H]2CS[C@@H](Cc3ccc(F)cc3)C(=O)N2)ccc1Br 23081007 GGJJXUPEMSHMLK-IRXDYDNUSA-N 437.334 3.678 0 40 IHAB Cc1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)cc1C 23525454 YUMGPVWWARIJBM-UHFFFAOYSA-N 442.471 3.895 0 40 IHAB O=C(Nc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1)c1ccc2[nH]nnc2c1 30121561 VXCMYXGCZFDBPP-UHFFFAOYSA-N 427.873 3.664 0 40 IHAB O=C(/N=c1\sccn1Cc1ccccc1Cl)C1CCN(C(=O)c2ccncc2)CC1 30805743 NHLDRCPXQSNNPA-LVWGJNHUSA-N 440.956 3.626 0 40 IHAB COc1ccc(NC(=O)c2ccc(COc3ccccc3C(=O)N3CCOCC3)cc2)cc1 32883590 GMLVMEUWLHYQRD-UHFFFAOYSA-N 446.503 3.999 0 40 IHAB COc1cc([C@H](c2sc3nc(C)nn3c2O)N2C[C@@H](C)C[C@H](C)C2)cc(OC)c1OC 33738391 IAPCCGCKECZCOG-ZJNRKIDTSA-N 446.573 3.898 0 40 IHAB CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2OC)=N[C@H]1c1ccccc1 34688216 DYILDAOYHAUFBP-NRFANRHFSA-N 439.537 3.905 0 40 IHAB CC(=O)Oc1ccc2c(c1)C(=O)C[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@@H](OC(C)=O)[C@@H]2OC(C)=O 39414732 YKXHUDXDHCUGIF-STZDCXSUSA-N 428.481 3.582 0 40 IHAB biogenic CC(C)CN(CC(C)C)C(=O)CN1C(=O)N[C@](C)(c2cccc(C(F)(F)F)c2)C1=O 40116795 IAWIFHKNCWSAPH-HXUWFJFHSA-N 427.467 3.613 0 40 IHAB O=C(CNc1cccc(S(=O)(=O)N2CCCCCC2)c1)N[C@H]1CCCc2ccccc21 40160621 SXRWYPFCKAYQES-QHCPKHFHSA-N 441.597 3.857 0 40 IHAB Cc1cc2nc(COc3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3)cc(=O)n2o1 41085703 MJLPJVLRWTUHLN-UHFFFAOYSA-N 445.884 3.629 0 40 IHAB Cc1ccc(OCc2cc(=O)n3c(C)csc3n2)c(NS(=O)(=O)c2ccccc2)c1 41089509 PVZLTBZADYRGNZ-UHFFFAOYSA-N 441.534 3.753 0 40 IHAB Cc1ccc(Cl)cc1N([C@@H](C)C(=O)NCc1ccc(OC(C)C)cc1)S(C)(=O)=O 44883840 FLKAYSMPNBXZFF-INIZCTEOSA-N 438.977 3.907 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)N3CCO[C@H]4CCCC[C@@H]43)c2)c1 48273855 WFASWMWVVWLQDL-SFTDATJTSA-N 428.554 3.888 0 40 IHAB CC[C@](C)(CNC(=O)Nc1cc(C(=O)N2C[C@@H](C)C[C@H](C)C2)ccc1C)N1CCOCC1 58405254 GGHXKRDKCXAJAU-XHNVNVPESA-N 444.620 3.736 0 40 IHAB CCOc1c(Cl)cc(CNC(=O)C[C@H]2c3ccccc3CCN2C(C)=O)cc1OC 59781429 RKCSDJZYLITDRT-FQEVSTJZSA-N 430.932 3.900 0 40 IHAB CCOC(=O)c1ccn(-c2cccc(NC(=O)N3CCN(C)C[C@@H]3c3ccccc3)c2)n1 69776828 NXCUVLGVZBNWCK-JOCHJYFZSA-N 433.512 3.570 0 40 IHAB Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(C(=O)N(C)CC(C)(C)O)cc1 78995206 MGVIABQCKPCSFJ-UHFFFAOYSA-N 432.586 3.936 0 40 IHAB CC(C)(C)c1cc(=O)n2c(n1)SC[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)C2 90609693 PYMDGOVZGKGWKM-NSHDSACASA-N 427.448 3.800 0 40 IHAB COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2CNCc2nnc3ccccn23)c1 95956351 XKVMCLWIEKRCAJ-UHFFFAOYSA-N 440.507 3.889 0 40 IHAB CCN(CC)CCN(C(=O)c1ccc2c(c1)C(=O)N(C)C2=O)c1cccc(C(F)(F)F)c1 95986346 MKHSTPMTHOAANS-UHFFFAOYSA-N 447.457 3.920 0 40 IHAB O=S(=O)(c1c(F)cccc1F)N1CCN(c2nc(-c3ccsc3)cs2)CC1 96099909 VJPSNBNDIUVNJR-UHFFFAOYSA-N 427.523 3.661 0 40 IHAB CCN1c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2C(=O)N2CCCC[C@H]21 97161533 ZVSLPBKKAWWYHR-QHCPKHFHSA-N 436.531 3.580 0 40 IHAB CCN(CC)C(=O)c1cnc(C)nc1[C@H]1CC[C@H](CNC(=O)CC[C@H]2CCCO2)CC1 100205080 RHCUZDBTCQUSDP-HSALFYBXSA-N 430.593 3.616 0 40 IHAB C[C@@H](NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 108933301 BEIZABVBAPSJGG-JJDSTIRJSA-N 434.583 3.590 0 40 IHAB COc1cccc(N(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccccc2)c1 113932947 RVLOZQKOSKKRCW-UHFFFAOYSA-N 444.940 3.860 0 40 IHAB CCOC(=O)c1cc(NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)ccc1Cl 216438964 YLKRDNJKKLXKLM-UHFFFAOYSA-N 431.297 3.794 0 40 IHAB CCOc1ccc(CNC(=O)[C@@H](CC)N(c2ccc(C)cc2)S(C)(=O)=O)cc1OCC 219095878 FPEXVJLKIWSPES-HXUWFJFHSA-N 448.585 3.653 0 40 IHAB CC[C@H](C(=O)Nc1ccccc1C(F)(F)F)N(c1ccc(OC)cc1)S(C)(=O)=O 220643996 YDMYFZLUOWPWCV-QGZVFWFLSA-N 430.448 3.897 0 40 IHAB CCOc1ccc(CCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC)cc1OCC 222389401 YFQOTDRBDAQUMP-LJQANCHMSA-N 426.557 3.888 0 40 IHAB CC(C)C(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NC[C@H]1CCCO1 223203317 MLIQMQFQFCJBPW-DHIUTWEWSA-N 426.532 3.717 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)Cc2ncc(C(=O)Nc3cccc(Cl)c3C)cn2)cc1 223382723 RTMDFSJHWFHRCX-UHFFFAOYSA-N 444.944 3.820 0 40 IHAB CCOc1ccc([C@H](C)NS(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)cc1OCC 223680640 ABRNZWRJYNPERA-ZDUSSCGKSA-N 441.933 3.964 0 40 IHAB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)NCCSC1CCCC1 224732852 HVBRSSMZSRRVKI-UHFFFAOYSA-N 436.574 3.813 0 40 IHAB Cc1ccc(N([C@@H](C)C(=O)Nc2nnc(-c3ccccc3)s2)S(C)(=O)=O)cc1C 224805523 JBRAYCGLGCGOAJ-HNNXBMFYSA-N 430.555 3.615 0 40 IHAB COc1cc(N(CCCC(=O)NCC2=CCCCC2)S(C)(=O)=O)c(OC)cc1Cl 224916175 YQNIOIDYULEIJI-UHFFFAOYSA-N 444.981 3.520 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](C)COc3ccc(C)c(C)c3)C2)cc1 225528104 CVUBMZYKFVHIFE-LEWJYISDSA-N 444.597 3.596 0 40 IHAB NC(=O)c1sc2ccccc2c1[C@H]1CC[C@H](CNC(=O)Cn2nnc3ccccc32)CC1 257240835 HVIVXRGUCNNRRM-WKILWMFISA-N 447.564 3.835 0 40 IHAB Cc1ccc([C@@H](C)C(=O)N2CCC[C@@H](c3nc(C)c(CC(=O)NC4CC4)c(C)n3)C2)cc1 257273307 NGBOSVDHUBFACE-DYESRHJHSA-N 434.584 3.733 0 40 IHAB COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(=O)Nc2ccnn2C(C)C)cc1 257329112 XIMITMTYVAXOSA-AGILITTLSA-N 426.561 3.779 0 40 IHAB COc1cc2c(cc1CCC(=O)N1CCO[C@H](c3cccc(-c4cc[nH]n4)n3)C1)CCC2 257340454 ZGFMLDKOTZYOFF-DEOSSOPVSA-N 432.524 3.502 0 40 IHAB Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)c2)cc1C 408653324 FEWCUTYWDMKTCC-SFTDATJTSA-N 434.492 3.779 0 40 IHAB Cc1ccc(S(=O)(=O)NCCC(=O)Nc2cc(C)c(C)cc2Br)cc1 408998156 KKDCKYTZAQBMFN-UHFFFAOYSA-N 425.348 3.681 0 40 IHAB CCOc1cc2c(cc1/C=C1/SC(=O)N(CC(=O)Nc3cccc(C)c3)C1=O)OCO2 409098758 PFADYOJRYWPIQU-DJKKODMXSA-N 440.477 3.797 0 40 IHAB COc1cc(C(=S)N2CCC(C(N)=O)CC2)ccc1OCCOc1ccc(Cl)cc1 409206722 WHDURCWCRNNKGI-UHFFFAOYSA-N 448.972 3.679 0 40 IHAB CC(C)Oc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1Cl 409207852 BICKUFXOMBSKTB-LICLKQGHSA-N 431.851 3.798 0 40 IHAB O=C(CN1CCN(CC(=O)Nc2cccc(Oc3ccccc3)c2)CC1)Nc1ccccc1 533222977 XOCNRPXYTSIJRJ-UHFFFAOYSA-N 444.535 3.674 0 40 IHAB CCC[C@@]1(COC)CCCN1C(=O)c1cccc(C(=O)N2CCC[C@@]2(CCC)COC)n1 562505496 OPYPGCHYYJCESH-DQEYMECFSA-N 445.604 3.924 0 40 IHAB O=C(CCOc1ccccc1Cl)NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21 585112498 QHXOVEATFKCBQY-NRFANRHFSA-N 425.916 3.784 0 40 IHAB CNc1ncnc2cc(C(=O)N3CCC(c4c(OC)cc(OC)cc4OC)CC3)ccc12 1642134461 WORFOMNEUOIRFG-UHFFFAOYSA-N 436.512 3.717 0 40 IHAB CCN1CCN(C(=O)c2cccc(OC)c2)[C@@H](Cc2cccc(-c3ccncc3)c2)C1=O 1848351817 QIQNBROVQLUYKF-DEOSSOPVSA-N 429.520 3.673 0 40 IHAB Cc1cc(C)c(NC(=O)CSc2nnc(CNC(=O)c3ccccc3C)n2C)c(C)c1 687423 MDCIYXAANOWZEB-UHFFFAOYSA-N 437.569 3.710 0 40 IHAB COc1cc(CN2CCC(C(=O)N3CCC[C@H](C)C3)CC2)cc(Br)c1O 819287 JKFBCCMKVJJOAW-AWEZNQCLSA-N 425.367 3.634 0 40 IHAB CCn1c(N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)nc2ccccc21 1370952 NIVBYTICZJUKRU-UHFFFAOYSA-N 438.475 3.586 0 40 IHAB Cc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccccc3)N(Cc3ccccn3)C2=S)cc1 1442524 UAXHJAOXEATSGM-OAQYLSRUSA-N 430.533 3.921 0 40 IHAB COc1ccc(CCNC(=O)COc2c(-c3ccco3)oc3ccccc3c2=O)cc1OC 1994431 JTOIJKGNVLTFKB-UHFFFAOYSA-N 449.459 3.808 0 40 IHAB Cc1sc(NC(=O)[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)c(C(N)=O)c1-c1ccc(C(C)C)cc1 4199774 UEFMHVVECHMYPR-FZCLSBEQSA-N 442.537 3.763 0 40 IHAB O=C(OC[C@@H]1CCCO1)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 4647761 LEXHJIOIWUTJOD-INIZCTEOSA-N 440.315 3.586 0 40 IHAB COCCn1c(SCC(=O)Nc2ccccc2Cl)nc2sc3c(c2c1=O)CCC3 6905275 SUGJEPNTKYWVJL-UHFFFAOYSA-N 449.985 3.977 0 40 IHAB CCCN(CC(=O)Nc1ccccc1OC)[C@H](C)C(=O)N[C@@H](C)CCc1ccccc1 6940729 GVBHHWBHTLZXFM-VQTJNVASSA-N 425.573 3.872 0 40 IHAB CSc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C(C)=O)c3)CC2)cc1 8933994 NHZXBJYPHOBBPV-UHFFFAOYSA-N 432.567 3.651 0 40 IHAB COc1ccc(-c2c(C)oc3cc(OCC(=O)N4C[C@@H](C)O[C@H](C)C4)ccc3c2=O)cc1 8992253 GTZJSVYDWGHYMA-HZPDHXFCSA-N 437.492 3.792 0 40 IHAB biogenic CCc1ccccc1NC(=O)Cn1c(=O)n(Cc2ccco2)c(=O)c2oc3ccccc3c21 9116516 QFFHFNJKWWJSPQ-UHFFFAOYSA-N 443.459 3.752 0 40 IHAB O=C(OCc1ncc(-c2ccccc2)o1)C1CCN(S(=O)(=O)c2cccs2)CC1 9245001 TZAGOXYVMLWSNK-UHFFFAOYSA-N 432.523 3.547 0 40 IHAB O=C(COc1ccccc1Cl)N(Cc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 9424133 ADKHEIJREXEDPY-MRXNPFEDSA-N 428.337 3.588 0 40 IHAB COc1ccc(CN(C(=O)/C=C/c2ccccc2Cl)[C@H]2CCS(=O)(=O)C2)cc1OC 9459313 VNGSUZZIXHIUPE-LNENJAERSA-N 449.956 3.586 0 40 IHAB CCc1ccccc1NC(=O)COC(=O)CCS(=O)(=O)c1cc(Cl)ccc1Cl 9525812 KWTZXEXHUAAIJH-UHFFFAOYSA-N 444.336 3.902 0 40 IHAB Cc1cc(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c(C)n1CCc1ccc(Cl)cc1 9691079 CXNZNFVKLOFCHC-QHCPKHFHSA-N 427.932 3.904 0 40 IHAB CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(OC)c3)C(=O)N2CC(C)C)cc1 9933959 ASFFSWSROWUQMZ-OAQYLSRUSA-N 439.512 3.916 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3Cl)CC2)cc1C 10086402 UHIAAAKMABZWAN-VQTJNVASSA-N 432.973 3.593 0 40 IHAB CCOc1ccccc1NC(=O)CSc1nc(=O)n(Cc2ccco2)c2c1CCC2 10186719 LXMVWAZNLZZOFB-UHFFFAOYSA-N 425.510 3.503 0 40 IHAB Cc1occc1-c1nnc(S[C@H]2CCCCN(C(=O)c3ccc(Cl)cc3)C2=O)n1N 10469609 NHNIZBACTZKXLV-INIZCTEOSA-N 445.932 3.527 0 40 IHAB CC(=O)c1cccc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(Cl)s2)c1 10812438 FVIWAODBVQPRFA-HNNXBMFYSA-N 426.947 3.786 0 40 IHAB CC(=O)Nc1ccc(-c2csc(NC(=O)[C@@H]3Cc4ccccc4C(=O)O3)n2)c(F)c1 10993914 MQRCFYYUSJMVDV-SFHVURJKSA-N 425.441 3.628 0 40 IHAB COc1ccc(Cl)cc1C(=O)OCC(=O)N1c2ccccc2NC(=O)C12CCCC2 11322237 NCQWJLCOEQPMDY-UHFFFAOYSA-N 428.872 3.804 0 40 IHAB CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)Nc1nc2cc3c(cc2s1)OCCO3 11751593 OHYNDKIZHSBADB-SFHVURJKSA-N 429.473 3.600 0 40 IHAB COc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3C)nn2[C@H]2CCS(=O)(=O)C2)cc1 11996886 BIFUWIVMSMGVLT-SFHVURJKSA-N 439.537 3.787 0 40 IHAB O=C(C1CCCCC1)N1CCC[C@H](c2nc(N3CCOCC3)ncc2-c2cccnc2)C1 12089324 ABHDRSBPPZXNDJ-NRFANRHFSA-N 435.572 3.662 0 40 IHAB COc1cc(CN2Cc3ccccc3C[C@H]2C(=O)NCc2ccccc2)cc(OC)c1O 12469016 ZMEAXXJODSYZGB-QFIPXVFZSA-N 432.520 3.653 0 40 IHAB CCN(CC(=O)NCc1ccc(F)cc1)C[C@@H](O)COc1ccc(OC)cc1C(C)(C)C 12549779 ITSSKZPECJHWME-HXUWFJFHSA-N 446.563 3.510 0 40 IHAB CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 12604177 KONYNFZLIJLGAI-UHFFFAOYSA-N 436.940 3.912 0 40 IHAB CCc1nn2c(=O)cc(CSc3nnc(Cc4cccs4)n3C3CC3)nc2s1 12682575 GSGHCZDXCDVXIT-UHFFFAOYSA-N 430.584 3.584 0 40 IHAB CCn1c(SCc2nc3sc(C(C)=O)c(C)c3c(=O)[nH]2)nnc1-c1ccoc1C 12690300 BEVAPYIJHGNDJF-UHFFFAOYSA-N 429.527 3.968 0 40 IHAB COc1ccc([C@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 12757836 CIKBHLFFYCMSJQ-HSZRJFAPSA-N 442.581 3.768 0 40 IHAB O=C(CCn1cnc2ccc(Br)cc2c1=O)N1CCC[C@H]1c1ccccc1 12807900 UWBCJHJXOCJBJO-IBGZPJMESA-N 426.314 3.913 0 40 IHAB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)c1 12822823 NIRFLEIZUDMKOG-UHFFFAOYSA-N 445.444 3.698 0 40 IHAB CCOC(=O)c1ccc(N2CCN(C(=O)c3cc4c(s3)CCCCCC4)CC2)nc1 12849692 LIMMJDWXTYBYEW-UHFFFAOYSA-N 427.570 3.941 0 40 IHAB COc1ccc(NC(=O)CN(C)C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1 12857706 WSGFIYIWICDEGD-UHFFFAOYSA-N 441.491 3.654 0 40 IHAB O=C1c2ccccc2C(=O)N1CC(=O)N(Cc1ccccc1)c1nc2c(s1)CCCC2 12918364 RZINFSSHZMDQAG-UHFFFAOYSA-N 431.517 3.851 0 40 IHAB NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)c1 12927768 ZZHGARKYCPKGHW-UHFFFAOYSA-N 443.884 3.565 0 40 IHAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)c1 12978821 GVTHSJCYDXFXEI-QFIPXVFZSA-N 441.553 3.620 0 40 IHAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)OCC(=O)N(C1CCCCC1)C1CCCCC1 13039067 VSOLFFLYFKYGJG-OYRHEFFESA-N 446.588 3.589 0 40 IHAB O=C(COC(=O)c1cc2ccccc2oc1=O)Nc1ncc(C(F)(F)F)cc1Cl 13145674 XBJXNAXAXMLFIK-UHFFFAOYSA-N 426.734 3.656 0 40 IHAB COc1cccc(N2CCN([C@H](c3ccccc3F)c3nnnn3C3CCCC3)CC2)c1 13503947 HKKKVMHAMNOCJS-HSZRJFAPSA-N 436.535 3.848 0 40 IHAB O=C(/C=C/c1ccc2c(c1)OCO2)NCCc1nnc2c(C(F)(F)F)cc(Cl)cn12 13592419 MSRDBGGHITUZHI-DUXPYHPUSA-N 438.793 3.502 0 40 IHAB COc1ccc(C)cc1N(CC(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 13669039 XUSYIUZFYKLBFV-KRWDZBQOSA-N 432.586 3.945 0 40 IHAB COc1cccc(N(CC(=O)N2c3ccccc3C[C@H]2C)S(=O)(=O)c2ccccc2)c1 13670915 IVHXUQFDXWPBOW-GOSISDBHSA-N 436.533 3.868 0 40 IHAB O=C(Nc1nccs1)c1ccc2nc(NS(=O)(=O)c3ccc(F)cc3)sc2c1 13719730 JSJFYGKOCHDKGK-UHFFFAOYSA-N 434.499 3.945 0 40 IHAB CN(CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1)Cc1nc2ccccc2c(=O)[nH]1 15447948 BZTGTBBAAHFSNT-UHFFFAOYSA-N 436.531 3.856 0 40 IHAB COC(=O)c1ccccc1NC(=O)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O 15882844 MBWRNTSBCFPYEM-UHFFFAOYSA-N 430.382 3.954 0 40 IHAB Cc1ccc(NC(=O)[C@@H]2CCCO2)cc1S(=O)(=O)Nc1ccc(Br)cc1 15895809 ZICWYZHINYZNTN-INIZCTEOSA-N 439.331 3.676 0 40 IHAB O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N1CCN(c2ncccn2)CC1 16850115 PHBALWZRNHHQJI-UHFFFAOYSA-N 448.474 3.587 0 40 IHAB O=Cc1cn(CC(=O)N2CCN(c3ccccc3)CC2)c2ccc(Br)cc12 17094738 WAJRYGSPWQSHOD-UHFFFAOYSA-N 426.314 3.565 0 40 IHAB O=C(NCCCCN1CCO[C@@H](c2ccccc2)C1)C(=O)Nc1ccc(C(F)(F)F)cc1 17178436 VDJAHUWHVQVWDP-HXUWFJFHSA-N 449.473 3.614 0 40 IHAB CCN1CCN(C(=O)Cc2cccc(F)c2)C[C@@H](Cc2cccc(-c3ccncc3)c2)C1=O 19527580 HULIOCNLACAMBN-XMMPIXPASA-N 445.538 3.980 0 40 IHAB O=C(CN1CCC([C@@H]2CC=CCN(Cc3ccc(F)cc3)C2=O)CC1)NC1CCCCC1 19698367 PMLKGIXTQAMJOV-DEOSSOPVSA-N 441.591 3.891 0 40 IHAB CNc1cc(CN(C)C(C)=O)nc([C@@H]2CCCCN2Cc2cc3c(cc2OC)CCC3)n1 19709839 SRJLTGWDQQXERN-QFIPXVFZSA-N 437.588 3.721 0 40 IHAB O=C(CCn1c(=O)oc2ccccc21)N1CCN(C(c2ccccc2)c2ccccc2)CC1 19881715 PXTKIYADTRPNTP-UHFFFAOYSA-N 441.531 3.918 0 40 IHAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H]2CCCc3ccccc32)cc1Cl 20015279 KKBJHADIIKOOPQ-LJQANCHMSA-N 436.961 3.553 0 40 IHAB COc1ccc(C(=O)Nc2cc(F)ccc2F)cc1S(=O)(=O)NCc1ccccc1 20024842 QPNJUXSEPPYDFF-UHFFFAOYSA-N 432.448 3.704 0 40 IHAB CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc(F)c2)cc1 22271388 VICRRMHGIVTFGT-JOCHJYFZSA-N 442.512 3.753 0 40 IHAB COC(=O)c1cn(CC(=O)Nc2cccc(Cl)c2N2CCOCC2)c2ccccc12 22312115 JYWNKXPBCNHDPQ-UHFFFAOYSA-N 427.888 3.557 0 40 IHAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)OC(=O)c1nc(-c2ccccc2)oc1C 23947174 SEGQBQKQYJXPPM-QGZVFWFLSA-N 435.480 3.567 0 40 IHAB CCc1ccc([C@@H](C)NC(=O)CCn2cnc3ccc(Br)cc3c2=O)cc1 24978089 NHBFFLQTUZXYQK-CQSZACIVSA-N 428.330 3.989 0 40 IHAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)N3CCOc4ccccc43)CC2)c1C 25312453 YYCLBKDGVKCYIA-UHFFFAOYSA-N 442.581 3.747 0 40 IHAB CC(C)[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)Nc1nc(-c2cccnc2)cs1 29252051 AXHKZFBMCFEFRF-RDELFYGPSA-N 442.566 3.759 0 40 IHAB O=C(c1ccc(NCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)nc1)N1CCCC1 32830032 ABHJDJBQFOJMIW-UHFFFAOYSA-N 447.505 3.571 0 40 IHAB COc1cccc(N(C(=O)c2cnccn2)[C@@H](C(=O)NCc2ccccc2)c2ccco2)c1 35313889 QZTMWEVUNPGWRT-HSZRJFAPSA-N 442.475 3.783 0 40 IHAB COc1ccc(NC(=O)CSC2=NC3(CCN(C)CC3)N=C2c2ccc(F)cc2)cc1 35372885 SYJSZIFNHSWOKS-UHFFFAOYSA-N 440.544 3.829 0 40 IHAB O=C(NCc1cccc(CN2CCOCC2)c1)[C@H]1CCCN(Cc2ccccc2Cl)C1 38830764 KNSLKCBBEQHCJD-QHCPKHFHSA-N 442.003 3.701 0 40 IHAB CCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)Nc1ccc(OC)c(Cl)c1 40266573 NQLBAMGZOMNTJY-JOCHJYFZSA-N 427.888 3.676 0 40 IHAB Cc1ccc([C@@H]2[C@H](Oc3ccccc3F)C(=O)N2CCCCN2CCOCC2)cc1C 48251007 WDHUKSGVZAOITP-RPWUZVMVSA-N 426.532 3.886 0 40 IHAB Cc1cccc(NC(=O)CN2CCN(C(=O)[C@@H]3CCC[C@H](C(F)(F)F)C3)CC2)c1C 48324523 RWAACPYSNAAWFZ-MSOLQXFVSA-N 425.495 3.755 0 40 IHAB Cc1ccc(Cl)cc1NC(=O)CSc1ncnc2nc(N3CCOCC3)sc12 57506925 TYZUDJFSNUFHQI-UHFFFAOYSA-N 435.962 3.616 0 40 IHAB Cc1ccc(NC(=O)COc2cc(CC(=O)NC3CC3)nc(-c3ccccc3)n2)cc1C 57522494 YWHAARPXPGMIKG-UHFFFAOYSA-N 430.508 3.599 0 40 IHAB COCCCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3ccc(C)c(F)c3)c2c1=O 65113556 NUZZYGUZNMBCMW-UHFFFAOYSA-N 448.498 3.988 0 40 IHAB Cc1ccc2cc(C(=O)N3CCC(C(=O)c4ccc5c(c4)NC(=O)CO5)CC3)c(C)nc2c1 70004273 NKZQMXUJVYDCBT-UHFFFAOYSA-N 443.503 3.918 0 40 IHAB COc1ccc(C2=NC3(CCCCC3)N(CC(=O)NCCCc3ccccc3)C2=O)cc1 71768964 ONFKMJFIMWGWCZ-UHFFFAOYSA-N 433.552 3.736 0 40 IHAB COCCOC1CN(C(=O)c2cc(-c3cc(C)sc3C)nc3c2cnn3C(C)C)C1 72311639 VADQVFXUKFOANG-UHFFFAOYSA-N 428.558 3.845 0 40 IHAB O=C(c1cc(-c2cccs2)n[nH]1)N1CCC[C@H](c2cc(C(F)(F)F)n3ncnc3n2)C1 72393661 LNJZWHCOKBZPLY-NSHDSACASA-N 447.446 3.615 0 40 IHAB C[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 100626870 JLASOBDJYBSCOP-KCXPTXFHSA-N 428.554 3.938 0 40 IHAB CCCC[C@@H](C(=O)O[C@H](C)C(=O)c1ccc(C)cc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 101079798 DODZLIYLUHLZKM-OKVWBIEUSA-N 449.547 3.721 0 40 IHAB O=C(Nc1ccc(Br)cc1)C1CCC(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)CC1 102081810 PBVMTJBZCLRUEN-JTPOADGKSA-N 445.357 3.978 0 40 IHAB CCOc1ccc(CCC2CCN(C(=O)[C@H](C)N3C(=O)[C@H]4CC=CC[C@H]4C3=O)CC2)cc1 102588255 VCTJBMZFSFZQOV-OFAXGOBFSA-N 438.568 3.596 0 40 IHAB O=C(NCCc1ccc(OC(F)(F)F)cc1)[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ncccn1 108393368 NZHOKSXVOVXFFI-NEWSRXKRSA-N 434.462 3.872 0 40 IHAB O=C(NCc1ccc([C@@H](O)c2ccco2)s1)C(=O)Nc1ccc(OC(F)(F)F)cc1 206688258 JZFWOECTEIHKPS-INIZCTEOSA-N 440.399 3.576 0 40 IHAB CCOC(=O)c1cc(NC(=O)[C@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)ccc1Cl 216311343 GAFCVCOZFFMSOO-AWEZNQCLSA-N 438.933 3.618 0 40 IHAB CCOc1ccc(CNC(=O)CN2c3ccc(C)cc3-c3ccccc3S2(=O)=O)cc1 219161458 IPGGFTODBTVQJL-UHFFFAOYSA-N 436.533 3.886 0 40 IHAB CS(=O)(=O)N(CC(=O)N1CCC(Cc2ccccc2)CC1)Cc1ccccc1Cl 222969854 HXLWHPCWPUPSQD-UHFFFAOYSA-N 434.989 3.583 0 40 IHAB CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccccc1C 223033734 OXAGRKRAZKJFSL-INIZCTEOSA-N 433.346 3.690 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3cccc(F)c3)cc2)cc1OC 224085771 CNJCULGUUUJDAS-UHFFFAOYSA-N 444.484 3.574 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)Cc3cccs3)cc2)cc1OC 224085846 AOKTXEXGCVXRJI-UHFFFAOYSA-N 446.550 3.838 0 40 IHAB Cc1cccc(OCCNC(=O)CCCN(c2ccc(C(C)C)cc2)S(C)(=O)=O)c1 224664624 QWVAZUOUNSTSAL-UHFFFAOYSA-N 432.586 3.860 0 40 IHAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1cc(OC)cc(OC)c1 225480884 USRCMEIJVIYSKP-MBSDFSHPSA-N 442.556 3.805 0 40 IHAB CCOC(=O)C1(c2ccc(NC(=O)c3ccc(Cl)c(NS(C)(=O)=O)c3)cc2)CC1 225970472 YIBJHGSBFOPQTQ-UHFFFAOYSA-N 436.917 3.559 0 40 IHAB Cc1nc([C@H]2CCN(C(=O)C3CCCC3)C2)nc2c1CCC(=O)N2CCc1ccccc1 257216363 CUFMABVZJRVQOM-NRFANRHFSA-N 432.568 3.813 0 40 IHAB Cc1nonc1C(=O)NC[C@H]1CC[C@H](c2cc(C(=O)NC(C)C)c3ccccc3n2)CC1 257260934 LFCUEFGKWHTLFR-QAQDUYKDSA-N 435.528 3.768 0 40 IHAB CN1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2S(=O)(=O)c1cccnc1 257262659 LMHFZUQJRWAVQI-QWQGWLCTSA-N 425.598 3.719 0 40 IHAB COc1cccc(C(=O)N2CCC(Cc3ccccc3-c3ccncc3)(C(N)=O)CC2)c1 257294065 QSGZVTHZISFIAI-UHFFFAOYSA-N 429.520 3.708 0 40 IHAB COc1ccc(OC)c(NC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C[C@H](C=C5C)[C@H]4C3=O)c2)c1 408667532 BIIFOIORBFXGDT-OZPQRRJYSA-N 432.476 3.658 0 40 IHAB COc1ccc([C@@H]2[C@@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccc(C(C)C)cc2)cc1 409054682 AZTPOAJULHTWQO-DLPRSZHDSA-O 442.539 3.835 0 40 IHAB Cc1ccccc1C1=CCN(C(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)C1 501611833 GJDGLFULWSUCRU-UHFFFAOYSA-N 429.497 3.912 0 40 IHAB Cn1cc(-c2cncc(CNS(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)c2)cn1 575615076 BTBFKVRPICDCBD-UHFFFAOYSA-N 430.839 3.633 0 40 IHAB CCOc1cc([C@@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2CCCO)ccc1O 2351262 JQDYHUFDJFGBLK-HXUWFJFHSA-N 443.883 3.787 0 40 IHAB O=C(CSc1nnc(-c2ccncc2)n1Cc1ccccc1)NCCc1ccc(F)cc1 2621414 JFWILAJUPQIIFY-UHFFFAOYSA-N 447.539 3.979 0 40 IHAB Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)cc1 2646826 LPNMFPWCEJFMDO-UHFFFAOYSA-N 429.538 3.747 0 40 IHAB CCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)c2cccc3ccccc23)cc1 2889863 BCZCSDLWYCHHJK-UHFFFAOYSA-N 425.510 3.880 0 40 IHAB COC(=O)c1ccc(CNC(=O)COc2ccc(N(C)C(=O)c3ccc(C)cc3)cc2)cc1 3264222 DVEKKHOURFLFEK-UHFFFAOYSA-N 446.503 3.753 0 40 IHAB CSCC(=O)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)c2ccc3ccccc3c2)C1 4258878 GRIIIMHSGWDPSA-OXJNMPFZSA-N 447.560 3.563 0 40 IHAB biogenic,in-vitro CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)C(=S)NCCOC)cc2c1 6196673 RGLGICFBQBSEDO-UHFFFAOYSA-N 443.544 3.589 0 40 IHAB NC(=O)c1c(NC(=O)CN2CCC[C@@H](c3nc4ccccc4s3)C2)sc2c1CCC2 8705242 ZPKNKZYJPFYHGH-CYBMUJFWSA-N 440.594 3.764 0 40 IHAB COc1cccc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)c1OC(C)C 8815756 GXTBCIBJANTGBZ-GZTJUZNOSA-N 443.887 3.667 0 40 IHAB CCOC(=O)Cn1c([C@H]2CC(=O)N(c3ccccc3Br)C2)nc2ccccc21 8871486 HMHNTVUUWKPGQU-AWEZNQCLSA-N 442.313 3.882 0 40 IHAB CC1CCC2(CC1)NC(=O)N(NC(=O)c1cc(-c3ccccc3)nn1-c1ccccc1)C2=O 8965881 XWPVCMMDZIFNPJ-UHFFFAOYSA-N 443.507 3.685 0 40 IHAB CCN1CCc2c([nH]c3ccccc23)[C@@H]1c1c(O)nc(O)n(-c2ccc(C)c(C)c2)c1=O 9045912 FRAJFTJKAZUDOB-QFIPXVFZSA-N 430.508 3.709 0 40 IHAB biogenic CC[C@@H](C)[C@@H](C(=O)OCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)c1ccccc1 9098063 XSQNKPKEZXPVJJ-VGOFRKELSA-N 435.524 3.796 0 40 IHAB CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CC)cc1 9166440 ZNDGVSWPCKXSBX-UHFFFAOYSA-N 445.541 3.607 0 40 IHAB Cc1noc(C)c1COc1ccc(CC(=O)N(C)CC(=O)Nc2cccc(F)c2)cc1 9168872 FTIYMFIPHGBVLT-UHFFFAOYSA-N 425.460 3.649 0 40 IHAB O=C(CSc1nnc(N2CCCCC2)n1-c1ccccc1)N1CCC(c2ccccc2)=N1 9205127 RDIPIXHYAQOTFG-UHFFFAOYSA-N 446.580 3.986 0 40 IHAB CCCc1nnc2n1N[C@H](c1ccc(F)cc1)[C@H](C(=O)Nc1ccc(OC)cc1)S2 9239201 WFIRXHUAWQCWGW-RTBURBONSA-N 427.505 3.776 0 40 IHAB COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)NCC12CC3CC(CC(C3)C1)C2 9245087 GFOADMJPTCFOJB-UHFFFAOYSA-N 433.980 3.552 0 40 IHAB COc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1C(=O)N1CCCCCC1 9356160 UIXXHJNQCIHKCB-UHFFFAOYSA-N 436.961 3.843 0 40 IHAB CCOC(=O)C1CCN(CC(=O)Nc2oc3ccccc3c(=O)c2-c2ccc(C)cc2)CC1 9409990 ZZIXPJXLMQVLIV-UHFFFAOYSA-N 448.519 3.982 0 40 IHAB COc1ccc(C(=O)Nc2c3c(nn2-c2cccc(C)c2C)C[S@@](=O)C3)c(OC)c1 9413850 ZZTZECBAUQSLGJ-SSEXGKCCSA-N 425.510 3.521 0 40 IHAB COc1ccccc1CNC(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2)c(OC)c1 9507229 YOTXCCLFWNCUQE-UHFFFAOYSA-N 438.455 3.790 0 40 IHAB COc1ccc(OC)c2sc(N(CCN(C)C)C(=O)COc3ccc(Cl)cc3)nc12 9604187 PLWMWPJJVUXNJX-UHFFFAOYSA-N 449.960 3.941 0 40 IHAB COc1cccc(CNc2nc(NCc3cccc(OC)c3)n(C(=O)c3ccncc3)n2)c1 9847057 QULYBAIUBSHBIC-UHFFFAOYSA-N 444.495 3.603 0 40 IHAB COc1ccc(-n2nnc(-c3nc(-c4ccc(OC)c(OC)c4)no3)c2C)cc1Cl 10273829 HVUPNTHXJJEZCM-UHFFFAOYSA-N 427.848 3.972 0 40 IHAB Cc1cc(Br)cc(Cl)c1OCC(=O)N1CCN(c2nccs2)CC1 10674271 YMHMEEFGXBRLEJ-UHFFFAOYSA-N 430.755 3.595 0 40 IHAB COc1ccc2nc(-c3ccc(F)c(NC(=O)c4cc5ccccc5oc4=O)c3)cn2n1 11693550 DNJCYTMUTMQZNV-UHFFFAOYSA-N 430.395 3.903 0 40 IHAB O=C(CSc1ncnc2c1nnn2Cc1ccc(F)cc1)Nc1cccc(Cl)c1 11758472 HKSMHSQZXNMZHT-UHFFFAOYSA-N 428.880 3.793 0 40 IHAB COc1ccc([C@@H]2CN(C(=O)c3ccccc3F)C[C@H]2c2cc(O)nc(C)n2)cc1OC 12163552 RBBAQEUZRCNHFM-ZWKOTPCHSA-N 437.471 3.670 0 40 IHAB COC(=O)C[C@H](NS(=O)(=O)c1cccc(Cl)c1)c1ccc(Br)cc1 12738190 JOTRUTVFLWLPPU-HNNXBMFYSA-N 432.723 3.685 0 40 IHAB COc1ccc([C@@H]2CCCN2C(=O)Cn2cnc3c(oc4ccccc43)c2=O)c(OC)c1 12929394 CELGWHRPLFMJLC-SFHVURJKSA-N 433.464 3.524 0 40 IHAB COc1ccc(-c2cc(CN3CCN(S(=O)(=O)c4cccc(Cl)c4)CC3)on2)cc1 13000739 KPNKINAANVORIW-UHFFFAOYSA-N 447.944 3.510 0 40 IHAB Cc1sc2ncnc(N3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)c2c1C 13040333 ADVPHZOIWRBWOW-UHFFFAOYSA-N 430.599 3.942 0 40 IHAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(C)c(Cl)c2)C1 13580687 RVBDDLUCEPCKEF-AWEZNQCLSA-N 440.924 3.836 0 40 IHAB CCCCn1c(SCC(=O)Nc2ccc(C(N)=O)cc2)nnc1-c1ccc(OC)cc1 14167180 AQPCTKRYMAXRMM-UHFFFAOYSA-N 439.541 3.584 0 40 IHAB COc1ccc(CN(C(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)C2CC2)cc1 15034768 MLAYLGBKZNANFM-UHFFFAOYSA-N 438.549 3.708 0 40 IHAB CCc1ccc(S(=O)(=O)NCCc2csc3nc(-c4ccccc4F)nn23)s1 15783940 HQZPNVMTUVFQAS-UHFFFAOYSA-N 436.559 3.742 0 40 IHAB Cc1ccc([C@@H](NC(=O)Cn2c(S(C)(=O)=O)nc3ccccc32)c2cccs2)cc1 18380939 GAYKUYWHTYYAKK-OAQYLSRUSA-N 439.562 3.716 0 40 IHAB CC(=O)Nc1ccc(C(=O)N2CCC(c3cc(N(C)C)nc(-c4ccncc4)n3)CC2)cc1 19022302 RCCPSMLXSLVQPZ-UHFFFAOYSA-N 444.539 3.583 0 40 IHAB CN(C)C(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)[C@H]2CCCCO2)C1 19579821 OLTPGVCYQJFRKS-QPPBQGQZSA-N 426.582 3.834 0 40 IHAB CNC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CCN(Cc2cc(OC)cc(OC)c2)C1 19591673 FUZSRVRQVVMHAC-MHZLTWQESA-N 445.563 3.947 0 40 IHAB COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2CCCCN2C(=O)c2snnc2C)cc1 19694287 YBYKUBVJHWQGGT-SFHVURJKSA-N 438.557 3.746 0 40 IHAB CCCN1C(=O)CCc2c(C)nc(C3CCN(C(=O)CCCc4ccccn4)CC3)nc21 19739267 PTOISOIIMZPLOG-UHFFFAOYSA-N 435.572 3.598 0 40 IHAB CCN(CC)C(=O)c1cnc([C@@H]2CCCCN2C(=O)c2cc(C(C)(C)C)nn2C)nc1C 19765521 BBRZPEULUAFSNB-SFHVURJKSA-N 440.592 3.665 0 40 IHAB CCOc1cc(C)c(Br)cc1S(=O)(=O)NC1CC(C)(C)NC(C)(C)C1 19909528 NIFOGGXWCTWWJQ-UHFFFAOYSA-N 433.412 3.744 0 40 IHAB CCN(c1ccc(OCC(=O)N2CCC(C)CC2)cc1)S(=O)(=O)c1ccc(C)cc1 19938041 QMSCWQRQETWYTB-UHFFFAOYSA-N 430.570 3.848 0 40 IHAB CC[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1)c1ccc(C)cc1 20459166 TUVJSZIAFVKGKA-QFIPXVFZSA-N 432.561 3.943 0 40 IHAB CCOc1ccc(CCNC(=O)CCC(=O)c2ccc3c(c2)OCCCO3)cc1OCC 21333550 SEEAZZKCGJFKGR-UHFFFAOYSA-N 441.524 3.967 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](CC(C)C)c3ccccc3)CC2)cc1 21835704 NBQIBERYIRXYLU-QHCPKHFHSA-N 444.597 4.000 0 40 IHAB O=C(Nc1ccc(-n2cnnn2)cc1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F 22242795 OYPJNHAZMHEIER-UHFFFAOYSA-N 433.781 3.773 0 40 IHAB Cc1cc(S(=O)(=O)Nc2ccc(Br)cc2F)ccc1N1CCCC1=O 22526493 NBDVHVSYBONGSL-UHFFFAOYSA-N 427.295 3.824 0 40 IHAB CN(CC(=O)Nc1ccc(CN2CCOCC2)cc1)Cc1ccccc1N1CCCCC1 23804926 VMGFTOOJRPTUEM-UHFFFAOYSA-N 436.600 3.580 0 40 IHAB Cn1ccnc1[C@@H](NC(=O)CSc1nnc(C2CC2)n1-c1ccccc1)c1ccccc1 28943311 CKQVTIMZDCQOJW-NRFANRHFSA-N 444.564 3.876 0 40 IHAB CNC(=O)[C@@H]1CN(C(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)c2ccccc2O1 29767322 NDZVLTKIRQMVDD-VIFPVBQESA-N 435.094 3.849 0 40 IHAB O=C(CN[C@H](c1ccc(F)cc1)c1cccs1)NC(=O)Nc1ccc2c(c1)OCCO2 29936302 FCHICWZGJCTRLT-OAQYLSRUSA-N 441.484 3.686 0 40 IHAB CS(=O)(=O)c1ccc(S(=O)(=O)N(CCc2ccccc2)Cc2ccccc2)cc1 32755127 HUZFFGWICWZAQL-UHFFFAOYSA-N 429.563 3.524 0 40 IHAB O=C(Nc1cc2c(cc1Br)OCCO2)c1cccc(CN2CCCC2=O)c1 32768369 JKLDXPWBBDQJHQ-UHFFFAOYSA-N 431.286 3.595 0 40 IHAB O=C(NCc1ccccc1Cn1ccnc1)c1ccc(=O)n(Cc2ccccc2Cl)c1 32860080 ZHTMIWKPLSKVHI-UHFFFAOYSA-N 432.911 3.725 0 40 IHAB CCN(CC(=O)Nc1ccc(Cl)cc1Cl)S(=O)(=O)c1cc(C)ccc1OC 35086456 CAVGJZVWLWNOMO-UHFFFAOYSA-N 431.341 3.960 0 40 IHAB O=C1N[C@H](c2ccccc2C(F)(F)F)[C@@H](C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 35569282 MWETWNSKBPIWLJ-JJRVBVJISA-N 432.320 3.809 0 40 IHAB O=C(Cc1ccc(Cl)cc1)NCCn1ncc2c(NCc3ccc(F)cc3)ncnc21 35590560 IKSQPMWSQFPHKI-UHFFFAOYSA-N 438.894 3.590 0 40 IHAB COc1ccc([C@H]2CC(O)=Nc3c2c(C)nn3-c2ccc3nnc(C)n3n2)cc1OC(C)C 40283931 VLPRUMGZGNFNLH-MRXNPFEDSA-N 447.499 3.846 0 40 IHAB CCOc1c(C)cc(S(=O)(=O)NCC2CCN(C(=O)Oc3ccccc3)CC2)cc1C 43957304 YGKLCHWWAYVOMT-UHFFFAOYSA-N 446.569 3.891 0 40 IHAB O=C(Nc1ccccc1)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 44885996 CCUABBYDCXLCEQ-UHFFFAOYSA-N 437.359 3.630 0 40 IHAB C[C@@H]1Cc2ccccc2N1C(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 44899866 ZNZGLZOLARZZBT-MRXNPFEDSA-N 432.973 3.860 0 40 IHAB CCc1ccc(-c2n[nH]cc2C(=O)N2CCC(NC(=O)c3ccc(OC)cc3)CC2)cc1 49406900 FZJIXWQEACNQRY-UHFFFAOYSA-N 432.524 3.682 0 40 IHAB Cc1ccc(C)c(-n2c(=O)c3sccc3n(CC(=O)NCCC3=CCCCC3)c2=O)c1 57492493 NPYJWYQUQMYLME-UHFFFAOYSA-N 437.565 3.837 0 40 IHAB Cc1cc(C(=O)N2CCN(C(=O)Nc3ccc(NC(=O)c4ccco4)cc3)CC2)c(C)o1 69458933 FTLXJEWJKJJADO-UHFFFAOYSA-N 436.468 3.732 0 40 IHAB Cc1cc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCc2ccccc2)ccc1Oc1cccnc1 72274087 QBWRKDKCBLAIDU-IRLDBZIGSA-N 447.491 3.893 0 40 IHAB O=C(CCn1nc(-c2ccc(Br)cc2)ccc1=O)NCc1cc(F)cc(F)c1 72328327 UTOBZJDWDBNCJH-UHFFFAOYSA-N 448.267 3.658 0 40 IHAB O=C(c1ccc(Br)s1)N1CCC2(CC1)C[C@@](O)(c1ccc(F)cc1)CO2 72335505 HTABNPXTPHZLMQ-IBGZPJMESA-N 440.334 3.933 0 40 IHAB O=C(CN1CC[C@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1)Nc1nccs1 72371254 IAWJJBFVDIVFOR-AWEZNQCLSA-N 431.949 3.569 0 40 IHAB C[C@]12CCC(=O)N1[C@H](C(=O)Nc1ccc3[nH]c(-c4ccc(Cl)cn4)nc3c1)CS2 79074244 ABTYPZBWCWVRPU-JXFKEZNVSA-N 427.917 3.671 0 40 IHAB O=C(NC1CCN(CC2(O)CCCCC2)CC1)c1cc2cc(Br)ccc2[nH]1 89800328 QSFFHUMMZPDVDS-UHFFFAOYSA-N 434.378 3.820 0 40 IHAB COc1cccc(C(=O)COc2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H]([C@H]6C[C@H]56)[C@H]4C3=O)cc2)c1 100846009 SJLOWJZQCCYZGS-DRRJAYDASA-N 429.472 3.514 0 40 IHAB CCOc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](c2ccccc2)NN3Cc2ccccc2)cc1 100896239 SOIABYWLHAPPRM-SGNDLWITSA-N 427.504 3.705 0 40 IHAB CCOC(=S)SCC(=O)N1CCc2ccccc2[C@H]1C1C(=O)CC(C)(C)CC1=O 101028676 UWHUITWCFHXLCH-FQEVSTJZSA-N 433.595 3.741 0 40 IHAB CCn1cc(NC(=O)[C@@H]2[C@@H]3CC[C@H](C3=C(C)C)[C@@H]2C(=O)O)c(C(=O)NC2CCCCC2)n1 102251842 UWBBAKSRUFMVAU-SMOSDQRPSA-N 442.560 3.597 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)cc2)c2ccccc2)cc1OC 113935411 LPDIYBSKLDJCLO-UHFFFAOYSA-N 444.484 3.677 0 40 IHAB COc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1ccccc1SC)S(C)(=O)=O 113940072 PQFNBYUSXIGRRT-GFCCVEGCSA-N 428.963 3.864 0 40 IHAB C[C@@H](NC(=O)CCCN1C(=O)c2ccccc2S1(=O)=O)c1ccc(C(C)(C)C)cc1 219441227 CAHUNCREYYFVCB-MRXNPFEDSA-N 428.554 3.786 0 40 IHAB CCc1ccc(N([C@@H](C)C(=O)N[C@@H](CC)c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 220291255 HUDXGIZFLGRRFH-JXFKEZNVSA-N 448.585 3.688 0 40 IHAB Cc1ccccc1N(CCCC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)S(C)(=O)=O 222561605 PMQJQFRZCVUUNX-LJQANCHMSA-N 430.570 3.960 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222945491 IWPMHWKORZITLJ-QGZVFWFLSA-N 442.581 3.850 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)Cc2ncc(C(=O)Nc3c(C)cc(C)cc3C)cn2)cc1 223384724 DZORBUYIPSRSPR-UHFFFAOYSA-N 438.553 3.783 0 40 IHAB COc1ccc(CN(C(=O)Cc2ccccc2)[C@H](C(=O)NCCCO)c2ccccc2)cc1 223558661 NBDJHBPJPQLCQG-SANMLTNESA-N 446.547 3.506 0 40 IHAB S=C(NCc1ccc2c(c1)OCO2)Nc1ncc(Br)cc1Br 224043279 VNMKADAYKJFJPJ-UHFFFAOYSA-N 445.136 3.822 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccccn3)c(Cl)c2)cc1 224240808 XIYBGQYIOMMQDV-UHFFFAOYSA-N 429.929 3.799 0 40 IHAB CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C)cc1OC 225192446 WQEFOWQRLXWHTF-YADHBBJMSA-N 435.553 3.954 0 40 IHAB CC[C@@H](C(=O)NCCSC1CCCC1)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O 225295026 IEXPWIARPURHLU-SFHVURJKSA-N 433.039 3.985 0 40 IHAB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)c2C(N)=O)C1 225597026 OWBPKVGELVDMPW-PJSWFKRJSA-N 430.570 3.850 0 40 IHAB COC(=O)c1cccc(NC(=S)NCc2nc(-c3cccc(Br)c3)no2)c1 225825973 SGMQOIWDEBUHJN-UHFFFAOYSA-N 447.314 3.772 0 40 IHAB O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 247757897 YLJFQXSSDQIJRZ-IYJAJMOOSA-N 445.412 3.840 0 40 IHAB C[C@@H]1CC[C@@H]2[C@@H](C1)c1c(ccc(C(=O)NCCCN3CCC(O)CC3)c1O)OC2(C)C 257233643 GQBZOQIFRVMXAI-NSISKUIASA-N 430.589 3.660 0 40 IHAB O=C(c1cccc(Cn2cccn2)c1)N1CCC[C@H]1c1nc(Cc2ccc(F)cc2)n[nH]1 257314625 UXSYPOYDHHMRKX-NRFANRHFSA-N 430.487 3.757 0 40 IHAB Cc1ccc(N([C@H](C)C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)S(C)(=O)=O)cc1 260897526 MVLIVTWTICODIR-OAHLLOKOSA-N 447.582 3.746 0 40 IHAB O=C(O)CN1C(=O)N/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C1=O 408593416 PNTNFGNJQPMKHZ-REZTVBANSA-N 444.274 3.974 0 40 IHAB Cc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)[C@H]5CCCC[C@@H]5C4=O)cc3)CC2=O)cc1 408638637 CVLAHZYLUAOREN-WTNAPCKOSA-N 446.503 3.633 0 40 IHAB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccc(F)cc1 408656524 SVWYXVLRNNCQJV-IRXDYDNUSA-N 442.874 3.894 0 40 IHAB CCCCNC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O 409407789 HUYKJGJODBUENA-GOSISDBHSA-N 445.585 3.627 0 40 IHAB C[C@H]1C[C@H](N2CCOCC2)CN1c1nc(-c2cccnc2)nc2sc3c(c12)CCCC3 520442240 STPCUSPMWPFIHZ-WMZOPIPTSA-N 435.597 3.932 0 40 IHAB O=C(CCC(=O)N1CCSc2ccccc21)N[C@H](CO)c1ccc(C(F)(F)F)cc1 538928933 VWNUHESUBUGWDK-MRXNPFEDSA-N 438.471 3.774 0 40 IHAB Cc1csc(Nc2nccnc2[C@@H]2CCCN(C(=O)/C=C/c3csc(C)n3)C2)n1 585290790 FSAGLOUWNIGSQR-LLYBFZRZSA-N 426.571 4.169 0 40 IHAB COc1ccc(-c2cccc(C(=O)N3CCC(CC(=O)N4CCOCC4)CC3)c2C)cc1 585294160 RMDILNVHOUISAJ-UHFFFAOYSA-N 436.552 3.772 0 40 IHAB O=C(CN1C[C@@H](c2ccccc2)[C@@]2(CCCC(=O)N2)C1)Nc1cccc(C(F)(F)F)c1 2037845651 FTQDPTOCLHBJDN-SIKLNZKXSA-N 431.458 3.782 0 40 IHAB COc1ccc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 710079 ZAVCFDSVXJEOPH-UHFFFAOYSA-N 440.521 3.846 0 40 IHAB COc1ccc(-c2oc3ccccc3c(=O)c2OCC(=O)NCc2ccco2)cc1OC 937796 CDYMZJUWDMZINO-UHFFFAOYSA-N 435.432 3.765 0 40 IHAB CCOCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2CCc2ccccc2)C1=O 2120285 ITKRNTJIELMOCI-ZEQRLZLVSA-N 445.563 3.864 0 40 IHAB biogenic CCOC(=O)CCCNC(=O)COc1ncnc2scc(-c3ccc(Cl)cc3)c12 2640974 ULXKBUSSVMBIIJ-UHFFFAOYSA-N 433.917 3.850 0 40 IHAB CCC(C)(C)NC(=O)CN(C(=O)CCC(=O)Nc1cc(C)ccn1)c1ccc(F)cc1 4849624 XVYDLCAEYOCGKM-UHFFFAOYSA-N 428.508 3.586 0 40 IHAB CC[C@@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(C(=O)OC(C)C)cc2)C1)C(=O)c1ccccc1 8383789 KZYPVTMXUKTQFQ-TZIWHRDSSA-N 437.492 3.809 0 40 IHAB CCCN1C(=O)C(C)(C)COc2cc(NS(=O)(=O)c3ccc(OC)c(F)c3)ccc21 9167608 UXJDASBYBNOCLA-UHFFFAOYSA-N 436.505 3.797 0 40 IHAB Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)S(=O)(=O)c2ccc3c(c2)CCC3)c1C 9377936 OQGASFNWEALAFO-OAQYLSRUSA-N 442.581 3.601 0 40 IHAB CS(=O)(=O)Nc1ccccc1C1=NN(C(=O)c2ccco2)[C@@H](c2ccccc2F)C1 9378566 SLNDPHALNBCVSH-LJQANCHMSA-N 427.457 3.782 0 40 IHAB O=C(Nc1c2c(nn1-c1ccc(F)cc1)C[S@@](=O)C2)c1ccc(Br)cc1 9413550 XFTPBRZUOZNCDC-AREMUKBSSA-N 434.290 3.789 0 40 IHAB O=C(CSc1ccc2nnc(-c3ccc(Cl)cc3)n2n1)NCc1ccc(F)cc1 9414906 OETIQPFRWQNGNH-UHFFFAOYSA-N 427.892 3.992 0 40 IHAB COC(=O)c1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cc(C)on2)cc1 9447871 FRVLMADIKPWGKC-IBGZPJMESA-N 434.379 3.765 0 40 IHAB COc1ccccc1C(=O)COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O 9466157 ACUMPBDWACWOIH-UHFFFAOYSA-N 429.428 3.531 0 40 IHAB CNC(=O)[C@H]1CN(C(=O)Cn2c(-c3ccccc3)cc3ccccc32)c2ccccc2O1 9468976 YZCLCIWZTNLFQA-XMMPIXPASA-N 425.488 3.849 0 40 IHAB O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1cccc(N2C(=O)CCC2=O)c1 9507673 HODNSAWMRAWBMB-UHFFFAOYSA-N 446.532 3.607 0 40 IHAB CCCCc1nc(SCc2cccc(C(F)(F)F)c2)c2c(=O)n(C)c(=O)n(C)c2n1 9517434 ZTIDYHYEXHFCKR-UHFFFAOYSA-N 438.475 3.681 0 40 IHAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CCC(=O)Nc1ccc(Cl)cc1)n2CC(C)C 9520396 HDWPIRZZFSONFF-UHFFFAOYSA-N 445.951 3.567 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)Nc2nc(-c3ccccn3)cs2)cc1 9635422 YUWFXQQOZGFBDG-IBGZPJMESA-N 442.566 3.695 0 40 IHAB CCOCCCn1c(S[C@H](C)C(=O)N(C)c2ccccc2)nnc1-c1ccncc1 9640315 OZPRYXCVNWKQGB-QGZVFWFLSA-N 425.558 3.910 0 40 IHAB C[C@@H](NC(=O)CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)c1ccc2c(c1)CCCC2 9835450 CDWGYSBROASCLB-QGZVFWFLSA-N 441.535 3.798 0 40 IHAB O=C(CCNS(=O)(=O)/C=C/c1ccccc1)Nc1ccc2c(c1)OC1(CCCC1)O2 9963903 WQVRTDJLFPSYCI-RVDMUPIBSA-N 428.510 3.647 0 40 IHAB Cc1ccc(NC(=O)CCc2nnc(S[C@H](C)c3nc4ccccc4c(=O)[nH]3)n2C)cc1 10158467 DLCCFIBQDMYHPA-OAHLLOKOSA-N 448.552 3.785 0 40 IHAB COc1ccccc1N(CC(=O)N1c2ccccc2C[C@@H]1C)S(=O)(=O)c1ccccc1 10449715 YITYPUBRMRVTLX-SFHVURJKSA-N 436.533 3.868 0 40 IHAB C[C@@H](Sc1ncn(-c2ccccc2)n1)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 11941267 QCCCRICBZCHPEU-GFCCVEGCSA-N 447.442 3.752 0 40 IHAB COc1ccc(CC(=O)N2CCC(c3nc4sc5c(c4c(=O)[nH]3)CCCC5)CC2)cc1 12129123 HWCBFYDKVCTMRS-UHFFFAOYSA-N 437.565 3.821 0 40 IHAB CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)CC)c(C)c1 12180389 AOQNCSHCLFKXBY-UHFFFAOYSA-N 429.542 3.834 0 40 IHAB Cc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2CCCN(C)C)cc1Cl 12491844 PDGIHGUOPOQETN-UHFFFAOYSA-N 444.992 3.984 0 40 IHAB CCCS(=O)(=O)Nc1cccc(C(=O)N2CCC[C@@H]2c2ccc(OC)c(OC)c2)c1 12526273 VYHJUXJVFYYJMM-LJQANCHMSA-N 432.542 3.833 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)[C@H]1Cc2cc(Cl)ccc2O1 12630311 RRGISKKUYCHQGK-MRXNPFEDSA-N 435.914 3.540 0 40 IHAB COc1ccc(C(=O)C2CCN(C(=O)CSCC(=O)Nc3ccccc3F)CC2)cc1 12739687 OLYMZOCHAPSUKO-UHFFFAOYSA-N 444.528 3.628 0 40 IHAB COc1ccc(-c2csc3nc(C)nc(N4CCC[C@@H]4C(=O)N(C)C)c23)cc1OC 12817394 XLAOTVOGXCZPPO-MRXNPFEDSA-N 426.542 3.741 0 40 IHAB C[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1cccc(C2SCCS2)c1 12849138 VMSWANPMVRCYEL-GFCCVEGCSA-N 426.560 3.610 0 40 IHAB COc1cccc(NC(=O)CN(C)C(=O)c2ccc(OCc3csc(C)n3)cc2)c1 12862239 JIUGLYKSWGJQNA-UHFFFAOYSA-N 425.510 3.750 0 40 IHAB O=C(c1ccc(Br)cc1)N1CCN(Cc2nc(-c3ccsc3)no2)CC1 13003675 SVEAGSCLWGKSFI-UHFFFAOYSA-N 433.331 3.519 0 40 IHAB O=C(Cc1ccc(Cl)cc1Cl)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 13125965 RVKGFJOAOSKMHQ-MDWZMJQESA-N 439.364 3.681 0 40 IHAB CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)c2cc(C)n(-c3nccs3)c2C)C1=O 13149107 GPMOLHSRDIWQTK-QHCPKHFHSA-N 436.537 3.981 0 40 IHAB COc1cc([C@@H]2CC(=O)Nc3nc(SC)[nH]c(=O)c32)ccc1OCc1ccccc1C 13567341 KILYYLMLMMOSTA-INIZCTEOSA-N 437.521 3.862 0 40 IHAB COc1cccc([C@@H]2CC(=O)Nc3nc(SCc4ccc(F)cc4)[nH]c(=O)c32)c1OC 13567351 IYBKTFYCBAXJJM-HNNXBMFYSA-N 441.484 3.693 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CC3)cc1F 13696224 GYBSDPLDJKGYCM-UHFFFAOYSA-N 432.498 3.900 0 40 IHAB CC[C@H](C(=O)Nc1cc(OC)c(Cl)cc1OC)N(c1ccc(F)cc1)S(C)(=O)=O 13715862 OLDWXKQEHVBUGY-MRXNPFEDSA-N 444.912 3.680 0 40 IHAB Cc1nc(COc2ccccc2C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)no1 14802669 SXFZZIQCLNRIQI-UHFFFAOYSA-N 426.860 3.990 0 40 IHAB CCCCOC(=O)c1ccc(N2CC3=C(C2=O)[C@H](c2ccc(C)cc2)NC(=O)N3C)cc1 15108310 BSGQLVMAHJNIOH-QFIPXVFZSA-N 433.508 3.949 0 40 IHAB Cc1nc(-c2ccc(CNC(=O)Cn3cnc4c(oc5ccccc54)c3=O)s2)cs1 15616166 YOVFTQOGWKPCFP-UHFFFAOYSA-N 436.518 3.953 0 40 IHAB COc1ccccc1CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 18076246 OJVDLYIOFRFRQZ-UHFFFAOYSA-N 436.961 3.795 0 40 IHAB CNC(=O)[C@]1(Cc2ccc(-c3cccc(C)c3)cc2)CN(C(=O)c2ccccc2)CCO1 19235371 MAZOAUOJDBSDHA-MHZLTWQESA-N 428.532 3.862 0 40 IHAB Cc1nc(CN(C)C(=O)C2CCCC2)nc2c1CCC(=O)N2CCc1c[nH]c2ccccc12 19698432 GNDPNNLJHPQIBJ-UHFFFAOYSA-N 445.567 3.937 0 40 IHAB COc1ccc(S(=O)(=O)N2CC[C@@H](c3cc(COc4cccc(F)c4)[nH]n3)C2)cc1C 19704343 VCJYSMKYCPRXFM-MRXNPFEDSA-N 445.516 3.623 0 40 IHAB CCCNS(=O)(=O)c1cc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)ccc1OC 20025070 KEKOPTNHZRVTAB-UHFFFAOYSA-N 434.411 3.794 0 40 IHAB CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N3CCc4ccccc4C3)c2)CC1 20062654 GISRMAODSHDDEQ-UHFFFAOYSA-N 432.973 3.959 0 40 IHAB O=C(CN1C(=O)[C@@]2(SCC(=O)N2c2ccc(F)cc2)c2ccccc21)Nc1ccccc1 20574066 CRFRYJRPPHSXPU-DEOSSOPVSA-N 447.491 3.744 0 40 IHAB O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)NCCc1nnc2ccccn12 21402207 VSYLCUZLYPWVQO-UHFFFAOYSA-N 430.295 3.983 0 40 IHAB Cc1ccc(NC(=O)CN(C)C(=O)CSc2nnc(Nc3ccccc3)s2)cc1 22357267 VWGQFSNSJYFAHH-UHFFFAOYSA-N 427.555 3.779 0 40 IHAB Cc1nc2sc([C@H](c3ccc(F)cc3)N3CCN(c4ccc(F)cc4)CC3)c(O)n2n1 23157545 RBSJEXZLQAVTRF-IBGZPJMESA-N 441.507 3.995 0 40 IHAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)NCCC3=CCCCC3)c12 25717060 URYVQNCTCAZALL-GOSISDBHSA-N 442.585 3.597 0 40 IHAB CCOc1ccc(C(=O)N(Cc2c(F)cccc2Cl)[C@H]2CCS(=O)(=O)C2)cc1 27663544 MVENZFWMVDVMPS-HNNXBMFYSA-N 425.909 3.707 0 40 IHAB Cc1cc(Cl)ccc1OCC(=O)Nc1ccccc1N1CCN(C(=O)C(C)C)CC1 32127502 CAWYJAYLYHKLFP-UHFFFAOYSA-N 429.948 3.971 0 40 IHAB Cc1cc(OCC(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)ccc1C(C)C 32859792 XNEKNXIUSGPEKB-SFHVURJKSA-N 437.540 3.720 0 40 IHAB O=C(Cc1csc(COc2ccc(F)cc2)n1)NCCc1ccc2c(c1)OCCO2 32892786 VMMUQDPDYJNXOM-UHFFFAOYSA-N 428.485 3.534 0 40 IHAB CCc1ccc([C@H](Cn2cnc3c4c(sc3c2=O)SCC(=O)N4)N2CCCC2)cc1 35671570 GPDURFMIQAYBHW-INIZCTEOSA-N 440.594 3.902 0 40 IHAB CC(=O)Nc1ccc(NC(=O)CSCc2nc3sc(C(C)C)cc3c(=O)[nH]2)cc1 36359153 PZLZNQCUVNHBBI-UHFFFAOYSA-N 430.555 3.938 0 40 IHAB CC[C@@H](C)[C@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)N1CCSCC1 36593947 SXLUDOXHUCJRIV-BEFAXECRSA-N 442.610 3.807 0 40 IHAB Cc1cc(CN2CCN([C@@H](C)C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)no1 39519767 MHEZNTVZZMPMRF-ZDUSSCGKSA-N 430.858 3.800 0 40 IHAB CC(C)(C)[C@H](NC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cccs1 48250073 OIQOJTBKASBTOK-GOSISDBHSA-N 437.587 3.678 0 40 IHAB Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NCCNC(=O)c1ccccc1 48290656 PGJGWZOZKGSVFC-UHFFFAOYSA-N 445.350 3.885 0 40 IHAB COc1ccc(Cl)cc1NC(=O)Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21 57428944 WZMXQQPNYVOZET-UHFFFAOYSA-N 441.896 3.515 0 40 IHAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)CN1CCN(c2cccc(C)c2C)CC1)CC3 61880695 DQJQUIVKSRXPJX-UHFFFAOYSA-N 432.568 3.500 0 40 IHAB COc1ccc(C(=O)N2CCC(c3nc(-c4ccc5c(c4)OCO5)no3)CC2)cc1F 67205864 YEQPPEWGVGKLEN-UHFFFAOYSA-N 425.416 3.633 0 40 IHAB CC(=O)N1CCC(C(=O)N2CCCC[C@H]2c2nc(N)ncc2-c2ccc(Cl)cc2)CC1 72377166 PWTDJKCSLJXYJY-FQEVSTJZSA-N 441.963 3.691 0 40 IHAB O=C(NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1n[nH]c2ccccc12 89866694 FMIMXALAIBPPTQ-UHFFFAOYSA-N 431.462 3.524 0 40 IHAB CCOC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N(CC)C(=O)c1ccc(CNC(C)=O)o1 89960807 MUIDLRUEUWMUDF-SFHVURJKSA-N 441.311 3.989 0 40 IHAB Cc1c(C(=O)NCc2nn(C3CCCC3)c(=O)c3ccccc23)cnn1-c1ccccc1 90504276 XTFPZWFARPGWJW-UHFFFAOYSA-N 427.508 3.936 0 40 IHAB Fc1ccccc1[C@H](c1nnnn1Cc1ccccc1)N1CCN(Cc2ccccc2)CC1 95232856 XNTZWEDBVDWZOZ-RUZDIDTESA-N 442.542 3.768 0 40 IHAB COc1cc(C(=O)NC2CCN(c3cc(-c4ccccc4)n[nH]3)CC2)cc(OC)c1OC 98212578 BOFOZHLXZCAFSJ-UHFFFAOYSA-N 436.512 3.501 0 40 IHAB CC(=O)Nc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 102763571 IYRVNKAGCDPRBN-DNVJHFABSA-N 445.450 3.835 0 40 IHAB NC(=S)[C@@H]1[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Br)cc1 218244764 DMMXXYQEZOSGJJ-KKUMJFAQSA-N 430.776 3.945 0 40 IHAB O=C(NCCCc1ccccc1Cl)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 219753662 QBNJGHNXHLWCMH-LJQANCHMSA-N 441.380 3.896 0 40 IHAB CCOc1ccc(CCCNC(=O)[C@H](C)N(c2ccc(CC)cc2)S(C)(=O)=O)cc1 220289631 NCNNKHPQYYIWMV-SFHVURJKSA-N 432.586 3.551 0 40 IHAB CC[C@@H](C(=O)Nc1ccccc1Br)N(c1ccc(OC)cc1)S(C)(=O)=O 220639357 FGTGLGKWSYMVRQ-KRWDZBQOSA-N 441.347 3.641 0 40 IHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(N(CC)S(=O)(=O)CC)cc1 222395523 VISNMEWJXOXPEQ-INIZCTEOSA-N 431.558 3.643 0 40 IHAB CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1cccc(C)c1 223079860 GBQOEJTUAZFCDR-INIZCTEOSA-N 433.346 3.690 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1(c2ccccc2)CCOCC1 223105457 LPMRLCDAJQCOON-UHFFFAOYSA-N 428.554 3.548 0 40 IHAB Cc1cc(C)c(S(=O)(=O)NCc2nc(-c3cccc(Br)c3)no2)c(C)c1 223758629 BOKBZPNHEBBRNQ-UHFFFAOYSA-N 436.331 3.903 0 40 IHAB CC[C@@H](C(=O)NCCOc1cccc(C)c1C)N(c1cc(C)cc(C)c1)S(C)(=O)=O 223955428 HJHBWXGCTJWZOW-NRFANRHFSA-N 432.586 3.660 0 40 IHAB CS(=O)(=O)N(Cc1ccc(C(=O)NCC2=CCCCC2)cc1)c1ccc2c(c1)OCO2 224757622 PGZYFPPPCGYJHI-UHFFFAOYSA-N 442.537 3.612 0 40 IHAB CCC1(CC)C[C@@H](NC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)c2ccccc2O1 225046102 VNHLJVNXKVUQAP-HXUWFJFHSA-N 446.569 3.660 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)CC2)cc1 225480384 KYWMYDNNQVBHLF-OAQYLSRUSA-N 442.581 3.814 0 40 IHAB CC1CCN(c2cc(N3CCCC[C@@H]3C)nc(NC(=S)NCc3cccnc3)n2)CC1 225940289 IAMUPWWANJJTOS-SFHVURJKSA-N 439.633 3.973 0 40 IHAB Cc1nc([C@]2(O)CCCN(Cc3cnn(C)c3C)CC2)sc1CCOc1ccccc1 257312514 UOIGGONBGSKDGR-DEOSSOPVSA-N 440.613 3.989 0 40 IHAB COc1ccc(Cl)cc1C(=O)N1CCN([C@@H](CCC(=O)O)c2ccc(F)cc2)CC1 408604771 FBPUWGZTKPQXEG-IBGZPJMESA-N 434.895 3.852 0 40 IHAB CCOc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3c(CC)cccc3CC)C2)cc1 408666825 STUOQIDDTFZIIR-IBGZPJMESA-N 438.524 3.745 0 40 IHAB C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)N(C)Cc2ccccc2)cc1)c1ccccc1 409128525 FIDVCSLUQVNAAY-LJQANCHMSA-N 438.549 3.764 0 40 IHAB COCCNC(=O)CSc1nnc(CCc2ccccc2)n1-c1ccc(Cl)cc1 409217294 OTDFDRAMCQMHPD-UHFFFAOYSA-N 430.961 3.561 0 40 IHAB CCc1cccc(C)c1NC(=O)CSc1nnc(CNC(=O)c2ccccc2C)n1C 409328958 BCMXIIXAPRLMCD-UHFFFAOYSA-N 437.569 3.655 0 40 IHAB CCCOc1c(I)cc(/C=C2\SC(=O)N(C)C2=O)cc1OC 409340678 AJAVPGRZAJVSTM-WQLSENKSSA-N 433.267 3.755 0 40 IHAB O=C1CN(C2CCN(Cc3csc(-c4ccccc4)n3)CC2)C(=O)N1CC(F)(F)F 585148531 VAQWVRWATAHLDT-UHFFFAOYSA-N 438.475 3.601 0 40 IHAB CC(=O)N1CCC(NC(=O)[C@H](Oc2ccccc2Br)c2ccccc2)CC1 612168804 VTBFXSZDGPCXBJ-HXUWFJFHSA-N 431.330 3.696 0 40 IHAB Cc1cc(S(=O)(=O)N2CCC[C@]3(CCCN(c4ncccn4)C3)C2)c(C)cc1Cl 2056224411 PUKZLRSJLWSSKW-NRFANRHFSA-N 434.993 3.818 0 40 IHAB Cc1c(C(=O)Nc2ccccc2)sc2ncn(CC(=O)OC3CCCCC3)c(=O)c12 791178 NMNWSHGLDACXIU-UHFFFAOYSA-N 425.510 3.895 0 40 IHAB O=C(Nc1ccccc1O)c1ccc(Br)c(S(=O)(=O)N2CCCCC2)c1 990272 AKWHAXZSGHUJBX-UHFFFAOYSA-N 439.331 3.582 0 40 IHAB CCc1ccc2c(c1)cc(CN(C(=S)NC[C@@H]1CCCO1)C1CCCC1)c1nnnn12 1346603 TUMKZVSRDOEAPK-FQEVSTJZSA-N 438.601 3.638 0 40 IHAB O=C(NCCNC(=O)c1cc(Cl)cc(Cl)c1O)c1cc(Cl)cc(Cl)c1O 1608075 SQXZPQQDNPXFBI-UHFFFAOYSA-N 438.094 3.871 0 40 IHAB Cc1ccc(-n2c(SCC(N)=O)nc3sc4c(c3c2=O)CC(C)(C)SC4)cc1 1855731 MLOJABPGLLZBKJ-UHFFFAOYSA-N 431.608 3.901 0 40 IHAB COC(=O)c1sccc1NC(=O)c1ccccc1C(=O)Nc1ccsc1C(=O)OC 2085691 BISMAXOIPQMCTR-UHFFFAOYSA-N 444.490 3.887 0 40 IHAB O=C(CSc1nnc(-c2ccncc2)n1Cc1ccco1)Nc1ccc(F)c(F)c1 2376936 XALMVAUHWIBMFZ-UHFFFAOYSA-N 427.436 3.990 0 40 IHAB Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3Cl)oc2N2CCN(C)CC2)cc1 3238881 IJZRJYXXPNUMQH-UHFFFAOYSA-N 431.945 3.888 0 40 IHAB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccc(F)cc2)cc1 3481234 RJVCRGVZNJWXBR-UHFFFAOYSA-N 427.453 3.691 0 40 IHAB CC(=O)c1ccc(OC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)cc1 3517819 ZRXPFYGLMUEPKI-UHFFFAOYSA-N 435.501 3.855 0 40 IHAB CC[C@H](C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 6821281 VZDBJVDHCDKYGO-HNNXBMFYSA-N 439.375 3.555 0 40 IHAB CCCOC(=O)c1cccc(NC(=O)CSc2nnc(Cc3ccc(OC)cc3)o2)c1 8442046 KXLARRDIWCMXMU-UHFFFAOYSA-N 441.509 3.967 0 40 IHAB O=C(COC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O)NCCC1=CCCCC1 9119761 AEMZHWVFASOSSS-UHFFFAOYSA-N 448.519 3.766 0 40 IHAB COc1ccc(NC(=O)c2ccc(NC(=O)CSc3nnc(C4CC4)n3C)cc2)cc1 9218737 VIHVHZRPKXERPJ-UHFFFAOYSA-N 437.525 3.684 0 40 IHAB CCCc1nnc2n1N[C@H](c1ccc(OC)cc1)[C@H](C(=O)Nc1ccc(F)cc1)S2 9239076 DVTKRFBQHUUONR-RTBURBONSA-N 427.505 3.776 0 40 IHAB O=C(COc1ccccc1/C=C1/NC(=O)N(Cc2ccc(F)cc2)C1=O)Nc1ccccc1 9260525 MOLDDGWFYSGKOD-KGENOOAVSA-N 445.450 3.936 0 40 IHAB Cc1ccccc1OCc1nnc(S[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)n1C 9303703 NHPLOASVWXQDAD-AWEZNQCLSA-N 426.498 3.551 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 9306296 XLDXSYZBPJHJNL-KRWDZBQOSA-N 429.325 3.794 0 40 IHAB COc1cc(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)cc(OC)c1 9546763 NZVYTKFGTSEXDV-JOCHJYFZSA-N 430.460 3.550 0 40 IHAB COc1cc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)cc(OC)c1 9546766 NZVYTKFGTSEXDV-QFIPXVFZSA-N 430.460 3.550 0 40 IHAB O=C(Nc1nc(-c2cccnc2)cs1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 9632705 GCNRODYSZUTXSP-UHFFFAOYSA-N 448.957 3.895 0 40 IHAB COc1ccc2cc([C@@]3(C)NC(=O)N(CC(=O)N4CCCc5ccccc54)C3=O)ccc2c1 9792247 GFCFZIWQUWEQQJ-AREMUKBSSA-N 443.503 3.595 0 40 IHAB CSc1ccc(CN(C)C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 9801047 ZVWLMLQELUCYDS-UHFFFAOYSA-N 447.626 3.925 0 40 IHAB COc1ccc(C(=O)NCC2(c3ccccc3)CC2)cc1S(=O)(=O)N1CCCCCC1 10423518 ZHBZQIHFZSZPFN-UHFFFAOYSA-N 442.581 3.722 0 40 IHAB CNC(=O)c1c(NC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)sc2c1CCCC2 11915980 VTOVXIAINIEXCO-UHFFFAOYSA-N 439.493 3.665 0 40 IHAB Cc1cc(C)cc(O[C@H](C)C(=O)N2CCC(c3cc(C(F)(F)F)n4ncnc4n3)CC2)c1 12188554 AAJBEIWNHGCSSI-OAHLLOKOSA-N 447.461 3.933 0 40 IHAB COc1cc(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)cc(OC)c1OC 12418578 OOKWNWMFBAPBHO-UHFFFAOYSA-N 428.466 3.859 0 40 IHAB biogenic,in-vitro CC(C)c1ccccc1-n1ccnc1S[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 12603914 CYKZTNUTPBAVJQ-HNNXBMFYSA-N 444.582 3.762 0 40 IHAB CCc1ccc(OCC(=O)Nc2sc3c(c2C(=O)N2CCOCC2)CCCC3)cc1 12795984 MOBKGTHGRRDXOU-UHFFFAOYSA-N 428.554 3.679 0 40 IHAB COc1ccccc1[C@@H](CNC(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C)N1CCCC1 12912078 ZAJHCWXZMGZGSI-JOCHJYFZSA-N 446.551 3.634 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 12987937 FPRTZRLRTMAGLW-UHFFFAOYSA-N 425.510 3.542 0 40 IHAB CCOc1ccc(C(=O)N(CC(=O)Nc2ccccc2OC)Cc2ccco2)cc1OC 13096376 KRSLEQFVTBMKND-UHFFFAOYSA-N 438.480 3.977 0 40 IHAB CC(=O)Nc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc3ccccc3c2)cc1 13566778 SHBBKLFVCGBIPI-JOCHJYFZSA-N 437.521 3.590 0 40 IHAB COC(=O)C1CCN(C(=O)COC(=O)CSc2cccc3cccc(Cl)c23)CC1 13930229 QGJMWCFEKBWIPV-UHFFFAOYSA-N 435.929 3.540 0 40 IHAB C[C@H](NCC(=O)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1)c1ccc2c(c1)CCCC2 14112731 ORVOVTKMDFDFNB-FDDCHVKYSA-N 432.630 3.564 0 40 IHAB O=c1c2c3c(sc2ncn1C[C@H](O)COc1cccc(Br)c1)CCCC3 14185088 AMVPSFNADFNPAB-ZDUSSCGKSA-N 435.343 3.539 0 40 IHAB COc1ccc([C@@H](NC(=O)CCc2c(C)c3ccc(C)cc3oc2=O)c2nccn2C)cc1 16476740 IQEDPWASUCASGV-XMMPIXPASA-N 445.519 3.990 0 40 IHAB CS(=O)(=O)c1cccc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)c1 18157366 OEEDEHCQRYHBMH-UHFFFAOYSA-N 431.517 3.873 0 40 IHAB O=C(c1ccc(F)cc1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(CC1CCCCC1)CC2 19331990 ZJCAHXIYASGFQI-JOCHJYFZSA-N 438.547 3.825 0 40 IHAB CCn1cc(CN2CCC(C[C@@H]3CC(c4ccc(F)cc4)=NO3)(C(=O)O)CC2)c(C)n1 19524512 PHCDGRBZHQSPBF-FQEVSTJZSA-N 428.508 3.601 0 40 IHAB COc1cccc(C(=O)N2CCC[C@H](c3cc(C(=O)Nc4ccc5nc[nH]c5c4)on3)C2)c1 19564410 IWBVRFDQANNXEE-INIZCTEOSA-N 445.479 3.832 0 40 IHAB Cc1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)CCCN4CCCC4=O)C3)noc2n1 19568619 JVNOIIGIMNAKNB-CQSZACIVSA-N 438.450 3.659 0 40 IHAB CN(C)c1ncc(-c2ccncc2)c([C@H]2CCCCN2C(=O)COc2ccccc2F)n1 19585228 PFMBPWBCWLXIHA-HXUWFJFHSA-N 435.503 3.876 0 40 IHAB O=C(Cn1nnc2ccccc21)N1CCO[C@H](c2ccc(Cc3ccccc3Cl)cn2)C1 19692916 BXEQHUGEBVMSID-QHCPKHFHSA-N 447.926 3.671 0 40 IHAB CC1CCN(C(=O)CN2CCO[C@@H](c3nccnc3-c3cccc(C(F)(F)F)c3)C2)CC1 19693232 BKPFANDXBNMXKI-LJQANCHMSA-N 448.489 3.794 0 40 IHAB CCn1cc(CN2CCC[C@H]2c2nc(C)c3c(n2)N(CCc2ccccc2)C(=O)CC3)cn1 19741751 LMYPIVXQJKKWSS-QHCPKHFHSA-N 444.583 3.860 0 40 IHAB Cc1ncc(C(=O)N2CCCC2)c(CC2CCN(C(=O)c3ccc4c(c3)CCCC4)CC2)n1 19757083 RYIBEHDFFYYDLQ-UHFFFAOYSA-N 446.595 3.995 0 40 IHAB O=C(Nc1ccc(F)c(F)c1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 20008399 QSCFUYZBKYSMBE-FQEVSTJZSA-N 434.439 3.632 0 40 IHAB CCOc1ccc(N(CC(=O)N(C)Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1 22274427 OEAFBSRUIAIXJP-UHFFFAOYSA-N 438.549 3.939 0 40 IHAB O=C(CN1Cc2ccccc2C[C@@H]1C(=O)N1CCCC1)Nc1ccccc1C(F)(F)F 22406660 NKKKVMDSAJSFIT-HXUWFJFHSA-N 431.458 3.693 0 40 IHAB CN1CCN([C@H](CNC(=O)COc2ccc(Cl)cc2Cl)c2ccsc2)CC1 22765637 ZEEXYSHFHQHWCP-QGZVFWFLSA-N 428.385 3.539 0 40 IHAB O=C(CN1CCN(Cc2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)CC1)NC1CC1 22918878 PUOVLVHPZBXUTH-UHFFFAOYSA-N 449.986 3.589 0 40 IHAB Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)cc1 23043520 HKOATAPKYFIFGB-OAHLLOKOSA-N 444.582 3.510 0 40 IHAB O=C(CCn1cnc2ccc(Br)cc2c1=O)OCc1nc2ccccc2s1 23441889 BDDOSIFSKPVKMG-UHFFFAOYSA-N 444.310 3.902 0 40 IHAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NCc2ccccc2Cn2cccn2)cc1 24624592 FOUVEIMSCYBBCN-UHFFFAOYSA-N 449.514 3.869 0 40 IHAB Cn1c(=O)c2ccccc2n2c(CSc3nc4c(n3-c3ccccc3)CCCC4)nnc12 24731986 RVQMLYXGBMWYLI-UHFFFAOYSA-N 442.548 3.938 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccc(Cl)o2)c1 25012422 BMZPQXUTGIHDCV-UHFFFAOYSA-N 425.938 3.816 0 40 IHAB COc1ccc([C@@H]2CCCN2C(=O)CCn2cnc3sc(C)c(C)c3c2=O)cc1OC 25618672 GXPWQSHJFGHUAB-KRWDZBQOSA-N 441.553 3.846 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1NC(=O)Cc1ccc(F)cc1 26738193 WDWIOGUUWGWNTH-UHFFFAOYSA-N 444.484 3.825 0 40 IHAB CSc1ncc(Cl)c(C(=O)Nc2nnc(SCC(=O)c3ccccc3)s2)n1 27742977 IWJVEMAPKKYSCP-UHFFFAOYSA-N 437.959 3.931 0 40 IHAB CC(C)c1ccc(-c2cc(C(=O)N3CCN(S(C)(=O)=O)CC3)c3ccccc3n2)cc1 28227144 VIHOZHPNMLTNLQ-UHFFFAOYSA-N 437.565 3.743 0 40 IHAB O=C(Cn1nc(-c2cccs2)oc1=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 30971588 LPIVJIZJJFCHEQ-ZDUSSCGKSA-N 426.479 3.597 0 40 IHAB CN(Cc1nccn1C(F)F)C(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1 31152705 YONBZTZVUNKBQI-KRWDZBQOSA-N 426.467 3.942 0 40 IHAB C[C@@H](NC(=O)Cn1cnc2ccccc2c1=O)c1cccc(NC(=O)c2ccccc2)c1 32925151 DTSYLWCBQVAMQP-QGZVFWFLSA-N 426.476 3.526 0 40 IHAB c1ccc(-c2csc3nc(CN4CCOCC4)nc(-n4nnc5ccccc54)c23)cc1 33414558 FIAIVFDUQASJSI-UHFFFAOYSA-N 428.521 3.924 0 40 IHAB C=CCOc1ccc2ccccc2c1/C=C1\NC(=O)N(Cc2ccc(C(=O)OC)o2)C1=O 33653515 XJHZIXRZECJAME-UYRXBGFRSA-N 432.432 3.877 0 40 IHAB C#CCOc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCCCC3)C2=O)cc1OCC 33736169 OYRQDGJXVKWQQO-HKWRFOASSA-N 442.537 3.536 0 40 IHAB Cc1ccc(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1Cl 38849710 GXPCWZRFNKVCRU-KRWDZBQOSA-N 429.325 3.858 0 40 IHAB Cc1noc2nc(-c3ccccc3F)cc(C(=O)N3CCC[C@@H](C(=O)NCC(C)C)C3)c12 40117738 OCPFHYZJQZPSAE-MRXNPFEDSA-N 438.503 3.962 0 40 IHAB CC[C@H](C)n1c(=O)c2ccccc2n(CC(=O)N2CCC(Cc3ccccc3)CC2)c1=O 44840492 KEMXKCVQKIIPNC-IBGZPJMESA-N 433.552 3.616 0 40 IHAB COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)N[C@H](C)C(=O)NC(C)(C)C)c1 48310959 BZVRZRJUKXMCSR-QGZVFWFLSA-N 434.540 3.640 0 40 IHAB COc1ccc(NC(=O)NCc2cccnc2N2CCOCC2)cc1OC1CCCC1 58090821 XWABYLBDDCQHGL-UHFFFAOYSA-N 426.517 3.570 0 40 IHAB NC(=O)CCN(Cc1ccccc1)C(=O)CNC1(c2ccc(Cl)cc2)CCCCC1 60368007 ZQXZSBYIEOBSLV-UHFFFAOYSA-N 427.976 3.993 0 40 IHAB COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)CSc1ccccc1C 60388030 SGMKGIGMDKEEEV-SFHVURJKSA-N 429.538 3.793 0 40 IHAB C[C@H]1CC[C@H]2[C@H](C)[C@H]3C[C@H](O)[C@@H]4[C@@H](C[C@H]5[C@H]4C[C@@H](O)[C@H]4C[C@H](O)CC[C@@]45C)[C@@H]3CN2C1 70688107 OFBFDCQSKGYUKF-UWVSPIJDSA-N 431.661 3.534 0 40 IHAB biogenic CC(=O)Nc1cccc(-c2cccc([C@H]3CCCN(CC(=O)Nc4nccs4)C3)n2)c1 72348898 RJFIWHUHUBTXCN-SFHVURJKSA-N 435.553 3.982 0 40 IHAB CCN(CC)S(=O)(=O)N1CCC[C@@H](c2cc(Nc3cccc(OC)c3)cc(C)n2)C1 72352075 WGZTYWWRYSPXMZ-GOSISDBHSA-N 432.590 3.908 0 40 IHAB CCn1cc(S(=O)(=O)N2CCC[C@H](c3ccc(Nc4cccc(C)n4)cn3)C2)c(C)n1 72353400 XLGHAFZUEDTVEX-SFHVURJKSA-N 440.573 3.622 0 40 IHAB CNC(=O)c1sc2ccccc2c1C[C@H]1CCCCCN1C(=O)CCc1nc(C)no1 72370705 UMCDBFJTCPXXOT-MRXNPFEDSA-N 440.569 3.899 0 40 IHAB Cc1cc(C)nc(Nc2cccc([C@H]3CCCN3C(=O)CN3CCc4ccccc4C3)n2)n1 72375328 MSLVARWKBIARPA-HSZRJFAPSA-N 442.567 3.954 0 40 IHAB O=C([C@H]1COc2ccccc2O1)N1CCC[C@@H](c2nnc(-c3ccccc3F)s2)C1 77177470 VIWXZNXCSNJYLZ-AUUYWEPGSA-N 425.485 3.890 0 40 IHAB Cc1ccc(NC(=O)OC(C)(C)C)cc1OC(=O)CCc1c(C)nc2ncnn2c1C 95455883 WNTUASTUFDSOTO-UHFFFAOYSA-N 425.489 3.935 0 40 IHAB O=S1(=O)c2ccccc2O[C@H]2CCN(Cc3cccnc3)CC[C@@H]2N1Cc1ccccc1 96263949 NYVICGZGQJFHDB-GOTSBHOMSA-N 449.576 3.698 0 40 IHAB CNC(=O)c1cc([C@H]2CC[C@H](CNC(=O)CCc3c(C)n[nH]c3C)CC2)nc2ccccc12 100658056 RCQSPFKGNNQKJJ-KDURUIRLSA-N 447.583 3.957 0 40 IHAB CC1([C@H]2CC[C@H]3[C@@H]4CC[C@@H]5CC6(CC[C@]5(C)[C@H]4[C@H]4C[C@@]32C(=O)O4)OCCO6)OCCO1 118918193 SPCOYRJFXKKGPF-GFYMBCMCSA-N 432.557 3.667 0 40 IHAB CC[C@H](C(=O)N[C@H]1CC(C)(C)Oc2ccccc21)N(c1ccc(F)cc1)S(C)(=O)=O 219114736 OPZVUHJPMXORFQ-RBUKOAKNSA-N 434.533 3.789 0 40 IHAB Cc1ccc(CSCCNC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)cc1 219699845 XMXKBVLQFSJNAS-UHFFFAOYSA-N 442.606 3.818 0 40 IHAB CC[C@H](C(=O)NCc1ccccc1Cl)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 220750102 QXJXCYCTGDBKLO-QGZVFWFLSA-N 445.368 3.863 0 40 IHAB COc1ccc(C(=O)N2C[C@@H](C(=O)NCCc3ccccc3)Oc3ccccc32)cc1C 222961753 FMOFHGXKRZIYIA-DEOSSOPVSA-N 430.504 3.770 0 40 IHAB CC(C)(Cc1ccccc1)NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 223099365 CKPJNFBNBAHNBX-UHFFFAOYSA-N 432.561 3.505 0 40 IHAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(OC)cc1 223586279 UADYIXWABWFARQ-JOCHJYFZSA-N 442.556 3.805 0 40 IHAB CCC1(CC)C[C@@H](NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)c2ccccc2O1 223762051 GWPIDHCNSULQQT-HXUWFJFHSA-N 428.554 3.957 0 40 IHAB COc1ccc(S(=O)(=O)N(C)Cc2ccccc2F)cc1C(=O)N1CCCCCC1 223875753 WLMKQKAACGJWMX-UHFFFAOYSA-N 434.533 3.671 0 40 IHAB CCn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(N2CCOCC2)cc1 223953794 VXRUWSGVNSFVBF-PKTZIBPZSA-N 433.581 3.917 0 40 IHAB C[C@@H]1Cc2cc(CN3CCC[C@](Cc4ccccc4-c4cncnc4)(C(N)=O)C3)ccc2O1 253594218 SVTOYUQVPXKJDV-XHCCPWGMSA-N 442.563 3.777 0 40 IHAB Cc1cc(Nc2ccccn2)cc([C@@H]2CN(C(=O)CN(C)Cc3ccccc3F)CCO2)n1 257240440 HTMZSMWPQSNFJR-QHCPKHFHSA-N 449.530 3.700 0 40 IHAB Cc1nc([C@@H]2CCCN(C(=O)c3cccnc3)C2)nc(C)c1CC(=O)Nc1ccccc1F 257324577 WPHWSQFYFJXSLC-LJQANCHMSA-N 447.514 3.829 0 40 IHAB CC(C)C[C@]1(O)CCN(CC(=O)N2CCc3ccccc32)C[C@@H]1Oc1ccc(F)cc1 257337606 YTNNNLHZNRZICU-UKILVPOCSA-N 426.532 3.645 0 40 IHAB COc1ccc(C(=O)N2CCC[C@](C)(c3cc(N)nc(C)n3)C2)cc1NCc1ccncc1 257341487 ZKOJYNQVVGDYKH-VWLOTQADSA-N 446.555 3.577 0 40 IHAB O=C(O)/C(=C/c1ccc(N2CCOCC2)o1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 408633594 KRMFBVBKJDZIQU-PTNGSMBKSA-N 432.889 3.773 0 40 IHAB CCOC(=O)c1ccc(NC(=O)c2ccccc2N2C(=O)[C@H]3CC=C(C)C[C@@H]3C2=O)cc1 408678518 FQZHVAHOMQNIKV-ICSRJNTNSA-N 432.476 3.961 0 40 IHAB CCOc1ccc(C(=O)N(C)Cc2nnc(-c3ccc(OC)c(OC)c3)o2)cc1OCC 408714375 PQZRRINDQHYUCS-UHFFFAOYSA-N 441.484 3.823 0 40 IHAB CCc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)cc1 409163462 RWNJZJVDVMIZPY-OAHLLOKOSA-N 434.414 3.803 0 40 IHAB CCOc1cc(/C=C2/SC(=O)N(CCCOC)C2=O)c(Br)cc1OC 409231748 KHULJXGYBIJCRV-OQLLNIDSSA-N 430.320 3.929 0 40 IHAB C[C@@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2ccccc2Cl)n1C 409348497 SYMOCAVGCGCTEU-CYBMUJFWSA-N 429.933 3.690 0 40 IHAB C[C@@H]1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2nnc(O)c3ccccc23)c1 519105884 IXVYMZZLINWTNP-CQSZACIVSA-N 437.475 3.540 0 40 IHAB Cc1c(C(=O)Nc2ccc(-c3nc(=O)o[nH]3)cc2)nnn1-c1ccc(-c2ccccc2)cc1 527205516 VZJCSTXADFTMFM-UHFFFAOYSA-N 438.447 3.838 0 40 IHAB O=C(COc1ccc2ccccc2c1)NC[C@H]1OCCc2cn(Cc3ccccc3)nc21 585111659 ZKHKHMXTGBVYRV-XMMPIXPASA-N 427.504 3.894 0 40 IHAB C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)N2CC(=O)NC[C@H]2c2ccccc2)C1 1666807855 XWQSWWGCIYEUNC-HMFYCAOWSA-N 434.540 3.510 0 40 IHAB CCOc1ccc2[nH]c(=O)c(CN(C[C@@H](C)O)C(=S)Nc3ccc(C)cc3)cc2c1 1332304 CVFHXYNFZJOKKF-MRXNPFEDSA-N 425.554 3.815 0 40 IHAB COc1ccc(OC)c(NC(=O)CSc2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)c1 1368122 NQPGHHGSDIKOLA-NSHDSACASA-N 445.566 3.857 0 40 IHAB CCN(CC)C(=O)/C(=C/c1cn(C)c2ccccc12)NC(=O)c1ccc(OC)c(OC)c1 2318229 YGNIDYWVYVRZJR-ZHZULCJRSA-N 435.524 3.835 0 40 IHAB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)OCC(=O)c1ccc(OC(F)F)cc1 3287247 PHNXMDZOJAZELA-SFHVURJKSA-N 441.377 3.747 0 40 IHAB O=c1c2ccccc2nnn1CSc1nc2ccccc2c(=O)n1-c1ccccc1Cl 3520026 YPNQTVCJOPJZKS-UHFFFAOYSA-N 447.907 3.894 0 40 IHAB COc1ccccc1CC(=O)N(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(C)C 4943708 DGDVOOJCNJMEPJ-UHFFFAOYSA-N 425.485 3.742 0 40 IHAB O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NCc1cccnc1 6124726 LWSNEUVDEUDBTR-UHFFFAOYSA-N 449.454 3.612 0 40 IHAB Cc1csc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(F)cc2)n1 6577739 YQCRBRHRCFWZMX-UHFFFAOYSA-N 442.545 3.831 0 40 IHAB CCOc1ccc(OCCNCc2ccc(O[C@@H](C)C(=O)N(C)C)c(OCC)c2)cc1 7983981 LVXVJNYELOXGLS-SFHVURJKSA-N 430.545 3.508 0 40 IHAB C[C@H](Sc1nccn1-c1cccc(F)c1)C(=O)Nc1ccc(N2CCOCC2)cc1 8710258 FRZMKWUKRONYNM-INIZCTEOSA-N 426.517 3.967 0 40 IHAB COc1ccc(OC)c(-n2c(N)c(C(=O)NC3CCCC3)c3nc4ccccc4nc32)c1 8834557 HZULCBOCAIVFHX-UHFFFAOYSA-N 431.496 3.846 0 40 IHAB CCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2nc3ccc(OCC)cc3s2)n1 8868499 VBJSXRHAACJTKS-UHFFFAOYSA-N 440.934 3.574 0 40 IHAB CCOc1ccc([C@@H]2[C@@H](C(=O)OCC(C)C)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OCC(C)C)cc1 8913932 LQEIJWJNUWOURT-HXKBJWFLSA-N 448.556 3.524 0 40 IHAB CCN1CCc2c([nH]c3ccccc23)[C@@H]1c1c(O)nc(O)n(-c2ccc(C)cc2C)c1=O 9046250 PPRKKUAVUTWWDK-QFIPXVFZSA-N 430.508 3.709 0 40 IHAB biogenic CCOc1c(Cl)cc(C(=O)OCc2nc(N)nc(Nc3ccccc3)n2)cc1OC 9127269 DVEAFURJRXHGFP-UHFFFAOYSA-N 429.864 3.615 0 40 IHAB Cc1ccc(Cn2c(=O)c3c(nc4n3C[C@H](C)CN4c3ccc(C)c(C)c3)n(C)c2=O)cc1 9160214 RLSBGWVMLJYXAS-QGZVFWFLSA-N 443.551 3.658 0 40 IHAB CCOc1c(C)cc(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3C)cc1C 9165902 XHAGMOLIYVIQLO-UHFFFAOYSA-N 432.542 3.884 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1 9507153 HOCINNMBZXIEMC-FQEVSTJZSA-N 432.542 3.527 0 40 IHAB Cc1[nH]c2ccc(C(=O)O[C@@H](C)C(=O)NCC(=O)Nc3ccc(F)c(F)c3F)cc2c1C 9552323 MMAQDZORWRLFQV-LBPRGKRZSA-N 447.413 3.502 0 40 IHAB COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3ccco3)nn2[C@@H]1c1ccncc1 9602038 HOAHYVCWNCPCGZ-HXUWFJFHSA-N 428.452 3.869 0 40 IHAB O=C(CNc1ccccc1N1CCCCC1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 9637544 HAGRGRXVXYMUJY-UHFFFAOYSA-N 442.585 3.512 0 40 IHAB COc1ccc([C@H]2CCCCCN2C(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)cc1 9712500 AMQJEEQVYUKHEY-OAQYLSRUSA-N 434.533 3.599 0 40 IHAB O=C(Nc1ccc2c(c1)CCC2)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 9831813 PLQZEUAFXNIVIZ-UHFFFAOYSA-N 436.489 3.957 0 40 IHAB CCOc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccc(NC(C)=O)cc3)n2C)cc1 9833507 ZDKAALZAQLFIOW-AWEZNQCLSA-N 439.541 3.959 0 40 IHAB CCOC(=O)c1c(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)sc2c1CC[C@H](C)C2 10284468 UHAHTAJOLLXSJA-VIFPVBQESA-N 444.340 3.552 0 40 IHAB CN(c1ccc(OCC(=O)OCCOc2ccccc2)cc1)S(=O)(=O)c1cccs1 10382168 YMWJWWVPCHXRFX-UHFFFAOYSA-N 447.534 3.574 0 40 IHAB CN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)Cc4ccc(Cl)cc4)n3)cc21 11639656 MCOQWLJRWITVTH-UHFFFAOYSA-N 449.941 3.761 0 40 IHAB O=C(Cc1csc(-c2ccc(OC(F)(F)F)cc2)n1)N1CCC2(CC1)OCCO2 11865868 NOPABWMYKWZBOX-UHFFFAOYSA-N 428.432 3.617 0 40 IHAB C[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 11866946 VQJMILKSUUHGTB-QLODZENZSA-N 425.525 3.593 0 40 IHAB biogenic Cc1ccc(OCCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)cc1 12526159 BZKWCFAMYSVAJA-UHFFFAOYSA-N 440.525 3.610 0 40 IHAB Cc1ccc(-c2noc(CN3CCN(C(=O)COc4ccc(Cl)cc4C)CC3)n2)cc1 12760151 OUYDRMMORNVXGI-UHFFFAOYSA-N 440.931 3.730 0 40 IHAB COC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@H]1c1c(F)cccc1F 12775319 FJURMUWPNYVGEU-LJQANCHMSA-N 432.448 3.619 0 40 IHAB COC(=O)c1cc(NS(=O)(=O)c2c(F)cc(F)cc2Br)c(F)cc1F 13001718 UPVBYDZGVUHUES-UHFFFAOYSA-N 442.184 3.593 0 40 IHAB COc1ccc([C@@H]2CC(=O)c3cc(C(=O)Nc4cc(OC)ccc4OC)c(=O)[nH]c3C2)cc1 13363463 DZXYMXDTJBHBFH-HNNXBMFYSA-N 448.475 3.566 0 40 IHAB Cc1ccc(NC(=O)N(CCCN(C)C)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1 13511784 WPOLPZBSOZFVGA-UHFFFAOYSA-N 436.512 3.551 0 40 IHAB COc1ccc(C)cc1N(CC(=O)N1CCC[C@H](C)C1)S(=O)(=O)c1ccc(C)cc1 13670814 OXLXFPMCNQWGLV-IBGZPJMESA-N 430.570 3.766 0 40 IHAB CC[C@@H](C(=O)Nc1cccc(Br)c1)N(c1ccc(C)cc1)S(C)(=O)=O 13713089 YLGGVEQHWCLXSS-KRWDZBQOSA-N 425.348 3.941 0 40 IHAB Cc1ccc(N(CCCC(=O)Nc2ccccc2Br)S(C)(=O)=O)cc1 13847333 SRTRSBNNOWWPFL-UHFFFAOYSA-N 425.348 3.942 0 40 IHAB COc1ccccc1Oc1ccc(NC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)cc1 14245612 IXEVBFFBZWHODD-UHFFFAOYSA-N 431.448 3.520 0 40 IHAB COC(=O)c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4C)[C@@H](c4ccc(C)o4)[C@H]3C2=O)cc1 18144796 OCZMTJMEJFNJHE-BHIFYINESA-N 446.459 3.734 0 40 IHAB Cn1ncc2c1CCc1sc(NC(=O)c3sccc3S(=O)(=O)C(C)(C)C)nc1-2 19083274 YIKLIHVIAJPVEY-UHFFFAOYSA-N 436.584 3.528 0 40 IHAB CCN1CCN(C(=O)COc2ccccn2)C[C@H](Cc2ccccc2-c2cccs2)C1=O 19527735 IGZLHYNKZROJDJ-FQEVSTJZSA-N 449.576 3.739 0 40 IHAB Cc1noc(C)c1CCC(=O)N1CC[C@](Cc2cccc(-c3cccs3)c2)(C(N)=O)C1 19580560 YBZYOAPBJHKAQO-XMMPIXPASA-N 437.565 3.899 0 40 IHAB COC(=O)C1=C(C)N(c2ccccc2)C(=O)C[C@H]1C(=O)Nc1cc(Cl)ccc1OC 19819073 DZMGJMQMTGAYTQ-MRXNPFEDSA-N 428.872 3.787 0 40 IHAB O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 19857140 RZUJQKSVIHGNNF-INIZCTEOSA-N 426.460 3.886 0 40 IHAB O=C(O)c1ccc(NC(=S)NC(=O)c2cc(Br)ccc2Cl)cc1O 20152013 NZKXBCNGNMXLCX-UHFFFAOYSA-N 429.679 3.633 0 40 IHAB CCOCCCNC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccc(Cl)cc1 20448725 MOGGCJZVZKAKID-HNNXBMFYSA-N 436.961 3.636 0 40 IHAB O[C@@H](COc1ccc(-c2ccccc2)cc1)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 22791627 GMWYWPYJWLHWKB-XMMPIXPASA-N 446.547 3.640 0 40 IHAB C[C@@H]1CN(C(=O)c2ccccc2NS(=O)(=O)c2cccc(C(F)(F)F)c2)C[C@@H](C)O1 23078015 FHHOTDULSLQPJB-ZIAGYGMSSA-N 442.459 3.756 0 40 IHAB CNC(=O)NC(=O)[C@H](OC(=O)c1ccc(-c2ccc(OC(C)=O)cc2)cc1)c1ccccc1 23939891 BYQROUKGMUSWPT-JOCHJYFZSA-N 446.459 3.633 0 40 IHAB COc1ccc(C(=O)OCC(=O)Nc2ccc(Br)cc2Cl)c(OC)c1 29275143 ADMQTRDZFFIPCF-UHFFFAOYSA-N 428.666 3.915 0 40 IHAB COc1cc(OC)c([C@@H]2CC(O)=Nc3c2c(C)nn3-c2ccc(Cl)nn2)cc1OC 32096954 WKIBCGGWIFTWKE-LBPRGKRZSA-N 429.864 3.774 0 40 IHAB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1cccc(Cn2ccnc2)c1 32932154 BCNNASFCNRBUJQ-UHFFFAOYSA-N 441.329 3.713 0 40 IHAB CCOc1ccc(-c2nc(Cn3nnc(C(=O)Nc4ccc(F)cc4)c3N)c(C)o2)cc1 33291725 KFJUTPABDVNNMC-UHFFFAOYSA-N 436.447 3.662 0 40 IHAB CCn1c(SCC(=O)NC2CCCC2)nnc1[C@@H](NC(=O)c1ccc(C)cc1)C(C)C 33778995 RDRLWLXQUYGFGL-FQEVSTJZSA-N 443.617 3.884 0 40 IHAB CCOC(=O)c1cc(CC)sc1NC(=O)CCc1c(C)nc2nc(SC)nn2c1C 36392982 FLLVNYALLLDWRP-UHFFFAOYSA-N 447.586 3.835 0 40 IHAB CCc1cccc2c(/C=C3/C(=O)N(C)C(=S)N3CC(=O)OC)cn(Cc3ccccc3)c12 39556282 ALNVQPFONGOXDR-BKUYFWCQSA-N 447.560 3.825 0 40 IHAB CC1CCN([C@H](CNC(=O)CSc2nncn2-c2cccc(Cl)c2)C(C)C)CC1 40107985 CFRWTKXCSBKMJA-LJQANCHMSA-N 436.025 3.886 0 40 IHAB O=C(Nc1ccc(N2CCCN(C(=O)C3CC3)CC2)cc1)c1cc(-c2ccc(F)cc2)n[nH]1 42382818 BUKWLWUYGKSOBK-UHFFFAOYSA-N 447.514 3.917 0 40 IHAB CCOc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)NCc2cccs2)cc1 48991228 GJCLOULGDDUETK-UHFFFAOYSA-N 436.580 3.963 0 40 IHAB CN1CCN(c2ccc(-c3noc([C@@H]4CCCN4CCCc4ccccc4)n3)cn2)CC1 49155119 KZWLLKLUNUUFAO-QFIPXVFZSA-N 432.572 3.653 0 40 IHAB biogenic,in-vitro CCCOC(=O)c1ccc(Oc2coc3c4c(ccc3c2=O)OCN(CCOC)C4)cc1 57160250 QOGXCSFVGARRHR-UHFFFAOYSA-N 439.464 3.950 0 40 IHAB O=C(Cn1nc2nnc(-c3cccs3)c(-c3cccs3)n2c1=O)OC1CCCCC1 57742650 BADXUIBZMYPUIJ-UHFFFAOYSA-N 441.538 3.619 0 40 IHAB COc1ccc(S(=O)(=O)N2c3ccccc3CC[C@@H]2C(=O)Nc2ccccc2F)cc1 58264047 TWPFYBDNMWEPGK-JOCHJYFZSA-N 440.496 3.983 0 40 IHAB Cc1cc([C@@]2(C)NC(=O)N(CC(=O)N3CC[C@@H](C)Sc4ccccc43)C2=O)c(C)o1 58292448 UJBNAOANEDSKFI-JLCFBVMHSA-N 427.526 3.581 0 40 IHAB O=C(NCc1ccc(F)c(Cl)c1)c1cn(-c2cc(-c3nc(C4CC4)no3)ccn2)cn1 71768431 NZGNKGONWCMWFG-UHFFFAOYSA-N 438.850 3.917 0 40 IHAB Cc1cc(-c2cnc(N3CCC[C@@H](C)C3)nc2C2CCN(C(=O)C(F)(F)F)CC2)on1 72335875 IACZWZGWQHLMAX-CYBMUJFWSA-N 437.466 3.945 0 40 IHAB CCc1cc(N2CCOCC2)nc(C2=CCN(C[C@H](O)c3ccc4ccccc4c3)CC2)n1 72339550 DTQVKVXGIZPSIC-VWLOTQADSA-N 444.579 3.852 0 40 IHAB Cc1cc(S(=O)(=O)N2CCC[C@H](c3cccc(Nc4ncccn4)n3)C2)ccc1F 72376085 RZPUSXJOMFIHFG-INIZCTEOSA-N 427.505 3.631 0 40 IHAB Cc1ccc(-c2cc(C[C@]3(C(=O)N(C)C)CCCN(C(=O)c4ccccn4)C3)on2)cc1 72396008 OJHUXEMVJUGCRV-RUZDIDTESA-N 432.524 3.598 0 40 IHAB CCCCCOc1ccc([C@H](C)NC(=O)C(=O)Nc2c(C)nn(CC)c2C)cc1OC 89953475 HRULBYHZIKBLHD-HNNXBMFYSA-N 430.549 3.913 0 40 IHAB COc1ccc(CCNC(=O)N2CCC(Oc3ncccc3Br)CC2)cc1 96097001 VQXNUFKULBPHTN-UHFFFAOYSA-N 434.334 3.648 0 40 IHAB O=C1[C@H]2[C@H](C(=O)N1c1ccc(Br)cc1)N1CCCN1[C@H]2c1ccc(Cl)cc1 102684721 ZTLSBLCLYFIIBS-FGTMMUONSA-N 446.732 3.638 0 40 IHAB CC(C)Oc1cccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c1 219752906 YQQYGTLTTKNMJM-FQEVSTJZSA-N 436.961 3.597 0 40 IHAB COc1ccc(CN(C(=O)COc2ccccc2)[C@@H](C)C(=O)NCc2ccccc2)cc1 223000196 LXHCKDGLSVRMDR-FQEVSTJZSA-N 432.520 3.808 0 40 IHAB CCOC(=O)c1c(NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)sc2c1CCCC2 223869850 XMOSXIHCLNFHRC-UHFFFAOYSA-N 448.566 3.513 0 40 IHAB CCN(c1ccc(C(=O)NCCCN2CCCCC2)cc1)S(=O)(=O)c1ccccc1 224362383 QOYKYHVFLJIRSE-UHFFFAOYSA-N 429.586 3.508 0 40 IHAB CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCc1ccc(OC)c(OC)c1 224697626 WQKOLWVMGIBHOR-IBGZPJMESA-N 426.557 3.888 0 40 IHAB Cc1cc(C)cc(N([C@@H](C)C(=O)NCc2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1 224794618 OOSPHMOQDHEXIO-HNNXBMFYSA-N 428.476 3.793 0 40 IHAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccco2)ccc1NS(C)(=O)=O 225444190 CCYNQOVZKKRCPP-MOPGFXCFSA-N 428.539 3.532 0 40 IHAB Cn1nc([C@@H]2CN(CCc3ccccc3)CCO2)cc1CCOc1ccc(F)c(F)c1 257328011 XDTPDNURFLUMMT-DEOSSOPVSA-N 427.495 3.936 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3c4ccccc4C[C@H]3C)C2)cc1Cl 260743119 NUGDSUAJDPJWHJ-WBVHZDCISA-N 448.972 3.727 0 40 IHAB Cc1ccc2c(c1)[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c3ccccc3)C1)CC(C)(C)O2 260910387 YFSCTPJSOCUABJ-RXVVDRJESA-N 442.581 3.814 0 40 IHAB COc1cccc(CN2C[C@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccsc2)C3=O)c1 306123585 AQXFDUSELITRMN-NOZRDPDXSA-N 449.576 3.549 0 40 IHAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cc(Cl)ccc2OC)cc1Cl 408608549 RIFNJWCMGNGFPH-LLVKDONJSA-N 447.340 3.706 0 40 IHAB CC(=O)Nc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2cccc(Cl)c2)cc1 408670238 YWTBDIQAXDSGEY-UHFFFAOYSA-N 431.876 3.589 0 40 IHAB O=C(NCCc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 408709912 IIYOMGZLXJWLLU-UHFFFAOYSA-N 449.938 3.610 0 40 IHAB O=C1NC2(CCN(C(=O)Nc3cccc(Cl)c3)CC2)[C@H]2CN(Cc3ccccc3)C[C@@H]12 585106296 PBEFIKVVXAFKBG-RTWAWAEBSA-N 438.959 3.585 0 40 IHAB CC(=O)NC[C@H]1C[C@]2(C)[C@@H](CCCC[C@]2(C)O)N1C[C@]1(O)CC[C@@H](c2ccccc2)CC1 585283484 ORUBVUJPGCAXRN-QJCWEMJFSA-N 442.644 3.986 0 40 IHAB COc1ccccc1[C@@H]1[C@@H](C(=O)NCC2CCOCC2)SCC(=O)N1C1CCCCC1 952964470 CCUPFVVBLVYYAI-PKTZIBPZSA-N 446.613 3.556 0 40 IHAB O=C(N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)c1csc(NC2CC2)n1 1626934475 IFHYQSDPALIEBC-ZDUSSCGKSA-N 425.341 3.950 0 40 IHAB CSc1ccc(NC(=O)N2CCn3c(nnc3C(F)(F)F)C2)cc1Br 1679328964 ZQJSKCZOVPRODE-UHFFFAOYSA-N 436.257 3.829 0 40 IHAB COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](O)c1ccc(-c2cccs2)cc1 1775977684 JXEFOVWWBCDFIL-KRWDZBQOSA-N 430.913 3.865 0 40 IHAB COC(=O)c1cccc(NC(=O)CSc2nnc(COc3c(C)cccc3C)n2C)c1 682076 FNMUUHKBIAEURL-UHFFFAOYSA-N 440.525 3.528 0 40 IHAB COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)NC[C@H]3CCCO3)n2)cc1 890696 RBHFXZBTVWVOTL-CQSZACIVSA-N 427.448 3.558 0 40 IHAB C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CCN(c5cccc(Cl)c5)CC4)[C@H]3[C@H](O)[C@@]21C 2119413 HXHILYRRLVJUGI-AVWDQLLDSA-N 445.003 3.747 0 40 IHAB biogenic CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1nc(COc2ccc(C)cc2)n[nH]1 2620170 MOZYYRDQIDQUBZ-UHFFFAOYSA-N 428.514 3.789 0 40 IHAB Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)N2CCc3ccccc3C2)cc1 8992099 MGXVXQPVGMNKQC-RUZDIDTESA-N 446.572 3.696 0 40 IHAB COc1ccc([C@H]2CCCCCN2C(=O)/C=C/c2ccc(OCC(N)=O)c(OC)c2)cc1 9156487 ZTGXIMVTTYYSQS-CQAIOUEZSA-N 438.524 3.725 0 40 IHAB CCOc1ccc(-c2ccc3nnc(SCC(=O)Nc4nc(C)cs4)n3n2)cc1 9240942 VCGGAGOTYVMCPT-UHFFFAOYSA-N 426.527 3.686 0 40 IHAB CCOC(=O)c1nn(-c2ccccc2)c(=O)c2c(NC(=O)Cc3cccs3)scc12 9381366 PWXVGEMIXQUYOO-UHFFFAOYSA-N 439.518 3.867 0 40 IHAB COc1ccccc1NC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1 9414842 FYNLFFRRHSCAMA-UHFFFAOYSA-N 427.486 3.547 0 40 IHAB CCOc1ccccc1NC(=O)CSc1ccc2nnc(-c3ccc(OC)cc3)n2n1 9415159 DWKQDFPLIXVPGB-UHFFFAOYSA-N 435.509 3.929 0 40 IHAB COc1ccc(-n2c(SCC(=O)Nc3sccc3C(N)=O)nc3ccccc32)cc1 9441505 QAAIMUUFQQVZPD-UHFFFAOYSA-N 438.534 3.925 0 40 IHAB Cc1ccc2nc3c(cc(C(=O)NCCc4ccccc4)n3Cc3ccccc3)c(=O)n2c1 9446640 GIAXNPFUVOZIGF-UHFFFAOYSA-N 436.515 3.978 0 40 IHAB COc1ccc(Sc2cnc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)s2)cc1 9592124 AEKURBQHGMCLFJ-UHFFFAOYSA-N 449.579 3.806 0 40 IHAB CN1CCN(c2ccc(Cl)cc2NC(=O)COc2ccc(Br)cc2)CC1 9703918 QPJCKTSYOVMLOI-UHFFFAOYSA-N 438.753 3.872 0 40 IHAB Cn1c(COc2ccccc2Cl)nnc1SCC(=O)N1CCc2sccc2C1 9758897 ZYJUXPYCCIJFED-UHFFFAOYSA-N 434.974 3.786 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(F)c(Cl)c3)C2)cc1C 9974531 HSCCCXHYUIMLAE-CQSZACIVSA-N 440.924 3.836 0 40 IHAB C[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)c1ccc2c(c1)C(=O)N(C)C2=O)OCCO3 10257508 PPTZCAWPBZVQAK-HNNXBMFYSA-N 446.503 3.712 0 40 IHAB COc1ccc(N2C[C@@H](NC(=O)Nc3nc4ccc(C)cc4s3)CC2=O)cc1OC 10585848 HYQLVLCBUGQZKH-ZDUSSCGKSA-N 426.498 3.549 0 40 IHAB CCOc1cc(C(=O)OCC(=O)Nc2ccc(OC)c(OC)c2)cc(OCC)c1OCC 10751258 AZAQFHAKWQXTSE-UHFFFAOYSA-N 447.484 3.695 0 40 IHAB CC(C)c1nc2oc3c(=O)n(CC(=O)N4CCCCC4)cnc3c2c2c1COC(C)(C)C2 12324418 OMPIWQSKCVIBOP-UHFFFAOYSA-N 438.528 3.525 0 40 IHAB Cn1cccc1C(=O)NC(=O)COC(=O)c1c2c(nc3ccccc13)CC[C@H](C(C)(C)C)C2 12540537 AIBPCBBAHKTDCA-INIZCTEOSA-N 447.535 3.838 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN[C@@H](C)c1cccc2ccccc12 12986766 GYYGSIPXACFLGY-KRWDZBQOSA-N 425.554 3.688 0 40 IHAB Cc1ccc(C(=O)Nc2cnc3c(cnn3C(C)C)c2)cc1S(=O)(=O)N1CCCCC1 13000893 UHASFIJVKKFZRX-UHFFFAOYSA-N 441.557 3.748 0 40 IHAB COc1cc(OC)c(N2C[C@@H](C(=O)N[C@H](C)c3ccc(F)c(F)c3)CC2=O)cc1Cl 13109506 NDWLVKBUCGFKSD-YPMHNXCESA-N 438.858 3.866 0 40 IHAB O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)N[C@H]1CCN(Cc2ccccc2)C1 13163385 DADTVRZXXOCOJZ-QFIPXVFZSA-N 429.520 3.599 0 40 IHAB CCn1c(=O)c2sccc2n(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1=O 13533169 MOUKABHYGRZELL-UHFFFAOYSA-N 431.823 3.556 0 40 IHAB CSc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3Cl)CC2)cc1 13568379 KTNPFURFFSKQDP-UHFFFAOYSA-N 439.002 3.779 0 40 IHAB O=C(O)Cn1c(=O)c2c3c(sc2n(Cc2ccc(Cl)cc2Cl)c1=O)CCCC3 13610002 ACQMQUVREUWIBZ-UHFFFAOYSA-N 439.320 3.543 0 40 IHAB CCOc1cccc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3O2)c1 13612903 SGXZQCFTMDMSHF-JOCHJYFZSA-N 438.505 3.680 0 40 IHAB CC[C@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)OC1(CCCCC1)CC3)C(=O)O 13629247 WGPMCSNYNDGCAT-SFHVURJKSA-N 427.497 3.651 0 40 IHAB CC[C@@H](C(=O)Nc1ccccc1C(=O)NC(C)(C)C)N(c1ccc(F)cc1)S(C)(=O)=O 13686509 YYQRWVPWSUXDOJ-IBGZPJMESA-N 449.548 3.537 0 40 IHAB O=C(COc1ccccc1Cl)N(Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 13749626 FCVVMBKIRWDZIR-INIZCTEOSA-N 428.337 3.588 0 40 IHAB CCn1c(SCC(=O)Nc2cc(OC)cc(OC)c2)nnc1-c1ccc(OC)cc1 13805256 URUIGIXOUDHLDS-UHFFFAOYSA-N 428.514 3.722 0 40 IHAB Cc1ccc(C)c(N(CCCC(=O)Nc2ccccc2C(=O)NC(C)C)S(C)(=O)=O)c1 14399572 FSAUSIPYIHNWDR-UHFFFAOYSA-N 445.585 3.627 0 40 IHAB Cc1ccc(NC(=O)C[C@@H]2OC(=O)c3ccccc32)cc1S(=O)(=O)N1CCCCCC1 15312837 VQQHRGSYXFBYJV-FQEVSTJZSA-N 442.537 3.800 0 40 IHAB O=C(C[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2 15390983 JXIATHUUSUFBBY-MRXNPFEDSA-N 436.917 3.641 0 40 IHAB CCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N[C@H](Cc3ccccc3)C(=O)O)ccc12 16043117 LRKOUHQRTLNNGO-OXQOHEQNSA-N 437.492 3.633 0 40 IHAB biogenic CCOc1ccc(NC(=O)CSc2nnc3n2CCN3c2ccc(OC)cc2)cc1 17307901 ZBXVYDJHWZZLNS-UHFFFAOYSA-N 425.514 3.568 0 40 IHAB Cc1ccccc1-n1nc(C)c(CN(CCCN2CCOCC2)Cc2cccnc2)c1C 19237578 QIQLDKBEHQQTHU-UHFFFAOYSA-N 433.600 3.917 0 40 IHAB Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@@H]2CCCN(C(=O)CCc3ccccc3)C2)n1 19290136 QJZCWMBZGDPNLU-OAQYLSRUSA-N 444.583 3.816 0 40 IHAB CC(C)NC(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)[C@H]2CCCO2)C1 19449179 PXQROFUBNLVRQE-ZJSXRUAMSA-N 426.582 3.880 0 40 IHAB CCc1nccn1CCC(=O)N1CCC(c2cc(C(F)(F)F)n3nc(C)cc3n2)CC1 19523627 JYECHDYOYOSATE-UHFFFAOYSA-N 434.466 3.612 0 40 IHAB CN(CC(=O)Nc1cccc(F)c1)CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 19533327 RDMADFCYIREMOC-UHFFFAOYSA-N 437.519 3.818 0 40 IHAB COc1ccc2c(c1)OC1(CCN(C[C@@H](O)c3c(C)n(C)c4ccccc34)CC1)C[C@@H]2O 19581800 VGIPPHQKHBQJPV-XZOQPEGZSA-N 436.552 3.879 0 40 IHAB NC(=O)c1[nH]c(C2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)nc1-c1ccccc1 19698874 NAEULRKGJVEBTD-UHFFFAOYSA-N 427.508 3.606 0 40 IHAB CN(C)C(=O)c1sc2ncccc2c1[C@H]1CCN(S(=O)(=O)c2ccccc2Cl)C1 19702493 HFYPZODKEHSHNF-ZDUSSCGKSA-N 449.985 3.830 0 40 IHAB NC(=O)[C@@]1(Cc2cc(-c3ccc(F)cc3)no2)CCN(C(=O)c2cccc3ncccc23)C1 19703553 OPSBKYPEFNPYLG-RUZDIDTESA-N 444.466 3.589 0 40 IHAB CCn1ccc(C(=O)N2CC[C@@H](c3cc(C(=O)Nc4nccs4)c4ccccc4n3)C2)n1 19761673 ZMNFDMLHTDWEFW-OAHLLOKOSA-N 446.536 3.790 0 40 IHAB CCN(CC)CC(=O)N1CCCC[C@H]1c1ncc(C(=O)Nc2ccc(F)cc2)c(C)n1 19764893 CWILYYALEICDGM-FQEVSTJZSA-N 427.524 3.572 0 40 IHAB COc1cccc(CNC(=O)c2cnc([C@H]3CCCCN3Cc3cccnc3)nc2C)c1 19766264 ICCISJCUNUIBMP-HSZRJFAPSA-N 431.540 3.846 0 40 IHAB O=C(CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O)NCCSCc1ccco1 19869044 DDCMLAYZONTTDI-UHFFFAOYSA-N 446.525 3.644 0 40 IHAB Cc1cc(C)cc(N2C(=O)N(Cc3cccc(C(F)(F)F)c3)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 20581583 RPAQFZZWAXYVRF-MOPGFXCFSA-N 438.471 3.930 0 40 IHAB O=C(NCCc1ccccc1)c1ccc2c(O)nc3c(-c4cccc(F)c4)nnn3c2c1 21867454 RAIDSSZJEWDSJJ-UHFFFAOYSA-N 427.439 3.762 0 40 IHAB COc1ccc(NC(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)cc1 23233093 UAXPDMCXUHACHQ-UHFFFAOYSA-N 444.340 3.540 0 40 IHAB C[C@@H](CCc1ccccc1)NC(=O)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 24609757 KICHJXHKAGVZJX-SFHVURJKSA-N 432.561 3.505 0 40 IHAB COc1ccc(CN(CCCN2CCOCC2)C(=O)c2cc3sccc3n2C)cc1 26416860 CRXUAUWFZVYDNT-UHFFFAOYSA-N 427.570 3.613 0 40 IHAB Cc1ccc(S(=O)(=O)NCCNC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 29328528 FGABVLWJAOWSSS-ZDUSSCGKSA-N 430.357 3.641 0 40 IHAB C[C@@H]1CCCN(C(=O)c2ccc(N3CCCCC3)c(S(=O)(=O)N3CCCCC3)c2)C1 29509833 XJMIWPQWQLNQIK-LJQANCHMSA-N 433.618 3.724 0 40 IHAB CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)CC1 29981563 XMENYXMNBQRFNF-UHFFFAOYSA-N 435.322 3.532 0 40 IHAB Cc1cccc(Cn2nccc2NC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)c1 30527903 VXVOKGQKKYCNBF-UHFFFAOYSA-N 427.508 3.928 0 40 IHAB COc1ccc(CNC(=O)CSc2nncc3c2[nH]c2ccc(F)cc23)cc1OC 32752904 MEYZOXPSTXANGH-UHFFFAOYSA-N 426.473 3.676 0 40 IHAB Cc1cccc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3Cl)n2C)c1C 33490030 CFHQJNBMKGRCPU-UHFFFAOYSA-N 443.960 3.746 0 40 IHAB CCCN1CCCc2cc(CCNS(=O)(=O)c3ccc(NC(C)=O)cc3C)ccc21 35588168 VTZSYXVVWCOVMW-UHFFFAOYSA-N 429.586 3.637 0 40 IHAB COc1cc(C(=O)N2CCC(c3nnc(-c4ccc(F)cc4)o3)CC2)cc(OC)c1OC 35597665 KJPDCFKDBAUPNI-UHFFFAOYSA-N 441.459 3.921 0 40 IHAB CN(C[C@H]1COc2ccccc2O1)C(=O)CN1CCC[C@H](c2nc3ccccc3s2)C1 37181193 DOZBKLMEJWOGOJ-ROUUACIJSA-N 437.565 3.774 0 40 IHAB Cc1nc(N2CCCCC2)ncc1-c1cc(=O)[nH]c(Nc2nc(C)c3ccccc3n2)n1 39403995 ZDFUFHJTORDUGN-UHFFFAOYSA-N 428.500 3.521 0 40 IHAB CCc1cc(=O)[nH]c(-c2cccc(NC(=O)Cn3c(-c4cccc(C)c4)n[nH]c3=S)c2)n1 40151987 CXVYWQWTNOEWIR-UHFFFAOYSA-N 446.536 3.868 0 40 IHAB O=C(NCc1ccnc(-n2ccnc2)c1)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 40156108 CIONLXCIWPKFSK-UHFFFAOYSA-N 445.483 3.646 0 40 IHAB O=C(Nc1ccccc1Cn1cncn1)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 40156982 LUXWKZNCXBWCOU-UHFFFAOYSA-N 429.480 3.507 0 40 IHAB Cc1cc(C)cc(OCC(=O)Nc2cc(-c3ccccc3)nn2[C@H]2CCS(=O)(=O)C2)c1 41156985 REYKZMAIGIRVBK-IBGZPJMESA-N 439.537 3.544 0 40 IHAB CC(C)c1ccc(-c2ccc(=O)n(CCC(=O)N3CCN(c4ccccc4)CC3)n2)cc1 41253369 JEHWFWFQVWMBPT-UHFFFAOYSA-N 430.552 3.773 0 40 IHAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 44900106 KKVFBPPRGXZJRO-LJQANCHMSA-N 440.525 3.690 0 40 IHAB CCN(CC)[C@H](CNC(=O)Nc1cc2c(cc1Cl)NC(=O)CO2)Cc1ccccc1 48366858 QRPQBWBZNWCKPW-INIZCTEOSA-N 430.936 3.746 0 40 IHAB Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cccc(Cl)c3)nc2N)cc1 57510491 BMDIZAOFSSOPRC-UHFFFAOYSA-N 448.957 3.584 0 40 IHAB COC(=O)[C@@H](C)Sc1ccccc1C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 58099378 SOYSQFJFARUSNR-RDTXWAMCSA-N 428.510 3.710 0 40 IHAB CC(=O)c1cccc(NC(=O)Cn2cnc3c(-c4ccc(Cl)cc4)cn(C)c3c2=O)c1 67235802 UINHEOLONVZKLN-UHFFFAOYSA-N 434.883 3.897 0 40 IHAB CC(=O)c1ccc(NC(=O)Cn2cc(-c3nc(-c4cccc(C)c4)no3)ccc2=O)cc1 67289594 LFNLCBWAHKOWGD-UHFFFAOYSA-N 428.448 3.715 0 40 IHAB Cc1cccc(C)c1NC(=O)Cn1c(-c2ccc(Cl)cc2)nc(C)c(CCO)c1=O 67300558 QNSXRRBTKHFKFF-UHFFFAOYSA-N 425.916 3.662 0 40 IHAB O=C(Cn1cc(OCc2cccc(Cl)c2)c(=O)cc1CO)Nc1ccc2cc[nH]c2c1 71284330 DHVPEEFDFJHLBW-UHFFFAOYSA-N 437.883 3.693 0 40 IHAB COc1ccc(NC(=O)Cn2nnc(C(=O)Nc3cccc(C)c3C)c2C)cc1Cl 71327241 QTMGXKOOSNEYDS-UHFFFAOYSA-N 427.892 3.756 0 40 IHAB O=C(NCc1ccc(Cn2ccnc2)cc1)c1nccnc1C(=O)Nc1ccc(Cl)cc1 72301610 IKUMFAQORVGJNC-UHFFFAOYSA-N 446.898 3.557 0 40 IHAB O[C@]1(c2cccnc2)CCCN(c2ncc(-c3cnccn3)c(-c3cccs3)n2)CC1 72338732 BWNMKQHRBWRWPF-HSZRJFAPSA-N 430.537 3.935 0 40 IHAB Cc1cc(Cc2ccccc2Cl)cc([C@@H]2CCCN(C(=O)c3ccc(=O)n(C)n3)C2)n1 72354132 ABMOQNGVEDWGNS-LJQANCHMSA-N 436.943 3.748 0 40 IHAB CCc1nc(C)c([C@H](C)N(C)C(=O)NCc2nnc3ccc(C(F)(F)F)cn23)s1 83830236 YIKVXTFETBJIKU-NSHDSACASA-N 426.468 3.978 0 40 IHAB COc1ccc(-c2noc(CN(C)C(=O)c3ccccc3I)n2)cc1 95482578 INELEVKGKMJTMB-UHFFFAOYSA-N 449.248 3.622 0 40 IHAB CC1(C)C[C@H](n2nc(O)c3c2NC(=O)CS[C@@H]3c2ccc(F)c(F)c2F)CCO1 96118400 CFSIYHGGBLPFTN-JDNHERCYSA-N 427.448 3.911 0 40 IHAB COC(=O)Cn1/c(=N/C(=O)c2cc(Cl)sc2Cl)sc2cc(OC)ccc21 100877063 ZLURVVQDBIKIJO-MNDPQUGUSA-N 431.322 3.994 0 40 IHAB O=C(C1CC1)N1CC[C@H](Cc2n[nH]c(=O)n2-c2ccc(-c3ccc4occc4c3)cc2)C1 118714272 AQTPWCUIYUOEMG-MRXNPFEDSA-N 428.492 3.775 0 40 IHAB CC[C@@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)c1ccc(OC)cc1 219758121 ZNKJOLNYXPAXEF-WOJBJXKFSA-N 436.961 3.769 0 40 IHAB CCOc1ccc(CCCNC(=O)[C@@H](CC)N(c2cccc(C)c2)S(C)(=O)=O)cc1 220524041 SOJWHNJLDDSZGT-JOCHJYFZSA-N 432.586 3.687 0 40 IHAB CC[C@@H](C(=O)Nc1ccccc1C(=O)OC)N(c1cc(Cl)ccc1C)S(C)(=O)=O 220709878 NAODBDMAVRRXOZ-KRWDZBQOSA-N 438.933 3.618 0 40 IHAB NC(=O)COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 223299196 ZJPRIENGYADEOW-UHFFFAOYSA-N 432.885 3.797 0 40 IHAB CN(c1ccccc1)S(=O)(=O)c1ccc(SCC(=O)NCCc2ccccc2)cc1 223394442 ALIJQERHKKMBOR-UHFFFAOYSA-N 440.590 3.963 0 40 IHAB COc1ccc(OC)c(S(=O)(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)c1 223709771 GVYSYCLLQFRWJW-UHFFFAOYSA-N 431.485 3.900 0 40 IHAB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(O)cc1 223732571 XXFCQYAMTNUUDR-YADHBBJMSA-N 436.537 3.504 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(OC3CCCC3)cc2)cc1C(=O)NC(C)C 223786613 HBZWPGXAWLZVDS-UHFFFAOYSA-N 432.542 3.956 0 40 IHAB CSc1ccc(S(=O)(=O)NCc2cccc(OC(C)C)c2)cc1C(=O)N1CCCC1 223854227 QLWYGHBVTMPDHJ-UHFFFAOYSA-N 448.610 3.910 0 40 IHAB Cc1cc(C)cc(OCCNC(=O)CCCN(c2cccc(C)c2C)S(C)(=O)=O)c1 224104124 TUESVUIITOWQEV-UHFFFAOYSA-N 432.586 3.662 0 40 IHAB COc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1COc1ccccc1Cl 224136525 WEWYVTBTMSGOTN-UHFFFAOYSA-N 446.912 3.827 0 40 IHAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCC3CCCCC3)Oc3cc(C)ccc32)cc1 224508950 UVYPNCBTHZPORV-QHCPKHFHSA-N 442.581 3.956 0 40 IHAB CCOc1cccc(N(CC(=O)O)S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)c1 224629274 HBDJJWSQQCQSNO-UHFFFAOYSA-N 434.297 3.681 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)NCCSC2CCCC2)c2ccccc2)cc1 225365224 ZSLPNHQRLUPITE-UHFFFAOYSA-N 448.610 3.683 0 40 IHAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1OC 225750145 ISKDNLKOQYVTRG-NQIIRXRSSA-N 442.556 3.805 0 40 IHAB CCC1(CC)C[C@@H](NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)c2ccccc2O1 225788746 DOCMPCINMZSAKZ-HXUWFJFHSA-N 430.570 3.960 0 40 IHAB CCOc1ccc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc1I 409020809 UCLGIEXQDNLQNH-RVDMUPIBSA-N 434.233 3.787 0 40 IHAB CCOc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@@H]3C)C2=O)c(OCC)c1 409200511 HUNYKLKUUFMAGM-CCRNYGKSSA-N 432.542 3.921 0 40 IHAB CN(Cc1cc2ccccc2[nH]1)C(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 1252699520 CHSUJPJKELTZRB-OAHLLOKOSA-N 426.314 3.942 0 40 IHAB Cc1nc2ccccc2n1[C@H]1C[C@H]2CN(C(=O)NC3CCC3)C[C@H]2C[C@@H]1Oc1cnccn1 2332242591 BNRAGNJWTAQUMS-WKZKVMAPSA-N 446.555 3.727 0 40 IHAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(Br)cc3)n2C)cc1 649917 HOBOSHWCCVMDMU-UHFFFAOYSA-N 433.331 3.984 0 40 IHAB COc1ccc(Br)cc1C(=O)Nc1ccc2c(c1)C(=O)N(CC(C)C)C2=O 692962 SMSMBFXMOYXTLH-UHFFFAOYSA-N 431.286 3.962 0 40 IHAB COc1ccc(Cl)cc1NC(=O)C1=C(C)NC(=S)N[C@H]1c1cccc(OC)c1OC 867219 OZEJKVVZLODOJF-SFHVURJKSA-N 447.944 3.797 0 40 IHAB COc1cccc(C(=O)N(Cc2cccnc2)Cc2cc3cc(C)ccc3n3nnnc23)c1 1367169 QRWUVYXPMMKCLU-UHFFFAOYSA-N 438.491 3.832 0 40 IHAB CCOc1cc([C@H]2NC(=S)N(C)C(C)=C2C(=O)OC)ccc1OC(=O)c1ccccc1 1467269 IJHCNRSFGPOSKC-HXUWFJFHSA-N 440.521 3.613 0 40 IHAB CS(=O)(=O)N(Cc1ccccc1)C[C@@H](O)COC(c1ccccc1)c1ccccc1 3264743 BIOSXMWOIXOYBZ-HSZRJFAPSA-N 425.550 3.615 0 40 IHAB CC(C)(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)NCCc3ccc(Cl)cc3)C2=O)cc1 3363302 AQMONXZFISFTCL-DEOSSOPVSA-N 441.959 3.763 0 40 IHAB CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)CC)N3CCC(C)CC3)cc2c1 6149490 XCAVRGRPYAWQSC-NRFANRHFSA-N 438.576 3.880 0 40 IHAB COc1ccc2[nH]c(=O)c(CN(Cc3ccco3)S(=O)(=O)c3ccc(C)cc3)cc2c1 6407132 HIMALXBCKVGCCI-UHFFFAOYSA-N 438.505 3.829 0 40 IHAB C[C@@H](OC(=O)Cn1c(C(F)(F)F)nc2ccccc21)C(=O)N1CCCc2ccccc21 8670801 FFLKDOQOGAUMHW-CQSZACIVSA-N 431.414 3.966 0 40 IHAB CCN(Cc1cccs1)C(=O)/C=C/c1ccc(S(=O)(=O)NCc2ccco2)cc1 8882516 YNMJZADAZMNLEZ-FMIVXFBMSA-N 430.551 3.882 0 40 IHAB CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)c(S(=O)(=O)N(CC)CC)c2)cc1 9120645 WRMSJWMRSMNBDI-UHFFFAOYSA-N 446.978 3.570 0 40 IHAB Cc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccccc3)c(N)n2)c(Cl)c1 9152063 OHYPDNQCBHUEGL-UHFFFAOYSA-N 448.957 3.584 0 40 IHAB O=C(OCc1nnc(-c2cccs2)o1)c1nn(Cc2ccccc2)c(=O)c2ccccc12 9254855 HYNMKYSWJFXYPR-UHFFFAOYSA-N 444.472 3.913 0 40 IHAB CSc1ccc([C@H]2N=C(NCCc3c[nH]c4ccccc34)Nc3nc(C)cc(=O)n32)cc1 9287553 HRTPXMGLCXCYKP-QFIPXVFZSA-N 444.564 3.916 0 40 IHAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 9337785 ITJYQERRHXOGAB-OAQYLSRUSA-N 436.943 3.592 0 40 IHAB COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN(C)C)[C@H]3c1cccc(Cl)c1 9348659 GEZFZWRRYYDGDJ-FQEVSTJZSA-N 426.900 3.952 0 40 IHAB CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2Oc2ccccc2)cc1 9440885 KWUUVXJNJYBTKM-UHFFFAOYSA-N 438.505 3.941 0 40 IHAB COc1ccc(N(CC(=O)NCC2CCCCC2)S(=O)(=O)c2ccccc2F)cc1 9514299 KHUVWQXBJLHBOC-UHFFFAOYSA-N 434.533 3.726 0 40 IHAB Cc1cccc(NC(=O)C(=O)NCCc2csc3nc(-c4ccc(Cl)cc4)nn23)c1 9569042 UXCZNDVEQYAIBS-UHFFFAOYSA-N 439.928 3.717 0 40 IHAB COc1ccc(CC(=O)N[C@H](C)c2nnc(SCC(=O)c3ccc(C)cc3)n2C)cc1 9582733 OAIKHDLHTAUPGH-MRXNPFEDSA-N 438.553 3.527 0 40 IHAB CCn1c(CC(=O)Nc2cccc(C)c2)nnc1S[C@@H](C)C(=O)NC1CCCCC1 9616674 JAQCEEHSULFIJO-INIZCTEOSA-N 429.590 3.717 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C)Sc2nc(C)cs2)ccc1C 9631166 BTMUYCTVPOUKOJ-CQSZACIVSA-N 427.617 3.910 0 40 IHAB O=C(CSc1nnnn1C1CCCC1)Nc1nc2ccc(Br)cc2s1 9638077 UYOYRJSZHRNLCA-UHFFFAOYSA-N 439.364 3.891 0 40 IHAB Cc1nc2nc(N)nn2c(C)c1CCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 9687990 DZSJMQLDGRWAOC-UHFFFAOYSA-N 427.921 3.672 0 40 IHAB COc1ccc(OC)c(NC(=O)CSc2nnc(-c3cccs3)n2-n2cccc2)c1 9707844 ASTGOFBVSDZOIT-UHFFFAOYSA-N 441.538 3.868 0 40 IHAB COc1ccc(CNC(=O)c2ccc(CN(c3cccc(C)c3)S(C)(=O)=O)cc2)cc1 10327937 NKDVNFJSPWSWOI-UHFFFAOYSA-N 438.549 3.900 0 40 IHAB COc1cc2ncn(CCCC(=O)Nc3nc(C(C)(C)C)cs3)c(=O)c2cc1OC 10445387 LGTYAFRNPCFSHD-UHFFFAOYSA-N 430.530 3.587 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(C(=O)OCc2csc(-c3ccccn3)n2)ccc1C 12477657 YJZSFRXPDIBQMK-UHFFFAOYSA-N 445.566 3.901 0 40 IHAB Cc1ccc2cc(CN(CCN3CCCC3)C(=O)NCc3ccccc3)c(=O)[nH]c2c1C 12704550 VJHSJTJRABTSDY-UHFFFAOYSA-N 432.568 3.953 0 40 IHAB COc1cc(COC(=O)CCN2C(=O)c3ccccc3C2=O)cc(Cl)c1OC(F)F 12896673 HVOMKPCSXYTSNX-UHFFFAOYSA-N 439.798 3.680 0 40 IHAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(CCOc2ccc(Cl)cc2)CC1 13030369 MUUJFWNOFXAXQL-UHFFFAOYSA-N 448.894 3.744 0 40 IHAB O=C(c1ccccc1Cl)N1CCC[C@H](c2nc(O)c3nnn(Cc4ccccc4)c3n2)C1 13116834 VMXIQMJTYJOAHB-INIZCTEOSA-N 448.914 3.648 0 40 IHAB CCn1c(CNC(=O)CSc2nnc(C)n2-c2ccc(OC)cc2)cc2ccccc21 13568317 OLWHBQAVVPTCBJ-UHFFFAOYSA-N 435.553 3.967 0 40 IHAB CCN(C(=O)CN1C(=O)c2ccccc2C1=O)[C@](C)(CC)C(=O)Nc1c(C)cccc1C 13940795 IOEMEGNQJPIYGO-RUZDIDTESA-N 435.524 3.555 0 40 IHAB C[C@H](C(=O)N[C@H]1CCCc2ccccc21)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 14093488 XAJNNGRZRDJOQX-UZLBHIALSA-N 432.490 3.805 0 40 IHAB Cc1cc(C(=O)CSc2ccc3c(c2)OCCCO3)c(C)n1[C@H]1CCS(=O)(=O)C1 14244609 HPNYSDGFLBXUKY-INIZCTEOSA-N 435.567 3.601 0 40 IHAB Cc1ccc2c(c1)C(=O)N(CCCC(=O)Nc1nc(CN3CCC(C)CC3)cs1)C2=O 14527275 FRCPPFMVKKQGHH-UHFFFAOYSA-N 440.569 3.698 0 40 IHAB Cc1sc2ncn(CC(=O)Nc3nc(CN4C[C@@H](C)C[C@@H](C)C4)cs3)c(=O)c2c1C 14528914 NYKPBDQJMJPQEC-BETUJISGSA-N 445.614 3.648 0 40 IHAB CCCCn1c(N)c(N(Cc2ccco2)C(=O)c2ccc(C(C)(C)C)cc2)c(=O)[nH]c1=O 14653164 PUUHTWRJZIFAGV-UHFFFAOYSA-N 438.528 3.656 0 40 IHAB CC[C@H](C)[C@H](NC(=O)Cc1c(C)c2cc3c4c(oc3cc2oc1=O)CCCC4)C(=O)O 15953448 PNBQAVJEMKILAJ-YTEVENLXSA-N 425.481 3.884 0 40 IHAB biogenic Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCc1cccc(C(F)(F)F)c1 15976922 ZHMUTWMWWBOLGI-UHFFFAOYSA-N 426.460 3.728 0 40 IHAB O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 16047977 DYPWJRYINZWJIP-UHFFFAOYSA-N 448.497 3.523 0 40 IHAB CCCCOc1cccc(C(=O)Nc2nc3ccc(S(=O)(=O)N(C)C)cc3s2)c1 17271064 YUFOAMOBMAJBJQ-UHFFFAOYSA-N 433.555 3.978 0 40 IHAB C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)c1ccc2c(c1)OCCO2 18891799 NMXQRSNCKKEYMH-KRWDZBQOSA-N 444.553 3.514 0 40 IHAB Cc1cccc(CC(=O)N2CCC(c3n[nH]cc3C(=O)N3CCc4ccccc4C3)CC2)c1 19234638 GSTHXMAFBPDNIA-UHFFFAOYSA-N 442.563 3.865 0 40 IHAB CN(CC(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1)CC(=O)N(C)C 19537793 ZIJKKVKFMUUQAR-UHFFFAOYSA-N 436.375 3.559 0 40 IHAB CC(=O)c1c(C)nn(CCC(=O)N2CCC3(CC2)Nc2ccccc2-n2cccc23)c1C 19578225 IJOHRWNVVDKJNW-UHFFFAOYSA-N 431.540 3.827 0 40 IHAB CNC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CN(Cc2cccc(Cl)c2)CCO1 19591902 UNLBKYHIUIXPMO-RUZDIDTESA-N 435.955 3.962 0 40 IHAB COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2CCN(C(=O)c3ccnn3C(C)C)C2)cc1 19695034 SZWQENSZCPOQDO-GOSISDBHSA-N 434.544 3.625 0 40 IHAB Nc1nc2c(cc1C(=O)NCc1ccccc1)CN(C(=O)CCCc1ccc(F)cc1)CC2 19701102 UEQPXVAVLJBJOR-UHFFFAOYSA-N 446.526 3.641 0 40 IHAB Cc1nc([C@@H]2CCCCN2C(=O)c2n[nH]c3c2CCCC3)nc2c1CCCN2CC1CC1 19706108 ANAZNGNAQZYQBE-NRFANRHFSA-N 434.588 3.917 0 40 IHAB CC[C@H](C(=O)N1CCC(c2ccc(C(=O)N3CCCCC3)cn2)CC1)N1CCCCC1 19708358 SODPFGYURGNKJJ-HSZRJFAPSA-N 426.605 3.678 0 40 IHAB CCn1ccnc1CN1CCCC[C@@H]1c1ncc(C(=O)NCc2cccc(OC)c2)c(C)n1 19764686 GEGNSQVXZRKZMT-JOCHJYFZSA-N 448.571 3.667 0 40 IHAB COc1ccc(C(=O)N[C@@]2(C(F)(F)F)N=C(c3ccccc3)N(C3CCCC3)C2=O)cc1 19939407 GCUGUQVPJFBZEN-QFIPXVFZSA-N 445.441 3.915 0 40 IHAB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cn(C)nc2C)n2nc(C(F)(F)F)nc2N1 20412960 KRUFBPVVBRGDQJ-MRXNPFEDSA-N 431.422 3.575 0 40 IHAB O=S(=O)(c1ccccc1)c1nnn2c1nc(N1CCc3ccccc31)c1sccc12 20516289 WENFHTYGFVDYGK-UHFFFAOYSA-N 433.518 3.866 0 40 IHAB O=C(Nc1ccccc1C(=O)OCc1cc(=O)n2c3c(sc2n1)CCCC3)c1ccco1 21016968 VZJDEPVKEBFBIS-UHFFFAOYSA-N 449.488 3.837 0 40 IHAB CCN(CC(=O)NCc1ccc(Cl)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 21130704 UFSDNHSUWWWXGD-UHFFFAOYSA-N 435.760 3.974 0 40 IHAB CN(c1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1)S(C)(=O)=O 22230592 TYSOCUPJSGDRDF-UHFFFAOYSA-N 436.839 3.772 0 40 IHAB Cc1cc(Cl)ccc1N(CC(=O)N[C@H]1CC(C)(C)Oc2ccccc21)S(C)(=O)=O 22336586 BJJXWKRYHLRDLM-KRWDZBQOSA-N 436.961 3.833 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1 22537123 MATBWQWAQOUACL-LJQANCHMSA-N 432.586 3.899 0 40 IHAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 22751440 SKKBPTGDORZDMR-NRFANRHFSA-N 434.540 3.673 0 40 IHAB O=C(NC[C@@H](c1cccs1)N1CCc2ccccc2C1)C(=O)NC1CCCCCC1 22908096 HKYUYCWHZQAKRW-NRFANRHFSA-N 425.598 3.803 0 40 IHAB O=C(Nc1c(-c2ccccc2)nc2sccn12)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 24785249 TYFPQSMULMKUIE-HNNXBMFYSA-N 446.488 3.783 0 40 IHAB O=C(c1cc(Cl)c2c(c1)OCO2)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 25245035 KFHYDEOJOOGAAW-UHFFFAOYSA-N 427.810 3.835 0 40 IHAB COc1cccc(CN(C)C(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)c1 27314040 AZSJHQOTGPUNMV-UHFFFAOYSA-N 446.569 3.541 0 40 IHAB CSc1ccc(CNC(=O)Cn2cc(-c3nc(-c4ccc(C)cc4)no3)ccc2=O)cc1 33170493 CCJVYDDGVMWFPE-UHFFFAOYSA-N 446.532 3.912 0 40 IHAB COc1ccc(N2C(=O)N=C(O)/C(=C\c3ccccc3I)C2=O)cc1 33666024 ANWBPHGIUOKAEZ-GXDHUFHOSA-N 448.216 3.807 0 40 IHAB Cc1ccc(Nc2nc(N)nc(CN(C)CCOc3ccc(Br)cc3)n2)cc1 37406125 MGXAYQAYKYABFJ-UHFFFAOYSA-N 443.349 3.779 0 40 IHAB Cc1nn(-c2ccc3nncn3n2)c2c1[C@@H](c1ccccc1OC(F)(F)F)CC(O)=N2 40283538 LJFNGPUBISPMNM-GFCCVEGCSA-N 429.362 3.641 0 40 IHAB O=C1C[C@@H](C(=O)Nc2ccc(Cl)cc2)c2c(nc(Nc3ccc(Cl)cc3)[nH]c2=O)N1 40399204 ZNMCYYQUPSBATN-CQSZACIVSA-N 444.278 3.885 0 40 IHAB COc1cc(CNC(=O)c2cncc(C(=O)NCc3ccc(C)c(OC)c3)c2)ccc1C 65418409 DYQRFCKOUSJVAQ-UHFFFAOYSA-N 433.508 3.576 0 40 IHAB CCOc1ccc(-c2cc3c(=O)n(CCC(=O)N[C@@H](C)c4ccccc4)ccn3n2)cc1 67261224 MYUIATABENQWMK-SFHVURJKSA-N 430.508 3.829 0 40 IHAB Cc1cccc(C)c1NC(=O)c1nnn(CC(=O)Nc2ccc(Br)cc2)c1C 67322621 FNLOEAQHAGACHG-UHFFFAOYSA-N 442.317 3.857 0 40 IHAB COC(=O)[C@H](CC(C)C)NC(=O)[C@H]1Cc2c([nH]c3ccccc23)CN1C(=O)OC(C)(C)C 68605648 LNUGLRXJRVKRNO-AZUAARDMSA-N 443.544 3.534 0 40 IHAB Cc1cccc(-c2cccc(C[C@]3(C(N)=O)CCCN(C(=O)Cc4c(C)n[nH]c4C)C3)c2)c1 72391530 CYBZBYMPKHEGBX-HHHXNRCGSA-N 444.579 3.881 0 40 IHAB COc1cc(C(=O)N[C@H](C)c2ccc([S@](C)=O)cc2)cc(OC)c1Br 89904887 VBPGHEUJHAOUGL-SSINHNECSA-N 426.332 3.695 0 40 IHAB COC(=O)N[C@@H](CC(C)C)C(=O)N1CCC(Oc2cccc(Br)c2)CC1 95940338 KJVGLUHJARIZGS-KRWDZBQOSA-N 427.339 3.590 0 40 IHAB COc1ccc([C@H]2SCC(=O)Nc3c2c(O)nn3[C@H]2CCOC(C)(C)C2)cc1OC 96116707 IXCIPJWUUATRFN-SCLBCKFNSA-N 433.530 3.511 0 40 IHAB CC(=O)Nc1ccc(CCN[C@@H](C)c2cc3c(cc2Br)NC(=O)CO3)cc1 97161951 XTDXEWLZHZQKQJ-LBPRGKRZSA-N 432.318 3.632 0 40 IHAB Cc1ccc(Oc2ccc(NC(=O)CN3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@H]6C[C@H]56)[C@H]4C3=O)cc2)cc1 100284241 HDGXAMFZBUFNBI-FWDUKEBRSA-N 428.488 3.779 0 40 IHAB Cc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cc2)cc1C 101039358 WUERUYXEXOPARX-ZZTDLJEGSA-N 429.472 3.655 0 40 IHAB CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)ccc1OCC(N)=O 106681641 ILNUFFIFKVSEPX-ZDLGFXPLSA-N 446.912 3.839 0 40 IHAB CC(C)Oc1cccc(CNC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)c1 113959013 UFAXFUBUTKWLSP-UHFFFAOYSA-N 430.570 3.720 0 40 IHAB COc1ccc(Br)c(C(=O)Nc2cnn(C[C@H]3COc4ccccc4O3)c2)c1 207997239 HERGWUWIXVCVAU-HNNXBMFYSA-N 444.285 3.747 0 40 IHAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1cccc(C)c1 222886044 MOBNEOSBXLMAJQ-VWLOTQADSA-N 430.548 3.932 0 40 IHAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 222927844 MOJZJKYWSAVHHN-QFIPXVFZSA-N 444.597 3.675 0 40 IHAB CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)COc1ccc(Br)c(C)c1 222952364 BSAJLONDGYAGFP-LJQANCHMSA-N 433.346 3.690 0 40 IHAB CC(C)c1ccccc1N(CC(=O)NCc1cccc(C(F)(F)F)c1)S(C)(=O)=O 223143478 PAMYUDYKWLEOAM-UHFFFAOYSA-N 428.476 3.911 0 40 IHAB OCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Br)cc1 223587604 UGSNQDRTWKMBRY-RTBURBONSA-N 443.370 3.600 0 40 IHAB COc1ccc(N(CCCC(=O)NCCOc2ccccc2C(C)C)S(C)(=O)=O)cc1 223823766 KXTWKVFPIYUBAR-UHFFFAOYSA-N 448.585 3.560 0 40 IHAB COc1ccc(S(=O)(=O)NCc2cccc(Cl)c2)cc1C(=O)N1CCCCCC1 223875593 MFOIDXVMCDFWNR-UHFFFAOYSA-N 436.961 3.843 0 40 IHAB COc1ccc(S(=O)(=O)N(C)Cc2cccc3ccccc23)cc1C(=O)NC(C)C 223883294 KWDQYXMDWVHKGR-UHFFFAOYSA-N 426.538 3.807 0 40 IHAB Cc1cccc(OCCNC(=O)CCCN(c2cccc(C)c2C)S(C)(=O)=O)c1C 223958087 LSAFDHNANXNYLU-UHFFFAOYSA-N 432.586 3.662 0 40 IHAB CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1cc(C)c(Cl)c(C)c1 224038748 SIXVSMJEPUKFOU-KRWDZBQOSA-N 432.948 3.898 0 40 IHAB CN(C(=O)c1cccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)c1)[C@@H]1CCCC[C@H]1O 224274503 UNOBRBTZQHJASZ-WOJBJXKFSA-N 436.961 3.541 0 40 IHAB CSc1ccc(S(=O)(=O)NCCCN2CCc3ccccc32)cc1NC(=O)C(C)C 225450819 FEYCHOSIVNNRJE-UHFFFAOYSA-N 447.626 3.734 0 40 IHAB CC[C@@H](C(=O)NCc1cccc(C(F)(F)F)c1)N(c1ccc(C)cc1)S(C)(=O)=O 225648002 CWTAYXUBAFEFBD-SFHVURJKSA-N 428.476 3.875 0 40 IHAB CCN1CCN(C(=O)c2cnc(C)nc2C)[C@H](Cc2ccc(-c3cccs3)cc2)C1=O 257238328 HKLLDOYDMGSXEI-OAQYLSRUSA-N 434.565 3.738 0 40 IHAB CC[C@H]1CCCCN1CCCNC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 260561233 ANRBIKGCCDYXRT-NRFANRHFSA-N 443.613 3.896 0 40 IHAB CCc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 408654922 GYVJEUOCIBFRNJ-WOJBJXKFSA-N 432.476 3.500 0 40 IHAB Cc1ccc(C)c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)c2)c1 408659027 LSCKIIQHLMXBKA-PMACEKPBSA-N 434.492 3.779 0 40 IHAB Cc1ccccc1N1C[C@@H](C(=O)Oc2ccc(N3C(=O)c4ccccc4C3=O)cc2)CC1=O 408672673 VTJDBOGJJAJLLG-KRWDZBQOSA-N 440.455 3.754 0 40 IHAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(C(N)=O)cc2)cc1 408676442 OCARZMMBRDTOQM-UHFFFAOYSA-N 427.460 3.925 0 40 IHAB CCCC[C@@H](CC)CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1cccc(OC)c1 408709503 BZLBIVHRMRYMNN-GOSISDBHSA-N 439.556 3.896 0 40 IHAB C[C@H](C(=O)NCCSCc1ccccc1Cl)N(c1ccccc1)S(C)(=O)=O 408921610 JNKCLULNYSIYDM-OAHLLOKOSA-N 426.991 3.544 0 40 IHAB CCn1c(SCC(=O)Nc2ncccc2C)nnc1[C@@H](C)NC(=O)c1cccc(C)c1 409132505 YJGGAPIQIBLLBD-MRXNPFEDSA-N 438.557 3.532 0 40 IHAB Cn1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)c2ccccc21 409204341 FWESPZINRRQBGH-KEBDBYFISA-N 449.488 3.625 0 40 IHAB NC(=O)C1CCN(C(=S)c2ccc(OCc3ccc(Br)cc3)cc2)CC1 409206937 NMMYMECYDCPXNS-UHFFFAOYSA-N 433.371 3.901 0 40 IHAB COCCNC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1-c1ccc(C)c(C)c1 409211215 NFKSZUDYLNNWGW-UHFFFAOYSA-N 431.583 3.536 0 40 IHAB Cc1cccc(N(CC(=O)Nc2ccc(Br)cc2F)S(C)(=O)=O)c1C 409272164 PBKXJWIMIXKYBF-UHFFFAOYSA-N 429.311 3.610 0 40 IHAB CCn1c(CNC(=O)c2ccccc2)nnc1SCC(=O)Nc1c(C)cc(C)cc1C 409334293 WTVZZAYCQDKDLH-UHFFFAOYSA-N 437.569 3.884 0 40 IHAB CCn1c(CC(=O)Nc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(OC)cc1 409343382 GTIULBZGYNHDME-UHFFFAOYSA-N 439.541 3.527 0 40 IHAB CC[C@H](C)[C@H](NC(=O)CCCn1c(O)nc2ccccc2c1=O)c1nc2ccccc2[nH]1 524734180 FUDWHBRHYYDKGZ-BTYIYWSLSA-N 433.512 3.662 0 40 IHAB Cc1noc(C)c1C(=O)NC[C@H]1CC[C@@H]2CN(C(=O)c3ccccc3)c3ccccc3CN12 585110137 NMBWSBITNVBAJJ-FGZHOGPDSA-N 444.535 3.715 0 40 IHAB CCCCCN1CCC2(CCCCCOC[C@@H](C)NC(=O)[C@H](CC(C)C)NC2=O)CC1 643581678 PXQJSHDBSHSLHR-YADHBBJMSA-N 437.669 3.885 0 40 IHAB CCC(CC)NC(=O)CCc1ccc2c(c1)CN(C(C)C)CC(=O)NCCCCCO2 1848441821 BVEODOXVXSCPKI-UHFFFAOYSA-N 431.621 3.813 0 40 IHAB COC(=O)c1c(NC(=O)COc2ccc(I)cc2)sc(C)c1C 1067927 HOLWZUWVEJEVNC-UHFFFAOYSA-N 445.278 3.774 0 40 IHAB O=C(Nc1nc(-c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)cs1)C1CC1 1355774 NKSDCXLWKDFRBN-UHFFFAOYSA-N 425.535 3.910 0 40 IHAB CCCCNC(=O)c1c(N)n(-c2ccc(N3CCOCC3)cc2)c2nc3ccccc3nc12 2365184 BRFOMRQHBSGDTF-UHFFFAOYSA-N 444.539 3.522 0 40 IHAB COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-c2cccc(C(F)(F)F)c2)cc1 2448734 ACTNSIAWFJHFMN-UHFFFAOYSA-N 429.398 3.722 0 40 IHAB O=C(CNC(=O)c1ccccc1OCCOc1ccccc1)Nc1ccc(F)c(F)c1F 2626512 DPERKKGGDAUGDK-UHFFFAOYSA-N 444.409 3.930 0 40 IHAB CC(=O)c1cccc(S(=O)(=O)Nc2ccccc2NS(=O)(=O)c2ccc(F)cc2)c1 2660478 MRMUHTWNFMLREV-UHFFFAOYSA-N 448.497 3.630 0 40 IHAB Cc1ccc(C(=O)COC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccco2)cc1 2937316 WYNCAQMSTRPHTL-NRFANRHFSA-N 430.460 3.837 0 40 IHAB COc1ccc(CCNC(=O)CSc2nnc3cc(C)c4ccccc4n23)cc1OC 3267141 CHEDIGMARJNVQD-UHFFFAOYSA-N 436.537 3.659 0 40 IHAB COc1ccc(Cl)cc1NC(=O)COC(=O)COc1cccc(Br)c1 3316380 QAETVBGCRWWRPW-UHFFFAOYSA-N 428.666 3.672 0 40 IHAB COc1ccc(C(=O)OCC(=O)c2cc(C)n(CC(F)(F)F)c2C)c(OC)c1OC 3403894 HIPSSXWOSOWIMS-UHFFFAOYSA-N 429.391 3.733 0 40 IHAB O=C(Oc1ccc(Oc2ccccc2)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 3566598 HHNQYADIOYIZMR-UHFFFAOYSA-N 439.489 3.719 0 40 IHAB CCCCc1cc(=O)oc2c(C)c(OCC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)ccc12 4073162 FZDXWPBMMTUCCU-DFBJGRDBSA-N 427.541 3.976 0 40 IHAB biogenic CCOc1ccc(NC(=O)CN(C)CC(=O)N[C@@H]2CCCc3ccccc32)cc1OCC 4167057 VNNFNQYJVBIDAE-OAQYLSRUSA-N 439.556 3.548 0 40 IHAB O=C(CCC1CCCCC1)N[C@@]1(C(F)(F)F)NC(=O)N(CCc2ccccc2)C1=O 4581040 CMIWKMVPBRZSGS-HXUWFJFHSA-N 425.451 3.516 0 40 IHAB O=C(OCc1ccc(-n2cccn2)cc1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 8849651 CVPSCLLHXVKSKH-UHFFFAOYSA-N 427.416 3.619 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCCOc1ccccc1 8860843 IUONQSBGEAMDBB-UHFFFAOYSA-N 432.542 3.668 0 40 IHAB CC(=O)Nc1cccc(NC(=O)CNC(=O)c2ccc3noc(-c4ccccc4)c3c2)c1 8990298 IKFZMLWCAJFYFU-UHFFFAOYSA-N 428.448 3.822 0 40 IHAB CS(=O)(=O)Nc1ccccc1C1=NN(C(=O)c2ccc(F)cc2)[C@@H](c2ccco2)C1 9060556 FGYQFJIOWFWYJX-LJQANCHMSA-N 427.457 3.782 0 40 IHAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N(Cc2cccs2)C[C@@H]2CCCO2)c1 9125055 VDCOPGWTIZXQIU-SFHVURJKSA-N 436.599 3.600 0 40 IHAB CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(NC(=S)NC)cc1 9125154 RHNOHMNNKIXAAQ-UHFFFAOYSA-N 444.376 3.565 0 40 IHAB CC(=O)c1ccc(N2C(SCCCc3ccccc3)=N[C@H]3CS(=O)(=O)C[C@H]32)cc1 9411057 PDIMQPXDLBNESV-LEWJYISDSA-N 428.579 3.597 0 40 IHAB CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)c1ccc(OC)c(OC)c1 9418735 XMKUCECFGCQXQR-UHFFFAOYSA-N 428.441 3.631 0 40 IHAB CCc1ccc(-c2n[nH]c(SCC(=O)Nc3sc4c(c3C(N)=O)CCCC4)n2)cc1 9465144 RBEKAVHIMFFUAN-UHFFFAOYSA-N 441.582 3.804 0 40 IHAB COc1ccccc1-c1nc(SC/C=C/c2ccccc2)c2c(=O)n(C)c(=O)n(C)c2n1 9517542 JXNRXIJTYYVMHS-FMIVXFBMSA-N 446.532 3.508 0 40 IHAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cccc(OCc2c(C)noc2C)c1 9712455 WORVIXNPEBUEGY-UHFFFAOYSA-N 432.480 3.769 0 40 IHAB Cc1sc2nc(CSCC(=O)N3c4ccccc4NC(=O)C3(C)C)[nH]c(=O)c2c1C 9741045 MGXBQDXEGYHYMP-UHFFFAOYSA-N 442.566 3.599 0 40 IHAB C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)N1CC(=O)Nc2ccccc21 9782533 SOZCLZZSVSANJP-LBPRGKRZSA-N 425.539 3.807 0 40 IHAB Cc1c(-c2nsc(NC(=O)c3ccco3)n2)nnn1-c1ccc(Br)cc1 9941139 HQSHOYBLSQBBMR-UHFFFAOYSA-N 431.275 3.702 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2c(C)cc(C)cc2C)C1 9974798 SQWOOJXIMFEXGV-LJQANCHMSA-N 430.570 3.968 0 40 IHAB COc1cc(/C=C/C(=O)O)cc(Br)c1OS(=O)(=O)c1c(F)cccc1F 9984387 VEYCJNKFMBGGGF-AATRIKPKSA-N 449.225 3.601 0 40 IHAB COc1cn(CC(=O)Nc2cccc(C)c2C)c(CSc2nc(C)cc(C)n2)cc1=O 10255001 SJBWGZTVEISRMD-UHFFFAOYSA-N 438.553 3.812 0 40 IHAB Cc1sc2ncnc(N3CCC(C(=O)NCCCN4CCC(C)CC4)CC3)c2c1C 10300152 PXOSFVROJQOLDN-UHFFFAOYSA-N 429.634 3.763 0 40 IHAB CCOc1ccc(N(CC(=O)N2CCC[C@H](C)C2)S(=O)(=O)c2ccc(F)cc2)cc1 10541565 CLGZYTXLUWXAPR-KRWDZBQOSA-N 434.533 3.678 0 40 IHAB CCc1ccc(S(=O)(=O)N2CCN(c3ccc(-c4ccc(C)cc4C)nn3)CC2)s1 11695371 CXPVIUZALYQIDC-UHFFFAOYSA-N 442.610 3.895 0 40 IHAB CCCC[C@@H](CC)CNC(=O)[C@H](C)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 12863481 HBPHGEOCKVHMIJ-QLODZENZSA-N 438.572 3.925 0 40 IHAB biogenic C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)N(Cc1ccccc1F)C1CC1 12974346 RZOHSQJVBYYJFK-VWLOTQADSA-N 435.499 3.706 0 40 IHAB COc1cc(/C=C/C(=O)N(C)CC(=O)Nc2ccccc2SC)cc(OC)c1OC 13130070 LOONYVSPKAFHJK-ZHACJKMWSA-N 430.526 3.545 0 40 IHAB CS(=O)(=O)N(CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccccc1 13844307 ASFVFFUEGBHECC-UHFFFAOYSA-N 442.924 3.976 0 40 IHAB CN(CC(=O)Nc1ccccc1C(=O)NC1CCCC1)Cc1cnn(-c2ccccc2)c1 13987515 YFGTXKCJCKIEDX-UHFFFAOYSA-N 431.540 3.615 0 40 IHAB CCCN(Cn1nc(Nc2ccccc2OCC)sc1=S)[C@H]1CCS(=O)(=O)C1 14264618 XFROSJBXRMNCOL-AWEZNQCLSA-N 442.632 3.673 0 40 IHAB CC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3ccccc3Cl)co2)s1 16047735 IPYZYHRXOXXDJW-UHFFFAOYSA-N 437.886 3.615 0 40 IHAB Cc1cc(C)n(CC(=O)Nc2ccc(Cl)cc2)c(=O)c1S(=O)(=O)c1ccccc1 17011455 GWYNMRQGSOCQPK-UHFFFAOYSA-N 430.913 3.590 0 40 IHAB CC1CCN(S(=O)(=O)c2ccc(NC(=S)Nc3cccc([C@@H](C)O)c3)cc2)CC1 17098610 ZWNITZYSIVPGNY-MRXNPFEDSA-N 433.599 3.969 0 40 IHAB Cc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@H](O)c3ccc(N4CCCC4=O)cc3)CC1)O2 19219257 MMWNFJZEJZJHQC-GOTSBHOMSA-N 436.552 3.506 0 40 IHAB CCCN1CCN(C(=O)c2ccnn2C)C[C@@H](Cc2ccccc2-c2ccccc2)C1=O 19503212 QAOZTLRZMLUMOK-JOCHJYFZSA-N 430.552 3.640 0 40 IHAB COc1cccc([C@H]2CN(C(=O)C3CCCC3)[C@@H]3CCN(C(=O)c4cscn4)C[C@H]23)c1 19566301 QSGRCLGAHOURMH-KCZVDYSFSA-N 439.581 3.799 0 40 IHAB COc1cccc(CN2C(=O)CCc3c(C)nc([C@@H]4CCCN(C(=O)C5CCC5)C4)nc32)c1 19703439 QVJWSFKOLYNYBZ-HXUWFJFHSA-N 448.567 3.779 0 40 IHAB COc1cccc(C(=O)N2CC[C@@H](c3ccc4c(NCc5cccc(C)n5)n[nH]c4n3)C2)c1 19704699 HERLTZKTQBRNRE-GOSISDBHSA-N 442.523 3.912 0 40 IHAB CC(=O)N[C@H]1C[C@@H](c2ccccc2NC(=O)c2cc3nc(C)cc(C)n3n2)O[C@@H](C(C)C)C1 19712200 JVNBPMNTIUNONK-YSZBQJHXSA-N 449.555 3.979 0 40 IHAB COc1ccccc1CNc1n[nH]c2nc([C@@H]3CCCN(C(=O)C(C)(C)OC)C3)ccc12 19742243 BBLGUHYMOCAWPA-QGZVFWFLSA-N 437.544 3.710 0 40 IHAB CNc1cc(C(=O)N2CC[C@@H](c3cc(C(=O)NCC(C)C)c4ccccc4n3)C2)ccn1 19756948 ALHHCAGQBVKFSP-GOSISDBHSA-N 431.540 3.687 0 40 IHAB COc1cccc(CC(=O)N2CC[C@H](c3ncc(C(=O)Nc4ccccc4F)c(C)n3)C2)c1 19758043 BNPGSBLNDCHVAM-SFHVURJKSA-N 448.498 3.744 0 40 IHAB CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@@H]1c1ccccn1 19820392 DSMDTJHNZVTDDV-FCHUYYIVSA-N 426.476 3.747 0 40 IHAB CCC(C)(C)n1nnnc1[C@@H](c1ccc(OC)cc1)N1CCN(C2CCCCC2)CC1 20140042 IYHSVYSADCDNGI-JOCHJYFZSA-N 426.609 3.867 0 40 IHAB CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)C1 20456831 OAUMHXJSKYCMSD-OAHLLOKOSA-N 437.949 3.589 0 40 IHAB O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl)N1CCCC1 21273672 YYCGBTMOGAGNNE-UHFFFAOYSA-N 445.343 3.946 0 40 IHAB CN(C(=O)COC(=O)c1ccc2c(c1)OCO2)[C@]1(c2ccccc2Cl)CCCCC1=O 21577615 PNWTZPYPHAPSGP-QHCPKHFHSA-N 443.883 3.723 0 40 IHAB COc1ccc(CC(=O)N2CCN(Cc3nc(-c4ccc(F)cc4)cs3)CC2)cc1 21687644 SEEHUWLYXGPEBL-UHFFFAOYSA-N 425.529 3.845 0 40 IHAB O=C(CN1N=C(c2ccccc2)c2cc(Cl)ccc2S1(=O)=O)Nc1ccccc1F 21942471 XHYGZTQLCCILPM-UHFFFAOYSA-N 443.887 3.875 0 40 IHAB O=C(Nc1ccccc1C(=O)N1CCC(NC(=O)c2ccccc2)CC1)c1ccccc1 22699689 SMTQILZYWUVTPZ-UHFFFAOYSA-N 427.504 3.974 0 40 IHAB CC(=O)c1ccc(NC(=O)[C@H](C)N(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 23861396 XDDKLDJGGXUCKP-ZDUSSCGKSA-N 437.418 3.685 0 40 IHAB CC(C)(C)SCCNC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 24608459 SFZJHFVTYGKMBG-UHFFFAOYSA-N 433.039 3.530 0 40 IHAB COc1cc(F)c(S(=O)(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1OC 27956593 CKCMHJLETOOIAL-INIZCTEOSA-N 437.489 3.530 0 40 IHAB Cc1ccc(-c2nnc(SCCCNc3c[nH]c(=O)[nH]c3=O)n2-c2ccc(C)cc2)cc1 28047648 HGGBKRUSWRHYBD-UHFFFAOYSA-N 448.552 3.522 0 40 IHAB CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 30756637 WOHLOSKBPHDMRQ-MRXNPFEDSA-N 425.510 3.851 0 40 IHAB CCOc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)cc1 30815520 UMHGHKKTYHOSSG-AEFFLSMTSA-N 436.599 3.733 0 40 IHAB CC[C@@](C)(CNC(=O)c1c(C)nn(Cc2ccccc2Cl)c1Cl)N1CCOCC1 31930916 MUZXTUNRUXZFAF-NRFANRHFSA-N 439.387 3.777 0 40 IHAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N(C)Cc1ccc(Br)s1 32678763 MKFZRWAVNLMPFF-QGZVFWFLSA-N 434.359 3.698 0 40 IHAB O=C(CSc1nnc(CN2CCCC2)o1)NCc1ccc(-c2ccc(Cl)cc2)o1 32719075 SMRUFCDNBHHDNE-UHFFFAOYSA-N 432.933 3.987 0 40 IHAB COc1ccc(C)cc1NC(=O)NCc1cc(=O)n2nc(-c3ccccc3C)sc2n1 32995978 BMGCFLWJJSXXGU-UHFFFAOYSA-N 435.509 3.765 0 40 IHAB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(C(=O)O)cc4)[C@H]3C2=O)cc1 35843307 OQASDXQACGOCDP-VSKRKVRLSA-N 428.444 3.744 0 40 IHAB Cc1ccc(NC(=O)CS[C@H](C)C(=O)N2CCC(c3nnc4ccccn34)CC2)cc1 37115855 KGSFICVATUPUPB-QGZVFWFLSA-N 437.569 3.504 0 40 IHAB CCN(CC(=O)Nc1cc(C)ccc1OC)S(=O)(=O)c1cc(Cl)ccc1Cl 39985435 BQUPOJCKCRWMIK-UHFFFAOYSA-N 431.341 3.960 0 40 IHAB Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 40105390 GCKODEAXVLCDLV-UHFFFAOYSA-N 429.540 3.650 0 40 IHAB COc1ccc(Cc2nn(CN3CCC[C@@H]3c3nnc4n3CCCCC4)c(=S)o2)cc1 40118706 NJJSRAAMZPSVJR-GOSISDBHSA-N 440.573 3.917 0 40 IHAB O=C(Nc1ccc(F)cc1F)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 41105466 TXUFYNCKLNXDPJ-UHFFFAOYSA-N 431.464 3.656 0 40 IHAB Cc1ccc([C@@H](C)NC(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c(C)c1 44935117 APIAPGCFGYCOCB-FOIQADDNSA-N 436.961 3.751 0 40 IHAB COc1ccc([C@@H](CC(C)C)NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3ccccc3O2)cc1 44937406 WQONSRDSKBVZLE-KNQAVFIVSA-N 446.569 3.516 0 40 IHAB O=C1C[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c2ccc(F)cc2N1 48289046 UNQPRPXAKGGBTJ-HNNXBMFYSA-N 437.393 3.746 0 40 IHAB CC[C@H](C)c1ccccc1N1C[C@H](C(=O)N2CCN(C(=O)c3ccccc3)CC2)CC1=O 49590341 CVBMEDGOEAXDKN-PZJWPPBQSA-N 433.552 3.538 0 40 IHAB Cc1cccc(NC(=O)Cn2c(=O)n(Cc3ccc(Cl)cc3)c(=O)c3ccccc32)c1 57473092 DWCISACGGLOAPD-UHFFFAOYSA-N 433.895 3.812 0 40 IHAB CC(C)CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(Br)cc2)c1=O 57526002 MYXSJADDTIGHLP-UHFFFAOYSA-N 444.329 3.611 0 40 IHAB COC(=O)c1ccc(Cl)cc1NC(=O)Cn1c(-c2cccc(Cl)c2)nc(C)cc1=O 57527000 ULUOXKHZWJSCEJ-UHFFFAOYSA-N 446.290 3.951 0 40 IHAB CCCN(C(=O)c1ccc(C)c(NS(C)(=O)=O)c1)[C@@H]1CCCN(Cc2ccccc2)C1 60347641 RUOBJZUOLFCWLP-JOCHJYFZSA-N 443.613 3.883 0 40 IHAB CCOc1ccc(-n2ccn3c(SCC(=O)c4ccc(C)cc4C)nnc3c2=O)cc1 64593808 LYJSHEICJFTGSJ-UHFFFAOYSA-N 434.521 3.871 0 40 IHAB CCN(C(=O)Cn1c(=O)n(-c2cccc(C)c2C)c(=O)c2sccc21)c1ccccc1 67218340 GOVFZALZKSHWIF-UHFFFAOYSA-N 433.533 3.884 0 40 IHAB CCOc1ccccc1N1CCN(C(=O)c2n[nH]nc2Nc2ccc(Cl)cc2)CC1 67284332 ORRPNTJCVHDMEE-UHFFFAOYSA-N 426.908 3.563 0 40 IHAB Cc1nc([C@H]2CCCN2S(=O)(=O)c2ccccc2)nc2c1CCCN2Cc1ccccn1 72372941 YRQWKFBTVZZQCJ-JOCHJYFZSA-N 449.580 3.659 0 40 IHAB Cc1ccc(C2(C(=O)Nc3nnc(CCn4nc(C)cc4C)s3)CCOCC2)cc1 72392131 RIGLWWRJCCRTDZ-UHFFFAOYSA-N 425.558 3.589 0 40 IHAB O=C(NCCC(c1ccccc1)c1ccccc1)c1c[nH]c(=O)n(Cc2cccs2)c1=O 77099305 XPJAIKFTDUJKQQ-UHFFFAOYSA-N 445.544 3.598 0 40 IHAB Cn1nc([C@@H]2CCCN(C(=O)c3ccccc3C(F)(F)F)C2)n(-c2ccccc2)c1=O 77100561 MFPBYSMDWQTQFJ-OAHLLOKOSA-N 430.430 3.610 0 40 IHAB COc1ccc(NC(=O)C(=O)NC[C@@](C)(O)c2ccc(-c3ccccc3)cc2)cc1Cl 77184401 MHIMRBODAKRBIQ-XMMPIXPASA-N 438.911 3.978 0 40 IHAB CC(C)C[C@H](NC(=O)C(=O)Nc1ccn(Cc2ccccn2)n1)c1ccc(Cl)cc1 84509864 KQGYEFKQUTZKHL-IBGZPJMESA-N 425.920 3.822 0 40 IHAB COc1ccc(-c2nn(-c3ccccc3)cc2CN2CCN(c3cnccn3)CC2)cc1 96742748 BGZJQQPEOFFKHN-UHFFFAOYSA-N 426.524 3.660 0 40 IHAB O=C(CS(=O)(=O)CCCc1ccccc1)Nc1cnccc1Nc1ccc(F)cc1 97230836 CRWLLGMCYAROJQ-UHFFFAOYSA-N 427.501 3.950 0 40 IHAB O=C([C@H](Sc1ccccc1)c1ccccc1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 102421485 IJIQSPAJJGAWKG-TUNNFDKTSA-N 445.606 3.715 0 40 IHAB COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1OC 143429856 HJOIRVYWNPPQJO-UHFFFAOYSA-N 426.494 3.686 0 40 IHAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ncc(-c4ccccc4)o3)cc2)nc(C)n1 206585487 QWRMDFWNXUTPBZ-UHFFFAOYSA-N 449.492 3.802 0 40 IHAB CCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)OCC)CC3)cc2)cc1 222999778 JKEQZEPDRGDZDQ-UHFFFAOYSA-N 432.498 3.651 0 40 IHAB COc1ccc(CNC(=S)Nc2ccc(C)c(N3CCCC3=O)c2)c(OC)c1OC 225527313 ZFXJACRTGNEOAI-UHFFFAOYSA-N 429.542 3.634 0 40 IHAB COc1ccc(CSCC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)C)cc1 225682982 ZARVRCPHSFHRTF-IBGZPJMESA-N 428.598 3.913 0 40 IHAB Cc1nc2sc([C@H](c3cccc(Br)c3)N3C[C@H](C)O[C@@H](C)C3)c(O)n2n1 227779712 JCKYSIBHMXJEEI-PGUXBMHVSA-N 437.363 3.766 0 40 IHAB Cc1cc(CN2C[C@@H](c3ccc(F)cc3)[C@@]3(CCCCC(=O)N3)C2)cc(C(=O)O)c1O 257208189 BLCALMVPXLABSQ-GBXCKJPGSA-N 426.488 3.566 0 40 IHAB O=C(NC1CCCC1)c1cc([C@H]2CCCCN2C(=O)c2cccc(Cn3ccnc3)c2)n[nH]1 257245440 IPNXVXCPTAYKTB-HSZRJFAPSA-N 446.555 3.694 0 40 IHAB CN(C)c1nc2ccccc2cc1CN1CCO[C@@H](c2cccc(-c3cnn(C)c3)n2)C1 257268428 MLQPRLGHFPOHPN-XMMPIXPASA-N 428.540 3.670 0 40 IHAB Cc1cc(C(F)F)nn1CC(=O)NCc1ccc(-c2nn(C)cc2-c2ccncc2)cc1 257313714 UTTKBHMOMQQRQW-UHFFFAOYSA-N 436.466 3.908 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1 408584484 QKRKVLZGHBKJLT-LJQANCHMSA-N 444.553 3.683 0 40 IHAB Cc1ccc(C)c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)c2)c1 408659026 LSCKIIQHLMXBKA-BGYRXZFFSA-N 434.492 3.779 0 40 IHAB Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)cc2)c(C)c1 408666815 SSRISNAASUMTRS-BGYRXZFFSA-N 432.476 3.555 0 40 IHAB COc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c2c(OC)cccc12 409212855 RCZAQEOXALQYDQ-UYRXBGFRSA-N 440.521 3.906 0 40 IHAB CN(C(=O)CCSc1ccc2c(c1)OCCO2)[C@@H]1CCCN(c2ccccc2)C1=O 606201654 VVZBHMRRJKIRQY-LJQANCHMSA-N 426.538 3.594 0 40 IHAB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N[C@@]1(C(=O)O)CCc2ccccc21 675990420 IHRFWURKGHMRKF-NVQXNPDNSA-N 428.488 3.590 0 40 IHAB CCOC(=O)c1c(NC(=S)NC(=O)c2ccc3c(c2)OCCO3)sc2c1CCCC2 724759 YJFZXOWXGCZVNF-UHFFFAOYSA-N 446.550 3.702 0 40 IHAB COc1ccccc1NC(=O)Cn1nnc(-c2ccccc2NC(=O)C2CCCCC2)n1 1372763 LYDIHGCUYIWVHI-UHFFFAOYSA-N 434.500 3.506 0 40 IHAB O=C(Nc1ccc(F)c(F)c1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 1401328 RFQTWTQIGZPKJJ-INIZCTEOSA-N 445.285 3.519 0 40 IHAB Cc1cc(C)c2oc(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)cc(=O)c2c1 2239560 LITSDBFGXQJPOE-UHFFFAOYSA-N 428.491 3.675 0 40 IHAB CC(=O)c1cccc(NC(=O)CSc2nnc([C@H](C)N(C)C)n2-c2ccc(F)cc2)c1 2625102 MQLOSKAKPDRCEF-AWEZNQCLSA-N 441.532 3.962 0 40 IHAB COc1ccc(C(C)=O)cc1COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 3372881 XDBKMCCFVWXBCJ-UHFFFAOYSA-N 433.416 3.644 0 40 IHAB COc1cc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2cccs2)c(OC)cc1Cl 6237912 NDPFKHBMLBVNKD-KRWDZBQOSA-N 431.905 3.938 0 40 IHAB O=C(Nc1nc2c(s1)CC[C@@H]2C(=O)NCCc1ccccc1)c1ccc2c(c1)OCO2 9132480 GCBYVUAVCFYQOZ-INIZCTEOSA-N 435.505 3.513 0 40 IHAB CCSc1ncc(Br)c(C(=O)Nc2nonc2-c2ccc(OC)cc2)n1 9410274 LIKVDSJBDOZMNI-UHFFFAOYSA-N 436.291 3.662 0 40 IHAB C[C@@H]1Oc2ccc(NC(=O)c3cn(-c4ccccc4)nc3-c3cccnc3)cc2NC1=O 9502071 CRIYQZWZNHFACX-HNNXBMFYSA-N 425.448 3.906 0 40 IHAB Cc1ccccc1NC(=O)COC(=O)CCS(=O)(=O)c1cc(Cl)ccc1Cl 9525809 YWDKEAMYENDCMU-UHFFFAOYSA-N 430.309 3.648 0 40 IHAB COc1ccc(Br)cc1CN(C)C(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2 9545849 ANOAAUVJMLMWEI-UHFFFAOYSA-N 449.389 3.749 0 40 IHAB O=C(CSc1ncc(CO)n1Cc1c(F)cccc1F)N1CCCc2ccccc21 9650304 KJKZKAAEZGAUEP-UHFFFAOYSA-N 429.492 3.773 0 40 IHAB COc1ccc(NS(=O)(=O)c2cccc(C(=O)NCCOc3ccc(C)cc3)c2)cc1 9670149 ZGYYWSJRQNKWHL-UHFFFAOYSA-N 440.521 3.613 0 40 IHAB CSc1ccccc1-c1nnc(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)o1 9707581 NEGIDEHCRBOSJC-UHFFFAOYSA-N 437.930 3.914 0 40 IHAB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 9710965 NEQOUZKRVSISAF-KRWDZBQOSA-N 431.500 3.558 0 40 IHAB O=C(COCc1nc2ccccc2s1)OCc1cc(=O)n2c3c(sc2n1)CCCC3 9960081 WLPLFSLUUDEYCI-UHFFFAOYSA-N 441.534 3.505 0 40 IHAB CCOc1ccccc1NC(=O)CNc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 11102756 XSBIMMDQDUSJDS-UHFFFAOYSA-N 439.537 3.961 0 40 IHAB CC(=O)c1ccc(N2CCN(Cn3nc(C)n(-c4ccccc4)c3=S)CC2)c(F)c1 12514949 NHACPAPNKFHMNH-UHFFFAOYSA-N 425.533 3.833 0 40 IHAB C[C@]1(c2cc(F)ccc2F)NC(=O)N(C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1=O 12756157 QSULWKVZZNHWJU-IVCQMTBJSA-N 449.457 3.901 0 40 IHAB CC(=O)Nc1ccc(NC(=O)CSc2ccccc2C(=O)NCC(=O)C(C)(C)C)cc1 12779117 JSPAGURPVIBXLM-UHFFFAOYSA-N 441.553 3.721 0 40 IHAB Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cccc4cc(C)cnc34)CC2)cc1 12847948 BEVWUFWVGBRCMY-UHFFFAOYSA-N 437.565 3.569 0 40 IHAB CC1(C)Oc2ccc(C(=O)NC3CCCCC3)cc2N(CC(=O)Nc2ccccc2)C1=O 12875331 MERBKVKYWCJAJG-UHFFFAOYSA-N 435.524 3.892 0 40 IHAB CN(Cc1ccc(Cl)cc1)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12920440 BUZXJVOTTJUOCA-UHFFFAOYSA-N 447.000 3.888 0 40 IHAB CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc4c(s3)CCC4)CC2)cc1 12926096 DFHSNWSLENNRGR-UHFFFAOYSA-N 433.599 3.795 0 40 IHAB Cc1ccc2c(c1)C(=O)N(CCCC(=O)NCc1ccc(CN3CCCCC3)cc1)C2=O 12997373 OYOXMGWPBOOPRP-UHFFFAOYSA-N 433.552 3.674 0 40 IHAB CC[C@@H](c1nnnn1CCOC)N(Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCCC1 13063994 FWPDNVJHAUCTQT-QFIPXVFZSA-N 438.576 3.755 0 40 IHAB Cc1nc(Cc2nnc(SCC(=O)N3CCC(Cc4ccccc4)CC3)o2)cs1 13120651 GTZGDSQKYAJENF-UHFFFAOYSA-N 428.583 3.999 0 40 IHAB Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2C[C@@H](C)NS(=O)(=O)c1ccc(F)cc1 13227553 GTZUCBBRPBQQBX-CYBMUJFWSA-N 442.434 3.835 0 40 IHAB Cc1ccc(-c2nnc(-c3ccc(C(=O)N4Cc5ccccc5C[C@H]4C(N)=O)cc3)o2)cc1 14121235 LIMNWBUHKVEAKO-QFIPXVFZSA-N 438.487 3.764 0 40 IHAB CN(CC(=O)N[C@@H]1CCSc2ccc(Cl)cc21)S(=O)(=O)c1ccc(Cl)cc1 14198477 UICOFUVHAFJUHP-MRXNPFEDSA-N 445.393 3.967 0 40 IHAB COc1ccc(-c2noc([C@@H]3Cc4[nH]cnc4CN3C(=O)Nc3cccc(F)c3)n2)cc1 15675989 QWXVHCNHMGTCCZ-IBGZPJMESA-N 434.431 3.939 0 40 IHAB biogenic,in-vitro C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)C1=O 15843050 QWXGGBIXPWTEPU-SNVBAGLBSA-N 446.834 3.924 0 40 IHAB O=C(CC1c2ccccc2-c2ccccc21)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 16524077 BVEQEQNXKKOTQO-UHFFFAOYSA-N 448.544 3.849 0 40 IHAB COc1ccc2c(c1)O[C@]1(CCCN(C(=O)C3(c4ccccc4)CC3)C1)CN(C(C)=O)C2 19019634 PMZLDZMQLZTEKZ-VWLOTQADSA-N 434.536 3.529 0 40 IHAB CC(C)(C(=O)N1CCNC(=O)[C@@H](Cc2ccccc2-c2ccncc2)C1)c1ccc(F)cc1 19085047 AEOANLNYNVVXBJ-NRFANRHFSA-N 445.538 3.983 0 40 IHAB COc1cccc(CN2CCC[C@@H]2c2nc(N(C)C)ncc2-c2ccc(C(N)=O)cc2)c1 19690426 HCAATSBZJVIOPH-JOCHJYFZSA-N 431.540 3.654 0 40 IHAB CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@@H]2CCCN(CCc3ccccc3)C2)n1 19694677 HTXJXUUZVBPTHA-JOCHJYFZSA-N 429.568 3.731 0 40 IHAB CCCCCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1OC 20009871 GDYPENSDTNDVDJ-GOSISDBHSA-N 438.977 3.545 0 40 IHAB Cn1ccnc1[C@@H](NC(=O)CSc1nc(-c2ccc(Cl)cc2)n[nH]1)c1ccccc1 21444650 DRAMNMIHJQFVRA-SFHVURJKSA-N 438.944 3.857 0 40 IHAB COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)CN2CCOCC2)cc1 21822377 AMEJXDXQSOKLNH-RUZDIDTESA-N 429.520 3.858 0 40 IHAB Cc1cccc(-n2ccnc2SCC(=O)Nc2ccccc2S(=O)(=O)C(F)F)c1 22068603 UGVZNOPFYBLZNB-UHFFFAOYSA-N 437.493 3.908 0 40 IHAB O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)NCc1ccc(F)cc1 22428475 ZNTDEEPOXGDLOK-UHFFFAOYSA-N 432.904 3.991 0 40 IHAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1C 22536394 VHOCSZFHDPCEJA-LJQANCHMSA-N 432.586 3.817 0 40 IHAB O=S(=O)(NC[C@H](c1ccccc1)N1CCN(Cc2ccccc2)CC1)c1ccccc1 22920404 XOFZUTNEDQBOSF-RUZDIDTESA-N 435.593 3.524 0 40 IHAB O=C(Nc1ccc(F)c(F)c1)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 24610700 DMNOLRXJJOFBFN-UHFFFAOYSA-N 428.888 3.799 0 40 IHAB CCCNC(=O)c1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 27396346 HVNAVVIRDUJFJO-UHFFFAOYSA-N 437.521 3.880 0 40 IHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N(Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 28228504 LQBQJARPEVBOQR-YLJYHZDGSA-N 439.936 3.852 0 40 IHAB COc1cccc(-c2nc(C(=O)N3CCN(C)c4nc5ccccc5nc43)cs2)c1OC 29651736 FQSAOIVLMVQVOQ-UHFFFAOYSA-N 447.520 3.867 0 40 IHAB Cc1cc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)ccc1Br 30680189 RAIKMPWWURHXLE-HNNXBMFYSA-N 437.359 3.797 0 40 IHAB O=c1ccc2cc(S(=O)(=O)N3CCCc4cc(OC(F)(F)F)ccc43)ccc2o1 32598392 PWMJGZSWVZEEKL-UHFFFAOYSA-N 425.384 3.833 0 40 IHAB O=C(OCc1nnc(-c2ccccc2)o1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCC1 32854482 YHWWSRQBTNEXIH-UHFFFAOYSA-N 432.885 3.830 0 40 IHAB COC(=O)c1ccccc1S(=O)(=O)Nc1ccccc1NC(=O)Nc1ccccc1 32899952 FFUPMTFAJGHOLJ-UHFFFAOYSA-N 425.466 3.918 0 40 IHAB C[C@@H](OC(=O)[C@@H]1CCCN(c2ccc(Cl)nn2)C1)C(=O)Nc1ccc(F)cc1Cl 32913717 NGCIYIZNTYPTLE-VXGBXAGGSA-N 441.290 3.709 0 40 IHAB COc1ccc(CNC(=O)N2CCC[C@H](c3nnc(-c4ccc5c(c4)OCO5)o3)C2)cc1 35596983 CWSNJIYJYRBOFH-KRWDZBQOSA-N 436.468 3.563 0 40 IHAB Cc1ccc2c(=O)c(C(=O)N3CCCC3)cn(CC(=O)Nc3cc(Cl)ccc3C)c2n1 49002215 WEKGQLQBWKRMGE-UHFFFAOYSA-N 438.915 3.541 0 40 IHAB Cc1nnc2ccc(S(=O)(=O)N(Cc3ccccc3F)c3ccc(F)c(F)c3)cn12 49408582 YEJOCNABOVJIDU-UHFFFAOYSA-N 432.427 3.851 0 40 IHAB Cc1ccc(N2CN(CC(=O)Nc3ccc(C)c(F)c3)S(=O)(=O)c3cccnc32)cc1 49411449 MTFLOBLXABUKLX-UHFFFAOYSA-N 440.500 3.576 0 40 IHAB COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCN(c2cccc(C)c2)[C@@H](C)C1 57058596 GKAJONKWQXICNC-SFHVURJKSA-N 434.540 3.721 0 40 IHAB CCc1ccc([C@H]2NC(=O)NC(CN3CC=C(c4ccccc4)CC3)=C2C(=O)OC)cc1 57415187 TZFSFXREHJYMQG-XMMPIXPASA-N 431.536 3.819 0 40 IHAB COc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(OC)c(OC)c3)no2)cc1 57487139 FEYCDQJVODSFSB-UHFFFAOYSA-N 434.452 3.870 0 40 IHAB COc1ccc(C)cc1NC(=O)Cn1c(=O)n(-c2cc(C)cc(C)c2)c(=O)c2sccc21 57492328 NSYXYUZYHBMDKS-UHFFFAOYSA-N 449.532 3.786 0 40 IHAB CCOc1ccc(NC(=O)Cn2c(=O)n(-c3ccc(C)cc3C)c(=O)c3sccc32)cc1 57492822 RYUOTPVJZAXIEO-UHFFFAOYSA-N 449.532 3.868 0 40 IHAB CCc1ccc(NC(=O)Cn2c(=O)n(-c3cc(F)cc(F)c3)c(=O)c3sccc32)cc1 57494152 GAGXWFQYLFSLLA-UHFFFAOYSA-N 441.459 3.693 0 40 IHAB CC(=O)Nc1ccc2c(COC(=O)c3ccccc3OC[C@H]3CCCO3)cc(=O)oc2c1 57722478 OJGDICIAWFAIPB-GOSISDBHSA-N 437.448 3.666 0 40 IHAB COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)c1cc(-c2ccccc2)on1 58175688 LZQNWLJTBHLOAE-UHFFFAOYSA-N 426.372 3.896 0 40 IHAB CC(C)Oc1cc(Br)ccc1C(=O)Nc1ccc(NS(C)(=O)=O)cc1 60030128 LCHDTZLTVSRDTI-UHFFFAOYSA-N 427.320 3.860 0 40 IHAB COc1ccccc1OCCN1C(=O)[C@@](O)(CC(=O)c2ccccc2OC)c2ccccc21 68713428 FLWYHEOTALGMIU-AREMUKBSSA-N 447.487 3.590 0 40 IHAB Cn1cnc(S(=O)(=O)N2CCC[C@@H](c3cccc(Cc4ccccc4Cl)n3)C2)c1 72350354 IQOCJHVUXKYBKP-QGZVFWFLSA-N 430.961 3.628 0 40 IHAB CCc1nnc(Nc2cccc(C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)n2)s1 72376145 JBKUMHHJRBMJMQ-UHFFFAOYSA-N 447.561 3.947 0 40 IHAB COc1cc(CN2CCN(Cc3c(C4CC4)[nH]c4ncccc34)CC2)cc(OC)c1OC 72393361 YSJZHTVXHUHTNW-UHFFFAOYSA-N 436.556 3.784 0 40 IHAB O=C(Nc1nc2c(s1)CN(C(=O)c1cc(-c3ccco3)on1)CC2)c1cccs1 77192090 SJOOSNLPYGHRQV-UHFFFAOYSA-N 426.479 3.903 0 40 IHAB O=C(Nc1cc2c(cc1Br)OCCO2)C(=O)N[C@H]1CCSc2ccccc21 84579002 GNUPXYDHYNIPBF-ZDUSSCGKSA-N 449.326 3.512 0 40 IHAB CCOc1cc(CN(C)CCNC(=O)N(C)C)ccc1OCCOc1ccc(C)cc1 95997201 FPCILETYWSTIHY-UHFFFAOYSA-N 429.561 3.555 0 40 IHAB COc1cccc(NC(=O)c2cn(-c3nc(CNCc4ccco4)c4ccccn34)cn2)c1 96267090 ZSZJKMDHTGFVAQ-UHFFFAOYSA-N 442.479 3.664 0 40 IHAB COc1ccc(CC[C@H](C)NC(=O)Cc2cc3c(cc2Br)OCCO3)cc1 97160120 UCNHHTAGECOVNY-AWEZNQCLSA-N 434.330 3.909 0 40 IHAB CN(Cc1nc(-c2cccc(Br)c2)no1)S(=O)(=O)Cc1ccccc1F 98086198 VFEWDZDUHUMDMF-UHFFFAOYSA-N 440.294 3.600 0 40 IHAB COc1cc([C@@H]2[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]3ON2c2ccccc2)ccc1O 101025969 UELMKLYKBHWQJF-ZLNRFVROSA-N 430.460 3.760 0 40 IHAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1CC(=O)N(CCc1ccccc1)c1nc2ccccc2s1 101096821 FEOUEXFRUUPYKT-KDURUIRLSA-N 445.544 3.823 0 40 IHAB O=C(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)OCCN1C(=O)c2ccccc2C1=O 102264708 JHKDSRYKZWUQGB-ZNAOMFPMSA-N 446.341 3.950 0 40 IHAB CCn1c(S)nc2cc(C(=O)NC3(c4ccc(Br)cc4)CC3)ccc2c1=O 103469604 UJMHYEWLVBJGCV-UHFFFAOYSA-N 444.354 3.887 0 40 IHAB Cc1nn(C)c(C)c1C(=O)C(=O)N(Cc1ccc2c(c1)OCO2)[C@@H]1CCC[C@H](C)[C@H]1C 107346440 OIEOGNFCVSHFHM-QMTMVMCOSA-N 425.529 3.802 0 40 IHAB COC(=O)c1cn(C(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)c2ccccc12 222601464 WOADAUKZNVPCFE-UHFFFAOYSA-N 434.473 3.917 0 40 IHAB C[C@H](NC(=O)c1ccc(CS(=O)(=O)N2CCCCC2)cc1)c1ccc2c(c1)CCC2 223232140 CUGXPHZLTZUUPS-SFHVURJKSA-N 426.582 3.982 0 40 IHAB Cc1ccc(-c2noc(CN(C)S(=O)(=O)Cc3cccc(Br)c3)n2)cc1 223656519 FJEAQIIGZNKXJF-UHFFFAOYSA-N 436.331 3.769 0 40 IHAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)cc1 224113302 OIKHSQPXJOMMIZ-DEOSSOPVSA-N 438.549 3.530 0 40 IHAB 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CCOc1ccc(NC(=O)Cn2c3ccccc3n3c(=O)cc(-c4ccccn4)nc23)cc1 21663715 AIWPPGJCKYBPOD-UHFFFAOYSA-N 439.475 3.749 0 40 IHAB CC[C@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O 22102847 ZVVCGFNPWQUFIO-WWMOSFEBSA-N 443.544 3.571 0 40 IHAB COc1cccc(OCc2nnc(SCC(=O)O[C@@H]3C[C@@H](C)CC[C@@H]3C(C)C)n2N)c1 22282757 LVBDFRAGZDWISB-KFKAGJAMSA-N 448.589 3.676 0 40 IHAB CC(C)Oc1ccc(N(CC(=O)NCCCc2ccccc2Cl)S(C)(=O)=O)cc1 22400985 BSPOPIVPWVACDQ-UHFFFAOYSA-N 438.977 3.642 0 40 IHAB Cc1nc(SCC(=O)N2CCc3sccc3[C@@H]2c2cccs2)sc1CC(N)=O 22487360 SRFJJCYBXJEXII-GOSISDBHSA-N 449.648 3.869 0 40 IHAB C[C@@H](NC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)c1ccc(F)cc1 22536758 QWDRDLXEOLIHQF-QGZVFWFLSA-N 442.512 3.560 0 40 IHAB O=C(/C=C/c1ccsc1)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 22635788 TUOWDDADBJNZCK-SNAWJCMRSA-N 431.366 3.601 0 40 IHAB Cc1cccc(C)c1NC(=O)CN1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 22915421 IODGFBHEBSPWDW-UHFFFAOYSA-N 439.947 3.763 0 40 IHAB CCOC(=O)c1ccc(NC(=O)Cc2cc(=O)[nH]c(SCc3ccc(F)cc3)n2)cc1 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40 IHAB O=S(=O)(c1ccc2nncn2c1)N(Cc1cc(F)cc(F)c1)c1cc(F)cc(F)c1 49408593 VFJGGNXTCFBRNT-UHFFFAOYSA-N 436.390 3.681 0 40 IHAB Cc1cc2nc(SCC(=O)NCCc3cccs3)n(-c3ccc(F)cc3)c(=O)c2[nH]1 67239403 NHPDUJBCIIBAPL-UHFFFAOYSA-N 442.541 3.674 0 40 IHAB COc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2cccc(OC)c2)cc1 67245094 RPJYSRIRDLEGFH-UHFFFAOYSA-N 432.523 3.843 0 40 IHAB Cn1ccnc1Sc1ccc(Cl)cc1NC(=O)Cc1csc(N2CCCC2=O)n1 71853690 UULKHNXIGKHHIV-UHFFFAOYSA-N 447.973 3.989 0 40 IHAB O=C(CN1CC(c2nc(-c3cccc(C(F)(F)F)c3)no2)C1)Nc1ccc2c(c1)OCO2 77191081 NDQOJDODXYQICT-UHFFFAOYSA-N 446.385 3.522 0 40 IHAB CCCOc1ccc(O[C@H]2CCCC[C@@H]2NC(=O)c2cnc3ccc(C)cn3c2=O)cc1 78814432 GBLOGLAVEUQFBT-VXKWHMMOSA-N 435.524 3.912 0 40 IHAB COc1cc(OC)cc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)c1 89651215 IKXPSYMOHRZVPV-UHFFFAOYSA-N 432.542 3.829 0 40 IHAB CC(C)Cn1ncc2cc(C(=O)N[C@@H](C)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)cnc21 95958252 BCRYTILPTLAKFG-IRXDYDNUSA-N 429.565 3.853 0 40 IHAB COCCN(C)c1nc(C2CCN(C(=O)c3ccccn3)CC2)cc2c1ncn2C(C)C 96100037 ZAYIOSSUHKBOCT-UHFFFAOYSA-N 436.560 3.510 0 40 IHAB Cc1ccccc1NC(=O)N1CCC[C@]2(C(=O)NCC3CC3)CN(c3ccccn3)C[C@@H]2C1 96251435 OROKDWAEJXAVDO-LVXARBLLSA-N 447.583 3.667 0 40 IHAB CCOc1ccc(S(=O)(=O)NCC2(Sc3ccccc3)CCOCC2)cc1F 96331227 LHVDRLSHIQGUQP-UHFFFAOYSA-N 425.547 3.844 0 40 IHAB COc1cccc(OC[C@H]2[C@H]3CC[C@@H](C3)N2C(=O)c2cc(OC)c(OC)c(OC)c2)c1 100112383 JAVAMLPZBFIAOI-KNBMTAEXSA-N 427.497 3.793 0 40 IHAB CN(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)CC[C@H]3CCCO3)CC2)n1 100739138 KINMGXVAHJANLF-HLAWJBBLSA-N 437.588 3.954 0 40 IHAB COc1ccc([C@@H]2C=C(c3ccc(Cl)cc3)Nc3nc(CCCO)nn32)cc1OC 100892491 GESNMWZRUXRAJE-SFHVURJKSA-N 426.904 3.930 0 40 IHAB CCOc1ccccc1CCCNC(=O)[C@@H](CC)N(c1ccc(C)cc1)S(C)(=O)=O 219098786 ACSZDHULIBWRFU-OAQYLSRUSA-N 432.586 3.687 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)N(c2ccc(C)c(C)c2)S(C)(=O)=O)c(C)c1 219122631 ORHSBMFMSZSJFY-NRFANRHFSA-N 446.569 3.972 0 40 IHAB COc1ccc(OC)c(NC(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)c1 222528375 SRVGDDPNOCAMNW-UHFFFAOYSA-N 426.494 3.781 0 40 IHAB Cc1ccc(OC[C@@H](C)NC(=O)CCCN(c2cccc(C)c2C)S(C)(=O)=O)cc1 222637353 QGBXFCRMMWAGCJ-LJQANCHMSA-N 432.586 3.742 0 40 IHAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1ccc(C)cc1 222882866 HOXLUKKHQZAYRV-RUZDIDTESA-N 446.547 3.769 0 40 IHAB CCCC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NCCc1ccc(OC)c(OC)c1 222908075 HDEMMGLWYXSNFK-QGZVFWFLSA-N 430.520 3.719 0 40 IHAB CCOc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)cc1 223280131 RLPIIBPRDLKKFZ-GOTSBHOMSA-N 435.597 3.805 0 40 IHAB CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1cc(C)c(Br)c(C)c1 225203668 POVXJFIPJNOVKG-INIZCTEOSA-N 433.346 3.608 0 40 IHAB CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCCN1C(=O)c2cccc3cccc1c23 225436348 HRIPOCIFLCYHCI-KRWDZBQOSA-N 447.510 3.883 0 40 IHAB CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccc(C)c(C)c1 225460786 QEWCDNAXELIYSJ-INIZCTEOSA-N 433.346 3.608 0 40 IHAB O=C(NCc1cccc(C(F)(F)F)c1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 225475561 SSSXITJNUBKPGX-QGZVFWFLSA-N 446.878 3.828 0 40 IHAB Cc1ccc(CSCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1 225517916 IGFRFAOSJODAQH-OAQYLSRUSA-N 446.638 3.754 0 40 IHAB C[C@@H]1CCCCN1c1cc(Cl)nc(NC(=S)NCc2ccc3c(c2)OCCO3)n1 226016086 RKFSUHLZMNMHFZ-CYBMUJFWSA-N 433.965 3.767 0 40 IHAB Cc1cc(Nc2ccc(F)cn2)cc(C2CCN(CC(=O)Nc3nccs3)CC2)n1 257282532 OUDGNFQGRMVRHJ-UHFFFAOYSA-N 426.521 3.942 0 40 IHAB O=C(C[C@H]1CCCN(C(=O)Cn2ccc3ccccc32)C1)NCc1ccc2c(c1)CCCO2 257344135 ZVXGUULQDPAKPC-OAQYLSRUSA-N 445.563 3.911 0 40 IHAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 408598287 YUFPKCVDTGHJCL-GBXCKJPGSA-N 436.577 3.714 0 40 IHAB COc1cc(NS(=O)(=O)c2ccc(C)c(C(=O)NC(C)C)c2)c(OC)cc1Cl 408601710 GPJRKILXRCBNEO-UHFFFAOYSA-N 426.922 3.605 0 40 IHAB COC(=O)c1cccc(NC(=O)c2cccc(NC(=O)c3c(OC)cccc3OC)c2)c1 408676935 DNELQZLITNEIEZ-UHFFFAOYSA-N 434.448 3.995 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCCOC(C)C)c2cc(C)ccc2C)cc1 409271514 LVMBQZQEXUPJPY-UHFFFAOYSA-N 432.586 3.738 0 40 IHAB O=C(NCc1ccc2c(c1)OCO2)N1CCc2[nH]c3c(Br)cccc3c2C1 524731729 IUXQSWMKUUMTKR-UHFFFAOYSA-N 428.286 3.927 0 40 IHAB biogenic O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(C(=O)c2cc(N3CCCC3=O)ccc2Cl)C1 535530944 XHCFNTLSOWOQBR-MRXNPFEDSA-N 444.894 3.642 0 40 IHAB CC(=O)N1CCCN(C2CCOCC2)CCCN(C(=O)CC(C)C)Cc2ccccc21 643581251 HFALQGSVSYCDSF-UHFFFAOYSA-N 429.605 3.689 0 40 IHAB CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(C(=O)Cc3c[nH]c4ncccc34)CC2)C1 1640366692 OWAGEPSQIJVNAN-SFHVURJKSA-N 426.561 3.991 0 40 IHAB O=S(=O)(c1ccc2ncsc2c1)N1CCC[C@@]2(CCCN(Cc3cccnc3)C2)C1 2056223527 QHHQRJYVXJIUPJ-JOCHJYFZSA-N 442.610 3.758 0 40 IHAB C[C@H]1CCc2c(sc3c2c(=O)n(C)c2nnc(SCc4ccc5c(c4)OCO5)n32)C1 986183 HWLPZNWZUMOZNN-NSHDSACASA-N 440.550 3.789 0 40 IHAB Cc1ccc(-n2nnnc2SCC(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1C 1361022 VJURFCWPUIAOKG-UHFFFAOYSA-N 448.508 3.855 0 40 IHAB C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CCC(C(=O)c5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C 2108019 ATJMZTVSABUEJR-TZSFCKRFSA-N 437.580 3.866 0 40 IHAB biogenic COc1ccc(C2=NO[C@H](C(=O)c3ccccc3)[C@]23C(=O)Nc2ccccc23)cc1OC 2114950 PCGRSFBRAKJUFB-ILBGXUMGSA-N 428.444 3.580 0 40 IHAB biogenic CC(C)(C)OC(=O)NCCCCCc1nnc(S(=O)(=O)Cc2cccc(Cl)c2)o1 2213917 AUKZIACRWGRESF-UHFFFAOYSA-N 443.953 3.934 0 40 IHAB CN(C)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(Br)c1 2410218 FTNXQDJBKPYHEB-GOSISDBHSA-N 427.298 3.662 0 40 IHAB Cc1cc(C(F)F)nc(SCC(=O)NCCCn2nc(C)c(Br)c2C)n1 2793612 WWWINNAQFWIZKB-UHFFFAOYSA-N 448.337 3.597 0 40 IHAB O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)Oc1ccc(-c2ccccc2)cc1 3330636 ZJHUYDFIDZCWGC-OVCLIPMQSA-N 449.528 3.993 0 40 IHAB CC(=O)c1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccco2)c1 3372476 VPMVMPXODFPYOW-UHFFFAOYSA-N 433.489 3.971 0 40 IHAB COCCn1c(SCc2ccc(C(=O)OC)o2)nc2sc3c(c2c1=O)CCCC3 3457009 ZFVMPJGQHQLOSZ-UHFFFAOYSA-N 434.539 3.655 0 40 IHAB COc1ccc(/C=C/C(=O)Nc2cc(F)ccc2C)cc1S(=O)(=O)N1CCCCC1 3566288 UFDQOELMGYSBSJ-DHZHZOJOSA-N 432.517 3.969 0 40 IHAB CCCCCn1c(=O)[nH]c2cc(C(=O)NCCCN(CC)c3ccccc3)ccc2c1=O 4766368 XJKQJYUTIGECNE-UHFFFAOYSA-N 436.556 3.526 0 40 IHAB CCOc1ccc(NC(=O)CSc2nnc(COc3ccc(OC)cc3)n2C)cc1 6601147 ZVZPIPSLNGZREF-UHFFFAOYSA-N 428.514 3.532 0 40 IHAB COc1ccc(-c2cc([C@H]3CN4CC[C@H]3C[C@@H]4CNC(=O)c3cccs3)n(C)n2)cc1 8635367 ZOHUPHPYUINWDM-NSHGMRRFSA-N 436.581 3.765 0 40 IHAB biogenic,in-vitro C[C@H](NC(=O)CSc1nnc(-c2ccccc2F)n1N)c1ccc2c(c1)CCCC2 8966401 GEHBNWOOELAFIX-AWEZNQCLSA-N 425.533 3.646 0 40 IHAB Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 9121382 CQTANMYARQZVKT-UHFFFAOYSA-N 441.582 3.654 0 40 IHAB COc1ccc(C)cc1CCNC(=O)c1nn(-c2ccccc2C(F)(F)F)c(C)cc1=O 9218567 QFISVPHTRHWRSF-UHFFFAOYSA-N 445.441 3.849 0 40 IHAB CSc1cccc(NC(=O)CSc2nnc(CC(=O)Nc3ccc(F)cc3)n2C)c1 9263669 WPBIJLOQGLEVEK-UHFFFAOYSA-N 445.545 3.588 0 40 IHAB C[C@H](CCc1ccccc1)N1C(=O)NC(=O)[C@]2(Cc3c(ccc4ccccc34)N(C)C2)C1=O 9429909 KRCJJHLFCUIPFY-DNOBIOAJSA-N 441.531 3.918 0 40 IHAB COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccccc1Br 9584395 OAZDFLPDTRBBOR-GOSISDBHSA-N 440.301 3.977 0 40 IHAB CCOc1ccc2[nH]c(=O)c(CN(CCO)C(=S)Nc3cccc(Cl)c3)cc2c1 9704177 FBKZCOKMLGQHLZ-UHFFFAOYSA-N 431.945 3.772 0 40 IHAB CC(=O)c1sc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)nc1C 9714701 HHZMKISAMQGLKQ-UHFFFAOYSA-N 433.486 3.846 0 40 IHAB O=C(CSc1nnc2ccc(-c3ccc4c(c3)OCO4)nn12)N1CCCc2ccccc21 9829156 YFTKUUGXNYTHFG-UHFFFAOYSA-N 445.504 3.592 0 40 IHAB O=C(CC(c1ccccc1)c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 9956422 KYJWOENDMJUIFG-UHFFFAOYSA-N 434.561 3.742 0 40 IHAB O=C(C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)N1CCC[C@@H]1c1ccccc1 9956959 KFNJLEVZRIKSQP-OAQYLSRUSA-N 434.508 3.729 0 40 IHAB Cc1ccccc1Nc1nc(N)nc(CSc2ncnc3c2cnn3-c2ccccc2)n1 9963681 GSUMNGXYZMJSJU-UHFFFAOYSA-N 441.524 3.927 0 40 IHAB COc1cc(/C=C2\N=C(c3ccccc3)OC2=O)ccc1OC(=O)c1ccc2c(c1)OCO2 10040333 ZYDDJMUWQOEMLE-WQRHYEAKSA-N 443.411 3.988 0 40 IHAB COc1cc2nc(NC(=O)CCCS(=O)(=O)c3ccc(C)cc3)sc2cc1OC 10218620 IXFHNZGWNWIOCW-UHFFFAOYSA-N 434.539 3.815 0 40 IHAB COc1ccc(NC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)c(OC)c1 10327568 GEGWGXFPVOQJCX-UHFFFAOYSA-N 438.505 3.708 0 40 IHAB NC(=O)c1ccc(C(F)(F)F)n(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1=O 10910445 PIVBGTHAYFAWTA-UHFFFAOYSA-N 442.608 3.565 0 40 IHAB CC[C@H](Oc1ccc(C)cc1)C(=O)NC[C@H](C)NC(=O)[C@@H](CC)Oc1ccc(C)cc1 12137360 WWIGNBPJZHTHOD-AJSBUHFISA-N 426.557 3.939 0 40 IHAB COc1ccc(-c2ccc(=O)n(CC3CCN(C(=O)C4CCCCC4)CC3)n2)cc1OC 12142685 CLOGUTREHGSNDO-UHFFFAOYSA-N 439.556 3.746 0 40 IHAB COc1ccc(OC)c([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2C(F)(F)F)c1 12541238 PFMKCNSAXKAJHX-GOSISDBHSA-N 435.402 3.989 0 40 IHAB COc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc([C@@H](C)O)cc3)cc2)cc1 12557111 SRMYGABNNCVRAC-OAHLLOKOSA-N 426.494 3.802 0 40 IHAB COc1ccc(NC(=O)[C@@H](NC(=O)c2ccc(Br)cc2)C(C)C)cc1OC 12773821 ZCMMYPSPWLRTJJ-SFHVURJKSA-N 435.318 3.859 0 40 IHAB O=C(CSc1nnnn1C[C@@H]1CCCO1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 12789430 KGNVUPPQUCVTDI-AZUAARDMSA-N 443.960 3.503 0 40 IHAB Cc1sc2nc(CSc3ccccc3)nc(NC[C@H](O)CN3CCOCC3)c2c1C 12905753 BXCPGAOGMGKLRS-KRWDZBQOSA-N 444.626 3.705 0 40 IHAB Cc1cc(N2CCN(CC(=O)N[C@@H](c3ccc(F)cc3)C(C)C)CC2)nc(C(C)C)n1 13003960 ROGWEFJAEKQAIF-HSZRJFAPSA-N 427.568 3.683 0 40 IHAB NC(=O)[C@@H]1CCCN(CC(=O)N2N=C(c3ccc4ccccc4c3)C[C@@H]2c2ccccc2)C1 13149886 CYEBBBMBHFTKCX-ILBGXUMGSA-N 440.547 3.715 0 40 IHAB CC[C@@H](c1nnnn1C(C)(C)C)N(Cc1cc2cc(C)ccc2[nH]c1=O)C[C@@H]1CCCO1 13494495 SRZFVTQQAKCMTI-FPOVZHCZSA-N 438.576 3.710 0 40 IHAB Cc1cc(NC(=O)COC(=O)c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)no1 13579209 BAHZPKUQSWISRC-UHFFFAOYSA-N 427.844 3.613 0 40 IHAB CC[C@@H](C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N[C@H](C)CCc1ccccc1 13608502 ZOCGGZZQBTWWMG-PNCHPQGNSA-N 436.556 3.707 0 40 IHAB COC(=O)c1ccc(Oc2coc3c4c(ccc3c2=O)OCN(C[C@H]2CCCO2)C4)cc1 13687765 KQZYJTUQDXFFLT-QGZVFWFLSA-N 437.448 3.703 0 40 IHAB COc1ccc(CN(CCN2CCOCC2)C(=O)Nc2ccc(Cl)cc2)cc1OC 13692940 MKBKTMYGTOKXEQ-UHFFFAOYSA-N 433.936 3.724 0 40 IHAB CC[C@@H](C(=O)N1CCC(Cc2ccccc2)CC1)N(c1ccc(F)cc1)S(C)(=O)=O 13715503 VBSYRHQCFVTAFV-QFIPXVFZSA-N 432.561 3.852 0 40 IHAB COc1ccc(OCCN2CCN(C(=O)c3cc(C4CC4)nc4ccccc34)CC2)cc1 14086515 ZPKRFIKXFXICNF-UHFFFAOYSA-N 431.536 3.958 0 40 IHAB O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1-c1ccccc1 14095625 CUNDPUFTRZXXPP-UHFFFAOYSA-N 440.496 3.766 0 40 IHAB COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(OC)c(OC)c2)cc1 15437579 OOWXDIREGSYMII-UHFFFAOYSA-N 442.493 3.766 0 40 IHAB COc1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1 15636605 QFIYTJRIBUTKFK-OKILXGFUSA-N 449.598 3.559 0 40 IHAB COc1ccc(C2=NO[C@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)c2cccs2)c(OC)c1 16021710 JHRHMQMLZZDALR-CVDCTZTESA-N 434.473 3.846 0 40 IHAB COc1ccccc1/C=C/C=c1/sc2nc(-c3ccc(Br)cc3)nn2c1=O 16730806 ZOKKBAUCRVXIMO-MLIFEPNPSA-N 440.322 3.802 0 40 IHAB O=C(Cc1csc(Nc2cccc(Cl)c2)n1)N1CCN(C(=O)c2ccco2)CC1 16850285 NBTUOWFCMRMTTC-UHFFFAOYSA-N 430.917 3.660 0 40 IHAB COc1ccc([C@H](C(=O)Nc2ccc(C(C)C)cc2)N(C)C(=O)c2ccc(=O)[nH]c2)cc1 18254292 MNUQIVBNPSXMPK-HSZRJFAPSA-N 433.508 3.959 0 40 IHAB Cc1ccc(CC(=O)N2CCC[C@H](c3n[nH]cc3-c3ccnc(N4CCCC4)n3)C2)cc1 19209444 LLINJPSTTJGPEM-FQEVSTJZSA-N 430.556 3.724 0 40 IHAB COCC(=O)N[C@@H](c1ccccn1)C1CCN(Cc2cnc(-c3ccccc3C)nc2)CC1 19237546 ROCWPPBSTBOGDN-RUZDIDTESA-N 445.567 3.563 0 40 IHAB NC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(Cc2ccc3c(c2)OCCO3)C1 19333447 ASVCWGDOVRPQCE-MHZLTWQESA-N 443.547 3.830 0 40 IHAB CC(C)N1CCc2nc3cc([C@H]4CCCCN4C(=O)CCc4ccccc4)nn3c(O)c2C1 19448051 QEMWLMDZZUFTEO-HSZRJFAPSA-N 447.583 3.888 0 40 IHAB CCc1noc(C)c1C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1cc(N(C)C)nc(C)n1 19521267 OEOVXJHCJNWSDN-HXUWFJFHSA-N 432.528 3.905 0 40 IHAB COc1ccc(C(=O)NCCNc2nc(-c3ccncc3)cc3ncccc23)cc1OC 19559887 STAZGQHNAGZXDF-UHFFFAOYSA-N 429.480 3.551 0 40 IHAB COc1cccc(C(=O)N2CCNC(=O)[C@H](Cc3ccc(-c4ccccc4F)cc3)C2)c1 19564624 XTEHIWJBLYTNQQ-OAQYLSRUSA-N 432.495 3.932 0 40 IHAB COc1ccc(-c2cc(C)nc(C3CCN(S(=O)(=O)c4cnn(C)c4C)CC3)c2)cc1 19691088 FWDYFDOUSFWAFV-UHFFFAOYSA-N 440.569 3.676 0 40 IHAB COc1ccc2c(c1)C=C(CN1CCO[C@@H](c3ccc(-c4ccc(N)nc4)cn3)C1)CO2 19692464 DXSIFXYTOWFSDW-XMMPIXPASA-N 430.508 3.584 0 40 IHAB CC(=O)N1CCO[C@H](c2c(C(=O)NCCOc3ccc(C)cc3)sc3ccccc23)C1 19696720 JNSUKYAOIHCLJA-FQEVSTJZSA-N 438.549 3.938 0 40 IHAB CN(C)C(=O)c1sc2ccccc2c1[C@H]1CN(C(=O)c2cc(C3CC3)on2)CCO1 19696756 XYPWDBGQQRNZJD-QGZVFWFLSA-N 425.510 3.682 0 40 IHAB Cc1nc([C@H]2CCCCN2C(=O)c2ccccn2)nc2c1CCCN2CCc1ccccn1 19706781 VWSLDVBZUCAFJA-HSZRJFAPSA-N 442.567 3.938 0 40 IHAB COc1ccccc1CCC(=O)N1CC[C@H](c2cc(C(=O)N(C)C)c3ccccc3n2)C1 19761801 BRPHUIVEWFNUGG-IBGZPJMESA-N 431.536 3.894 0 40 IHAB Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCc2ccc(F)cc2)cc1 20010448 CUBMYRFQMGUDMJ-UHFFFAOYSA-N 440.540 3.684 0 40 IHAB Cc1ccc(CN(CC(=O)NCc2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 20011512 LJFQCMBJVVJELS-UHFFFAOYSA-N 440.540 3.950 0 40 IHAB COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccc(CN2CCOCC2)cc1 20228807 VYFSOVUOSDBPPG-UHFFFAOYSA-N 435.549 3.807 0 40 IHAB Cc1cccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)NCc3ccccc3)CC2=O)c1 20373065 KQLYGWHNEZWANG-FQEVSTJZSA-N 427.504 3.917 0 40 IHAB Cc1ccc(C(C)C)c(OCc2nnc(S[C@@H](C)C(=O)N3CCCCCC3)n2N)c1 21605470 MGWRMQQXWJLWLV-KRWDZBQOSA-N 431.606 3.886 0 40 IHAB Cc1ccc(OC[C@@H](C)NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1 22334955 TZVQUHSYUXPGHX-CQSZACIVSA-N 445.368 3.652 0 40 IHAB COC(=O)c1cccc(NC(=O)CN(c2ccccc2F)S(=O)(=O)c2cccs2)c1 22395606 NGKPOBVTXNTCAB-UHFFFAOYSA-N 448.497 3.508 0 40 IHAB Cc1cccc(C)c1NC(=O)CN1CCN([C@H](C(=O)N2CCCCC2)c2ccccc2)CC1 23249305 RAADAVKEVZYZCF-SANMLTNESA-N 448.611 3.613 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1C(=O)c1cccc(C(F)(F)F)c1 25145279 PFYHGEFWCJIJLH-HXUWFJFHSA-N 442.441 3.821 0 40 IHAB CC(C)n1nccc1NC(=O)COC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 32719345 KWAPPRZYFXEIPJ-HXUWFJFHSA-N 433.464 3.714 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc1 32888536 AMBMLOIRAVGZGA-XMMPIXPASA-N 449.576 3.945 0 40 IHAB COc1ccc(C(=O)Nc2cccc(OCc3cc(=O)n4ccccc4n3)c2)cc1OC 33268520 PPBXWFMZWTYHCR-UHFFFAOYSA-N 431.448 3.543 0 40 IHAB Cc1ccc2cc(CN(C[C@H]3CCCO3)C(=O)Nc3ccc(F)cc3)c3nnnn3c2c1 35290974 KUCXZIOROMNIRH-HXUWFJFHSA-N 434.475 3.938 0 40 IHAB CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)cc1 36700223 JCXGPARYNPHMNX-UHFFFAOYSA-N 445.522 3.535 0 40 IHAB CN1CCN(C(=O)c2nn3c(c2Cl)N[C@H](c2ccccc2)C[C@@H]3C(F)(F)F)CC1 38180761 HWTPIFMCSOYGEI-UONOGXRCSA-N 427.858 3.584 0 40 IHAB CCCN(C(=O)c1ccccc1-c1ccc(Cn2cccn2)cc1)[C@H]1CCS(=O)(=O)C1 40050860 GKFODMLHNWIEDT-NRFANRHFSA-N 437.565 3.638 0 40 IHAB COc1cccc(CNC(=O)c2nnn(-c3ccc(SC)cc3)c2-c2ccccn2)c1 49406939 KKSAWRAQRBUDMX-UHFFFAOYSA-N 431.521 3.990 0 40 IHAB CCN(CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)Cc1nc2ccccc2c(=O)[nH]1 57350913 OUNIALOLANTTIS-UHFFFAOYSA-N 448.523 3.815 0 40 IHAB Cn1c(SCC(=O)Nc2cccc(CN3CCSCC3)c2)nnc1-c1cccs1 58438706 ZDQJHNUIOKTLPR-UHFFFAOYSA-N 445.639 3.823 0 40 IHAB CC(C)N1CCN(CC2CC2)C[C@@H]1c1nnc2ccc(C(=O)Nc3ccccc3F)cn12 96156811 OQOUSAQNNBQXRQ-OAQYLSRUSA-N 436.535 3.598 0 40 IHAB COc1cc(C(=O)Nc2ccc3c(c2)C(=O)N(C)c2cccnc2S3)cc2c1OCCO2 96232338 BLTSVFVLOTYLOP-UHFFFAOYSA-N 449.488 3.855 0 40 IHAB O=S(=O)(c1cccc(F)c1)N1Cc2ccccc2C2(CCN(C3CCOCC3)CC2)C1 96242475 GDBQCTBSAJPTAV-UHFFFAOYSA-N 444.572 3.543 0 40 IHAB CC(=O)N(c1ccccc1)c1nc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)cs1 96663501 RORROMSHZFYSCQ-XNTDXEJSSA-N 447.563 3.894 0 40 IHAB COc1ccc(/C=C2/C[C@@H](C)Cc3c2nc2ccccc2c3C(=O)N2CCNC(=O)C2)cc1 98003221 TZHVGXBYOKUJRA-JFPYRBRCSA-N 441.531 3.938 0 40 IHAB O=C(COC(=O)C1C[C@@H]2CCC[C@@H](C1)C2=O)/N=c1/sccn1Cc1ccccc1Cl 103137879 NSTRRJBCKKYSIL-PAUVNJBASA-N 446.956 3.617 0 40 IHAB CCOc1cc(C(=O)NC[C@H]2CCCN(c3nccs3)C2)cc(OCC)c1OCC 206834933 XKFFIQWBSVLOAV-MRXNPFEDSA-N 433.574 3.986 0 40 IHAB COc1ccc(CCCNC(=O)CN2c3ccccc3-c3ccccc3S2(=O)=O)cc1 219154108 RNSVKLNNDMUKJZ-UHFFFAOYSA-N 436.533 3.620 0 40 IHAB Cc1ccccc1OC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)N2CCC(C)CC2)c1 220003070 LIPKJUZVZPFZKH-LJQANCHMSA-N 430.570 3.613 0 40 IHAB CC[C@H](NC(=O)CCCN(c1ccccc1C)S(C)(=O)=O)c1ccc(OC)c(OC)c1 222563626 HSCOLJWCPPHLQA-IBGZPJMESA-N 448.585 3.826 0 40 IHAB COc1ccccc1N(CCCC(=O)NCc1ccc2ccccc2c1)S(C)(=O)=O 222810604 IPPPVUGKDSFXCY-UHFFFAOYSA-N 426.538 3.711 0 40 IHAB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(OCC)c(OCC)c1 223539541 OOQRWDMJNNKMAT-IBGZPJMESA-N 426.557 3.970 0 40 IHAB CCc1ccc(OCC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)c(Br)c1 223861237 FSQBFLYQNIONBK-CYBMUJFWSA-N 440.359 3.671 0 40 IHAB CC[C@@H](NC(=O)CN(c1cccc(OC(C)C)c1)S(C)(=O)=O)c1ccc(OC)c(C)c1 224036049 LVQJKTQOASSRHC-OAQYLSRUSA-N 448.585 3.824 0 40 IHAB CCN(c1ccc(C(=O)NCCN(C)c2ccccc2)cc1)S(=O)(=O)c1ccccc1 224365747 ZKYPVCJDSGSXSR-UHFFFAOYSA-N 437.565 3.768 0 40 IHAB COc1ccc(-c2noc(C(=O)N3CCc4cc(OC)c(OC)cc4C3)c2[C@H](C)O)cc1 225430619 BORDQFJNBLRSCH-AWEZNQCLSA-N 438.480 3.619 0 40 IHAB biogenic,in-vitro O=C(Nc1nnc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)s1)c1ccccc1 225699019 IYTIZQIVLOCILJ-UHFFFAOYSA-N 428.417 3.610 0 40 IHAB COc1cccc(N2[C@H]3CCCN(C(=O)c4ccccc4OCC(=O)O)[C@H]3CC2(C)C)c1 257318579 VOOCSZAWXXXZIN-SFTDATJTSA-N 438.524 3.821 0 40 IHAB O=C(CCOc1cccc(F)c1)NC[C@H]1CC[C@H](c2nnc(-c3cnccn3)o2)CC1 257319015 VQIOVHREADOLGV-WKILWMFISA-N 425.464 3.525 0 40 IHAB CC(C)(Cc1ccccc1)NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1 260770394 SAJAFULYUDXAHG-OAQYLSRUSA-N 444.597 3.649 0 40 IHAB COCCn1cnc2c1C1(CCN(Cc3ccc4c(c3)OCO4)CC1)Oc1ccccc1-2 306123383 ALXGJSFYTAVTSJ-UHFFFAOYSA-N 433.508 3.809 0 40 IHAB COc1ccc(OC)c(NC(=O)[C@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c1 408559153 UMHDYUGTQNDAIK-NSHDSACASA-N 447.340 3.804 0 40 IHAB Cc1cc(-c2c3c(nc4c2c(=O)n(C)c(=O)n4C)-c2ccccc2[C@@H]3O)c(C)c(C)c1C 408980188 FBKCMKZVSJNEHU-QHCPKHFHSA-N 427.504 3.595 0 40 IHAB COc1cccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3cccc(C)c3)[C@@H]2c2ccc(Cl)cc2)c1 409054368 JFWZJHMWMWGZSE-WAUWHALJSA-O 448.930 3.673 0 40 IHAB CCOc1c(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)cccc1OC 409164246 FMFPASXSCDTNCX-LDADJPATSA-N 442.493 3.778 0 40 IHAB CCC[C@@]1(CCN2C(=O)[C@H](C(N)=O)[C@H]3C[C@@]2(C)Oc2ccccc23)CCOC(C)(C)C1 524731083 JSBRXIVDTSTYFJ-GCAWGGIMSA-N 428.573 3.978 0 40 IHAB biogenic COc1ccc2c(c1)c(-c1csc(NC(=O)COc3coc(C)cc3=O)n1)c(C)n2C 524733954 ICYHFJJCXMJHEK-UHFFFAOYSA-N 439.493 3.898 0 40 IHAB Cc1ccc(-c2noc(CCC(=O)Nc3ccc(N4C[C@H](C)O[C@@H](C)C4)nc3)n2)cc1F 526031343 WJDNSDYMHJHQRW-HOTGVXAUSA-N 439.491 3.764 0 40 IHAB C[C@@H]1C(=O)Nc2cc(C(=O)N3CCC4(CCN(Cc5ccccc5)C4)CC3)ccc2N1C 536507570 DBTMCRTVSVENAR-LJQANCHMSA-N 432.568 3.592 0 40 IHAB C[C@H]1Oc2ccc(C(=O)C3CCN(C(=O)[C@@H]4CCC(=O)c5ccccc54)CC3)cc2NC1=O 559563017 DKNJLIIUNNRRDN-FOIQADDNSA-N 446.503 3.588 0 40 IHAB CC(C)(NC(=O)c1ccccc1F)C(=O)N1CCOC[C@H](Cc2cccc3cccnc23)C1 585262101 ZYHRXXXRQNKJDU-GOSISDBHSA-N 449.526 3.600 0 40 IHAB C[C@]1(C(=O)N2CCO[C@]3(C2)C(=O)N(Cc2cccnc2)C[C@@H]3c2ccccc2)CC=CCC1 2055793543 RLGHYGFPCGKSTK-NPAAKHOSSA-N 445.563 3.552 0 40 IHAB O=S(=O)(c1ccc2ncsc2c1)N1CCC[C@]2(CCCN(Cc3ccccn3)C2)C1 2056223383 IRTJTYIIXYVBRO-QFIPXVFZSA-N 442.610 3.758 0 40 IHAB CCN(CC)S(=O)(=O)c1cccc(C(=O)Oc2cccc(NC(=O)c3ccco3)c2)c1 866140 MXUXHDQPCXOCKP-UHFFFAOYSA-N 442.493 3.782 0 40 IHAB CC1=C(C(N)=O)[C@H](c2cccc(Br)c2)N2NC(c3ccccc3Cl)=NC2=N1 940696 PBFONSBVHCJMIJ-INIZCTEOSA-N 444.720 3.540 0 40 IHAB O=C(Cn1nnc(-c2ccccc2NC(=O)c2ccccc2Cl)n1)Nc1ccccc1 1361766 JDJWZMCQXZFEBF-UHFFFAOYSA-N 432.871 3.885 0 40 IHAB COc1cc2c(cc1OC)[C@H](c1cc(Br)c(O)c(OC)c1)[C@H]1C(=O)OC[C@H]1C2 1612496 YHYWCWAKWGMRSK-HQOQDVMHSA-N 449.297 3.658 0 40 IHAB COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2cccc(Br)c2)N1C(C)=O 2150059 VXHCBMUTXVNYLG-QUCCMNQESA-N 427.298 3.966 0 40 IHAB biogenic Cc1nn(-c2ccccc2)c2sc(C(=O)OCC(=O)Nc3ccc4c(c3)OCO4)cc12 3214870 XEHCAGUVDPHXQI-UHFFFAOYSA-N 435.461 3.920 0 40 IHAB C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)OCO3)c1 3217046 XBFHKAIXPRZLNC-HNNXBMFYSA-N 436.489 3.808 0 40 IHAB CSCC[C@H](NC(=O)C1CCC(C)CC1)C(=O)NCCCN1C[C@@H](C)C[C@@H](C)C1 4872186 DYEZODKJFRWBRH-NYXFWSSLSA-N 425.683 3.535 0 40 IHAB CCCCc1nn2c(=O)cc(COC(=O)c3ccccc3NC(=O)C(C)(C)C)nc2s1 8606950 XVSGCRMQPYHQFA-UHFFFAOYSA-N 442.541 3.835 0 40 IHAB COc1ccc(NC(=O)CSc2cccc3cccc(Cl)c23)cc1S(N)(=O)=O 9318006 RMHDNXOHFAHTMI-UHFFFAOYSA-N 436.942 3.880 0 40 IHAB COCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1cccc(Br)c1 9409015 AJNUDZYWVLHXSV-LJQANCHMSA-N 428.286 3.736 0 40 IHAB COc1ccc(N(CCOc2ccccc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 9509461 KQWGWYWSPVRZRJ-UHFFFAOYSA-N 441.505 3.741 0 40 IHAB Cc1c(NC(=O)COC(=O)Cc2ccc(Cl)c(Cl)c2)c(=O)n(-c2ccccc2)n1C 9584515 MQTZXIXGHLEWNW-UHFFFAOYSA-N 448.306 3.516 0 40 IHAB O=C(c1cc(C(=O)NCc2ccccn2)c2nc3ccccc3n2c1)c1cc(F)ccc1O 9670061 JQNDLZAMWJZLJI-UHFFFAOYSA-N 440.434 3.888 0 40 IHAB CCOC(=O)Cc1csc(NC(=O)CSc2nc(C)nc3sc(C)c(C)c23)n1 9788689 ODNPLJAFLYPXAB-UHFFFAOYSA-N 436.584 3.909 0 40 IHAB COC(=O)c1ccc(CNC(=O)[C@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)cc1 10022366 RHGOMZAPAOXZHN-GOSISDBHSA-N 437.323 3.851 0 40 IHAB C[C@H](OC(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 10239837 UGQKBWLNPABROJ-JTQLQIEISA-N 427.787 3.897 0 40 IHAB COc1ccccc1N(CCC(=O)Nc1ncc(C)s1)S(=O)(=O)c1ccc(C)cc1 10628570 BAEDXZCEFRCIEC-UHFFFAOYSA-N 445.566 3.993 0 40 IHAB Cc1ccc(-c2csc3ncn(CC(=O)NC4CC(C)(C)NC(C)(C)C4)c(=O)c23)cc1 10814121 BGFWXDHTBNSFHP-UHFFFAOYSA-N 438.597 3.859 0 40 IHAB COc1ccc(-c2ccc(=O)n(CC3CCN(C(=O)c4cccs4)CC3)n2)cc1OC 12155990 QNMWMCXMRAEGBL-UHFFFAOYSA-N 439.537 3.541 0 40 IHAB O=C(C[C@@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21)Nc1ccc(F)c(F)c1 12233159 JBDNWASWSTYBGZ-CQSZACIVSA-N 439.447 3.536 0 40 IHAB Cc1cccc(C)c1O[C@@H](C)C(=O)N[C@H](C)CNC(=O)[C@@H](C)Oc1c(C)cccc1C 12404073 GZYXHVUWYJISGZ-NJYVYQBISA-N 426.557 3.776 0 40 IHAB CCN1C[C@@H](CN(C)CC(=O)Nc2ccc(C)cc2Br)Oc2ccccc21 12527330 LKMDQYKAOLFENZ-MRXNPFEDSA-N 432.362 3.915 0 40 IHAB O=C(NCCc1ccccc1)[C@@H](c1ccc(Cl)cc1)N(C(=O)c1csnn1)C1CC1 12873035 UJIUPICWARMATB-HXUWFJFHSA-N 440.956 3.896 0 40 IHAB O=C(CCc1nc(-c2ccsc2)no1)Nc1cccc(I)c1 12894953 GYVVLIZIQYPLCO-UHFFFAOYSA-N 425.251 3.974 0 40 IHAB O=C(COc1c(CO)cc(F)cc1CO)N[C@H](c1ccccc1)c1ccc(Cl)cc1 12897909 HDVZICSSTREVPR-JOCHJYFZSA-N 429.875 3.748 0 40 IHAB COc1ccc(Br)c(C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C(C)C)c1 13028804 OWVVFPCMDMEBOA-UHFFFAOYSA-N 430.302 3.745 0 40 IHAB Cc1ccc([C@@]23CCC(=O)N2[C@@H](C(=O)Nc2ccc4c(C)cc(=O)oc4c2)CS3)cc1 13138733 WCBBGLPOSVFRTK-DVECYGJZSA-N 434.517 3.939 0 40 IHAB CCc1ccc(N(CC(=O)NC(C)(C)CC)C(=O)CCC(=O)Nc2nccs2)cc1 13151116 WNVVBNHKBSXZSK-UHFFFAOYSA-N 430.574 3.762 0 40 IHAB COc1ccccc1[C@H]1OCC(C)(C)n2c(-c3ccccc3)c3c(=O)n(C)c(=O)n(C)c3c21 13574693 RZSXSEIXFVIEHE-HSZRJFAPSA-N 445.519 3.569 0 40 IHAB CC[C@H](C(=O)Nc1cc(C(=O)OC)ccc1C)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714536 PAYXVQCWQFSIGM-GOSISDBHSA-N 438.933 3.618 0 40 IHAB CCN1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)CC1 14155463 YHPDEBKRKMNPSI-UHFFFAOYSA-N 435.977 3.535 0 40 IHAB CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(N2C[C@H](C)C[C@@H](C)C2)s1 15943692 OVBCCBRTWGXTLH-HUUCEWRRSA-N 442.628 3.560 0 40 IHAB O=C(c1ccco1)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 15990064 ZLODGQSEXIHXBD-YSFYHYPLSA-N 428.419 3.817 0 40 IHAB Cc1ccc(CN2CCC[C@@H]2c2c(-c3ccnc(N4CCCC4)n3)cnn2CCO)cc1C 19213973 TYVZSVMCQIQEAD-XMMPIXPASA-N 446.599 3.887 0 40 IHAB CCn1c(CN2CCC[C@H]([C@@H](NC(=O)[C@@H]3CCCO3)c3ccccn3)C2)nc2ccccc21 19524303 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40 IHAB CCN(CC(=O)Nc1cccc(SC)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930223 IDJWFKWAINMTEL-UHFFFAOYSA-N 428.963 3.720 0 40 IHAB O=C(Nc1cc(F)ccc1F)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 20008396 JUOLHNZXTKGLEN-HXUWFJFHSA-N 434.439 3.632 0 40 IHAB COc1ccccc1[C@@H](C)NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1 20010249 JKMZNJQLQZIIGC-GOSISDBHSA-N 430.570 3.896 0 40 IHAB COc1ccccc1-c1nnc(SCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)n1N 20051098 FLPPPXUIAWFXND-HNNXBMFYSA-N 437.569 3.516 0 40 IHAB Cc1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CCN(Cc3ccccc3)CC2)cc1 20140965 BAHAGVZASXZYPB-SANMLTNESA-N 438.579 3.937 0 40 IHAB C[C@@H](NC(=O)COc1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1)c1ccccc1 22230994 LFKTZEDGXGPCOF-LJQANCHMSA-N 438.549 3.909 0 40 IHAB CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(Cl)cc2C(F)(F)F)Oc2ccccc21 22515628 JPTXCOIRZWWOKP-OAHLLOKOSA-N 434.823 3.525 0 40 IHAB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CCN1CCN(CC)CC1 22784873 CCOVPSCNRUOOJV-UHFFFAOYSA-N 433.549 3.697 0 40 IHAB O=C(NCCCc1ccccc1)C(=O)NC[C@@H](c1cccs1)N1CCc2ccccc2C1 22908054 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CC(=O)NCCc1ccc(C(=O)CSc2nnc(-c3ccccc3C)n2C)cc1F 40127489 SJLOMFQWPFHRHI-UHFFFAOYSA-N 426.517 3.583 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccc(C)cc2OCc2cc(=O)n3oc(C)cc3n2)cc1 41089517 KCAFEWUNCHTIPU-UHFFFAOYSA-N 439.493 3.593 0 40 IHAB COc1ccc(-c2nnc3sc(NC(=O)[C@H](C)Oc4cccc(C)c4)nn23)cc1OC 41108747 WVSAWRJFZRHGMC-ZDUSSCGKSA-N 439.497 3.584 0 40 IHAB O=C(C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1)N1CCc2ccccc21 44880432 BGSRNRHROYHCDR-UHFFFAOYSA-N 436.936 3.610 0 40 IHAB Cc1cccc(N2CCN(Cc3nc(-c4ccc(N5CCC[C@H](C)C5)nc4)no3)CC2)c1 49409636 LRWNYLYEIWFFIR-FQEVSTJZSA-N 432.572 3.999 0 40 IHAB CC(=O)c1ccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@H]6C[C@H]56)[C@@H]4C3=O)c2)cc1 102084150 MZFGGOPQZTWAAX-GNWGRXFHSA-N 426.472 3.699 0 40 IHAB CCOC(=O)c1c(NC(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)sc2c1CC[C@@H](C)C2 102440962 JFYNDMLYDBQILR-KFWWJZLASA-N 446.569 3.553 0 40 IHAB Cc1nnc2c3ccccc3c(-c3cccc(S(=O)(=O)NCc4ccccc4)c3)nn12 103239440 VQRKFYUTZAQTRF-UHFFFAOYSA-N 429.505 3.731 0 40 IHAB CCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 104817765 VWCANZNBNULTDG-OFNKIYASSA-N 439.581 3.620 0 40 IHAB CCOC[C@]1(C(N)=S)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(F)c1 217925414 NXTBSGNZEXXYDM-JENIJYKNSA-N 427.950 3.728 0 40 IHAB CCCSc1nnc(NC(=O)[C@@H](CC)N(c2cccc(C)c2)S(C)(=O)=O)s1 222622949 DSVGTPKBRXLFMK-CQSZACIVSA-N 428.605 3.532 0 40 IHAB C[C@H](COc1ccccc1)NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 223970233 OAKKBYONPOQXIQ-MRXNPFEDSA-N 428.485 3.824 0 40 IHAB Cc1ccc(CN(CC(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)S(C)(=O)=O)cc1 224078774 PMKFPOMUGDHYOW-VWLOTQADSA-N 436.577 3.971 0 40 IHAB COC(=O)c1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)c(C)c1 224189929 KAWRPFQLSISILY-UHFFFAOYSA-N 438.505 3.859 0 40 IHAB CC(=O)Nc1ccc(NC(=O)c2ccc(CN(C)S(=O)(=O)c3ccccc3)cc2)cc1 224410873 HGFZNKKNZASZER-UHFFFAOYSA-N 437.521 3.718 0 40 IHAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-n1cnnc1 224425036 FVYZIBONSFVYBK-NHCUHLMSSA-N 433.516 3.719 0 40 IHAB COc1ccc(N(Cc2ccc(C(=O)NCC3=CCCCC3)cc2)S(C)(=O)=O)cc1 224696113 UEVSVHRDMWJAEJ-UHFFFAOYSA-N 428.554 3.892 0 40 IHAB CCOC(=O)CN(c1ccccc1C(=O)OCC)S(=O)(=O)c1ccc2ccccc2c1 225049209 GKUGHTAMOWZSGS-UHFFFAOYSA-N 441.505 3.775 0 40 IHAB C[C@H](O)c1ccc(C2(CNC(=O)CCc3ccc(S(C)(=O)=O)cc3)CCCC2)s1 225682997 SCDPZLZFNSLLSB-INIZCTEOSA-N 435.611 3.766 0 40 IHAB CC(=O)c1ccccc1OC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1 251060919 VJERKDHTEFPNST-ZNHHMURHSA-N 427.456 3.666 0 40 IHAB CC(=O)c1ccc(NC(=O)CN2CCC([C@]3(C)CN(Cc4ccccc4)C(=O)O3)CC2)cc1 257201587 AIFUNKGHZGGWLL-SANMLTNESA-N 449.551 3.951 0 40 IHAB CCc1ccc(N([C@H](C)C(=O)NCCOc2ccc3ccccc3c2)S(C)(=O)=O)cc1 260935036 OGYVLHDQSZGQFF-GOSISDBHSA-N 440.565 3.752 0 40 IHAB CC(C)n1nccc1[C@@H]1CN(Cc2cccnc2)C[C@]12CCCN(Cc1ccncc1)C2=O 306130670 JMPRWIZUGXSLMA-JYFHCDHNSA-N 444.583 3.662 0 40 IHAB O=C(CCCc1c[nH]c2ccccc12)NCCn1cc(-c2nc(-c3cccs3)no2)nn1 390827858 LFYUWVCPSHEAHQ-UHFFFAOYSA-N 447.524 3.677 0 40 IHAB CN(C)C(=O)N1CCC(CNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 390830052 ILDYYCZMUIXREJ-UHFFFAOYSA-N 425.373 3.848 0 40 IHAB COc1ccc(Cl)cc1NC(=O)COC(=O)CCC(=O)Nc1cccc(Cl)c1 408662464 IUUCHHVLNLMIGG-UHFFFAOYSA-N 425.268 3.903 0 40 IHAB CCCOC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(F)cc2)cc1 408663862 PBAFEZXBYIOPQY-UHFFFAOYSA-N 444.459 3.683 0 40 IHAB CCc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@@H](C)C=CC[C@H]4C3=O)cc2)cc1 408671190 YSRHWYCSUYQMQC-YTJPUZGESA-N 446.503 3.746 0 40 IHAB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3ccc(C(C)C)cc3)c2=O)=N1 409035414 SOARQMQKSYRUDX-FQWPPLDYSA-N 446.572 3.922 0 40 IHAB CCN1C(=O)N/C(=C/c2ccc(OCc3ccc(I)cc3)cc2)C1=O 409168712 RTTBDRGLJNYSQW-GZTJUZNOSA-N 448.260 3.783 0 40 IHAB COc1ccccc1NC(=O)COc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1 409370853 USLKGIRKMUEQMK-UHFFFAOYSA-N 426.494 3.822 0 40 IHAB CCN1CCN(C(=O)Cc2ccccc2OC)[C@H](Cc2ccccc2-c2ccncc2)C1=O 585168844 BMMWQNCXPHAVFC-XMMPIXPASA-N 443.547 3.602 0 40 IHAB CCN1CCN(C(=O)c2ncccc2O)C[C@@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 585183632 UNELPSYOVIXJHO-HXUWFJFHSA-N 447.510 3.757 0 40 IHAB C[C@@H](C(=O)Nc1ccc(-c2ccc(N3CCCCC3)nn2)cc1)n1nc(C2CC2)ccc1=O 585411876 OWTQDOAQRREOBF-KRWDZBQOSA-N 444.539 3.768 0 40 IHAB Cc1cc(C)n(C[C@H]2CN(C(=O)[C@H](c3ccccc3)N3CCc4ccccc43)CCO2)n1 601008486 YHVKHOVMBOULCX-NOZRDPDXSA-N 430.552 3.531 0 40 IHAB O=C(Nc1nc2cc(C(F)(F)F)ccc2s1)C1CCN(c2ccc3nncn3n2)CC1 642016438 CLKBUYDSHWFEMM-UHFFFAOYSA-N 447.446 3.608 0 40 IHAB Cc1cccc2c1NCC[C@H]1CC[C@@H](CN(C(=O)Cn3cc(C(F)(F)F)cn3)C2)N1C 643574193 ILPAUNDTXDCZFA-MOPGFXCFSA-N 435.494 3.518 0 40 IHAB CCc1cc(I)ccc1NC(=S)NC(=O)c1cccc(OC)c1 1266015 FMWSWSRYYQQOIX-UHFFFAOYSA-N 440.306 3.989 0 40 IHAB c1ccc(CN2CCN([C@H](c3cccs3)c3nnnn3Cc3ccccc3)CC2)cc1 1337539 AOPUDLOVBCLWLP-HSZRJFAPSA-N 430.581 3.690 0 40 IHAB COC(=O)c1cc(-c2sccc2Br)[nH]c1N1CCC(C(=O)OC)CC1 1382378 RDTBNBLHBAOFJW-UHFFFAOYSA-N 427.320 3.682 0 40 IHAB Cc1ccc(C(=O)NC(C)(C)C)cc1NC1=C(Cl)C(=O)N(Cc2ccccc2)C1=O 1953918 CSJAQJHPANNVGD-UHFFFAOYSA-N 425.916 3.955 0 40 IHAB COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccccc2Br)N1C(C)=O 2095884 DVECIDKWIISVPT-UYAOXDASSA-N 427.298 3.966 0 40 IHAB biogenic CCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCN(C)C)cc1OC 2407951 VDCOLNYJQPPPGN-JOCHJYFZSA-N 436.508 3.697 0 40 IHAB O=C(COC(=O)c1cncc(Br)c1)Nc1nc(-c2ccc(F)cc2)cs1 2650593 ZZXGQRPOSMJKEK-UHFFFAOYSA-N 436.262 3.902 0 40 IHAB CCCN(CC(=O)Nc1cc(C)c(Cl)cc1OC)S(=O)(=O)c1ccc(F)cc1 3432799 XLXBRTJYJSRZIX-UHFFFAOYSA-N 428.913 3.836 0 40 IHAB Cc1nn(-c2ccccc2)c2sc(C(=O)NCCOC(=O)COc3ccccc3)cc12 3515798 NETIVSFEUXPIKA-UHFFFAOYSA-N 435.505 3.747 0 40 IHAB O=C(COC(=O)c1ccccc1I)c1ccc(OC(F)F)cc1 3525433 KKTDPJCIXNZTNH-UHFFFAOYSA-N 432.160 3.932 0 40 IHAB CCCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(Cl)cc3)CC2=O)cc1 8383813 BDSQFHLOUREJEZ-KRWDZBQOSA-N 443.883 3.686 0 40 IHAB CSc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCc4ccccc43)CC2)cc1 8933988 ZKDQGSUBNDSBKL-UHFFFAOYSA-N 430.595 3.789 0 40 IHAB CS(=O)(=O)Nc1cccc(C2=NN(C(=O)c3ccco3)[C@H](c3ccc(F)cc3)C2)c1 9126924 HOQSUAWQAOTTLJ-IBGZPJMESA-N 427.457 3.782 0 40 IHAB CCN(C(=O)CN1C(=O)c2ccccc2C1=O)[C@@](C)(CC)C(=O)Nc1c(C)cccc1C 9137220 IOEMEGNQJPIYGO-VWLOTQADSA-N 435.524 3.555 0 40 IHAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N(C)C[C@@H]2COc3ccccc3O2)cc1 9155257 AHBQKNVQZNGIKQ-HXUWFJFHSA-N 441.487 3.606 0 40 IHAB C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)OCc1ccc(Br)cc1)C2=O 9591799 DAMMLSAOMKIECX-RNODOKPDSA-N 437.334 3.629 0 40 IHAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)N(C)Cc3ccccc3)Oc3ccccc32)cc1 9699491 HZMMAARVGGBRAV-HSZRJFAPSA-N 436.533 3.610 0 40 IHAB O=C(NC[C@H](c1cccs1)N1CCc2ccccc21)C(=O)Nc1cc(F)ccc1F 9708319 VMRLRTYDOHSVBH-LJQANCHMSA-N 427.476 3.885 0 40 IHAB CC(C)[C@H](NCC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(F)cc1 9836619 XIARZUCAZPFYCP-QHCPKHFHSA-N 447.576 3.926 0 40 IHAB CC(=O)N[C@H](CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccc(Cl)cc1 10082967 IKURJSWCEOLKHW-OAQYLSRUSA-N 427.932 3.785 0 40 IHAB COc1ccc(OC)c(-c2csc(NC(=O)COC(=O)[C@]3(C)CC3(Cl)Cl)n2)c1 10863610 BBRCOGZTSSSDMU-KRWDZBQOSA-N 445.324 3.893 0 40 IHAB O=C(CCn1c(=O)oc2cc(Cl)ccc21)Nc1nc2cc3c(cc2s1)OCCO3 11752128 MWTSBCLFHBZNBQ-UHFFFAOYSA-N 431.857 3.658 0 40 IHAB CCCn1ncc(CN2CCC3(CC2)C[C@@]2(CO3)NC(=O)c3cc(Cl)ccc3N2)c1C 12085565 KHFIUFISEHEPJG-QHCPKHFHSA-N 443.979 3.562 0 40 IHAB COc1ccccc1N1CCN(C(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)CC1 12545031 SSCAREYHCOKVDY-IBGZPJMESA-N 431.945 3.500 0 40 IHAB CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccccc1SCC(F)(F)F 12584488 RMJSPGMNHUVCRG-UHFFFAOYSA-N 425.475 3.545 0 40 IHAB CC(C)(C)NC(=O)[C@H](c1ccccc1)N(C(=O)c1csnn1)c1ccc2c(c1)OCO2 12638056 BQZLLEPFWXELBP-IBGZPJMESA-N 438.509 3.570 0 40 IHAB CCOc1ccc([C@@H](CNS(=O)(=O)N2CCCC2)c2c[nH]c3ccccc23)cc1OC 12782612 OGSPHLVQOXTFKH-LJQANCHMSA-N 443.569 3.637 0 40 IHAB COc1ccc(OC)c([C@@H]2CCCN2S(=O)(=O)c2cccc(Br)c2)c1 12917456 PYUODYAUSLLSQS-KRWDZBQOSA-N 426.332 3.992 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(Nc3ccc(-n4ccc(C)n4)nn3)cc2)cc1 13010015 LFTKLRGQVYAHAH-UHFFFAOYSA-N 436.497 3.524 0 40 IHAB COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CN(C)Cc3ccccc3)C2=O)cc1 13061748 BDUNWGNREGJFCT-UHFFFAOYSA-N 445.519 3.589 0 40 IHAB COc1cc(C(c2cc(OC)c(OC)c(OC)c2)[C@@H]2COC(=O)[C@H]2C)cc(OC)c1OC 13462854 ZJYVHQGPYKVXQL-XJKSGUPXSA-N 446.496 3.679 0 40 IHAB biogenic,in-vitro COc1cc(C(c2cc(OC)c(OC)c(OC)c2)[C@H]2COC(=O)[C@@H]2C)cc(OC)c1OC 13462857 ZJYVHQGPYKVXQL-CJNGLKHVSA-N 446.496 3.679 0 40 IHAB biogenic,in-vitro CCC[C@@H](c1nnnn1C1CCCC1)N(CCCO)Cc1cc2cc(C)ccc2[nH]c1=O 13501023 BJGYYJDXDHBTQN-QFIPXVFZSA-N 438.576 3.664 0 40 IHAB COc1cc(CN2[C@H]3c4ccccc4OC[C@H]3CN2C(=O)c2ccncc2)cc(OC)c1 13567145 XXAWNUPYPBLWAO-NTKDMRAZSA-N 431.492 3.722 0 40 IHAB COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1OC 13913902 SLDQSWPQQKUJFE-RIYZIHGNSA-N 444.553 3.920 0 40 IHAB O=C(CCC(=O)c1ccc2c(c1)CCCC2)Nc1cccc(S(=O)(=O)N2CCCC2)c1 14120063 VFUGPBFWGHXMHE-UHFFFAOYSA-N 440.565 3.952 0 40 IHAB C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCN(C(=O)c2cccs2)CC1 14129645 HCLFQARHCFYFLN-IBGZPJMESA-N 433.577 3.800 0 40 IHAB COc1ccc([C@@H](CNC(=O)Cc2c(C)nn(-c3ccccc3)c2C)N2CCCC2)cc1 14240683 SBWRMSIIAMDRSW-RUZDIDTESA-N 432.568 3.994 0 40 IHAB Cc1noc2nc(C3CC3)cc(C(=O)Nc3c(C(=O)N4CCOCC4)oc4ccccc34)c12 14337299 ZZUBDDANEVFGQJ-UHFFFAOYSA-N 446.463 3.880 0 40 IHAB O=C(Nc1ccc(F)c(F)c1)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 15588503 FXOUROGDSMFICX-UHFFFAOYSA-N 432.404 3.747 0 40 IHAB CCOc1ccc(S(=O)(=O)NCCc2csc3nc(-c4cccc(F)c4)nn23)cc1 15783980 FOWZEOYSUCWKAU-UHFFFAOYSA-N 446.529 3.517 0 40 IHAB CCOc1cc(CNCCSc2nnnn2C)cc(Cl)c1OCc1ccccc1 16688633 XNDHTLIGZYIKLK-UHFFFAOYSA-N 433.965 3.723 0 40 IHAB COc1ccc(Cl)cc1C(=O)NC(=S)Nc1sc2c(c1C(N)=O)CC[C@H](C)C2 17101816 NOZAOZSZJXJGTN-VIFPVBQESA-N 437.974 3.761 0 40 IHAB O=C(N[C@@H](N1CCN(Cc2ccccc2)CC1)C(Cl)(Cl)Cl)c1cccs1 19370958 QQFGIKCNYYIEHW-KRWDZBQOSA-N 432.804 3.992 0 40 IHAB CN1CCN(c2nccc(CN(Cc3cccs3)C3CC(C)(C)NC(C)(C)C3)n2)CC1 19461037 BLZSZBKRYYRQDX-UHFFFAOYSA-N 442.677 3.601 0 40 IHAB Cc1noc(C)c1CCC(=O)N1CCNC(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)C1 19580736 KMEDOZNGWDTUIR-HSZRJFAPSA-N 431.536 3.708 0 40 IHAB CNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCN(C(=O)CCc2ccccc2)C1 19591445 WTEIBZFPMCDSKG-MHZLTWQESA-N 427.548 3.889 0 40 IHAB COCCNC(=O)c1sc2ncccc2c1[C@@H]1CN(C(=O)CC2CCCCC2)CCO1 19703166 MFARXVICWMPBMV-SFHVURJKSA-N 445.585 3.543 0 40 IHAB O=C1CCCC[C@@H]2[C@H](C[C@@H](Cc3ccccc3)N2S(=O)(=O)c2ccc(Cl)cc2)N1 19712111 PWSWYKZRJGFISH-HLAWJBBLSA-N 432.973 3.773 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(F)cc2)Cc2ccc(F)cc2)cc1 20012371 YMCLSLUYBYHYKV-UHFFFAOYSA-N 444.503 3.781 0 40 IHAB COc1cc2nc(SCC(=O)Nc3c(C)cccc3C)n3nc(C)nc3c2cc1OC 20216210 LPVGADMJCDCINI-UHFFFAOYSA-N 437.525 3.951 0 40 IHAB CC(C)c1nnc2ccc(N3CCC(C(=O)Nc4ccccc4N4CCCC4)CC3)nn12 20736883 GBHYEHSXTOPLFR-UHFFFAOYSA-N 433.560 3.703 0 40 IHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O 21899064 DTBCCEZYTYZJLY-UHFFFAOYSA-N 438.933 3.626 0 40 IHAB CCc1nc2sc([C@@H](c3ccc(C(F)(F)F)cc3)N3CCN(CC)CC3)c(O)n2n1 22854463 AZALQOOSAKRADW-MRXNPFEDSA-N 439.507 3.805 0 40 IHAB Cc1nn(Cn2ccc(C(=O)Nc3ncc(Cl)cc3Cl)n2)c(C)c1Br 27973420 RBZYFJLGDUWTTF-UHFFFAOYSA-N 444.120 3.919 0 40 IHAB NC(=O)c1cccc(CNC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)c1 29143085 CKYPLMVXOCRLJP-NRFANRHFSA-N 435.911 3.617 0 40 IHAB Cc1cc(Cl)c(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2ccco2)c1Cl 31560296 MSDYXIUWLOMWCJ-HNNXBMFYSA-N 431.341 3.673 0 40 IHAB COc1cc(CNS(=O)(=O)c2cccc(Cl)c2F)ccc1OCc1cccnc1 32435628 PYWZPZZXDXRAGP-UHFFFAOYSA-N 436.892 3.940 0 40 IHAB CN(C(=O)c1ccc(CSc2nc3ccccc3s2)cc1)[C@@H]1CCS(=O)(=O)C1 32718828 QWJCAJICVCMPAN-MRXNPFEDSA-N 432.592 3.848 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CNC(=O)c1cccc(Br)c1 32845315 VGHPKXLBBKYDEL-UHFFFAOYSA-N 427.302 3.620 0 40 IHAB COc1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2cccnc2)cc1 35598299 UDYPFHSVOWZMON-QFIPXVFZSA-N 434.492 3.926 0 40 IHAB O=C(NC1CCCC1)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)O)sc2c1CCC2 35897630 OWWBZGDRILUOGN-OBQMCUGOSA-N 428.554 3.761 0 40 IHAB COC(=O)c1ccc(NC(=O)CSc2nnc(COc3cccc(C)c3C)n2C)cc1 59176322 DKQAKKYEAJEUSB-UHFFFAOYSA-N 440.525 3.528 0 40 IHAB O=C(CCNC(=O)[C@@H](c1cccc(Br)c1)N1CCCC1)NC1CCCCC1 72307096 WMYMXAKEFZTSSG-HXUWFJFHSA-N 436.394 3.541 0 40 IHAB O=CN(O)[C@@H](CS(=O)(=O)Cc1ccc(OCc2ccccc2)cc1)c1ccccc1 73633117 CKPJPTGSUFIXOU-QHCPKHFHSA-N 425.506 3.769 0 40 IHAB CC1(C)OC[C@@H](CNc2nc(CN3CCOCC3)nc3scc(-c4cccs4)c23)O1 95427471 WOXUVWDILIRAMJ-CQSZACIVSA-N 446.598 3.815 0 40 IHAB COCCOc1ccc(CN2CCCC[C@H]2c2cc3nc(C)c(C)c(O)n3n2)cc1OC 100146685 CBRZQDSHXHOSND-FQEVSTJZSA-N 440.544 3.813 0 40 IHAB CNC(=O)c1sc2ncccc2c1[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 100688349 CPFYNTQOWUAKEL-IYBDPMFKSA-N 443.594 3.908 0 40 IHAB Cc1cc(-c2cnc(N(C)C)nc2[C@H]2CC[C@H](CNC(=O)CC[C@@H]3CCCO3)CC2)on1 100743973 OOJIYKBUHJSMCW-OTWHNJEPSA-N 441.576 3.855 0 40 IHAB COc1ccc2c(c1)[C@H]1C[C@](C)(O2)N(C)C(=O)[C@H]1S(=O)(=O)c1ccc(C(C)C)cc1 100894848 SLJZKUWMQWWDMC-NWSQWKLXSA-N 429.538 3.715 0 40 IHAB O=C(O)c1ccc(Nc2cnn(C34C[C@H]5CC(C[C@@H](C5)C3)[C@@H]4C(=O)O)c(=O)c2Cl)cc1 101093484 NQIIUJFRROHBSQ-JJZIJDQDSA-N 443.887 3.575 0 40 IHAB COc1ccc(-c2nn3c(nc2=O)-c2ccccc2N[C@@H]3c2ccc(C(=O)O)cc2)cc1 101216370 ZLZSJHPCWCFJIS-NRFANRHFSA-N 426.432 3.652 0 40 IHAB Cc1ccn2c(NC(=O)CCN3C(=O)[C@H]4CCCC[C@@H]4C3=O)c(-c3ccc(F)cc3)nc2c1 103588931 FODNERFBGCBROE-OALUTQOASA-N 448.498 3.953 0 40 IHAB COc1cc(OC)cc(C(=O)N2CCC(C(=O)N3CC[C@H](C)[C@@H]4CCCC[C@@H]43)CC2)c1 105725464 DVNQYQOPIQXDOK-RTFZILSDSA-N 428.573 3.983 0 40 IHAB COc1ccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3cc(C)ccc3C)n2)c(OC)c1 219077590 YXDIDQZADPYYSB-INIZCTEOSA-N 425.485 3.797 0 40 IHAB COc1ccc([C@H](CC(C)C)NC(=O)[C@H](C)N(c2cccc(OC)c2)S(C)(=O)=O)cc1 220183862 JQPOZWKFWIDFEF-JTSKRJEESA-N 448.585 3.762 0 40 IHAB C[C@H](NC(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O)c1ccc2c(c1)CCC2 223240072 HEZPHEAFXVCEFO-HNNXBMFYSA-N 436.524 3.877 0 40 IHAB CCN(c1ccc(C(=O)NCCOc2ccc3ccccc3c2)cc1)S(=O)(=O)CC 223636917 NKJUEHLYDGSCMY-UHFFFAOYSA-N 426.538 3.825 0 40 IHAB CCS(=O)(=O)N(C)c1ccc(C(=O)N2c3ccc(Br)cc3C[C@@H]2C)cc1 225964499 ZSIBJAKAACRUAY-ZDUSSCGKSA-N 437.359 3.826 0 40 IHAB Cn1cc(-c2cc(C(=O)N3[C@@H](Cc4ccccc4)C[C@H]4NCCCCC[C@@H]43)ccn2)cn1 257203311 APLSVKCPSIKCDP-CAOCKLPOSA-N 429.568 3.840 0 40 IHAB CCn1nc2c(c1C(=O)N1CCO[C@H](c3cncc(-c4ccccc4F)n3)C1)CCCC2 257257077 KOAASJFYEBBCJZ-QFIPXVFZSA-N 435.503 3.592 0 40 IHAB Cc1cc(Nc2nc(C)cs2)cc([C@H]2CN(C(=O)c3n[nH]c4c3CCCC4)CCO2)n1 257279562 OHFRMUAASKQPEO-LJQANCHMSA-N 438.557 3.714 0 40 IHAB CCN(c1ccc2sc(C(=O)N[C@H](C)COC)cc2c1)S(=O)(=O)c1ccccc1 260622114 RDSTZABEKVGWKR-OAHLLOKOSA-N 432.567 3.881 0 40 IHAB CN(C)C(=O)N1CCC[C@H]1c1nc(C(=O)NCc2ccc(Cl)cc2)c2ccccn12 306131785 KPOHJLWNMZLKAH-SFHVURJKSA-N 425.920 3.736 0 40 IHAB Cc1c(Br)ccc(NC(=O)COC(=O)CCC(=O)Nc2ccccc2)c1C 408663102 LCMQRAASXKFWHJ-UHFFFAOYSA-N 433.302 3.967 0 40 IHAB Cc1cc(Cl)ccc1NC(=O)CSc1nnc(CC(=O)Nc2ccccc2)n1C 409352762 YOQGNHIUDSWZSL-UHFFFAOYSA-N 429.933 3.689 0 40 IHAB CS(=O)(=O)c1cccc([C@@H](NC(=O)c2ccc(C(=O)O)cc2)c2ccc(Cl)cc2)c1 532002657 GJAJEVHCSBXGOC-FQEVSTJZSA-N 443.908 3.961 0 40 IHAB O=C(NCCN1C(=O)COc2ccccc21)c1ccc2scc(Br)c2c1 1627282271 XSYWSFDQISOPMR-UHFFFAOYSA-N 431.311 3.819 0 40 IHAB CCN(CC)CCCNC(=S)N1CCO[C@H](c2cccc(Nc3ncc(C)s3)n2)C1 2037836232 VRUYBRLZQKYAMS-SFHVURJKSA-N 448.662 3.570 0 40 IHAB Cc1cc(C)c(S(=O)(=O)N(CC(=O)NCc2cccnc2)C2CCCCC2)c(C)c1 807615 WVVDBXVFBSGXAG-UHFFFAOYSA-N 429.586 3.647 0 40 IHAB COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(C)cc2C)cc(OC)c1OC 909680 QYEAVLGOFFNYSF-HXUWFJFHSA-N 425.485 3.596 0 40 IHAB COc1ccc(Cl)cc1NC(=O)c1c(O)c2c(n(Cc3ccco3)c1=O)CCCC2 911779 MFPKQDWDUOUWOD-UHFFFAOYSA-N 428.872 3.988 0 40 IHAB COc1cccc([C@H]2C3=C(N=c4s/c(=C\c5ccco5)c(=O)n42)c2ccccc2CC3)c1 1406851 CQMLRFPMFZSUHN-FCKOQQNDSA-N 440.524 3.920 0 40 IHAB CC[C@@H](C)[C@H](NC(=O)COc1ccc2c(=O)c(Oc3ccccc3)coc2c1)C(=O)OC 2090548 SZHWVGDRJNYEGJ-QRQCRPRQSA-N 439.464 3.668 0 40 IHAB biogenic O=C(c1cccnc1)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccc(Cl)cc1 2493460 PPGXMCZXDHCAOW-UHFFFAOYSA-N 446.893 3.939 0 40 IHAB Cc1noc(C)c1COC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1 3246629 DKDGLTCLCCJFQS-AWEZNQCLSA-N 426.494 3.788 0 40 IHAB Cc1cc(=O)oc2cc(OCc3ccc(C(=O)OCC(=O)NCC(F)(F)F)cc3)ccc12 3321393 MOVXIUNMMMEEPO-UHFFFAOYSA-N 449.381 3.516 0 40 IHAB CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)COc1ccc(C)c(C)c1 4943790 PKWDYRJPYMZIPF-UHFFFAOYSA-N 425.485 3.798 0 40 IHAB COc1ccc([C@@H](CNC(=S)NCc2ccc3c(c2)OCO3)N2CCCCC2)cc1 6336567 LKJFGKBWINVKLK-HXUWFJFHSA-N 427.570 3.615 0 40 IHAB Cc1cc(C(=O)COC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)c(C)n1C[C@H]1CCCO1 8713710 UZHBCLZOZGECHE-DOTOQJQBSA-N 442.537 3.756 0 40 IHAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(CN3CCCC3)n2-c2ccccc2)c1C 8726116 JCNWFZGXQTXBNC-UHFFFAOYSA-N 437.569 3.986 0 40 IHAB Nc1c(Cl)cc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)cc1Cl 8770258 ISRJZPCYISJXIS-UHFFFAOYSA-N 442.368 3.762 0 40 IHAB Cc1cc2cc(CN(Cc3ccco3)C(=S)NC[C@H]3CCCO3)c(=O)[nH]c2cc1C 8829055 VSNGKRWYXKPBID-LJQANCHMSA-N 425.554 3.794 0 40 IHAB Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc(OCc2cn3ccccc3n2)cc1 9058108 JYAHSKCOEMQKKP-UHFFFAOYSA-N 428.492 3.899 0 40 IHAB O=C(Nc1nc2c(s1)CC[C@@H]2C(=O)N1CCc2ccccc2C1)c1ccc2c(c1)OCO2 9132416 PGBIOOIEJCFNHH-KRWDZBQOSA-N 447.516 3.739 0 40 IHAB Cn1cccc1[C@H]1CCCN1CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 9207689 HJIWEPOLSNBMTO-HXUWFJFHSA-N 436.478 3.656 0 40 IHAB COc1cc(/C=C2/NC(=S)NC2=O)ccc1OCCOc1ccc(C(C)(C)C)cc1 9310570 VFXGDXXEDNWESP-QGOAFFKASA-N 426.538 3.796 0 40 IHAB Cc1c(C(=O)c2ccccc2)oc2ccc(NC(=O)Cn3nnc4ccccc4c3=O)cc12 9486549 XYMIWPULCQDXHF-UHFFFAOYSA-N 438.443 3.716 0 40 IHAB COc1ccc(C(=O)Nc2nc(CC(=O)NCCc3ccc(Cl)cc3)cs2)cc1 9628058 NNOWCBLEIFGDFT-UHFFFAOYSA-N 429.929 3.959 0 40 IHAB CC(C)c1ccc([C@H](NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C(C)C)cc1 9703558 AYSPSWMYGOJJPW-HSZRJFAPSA-N 444.597 3.958 0 40 IHAB O=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N1CCC[C@H]1c1nnc2ccccn12 9737251 PAFIPMYFBFLIFA-ZDUSSCGKSA-N 430.839 3.927 0 40 IHAB CC(C)c1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(C(C)C)cc4)C(=O)[C@H]32)cc1 9837322 ARILGLQBIPYFNO-YADHBBJMSA-N 433.512 3.865 0 40 IHAB COc1ccc(C(=O)C[C@@]2(O)C(=O)N(CCOc3ccccc3)c3ccccc32)c(OC)c1 9926271 GFFIQECGWNSRSU-SANMLTNESA-N 447.487 3.590 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCCN3CCC(C)CC3)c2)cc1 10112531 DSPCKVNNHMAIJS-UHFFFAOYSA-N 429.586 3.648 0 40 IHAB Oc1nnc(-c2ccc(Cl)cc2Cl)c2c1Nc1nnnn1[C@@H]2c1ccccc1F 10298198 ARUAFQMHNFNXLU-MRXNPFEDSA-N 430.230 3.976 0 40 IHAB COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)Nc2cccc(Cl)c2)CC1 10302954 UJCKLAZKVCEYPR-UHFFFAOYSA-N 426.897 3.527 0 40 IHAB O=C(CSc1n[nH]c(=O)n1CCc1ccccc1)Nc1ccccc1SC(F)F 10414403 IVUMZBITQHZONF-UHFFFAOYSA-N 436.509 3.860 0 40 IHAB CCN(CC)CCN(C(=O)C1=COCCO1)c1nc2ccc(Br)cc2s1 12140850 GUCRDJUYOGQHKQ-UHFFFAOYSA-N 440.363 3.622 0 40 IHAB COc1ccc(Nc2ccccc2NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 12554158 WVUNKGRDMSEPMV-UHFFFAOYSA-N 425.510 3.941 0 40 IHAB COc1ccc([C@@H](CNC(=O)c2ccc(Cl)cc2Cl)N2CCOCC2)cc1OC 12805601 JFUDUKRDHBTLQT-GOSISDBHSA-N 439.339 3.814 0 40 IHAB CCOC(=O)N1CCN(C(=O)CSc2ncnc3sc(-c4ccccc4)cc23)CC1 13057834 ZGMCIVJQENRSLO-UHFFFAOYSA-N 442.566 3.751 0 40 IHAB Cc1cccc2cc(CN(Cc3ccccc3)Cc3nnnn3Cc3ccco3)c(=O)[nH]c12 13494238 NEVOQEJVDLMVQZ-UHFFFAOYSA-N 440.507 3.667 0 40 IHAB COc1ccccc1[C@@H](c1nnnn1C1CCCC1)N1CCN(c2ccccc2F)CC1 13503911 RJFXNFWALUAQMR-QHCPKHFHSA-N 436.535 3.848 0 40 IHAB CCOc1ccc(-n2c(C)nnc2SCC(=O)NCc2cc3ccccc3n2C)cc1 13568314 JZGRNEXVAUBENE-UHFFFAOYSA-N 435.553 3.875 0 40 IHAB COc1cc(C(=O)NC(=S)Nc2ccc(Br)cc2F)cc(OC)c1OC 14271052 DKBUDJCVHNVYGF-UHFFFAOYSA-N 443.294 3.741 0 40 IHAB CCOc1cc(Br)c(CN2Cc3ccccc3C[C@H]2C(N)=O)cc1OCC 15028207 OSXVLWVNXLVHJB-SFHVURJKSA-N 433.346 3.659 0 40 IHAB O=C(C[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2 15390984 JXIATHUUSUFBBY-INIZCTEOSA-N 436.917 3.641 0 40 IHAB CC(C)C(=O)Nc1ccc(NC(=O)c2ccc3c(=O)n(-c4ccccc4)c(=O)[nH]c3c2)cc1 16204829 FJDQSNAWRONKCB-UHFFFAOYSA-N 442.475 3.526 0 40 IHAB COc1ccc(N(C[C@H](O)CN2[C@@H](C)CCC[C@@H]2C)S(=O)(=O)c2ccc(C)cc2)cc1 16839626 DPPITQLJNRVYME-JAXLGGSGSA-N 446.613 3.823 0 40 IHAB COc1ccccc1[C@H]1C(C(=O)Nc2cccnc2)=C(C)Nc2nc(-c3ccncc3)nn21 17243945 DRUUQQUBVVBQJQ-NRFANRHFSA-N 439.479 3.671 0 40 IHAB C[C@@H](Oc1ccccc1F)C(=O)N1CCC[C@@H](c2nc3ccc(F)cc3cc2C(N)=O)C1 19078328 LLKZMRKCEMMCNZ-HUUCEWRRSA-N 439.462 3.785 0 40 IHAB O=C(Cc1cccs1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(CC1CCCCC1)CC2 19343205 VSTDUGGMDAWMSQ-OAQYLSRUSA-N 440.613 3.676 0 40 IHAB CC(C)c1nccn1CC(=O)N1CCO[C@@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 19454378 VYCZKSHMUPRUHH-MRXNPFEDSA-N 449.433 3.675 0 40 IHAB COc1ccc(OC)c(C(=O)N2CCC[C@H](c3cc(N(C)C)nc(-c4cccnc4)n3)C2)c1 19584390 GENCARIFXVMABL-SFHVURJKSA-N 447.539 3.642 0 40 IHAB COc1ccc(CCC(=O)N2CCC(c3cc(-c4cnc(N)nc4)cc(C)n3)CC2)cc1 19692175 ULQKGMHVEYEZPW-UHFFFAOYSA-N 431.540 3.777 0 40 IHAB COC(C)(C)C(=O)N1CCCC[C@H]1c1nc(C)c2c(n1)N(Cc1ccccc1)C(=O)CC2 19741102 CFZMYELSHOVYBL-FQEVSTJZSA-N 436.556 3.743 0 40 IHAB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)Nc1ccc(F)c(F)c1F 20010138 WPMPIUYOXBTOCC-UHFFFAOYSA-N 434.439 3.934 0 40 IHAB O=C(c1cn(CN2CCOCC2)c2ccccc12)N1CCN(c2cccc(Cl)c2)CC1 20647407 MXPPVAUJYHKUNL-UHFFFAOYSA-N 438.959 3.547 0 40 IHAB O=C(Nc1ccc2c(c1)OCCO2)Nc1ccccc1OCc1cc(=O)n2ccccc2n1 21156628 XEOVKWPUUMMGOO-UHFFFAOYSA-N 444.447 3.689 0 40 IHAB Cc1cc(=O)c(C(=O)NC[C@@H](c2ccccc2)N(C)C)nn1-c1ccccc1C(F)(F)F 21869861 IQZTYAZLXXRTIA-IBGZPJMESA-N 444.457 3.592 0 40 IHAB CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Nc1ccc(NC(=O)CN2CCOCC2)cc1 22421296 SBKNQBVGMFPASY-OALUTQOASA-N 438.572 3.910 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3N3CCCC3)C2)s1 22694636 MIIJBJCGLIFFDL-KRWDZBQOSA-N 433.599 3.696 0 40 IHAB Cc1ccc(N(CC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)Cc2ccccc2)cc1 23013966 KUYQOZXLEALNEP-IBGZPJMESA-N 437.565 3.526 0 40 IHAB COc1ccc(-n2c(C)nc3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3c2=O)cc1 23143957 LBFTVSHFVMDGJX-UHFFFAOYSA-N 439.468 3.643 0 40 IHAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NC[C@@H](C(C)C)N3CCOCC3)cc12 24968875 VHPDWGHXSWMMAT-FQEVSTJZSA-N 444.576 3.680 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Oc3cc(C)cc(C)c3C)CC2)cc1OC 25728980 SUZVGHSLAVIPDP-UHFFFAOYSA-N 447.553 3.635 0 40 IHAB CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H](c1cccs1)N(C)C 27674749 MXODSKFZFFGHJB-SJORKVTESA-N 440.034 3.672 0 40 IHAB COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2cc(OC)ccc2OC)C12CCCC2 32073140 YPDMBICRBPMWIE-JOCHJYFZSA-N 438.524 3.841 0 40 IHAB CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[C@H]1Cc2ccccc2C(=O)O1 32674197 BCBWDQPVYUWMKC-GOSISDBHSA-N 435.307 3.952 0 40 IHAB Cc1ccc([C@@H](NCC(=O)N2CCN(C(=O)c3cccs3)CC2)c2cccs2)cc1 32739774 NWQMMSFQDSKFLW-JOCHJYFZSA-N 439.606 3.782 0 40 IHAB Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)Nc1cccc(F)c1 34715184 PPNXUCWHQCYPLQ-UHFFFAOYSA-N 428.485 3.630 0 40 IHAB CCn1c(SCC(=O)Nc2ccccc2C(=O)OC)nnc1[C@@H](C)Oc1ccccc1 35212093 SZDPYNMZVCLSOO-OAHLLOKOSA-N 440.525 3.955 0 40 IHAB COc1ccc(-c2cnn3c2N=C(O)C[C@H]3C(=O)Nc2ccc(NC(C)=O)cc2)cc1OC 35685354 RAVCLURBVFUJML-SFHVURJKSA-N 449.467 3.697 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H](CC(C)C)N[C@]23C(=O)Nc2ccc(C)cc23)cc1 35877475 VORDSJCBYIFJSS-DYRZZGSRSA-N 449.551 3.982 0 40 IHAB biogenic COc1cc(C(=O)Oc2ccc3cc(Br)ccc3c2)ccc1OCC(N)=O 39994081 PZVDFQTXTORNNS-UHFFFAOYSA-N 430.254 3.694 0 40 IHAB O=C(Cc1csc(-c2ccsc2)n1)NC[C@H](O)COc1ccc(C(F)(F)F)cc1 48300214 GPQZYPONZZMNAF-HNNXBMFYSA-N 442.484 3.989 0 40 IHAB Cc1ccc(C)n1-c1c(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)cnn1C 48365964 KSJWQGIIWXDFSX-UHFFFAOYSA-N 436.541 3.526 0 40 IHAB Cc1ccc2c(=O)c(C(=O)Nc3ccccc3)cn(CC(=O)Nc3ccc(F)cc3)c2n1 49002009 RULDWWPYLORMRU-UHFFFAOYSA-N 430.439 3.735 0 40 IHAB Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc(F)c(Cl)c3)c2=O)c1 57490108 PWJCQHGOHPOBQZ-UHFFFAOYSA-N 443.887 3.954 0 40 IHAB C[C@H]1C[C@H](C)CN(Cc2ccc(CNC(=O)c3cccc(CS(C)(=O)=O)c3)cc2)C1 57586885 AWMIBCHHVNWZIZ-OALUTQOASA-N 428.598 3.639 0 40 IHAB COC(=O)C[C@@H](NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1)c1ccc(OC)c(OC)c1 59257910 SANDSQXJJJSHPL-MRXNPFEDSA-N 429.517 3.567 0 40 IHAB COCc1nnc(NC(=O)COc2ccccc2-c2nc(-c3cccc(C)c3)no2)s1 64579626 ZPVHREUHMOADPI-UHFFFAOYSA-N 437.481 3.727 0 40 IHAB CC(=O)N1CCCCC[C@H]1Cc1c(C(=O)NCC(=O)NC(C)(C)C)sc2ccccc12 72370804 QKLPPHJUFAKKCO-KRWDZBQOSA-N 443.613 3.879 0 40 IHAB COc1cccc(CCn2c(=O)[nH]c3ccccc3/c2=N\C(=O)Nc2cccc(OC)c2)c1 101114065 BRVIAYCDHYXWDG-WEMUOSSPSA-N 444.491 3.722 0 40 IHAB CC(=O)OC[C@]12CC[C@H]3[C@@H](C[C@@H](OC(C)=O)[C@H]4CC(=O)CC[C@@]43C)[C@@H]1C[C@@H](OC(C)=O)C2 118929156 IHYPOAFAUZNFQR-OBLMWKTISA-N 448.556 3.615 0 40 IHAB CC[C@H](C(=O)NCCCc1cccc(OC)c1)N(c1ccc(Cl)cc1)S(C)(=O)=O 219106755 QPZLAEZPTWAAIY-HXUWFJFHSA-N 438.977 3.642 0 40 IHAB CC[C@H](NC(=O)[C@H](C)N(c1ccc(OC)c(OC)c1)S(C)(=O)=O)c1ccc(C)c(C)c1 220242687 GUOXRDGTOUZYPT-PXNSSMCTSA-N 448.585 3.743 0 40 IHAB CC[C@@H](C(=O)NCc1ccccc1Cl)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 222494869 QLGNHAZURUUNHX-INIZCTEOSA-N 445.368 3.863 0 40 IHAB Cc1ccc(C)c(N(Cc2ccc(C(=O)N(C)[C@@H]3CCCC[C@H]3O)cc2)S(C)(=O)=O)c1 222659093 WPOIEOGUGHXNNM-FYYLOGMGSA-N 444.597 3.645 0 40 IHAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(SCC(=O)NCc2ccccc2)cc1 223399680 WILYDPCIKBZCOH-UHFFFAOYSA-N 440.590 3.916 0 40 IHAB O=C(CSCc1ccc(Cl)cc1F)N1CCN(Cc2ccc3c(c2)OCO3)CC1 223586876 BTVRPFULIDNLGK-UHFFFAOYSA-N 436.936 3.785 0 40 IHAB O=S(=O)(Cc1ccc(Br)cc1)NCc1nc(-c2cccc(Cl)c2)no1 223634769 QSYHZPGDTOBYSD-UHFFFAOYSA-N 442.722 3.772 0 40 IHAB Cc1ccccc1OCCNC(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O 224049716 CBVQBONXAIPAPZ-UHFFFAOYSA-N 438.977 3.698 0 40 IHAB C[C@@H](CNC(=O)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1)c1ccccc1 224219237 FKLNRCRCGAWVMC-FQEVSTJZSA-N 428.598 3.581 0 40 IHAB Cc1cc(C)c(S(=O)(=O)Nc2cnc(N3CCN(c4ccccc4)CC3)nc2)cc1C 224276639 MSFFDPPHBOQOMS-UHFFFAOYSA-N 437.569 3.529 0 40 IHAB COc1cccc(CN(C(=O)COc2cccc(C)c2C)[C@H](C)C(=O)NCC(C)C)c1 224452299 YDMGZAFHPBYLFM-HXUWFJFHSA-N 426.557 3.880 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC(=O)OC)c2ccc(OC3CCCC3)cc2)cc1 224609373 XOJBHEXWZYMZCQ-UHFFFAOYSA-N 433.526 3.775 0 40 IHAB CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccccc1 224706137 PHEOUDCKXHAMQE-MRXNPFEDSA-N 433.346 3.770 0 40 IHAB O=C(CCc1nc(-c2ccc(Br)cc2)no1)Nc1ccc2c(c1)OCCO2 225819657 CBQIKSOXQLCPKI-UHFFFAOYSA-N 430.258 3.842 0 40 IHAB COc1ccc(Cl)cc1N([C@H](C)C(=O)N[C@H](C)c1ccc(C)c(C)c1)S(C)(=O)=O 260455441 QQMGNYOJMKPOKP-HZPDHXFCSA-N 438.977 3.997 0 40 IHAB O=C1N(Cc2ccncc2)CCO[C@@]12CN(Cc1ccc(Cl)cc1)C[C@H]2c1cccnc1 306126182 DOYWLJZAPUBVST-UKILVPOCSA-N 448.954 3.527 0 40 IHAB CCCNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 408614256 AFNYYXKDNWJASC-AWEZNQCLSA-N 433.430 3.837 0 40 IHAB Cc1cc(NC(=O)COC(=O)CCC(=O)NC2CCCCC2)c(C)cc1Br 408643494 BHHKVMLPPNYCII-UHFFFAOYSA-N 439.350 3.777 0 40 IHAB CCc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@@H]3CC[C@H](C)C[C@H]3C2=O)c1 408658832 IZSBISDJWMQSNZ-ZLGUVYLKSA-N 448.519 3.970 0 40 IHAB COc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2cc(C(C)C)ccc2OC)CC1 408700998 PUDOTFQFXRGQJN-UHFFFAOYSA-N 446.569 3.867 0 40 IHAB CC[C@@H](C)Oc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1OC 409023809 QQUBSWSJVGQGEU-PUMYGXPMSA-N 437.496 3.712 0 40 IHAB CN1CCN(C(=S)c2ccc(OCC(=O)Nc3ccccc3C(F)(F)F)cc2)CC1 409251646 VIMNKLRELGHANY-UHFFFAOYSA-N 437.487 3.646 0 40 IHAB COc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)c1OC 409357204 JTMNSQZEVNCGPK-WOJGMQOQSA-N 426.494 3.996 0 40 IHAB O=C(CCC(=O)N1CCSc2ccccc21)N[C@@H](CO)c1ccc(C(F)(F)F)cc1 538928890 VWNUHESUBUGWDK-INIZCTEOSA-N 438.471 3.774 0 40 IHAB Cc1nccn1CCOc1ccc(CN2CCC(O)(COc3ccccc3F)CC2)cc1 585271836 CYNPBANFQNUQSB-UHFFFAOYSA-N 439.531 3.816 0 40 IHAB CN1CCOc2ccccc2CCCCC2(CCN(C(=O)CCN3CCCC3)CC2)C1 643579541 FRVQCYZQERFVSL-UHFFFAOYSA-N 427.633 3.818 0 40 IHAB O=C(c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)N1CCC[C@H]1[C@H]1CCCOC1 1630904157 BCEBCNTWLTUIBB-JXFKEZNVSA-N 440.993 3.546 0 40 IHAB Cn1nccc1-c1ccc(CCNS(=O)(=O)c2ccccc2OC(F)(F)F)cc1 1889302520 GFSGKXBHPJARSH-UHFFFAOYSA-N 425.432 3.507 0 40 IHAB CC(C)(C)OC(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCc2ccccc2C1 2037844599 ZCOCMSXUBRSFAT-LUKWVAJMSA-N 442.531 3.658 0 40 IHAB COC(=O)c1cnc(SC[C@H]2CCCOC2)n(-c2ccc(C(F)(F)F)cc2)c1=O 2087066478 DYXSWCMFENUYIC-LBPRGKRZSA-N 428.432 3.557 0 40 IHAB Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NCc4cnn(C)c4C)cc3N2)cc1 674141 KKBHQYXTBAZPTB-AEFFLSMTSA-N 432.450 3.824 0 40 IHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)COc2ccc(OC)cc2)cc1 676948 RLIOOUUUMXPHJS-UHFFFAOYSA-N 440.521 3.928 0 40 IHAB CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@H]1c1ccc(C(=O)OC)cc1 684336 HJKOUXFWQKALBS-FQEVSTJZSA-N 436.493 3.881 0 40 IHAB CCOc1ccc(-n2c(=S)[nH]c(O)c([C@@H]3NCCc4c3[nH]c3ccccc43)c2=O)cc1 2092240 JDSWHTFDKDIPCS-FQEVSTJZSA-N 434.521 3.716 0 40 IHAB biogenic Cc1c(CC(=O)N2CCC(C(N)=O)CC2)c(=O)oc2cc3occ(-c4ccccc4)c3cc12 2125698 PNHVXJQDYSFZOP-UHFFFAOYSA-N 444.487 3.781 0 40 IHAB biogenic CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1nc(-c2ccccc2)c(C)s1 3398839 LWYCEQPVFRQROI-LJQANCHMSA-N 441.578 3.834 0 40 IHAB Cc1ccc(C)c(C(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@H](C5)[C@H]4C3=O)cc2)c1 8449733 QEORKYWQHKDERW-SGNKAXLRSA-N 429.472 3.655 0 40 IHAB CSc1ncc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)n1 8612021 XRXDUBFLHXRZMO-GFCCVEGCSA-N 440.978 3.525 0 40 IHAB COc1ccccc1-n1c(S[C@H](C)C(=O)NC[C@@H]2CCCO2)nnc1-c1cccs1 9111772 HKMABODFTFHNKH-CABCVRRESA-N 444.582 3.780 0 40 IHAB Cc1cc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@@H]2CCS(=O)(=O)C2)ccc1Cl 9460735 VYGUWDZGGHXFMZ-QGZVFWFLSA-N 442.364 3.897 0 40 IHAB Cc1noc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)c1C 9493200 AIPQAOIGPSXHOW-UHFFFAOYSA-N 441.918 3.546 0 40 IHAB CC(=O)Nc1cccc(-c2nnc(SCC(=O)Nc3ccc(F)c(Cl)c3)n2C)c1 9601544 VZDBJHBIDJIXIG-UHFFFAOYSA-N 433.896 3.964 0 40 IHAB COc1ccc(C)cc1NC(=O)C(=O)NC[C@@H](c1cccs1)N1CCc2ccccc21 9708306 PWOZLMSJFOUCHV-FQEVSTJZSA-N 435.549 3.924 0 40 IHAB O=C(NCCCc1ccccc1)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 9715553 PBJCNGSGMHSRJX-UHFFFAOYSA-N 438.505 3.579 0 40 IHAB CCn1c(SCc2ccc(Br)cc2)nc2cc(S(N)(=O)=O)ccc21 9728598 SLNSRGXLFYUJEZ-UHFFFAOYSA-N 426.361 3.758 0 40 IHAB CCN(CC)CCN1C(=O)c2oc3cc(OC)ccc3c(=O)c2[C@H]1c1cccc(OC)c1 10233210 OOKXDWHYROBBFG-JOCHJYFZSA-N 436.508 3.697 0 40 IHAB COC(=O)c1ccc(NC(=O)CSc2ncc(CO)n2Cc2ccc(Cl)cc2)cc1 10336488 VRQKAMYFEVJVFY-UHFFFAOYSA-N 445.928 3.595 0 40 IHAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc3c(cc2Cl)OCCCO3)c1 11004448 NLKVOGGQOBZVIJ-UHFFFAOYSA-N 445.324 3.657 0 40 IHAB O=C(Nc1ccc(F)cc1F)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 11650048 SBFJPHSETADAKT-MRXNPFEDSA-N 445.285 3.519 0 40 IHAB O=C(NCCOc1ccc2nnc(-c3ccccc3Cl)n2n1)c1ccc(F)c(F)c1 11693922 FILKWQIIJRFVBA-UHFFFAOYSA-N 429.814 3.532 0 40 IHAB O=C(CSc1ccc(NC(=O)c2ccco2)nn1)Nc1ccc(OC(F)(F)F)cc1 11739294 JCYXIQOIVFAESG-UHFFFAOYSA-N 438.387 3.951 0 40 IHAB CC[C@H](Oc1ccc(C)cc1)C(=O)NC[C@@H](C)NC(=O)[C@@H](CC)Oc1ccc(C)cc1 12137358 WWIGNBPJZHTHOD-WTIAFYNJSA-N 426.557 3.939 0 40 IHAB Cc1cc(-c2snnc2[C@@H]2CCCN(C(=O)C[C@H](C)n3nc(C)c(C)c3C)C2)on1 12252029 IBCQUWRDACSNED-SUMWQHHRSA-N 428.562 3.981 0 40 IHAB O=C(c1ccccc1F)N1CCN(c2ncc(-c3ccncc3)c(-c3ccco3)n2)CC1 12338408 VFXYKMMKDRJGSP-UHFFFAOYSA-N 429.455 3.900 0 40 IHAB COc1cc(CCC(=O)Nc2c(C)c(C)c3c(c2C)NC(=O)CO3)cc(OC)c1OC 12372278 VSIXMOORJJANLF-UHFFFAOYSA-N 428.485 3.540 0 40 IHAB biogenic,in-vitro Cc1ccc([C@H](CNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)N2CCOCC2)o1 12623089 CPEHIKNYQCLRDZ-IBGZPJMESA-N 429.517 3.738 0 40 IHAB Cc1c(C(=O)N2CCN(CC(=O)Nc3cccc(F)c3)CC2)sc2cccc(F)c12 12764194 LFVSABMWDFJRPL-UHFFFAOYSA-N 429.492 3.884 0 40 IHAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)CC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 13011323 AWKDYEOKDJIXMV-MSOLQXFVSA-N 428.598 3.839 0 40 IHAB O=C(CCCC(=O)N(CC(=O)NC1CCCCC1)c1ccccc1F)Nc1ccccn1 13027727 JJQMDVPRFPHWSW-UHFFFAOYSA-N 440.519 3.812 0 40 IHAB CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(F)cc2Cl)oc(C)c1C(C)=O 13121257 IUWXNSHSFNIIMK-UHFFFAOYSA-N 425.796 3.555 0 40 IHAB CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)c1ccccc1NC(=O)CSc1nnnn1C 13138187 RVLRAAOTKCFQBD-MPGHIAIKSA-N 431.562 3.559 0 40 IHAB COc1ccc(OC)c([C@H]2CC(=O)Nc3nc(SCc4ccc(F)cc4)[nH]c(=O)c32)c1 13567402 ZVMOWMBQICWEDW-MRXNPFEDSA-N 441.484 3.693 0 40 IHAB CCS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)Oc2ccccc21 13680607 RGYTVISWJZICHO-MRXNPFEDSA-N 448.850 3.915 0 40 IHAB O=C(CNC(=O)c1ccc(Br)o1)Nc1ccc(OCc2ccccc2)cc1 14249855 IWXAAZLQKKHCLW-UHFFFAOYSA-N 429.270 3.990 0 40 IHAB CCCC(=O)NC(=S)Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 14271620 MNINYTLNYYSTTK-UHFFFAOYSA-N 444.988 3.916 0 40 IHAB Cc1cccc(OCCNC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)c1 15398112 XBICVRKJPQCCKJ-UHFFFAOYSA-N 438.549 3.694 0 40 IHAB CCC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3ccccc3C)co2)s1 16047755 MPQBBPRCZBLYIH-UHFFFAOYSA-N 431.495 3.660 0 40 IHAB Cc1ccc(OCC(=O)NC(=S)Nc2ccc(Br)cc2C(=O)O)cc1C 16312601 ZAYPQQQWUIVRPJ-UHFFFAOYSA-N 437.315 3.656 0 40 IHAB COc1ccccc1Nc1nc(N)nc(CSc2nc3ccccc3c(=O)n2C2CC2)n1 16680275 FIQWURDIJJJHAV-UHFFFAOYSA-N 447.524 3.543 0 40 IHAB CCc1nccn1CC(=O)N1CCCC[C@@H]1c1nc(N(C)C)ncc1-c1ccc(OC)cc1 19694643 WMIYZMINMMIYJG-OAQYLSRUSA-N 448.571 3.731 0 40 IHAB COCCN1CC=CC[C@H](C2CCN(Cc3cnc(-c4ccc(C)cc4)nc3)CC2)C1=O 19698475 IWOVLKFEKQHGFJ-XMMPIXPASA-N 434.584 3.715 0 40 IHAB COc1ccccc1CN1C(=O)Cc2c(C)nc([C@H]3CCCN3C(=O)c3ccccc3)nc21 19739645 JFRFLRGYBHTTRR-OAQYLSRUSA-N 442.519 3.860 0 40 IHAB O=C(CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O)NCCCc1ccc(F)cc1 20106123 XOELXXKWSAZEGM-UHFFFAOYSA-N 442.487 3.890 0 40 IHAB COC(=O)c1c(NC(=O)c2ccco2)sc(C(=O)Nc2cc(OC)ccc2OC)c1C 20295068 RFGBXLWDKCSTKX-UHFFFAOYSA-N 444.465 3.958 0 40 IHAB O=C(CSc1nc(O)c2c(n1)CCN(Cc1ccc(F)cc1)C2)Nc1ccccc1F 20467791 FGYPKNQIQWDXPW-UHFFFAOYSA-N 442.491 3.750 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(C)C2CCCC2)c2ccc(F)cc2)cc1 20486555 MTAGOKSYKAKNAM-UHFFFAOYSA-N 434.533 3.821 0 40 IHAB CCCOc1ccc(N(CC(=O)Nc2ccc(Br)cc2)S(C)(=O)=O)cc1 22380556 ALZXOXAXCOKIJU-UHFFFAOYSA-N 441.347 3.643 0 40 IHAB O=C(CCCC(=O)N1CCN(c2ccc(F)cc2)CC1)Nc1ccc(N2CCCC2)cc1 23213169 FINCSMNWUMONBE-UHFFFAOYSA-N 438.547 3.884 0 40 IHAB O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCN(Cc2c(F)cccc2Cl)CC1 23804898 IRDZETWJOVXTBP-IBGZPJMESA-N 432.923 3.995 0 40 IHAB Cc1ccccc1[C@H](OC[C@H](O)CN1C(=O)NC2(CCC(C)CC2)C1=O)c1ccccc1 24089765 PEEUPWIFUCEXOQ-ICQFARAXSA-N 436.552 3.963 0 40 IHAB COc1ccc(C)cc1NC(=O)C[C@@H]1C(=O)N(Cc2cccnc2)c2nc3ccccc3n21 30902149 GEFFHEXNJVANFQ-OAQYLSRUSA-N 441.491 3.865 0 40 IHAB O=C(Nc1ccc2oc(=O)ccc2c1)[C@@H]1CC(=O)N(c2ccccc2Br)C1 32093196 PIKDSGAYKORBAM-CYBMUJFWSA-N 427.254 3.547 0 40 IHAB COc1ccc(-c2nc(C(=O)N3CCC(c4nnc5ccccn45)CC3)cs2)cc1OC 32778010 VVVGMXASCGQGJE-UHFFFAOYSA-N 449.536 3.890 0 40 IHAB CCn1c2ccccc2c2cc(N[C@@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)ccc21 33040217 GUWGKMBNUUAPLZ-HNNXBMFYSA-N 436.537 3.901 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C 33088655 DUSDQSHUKOMWJE-UHFFFAOYSA-N 436.489 3.921 0 40 IHAB COc1cccc(S(=O)(=O)Nc2ccc(Nc3cc(-n4cccn4)nc(C)n3)cc2)c1 35597382 AEBHOUSMAVUVSU-UHFFFAOYSA-N 436.497 3.524 0 40 IHAB COC(=O)[C@@]1(Cc2ccc(O)c(CC=C(C)C)c2)OC(=O)C(OC)=C1c1ccc(O)cc1 36378995 FCSKUNOKIVAIKK-VWLOTQADSA-N 438.476 3.675 0 40 IHAB biogenic,in-vitro CC(C)(C)OC(=O)NCCC(=O)NC[C@H](c1ccccc1)N1CCc2sccc2C1 40108139 HNQBIAFNCJCDCH-LJQANCHMSA-N 429.586 3.879 0 40 IHAB Cc1cccc(NC(=O)N2CCC(C(=O)N3CCC(NC(=O)c4ccccc4)CC3)CC2)c1 40146591 WTSNKOPFBQVMOT-UHFFFAOYSA-N 448.567 3.660 0 40 IHAB COC(=O)c1ccc(C(=O)N[C@@H](C(=O)NCc2ccc(Cl)cc2)c2ccccc2)cc1 40148886 UZSOEXMVRVQGJX-OAQYLSRUSA-N 436.895 3.914 0 40 IHAB CCc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)N[C@@H](C)c1ccccc1 64580466 DRSHPGWDIIEVCB-INIZCTEOSA-N 437.565 3.918 0 40 IHAB Cc1nc(-c2cccc(Br)c2)ccc1C(=O)NCC(C)(C)N1CCOCC1 70012176 JRXOVQHXEDSLNH-UHFFFAOYSA-N 432.362 3.660 0 40 IHAB COc1cccc(CNC(=O)c2cn(-c3cc(-c4nc(C(C)(C)C)no4)ccn3)cn2)c1 71768391 HAUVHMQLORFVRP-UHFFFAOYSA-N 432.484 3.553 0 40 IHAB O=S(=O)(N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1)c1cc(Br)cnc1Cl 71818562 KGCPYSYJSKYVSR-HIFRSBDPSA-N 449.729 3.835 0 40 IHAB Nc1ncc(-c2cccc(F)c2)c([C@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)n1 72376932 HXVJEBWWRPJECS-LJQANCHMSA-N 430.480 3.920 0 40 IHAB COCc1nn2c(c1-c1ccccc1)NC(=O)[C@@H]2CC(=O)Nc1cc(Cl)ccc1OC 72453389 PKOURIHOHYTXAB-KRWDZBQOSA-N 440.887 3.881 0 40 IHAB COc1cccc(N2C[C@H](C(=O)N3CCC(CSc4nc(C)cs4)CC3)CC2=O)c1 90608112 CGUGZQSXVFMMJV-QGZVFWFLSA-N 445.610 3.844 0 40 IHAB CCN(CCCSc1nnc(-c2ccc(OC(F)F)cc2)n1N)CC(F)(F)F 96010378 OJCYFMUJLAHLNU-UHFFFAOYSA-N 425.427 3.627 0 40 IHAB Cn1c(=O)[nH]c(=O)c2c1nc(Sc1ccc(F)cc1)n2CCSc1ccc(F)cc1 96306455 OOEDVXVDLQOFGM-UHFFFAOYSA-N 446.504 3.645 0 40 IHAB N[C@@H](Cc1ccc(F)cc1)C(=O)NC[C@H]1CC[C@H](c2ccnc(Nc3ccccn3)n2)CC1 100708846 BBVQRJGUBKOXEV-ZVDOUQERSA-N 448.546 3.714 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccccc3-n3ccnc3)cc2)cc1 216312264 WLOIBYMVBOIJQH-UHFFFAOYSA-N 446.532 3.912 0 40 IHAB CCOC(=O)c1ccc(C)c(NC(=O)CCCN(c2ccc(C)cc2)S(C)(=O)=O)c1 219627067 AEHAQYKRSMQVHJ-UHFFFAOYSA-N 432.542 3.665 0 40 IHAB CC[C@H](NC(=O)CN(c1cccc(OC(C)C)c1)S(C)(=O)=O)c1ccc(OC)cc1 220113269 MKUCHNGYYLLXLL-NRFANRHFSA-N 434.558 3.516 0 40 IHAB COC(=O)c1cccc(NC(=O)[C@@H](C)N(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)c1 220255242 IDOJMNZTLDLRIL-LLVKDONJSA-N 445.324 3.573 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N(C)c2ccc(C)c(C)c2)C1 222550228 JUJHBTOROITPJE-LJQANCHMSA-N 430.570 3.684 0 40 IHAB CCc1ccc(N(CCCC(=O)NCCOc2ccc(Cl)cc2)S(C)(=O)=O)cc1 224746741 NSWAZTGFKOBNNS-UHFFFAOYSA-N 438.977 3.644 0 40 IHAB CCCn1c(=O)sc2cc(S(=O)(=O)NCc3cccc(C(F)(F)F)c3)ccc21 225736888 VAEPHROCCQGGNX-UHFFFAOYSA-N 430.473 3.970 0 40 IHAB COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)c1 225877987 UVTGGIQMNQNCPZ-KRWDZBQOSA-N 446.569 3.511 0 40 IHAB Cc1cc(Nc2ncccc2C)cc([C@H]2CN(CC(=O)Nc3ncc(C)s3)CCO2)n1 257209621 BREGGWBZZBQMTN-LJQANCHMSA-N 438.557 3.614 0 40 IHAB NC(=O)C[C@H]1CN(C(=O)c2ccc(F)c(Cl)c2)CC[C@@H]1Oc1cccc(Cl)c1 257278284 OBPAANLJRIWJEM-UGSOOPFHSA-N 425.287 3.918 0 40 IHAB COc1ccc(N([C@H](C)C(=O)N[C@H](CC(C)C)c2ccccc2)S(C)(=O)=O)cc1OC 260587907 BUALIQFRDLSDET-YLJYHZDGSA-N 448.585 3.762 0 40 IHAB CC[C@@H](C(=O)N[C@H](C)c1cc(OC)ccc1OC)N(c1ccc(C)c(C)c1)S(C)(=O)=O 260769762 QZSAKLMGKSVLCN-UTKZUKDTSA-N 448.585 3.743 0 40 IHAB CCc1ccc([C@@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)cc1 260772728 WCUXAFWVIBFSJC-OPAMFIHVSA-N 444.597 3.951 0 40 IHAB O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)Nc1c(F)cccc1F 408555707 HJJMGTUQBHDEEM-UHFFFAOYSA-N 444.459 3.734 0 40 IHAB COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)cc(C)cc3C)C2)c(OC)c1 408558518 JMVOGUNGDCOPQU-GOSISDBHSA-N 446.569 3.668 0 40 IHAB 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COc1ccc([C@@H]2CCCCCN2C(=O)Cn2cc(C(N)=O)c(-c3ccccc3)n2)cc1 553149763 LQEKXMULMXMRMS-QFIPXVFZSA-N 432.524 3.802 0 40 IHAB Cc1cc(-n2nc3cc(N)c(Br)cc3n2)c(C)cc1I 575414826 VCMMSBZLYXUQIE-UHFFFAOYSA-N 443.086 3.987 0 40 IHAB Cc1nc2n(c(=O)c1C)[C@H](CC(=O)Nc1ccccc1-c1cn3c(n1)CCCC3)CS2 575620787 SWUQCUOAPARACP-MRXNPFEDSA-N 435.553 3.736 0 40 IHAB Cc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3nc(-c4ccc5ccccc5n4)n[nH]3)C2)cc1 590407371 MKVPNPBIBMJNKP-LJQANCHMSA-N 440.507 3.819 0 40 IHAB CCOc1cc2c(cc1CNC(=O)N1CCC(CC(=O)NC3CCCC3)CC1)O[C@@H](C)C2 619657533 NDGCOHQRAYTDOY-KRWDZBQOSA-N 443.588 3.779 0 40 IHAB Cc1cc(NC(=O)c2cnn(-c3ccccc3C)c2C(F)(F)F)ccc1-n1cnnn1 642138314 JLYMZTIFMOOTFL-UHFFFAOYSA-N 427.390 3.736 0 40 IHAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)Oc2ccc3ccc(=O)oc3c2)c2ccccc2)cc1 628067 CALAKCFBSGTYPW-QHCPKHFHSA-N 449.484 3.727 0 40 IHAB O=C(CSc1nnc(-c2ccc(O)cc2)n1Cc1ccco1)NCCc1ccccc1 897477 VROTVOVXADPNOH-UHFFFAOYSA-N 434.521 3.743 0 40 IHAB CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1ccc2c(c1)OCO2 902827 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CCCCCCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)Nc3nnnn32)cc1OC 4424126 VLUBTUSTOSIHSP-HXUWFJFHSA-N 429.521 3.881 0 40 IHAB CCCCn1c(CCCOc2ccccc2OCC)nc2cc(S(N)(=O)=O)ccc21 6095153 QEQZVJOAUKYSTN-UHFFFAOYSA-N 431.558 3.894 0 40 IHAB CC(=O)c1ccc(NC(=O)CSc2nnc(NC(=O)c3ccc(F)cc3)s2)cc1 8823098 GUCOZXKGFYRTMV-UHFFFAOYSA-N 430.486 3.863 0 40 IHAB O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 9063638 PTABOQHRTHHIAK-NRFANRHFSA-N 439.531 3.585 0 40 IHAB CC(C)c1nccn1-c1ccc(NS(=O)(=O)c2cc3oc(=O)n(C)c3cc2Cl)cc1 9130240 AKWLIPHMAZCFHA-UHFFFAOYSA-N 446.916 3.895 0 40 IHAB CCOc1ccc(NC(=O)[C@@H]2Sc3nnc(C)n3N[C@@H]2c2ccc(OCC)cc2)cc1 9238921 PTWQQJZRDHQBRP-WOJBJXKFSA-N 439.541 3.782 0 40 IHAB CC[C@H]1CCc2sc(C(=O)OCc3nc4cc(C(=O)OC)ccc4c(=O)[nH]3)cc2C1 9253959 IAPCPZIWKXCQAK-LBPRGKRZSA-N 426.494 3.643 0 40 IHAB CCOc1ccccc1OCc1nn2c(-c3cc(OC)c(OC)c(OC)c3)nnc2s1 9432007 ZOAFCYJWWUHTGL-UHFFFAOYSA-N 442.497 3.856 0 40 IHAB Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccc3ccccc3c2O)c(=O)n(-c2ccccc2)n1C 9497538 FLIBMVXJWVVDKF-MRXNPFEDSA-N 445.475 3.527 0 40 IHAB CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(C(=O)OC)cc1 9499812 QPYAGDOIKOYFAY-UHFFFAOYSA-N 440.525 3.703 0 40 IHAB C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)C(c2ccccc2)c2ccccc2)C1=O 9703800 WFABTSRMLMPHFG-SANMLTNESA-N 427.504 3.793 0 40 IHAB COc1cc(CN(C)C(=O)Cc2n[nH]c(=O)c3ccccc23)ccc1OCc1ccccc1 9713937 YCFOLHWLHJJBGM-UHFFFAOYSA-N 443.503 3.712 0 40 IHAB C[C@@H]1CCN(C(=O)CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)c2ccccc2S1 9836726 BDDUEQVGNHQPNM-BEFAXECRSA-N 448.548 3.548 0 40 IHAB O=C(CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)Nc1ccc(N2CCCCC2)cc1 9909430 RBGWQXAVPOLZLQ-UHFFFAOYSA-N 442.523 3.670 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3SC)C2)cc1C 9974596 FXAYNPRONRCYNJ-MRXNPFEDSA-N 434.583 3.765 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 10332072 SDOXVCKFOIVIJA-UHFFFAOYSA-N 432.542 3.566 0 40 IHAB O=C(Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O)c1n[nH]c2ccccc12 12535310 DKFXDFUIHFABPF-UHFFFAOYSA-N 442.884 3.975 0 40 IHAB O=C(c1ccc(Cl)cc1F)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 12755907 BQUDIELRXDSTRL-UHFFFAOYSA-N 436.936 3.505 0 40 IHAB O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1cc(Cl)ccc1Cl 12798012 YRRCEYRQFZPSMA-FPYGCLRLSA-N 441.336 3.666 0 40 IHAB COC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@@H]1c1ccc(F)cc1F 12823115 NADLMXAYEGHCPY-LJQANCHMSA-N 432.448 3.619 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3nc4c(s3)C[C@H](C)CC4)C2)s1 12858209 HVSHUQRIZMCHFY-TZMCWYRMSA-N 439.628 3.677 0 40 IHAB CC1CCC2(CC1)NC(=O)N(NC(=O)CN[C@@H](C)c1ccc(-c3ccccc3)cc1)C2=O 12895723 WNWKMQUQGCAIQA-SGKRCEGKSA-N 434.540 3.536 0 40 IHAB Cc1ccc2nc(-c3ccccc3)cc(C(=O)N3CCC(C(=O)N4CCOCC4)CC3)c2c1 12918970 WTQMHLTYZIWLPR-UHFFFAOYSA-N 443.547 3.921 0 40 IHAB C[C@H](Sc1ccccc1C(=O)OCC(=O)C(C)(C)C)C(=O)Nc1ccc(C(N)=O)cc1 12975818 AGWHFMJHPHAOOD-AWEZNQCLSA-N 442.537 3.677 0 40 IHAB CCOc1cc2c(cc1NC(=O)c1cc(C)c(C)c(S(=O)(=O)N(C)C)c1)O[C@H](C)C2 12978474 YICQKHGXPIJVIL-CQSZACIVSA-N 432.542 3.528 0 40 IHAB CCc1nc2ccccc2c(C)c1C(=O)OCC(=O)NCCc1ccc(OC)c(OC)c1 12978953 ULMRUVIOWZENJK-UHFFFAOYSA-N 436.508 3.639 0 40 IHAB O=C(Nc1ccccc1Br)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 12980080 CPBIVUDTJBOJCK-GFCCVEGCSA-N 429.361 3.550 0 40 IHAB C[C@@H]1CN(C(=O)CCc2nc3cc(Cl)ccc3n(Cc3ccccc3)c2=O)C[C@@H](C)O1 13016858 KGIMSBGGEBVAFJ-IAGOWNOFSA-N 439.943 3.667 0 40 IHAB CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)c1nn(-c2cccc(Cl)c2)nc1C 13108417 QEJSHRRHJZAZMQ-UHFFFAOYSA-N 446.338 3.661 0 40 IHAB CCOC(=O)C1CCN(c2ccc(NCc3cc4ccc(OC)cc4[nH]c3=O)cc2)CC1 13563091 MBZGZIZBDSZLTE-UHFFFAOYSA-N 435.524 3.928 0 40 IHAB O=C(CN1CCN(c2ccccn2)CC1)Nc1cc(-c2ccccc2)nn1-c1ccccc1 14022829 ZHPYEBFTDDMAAI-UHFFFAOYSA-N 438.535 3.695 0 40 IHAB CNc1nnc(S[C@@H](C)C(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)s1 14069790 YFABAAGLUDFDFS-LBPRGKRZSA-N 443.554 3.960 0 40 IHAB CC[C@@H](C)n1c(S[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)nc2ccccc2c1=O 14108857 IHPBJRLMNCVUHT-HUUCEWRRSA-N 439.537 3.893 0 40 IHAB CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 14117102 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3.850 0 40 IHAB COc1cccc([C@@H]2CN(C(=O)CN3CCC[C@H]4CCCC[C@@H]43)C[C@H]2c2csnn2)c1 19566055 QMJIMUCGQNPFAB-DKOYFPBOSA-N 440.613 3.911 0 40 IHAB Nc1ncc(-c2ccc(C3CCN(C(=O)CCc4c[nH]c5ccccc45)CC3)nc2)cn1 19688009 CVSVWJKRNCJUHW-UHFFFAOYSA-N 426.524 3.941 0 40 IHAB CNc1nc([C@H]2CCCN2)nc2c1CCN(C(=O)C1(c3ccc(OC)cc3)CCCCC1)C2 19707283 OFZPIIVAJJHFMD-OAQYLSRUSA-N 449.599 3.738 0 40 IHAB O=C(N[C@@]1(C(F)(F)F)N=C(c2ccccc2)N(Cc2ccco2)C1=O)c1ccc(F)cc1 19938883 WGCMQMAODSUUBH-NRFANRHFSA-N 445.372 3.896 0 40 IHAB Cc1ccc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)CCCc3ccccc3)CC2)cc1 20485330 HWVYIBUODVTDQL-HXUWFJFHSA-N 428.598 3.847 0 40 IHAB O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)C(c1ccccc1)c1ccccc1 20768296 YSTPMJZRMOYADS-UHFFFAOYSA-N 434.561 3.919 0 40 IHAB COc1ccc(-c2csc(CN3CCN(C(=O)COc4ccccc4F)CC3)n2)cc1 21687781 KSFAOHYRKSVRNT-UHFFFAOYSA-N 441.528 3.681 0 40 IHAB CC(C)n1cnc2nc(COc3cccc(NC(=O)c4ccccc4Cl)c3)cc(=O)n21 21796834 CLLFCHPEOPWCLO-UHFFFAOYSA-N 437.887 3.957 0 40 IHAB COc1ccc(NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(OC)cc2)cc1 22380993 KVDPCERNUMBIDQ-UHFFFAOYSA-N 444.484 3.677 0 40 IHAB COC(=O)c1ccc(C)c(NC(=O)CN2CCN(Cc3csc4ccccc34)CC2)c1 22932079 JGNULVLXKZPSRM-UHFFFAOYSA-N 437.565 3.753 0 40 IHAB O=C1C[C@H](C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)c2ccc(F)cc2N1 25899125 OSQZDQYRBVDBLW-AWEZNQCLSA-N 425.441 3.785 0 40 IHAB CC1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)C2)CC1 26110405 XZSUBHOOZQMVOD-OAHLLOKOSA-N 433.401 3.794 0 40 IHAB COC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C)cc2)c1 28466795 TYUZIVBNFWNOHO-UHFFFAOYSA-N 438.505 3.859 0 40 IHAB COc1cc(OC)c(N2C[C@H](C(=O)NCCCOC3CCCCC3)CC2=O)cc1Cl 32820874 WTVPCDPOPDTINA-OAHLLOKOSA-N 438.952 3.566 0 40 IHAB Cc1cc(Br)ccc1SCC(=O)NCc1ccc(Cn2cncn2)cc1 32868978 QNTFOLSKCSMKKP-UHFFFAOYSA-N 431.359 3.806 0 40 IHAB Cc1cc(Cl)c(C)c(S(=O)(=O)NCc2ccc(Cn3cncn3)cc2)c1Cl 32885539 UMRBOYBUBAIIBP-UHFFFAOYSA-N 425.341 3.729 0 40 IHAB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC[C@@H](c1ccco1)N(C)C 32967251 UEBQQCGGZCHHBI-WMZOPIPTSA-N 426.344 3.760 0 40 IHAB COc1cc(C(=O)NCCN2C(=O)S/C(=C/c3ccccc3)C2=O)cc(Cl)c1OC 33476684 FQTACBQIKYEQSZ-LICLKQGHSA-N 446.912 3.824 0 40 IHAB COc1cccc(-n2c(SCC(=O)NCc3cccs3)nnc2-c2ccccn2)c1 35288993 JNHQFERQXNGFCC-UHFFFAOYSA-N 437.550 3.808 0 40 IHAB O=C(O)c1cc(N2C(=O)/C(=C/c3ccc(Br)o3)SC2=S)ccc1O 35648579 IPFZWKPWHMRFHM-WDZFZDKYSA-N 426.269 3.852 0 40 IHAB O=C(Cn1cc(/C=C2\NC(=S)N(c3ccccc3)C2=O)c2ccccc21)NC1CCCC1 39556463 GXGMAETUQOJLNF-STZFKDTASA-N 444.560 3.962 0 40 IHAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)Nc1cc(CC2CCCCC2)n[nH]1 40156143 YSXIRLNBTJVSHI-UHFFFAOYSA-N 435.454 3.787 0 40 IHAB C[C@H](NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2ccccc2O1)c1ccc(C(C)(C)C)cc1 44906166 SZHJSTVQIPWRNS-KKSFZXQISA-N 430.570 3.779 0 40 IHAB CCSc1nc2c(c(=O)[nH]1)[C@@H](c1cccc(Br)c1)C(C(=O)OC)=C(C)N2 44973638 YYSVDTKWYJAMDO-ZDUSSCGKSA-N 436.331 3.649 0 40 IHAB Cc1nc2cc(C(=O)N3C[C@@H](C(=O)N(C)C)Oc4ccccc43)ccc2n1-c1ccccc1 48249570 TZMKETINOKOKBB-DEOSSOPVSA-N 440.503 3.830 0 40 IHAB O=C(NC[C@@H]([C@H]1CCOC1)N1CCCC1)Nc1cccc(NC(=O)c2cccs2)c1 58167345 ASJZOEWOQOKTKL-LPHOPBHVSA-N 428.558 3.623 0 40 IHAB O=C(CSc1ccccn1)Nc1ccc2nc(SCC(=O)NC3CC3)sc2c1 59459228 MAFWFZQOONPSFZ-UHFFFAOYSA-N 430.580 3.793 0 40 IHAB COc1cc(NC(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)c(C(=O)N(C)C)cc1OC 60300409 IYTJOSYSUWTJLB-CABCVRRESA-N 447.329 3.910 0 40 IHAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCCCOC3CCCC3)c2)cc1 61259929 INILDTPRZHDBDJ-UHFFFAOYSA-N 430.570 3.899 0 40 IHAB CN1C(=O)CC[C@H](c2nc(-c3ccc(OCc4cccnc4)cc3)no2)[C@@H]1c1cnn(C)c1 72289744 PKQZWCCWQMZPAM-UNMCSNQZSA-N 444.495 3.521 0 40 IHAB Cn1cc(CN2CCC[C@@H]([C@H](NC(=O)[C@@H]3CCCO3)c3ccccn3)C2)c2ccccc21 72330579 BJNYRELVDANSQB-NGXZDTIWSA-N 432.568 3.822 0 40 IHAB COc1ccc(CC(=O)N2CCC[C@@H](c3nc(N)ncc3-c3ccc(OC)cc3)C2)cc1 72346075 IMUBQLLAOQCTCL-LJQANCHMSA-N 432.524 3.692 0 40 IHAB C[C@H](Cc1cccs1)C(=O)N1CCC([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)CC1 72395615 JVZWQASDXOIOPB-UHOFOFEASA-N 427.496 3.745 0 40 IHAB O=C(Nc1cc(N2CCN(Cc3ccccc3)CC2)ncn1)c1cc(-c2cccs2)on1 77100913 KPPUNKSTBMEIEU-UHFFFAOYSA-N 446.536 3.768 0 40 IHAB Cc1cccc(N2CCN(C(=O)c3nnn(-c4ccccc4F)c3-c3ccccn3)CC2)c1 77199884 JGZRHAXUWCYHTH-UHFFFAOYSA-N 442.498 3.739 0 40 IHAB COCCOc1ccccc1NC(=O)C(=O)N1CCC[C@H]1c1cccc(Br)c1 79023422 VALPNOKWTMXENM-SFHVURJKSA-N 447.329 3.777 0 40 IHAB O=C(CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)NCc1ccco1 85878043 GVDFDCKHEZFSBA-UHFFFAOYSA-N 438.487 3.874 0 40 IHAB biogenic O=C(N[C@@H]1CC(=O)N(CC(F)(F)F)C1)[C@H]1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 95465237 WNJGZCJKPUKVNI-RDBSUJKOSA-N 442.869 3.770 0 40 IHAB CC(C)C(=O)N1CCc2nc3cc([C@H]4CCCCN4Cc4ccsc4)nn3c(O)c2C1 100233872 CULVNRZOWNJMPW-HXUWFJFHSA-N 439.585 3.764 0 40 IHAB O=C(O)c1ccccc1Nc1cnn(C23C[C@@H]4CC(C[C@H](C4)C2)[C@@H]3C(=O)O)c(=O)c1Cl 101207439 ZVONFCMRICKDCF-YSKQSBGCSA-N 443.887 3.575 0 40 IHAB CCCn1c(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs/c1=N/c1ccccc1 101336760 BWGBIVCFLYGZQX-GHVJWSGMSA-N 443.594 3.880 0 40 IHAB O=C(NC1CCCC1)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CCCC2 102338924 NREUYICLZRUXEU-LUVWLHFXSA-N 428.554 3.761 0 40 IHAB O=C(O)COc1ccc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)cc1Cl 106766973 BEKUJYVTSATHNM-BOPFTXTBSA-N 433.869 3.919 0 40 IHAB CC(=O)O[C@H]1C[C@@]2(O)[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@H]1c1ccc(=O)oc1 141529012 VOZHMAYHYHEWBW-RNUIVWDTSA-N 444.568 3.784 0 40 IHAB CCOc1cccc(NC(=O)C2CCN(S(=O)(=O)CCCc3ccccc3)CC2)c1 218786266 KTIALMFUHJPYJE-UHFFFAOYSA-N 430.570 3.698 0 40 IHAB Cc1ccc([C@@H](C)NS(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)c(C)c1 223147006 PMAYOPRIFZDLTH-OAHLLOKOSA-N 430.555 3.755 0 40 IHAB COc1ccc(CNS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)c2ccccc2)cc1 223266861 ZPTDUSIQGYMVEO-QGZVFWFLSA-N 436.533 3.765 0 40 IHAB COc1cccc(OC)c1CN(C)C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 224087236 OFPLUWONIRTIMG-UHFFFAOYSA-N 446.550 3.838 0 40 IHAB CC[C@@H](C(=O)NCCOc1ccc(C)c(Cl)c1)N(c1ccccc1F)S(C)(=O)=O 224176255 DPAOPCQDLHCELZ-SFHVURJKSA-N 442.940 3.527 0 40 IHAB COc1cccc(CN(C(=O)COc2ccc(C)c(C)c2)[C@@H](C)C(=O)NCC(C)C)c1 224441369 GRDYXXFCCWANRV-FQEVSTJZSA-N 426.557 3.880 0 40 IHAB CS(=O)(=O)N(CC(=O)NCCSc1ccc(Cl)cc1)Cc1ccccc1Cl 224741132 HASKYAIBKNRJBB-UHFFFAOYSA-N 447.409 3.664 0 40 IHAB COC(=O)CN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc(OC)cc1 224861569 BBKMTBCJBBFAOJ-UHFFFAOYSA-N 441.505 3.643 0 40 IHAB S=C(NC[C@@H]1CCCO1)Nc1nc(N2CCCCCC2)cc(N2CCCCCC2)n1 225909187 SWDKSVDHCDPSRL-SFHVURJKSA-N 432.638 3.703 0 40 IHAB O=C1NC(=S)NC(=O)C12[C@@H](c1ccccc1Cl)C[C@H](O)C[C@H]2c1ccccc1Cl 248004666 SLPDYKWWIFNZBN-SHHSBJBSSA-N 449.359 3.533 0 40 IHAB COc1cccc(OC)c1C(=O)N1CCO[C@H](c2cccc(Nc3nc(C)cs3)n2)C1 257206335 BCXHPSAOMYZCPS-SFHVURJKSA-N 440.525 3.821 0 40 IHAB O=C(c1ccnc(N2CCOCC2)c1)N1C[C@H]2[C@@H](Oc3ccc(Cl)cc3)CC[C@H]2C1 257226602 FLIDIZAQIQCXAY-WMQCIHAUSA-N 427.932 3.501 0 40 IHAB CNc1cc([C@@]2(C)CCCN(C(=O)C3(c4cccc(F)c4)CCOCC3)C2)nc(C)n1 257254587 KDTPGBPAGOGNLP-QHCPKHFHSA-N 426.536 3.594 0 40 IHAB Cc1cccnc1Nc1ccc([C@@H]2CN(S(=O)(=O)Cc3cccc(F)c3)CCO2)nc1 257284332 PCGJXPBNOACAPO-NRFANRHFSA-N 442.516 3.571 0 40 IHAB C[C@@]1(C2CCN(Cc3ccccc3OCC(=O)O)CC2)CN(Cc2ccccc2)C(=O)O1 257343238 ZSBAYSVUOSHAIJ-VWLOTQADSA-N 438.524 3.773 0 40 IHAB Cc1cccc(CNC(=O)c2ccccc2NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c1 408615309 OQQAUXQYBYULAQ-HXUWFJFHSA-N 427.504 3.917 0 40 IHAB Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC=C[C@H](C)[C@H]4C3=O)cc2)c(C)c1 408661182 MDWBWWMRURTTOJ-LERMDLETSA-N 446.503 3.801 0 40 IHAB Cc1cccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3c(C)cccc3C)n2C)c1 409131169 KAEVGMQWXHXMAQ-KRWDZBQOSA-N 437.569 3.962 0 40 IHAB Cn1ccnc1N1CCC(NC(=O)C(C)(C)c2csc(-c3ccccc3F)n2)CC1 506146535 DFPCIYPLXOZYRT-UHFFFAOYSA-N 427.549 3.746 0 40 IHAB CC(=O)N1N=C(S(C)(=O)=O)[C@@H](c2ccccc2)n2ncc(-c3ccc(Cl)cc3)c21 1548338191 CXNUZQOAKGFKJU-GOSISDBHSA-N 428.901 3.518 0 40 IHAB Cn1cncc1CN1CCC(N2C(=O)NCCc3ccccc3[C@@H]2c2ccccc2)CC1 1615530309 UOJCTMOUNJTHTR-VWLOTQADSA-N 429.568 3.742 0 40 IHAB O=C(Nc1cccc(-c2ccc(F)c(F)c2)c1)N1CCC[C@@H](N2CCCS2(=O)=O)C1 1670058937 LZHSGVBVILSRLK-GOSISDBHSA-N 435.496 3.664 0 40 IHAB O=C(CSc1nnc2n(C3CCCCC3)c(=O)c3ccccc3n12)NCc1ccccc1 1331602 PJKZKTYRKUHKQB-UHFFFAOYSA-N 447.564 3.958 0 40 IHAB CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(C)cc(=O)oc2c1 2096181 GOPRETXYMFPZDN-QRQCRPRQSA-N 443.521 3.708 0 40 IHAB biogenic CCc1ccc(CN(C(=O)[C@H](C)Oc2ccc(C)c(C)c2)[C@@H]2CCS(=O)(=O)C2)cc1 2348632 QWKCNUFXNHPOQF-SIKLNZKXSA-N 429.582 3.849 0 40 IHAB O=S(=O)(c1ccc2ccccc2c1)N1CCN(C(=S)Nc2ccc(F)cc2)CC1 3330104 VHBXCJXICHLNIV-UHFFFAOYSA-N 429.542 3.682 0 40 IHAB aggregator COc1ccc(CNC(=O)CSc2nnc(-c3ccccc3Br)o2)cc1 3412579 KPRXFBWBTGOPOZ-UHFFFAOYSA-N 434.315 3.916 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(OCc3cc(=O)n4cc(C)ccc4n3)cc2)cc1 3427933 DEYZQRDLGZNUPB-UHFFFAOYSA-N 449.532 3.715 0 40 IHAB CCOC(=O)CN(C(=O)CSc1nnc(-c2ccc(C)cc2)o1)c1ccc(F)cc1 6546377 RFSNZSBWBGEMKV-UHFFFAOYSA-N 429.473 3.873 0 40 IHAB C[C@@H](Sc1nc2ccccc2c(=O)n1Cc1ccncc1)C(=O)N1CCc2ccccc21 8901436 IOJUEUMNDPPMJX-QGZVFWFLSA-N 442.544 3.910 0 40 IHAB COC(=O)C1CCN(C(=O)Cc2c(C)c3c(cc(C)c4c(C)c(C)oc43)oc2=O)CC1 9049881 DRPMGAQWFPHFHR-UHFFFAOYSA-N 425.481 3.727 0 40 IHAB Cc1c(C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@H]2CCCO2)oc2c(F)cccc12 9253087 IKJAAPIYTBNSRM-OAHLLOKOSA-N 435.455 3.938 0 40 IHAB O=C(Nc1ccc2c(c1)OCCCO2)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 9255000 HYOBIWXBWKEIML-UHFFFAOYSA-N 436.917 3.538 0 40 IHAB CCc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccccc3Cl)c(=O)n2C)cc1 9281438 LEYOASWDSNWBTM-UHFFFAOYSA-N 449.942 3.703 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc2ccccc2oc1=O 9588183 FNXSYWBCFORZOR-UHFFFAOYSA-N 426.494 3.528 0 40 IHAB O=C(NCCC1=CCCCC1)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 9671573 IQDLSCOWYVDMHL-UHFFFAOYSA-N 442.537 3.879 0 40 IHAB COc1ccc(C(=O)Nc2nc(-c3cccs3)cs2)cc1S(=O)(=O)N1CCCC1 9703917 MELCJGIYWRLAMY-UHFFFAOYSA-N 449.579 3.917 0 40 IHAB Cn1ccnc1SCC(=O)Nc1ccc(C(=O)Nc2ccccc2N2CCCC2=O)cc1 9714475 GOWZNBYBGKRSRF-UHFFFAOYSA-N 449.536 3.530 0 40 IHAB Cc1cc2c(=O)n(Cc3ccco3)c(SCC(=O)Nc3ccccc3O)nc2s1 9970682 PGHSOMYLDFPWQV-UHFFFAOYSA-N 427.507 3.844 0 40 IHAB CCC(=O)c1cc2c(cc1NC(=O)c1cccc(I)c1)OCCO2 9972082 ZBXCGZHQGFOZPM-UHFFFAOYSA-N 437.233 3.907 0 40 IHAB O=C([C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1)N1CCCc2ccccc21 10449608 DDUSRQUEXRXSMR-QHCPKHFHSA-N 434.517 3.622 0 40 IHAB CCOc1ccc(-n2c(SCC(=O)NC[C@@H]3CCCO3)nnc2-c2ccccc2)cc1 11197342 GNOUYFHUBFOOIY-FQEVSTJZSA-N 438.553 3.720 0 40 IHAB Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)O[C@@H](C)C(=O)NCc1cccs1 12019020 LEIKDBXBXATMST-ZDUSSCGKSA-N 435.908 3.956 0 40 IHAB COc1ccc(C2(NC(=O)c3cccc(N4CCCCS4(=O)=O)c3)CCCC2)cc1 12143116 QYFQLLLUKJJMEW-UHFFFAOYSA-N 428.554 3.825 0 40 IHAB O=C(Cc1c[nH]c2ccccc12)N1CCC(c2ccnc3nc(C(F)(F)F)nn23)CC1 12158928 XYWNHXJPCBECLE-UHFFFAOYSA-N 428.418 3.573 0 40 IHAB Cc1cc(-c2cnc(N3CCOCC3)nc2[C@@H]2CCCN(C(=O)C3CCCCC3)C2)on1 12184137 IGFCZMHIMCQOPD-LJQANCHMSA-N 439.560 3.563 0 40 IHAB CN(Cc1ccc(Br)cc1)C(=O)CN1CCC[C@H](C(=O)Nc2ccccc2)C1 12327002 WHEHKTFQUVSOKI-SFHVURJKSA-N 444.373 3.758 0 40 IHAB Cc1cccc2cc([C@@H](c3nnnn3CCc3ccccc3)N3CCC[C@H](C)C3)c(=O)[nH]c12 12637558 IYAMYDGJJLKJQR-UUOWRZLLSA-N 442.567 3.887 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)/C=C/c2cc(C)ccc2OC)c1 12772193 DALSBOCWNQWYFR-UKTHLTGXSA-N 432.542 3.695 0 40 IHAB CC[C@H](C)N(Cc1ccccc1)C(=O)/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1 12796228 NMMVISCETJKKOS-IXDOJHRFSA-N 442.581 3.548 0 40 IHAB COc1cc(Cl)c(C)cc1N1C(=O)C[C@H](N2CCN(c3ccccc3Cl)CC2)C1=O 13041878 VAYMJXGNIUUPSG-IBGZPJMESA-N 448.350 3.765 0 40 IHAB O=C(OCc1cc(Cl)cc2c1OCOC2)c1ccc2c(=O)n3c(nc2c1)CCCCC3 13145494 ASBCIWKUIZSEOX-UHFFFAOYSA-N 440.883 4.000 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCc3ccc4c(c3)OCO4)ccc2C)cc1 13679661 UWJORCIOMBTBSY-UHFFFAOYSA-N 438.505 3.763 0 40 IHAB Cc1cccc(NC(=O)CSCC(=O)OCC(=O)c2ccc(Br)cc2)c1 13895197 SQUVNDJZGTWRBY-UHFFFAOYSA-N 436.327 3.855 0 40 IHAB CCn1c(SCC(=O)NCc2ccc(Cn3cccn3)cc2)nnc1-c1ccccc1C 14141826 JWSLYLUSDIFDEC-UHFFFAOYSA-N 446.580 3.927 0 40 IHAB O=C(NCCC(=O)N1CCN(Cc2cccc3ccccc23)CC1)c1ccc(F)cc1F 15092605 RKMKKTRDOSBCNK-UHFFFAOYSA-N 437.490 3.582 0 40 IHAB CSc1cc(C(=O)c2ccccc2O)cn2c(=O)c3c(C)c(C(=O)O)sc3nc12 16046046 YWTRKAWCBIZLJX-UHFFFAOYSA-N 426.475 3.574 0 40 IHAB COc1ccc(CNC(=O)Cc2csc(NC(=O)Nc3ccccc3OC)n2)cc1 16047509 MZMJOYNDLJBAJA-UHFFFAOYSA-N 426.498 3.663 0 40 IHAB CCn1cncc1C(=O)N1CC[C@@](Cc2ccc(-c3ccsc3)cc2)(C(=O)N(C)C)C1 19578345 YTBXQIPVIWLRCG-DEOSSOPVSA-N 436.581 3.795 0 40 IHAB COc1ccc(CN2CCN(C)C(=O)[C@H](Cc3ccc(-c4ccncc4)cc3)C2)cc1OC 19589492 GSHJIFVFEKAGHR-XMMPIXPASA-N 445.563 3.899 0 40 IHAB COc1ccc(NC(=O)Cn2cc(C(=O)c3ccccc3)c(=O)c3cc(OC)ccc32)cc1 20326557 LKNBNJCFXKLLPX-UHFFFAOYSA-N 442.471 3.888 0 40 IHAB COc1ccc(CNC(=O)c2ccc3c(O)nc4c(-c5ccccc5)nnn4c3c2)cc1 21867038 UJPRUUPKDXVYTJ-UHFFFAOYSA-N 425.448 3.589 0 40 IHAB C[C@H]1CCCN(Cc2ccc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2)C1 22530792 KSIJGBHKHHVRBM-FQEVSTJZSA-N 435.568 3.605 0 40 IHAB COc1ccc(CCNC(=O)C2CCN(c3ccc(-c4ccccc4)nn3)CC2)cc1OC 23143079 LNHOXYUAUXVDMI-UHFFFAOYSA-N 446.551 3.736 0 40 IHAB COc1cccc(-c2nc(CSc3nnc(SCC(N)=O)s3)cs2)c1OC 24660195 RNQFNRPEQCDXKH-UHFFFAOYSA-N 440.597 3.549 0 40 IHAB Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)N[C@@H](C)c2ccccc2Br)cc1 24922956 YRFJKJHEBUJVFQ-JKSUJKDBSA-N 432.362 3.894 0 40 IHAB Clc1ccc(Nc2nc(Nc3ccc4c(c3)OCO4)nc(N3CCOCC3)n2)cc1 27546356 MTUHLAIITMTSHZ-UHFFFAOYSA-N 426.864 3.578 0 40 IHAB Nc1nn(CC(=O)c2cc(C(F)(F)F)ccc2Cl)c(=S)n1Nc1ccncc1 28535045 YGNGIABWLSHKHM-UHFFFAOYSA-N 428.827 3.822 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc(NC(N)=O)c3)c2)cc1F 29153019 PCCJKEALAZYXMN-UHFFFAOYSA-N 442.472 3.678 0 40 IHAB COc1ccc(CNC(=O)c2nc(-c3ccc(COc4c(C)occc4=O)cc3)no2)cc1 32101183 KCEVYWMFLRGOHV-UHFFFAOYSA-N 447.447 3.516 0 40 IHAB Cn1ccnc1C(=O)c1ccc(NC(=O)c2ccccc2I)cc1 32721730 SCCURGJGNMBGEP-UHFFFAOYSA-N 431.233 3.508 0 40 IHAB O=c1c2ccccc2c(-c2nc(-c3ccc4c(c3)OCO4)no2)nn1-c1ccc(F)cc1 38486465 VNPBTQRQOSUAKC-UHFFFAOYSA-N 428.379 3.971 0 40 IHAB COC(=O)CCCCCNC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(Br)cc1 40268609 ATGWAHWFXGRSNS-IBGZPJMESA-N 449.349 3.563 0 40 IHAB O=C(c1ccco1)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 43546656 ZLODGQSEXIHXBD-LRSLUSHPSA-N 428.419 3.817 0 40 IHAB O=C([C@H]1CCC[C@@H](C(F)(F)F)C1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 46896386 UGGBCGVFQRHIKT-UONOGXRCSA-N 438.899 3.542 0 40 IHAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc4c(c3)C(=O)N3CCCC[C@H]3CCO4)CC2=O)cc1 49030384 VZGZZJNGJVZKGQ-QUCCMNQESA-N 447.535 3.764 0 40 IHAB O=C(CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1)Nc1ccc(F)cc1Cl 51316711 DVYDXRDLKNTQEM-UHFFFAOYSA-N 429.864 3.632 0 40 IHAB COC(=O)[C@H](c1ccc(F)cc1)N1CCN(c2nc(C(F)(F)F)nc3ccccc23)CC1 57996023 RJXTTZQVMKPTJF-SFHVURJKSA-N 448.420 3.824 0 40 IHAB CC[C@H](C)n1c(SCC(=O)N[C@H](C)c2ccc(OC)cc2)nc2cc(C)[nH]c2c1=O 67239262 CTGUTLVCZTUOFT-LSDHHAIUSA-N 428.558 3.982 0 40 IHAB CN(C)[C@@H](CNC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1cccc(F)c1 69366571 DJSOGJVFSWXGMX-KXBFYZLASA-N 437.437 3.617 0 40 IHAB CCOC(=O)c1ccn(-c2cccc(NC(=O)N3CCN(C)C[C@H]3c3ccccc3)c2)n1 69776831 NXCUVLGVZBNWCK-QFIPXVFZSA-N 433.512 3.570 0 40 IHAB CC(C)Oc1ccc(F)cc1NC(=O)N1CCC(C(=O)NCC(C)(C)CN(C)C)CC1 72289449 GGUDTDUQNUATDV-UHFFFAOYSA-N 436.572 3.561 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3cc(C(F)(F)F)n4nc(C)cc4n3)C2)cc1 72340899 OSTOWVLRTAWRLG-OAHLLOKOSA-N 438.475 3.933 0 40 IHAB CNC(=O)c1sc2ccccc2c1C[C@H]1CCCCCN1C(=O)c1cn2cccnc2n1 72370682 RENKGFSXMFHYSY-MRXNPFEDSA-N 447.564 3.931 0 40 IHAB CC(C)c1ccc(S(=O)(=O)N2CCC3(CC2)COCCN(Cc2ccncc2)C3)cc1 96239956 SVKSFMAIXQGWPB-UHFFFAOYSA-N 443.613 3.508 0 40 IHAB CCOc1ccc(N(CC(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)S(=O)(=O)c2ccccc2)cc1 100601803 ATDDJUNKFWSNRI-HMFYCAOWSA-N 428.554 3.585 0 40 IHAB CCCc1cc(=O)oc2cc(C)cc(O[C@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)c12 100767806 AUOQTWUVJWASOW-ZACQAIPSSA-N 429.513 3.828 0 40 IHAB CC1(C)C[C@H]2C[C@@](C)(CN2[C@@H](C(=O)O)c2c[nH]c3ccc(NC(=O)/C=C/C(=O)O)cc23)C1 107966481 VZCFUIKILGYNGM-LSQNTNRSSA-N 439.512 3.774 0 40 IHAB Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)N(c1cccc(F)c1)S(C)(=O)=O)CC(C)(C)O2 220488719 XPDVKCBBNIHNND-BEFAXECRSA-N 434.533 3.707 0 40 IHAB CC[C@H](C(=O)Nc1ccc(Br)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O 220637556 JAQZGMYFYLDLIT-QGZVFWFLSA-N 441.347 3.641 0 40 IHAB CSc1ccc(S(=O)(=O)NCCOc2cccc(C)c2C)cc1NC(=O)C(C)C 223970221 IBRNBIUFUKSKLX-UHFFFAOYSA-N 436.599 3.977 0 40 IHAB COc1ccc(OC)c(CNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3C)c2)c1 224075966 SWMCBLXNLWUBMC-UHFFFAOYSA-N 440.521 3.743 0 40 IHAB CCCc1ccc(OCCNC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)cc1 224149196 QVXXHKCXHSXYIG-UHFFFAOYSA-N 436.549 3.520 0 40 IHAB COc1ccc(OC)c(NC(=O)c2ccc(CN(C)S(=O)(=O)c3ccccc3)cc2)c1 224406472 NMCWPALTGIZUDF-UHFFFAOYSA-N 440.521 3.777 0 40 IHAB O=C(NCC1CCCCC1)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2cc(Cl)ccc2O1 224503913 JWKPPHZQXCOKQU-NRFANRHFSA-N 448.972 3.993 0 40 IHAB COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)COc2ccc(C)cc2)cc1 224570399 OZCNTFPSWMZYMC-UHFFFAOYSA-N 426.494 3.822 0 40 IHAB COc1ccccc1N(Cc1ccc(C(=O)NCC2=CCCCC2)cc1)S(C)(=O)=O 224740577 WSTYZIRQMFYIDE-UHFFFAOYSA-N 428.554 3.892 0 40 IHAB O=C(c1ccc(Oc2nccs2)cc1)N1CC(n2cc(COc3ccccc3)nn2)C1 225628379 TXXXVXBXPCCSHK-UHFFFAOYSA-N 433.493 3.803 0 40 IHAB CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](Oc2ccccc2)[C@@H](N2CCC(F)(F)CC2)[C@@H]1O 257275437 NPKDWDYWDRNKFR-NCXUSEDFSA-N 426.504 3.582 0 40 IHAB COc1ccc(Cl)cc1N([C@@H](C)C(=O)N[C@H](C)CCc1ccccc1)S(C)(=O)=O 260455479 WHLBBUQFHKRNPM-CVEARBPZSA-N 438.977 3.641 0 40 IHAB Cc1ccc(C)c(N([C@H](C)C(=O)NCCOc2ccccc2C(C)(C)C)S(C)(=O)=O)c1 260926479 IWOOVTHKGAIPEW-LJQANCHMSA-N 446.613 3.951 0 40 IHAB c1csc(CN2CCN(CC3CC3)[C@H](c3cn4c(N5CCOCC5)cccc4n3)C2)c1 306125941 DGNYXVQSWMPMSO-QFIPXVFZSA-N 437.613 3.501 0 40 IHAB CC(C)n1cc(CN2CCN(CC3CC3)[C@@H](c3cn4c(N5CCCC5)cccc4n3)C2)cn1 306136176 PLOQQYSXYXHXSG-XMMPIXPASA-N 447.631 3.981 0 40 IHAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCc4ccccc4C3)C2)c(C)c1 408562289 YSDQCTSQBAJDQI-JOCHJYFZSA-N 426.582 3.597 0 40 IHAB COCCCNC(=O)c1nc(-c2ccc(Br)cc2)n(-c2cccc(C)c2)n1 408692673 RYOHOWULJPEMDP-UHFFFAOYSA-N 429.318 3.772 0 40 IHAB COc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(C(C)C)ccc3OC)C2)c1 408701355 WPTCDTBRDDCXMG-SFHVURJKSA-N 446.569 3.867 0 40 IHAB COCCCN1C(=O)S/C(=C/c2ccccc2OCC(=O)Nc2ccccc2)C1=O 409244863 JUMMUAAXCCBAQF-XMHGGMMESA-N 426.494 3.777 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)N(CC2(CO)COC2)c2cccc(C(F)(F)F)c2)c1 531884192 WGGCJDSUYVTSQU-UHFFFAOYSA-N 429.460 3.526 0 40 IHAB CCc1ccc2c(c1)Cc1cccc(c1)CN(C(=O)CCc1cnn(C)c1)CCOCCO2 643573458 FJWPZJXJOIQKIZ-UHFFFAOYSA-N 447.579 3.944 0 40 IHAB CCC(=O)N1CC[C@H]2CCC[C@@H](CN(C(=O)C[C@H]3CCCCO3)Cc3ccccc31)N2C 643577261 CKRLPHNXNMJDJA-XPWALMASSA-N 441.616 3.974 0 40 IHAB O=C1Nc2ccccc2C[C@H]1CCC(=O)N1Cc2ccc(NC(=O)C(F)(F)F)cc2C1 1557477804 QQCCJXHENIWXKI-CQSZACIVSA-N 431.414 3.621 0 40 IHAB COc1ccc([C@@](O)(C(=O)N2CCC[C@@H]2c2ccnc(N(C)C)c2)c2ccccc2)cc1 1848352658 ANZJBZMXCSBEPS-ZEQKJWHPSA-N 431.536 3.756 0 40 IHAB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)Nc2c(C)cccc2C)cc1 639919 RHMUGLJEFKTNFG-QFIPXVFZSA-N 437.496 3.512 0 40 IHAB Cn1c(SCC(=O)N2CCCc3ccccc32)nc2sc3c(c2c1=O)CCCC3 869095 RAJYPRYHDLJSGC-UHFFFAOYSA-N 425.579 3.945 0 40 IHAB CCOC(=O)c1c(NC(=O)CCN2C(=O)c3ccccc3C2=O)sc2c1CCCCC2 4229149 IXWHOUJXFUPRFA-UHFFFAOYSA-N 440.521 3.819 0 40 IHAB CCc1cccc(N(C(=O)c2csnn2)[C@@H](C(=O)NC2CCCC2)c2ccncc2)c1 6284368 KVAJPVQEHKBGOH-OAQYLSRUSA-N 435.553 3.942 0 40 IHAB COc1ccccc1NC(=S)N(CCCN(C)C)Cc1cc2cccc(C)c2[nH]c1=O 6443336 AXHUKSCPZMCEDD-UHFFFAOYSA-N 438.597 3.996 0 40 IHAB COc1ccc(CNC(=O)[C@@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)cc1OC 8134151 PBUCLVSANXZWJH-KIZRYQFWSA-N 428.573 3.677 0 40 IHAB O=c1c2cc(NS(=O)(=O)c3ccc(Cl)s3)ccc2ncn1Cc1ccccc1 8706622 UDSBMJCDAWSZOX-UHFFFAOYSA-N 431.926 3.961 0 40 IHAB Cc1cc(C)c(S(=O)(=O)Nc2ccc(Cl)c(N3CCCS3(=O)=O)c2)cc1C 8768519 SMZPJLJBUNPUQA-UHFFFAOYSA-N 428.963 3.606 0 40 IHAB COc1ccc2[nH]cc(CCNC(=O)COc3ccc4c5c(c(=O)oc4c3)CCC5)c2c1 8877866 LJXDWRRZYFTOIV-UHFFFAOYSA-N 432.476 3.509 0 40 IHAB biogenic COc1cc(OC)cc(C(=O)NC[C@@H]2CN(c3ccc(Cl)c(Cl)c3)C(=O)O2)c1 9101306 HXHNYOXQKSEZSF-OAHLLOKOSA-N 425.268 3.766 0 40 IHAB COc1ccccc1[C@@H](Nc1ncnc2c1cnn2-c1ccc(F)cc1)c1nccn1C 9219790 GLIJFOGCKMJNEP-HXUWFJFHSA-N 429.459 3.898 0 40 IHAB COc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2cccc(Cl)c2C)cc1 9236788 XKNYSKAAZPANQM-MSOLQXFVSA-N 429.933 3.955 0 40 IHAB COc1ccc(OCc2nnc(SCC(=O)Nc3cccc(SC)c3)n2C)cc1 9261450 CDPLEJAADVDWOZ-UHFFFAOYSA-N 430.555 3.855 0 40 IHAB CCn1c(S[C@H](C)C(=O)Nc2nccs2)nnc1[C@H](C)NC(=O)c1ccccc1F 9263342 SPRCXLFEUAZYQX-NWDGAFQWSA-N 448.549 3.504 0 40 IHAB CCc1ccc(CN(C(=O)c2ccccc2Br)[C@@H]2CCS(=O)(=O)C2)cc1 9304528 PWMUCTOAWSAIQH-QGZVFWFLSA-N 436.371 3.841 0 40 IHAB Nn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1-c1ccc(Cl)cc1 9638589 XPXHQEBFIFBGIY-UHFFFAOYSA-N 438.738 3.806 0 40 IHAB CCOCCCn1c(S[C@@H](C)C(=O)N(C)c2ccccc2)nnc1-c1ccncc1 9640310 OZPRYXCVNWKQGB-KRWDZBQOSA-N 425.558 3.910 0 40 IHAB C[C@H](Sc1nnc(Cc2ccccc2)n1-c1ccc(F)cc1)C(=O)NC[C@@H]1CCCO1 9729718 ZQJAWOJGLFRUIQ-JXFKEZNVSA-N 440.544 3.773 0 40 IHAB COc1cc(CN2CCN(c3ccccc3[C@H](O)c3ccccn3)CC2)cc(OC)c1OC 12089634 AMFIXZJHMNXAPG-VWLOTQADSA-N 449.551 3.511 0 40 IHAB CC[C@H](Oc1ccc(OC)cc1)C(=O)N1CCC(c2nc3ccccc3cc2C(N)=O)CC1 12241509 VKRINDDJNDGKNC-QHCPKHFHSA-N 447.535 3.906 0 40 IHAB O=C1NC2=C(C(=O)N(CCc3ccccc3)C2)[C@@H](c2ccc(OCc3ccccc3)cc2)N1 12346500 DQORPWVNITZLES-RUZDIDTESA-N 439.515 3.959 0 40 IHAB COc1ccc(-n2cnnc2SCC(=O)N2CCS[C@H]2c2ccccc2F)cc1 12514682 CKVDWPSAJVLXDP-IBGZPJMESA-N 430.530 3.781 0 40 IHAB C[C@@H](Sc1nnc(Cc2ccccc2)n1-c1ccccc1)c1nc(N)nc(N(C)C)n1 12522545 PWWBJXKJEBRBJQ-OAHLLOKOSA-N 432.557 3.545 0 40 IHAB O=C(CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)NCCC1=CCCCC1 12550612 MYNMISAEOJVMDP-UHFFFAOYSA-N 430.902 3.883 0 40 IHAB NS(=O)(=O)c1ccc(CCNC(=O)c2ccccc2OCc2ccc(Cl)cc2)cc1 12728929 SWQZODSSDKUYNK-UHFFFAOYSA-N 444.940 3.539 0 40 IHAB COc1ccc(C(=O)C2CCN(C(=O)[C@H](NC(=O)c3ccc(C)cc3)C(C)C)CC2)cc1 12740212 ZIZKEYYLZYPGON-HSZRJFAPSA-N 436.552 3.880 0 40 IHAB NS(=O)(=O)c1ccc(CCC(=O)NC[C@@H]2CC3c4ccccc4C2c2ccccc23)cc1 12766089 YTTDEMUJUACMLQ-UBSBWAOCSA-N 446.572 3.680 0 40 IHAB CN(Cc1ccc(Cl)cc1Cl)C(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1 12809927 KDNBMMNNCNQLSJ-UHFFFAOYSA-N 434.323 3.509 0 40 IHAB CC(C)(C)NC(=O)NC(=O)CCSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 12817158 JYIFTSOIKWLCNI-UHFFFAOYSA-N 426.546 3.868 0 40 IHAB CCOC(=O)N1CCC[C@H](C(=O)Nc2ccnn2Cc2ccccc2Br)C1 12865135 YGAOAHKTWQKJEC-HNNXBMFYSA-N 435.322 3.501 0 40 IHAB O=C(c1cc2cc(F)ccc2[nH]1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 12919609 RAXPRNACXYXENM-UHFFFAOYSA-N 437.496 3.607 0 40 IHAB CC(C)n1ncc2cc(NC(=O)[C@H](C)NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cnc21 12977209 WLRTYVGWSUEUSA-HNNXBMFYSA-N 443.573 3.615 0 40 IHAB COc1ccc(Cc2nn(CN(C)CC(=O)Nc3ccccc3Cl)c(=S)o2)cc1 13070055 UIATWQGUHWFJFA-UHFFFAOYSA-N 432.933 3.986 0 40 IHAB Cc1cc(-c2cc(=O)n([C@@H](C)C(=O)NCCc3ccccc3F)nc2-c2ccco2)on1 13226165 UASXMJBMLMQZIY-HNNXBMFYSA-N 436.443 3.526 0 40 IHAB CCn1c(CC(=O)Nc2cc(C)cc(C)c2)nnc1S[C@H](C)C(=O)NC1CCCC1 13956654 ZVRPEXOQRUXASJ-MRXNPFEDSA-N 429.590 3.635 0 40 IHAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCCN(C)c2nc3ccccc3nc21 15607737 VHXBOYWNVBTKQE-QFIPXVFZSA-N 427.508 3.767 0 40 IHAB COCCCNC(=O)/C(=C/C1=Cc2ccccc2O[C@H]1C)NC(=O)c1ccc(Cl)cc1 16779292 BNNICPWVSFNDME-NOEYKIMYSA-N 440.927 3.971 0 40 IHAB CCOC(=O)c1sc(N(C(=O)/C=C/c2cnn(C)c2C)C(C)C)nc1C(F)(F)F 17096832 HMUVDJXEELPRNU-BQYQJAHWSA-N 430.452 3.835 0 40 IHAB Cc1cc(-c2cnc(NC3CC3)nc2C2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)on1 19123030 SZSTYPFJCYDUSC-UHFFFAOYSA-N 447.495 3.763 0 40 IHAB CCN1CCN(C(=O)COc2ccccc2)C[C@H](Cc2cccc(-c3cccnc3)c2)C1=O 19527543 IXXPJJRXIJINEK-DEOSSOPVSA-N 443.547 3.677 0 40 IHAB CN(C)C(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)c2cccnc2N)C1 19579393 DVFLVEQGEFBPDK-RUZDIDTESA-N 448.592 3.946 0 40 IHAB Nc1ccc(C(=O)N2CCO[C@H](c3ccc(Cc4cccc(C(F)(F)F)c4)cn3)C2)cn1 19692299 ARNAKRMVEUKFJO-FQEVSTJZSA-N 442.441 3.882 0 40 IHAB CNc1nc([C@@H]2CCCN2C)nc2c1CCN(C(=O)C(C)(C)Oc1cccc(C)c1C)C2 19707433 PNISREPJYVQDCJ-FQEVSTJZSA-N 437.588 3.644 0 40 IHAB CC(=O)N1CCC[C@@H]1c1nc(CN(C)Cc2ccc(-c3ccccn3)cc2)cc(N(C)C)n1 19760111 CZARJNXGIODGJZ-XMMPIXPASA-N 444.583 3.920 0 40 IHAB CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CCN(Cc2cccc(Cl)c2)CC1 22386263 NWNKUEDZEGELTD-OAQYLSRUSA-N 428.964 3.831 0 40 IHAB O=C(CNC(=O)NCc1ccccc1)NCc1ccc(-c2ccc(Br)cc2)o1 22486145 JWKCJYZASNMAHA-UHFFFAOYSA-N 442.313 3.825 0 40 IHAB O=C(NCCCN1CCCCC1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 22520311 NVFZYKJKPQEQIV-UHFFFAOYSA-N 435.977 3.747 0 40 IHAB O=C(Nc1ccccc1)[C@@H]1CCCN1C(=O)Cn1c(SC(F)F)nc2ccccc21 28022913 NQVHIWOKJIQJJT-KRWDZBQOSA-N 430.480 3.981 0 40 IHAB Cc1nn(C)c(Cl)c1C(=O)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 29256895 VMVHBXSQKOXREH-UHFFFAOYSA-N 433.940 3.603 0 40 IHAB Cc1ccc(-n2ccnc2SCC(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)c(C)c1 30031896 UESPZRDKIMSYPC-UHFFFAOYSA-N 439.566 3.538 0 40 IHAB C[C@H](CCc1ccccc1)NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1 30943945 ZEMSJMNFFRLGPJ-VGOFRKELSA-N 444.597 3.649 0 40 IHAB CC[C@@]1(C)Cc2nc3sc4c(=O)n(CC(=O)NCc5ccccc5)cnc4c3cc2CO1 32094448 OFJVYXSIBMSLLW-DEOSSOPVSA-N 448.548 3.564 0 40 IHAB COc1ccccc1NC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1 32957802 QCUOQNGGAIBUEL-UHFFFAOYSA-N 428.485 3.664 0 40 IHAB C[C@@H](CCc1ccccc1)NC(=O)c1ccc(Oc2nccnc2N2CCOCC2)cc1 33296795 KVLLXFAKZFRULN-IBGZPJMESA-N 432.524 3.857 0 40 IHAB CCc1ccc2[nH]c(=O)c([C@@H]3c4cc(OC)c(OC)cc4CCN3C(=O)C3CC3)cc2c1 35313514 AXGCGDOXTMTWRM-DEOSSOPVSA-N 432.520 3.992 0 40 IHAB NC(=O)CSc1nc2ccccc2n1CC(=O)NC(c1ccccc1)c1ccccc1 35315289 JXXBCPISSRDJDO-UHFFFAOYSA-N 430.533 3.520 0 40 IHAB CCOc1ccc(NC(=O)c2ccc(NCc3cc(=O)n4nc(CC)sc4n3)cc2)cc1 39987716 QGKBQZQHFKXEEQ-UHFFFAOYSA-N 449.536 3.977 0 40 IHAB CN(Cc1nc2ccccc2s1)C(=O)c1cn(-c2cccc(Br)c2)nn1 40079642 PXPBCXWAOYEVRS-UHFFFAOYSA-N 428.315 3.912 0 40 IHAB O=C(Cc1csc(NC(=O)c2ccco2)n1)NCc1cccnc1OC1CCCC1 40089449 BZPNTHKSUUWELV-UHFFFAOYSA-N 426.498 3.564 0 40 IHAB Cc1cc(C(=O)CCC(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)c(C)s1 40154504 ISYGFEFQBUTVBK-UHFFFAOYSA-N 434.521 3.824 0 40 IHAB COC(=O)c1cccc2c1CCCN2Cc1nnc(C(=O)Nc2ccc(F)cc2)s1 40154553 VITXTZBUNGLMMA-UHFFFAOYSA-N 426.473 3.669 0 40 IHAB CC(C)n1nc(C(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)c2ccccc2c1=O 48265702 MXHHJTWLRGSNIY-UHFFFAOYSA-N 439.537 3.946 0 40 IHAB COc1cc(C)ccc1Oc1ccc(NC(=O)NCc2ccnc(N3CCOCC3)c2)cn1 58112286 PVNICCPIIHVVHJ-UHFFFAOYSA-N 449.511 3.744 0 40 IHAB CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)/C=C/c2ccc3c(c2)OCO3)CC1 58150990 WUXGMAPRIXVLEN-HFTQHKIXSA-N 425.504 3.587 0 40 IHAB COc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)cc1N1CCCCC1=O 70007893 ABLWYJFDDOVGIU-INIZCTEOSA-N 441.553 3.765 0 40 IHAB O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCCCN1CCn1c(=O)oc2cccnc21 89807764 MUXCLABRUAZHOH-MRXNPFEDSA-N 435.311 3.790 0 40 IHAB Cc1cc(C(=O)N2CCC3(CC2)C[C@H](CC(=O)N2CCOCC2)c2ccccc23)c(C)o1 96242181 ZGEUFEQRQYVBLG-FQEVSTJZSA-N 436.552 3.807 0 40 IHAB CCc1cc(O)n2nc([C@H]3CCCCN3Cc3cc(OC)c(OC)c(OC)c3)cc2n1 100146572 ZCIGDBVZFDNLDE-GOSISDBHSA-N 426.517 3.750 0 40 IHAB COc1cccc(N2CCN(C(=O)[C@H]3CC[C@H](CNC(=O)OC(C)(C)C)CC3)CC2)c1 101478330 WENNGVHBAPYLTQ-KDURUIRLSA-N 431.577 3.675 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccccc2)c2ccc(F)cc2)cc1 110211683 UREBPYOROIZQPM-KRWDZBQOSA-N 442.512 3.907 0 40 IHAB O=C(NCc1cccc2ccccc12)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 222869198 XLEYTHNQIOLAQB-UHFFFAOYSA-N 440.540 3.837 0 40 IHAB CC(C)(Cc1ccccc1)NC(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 222990974 LRAGRHBBPJDTBL-UHFFFAOYSA-N 429.369 3.897 0 40 IHAB COc1cccc(N(CCCC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)c1 223238958 XIBHPXUTVTWTPY-KRWDZBQOSA-N 430.570 3.608 0 40 IHAB COc1ccccc1OCC(=O)N(Cc1ccccc1F)[C@@H](C)C(=O)NC1CCCC1 224672744 ZESARZSQFVDAMX-KRWDZBQOSA-N 428.504 3.689 0 40 IHAB CCCc1ccc(OCCNC(=O)CS(=O)(=O)Cc2cccc3ccccc23)cc1 224953216 JZQRQAUDVMCQAC-UHFFFAOYSA-N 425.550 3.902 0 40 IHAB Cc1ccc([C@@H](NS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)c2ccccc2)cc1 224978132 UVHCBOXAJCEEHA-KRWDZBQOSA-N 430.555 3.509 0 40 IHAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1OC 225642593 XYUQAGKDFSSPKN-YLJYHZDGSA-N 430.520 3.935 0 40 IHAB O=C(O)c1cccc(Cl)c1OCC(=O)N(CCCn1ccnc1)Cc1ccccc1F 257259095 KWUKDWSMAHQUGV-UHFFFAOYSA-N 445.878 3.872 0 40 IHAB O=C1CCCN1CCOc1ccccc1C(=O)N1CC[C@H](Cc2cccc3ncccc23)C1 257283768 OZUHAJQSYBWHEK-HXUWFJFHSA-N 443.547 3.941 0 40 IHAB COc1cccc(C(=O)N2CCN(C(C)=O)[C@@H](c3ccccc3)C2)c1OCc1ccccn1 257306559 SUTYWZWPXFBDAY-HSZRJFAPSA-N 445.519 3.715 0 40 IHAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)cc1 260934929 NMXLRBJYFYZAAR-QGZVFWFLSA-N 448.585 3.634 0 40 IHAB CCOc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(N)=O 409189613 LMUGPVHOMWVLBF-LICLKQGHSA-N 432.885 3.844 0 40 IHAB CCOc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@H]3C)C2=O)cc1OCC 409210088 DNLPNLTWGCOFAW-JPVKTXQWSA-N 432.542 3.921 0 40 IHAB Cc1ccc(F)c(NC(=O)COC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)c1 409225677 NNPKYLWTRAZUAG-UHFFFAOYSA-N 432.407 3.730 0 40 IHAB O=C(Nc1ccccc1)Nc1cccc2c1CCN(C(=O)[C@@]13[C@@H]4[C@H]5C(=O)[C@H]1[C@@H]1[C@@H]5C[C@@H]4[C@H]13)C2 503605125 RXIFRKXQRFMSTM-QKMDJTQBSA-N 439.515 3.542 0 40 IHAB Cc1c(Cl)c(O)c(C/C=C(\CO)[C@H](O)C[C@]2(C)[C@@H](C)CCC(=O)[C@H]2C)c(O)c1C=O 514287890 HDMBFAOOJCPAHR-DVIKCWOBSA-N 438.948 3.726 0 40 IHAB biogenic,in-vitro Cc1nc(NC(=O)N2CCC[C]2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1 1560411675 PPYAXLZBMKOBHS-UHFFFAOYSA-N 440.471 3.998 0 40 IHAB COc1cccc(CNC(=O)Cc2c(C)nc([C@@H]3CCN(Cc4ccccc4)C3)nc2C)c1 1848351821 RSNUVJGMABZSAD-HSZRJFAPSA-N 444.579 3.950 0 40 IHAB CSc1cccc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3C)n2C)c1 687360 YWHPRILJDJAMPH-UHFFFAOYSA-N 441.582 3.506 0 40 IHAB COC(=O)c1ccc(CN2C(=O)C(Cl)=C(Nc3ccc(OC)c(Cl)c3)C2=O)cc1 937552 LPCKQFWXVFWOJI-UHFFFAOYSA-N 435.263 3.567 0 40 IHAB Cc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)c1C 1289551 IYOUKSLEGLTNMR-HNNXBMFYSA-N 445.313 3.601 0 40 IHAB Cc1cc(=O)n2c(C(=O)NCc3ccccc3)c(C(=O)Nc3cccc(C)c3C)sc2n1 1907013 WDDMDAYJCDXUOO-UHFFFAOYSA-N 446.532 3.864 0 40 IHAB COc1ccccc1N(CC(=O)N1CCc2ccccc21)S(=O)(=O)c1cccs1 2627990 WBLYEWHMZLGZKJ-UHFFFAOYSA-N 428.535 3.541 0 40 IHAB C[C@H](CCc1ccccc1)NC(=O)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12 3015381 LBJAHKRCDCFHAB-HXUWFJFHSA-N 445.563 3.974 0 40 IHAB COC(=O)c1ccc(NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)cc1 3172991 WMRRSCUGPBJLMM-UHFFFAOYSA-N 438.505 3.616 0 40 IHAB Cc1c(NC(=O)[C@@H](C)OC(=O)c2cc(Cl)ccc2Cl)c(=O)n(-c2ccccc2)n1C 3352260 MQSDBXGQZLNZEU-CYBMUJFWSA-N 448.306 3.975 0 40 IHAB O=c1/c(=C\c2ccncc2)sc2n1[C@@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 8417871 ATXHTPXZIHDDQC-VOSMRYOYSA-N 427.554 3.775 0 40 IHAB COc1ccc(-c2cc(C[C@H]3CNCC[C@H]3CC(=O)NCc3ccccc3OC)no2)cc1 8623833 FHEJUUVHDDSWAR-FPOVZHCZSA-N 449.551 3.834 0 40 IHAB biogenic,in-vitro Cc1cc2oc(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)cc(=O)c2cc1C 8868934 PMLOQULKSYJSIN-UHFFFAOYSA-N 428.491 3.675 0 40 IHAB CCOC(=O)Cn1c([C@@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)nc2ccccc21 8871487 GJGJZLASQBKEMZ-CQSZACIVSA-N 427.888 3.782 0 40 IHAB CC[C@@H](C(=O)NCCn1ncc2c(N3CCCCC3)nc(SC)nc21)c1ccccc1 8946146 DYAPIWSKTXIBRZ-GOSISDBHSA-N 438.601 3.849 0 40 IHAB COC(=O)Cn1/c(=N/C(=O)c2cc(Cl)ccc2Cl)sc2cc(OC)ccc21 9077604 IPORTKUZHMAXRE-UZYVYHOESA-N 425.293 3.932 0 40 IHAB Cc1[nH]c(SCC(=O)Nc2sc3c(c2C(N)=O)CCC3)nc1Cc1ccccc1 9338316 WFBGICWBCGLRRR-UHFFFAOYSA-N 426.567 3.689 0 40 IHAB CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(CC)C(=S)N2Cc2ccc(F)cc2)cc1 9358762 LWGZQLJNSMQDIE-HXUWFJFHSA-N 443.544 3.961 0 40 IHAB Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2C(C)(C)CO[C@@H]3c2ccccc2O)cc1 9429743 JCVOJJGEGUUJAF-HSZRJFAPSA-N 445.519 3.574 0 40 IHAB O=C(c1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]2[C@H]2CCCN12 9487789 GILKAXPPISVCGK-HCXYKTFWSA-N 446.400 3.680 0 40 IHAB CCOc1ccccc1NC(=O)[C@H](Sc1nnc(C(F)(F)F)n1N)c1ccccc1 9500434 VCKITDYRWPUQDN-OAHLLOKOSA-N 437.447 3.882 0 40 IHAB Cc1ccc(CN(C)C(=O)CSc2nnc(COc3ccc(C)cc3C)n2N)c(C)c1 9595048 CNHRTLTTXWAWGK-UHFFFAOYSA-N 439.585 3.555 0 40 IHAB O=C(NCCSCc1ccccc1)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 9883776 LLUHMSMVOKDVQR-UHFFFAOYSA-N 441.641 3.990 0 40 IHAB CCOC(=O)c1cc(NC(=O)COc2ccc(Cl)cc2C)ccc1N1CCOCC1 9907800 RIOFVUFIIMKPTG-UHFFFAOYSA-N 432.904 3.679 0 40 IHAB COc1ccc(-c2nc(NC(=O)CS(=O)(=O)c3ccc(OC)cc3)sc2C)cc1 10219362 YJAWDRYVOSANSL-UHFFFAOYSA-N 432.523 3.548 0 40 IHAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)O[C@@H](C)C(=O)N1CC(=O)Nc2ccccc21 10838305 UZYWNEYTLLHPOS-ZDUSSCGKSA-N 443.525 3.572 0 40 IHAB COc1ccc(Cc2nnc(SCC(=O)Nc3cc(Cl)cc(Cl)c3)n2N)cc1 10921634 FTKTZSHXTZPOLJ-UHFFFAOYSA-N 438.340 3.629 0 40 IHAB Cc1nn(C(=O)COc2ccc(C(C)(C)C)cc2)c(C)c1S(=O)(=O)N1CCCCC1 11025679 IRMMVGBOYCYWNH-UHFFFAOYSA-N 433.574 3.691 0 40 IHAB Cc1ccc(C(C)C)c(OCC(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)c1 11450732 SLPBNUKKIRYPOV-UHFFFAOYSA-N 436.599 3.528 0 40 IHAB CC(=O)N1CCc2c(sc(NC(=O)C(c3ccccc3)c3ccccc3)c2C(N)=O)C1 12378148 LMEFTHTWXQICPY-UHFFFAOYSA-N 433.533 3.522 0 40 IHAB O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)c1c[nH]c(C(=O)N2CCCC2)c1 12569613 QQDQVXUNNQUHIJ-UHFFFAOYSA-N 435.553 3.743 0 40 IHAB COc1ccc(C)cc1C(=O)CCC(=O)N1CCC(c2noc(-c3ccccn3)n2)CC1 12668882 JJBSTQGTSVFUBB-UHFFFAOYSA-N 434.496 3.818 0 40 IHAB CCOc1ccc(NC(=O)c2csc(-c3cccs3)n2)cc1S(=O)(=O)N(C)C 12690511 BPWQNBUMCNBRBW-UHFFFAOYSA-N 437.568 3.773 0 40 IHAB Cc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)N(C)C)ccc2Br)c(C)c1 12772862 ZVWKPSYUBYYPGU-UHFFFAOYSA-N 439.375 3.588 0 40 IHAB Cc1sc2ncnc(N3CCN(Cc4nc(=O)c5c(C)c(C)sc5[nH]4)CC3)c2c1C 12776912 GXIGOBINOSNTLP-UHFFFAOYSA-N 440.598 3.545 0 40 IHAB Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)CN1C(=O)CCOc2ccccc21 12866169 DLPQBSUUVSZPFT-UHFFFAOYSA-N 445.523 3.734 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc2nnc(SCc3c(F)cccc3Cl)n2c1 12985813 GLZVOSAMONCOIA-UHFFFAOYSA-N 428.942 3.845 0 40 IHAB COc1ccc(OC)c([C@H](C)NS(=O)(=O)c2ccc(OC)c(Br)c2)c1 12996613 GIOLMHAUFGGCBI-NSHDSACASA-N 430.320 3.514 0 40 IHAB Cc1nc(-c2cccc(NC(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)c2)cs1 13108141 WJZYQGOKIUVNJK-MRXNPFEDSA-N 435.505 3.881 0 40 IHAB O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)NC1CCN(Cc2ccccc2)CC1 13117606 AYOKSZVWFYHSOK-UHFFFAOYSA-N 443.547 3.990 0 40 IHAB CCOc1ccc([C@@H](C(=O)NC2CCCC2)N(CCOC)C(=O)Cc2cccs2)cc1 13497918 CWDYIALEJAGVQB-QHCPKHFHSA-N 444.597 3.964 0 40 IHAB Cc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@@H]3[C@@H]3CCCN32)cc1 13554994 OCUFAWVLMNSZOB-NMLBUPMWSA-N 442.437 3.849 0 40 IHAB O=C(c1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@H]2[C@@H]2CCCN21 13555669 TYBYAPIGYJYMEO-RMRDIRSESA-N 447.293 3.968 0 40 IHAB CCOC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)c1 13675712 WSVSGBULGMNZQG-UHFFFAOYSA-N 436.917 3.554 0 40 IHAB COC(=O)c1cccc(NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c1C 13681567 OUBFMKBFTGKJLZ-UHFFFAOYSA-N 430.507 3.896 0 40 IHAB COc1cccc(-c2nc(S(=O)(=O)c3ccc4c(c3)OCCO4)c(NC3CC3)o2)c1 13690638 HLVFNRQTJCNAFF-UHFFFAOYSA-N 428.466 3.529 0 40 IHAB COc1cccc(C(=O)N2CCN(C(=O)COc3ccc(-c4ccccc4)cc3)CC2)c1 13940569 PKPBUCSJUOQDGB-UHFFFAOYSA-N 430.504 3.726 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COc1c(C)cc(C)cc1C 14109312 CSXYQZFQWJGKBZ-UHFFFAOYSA-N 446.569 3.813 0 40 IHAB COc1ccccc1[C@H](C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1 14301826 LOIZVPHHPSKAJQ-IBGZPJMESA-N 438.549 3.764 0 40 IHAB Cc1ccc(S(C)(=O)=O)cc1NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 14867705 CTBGHSKIRUUJCN-UHFFFAOYSA-N 427.853 3.872 0 40 IHAB COc1ccc(N2CC(=O)N(c3ccc(Cl)cc3)[C@H](c3cccnc3)C2=O)c(OC)c1 15413437 DJBSCEGPOVUTSN-JOCHJYFZSA-N 437.883 3.873 0 40 IHAB COc1cc(Cl)c(C)cc1N1C(=O)[C@@H]2[C@H]3c4ccccc4C=CN3[C@H](C(C)=O)[C@@H]2C1=O 15998838 ZXOODZDVQKLXTF-CIAFKFPVSA-N 436.895 3.761 0 40 IHAB COc1ccccc1N(CC(=O)N(C)Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1 16309368 QOINWRJCLUTZLQ-UHFFFAOYSA-N 438.549 3.858 0 40 IHAB COc1ccc([C@@H](NC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)c2nccn2C)cc1 16476696 BQVMIPOAFKLOOY-OAQYLSRUSA-N 441.915 3.692 0 40 IHAB O=S(=O)(c1ccc(-c2csc(NCc3ccc(F)cc3)n2)cc1)N1CCOCC1 16941086 AMBMPNAZSYHQQP-UHFFFAOYSA-N 433.530 3.582 0 40 IHAB CN(CC(=O)Nc1nnc(-c2ccccc2)s1)S(=O)(=O)c1ccc2ccccc2c1 18703518 KVXQZMQXLACRFQ-UHFFFAOYSA-N 438.534 3.618 0 40 IHAB COc1ccc(CC(=O)N2Cc3ccccc3OC3(CCC(N(C)C(C)=O)CC3)C2)cc1 19016269 XFOOSOVNUVFBQX-UHFFFAOYSA-N 436.552 3.819 0 40 IHAB 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CCOc1ccc([C@@H](C)NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCC3)c2)cc1 38754341 VKTSXMUMNNWFGY-QGZVFWFLSA-N 446.569 3.760 0 40 IHAB O=C(NCc1cccnc1OC1CCCC1)C1CCN(C(=O)CCc2ccccc2)CC1 40089409 KFZBMDIKRBIKPX-UHFFFAOYSA-N 435.568 3.891 0 40 IHAB O=c1c2c(n(S(=O)(=O)c3ccc(Cl)c(Cl)c3)c(=O)n1C1CCCCC1)CCC2 41104979 OPZWERXZRGTTDS-UHFFFAOYSA-N 443.352 3.548 0 40 IHAB Cc1ccc([C@H](NC(=O)CN(c2ccccc2F)S(C)(=O)=O)c2ccccc2)cc1 44900416 MRQAPWTZXRTSQP-HSZRJFAPSA-N 426.513 3.806 0 40 IHAB Cc1cccc(N2CCN(Cc3nc(-c4ccc(N5CCC[C@@H](C)C5)nc4)no3)CC2)c1 49409638 LRWNYLYEIWFFIR-HXUWFJFHSA-N 432.572 3.999 0 40 IHAB CCc1nnc(NC(=O)[C@H]2c3ccccc3C(=O)N(CCOC)C23CCCCC3)s1 49544124 HBMPNAZFYCXCAD-GOSISDBHSA-N 428.558 3.628 0 40 IHAB COC(=O)C1=C(CN2CC=C(c3ccccc3)CC2)NC(=O)N[C@@H]1c1cccc(Cl)c1 57415049 GGSOQYKQDTUREA-JOCHJYFZSA-N 437.927 3.910 0 40 IHAB CC(=O)c1ccc(NC(=O)Cn2c(=O)n(-c3ccc(C)cc3C)c(=O)c3sccc32)cc1 57493097 CXFTXQMEJJEVMH-UHFFFAOYSA-N 447.516 3.672 0 40 IHAB CN(C[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1Br)c1ccccc1 58105999 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0 40 IHAB C[C@@H](C(=O)NCc1ccccn1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1 222852035 FNAMYNNRAKINQK-SFHVURJKSA-N 437.927 3.848 0 40 IHAB COCc1cccc(NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)c1 223503486 HLVOGSLXGQQGPF-UHFFFAOYSA-N 428.485 3.806 0 40 IHAB COC(=O)c1cc(S(=O)(=O)NCc2nc(-c3ccc(C(C)(C)C)cc3)no2)ccc1C 223614168 YQAZPHGEFJYJSP-UHFFFAOYSA-N 443.525 3.608 0 40 IHAB CCCC[C@H](CC)CNS(=O)(=O)c1ccc(OC)c(I)c1 223982377 ABUFHUQRVXJOHQ-LBPRGKRZSA-N 425.332 3.795 0 40 IHAB CSc1ccc(S(=O)(=O)N(C)CC(=O)N2CCC(Cc3ccccc3)CC2)cc1 224954302 GOUJCHSLYBKPSB-UHFFFAOYSA-N 432.611 3.510 0 40 IHAB Cc1nc(N2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)cc(C(F)(F)F)n1 225733433 UTRPMBVHIRLPNP-UHFFFAOYSA-N 449.260 3.838 0 40 IHAB COC(=O)c1ccc(NC(=O)CCc2nc(-c3ccc(Br)cc3)no2)cc1 225819804 YUVOKEPZMIMILF-UHFFFAOYSA-N 430.258 3.857 0 40 IHAB CC1CCN(c2cc(Sc3ncccn3)nc(NC(=S)NC3CCCC3)n2)CC1 226005914 PXQNUHBEQXXXRR-UHFFFAOYSA-N 429.619 3.883 0 40 IHAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C(=O)N1CN(C(=O)c1ccccc1Cl)c1ccccc1 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COc1ccccc1CN(C)CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 3332973 VRRBVPIYOWRFSS-UHFFFAOYSA-N 437.462 3.621 0 40 IHAB C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)N[C@@H]2CCCc3ccccc32)C1=O 3595005 YOVAKIDFEUXRFV-XMSQKQJNSA-N 446.334 3.954 0 40 IHAB CC(=O)NC(=S)Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1 4122321 OZIHEHFBATWIEV-UHFFFAOYSA-N 444.429 3.542 0 40 IHAB O=C(Cn1c(SCC(=O)N2CCCCCC2)nc2ccccc21)NC1CCCCC1 4859121 JHQBQETXBYNQAB-UHFFFAOYSA-N 428.602 3.980 0 40 IHAB CCc1nnc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccc(C)cc2)s1 6135535 JQHGTTXITTZVKU-UHFFFAOYSA-N 437.554 3.782 0 40 IHAB Cc1ccc(S(=O)(=O)N(C[C@H](O)Cn2cnc3ccccc32)c2cccc(C)c2)cc1 6171146 XLSAQBMGLZOCEM-OAQYLSRUSA-N 435.549 3.910 0 40 IHAB Cc1cccc(N2C[C@H](C(=O)Nc3nnc(SCc4ccccn4)s3)CC2=O)c1 8824636 BROFFDIVXYBIDV-CQSZACIVSA-N 425.539 3.525 0 40 IHAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCn1nc(-c2cccs2)ccc1=O 8954873 YDBRHAAWFUGLQD-GFCCVEGCSA-N 438.336 3.862 0 40 IHAB CC(C)[C@@H](NC(=O)CSc1nnc2n1CCCCC2)c1ccc2c(c1)OCCCO2 9217910 YJIMBKLLRRGHFU-OAQYLSRUSA-N 430.574 3.771 0 40 IHAB COc1ccc(-c2cc3c(=O)n(CC(=O)Nc4c(C)cc(C)cc4C)ccn3n2)cc1OC 9327536 SAQGSALIABWWFQ-UHFFFAOYSA-N 446.507 3.744 0 40 IHAB COc1ccc(CN(C(=O)/C=C/c2ccc(Cl)cc2)[C@H]2CCS(=O)(=O)C2)cc1OC 9454272 FIAJVEJCJRIQBK-IUYMFKLXSA-N 449.956 3.586 0 40 IHAB O=C(CSC1=NN/C(=C2\C=Nc3ccccc32)N1C1CC1)N1CCc2ccccc2C1 9494039 WNDBYQIZQWQDLV-ATJXCDBQSA-N 429.549 3.728 0 40 IHAB Cc1ccc(-c2cc(-c3nnc(S[C@@H](C)C(=O)NC4CC4)n3N)c3ccccc3n2)cc1 9646125 QYIBNRWSDCMJHG-HNNXBMFYSA-N 444.564 3.942 0 40 IHAB CC[C@@H](NC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O)c1ccc(Br)cc1 9647577 SMPDSUJLCHAFTL-GQWAEJPESA-N 436.350 3.517 0 40 IHAB CCOC(=O)c1[nH]c(COC(=O)CCCOc2ccc(OC)cc2)c(C(=O)OCC)c1C 9670255 WQXADRZQVDVNCC-UHFFFAOYSA-N 447.484 3.588 0 40 IHAB CCc1nnc2sc(-c3ccc(OC)c(NS(=O)(=O)c4ccc(C)cc4)c3)nn12 10010295 RJCOOYGCTQFAOP-UHFFFAOYSA-N 429.527 3.533 0 40 IHAB Cc1ccc(C)c(N([C@@H](C)C(=O)Nc2cccc(Br)c2)S(C)(=O)=O)c1 10330050 ZZFDRCCTWZCVQS-AWEZNQCLSA-N 425.348 3.859 0 40 IHAB CC(C)[C@@H](NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)c1ccccc1 10857939 FTMCMUHYKZLQQC-LJQANCHMSA-N 446.477 3.873 0 40 IHAB Cc1ccc(OCCNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)cc1 11239506 ISXDDFCIRNBOJH-UHFFFAOYSA-N 428.485 3.744 0 40 IHAB COc1ccc2nc(-c3ccc(OC)c(NS(=O)(=O)c4ccc(F)c(C)c4)c3)cn2n1 11693564 XSZSXYMVKICVLN-UHFFFAOYSA-N 442.472 3.662 0 40 IHAB COc1ccc(-c2ccc(C)c(NS(=O)(=O)c3ccc(NC(=O)C(C)C)cc3)c2)nn1 11694199 PAGZRJNOGPWPLP-UHFFFAOYSA-N 440.525 3.856 0 40 IHAB COc1cccc(C(=O)N(Cc2ccc(-c3ccc(F)cc3)o2)[C@H]2CCS(=O)(=O)C2)c1 11914009 QUAYXUXYFJCWSI-IBGZPJMESA-N 443.496 3.924 0 40 IHAB COc1ccc2[nH]cc(CCNC(=O)C3CCN(c4nc5ccccc5n4C)CC3)c2c1 12116356 QKXOWFNHNGIHPL-UHFFFAOYSA-N 431.540 3.639 0 40 IHAB O=C(CCc1nc(-c2cccs2)no1)N1CCN(Cc2nc3ccccc3s2)CC1 12592835 MLRHVXICUDUIRE-UHFFFAOYSA-N 439.566 3.685 0 40 IHAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)c1 12630038 DITZMBSNOYMNDP-HXUWFJFHSA-N 426.542 3.571 0 40 IHAB CCOc1ccccc1N(CC(=O)NC(C)(C)CC)C(=O)CCC(=O)Nc1nccs1 13501858 BHUWQJGWPZNGSJ-UHFFFAOYSA-N 446.573 3.599 0 40 IHAB COC(=O)c1cccc(NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)c1 13672539 KFITWZNSNMXGHO-UHFFFAOYSA-N 438.505 3.692 0 40 IHAB COc1ccc(C)cc1NC(=O)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 13678053 FBYOIPOKNKXNOF-UHFFFAOYSA-N 430.570 3.617 0 40 IHAB COc1cc2c(cc1OC)CN(C(=O)Cc1c(C)c3cc(Cl)c(O)cc3oc1=O)CC2 13684945 VUVOGZRXJNCDAG-UHFFFAOYSA-N 443.883 3.605 0 40 IHAB biogenic C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 14107533 LQDKNJLLJULMEN-IIDMSEBBSA-N 443.407 3.545 0 40 IHAB Cn1cnnc1SCC(=O)Nc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1 15422952 NSFLITKNFKBNRQ-UHFFFAOYSA-N 449.580 3.641 0 40 IHAB CC(C)Cc1nn2c(=O)cc(COC(=O)c3cccc(NC(=O)C(C)(C)C)c3)nc2s1 15771808 YZYNVHTZUJTYBL-UHFFFAOYSA-N 442.541 3.691 0 40 IHAB O=C(Nc1ccc2c(c1)OCO2)c1ccccc1NS(=O)(=O)c1ccc(F)cc1F 16101281 WRCKDEQLKQPTBP-UHFFFAOYSA-N 432.404 3.747 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1cc(Cl)ccc1Cl 16188106 GXRVUBICWBJVTB-UHFFFAOYSA-N 437.732 3.915 0 40 IHAB COc1cc(/C=C\C(=O)OCc2cc(-c3ccc4c(c3)OCO4)on2)cc(OC)c1OC 16838683 GHXJVYBTSRKDPN-DAXSKMNVSA-N 439.420 3.853 0 40 IHAB CN(C)c1cc(C2CCN(C(=O)c3cc(C(C)(C)C)nn3C)CC2)nc(-c2ccncc2)n1 19083742 HQYHQPLGCCEQPV-UHFFFAOYSA-N 447.587 3.655 0 40 IHAB CC1(C)Cc2cc(CN3CCC[C@H](C4=NS(=O)(=O)c5ccccc5N4)C3)ccc2O1 19461740 KUHIRBBXKHEWHR-KRWDZBQOSA-N 425.554 3.825 0 40 IHAB CCCN1CCN(C(=O)Cn2cccn2)C[C@H](Cc2ccccc2-c2cccs2)C1=O 19503299 KAWIVVFTINVGKH-FQEVSTJZSA-N 436.581 3.551 0 40 IHAB CCCc1ncc(CN2CCC([C@@H]3C[C@@H](C(=O)Nc4ccc(F)cc4)CN3C)CC2)cn1 19525734 HNRAOESWOAWKRT-OFNKIYASSA-N 439.579 3.739 0 40 IHAB CCOc1ccc(CC(=O)N[C@H](C)c2nc3cc(-c4ccc(OC)cc4)ncn3n2)cc1 19533078 SDBBZUAQORNCSK-MRXNPFEDSA-N 431.496 3.619 0 40 IHAB Cc1cc(O[C@@H](C)C(=O)N2CCC[C@@H](c3noc(-c4cnccn4)n3)C2)cc(C)c1Cl 19569896 ZXOAUBXHHNSLEZ-JKSUJKDBSA-N 441.919 3.970 0 40 IHAB CSCC[C@@H](NC(=O)c1c(C)n(C)c2ccccc12)c1cc(=O)[nH]c(-c2ccccn2)n1 19581761 HZZHINLKDBDQAZ-QGZVFWFLSA-N 447.564 3.856 0 40 IHAB Cc1ccn2cc(C(=O)N3CCC(c4ccc(-c5cccc(C(N)=O)c5)cn4)CC3)nc2c1 19688089 CGSMLDWCBWYHLF-UHFFFAOYSA-N 439.519 3.823 0 40 IHAB COc1ccc(-c2nc([C@H]3CCCN(C(=O)c4cccc(C)c4OC)C3)[nH]c2C(N)=O)cc1 19698954 NCXVDBWNNWWDPU-KRWDZBQOSA-N 448.523 3.521 0 40 IHAB Cc1nc([C@@H]2CCCN(C(=O)c3ccccn3)C2)nc2c1CCC(=O)N2Cc1ccccc1 19739387 ASDLFPPNZXWTOS-HXUWFJFHSA-N 441.535 3.679 0 40 IHAB Cc1nc([C@H]2CCCCN2C(=O)CN2CCCCC2)ncc1C(=O)Nc1ccc(F)cc1 19765101 LKVHEXOYCWMUAO-OAQYLSRUSA-N 439.535 3.716 0 40 IHAB Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)N[C@@H](C)c1ccc(Cl)cc1 20021795 QTBVSYLRDCYXHE-INIZCTEOSA-N 436.961 3.689 0 40 IHAB CCOc1ccc(NC(=O)Cn2cc(C(=O)c3ccccc3)c(=O)c3ccc(C)nc32)cc1 20579541 DTPLWGIOIYPTSA-UHFFFAOYSA-N 441.487 3.973 0 40 IHAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1C[C@@H](C(=O)N(C)C)Oc2ccccc21 21676609 GFGFQBVJIVSDQI-KRWDZBQOSA-N 443.862 3.939 0 40 IHAB COc1cccc(-c2nc(COC(=O)[C@H]3CC(=O)N(C4CCCC4)C3)cs2)c1OC 21716441 GZPFTVNRZPSJOU-AWEZNQCLSA-N 430.526 3.662 0 40 IHAB O=C(c1ccco1)N1CCN(C(=O)c2cnn(-c3ccccc3Cl)c2-n2cccc2)CC1 22570084 NASJSOJIMNCVSC-UHFFFAOYSA-N 449.898 3.508 0 40 IHAB O=C(COc1cccc2ccc(N3CCN(c4ccccc4)CC3)nc12)NCc1ccco1 22714939 WOCDWZYROKIOTB-UHFFFAOYSA-N 442.519 3.850 0 40 IHAB COc1ccc(C)cc1/C=C/C(=O)N1CCN(Cc2nc(-c3ccc(C)cc3)no2)CC1 23043168 MAKVURSYUQGHJI-PKNBQFBNSA-N 432.524 3.720 0 40 IHAB CC(C)(C)c1cc(NC(=O)CCc2c[nH]c3ccccc23)n([C@H]2CCS(=O)(=O)C2)n1 26130626 NXLPNVMVXSDDCL-INIZCTEOSA-N 428.558 3.593 0 40 IHAB CCOC(=O)c1cc(NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)ccc1Cl 30864659 AXZONCYQOVUIGU-UHFFFAOYSA-N 431.297 3.794 0 40 IHAB COc1cccc(-c2nnn(CC(=O)N(CCc3ccccc3)Cc3cccs3)n2)c1 32745323 BMTJAPLOHNNDHC-UHFFFAOYSA-N 433.537 3.682 0 40 IHAB Nc1nc(SCC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)nc2sccc12 32841111 RSJQBANIXVAIRK-ZDUSSCGKSA-N 425.495 3.930 0 40 IHAB Cc1cc(C(=O)N2CCN(C(=O)Cc3ccc(NC(=O)OC(C)(C)C)cc3)CC2)c(C)o1 32921787 UFFVEGOFETYGPZ-UHFFFAOYSA-N 441.528 3.771 0 40 IHAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)N1CCN(C[C@H]2CCCO2)CC1 32987914 LKQIWVUAQCDHGQ-NELJVSICSA-N 448.592 3.937 0 40 IHAB COc1ccc(/C=C2/SC(=O)N(CCNC(=O)c3ccc4ccccc4n3)C2=O)cc1 34702027 KCSGUWDPFOIZNA-XSFVSMFZSA-N 433.489 3.710 0 40 IHAB CC1(C)[C@H]2CC[C@]1(C)[C@H](OCC[C@H](O)CN1CCN(Cc3ccc4c(c3)OCO4)CC1)C2 35075025 ICIPEATVNUOASK-VKZLBCMESA-N 444.616 3.515 0 40 IHAB COC(=O)[C@H](C)N(Cc1cnc2ccc(Cl)cn12)Cc1cnc2ccc(Cl)cn12 36383387 VKEJOZKTSSZVCH-ZDUSSCGKSA-N 432.311 3.853 0 40 IHAB COc1ccc(C)cc1[C@@H](C)NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 36395948 BWWHZWLJEMPKNF-GOSISDBHSA-N 430.570 3.598 0 40 IHAB COc1ccc(NC(=O)CSc2nnc([C@H](C)Oc3ccccc3)n2C)cc1OC 36631391 GYQNEMGULWDGQH-AWEZNQCLSA-N 428.514 3.703 0 40 IHAB Cc1ccc(N2C[C@H](C(=O)N3CCC(c4nnc(-c5ccc(F)cc5)o4)CC3)CC2=O)cc1 38904680 PDTKEVWWXGMSLW-LJQANCHMSA-N 448.498 3.943 0 40 IHAB COc1ccc(-c2noc(CN3CCC(C(=O)c4ccc5c(c4)OCCO5)CC3)n2)cc1 40037403 XMMWYFUEZXVROE-UHFFFAOYSA-N 435.480 3.611 0 40 IHAB Cc1ccc(NC(=O)CN2CN(c3cccc(F)c3)c3ncccc3S2(=O)=O)c(C)c1 49411526 JYYOGHKPPRBRFP-UHFFFAOYSA-N 440.500 3.576 0 40 IHAB Cc1ccc(-n2c(SCC(=O)N3CCc4ccccc43)nc3ccccc3c2=O)nc1 49652466 VHRJEJZMGRGHGF-UHFFFAOYSA-N 428.517 3.771 0 40 IHAB O=C(CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1)Nc1cc(F)ccc1Cl 51316714 AHEBWUWJWSBNEN-UHFFFAOYSA-N 429.864 3.632 0 40 IHAB O=C(NCCN1CCN(C(=O)Nc2ccc(Cl)cc2)CC1)Nc1ccc(Cl)cc1 55116517 XQIBBBCGMPKNAD-UHFFFAOYSA-N 436.343 3.965 0 40 IHAB CCCn1c(=O)c2sccc2n(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1=O 57485890 HWQXQHFNIUDUEN-UHFFFAOYSA-N 445.850 3.946 0 40 IHAB CCc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)N[C@H](C)c1ccccc1 64580467 DRSHPGWDIIEVCB-MRXNPFEDSA-N 437.565 3.918 0 40 IHAB COC(=O)c1cccc(NC(=O)CSc2nc(-c3cc(Cl)ccc3OC)n[nH]2)c1 68914852 HRDJPQDPYABZNJ-UHFFFAOYSA-N 432.889 3.651 0 40 IHAB CC(C)(C)OC(=O)N[C@H](CNC(=O)Cc1ccc(N2CCCC2=O)cc1)c1ccccc1 72297671 ZJHMHYQIZSGALD-OAQYLSRUSA-N 437.540 3.738 0 40 IHAB CC[C@@H](NC(=O)Nc1ccc(C(=O)N2CCOCC2)cc1)c1nc(-c2ccccc2)c[nH]1 95460876 UIZSTHPKYFDKDC-HXUWFJFHSA-N 433.512 3.822 0 40 IHAB Cc1ccc(N2C[C@H](C(=O)NCCn3nc(C(F)(F)F)cc3C3CC3)CC2=O)cc1C 96103757 UPHFRYRIVKMAMP-MRXNPFEDSA-N 434.462 3.565 0 40 IHAB O=S(=O)(NCCn1nc(C(F)(F)F)c2c1CCCC2)c1ccc(F)c(Cl)c1 96121573 CVOUKFLMYCKFBU-UHFFFAOYSA-N 425.835 3.552 0 40 IHAB O=S(=O)(c1ccccc1C(F)(F)F)N1CCC(c2nnc(C(F)(F)F)o2)CC1 96340625 RJIZIVIWIKTPMY-UHFFFAOYSA-N 429.342 3.676 0 40 IHAB CC1(C)C[C@@H]2C[C@](C)(CN2[C@H](C(=O)O)c2c[nH]c3ccc(NC(=O)CCC(=O)O)cc23)C1 101638701 STLBHMKQPRVJEE-SJODRWRQSA-N 441.528 3.998 0 40 IHAB CCN1C(=O)[C@H]2[C@@H](C(=O)c3ccc(-c4ccccc4)cc3)N3N=Cc4ccccc4[C@H]3[C@@H]2C1=O 104272380 OGSVCVZBYHYNOJ-NGSHPTGOSA-N 449.510 3.930 0 40 IHAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4[C@@H](OC(C)=O)C[C@H](C(C)=O)[C@@]4(C)CC[C@@]32O)C1 118930387 BTJJGPCIDWESHX-QHHNQZEMSA-N 434.573 3.823 0 40 IHAB CCOC[C@@]1(N)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218243275 WNTNTYSCGPMVDM-FGTMMUONSA-N 444.778 3.776 0 40 IHAB COc1ccc([C@H](CC(C)C)NC(=O)[C@@H](C)N(c2ccccc2F)S(C)(=O)=O)cc1 220317900 JOBHHVSUIUJNOA-UZLBHIALSA-N 436.549 3.892 0 40 IHAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc2c(c1)OCO2 222894826 KACYTUQZYVIBMT-NRFANRHFSA-N 440.540 3.689 0 40 IHAB CCN(Cc1ccc(C(=O)NCc2ccccc2OC)cc1)S(=O)(=O)c1ccccc1 224445375 COXVUTIXNTXFKN-UHFFFAOYSA-N 438.549 3.836 0 40 IHAB COc1ccc(CN(C(=O)CCc2ccc3c(c2)OCO3)[C@H](C)C(=O)NCC(C)C)cc1 224480185 ZKSQGJDBTWRGSG-GOSISDBHSA-N 440.540 3.546 0 40 IHAB CCOC(=O)CN(c1cccc(OCC)c1)S(=O)(=O)c1ccc(Br)cc1 224738708 AJHLJRQTNSOACW-UHFFFAOYSA-N 442.331 3.606 0 40 IHAB CC[C@@H](NC(=O)[C@@H](CC)N(c1cccc(OC)c1)S(C)(=O)=O)c1ccc(OC)c(C)c1 225315641 GXLFVAXGAZANIM-NHCUHLMSSA-N 448.585 3.824 0 40 IHAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)COc1ccccc1OC 225523538 ZGDYUCDWQFJBMQ-HSZRJFAPSA-N 446.547 3.769 0 40 IHAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2OC)cc1C(=O)N1CCCCCC1 225857369 WPEWAIPZTPVOLR-QGZVFWFLSA-N 446.569 3.760 0 40 IHAB CC[C@H](C)[C@@H]1N=C2c3ccccc3N=C(SCC(=O)N3C[C@H](C)C[C@@H](C)C3)N2C1=O 248162282 HSJZPQWHEUGUNT-DICRZQGBSA-N 426.586 3.929 0 40 IHAB O=C(CCc1nc(O)c2ccccc2n1)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@@H]34)[C@@H]21 257198537 BYQRZZAKUKCZOI-CFGBTRHTSA-N 432.568 3.690 0 40 IHAB Cc1cccnc1Nc1ccc([C@H]2CN(S(=O)(=O)Cc3cccc(F)c3)CCO2)nc1 257284333 PCGJXPBNOACAPO-OAQYLSRUSA-N 442.516 3.571 0 40 IHAB NC(=O)C[C@@]1(COc2ccccc2)CCCN(C(=O)c2ccccc2Br)C1 257303509 SHNOUIDHTJGEAO-NRFANRHFSA-N 431.330 3.626 0 40 IHAB Cc1nc([C@H]2CCCN(C(=O)c3ccccn3)C2)nc(C)c1CC(=O)Nc1ccccc1F 257309857 UCRAULVOMDIING-SFHVURJKSA-N 447.514 3.829 0 40 IHAB CC(=O)O[C@@H]1C[C@]2(O)[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@H]1c1ccc(=O)oc1 257570271 VOZHMAYHYHEWBW-COOSPJKXSA-N 444.568 3.784 0 40 IHAB FC(F)(F)c1cc(N2CCc3ccccc3C2)nc(NC(=S)NC[C@H]2CCCO2)n1 260710411 HDICVLTYFMZKMR-OAHLLOKOSA-N 437.491 3.524 0 40 IHAB Cc1cccc(N([C@H](C)C(=O)NCCOc2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c1 260932747 MUJNTNNNVFVPAF-GOSISDBHSA-N 432.586 3.642 0 40 IHAB CC(C)n1cnc([C@@H]2CN(C(=O)c3cccs3)C[C@@]23CCN(Cc2cccnc2)C3=O)c1 306127643 GEASPEKFKMEITK-CYFREDJKSA-N 449.580 3.579 0 40 IHAB O=C(COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)N1CCCCCC1 408527635 FCXUHHSKFPCRAQ-UHFFFAOYSA-N 428.554 3.610 0 40 IHAB CCOC(=O)COc1ccc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)cc1OC 408780320 AYQPFGSJXXMQMA-JPFXZVHCSA-N 442.537 3.799 0 40 IHAB Cc1nc2s/c(=C\c3c(C)n(Cc4ccccc4)c4c(C)cccc34)c(=O)n2c(=O)c1C 409039774 SDFPFGICVAIGOP-XKZIYDEJSA-N 441.556 3.901 0 40 IHAB COc1ccc([C@H]2[C@H](NC(=O)c3ccc(C)cc3)C(=O)N/[N+]2=C\c2ccc(Cl)cc2)cc1 409057314 JRGROZKRZOXDKF-WAUWHALJSA-O 448.930 3.673 0 40 IHAB CN1C(=O)c2ccc(-c3ccc(F)cc3F)cc2O[C@H]2CN(Cc3nccs3)C[C@H]21 514290243 WRHHMVKFVPNYDF-QUCCMNQESA-N 427.476 3.806 0 40 IHAB biogenic,in-vitro CN1C(=O)COc2cc(NC(=O)NCc3ccc(CN4CCc5ccccc54)cc3)ccc21 584877716 KPAJEULTOSMVFQ-UHFFFAOYSA-N 442.519 3.926 0 40 IHAB CCOc1cccc2c1OCCCCCNC(=O)CN(Cc1cccc(OC)c1OC)C2 643574825 SZBQNGZGKVDGSZ-UHFFFAOYSA-N 442.556 3.784 0 40 IHAB CCOc1ccc(NC(=S)N(CCO)Cc2cc3cc(CC)ccc3[nH]c2=O)cc1 916824 FEPHJVFKTCQTKD-UHFFFAOYSA-N 425.554 3.681 0 40 IHAB C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnc(NC(=O)c2ccc(F)cc2F)s1 1381599 HZXZQOWKOKLAIM-QWRGUYRKSA-N 426.514 3.950 0 40 IHAB O=C(Nc1nnc(SCc2ccc(F)cc2)s1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 3347450 CRHQHLMRJUQWJD-MRXNPFEDSA-N 442.541 3.957 0 40 IHAB COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3CCCCCC3)cc2c1 6282650 GCRITCMZMXDLIG-QHCPKHFHSA-N 444.539 3.537 0 40 IHAB COc1cc(NC(=O)NC[C@H]2CN(c3cccc(Cl)c3)C(=O)O2)cc(OC)c1OC 8839553 YCRUTPFINWBMMC-HNNXBMFYSA-N 435.864 3.513 0 40 IHAB CC(=O)Nc1sc(C)c(C)c1C(=O)OCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 8881679 ZWKCKWQPUJFMEN-UHFFFAOYSA-N 431.539 3.857 0 40 IHAB CCOc1ccc2nc(NC(=O)[C@@H]3CC(=O)N(c4cc(OC)ccc4OC)C3)sc2c1 9095625 NAEVNPSEFPASCL-CYBMUJFWSA-N 441.509 3.704 0 40 IHAB CCc1nnc2n1N[C@H](c1ccc(OC)cc1)[C@@H](C(=O)Nc1cccc(Cl)c1)S2 9197199 SZOCQUQPMLFMIZ-MSOLQXFVSA-N 429.933 3.900 0 40 IHAB COc1cccc(N2CCN(C(=O)Cn3c(-c4cscn4)nc4ccccc43)CC2)c1 9337980 GGXGOYQHHILKOU-UHFFFAOYSA-N 433.537 3.517 0 40 IHAB O=C(/C=C/c1ccccc1)N(Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 9346104 GPIHVVIEAMQCHJ-JBVUFVISSA-N 434.355 3.678 0 40 IHAB Cc1c(Cc2ccc3c(c2)OCO3)sc(NC(=O)CCOc2ccccc2)c1C(N)=O 9390704 RHLFBJGVMSSEFD-UHFFFAOYSA-N 438.505 3.883 0 40 IHAB CCn1c(SCC(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)nnc1-c1cccs1 9493536 DUQGFRYWLPMVSF-QLFBSQMISA-N 436.603 3.603 0 40 IHAB O=C(C(=O)N1CCc2ccccc21)c1cn(CC(=O)N2CCCCCC2)c2ccccc12 9519468 MQRJCVZSZDPEBR-UHFFFAOYSA-N 429.520 3.816 0 40 IHAB CCOc1ccc(/N=c2\scc(-c3ccc(OC)c(OC)c3)n2N2CCOCC2)cc1 9707472 NMMKNUUMNIJQPG-VHXPQNKSSA-N 441.553 3.833 0 40 IHAB CCCCn1c(SCc2cn3cccc(C)c3n2)nc2cc(S(N)(=O)=O)ccc21 9986227 LCQJQWYWQFXXDF-UHFFFAOYSA-N 429.571 3.732 0 40 IHAB CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 10039837 JYNZSXGZCQXSHB-XVPJOVGPSA-N 441.572 3.862 0 40 IHAB Cc1cccc(N2CCN(C(=O)CN3CCC[C@@H]3c3ccc4c(c3)OCCCO4)CC2)c1 10055806 QOQPFBIJCVHECR-HSZRJFAPSA-N 435.568 3.642 0 40 IHAB O=C(CSc1nnc(CN2CCCCC2)n1Cc1ccccc1)NCc1ccccc1 10289411 RABOMJRRHAEQEN-UHFFFAOYSA-N 435.597 3.721 0 40 IHAB Cc1ccc(C)c(N([C@H](C)C(=O)Nc2ccccc2Br)S(C)(=O)=O)c1 10333454 CSZBRFKWNJVTOQ-CQSZACIVSA-N 425.348 3.859 0 40 IHAB CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccc4c(c3)NC(=O)[C@H](C)S4)n2)o1 12050735 QMHOPYTZNFJGEB-JTQLQIEISA-N 442.522 3.724 0 40 IHAB CCOc1ccc(NC(=O)CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1OCC 12326863 OYSCWCCEFPWDGV-GOSISDBHSA-N 425.529 3.773 0 40 IHAB COC(=O)c1cccc(CNC(=O)CSc2cc(C)c3c(OC)ccc(OC)c3n2)c1 12446554 IYUCWRKKIHILHE-UHFFFAOYSA-N 440.521 3.756 0 40 IHAB CC(=O)c1ccc(N2CCN(Cn3ncn(-c4ccccc4C)c3=S)CC2)c(F)c1 12514953 RGDTWDCHDPRRID-UHFFFAOYSA-N 425.533 3.833 0 40 IHAB O=C1Nc2cc(C(F)(F)F)ccc2S[C@@H]1CC(=O)N1CCN(c2ccccc2)CC1 12563336 SXPJJKDZNPFUNU-GOSISDBHSA-N 435.471 3.857 0 40 IHAB COCCn1c(SCC(=O)N2c3ccc(F)cc3CC[C@H]2C)nc2ccccc2c1=O 12707326 HRFFNEFNTMXJSX-OAHLLOKOSA-N 441.528 3.642 0 40 IHAB CN(C[C@@H](O)c1ccc(O)cc1)C(=O)COc1ccc2c(=O)c(-c3ccccc3)coc2c1 12898167 NNTGFFPEVLAJSN-HSZRJFAPSA-N 445.471 3.736 0 40 IHAB biogenic COCCn1c(S[C@@H](C(=O)N2CCCCC2)c2ccccc2)nc2ccccc2c1=O 12925486 NMGJACXEEHUNIR-OAQYLSRUSA-N 437.565 3.889 0 40 IHAB O=C(N[C@H](c1ccc(F)cc1)c1cccs1)c1ccc(N2CCCS2(=O)=O)cc1 12989206 JLBIXAJGMKAXRA-HXUWFJFHSA-N 430.526 3.947 0 40 IHAB O=C1Nc2ccccc2O[C@@H]1CC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 12994412 RHUYPZNXIPZELK-XMMPIXPASA-N 441.531 3.710 0 40 IHAB NC(=O)c1c(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)sc2c1CCCC2 13100814 IOQNLBBCXHJRIH-CQSZACIVSA-N 445.972 3.870 0 40 IHAB O=C(NCCc1c[nH]c2ccccc12)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 13108009 VWYURIQPSVHQTB-GHRIWEEISA-N 437.565 3.539 0 40 IHAB O=C(N[C@@H]1CCSc2c(F)cccc21)c1ccc(S(=O)(=O)N2CCCCC2)cc1 14237294 XKGSGBZTQLVOJW-LJQANCHMSA-N 434.558 3.967 0 40 IHAB Cc1cccc(CN2CCN(c3ccc(S(=O)(=O)N(C(C)C)C(C)C)cn3)CC2)c1 14245278 QABQDKKREOPWNB-UHFFFAOYSA-N 430.618 3.520 0 40 IHAB COc1ccc(NC(C)=O)cc1NC(=O)CSc1nc(/C=C/c2cccs2)n[nH]1 14335125 LTJRIQDFYBZYQN-SOFGYWHQSA-N 429.527 3.734 0 40 IHAB CCOC(=O)C[C@H](NC(=O)c1cc2c(=O)n3ccccc3nc2s1)c1ccc(C)cc1 15441506 CKNIFRMPJJTQQY-KRWDZBQOSA-N 435.505 3.642 0 40 IHAB O=C(CNC(=O)c1ccccc1)Nc1ncc(Cc2ccc(Br)cc2)s1 15584535 NTGUZCFXADHETD-UHFFFAOYSA-N 430.327 3.865 0 40 IHAB O=C(NC[C@H](c1cccs1)N1CCCC1)c1cc(-c2ccc3c(c2)OCCO3)on1 15859659 MUCOJFNPVCKEBZ-QGZVFWFLSA-N 425.510 3.741 0 40 IHAB S=C(NNC(=S)Nc1cccc(Cl)c1)NNC(=S)Nc1cccc(Cl)c1 16399030 YCAYNHBETFXHDE-UHFFFAOYSA-N 445.426 3.561 0 40 IHAB Cc1cc(O[C@H](C)C(=O)N(Cc2ccccc2F)[C@H]2CCS(=O)(=O)C2)ccc1Cl 16806605 ZCPIHXJQQDDYRO-WBVHZDCISA-N 439.936 3.771 0 40 IHAB Cc1ccc2[nH]cc(CCN3C[C@@H](C(=O)Nc4nnc(C(C)(C)C)s4)CC3=O)c2c1 18217640 LNJVUGMWKYBBEN-HNNXBMFYSA-N 425.558 3.655 0 40 IHAB Cc1ccc2c(c1)cc(C(=O)N1CCC[C@@H]1c1nc(O)c3c(n1)CN(C(C)C)CC3)n2C 19221208 BBVDPKRNXYXNIK-OAQYLSRUSA-N 433.556 3.726 0 40 IHAB COc1ccc(CN2CCc3nc4c(C)csc4c(=O)n3CC2)cc1Br 19240303 FHPWJFRHUTWNQM-UHFFFAOYSA-N 434.359 3.596 0 40 IHAB CCN1CC[C@@]2(CCC1=O)C[C@@H](NC(=O)Cn1c(C)nc3ccccc31)c1ccccc1O2 19527089 XZRDJNAXXGIBED-RLWLMLJZSA-N 446.551 3.756 0 40 IHAB CCNC(=O)[C@@]1(Cc2ccccc2-c2cccc(C)c2)CCN(C(=O)c2ccc(N)nc2)C1 19529010 JHLATBSWLHNDIB-HHHXNRCGSA-N 442.563 3.850 0 40 IHAB COc1ccccc1-c1ccccc1C[C@H]1CN(C(=O)c2ccccn2)CCN(C)C1=O 19589626 UZTPXCSFAZYARJ-FQEVSTJZSA-N 429.520 3.530 0 40 IHAB Cc1cc(C(=O)N2CCO[C@@H](c3ccc(-c4cccc(Cl)c4)cn3)C2)nc(N(C)C)n1 19693522 SWSFYQGLAJPVAZ-OAQYLSRUSA-N 437.931 3.780 0 40 IHAB Cc1nc([C@@H]2CCCN(C(=O)Cc3ccccc3)C2)ncc1C(=O)NCc1ccc(F)cc1 19751931 WIRKCUGGCIGYDA-OAQYLSRUSA-N 446.526 3.803 0 40 IHAB Cn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccc(Br)cc1 19854032 OHPQJOIHUNXAMY-UHFFFAOYSA-N 447.314 3.704 0 40 IHAB COc1ccc([C@@H](C)NC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 20024552 MZGKZKFYHCUEQO-GOSISDBHSA-N 430.570 3.680 0 40 IHAB COc1ccc(C(=O)Nc2cc(F)ccc2F)cc1S(=O)(=O)NCCc1ccccc1 20025180 KLFWXBHLXHPYPY-UHFFFAOYSA-N 446.475 3.747 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(F)cc2)c2ccc(F)cc2)cc1 20111197 UPBJCOFQAQEHLU-UHFFFAOYSA-N 430.476 3.785 0 40 IHAB CCOc1ccc([C@H](CNC(=O)c2nccnc2N)c2c[nH]c3ccccc23)cc1OC 21407557 QGMPKMOCGASVET-KRWDZBQOSA-N 431.496 3.509 0 40 IHAB COc1ccc(-c2nc(C)c(C(=O)Nc3ccc(N4CCOCC4)nc3)s2)cc1OC 21589795 KAJJVXRSEVOGBV-UHFFFAOYSA-N 440.525 3.620 0 40 IHAB CN(c1ccc(OCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1)S(C)(=O)=O 22230664 PNYWNHUVNUTSOM-UHFFFAOYSA-N 438.549 3.690 0 40 IHAB CCc1ccc(N(CC(=O)NCCCc2cccc(OC(C)C)c2)S(C)(=O)=O)cc1 22361653 BDSIWKDVHKMCAW-UHFFFAOYSA-N 432.586 3.551 0 40 IHAB c1ccc2c(c1)nnn2[C@@H]([C@H](N1CCCCC1)n1nnc2ccccc21)N1CCCCC1 22937488 SQABCDAIPVEETJ-PSWAGMNNSA-N 430.560 3.845 0 40 IHAB COc1ccc(NC(=O)Cn2cccc(-c3nc(-c4ccccc4)no3)c2=O)cc1Cl 23125838 SOCRAHVBXMXSQD-UHFFFAOYSA-N 436.855 3.866 0 40 IHAB O=C(CN1CCN(Cc2cccc3ccccc23)CC1)c1ccc(N2CCCC2=O)cc1 23247926 IKCBDNBIUNVJKK-UHFFFAOYSA-N 427.548 3.967 0 40 IHAB COc1ccc(C(=O)[C@H]2[C@H](c3ccc(C(C)C)cc3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 25581100 BHFXHZDHXBBNKM-LQWHRVPQSA-N 436.430 3.923 0 40 IHAB COc1ccc(NC(=O)c2ccc(NC3=NS(=O)(=O)c4ccccc43)cc2)cc1OC 27064500 LLLAQMXOPOBDFB-UHFFFAOYSA-N 437.477 3.517 0 40 IHAB COc1ccc(OC)c(CN(C2CC2)S(=O)(=O)c2ccc(Br)cc2)c1 28055931 VZOYIUQGIAFBJQ-UHFFFAOYSA-N 426.332 3.820 0 40 IHAB CC(C)c1ccc(-c2nnn(CC(=O)N3CCC[C@H]3c3ccc4c(c3)OCCCO4)n2)cc1 32573782 CCRXNWHXPQYDDA-NRFANRHFSA-N 447.539 3.989 0 40 IHAB Cn1c(SCc2nc(-c3ccc(Cl)cc3)no2)nc2cc3c(cc2c1=O)OCO3 33279699 RZYJBUFBLGUUET-UHFFFAOYSA-N 428.857 3.658 0 40 IHAB O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C\c1ccc(Br)o1 35043123 NYAPRGYNYFQRPC-PTNGSMBKSA-N 436.306 3.974 0 40 IHAB CSc1ccc(Cc2nnc(NC(=O)CCCS(=O)(=O)c3ccc(F)cc3)o2)cc1 35588372 PGPNJOHJEUQSNS-UHFFFAOYSA-N 449.529 3.714 0 40 IHAB CSCC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1nnc2ccccn12 36367301 GKKYYNLCOIISLH-CYBMUJFWSA-N 431.370 3.809 0 40 IHAB O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2cccnc2-n2cnc3ccccc32)C1 36395513 HLZFNFZMJVMSHV-SFHVURJKSA-N 425.492 3.911 0 40 IHAB NS(=O)(=O)c1ccc(NC(=O)Cn2ccc3ccc(OCc4ccccc4)cc32)cc1 40286917 SUZUCQOSHMIYDY-UHFFFAOYSA-N 435.505 3.506 0 40 IHAB COc1cc(NC(=O)NCC2CCN(C(=O)Nc3ccc(F)cc3)CC2)cc(OC)c1 44006087 OZQZYKVWEKIGKI-UHFFFAOYSA-N 430.480 3.909 0 40 IHAB CCc1cccc(C)c1NC(=O)Cn1c(=O)n(CCc2ccccc2)c(=O)c2ccccc21 44839593 SZNWZLNZJCIPIZ-UHFFFAOYSA-N 441.531 3.915 0 40 IHAB COC(=O)Cn1c2c(sc1=O)[C@@H](c1ccc(F)c(F)c1F)CC(=O)N2c1ccccc1 49544190 HHELVCKUXWQABY-CYBMUJFWSA-N 448.422 3.700 0 40 IHAB O=C(NCCOc1ccc(F)cc1)[C@H]1CCCN(c2ccc(-c3cccs3)nn2)C1 56903816 FCJJLNGKSUFUQD-INIZCTEOSA-N 426.517 3.756 0 40 IHAB COc1cc(OC)c(NC(=O)Cn2c(Nc3cccc(F)c3)nc(C)cc2=O)cc1Cl 57506276 AGHYQIBTHYIWRY-UHFFFAOYSA-N 446.866 3.744 0 40 IHAB CCC[C@@H](C)NC(=O)[C@H]1CCCN(Cc2cc3c(cc2Br)OCCO3)C1 58312348 WCDUNZXTKJKEQM-CABCVRRESA-N 425.367 3.737 0 40 IHAB Cc1nn(C[C@H](O)c2ccccc2Cl)c(C)c1S(=O)(=O)N1CCc2ccccc21 58393432 GEQZGKIRDFODOC-FQEVSTJZSA-N 431.945 3.638 0 40 IHAB O=C(CSc1ccc2ccccc2c1)Nc1ccccc1-n1ncc2c(=O)[nH]cnc21 71837492 MKFUREXKPXIWBG-UHFFFAOYSA-N 427.489 3.993 0 40 IHAB Cc1ccc([C@H](CNc2cc(Cn3c(C)nc4ccccc4c3=O)nc(C)n2)N(C)C)cc1 72373245 KAKQLCOSBVGRNJ-DEOSSOPVSA-N 442.567 3.875 0 40 IHAB CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)c1csc(-c2cnn(C)c2)n1 79022713 VVJKIYOKEHFHFT-UHFFFAOYSA-N 439.541 3.821 0 40 IHAB Cc1nc(N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc(-n2cccc2)n1 90607875 UYYPJTFSEGOAQY-UHFFFAOYSA-N 430.434 3.949 0 40 IHAB COc1cc([C@@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)c(Br)cc1O 95381831 VGWDFXACJVBKKS-CWTRNNRKSA-N 433.302 3.909 0 40 IHAB Cc1ccc(N2C(=O)C[C@H](N3CCC(C(=O)Nc4ccccc4)CC3)C2=O)cc1Cl 96126926 HBOVLPFFCDBZFD-FQEVSTJZSA-N 425.916 3.631 0 40 IHAB CC(C)Oc1ccc(CNC(=O)CCCN(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 113966420 GSAZEFXGVKVIGF-UHFFFAOYSA-N 440.512 3.615 0 40 IHAB CCOc1cccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)c1 216253898 IIEKWBUWTQLXFJ-UHFFFAOYSA-N 436.961 3.843 0 40 IHAB CCOC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)c1C 220001858 SGEBFZAPJJVSSH-UHFFFAOYSA-N 444.553 3.845 0 40 IHAB CCOc1ccc(CCCNC(=O)c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)cc1 220002974 WHZMPXHJUFOBJR-UHFFFAOYSA-N 444.597 3.869 0 40 IHAB Cc1ccc([C@H](C)NC(=O)CN(c2ccc(C(F)(F)F)cc2)S(C)(=O)=O)c(C)c1 220050613 BBNGZHYUYQMOOD-HNNXBMFYSA-N 428.476 3.966 0 40 IHAB COc1ccc(N(CCCC(=O)Nc2ccccc2Br)S(C)(=O)=O)cc1 222598942 UBLCXCSARURJHN-UHFFFAOYSA-N 441.347 3.643 0 40 IHAB CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CSCc1c(F)cccc1Cl 222828808 HEKBJQNBVQVPCZ-CQSZACIVSA-N 438.952 3.884 0 40 IHAB CN(C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(Br)cs1 223211771 WELISPTVCSGYQY-HOTGVXAUSA-N 425.421 3.830 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccc(F)cc3)cc2C)cc1 224014937 BQRBGCAKFZYSFT-UHFFFAOYSA-N 428.485 3.874 0 40 IHAB Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)NCCCN2CCC(C)CC2)c1 224123291 IUWRYKRAJUDUIE-UHFFFAOYSA-N 443.613 3.672 0 40 IHAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N[C@@H](CC(C)C)c1ccccc1 224295271 BRQUSVXDKKGQAV-NRFANRHFSA-N 432.586 3.782 0 40 IHAB CSc1ccccc1N(CCCC(=O)NCCc1ccc(Cl)cc1)S(C)(=O)=O 224878933 GKOSVRGULDNEAS-UHFFFAOYSA-N 441.018 3.967 0 40 IHAB CCCC[C@H](CC)CNS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1 225121059 CWORIIDGCNHYDD-LBPRGKRZSA-N 430.983 3.939 0 40 IHAB Cc1cc(N2CCN(c3ccccc3)CC2)nc(NC(=S)NCc2ccc(F)cc2)n1 225949102 ZYOMTUNGSRQNTF-UHFFFAOYSA-N 436.560 3.737 0 40 IHAB Cc1cc(N2CCOCC2)nc(NC(=S)NCC2(c3ccccc3)CCCCC2)n1 225983868 UDGXRSOXZGYTDX-UHFFFAOYSA-N 425.602 3.810 0 40 IHAB CNc1nc(-c2ccc(OC)c(NC(=O)c3cn4c5c(cccc5c3=O)CC4)c2)cs1 226093776 HZSYYJXKOYHILA-UHFFFAOYSA-N 432.505 3.984 0 40 IHAB CC(C)N(C(=O)CN1CCO[C@H](c2cccc(Nc3ncccn3)n2)C1)C1CCCCC1 257248193 JCOYXEDSCOBWLU-NRFANRHFSA-N 438.576 3.558 0 40 IHAB Cc1nc([C@H]2CCN(C(=O)[C@H](C)c3ccccc3)C2)nc(C)c1CC(=O)N1CCCCC1 257306536 SUQXHWUSODXXQG-GCJKJVERSA-N 434.584 3.768 0 40 IHAB Cc1cc(C)nc(Nc2ccc([C@H]3CN(C(=O)c4ccc5ncccc5c4)CCO3)nc2)n1 257337857 YUSOWWZOMNFXPG-HSZRJFAPSA-N 440.507 3.994 0 40 IHAB CN([C@@H](C(=O)N[C@H]1CC2(CCCCC2)Oc2ccccc21)c1ccccc1)S(C)(=O)=O 260762389 IIASDJQBYJLCNS-RBBKRZOGSA-N 442.581 3.962 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCCCCCC3)CC2)cc1Cl 408584705 UADSEFUOYQNBTE-UHFFFAOYSA-N 443.009 3.978 0 40 IHAB Cc1cc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c(C)cc1Br 408647052 SBSWQARHYLIZMO-OAHLLOKOSA-N 445.313 3.601 0 40 IHAB Cc1cccc(N(CCCC(=O)Nc2cccc(Br)c2)S(C)(=O)=O)c1 408693199 KTYUQMCECPOYOH-UHFFFAOYSA-N 425.348 3.942 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1cccc(OC(C)C)c1 408700570 HZUMHRWPYYHESM-UHFFFAOYSA-N 432.542 3.909 0 40 IHAB CCc1ccc(-n2c(SCC(=O)NCCCOC)nc3sc(C)c(C)c3c2=O)cc1 409203540 YRQYTLLINUGAPQ-UHFFFAOYSA-N 445.610 3.871 0 40 IHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 575612426 AELGBLWPXFCOPF-UHFFFAOYSA-N 428.842 3.655 0 40 IHAB O=C(Nc1cc(F)c(F)c(F)c1)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O 578494681 HZNHTGNTKKSFAM-AWEZNQCLSA-N 433.308 3.930 0 40 IHAB Cc1cc(C)nc(N2CCC3(CC2)Cc2ccccc2CN(Cc2ccncc2)C3=O)n1 585105834 RZXNTJNMHQQOKF-UHFFFAOYSA-N 427.552 3.860 0 40 IHAB O=C([C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc2ccccc2c1)N1CCc2n[nH]cc2C1 586816711 GOYQPEIIHAMXGJ-IGKWTDBASA-N 428.536 3.921 0 40 IHAB COc1ccc(CCNC(=O)C[C@H](c2ccc(OC)cc2)c2oc(C)cc(=O)c2O)cc1 1547138945 IHMDNSKSHPVIHU-OAQYLSRUSA-N 437.492 3.552 0 40 IHAB biogenic CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cnc(-c3cnc4ccc(Cl)cn34)s2)C1 2037835063 VPOOIKQZYWZRQQ-CYBMUJFWSA-N 447.948 3.850 0 40 IHAB COc1ccc(OCC(=O)NC(=S)Nc2cc3nn(-c4ccccc4)nc3cc2C)cc1 724445 WHXMEGJUNRHSSW-UHFFFAOYSA-N 447.520 3.630 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CSc2nnc(CNc3ccc(C)cc3)n2C)cc1 862130 MDWLYGZQGUZJCS-UHFFFAOYSA-N 439.541 3.643 0 40 IHAB O=C(O)CCCC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc(Br)cc2)cc1 993365 MSYQKDSHZRWZLQ-UHFFFAOYSA-N 448.269 3.682 0 40 IHAB O=C1N(c2ccc(Br)cc2)[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1 1019919 GGYOGWRQNSLJHA-CVEARBPZSA-N 441.734 3.715 0 40 IHAB CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2ccc(Br)cc2)NC(=O)N1 4066275 BCMOSAMLFLEOEP-SFHVURJKSA-N 431.286 3.699 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)CCc2ccccc2)c1 5200096 BSHWANGIDJTZNT-UHFFFAOYSA-N 429.586 3.889 0 40 IHAB Cc1cc(=O)oc2c3c(cc(OCC(=O)N=c4[nH]c5ccccc5[nH]4)c12)OC(C)(C)CC3 8791919 NGUSDKDYLGLUBN-UHFFFAOYSA-N 433.464 3.521 0 40 IHAB biogenic CC(C)NC(=O)NC(=O)COC(=O)c1ccc(CSc2nc3ccccc3s2)cc1 8825297 KZMWZHNXRFSQAO-UHFFFAOYSA-N 443.550 3.980 0 40 IHAB CCCC1=C(C(=O)OCC)S[C@@]2(SC(C(=O)OCC)=NN2c2ccccc2)N1C 9431008 PWTVRIVLZWUBTP-HXUWFJFHSA-N 435.571 3.981 0 40 IHAB O=C(Nc1ccccc1)C1CCN(C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)CC1 9462371 LGOVBKVFVDISCL-UHFFFAOYSA-N 425.916 3.958 0 40 IHAB O=C(Nc1nc(CC(=O)N2CCN(c3ccccc3Cl)CC2)cs1)NC1CCCC1 9573680 DRZOKKAYDTWYDE-UHFFFAOYSA-N 447.992 3.752 0 40 IHAB COc1ccc(NC(=O)CCOc2cc(C)ccc2C)cc1S(=O)(=O)N1CCCCC1 9666153 SMTUAYSQVZOJBI-UHFFFAOYSA-N 446.569 3.894 0 40 IHAB CN(C)c1ccc([C@@H](CNC(=O)CCNC(=O)c2ccco2)c2c[nH]c3ccccc23)cc1 9711875 CRNJLLCPMMHAAN-OAQYLSRUSA-N 444.535 3.895 0 40 IHAB COc1ccc([C@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3ncnn32)cc1OC 9906961 CMWPIWMASQYCMM-IBGZPJMESA-N 425.876 3.876 0 40 IHAB CCN(CC(=O)NCc1cccs1)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 10219758 JKMAQPXKZVREIA-UHFFFAOYSA-N 440.896 3.747 0 40 IHAB COC(=O)c1cc(NC(=O)[C@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)ccc1Cl 10332507 XDVDNWQARNLINK-AWEZNQCLSA-N 438.933 3.537 0 40 IHAB Cc1cc(NC(=O)COC(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)n(C)n1 10559081 ZUUURAIYBOVWEV-UHFFFAOYSA-N 432.484 3.517 0 40 IHAB COCCn1c(SCC(=O)Nc2cccc3ccccc23)nc2c(c1=O)S[C@@H](C)C2 11726535 NFEOJENHACTIHR-AWEZNQCLSA-N 441.578 3.810 0 40 IHAB CCCC(CCC)C(=O)NCCn1ncc2c(=O)n(Cc3cccc(Cl)c3)cnc21 12071374 KUHSWACOROZIRG-UHFFFAOYSA-N 429.952 3.627 0 40 IHAB O=C(CCC(=O)N1CCC(c2ccccc2)=N1)Nc1ccnn1Cc1ccc(Cl)cc1 12817125 HXEYTCGPTHMXJA-UHFFFAOYSA-N 435.915 3.940 0 40 IHAB O=c1c2cnn(-c3cccc(C(F)(F)F)c3)c2ncn1Cc1nc(-c2ccsc2)no1 12894605 JEFQVHKLQOOXME-UHFFFAOYSA-N 444.398 3.761 0 40 IHAB CCOc1cc(/C=C/C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)ccc1OCc1ccccc1 13030422 XDORPKLHNXXLJU-KONDSOJQSA-N 443.565 3.713 0 40 IHAB O=C1CCCN1c1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 13163538 UDVHVRLGECUYIL-UHFFFAOYSA-N 441.578 3.991 0 40 IHAB COc1cc(OC)c([C@@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C3=C2C(=O)OC3)cc1OC 13567581 FMBPTUGISKHUMH-ZDUSSCGKSA-N 447.846 3.836 0 40 IHAB O=C(c1ccccc1)c1ccc(OCC(=O)N2CCC[C@@H]2c2nnc3ccccn23)cc1 14233085 LOGAMBWLQKGPNH-OAQYLSRUSA-N 426.476 3.703 0 40 IHAB O=C(Nc1cc(F)cc(F)c1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F 16305497 WYPFQRRFHQPJLR-IBGZPJMESA-N 434.439 3.632 0 40 IHAB COc1ccc(-c2ccc(=O)n(Cc3nc(-c4ccccc4Br)no3)n2)cc1 16845925 VMXNVFPMCLZHEG-UHFFFAOYSA-N 439.269 3.780 0 40 IHAB COC(=O)c1cc(NC(=O)c2csc(COc3ccc(C)cc3)n2)cc(C(=O)OC)c1 18230511 POQGFWDPRICIJD-UHFFFAOYSA-N 440.477 3.856 0 40 IHAB COc1ccc(C)cc1CC(=O)NCCn1cc(-c2ccc(F)cc2)c(-c2nccn2C)n1 19133152 BGBBIPACQRJSGO-UHFFFAOYSA-N 447.514 3.766 0 40 IHAB Cc1cnc(C(=O)N2CCC[C@@H](c3cc(NC(C)C)nc(-c4cnc(C)s4)n3)C2)cn1 19238864 RCWYSYCUEIRMLX-MRXNPFEDSA-N 437.573 3.847 0 40 IHAB CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CN(C(=O)c2ccccn2)CCO1 19449712 NXJAYMDGGBFHDZ-HHHXNRCGSA-N 443.547 3.727 0 40 IHAB COc1cccc(-c2cccc(C[C@@H]3CN(C(=O)c4ccccc4OC)CCNC3=O)c2)c1 19566702 MWJNZFKJIZJERK-JOCHJYFZSA-N 444.531 3.802 0 40 IHAB COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2CCCCN2C(=O)c2n[nH]c3c2CCC3)cc1 19694289 ATWMPCAZDOBDLD-NRFANRHFSA-N 446.555 3.797 0 40 IHAB CCc1n[nH]c(C(=O)N2CCC[C@H]2c2ncc(C(=O)Nc3ccccc3OC)c(C)n2)c1C 19755441 AGHJRRFQRSUYFP-IBGZPJMESA-N 448.527 3.617 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(F)cc2)C2CCCCC2)cc1 20015520 YUUMXMTYFJZDMQ-UHFFFAOYSA-N 448.560 3.864 0 40 IHAB COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc3c(c2)OCO3)C12CCCCC2 20738473 OYMJMUIWPAGVNB-JOCHJYFZSA-N 436.508 3.943 0 40 IHAB CC[C@@H](NC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O)c1ccc(OC)c(OC)c1 22330429 NPISNTKUUZEJTM-HXUWFJFHSA-N 448.585 3.861 0 40 IHAB COc1cc(CC(=O)Nc2nc(C)c(-c3nccn3C(F)F)s2)cc(OC)c1OC 22472592 NYDGNZLZRQWOTB-UHFFFAOYSA-N 438.456 3.917 0 40 IHAB COc1ccc(S(=O)(=O)N2CCN(Cc3csc(-c4ccc(C)cc4)n3)CC2)cc1 23754960 NELLUZKRAXPXAR-UHFFFAOYSA-N 443.594 3.634 0 40 IHAB Cc1nc(NC[C@H]([C@H]2CCOC2)N2CCOCC2)c2c(-c3cccs3)csc2n1 24204159 YCCYODKOGVYWTI-DOTOQJQBSA-N 430.599 3.877 0 40 IHAB O=C(c1cc(Br)ccc1Cl)N1CCN(Cc2ccc3c(c2)CCO3)CC1 24258131 ZRDMZPADVBBEJO-UHFFFAOYSA-N 435.749 3.995 0 40 IHAB O=C(Nc1cccc(I)c1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 24433073 VCIMOVYXJAJAFS-INIZCTEOSA-N 436.249 3.661 0 40 IHAB Cc1nc(CN2CCN(C(=O)c3cc(-c4ccco4)nn3-c3ccccc3)CC2)cs1 24864347 JNEJJPNMYQSQLS-UHFFFAOYSA-N 433.537 3.855 0 40 IHAB O[C@H](COCc1ccc2c(c1)OCO2)CN1CCC[C@@H](c2nc3ccccc3s2)C1 25664398 VEXOBJRUMPTMPY-MSOLQXFVSA-N 426.538 3.782 0 40 IHAB CCn1c2ccccc2c2cc(NC(=O)CCn3c(=O)[nH]c(=O)c4ccccc43)ccc21 27008143 AJNLOMGUZGCAJC-UHFFFAOYSA-N 426.476 3.846 0 40 IHAB COc1cccc(C2=NN(C(=O)COc3c(C)cc(C)cc3C)[C@@](O)(C(F)(F)F)C2)c1 27570402 VQQLURCMESRZBH-NRFANRHFSA-N 436.430 3.887 0 40 IHAB C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)OCc2nnsc2Cl)c1 27940226 IYEMIDUEUKENJN-LBPRGKRZSA-N 449.941 3.688 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)n(C)c1 28729752 SROWJMGGIYXPOR-MRXNPFEDSA-N 442.006 3.676 0 40 IHAB COc1cc(Br)c(CCNC(=O)c2ccc3c(c2)OCCCO3)cc1OC 32788723 VVYHHIHHICAZBQ-UHFFFAOYSA-N 436.302 3.600 0 40 IHAB Cc1cc(NC(=O)CCNC(=O)c2ccccc2)n(-c2cccc(Br)c2)n1 32832092 WWYPDRHPXLDVCU-UHFFFAOYSA-N 427.302 3.702 0 40 IHAB CCCn1c(=O)n(CCC(=O)N2CCC[C@@H]2c2ccc(OC)c(OC)c2)c2ccccc21 32901625 AOXGCRSKOUULTB-LJQANCHMSA-N 437.540 3.984 0 40 IHAB CC(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2cc(Cl)ccc2C)nc1O 35377940 FTLDNZPKPJFZPP-UHFFFAOYSA-N 443.916 3.895 0 40 IHAB Cc1cc2nnc(SCC(=O)N3CCN(Cc4ccccc4)CC3)n2c2ccccc12 36849626 DDSZYMNZJXOWTC-UHFFFAOYSA-N 431.565 3.627 0 40 IHAB CCCCN(C(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)C1CC1 40070267 NDPXROGVNPAJGA-UHFFFAOYSA-N 432.508 3.897 0 40 IHAB Cc1nc(-c2ccsc2)sc1C(=O)NCc1ccc(N2CCCN(C)CC2)nc1 40152049 NYVQPSMDKVLNKI-UHFFFAOYSA-N 427.599 3.647 0 40 IHAB COc1cc([C@H]2OC[C@H]3[C@@H](c4ccc(OC(C)=O)c(OC)c4)OC[C@@H]23)ccc1OC(C)=O 40163537 KABPASQHFAUTDF-MCJPXMOYSA-N 442.464 3.630 0 40 IHAB Fc1ccc(-c2nnc3sc(-c4n[nH]cc4Br)nn23)cc1Br 40285463 WEMNTXRFCDXDOP-UHFFFAOYSA-N 444.087 3.907 0 40 IHAB COc1cccc(NC(=O)Cn2c(=O)n(Cc3ccc(Cl)cc3)c(=O)c3ccccc32)c1 57473035 FJWLUBXZXSKTOQ-UHFFFAOYSA-N 449.894 3.512 0 40 IHAB Cc1cc(F)ccc1NC(=O)Cn1c(=O)n(CCc2cccs2)c(=O)c2ccccc21 57473331 GRVSNAMCJLOBAK-UHFFFAOYSA-N 437.496 3.554 0 40 IHAB Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)N3CCCc4ccccc43)c2=O)c1 57489932 QWGPMDONHCLJDR-UHFFFAOYSA-N 431.517 3.502 0 40 IHAB CCOC(=O)c1ccn(-c2cccc(NC(=O)N3CCO[C@@H](c4ccc(F)cc4)C3)c2)n1 57587894 DQGFMAASMLQCRU-OAQYLSRUSA-N 438.459 3.794 0 40 IHAB Cc1cc(OCC(=O)N2CCC(c3cc4ncccc4c(=O)[nH]3)CC2)cc(C)c1Cl 57774335 NNJGNORXBVEPGE-UHFFFAOYSA-N 425.916 3.978 0 40 IHAB CN(CC(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1)C1=NS(=O)(=O)c2ccccc21 59119719 FVGTYWRNBFJZJE-SFHVURJKSA-N 431.533 3.500 0 40 IHAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)CNC(=O)c1ccccc1)CC2 72277286 UZNRHSUXNIGJDB-HSZRJFAPSA-N 436.533 3.669 0 40 IHAB O=C(CN1CCOCC1)N1CCC[C@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 72358038 SEMCWDZVRJGWFG-NRFANRHFSA-N 433.474 3.687 0 40 IHAB COc1ccc(NS(=O)(=O)c2cc(C(=O)O)c(F)cc2Br)cc1Cl 89457561 JVCZDKAWYYETSU-UHFFFAOYSA-N 438.658 3.749 0 40 IHAB Cc1ccc(C(=O)Nc2c3c(nn2CC(=O)NCCc2ccccc2)CSC3)cc1C 90557756 MUXGPNFENXJMNK-UHFFFAOYSA-N 434.565 3.858 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)N3CCC[C@@H]3c3ncc[nH]3)cc2)c1 95458559 IFQDYAAKALJUCI-LJQANCHMSA-N 425.510 3.772 0 40 IHAB CN(C)c1nccc(CN(C)c2ccc3nnc(-c4cc(Cl)cc(Cl)c4)n3n2)n1 95460574 HRYBTKDCJCAMNB-UHFFFAOYSA-N 429.315 3.591 0 40 IHAB CC(C)([C@H](NC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)c1ccc(F)c(F)c1)N1CCCC1 96011855 BWYSOYLODGAVTL-WIYYLYMNSA-N 433.543 3.645 0 40 IHAB CC(C)N1CCN(C(=O)c2cc(-c3cnc(-c4cccnc4)nc3)cn2CC2CC2)CC1 96037794 IPHDJHVLJZOIJT-UHFFFAOYSA-N 430.556 3.583 0 40 IHAB O=S(=O)(c1cccc(-c2ccc(Cl)cc2)c1)N1CCC(N2CCC[C@@H]2CO)CC1 96099766 ZRGQBNYUDUEOKZ-OAQYLSRUSA-N 434.989 3.617 0 40 IHAB O=C(c1cccc(Br)c1)N1CC[C@H](S(=O)(=O)c2ccc(Cl)cc2)C1 96103488 YDVZYODPOQGKRS-INIZCTEOSA-N 428.735 3.791 0 40 IHAB COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)ccc1O 100977244 QVKLBFGOEMTFQC-ZLNRFVROSA-N 430.460 3.760 0 40 IHAB CCc1ccc(N([C@@H](C)C(=O)NCCSc2ccc(Cl)cc2)S(C)(=O)=O)cc1 220266913 LHSZSRZZPHTCAQ-HNNXBMFYSA-N 441.018 3.965 0 40 IHAB CCOc1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC)cc1OCC 222625167 OZGQPKUJRFCUOR-QGZVFWFLSA-N 430.520 3.719 0 40 IHAB Cc1cc(C)cc(N(CC(=O)NCCOc2ccccc2)S(=O)(=O)c2ccccc2)c1 223469129 IBPWZMGMRGOEDK-UHFFFAOYSA-N 438.549 3.694 0 40 IHAB CC(C)(C)c1ccc(OCCNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 223650562 JIECNNJFJJGBTR-UHFFFAOYSA-N 444.597 3.968 0 40 IHAB COc1ccc(S(=O)(=O)N(C)c2cc(C(=O)N(C)Cc3ccco3)ccc2C)cc1 224506644 WRIRZPDPSROIBP-UHFFFAOYSA-N 428.510 3.694 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)Nc1ccc(F)c(Cl)c1 225178880 YPFWOLQBSWKNIT-UHFFFAOYSA-N 440.924 3.844 0 40 IHAB COc1ccc(C(=O)NC(=S)Nc2cccc(/C=C/C(=O)O)c2)cc1Br 226323241 HDJPPCADBNBQEA-VMPITWQZSA-N 435.299 3.682 0 40 IHAB Cc1n[nH]c(C)c1CC(=O)NC[C@@]1(c2ccccc2)CC[C@@H]2OC(C)(C)C[C@H](O)[C@H]2CC1 257255582 KIBDPMQRZMRDGU-OUVPSQHASA-N 439.600 3.742 0 40 IHAB CC(C)c1ccc(C[C@]2(C)Cc3cc(CC(=O)N(CCO)CCN(C)C)ccc3O2)cc1 257313668 UTOPCNHYFQNIAW-HHHXNRCGSA-N 438.612 3.671 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3c4ccccc4C[C@H]3C)C2)cc1Cl 260743113 NUGDSUAJDPJWHJ-NVXWUHKLSA-N 448.972 3.727 0 40 IHAB CCOc1ccccc1N(CCCC(=O)N[C@H](C)c1ccc2c(c1)CCC2)S(C)(=O)=O 260924516 IESKEYBPAPMPDL-GOSISDBHSA-N 444.597 3.998 0 40 IHAB Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)ccc1N1C(=O)[C@H]2CCCC[C@@H]2C1=O 408639395 FZESWTWOKVFQFU-QMMLZNLJSA-N 446.503 3.633 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)N1CCCc2ccccc21 408701549 ZOEAQNNIUAWPQH-UHFFFAOYSA-N 428.554 3.709 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccccc1C(F)(F)F 408703239 PYHAIJBTFXANLS-UHFFFAOYSA-N 428.432 3.751 0 40 IHAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(Cl)c2Cl)cc1 409197698 MJQIBHJSTUXXOI-UHFFFAOYSA-N 431.341 3.945 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCC(C)CC1)c1ccc(C)cc1 409393923 ZEZOHWZXCJLEHN-UHFFFAOYSA-N 430.570 3.766 0 40 IHAB CC(C)n1cccc1CNC(=O)CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12 524730154 XOEIOMABOHYAEE-HSZRJFAPSA-N 428.492 3.500 0 40 IHAB biogenic CS(=O)(=O)Nc1ccc(C(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)cc1 537918106 ZXUYVDUDSGDAKS-UHFFFAOYSA-N 425.297 3.803 0 40 IHAB COc1cc(Br)cc(S(=O)(=O)N(C)[C@H]2CCCc3nc(C)sc32)c1 546879165 LCAMMZNARYJCKD-HNNXBMFYSA-N 431.377 3.921 0 40 IHAB O=C(NC[C@H]1CC[C@@H]2CN(C(=O)c3cccnc3)c3ccccc3CN12)c1cccc(F)c1 585110131 MYYAQBIWSDULEG-DHIUTWEWSA-N 444.510 3.644 0 40 IHAB Cc1cc(C)cc(-c2ccc(CC3(C(=O)N[C@H]4CCS(=O)(=O)C4)CCOCC3)cc2)c1 585164880 XYLKIUQYPUNFDW-QHCPKHFHSA-N 441.593 3.613 0 40 IHAB O=S(=O)(c1ccc2nc(O)nc(O)c2c1)N(Cc1cc(F)ccc1F)c1ccccc1 604891455 SWPHZONVIMUGJO-UHFFFAOYSA-N 443.431 3.715 0 40 IHAB C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)N2CC(=O)NC[C@@H]2c2ccccc2)C1 1666807857 XWQSWWGCIYEUNC-KGVIQGDOSA-N 434.540 3.510 0 40 IHAB Cc1ccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 675570 KKKUKFZXKUFLIJ-UHFFFAOYSA-N 431.583 3.687 0 40 IHAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cc(OC)ccc1Br 689014 OOFOMAZIONMLDK-UHFFFAOYSA-N 438.318 3.819 0 40 IHAB COCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2cccc(Cl)c2)C1=O 2119925 HYNAKTWHUFITMM-REWPJTCUSA-N 437.927 3.543 0 40 IHAB biogenic COCCn1c(C)cc(C(=O)COC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)c1C 2617233 YVIZHWPLCZRIDK-UHFFFAOYSA-N 443.931 3.998 0 40 IHAB O=C(c1cccs1)c1nn(-c2cccc(Cl)c2)c2nc(=O)c(-c3ccccc3)nn12 3851648 JORDYKFRXUOPAQ-UHFFFAOYSA-N 433.880 3.888 0 40 IHAB biogenic CCc1ccc(OCC(=O)N(Cc2ccc(C(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 4183317 IJMCCLDAFDTGGN-JOCHJYFZSA-N 429.582 3.967 0 40 IHAB CC(=O)Nc1ccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(C(=O)c3ccccc3)C2)cc1 4237262 NDBZKXANYQTXEB-GHTZIAJQSA-N 427.504 3.733 0 40 IHAB biogenic,in-vitro CCCCOc1ccc(N2C(=O)C[C@@H](N(C)CCc3ccc(OC)c(OC)c3)C2=O)cc1 6481087 HMJURTSAHKMSOC-OAQYLSRUSA-N 440.540 3.689 0 40 IHAB Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 8187531 PJTJCCIJBBCVPU-UHFFFAOYSA-N 427.574 3.783 0 40 IHAB O=C(CN1CCC(n2nnc(-c3cccs3)n2)CC1)Nc1ccc(Cl)cc1Cl 8694516 XFCAMRPGFABROO-UHFFFAOYSA-N 437.356 3.984 0 40 IHAB O=C(OCC(=O)N1CCN(c2ccc(F)cc2)CC1)C(c1ccccc1)c1ccccc1 8710986 DCRBUJLMXVBGND-UHFFFAOYSA-N 432.495 3.850 0 40 IHAB Cc1ccc(NC(=O)Cc2cn3ccsc3n2)cc1S(=O)(=O)Nc1ccc(F)cc1 8745051 HJQCOTCUXIEXIA-UHFFFAOYSA-N 444.513 3.825 0 40 IHAB CCN(Cc1ccc(OC)c(F)c1)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 8825800 DSPCIIWVIZIKST-UHFFFAOYSA-N 444.528 3.657 0 40 IHAB O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)N(Cc1ccco1)C1=CCCCC1 8924529 PDXQDVXKINHOEZ-VWLOTQADSA-N 433.508 3.850 0 40 IHAB CC[C@@H](C)[C@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccc(F)cc1)C(=O)O 9059512 CAMGOSGJNOVRHC-YKAGIRRDSA-N 444.503 3.999 0 40 IHAB COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C=Cc4ccccc4N2[C@@H]3C(=O)C(C)(C)C)cc1 9108848 DWVUYDLNFHGLKI-CZYKHXBRSA-N 430.504 3.700 0 40 IHAB COc1cc(C=O)cc(I)c1OCC(=O)Nc1cccc(C)c1C 9232115 MZCUUNWZPPUDRD-UHFFFAOYSA-N 439.249 3.747 0 40 IHAB CCCNC(=O)COC(=O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1 9334392 FWIPEYGSGFBWOI-UHFFFAOYSA-N 431.945 3.900 0 40 IHAB CN(C[C@H]1COc2ccccc2O1)C(=O)CSc1nnc(-c2cccs2)n1C1CC1 9714049 JGZMGPBREFNDBM-HNNXBMFYSA-N 442.566 3.732 0 40 IHAB COc1ccc(-n2ccnc(SCC(=O)Nc3cc(F)ccc3F)c2=O)cc1Cl 9761414 OVEJCTORLMIUKY-UHFFFAOYSA-N 437.855 3.904 0 40 IHAB COc1ccc(Cc2nc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCOCC3)o2)cc1 10212891 ILACRUQTXQKVNY-UHFFFAOYSA-N 448.928 3.597 0 40 IHAB CN(CCCC(=O)N1CC=C(c2c[nH]c3ccccc23)CC1)S(=O)(=O)c1cccs1 11076067 KNZZPQTYWMJDDX-UHFFFAOYSA-N 443.594 3.946 0 40 IHAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN(C(=O)COc4cccnc4)C3)cc2N1 12089244 MUJLCNYNXVDVIT-HDMKZQKVSA-N 437.466 3.761 0 40 IHAB Cc1cccc(NC(=O)C[C@@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)c1C 12233165 XYAHWRQEQNDNLQ-QGZVFWFLSA-N 431.521 3.875 0 40 IHAB O=C(c1cc(Br)ccc1-n1cnnn1)N1CCC(Cc2ccccc2)CC1 12323282 GZPVEGRFISQOAL-UHFFFAOYSA-N 426.318 3.520 0 40 IHAB CC[C@H](NC(=O)Cn1c(-c2nonc2N)nc2ccccc21)C12CC3CC(CC(C3)C1)C2 12418746 PTDDQCSFYNIEIT-WGERFFLFSA-N 434.544 3.780 0 40 IHAB CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCO[C@H](c2ccccc2)C1 12762257 NLFYBTLLXYUERB-PMACEKPBSA-N 432.973 3.792 0 40 IHAB COc1ccc([C@H](CNC(=O)c2ccc(Cl)cc2Cl)N2CCOCC2)cc1OC 12805603 JFUDUKRDHBTLQT-SFHVURJKSA-N 439.339 3.814 0 40 IHAB Cc1ccc(C(=O)O[C@H](C(=O)N2CCOCC2)c2ccccc2)cc1NC(=O)c1ccco1 12897301 TXHWHXFUQILCRW-QFIPXVFZSA-N 448.475 3.597 0 40 IHAB C[C@H](Cc1cccs1)N(Cc1ccccc1)S(=O)(=O)c1cccc(S(C)(=O)=O)c1 12982909 PKRRWJBWBRCOFH-QGZVFWFLSA-N 449.619 3.974 0 40 IHAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)Oc1ccc(C(=O)c3ccccc3)cc1)C2=O 13076255 FZHBRENYVYTLFP-WGDIFIGCSA-N 448.519 3.960 0 40 IHAB Cc1ccc(-c2csc3ncn(CC(=O)N4CC(=O)Nc5ccccc54)c(=O)c23)cc1C 13114831 QXXVRVORNLWNPA-UHFFFAOYSA-N 444.516 3.727 0 40 IHAB COC(=O)c1c(NC(=O)COC(=O)c2c(C)nn(-c3ccccc3)c2C)sc(C)c1C 13148718 UCOKRKZRGWOXQM-UHFFFAOYSA-N 441.509 3.750 0 40 IHAB Cc1cc2c(cc1C(=O)c1ccco1)N(CC(=O)NCCc1ccccc1)C(=O)C(C)(C)O2 13226763 OHFAUPHJYKCFFJ-UHFFFAOYSA-N 446.503 3.682 0 40 IHAB Cc1ccc2cc(CN(CCO)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1 13498568 ZRYCJIWSIKSPME-QFIPXVFZSA-N 438.576 3.520 0 40 IHAB O=c1oc2cc(Cl)ccc2n1CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1 14229704 NOQMUSQSFHRLTJ-UHFFFAOYSA-N 426.826 3.832 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)N2CCCCCC2)c2cccc(Cl)c2)cc1 16217243 NGCXBDBFCDDYPI-UHFFFAOYSA-N 436.961 3.947 0 40 IHAB CCOC(=O)/C=C/c1ccc(NC(=O)[C@H](CCSC)NC(=O)c2ccccc2)cc1 16303900 FZYGBQZDTDBMKT-IXDOJHRFSA-N 426.538 3.753 0 40 IHAB Cc1cccc(NC(=O)CN(C)CCS(=O)(=O)c2cc(Cl)ccc2Cl)c1C 16636828 AHHXQDJETKIWOL-UHFFFAOYSA-N 429.369 3.954 0 40 IHAB Cc1[nH]n(-c2ccccc2)c(=O)c1C(c1cccnc1)c1c(C)[nH]n(-c2ccccc2)c1=O 17921358 LCXPEWJCEJEHLW-UHFFFAOYSA-N 437.503 3.837 0 40 IHAB CCN(CC(=O)NCc1cccs1)C(=O)CSc1nc(Cc2ccccc2)c(C)[nH]1 19316451 AMQGYNLXPIOZJA-UHFFFAOYSA-N 442.610 3.627 0 40 IHAB CCC(=O)N1CCCc2cc([C@H](O)CN3CCC(O)(c4ccc(F)cc4)CC3)ccc21 19498874 QEFGDCQQAUQIJU-HSZRJFAPSA-N 426.532 3.532 0 40 IHAB CCCN1CCN(C(=O)c2c[nH]nc2C)C[C@H](Cc2ccccc2-c2ccccc2)C1=O 19503197 RNROTKRRTBOOBR-QFIPXVFZSA-N 430.552 3.938 0 40 IHAB CCc1[nH]c(=O)c(C(=O)NCCn2nc(-c3ccc(F)cc3)cc2-c2cccnc2)cc1C 19521474 AEHWSOYKKPOOST-UHFFFAOYSA-N 445.498 3.740 0 40 IHAB COc1cccc(OC)c1C(=O)N1CCNC(=O)[C@H](Cc2cccc(-c3ccccc3)c2)C1 19566939 UFNQSFBDNVCEHV-JOCHJYFZSA-N 444.531 3.802 0 40 IHAB CN(C)C(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCCN1C(=O)CCc1ccccc1 19696533 QACDBLKAKXWPGW-AREMUKBSSA-N 431.536 3.966 0 40 IHAB CNC(=O)c1sc2ccccc2c1[C@H]1CN(Cc2cccc(OCCOC)c2)CCO1 19697615 LDSRUAXBHGOLSC-HXUWFJFHSA-N 440.565 3.860 0 40 IHAB Cc1nc([C@H]2CCN(C(=O)Cc3c(C)[nH]c4ccc(F)cc34)C2)ncc1C(=O)N1CCCC1 19757756 JZBHKVLRCSUVRJ-KRWDZBQOSA-N 449.530 3.508 0 40 IHAB Cc1ccc(CCCNC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)cc1 20492308 YKEIYPUTGFKFJL-UHFFFAOYSA-N 449.016 3.939 0 40 IHAB O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccccc1SC[C@H]1CCCO1 21603078 IXCCMYMCWFEFSJ-GOSISDBHSA-N 432.567 3.750 0 40 IHAB COc1ccc(C)cc1N(CC(=O)NCc1ccccc1)S(=O)(=O)c1ccc(C)cc1 22277319 HNNIYVLHBGPIIJ-UHFFFAOYSA-N 438.549 3.824 0 40 IHAB CCCCNS(=O)(=O)c1cccc(NC(=O)c2ccc(NC(=O)c3ccco3)s2)c1 23698531 ORLPVWIZGRRYCK-UHFFFAOYSA-N 447.538 3.924 0 40 IHAB O=C(c1ccc(OCc2cscn2)cc1)N1CCC(C(=O)N2CCCCCC2)CC1 23804864 LZVYKUBESLKUJW-UHFFFAOYSA-N 427.570 3.977 0 40 IHAB CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)c1sc(-c2ccccc2)nc1C 23893076 MLJJICOZCZFMEQ-UHFFFAOYSA-N 436.537 3.708 0 40 IHAB Cc1sc2nc(CN3CCOCC3)nc(NC[C@@H](c3ccco3)N3CCCC3)c2c1C 23990921 YZMNSQHJQOGTOD-SFHVURJKSA-N 441.601 3.982 0 40 IHAB O=C(Nc1cc2c(cc1Br)OCCO2)c1cccc(NC(=O)[C@@H]2CCCO2)c1 24817741 YLXCVLKCBHXLKZ-INIZCTEOSA-N 447.285 3.590 0 40 IHAB Cc1cc2nc(C)c(CCC(=O)N(Cc3ccc(C(=O)NC4CC4)cc3)C3CC3)c(C)n2n1 26109124 FUZXRWIQVXEJSX-UHFFFAOYSA-N 445.567 3.671 0 40 IHAB Cc1cccc(C(=O)N2N=C(c3ccc(Br)cc3)C[C@@]2(O)C(F)(F)F)c1O 32101289 MLXONDQOPKMJKA-QGZVFWFLSA-N 443.219 3.964 0 40 IHAB CCOC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(C(C)=O)s2)CC1 32850856 PHBFSKONHRJUOW-LJQANCHMSA-N 434.945 3.666 0 40 IHAB Cc1cc(F)ccc1NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccc(C(C)(C)C)cc1 32904920 ZXUNUSCVOMQHKW-HXUWFJFHSA-N 448.560 3.603 0 40 IHAB Cn1nc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c2c1NC(=O)C[C@@H]2c1ccco1 35597881 LRCOPOORNBDOCM-CQSZACIVSA-N 428.876 3.937 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2cccc(C(C)=O)c2)cc1Cl 39986542 NWLMAPJZLBROJU-UHFFFAOYSA-N 438.933 3.591 0 40 IHAB O=C(CNC(=O)Cc1cccc(F)c1)NC[C@H]1CC2c3ccccc3C1c1ccccc12 40145324 ZVCOHNLNGFMZCF-ZCCKZZATSA-N 428.507 3.898 0 40 IHAB CCCSc1ncc(Br)c(C(=O)NCC(=O)Nc2ccc(Cl)cc2)n1 46086985 HJWZSCNYPHREJH-UHFFFAOYSA-N 443.754 3.763 0 40 IHAB C[C@@H]1CN(C(=O)CCNC(=O)Nc2ccc(N(C)C3CCCCC3)c(F)c2)C[C@@H](C)O1 48333847 HRSSLTNLZGNDLV-IAGOWNOFSA-N 434.556 3.742 0 40 IHAB CCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3ccc(OC)c(OC)c3)c2c1=O 48989478 JBYSODURWNSWBO-UHFFFAOYSA-N 432.480 3.541 0 40 IHAB O=C(Cn1c(=O)oc2ccccc21)N1CCC(Oc2nc3c(Cl)cccc3s2)CC1 49432828 OGXLUQJIJDNCDC-UHFFFAOYSA-N 443.912 3.928 0 40 IHAB Cc1cc(F)ccc1-n1c(=O)c2sccc2n(CC(=O)Nc2cc(F)ccc2F)c1=O 57493508 NNJLHMFBIBWALI-UHFFFAOYSA-N 445.422 3.578 0 40 IHAB O=C(O)Cc1ccc(NC(=O)c2c(O)c3sccc3n(Cc3ccccc3)c2=O)cc1 65215655 UHVJBWZEPBBRQH-UHFFFAOYSA-N 434.473 3.696 0 40 IHAB CC(C)(C)c1ccc(C(=O)Nc2ccc(-n3nnc(C(=O)NC4CCCC4)n3)cc2)cc1 71002896 OOGMEOZDJWNPIV-UHFFFAOYSA-N 432.528 3.885 0 40 IHAB CCOC(=O)[C@@]1(Cc2cc(-c3ccc(OC)cc3)no2)CCCN(C(=O)c2ccccn2)C1 72394135 GMELWBFQXSOYAJ-RUZDIDTESA-N 449.507 3.773 0 40 IHAB C[C@@H](NC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)C(=O)Nc1cccc(O)c1 80331058 GNUIAKMWJBTTPN-CYBMUJFWSA-N 437.327 3.558 0 40 IHAB COC(=O)C[C@@H](c1cccnc1)c1oc(CSc2ccccc2OC)cc(=O)c1O 85875275 TUIXUCMTNRXEGM-INIZCTEOSA-N 427.478 3.736 0 40 IHAB biogenic Cc1nc(CN2CCN(C)C(=O)C23CCN(Cc2ccc(C(C)C)cc2)CC3)cs1 96230309 QXKHERGZBXIHTQ-UHFFFAOYSA-N 426.630 3.884 0 40 IHAB O=C(COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 108194010 SUTMJBHASYSXCU-KRWDZBQOSA-N 442.320 3.573 0 40 IHAB CSc1cccc(N(CC(=O)NCCSCc2cccc(C)c2)S(C)(=O)=O)c1 220064709 GJPVHDMGSACVBF-UHFFFAOYSA-N 438.640 3.533 0 40 IHAB COC(=O)c1ccc(NC(=O)[C@@H](C)N(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1 220247171 FNIJYXVSMIBEKQ-LLVKDONJSA-N 445.324 3.573 0 40 IHAB Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)Nc1ccc2sncc2c1 222782551 ZGJJCZQQMHGZAP-UHFFFAOYSA-N 445.566 3.797 0 40 IHAB CCCC(=O)N(Cc1ccc(OC)cc1)[C@@H](Cc1ccccc1)C(=O)NCCCOCC 223269590 LAIBYUQLCYQNBX-DEOSSOPVSA-N 440.584 3.978 0 40 IHAB CN(Cc1ncc(C(=O)NCCC2=CCCCC2)cn1)S(=O)(=O)c1ccc(Cl)cc1 223387464 PODBCLNDMVWZGD-UHFFFAOYSA-N 448.976 3.571 0 40 IHAB CCOc1cccc(NS(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3)s2)c1 223977866 JDJCQNHXCHEMTL-UHFFFAOYSA-N 438.918 3.643 0 40 IHAB CC(C)(C)c1ccc(S(=O)(=O)NCC(=O)NCc2cncc(-c3cccs3)c2)cc1 225664927 YOTHUJPFJNRFMU-UHFFFAOYSA-N 443.594 3.702 0 40 IHAB COC(=O)[C@]1(c2ccccc2)N[C@H](c2ccccc2C)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 245230492 SVOQZGUANHTOFH-OJXRJRMYSA-N 440.499 3.514 0 40 IHAB O=C(Cn1ncc2ccccc2c1=O)N1CCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1 257221260 DOEJAFAZVSCKDC-NRFANRHFSA-N 448.910 3.992 0 40 IHAB CCn1c(-c2nc3cc(C(=O)N4CCC[C@@H](N)C4)cc(OC)c3n2C)cc2ccccc21 299817178 JQGQSIFPSQABNF-GOSISDBHSA-N 431.540 3.787 0 40 IHAB in-vitro COc1cccc(-c2ccc3nc([C@H]4CCCN(C(=O)c5cnc(C)cn5)C4)nn3c2)c1 306143121 XTRGMSFGEIQDMP-IBGZPJMESA-N 428.496 3.523 0 40 IHAB Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)c2)cc1C 408666881 TTXBTMOLERTZOK-BSWISCRUSA-N 446.503 3.634 0 40 IHAB COc1ccc(NC(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1 409056642 HPEHZTJFHYOZQT-UHFFFAOYSA-N 442.512 3.972 0 40 IHAB O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)Nc1c(F)cccc1F 409082693 TWOLXXAVRRALLU-UHFFFAOYSA-N 434.439 3.934 0 40 IHAB COc1ccc2ccc(OC)c(/C=C3/NC(=O)N(CC(=O)Nc4cccc(C)c4)C3=O)c2c1 409102509 ARYUXLKDSWWVDL-FYJGNVAPSA-N 445.475 3.697 0 40 IHAB NS(=O)(=O)c1cc(C(=O)N(CC2(c3ccc(Cl)c(Cl)c3)CCC2)C2CC2)co1 536388337 LPKGOCHDAWAPPZ-UHFFFAOYSA-N 443.352 3.960 0 40 IHAB O=C(NCC(=O)N(Cc1ccccc1C(F)(F)F)C1CC1)N1CCc2ccccc2C1 600944277 NOJNSAMBHZRWQP-UHFFFAOYSA-N 431.458 3.964 0 40 IHAB CC(C)CC(=O)N1CCCN(C(=O)c2ccc3c(c2)ncn3C)CCNCc2ccccc21 643557535 PGWRRTBQMLPUTR-UHFFFAOYSA-N 447.583 3.588 0 40 IHAB Cc1cc(=O)c(O)c(C2(CC(=O)N[C@@H]3CCCc4c3[nH]c3ccccc43)CCOCC2)o1 1547139624 WBIUEGRHJOOVMJ-LJQANCHMSA-N 436.508 3.767 0 40 IHAB biogenic CC(=O)N1CCCC[C@@]2(CCCN2Cc2cscn2)C(=O)Nc2ccccc2OCC1 2037981123 WBFACLCXOSDQPM-HSZRJFAPSA-N 442.585 3.528 0 40 IHAB COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2cccc(Br)c2)cc1 645509 QWBXHDBRDJCQAS-SFHVURJKSA-N 440.301 3.977 0 40 IHAB CCNC(=S)N(Cc1ccc(OC)cc1)Cc1cc2cc(OCC)ccc2[nH]c1=O 1224665 XRQRBPZRNDTOQG-UHFFFAOYSA-N 425.554 3.832 0 40 IHAB COc1ccc(N(CC(=O)Nc2ccccc2)S(=O)(=O)c2ccccc2)c(OC)c1 1434905 NRSNGSWXXYTFQA-UHFFFAOYSA-N 426.494 3.538 0 40 IHAB CCCCn1c(S[C@@H](C)C(=O)Nc2ccccc2)nc2cc(S(N)(=O)=O)ccc21 2631459 ZPKLLEVDSYPMCC-AWEZNQCLSA-N 432.571 3.603 0 40 IHAB CCOc1ccc(-n2c(SCC(=O)NCC(F)(F)F)nc3ccccc3c2=O)cc1 2643544 QNJUXGJMOFBWKR-UHFFFAOYSA-N 437.443 3.555 0 40 IHAB CCCn1c(=S)[nH]c2cc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)ccc2c1=O 3043926 XILWGNUWTPJYDS-UHFFFAOYSA-N 429.498 3.747 0 40 IHAB CN(C)S(=O)(=O)Oc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1Cl 3052360 HKBKMYYERLIEJR-UHFFFAOYSA-N 438.811 3.676 0 40 IHAB Cc1cccc(NC(=O)CN2C(=O)[C@@]3(SCC(=O)N3c3ccccc3)c3ccccc32)c1 8595038 OQQJFIDJHIBHMK-VWLOTQADSA-N 443.528 3.913 0 40 IHAB CCCCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(OC)c(OC)c1)C(C(=O)OC)=C(C)N2 8768857 UJCJUCNMJHWHKN-KRWDZBQOSA-N 445.541 3.684 0 40 IHAB O=C(/N=c1\sn(-c2ccc(Cl)cc2)nc1C(=O)N1CCCC1)c1ccc(F)cc1 8770661 CRLSJWYKJQMSRG-NMWGTECJSA-N 430.892 3.703 0 40 IHAB CN(C)S(=O)(=O)c1ccc(NC(=O)Cc2csc(-c3cccc(Cl)c3)n2)cc1 8936598 WEDJOPMDYTVNGI-UHFFFAOYSA-N 435.958 3.895 0 40 IHAB CCc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 9231913 RPKOJHQQKKZKFT-HNNXBMFYSA-N 445.313 3.546 0 40 IHAB O=C1NC2(CCCC2)C(=O)N1CCCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 9366479 MBMHPHJYTJUVRR-MRXNPFEDSA-N 426.542 3.605 0 40 IHAB COc1cccc(OC)c1C(=O)Nc1c2c(nn1-c1cccc(C)c1C)C[S@](=O)C2 9413815 LJCNFMGDJHCHSK-PMERELPUSA-N 425.510 3.521 0 40 IHAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1nc(-c2ccc(C)cc2)cs1 9451078 VFNLJTHEUIUEOZ-HXUWFJFHSA-N 441.578 3.834 0 40 IHAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)CSc2nc3ccccc3n2CC)c1 9546055 CMPQKYQQGLQYQA-UHFFFAOYSA-N 446.598 3.818 0 40 IHAB O=C(CN1CCc2sccc2[C@@H]1c1ccccc1)NC(=O)Nc1ccc2c(c1)OCCO2 9664056 APPUCBJBFSPLSA-QHCPKHFHSA-N 449.532 3.815 0 40 IHAB Cc1cc(S(=O)(=O)NC[C@H](c2cccs2)S(=O)(=O)c2cccs2)ccc1F 9742687 BQLCQALRSQWSKU-MRXNPFEDSA-N 445.584 3.751 0 40 IHAB C[C@H](CCc1ccco1)NC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 9790495 YETUHOQUDZBKFO-GOSISDBHSA-N 440.565 3.971 0 40 IHAB C[C@H](Sc1nnc(NCc2ccco2)s1)C(=O)Nc1sc2c(c1C(N)=O)CCC2 10032514 XIRFGQZGGOGPKA-VIFPVBQESA-N 449.583 3.512 0 40 IHAB CC(C)(C)NC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Br)cc1 10119446 HIFFRJSCLKWIPX-UHFFFAOYSA-N 437.359 3.729 0 40 IHAB COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)COc1ccc(Cl)c(C)c1 10119975 CRJRELDNRAERGD-UHFFFAOYSA-N 429.889 3.841 0 40 IHAB CCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(-c3ccc(OC)nn3)ccc2C)cc1 11694200 DBHKZMQSFSXVDQ-UHFFFAOYSA-N 426.498 3.610 0 40 IHAB O=C(N[C@@]1(C(F)(F)F)N=C(c2ccccc2)N(Cc2ccccc2)C1=O)c1cccnc1 12376390 CQZIYCPASZXYMU-QFIPXVFZSA-N 438.409 3.559 0 40 IHAB CC[C@H](C)NC(=O)c1cccc(S(=O)(=O)Nc2ccc(OC)c(Br)c2)c1 12605187 OMOSWKUWFOFDBJ-LBPRGKRZSA-N 441.347 3.787 0 40 IHAB O=C(Nc1ccccc1)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 12912992 GAIGTSHMTJBYHF-UHFFFAOYSA-N 428.432 3.625 0 40 IHAB CS(=O)(=O)N(CC(=O)NCCCc1ccccc1)c1cc(C(F)(F)F)ccc1Cl 13670259 SODFRPJKSJCXJT-UHFFFAOYSA-N 448.894 3.874 0 40 IHAB Cc1ccc(Cn2cnc3sc4c(c3c2=O)CC[C@H](NCc2cnc(C)cn2)C4)cc1 14999369 VXAFNRKBQFMKGN-SFHVURJKSA-N 431.565 3.560 0 40 IHAB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCCCOC2CCCCC2)c1 15177250 YIUOAIRZUKRLGF-UHFFFAOYSA-N 430.570 3.981 0 40 IHAB COc1cc2c(cc1OC)CN(C(=O)c1ccc3c(c1)C(=O)N(CCC(C)C)C3=O)CC2 15977276 ZPXDLJQVTXDOHQ-UHFFFAOYSA-N 436.508 3.544 0 40 IHAB CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(NC(=S)NC(C)=O)cc2)c1 16639332 FUKZTYWWWWWCQN-UHFFFAOYSA-N 444.582 3.825 0 40 IHAB CCOc1ccc(NC(=O)CSc2nnc(Cc3ccc(Cl)cc3)c(O)n2)cc1 16806793 OVOVKQSLEGGQCM-UHFFFAOYSA-N 430.917 3.951 0 40 IHAB Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)Oc2cccc(F)c2)cc(=O)[nH]1 19240952 IWWPGLIWRRKWKN-LHSJRXKWSA-N 434.471 3.566 0 40 IHAB CCCN1CCN(C(=O)c2ccn(C)n2)C[C@@H](Cc2ccccc2-c2ccc(C)cc2)C1=O 19503147 KKKDDRSANZRLHC-HSZRJFAPSA-N 444.579 3.949 0 40 IHAB COc1cccc(-c2cc(-c3cccnc3)nn2CCNC(=O)c2n[nH]c3c2CCCC3)c1 19566617 LAMQFFSTGVJMRI-UHFFFAOYSA-N 442.523 3.653 0 40 IHAB COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCCN2C(=O)COc2ccccc2)c1 19689593 YQPMYWANCSGXLK-JOCHJYFZSA-N 432.524 3.961 0 40 IHAB Cc1nc(C2CCN(C(=O)[C@H]3CCCO3)CC2)nc2c1CCC(=O)N2CC1CCCCC1 19739513 UWWREPWNBIMIMJ-OAQYLSRUSA-N 440.588 3.530 0 40 IHAB Cc1ccc(CN2C(=O)CCc3c(C)nc([C@H]4CCCN4C(=O)COC(C)C)nc32)cc1 19741983 NSXXEKRDRGGRRF-OAQYLSRUSA-N 436.556 3.661 0 40 IHAB COc1cccc(C(=O)N2CCO[C@H](c3cc(C(=O)NCC(C)C)c4ccccc4n3)C2)c1 19762018 ZJKLUOIQGHCYKH-DEOSSOPVSA-N 447.535 3.843 0 40 IHAB O=C(C[C@@H]1C(=O)N(Cc2cccnc2)c2nc3ccccc3n21)Nc1ccc(F)c(F)c1 19962124 UOZRNGOPVMSWNC-HXUWFJFHSA-N 433.418 3.826 0 40 IHAB COc1c(Cl)cc(C(=O)O)cc1NC(=O)c1cccc(I)c1 20137917 QMGURWNIYKUWGR-UHFFFAOYSA-N 431.613 3.904 0 40 IHAB Cn1nc(-c2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)cc2)c2ccccc2c1=O 20441353 HIJNKVCALQPZDU-UHFFFAOYSA-N 438.531 3.559 0 40 IHAB COc1ccc(N(CCCC(=O)N(C)Cc2ccc(C)cc2)S(C)(=O)=O)cc1Cl 20455338 BOSXHAHHQBTACW-UHFFFAOYSA-N 438.977 3.862 0 40 IHAB COc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)cc1 21236546 IAARDAWMKFTSSJ-UHFFFAOYSA-N 448.475 3.708 0 40 IHAB Cc1cc(N2C[C@@H](c3nc4ccccc4n3CCN3CCOCC3)CC2=O)ccc1Cl 23114877 UNLYHJWQLGLMRE-SFHVURJKSA-N 438.959 3.851 0 40 IHAB O=C1c2ccc(C(=O)N3CCC[C@@H]3c3cccnc3)cc2C(=O)N1CCc1ccccc1 29297576 RKXRPGRCOPMLQW-HSZRJFAPSA-N 425.488 3.898 0 40 IHAB O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)Cc2coc(-c3ccccc3)n2)CC1 31006831 NMQWQMMCMVLAGA-UHFFFAOYSA-N 432.476 3.777 0 40 IHAB COc1ccc([C@@H](NC(=O)CCc2nnc(-c3ccc(C)cc3)o2)c2nccn2C)cc1 32843628 IUKNLLQAMUBWCA-JOCHJYFZSA-N 431.496 3.626 0 40 IHAB CCOc1cc2c(cc1COC(=O)c1cccc(S(=O)(=O)N3CCCC3)c1)O[C@@H](C)C2 32848679 OTOARZGUMIHUAT-INIZCTEOSA-N 445.537 3.550 0 40 IHAB CN(C(=O)c1ccccc1C(=O)OCc1cc(=O)n2ccsc2n1)C1CCCCC1 32957367 OLCUGWBDFIQJEE-UHFFFAOYSA-N 425.510 3.518 0 40 IHAB CC[C@@H]1CCCCN1C(=O)CSc1nc2c3cc(OC)ccc3n(C)c2c(=O)n1CC 33287532 DKNJDYQAQVGOAU-OAHLLOKOSA-N 442.585 3.800 0 40 IHAB CCOC(=O)Cc1csc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2ccccc2)n1 36360682 KAPSCCONFHDGEW-NHCUHLMSSA-N 449.532 3.798 0 40 IHAB Cn1cc(-c2nc(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCOCC3)cs2)cn1 40142838 RXDSINVXWYBQIJ-UHFFFAOYSA-N 437.447 3.651 0 40 IHAB CCc1noc(-c2ccc(SCC(=O)N3CCN(c4ccc(C)cc4C)CC3)nc2)n1 49405599 IAZPPOLZSMNUQD-UHFFFAOYSA-N 437.569 3.752 0 40 IHAB COc1cccc(Cn2c(SCC(=O)Nc3cc(C)on3)nc3ccsc3c2=O)c1 57426146 HKBARSLYYIXWJR-UHFFFAOYSA-N 442.522 3.542 0 40 IHAB CCOc1ccc(CCNC(=O)c2cc(-c3ccc(OC)cc3OC)[nH]n2)cc1OCC 57477358 RUOCFMGFUYIJID-UHFFFAOYSA-N 439.512 3.864 0 40 IHAB CCc1ccccc1NC(=O)Cn1c(=O)n(-c2ccc(F)cc2C)c(=O)c2sccc21 57493355 XUTIAQGISFOMFX-UHFFFAOYSA-N 437.496 3.863 0 40 IHAB Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCCNC(=O)OC(C)(C)C 65734920 XEJYAHWQXJMSPM-WJDWOHSUSA-N 442.491 3.518 0 40 IHAB in-vitro Cc1ccc(C)c(S(=O)(=O)N2CCCN(Cc3cn4cc(Cl)ccc4n3)CC2)c1 72280419 RSMBWXRPMKTZRP-UHFFFAOYSA-N 432.977 3.501 0 40 IHAB CCN1CC[C@@]2(CCC1=O)C[C@@H](NC(=O)c1ccc3c(c1)nc(C)n3C)c1ccccc1O2 72327853 AWGDJTGKRPJDBV-RLWLMLJZSA-N 446.551 3.907 0 40 IHAB CCSc1ncc(CN2CCN(c3c(F)cccc3[C@H](O)c3ccccn3)CC2)cn1 72340723 ACCPFCHNFWPHNH-QFIPXVFZSA-N 439.560 3.527 0 40 IHAB CCc1noc(CCC(=O)N2CCCCC[C@@H]2Cc2c(C(N)=O)sc3ccccc23)n1 72370707 CPHXASGIDMVDIR-OAHLLOKOSA-N 440.569 3.892 0 40 IHAB CCOC(=O)[C@]1(Cc2cc(-c3ccc(F)cc3)no2)CCCN(Cc2cnc(C)n2C)C1 72394038 PDGBSDYTOWEOHU-DEOSSOPVSA-N 440.519 3.911 0 40 IHAB COc1ccc2c(c1)CN(Cc1cccc(OC)c1OC)C[C@]1(CCCN(C)CC1)O2 72394513 DYZIEZIIQXSUGX-RUZDIDTESA-N 426.557 3.962 0 40 IHAB Cc1ccc(O[C@@H](C)C(=O)N2CCC([C@@H]3C[C@H](C(F)F)n4ncnc4N3)CC2)cc1C 72395680 CIQUNFRFBXJJAA-ZYSHUDEJSA-N 433.503 3.591 0 40 IHAB O=S1(=O)CC[C@@H](n2cc(CNc3nc4ccccc4n3CCCc3ccccc3)cn2)C1 97162775 GUHJXBPTRPEGSV-OAQYLSRUSA-N 449.580 3.837 0 40 IHAB CCOC(=O)[C@H]1[C@H]2NC(=S)N(CCCOC)[C@@]1(C)Oc1c(Cl)cc(Cl)cc12 100030083 CTVUBMOBBLAKKL-GLJUWKHASA-N 433.357 3.549 0 40 IHAB CCc1ccc(N(CCCC(=O)NCc2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1 113962811 ALLNBBOUIAKZSY-UHFFFAOYSA-N 432.586 3.899 0 40 IHAB C[C@H]1CN(C(=S)S[C@@H]2CC(=O)N(c3ccc(Cl)cc3Cl)C2=O)C[C@@H](C)O1 215685119 SJYOMKDOCATNDX-ISTVAULSSA-N 433.382 3.753 0 40 IHAB COc1ccc(N([C@@H](C)C(=O)N[C@@H](CC(C)C)c2ccccc2)S(C)(=O)=O)cc1OC 220241974 BUALIQFRDLSDET-PXNSSMCTSA-N 448.585 3.762 0 40 IHAB CCc1ccc(OCC(=O)N(Cc2cccc(OC)c2)[C@@H](C)C(=O)NC(C)(C)C)cc1 223049826 QBCICRPQUXTGRD-SFHVURJKSA-N 426.557 3.968 0 40 IHAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1)c1ccc2c(c1)CCCC2 223134725 NLJVJUXHVMIMFE-UZUQRXQVSA-N 444.597 3.996 0 40 IHAB CCSc1nnc(NS(=O)(=O)c2ccc(SC)c(NC(=O)C(C)C)c2)s1 223258114 JACGDKDAQPTMHP-UHFFFAOYSA-N 432.618 3.767 0 40 IHAB CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc(C(=O)O)c2)o1 223284751 FSAVXTXNYWPRMQ-LEWJYISDSA-N 436.537 3.574 0 40 IHAB Cc1ccc(N([C@@H](C)C(=O)NCCOc2cccc3ccccc23)S(C)(=O)=O)cc1C 223526856 PLGFXSPGNMWCGY-IBGZPJMESA-N 440.565 3.806 0 40 IHAB CS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc(OCCc3ccccc3)c2)cc1 223672874 CWXZKPCSCYZSFW-UHFFFAOYSA-N 431.535 3.512 0 40 IHAB CC(C)CSc1nnc(NC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)s1 223867968 HSRMYZDRXXRTFW-UHFFFAOYSA-N 446.595 3.610 0 40 IHAB COc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(C(=O)Nc3cccnc3)c2)cc1 224350264 BVHDFAKHZVCHNX-UHFFFAOYSA-N 431.901 3.821 0 40 IHAB Cc1cccc(OCCNC(=O)C2=C(c3ccccc3)c3ccccc3N(C)S2(=O)=O)c1 224567511 GVQOODHCEASXJP-UHFFFAOYSA-N 448.544 3.729 0 40 IHAB CC[C@@H](C(=O)NCCSC1CCCC1)N(c1cc(Cl)ccc1C)S(C)(=O)=O 224707798 FVFGDQPFAIBKQX-KRWDZBQOSA-N 433.039 3.985 0 40 IHAB CCOc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)cc1C 225294488 JBRGJCRPNHQJHP-UHFFFAOYSA-N 432.542 3.829 0 40 IHAB COc1ccccc1OC[C@H](C)NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1C 225434089 FDTHRQSRCOKANI-IGCAKMCNSA-N 434.492 3.951 0 40 IHAB O=C(O)c1ccccc1C(=O)N1C[C@@H]2C[C@H]1C(=O)N(Cc1ccccc1)c1ccccc1O2 225478504 HBIFHRWQVOVBKU-AVRDEDQJSA-N 442.471 3.594 0 40 IHAB biogenic,in-vitro CCOc1ccc(CCCNC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 225480617 FQUGHQVSVTZUOM-UHFFFAOYSA-N 444.597 3.543 0 40 IHAB COc1cccc(CN(C)CC(=O)N2CCC[C@H]2c2cncc(Nc3ncccc3C)n2)c1 257222144 DSCRCUGFVJUIRD-QFIPXVFZSA-N 446.555 3.728 0 40 IHAB CS(=O)(=O)N1CCCC[C@@H]1c1nnc(C2CCN(Cc3cccc(Cl)c3)CC2)o1 257225607 FGZKKFMPFFXFIT-GOSISDBHSA-N 438.981 3.589 0 40 IHAB C[C@]12C[C@@H](Cc3ccccc3)N(C(=O)c3ccccc3Cn3ccnc3)[C@H]1CCCC(=O)N2 257286094 PKEWYCPCDWSJMC-SHQBLQIYSA-N 442.563 3.816 0 40 IHAB CCOc1cccc2c1OC(C)(C)[C@H]1CC3(CCN(C(=O)c4c[nH]cn4)CC3)CO[C@H]21 257313617 UTJGTGUXGXFUML-FXAWDEMLSA-N 425.529 3.980 0 40 IHAB Cc1cccc(Nc2cccc([C@H]3CN(S(=O)(=O)c4ccc(F)c(C)c4)CCO3)n2)n1 257314637 UXUXDXLDFHYBGG-HXUWFJFHSA-N 442.516 3.738 0 40 IHAB CCOC(=O)Cn1cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)c2ccccc21 409394228 XKNDOTLLFDPGTA-NHDPSOOVSA-N 431.517 3.592 0 40 IHAB Cc1nc(C)c(CN2CC[C@H]3[C@H](CC(=O)NCc4cc(F)cc(F)c4)OC[C@H]3C2)s1 585109124 AJWWRMOKXLPJSM-AHRSYUTCSA-N 435.540 3.582 0 40 IHAB CCCc1cnc(Nc2cccc([C@@]3(CO)CN(C(=O)OC(C)(C)C)CCO3)n2)s1 585262636 LSWBNJUPPHHTCY-NRFANRHFSA-N 434.562 3.689 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCO[C@H](c3cccc(Nc4nccs4)n3)C2)cc1C 2037834638 XUDYPTAXBUVLOW-SFHVURJKSA-N 430.555 3.661 0 40 IHAB Cc1cnc(Nc2cccc([C@H]3CN(CC(=O)N4[C@@H](C)CCC[C@H]4C)CCO3)n2)s1 2037834752 KMHUNCYDEWSHMJ-JTDSTZFVSA-N 429.590 3.753 0 40 IHAB COC(=O)CSc1nnc(CSc2nc(C)cc(C)n2)n1-c1cccc(Cl)c1 907142 RQJIDTIWWVEYQF-UHFFFAOYSA-N 435.962 3.885 0 40 IHAB O=S(=O)(N[C@H]1CCCC[C@@H]1Sc1nnnn1-c1ccccc1)c1ccc(Cl)cc1 2708603 FAKGIBNWUMBTPK-ROUUACIJSA-N 449.989 3.698 0 40 IHAB C[C@H](C(=O)Oc1ccc2oc(-c3ccco3)cc(=O)c2c1)N1C(=O)c2ccccc2C1=O 2888844 HMBGULADXQNGKU-CYBMUJFWSA-N 429.384 3.643 0 40 IHAB CCN(CC)C(=O)[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(C)C 5952352 QOVOBSRWDNREQT-NRFANRHFSA-N 425.529 3.570 0 40 IHAB CCc1ccc(NC(=O)CNC(=O)[C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)cc1 8995944 IXYOQLRHJNDNDX-NRFANRHFSA-N 437.540 3.666 0 40 IHAB CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)NC(=O)C(C)(C)CO3)c(C)c1 9173671 QMMCKFHRAMPNSI-UHFFFAOYSA-N 431.514 3.501 0 40 IHAB CCCN(CC(=O)Nc1ccccc1C)C(=O)COC(=O)c1c(-c2ccccc2)noc1C 9457809 KLTZJCJQSRFAGT-UHFFFAOYSA-N 449.507 3.993 0 40 IHAB COc1ccc(NC(=O)CSc2nccn(-c3cccc(Cl)c3)c2=O)c(OC)c1 9639709 HBBINVPHNKZLLP-UHFFFAOYSA-N 431.901 3.634 0 40 IHAB C[C@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1 9641199 XEGSTXRFXRPDJJ-INIZCTEOSA-N 449.532 3.863 0 40 IHAB C[C@H](NC(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21)c1ccc(-c2ccccc2)cc1 9765556 DQLIKKANESXBIC-DLBZAZTESA-N 433.533 3.658 0 40 IHAB O=S(=O)(c1ccc(SCCOc2ccc(Br)cc2)nc1)N1CCCC1 9986343 VQLPIEADKGAQKK-UHFFFAOYSA-N 443.388 3.800 0 40 IHAB COc1ccc(/C=C/C(=O)NCc2nnc(SCc3ccc(F)cc3)n2C)cc1OC 10127305 UUGXWIVVCWUGBL-YRNVUSSQSA-N 442.516 3.593 0 40 IHAB O=C(CCS(=O)(=O)Cc1ccccc1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 10621619 SFLUTWDCOZFDLN-GOSISDBHSA-N 444.578 3.813 0 40 IHAB Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)OCC(=O)N[C@@H]4CCCC[C@@H]4C)cc3C2=O)c1 11184893 OIGSXDCTTRQHGT-HRAATJIYSA-N 448.519 3.956 0 40 IHAB COc1ccccc1CN(C)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 11239891 RSDKERFULYCPFX-UHFFFAOYSA-N 428.485 3.907 0 40 IHAB O=S(=O)(c1cccc(Cl)c1Cl)N1CCN(c2ccc(-c3ccco3)nn2)CC1 11694001 LHYZOLPYERRCRK-UHFFFAOYSA-N 439.324 3.554 0 40 IHAB Cc1nc2cc(C3CCN(C(=O)[C@@H](C)Cn4nc(C)c(Cl)c4C)CC3)nn2c(O)c1C 12134095 JFFQYXDHUFXWJE-LBPRGKRZSA-N 444.967 3.561 0 40 IHAB COc1cc(C(=O)N[C@@H]2CC(C)(C)Cc3nc(N4CCCC4)ncc32)cc(OC)c1OC 12221051 UADQISVTSWUOOR-QGZVFWFLSA-N 440.544 3.546 0 40 IHAB Cc1ccc(-c2c(-c3cc(C)no3)cnn2CCNC(=O)Cc2ccc(N(C)C)cc2)cn1 12223176 QFVVURVKDNBSIN-UHFFFAOYSA-N 444.539 3.642 0 40 IHAB Cc1ccc(NC(=O)C[C@@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)cc1F 12233184 SHPVRGRHRFEBGU-MRXNPFEDSA-N 435.484 3.705 0 40 IHAB C[C@@H](O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)Cc3cccs3)cc2)cc1 12548682 QIPKUNNSQKRPEX-OAHLLOKOSA-N 430.551 3.874 0 40 IHAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nncn2-c2ccc(OC)cc2)c1C 12557804 CASGMESKMHQBLL-CQSZACIVSA-N 428.514 3.761 0 40 IHAB CNS(=O)(=O)c1cc(C(=O)NCc2ccc(-c3csc(C)n3)cc2)cc(C)c1C 12614690 AYIQFRHFSZMQBL-UHFFFAOYSA-N 429.567 3.573 0 40 IHAB COc1ccc(N(C(=O)c2csnn2)[C@H](C(=O)NC2CCCC2)c2ccccc2)cc1 12637774 JOJGRLBIRIIBSS-NRFANRHFSA-N 436.537 3.994 0 40 IHAB C[C@H](NC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2C)c1ccc(Cl)c(Cl)c1 12771101 APYQSCUMYAIFRY-QKVFXAPYSA-N 432.307 3.780 0 40 IHAB CCOc1ccc([C@H](CNC(=O)c2ccc(Cl)cc2F)N2CCOCC2)cc1OC 12801784 GJAPGPOCMOIJBF-IBGZPJMESA-N 436.911 3.690 0 40 IHAB CCc1ccc([C@H](C(=O)NCc2ccc(F)cc2)N(C(=O)c2csnn2)C2CC2)cc1 12872948 MDBFZCDJFREKNQ-OAQYLSRUSA-N 438.528 3.902 0 40 IHAB O=C(CN1c2cccc3cccc(c23)S1(=O)=O)N[C@@H]1CCSc2c(F)cccc21 12928145 ZBFAHWRBYYOZDV-MRXNPFEDSA-N 428.510 3.841 0 40 IHAB O=C(CN1CCN(C(=O)/C=C/c2c(F)cccc2Cl)CC1)Nc1ccccc1Cl 12985985 ZJUSPUUBRKDBCA-CMDGGOBGSA-N 436.314 3.929 0 40 IHAB C[C@H]1CCCC[C@H]1NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 13096367 VVMOMEBYGVQMAO-OXJNMPFZSA-N 444.553 3.957 0 40 IHAB O=C(NCCc1ccc2c(c1)OCCO2)c1cn(-c2ccccc2)nc1-c1cccnc1 13121299 ZTBYAQSMYLYHMT-UHFFFAOYSA-N 426.476 3.678 0 40 IHAB Cc1ccc(NC(=O)Cn2c(=O)n(CCc3ccccc3)c(=O)c3sccc32)cc1F 13533527 AZSLDZZWNSOTKL-UHFFFAOYSA-N 437.496 3.554 0 40 IHAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 14526268 YKCGPHSQQDJPMY-INIZCTEOSA-N 430.487 3.914 0 40 IHAB COc1ccc(NC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1OC 14797019 GGYXBVYNNRKJEM-UHFFFAOYSA-N 447.329 3.957 0 40 IHAB COC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)c1 15976608 MMIVCPAQTVKEGX-UHFFFAOYSA-N 428.441 3.665 0 40 IHAB Cc1cnc(C(=O)N2CCc3nc(-c4cccnc4)nc(Nc4cccc(F)c4)c3C2)cn1 19238930 ISNPRHSJWXSQKV-UHFFFAOYSA-N 441.470 3.718 0 40 IHAB O=C(Cc1cccs1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C1CCCCC1)CC2 19343234 SOZNTVNVLAXUQI-OAQYLSRUSA-N 440.613 3.819 0 40 IHAB CCN1CCN(C(=O)c2nccn2C)C[C@@H](Cc2ccc(-c3cccc(C)c3)cc2)C1=O 19527320 WLFCDCVPVIWTFL-HSZRJFAPSA-N 430.552 3.559 0 40 IHAB CNC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2cc(OC)ccc2OC)C1 19591674 FVSUFHAYDHOAAO-HHHXNRCGSA-N 445.563 3.947 0 40 IHAB CC1=NN(CCC(=O)N2CCC[C@H]2c2nc(N(C)C)ncc2-c2ccc(Cl)cc2)CC1 19690156 DATKUCDOOQUCFA-FQEVSTJZSA-N 440.979 3.998 0 40 IHAB COCCC(=O)N1CCC[C@@](O)(c2nc(C)c(COc3ccc(F)c(F)c3)s2)CC1 19705202 JOLMIPGWMZODRC-NRFANRHFSA-N 440.512 3.545 0 40 IHAB CC[C@H](c1ccc(F)cc1)N(C)C(=O)Cn1cccc(C(=O)NC2CCCCC2)c1=O 19750571 ICHZBTWYQMCUEV-OAQYLSRUSA-N 427.520 3.660 0 40 IHAB COc1ccc([C@H](CC(C)C)NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)cc1 20043298 JARXSKUSLCUTCW-NRFANRHFSA-N 432.586 3.982 0 40 IHAB COC(=O)c1ccccc1NC(=O)Nc1cccc(OCc2cc(=O)n3ccccc3n2)c1 21099554 SFDFALDKPYZPFL-UHFFFAOYSA-N 444.447 3.704 0 40 IHAB CCOc1ccc(CNC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1OCC 22330120 CDIHEERWHQNUBX-UHFFFAOYSA-N 448.585 3.690 0 40 IHAB CCCCN(C(=O)c1cc(Cl)nc2ccccc12)c1c(N)n(CCCC)c(=O)[nH]c1=O 23078951 VLFACCQWAAYJRH-UHFFFAOYSA-N 443.935 3.567 0 40 IHAB COc1cc(OC)cc(C(=O)N[C@H](C(=O)N(C)Cc2c(F)cccc2Cl)C(C)C)c1 23528924 FYODFMYPUPIBHX-FQEVSTJZSA-N 436.911 3.909 0 40 IHAB Cn1ccnc1[C@@H](NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)c1ccc(F)cc1 23777583 MESIKEMYPMDWEF-NQIIRXRSSA-N 435.503 3.709 0 40 IHAB C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 24820649 ROEPJLJMJDPUCI-INIZCTEOSA-N 426.904 3.674 0 40 IHAB CCNC(=O)COc1ccc(C(=O)Nc2c(-c3ccc(F)cc3)nc3sccn23)cc1 25044455 GTTKWSBSEJDCKF-UHFFFAOYSA-N 438.484 3.969 0 40 IHAB COc1ccccc1CNC(=O)C[C@@H]1CCNC[C@@H]1Cc1cc(-c2ccc(F)cc2)on1 31153327 HKKPIUGQEHUADT-ICSRJNTNSA-N 437.515 3.964 0 40 IHAB biogenic,in-vitro Cc1cc(=O)oc2cc(OCc3noc(C(=O)N[C@H](C)CCc4ccccc4)n3)ccc12 32103353 PUEQVPGXERKEBB-MRXNPFEDSA-N 433.464 3.815 0 40 IHAB biogenic CCOC(=O)c1cc(OS(=O)(=O)c2ccc(F)cc2Cl)cc(C(=O)OCC)c1 32755213 JUPDNFARMIDCPL-UHFFFAOYSA-N 430.837 3.600 0 40 IHAB COc1cc(OC)cc(C(=O)Nc2ccc(C)c(OCc3cc(=O)n4oc(C)cc4n3)c2)c1 35378627 HJSTZQLJPKUDKX-UHFFFAOYSA-N 449.463 3.753 0 40 IHAB O=C(O)[C@@H](c1c[nH]c2cc(CO)ccc12)N1CCN(Cc2ccc(Cl)cc2Cl)CC1 36353596 QJSDHHPRZJFUDN-OAQYLSRUSA-N 448.350 3.911 0 40 IHAB Cc1nn(C)cc1-c1cc(-c2cn(C)nc2C)n(S(=O)(=O)c2ccc3ccccc3c2)n1 36611595 MLSXYZDTRSGBNN-UHFFFAOYSA-N 446.536 3.691 0 40 IHAB COc1ccc(C(=O)CS[C@@H]2CCc3c2[nH]c(=O)n(C2CCCCC2)c3=O)cc1OC 41104809 ZRSITCXNQGRPGY-HXUWFJFHSA-N 444.553 3.662 0 40 IHAB C[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1)c1ccc(F)cc1 44900288 VDKQIQKEYHBDRU-HNNXBMFYSA-N 438.952 3.898 0 40 IHAB CSc1nn(CC(=O)Nc2ccccc2F)c(N)c1-c1nc(-c2ccc(C)cc2)no1 46914346 GWTVPUKURPIGLN-UHFFFAOYSA-N 438.488 3.990 0 40 IHAB CS(=O)(=O)c1cccc(C(=O)N2CCC(Oc3nc4c(F)cccc4s3)CC2)c1 49432555 DJQACAJMRAQBDR-UHFFFAOYSA-N 434.514 3.523 0 40 IHAB COc1ccccc1N1CCN([C@H](CNC(=O)c2ccc(F)cc2)c2cccnc2)CC1 56896211 UBHSDGGRSCYUEY-HSZRJFAPSA-N 434.515 3.523 0 40 IHAB CCOC(=O)C1=C(CN2CCc3ccccc3C2)NC(=O)N[C@H]1c1ccccc1Cl 57478347 JCEWNOFOHDFXEU-NRFANRHFSA-N 425.916 3.569 0 40 IHAB O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)[C@@H]1CC[C@H](C(F)(F)F)NC1=O 58027521 FWUZAUVTECNSJM-SQGPQFPESA-N 429.442 3.873 0 40 IHAB COc1ccc(-c2nc(NC(=O)c3cc(-c4cnn(C)c4C)[nH]n3)sc2C)cc1F 72390455 XVXGUSSMADFISM-UHFFFAOYSA-N 426.477 3.951 0 40 IHAB Cc1cc(C(=O)N2CCC(c3cc4nc5c(c(O)n4n3)CN(C(C)C)CC5)CC2)cs1 72398763 VJAWXXLNKCPXGM-UHFFFAOYSA-N 439.585 3.591 0 40 IHAB Cc1ccc(-n2nnc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)n2)cc1 77100295 KUBVYGZKBVFTFZ-UHFFFAOYSA-N 438.535 3.518 0 40 IHAB CCOc1ccc(O[C@H](C)C(=O)Nc2cc(N3CCN(c4ccccc4)CC3)ncn2)cc1 77200542 WUTVYSSVXBUMAM-LJQANCHMSA-N 447.539 3.608 0 40 IHAB COc1ccc(C(=O)N2CC[C@H](C)[C@H]3CCCC[C@H]32)cc1S(=O)(=O)NC1CCCC1 78355195 PKRQLJVNYWNFHD-PWIZWCRZSA-N 434.602 3.957 0 40 IHAB CC(C)(C)C(=O)N1CCC[C@H](C(=O)N2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)C1 89621247 UKKOGDRAYJJVDK-CGTJXYLNSA-N 426.479 3.624 0 40 IHAB CC(=O)c1cccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)C(=O)c2ccccc2)c1 100395598 MTRDJRREEWGBFT-SJUWYAIISA-N 440.499 3.547 0 40 IHAB C[C@@H](OC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)C(=O)c1ccccc1 100638069 VDRFPLUIQRTPGT-UYJZBPPOSA-N 441.483 3.672 0 40 IHAB O=c1c(CN2CCN(c3ccccc3)CC2)coc(O)c1CN1CC[C@H](c2ccccc2)C1 101373665 XNFOGJBUODMBFK-QFIPXVFZSA-N 445.563 3.657 0 40 IHAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)C1CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC1)C2 102263418 VBIMVPWQQQESTK-LYLBAIIYSA-N 440.556 3.697 0 40 IHAB COc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(F)cc4)N(c4ccccc4)O[C@H]3C2=O)c(OC)c1 102663094 UBZIBLXCIWQIKU-YTFSRNRJSA-N 448.450 3.894 0 40 IHAB COc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)N5CCN(c6cnccn6)CC5)(C4)C2)C3)cc1 104744809 SXHAIYYPHDEZHI-WSQGFLFRSA-N 432.568 3.672 0 40 IHAB CCOc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2ccc(C)c(Cl)c2)CC1=O 111881063 GMHHVOPZLNQEBP-OAHLLOKOSA-N 430.888 3.582 0 40 IHAB Cc1ccc(S(=O)(=O)n2ccc3c(I)c(Cl)cnc32)cc1 115957188 FVFQYOLFKLWEOS-UHFFFAOYSA-N 432.670 3.840 0 40 IHAB COc1ccc(C)cc1N([C@@H](C)C(=O)Nc1cccc(C(F)(F)F)c1)S(C)(=O)=O 220328850 FGVOAJMFKQWFDC-ZDUSSCGKSA-N 430.448 3.816 0 40 IHAB CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CSCc1ccc(Br)cc1 222876119 XFDAEMQQAFZIPU-INIZCTEOSA-N 449.414 3.888 0 40 IHAB CCCc1ccc(OCCNC(=O)[C@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1 224043138 VVIWVWSDLAQUOR-IBGZPJMESA-N 432.586 3.606 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(Br)c(C)c2)cc1Cl 224961125 OVMSPPVWNNJADP-UHFFFAOYSA-N 448.722 3.699 0 40 IHAB FC(F)(F)c1ccnc(N2CCN(C3CCN(CCOc4ccccc4)CC3)CC2)c1 252492553 MPBYWCQDHOHSGY-UHFFFAOYSA-N 434.506 3.766 0 40 IHAB Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)N[C@@H](C)CCc1ccccc1 408581805 ALKACHYATCSXHL-FQEVSTJZSA-N 444.597 3.686 0 40 IHAB CCOC(=O)C1=C(c2ccccc2)NC(=S)N[C@H]1c1ccc(OC)c(Br)c1 408606478 HZSVIDJKZNONGM-SFHVURJKSA-N 447.354 3.951 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC(=O)NCCc2ccccc2)C2CCCCC2)cc1 408622407 OIAFJQVRPUVWLO-UHFFFAOYSA-N 444.597 3.768 0 40 IHAB COc1ccc(NC(=O)CN2c3ccc(C)cc3-c3ccccc3S2(=O)=O)cc1OC 408627894 RBOFEHUIIOQRGK-UHFFFAOYSA-N 438.505 3.827 0 40 IHAB CCc1nc(S/C(=C\c2cc(Br)cc(Br)c2O)C(=O)O)n[nH]1 408630507 AUIOFAYZAHJHMW-WTKPLQERSA-N 449.124 3.816 0 40 IHAB CCc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1cc(OC)ccc1OC 408647029 RDQDAEGGOMDDKM-UHFFFAOYSA-N 428.485 3.557 0 40 IHAB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)Nc1ccc(Cl)c(Cl)c1 409146605 UBLOFHCGYGXVAE-NSHDSACASA-N 425.243 3.667 0 40 IHAB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3nc4c(F)cccc4[nH]3)cc2)c1 502543598 QUNGBGPIPSQOES-UHFFFAOYSA-N 438.484 3.872 0 40 IHAB O=C(CN1CCCCCOc2ccccc2Oc2ncccc2C1)NCCCCCO 643575574 LNDJWLMWHRJGFI-UHFFFAOYSA-N 427.545 3.517 0 40 IHAB CCN1CCCCN(C(=O)Cn2cc(C)cn2)[C@@H](CC(C)C)COc2ccccc2C1=O 643582685 HMOLXDHFXBEYPF-NRFANRHFSA-N 440.588 3.770 0 40 IHAB COc1ccccc1[C@H]1[C@H](C(=O)NCC2CCOCC2)SCC(=O)N1C1CCCCC1 952964471 CCUPFVVBLVYYAI-XZOQPEGZSA-N 446.613 3.556 0 40 IHAB CCc1nnc2sc(-c3ccc(NC(=O)c4cc(OC)c(OC)c(OC)c4)cc3)nn12 815710 GPBBYHZWMYMKGO-UHFFFAOYSA-N 439.497 3.693 0 40 IHAB CCc1ccc(OCc2nnc(SCC(=O)Nc3ccc4c(c3)OCO4)n2CC)cc1 881645 MGPZDAQVLRQCIV-UHFFFAOYSA-N 440.525 3.899 0 40 IHAB O=c1[nH]c2ccccc2c(=O)n1CCCCCCN1CCN(c2cccc(Cl)c2)CC1 1563984 BUYIIOPUUZPKTC-UHFFFAOYSA-N 440.975 3.726 0 40 IHAB CC[C@]1(C)Cc2c(sc3nc(SCC(=O)O)n(Cc4ccccc4)c(=O)c23)CO1 2254518 MXMNQXMTQKGYAO-OAQYLSRUSA-N 430.551 3.924 0 40 IHAB CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1ccc(OCC(C)C)c(OC)c1 2487047 LIBMKVBLPDGQHB-FQEVSTJZSA-N 432.542 3.943 0 40 IHAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)COC(=O)[C@H](O)c1ccccc1 2638017 GRLKGTKNNKHIHU-HXUWFJFHSA-N 439.489 3.807 0 40 IHAB O=C(COc1cccc2c1CCN(Cc1ccc(Br)cc1)C2=O)N1CCCC1 2716205 UOXFEMDZVVIUHG-UHFFFAOYSA-N 443.341 3.649 0 40 IHAB O=C(OCc1cccs1)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 4001739 HFEGLUYENROKRX-UHFFFAOYSA-N 431.491 3.677 0 40 IHAB aggregator Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cccn3-c3ccc(C)cc3C)C2=O)c1 8451822 KZMFDHQUBNRVCU-KGENOOAVSA-N 428.492 3.934 0 40 IHAB Cn1nc(-c2cccs2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)COc1ccccc1 8635422 FVQHSTSRZTXEJD-NSHGMRRFSA-N 436.581 3.522 0 40 IHAB biogenic,in-vitro CC1(C)CCc2c(cc(OCC(=O)NCc3ccccn3)c3c4c(c(=O)oc23)CCCC4)O1 8791445 FVXHSQJZKKUDCQ-UHFFFAOYSA-N 448.519 3.866 0 40 IHAB biogenic O=C(Cc1csc(SCC(=O)Nc2ccc(Cl)cc2)n1)NCc1ccncc1 8852608 WMVPVFAUZMEPGJ-UHFFFAOYSA-N 432.958 3.781 0 40 IHAB O=C(Nc1nc2c(s1)CC[C@@H]2C(=O)N1CCN(c2ccccc2)CC1)c1ccccc1 8979644 KULCHSFIIPXIKR-IBGZPJMESA-N 432.549 3.774 0 40 IHAB CC(C)c1ccc(C(=O)NC(=S)Nc2ccc(I)cn2)cc1 9076576 KCMCKJKSDUPXGJ-UHFFFAOYSA-N 425.295 3.936 0 40 IHAB Cc1ccc2[nH]c(C(=O)O)c(NC(=O)CN3CCN(c4cccc(Cl)c4)CC3)c2c1 9266716 BRJZCEMUVXUOFM-UHFFFAOYSA-N 426.904 3.589 0 40 IHAB Cn1c(=O)c2c(-c3ccc(Cl)cc3)n3c(c2n(C)c1=O)[C@H](c1ccccc1F)OCC3 9303081 WXOXCCFFYDWWIY-NRFANRHFSA-N 439.874 3.618 0 40 IHAB CC(=O)c1cccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 9457352 OIKUMDUGSZZKFO-UHFFFAOYSA-N 448.850 3.821 0 40 IHAB CCOc1ccc(CCNC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1OCC 9465581 PZQVXVDYHLQRFC-UHFFFAOYSA-N 439.961 3.660 0 40 IHAB O=C(CNc1ccc(C(F)(F)F)cc1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 9469544 NADKVEORXAEDGX-UHFFFAOYSA-N 427.448 3.541 0 40 IHAB O=C(CSc1nc(O)c2cnn(-c3cccc(Cl)c3)c2n1)N1CCc2ccccc21 9590909 SNKLZANOVWVGPK-UHFFFAOYSA-N 437.912 3.856 0 40 IHAB O=C(Oc1ccc(Br)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1 9645357 BQDCWMCRHUTXQP-UHFFFAOYSA-N 430.345 3.517 0 40 IHAB COc1ccc([C@H]2c3c(-c4ccc(Cl)cc4Cl)nnc(O)c3Nc3nnnn32)cc1 10298120 GIYCRJZAPLZMFW-KRWDZBQOSA-N 442.266 3.846 0 40 IHAB Cc1ccc(C)c(N([C@H](C)C(=O)Nc2ccccc2C(=O)NC(C)(C)C)S(C)(=O)=O)c1 10367900 SOWYJZBVXLQOQP-QGZVFWFLSA-N 445.585 3.625 0 40 IHAB CCCOc1ccccc1CN1CCN(c2c(F)cccc2[C@H](O)c2nccn2C)CC1 12143406 GZIRDQBFWYRUHD-DEOSSOPVSA-N 438.547 3.752 0 40 IHAB COc1ccc(OC)c([C@H]2c3cccn3CCN2S(=O)(=O)c2ccc(F)cc2F)c1 12361756 HPXJPFNHTXEYEE-NRFANRHFSA-N 434.464 3.577 0 40 IHAB COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)cc1NC(C)=O 12569319 VPKNVWDSNHKDJB-UHFFFAOYSA-N 446.525 3.516 0 40 IHAB C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(NC(=O)c2ccc(F)cc2F)s1 12643327 HZXZQOWKOKLAIM-PHIMTYICSA-N 426.514 3.950 0 40 IHAB O=C(Nc1cccc2ccccc12)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 13008467 YPTYJWJDLPVUGK-UHFFFAOYSA-N 430.913 3.766 0 40 IHAB CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)Nc3ccccc3C)CC2)cc1 13039956 HPZFNOKLOLNXCR-UYAOXDASSA-N 443.613 3.842 0 40 IHAB COc1ccc(Cl)cc1N([C@H](C)C(=O)NCCCc1cccc(C)c1)S(C)(=O)=O 13674745 BPAXVASUTWCZJJ-MRXNPFEDSA-N 438.977 3.561 0 40 IHAB Cc1c(S(=O)(=O)c2ccc(F)cc2)c(NC(=O)[C@H]2CCCO2)n(Cc2ccco2)c1C 13734724 FUMRZPVVNMSUGS-LJQANCHMSA-N 446.500 3.836 0 40 IHAB C[C@H](OC(=O)C1CCN(c2nc3ccccc3o2)CC1)C(=O)N1CCc2ccccc2C1 14147371 NEUQOSQXNPGGEC-KRWDZBQOSA-N 433.508 3.561 0 40 IHAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(c2nc3ccccc3s2)CC1 14250587 VNIATUGFAYHYSF-UHFFFAOYSA-N 427.473 3.826 0 40 IHAB COc1ccc(C(=O)Nc2ccccc2C(C)=O)cc1S(=O)(=O)N1CCCC[C@H]1C 14378769 LZSOVWZFHIESLG-OAHLLOKOSA-N 430.526 3.713 0 40 IHAB O=C(/C=C/c1ccc(Cl)cc1Cl)N1CCN(S(=O)(=O)c2ccccc2)CC1 14685628 SGMONNHWDKCEFA-VQHVLOKHSA-N 425.337 3.540 0 40 IHAB CCOc1cc(/C=C/C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)ccc1OC(F)F 15012772 QGHUAPVEPTWCCC-SOFGYWHQSA-N 449.406 3.912 0 40 IHAB Cc1cc2c(cc1Cl)[C@@H](O)CC1(CCN(C[C@H](O)c3ccc4c(c3)CCO4)CC1)O2 19125698 HZEGJYYETSDJEB-SFTDATJTSA-N 429.944 3.967 0 40 IHAB Cc1ccc2[nH]c([C@H]3CCCN(C(=O)CCN4CCOCC4)C3)c(-c3ccncc3)c2c1 19220229 NDATVAYYMVUACL-NRFANRHFSA-N 432.568 3.967 0 40 IHAB Cc1ccccc1-c1noc([C@@H]2CN(C(=O)COc3ccc(F)c(Cl)c3)CCO2)n1 19237497 UXAHSTUDIXMZHX-SFHVURJKSA-N 431.851 3.816 0 40 IHAB CCc1cc(C(F)(F)F)c2c(C3CCN(C(=O)c4ccc(C)n(C)c4=O)CC3)noc2n1 19522082 PRPDFFGCPHUGMQ-UHFFFAOYSA-N 448.445 3.831 0 40 IHAB C=Cn1ncc(CN2CCC(C[C@@H]3CC(c4ccccc4F)=NO3)(C(=O)O)CC2)c1C 19554339 ZHWYYOBTIQJROH-SFHVURJKSA-N 426.492 3.681 0 40 IHAB CNc1cc(CN(C)C(C)=O)nc([C@@H]2CCCN2Cc2c(C)n(C)c3cc(C)ccc23)n1 19760563 GUWXEGPNWWGZQL-QFIPXVFZSA-N 434.588 3.942 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)c(F)c3)cc2)cc1 20020397 NGGJPWVXWKIXTQ-UHFFFAOYSA-N 448.447 3.792 0 40 IHAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc(OC(F)F)c(OC)c1 20840417 RIAVLTKYWSVLSP-UHFFFAOYSA-N 425.428 3.658 0 40 IHAB O=C(N[C@H](Cc1ccccc1)C(=O)Nc1nc(CN2CCCCC2)cs1)c1ccco1 22289380 DSMIKXPDJWVZJE-LJQANCHMSA-N 438.553 3.702 0 40 IHAB CCc1ccc(N(CC(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)S(C)(=O)=O)cc1 22361767 UXCBQAIMFTYKCN-FQEVSTJZSA-N 430.570 3.742 0 40 IHAB COc1cccc(-c2nc(C)c(C(=O)NCC3(N4CCN(C)CC4)CCCCC3)s2)c1 22935599 LEQVGWYNWCFSJR-UHFFFAOYSA-N 442.629 3.807 0 40 IHAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(Cc1nnnn1-c1ccccc1)CC2 23983887 AWOXSOVYGWHGEB-QHCPKHFHSA-N 433.537 3.889 0 40 IHAB O=C(Cc1cccc(C(F)(F)F)c1)N1CCN(Cc2nc(-c3cccs3)no2)CC1 25605820 BVROHJAXURNDQK-UHFFFAOYSA-N 436.459 3.704 0 40 IHAB Cc1cc(OCC(=O)Nc2sc(-c3ccccc3)c(C)c2C(=O)N2CCOCC2)no1 25732390 ZJVWVZOPTRCEHO-UHFFFAOYSA-N 441.509 3.510 0 40 IHAB NS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(COc3cccc(F)c3)c2)cc1 31398282 QEWZMNMLLGGEFW-UHFFFAOYSA-N 428.485 3.623 0 40 IHAB C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(NC(=O)[C@H]2COc3ccccc3C2)cc1 34872009 YQXMYIKKCPMNQP-ZHALLVOQSA-N 428.554 3.828 0 40 IHAB O=C(Nc1cccc(OC(F)(F)F)c1)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 40057763 IQJJHOLSSSVYCJ-JKSUJKDBSA-N 428.407 3.506 0 40 IHAB CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)NCc2ccc(OC(F)F)cc2)cc1 40103874 DEVNOQXLDJFFIW-UHFFFAOYSA-N 427.473 3.639 0 40 IHAB O=C(Cn1ccc2ccc(OCc3ccccc3)cc21)N1CCN(c2ccccn2)CC1 40283776 OMDAIUROTLVIAL-UHFFFAOYSA-N 426.520 3.964 0 40 IHAB Cc1cc2c(=O)[nH]c(CSCC(=O)Nc3nnc(Cc4ccccc4)s3)nc2s1 44920854 GRUMVTRETJDVNT-UHFFFAOYSA-N 443.579 3.607 0 40 IHAB CCOc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)NCc2ccccc2)cc1 48991148 QRYBSZWXDDNJQF-UHFFFAOYSA-N 430.551 3.902 0 40 IHAB Cc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2CCc2cccs2)no1 57473390 DCLYOHOSQQXPPH-UHFFFAOYSA-N 426.523 3.728 0 40 IHAB Cc1noc(CCC(=O)N2CCCC[C@@H]2Cc2c(C(=O)N(C)C)sc3ccccc23)n1 72370509 TUNJTSYVMPEPOC-MRXNPFEDSA-N 440.569 3.851 0 40 IHAB Cc1nnc(Nc2cccc(C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)n2)s1 72376144 BFFIXXDMCGPVIP-UHFFFAOYSA-N 433.534 3.693 0 40 IHAB COCC(=O)N1CCCc2ccc(NC(=O)CCc3ccccc3Br)cc21 96120152 MWCLGCRGRTUXHL-UHFFFAOYSA-N 431.330 3.946 0 40 IHAB COc1cc(/C=C\C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc(OC)c1OC 96585555 IERCZRRDSOPUCB-OTIVFRFGSA-N 425.481 3.861 0 40 IHAB CC1(C)C[C@H]2C[C@@](C)(CN2[C@H](C(=O)O)c2c[nH]c3ccc(NC(=O)/C=C/C(=O)O)cc23)C1 101644314 VZCFUIKILGYNGM-HNXOEYIYSA-N 439.512 3.774 0 40 IHAB C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C1(NC(=O)OC(C)(C)C)Cc2ccccc2C1 106913914 FMCKSYYAAFCCQH-QRVBRYPASA-N 429.605 3.531 0 40 IHAB C[C@H](C(=O)NCCSCc1ccc(Cl)cc1)N(c1ccccc1F)S(C)(=O)=O 220298610 DVXYFIOHBVGJCH-CQSZACIVSA-N 444.981 3.683 0 40 IHAB Cc1ccc(Cl)cc1N(CCCC(=O)NCCOCc1ccccc1)S(C)(=O)=O 224049951 HZQDPZPTRPRBMN-UHFFFAOYSA-N 438.977 3.528 0 40 IHAB Cc1cc(Cl)ccc1N(CC(=O)Nc1nnc(-c2ccccc2)s1)S(C)(=O)=O 224842869 UIMYBDRADXOTRP-UHFFFAOYSA-N 436.946 3.572 0 40 IHAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)N[C@H](C)c3ccc(C)c(C)c3)s2)c1 224943887 UTZFWJFZOLJGBR-OAHLLOKOSA-N 430.555 3.755 0 40 IHAB COc1ccc([C@H](CC(C)C)NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 225469950 ISLXIHNWHOVGTL-QHCPKHFHSA-N 444.597 4.000 0 40 IHAB CCOC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1Cl 225568637 MDNFDAQDEOXUJO-UHFFFAOYSA-N 436.917 3.554 0 40 IHAB Cc1ccccc1Cc1cccc([C@@H]2CN(CC(=O)Nc3ccnn3C(C)C)CCO2)n1 257250743 JNWCFIGLDZYEIS-QHCPKHFHSA-N 433.556 3.770 0 40 IHAB O=C(Nc1cc2nc(O)[nH]c2cc1N1CCN(c2ccccc2)CC1)c1ccccc1F 408533699 OVCFLYRSDDQPTL-UHFFFAOYSA-N 431.471 3.987 0 40 IHAB O=C(NC1CC1)C(=O)Nn1c(C(=O)Nc2ccc(Cl)cc2)cc2cc(Cl)ccc21 408602320 CXJHZGPVLZDINA-UHFFFAOYSA-N 431.279 3.549 0 40 IHAB COc1cccc(N(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)S(C)(=O)=O)c1 408615483 ATTHJWKUPWRTPO-UHFFFAOYSA-N 436.839 3.772 0 40 IHAB Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2cccc(C(=O)OCC(C)C)c2)cc1 408660100 KVCBLGIQZFYQGI-UHFFFAOYSA-N 440.496 3.708 0 40 IHAB CCOc1ccc(NC(=O)COc2ccc(C(=S)N3C[C@@H](C)O[C@H](C)C3)cc2)cc1 409231141 IFUKYACTQJUFRQ-IAGOWNOFSA-N 428.554 3.888 0 40 IHAB C[C@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2cccc(Cl)c2)n1C 409341438 BTEYTNKETZGFAV-ZDUSSCGKSA-N 429.933 3.690 0 40 IHAB Cc1ccc(CC(=O)N2CCC3(CC2)CN(C(=O)CN(C)C)c2ccc(Cl)cc23)cc1 585103644 HTKGBKXOZZQMEH-UHFFFAOYSA-N 439.987 3.660 0 40 IHAB CCCc1cnc(Nc2cc(C)nc(C3CCN(C(=O)[C@@H]4CCCCN4)CC3)n2)s1 585263506 OXAXQMOOEQQICC-SFHVURJKSA-N 428.606 3.786 0 40 IHAB COc1cccc(N2CC[C@H](NC(=O)c3nc(-n4nc(C)cc4C)ccc3Cl)C2)c1 590486051 OGXPZVGPVZHIPH-INIZCTEOSA-N 425.920 3.555 0 40 IHAB COc1cccc(NC(=O)N2CC[C@@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@H]32)c1OC 1889197942 ZTJZDHQYUVLLEP-CZUORRHYSA-N 436.434 3.860 0 40 IHAB CCOc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(OC)cc1OC 641182 DNMGUEMIWWSOIJ-FQEVSTJZSA-N 427.526 3.534 0 40 IHAB CCOC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 645253 NPOLFXSFFZZTBB-UHFFFAOYSA-N 430.526 3.680 0 40 IHAB CS(=O)(=O)N1N=C(c2ccccc2)C[C@H]1c1cc2cc3c(cc2nc1Cl)OCCO3 1243731 LSCKGEMWQVDRCI-SFHVURJKSA-N 443.912 3.770 0 40 IHAB O=C(COC(=O)[C@H]1CCCN1C(=O)c1cccs1)Nc1nc(-c2ccccc2)cs1 3296498 ZEWBUXYVLVNDOH-MRXNPFEDSA-N 441.534 3.658 0 40 IHAB CC(C)Cn1c(SCC(=O)N2CC(=O)Nc3ccccc32)nnc1-c1ccccc1F 3358461 JXJXWAQXLUELAD-UHFFFAOYSA-N 439.516 3.818 0 40 IHAB CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1cc(S(C)(=O)=O)ccc1Cl 3384443 DIYYIFPUQGDSHF-UHFFFAOYSA-N 437.945 3.728 0 40 IHAB COc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1S(=O)(=O)N1CCCC1 3603057 RYDSKIALYMBNOF-UHFFFAOYSA-N 443.352 3.717 0 40 IHAB O=C(COC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)NCCC1=CCCCC1 8825366 JGUMFIAYWWUHAR-UHFFFAOYSA-N 432.948 3.742 0 40 IHAB O=C(COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)Nc1cccc(Cl)c1 9055738 WSDXMPXJRHYABU-UHFFFAOYSA-N 434.835 3.936 0 40 IHAB CC(C)OC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)c2ccc(F)cc2)cc1 9094712 FTQRPFRNNOHZCE-UHFFFAOYSA-N 429.444 3.926 0 40 IHAB COc1cccc(-c2nnc(S[C@@H](C(=O)NC(N)=O)C(C)C)n2-c2ccc(C)cc2)c1 9126221 DYAPBGQRFOMFMJ-GOSISDBHSA-N 439.541 3.563 0 40 IHAB COc1cc(NC(=O)COc2cc3oc(=O)cc(C)c3cc2Cl)cc(OC)c1OC 9409548 WNAXLHQQBWKLCR-UHFFFAOYSA-N 433.844 3.798 0 40 IHAB COc1cccc2ccc([C@H]3C(NC(=O)c4ccc(Cl)cc4)=C(C)N=C4NC=NN43)nc12 9422101 QJVRABKZJRSWJG-NRFANRHFSA-N 446.898 3.818 0 40 IHAB O=C(CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)NC(c1ccccc1)c1ccccc1 9441494 LSNWWLOQYLBZKI-RUZDIDTESA-N 445.544 3.737 0 40 IHAB C[C@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)c2ccc(N3CCCC3=O)cc2)C1=O 9578724 LJJVATLVHMSJKQ-AREMUKBSSA-N 441.487 3.617 0 40 IHAB O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)Nc1ccc(N2CCOCC2)cc1 9882419 UOKLXXWACGUNMW-UHFFFAOYSA-N 431.492 3.684 0 40 IHAB COc1ccc(C)cc1[C@H](C)NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 9919352 AXOUJIHXFCUHSX-INIZCTEOSA-N 428.510 3.566 0 40 IHAB Cc1c(O)ccc2c(COC(=O)[C@@H](CC(C)C)N3C(=O)c4ccccc4C3=O)cc(=O)oc12 10788059 MASOGUSXXMBLIG-LJQANCHMSA-N 449.459 3.561 0 40 IHAB Cc1ccc(CCC2CCN(C(=O)CNC(=O)c3ccc(N4CCCC4=O)cc3)CC2)cc1 10962898 TWSQKPVDZMULOI-UHFFFAOYSA-N 447.579 3.723 0 40 IHAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)OC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 11283914 MBKNQYWXITYGLH-DLBZAZTESA-N 438.499 3.587 0 40 IHAB COc1ccc(NC(=O)CSc2ccc(NC(=O)c3cccs3)nn2)cc1OC 11739386 DUESTHXFSKHBQX-UHFFFAOYSA-N 430.511 3.538 0 40 IHAB C[C@H](c1nccs1)N1C(=O)c2cccc(N3CCN(Cc4cccs4)CC3)c2C1=O 11785422 RBOOIAYGYUALPP-OAHLLOKOSA-N 438.578 3.884 0 40 IHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N1CCC[C@H](c2nc3ccccc3cc2C(N)=O)C1 12241641 KNUOMRIKHSKOIQ-FDDCHVKYSA-N 447.535 3.906 0 40 IHAB CCC(C)(C)NC(=O)[C@H](c1ccccn1)N(C(=O)c1csnn1)c1ccc(F)cc1 12867782 QJGVSJJKQXUZRV-SFHVURJKSA-N 427.505 3.765 0 40 IHAB COc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCCC[C@@H]1C 12882927 RLWVDYJVJNTCAE-HNNXBMFYSA-N 436.961 3.842 0 40 IHAB COc1cc2c(c3oc(=O)c(CC(=O)NCCCOC(C)C)c(C)c13)CCC(C)(C)O2 12900252 ZORCYSSOIFKFQG-UHFFFAOYSA-N 431.529 3.687 0 40 IHAB biogenic CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 12985530 SRTPRGMLVRTSHI-UHFFFAOYSA-N 426.460 3.690 0 40 IHAB C[C@H]1CCCC[C@@H]1NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 12996328 XEHVPXSKWPUMHJ-NHYWBVRUSA-N 426.888 3.674 0 40 IHAB CN(C)c1ccc([C@H](CNC(=O)CNC(=O)c2ccccc2)c2c[nH]c3ccccc23)cc1 13100912 MTTWSQKTUQITAK-QHCPKHFHSA-N 440.547 3.912 0 40 IHAB Cc1cc2nc(C)c(CCC(=O)N3CCN(Cc4nc5ccccc5s4)CC3)c(C)n2n1 13117529 ZPJJWWVAOKZZGG-UHFFFAOYSA-N 448.596 3.541 0 40 IHAB CCSc1nnc(NC(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2Cl)s1 13141143 HVZJIGPMQKZWDC-UHFFFAOYSA-N 434.996 3.586 0 40 IHAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccn(Cc3ccc(Cl)cc3Cl)n2)cc1 14235067 QOCLQRGERXOTCQ-UHFFFAOYSA-N 439.324 3.997 0 40 IHAB CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CC=C(c2ccccc2)CC1 15940533 SXPXBPXCXJOILO-HXUWFJFHSA-N 448.585 3.542 0 40 IHAB COc1ccc(NC(=O)Cn2cnc3c(sc4cccc(Cl)c43)c2=O)cc1OC 16960004 KJZRXEKESDDRQW-UHFFFAOYSA-N 429.885 3.921 0 40 IHAB O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc2c(c1)N(C(=O)c1cccs1)CCC2 17200469 JZCUASBEOHESRG-UHFFFAOYSA-N 445.500 3.576 0 40 IHAB CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CCCN2C(=O)CCC2CCCC2)n1 19689754 JSYCZHWSUXCHGQ-OAQYLSRUSA-N 435.572 3.942 0 40 IHAB CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CCN(C(=O)COc2ccc(F)cc2)C1 19702304 SDTDKASNNAZBNO-CQSZACIVSA-N 427.501 3.532 0 40 IHAB CC(C)NC(=O)c1sc2ncccc2c1[C@H]1CN(C(=O)CCc2ccccc2)CCO1 19703171 AIBMLGYHRZNTOC-LJQANCHMSA-N 437.565 3.967 0 40 IHAB Cc1nc([C@@H]2CCN(C(=O)Cc3ccccn3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 19753415 MUXWEDQBQZIGJQ-MRXNPFEDSA-N 435.915 3.644 0 40 IHAB CCOc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3cccc(Cl)c3)C2)c1 19866424 DJIYRLWVJBJSTM-KRWDZBQOSA-N 436.961 3.919 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc(C)c1 20006882 QPCSSUOHMHVNFW-NRFANRHFSA-N 438.549 3.840 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(F)c(F)c3)C2)cc1Cl 20016858 XZUYYRZFHQRAAX-GFCCVEGCSA-N 444.887 3.666 0 40 IHAB C[C@H](OC(=O)c1cn(C)nc1-c1ccc2c(c1)OCCCO2)C(=O)Nc1ccc(F)cc1 21414992 SIXQOAMMGWCKAE-AWEZNQCLSA-N 439.443 3.572 0 40 IHAB COc1ccccc1NC(=O)[C@H](C)OC(=O)[C@@H](C)SCC(=O)Nc1ccc(C)cc1 24791694 MQJKVICBYQTVQB-JKSUJKDBSA-N 430.526 3.634 0 40 IHAB CC(C)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C(=O)c1ccc(S(C)(=O)=O)cc1 24837672 WGLTVYPJYHFXRD-UHFFFAOYSA-N 433.917 3.844 0 40 IHAB CC(=O)c1ccc(N2CCN(C(=O)COc3ccccc3Br)CC2)c(F)c1 25063053 ODNGLAIVCCBKOD-UHFFFAOYSA-N 435.293 3.518 0 40 IHAB Cc1c(Cl)cccc1NC(=O)CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 25063958 FBOJBDNEUCZMLK-UHFFFAOYSA-N 428.916 3.953 0 40 IHAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1 25139778 ONYFBWKDGMWGJD-SFHVURJKSA-N 447.583 3.621 0 40 IHAB Cc1cc2ncc(C(=O)NCCSc3ncc(C(F)(F)F)cc3Cl)c(C)n2n1 25387299 DGECPBXBPJZQDS-UHFFFAOYSA-N 429.855 3.935 0 40 IHAB O=C(NCc1ccccc1Cn1cccn1)c1ccccc1SCC(=O)N1CCCC1 27254307 YVQMQAIDIXFXCC-UHFFFAOYSA-N 434.565 3.576 0 40 IHAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 30859980 ATGFKCAISRRXHR-GOSISDBHSA-N 446.916 3.727 0 40 IHAB CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)N(C)Cc1ccco1 31458261 LOYGOYQSSVVFKR-MRXNPFEDSA-N 425.348 3.552 0 40 IHAB O=C(Cc1ccccc1)Nc1ccc(NC(=S)NC(=O)c2ccc3c(c2)OCO3)cc1 32126913 HYYCXEGXAVUUJI-UHFFFAOYSA-N 433.489 3.723 0 40 IHAB Cc1cccc([C@@H](CC(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2Cl)NC(N)=O)c1 32796548 KDKJWIOCOXCRQA-WOJBJXKFSA-N 445.947 3.947 0 40 IHAB COC(=O)[C@H](c1ccccc1Cl)N1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1 32882079 KHDPSGLTLADHHV-QHCPKHFHSA-N 439.943 3.812 0 40 IHAB COc1ccc(CNC(=O)c2sccc2N(C)S(=O)(=O)c2ccc(OC)cc2)cc1 33141759 IRZAYNXVPVPVRQ-UHFFFAOYSA-N 446.550 3.520 0 40 IHAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)C1 48325345 AUJQKVQVORQULC-MRXNPFEDSA-N 430.555 3.509 0 40 IHAB COc1ccc(-c2noc(-c3cccn3CC(=O)NCc3ccc(C)cc3)n2)cc1OC 57487200 YSBOOLFLMGISKZ-UHFFFAOYSA-N 432.480 3.847 0 40 IHAB Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)Nc3cccc(Cl)c3)c2=O)c1 57490061 XRHFBMHESZZUMS-UHFFFAOYSA-N 425.897 3.814 0 40 IHAB CCC[C@@H](NC(=O)[C@@H](C)Sc1nnc(N2CCOCC2)n1CC(C)C)c1ccccc1 57865011 AZCSFXJLWBGOFZ-UYAOXDASSA-N 445.633 3.909 0 40 IHAB Cc1cc(Br)cnc1NC(=O)CC(=O)Nc1ncc(Br)cc1C 62701861 SEDJPOWOWZYBQS-UHFFFAOYSA-N 442.111 3.586 0 40 IHAB Cc1ccc(C)c(NC(=O)Cn2c(-c3cccc(Cl)c3)nc(C)c(CCO)c2=O)c1 67301658 NOMPNLVKAMWPSO-UHFFFAOYSA-N 425.916 3.662 0 40 IHAB CCOc1ccc(CNC(=O)c2cn(-c3cc(-c4nc(C(C)C)no4)ccn3)cn2)cc1 71768493 MZBJGQUHFYQZKB-UHFFFAOYSA-N 432.484 3.769 0 40 IHAB Cc1cc(-c2cc(=O)n(CC(=O)N[C@H]3CCCC[C@@H]3C)nc2-c2ccc(C)s2)on1 72337632 GRMIRHOCFACTRF-GUYCJALGSA-N 426.542 3.939 0 40 IHAB Cc1nn(C)cc1C(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(Cc1ccc(F)cc1)CCC2 72372905 FEHALVMCWLVMHT-QFIPXVFZSA-N 448.546 3.896 0 40 IHAB COc1cc(C)ccc1OCC(=O)N1C[C@H](NC(=O)OC(C)(C)C)CC[C@H]1C(F)(F)F 95997580 YPPYIYCHOYNYCW-PBHICJAKSA-N 446.466 3.829 0 40 IHAB Cc1ccc(N2C(=O)C[C@@H](c3c(C)nn(-c4nc5ccccc5[nH]4)c3O)C2=O)cc1Cl 100069132 NPASDIWZDDTYOY-AWEZNQCLSA-N 435.871 3.772 0 40 IHAB COC(=O)c1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(F)cc4)[C@H]3C2=O)cc1 100673304 APARKEVXSWZVIP-FSSWDIPSSA-N 446.434 3.663 0 40 IHAB CCOC(=O)c1ccc(NC(=O)/N=c2\c3ccccc3[nH]c(=O)n2Cc2cccs2)cc1 100903361 IUYDFEDQOIQWQK-LHLOQNFPSA-N 448.504 3.749 0 40 IHAB COc1cc(Br)cc2c1O[C@@]1(C)C[C@H]2NC(=O)N1c1cccc(C(=O)O)c1 101336317 MWKXNWACNZAFGI-KUHUBIRLSA-N 433.258 3.926 0 40 IHAB O=C(c1ccccc1Br)N1CCC[C@H](S(=O)(=O)c2ccc(F)cc2)C1 211105605 BXUDNXVPIDILPA-HNNXBMFYSA-N 426.307 3.667 0 40 IHAB COc1ccc(C)cc1N([C@@H](C)C(=O)NCCCc1ccc(Cl)cc1)S(C)(=O)=O 220342666 DVYLEPLYGXNLJI-INIZCTEOSA-N 438.977 3.561 0 40 IHAB Cc1ccccc1[C@@H](NC(=O)CN(Cc1ccccc1F)S(C)(=O)=O)c1ccccc1 222558202 SWDSXTJKBLBYAI-DEOSSOPVSA-N 440.540 3.802 0 40 IHAB COc1ccc(CCCNC(=O)CCCN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 222572980 UGVFKYCFIZWXDS-UHFFFAOYSA-N 432.586 3.607 0 40 IHAB COc1ccc(NS(=O)(=O)c2cc(C(=O)OC(C)C)ccc2NC[C@H]2CCCO2)cc1 223427186 ODKYOJCUJMFDNL-LJQANCHMSA-N 448.541 3.652 0 40 IHAB CCC(=O)N1CCc2cc(S(=O)(=O)NCCOc3ccccc3C(C)(C)C)ccc21 223737970 UIVHGPPFJYOJTK-UHFFFAOYSA-N 430.570 3.641 0 40 IHAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CCc1ccc2c(c1)OCCO2 223752551 ICOMYWKCVKUYAI-IBGZPJMESA-N 436.552 3.867 0 40 IHAB CC1(C)CCc2cc(S(=O)(=O)NCc3nc(-c4ccccc4Cl)no3)ccc2O1 223775743 BUWXOOYEXDUBKP-UHFFFAOYSA-N 433.917 3.972 0 40 IHAB COc1ccc(OCCNC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)cc1 224547682 GTZVUJOMVIVGSM-UHFFFAOYSA-N 447.373 3.865 0 40 IHAB O=C(Cc1ccc(OC(F)(F)F)cc1)NC1CCN(c2ncnc3c2CCCC3)CC1 225738153 HLAKKHRAZBALCS-UHFFFAOYSA-N 434.462 3.582 0 40 IHAB Cc1noc(-c2ccn3c(CNC(=O)C4(c5ccc(Cl)cc5)CCCC4)nnc3c2)n1 225744397 JFXAGZDQKIMBPW-UHFFFAOYSA-N 436.903 3.869 0 40 IHAB CCc1ccc(N(CN2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)C(=O)c2ccccc2)cc1 226389717 NSUNHNZFLSVMNS-JHXGOWNISA-N 426.516 3.906 0 40 IHAB Cc1cccc(N2CCN(C(=O)c3cnc(OC4CCOCC4)c(Cl)c3)CC2)c1C 240067824 SDCHLRRHZGAYBN-UHFFFAOYSA-N 429.948 3.872 0 40 IHAB COc1cccc(Cc2cnc([C@H]3CCCN(C(=O)CN(C)Cc4cccnc4)C3)o2)c1 257206514 BDVQMTQNHWRISJ-NRFANRHFSA-N 434.540 3.507 0 40 IHAB CCOC(=O)Nc1cc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)ccc1OC 408586778 QTLKNRHXXRLRLU-UHFFFAOYSA-N 432.542 3.907 0 40 IHAB Cc1cc(C)cc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)c2)c1 408660248 NFFPPAUTCXANDK-SFTDATJTSA-N 434.492 3.779 0 40 IHAB Cc1cccc(CSCCNC(=O)CCCN(c2cccc(C)c2)S(C)(=O)=O)c1 408678318 FNKOVAMQUUANAP-UHFFFAOYSA-N 434.627 3.899 0 40 IHAB CCOc1cc(/C=c2/sc3nc4ccccc4n3c2=O)cc(Br)c1OC 408755059 POGAJNPPFRTACQ-MHWRWJLKSA-N 431.311 3.627 0 40 IHAB CC(C)c1ccccc1NC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 409121164 WQQGABYJMBNTKE-UHFFFAOYSA-N 425.348 3.977 0 40 IHAB COC(=O)c1cc(NC(=O)c2c(C)c(C3CC3)nc3ccc(Br)cc23)nn1C 1132525976 YVRKOPAOZNIPQK-UHFFFAOYSA-N 443.301 3.956 0 40 IHAB Cc1nc(S(=O)(=O)NCc2ccc(Br)cc2F)sc1Br 1195772764 UHTQOYFBXFZUEP-UHFFFAOYSA-N 444.145 3.594 0 40 IHAB CC(=O)N1CC2=C(C1=O)[C@@H](c1cccc(Oc3ncccn3)c1)c1c[nH]c3cccc(c13)N2 1547139567 TWKWMXSSLMJGGW-NRFANRHFSA-N 437.459 3.950 0 40 IHAB biogenic NCCCOc1ccc2c(c1)Oc1cc(OCCCN)ccc1C21OC(=O)c2ccccc21 1775954141 PSOOKVGDKIXNGI-UHFFFAOYSA-N 446.503 3.710 0 40 IHAB COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCC(C)C)CC(=O)N32)c1 2100703 ZRMGYFFYBVKXNF-DHLKQENFSA-N 431.536 3.908 0 40 IHAB biogenic Nc1c(C(=O)NCc2ccc(Cl)cc2)c2nc3ccccc3nc2n1C[C@@H]1CCCO1 2253100 GDWXFLKHTHIMKT-INIZCTEOSA-N 435.915 3.929 0 40 IHAB COc1cc2c(cc1NC(=O)COC(=O)CNC(=O)C1CCCCC1)oc1ccccc12 2619975 JYPXZRGHAKAENH-UHFFFAOYSA-N 438.480 3.773 0 40 IHAB O=C(CSc1nnc(-c2ccncc2)n1Cc1ccccc1)NCCc1ccccc1 2620469 GOEWIWVBDZTLIU-UHFFFAOYSA-N 429.549 3.839 0 40 IHAB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1F)Nc1cc(F)ccc1F 2646432 QNFCSOBXSNVKTD-UHFFFAOYSA-N 434.439 3.934 0 40 IHAB O=C(Nc1ccccc1Cc1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 3304450 IEENXTIIWAGEBJ-UHFFFAOYSA-N 436.533 3.551 0 40 IHAB CC1CCN(S(=O)(=O)c2cc(C(=O)Nc3nccs3)ccc2Br)CC1 3379252 KPUSMOWOZXOSET-UHFFFAOYSA-N 444.376 3.579 0 40 IHAB COc1ccc(CN2C(=O)/C(=C\NCc3ccc4c(c3)OCO4)c3ccccc3C2=O)cc1 3425615 VKEGRIAKCGBTDR-HMAPJEAMSA-N 442.471 3.737 0 40 IHAB CC(C)(C)OC(=O)[C@H]1[C@@H](/C=C/c2ccccc2)[C@@H](C(=O)OC(C)(C)C)C(=O)C[C@]1(C)O 4936508 XPPRYOYKKOSLAZ-GCTOLOHVSA-N 430.541 3.956 0 40 IHAB CCOCCCNC(=S)N(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCCC1 6195303 NUMWRYLNXKNMAX-UHFFFAOYSA-N 445.585 3.693 0 40 IHAB CCc1ccc2occ(CC(=O)N(Cc3ccc(OC)cc3)[C@H]3CCS(=O)(=O)C3)c2c1 8869303 ZQSISQKELILCTQ-FQEVSTJZSA-N 441.549 3.762 0 40 IHAB O=C(COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)Nc1cccc(Cl)c1 9011549 JHSBXTHCTZIVKT-UHFFFAOYSA-N 438.823 3.525 0 40 IHAB COc1ccc(OC)c([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)NCc2ccccc2)c1 9159745 KCWWJCGIVTXAJS-DFCKQENNSA-N 438.568 3.688 0 40 IHAB C[C@@H](c1ccccc1)N1C[C@@H](C(=O)Nc2cc3c(cc2Br)OCCO3)CC1=O 9223411 FEVRTCBXMNDAFR-ZFWWWQNUSA-N 445.313 3.769 0 40 IHAB O=C(CCNS(=O)(=O)c1ccccc1Cl)N1CCC[C@H]1c1nc2ccccc2s1 9256456 UIKOLOTVRQHCCZ-INIZCTEOSA-N 449.985 3.982 0 40 IHAB COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccc(Br)cc2)cc1 9584300 MKYQULNZXALEBA-GOSISDBHSA-N 440.301 3.977 0 40 IHAB Cc1cc(C)c2sc(N(CCN(C)C)C(=O)c3cccc(S(C)(=O)=O)c3)nc2c1 9707977 NSJZTASYGFRTOB-UHFFFAOYSA-N 431.583 3.525 0 40 IHAB O=C(Nc1ccccc1)C1CCN(C(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)CC1 9712496 VDDRQHCCRFMDNT-VAWYXSNFSA-N 445.563 3.816 0 40 IHAB Fc1cccc(-n2c(SCc3nnc(-c4ccccc4)o3)nnc2N2CCOCC2)c1 9908833 ZWVLVMWPWCETPC-UHFFFAOYSA-N 438.488 3.585 0 40 IHAB C[C@@H]1CCc2ccccc2N1C(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O 9990370 ZQTSNEYNHCPXPY-WGDIFIGCSA-N 427.504 3.975 0 40 IHAB CC(C)(C)c1ccc(NC(=O)CNS(=O)(=O)c2ccccc2Br)cc1 10023974 JFAKSZOXTGZJGP-UHFFFAOYSA-N 425.348 3.664 0 40 IHAB CCOc1ccccc1CCCNC(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O 10110937 YGPWXNVLDYHBBX-UHFFFAOYSA-N 438.977 3.562 0 40 IHAB COc1cn(CC(=O)Nc2cccc(NC(C)=O)c2)c(CSc2ccccc2)cc1=O 10255049 YHSTWLMDZRFGPP-UHFFFAOYSA-N 437.521 3.746 0 40 IHAB O=C(CCc1ccc2c(c1)OCO2)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 10411738 VUNMYWJMRISMNY-UHFFFAOYSA-N 430.526 3.551 0 40 IHAB Cc1onc(-c2ccccc2)c1-c1nnc(COC(=O)[C@H]2Oc3ccccc3O[C@H]2C)o1 10954934 ZJERFRSTGPBPQH-QKKBWIMNSA-N 433.420 3.972 0 40 IHAB O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCCCOC1CCCCC1 11355916 ZNBHKWQYQDJLTQ-UHFFFAOYSA-N 436.618 3.649 0 40 IHAB CCSc1nnc(NC(=O)CCc2csc(NC(=O)c3cccs3)n2)s1 11835234 CBMMJVCPSAMCSJ-UHFFFAOYSA-N 425.586 3.992 0 40 IHAB CCOC(=O)C1CCN(c2ncc(-c3ccnc(N4CCCC4)n3)c(-c3ccco3)n2)CC1 12275286 RGAHSAWMUZGMPZ-UHFFFAOYSA-N 448.527 3.573 0 40 IHAB O=C(C[C@@H]1Sc2ccccc2NC1=O)OCC(=O)N1CCC(Cc2ccccc2)CC1 12425606 ARCXVUYEDDGZQT-NRFANRHFSA-N 438.549 3.514 0 40 IHAB Cc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@@H]2CCS(=O)(=O)C2)c(C)c1 12747659 WDVZTOJTZLZBEI-QGZVFWFLSA-N 438.553 3.846 0 40 IHAB O=C(Cn1cnc2scc(-c3ccc(Br)cc3)c2c1=O)NCc1ccco1 12777248 UTGZMJLDCSAMRC-UHFFFAOYSA-N 444.310 3.797 0 40 IHAB CCN([C@H](C)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1cccc(Br)c1 12817122 DXPCGQNITUCRGN-CQSZACIVSA-N 425.348 3.795 0 40 IHAB CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2nc(CN3CCOCC3)cs2)cc1 12850044 JYCYCEFNGVSYIT-UHFFFAOYSA-N 432.546 3.504 0 40 IHAB CCN(C(=O)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(C)C)[C@@H]1CCS(=O)(=O)C1 13030439 RWKHSDLJHBLYRL-CZUORRHYSA-N 440.915 3.831 0 40 IHAB O=C(NCc1ccccc1Cl)[C@@H]1CCCN1S(=O)(=O)c1ccccc1C(F)(F)F 13074861 FXENOZQUODGJDS-INIZCTEOSA-N 446.878 3.828 0 40 IHAB COc1ccccc1C(=O)Nc1nc(-c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)cs1 13084268 QNAQHANDKDGMJG-CYBMUJFWSA-N 443.550 3.782 0 40 IHAB COc1ccc(C(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)cc1Cn1cccn1 13566572 BGVMNLBCCSIHPH-QHCPKHFHSA-N 441.535 3.992 0 40 IHAB COC(=O)c1cccc(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccc(C)cc2)c1 13669202 HTGNLYYPTVQYPS-UHFFFAOYSA-N 438.505 3.859 0 40 IHAB O=C(c1cccs1)N1CCc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc21 13696218 KFGATWWQUPXZGZ-UHFFFAOYSA-N 442.518 3.523 0 40 IHAB C[C@H](Sc1nnc(-c2cccs2)n1N)C(=O)Nc1nc(-c2ccccc2)cs1 14093482 DWWGFSMWOXUMCL-NSHDSACASA-N 428.568 3.963 0 40 IHAB O=C(NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O)c1ccc2ncsc2c1 14244451 WPKKQTDCSYMGND-MFOYZWKCSA-N 427.482 3.902 0 40 IHAB COc1cc(C)cc(OC)c1OCC(=O)Nc1cccc(I)c1 14351259 FNAKMMYYOCITNE-UHFFFAOYSA-N 427.238 3.634 0 40 IHAB O=C(NCc1ccc(Cl)cc1Cl)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 15582766 KAJVDFWJAXRJFV-AWEZNQCLSA-N 445.343 3.850 0 40 IHAB CCOc1ccc(NC(=O)Cc2csc(NC(=O)c3cc(OC)cc(OC)c3)n2)cc1 15881039 JFQQPWXWDOVPNR-UHFFFAOYSA-N 441.509 3.993 0 40 IHAB CC[C@H](C)[C@@H](NC(=O)Cc1c(C)c2cc3c4c(oc3cc2oc1=O)CCCC4)C(=O)O 15953447 PNBQAVJEMKILAJ-AMXDTQDGSA-N 425.481 3.884 0 40 IHAB biogenic CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 16033627 IOPQGWWDHDCOJZ-IYWMVGAKSA-N 426.394 3.810 0 40 IHAB COc1ccc(CCNC(=O)C(=O)Nc2cc(Cl)c(Cl)c(Cl)c2)cc1OC 16227348 IZOQQAVABLVKAR-UHFFFAOYSA-N 431.703 3.961 0 40 IHAB COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)OC(=O)c1nn(-c2ccccc2)nc1C 17015671 JOAUKCDCJHUJLK-CQSZACIVSA-N 428.876 3.730 0 40 IHAB Cc1ccc(Nc2nc(NCCN3CCOCC3)nc3c2cnn3-c2ccccc2)cc1 17042493 IRIHGQLVSRPICU-UHFFFAOYSA-N 429.528 3.612 0 40 IHAB O=C([C@@H]1CC=CCC1)N1CCC(c2cc3nc4c(c(O)n3n2)CN(C2CCCC2)CC4)CC1 19292140 DDNVJNOCWXHDLT-LJQANCHMSA-N 449.599 3.798 0 40 IHAB Cc1noc(C)c1CCC(=O)N1CC[C@@](Cc2cccc(-c3cccs3)c2)(C(N)=O)C1 19580557 YBZYOAPBJHKAQO-DEOSSOPVSA-N 437.565 3.899 0 40 IHAB Cc1cc(Cc2ccc(F)cc2)cc(C2CCN(C(=O)[C@@H](C)CN3CCOCC3)CC2)n1 19691609 SHWJNSSJUUGMPY-IBGZPJMESA-N 439.575 3.794 0 40 IHAB O=C(COc1ccccc1F)Nc1cnn(CC(=O)Nc2cccc(C(F)(F)F)c2)c1 19746187 NEQBDUJXTSPQDI-UHFFFAOYSA-N 436.365 3.697 0 40 IHAB Nc1nc(C2CCN(C(=O)CCc3ccccc3)CC2)ccc1C(=O)NCc1ccccc1 19766279 OYTPVQGFAMPGBU-UHFFFAOYSA-N 442.563 3.933 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)N[C@H]2CCCc3ccccc32)CC1 20018233 QORQQJNCGUUQKF-NRFANRHFSA-N 442.581 3.598 0 40 IHAB COc1ccc(CNC(=O)CN2c3ccc(Cl)cc3-c3ccccc3S2(=O)=O)cc1 20063117 OXVCWXXMFJBUDJ-UHFFFAOYSA-N 442.924 3.841 0 40 IHAB Cc1cccc(-n2ccnc2SCc2cccc(S(=O)(=O)N3CCOCC3)c2)c1C 21479656 PMIXZPDMCSKBCL-UHFFFAOYSA-N 443.594 3.802 0 40 IHAB CCOc1ccc(C(=O)Nc2cccc(OCc3cc(=O)n4c(ncn4C(C)C)n3)c2)cc1 21796928 LIZZHVKCJFZMGQ-UHFFFAOYSA-N 447.495 3.702 0 40 IHAB CC(C)(C)NC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 22274285 HNGCUOVLXHUPNP-UHFFFAOYSA-N 425.348 3.559 0 40 IHAB CC[C@@H](NC(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O)c1ccc(C)cc1C 22338165 JPTIUIVWNOXWMW-LJQANCHMSA-N 438.977 3.999 0 40 IHAB Cc1cc(C)c(N(CC(=O)Nc2ccc(Br)cc2F)S(C)(=O)=O)c(C)c1 22393682 IQXSOXNBPWCREZ-UHFFFAOYSA-N 443.338 3.918 0 40 IHAB CCOc1ccccc1N1CCN(CC(=O)N[C@H](C)c2ccc(Br)cc2)CC1 24838357 JAMWUXGLHNUGHA-QGZVFWFLSA-N 446.389 3.847 0 40 IHAB O=C(Nc1ccc(C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)cc1)NC1CC1 25140075 PZADBMNVBUXYKA-UHFFFAOYSA-N 427.526 3.939 0 40 IHAB CN1CCN(C(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)[C@@H](c2ccccc2)C1 25541101 WMJRIGOSWBLEAV-HSZRJFAPSA-N 441.531 3.731 0 40 IHAB CSc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C)cc1C(=O)N1CCOCC1 26117302 KWXCCOKRTFBHLU-UHFFFAOYSA-N 440.974 3.644 0 40 IHAB Cc1c(C(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)cnn1-c1ccccc1 27029806 VLARXZOMMIMYAQ-UHFFFAOYSA-N 436.493 3.505 0 40 IHAB Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)N2CCCCC2)ccc1N1CCCC1=O 30863764 XHJCPYXELAUGPP-UHFFFAOYSA-N 441.553 3.549 0 40 IHAB COc1cc(OC)c(C2=CCN(C[C@H](O)COc3ccc(C)cc3C)CC2)c(OC)c1 32860411 CEAFUTWUMAMDHE-FQEVSTJZSA-N 427.541 3.858 0 40 IHAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCC[C@@H]3c3ccc(F)cc3)cc2)C[C@@H](C)O1 32901526 CBKATYDWOHSNHF-HYFFOGBASA-N 446.544 3.601 0 40 IHAB Cc1ccc(C)c(C(=O)[C@@H](C)OC(=O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)c1 35296302 LPVFWGDNQAMBAP-PNIPZHNDSA-N 428.529 3.555 0 40 IHAB Cc1nnc(NC(=O)c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)o2)s1 35597514 GNTWIGWPAIYVMD-UHFFFAOYSA-N 432.405 3.511 0 40 IHAB CCOc1c(Cl)cc(C(=O)N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1OC 36393461 RCXSUPGZHNFEPG-CYBMUJFWSA-N 425.934 3.984 0 40 IHAB CCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1 38771398 PKEKFKRIIQKDEP-UHFFFAOYSA-N 426.498 3.627 0 40 IHAB O=C(Nc1ccc(F)cc1)N1CCC(CNS(=O)(=O)c2ccc3c(c2)CCCC3)CC1 43962314 NPWFGXTXZJEUMY-UHFFFAOYSA-N 445.560 3.927 0 40 IHAB CN(C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O)C1CCCCC1 44900937 XMGKZDVDYLWVGZ-UHFFFAOYSA-N 426.888 3.916 0 40 IHAB COc1ccc([C@@H](NC(=O)CSc2ccc(C(=O)N3CCCC3)cn2)C(C)C)cc1 48313010 IQYKISCQHONAIG-QFIPXVFZSA-N 427.570 3.932 0 40 IHAB CCC(=O)Nc1ccc2c(c1)c(=O)n(-c1ccccc1)n2CC(=O)Nc1cccc(OC)c1 49400976 UGAMIIFQSLQPLZ-UHFFFAOYSA-N 444.491 3.788 0 40 IHAB CCCCNC(=O)CSc1nc2c(C)nn(CC)c2c(=O)n1Cc1ccc(Cl)cc1 65321346 NXTLDRVKOWWLQS-UHFFFAOYSA-N 447.992 3.631 0 40 IHAB CCn1cc(S(=O)(=O)N2CCC[C@@H](c3ccc(Nc4cccc(C)n4)cn3)C2)c(C)n1 72353401 XLGHAFZUEDTVEX-GOSISDBHSA-N 440.573 3.622 0 40 IHAB NC(=O)c1ccc(-c2cnc(N)nc2[C@H]2CCCCN2CCOc2ccc(F)cc2)cc1 72377106 CGJZKAMZDZVNJQ-OAQYLSRUSA-N 435.503 3.570 0 40 IHAB Fc1ccccc1OCCCN1CCC([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)CC1 72395712 YLOOXLQZXMKQDX-FUHWJXTLSA-N 427.446 3.886 0 40 IHAB COc1ccc(CC(=O)N2CC(c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)cc1OC 77099575 OWIHFSQDFMZLHH-UHFFFAOYSA-N 447.413 3.941 0 40 IHAB Cc1cc(C(=O)Nc2nc3c(s2)CN(C(=O)c2nc4ccccc4s2)CC3)no1 77196464 ISWVOYUPBPFZNZ-UHFFFAOYSA-N 425.495 3.500 0 40 IHAB Cc1nc(COc2cccc(C(=O)N3CC[C@H]4[C@H](CCC(=O)N4C4CC4)C3)c2)cs1 89712515 BJMAPECNEFCJMO-UTKZUKDTSA-N 425.554 3.646 0 40 IHAB CC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cc2nc(-c3cccnc3)no2)c1 96119625 KSPKQVSHKHVSIF-UHFFFAOYSA-N 434.477 3.726 0 40 IHAB Cn1cc(CNC[C@H]2Cn3c(-c4ccc5c(c4)OCCO5)cnc3CO2)c2ccccc21 96296445 SXNZTBGAECMWAR-IBGZPJMESA-N 430.508 3.502 0 40 IHAB biogenic,in-vitro CC[C@H](C)n1ncc2c(C(=O)Nc3ccc(CN4CCN(C(C)=O)CC4)cc3)cc(C)nc21 97037960 IMFBDUBBDILZSX-SFHVURJKSA-N 448.571 3.627 0 40 IHAB CSCCn1/c(=N/C(=O)c2ccc(Cl)s2)sc2cc(S(C)(=O)=O)ccc21 101119430 FRXDGBFYCYILMK-VLGSPTGOSA-N 447.028 3.925 0 40 IHAB Cc1ccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c(C)c1 102086406 FVJQOGODHOAVTE-SATZIVDQSA-N 440.543 3.906 0 40 IHAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CN1C(=O)[C@H]3CC=CC[C@@H]3C1=O)CC2 102477504 NRCYVMSGZMNVFQ-SKPFHBQLSA-N 432.520 3.560 0 40 IHAB COc1cc(N(CC(=O)Nc2c(C)cc(C)cc2C)S(C)(=O)=O)c(OC)cc1Cl 220056401 CLJAERIYMUMMIO-UHFFFAOYSA-N 440.949 3.687 0 40 IHAB C[C@H](C(=O)NCCSc1ccccc1)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 220192454 XCDBIGFIOHOADZ-CQSZACIVSA-N 446.516 3.768 0 40 IHAB CC[C@@H](NC(=O)CN(c1cccc(OC)c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 223037729 LXKNKHWIKDFYPK-JOCHJYFZSA-N 430.570 3.608 0 40 IHAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)OC(C)C)ccc2NC[C@H]2CCCO2)cc1 223422318 QQLUQNCEOURFTQ-LJQANCHMSA-N 432.542 3.952 0 40 IHAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc2c(c1)OCCO2 223766800 VOXVVLDJNFLYAG-INIZCTEOSA-N 430.932 3.597 0 40 IHAB CCOc1ccc(C(=O)N2CCCCCC2)cc1CN(C)S(=O)(=O)c1ccccc1 224816150 NCJTXIKQYYDDNW-UHFFFAOYSA-N 430.570 3.922 0 40 IHAB Cc1ccc(OCCNC(=O)CCCN(c2c(C)cc(C)cc2C)S(C)(=O)=O)c(C)c1 224824319 XSBGGFNHISSIOT-UHFFFAOYSA-N 446.613 3.970 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCCOc1ccccc1)c1c(Cl)cccc1Cl 224927657 ZRZSVCDOADNELV-UHFFFAOYSA-N 445.368 3.735 0 40 IHAB CCOc1ccc(N(CCCC(=O)Nc2ccc(N3CCCC3)cc2)S(C)(=O)=O)cc1 224932938 OJPKHQWJDMRXOI-UHFFFAOYSA-N 445.585 3.870 0 40 IHAB CCn1c(=O)sc2cc(NS(=O)(=O)c3ccc(OC)c(Br)c3)ccc21 225092172 WWEYKLAYSWFWGG-UHFFFAOYSA-N 443.344 3.655 0 40 IHAB COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(C)n1C 225663420 CZFPDBXEKNWGEZ-DHIUTWEWSA-N 449.580 3.738 0 40 IHAB COc1ccc([C@H](C)NC(=O)C2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)cc1 225925080 WJTKCHUXRPHCBS-SFHVURJKSA-N 430.570 3.590 0 40 IHAB CCOc1ncc([C@]2(O)CCC[C@@H]3CN(Cc4ccc(F)c(F)c4)C[C@H]32)c(OCC)n1 253381018 CJBITCUMRHTKEM-JTUHZDRVSA-N 433.499 3.672 0 40 IHAB CCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(CN5CCOCC5)c4)OCC[C@@]31C2 257260805 LELKAZUHWYAGNC-IRAZMCGKSA-N 426.601 3.927 0 40 IHAB COc1ccc(OC)c(C(=O)N2CCNC(=O)[C@@H]2Cc2ccccc2-c2ccc(F)cc2)c1 257330460 XONPVXKYNZWHCZ-QHCPKHFHSA-N 448.494 3.693 0 40 IHAB CCCc1nc(S/C(=C\c2cc(Br)c(OC)c(OC)c2)C(=O)O)n[nH]1 408630713 CEVRNXYCWNYTOX-WQLSENKSSA-N 428.308 3.755 0 40 IHAB CCCCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(F)cc3)CC2=O)cc1 408637154 GEDUJYARNUUYMN-GOSISDBHSA-N 441.455 3.562 0 40 IHAB COc1ccc(Cl)cc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 408651816 BGUYYUAMASOKNH-HNNXBMFYSA-N 430.888 3.500 0 40 IHAB CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc4c(c3)OCO4)c2)CC1 408703272 QMPDAGYKHJOXHI-UHFFFAOYSA-N 436.917 3.742 0 40 IHAB Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)[C@H]2COc3ccccc3O2)cc1 408920383 FMLAKPZPPOJLRB-OAQYLSRUSA-N 438.505 3.883 0 40 IHAB CC1(C)C(=O)N(C[C@@](C)(O)C(=O)N2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)c2ccccc21 504139323 YOUPJSNQVRWDAP-LGVUCKNBSA-N 430.548 3.909 0 40 IHAB CC(C)c1nnc2ccc(SCC(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)nn12 524735159 ALFVPOBMPUTKNB-UHFFFAOYSA-N 445.976 3.503 0 40 IHAB C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)c1cncc(C(=O)N[C@H]2c3ccccc3O[C@@H]2C)c1 564685685 MDGWHMVIQMDVTB-QPQFQMEPSA-N 429.476 3.586 0 40 IHAB Cn1c(CCCCCN2C(=O)[C@@H](C(N)=O)[C@H]3C[C@@]2(C)Oc2ccccc23)nc2ccccc21 604418800 DNSNZEVGJYLCMO-YPAAYVHUSA-N 446.551 3.512 0 40 IHAB O=C(CS(=O)(=O)Cc1ccc(Cl)s1)N1CC[C@H](OCCCc2ccccc2)C1 674518203 ZWVGRSXQFNVCFP-KRWDZBQOSA-N 442.002 3.567 0 40 IHAB CN1C[C@@H](C(=O)N2CCC(c3nnc(-c4ccccc4)o3)CC2)[C@@H]2COc3ccccc3[C@@H]21 1772595883 QNUZJNNTGKVRJJ-GIWBLDEGSA-N 444.535 3.754 0 40 IHAB CCCNC(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@@]21C 1889002139 SPLJIHBLZKCRKF-AXNFQITCSA-N 449.676 3.890 0 40 IHAB CCc1ccc([C@H]2[C@@H](C(=O)OCC(C)C)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OCC(C)C)cc1 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COc1cc(/C=C/C(=O)OCc2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)ccc1O 3284383 ROFRSXFLUVPNPK-ZCRIDZFUSA-N 426.494 3.580 0 40 IHAB COc1ccc([C@H]2[C@H](C(=O)OCC(C)=O)CCC(=O)N2c2ccc(C)cc2)cc1OC 3368202 WUUMIRJQUIKVGI-XXBNENTESA-N 425.481 3.629 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)Cc2ccccc2)c1 6123238 DJPHFDLJYNMFQW-UHFFFAOYSA-N 429.586 3.889 0 40 IHAB Cc1ccc2cc([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CCCC3)c(=O)[nH]c2c1C 6442356 FIYDYXZSGBURPJ-QFIPXVFZSA-N 432.503 3.504 0 40 IHAB COc1ccc2c(COC(=O)[C@@H]3CC(=O)N([C@@H]4CCC[C@H](C)[C@H]4C)C3)cc(=O)oc2c1 7331869 MBKIVMRPBMBQRT-QCBUCWTNSA-N 427.497 3.518 0 40 IHAB C[C@H](NC(=O)CSc1nnc(C2CC2)n1-c1ccccc1)c1ccc2c(c1)OCCO2 8965800 XQTUEIUCHCMEFQ-HNNXBMFYSA-N 436.537 3.885 0 40 IHAB O=C(CSc1nc(O)cc(=O)n1-c1ccc(Cl)c(Cl)c1)N1CCc2ccccc21 9120019 JUFIUJCDGWAXSO-UHFFFAOYSA-N 448.331 3.926 0 40 IHAB CCc1nnc2n1N[C@H](c1ccc(OC)cc1)[C@H](C(=O)Nc1ccccc1Cl)S2 9197211 FZHAKYCOUQIITQ-QZTJIDSGSA-N 429.933 3.900 0 40 IHAB CCc1ccc(N2C[C@H](c3nnc(NC(=O)c4ccc(NC(C)=O)cc4)s3)CC2=O)cc1 9198097 IGZAJONCHJEZOL-QGZVFWFLSA-N 449.536 3.832 0 40 IHAB CN(C(=O)COC(=O)COc1ccccc1F)[C@@]1(c2ccccc2Cl)CCCCC1=O 9223980 OPCRBFBUDMKNSY-HSZRJFAPSA-N 447.890 3.898 0 40 IHAB Cc1ccc(C(=O)C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC(C)C)cc1 9256354 ZWBMEIYIFDEDIB-UHFFFAOYSA-N 444.553 3.778 0 40 IHAB CN(C)S(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)cc1 9337168 BWYSGOAHSBTVJB-QFIPXVFZSA-N 448.548 3.527 0 40 IHAB COC(=O)c1ccc(NC(=O)CSc2ccc3nnc(-c4ccc(C)cc4)n3n2)cc1 9415102 ZVGHBUPIOYWWHV-UHFFFAOYSA-N 433.493 3.617 0 40 IHAB COc1ccc(CCNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1 9512601 PXBSTMWAUFUGCZ-UHFFFAOYSA-N 433.533 3.801 0 40 IHAB COc1ccc(NC(=O)c2ccccc2NC(=O)CSc2nnc(C)n2C2CC2)cc1 9578462 IQWAXRYFOMGPRO-UHFFFAOYSA-N 437.525 3.913 0 40 IHAB O=C(CSc1ccc2nnc(-c3cccnc3)n2n1)Nc1ccc(Br)cc1 9599815 WHDBEAKHJCPMLP-UHFFFAOYSA-N 441.314 3.680 0 40 IHAB Cc1cc(C)cc(NS(=O)(=O)c2ccc(OCC(=O)NCCc3ccccc3)cc2)c1 9668638 PDUKCZQNMAIHLR-UHFFFAOYSA-N 438.549 3.842 0 40 IHAB O=C(CSc1nnc(C2CC2)n1-c1ccccc1)Nc1ccccc1C(=O)NC1CC1 9766835 AHNMHBBCGOJFBR-UHFFFAOYSA-N 433.537 3.768 0 40 IHAB CN(C)[C@@H](CNC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccco1 9813022 HBIVYBAFBGUMTN-INIZCTEOSA-N 444.885 3.982 0 40 IHAB CCn1c(=O)c(C)nc2cc(C(=O)Nc3ccc(-c4nnc5n4CCCCC5)cc3)ccc21 9813499 AFWVPMIEZYBHDU-UHFFFAOYSA-N 442.523 3.962 0 40 IHAB Cc1csc(=O)n1CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)c1c[nH]c2ccccc12 9871972 UJBCKAQMFZNNRI-FQEVSTJZSA-N 434.565 3.714 0 40 IHAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)CSc2nnc3n2CCCCC3)cc1 9884419 BNRJBFWZSLEFLQ-UHFFFAOYSA-N 449.580 3.974 0 40 IHAB CCOC(=O)c1ccc(N2CCN(CC)CC2)c(NC(=O)c2cc(Cl)ccc2OC)c1 9908031 JWHUOWLIZYLIMD-UHFFFAOYSA-N 445.947 3.920 0 40 IHAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(c3ccccc3)C3CCCCC3)C2=O)cc1 9963886 BCHYNQNVNSTCPZ-RUZDIDTESA-N 435.524 3.828 0 40 IHAB O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)CSc2nc3ccccc3o2)CC1 9990611 VTDPJXGSDIGVQD-UHFFFAOYSA-N 438.505 3.813 0 40 IHAB O=C(CSc1nnc(-c2ccco2)o1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 10028517 RFIFKUUCTYHGKY-UHFFFAOYSA-N 436.375 3.660 0 40 IHAB Cc1ccn(C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)/c(=N/C2CCCCC2)c1 10799634 NNIGIQDSJOUPKM-BSYVCWPDSA-N 447.626 3.833 0 40 IHAB O=C([C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)N1CC=C(c2c[nH]c3ccccc23)CC1 11073393 JEFMWKDQQLYKMP-SFHVURJKSA-N 443.503 3.608 0 40 IHAB Cc1cc(=O)n2c(-c3ccc(NC(=O)[C@@H](C)Oc4ccc5c(c4)OCO5)cc3)csc2n1 11770693 FLJUAYBWKDDLAY-CQSZACIVSA-N 449.488 3.866 0 40 IHAB CCOc1ccc(N2C[C@H](NC(=O)Nc3ccc(Br)cc3F)CC2=O)cc1 12180210 OSSMQXZWIWSJJH-CYBMUJFWSA-N 436.281 3.914 0 40 IHAB C[C@@H]1C[C@@H](C)CN([C@@H]2CC(=O)N(c3ccc(Br)cc3Br)C2=O)C1 12417523 RCXIBGQGEIVURL-UEKVPHQBSA-N 444.167 3.821 0 40 IHAB COCCn1c(SCC(=O)Nc2ccc(C)cc2C)nc2sc3c(c2c1=O)CCC3 12710774 BYRVMNBTPSPGRG-UHFFFAOYSA-N 443.594 3.941 0 40 IHAB CC(=O)N(c1ccc(C)c(C)c1)c1nc(COC(=O)c2nc3nccc(C)n3n2)cs1 12778891 QTLKBRQPUJDLNV-UHFFFAOYSA-N 436.497 3.548 0 40 IHAB C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CCC(C(=O)NCc2ccccc2)CC1 12783458 ZTFRHLNKVFMZSM-INIZCTEOSA-N 444.373 3.805 0 40 IHAB CCOCCCNC(=O)Cn1c(C(=O)OC(C)C)cc2c1ccn2-c1ccc(F)cc1 13565033 NVXSHMOYFWEDOL-UHFFFAOYSA-N 429.492 3.679 0 40 IHAB COc1ccc(C(=O)CN2C(=O)N[C@](Cc3ccccc3)(c3ccccc3)C2=O)cc1F 14129525 YRQRBVWHRZONKN-RUZDIDTESA-N 432.451 3.707 0 40 IHAB COc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCN3[C@@]23C(=O)Nc2c(C)cc(Cl)cc23)cc1 15972858 NXXMKOFORGUWMC-BTCOZLQPSA-N 425.916 3.927 0 40 IHAB O=C(COc1ccc(Br)cc1)NC(=S)Nc1ccc(Cl)cc1C(=O)O 16428788 VGXYFBOBBUDFQU-UHFFFAOYSA-N 443.706 3.693 0 40 IHAB COc1ccc(CNC(=O)Cn2c(C)cc(C)c(-c3nc(-c4ccccc4)no3)c2=O)cc1 16840336 RDOFFKSUYNFKOW-UHFFFAOYSA-N 444.491 3.507 0 40 IHAB COC(=O)c1ccccc1NC(=O)CSc1nccn2nc(-c3ccccc3OC)cc12 16842089 CRPCEEZJYHWERG-UHFFFAOYSA-N 448.504 3.922 0 40 IHAB Cc1cc(C(=O)NCc2ccc(-c3n[nH]cc3C(=O)N(C)Cc3ccccc3)cc2)on1 19120066 DCQUZAKSVOUNRW-UHFFFAOYSA-N 429.480 3.575 0 40 IHAB CC(C)NC(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)[C@@H]2CCCO2)C1 19449177 PXQROFUBNLVRQE-URXFXBBRSA-N 426.582 3.880 0 40 IHAB COc1ccc(CN2CCCC[C@H]2c2cc(O)nc(-c3ccncc3)n2)c(OC)c1OC 19552772 LFEGLICVOBXTLC-IBGZPJMESA-N 436.512 3.997 0 40 IHAB COc1ccc(CC(=O)NCCn2cc(-c3ccc(F)cc3)c(-c3nccn3C)n2)cc1C 19571263 IHOHTOGOXXYZJB-UHFFFAOYSA-N 447.514 3.766 0 40 IHAB COc1ccccc1CNc1n[nH]c2nc([C@@H]3CCN(C(=O)c4scnc4C)C3)ccc12 19705110 UKLWFTTTYJKRGW-MRXNPFEDSA-N 448.552 3.973 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(F)cc1 20006970 ZZLOROLRANRYCN-FQEVSTJZSA-N 442.512 3.671 0 40 IHAB O=C(c1cccc(Oc2ccccc2)c1)N1CCN(S(=O)(=O)c2cccs2)CC1 20447940 KPRNVNNJXSUUIY-UHFFFAOYSA-N 428.535 3.687 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1cc(C)ccc1F)n2C 21054001 DOHZARXJCMXSFJ-UHFFFAOYSA-N 446.548 3.623 0 40 IHAB C[C@H](OC(=O)c1cn(C)nc1-c1ccc2c(c1)OCCCO2)C(=O)Nc1ccccc1F 21414693 YEZPMZLTOYPDRF-AWEZNQCLSA-N 439.443 3.572 0 40 IHAB COc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3ccco3)c(C)c2)c(OC)c1 21595683 ZXSZJCYHRCEZSA-UHFFFAOYSA-N 439.493 3.984 0 40 IHAB CCOC(=O)[C@H]1CCCN(c2c(S(=O)(=O)c3ccccc3)cnc3ccc(F)cc23)C1 22574046 DLEPZQHVFSCIOI-INIZCTEOSA-N 442.512 3.986 0 40 IHAB COc1ccc(Cl)cc1NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cccs1 22732481 MLGDGCUKWURJEZ-AWEZNQCLSA-N 428.963 3.982 0 40 IHAB CNc1nn(CC(=O)Nc2c(C)cccc2C)c(N)c1-c1nc(-c2ccccc2C)no1 23125400 BZVFVGDVFLQBRC-UHFFFAOYSA-N 431.500 3.788 0 40 IHAB O=C(Cn1nc2c(c1NC(=O)c1ccc(Cl)cc1)CSC2)NCc1ccccc1 23139497 JFTGUVQANWIZKY-UHFFFAOYSA-N 426.929 3.852 0 40 IHAB COc1cc(OC)c(OC)cc1CNC(=O)NCc1ccc(OCC(F)(F)F)cc1 23392614 GEIAINUIMRIDPT-UHFFFAOYSA-N 428.407 3.653 0 40 IHAB O=C(/C=C/c1ccc2c(c1)OCCCO2)N1CCN(Cc2nc3ccccc3s2)CC1 23882478 PJKFYUNBIBRBFA-VQHVLOKHSA-N 435.549 3.815 0 40 IHAB CCc1nc(SCC(=O)Nc2sccc2C(N)=O)nc(N)c1-c1ccc(Cl)cc1 24989587 ZVPSIOLJJMSASN-UHFFFAOYSA-N 447.973 3.833 0 40 IHAB CN(C)S(=O)(=O)c1ccc(OCC(=O)Nc2cccc(Cl)c2Cl)c(Cl)c1 28207945 HRXKMHSEIVNUED-UHFFFAOYSA-N 437.732 3.915 0 40 IHAB O=C(CNc1cc(Cl)ccc1Oc1ccccc1)NN1C(=O)NC2(CCCCC2)C1=O 28658763 WMTWENOYDCZKKA-UHFFFAOYSA-N 442.903 3.830 0 40 IHAB O=C(NCc1ccc(N2CCOCC2)nc1)c1ccccc1SCc1cscn1 32908209 BYQTWUFUQNZETA-UHFFFAOYSA-N 426.567 3.597 0 40 IHAB CC(C)n1ncc2cc(NC(=O)[C@@H]3CCN(c4cccc(OC(F)(F)F)c4)C3=O)cnc21 32915823 BLZOMTKXPIYASC-KRWDZBQOSA-N 447.417 3.902 0 40 IHAB CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 32964065 IDIMPFVRYQYDDA-AWEZNQCLSA-N 427.526 3.619 0 40 IHAB O=C(c1ccc(C2SCCS2)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 33005193 LRLPJLRZVJFUDF-UHFFFAOYSA-N 428.579 3.852 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)COc1ccc(C(C)C)cc1 38772880 LZYNERGTKONKCP-UHFFFAOYSA-N 432.542 3.621 0 40 IHAB COc1ccc([C@H]2CCCN2C(=O)c2nn(-c3ccccc3F)c(C)cc2=O)cc1OC 40039794 JPQNBJJNBDUDLB-GOSISDBHSA-N 437.471 3.675 0 40 IHAB Cc1ccc(C)c(NC(=O)CN2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)c1 40149602 QLGWAPUBAPOOOM-MRXNPFEDSA-N 445.361 3.750 0 40 IHAB Cc1oncc1C(=O)Nc1cccc(NS(=O)(=O)c2cccc(Br)c2)c1 40155203 CTEQESOFLUDWLS-UHFFFAOYSA-N 436.287 3.799 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCCCC2)Cc2ccco2)cc1 40159330 QWOHYBLLCMBNGY-UHFFFAOYSA-N 434.558 3.708 0 40 IHAB CCN1c2ccc(C(=O)Nc3ccccc3C(=O)OC)cc2-c2ccccc2S1(=O)=O 64762070 NNYJZTBPZPWIJN-UHFFFAOYSA-N 436.489 3.921 0 40 IHAB CCCCOc1ccc(-c2cc3c4nn(Cc5c(C)noc5C)c(=O)n4ccn3n2)cc1 67260528 AIFFRMQIGHQXNX-UHFFFAOYSA-N 432.484 3.643 0 40 IHAB Cc1ccc([C@@H](C)NC(=O)Cn2nc3c(Sc4ccc(C)cc4C)nccn3c2=O)cc1 67319622 MPQJMZRNNOTNLS-GOSISDBHSA-N 447.564 3.845 0 40 IHAB COc1cc(CC(=O)N2CCC[C@@H](c3ncncc3-c3ccncc3)C2)cc(OC)c1OC 72334699 OSZHFFSTJWAHNZ-LJQANCHMSA-N 448.523 3.513 0 40 IHAB Cc1cc(-c2cnc(N3CCC(C)CC3)nc2C2CCN(C(=O)[C@@H]3CCCO3)CC2)on1 72335876 ZFSXYHCANMLVSI-FQEVSTJZSA-N 439.560 3.561 0 40 IHAB Cc1nc(C)n(C[C@H](C)C(=O)NC2CCN(CC3(c4ccccc4F)CCCC3)CC2)n1 72393499 ZCKDKMMEUZTKEZ-SFHVURJKSA-N 441.595 3.763 0 40 IHAB CCOC(=O)C1(Cc2cc(-c3ccc(F)cc3)no2)CCN(C(=O)c2ccccn2)CC1 72393993 XAOYVDDNUWJHOK-UHFFFAOYSA-N 437.471 3.904 0 40 IHAB COC(=O)c1ccccc1NC(=O)c1ccc(N2CCC(Cc3ccccc3)CC2)nn1 77099922 NFLYDBHBXUEXRY-UHFFFAOYSA-N 430.508 3.975 0 40 IHAB CCCCCC(=O)OC1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 78822637 SBHFNPPDKYJESZ-UHFFFAOYSA-N 446.407 3.811 0 40 IHAB C[C@H](Cc1nc2ccccc2s1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 79023344 HHRAQVJXNGUSAM-MRXNPFEDSA-N 433.574 3.763 0 40 IHAB Cc1ccc(Br)cc1S(=O)(=O)Nc1cccc(C(=O)CCC(=O)O)c1 79054848 AWJCIZJUKZQQTA-UHFFFAOYSA-N 426.288 3.606 0 40 IHAB COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccn3cncc3c2)ccc1C 84190143 PSXLNJSBXDNGET-UHFFFAOYSA-N 436.493 3.704 0 40 IHAB Cc1cc(C)cc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)C(=O)c2ccccc2)c1 100396768 RFLOBBOLLYLZCN-SJUWYAIISA-N 426.516 3.961 0 40 IHAB Cc1ccc(C)c(C(=O)COC(=O)c2ccccc2N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1 101154368 VIFFUYWQLKQEFA-DODAUVCRSA-N 429.472 3.655 0 40 IHAB O=C1[C@H](Cc2nc3ccccc3c(=O)n2CCCO)c2ccccc2N1Cc1ccccc1 101400051 YXIFIVNPUXODPC-JOCHJYFZSA-N 439.515 3.652 0 40 IHAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)NCc1ccc(-c2ccc(Br)cc2)o1 102622003 GTAIDFGUQCFWCY-CALCHBBNSA-N 445.313 3.501 0 40 IHAB CCC[C@H](C)NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1cc(C)ccc1OC 107583404 BHKJRSZIWMFVME-KRWDZBQOSA-N 434.558 3.512 0 40 IHAB CC[C@@H](C(=O)NCc1cccc(OC(C)C)c1)N(c1ccc(Cl)cc1)S(C)(=O)=O 113950176 YIJPATQJQGJVNT-FQEVSTJZSA-N 438.977 3.988 0 40 IHAB CCOC(=O)c1cccc(NC(=O)CN2c3ccccc3-c3ccccc3S2(=O)=O)c1 219154727 HYKGKGNEBXIGDF-UHFFFAOYSA-N 436.489 3.678 0 40 IHAB COc1ccc2c(c1)[C@@H](NC(=O)CCCN(C)S(=O)(=O)c1ccccc1)CC(C)(C)O2 219727524 UWZPWZFDFCIAFA-FQEVSTJZSA-N 446.569 3.515 0 40 IHAB COc1ccc([C@@H](C)NC(=O)c2ccc(OC)c(S(=O)(=O)NC3CCCCC3)c2)cc1 223040996 HCFWRNZVQZJWSP-MRXNPFEDSA-N 446.569 3.806 0 40 IHAB Cc1ccccc1OCCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 223504574 JHJKYFLFWWQUKZ-UHFFFAOYSA-N 442.512 3.525 0 40 IHAB CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(C(C)(C)C)cc1 224038877 VUULIALYSBDFDV-SFHVURJKSA-N 426.557 3.925 0 40 IHAB COc1ccc(S(=O)(=O)Nc2cc(C(=O)NCCCc3ccco3)ccc2C)cc1 224062950 CILMNJRUAQOHLE-UHFFFAOYSA-N 428.510 3.760 0 40 IHAB Cc1ccc(OCCNC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)cc1Cl 224180788 VDJRDWMYYOMVEI-UHFFFAOYSA-N 431.341 3.506 0 40 IHAB CCc1ccc(OCCNC(=O)[C@@H](CC)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1 224301880 FIDGQCQJWAVWAS-HXUWFJFHSA-N 438.977 3.642 0 40 IHAB CCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(OC)c(OC)c1 224547784 UJHHVJMCELJMDY-OAQYLSRUSA-N 442.556 3.589 0 40 IHAB COC(=O)c1cc(S(=O)(=O)NCc2ccccc2CN2CCCCC2)ccc1Cl 224850459 MYEGMBHWEUGRDO-UHFFFAOYSA-N 436.961 3.591 0 40 IHAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(OC)cc1 224910406 OYXZPQKYLKCDGJ-QHCPKHFHSA-N 442.556 3.662 0 40 IHAB O=C(COc1ccc(Cl)cc1Cl)NC1CCN(c2cc3c(nn2)CCCC3)CC1 225793905 ALAXNBNAIMNGDI-UHFFFAOYSA-N 435.355 3.826 0 40 IHAB CCc1cc(C(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(=O)N3CCCCC3)C2)on1 257316490 VFVUCPYYWZOMTB-RXVVDRJESA-N 425.529 3.549 0 40 IHAB Cc1ccc(N2C[C@@H](C(=O)Oc3cccc(N4C(=O)c5ccccc5C4=O)c3)CC2=O)cc1 408639385 FYQNVSVGFGTPFM-KRWDZBQOSA-N 440.455 3.754 0 40 IHAB O=C(Oc1ccc(N2C(=O)c3ccccc3C2=O)cc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 408641800 NBHIUEIIWFVCSK-HNNXBMFYSA-N 444.418 3.585 0 40 IHAB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc4c(cc3Cl)OCO4)C2=O)cc1 409241404 XGPDDKDBDAZMCW-REZTVBANSA-N 446.868 3.752 0 40 IHAB Cc1cc(C)c(C)c(O[C@H]2CN(Cc3ccc(OCCn4ccnc4C)cc3)C[C@@H]2O)c1 585268819 KWZQEHVJAZOZRI-AHWVRZQESA-N 435.568 3.820 0 40 IHAB CCOc1ccccc1OC[C@@H](O)CN(C)Cc1cccc(OCCN2CCCCC2)c1 585270648 AKURVLJRGGRXEI-QHCPKHFHSA-N 442.600 3.822 0 40 IHAB COCC(=O)N1CCCN(C(C)C)CCN(C(=O)CCC2CCC2)Cc2ccccc21 643587760 MZLREPPGMYEXBA-UHFFFAOYSA-N 429.605 3.689 0 40 IHAB C=CC(=O)N1CCC(C(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)(c2ccccc2)CC1 1569497175 UBUPRPARIYEBDS-QFIPXVFZSA-N 438.955 3.986 0 40 IHAB CO[C@@H]1CCCN2C(=O)c3cccc(c3)OCCN(Cc3ccc(F)cn3)CCCC[C@H]12 2037980600 AJKCAYJNWCHPSR-DNQXCXABSA-N 441.547 3.905 0 40 IHAB CCOc1ccc(OCC)c(NC(=O)CSc2nnc(COc3ccccc3)n2C)c1 933563 OBAWORVXXFCENT-UHFFFAOYSA-N 442.541 3.922 0 40 IHAB Cc1ccc2c(c1)cc(CN(C(=S)NC[C@@H]1CCCO1)C1CCCCC1)c1nnnn12 1346568 PALNRACKUORWKA-FQEVSTJZSA-N 438.601 3.774 0 40 IHAB COc1ccc(CC(=O)Nc2nc(-c3ccc4c(c3)CCN4C(C)=O)cs2)cc1OC 1365575 GNIRFLGNZAQYON-UHFFFAOYSA-N 437.521 3.918 0 40 IHAB Cc1c(CC(=O)N[C@@H](CC(C)C)C(=O)O)c(=O)oc2cc3oc4c(c3cc12)CCCC4 2103623 HVDUNLFCBBPVDC-SFHVURJKSA-N 425.481 3.884 0 40 IHAB biogenic CSc1nc2sc3c(c2c2nnc(SCC(=O)Nc4nccs4)n12)CCC3 2393695 UJGYNTDQJGDPSM-UHFFFAOYSA-N 434.597 3.737 0 40 IHAB C[C@H](NC(=O)CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O)c1ccccc1 2649667 BPVNUGGHFHDKNR-AFMDSPMNSA-N 427.504 3.554 0 40 IHAB COc1ccc(C(=O)N[C@H](NC(=S)Nc2ccccc2O)C(Cl)(Cl)Cl)cc1 3039775 NBOKTFIRWLENAK-OAHLLOKOSA-N 448.759 3.814 0 40 IHAB CCn1c(SCC(=O)OCC(=O)Nc2cccc(C(C)=O)c2)nnc1-c1cccs1 3377739 VYPOMMYROGVLCB-UHFFFAOYSA-N 444.538 3.503 0 40 IHAB Cc1ccc(-c2nc(COC(=O)[C@@H]3Cc4ccccc4CN3S(C)(=O)=O)cs2)cc1 3435693 VFKUMDIWDWNXKE-FQEVSTJZSA-N 442.562 3.548 0 40 IHAB O=C(c1cnccn1)N1C[C@@H]2C[C@H](C1)c1ccc(/C=C/c3ccc(Cl)cc3)c(=O)n1C2 4237254 XEVSLQCHPGSBBK-LOXCNFCFSA-N 432.911 3.722 0 40 IHAB biogenic,in-vitro C[C@@H](C(=O)Nc1cccc2ccccc12)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1 8708419 GETGDXZMGOIFRW-IBGZPJMESA-N 446.551 3.574 0 40 IHAB CCNC(=O)N1CCc2c([nH]c3ccccc23)[C@]12C(=O)Nc1ccc(Br)cc12 8876580 JBKCNXCQENYSKV-OAQYLSRUSA-N 439.313 3.714 0 40 IHAB biogenic Cc1cc(C)c(NC(=O)CNC(=O)COc2ccccc2C(=O)Nc2ccccc2)c(C)c1 9052827 OSJYEGZUFMRNIM-UHFFFAOYSA-N 445.519 3.998 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)C1CCC(C(C)(C)C)CC1 9096888 HNFUHKJAJQAYPC-UHFFFAOYSA-N 438.590 3.580 0 40 IHAB COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN(C)C)[C@@H]3c1cccc(Cl)c1 9348658 GEZFZWRRYYDGDJ-HXUWFJFHSA-N 426.900 3.952 0 40 IHAB O=C(NCCC(=O)N1CCN(c2cccc(Cl)c2)CC1)NC12CC3CC(CC(C3)C1)C2 9492473 LUHWMDBLWRAKNM-UHFFFAOYSA-N 445.007 3.647 0 40 IHAB O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1cccc(-c2nnc3n2CCCCC3)c1 9666371 QOLFECVLVKDBCU-UHFFFAOYSA-N 442.516 3.613 0 40 IHAB C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 9709233 XMUZXGRKDPSACT-GFCCVEGCSA-N 428.290 3.844 0 40 IHAB CCn1c(S[C@@H](C)c2ccccc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 9792784 TUICPARWHYMZLN-INIZCTEOSA-N 431.583 3.930 0 40 IHAB Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)OCC(=O)c1ccc2c(c1)OCO2 9963820 YQSLIDXSROTBSU-UHFFFAOYSA-N 426.856 3.970 0 40 IHAB COc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)c(OC)cc1Cl 11613866 RTPGHJOHWJAQMO-UHFFFAOYSA-N 445.368 3.830 0 40 IHAB Cc1oc2cc(OCC(=O)NCCCC(=O)O)ccc2c(=O)c1-c1ccc(Cl)cc1 11866044 UVMGWVQDJRURTE-UHFFFAOYSA-N 429.856 3.782 0 40 IHAB O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2oc3ccccc3c21)Nc1ccc(F)cc1 12140719 LCJJHCXDTMWIOM-UHFFFAOYSA-N 429.407 3.676 0 40 IHAB COc1ccccc1N1CCN(c2ncc(-c3cnccn3)c(-c3ccoc3C)n2)CC1 12222843 MZPLLCLNGCGUGT-UHFFFAOYSA-N 428.496 3.837 0 40 IHAB Cc1ccc(Oc2cc(N3CCN(S(=O)(=O)c4cccc(C)c4)CC3)nc(C)n2)cc1 12225124 SSAXPDKMHCWKAF-UHFFFAOYSA-N 438.553 3.705 0 40 IHAB CC(=O)c1ccc(N2CCN(C(=O)C3CCN(c4nc5ccccc5o4)CC3)CC2)cc1 12526907 KEPMKBOOLVSYBY-UHFFFAOYSA-N 432.524 3.596 0 40 IHAB O=c1c2cc(Cl)ccc2nc(SCc2nnnn2C2CC2)n1-c1ccc(F)cc1F 12737606 VMVZEKUMFKZAQX-UHFFFAOYSA-N 446.870 3.931 0 40 IHAB CC[C@@H](Oc1ccccc1)C(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 12767338 CQXVAOLRWIZISK-HXUWFJFHSA-N 449.473 3.646 0 40 IHAB CCC(C)(C)NC(=O)[C@@H](c1ccccn1)N(C(=O)c1csnn1)c1ccccc1F 12869992 CSSVFGDRDZYUIN-GOSISDBHSA-N 427.505 3.765 0 40 IHAB Cc1cc(C)cc(NC(=O)CN2C(=O)C(C)(C)Oc3ccc(C(=O)NC(C)(C)C)cc32)c1 12875177 SZDTXITWEJZTTD-UHFFFAOYSA-N 437.540 3.974 0 40 IHAB Cc1cccc(-c2nn(CN(Cc3ccccc3)[C@H]3CCS(=O)(=O)C3)c(=S)n2C)c1 12878685 FHAFUDRBFYGNLH-FQEVSTJZSA-N 442.610 3.573 0 40 IHAB CCCCC[C@@H](C)NC(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCC3)=NC2=O)cc1 12902762 WVSHDPASHXJIKF-APWZRJJASA-N 444.601 3.808 0 40 IHAB CCc1ccccc1NC(=O)CN1CCN(C(=O)/C=C/c2cccc3cccnc23)CC1 13003226 VINWOKZMWOYPAD-OUKQBFOZSA-N 428.536 3.593 0 40 IHAB CCOc1ccc(CN(C)C(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)cc1 13027501 LYKZVSOVPVZMRG-DEOSSOPVSA-N 442.515 3.951 0 40 IHAB COCCn1nnnc1[C@H](c1ccc(Cl)cc1)N1CCN(c2cccc(C)c2C)CC1 13504234 IYSOJJAFZJWYDT-QFIPXVFZSA-N 440.979 3.501 0 40 IHAB Cc1ccc2cc(/C=C(\NC(=O)c3ccccc3)C(=O)N3CCOCC3)c(Cl)nc2c1 13575259 YABWQPWUSORBQX-QNGOZBTKSA-N 435.911 3.826 0 40 IHAB COc1cc(-c2noc(CCC(=O)Nc3cccc4ncccc34)n2)cc(OC)c1OC 13653890 VZDOEKBVUDIECR-UHFFFAOYSA-N 434.452 3.882 0 40 IHAB Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)NCCCN1CCCCCC1 13670711 PCPFWWSDZTVWGD-UHFFFAOYSA-N 429.586 3.792 0 40 IHAB CCOC(=O)c1cccc(NC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c1 13672290 QCQFPBJWMCMSKF-UHFFFAOYSA-N 432.542 3.566 0 40 IHAB COc1ccc(S(=O)(=O)Nc2nc3ccc(C(=O)NCCC(C)C)cc3s2)cc1 13720982 XODOLDJACRHCKD-UHFFFAOYSA-N 433.555 3.882 0 40 IHAB CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)C1 13790263 PMXMFZFYEWXDPO-SNVBAGLBSA-N 434.370 3.727 0 40 IHAB COc1cccc(NC(=O)CN(C)C(=O)c2cc3ccccc3cc2NC(=O)C2CC2)c1 14068028 TVSPISAPKPOWFX-UHFFFAOYSA-N 431.492 3.908 0 40 IHAB CNC(=O)c1ccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccs2)cc1 14200104 TZASCZOYHXKRQF-HXUWFJFHSA-N 446.532 3.569 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(=O)n(Cc2cc3ccc(C)c(C)c3nc2Cl)c1 14851097 DJJRGXYJXHYXAR-UHFFFAOYSA-N 433.961 3.746 0 40 IHAB CCOC(=O)C1=C(CSc2ncnc3sc(-c4ccccc4)cc23)NC(=O)N[C@H]1C 16684540 TWZXWQOOENSATL-LBPRGKRZSA-N 440.550 3.969 0 40 IHAB Cc1ccc(OCc2nc(C)c(C(=O)OCCN3C(=O)c4ccccc4C3=O)s2)cc1 18390903 IBLSRXUBEUJIOH-UHFFFAOYSA-N 436.489 3.792 0 40 IHAB COc1cc(C2SCCS2)ccc1OC(=O)CCN1C(=O)c2ccccc2C1=O 18699075 LBOATZGIPUAQNR-UHFFFAOYSA-N 429.519 3.766 0 40 IHAB CCc1nn(C)c(C(=O)N2CCNC(=O)[C@H](Cc3ccc(-c4cccc(C)c4)cc3)C2)c1C 19521027 KQCLUNICSNWCSK-HSZRJFAPSA-N 444.579 3.697 0 40 IHAB CNc1cc([C@@H]2CCCN(C(=O)c3c(OC)cccc3OC)C2)nc(-c2cccnc2)n1 19592175 BTBMLKAQVOTXAL-QGZVFWFLSA-N 433.512 3.617 0 40 IHAB CN(C)C(=O)c1sc2ncccc2c1[C@H]1CCN(CC(=O)Nc2ccc(F)cc2)C1 19702102 JIQXXUNZFMRQCJ-AWEZNQCLSA-N 426.517 3.565 0 40 IHAB Cc1nc([C@H]2CCCN2C(=O)COC(C)C)nc2c1CCC(=O)N2CC1CCCCC1 19741991 UYCOFHRRBLEDRA-HXUWFJFHSA-N 428.577 3.733 0 40 IHAB C[C@@H]1CN(Cc2csc(NC(=O)COCc3nc4ccccc4s3)n2)C[C@@H](C)O1 22302109 GGOLRGZAHBNXFS-ZIAGYGMSSA-N 432.571 3.517 0 40 IHAB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1)NCCc1ccccc1 22378113 JNFVLHIPLRUCPC-UHFFFAOYSA-N 430.476 3.519 0 40 IHAB O=C(Nc1ccc(OS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)c1ccccc1 25649305 BWSVAPXQSWIGJW-UHFFFAOYSA-N 425.462 3.868 0 40 IHAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)NC(c2ccccc2)c2ccccc2)cc1 28209672 MPNNBOPKKCHINV-JOCHJYFZSA-N 448.544 3.581 0 40 IHAB CCN(CC)[C@@H](CNC(=O)NCCc1ccc(OC)c(OC)c1)c1cccc(OC)c1 29321329 PMLXVULQEKPBER-NRFANRHFSA-N 429.561 3.637 0 40 IHAB COc1cccc(C(=O)N2CCN([C@@H](C)c3nc(-c4ccc(Cl)cc4)no3)CC2)c1O 32914479 WQAAODKUZOHEAZ-AWEZNQCLSA-N 442.903 3.623 0 40 IHAB O=C1C[C@H](c2nc3ccccc3n2C[C@H](O)COc2ccccc2)CN1Cc1ccccc1 33320875 FGVHBRLHTGPBOR-VXKWHMMOSA-N 441.531 3.992 0 40 IHAB CCCCOc1cccc(C(=O)NC(=S)Nc2ccccc2N2CCN(C)CC2)c1 33629964 RBGUNBFIQNSQIM-UHFFFAOYSA-N 426.586 3.744 0 40 IHAB COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2cccnc2)[C@@H](c2ccc(F)cc2)CN1C 35494269 XVVLECVLYLGIIY-OPJGWUQDSA-N 431.467 3.605 0 40 IHAB CC(=O)c1ccc(S(=O)(=O)N2CCC(Cn3cnc4cc(C)c(C)cc43)CC2)cc1 38488534 XJADDVBNZBWWCH-UHFFFAOYSA-N 425.554 3.957 0 40 IHAB C[C@H](NC(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C)c1cc2ccccc2o1 40071974 SVFNMFFRZREGSX-IVCQMTBJSA-N 431.492 3.999 0 40 IHAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N[C@@H](c1cccs1)C1CCCC1 40096620 PDGJOOHJMONYKK-HXUWFJFHSA-N 449.598 3.822 0 40 IHAB COc1ccc(OCc2noc(CNC(=O)CSc3nc4ccccc4s3)n2)cc1 49027130 MVGWQBNBPWGOGE-UHFFFAOYSA-N 442.522 3.675 0 40 IHAB COc1c(F)c(F)c(C(=O)Nc2ccccc2-c2nn3c(C)nnc3s2)c(F)c1F 57313120 QYZITYROSQQEIJ-UHFFFAOYSA-N 437.378 3.979 0 40 IHAB O=C(Cn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2sccc21)Nc1ccc(F)c(F)c1 57492009 OYSZZAKDXWTJLU-UHFFFAOYSA-N 447.850 3.784 0 40 IHAB CC(=O)Nc1c(C)cccc1-c1nnc(SCC(=O)Nc2c(F)cccc2F)nc1O 64774840 FTXHQKQNXBCMML-UHFFFAOYSA-N 445.451 3.520 0 40 IHAB O=C(NCc1ccc(Cl)cc1)C(=O)NCC1CCN(c2nc3ccccc3s2)CC1 70900185 MNBWTHNVQXSIOE-UHFFFAOYSA-N 442.972 3.599 0 40 IHAB O=C(CCn1cccn1)N1CC[C@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1 72371520 RRFYKFLJMJJKNO-INIZCTEOSA-N 447.461 3.653 0 40 IHAB COc1ccccc1S(=O)(=O)N1CCC[C@H]1c1cccc(Nc2nc(C)cc(C)n2)n1 72375831 UIXFLEHOGKNUIU-SFHVURJKSA-N 439.541 3.766 0 40 IHAB CC(=O)N1CCCC[C@H]1c1nc2c(c(NCc3ccccc3OC(C)C)n1)CCN(C)C2 72376586 ASZZTSADLXVEDI-QFIPXVFZSA-N 437.588 3.937 0 40 IHAB O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@H](c2nnc(C(F)(F)F)o2)C1 77198156 FCUZNCCZTSNVIS-VIFPVBQESA-N 429.342 3.676 0 40 IHAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N1CCC(Cc2cccnc2)CC1 95457882 IEZJBIHRCNOORD-UHFFFAOYSA-N 446.477 3.569 0 40 IHAB COc1cc(Br)c(F)cc1S(=O)(=O)Nc1cccc(CCOC(C)=O)c1 96011292 GOXWWJCPBLJJRO-UHFFFAOYSA-N 446.294 3.503 0 40 IHAB CC(C)NC(=O)C[C@@H]1CC2(CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c2ccccc21 96241953 IGSUOVZALHJPEW-LJQANCHMSA-N 434.536 3.991 0 40 IHAB COc1ccc(C(=O)COc2ccccc2N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1 100838222 KZYGSDRQJMDQRQ-JULCDOBOSA-N 429.472 3.514 0 40 IHAB Cc1cccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)C(=O)c2ccccc2)c1C 102517685 GRSGMORQJVKUDN-JKNQRQLFSA-N 426.516 3.961 0 40 IHAB O=C1COc2ccc(N[C@H]3CC(=O)N(c4ccc(Oc5ccccc5)cc4)C3=O)cc2N1 103022342 MXENPZUCDDWUAB-FQEVSTJZSA-N 429.432 3.554 0 40 IHAB CC[C@]1(C)c2sc(=O)[nH]c2S[C@@H]2[C@@H]3C[C@@H]([C@@H]4C(=O)N(c5ccc(F)cc5)C(=O)[C@H]43)[C@@H]21 170612562 HYDGNKXEKCMXEV-OHZMRMIRSA-N 444.553 3.789 0 40 IHAB CS(=O)(=O)N(CC(=O)NCc1cccc2ccccc12)c1ccc(C(F)(F)F)cc1 222881517 NNOKGGFXOCEVPA-UHFFFAOYSA-N 436.455 3.941 0 40 IHAB CCCSc1nnc(NC(=O)[C@H](CC)N(c2cc(C)ccc2C)S(C)(=O)=O)s1 222966562 LDZIXPASSIIYLJ-AWEZNQCLSA-N 442.632 3.840 0 40 IHAB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(CC)cc1Br 223535175 KLIPPTFAABFHJY-INIZCTEOSA-N 447.373 3.944 0 40 IHAB Cc1ccc(N(CCCC(=O)NCCOc2ccccc2C(C)C)S(C)(=O)=O)cc1 223796747 LQQBKVMTTMKOSP-UHFFFAOYSA-N 432.586 3.860 0 40 IHAB CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)NCCOc1ccc(F)cc1 223825653 ZHFQPWRWUYAMGA-UHFFFAOYSA-N 442.512 3.601 0 40 IHAB CCc1ccc(OCCNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1 224099385 KNWHDDRRHVOIEM-UHFFFAOYSA-N 430.570 3.541 0 40 IHAB CCC(=O)N1CCc2cc(S(=O)(=O)NCCSCc3cccc(Cl)c3)ccc21 225078909 GOQXFINQJOHESU-UHFFFAOYSA-N 439.002 3.851 0 40 IHAB CSc1nnc(NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)s1 225732734 VZKJRNIMTSLTKX-UHFFFAOYSA-N 448.595 3.711 0 40 IHAB O=C(COc1ccc(-c2cc3ccccc3c(=O)o2)cc1)N[C@H](Cc1ccccc1)C(=O)O 256027958 LTWPMIAZKNQCEJ-JOCHJYFZSA-N 443.455 3.651 0 40 IHAB CC(=O)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N(C)C(=O)c2cccc3ncccc23)CC1 257208443 BMEFKQDBQAKXIN-OHSXHVKISA-N 445.563 3.684 0 40 IHAB O=C(Cn1ncc2ccccc2c1=O)N1CCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 257277499 NYFGKEIVBGQVGW-OAQYLSRUSA-N 448.910 3.992 0 40 IHAB COc1ccc(C(=O)N2CCC(COc3ccc(Cl)cc3)(CC(N)=O)CC2)cc1F 257339394 ZBMXVPATNKRRQY-UHFFFAOYSA-N 434.895 3.665 0 40 IHAB COc1ccc(C)cc1N([C@@H](C)C(=O)N[C@H](C)c1cc(C)c(C)cc1C)S(C)(=O)=O 260912048 AHGSWWPJRYMMDR-MOPGFXCFSA-N 432.586 3.961 0 40 IHAB CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)c(OC)cc2OC)NC(=S)N1 408604441 JECCNULSJSJJGF-INIZCTEOSA-N 443.363 3.602 0 40 IHAB COc1ccc(OC)c(NC(=O)COC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)c2ccccc2)c1 408647239 BJOZVDWCEXUWAD-DODAUVCRSA-N 437.492 3.731 0 40 IHAB CNC(=O)c1cccc(CNC(=O)N2CC3(CCCC3)c3cc4c(cc3[C@@H]2C)OCCO4)c1 504893358 AXYRTOOFCSIHET-KRWDZBQOSA-N 449.551 3.916 0 40 IHAB Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)NC[C@@H]3OCCc4ccccc43)C2)cc1 670125395 USDICRYGMOWDFV-CVDCTZTESA-N 436.556 3.852 0 40 IHAB CCCc1nc2c3ccccc3n(CC(=O)c3ccc(Br)cc3)c(=O)n2n1 1889091768 WFJFVMGUGKMYJH-UHFFFAOYSA-N 425.286 3.642 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)cc1C(C)(C)C 1889093074 SIXCMBZJXSFFKP-UHFFFAOYSA-N 432.586 3.902 0 40 IHAB CCN(CC)CCCN1CCN(C(=O)c2cccn3cc(-c4ccc(F)cc4)nc23)CC1 2037834551 PHJLMUWUGAACPZ-UHFFFAOYSA-N 437.563 3.630 0 40 IHAB C/C(NCc1ccc(C(F)(F)F)cc1)=C1/C(=O)NC(=O)N(c2ccc(C)cc2C)C1=O 1407444 NRTPNVQCPHBBAK-NBVRZTHBSA-N 431.414 3.969 0 40 IHAB O=C(NCCc1c[nH]c2ccccc12)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 2645655 IPFZCIBCGHQHMZ-UHFFFAOYSA-N 445.972 3.968 0 40 IHAB Cc1csc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCCC2)n1 2648235 RWFDATIWVJNBTE-UHFFFAOYSA-N 448.614 3.869 0 40 IHAB COc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 2655243 CUVACGJGOFUUGV-UHFFFAOYSA-N 439.493 3.707 0 40 IHAB COc1cc(OC)c(C(=O)OCC(=O)NC(c2ccccc2)c2ccccc2)cc1OC 3315911 WIELUQNJBNAHSR-UHFFFAOYSA-N 435.476 3.775 0 40 IHAB COCCn1c(SCC(=O)Nc2ccc(Br)cc2)nc2ccccc2c1=O 3493564 JOQIXIDMSSJVFX-UHFFFAOYSA-N 448.342 3.536 0 40 IHAB COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)NC2CCCCC2)cc1OC 4082735 YTVLZQAMDFWOIX-OPXMRZJTSA-N 430.589 3.821 0 40 IHAB biogenic Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3CCC[C@H](C)C3)cc2c1 6408915 CRTGYUWGNJSQHR-MBSDFSHPSA-N 428.540 3.693 0 40 IHAB CCS(=O)(=O)c1ncc(Cl)c(C(=O)N(Cc2ccccc2)c2ccc(OC)cc2)n1 8611971 GWERYNSRNNVXES-UHFFFAOYSA-N 445.928 3.779 0 40 IHAB C[C@@H]1C(=O)Nc2ccc(-c3csc(-c4cccc(NC(=O)CN5CCOCC5)c4)n3)cc21 8745527 NSCYQHSMDAEQFD-HNNXBMFYSA-N 448.548 3.803 0 40 IHAB COc1ccc(-c2cc(=O)oc3cc(O[C@@H](C)C(=O)NCCCn4ccnc4)ccc23)cc1 8791162 VXJGZXNPBUVEMN-KRWDZBQOSA-N 447.491 3.639 0 40 IHAB biogenic Cc1ccc(-c2nnc(SCC(=O)N(C)CC(=O)Nc3cc(C)ccc3C)n2C)cc1 8924515 RGSOAEFFMYQUML-UHFFFAOYSA-N 437.569 3.597 0 40 IHAB Cc1ccc(C2=NN(C(=O)CN3C(=O)NC4(CCCCCC4)C3=O)[C@H](c3ccco3)C2)cc1 9126024 UZRUCVLGWLUFDQ-FQEVSTJZSA-N 448.523 3.911 0 40 IHAB COc1ccc([C@H]2CC(c3ccc(NS(C)(=O)=O)cc3)=NN2C(=O)C(C)(C)C)cc1 9126933 MXCRFIYMBWPSOK-HXUWFJFHSA-N 429.542 3.791 0 40 IHAB Cc1ccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(CCCc3ccccc3)c(=O)n2C)cc1 9160571 ZIMAAKIAJMWVKI-LJQANCHMSA-N 443.551 3.626 0 40 IHAB O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)N(c1ccccc1)C1CCCCC1 9218850 UECUYOSVTTVJRW-UHFFFAOYSA-N 427.508 3.948 0 40 IHAB O=C1CSc2ccc(C(=O)Nc3nc4c(s3)CN(Cc3ccccc3)CC4)cc2N1 9254294 HOEJSXAXJKIVDC-UHFFFAOYSA-N 436.562 3.998 0 40 IHAB COc1cc2oc(=O)c(CC(=O)Nc3ccc(Cn4cncn4)cc3)c(C)c2cc1Cl 9306335 SLMPOIRKSBKAIL-UHFFFAOYSA-N 438.871 3.584 0 40 IHAB COc1cc(S(=O)(=O)N2CCC[C@@H]2c2nc3ccccc3s2)ccc1NC(C)=O 9390586 SOMHQXIKQPXKJM-QGZVFWFLSA-N 431.539 3.789 0 40 IHAB CCn1c(SCC(=O)N2CCc3cc(OC)c(OC)cc3C2)nnc1-c1ccccc1 9499256 MCMURZUBNLFHPO-UHFFFAOYSA-N 438.553 3.659 0 40 IHAB CN(C)S(=O)(=O)c1cccc(NC(=O)c2ccccc2OCc2ccc(F)cc2)c1 9587091 VAFSIHJALWUADU-UHFFFAOYSA-N 428.485 3.907 0 40 IHAB Cc1noc(C)c1COc1ccc(CC(=O)OCC(=O)Nc2ccc(Cl)cn2)cc1 9634393 WKDKQUJZTLGKEH-UHFFFAOYSA-N 429.860 3.643 0 40 IHAB C[C@H](NC(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1)c1ccc2c(c1)OCCO2 9814314 SGOGHVPDIXZLJA-HNNXBMFYSA-N 436.537 3.885 0 40 IHAB Cc1ccnc2nc(C(=O)OCC(=O)Nc3c(Cl)c(Cl)cc(Cl)c3Cl)nn12 10021742 CSADKPAPWJIUGP-UHFFFAOYSA-N 449.081 3.842 0 40 IHAB CCOC(=O)N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc4c(c3)OCO4)=NN12 10213878 KDUKUBUAZZQGFU-IBGZPJMESA-N 435.480 3.907 0 40 IHAB COc1cc(NC(=O)CSc2nccn(-c3ccc(Cl)cc3)c2=O)cc(OC)c1 10272819 DSMBBDKLWYWIJK-UHFFFAOYSA-N 431.901 3.634 0 40 IHAB COC(=O)c1ccc(OCC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)c(OC)c1 11673620 OCWXQZNZCNOOQQ-INIZCTEOSA-N 440.477 3.893 0 40 IHAB CC[C@@H](NC(=O)COc1ccc2c(=O)c(-c3ccc(Cl)cc3)c(C)oc2c1)C(=O)O 11866160 YSCFPOPJRALVCE-QGZVFWFLSA-N 429.856 3.780 0 40 IHAB CC(C)c1cc(C(F)(F)F)n2nc(C3CCN(C(=O)c4cncc(N)c4)CC3)cc2n1 12160406 UUPAPNLQHMYHBP-UHFFFAOYSA-N 432.450 3.869 0 40 IHAB CCCCn1c(N2CCN(C(=O)C(C)(C)C)CC2)nc2sc3c(c2c1=O)CCCC3 12322495 XHDOTERHMDCXRM-UHFFFAOYSA-N 430.618 3.832 0 40 IHAB Cc1nc(SCC(=O)N2CCC(c3nc4ccc(F)cc4cc3C(N)=O)CC2)oc1C 12749164 IGSTWNDBUUTOEM-UHFFFAOYSA-N 442.516 3.576 0 40 IHAB COc1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)cc1F 12794761 GFPATWMVLQUZDU-UHFFFAOYSA-N 442.512 3.932 0 40 IHAB C[C@@H](CCc1ccccc1)NC(=O)CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O 12898456 QNSNYWIKUKERGB-MBSDFSHPSA-N 446.551 3.549 0 40 IHAB biogenic C[C@H](NCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1cccc2ccccc12 12995936 CYCADOGFLYTUHA-IBGZPJMESA-N 431.536 3.564 0 40 IHAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)cc1 12996520 FVYRDAMYHDSPFY-LJQANCHMSA-N 432.592 3.848 0 40 IHAB CC(C)[C@@H](NC(=O)C1CCN(c2ccc(Cl)nn2)CC1)c1ccc2c(c1)OCCO2 13006112 YQCHRFSHGJHXLE-OAQYLSRUSA-N 430.936 3.631 0 40 IHAB Cc1nn(C)c2c1[C@@H](c1ccc(C(F)(F)F)cc1)[C@H](NC(=O)c1ccccc1)C(=O)N2 13062971 AGJZKRLDWYKUEK-MSOLQXFVSA-N 428.414 3.630 0 40 IHAB Cc1cc(C)nc(SC2=C(Nc3ccccc3O)C(=O)N(CCc3ccccc3)C2=O)n1 13149251 MLDKLXCHSQEUEX-UHFFFAOYSA-N 446.532 3.826 0 40 IHAB Cc1nc2sc3c(c2c2nnc(SCC(=O)NCc4ccco4)n12)CC[C@H](C)C3 13499700 JKVZBOUWGCJUQE-NSHDSACASA-N 427.555 3.774 0 40 IHAB COc1ccc(OC)c([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nc(SC)nn32)c1 13607800 GMYAYVXAEFEXDN-LJQANCHMSA-N 437.525 3.945 0 40 IHAB Cc1cccc(NC(=O)Cc2nc(-c3ccc4c(c3)CCN4S(C)(=O)=O)cs2)c1 14120742 SERYDUFMSQHCMV-UHFFFAOYSA-N 427.551 3.622 0 40 IHAB CC(=O)c1ccc(NC(=O)[C@H](C)Sc2nc(=O)c3cnn(-c4ccc(C)cc4)c3[nH]2)cc1 14237107 AXQWDQKENWACAG-HNNXBMFYSA-N 447.520 3.739 0 40 IHAB Cc1ccccc1CN(C)[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 16374509 DBVNFZHYENEDFS-IBGZPJMESA-N 429.586 3.629 0 40 IHAB COc1ccccc1Nc1nc(N)nc(COC(=O)[C@H](C)Sc2ccc(C)cc2)n1 16679126 IKOGSDQRBSBDNJ-AWEZNQCLSA-N 425.514 3.738 0 40 IHAB O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)CCn2c(=O)oc3cc(Cl)ccc32)C1 17824213 NIRNAWYWHQLGHF-OAHLLOKOSA-N 427.888 3.515 0 40 IHAB O=C(CCc1ccccc1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(C1CCCC1)C2 19370786 QUQCDIVNUVBTEX-QHCPKHFHSA-N 434.584 3.757 0 40 IHAB COc1ccc(CC(=O)N[C@H](Cc2cc(=O)[nH]c(C)n2)c2ccc(Cl)cc2)cc1C 19571227 FOBPXLYTXBFZJC-HXUWFJFHSA-N 425.916 3.691 0 40 IHAB COc1ccc(NC(=O)c2cn(C)nc2CC2CCN(C(=O)Cc3ccccc3)CC2)cc1 19759001 RULNIDHSPKZPED-UHFFFAOYSA-N 446.551 3.705 0 40 IHAB COCCNC(=O)c1cc([C@H]2CCN(Cc3ccc(C)cc3OC)C2)nc2ccccc12 19761875 BCPPJKACCLRDDR-IBGZPJMESA-N 433.552 3.918 0 40 IHAB COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2C)cc1C 20008651 BUKGLLUFQPIHNA-JOCHJYFZSA-N 438.549 3.840 0 40 IHAB O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1)Nc1ccc(F)c(F)c1F 20019949 BHQBNFQFSHWKOL-UHFFFAOYSA-N 436.411 3.922 0 40 IHAB COc1ccc(C)cc1N(CC(=O)Nc1ccccc1F)S(=O)(=O)c1ccccc1 20234358 NRHXSKIFTPNYBO-UHFFFAOYSA-N 428.485 3.977 0 40 IHAB O=S(=O)(N[C@H]1CCCC[C@H]1N1CCN(C2CCCCC2)CC1)c1ccc(Cl)cc1 20441728 KSXFVFBADVPBKS-FCHUYYIVSA-N 440.053 3.880 0 40 IHAB CN(Cc1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2C(F)(F)F)o1)S(C)(=O)=O 20450065 AMTBNFNUKPSGQU-SOFGYWHQSA-N 436.839 3.995 0 40 IHAB O=C(NCC(c1ccccc1)c1ccccc1)c1nn(-c2ccc(Cl)cc2)nc1CO 21149051 ISVPKYGREOAZAM-UHFFFAOYSA-N 432.911 3.975 0 40 IHAB COc1ccc(NC(=O)Nc2cccc(OCc3cc(=O)n4ccccc4n3)c2)cc1OC 21156651 KKUVFUNZISLHFV-UHFFFAOYSA-N 446.463 3.935 0 40 IHAB Cc1ccccc1OC(=O)CSc1nc(-c2ccc(Cl)cc2)nc2cc(=O)[nH]n12 21885410 JWGMQRZEFCPKJM-UHFFFAOYSA-N 426.885 3.744 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 22256618 CTGHUPNXBILDJE-UHFFFAOYSA-N 428.297 3.873 0 40 IHAB CC(C)c1ccccc1N(CC(=O)Nc1ccccc1Br)S(C)(=O)=O 22382515 RUTVEOBJQHAZEJ-UHFFFAOYSA-N 425.348 3.977 0 40 IHAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 22383996 HYYBLYFSSBAMIA-AWEZNQCLSA-N 447.944 3.795 0 40 IHAB COC(=O)CCN(Cc1ccccc1)S(=O)(=O)c1cc(Br)ccc1C 24477946 XCVHFRNFHRMETD-UHFFFAOYSA-N 426.332 3.512 0 40 IHAB COc1ccc(-n2ncc(C(=O)Nc3ccc(C)c4ncccc34)c2C(F)(F)F)nn1 26070716 TYHOBNDZVWORQJ-UHFFFAOYSA-N 428.374 3.799 0 40 IHAB CNC(=O)[C@H]1CN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2O1 29767553 RLKJLZAUOIVCKE-OAHLLOKOSA-N 432.320 3.878 0 40 IHAB O=C(CCc1ncc(-c2c(F)cccc2F)o1)NC1CCN(C(=O)c2ccoc2)CC1 31039487 JIUHDDDXTAMCRA-UHFFFAOYSA-N 429.423 3.566 0 40 IHAB CCN(Cc1ccc(Br)s1)C(=O)c1ccc(C)c(NS(C)(=O)=O)c1 32760640 JWTCWULLRZFMAI-UHFFFAOYSA-N 431.377 3.853 0 40 IHAB Cc1noc(C)c1S(=O)(=O)N1CCCC[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 32815220 TZXKGKWPSBXOLX-HNNXBMFYSA-N 432.329 3.780 0 40 IHAB CCc1ccc(NC(=O)c2nnc(CN3CCN(c4ccc(F)cc4)CC3)s2)cc1 32923744 SLWRCEMTTLGSGU-UHFFFAOYSA-N 425.533 3.814 0 40 IHAB COc1ccc(C(=O)Nc2cccc(OCc3cc(=O)n4cc(C)ccc4n3)c2)cc1OC 33068158 QMJWYZWROMEEHV-UHFFFAOYSA-N 445.475 3.851 0 40 IHAB Cc1ccc(-c2cc(C(=O)NCc3ccccc3F)nn2[C@@H]2CCS(=O)(=O)C2)cc1C 33325697 QYDNZJQGHLICBN-LJQANCHMSA-N 441.528 3.596 0 40 IHAB CC(=O)Nc1cccc(NC(=O)c2csc(Nc3ccc(S(C)(=O)=O)cc3)n2)c1 35596800 SRJSKQJNVOBWKT-UHFFFAOYSA-N 430.511 3.501 0 40 IHAB CCn1ccc(NC(=O)CCn2c(=O)cc(C(F)(F)F)c3cn(C4CCCC4)nc32)n1 36621673 CDQGXQRWRAWVTN-UHFFFAOYSA-N 436.438 3.577 0 40 IHAB CCCc1nnsc1C(=O)NC[C@H](c1cccs1)S(=O)(=O)c1ccc(C)cc1 38563571 NVMLBYLNKJCMCF-QGZVFWFLSA-N 435.596 3.806 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2cc(C)ccc2OC)cc1Cl 39986535 ANBRBBWVUXLTDZ-UHFFFAOYSA-N 440.949 3.705 0 40 IHAB CN(Cc1ccccc1)C(=O)N1CCN(C(=O)/C=C/c2ccccc2OC(F)F)CC1 40135139 RWHFTQXZMUOODE-VAWYXSNFSA-N 429.467 3.697 0 40 IHAB CCc1nn2c(nnc3c(=O)n(Cc4ccc(OC)c(OC)c4)ccc32)c1-c1ccccc1 40388341 NMPRMGPBZKNWKL-UHFFFAOYSA-N 441.491 3.734 0 40 IHAB COc1cc(S(=O)(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c(OC)cc1C 41105573 RDNLOBYFYIIHMX-UHFFFAOYSA-N 445.368 3.830 0 40 IHAB COC(=O)[C@H](CCSC)NC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(C(C)(C)C)cc1 46086008 ZLQLADVMVWJUAU-RBUKOAKNSA-N 436.618 3.540 0 40 IHAB Cc1ccc2c(c1)N(Cc1cccc(Cl)c1)N=C(C(=O)N1CCCCC1)S2(=O)=O 49402695 SKDJSPLZXCTKJJ-UHFFFAOYSA-N 431.945 3.768 0 40 IHAB Cc1cc(C)c(NC(=O)Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3ccccc32)c(C)c1 51357813 LNNOHFGRYIKBDU-UHFFFAOYSA-N 445.494 3.915 0 40 IHAB Nc1c(C(=O)NCc2ccc3c(c2)OCO3)sc2nc(-c3ccc4c(c3)OCO4)ccc12 54360573 OQHRJJPPUASKEY-UHFFFAOYSA-N 447.472 3.933 0 40 IHAB Cc1cc(F)ccc1NC(=O)Cn1c(=O)n(-c2cc(F)cc(F)c2)c(=O)c2sccc21 57429095 PSWWZJWZNUNKAN-UHFFFAOYSA-N 445.422 3.578 0 40 IHAB Cc1ccc(C)c(-n2c(=O)c3sccc3n(CC(=O)N3CCCc4ccccc43)c2=O)c1 57492429 PZMVVMSCSMWCQK-UHFFFAOYSA-N 445.544 3.810 0 40 IHAB O=c1[nH]c(=S)n(CN2CCN(c3ccc(F)cc3)CC2)c2sc3c(c12)CCCC3 57945193 LVTJZAQGUXHDEK-UHFFFAOYSA-N 430.574 3.918 0 40 IHAB CCOc1c(Br)cc(C(=O)Nc2ccn(Cc3cccnc3)n2)cc1OC 58168363 OFBYGNKGOXXZSU-UHFFFAOYSA-N 431.290 3.749 0 40 IHAB CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)N(Cc3ccccc3)C(C)C)cc(C(C)C)nc21 59855460 ATVQHEBLKOILQQ-UHFFFAOYSA-N 436.556 3.915 0 40 IHAB COc1cc(/C=C/C(=O)N[C@H](C)C(=O)O)cc(Br)c1OCc1cccc(C)c1 62715495 QICZTRADTFRHQF-HSBSLETESA-N 448.313 3.948 0 40 IHAB O=C(CSc1nnc2c(=O)n(-c3ccc(F)c(F)c3)ccn12)c1cccc(Cl)c1 64593880 UDJCONSMRKCOCO-UHFFFAOYSA-N 432.839 3.787 0 40 IHAB O=C(CCc1nnc(-c2ccsc2)o1)Nc1ccc(CN2C(=O)CSC2=O)cc1 69950441 BZHAPQYHXUPXRI-UHFFFAOYSA-N 428.495 3.565 0 40 IHAB C[C@@H](NC(=O)N1CCN(c2ccc(Cl)cc2)CC1)C(=O)Nc1ccc2[nH]ccc2c1 71333642 KMBQODFIMPJYIV-OAHLLOKOSA-N 425.920 3.680 0 40 IHAB CC1(C)[C@H]2CC[C@@]13CS(=O)(=O)N(C(=O)c1cc(Cl)c(Cl)cc1C(=O)O)[C@H]3C2 72099235 RFABDSDXSYNRJG-QNGPCOALSA-N 432.325 3.672 0 40 IHAB COc1ccccc1CN1CCC2(CC1)C[C@]1(CO2)NC(=O)c2cc(Cl)ccc2N1 72325568 VUERKWQNWQJVLE-HSZRJFAPSA-N 427.932 3.655 0 40 IHAB Cc1cccc(C(=O)N2CCCC[C@H]2c2nc(O)c3c(n2)CCN(Cc2cccnc2)C3)c1 72330613 UJQBPEWQTVZMIQ-QHCPKHFHSA-N 443.551 3.811 0 40 IHAB CC(=O)Nc1ccc(CN2CCN(c3c(F)cccc3[C@H](O)c3ccccn3)CC2)cc1 72340715 XEUHRFQVENOYBB-VWLOTQADSA-N 434.515 3.583 0 40 IHAB CCn1ccc(C(=O)N2CCC[C@@H]2c2nc(C)c3c(n2)N(CCc2ccccc2)CCC3)n1 72372912 NTUACBZKOFZMCB-HSZRJFAPSA-N 444.583 3.974 0 40 IHAB Cc1cc(NC(=O)C(=O)N[C@@H](CCCc2ccccc2)c2ccccc2)ccc1C(N)=O 84089961 BYPOAPJTTFSVQL-QHCPKHFHSA-N 429.520 3.913 0 40 IHAB COc1ccc2c(C)c(CCC(=O)NC(C)(C)C(=O)NCC3CCCCC3)c(=O)oc2c1 89568293 JKUDUWISIBOWTL-UHFFFAOYSA-N 442.556 3.634 0 40 IHAB CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)c1ccc(Br)s1)C(=O)OC(C)(C)C 95415935 UGWRTGMLPGKKNX-RYUDHWBXSA-N 447.395 3.502 0 40 IHAB Cc1oc(CN(C)C(=O)c2ccc(Cl)cc2I)cc1C(=O)O 95425053 IPKZIITWKCTYDL-UHFFFAOYSA-N 433.629 3.816 0 40 IHAB COc1ccc(NC(=O)[C@H](C)N(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c(OC)c1 220191122 JGMHTJXHOSBJHM-LBPRGKRZSA-N 446.447 3.516 0 40 IHAB Cc1ccc(N([C@@H](C)C(=O)NCc2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1Cl 220370793 ZIVDWLYNONCYFG-INIZCTEOSA-N 438.977 3.907 0 40 IHAB CCc1ccc([C@@H](C)NC(=O)CCc2cc(S(=O)(=O)N3CCCC3)ccc2OC)cc1 223322044 QVMMWLHKGMCHDK-GOSISDBHSA-N 444.597 3.852 0 40 IHAB O=C(NCCO)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 223494177 ZXRVFHZDZVYGTR-VWLOTQADSA-N 434.511 3.637 0 40 IHAB COc1cccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccccc3)cc2)c1 224561857 NUWZBUZZCUPBIC-INIZCTEOSA-N 426.494 3.902 0 40 IHAB CCOC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc2ccccc2c1 225050198 KATUCLRGYMKPGX-UHFFFAOYSA-N 429.494 3.615 0 40 IHAB CNS(=O)(=O)c1cccc(C(=O)NCCSCc2c(Cl)cccc2Cl)c1 225408517 FTJFKBGJJJVURO-UHFFFAOYSA-N 433.382 3.565 0 40 IHAB CC(C)Oc1ccc(CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1 225511070 WEVRGJUKFVJMIZ-OAQYLSRUSA-N 444.597 3.624 0 40 IHAB CC(C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc2c(c1)OCO2 225572353 QWDXRIXRBNGSAQ-INIZCTEOSA-N 430.932 3.943 0 40 IHAB O=C(NC1CCCC1)c1c(NC(=O)[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C(=O)O)sc2c1CCC2 225765072 OWWBZGDRILUOGN-RUZGCFLTSA-N 428.554 3.761 0 40 IHAB CC(C)c1nnc(NC(=O)CN2CCO[C@H](c3cccc(Cc4ccccc4)n3)C2)s1 257201654 AILMBBJWJQWLBB-FQEVSTJZSA-N 437.569 3.659 0 40 IHAB CN(CC(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CCCCC2)C1)C1CCCC1 257264285 LTSDCARHKMURRR-URXFXBBRSA-N 441.616 3.560 0 40 IHAB Cc1cc(CN(C)C(=O)C[C@@H]2CCCN(C(=O)c3ccc4c(c3)c(C)c(C)n4C)C2)no1 257278200 OBGLOGFNUTXVEW-IBGZPJMESA-N 436.556 3.992 0 40 IHAB CCOCC(=O)N1CCC(COc2cccc(Cl)c2)(CC(=O)N2CCCCC2)CC1 257311406 UJHIVWZHAKSPRN-UHFFFAOYSA-N 436.980 3.767 0 40 IHAB Cc1c(Cl)cccc1N(CCCC(=O)N[C@H](C)COc1ccccc1)S(C)(=O)=O 260746993 ZFZNSYGHPUXKMU-MRXNPFEDSA-N 438.977 3.778 0 40 IHAB CCOc1ccc(N([C@H](C)C(=O)NCc2cc(CC)ccc2CC)S(C)(=O)=O)cc1 260805353 BEUSGTQXFLRVLE-QGZVFWFLSA-N 432.586 3.681 0 40 IHAB Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)c2)c(C)c1 408651950 BVLLWORWEQMFKU-ZCVTWQBDSA-N 446.503 3.634 0 40 IHAB Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)cc1C 408660335 NTSOYMOVOXEQBE-SFTDATJTSA-N 432.476 3.555 0 40 IHAB CN(C)c1ccc(-n2cccc2/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc1 409374885 AXIBMUFMFQYXNJ-HKWRFOASSA-N 438.553 3.592 0 40 IHAB NS(=O)(=O)c1ccc(-c2nc(-c3ccc(Oc4ccc(F)cc4)nc3)no2)c(F)c1 566731511 OMCPNNKHBHRVEQ-UHFFFAOYSA-N 430.392 3.517 0 40 IHAB CN(C)CCN(Cc1ccccc1)C(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O 603769896 ZOZBEXRUEPUVBJ-HXUWFJFHSA-N 448.489 3.584 0 40 IHAB CC(=O)c1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 829729 AZINWZSZFAWCAA-UHFFFAOYSA-N 426.469 3.862 0 40 IHAB COc1ccc(Br)cc1[C@@H]1C(C(=O)Nc2ccccc2)=C(C)Nc2ncnn21 959030 WQRNTQINUCKGPL-GOSISDBHSA-N 440.301 3.977 0 40 IHAB Cc1c(N[C@@H](NC(=O)c2ccco2)C(Cl)(Cl)Cl)c(=O)n(-c2ccccc2)n1C 1103529 CBXOYCOCIJEOIZ-KRWDZBQOSA-N 443.718 3.616 0 40 IHAB CCN(CC)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1 2709483 ZWBKQFUOCRTDRI-UHFFFAOYSA-N 439.541 3.684 0 40 IHAB CCCCOc1ccc(OCCNC(=O)[C@@H]2CC(=O)Nc3cc(OC)c(OC)cc32)cc1 8815929 KYXWRTFVYJULNV-LJQANCHMSA-N 442.512 3.504 0 40 IHAB COc1ccc(C(=O)N[C@@H](C(=O)OCC(=O)c2ccc(Cl)cc2)C(C)C)cc1OC 8993704 CJHSZVNXWJOPER-HXUWFJFHSA-N 433.888 3.538 0 40 IHAB O=C(CSc1nnc(-c2ccc(Cl)cc2)[nH]1)N1CCN(c2ccc(F)cc2)CC1 9095852 UQSIEZLWGCHDHL-UHFFFAOYSA-N 431.924 3.705 0 40 IHAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(-c2cccnc2)n1C1CC1 9252386 BJUJKUGKHDBXOX-CQSZACIVSA-N 434.525 3.531 0 40 IHAB COc1ccc(-c2cc3ncn(CC(=O)Nc4ccc5c(c4)OCCO5)c(=O)c3s2)cc1 9376960 XKYGIEGIPYFUMP-UHFFFAOYSA-N 449.488 3.544 0 40 IHAB CCn1cc(C(=O)c2cc(F)ccc2O)cc1-c1nc2cc(OC)c(OC)cc2c(=O)[nH]1 9458513 DOLRUDWPLJABOY-UHFFFAOYSA-N 437.427 3.504 0 40 IHAB O=C(NCc1ccccc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 10128455 KDHWOLSIPHPVFD-NRFANRHFSA-N 428.941 3.546 0 40 IHAB CCc1ccc(NS(=O)(=O)c2cc(C(=O)NOCc3ccccc3)ccc2OC)cc1 10319131 GGXJAIUGHUZLIF-UHFFFAOYSA-N 440.521 3.920 0 40 IHAB COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)c1 10339148 XWIQQWKRRDQLTC-CQSZACIVSA-N 438.933 3.537 0 40 IHAB O=C(Nc1nc2ccccc2nc1N1CCCC1)C1CCN(C(=O)c2ccc(F)cc2)CC1 10914583 AGZNZIMLFFVCQI-UHFFFAOYSA-N 447.514 3.860 0 40 IHAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3ccc(OC)c(Cc4ccccc4)c3)ccc21 12041234 ZZNIQTZLSNDDDH-UHFFFAOYSA-N 429.476 3.561 0 40 IHAB Cn1nccc1C(=O)N1CCC(c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C(C)(C)C)N3)CC1 12182543 NAYVJRKUVPOACY-DLBZAZTESA-N 438.498 3.970 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1ccc(F)cc1)n2CC 12345585 CUBGKRKMFPZCQX-UHFFFAOYSA-N 446.548 3.797 0 40 IHAB Cc1cc(N2CCN([C@H](C)C(=O)Nc3cccc(Br)c3)CC2)nc(C(C)C)n1 12744951 MUTUNNBLXRSTMU-MRXNPFEDSA-N 446.393 3.820 0 40 IHAB O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)[C@@H]2CC(=O)N(C3CC3)C2)c1 12759886 MLRDSVXRDWNNBG-CQSZACIVSA-N 431.414 3.907 0 40 IHAB O=C(OCc1ncc(-c2ccc(Cl)cc2)o1)c1cccc(N2CCCS2(=O)=O)c1 12892114 OSFSQSJFAQJRFF-UHFFFAOYSA-N 432.885 3.892 0 40 IHAB COCCOC(=O)c1sc2nc(CN[C@@H](C)c3ccccc3Cl)[nH]c(=O)c2c1C 13040151 VXPDQRZRVTXODN-LBPRGKRZSA-N 435.933 3.600 0 40 IHAB COc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cc(C)on2)cc1OC 13556351 XCSQWSYFZTXOMA-FQEVSTJZSA-N 436.395 3.996 0 40 IHAB CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)N(Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 13759341 FSGDLKDCMCTAEZ-VYDXJSESSA-N 434.360 3.933 0 40 IHAB CN(C[C@H]1COc2ccccc2O1)C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 14200815 CMJXKCOBLDELLV-FQEVSTJZSA-N 426.476 3.846 0 40 IHAB COc1ccc(S(=O)(=O)Nc2nn(Cc3ccccc3F)cc2Br)cc1 14234142 LEWWXBYDWLZFFT-UHFFFAOYSA-N 440.294 3.642 0 40 IHAB COc1ccc([C@H]2CCCCCN2CC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1 15105676 DMVIRVTZGMJBCL-LJQANCHMSA-N 449.473 3.785 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N1CCC(Cc2ccccc2)CC1 15433766 FJIJTXLGBZEHMF-UHFFFAOYSA-N 426.582 3.874 0 40 IHAB COc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCN3[C@@]23C(=O)Nc2c(Cl)cc(C)cc23)cc1 15972125 FSXFFARJUOASMZ-FMKFIRIRSA-N 425.916 3.927 0 40 IHAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)cs1 16277078 TXNQQZVZVKBVDL-UHFFFAOYSA-N 439.562 3.644 0 40 IHAB CCCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3ccc(Cl)s3)ccc21 17287029 WMGCHLJNMFSDOM-UHFFFAOYSA-N 434.992 3.695 0 40 IHAB CSCc1c(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)oc2ccccc12 17846095 CVJGMPHTMJOXIN-UHFFFAOYSA-N 444.578 3.584 0 40 IHAB O=C(NCCc1ccccc1F)C1CCN(C(=O)c2ccc(Br)cc2)CC1 18123428 YSDJEQSGXLTNLN-UHFFFAOYSA-N 433.321 3.799 0 40 IHAB CC1=NN(CCC(=O)N2CCC[C@H](c3nc(N(C)C)ncc3-c3ccccc3F)C2)CC1 19693948 QLQALCLNPPTVIA-SFHVURJKSA-N 438.551 3.526 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1 20009502 YMRROOBQIDMORW-LJQANCHMSA-N 444.940 3.877 0 40 IHAB COC(=O)[C@@H](N[C@H]1C2=C(CCCC2)C(=O)N1C1CCCCC1)c1ccc(OC)c(OC)c1 20149705 NVIRVLKCEMVQSW-XZOQPEGZSA-N 442.556 3.879 0 40 IHAB CCOC(=O)C1CCN(CC(=O)N2N=C(c3cc4ccccc4o3)C[C@@H]2c2ccco2)CC1 21365000 RLLQXWPBAHVEDA-HXUWFJFHSA-N 449.507 3.979 0 40 IHAB Cc1ccc([C@@H](C)NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)c(C)c1 22332072 UKHGZFQEPJOWAT-OAHLLOKOSA-N 439.375 3.709 0 40 IHAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 22847816 OLZZJMIOJZGVBP-UHFFFAOYSA-N 436.600 3.803 0 40 IHAB CCc1nc2sc([C@@H](c3ccc(OC)cc3)N3CCN(c4ccccc4)CC3)c(O)n2n1 22854575 FOHYHJIMLFJMAE-OAQYLSRUSA-N 449.580 3.979 0 40 IHAB Fc1ccc([C@@H](c2nnnn2Cc2cccs2)N2CCN(Cc3ccccc3)CC2)cc1 22929765 OFLOLFCFVKUYMP-QHCPKHFHSA-N 448.571 3.829 0 40 IHAB O=C(Cn1nc2c(c1NC(=O)c1cccc(Cl)c1)CSC2)NCc1ccc(F)cc1 23139640 QNBGSIMTIMSJAB-UHFFFAOYSA-N 444.919 3.991 0 40 IHAB O=C(CN1CCN(c2ccccn2)CC1)N1N=C(c2cccs2)C[C@@H]1c1cccs1 23935558 WAXUMLHAXUVJNJ-GOSISDBHSA-N 437.594 3.705 0 40 IHAB O=C(COc1cccc(-n2cnnn2)c1)N1c2ccccc2SC[C@H]1c1ccccc1 25046788 FZKLDBSOCHZVGQ-NRFANRHFSA-N 429.505 3.921 0 40 IHAB CC(=O)N(c1nnc(SCC(=O)Nc2ccc(C)cc2Br)s1)C1CC1 25048747 MZTRCFHEWZLMFD-UHFFFAOYSA-N 441.376 3.855 0 40 IHAB COc1ccc(CNS(=O)(=O)c2ccc(SC)c(C(=O)N3CCC(C)CC3)c2)cc1 26118528 QAFMVKXTHUGDNU-UHFFFAOYSA-N 448.610 3.768 0 40 IHAB COc1ccc(NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)cc1NC(C)=O 26618027 OFFXVFFGHQSFKV-UHFFFAOYSA-N 442.475 3.664 0 40 IHAB C[C@H]1CN(C(=O)c2ccccc2NC(=O)/C=C/c2cnn(-c3ccccc3)c2)C[C@H](C)O1 27987126 OBMFHKHHTDIVGE-PKMDAXGDSA-N 430.508 3.774 0 40 IHAB O=C(CSc1noc(-c2ccc(Br)cc2)n1)Nc1ccc2c(c1)OCO2 28527233 DFBGRHCLIWBVOG-UHFFFAOYSA-N 434.271 3.959 0 40 IHAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 30581984 NBZYCDFHIQTRSJ-HXUWFJFHSA-N 443.532 3.951 0 40 IHAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc(NC(=O)Nc3ccccc3)cc1)C2=O 31265409 PATAWKYVFJQXLY-UPCLLVRISA-N 449.511 3.770 0 40 IHAB CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 32869630 YAAKVVAUPPYKKX-UHFFFAOYSA-N 428.860 3.600 0 40 IHAB CCOc1cc(/C=C2\C(=O)N(c3ccc(OC)cc3)C(=O)N=C2O)ccc1OC(=O)CC 35251141 RJSFBEIMUURJHP-ATVHPVEESA-N 438.436 3.916 0 40 IHAB O=C1C[C@@H](C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)CN1c1ccccc1Cl 36636410 CDLUAPYDBPRUJO-SJLPKXTDSA-N 426.900 3.828 0 40 IHAB CCCCn1nnc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)n1 38198737 FKFFFZFDQWSBRN-PKNBQFBNSA-N 430.921 3.913 0 40 IHAB NC(=O)c1ccc(N2CCCC2)c(NC(=O)c2cc3cc(Br)ccc3[nH]2)c1 40062088 ASEXRROITXRKNV-UHFFFAOYSA-N 427.302 3.882 0 40 IHAB NC(=O)c1ccc(NC(=O)[C@H]2CCCN(c3ncccc3C(F)(F)F)C2)cc1Cl 40133423 WHAZWIXZHYRVDL-NSHDSACASA-N 426.826 3.708 0 40 IHAB COc1ccc(C(=O)Nn2ccc3c(cnc4c(-c5ccc(F)cc5)c(C)nn43)c2=O)cc1 40397013 ZXLOWFGLKGUFDN-UHFFFAOYSA-N 443.438 3.551 0 40 IHAB O=C(Cn1c(=O)oc2ccccc21)N1CCC[C@@H](c2nnc(-c3ccccc3F)s2)C1 42380243 QLMJCFJFWSLUQE-CQSZACIVSA-N 438.484 3.658 0 40 IHAB Cc1[nH]ncc1CCCNC(=O)Nc1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1F 65534781 XWXSAJYSSBVDMC-UHFFFAOYSA-N 439.447 3.593 0 40 IHAB Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)N[C@H]3CCc4ccccc43)c2=O)c1C 67218554 SOEADVIUYXGLGV-IBGZPJMESA-N 445.544 3.634 0 40 IHAB COc1ccc(-c2cc3c(N4CCN(c5ccc(F)cc5)CC4)nccn3n2)cc1OC 67285353 JPFJHVCZHQALQT-UHFFFAOYSA-N 433.487 3.879 0 40 IHAB Cc1nc(-c2cccc(F)c2)n(CC(=O)Nc2ccccc2C(F)(F)F)c(=O)c1CCO 67316681 OPDYSOXLNPVSJY-UHFFFAOYSA-N 449.404 3.550 0 40 IHAB CSc1ccc([C@@H]2NC(=O)N(CC(=O)Nc3ccc(C)cc3C)C3=C2C(=O)OC3)cc1 71326836 PGFKKKUSTYKUBJ-NRFANRHFSA-N 437.521 3.541 0 40 IHAB COc1ccc(CN2CCN(C)C(=O)[C@H]2Cc2ccc(-c3ccncc3)cc2)cc1OC 72351833 NSSIVJLCPAULJI-HSZRJFAPSA-N 431.536 3.651 0 40 IHAB O=C(CN1CC(c2nc(Cc3ccccc3)no2)C1)Nc1ccc(OC(F)(F)F)cc1 77190722 AJIBOEOGHJAEHV-UHFFFAOYSA-N 432.402 3.597 0 40 IHAB O=C(Nc1cc(Br)cnc1Br)c1ccc(N2CCCC2=O)cc1 79110677 ZJACCZCOIHMJJQ-UHFFFAOYSA-N 439.107 3.986 0 40 IHAB COc1cccc(N2CCN(Cc3cccnc3S(=O)(=O)c3ccc(C)cc3)CC2)c1 79480618 PGWOQPZJPRHVHC-UHFFFAOYSA-N 437.565 3.554 0 40 IHAB Cc1c(Cl)cccc1S(=O)(=O)N1CCc2nc(NC(=O)c3ccoc3)sc2C1 90582840 MZYXKZBRCCWRBT-UHFFFAOYSA-N 437.930 3.697 0 40 IHAB Cn1c(CN2CCc3ccccc3C2)cc(=O)c(O)c1CN1CC[C@H](c2ccccc2)C1 95480850 TZPMLPPBCSENDJ-QHCPKHFHSA-N 429.564 3.639 0 40 IHAB O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1sc2c(c1C(=O)N1CCCCC1)CCCC2 102337519 FAUADYRSRSQEFX-ZZCKCESHSA-N 428.554 3.714 0 40 IHAB CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 104817760 VWCANZNBNULTDG-NFBKMPQASA-N 439.581 3.620 0 40 IHAB CC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CC=C4C[C@H](OP(=O)(O)O)CC[C@]4(C)[C@H]3CC[C@@]21C 118917731 FKBKGSILHZSWAK-JQFZSLNCSA-N 426.490 3.993 0 40 IHAB CC[C@H](Oc1ccccc1F)C(=O)N(C)Cc1nc(-c2ccc(OC)cc2OC)no1 219585205 QTZRUIYNHRSVNI-KRWDZBQOSA-N 429.448 3.709 0 40 IHAB COc1ccc(OC)c(NC(=O)[C@@H](C)N(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1 220191222 WSXUZUBZRHXFKA-GFCCVEGCSA-N 446.447 3.516 0 40 IHAB CC[C@H](C(=O)Nc1cccc(C(=O)OC)c1)N(c1cc(Cl)ccc1C)S(C)(=O)=O 220719882 RLFDRENRXONOQH-QGZVFWFLSA-N 438.933 3.618 0 40 IHAB CC[C@H](C(=O)Nc1ccc(OC)c(OC)c1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O 222500624 JLPNTOVKDHXLGF-MRXNPFEDSA-N 444.912 3.680 0 40 IHAB CS(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1Cl)Cc1ccccc1Cl 223148468 GZBZZVUXBKCENW-UHFFFAOYSA-N 435.760 3.725 0 40 IHAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3ccccc3Br)c(Cl)cc21 223362878 RFAIDAWWDCHYAR-UHFFFAOYSA-N 431.695 3.831 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)Cc2ncc(C(=O)Nc3ccc(Cl)cc3C)cn2)cc1 223382810 KQVGWQRIAYQYRU-UHFFFAOYSA-N 444.944 3.820 0 40 IHAB CC[C@@H](C(=O)N[C@@H](C)c1ccccc1OC)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O 223486542 FNAVTHCZMNUDSB-UGSOOPFHSA-N 442.940 3.910 0 40 IHAB CCc1ccccc1N(CC(=O)NCCOc1ccc(C(C)(C)C)cc1)S(C)(=O)=O 223631309 CBYYXUSHHLJNGG-UHFFFAOYSA-N 432.586 3.508 0 40 IHAB CC[C@@H](C(=O)Nc1nnc(-c2ccc(C)cc2)s1)N(c1ccccc1F)S(C)(=O)=O 224113935 XMKKPKAZHJHPOA-INIZCTEOSA-N 448.545 3.836 0 40 IHAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1cc(OC)cc(OC)c1 224837723 KAQRFQRFFXKFDM-MRXNPFEDSA-N 448.947 3.680 0 40 IHAB COc1cc(CN2CCN(C(=S)Nc3ccc(C)c(C)c3)CC2)cc(OC)c1OC 225223057 KPRNYSKVADXYOW-UHFFFAOYSA-N 429.586 3.844 0 40 IHAB COc1cc(Cl)nc(NC(=S)NCC2(c3cccc(Cl)c3)CCOCC2)n1 225999620 QLCIMDXBDNVOIN-UHFFFAOYSA-N 427.357 3.827 0 40 IHAB COc1ccc(-c2nc3sc(=Cc4ccc(Cl)cc4Cl)c(=O)n3n2)cc1OC 254871991 KHGZIMFSJORTHY-UHFFFAOYSA-N 434.304 3.690 0 40 IHAB CCOc1ccc(CN2CCO[C@@H](c3ccc(Nc4nc(C)cc(C)n4)cn3)C2)cc1CO 257284873 PERQONVWZNDDDT-XMMPIXPASA-N 449.555 3.697 0 40 IHAB Cc1nc2ccc(C(=O)N3CCC[C@@H](CC(=O)NCCOc4ccc(C)c(C)c4)C3)cc2[nH]1 257287302 PPJKFJFTEREJGG-FQEVSTJZSA-N 448.567 3.926 0 40 IHAB COCCc1ncc(CN2CCO[C@@H](c3cc(Cc4ccc(OC)cc4)cc(C)n3)C2)cn1 257339682 ZCTMSVPGOHUVJX-RUZDIDTESA-N 448.567 3.542 0 40 IHAB CC(C)Oc1ccc(N(CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)S(C)(=O)=O)cc1 260826451 ASDWBPWMGLWBMI-GOSISDBHSA-N 444.597 3.996 0 40 IHAB COc1ccc(N([C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)S(C)(=O)=O)cc1 260826499 BUPOCIQIJSHTKO-SJORKVTESA-N 430.570 3.606 0 40 IHAB COc1cccc(NS(=O)(=O)c2ccc(OC)c(NC(=O)c3ccccc3F)c2)c1 408558772 SYPLJMSSEIKIGJ-UHFFFAOYSA-N 430.457 3.896 0 40 IHAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccco3)c(Cl)c2)cc1 408596253 TZJKFTJFYZYKDH-UHFFFAOYSA-N 434.901 3.737 0 40 IHAB COc1cc(/C=C2\S[C](Nc3cc(Cl)ccc3C)NC2=O)ccc1OCC(=O)O 408809635 ICVVQXSMXMMTDW-UHFFFAOYSA-N 433.893 3.883 0 40 IHAB CC(C)(C)n1cc(C(=O)N2CCC[C@H](N3CCCC3=O)C2)c(-c2ccc(F)cc2F)n1 607905671 DOQAFLBXDFTPSV-INIZCTEOSA-N 430.499 3.810 0 40 IHAB CC1CCN([C@H](CNC(=O)CCn2cc(Br)cn2)c2cccs2)CC1 614524342 LKKVINKQYJEMTH-MRXNPFEDSA-N 425.396 3.687 0 40 IHAB CN1CCOc2ccccc2CCCCC2(CCN(C(=O)c3csc(N)n3)CC2)C1 643573752 LYRBCGUDRZXZRM-UHFFFAOYSA-N 428.602 3.685 0 40 IHAB COc1ccc(NC(=O)Cn2c3c(sc2=O)[C@@H]2c4ccccc4OC[C@H]2CS3)cc1 2405000 IFOYPCNDWLAKSH-DJJJIMSYSA-N 440.546 3.803 0 40 IHAB CCc1ccc(N(C(=O)c2csnn2)[C@H](C(=O)NC2CCCC2)c2ccncc2)cc1 5950171 IXPMCXGDLQHLHO-NRFANRHFSA-N 435.553 3.942 0 40 IHAB CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)C1CCC(C(C)(C)C)CC1)n2CC 6528497 BRPLWQIPQYCUHT-UHFFFAOYSA-N 432.565 3.602 0 40 IHAB CCn1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1ccc2ccccc2c1 6878408 WPBSAHVPUBMWSJ-UHFFFAOYSA-N 435.509 3.705 0 40 IHAB COc1ccc(Br)cc1CN(C)CC(=O)N1c2ccccc2NC(=O)C1(C)C 8719328 NUSAGKNNRIJQSE-UHFFFAOYSA-N 446.345 3.653 0 40 IHAB Cc1oc2cc(OCC(=O)NC[C@@H](O)c3ccccc3)ccc2c(=O)c1-c1ccccc1 8765108 AUIGEIJKGQDLJL-JOCHJYFZSA-N 429.472 3.997 0 40 IHAB biogenic CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(N2CCC(C)CC2)s1 8912466 LDMLISJOXDXROQ-UHFFFAOYSA-N 442.628 3.704 0 40 IHAB COc1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)cc1 9094883 KNVZWEOOVIKAAE-NRFANRHFSA-N 444.940 3.877 0 40 IHAB C[C@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccco1)C(=O)NC(N)=O 9284391 KPESRGDUPFOVCV-VIFPVBQESA-N 440.312 3.569 0 40 IHAB CCn1c(S[C@H](C)C(=O)Nc2nc(C)c(C)s2)nnc1-c1ccc2c(c1)OCO2 9290006 LFCKYNAIWDLBKK-GFCCVEGCSA-N 431.543 3.886 0 40 IHAB COc1ccc(N2C[C@@H](c3nc(-c4ccc(OC)c(OC)c4)no3)CC2=O)cc1Cl 9318490 GTHFJDDJKRZPII-ZDUSSCGKSA-N 429.860 3.936 0 40 IHAB Cc1nnnn1/C(=C\c1ccccc1)C(=O)O[C@H](C)C(=O)Nc1cccc(Cl)c1Cl 9561694 UJVDQEDHCMHMMR-ZSAINHDTSA-N 446.294 3.857 0 40 IHAB COc1cc(OC)cc(C(=O)NCCc2csc3nc(-c4ccc(F)cc4)nn23)c1 9568907 DXABHLNXLNESSQ-UHFFFAOYSA-N 426.473 3.587 0 40 IHAB O=C(COC(=O)c1ccccc1SCC(=O)N1CCCC1)NCCC1=CCCCC1 9593891 AJYXOBYWKBMVIX-UHFFFAOYSA-N 430.570 3.565 0 40 IHAB COC(=O)c1cc(NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)ccc1Cl 9850265 FLGODLMGYXKUKS-UHFFFAOYSA-N 438.933 3.655 0 40 IHAB O=C1N[C@]2(CCc3ccccc32)C(=O)N1CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 9867442 MGMSUZMKBYTRPZ-SANMLTNESA-N 449.526 3.881 0 40 IHAB O=C(Nc1ccccc1)C1CCN(C(=O)CCn2c(-c3cccs3)n[nH]c2=S)CC1 10446611 FNVGDORMXCDDFR-UHFFFAOYSA-N 441.582 3.937 0 40 IHAB COc1cc(CC(=O)N2CCC(c3nc4ccccc4cc3N)CC2)cc(OC)c1OC 12087786 IOBVBUHNOXQSRL-UHFFFAOYSA-N 435.524 3.792 0 40 IHAB C[C@@H]1Cc2cc(CC(=O)N[C@@H]3CC(C)(C)Cc4nc(-c5cnccn5)ncc43)ccc2O1 12241327 MYBLTUFPOICBFS-DNVCBOLYSA-N 429.524 3.629 0 40 IHAB Cc1ccc2nc(N(CCCN(C)C)C(=O)c3cccc(S(C)(=O)=O)c3)sc2c1 12342327 NGGWDIGDJPRFDD-UHFFFAOYSA-N 431.583 3.607 0 40 IHAB Cc1ccc(NC(=O)CN(C)CC(=O)Nc2nc(-c3cc(F)ccc3F)cs2)cc1 12800107 JDWBODBYBJXGGU-UHFFFAOYSA-N 430.480 3.906 0 40 IHAB O=C(NCc1ccccc1)[C@H](c1ccco1)N(C(=O)c1csnn1)c1ccccc1F 12870046 IBOHGMZACRSQLS-FQEVSTJZSA-N 436.468 3.975 0 40 IHAB Cc1ccccc1CN1CCN(C(=O)CSc2nnc(C)n2C2CCCCC2)CC1 12942088 FMXHJEJCXGJGAI-UHFFFAOYSA-N 427.618 3.837 0 40 IHAB Cc1sc2nc(CS[C@H](C)C(=O)/N=c3/sc4ccccc4n3C)[nH]c(=O)c2c1C 13134723 QXEQRTXDSGNHSU-AHGGLUHZSA-N 444.607 3.904 0 40 IHAB CCC[C@@H](c1nnnn1C(C)(C)CC)N(CCO)Cc1cc2ccc(C)c(C)c2[nH]c1=O 13499648 VEXZDSNZYKYEEN-FQEVSTJZSA-N 440.592 3.612 0 40 IHAB CC(C)(C)n1nnnc1[C@H](c1ccccn1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 13561802 CLEFHPXTRJNSAJ-IBGZPJMESA-N 445.493 3.754 0 40 IHAB Cc1noc(C)c1COc1ccc(CC(=O)N2CCN(Cc3cccs3)CC2)cc1 14242426 RBSYQKPWLFBBAP-UHFFFAOYSA-N 425.554 3.819 0 40 IHAB O=C(c1cccs1)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 14253636 RFCXBBWCSSPVLF-UHFFFAOYSA-N 438.880 3.567 0 40 IHAB O=C(NC(=S)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1)c1ccc(Cl)cc1 14269057 KYQBPYAWFHCOCV-UHFFFAOYSA-N 449.832 3.872 0 40 IHAB O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)[C@@H]1Cc2cc(Cl)ccc2O1 15584426 SDGVETILZDMCFJ-FQEVSTJZSA-N 434.945 3.847 0 40 IHAB Cc1ccc(Cl)cc1N1CCN(c2ccc(S(=O)(=O)C3CCCCC3)nn2)CC1 16843667 AFBDVCWMLVHXLX-UHFFFAOYSA-N 434.993 3.871 0 40 IHAB COc1cccc(NC(=O)CSc2nc(O)c3cnn(-c4ccc(Cl)cc4)c3n2)c1 16960410 IVTBLKVJUJMQAP-UHFFFAOYSA-N 441.900 3.914 0 40 IHAB COc1cccc(O[C@@H](C)C(=O)N2CCC([C@@H]3C[C@H](C(F)F)n4nc(C)cc4N3)CC2)c1 19128401 MVPGWPGECZDMFQ-RYGJVYDSSA-N 448.514 3.897 0 40 IHAB CCCC(=O)N1CCC(c2cc3nc4c(c(O)n3n2)CN(C[C@@H]2CC=CCC2)CC4)CC1 19501164 LLPGCLUKQOZLIC-GOSISDBHSA-N 437.588 3.655 0 40 IHAB COc1ccc(-c2cc3nc([C@@H](C)NC(=O)CCc4ccccc4OC)nn3cn2)cc1 19575530 YYZYNIVUKQNCGC-MRXNPFEDSA-N 431.496 3.619 0 40 IHAB CN(C)C(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCN(C(=O)Cc2ccccc2)C1 19580008 OINSIWOJOACXRO-MHZLTWQESA-N 427.548 3.841 0 40 IHAB Cn1cc(C(=O)Nc2nccs2)c(CC2CCN(C(=O)CCC3CCCC3)CC2)n1 19756618 RIAHUDAMIABRQX-UHFFFAOYSA-N 429.590 3.880 0 40 IHAB Cc1ncsc1C(=O)N1CCO[C@H](c2cc(C(=O)NCC(C)C)c3ccccc3n2)C1 19759779 GRNXIINMXPBSKR-FQEVSTJZSA-N 438.553 3.599 0 40 IHAB COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc(C)c2)cc1C 20008656 VMXQNIJDUUDEQR-JOCHJYFZSA-N 438.549 3.840 0 40 IHAB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)NCCCc2ccccc2Cl)CC1 20042981 CDKAMAXXCXLOMG-UHFFFAOYSA-N 449.016 3.939 0 40 IHAB CCN1c2cc(OC)c(OC)cc2C(C)=C(C(=O)Nc2ccccc2SC)S1(=O)=O 20064082 OFHKNBFKWXEEPF-UHFFFAOYSA-N 448.566 3.965 0 40 IHAB COc1ccc([C@@H](CC(C)C)NC(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)cc1 20109010 UTEPWIMOISCQKA-HXUWFJFHSA-N 448.585 3.682 0 40 IHAB CCc1ccc([C@@H](CC(=O)N2CCN(Cc3ccccc3)CC2)NC(=O)C(F)(F)F)cc1 20386747 DKVBAMVFHBDDDT-OAQYLSRUSA-N 447.501 3.703 0 40 IHAB CCOC(=O)C1CCN([C@H](c2ccccc2Cl)c2sc3nc(C)nn3c2O)CC1 22626270 WOEPRGFBQGIBMB-MRXNPFEDSA-N 434.949 3.823 0 40 IHAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N[C@H](C)c2cccc3ccccc23)C1 23434032 MPKAVTDFKIZZPP-DNVCBOLYSA-N 441.553 3.723 0 40 IHAB CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCc1cccc(Cn2ccnc2)c1 24749090 CVSVJBRNOZZXIE-ICSVULDUSA-N 448.611 3.905 0 40 IHAB CCN(CC)C(=O)[C@@H](OC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3)c1ccccc1 24843523 CJKWHFODQDUEMY-QHCPKHFHSA-N 447.535 3.889 0 40 IHAB O=C(Oc1ccc(-c2ccccc2)cc1Cl)C1CCN(c2ccc3nnnn3n2)CC1 24906807 BSTKLFAVSXNRKY-UHFFFAOYSA-N 434.887 3.662 0 40 IHAB CCCOc1ccc(Cc2nn3c(=O)/c(=C\c4ccc(C(C)C)cc4)sc3nc2=O)cc1 26779350 MXLPTCLCHYYNED-PXLXIMEGSA-N 447.560 3.562 0 40 IHAB COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)Nc1ccc(NC(=O)c2ccco2)cc1 26989937 UKDKFXZQVWHJHY-CQSZACIVSA-N 436.468 3.938 0 40 IHAB CCn1c(SCc2ccc(OC)cc2)nnc(Nc2ccc3c(c2)OCCCO3)c1=O 28526859 YSRTZYLIYXYGPN-UHFFFAOYSA-N 440.525 3.864 0 40 IHAB Cc1nnc(SCC(=O)NC[C@H](c2cccs2)N2CCCC2)n1Cc1ccccc1 32761625 DNLKELHECBNPIC-LJQANCHMSA-N 441.626 3.742 0 40 IHAB Cc1c([C@H](C)NC(=O)Cn2nnc3ccccc32)cnn1-c1cccc(C(F)(F)F)c1 32765260 RJMOFZNJZKYFOG-ZDUSSCGKSA-N 428.418 3.822 0 40 IHAB Nc1nc(COC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)nc2ccccc12 32831395 MZGXDJITEWOYJK-QGZVFWFLSA-N 445.306 3.867 0 40 IHAB C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1)c1ccc(-n2ccnc2)cc1 32970935 YKFUYJBGOJUHLW-MBSDFSHPSA-N 440.503 3.910 0 40 IHAB CN(C(=O)CNc1cccc(S(=O)(=O)N2CCc3sccc3C2)c1)C1CCCCC1 40071595 PXRXMHISKBEWHA-UHFFFAOYSA-N 447.626 3.698 0 40 IHAB COC(=O)[C@@H](CCSC)NC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(C(C)(C)C)cc1 46086012 ZLQLADVMVWJUAU-RTBURBONSA-N 436.618 3.540 0 40 IHAB CCOC(=O)N1CCN(c2nnc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)n2)CC1 57743551 CPMHZEOKRLKTGH-UHFFFAOYSA-N 449.511 3.501 0 40 IHAB Cc1nc2cc(F)ccc2cc1C(=O)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 58167353 IBJZADFCXZMPQP-UHFFFAOYSA-N 437.906 3.941 0 40 IHAB CCOC(=O)[C@@H](CNC(=O)NCc1ccc(NC(=O)C(C)C)cc1)Cc1ccccc1 58438224 LPSNALVBDRDNLI-HXUWFJFHSA-N 425.529 3.502 0 40 IHAB O=C(Cc1nnc(-c2cccc(Br)c2)o1)N1CCN(C2CCCCC2)CC1 62007239 VCPYESCSZZKKMZ-UHFFFAOYSA-N 433.350 3.519 0 40 IHAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc3[nH]c(-c4cccc(F)c4)nc3c1)C2=O 69980520 VHKNOSQZLCKARV-JBEBIEQOSA-N 449.486 3.808 0 40 IHAB COc1cccc(-c2noc([C@H](C)NC(=O)CCc3nnc(-c4ccc(C)cc4)o3)n2)c1 72303550 NWLIUTXBBNWOPH-HNNXBMFYSA-N 433.468 3.914 0 40 IHAB CCN(CC)CCN(CCOC)CC(=O)Nc1cccc(CSc2ccccn2)c1 72313470 BFHFCDICBCOZQT-UHFFFAOYSA-N 430.618 3.603 0 40 IHAB COc1cccc(CN2CCN(C)C(=O)[C@H]2Cc2cccc(-c3ccncc3)c2)c1OC 72351667 VWPZOIXXVZOUKR-HSZRJFAPSA-N 431.536 3.651 0 40 IHAB CCOc1ccc(CN2CCC[C@H](c3cc(-c4cnc(N)nc4)cc(C)n3)C2)cc1CO 72353770 FIEDNUVILXPLQC-IBGZPJMESA-N 433.556 3.700 0 40 IHAB COc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2c2cncc(Nc3ccccn3)n2)cc1C 72376444 KBZVLRMLJZLHBU-GOSISDBHSA-N 439.541 3.766 0 40 IHAB O=C(O)C[C@H](c1ccc(F)cc1)C1CCN(C(=O)c2ccccc2N2CCOCC2)CC1 95989472 XAFMYUGDFRKDPJ-JOCHJYFZSA-N 440.515 3.773 0 40 IHAB COC(=O)c1ccc(Cc2noc(COC[C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2)cc1 97377862 FXNDVKGFMNHTIB-KRWDZBQOSA-N 445.516 3.611 0 40 IHAB CC[C@@H](C(=O)N[C@@H]1CC(C)(C)Oc2cc(C)ccc21)N(c1ccccc1)S(C)(=O)=O 219086464 TUUSOKZOFQTRQM-UXHICEINSA-N 430.570 3.958 0 40 IHAB CC1(C)C[C@@H](NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)c2ccccc2O1 219258297 JRDIJOFPCJNHKM-DOTOQJQBSA-N 434.583 3.567 0 40 IHAB COc1cccc(N(CCCC(=O)Nc2ccccc2Br)S(C)(=O)=O)c1 222588276 IOULCKYKGYAPNN-UHFFFAOYSA-N 441.347 3.643 0 40 IHAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccccc1OC 222635100 KDGGLHCQJICMBL-ZDUSSCGKSA-N 425.312 3.544 0 40 IHAB O=C(NCc1ccc2ccccc2c1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 222803473 FNYXYWSBLBPBPV-OAQYLSRUSA-N 428.941 3.963 0 40 IHAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccn(C3CCCCC3)c2)N1CCN1CCOCC1 223162892 URRRCUHBDFATKO-XZOQPEGZSA-N 439.629 3.693 0 40 IHAB CC[C@H](NS(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1)c1ccc(OC)c(OC)c1 223207506 KMVANTLEDHSFAS-INIZCTEOSA-N 427.906 3.573 0 40 IHAB Cc1ccc(N(C)CCNC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc1 224111894 BQDANHVEWLINGL-UHFFFAOYSA-N 437.565 3.686 0 40 IHAB COC(=O)c1ccc(NC(=O)c2ccc(C)c(N(C)S(=O)(=O)c3ccccc3)c2)cc1 224290013 MOCWJQQPYMXLAQ-UHFFFAOYSA-N 438.505 3.859 0 40 IHAB O=C(Nc1nnc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)s1)c1ccc(Cl)cc1Cl 224728675 BBUCOQRXMRPFMX-IGJMFERPSA-N 447.369 3.564 0 40 IHAB COc1ccc(NS(=O)(=O)c2nnc(NC(=O)c3cccc(C)c3)s2)cc1Cl 225122672 DUVNMQDSNKRFQJ-UHFFFAOYSA-N 438.918 3.562 0 40 IHAB O=c1sc2cc(S(=O)(=O)NCc3ccc(F)cc3)ccc2n1Cc1ccccc1 225745862 JGQSHYFJODHFGF-UHFFFAOYSA-N 428.510 3.729 0 40 IHAB COc1cc(C(=O)Nc2cc(Br)c3nc(N)sc3c2)cc(OC)c1OC 226311070 FQTBKYOWTRVRLX-UHFFFAOYSA-N 438.303 3.919 0 40 IHAB C/C=C/C=C/C=C\[C@H](O)[C@H](C)[C@H](CC[C@H](C)[C@@H]1OC(=O)C=C[C@@H]1C)OP(=O)(O)O 255995162 PQNNIEWMPIULRS-HHEIGYNNSA-N 428.462 3.684 0 40 IHAB O=C(CN1CCC(c2cncc(Nc3ccccn3)n2)CC1)N1CCCc2ccccc21 257256918 KNJZZKDHKUWWDK-UHFFFAOYSA-N 428.540 3.774 0 40 IHAB Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCN(S(=O)(=O)c3cnn(C)c3C)C2)n1 257287342 PPNDBFGJWWAWEW-SFHVURJKSA-N 428.533 3.806 0 40 IHAB C[C@]12C[C@@H](Cc3ccccc3)N(CC(=O)Nc3ccnn3C3CCCC3)[C@H]1CCCC(=O)N2 257291312 QGLPIMXYJPOXSS-UFPGJGBJSA-N 449.599 3.681 0 40 IHAB CCn1cc(CN2CCO[C@@H](c3cc(CCOc4cccc(Cl)c4)[nH]n3)C2)c(C)n1 257321705 WCVNRUSLFSBSLY-JOCHJYFZSA-N 429.952 3.783 0 40 IHAB CC[C@@H](C)NC(=O)CCc1c(C)nc2cc([C@@H]3CCN(C(=O)C(C)(C)C)C3)nn2c1C 257332971 XZMPCKSUZKRJFF-CRAIPNDOSA-N 427.593 3.555 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)Cc3ccccc3F)C2)cc1C 260749296 UQPPMOBYJALDFC-IBGZPJMESA-N 448.560 3.592 0 40 IHAB Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 408535179 VDEZBEFVRPSEPG-UHFFFAOYSA-N 442.459 3.816 0 40 IHAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(Cl)ccc2OC)cc1Cl 408608550 RIFNJWCMGNGFPH-NSHDSACASA-N 447.340 3.706 0 40 IHAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NC(C)(C)C)c(Cl)c2)cc1 408626290 VUTBPJMHDVREJH-UHFFFAOYSA-N 440.949 3.833 0 40 IHAB CCCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)cc1 408648967 WXFAIKUTULSACV-OAHLLOKOSA-N 430.888 3.907 0 40 IHAB COc1cc(/C=C2/NC(=O)N(C)C2=O)cc(Br)c1OCc1cccc(F)c1 409188292 FSWFMJQHLBSYNB-OVCLIPMQSA-N 435.249 3.698 0 40 IHAB O=C1[C@@H]2[C@H](C(=O)N1C[C@@H]1CCCO1)C1c3ccccc3C2(Br)c2ccccc21 409197845 QACYZEKEIIYUII-WBFLVCOOSA-N 438.321 3.564 0 40 IHAB CCOc1c(Br)cc(/C=C2/SC(=O)N(CCCOC)C2=O)cc1OC 409228365 XWXVIBPCWPXXSH-GXDHUFHOSA-N 430.320 3.929 0 40 IHAB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(Br)cc2)C1=O 409238744 KXUBIYHUXOOEER-GZTJUZNOSA-N 428.286 3.543 0 40 IHAB O=C(Nc1ccc2nc(C3CC3)sc2c1)c1cccc(CN2CCS(=O)(=O)CC2)c1 512103226 BPLLOQGCWUJBQD-UHFFFAOYSA-N 441.578 3.656 0 40 IHAB O=C(CCCc1ccc2nc(O)[nH]c2c1)Nc1ccc(Cl)c(F)c1N1CCOCC1 512892232 VEXDWGWIJRCOEJ-UHFFFAOYSA-N 432.883 3.859 0 40 IHAB O=S(=O)(NC1CC2(CCN(Cc3c[nH]nc3-c3ccccc3)CC2)C1)c1ccccc1 585102907 HQBRCGPXHYDJOY-UHFFFAOYSA-N 436.581 3.800 0 40 IHAB C[C@@H](NC(=O)c1cccc2nc(O)[nH]c12)c1nc(-c2ccc(Br)cc2)no1 1545729729 KAZQWTXOEAMRAK-SECBINFHSA-N 428.246 3.572 0 40 IHAB CN(C)c1ccc(C(=O)N2CCC3(CC2)Cc2ccccc2CN(CC2CC2)C3=O)cc1 1565550991 IENXUEDMGWDWGI-UHFFFAOYSA-N 431.580 3.970 0 40 IHAB O=S(=O)(c1ccc2ncsc2c1)N1CCC[C@]2(CCCN(Cc3cccnc3)C2)C1 2056223528 QHHQRJYVXJIUPJ-QFIPXVFZSA-N 442.610 3.758 0 40 IHAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Cl)c3)c(=O)n2[C@H]1c1cccs1 635010 QRRFHGLWNVJELV-QMJOVRGKSA-N 444.965 3.513 0 40 IHAB CCn1c(COc2ccccc2C)nnc1SCC(=O)Nc1cc(OC)ccc1OC 915968 DYRIMLQIGSWYEH-UHFFFAOYSA-N 442.541 3.933 0 40 IHAB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)Nc1cc(Cl)cc(Cl)c1 1289454 SKAKGMCTHFBABR-LLVKDONJSA-N 425.243 3.667 0 40 IHAB CC[C@@H]1Oc2ccc(C(=O)n3nc(C)cc3C)cc2N(CC(=O)c2ccc(C)cc2)C1=O 1328663 KSDFMANGCSHPDZ-QFIPXVFZSA-N 431.492 3.884 0 40 IHAB CC(C)Cn1c(=O)c2ccccc2n2c(SCC(=O)N3[C@@H](C)CCC[C@@H]3C)nnc12 1331825 YABGGPBBEGZWDP-HOTGVXAUSA-N 427.574 3.582 0 40 IHAB CC(C)C[C@@H](C(=O)OCC(=O)Nc1ccccc1Cl)N1C(=O)c2ccccc2C1=O 1916992 POVHEEFITRQMCN-SFHVURJKSA-N 428.872 3.533 0 40 IHAB Cc1cc(C(F)(F)F)nn1CCCNC(=O)c1ccn(COc2ccccc2Cl)n1 2796338 NRODRIBVNZTSCM-UHFFFAOYSA-N 441.841 3.917 0 40 IHAB Cc1c(OCC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)ccc2c3c(c(=O)oc12)CCCC3 6232865 SJEDGNXTYBINAW-SSOJOUAXSA-N 425.525 3.513 0 40 IHAB biogenic COc1ccc(C(=O)Oc2ccc(Br)cc2C(=S)N2CCOCC2)cc1 6924856 YHGKENNQDVSAOI-UHFFFAOYSA-N 436.327 3.685 0 40 IHAB CC[C@@H](CO)NCc1cc(I)c(OCc2ccccc2)c(OC)c1 8437945 WKIMSDPGWMQPSW-INIZCTEOSA-N 441.309 3.739 0 40 IHAB COc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)sc2c1 8598933 FGCBXLQFWBUMES-UHFFFAOYSA-N 445.566 3.978 0 40 IHAB COc1ccc(N2C[C@@H](NC(=O)C(c3ccccc3)c3ccccc3)CC2=O)cc1OC 8601689 OXNPIFMYXKUVAJ-FQEVSTJZSA-N 430.504 3.757 0 40 IHAB COc1cccc(C(=O)Nc2ccccc2C(=O)OCc2cc(=O)n3c(C)csc3n2)c1 8607115 ZSRAROGKEWJBLA-UHFFFAOYSA-N 449.488 3.682 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)c2cccc(OC)c2)c1 8708991 KQTUQOQDWFBAQA-UHFFFAOYSA-N 431.558 3.578 0 40 IHAB COc1ccc(C(=O)[C@@H](CC[C@H](CN(C)C)C(=O)c2ccc(OC)cc2)CN(C)C)cc1 8926124 UTLTYRQDCPGJCP-SZPZYZBQSA-N 440.584 3.905 0 40 IHAB CC1=C[C@@H]2C[C@H]1[C@H]1C(=O)N(c3cccc(C(=O)OCC(=O)c4ccc(F)cc4)c3)C(=O)[C@H]21 9094726 KVQGEDZVHYSDTR-JCXROGDPSA-N 433.435 3.567 0 40 IHAB COc1ccc(NC(=O)c2nc(S(=O)(=O)Cc3ccccc3C)ncc2Cl)cc1 9206921 VYZSBNGNDYTBIH-UHFFFAOYSA-N 431.901 3.673 0 40 IHAB C[C@@H](Sc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N(C)C2CCN(C)CC2)cc1 9244409 MQOZARHMCUATMQ-QGZVFWFLSA-N 447.626 3.521 0 40 IHAB Cn1c(=O)c2c(-c3ccc(C(C)(C)C)cc3)n3c(c2n(C)c1=O)[C@@H](c1ccco1)OCC3 9252876 KFBULTKFQVBUTC-JOCHJYFZSA-N 433.508 3.716 0 40 IHAB COc1ccc([C@@H](NC(=O)Cn2cnc3ccc(Cl)cc3c2=O)c2ccccc2)cc1 9254220 UOYLGVZNLQGPST-QHCPKHFHSA-N 433.895 3.964 0 40 IHAB Cc1ccc(-c2csc3ncn(CC(=O)NC(=O)N[C@H]4CCCC[C@@H]4C)c(=O)c23)s1 9536799 LEHJJOZADQFPTE-WFASDCNBSA-N 444.582 3.899 0 40 IHAB Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)c1C 9723941 IWWFBYJUOAFNIY-UHFFFAOYSA-N 438.553 3.869 0 40 IHAB Cc1ccc(N2C(=O)[C@@H]3N=NN(CC(=O)Nc4cc(Cl)ccc4C)[C@H]3C2=O)cc1Cl 9748481 SRXLHPSHQYARGK-QZTJIDSGSA-N 446.294 3.542 0 40 IHAB CS(=O)(=O)n1nc(NCc2cccc(Cl)c2)nc1NCc1cccc(Cl)c1 9847101 CFCRJCXREMCWKS-UHFFFAOYSA-N 426.329 3.617 0 40 IHAB O=C(CNc1cccc(S(=O)(=O)N2CCCCC2)c1)Nc1ccc(N2CCCC2)cc1 9884649 HOLPVONCXCWIJN-UHFFFAOYSA-N 442.585 3.512 0 40 IHAB O=C([C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)N1CCc2[nH]c3ccccc3c2C1 9900514 CDWDJLBJGJGYQE-NRFANRHFSA-N 443.956 3.559 0 40 IHAB NC(=O)CCCCCn1c(SCC(=O)c2c[nH]c3ccccc23)nc2ccccc2c1=O 10606268 ZVMAGYDONSWAHR-UHFFFAOYSA-N 448.548 3.899 0 40 IHAB Cc1ccc(Cl)cc1NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 11776851 WPRXCASFFZRJQV-UHFFFAOYSA-N 438.841 3.960 0 40 IHAB COc1cc2cc(N)c(C3CCN(C(=O)Cc4ccc(N(C)C)cc4)CC3)nc2cc1OC 12087967 QRJCPUQQGYCLNI-UHFFFAOYSA-N 448.567 3.849 0 40 IHAB CC[C@@H](c1nnc(Sc2cc(C)nc3ccccc23)n1CCN1CCOCC1)N(C)C 12522948 SIAHGKCOZLROFN-FQEVSTJZSA-N 440.617 3.631 0 40 IHAB O=C(Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)[C@@H]1COc2ccccc2O1 12548512 PVMXAOIGOFNEGG-FQEVSTJZSA-N 446.431 3.544 0 40 IHAB CCCOc1ccc(C(=O)OCc2cc(=O)n3cc(Br)ccc3n2)cc1OC 12693229 BIOOELFXOUZFIW-UHFFFAOYSA-N 447.285 3.611 0 40 IHAB CCOc1ccc(CN(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)cc1 12731478 AWATYRUUMLOAAV-LJQANCHMSA-N 435.446 3.823 0 40 IHAB Cc1cc(NC(=O)CSc2nc3ccccc3n2CC(=O)NC2CCCCC2)no1 12882105 ZLZJZRXBIKUPTH-UHFFFAOYSA-N 427.530 3.512 0 40 IHAB COc1ccc2cc(C(=O)NCC(=O)Nc3ccc(Br)cc3C)c(C)nc2c1 12997929 WABJCHUQJUTXNM-UHFFFAOYSA-N 442.313 3.991 0 40 IHAB Cc1ccccc1CNCc1nc2c(c(=O)[nH]c(=O)n2Cc2ccccc2)n1CCC(C)C 13015926 DBUBFRJFLZFYRR-UHFFFAOYSA-N 445.567 3.579 0 40 IHAB CC(C)CCNC(=O)[C@H](c1cccnc1)N(C(=O)Cn1nnc2ccccc21)C1CCCC1 13030722 MCOVJPZFNOOEOT-DEOSSOPVSA-N 448.571 3.501 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)COc1ccc(C)cc1 13063201 CHGYTNHNYZNLGS-UHFFFAOYSA-N 432.542 3.586 0 40 IHAB CC(C)n1nc(C(=O)OCc2cc(=O)n3c(n2)sc2ccccc23)c2ccccc2c1=O 13134274 FSPCUDPNXHWIOT-UHFFFAOYSA-N 446.488 3.557 0 40 IHAB Fc1ccccc1[C@H](c1nnnn1Cc1cccs1)N1CCN(c2ccccc2)CC1 13505343 JTUPYWUCNOMBNE-JOCHJYFZSA-N 434.544 3.834 0 40 IHAB CCOC(=O)c1ccc(C)c(NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)c1 13613442 XNEKQQHUDRZACA-UHFFFAOYSA-N 440.521 3.730 0 40 IHAB CC(=O)Nc1cccc(NC(=O)[C@@H]2CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)c1 13655986 HMZSGZQGLXOMFR-LJQANCHMSA-N 432.524 3.936 0 40 IHAB COc1ccc(C(=O)Nc2ccccc2N2CCCCC2)cc1S(=O)(=O)N1CCCC1 15309329 UJGXNUYKEATLDM-UHFFFAOYSA-N 443.569 3.722 0 40 IHAB O=C(NCc1cccc(C(F)(F)F)c1)c1cccc(S(=O)(=O)N2CCCCC2)c1 15977020 YBQPBOLFVNSXFV-UHFFFAOYSA-N 426.460 3.810 0 40 IHAB CCOc1ccc2nc(Nc3nc(CSc4nccc(C)n4)cc(=O)[nH]3)nc(C)c2c1 17099602 XRVHJYPLOJQJEY-UHFFFAOYSA-N 435.513 3.555 0 40 IHAB COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)c([N+](=O)[O-])cc1OCc1ccccc1 17700108 PAKBLWFZIAQXLU-VCHYOVAHSA-N 433.420 3.999 0 40 IHAB CC(C)N1CCC(C(=O)N2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2ccncc2)CC1 19447777 UQYZGWMHEWVDMH-JOCHJYFZSA-N 436.604 3.779 0 40 IHAB CC[C@@H]1Oc2ccc(C(=O)c3ccco3)cc2N(CC(=O)N2CCc3ccccc32)C1=O 19500844 MTPYKIBJVFCTQA-FQEVSTJZSA-N 430.460 3.604 0 40 IHAB CCN1CC[C@@]2(CCC1=O)C[C@H](NC(=O)Cn1c(C)nc3ccccc31)c1ccccc1O2 19527091 XZRDJNAXXGIBED-LVXARBLLSA-N 446.551 3.756 0 40 IHAB CCNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(Cc2cnn(CC)c2)C1 19528759 VTHNQNDSJHIJEG-SANMLTNESA-N 431.584 3.926 0 40 IHAB Cc1ncncc1C(=O)N1CCc2nc(-c3cccnc3)nc(Nc3ccc(F)cc3)c2C1 19552981 ZYBNFRFXFJYSLA-UHFFFAOYSA-N 441.470 3.718 0 40 IHAB C[C@]1(C2CCN(CC(=O)NCc3ccccn3)CC2)CCCCN(Cc2ccccc2)C1=O 19744016 YOCVUSJHQIEJJJ-HHHXNRCGSA-N 448.611 3.629 0 40 IHAB Cc1ncc(C(=O)N2CC[C@@H](c3nc(C)c4c(n3)N(Cc3ccccc3)CCC4)C2)c(C)n1 19752650 URRKGFLESONSMJ-OAQYLSRUSA-N 442.567 3.774 0 40 IHAB Cc1nc([C@@H]2CCCN2C(=O)CCCn2ccnc2C)ncc1C(=O)Nc1ccccc1 19755314 QNTPLTMNTXHBDD-NRFANRHFSA-N 432.528 3.686 0 40 IHAB CCOC(=O)[C@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@@H]1c1ccc(CC)cc1 19818363 JYFICJGJWVHNNI-FGZHOGPDSA-N 435.524 3.751 0 40 IHAB CC[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2cccc(C)c2)CC1)c1ccc(OC)cc1 19934046 UUHRLUCGYCVPQM-QHCPKHFHSA-N 444.597 3.813 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(F)ccc3F)C2)cc1Cl 20016855 AOXYAVCTTCETIK-LBPRGKRZSA-N 444.887 3.666 0 40 IHAB CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(OCC(=O)NCc2ccco2)cc1 22232065 RLSDNIKJFXGCJC-UHFFFAOYSA-N 448.928 3.594 0 40 IHAB CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)Oc2ccccc21 22510859 AOIKTSKPXQZPAO-HNNXBMFYSA-N 434.823 3.525 0 40 IHAB Nc1c(Cl)cc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2F)cc1Cl 22691248 HMCVAJFKWFVHMJ-AWEZNQCLSA-N 432.304 3.507 0 40 IHAB O=C(C[C@@H]1C(=O)N(C2CCCC2)c2nc3ccccc3n21)Nc1ccc2c(c1)OCCO2 23382363 VDFGDLLBZYILGX-LJQANCHMSA-N 432.480 3.667 0 40 IHAB CC(C)c1cc(C(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)c2cnn(C(C)C)c2n1 24831965 JQXIEKLHEROCJH-INIZCTEOSA-N 444.557 3.558 0 40 IHAB CCN(CC)[C@H](CNC(=O)CCC(=O)c1ccc(OC)c(OC)c1)c1cccc(OC)c1 24841423 GSONHUCWEGXZIM-OAQYLSRUSA-N 442.556 3.875 0 40 IHAB CC(C)[C@H](CNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)N1CCOCC1 24969815 AVVZJLQLJPAMGJ-QHCPKHFHSA-N 436.531 3.765 0 40 IHAB Cc1oc(-c2cccs2)nc1CC(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 25641817 SFAWFRQNEVCEJF-LJQANCHMSA-N 429.517 3.583 0 40 IHAB COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(OC)cc2OC)C12CCCC2 32093100 LTQRXCBUEGHZRZ-QFIPXVFZSA-N 438.524 3.841 0 40 IHAB C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 32716865 YTHVDFMTDVJKGO-CYBMUJFWSA-N 444.944 3.543 0 40 IHAB Cc1ccc(CN(CCc2ccccc2)S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)s1 32759204 BPBAJTMLKNKWSR-UHFFFAOYSA-N 442.562 3.935 0 40 IHAB COc1ccc(CN(CC(F)(F)F)C(=O)CCN2C(=O)c3ccc(C)cc3C2=O)cc1 32848226 WNGHVWNCQRMMFQ-UHFFFAOYSA-N 434.414 3.581 0 40 IHAB NS(=O)(=O)c1ccc(NC(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)cc1 40151563 NHNMMHAIBVVUMB-UHFFFAOYSA-N 434.905 3.540 0 40 IHAB COc1ccc(-c2nn3c(=O)cc(CNC(=O)c4ccc(F)c(Cl)c4)nc3s2)cc1 41078149 QAAATLIGOYVTIE-UHFFFAOYSA-N 444.875 3.549 0 40 IHAB Cc1ccccc1N1CCN(Cc2nc(-c3ccc(N4CCC[C@H](C)C4)nc3)no2)CC1 49409674 DMJXBAHQQPFWAH-IBGZPJMESA-N 432.572 3.999 0 40 IHAB COc1cc(/C=C/C(=O)NC[C@@H](C)N2CCN(c3ccccc3)CC2)cc(Cl)c1OC 60412626 ZWGZRMPIKSIHQR-QZEKMECESA-N 443.975 3.697 0 40 IHAB COc1ccc(-c2cn(CC(=O)Nc3ccc(Cl)cc3)nc2N2CCOCC2)cc1 62006919 OZJWUNNECDLOHX-UHFFFAOYSA-N 426.904 3.687 0 40 IHAB COc1ccc([C@@H](C)NC(=O)Cn2c(C)cc3nc(SC)n(CC(C)C)c(=O)c32)cc1 67320146 CRPPTQGLYGNIMW-MRXNPFEDSA-N 442.585 3.770 0 40 IHAB O=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccccc2F)cc1)c1cccs1 67896534 UMXTVKIDYUGSEW-DENIHFKCSA-N 440.496 3.601 0 40 IHAB biogenic,in-vitro CC(C)(C)CC(=O)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2CCCc2ccccc2)cc1 67896601 PIHKNSBMXSLVNL-RCZVLFRGSA-N 438.568 3.955 0 40 IHAB biogenic,in-vitro Cn1ccnc1[C@@H](O)c1cccc(F)c1N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 72340586 KMJCUMMQRTUYFL-NRFANRHFSA-N 448.464 3.982 0 40 IHAB Cc1nc(C2CCN(C(=O)[C@H]3CCCO3)CC2)nc2c1CCCN2Cc1ccc(F)cc1 72373864 KZBCXWLMSYZMKQ-JOCHJYFZSA-N 438.547 3.762 0 40 IHAB COc1cccc(-c2nnc(SCCCNC(=O)C(F)(F)F)n2Cc2ccco2)c1 83975784 BVAGSYUKDIJNLA-UHFFFAOYSA-N 440.447 3.756 0 40 IHAB Cc1nc(-c2ccccc2F)sc1CNC(=O)C[C@H]1CSc2nc(C)c(C)c(=O)n21 90592976 YQDDFQWZLDICQY-AWEZNQCLSA-N 444.557 3.784 0 40 IHAB O=S(=O)(NCCNc1cc(Nc2ccccn2)ncn1)c1ccc(-c2ccccc2)cc1 90607954 YOHSPEQJSUMJAU-UHFFFAOYSA-N 446.536 3.673 0 40 IHAB COc1ccccc1N1CCN(C(=O)Cn2cccc2-c2nc(-c3ccccc3)no2)CC1 98211310 LOTXMJSYVZPAGT-UHFFFAOYSA-N 443.507 3.563 0 40 IHAB C[C@]12CC[C@H]3c4ccc(Oc5nc(N6CC6)nc(N6CC6)n5)cc4CC[C@@H]3[C@@H]1CCC2=O 104082620 JCBUOSRYPMXDEE-GBWYYYKWSA-N 431.540 3.729 0 40 IHAB COc1ccc([C@@H](CC(C)C)NC(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)cc1 219446506 ZJORCFOXJGHYBP-HXUWFJFHSA-N 444.553 3.524 0 40 IHAB C[C@H]1Cc2ccccc2N1C(=O)COc1ccc(S(=O)(=O)N2CCCCCC2)cc1 222749028 CZBAPCNZVLUIJZ-SFHVURJKSA-N 428.554 3.608 0 40 IHAB C[C@H](C(=O)NCc1ccc2c(c1)OCO2)N(Cc1ccccc1)C(=O)Cc1ccccc1 222763370 ZYEAQDYERKHPGA-LJQANCHMSA-N 430.504 3.692 0 40 IHAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1OC 223405271 TVBWWPDPLFNDPZ-IBGZPJMESA-N 430.520 3.935 0 40 IHAB CC[C@H](C(=O)NCCOc1ccc2ccccc2c1)N(c1cccc(C)c1)S(C)(=O)=O 223632431 LMBIUTTXFSLJMT-HSZRJFAPSA-N 440.565 3.888 0 40 IHAB C[C@@H](COc1ccccc1)NC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1 224186561 KRKQSRNJSHCGMI-INIZCTEOSA-N 430.551 3.771 0 40 IHAB Cc1ccc(Cl)cc1N(CC(=O)Nc1ccc(OC(F)(F)F)cc1)S(C)(=O)=O 224862502 UIKRRSRYWRWEDI-UHFFFAOYSA-N 436.839 3.952 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)N1c2ccccc2C[C@H]1C 224911014 DCGRTPVAQNAMHX-GOSISDBHSA-N 442.581 3.780 0 40 IHAB CC(C)CSc1nnc(NC(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)s1 225645798 XAMYTBCHGKJEOD-UHFFFAOYSA-N 442.632 3.814 0 40 IHAB Nc1ncccc1C(=O)N1[C@H](c2cccc(C(F)(F)F)c2)C[C@H]2NC(=O)CCCC[C@@H]21 257230799 GDYQQLXKUIUJHP-SQNIBIBYSA-N 432.446 3.697 0 40 IHAB CCCN1CCN(Cc2ncc[nH]2)C[C@@H](Cc2ccccc2-c2ccccc2OC)C1=O 257330558 XOXJQRWDAWDQSS-OAQYLSRUSA-N 432.568 3.998 0 40 IHAB CC(=O)O[C@H]1C[C@]2(O)[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@H]1c1ccc(=O)oc1 257570260 VOZHMAYHYHEWBW-ASHSBFFASA-N 444.568 3.784 0 40 IHAB COC[C@H](C)NC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(C)cc1 408564257 UHDBVBICMRNGSR-AWEZNQCLSA-N 445.368 3.648 0 40 IHAB CC(C)CNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(OC(C)C)cc2)C1 408614594 DZQBALIYVLGNAJ-GOSISDBHSA-N 437.540 3.851 0 40 IHAB COc1ccc(OC)c(NC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@H]([C@H]4C3=O)[C@@H]3C[C@@H]53)cc2)c1 408673729 UMURVGJWRQOQKY-CXWWUJLYSA-N 444.487 3.514 0 40 IHAB Cc1ccc(-n2cccc2/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1C 409211882 PAFZXAFQHNZUIW-FYJGNVAPSA-N 432.455 3.765 0 40 IHAB O=C(NCc1ccc(F)cc1)c1nnc(CN2CCO[C@@H](c3ccccc3Cl)C2)s1 507820329 ZXLYIHIFFNXZHD-GOSISDBHSA-N 446.935 3.834 0 40 IHAB O=C(CN1CCC(c2nc3ccccc3s2)CC1)N1CCN(c2ccc(F)cc2)CC1 1335232 MJTSXLWDXMTAAL-UHFFFAOYSA-N 438.572 3.964 0 40 IHAB CCCC(=O)N[C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(OC)c(=O)cc21 1579706 XWHJWSRKXWWZRN-KRWDZBQOSA-N 427.497 3.652 0 40 IHAB CCc1ccc(-c2cc(-c3ccc(OC)c(OC)c3)nc3c2c(=O)n(C)c(=O)n3C)cc1 3277087 WUWDFTJKSXAGNT-UHFFFAOYSA-N 431.492 3.546 0 40 IHAB COCCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nc2ccccc2c1=O 3493648 HGVBGXKHVJXJEX-UHFFFAOYSA-N 437.443 3.793 0 40 IHAB O=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 3532843 FMTQXCHCCAADGX-KRWDZBQOSA-N 428.432 3.767 0 40 IHAB CCN(Cc1ccccc1)C(=O)C1CCN(Cc2ccc(OC)c(OC)c2OC)CC1 4409771 DMQYAEWXDYMUSW-UHFFFAOYSA-N 426.557 3.973 0 40 IHAB O=C(O)c1ccc(S(=O)(=O)N2CCC(c3nc(-c4ccccc4Cl)no3)CC2)cc1 4411663 JDKXOXBJPNVLSA-UHFFFAOYSA-N 447.900 3.657 0 40 IHAB C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nc2ccccc2n1CC(=O)NC1CCCC1 4859108 ATARRUBNVODZFA-CALCHBBNSA-N 428.602 3.977 0 40 IHAB COCCNC(=S)N(Cc1ccc(F)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O 6301404 LCLSIYNBKBXACS-UHFFFAOYSA-N 427.545 3.807 0 40 IHAB CCSc1ncc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)n1 8612064 HJZPPRULPSQMLK-UHFFFAOYSA-N 440.978 3.669 0 40 IHAB Cc1ccc2cc(CN(Cc3ccco3)C(=S)NC[C@H]3CCCO3)c(=O)[nH]c2c1C 8686553 UHGNAYQNMWXNRW-LJQANCHMSA-N 425.554 3.794 0 40 IHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(OCC(=O)NCCc2ccccc2)cc1 9465532 HNKOLQTVVLDWRP-UHFFFAOYSA-N 438.549 3.640 0 40 IHAB CN(C)S(=O)(=O)c1cccc(C(=O)N2CCc3sccc3[C@@H]2c2ccccc2)c1 9477828 ITMXDRBKVLHWGM-NRFANRHFSA-N 426.563 3.786 0 40 IHAB O=C(COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)Nc1cc(F)ccc1F 9585434 YRZDJCSAQSFGES-UHFFFAOYSA-N 436.370 3.561 0 40 IHAB Cc1ccc(NC(=O)CS[C@@H](C)C(=O)OCC(=O)Nc2ccc3c(c2)CCC3)cc1 9634481 CSHXIUAZYRAKTK-INIZCTEOSA-N 426.538 3.726 0 40 IHAB COc1cc(-c2nnc(SCC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)o2)cc(OC)c1OC 9662398 JBIHSSCTJIOUBJ-GZBFAFLISA-N 435.546 3.795 0 40 IHAB O=C(CSc1nc2c(n1-c1ccccc1)CCCC2)N1CCN(c2ccc(O)cc2)CC1 9791813 NQAOALOMHXUGIM-UHFFFAOYSA-N 448.592 3.898 0 40 IHAB C[C@@H](NC(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1)c1ccc2c(c1)OCCO2 9814320 SGOGHVPDIXZLJA-OAHLLOKOSA-N 436.537 3.885 0 40 IHAB O=C(OCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(S(=O)(=O)N2CCCC2)cc1 9834787 KNZSITJUJNPNFG-UHFFFAOYSA-N 447.900 3.532 0 40 IHAB COc1ccc(OC)c(C(=O)C[C@@]2(O)C(=O)N(CCOc3ccccc3)c3ccccc32)c1 9926289 JBWZPYVHSWVTTQ-SANMLTNESA-N 447.487 3.590 0 40 IHAB CCOC(=O)c1c(-c2ccco2)csc1NC(=O)COc1ccc(C(=O)OC)cc1 10794836 VCCPPBPYGWWRMN-UHFFFAOYSA-N 429.450 3.989 0 40 IHAB COc1ccc(-c2cc3nc([C@@H](C)NC(=O)C4(c5cccc(F)c5)CC4)nn3cn2)cc1 12085133 SUZGTAIDIHTYQV-OAHLLOKOSA-N 431.471 3.848 0 40 IHAB CCn1c(CN2CCCCCC2=O)nnc1SCc1nc(-c2cccc(OC)c2)no1 12126260 JSMPSOIZUJJURR-UHFFFAOYSA-N 442.545 3.552 0 40 IHAB Cc1c(NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)c(=O)n(-c2ccccc2)n1C 12508091 UFENJWUAZNKEIP-UHFFFAOYSA-N 427.917 3.745 0 40 IHAB CS(=O)(=O)NCCc1ccc(C(=O)Nc2ccc(SCc3cccnc3)cc2)cc1 12558119 ZYLYNUFXIBTRGB-UHFFFAOYSA-N 441.578 3.718 0 40 IHAB Cc1cc(C)cc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@@H]2CCS(=O)(=O)C2)c1 12805882 LLFKQUKJXJMJRY-GOSISDBHSA-N 438.553 3.846 0 40 IHAB COC(=O)C[C@H](NC(=O)c1sc(-c2ccccn2)nc1C)c1ccc(OC)c(OC)c1 12866954 KHAVKMZPLAOYLV-INIZCTEOSA-N 441.509 3.565 0 40 IHAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(Cc2cc(Cl)c3c(c2)OCCO3)CC1 12913339 TTYMOUIPIPWEHS-UHFFFAOYSA-N 430.888 3.691 0 40 IHAB C[C@@H](OC(=O)c1cc(C2CC2)nn1-c1ccccc1)C(=O)Nc1ccc2c(c1)OCCO2 12980288 YPRDDIOPXFXYKZ-OAHLLOKOSA-N 433.464 3.705 0 40 IHAB C[C@H]1CN(Cc2csc(NC(=O)c3cc(Br)ccc3F)n2)C[C@@H](C)O1 13013992 AKNCWVSFHYCAIJ-PHIMTYICSA-N 428.327 3.906 0 40 IHAB CN(C)Cc1ccc(CNC(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)cc1 13027886 DEOBKCJUAMMUQM-UHFFFAOYSA-N 441.531 3.517 0 40 IHAB COc1ccc(NC(=O)[C@@H](C)Oc2cccc(C)c2)cc1S(=O)(=O)N1CCCCC1 13112440 WCDQVTYJXRQYRG-QGZVFWFLSA-N 432.542 3.584 0 40 IHAB COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)cc1 13121010 ZUPOZGLGHZNVAW-UHFFFAOYSA-N 436.533 3.983 0 40 IHAB Cc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1 13465151 UJYTYEUOUIBYAE-UHFFFAOYSA-N 425.510 3.989 0 40 IHAB COc1cc(OC)cc(C(=O)Nc2cc(Cl)ccc2N2CCN(C(=O)C(C)C)CC2)c1 14291138 RGQYRWPEOQUYIN-UHFFFAOYSA-N 445.947 3.914 0 40 IHAB C[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)c1ccc(-n2cncn2)cc1 14633364 VEODLXSUZNOANK-LLVKDONJSA-N 430.839 3.979 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NC[C@H](C)c2ccccc2)c1 14934532 GHPDPVIQESYRIP-IBGZPJMESA-N 443.613 3.851 0 40 IHAB COC(=O)c1ccc(N2C(=O)C[C@H](N3CCC(Cc4ccc(Cl)cc4)CC3)C2=O)cc1 15084312 VQWUFVLURLMOBH-NRFANRHFSA-N 440.927 3.713 0 40 IHAB CCCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc21 15781386 NUAFRLGICQYGCQ-UHFFFAOYSA-N 428.963 3.633 0 40 IHAB COc1ccccc1N(CC(=O)N1CCCc2ccccc21)S(=O)(=O)c1cccs1 16694944 CWKCBTKIJOCJFQ-UHFFFAOYSA-N 442.562 3.931 0 40 IHAB Cc1cc(CNC(=O)Cn2cc(C(=O)c3ccc(F)cc3)c3ccnc(Cl)c32)on1 19120419 XTXUUFPCTIDFKH-UHFFFAOYSA-N 426.835 3.673 0 40 IHAB Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@@H]1CCCN(C(=O)CSc3nc(C)c(C)o3)C1)N2 19127972 WKFGQPJJQDQIHN-OWCLPIDISA-N 439.532 3.818 0 40 IHAB COc1cccc(CC(=O)N2CCC[C@@H]([C@@H]3C[C@H](C(F)(F)F)n4nc(C)cc4N3)C2)c1 19128059 ZRMMLAFSJOUMPV-NZSAHSFTSA-N 436.478 3.969 0 40 IHAB Cc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@H](O)c3ccc(NC(=O)C4CC4)cc3)CC1)O2 19219267 CWBYIGABAUUDPH-GOTSBHOMSA-N 436.552 3.728 0 40 IHAB CC(C)N1CCc2nc3cc([C@H]4CCCCN4C(=O)Cc4cccs4)nn3c(O)c2C1 19448059 JBLKIMWVVMNMBK-HXUWFJFHSA-N 439.585 3.559 0 40 IHAB COc1ccc(CC(=O)N2CCNC(=O)[C@@H](Cc3ccc(-c4ccccc4F)cc3)C2)cc1 19554257 CHRNJSVHCBBVLE-QFIPXVFZSA-N 446.522 3.861 0 40 IHAB Cc1cc(C)cc(O[C@H](C)C(=O)N2CCC[C@@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)c1 19569692 FBAAOHBZMNOHEU-ZAWLATJESA-N 433.503 3.591 0 40 IHAB Cc1ncc(C(=O)NC2CCCCC2)c([C@H]2CCCN2C(=O)COc2ccccc2F)n1 19766867 LEMKXAZQDDDVJB-HXUWFJFHSA-N 440.519 3.729 0 40 IHAB CCOc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 19860741 MRYSOGTYPAQDQB-QGZVFWFLSA-N 436.961 3.919 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)[C@H](C)Sc1ccc(C)cc1 20039185 SUJOOGMHIYWYRF-INIZCTEOSA-N 434.583 3.907 0 40 IHAB C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1)c1ccc(F)cc1 20110941 JQYAUPOQZXCVOT-WIYYLYMNSA-N 432.561 3.678 0 40 IHAB CS(=O)(=O)N(CC(=O)N[C@@H]1CCCc2ccccc21)c1cccc(Cl)c1Cl 20111084 YOVVXSGMLJJAOB-MRXNPFEDSA-N 427.353 3.953 0 40 IHAB O=C1COc2ccc(NC(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2N1 20405863 LSAVFPTYVANTBF-UHFFFAOYSA-N 442.519 3.957 0 40 IHAB COc1ccc(CC(=O)Nc2ccccc2C(=O)NCCc2ccc(OC)c(OC)c2)cc1 20763344 RMZYOEXIQCTOIP-UHFFFAOYSA-N 448.519 3.866 0 40 IHAB biogenic COc1ccc(NC(=O)CSc2nccnc2N2CCN(c3ccccc3)CC2)cc1 21657123 PAODZZQCLAWHDL-UHFFFAOYSA-N 435.553 3.543 0 40 IHAB CCCCc1nnc(NC(=O)c2cc(S(=O)(=O)NCc3ccco3)ccc2C)s1 22742869 BYSPLELZQFOPJG-UHFFFAOYSA-N 434.543 3.513 0 40 IHAB Cc1c(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)[nH]c2c1C(=O)CC(C)(C)C2 23819150 BEGCROLNFFZGJW-UHFFFAOYSA-N 434.462 3.854 0 40 IHAB COC(=O)c1cccc(S(=O)(=O)N2CCC(CCc3cc(OC)cc(OC)c3)CC2)c1 24468220 VUEFAZHBEOCRGN-UHFFFAOYSA-N 447.553 3.524 0 40 IHAB Cc1ccc(CSCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1 24607038 UQVRNQBIDBJPPI-SFHVURJKSA-N 438.640 3.507 0 40 IHAB CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)NCCNC(=O)c1ccco1 25923932 NDPHHEYSEJTATB-INIZCTEOSA-N 431.842 3.935 0 40 IHAB Cn1c(=O)n(C)c2cc(Sc3ccccc3)c(NS(=O)(=O)c3cccs3)cc21 28049162 CTBPQZNWAVNYEK-UHFFFAOYSA-N 431.564 3.891 0 40 IHAB Cc1ccc(C(=O)Nc2ccccc2C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NS(C)(=O)=O 29418167 MROHWGGXHUKHRO-HZPDHXFCSA-N 443.569 3.737 0 40 IHAB Cc1ccc([C@@H](NC(=O)CCC(=O)N2CC(=O)Nc3ccccc32)c2ccccc2)cc1 29882636 IXZISQDYQBXWLT-SANMLTNESA-N 427.504 3.966 0 40 IHAB CC[C@]1(C)Cc2nc3sc4c(=O)n(CC(=O)NC5CCCCC5)cnc4c3cc2CO1 32072658 IJWFTEWUVYXUPH-HSZRJFAPSA-N 440.569 3.697 0 40 IHAB Cc1ccc(NC(=O)Cc2nnc(SCC(=O)Nc3ccc(F)cc3C)n2C)cc1C 32579601 XZNPBEDSBNYALY-UHFFFAOYSA-N 441.532 3.791 0 40 IHAB Cc1cccc(N2C(=O)C[C@@]3(CSc4[nH]c(=O)sc4[C@H]3c3ccccc3O)C2=O)c1 32594735 JQFGAWIBJBEFOV-VGSWGCGISA-N 438.530 3.638 0 40 IHAB Cc1noc(C)c1COc1ccc(CC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)cc1 32788517 PAYHUQTUJNGHLZ-UHFFFAOYSA-N 448.523 3.789 0 40 IHAB COC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@H]1c1ccc(OC)c(C)c1 32869168 WGOMAOYVGKEKKB-NRFANRHFSA-N 440.521 3.658 0 40 IHAB O=C(c1ccccc1I)c1cc2c(cc1NC(=O)C1CC1)OCCO2 39400733 KVQZIFOJPFKQIC-UHFFFAOYSA-N 449.244 3.642 0 40 IHAB Cc1ccc(Cl)cc1-n1ncc2c(=O)n(CC(=O)NCc3ccc(Cl)cc3)cnc21 57428344 IOOUWOGPROKQGJ-UHFFFAOYSA-N 442.306 3.514 0 40 IHAB O=C(Nc1ccccc1)[C@H]1CN(S(=O)(=O)c2ccccc2)c2cc(Cl)ccc2O1 64985655 ZQUFPWVNNGDUSP-HXUWFJFHSA-N 428.897 3.935 0 40 IHAB C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](C[C@H](O)[C@H]5C[C@@H](O)CC[C@@]54C)[C@@H]3CC[C@H]1[C@]2(C)O 70673654 IUKLSMSEHKDIIP-DMZHGTMBSA-N 431.661 3.678 0 40 IHAB biogenic COc1ccc2c(c1)N[C@@]1(COC3(CCN(C(=O)c4cccnc4C)CC3)C1)c1cccn1-2 72327304 MBWJOBRGYPQGAM-SANMLTNESA-N 444.535 3.905 0 40 IHAB COc1ccccc1CNC(=O)c1cnc([C@@H]2CCCN2C(=O)CC2CCCC2)nc1C 72345391 UHBJSQUUWAVXBX-NRFANRHFSA-N 436.556 3.967 0 40 IHAB O=C(NCc1ccc(Cl)cc1)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 89780768 NECBRAOTDAAGME-UHFFFAOYSA-N 444.896 3.800 0 40 IHAB Cc1cccnc1NC(=O)[C@@H]1CCCN(C(=O)CC2(C(F)(F)F)SCCS2)C1 95449096 GVZGYDUAXMUFLC-CYBMUJFWSA-N 433.521 3.696 0 40 IHAB O=C(Nc1ccc2c(c1)N(C(=O)c1ccco1)CC2)c1ccccc1S(=O)(=O)C(F)F 96098423 RAGSDJZXNASGTA-UHFFFAOYSA-N 446.431 3.731 0 40 IHAB CCS(=O)(=O)[C@@](Cl)(I)[C@@H](O)c1ccc(Cl)cc1Cl 96520177 MEDCRHZSDHPSSG-UWVGGRQHSA-N 443.517 3.789 0 40 IHAB COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)c1cc(C2CC2)nc2c1c(C)nn2C 108634543 XJLOKJCVMXUKJT-IBGZPJMESA-N 434.540 3.984 0 40 IHAB CC[C@H](NC(=O)[C@@H](C)N(c1cc(OC)ccc1OC)S(C)(=O)=O)c1ccc(C)c(C)c1 220223387 BHTZKCMLFQTTGR-XLIONFOSSA-N 448.585 3.743 0 40 IHAB CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN1C(=O)c2cccc3cccc1c23 223661024 UNRQNNGXKYJXIX-SFHVURJKSA-N 429.520 3.662 0 40 IHAB O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(Cl)cc1Cl 224275246 XYCKBPMUXIATLL-UHFFFAOYSA-N 443.352 3.587 0 40 IHAB CCN(Cc1ccc(C(=O)NCCCN2CCCCC2)cc1)S(=O)(=O)c1ccccc1 224449434 TVTRTGYSOOLMAL-UHFFFAOYSA-N 443.613 3.503 0 40 IHAB COc1ccc(CCC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NCC(C)C)cc1OC 224509486 WMEFSXOJBJLXOO-FQEVSTJZSA-N 440.584 3.868 0 40 IHAB CC[C@H](NC(=O)CN(c1cccc(SC)c1)S(C)(=O)=O)c1ccc(OC)c(C)c1 225325063 XCPJJIDCKLLZRJ-IBGZPJMESA-N 436.599 3.759 0 40 IHAB COc1cc(N)cc(Br)c1NC(=O)c1ccc(I)cc1 227146770 VWPIPNJNNYQQNQ-UHFFFAOYSA-N 447.070 3.897 0 40 IHAB COc1ccc(CN2CCc3nc([C@@H]4CCCN4C(=O)C[C@@H]4C=CCC4)nc(O)c3C2)cc1 247908838 UBWKYTZCKVZNMI-JPYJTQIMSA-N 448.567 3.769 0 40 IHAB CC(C)S(=O)(=O)c1ccc(CC(=O)N2CCC(Oc3ccncc3Cl)CC2)cc1 253473475 VGVSSLRZTWIOAU-UHFFFAOYSA-N 436.961 3.530 0 40 IHAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1Cl 408552265 KWTNRIGDGVMKDG-SECBINFHSA-N 437.732 3.961 0 40 IHAB CCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3OC)CC2)cc1 408555368 APZWVEXIIVHRAN-UHFFFAOYSA-N 436.961 3.950 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)N[C@H](C)CCc2ccccc2)C1 408583249 GPWDZAQCCIYMMU-CTNGQTDRSA-N 444.597 3.542 0 40 IHAB CCCCOC(=O)c1ccc(N2C[C@H](C(=O)O[C@@H](C)C(=O)c3ccccc3)CC2=O)cc1 408637394 JURIAPLSGKXWSX-FXAWDEMLSA-N 437.492 3.811 0 40 IHAB CCOc1cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)ccc1OCC(=O)O 408780434 YIUQAQSXTRQSRD-BHSBJAHRSA-N 428.510 3.711 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3c(F)cccc3F)C2)cc1Cl 409393416 WJTLQAOURMTLDY-LBPRGKRZSA-N 444.887 3.666 0 40 IHAB O=C(N1CC[C@H](c2ccccc2Cl)S(=O)(=O)CC1)C1(c2ccccc2)CCOCC1 575414664 IANMBOWHIYJXSW-OAQYLSRUSA-N 447.984 3.777 0 40 IHAB COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)c1c(-n2cnnn2)sc2c1CCC2 583652535 VQVTWRZJEXMZHM-QGZVFWFLSA-N 434.525 3.510 0 40 IHAB CCOC(=O)c1c(NC(=O)CCCN2C(=O)c3ccccc3C2=O)sc2c1CCCC2 1103757 GNYVFMOQNBTOML-UHFFFAOYSA-N 440.521 3.819 0 40 IHAB COc1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(C)cc2)cc1OC 2454296 QTKQFZLKZDTWPJ-UHFFFAOYSA-N 435.509 3.872 0 40 IHAB COc1ccc(NC(=O)CSc2nc(N)c(C(=O)Nc3ccc(OC)cc3)s2)cc1 3013017 YFYCQDYTLSIZOG-UHFFFAOYSA-N 444.538 3.726 0 40 IHAB COc1cc(/C=C2\N=C(c3cc(OC)c(OC)c(OC)c3)OC2=O)ccc1OC(F)F 3323325 VIOVWORNBQBLQH-QPEQYQDCSA-N 435.379 3.667 0 40 IHAB COc1ccc(-n2c(SCC(=O)N3CCOCC3)nnc2-c2ccccc2)cc1Cl 3497156 ACVOSBFAEPFLKK-UHFFFAOYSA-N 444.944 3.547 0 40 IHAB O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1F)CCCC3)NC1CC1 3528851 ROAKKCZSGFOOQF-UHFFFAOYSA-N 429.542 3.836 0 40 IHAB O=C(OC[C@H]1CCCO1)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 4647762 LEXHJIOIWUTJOD-MRXNPFEDSA-N 440.315 3.586 0 40 IHAB C[C@@H](Sc1nc2ccccc2c(=O)n1CCCO)C(=O)c1ccc(Br)cc1 8752681 ZXLFJFZEZZQKGB-CYBMUJFWSA-N 447.354 3.905 0 40 IHAB COc1ccc(-c2cc(=O)oc3cc(OCC(=O)Nc4ccccc4C(N)=O)ccc23)cc1 8791568 CIBURMQMCDTOPH-UHFFFAOYSA-N 444.443 3.585 0 40 IHAB biogenic COC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 8861775 QJEAWVBEVRPRDM-OAHLLOKOSA-N 433.835 3.647 0 40 IHAB COc1ccc(N2C[C@@H](C(=O)Nc3nnc(SCc4ccccc4)s3)CC2=O)cc1 8908252 UDPWESIHGRTCEF-HNNXBMFYSA-N 440.550 3.831 0 40 IHAB COc1ccc(-c2coc3cc(OCC(=O)NCc4ccco4)ccc3c2=O)cc1OC 9053093 APATUGBCBUIXOL-UHFFFAOYSA-N 435.432 3.765 0 40 IHAB biogenic COc1ccc(Cl)cc1NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 9063780 YYUWEDUQMLEACZ-UHFFFAOYSA-N 438.933 3.784 0 40 IHAB O=C(OCc1ccc(Cl)cc1Cl)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 9587190 YPRFJSXEEPTBCP-UHFFFAOYSA-N 448.299 3.510 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)ccc1C 9644296 RHVNKHSSYZPGFR-CQSZACIVSA-N 447.582 3.711 0 40 IHAB COc1ccc(S(=O)(=O)NC[C@H](c2cccs2)N2CCc3ccccc32)cc1OC 9708243 ZEHWZVFNEZCSRA-LJQANCHMSA-N 444.578 3.848 0 40 IHAB CC(=O)c1ccc(NC(=O)Cn2c(-n3nc(C)cc3C)nc(-c3ccccc3)cc2=O)cc1 9761578 MEKHBNAMTFGAJJ-UHFFFAOYSA-N 441.491 3.554 0 40 IHAB CCCCOc1ccc(S(=O)(=O)NCCOc2ccc(-c3ccc(F)cc3)nn2)cc1 9852874 YPHWZHNPFUIBKM-UHFFFAOYSA-N 445.516 3.819 0 40 IHAB CCc1nnc2sc(-c3ccc(OC)c(NC(=O)c4cc(OC)cc(OC)c4)c3)nn12 10010227 PPMQJMUBIOZEDQ-UHFFFAOYSA-N 439.497 3.693 0 40 IHAB O=C(CC(c1ccccc1)c1ccccc1)Nn1cnc2c(cnn2-c2ccccc2)c1=O 10034420 GMVUHKXLHDQTHN-UHFFFAOYSA-N 435.487 3.875 0 40 IHAB CCOC(=O)c1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c1 10441579 ADUIQQALPGQBJZ-UHFFFAOYSA-N 430.526 3.599 0 40 IHAB Cc1cc2occ(CC(=O)NCc3ccc(S(=O)(=O)N4CCCC4)s3)c2cc1C 10688778 NKLSRQPQPMKSPP-UHFFFAOYSA-N 432.567 3.755 0 40 IHAB CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)C(c1ccccc1)c1ccccc1 10998527 CSGFIEDBBNBKSZ-UHFFFAOYSA-N 436.577 3.963 0 40 IHAB COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CSc1nccn1-c1ccc(C)c(C)c1 11211550 QYTQNHDFDBEWAS-OAQYLSRUSA-N 435.549 3.708 0 40 IHAB Cc1ccc(F)cc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 11652591 XPCVOEWBJVQJSI-QGZVFWFLSA-N 441.322 3.688 0 40 IHAB CN(C)[C@H](CNC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)c1ccco1 12767629 HAQMZDPDJKWFFA-LJQANCHMSA-N 447.944 3.767 0 40 IHAB CCOC(=O)N1CCN(Cc2nc3sc(C)c(-c4ccc(C)cc4)c3c(=O)[nH]2)CC1 12813480 ZBPGQOBAMOIBNE-UHFFFAOYSA-N 426.542 3.543 0 40 IHAB CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)NCCOc2ccc3ccccc3c2)c1 12947428 VVQUABZZHXFVNA-UHFFFAOYSA-N 446.956 3.989 0 40 IHAB O=C(c1ccc2c(c1)CCC2)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 12993495 JIAWLOHDVHNHRR-UHFFFAOYSA-N 439.364 3.629 0 40 IHAB CCc1ccc(-c2csc(NC(=O)[C@@H](C)OC(=O)CNC(=O)c3cccs3)n2)cc1 13100461 BRRZZAILDWKMDI-CYBMUJFWSA-N 443.550 3.734 0 40 IHAB CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)O)[C@@H]2C(=O)Nc1sccc1C(=O)NCc1ccco1 13323998 IEZTXZCSFNOOQM-LTCOOKNTSA-N 428.510 3.903 0 40 IHAB COc1ccccc1Oc1c(C)oc2cc(OCC(=O)NC[C@@H]3CCCO3)ccc2c1=O 13551690 NJANLFZRLAKFBR-KRWDZBQOSA-N 439.464 3.576 0 40 IHAB CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)c1c(OC)cccc1OC 13630046 RGKGTDYAGUCBCA-UHFFFAOYSA-N 428.441 3.631 0 40 IHAB CC(=O)Nc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)cc1 13679810 KZEJNRXOLHDVJS-UHFFFAOYSA-N 429.523 3.784 0 40 IHAB COCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)cs/c1=N\c1ccccc1 13768944 KWQTVZAGGAAAMH-DQRAZIAOSA-N 431.583 3.736 0 40 IHAB Cc1ccccc1CN1CCN(c2ccc(S(=O)(=O)N(C(C)C)C(C)C)cn2)CC1 14232096 OXESASXZMBVTDS-UHFFFAOYSA-N 430.618 3.520 0 40 IHAB COc1ccc(S(=O)(=O)N(Cc2c(F)cccc2Cl)C2CC2)cc1NC(C)=O 14242044 YTZPSAYUTOYGBT-UHFFFAOYSA-N 426.897 3.799 0 40 IHAB COc1ccccc1[C@H](C)NC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 15472083 IQOPOUBGIFZUIL-SFHVURJKSA-N 430.570 3.680 0 40 IHAB O=C(CSC1=NS(=O)(=O)c2ccccc2N1Cc1ccccc1)N1CCCCCC1 15827225 HPLAIBJHUHTYFZ-UHFFFAOYSA-N 443.594 3.887 0 40 IHAB O=S(=O)(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc2ccccc2c1 16124244 NCTIIOSJDPGSME-UHFFFAOYSA-N 430.551 3.815 0 40 IHAB Cc1ccc2[nH]cc(CCN[C@@H]3CC(=O)N(c4ccc(Br)cc4)C3=O)c2c1 18088239 AQDDUKJWFBQPCA-LJQANCHMSA-N 426.314 3.703 0 40 IHAB C[C@@H](Oc1ccccc1F)C(=O)N1CCC[C@H](c2nc3ccc(F)cc3cc2C(N)=O)C1 19078333 LLKZMRKCEMMCNZ-CABCVRRESA-N 439.462 3.785 0 40 IHAB CCCN1CCN(Cc2nccn2CC)C[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O 19502952 BFMWWJJUYQUMPU-XMMPIXPASA-N 431.584 3.878 0 40 IHAB CCc1ncc(CN2CC[C@](Cc3ccc(-c4cccnc4)cc3)(C(=O)N(C)C)C2)cn1 19523319 NXERKRHNRITEEV-AREMUKBSSA-N 429.568 3.624 0 40 IHAB Cc1nc([C@@H]2CCN(C(=O)C(C)(C)C)C2)nc2c1CCC(=O)N2CCc1ccccc1F 19739175 AKIGKKKIWOSXSW-GOSISDBHSA-N 438.547 3.808 0 40 IHAB COc1ccccc1CCCNC(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 22374121 ZRQHJGCHYUYAPS-UHFFFAOYSA-N 432.586 3.508 0 40 IHAB CCOc1ccc(C(=O)N(CCN2CCOCC2)c2nc3c(F)cc(F)cc3s2)cc1 22998593 WYNYBYSLXKWKRZ-UHFFFAOYSA-N 447.507 3.952 0 40 IHAB CNC(=O)c1ccc(CN(C(=O)COc2ccc(Br)cc2F)C2CC2)cc1 23041968 RPMBHXVMAVWNKM-UHFFFAOYSA-N 435.293 3.518 0 40 IHAB Cc1ccc2cc(CN3CCN(c4ccccc4Cl)CC3)c(=O)n(CCN(C)C)c2c1 23159287 INJKEOOQINNYOP-UHFFFAOYSA-N 439.003 3.847 0 40 IHAB Cc1cc2occ(CC(=O)NCCCN3CCN(c4ncccn4)CC3)c2cc1C(C)C 23894333 QPPROFVORNGLRX-UHFFFAOYSA-N 435.572 3.526 0 40 IHAB CC(C)n1ncc2c(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc(C3CC3)nc21 23935135 KZHZNUGKXPIMAR-UHFFFAOYSA-N 447.539 3.576 0 40 IHAB Cc1cccc(C)c1-n1c(-c2ccccc2)cnc1SCC(=O)N1CCC[C@H](C(N)=O)C1 24144580 WQQHAJIZKFKPFG-FQEVSTJZSA-N 448.592 3.972 0 40 IHAB CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)c1 24153124 OQIDTUBUZJHHHV-UHFFFAOYSA-N 428.466 3.592 0 40 IHAB Cc1nc(SCC(=O)Nc2ccc(Br)cc2Cl)sc1CC(N)=O 24902321 JOSSBZJCRIDPFE-UHFFFAOYSA-N 434.768 3.626 0 40 IHAB C[C@H](Nc1cccc(-c2nnc3n2CCCCC3)c1)C(=O)NCc1ccc2c(c1)OCO2 24971555 ZIQNBYZDXUEAFO-INIZCTEOSA-N 433.512 3.517 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCCc3nc4ccccc4s3)CC2)s1 25777999 VPCLRGIYRXCMPF-UHFFFAOYSA-N 449.623 3.522 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)CCc2cccs2)c1 32674224 OWRLYBLSJVOMLS-UHFFFAOYSA-N 435.615 3.950 0 40 IHAB Cc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1C 32903689 KVMBYGUGSPGPDW-UHFFFAOYSA-N 436.493 3.526 0 40 IHAB CC(=O)c1ccccc1OCCOC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1 32947308 REXNIYNHOOKTNM-QGZVFWFLSA-N 445.537 3.688 0 40 IHAB CC(C)C(=O)Nc1ccc2[nH]cc([C@@H](C(=O)O)N3CCN(Cc4ccccc4)CC3)c2c1 36354316 BHMQGRUGVXIJQN-QHCPKHFHSA-N 434.540 3.706 0 40 IHAB CSc1ccc(N2C[C@H](C(=O)Nc3cccc(OCCn4ccnc4)c3)CC2=O)cc1 40134886 QCHMTURDSJSYEJ-QGZVFWFLSA-N 436.537 3.676 0 40 IHAB Cc1cc(C)c(NC(=O)Cn2nc3c(Sc4cccc(F)c4)nccn3c2=O)c(C)c1 49009123 BEEOZVZKEFNXOT-UHFFFAOYSA-N 437.500 3.745 0 40 IHAB CCOc1cccc2c1OCC(C(=O)N[C@H]1CCN(c3cc(Cl)ccc3OC)C1)=C2 58341646 ILMJFYWXBMJZQX-SFHVURJKSA-N 428.916 3.918 0 40 IHAB Cc1c(C(=O)NCc2ccc(-n3cncn3)cc2)cnn1-c1cccc(C(F)(F)F)c1 60827883 IZTDTKBFCDXVPX-UHFFFAOYSA-N 426.402 3.710 0 40 IHAB O=C(NCc1nc(Cc2ccccc2)no1)c1nc(Cc2c(Cl)cccc2Cl)no1 61721192 GWGZYJILIWEYIS-UHFFFAOYSA-N 444.278 3.871 0 40 IHAB COc1ccc(Cl)cc1/N=c1\oc2cc(O)ccc2cc1C(=O)NC[C@@H]1CCCO1 67298839 XDHNZPMKDYQNGK-NOAXNCOGSA-N 428.872 3.942 0 40 IHAB CSc1ccc([C@@H]2NC(=O)N(CC(=O)Nc3c(C)cccc3C)C3=C2C(=O)OC3)cc1 71326838 RJMIATZBNGSSJI-NRFANRHFSA-N 437.521 3.541 0 40 IHAB Nn1c(SCc2cccc(Br)c2)nc2ccc(Br)cc2c1=O 71327690 RKZCTDIMMDEVPF-UHFFFAOYSA-N 441.148 3.928 0 40 IHAB O=S(=O)(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1ccc2ccccc2c1 72312998 HMIJJADELVJFTN-UHFFFAOYSA-N 445.547 3.898 0 40 IHAB Cc1cccc(C(=O)N2CCCC[C@@H]2c2nc(O)c3c(n2)CCN(Cc2cccnc2)C3)c1 72330612 UJQBPEWQTVZMIQ-HSZRJFAPSA-N 443.551 3.811 0 40 IHAB Cc1sc2nc(C3CC3)n(C3CCN(CC(=O)N4CCCCC4)CC3)c(=O)c2c1C 72335681 BOZWMFLXVYUZOQ-UHFFFAOYSA-N 428.602 3.602 0 40 IHAB CC(C)Oc1cc(CCC(=O)N2CC[C@@H](c3c(C(N)=O)sc4ccccc34)C2)on1 72352167 SXAPYGBZXIVIEA-CQSZACIVSA-N 427.526 3.724 0 40 IHAB COc1c(C)cccc1C(=O)N1CC[C@@H](c2c(C(=O)NCCO)sc3ccccc23)C1 72352269 OLAOINAHYMDUSI-MRXNPFEDSA-N 438.549 3.570 0 40 IHAB CC(C)c1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)[C@@H](C)n4cncn4)C3)noc2n1 72390251 BOXPSPKIXWZYSH-CHWSQXEVSA-N 436.438 3.924 0 40 IHAB CCCOc1ccc(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)cc1OCCC 72414183 SCABQUUPLGLESI-UHFFFAOYSA-N 437.558 3.802 0 40 IHAB COc1ccccc1-n1cc(C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)c2ccccc2c1=O 79191994 TVPITNPTTHVGCW-WMZHIEFXSA-N 445.563 3.994 0 40 IHAB biogenic CC[C@@](C)(COc1ncccc1Cl)NCC(=O)NCCc1nc2ccccc2s1 89942110 LLAUDMMFJOASRJ-NRFANRHFSA-N 432.977 3.841 0 40 IHAB COc1cc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3[C@H]2CCOC(C)(C)C2)cc2c1OCCO2 96116695 HQCVEUCMFQVRRG-IFXJQAMLSA-N 445.541 3.972 0 40 IHAB CCC(=O)N1CCc2nc3cc([C@H]4CCCCN4Cc4cccs4)nn3c(O)c2C1 100233972 ACAIVDVRZXRNHL-LJQANCHMSA-N 425.558 3.518 0 40 IHAB C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)CC1 106272125 QBERBYZWXQXSDY-YWZLYKJASA-N 438.915 3.599 0 40 IHAB CC[C@H](C(=O)Nc1cccc(C(C)=O)c1)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 222495090 ZPHLLYNXOHZQCV-QGZVFWFLSA-N 438.933 3.735 0 40 IHAB CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)COc1ccc(OC)cc1 222561937 RBTWXPCIKQPRQI-AUSIDOKSSA-N 426.557 3.839 0 40 IHAB CCCSc1nnc(NC(=O)CCCN(c2cc(C)cc(C)c2)S(C)(=O)=O)s1 222962492 BTPVRQUIAOHAKX-UHFFFAOYSA-N 442.632 3.842 0 40 IHAB CC(C)Oc1cccc(N(CC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)c1 223234274 SHKPXRIFAXSFIB-KRWDZBQOSA-N 430.570 3.606 0 40 IHAB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(Cc2ccco2)c1C 223681486 BMIUYGFLLPNTBZ-YADHBBJMSA-N 438.553 3.677 0 40 IHAB C[C@H](COc1ccccc1)NC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(F)cc2)c1 224178992 IYTQJFWXSJHRKL-QGZVFWFLSA-N 442.512 3.848 0 40 IHAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccco2)ccc1NS(C)(=O)=O 225444157 CCYNQOVZKKRCPP-OALUTQOASA-N 428.539 3.532 0 40 IHAB Cc1ccc2nc(C(=O)N3CCC[C@@H](CC(=O)NCc4ccc5c(c4)CCCO5)C3)cn2c1 257211696 BZYXZIDIQDYXPU-FQEVSTJZSA-N 446.551 3.526 0 40 IHAB Cc1ccc(NC(=O)CN2CCC3(CC2)CN(S(=O)(=O)CC(C)C)CC(C)(C)C3)cc1 257272334 NCAQVRUHXYRVKN-UHFFFAOYSA-N 449.661 3.733 0 40 IHAB CS(=O)(=O)N(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Cc1ccc(F)cc1 408625110 VLZJMWKAJSISOZ-UHFFFAOYSA-N 438.830 3.898 0 40 IHAB Cc1cc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc(C)c1Br 408648008 WJUCZUVFBVYAPB-OAHLLOKOSA-N 445.313 3.601 0 40 IHAB Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3c(C)cccc3C)C2)ccc1N1C(=O)CCCC1=O 408669713 RUYZHINXQDRXRV-GOSISDBHSA-N 434.492 3.614 0 40 IHAB Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)ccc1N1C(=O)CCCC1=O 408674535 ZZTJKQWEADIXEV-OAHLLOKOSA-N 440.883 3.650 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3F)c(C)c2)cc1 408675318 HKPVCFXJHASIDD-UHFFFAOYSA-N 444.484 3.961 0 40 IHAB COCCNC(=O)c1nc(-c2ccc(Br)cc2)n(-c2ccc(C)cc2C)n1 408691974 AETHFDCQLDWBCO-UHFFFAOYSA-N 429.318 3.690 0 40 IHAB Cc1cccc(-n2c(CCc3ccccc3)nnc2SCC(=O)NC[C@H]2CCCO2)c1 409203469 WMXMELRRKHDYDL-OAQYLSRUSA-N 436.581 3.748 0 40 IHAB COC(=O)C[C@@H](c1ccc(-c2ccccc2)o1)c1c(O)cc(C)n(CCc2cnc[nH]2)c1=O 604418780 CNGKYJYDNOYPIF-IBGZPJMESA-N 447.491 3.783 0 40 IHAB COC(=O)c1cc(NC(=O)N2CCC(COc3ccccc3C(F)(F)F)CC2)nn1C 1674229782 IXZHIKRVXREWSG-UHFFFAOYSA-N 440.422 3.548 0 40 IHAB Cc1nc2ccccc2c(=O)n1CC1CCN(C(=O)c2ccc(C(F)(F)F)nc2)CC1 1888890849 FFUPOAGGPQWEDD-UHFFFAOYSA-N 430.430 3.671 0 40 IHAB COc1ccc2[nH]c(=O)c(CN(Cc3nnnn3Cc3ccccc3)C3CCCC3)cc2c1 927844 QBPFBDOOMADZPL-UHFFFAOYSA-N 444.539 3.516 0 40 IHAB COC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1CC(=O)N1CCc2ccccc2C1 1353752 AVBWEHIFYXOFDY-UHFFFAOYSA-N 431.467 3.943 0 40 IHAB CC[C@H](C)N1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc(OC)cc2OC)C1=O 2156786 LCDZIVQXIKMJTE-HHCYOLOASA-N 447.535 3.669 0 40 IHAB biogenic CCN(CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(OC)c(OC)c1 2405616 LZDCYYMRLODENZ-JOCHJYFZSA-N 436.508 3.697 0 40 IHAB Cc1cccc(C(=O)NCCC(=O)Nc2nc(C)c(Cc3ccc4c(c3)OCO4)s2)c1 3326907 PMACCOZRMMLOLL-UHFFFAOYSA-N 437.521 3.838 0 40 IHAB O=C(COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1)c1ccc(OC(F)F)cc1 3332929 CPTZQCBPVOGTHB-SFHVURJKSA-N 443.402 3.648 0 40 IHAB COc1cc(C(=O)Nc2ccc(N3CCOCC3)cc2)ccc1OCc1c(C)noc1C 3359622 UHTFSXXQPRYNOW-UHFFFAOYSA-N 437.496 3.968 0 40 IHAB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)NCc2ccc(Cl)cc2Cl)c1C 3483686 NAINBTRRVFEKMN-UHFFFAOYSA-N 427.284 3.588 0 40 IHAB CCOC(=O)C1CCN(C(=O)C2(NC(=O)Nc3ccccc3Cl)CCCCC2)CC1 4400118 NMPHEYNOLHJYDQ-UHFFFAOYSA-N 435.952 3.966 0 40 IHAB O=C(CN1c2ccc(Br)cc2-c2ccccc2S1(=O)=O)N1CCCCC1 8654697 ZGHOFWOKXCXRNK-UHFFFAOYSA-N 435.343 3.637 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)COc2ccccc2-3)cc1 8879171 JRBJUNJAFUEPJE-UHFFFAOYSA-N 443.550 3.985 0 40 IHAB Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)c(C)n1Cc1ccccc1 8897368 BOEDCQYIXGOQJR-AREMUKBSSA-N 443.503 3.566 0 40 IHAB Cc1cc(C)cc(NC(=O)CSc2cn(CC(=O)N3CCOCC3)c3ccccc23)c1 9118355 QEVQYZXZUFYFBQ-UHFFFAOYSA-N 437.565 3.848 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NCC(=O)N[C@H](C)c1ccccc1 9157511 JHIDRSJWWWMJDF-GOSISDBHSA-N 445.585 3.549 0 40 IHAB NC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 9309294 NBHYIDGRRVSMFR-UHFFFAOYSA-N 429.505 3.764 0 40 IHAB CN(c1ccc(OCC(=O)N2CCc3ccccc32)cc1)S(=O)(=O)c1cccs1 9548699 BDWJOKSRHFJUHT-UHFFFAOYSA-N 428.535 3.541 0 40 IHAB O=C(Nc1ccc(N2CCOCC2)cc1)c1nn(Cc2ccccc2)c(=O)c2ccccc12 9703472 BQIOHIPRMLCRLH-UHFFFAOYSA-N 440.503 3.534 0 40 IHAB O=C(CN1CCC[C@H]1c1nc2ccccc2s1)NC(=O)Nc1ccc2c(c1)OCCO2 9711762 SMBHCARSVKWSSQ-INIZCTEOSA-N 438.509 3.553 0 40 IHAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(-c2ccncc2)n1C1CC1 9953048 FUNJOQGYBUMHDQ-AWEZNQCLSA-N 434.525 3.531 0 40 IHAB COc1ccc(/C=C/C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1OC 9990051 GJTVCNZKKYSPDP-XBXARRHUSA-N 437.492 3.610 0 40 IHAB Cc1c(C)n2c3c(=O)n(Cc4ccc(F)cc4)c(=O)n(C)c3nc2n1[C@@H](C)c1ccccc1 10104171 NGLZWZVSWDQKJX-KRWDZBQOSA-N 445.498 3.563 0 40 IHAB Cc1ccc(-c2csc3ncn(CC(=O)c4ccc5c(c4)NC(=O)CO5)c(=O)c23)cc1 10275387 AODHJQWOHXKVHC-UHFFFAOYSA-N 431.473 3.647 0 40 IHAB COc1cc(CC(=O)NC[C@@H](C)c2nc3ccccc3n2C(F)F)cc(OC)c1OC 10639261 SVIZCUFKICHOOM-CYBMUJFWSA-N 433.455 3.920 0 40 IHAB O=C(CSc1nnc(N2CCCC2)n1C1CC1)Nc1cc2c(cc1Cl)OCCCO2 11825419 DJSADAQRRLTGBE-UHFFFAOYSA-N 449.964 3.759 0 40 IHAB COC(=O)C1=C(C)N(C2CCCCC2)C(=O)[C@@]1(NC(=O)C1CCCCC1)C(F)(F)F 12402667 KHAGNADXVFEGOW-HXUWFJFHSA-N 430.467 3.606 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCN([C@@H](C)C(=O)c3c(C)[nH]c4ccccc34)CC2)cc1 12683587 JJQBFNOSOXIFGQ-IBGZPJMESA-N 439.581 3.753 0 40 IHAB Cc1sc2nc(SCC(=O)NC(=O)NCC(C)C)n(C3CCCC3)c(=O)c2c1C 12820483 HNIYPSVATTUKDX-UHFFFAOYSA-N 436.603 3.764 0 40 IHAB CCOC(=O)Nc1ccc2c(Cn3nnc(-c4ccc(Cl)cc4)n3)cc(=O)oc2c1 13139300 JZPFUJMSJJFLMB-UHFFFAOYSA-N 425.832 3.717 0 40 IHAB COc1ccccc1[C@@H]1N=C(N2CCC(Cc3ccccc3)CC2)Nc2nc(C)cc(=O)n21 13637305 KUUYSFDILVBILD-XMMPIXPASA-N 443.551 3.843 0 40 IHAB Cc1ccc(Cl)cc1N(CCCC(=O)NCCSCc1ccco1)S(C)(=O)=O 13677058 BPVSHCISJGYRJY-UHFFFAOYSA-N 445.006 3.837 0 40 IHAB C[C@H](N[C@@H](C)c1cccc2ccccc12)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 15517238 JJOQRSYLLLZIIY-IRXDYDNUSA-N 425.554 3.768 0 40 IHAB O=C(CN1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21)Nc1ccccc1C(F)(F)F 15545982 BPVCOMPQVSUFNU-FQEVSTJZSA-N 447.457 3.924 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(Cl)cc1F 15588488 FOBRTRKTZZHAOQ-UHFFFAOYSA-N 426.897 3.915 0 40 IHAB Cc1cc(S(=O)(=O)NCCc2csc3nc(-c4ccccc4F)nn23)ccc1F 15783954 YFBJHUOFQQHBOZ-UHFFFAOYSA-N 434.493 3.565 0 40 IHAB O=S(=O)(Nc1cccc(-c2cn3cccnc3n2)c1)c1ccc(Br)cc1 17155262 MOZVQSPTUWJONT-UHFFFAOYSA-N 429.299 3.960 0 40 IHAB Cc1nc(S[C@H](C)C(=O)N2c3ccccc3NC(=O)C2(C)C)n(C[C@H]2CCCO2)c1C 18596568 PYLCSIFIFKWVBA-IAGOWNOFSA-N 442.585 3.923 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)c2cc(C)c(C)c(S(=O)(=O)N(C)C)c2)cc1 19171515 UBMGMTYCNHYNOG-UHFFFAOYSA-N 432.542 3.763 0 40 IHAB Cc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@@H](O)c3ccc(NC(=O)C4CC4)cc3)CC1)O2 19219264 CWBYIGABAUUDPH-XZOQPEGZSA-N 436.552 3.728 0 40 IHAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CC[C@H](c2nnc(-c3ccsc3)o2)C1 19331042 AOULTTXUAUDAMM-NSHDSACASA-N 429.445 3.995 0 40 IHAB Nc1c(C(=O)C2CCN(Cc3cccnc3)CC2)cnn1-c1ccc(OC(F)(F)F)cc1 19338914 CRPACISLNGPDDT-UHFFFAOYSA-N 445.445 3.843 0 40 IHAB O=C(NCCn1ncc(-c2ccncc2)c1-c1ccccc1F)c1cc(C(F)(F)F)[nH]n1 19368275 SMXFBRLQWCCMNH-UHFFFAOYSA-N 444.392 3.923 0 40 IHAB CC1(C)CC(N(Cc2ccncc2)Cc2ccc(CN3CCOCC3)o2)CC(C)(C)N1 19461045 WQELSRJHSBZTOL-UHFFFAOYSA-N 426.605 3.818 0 40 IHAB CCCc1cc(C(=O)N2CCNC(=O)[C@H](Cc3ccc(-c4ccccc4F)cc3)C2)no1 19525354 CRFAZNDPDGPHCQ-LJQANCHMSA-N 435.499 3.864 0 40 IHAB CCOc1ccc(CCC(=O)N2CCC(c3cc(C(F)F)n4ncnc4n3)CC2)cc1 19533088 RCMGPWMOMAKNTD-UHFFFAOYSA-N 429.471 3.799 0 40 IHAB COc1cc(NC(=S)NC(=O)Cc2ccccc2)ccc1N1C(=O)c2ccccc2C1=O 19643410 ZRFKYQYULAHERC-UHFFFAOYSA-N 445.500 3.552 0 40 IHAB Cn1cc(CN2CCO[C@@H](c3ccc(-c4cccc(C(N)=O)c4)cn3)C2)c2ccccc21 19693638 LQWPXXPAOLNSNB-RUZDIDTESA-N 426.520 3.913 0 40 IHAB CC1CCN(C(=O)CN2CCC[C@@H](c3nc(N(C)C)ncc3-c3cccc(F)c3)C2)CC1 19694659 HBBDZKAHBPQJIA-HXUWFJFHSA-N 439.579 3.787 0 40 IHAB COc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)COc1cccc(C)c1 20153695 DLDBGAUAJYKSCR-UHFFFAOYSA-N 426.494 3.648 0 40 IHAB CCc1ccccc1N(CC(=O)NCCSCc1ccccc1Cl)S(C)(=O)=O 20236828 RKWIHZGEWSMWLO-UHFFFAOYSA-N 441.018 3.718 0 40 IHAB CCOc1ccc(N(CC(=O)NCc2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 20456894 AWBOBFRRLAOGNM-UHFFFAOYSA-N 442.512 3.736 0 40 IHAB O=C(COC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)Nc1ccc(Oc2ccccc2)cc1 21637598 SFGFKWOYXZVRNO-KRWDZBQOSA-N 434.448 3.602 0 40 IHAB COc1ccc2cc(CN(C)C(=O)CN3C(=O)[C@H](C)N(c4ccccc4)C3=O)ccc2c1 21932415 RFEYDVMYEAXQDB-KRWDZBQOSA-N 431.492 3.664 0 40 IHAB CNS(=O)(=O)c1cc(C(=O)N(C)Cc2ccccc2N2CCCCC2)ccc1Cl 24988039 MFRFDMFAVDEWBV-UHFFFAOYSA-N 435.977 3.511 0 40 IHAB O=C(C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)N1CCC[C@H]1c1cccnc1 31942071 IHDWMBWAQDTWKT-DEOSSOPVSA-N 449.576 3.999 0 40 IHAB Cc1ccc(S(=O)(=O)NCCC(=O)NCc2ccc(-c3ccc(O)cc3)cc2)cc1C 32748528 ZTNZZIBDLXRGNC-UHFFFAOYSA-N 438.549 3.661 0 40 IHAB Cc1ccc(C(=O)[C@@H]2[C@H](c3ccc(Cl)cc3)NC(=S)N[C@]2(O)C(F)(F)F)cc1 36387046 CXTLQMTZCXJYPB-RLFYNMQTSA-N 428.863 3.917 0 40 IHAB CC[C@@H](CCNC(=O)c1cc(-c2ccc(OC)cc2)nc2c1c(C)nn2C)n1cccn1 36617021 PXJCUXLKBHRXJL-SFHVURJKSA-N 432.528 3.920 0 40 IHAB COc1cccc(N(CC(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)S(C)(=O)=O)c1 38754471 UWUZVCCFLCGMLT-XMMPIXPASA-N 438.549 3.675 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)Cc3ccc(Cl)s3)C2)s1 40047640 KYKOMXCTEPZRCJ-CYBMUJFWSA-N 433.020 3.831 0 40 IHAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ncnc4sccc34)cc2)C1 44272999 ITEUKUJKJGEHBI-KBPBESRZSA-N 430.555 3.610 0 40 IHAB Cc1cccc(NC(=O)c2ccc3nn(CC(=O)Nc4ccc(C)c(Cl)c4)c(=O)n3c2)c1 48986743 NSVGFVKDGDOAMS-UHFFFAOYSA-N 449.898 3.657 0 40 IHAB C=C1c2ccccc2C(=O)N1CCC(=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 62581993 BAIKJVLRZVHKKE-UHFFFAOYSA-N 444.457 3.656 0 40 IHAB Cc1cc(NC(=O)Cn2cccc2-c2nc(-c3ccc(F)c(Br)c3)no2)[nH]n1 67207868 JSGPCDZHFMCJQF-UHFFFAOYSA-N 445.252 3.777 0 40 IHAB CCN(C(=O)CN1C(=O)N[C@@H](c2cc(C)ccc2C)C2=C1COC2=O)c1cccc(C)c1 67288629 KOIUEHQWQXFHAR-QHCPKHFHSA-N 433.508 3.542 0 40 IHAB CCOCCCn1c(SCC(=O)Nc2ccc(OC)c(F)c2)nc2ccccc2c1=O 67290933 CTFFVLQOSQAKKV-UHFFFAOYSA-N 445.516 3.702 0 40 IHAB COc1cccc2c1ccn2CCC(=O)Nc1ccc(N2CCCCS2(=O)=O)cc1 71280334 MAAZITFTRVKIQX-UHFFFAOYSA-N 427.526 3.609 0 40 IHAB O=C(NC[C@H]1O[C@H](Cc2cc(COc3ccccc3)on2)CC[C@@H]1O)Nc1ccccc1 77262945 JYMWWOUNUXKZAU-ACIOBRDBSA-N 437.496 3.526 0 40 IHAB biogenic,in-vitro CCN(C[C@H](O)c1ccc(C)cc1)C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 79016018 IHJGNCKISMSKDL-QHCPKHFHSA-N 438.549 3.992 0 40 IHAB O=C([C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCC(CSC2=NCCS2)CC1 90608326 QFDQTYAEOXACGZ-HNNXBMFYSA-N 438.018 3.768 0 40 IHAB COc1cccc(O[C@H](C)C(=O)NCc2nc(-c3cccc(Br)c3)no2)c1 95482339 OMLTZMIFPLVENE-GFCCVEGCSA-N 432.274 3.591 0 40 IHAB CC1(C)C[C@H](n2nc(O)c3c2NC(=O)CS[C@H]3c2cc(F)c(F)c(F)c2)CCO1 96116737 IOSIRUUPLUAGQV-HWPZZCPQSA-N 427.448 3.911 0 40 IHAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(Cl)cc1OC 96580935 RNNYGBFAVJSUIM-RQZCQDPDSA-N 443.887 3.587 0 40 IHAB O=C(NC[C@@H](NCOCc1ccccc1)C(=O)O)OCC1c2ccccc2-c2ccccc21 98091712 XWNAJKDUOSYULO-XMMPIXPASA-N 446.503 3.742 0 40 IHAB COC(=O)[C@H]1C[C@@]2(O)[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1c1ccc(=O)oc1 118928499 FCBMOZHERSIGKF-UVJKMWOMSA-N 444.568 3.641 0 40 IHAB Cc1c(CC(=O)N2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)c(=O)oc2cc(O)ccc12 208205351 CYCFHTMRVZWAHH-VKUUMZLYSA-N 448.563 3.771 0 40 IHAB CC[C@@H](C(=O)N[C@@H](C)COc1ccccc1C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 219123737 ARRDFNWUNRAYNY-FPOVZHCZSA-N 432.586 3.740 0 40 IHAB COc1ccc(CN(C(=O)CCc2ccccc2)[C@@H](C)C(=O)NCc2ccccn2)cc1 222993879 KLAUOBJQPSYGNG-FQEVSTJZSA-N 431.536 3.757 0 40 IHAB CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(C(=O)O)cc2)o1 223285000 KXFYHSXYZKWNCL-LEWJYISDSA-N 436.537 3.574 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)NCC2CCCCC2)c2ccccc2)cc1OC 223850131 MECYNQASUUSVHF-UHFFFAOYSA-N 446.569 3.596 0 40 IHAB CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(Cl)cc1Cl 223965629 OXNUIMGEWOIGNB-AWEZNQCLSA-N 439.339 3.934 0 40 IHAB COc1ccc(OC)c(CN(C)C(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)c1 224095006 YGORXPOYNZUZQK-UHFFFAOYSA-N 440.521 3.777 0 40 IHAB CCN(Cc1ccc(C(=O)NCCCOC2CCCC2)cc1)S(=O)(=O)c1ccccc1 224451439 AOIZNJZLZWBTEI-UHFFFAOYSA-N 444.597 3.977 0 40 IHAB COc1ccc(OC)c(-c2cc(C(=O)NC[C@H](OC)c3ccc(Cl)s3)n(C)n2)c1 225703956 NPRUULXQXTWWNU-KRWDZBQOSA-N 435.933 3.937 0 40 IHAB C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)N3CCn4cccc4[C@H]3C)ccc2Cl)C1 245225021 KSCNGRCDSWJTJF-JKSUJKDBSA-N 435.977 3.779 0 40 IHAB COc1ccccc1CC(=O)N1CCC(c2n[nH]cc2C(=O)N2[C@@H](C)CCC[C@H]2C)CC1 257232505 GLDAGASFSWDDAN-HDICACEKSA-N 438.572 3.770 0 40 IHAB O=C(COc1ncnc2ccccc12)N1CCC[C@H](c2ncc(Cc3ccccc3)o2)C1 257267874 MJECAJWUHKQIFD-IBGZPJMESA-N 428.492 3.994 0 40 IHAB Cc1onc(C(C)C)c1C(=O)N1CCO[C@H](c2ccc(Nc3ccc(F)cn3)cn2)C1 257270787 MVQJDPPSDQLYEL-SFHVURJKSA-N 425.464 3.993 0 40 IHAB Cc1nc2cc([C@@H]3CCCN3C(=O)C3CC3)nn2c(C)c1CCC(=O)N1CCCC[C@H]1C 257274400 NKYLPAMBSXHOTG-ZHRRBRCNSA-N 437.588 3.753 0 40 IHAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)N(C)c2ccc(C)c(C)c2)C1 260746181 QNXLBTHZDMWBFG-KRWDZBQOSA-N 434.533 3.515 0 40 IHAB Cc1ccc(C)c(N([C@H](C)C(=O)NCCOc2ccccc2C(C)C)S(C)(=O)=O)c1 260917238 CUHNXSNPOFIGCB-LJQANCHMSA-N 432.586 3.777 0 40 IHAB COc1cccc(N([C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)S(C)(=O)=O)c1 260945433 VAWWLLAZLZOSAJ-SJORKVTESA-N 430.570 3.606 0 40 IHAB CCOc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2C(=O)OC)n1CC 408526765 FWVVVVZHHVZPAJ-UHFFFAOYSA-N 440.525 3.881 0 40 IHAB CCC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1Cl 408635873 ISBQCJWABMOHEZ-AWEZNQCLSA-N 440.949 3.833 0 40 IHAB COc1ccccc1N(CC(=O)Nc1ccc(F)cc1F)S(=O)(=O)c1ccccc1 409024142 ACSUGHJOPKZXGU-UHFFFAOYSA-N 432.448 3.807 0 40 IHAB Cc1noc(C)c1CN1C[C@@H]2Oc3cc(-c4ccc(F)cc4F)ccc3C(=O)N(C)[C@@H]2C1 514289396 KAOWTQYELZMOSS-GGAORHGYSA-N 439.462 3.954 0 40 IHAB biogenic,in-vitro Cc1c(NC(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)nnn1Cc1ccccc1F 554998097 NMKKTHREAQBGPC-LJQANCHMSA-N 437.454 3.558 0 40 IHAB O=C1CCCCc2cc(C(=O)N3CCNC(=O)[C@H]3c3ccccc3Br)ccc21 570014484 PLMGVEDFNMXZLD-HXUWFJFHSA-N 441.325 3.672 0 40 IHAB Cc1nc2n(c(=O)c1C)[C@@H](CC(=O)Nc1ccccc1-c1cn3c(n1)CCCC3)CS2 575620760 SWUQCUOAPARACP-INIZCTEOSA-N 435.553 3.736 0 40 IHAB COc1cc(CN2CCC3(CC2)OC(=O)N2CCN(Cc4ccccc4)C[C@H]23)ccc1C 1549162754 VNBNVMIPCKQVBM-DEOSSOPVSA-N 435.568 3.675 0 40 IHAB CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(OC)cc1OC 779221 TYWFUXVOWOJRBU-UHFFFAOYSA-N 441.557 3.967 0 40 IHAB CCn1c(COc2ccccc2)nnc1SCC(=O)CC(=O)Nc1ccccc1OC 908409 WCOWMUUSCRWRRT-UHFFFAOYSA-N 440.525 3.576 0 40 IHAB COc1ccc(Cl)cc1NC(=O)Cn1nnc2sc(-c3ccccc3)cc2c1=O 1321004 WGMNNNNUVIAZQG-UHFFFAOYSA-N 426.885 3.821 0 40 IHAB CCOc1ccccc1NC(=O)CSc1ncnc2c1cnn2-c1ccc(OC)cc1 1346605 HQOYZCAYMQGBCS-UHFFFAOYSA-N 435.509 3.954 0 40 IHAB Cc1cc(Cl)ccc1NC(=O)COC(=O)[C@@H](CC(C)C)N1C(=O)c2ccccc2C1=O 1917033 MVGHAZNESHKZEK-LJQANCHMSA-N 442.899 3.841 0 40 IHAB CCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc(C)cc2oc(=O)cc(C)c12 2149714 VXCWXUXNEJNGGD-SFHVURJKSA-N 443.521 3.771 0 40 IHAB biogenic CCn1cc(CN(C)C(=O)[C@@H](C)n2nc(C(F)(F)F)c(Br)c2C)c(C)n1 2778540 IQXMMQIAXFVWDI-LLVKDONJSA-N 436.276 3.717 0 40 IHAB CCCCCCC(=O)N[C@@H](Nc1ccc(S(N)(=O)=O)cc1)C(Cl)(Cl)Cl 3118662 XKVMANXZYUNASP-CQSZACIVSA-N 430.785 3.529 0 40 IHAB Cc1cc(C)c(C(=O)COC(=O)CCNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1C 5981125 PDLITIRRQLCMGA-UHFFFAOYSA-N 426.557 3.996 0 40 IHAB COc1ccc(C(=O)Nc2nc(-c3nnn(-c4ccc(F)cc4F)c3C)ns2)cc1 8673344 ZTEXOHWGJYKANR-UHFFFAOYSA-N 428.424 3.633 0 40 IHAB CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccccc3O)[nH]n2)cc1 8845842 UOAFDBJWMJAIBJ-UHFFFAOYSA-N 448.504 3.860 0 40 IHAB CCSc1nnc(NC(=O)CN2C(=O)NC3(CCC(C(C)(C)CC)CC3)C2=O)s1 8884317 GGNCFHZMOWWYRO-UHFFFAOYSA-N 439.607 3.506 0 40 IHAB COc1ccc(C(=O)N(C(=O)c2ccc(OC)c(OC)c2)c2cc(C)ccn2)cc1OC 8916833 OVOKKMTVYBKJJN-UHFFFAOYSA-N 436.464 3.912 0 40 IHAB Cc1cccc(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(C(F)(F)F)c2)c1 8926359 BWHUBTSYJGNVHX-UHFFFAOYSA-N 444.413 3.602 0 40 IHAB COc1ccc(CCSC2=N[C@H]3CS(=O)(=O)C[C@@H]3N2c2cccc(Cl)c2)cc1 8993664 GYRIRRQIMAUWTC-OALUTQOASA-N 436.986 3.666 0 40 IHAB CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3C)c(C)c1 9165826 XHXBUSHPRMJVGK-UHFFFAOYSA-N 445.541 3.526 0 40 IHAB CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]12 9185138 WIDOYZJXGXJVAM-AEFFLSMTSA-N 446.290 3.599 0 40 IHAB CCCc1nnc(NC(=O)CCC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)s1 9282646 FZTOAHNZERIFSH-UHFFFAOYSA-N 435.981 3.520 0 40 IHAB Cc1cccc(-n2nc3c(c2NC(=O)c2ccc(C(F)(F)F)cc2)CS(=O)(=O)C3)c1 9518014 YSMMJGSAMIGEOJ-UHFFFAOYSA-N 435.427 3.880 0 40 IHAB Cc1ccc(C)c(NC(=O)COC(=O)CCS(=O)(=O)c2cc(Cl)ccc2Cl)c1 9525806 LNIWDNRNXSNBQE-UHFFFAOYSA-N 444.336 3.956 0 40 IHAB CC(C)n1nccc1NC(=O)[C@@H](C)Sc1nnc(-c2ccc(Cl)cc2)n1CC(=O)O 9635138 BEALUNKZKCKXNC-GFCCVEGCSA-N 448.936 3.580 0 40 IHAB CCn1c(SCC(=O)Nc2cc(OC)ccc2OC)nc2c(oc3ccccc32)c1=O 9752185 URQLCJVMQMYMGR-UHFFFAOYSA-N 439.493 3.911 0 40 IHAB O=C(CSc1ncnc2cc(-c3ccc(Br)cc3)sc12)N1CCNC1=O 9783702 IBZKMSSGNSUECB-UHFFFAOYSA-N 449.355 3.765 0 40 IHAB COc1ccc(-c2ccc3nnc(SCC(=O)Nc4ccc(C(C)=O)cc4)n3n2)cc1 9829052 HHVGKKXKZJYXQD-UHFFFAOYSA-N 433.493 3.733 0 40 IHAB Cc1ccnn1-c1ccc(C(=O)N2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)cc1 9864741 ATNFFRUDGBLQEE-HSZRJFAPSA-N 430.508 3.601 0 40 IHAB COc1ccc(C(=O)C[C@]2(O)C(=O)N(CCOc3ccccc3C)c3ccccc32)cc1 9926326 NLRPMVDQJWWFJH-AREMUKBSSA-N 431.488 3.890 0 40 IHAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCCCN2CCCCC2)ccc1C 10112036 WEMOGQNMUWUIEG-UHFFFAOYSA-N 429.586 3.710 0 40 IHAB COc1ccc(CCNC(=O)c2cnc(Nc3nc4ccccc4o3)nc2C)cc1OC 10157588 YADVFDFMRZYDQB-UHFFFAOYSA-N 433.468 3.660 0 40 IHAB C[C@H](CCc1ccccc1)NC(=O)[C@@H](C)Sc1nnc(-c2ccc(Cl)cc2)n1N 10216001 SOYWZDUTKSGYKD-HUUCEWRRSA-N 429.977 3.930 0 40 IHAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)[C@@H]1CC(=O)N(c2cccc(SC)c2)C1 10276002 CGIYOZPUMSACOF-CQSZACIVSA-N 447.507 3.527 0 40 IHAB COCCCn1c(SCC(=O)N[C@@H]2CCCC[C@H]2C)nc2cc(Cl)ccc2c1=O 11528013 ZKSKRFYDORXBHK-RHSMWYFYSA-N 437.993 3.873 0 40 IHAB O=C(C(c1ccccc1)c1ccccc1)N1C[C@@H]2C[C@H]1C(=O)N2c1ccc2c(c1)OCO2 12184731 DHLBSWTZKGLFKQ-SFTDATJTSA-N 426.472 3.564 0 40 IHAB COc1ccc(S(=O)(=O)N2CCn3cccc3[C@@H]2c2ccc(OC)c(OC)c2)cc1C 12361669 SXSWZSIVTZCSPB-QHCPKHFHSA-N 442.537 3.616 0 40 IHAB Cc1c(CCC(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)c(=O)oc2cc(O)ccc12 12408567 GUTKCWVEWANXSH-UHFFFAOYSA-N 441.911 3.903 0 40 IHAB NC1=Nc2nc3ccccc3n2[C@H](c2cc(Br)ccc2OCc2ccccn2)N1 12520470 YOWHELYWFZNZRH-LJQANCHMSA-N 449.312 3.869 0 40 IHAB Cc1ccc(C(=O)CCC(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)s1 12932893 BMQVHBRAAXEKHN-UHFFFAOYSA-N 432.523 3.730 0 40 IHAB Cc1sc2nc([C@@H]3S[C@@](c4ccccc4)(C(F)(F)F)NC3=O)[nH]c(=O)c2c1C 12946243 HAMZKWOORWGIQF-SJCJKPOMSA-N 425.457 3.921 0 40 IHAB COc1ccc(-c2nc(NC(=O)CN3C(=O)N[C@]4(CCCC[C@@H]4C)C3=O)sc2C)cc1 12993115 WUZFFWVCLKTOFB-XMHCIUCPSA-N 442.541 3.566 0 40 IHAB CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)Sc1nnc(C2CC2)n1C1CC1 13010146 QOYBWEHCMQWGKF-CQSZACIVSA-N 427.574 3.631 0 40 IHAB Cc1cc(C)n2nc(SCC(=O)N[C@@H](c3ccc4c(c3)OCCCO4)C(C)C)nc2n1 13163781 QEDJOYZTEDVPEB-HXUWFJFHSA-N 441.557 3.508 0 40 IHAB CC[C@@H](C(=O)Nc1cc(C(=O)OC)ccc1C)N(c1cccc(Cl)c1)S(C)(=O)=O 13712381 DVKFSUPGBLEHSC-SFHVURJKSA-N 438.933 3.618 0 40 IHAB COc1cc(CCC2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)cc(OC)c1 14100976 FTONMHQKIXVQQK-UHFFFAOYSA-N 446.569 3.696 0 40 IHAB COc1cc2c(cc1/C=C/C(=O)N1CCN(c3ccc(C(F)(F)F)cn3)CC1)O[C@@H](C)C2 14171642 VWRPWZJMRFZACS-VFQAQYNWSA-N 447.457 3.794 0 40 IHAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@H]1CC(=O)N([C@H](C)c2ccccc2)C1 14231503 YMSYZINMNPTWTR-XXBNENTESA-N 430.552 3.774 0 40 IHAB CCS(=O)(=O)N(CC(=O)Nc1cc(Cl)ccc1Cl)c1ccc2c(c1)OCO2 14397123 WBCGWIWIDMFZAH-UHFFFAOYSA-N 431.297 3.517 0 40 IHAB O=C(c1ccc(Br)o1)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 14630038 MYNQTMGFOOSISA-UHFFFAOYSA-N 425.151 3.700 0 40 IHAB COc1cc(-c2nnc(SCC(=O)NCCCc3ccccc3)o2)cc(OC)c1OC 16046176 ZKKTWDIFMXBZMI-UHFFFAOYSA-N 443.525 3.604 0 40 IHAB O=C(OCc1c(Cl)cccc1Cl)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 16050993 ABHWQAMFINFVDP-UHFFFAOYSA-N 448.299 3.510 0 40 IHAB O=C(Nc1nc2c(F)cccc2s1)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 17149800 ULCKSTWSJMOICQ-LBPRGKRZSA-N 425.532 3.679 0 40 IHAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NC[C@@H]3CN(CC(C)C)CCO3)cc12 17803572 CXVSECGVVROOOL-LJQANCHMSA-N 444.576 3.680 0 40 IHAB COc1ccc(NC(=O)CN(C)C(=O)CSc2ncnc3sc(C)c(C)c23)cc1 18003121 VAFDZATUNYIHDG-UHFFFAOYSA-N 430.555 3.506 0 40 IHAB Cc1cc(C(=O)CCC(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)c(C)s1 18127973 VPXRVWNTHUMLCL-UHFFFAOYSA-N 441.597 3.728 0 40 IHAB CCN1CCN(C(=O)c2c[nH]nc2C)C[C@H](Cc2ccccc2-c2ccccc2OC)C1=O 19527685 JFPSGKCCLKDPNF-FQEVSTJZSA-N 446.551 3.557 0 40 IHAB CN(C(=O)CN1CCO[C@@H](c2ccc(Cc3ccccc3F)cn2)C1)C1CCCCC1 19686904 JDPCFJLLDLDVGI-XMMPIXPASA-N 425.548 3.976 0 40 IHAB Cc1nc(CN(C)Cc2cnc(C(C)C)nc2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 19698568 OQYFVIBMFIXMBQ-UHFFFAOYSA-N 448.546 3.949 0 40 IHAB Cc1nc(C2CCN(C(=O)c3ccc(N4CCCCC4)cc3)CC2)nc2c1CCC(=O)N2C 19739555 VRNZXGRABGZGJU-UHFFFAOYSA-N 447.583 3.704 0 40 IHAB COc1ccc(NC(=S)NC(=O)COc2ccc(C)cc2)cc1-c1ccc(CO)o1 20153664 ZZGHANDHOSWYKU-UHFFFAOYSA-N 426.494 3.648 0 40 IHAB CC(=O)N[C@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NCc3ccccc3Cl)[C@H](O)[C@H]2[C@@H]1C 20466068 BZEFESROWBFQRN-DSSJMDOMSA-N 435.008 3.920 0 40 IHAB biogenic,in-vitro COc1ccc2c(COC(=O)[C@@H]3CC(=O)N([C@@H]4CCC[C@@H](C)[C@@H]4C)C3)cc(=O)oc2c1 21717430 MBKIVMRPBMBQRT-UIVXKWKOSA-N 427.497 3.518 0 40 IHAB C[C@H](NC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)c1ccc(F)cc1 22536762 QWDRDLXEOLIHQF-KRWDZBQOSA-N 442.512 3.560 0 40 IHAB Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)Cn1c(=O)oc2ccccc21 23731726 QXOKOGLGIIOOAP-UHFFFAOYSA-N 438.915 3.768 0 40 IHAB O=S(=O)(Cc1ccccc1)N1CCN(Cc2c(-c3ccccc3)nc3ccccn23)CC1 23982542 IBNJHZZBTDESHH-UHFFFAOYSA-N 446.576 3.649 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)Cc2c(C)nc3ccccc3c2C)c1 24760781 BAKCLXVMCIVORD-UHFFFAOYSA-N 441.553 3.769 0 40 IHAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCc3ccc(-c4nc5ccccc5s4)o3)ccc21 24883540 LKARISLLJZUFTC-UHFFFAOYSA-N 446.488 3.509 0 40 IHAB C[C@@]12CCC(=O)N1[C@H](C(=O)NCc1ccc(-c3ccc(Br)cc3)o1)CS2 26691535 GUUMZHTZBKRLSD-HNAYVOBHSA-N 435.343 3.779 0 40 IHAB CCCn1c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)nc2ccccc21 29474563 MIICGUPDGWUTGW-HNNXBMFYSA-N 432.571 3.547 0 40 IHAB O=C(O)[C@H](c1c[nH]c2ccc(Br)cc12)N1CCN(Cc2cccs2)CC1 32103141 YDFXSCCQVKGTOK-SFHVURJKSA-N 434.359 3.935 0 40 IHAB O=C(NCc1ccc(OC(F)F)cc1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 32906362 UVUXYYLXJVUTIU-CYBMUJFWSA-N 439.256 3.720 0 40 IHAB COc1ccc(-c2nn3c(=O)cc(CNC(=O)Nc4ccccc4Cl)nc3s2)cc1 32996070 DUYANYCOZFIOTJ-UHFFFAOYSA-N 441.900 3.802 0 40 IHAB COc1ccc(NC(=O)c2cc(-c3ccc(C)c(C)c3)n([C@H]3CCS(=O)(=O)C3)n2)cc1 33325857 JCYHPKATOYDELK-IBGZPJMESA-N 439.537 3.787 0 40 IHAB CCc1nnc(NC(=O)CSc2nnc(-c3ccccn3)n2Cc2ccccc2)s1 35313033 AHIDPIGEDLXTQE-UHFFFAOYSA-N 437.554 3.533 0 40 IHAB CN(CCNC(=O)C1CCN(Cc2ccc(Br)cc2)CC1)c1ccccc1 44916832 JRDHJFVOXDSCQY-UHFFFAOYSA-N 430.390 3.914 0 40 IHAB COc1ccc(C(=O)NC(=S)Nc2ccc3nn(-c4ccccc4)nc3c2)c(OC)c1 59294617 GLXMHLLUMMUEKY-UHFFFAOYSA-N 433.493 3.565 0 40 IHAB CCc1ccc(CNC(=O)Cn2nc3c(Sc4ccc(C)cc4C)nccn3c2=O)cc1 67319620 PLMPRKDKIFRLMZ-UHFFFAOYSA-N 447.564 3.538 0 40 IHAB COc1ccc(S(=O)(=O)NCC2CCN(c3nc4ccccc4s3)CC2)cc1F 70923645 DCJCCFFTAPTQCA-UHFFFAOYSA-N 435.546 3.639 0 40 IHAB COc1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccccc3Cl)c2C)cc1Cl 71327232 FVJLPZHHXZLBFI-UHFFFAOYSA-N 434.283 3.793 0 40 IHAB C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)NCC1(N[C@H](C)c2ccccc2)CCOCC1 72309573 UXLGUCLCGGTVPC-RBUKOAKNSA-N 433.593 3.506 0 40 IHAB CCCN1CCN(C(=O)c2cccnc2C)[C@@H](Cc2ccccc2-c2cccnc2)C1=O 72351570 BXWMVZNUFVUYKZ-DEOSSOPVSA-N 428.536 3.758 0 40 IHAB CNC(=O)c1sc2ccccc2c1C[C@H]1CCCCN1C(=O)Cc1nc(C(C)C)n[nH]1 72370497 XIKLZHNIUNKOLE-OAHLLOKOSA-N 439.585 3.669 0 40 IHAB Cc1cc(-c2snnc2[C@H]2CCCN(C(=O)[C@H](C)Cn3nc(C)c(C)c3C)C2)on1 72396739 SVAHWZMCUUHCSI-PXAZEXFGSA-N 428.562 3.666 0 40 IHAB O=S(=O)(Nc1cc(OCc2ccccc2)ncn1)c1ccc(OC(F)(F)F)cc1 90593556 VKECUVIKMSQUOL-UHFFFAOYSA-N 425.388 3.755 0 40 IHAB Cc1nn(C)c(C(N)=O)c1NC(=O)c1cc2sccc2n1Cc1ccc(Cl)cc1 95116719 NDPQOOQXQHUMDX-UHFFFAOYSA-N 427.917 3.798 0 40 IHAB Fc1ccc(Cn2nnnc2[C@H](c2ccccc2)N2CCN(Cc3ccccc3)CC2)cc1 95232864 MGUYCCDUXACWMD-VWLOTQADSA-N 442.542 3.768 0 40 IHAB Cc1cc(NC(=O)CSCC(=O)Nc2ccc(CC[C@@H](O)c3ccccc3)cc2)no1 95348891 JJOHBAFXLUBSHX-HXUWFJFHSA-N 439.537 3.960 0 40 IHAB COc1ccc(CN2CCC[C@]23CCCN(S(=O)(=O)Cc2ccccc2)C3)cc1F 96089533 VGGMJAKHWNIWOG-HSZRJFAPSA-N 432.561 3.795 0 40 IHAB O=C(Cc1ccc(Br)cc1)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1 96099464 YQRLJRHJKOFCTH-UHFFFAOYSA-N 440.334 3.596 0 40 IHAB COc1cc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3[C@H]2CCOC(C)(C)C2)cc2c1OCO2 96117801 HXXFTKCCJGSVND-SCLBCKFNSA-N 431.514 3.930 0 40 IHAB Cc1nc(-c2nc(C(=O)N3CCC(N(C)C)CC3)c3ccccn23)cn1Cc1ccccc1 96155173 WMSXYPRDLGXQNI-UHFFFAOYSA-N 442.567 3.721 0 40 IHAB CS(=O)(=O)[C@@](Cl)(I)C(=O)c1ccc(Cl)cc1Cl 96518249 ISLDDYPAMSGCBK-VIFPVBQESA-N 427.474 3.548 0 40 IHAB Cc1sc(N2C(=O)[C@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)c(C(N)=O)c1-c1ccc(C(C)(C)C)cc1 102230466 PVKHYBNHAYKHSF-LAQRGFTBSA-N 438.549 3.787 0 40 IHAB CC(C)(C)C(=O)[C@H]1[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN21 103537898 MVBFBZGUDXDXJB-VNTMZGSJSA-N 435.911 3.834 0 40 IHAB Cc1ccccc1OC[C@H](C)NC(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 219636261 AGULCKSOECCARH-KRWDZBQOSA-N 438.977 3.778 0 40 IHAB COc1ccc([C@H](CC(C)C)NC(=O)CN(c2ccc(F)cc2F)S(C)(=O)=O)cc1 220096123 VLYLVORNIBRJBM-IBGZPJMESA-N 440.512 3.643 0 40 IHAB COC(=O)c1cn(C(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c2ccccc12 222610406 PVURAJTVPNNLLN-UHFFFAOYSA-N 440.502 3.979 0 40 IHAB CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)COc1ccc(Br)cc1 223045768 GSIVJLMXEBCJHO-LJQANCHMSA-N 433.346 3.690 0 40 IHAB C[C@@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccc2c(c1)CCC2 223213681 RQCWGKCTLVDDEC-GOSISDBHSA-N 426.582 3.595 0 40 IHAB Cc1ccc(OCCNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1C 224099470 VOMWDXFWBPFXOI-UHFFFAOYSA-N 430.570 3.595 0 40 IHAB CNC(=O)[C@@]1(c2ccccn2)CCCN(C(=O)c2cccc(Nc3nc(C)cs3)c2)C1 257232132 GJNZGEGOUJUGIJ-QHCPKHFHSA-N 435.553 3.510 0 40 IHAB COc1cc2c(cc1CN1CCO[C@H](c3cccc(Nc4ccccn4)n3)C1)OCCO2 257282159 OSPMOUJJTMRJSG-QFIPXVFZSA-N 434.496 3.574 0 40 IHAB CCN1CCN(Cc2ccc(NC(C)=O)cc2)[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O 257309917 UCXISCAFNHPFKM-AREMUKBSSA-N 442.563 3.982 0 40 IHAB Cn1ccc(C(=O)Nc2ccccc2C(=O)N2C[C@H]3[C@@H](Oc4cccc(F)c4)CC[C@H]3C2)n1 257331964 XVCPNTHWZKJOGP-YBVWCTEOSA-N 448.498 3.741 0 40 IHAB Cc1nc2cc([C@H]3CCN(C(=O)C4CC4)C3)nn2c(C)c1CCC(=O)Nc1ccc(F)cc1 257341221 ZJKIULKHJUHESQ-SFHVURJKSA-N 449.530 3.782 0 40 IHAB O=C1N(Cc2ccccc2)CCO[C@]12CN(Cc1cccc(F)c1)C[C@H]2c1cccnc1 306143522 YEPMFWPJJIPTDD-AHWVRZQESA-N 431.511 3.618 0 40 IHAB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1)Nc1ccc(Cl)cc1 408670887 XPKGPRHXPLPGIF-KDURUIRLSA-N 438.867 3.591 0 40 IHAB COc1ccccc1/C=[N+]1\NC(=O)[C@@H](NC(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(C)cc1 409060111 SUIIFLVMNUDLKM-LMOLPZMTSA-O 448.930 3.673 0 40 IHAB C[C@H](NS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(F)c2)cc1)c1ccccc1 409149463 GYZODWUYZWSVCU-INIZCTEOSA-N 428.485 3.883 0 40 IHAB CCOc1cccc(CS(=O)(=O)Cc2nc(-c3cccc(C(F)(F)F)c3)no2)n1 544075457 WWHFYEXTWNDCHJ-UHFFFAOYSA-N 427.404 3.664 0 40 IHAB CCCN(Cc1ccc(S(C)(=O)=O)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 550993247 MKWBJZUQKVJKRF-UHFFFAOYSA-N 436.382 3.998 0 40 IHAB O=C(c1cccs1)N1CCO[C@]2(C1)C(=O)N(Cc1cccs1)C[C@H]2c1ccccc1 585107052 PEOZSFPPTPXLDU-CVDCTZTESA-N 438.574 3.847 0 40 IHAB O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N1CCO[C@H](c2ccc(F)cc2)C1 641956311 XWSOATNHSSBSOC-FQEVSTJZSA-N 449.507 3.864 0 40 IHAB CC(C)n1nccc1C(=O)N1CCCCN(C)C(=O)c2cc(Cl)ccc2OCCC1 643558101 JAQRXDUCXOVPQO-UHFFFAOYSA-N 432.952 3.895 0 40 IHAB Cc1ncsc1C(=O)N1CCCCC2(CO)CCN(CC2)Cc2ccccc2OCC1 643574982 HAJXVYFRIUXYNF-UHFFFAOYSA-N 443.613 3.731 0 40 IHAB CCOc1cccc2c1OCCCCCNC(=O)CN(C(=O)Cn1ccc3ccccc31)C2 643575245 AFIUSJMSBUCWMO-UHFFFAOYSA-N 449.551 3.748 0 40 IHAB CCc1nc(C(=O)N(CCn2ccnc2)C2CCSCC2)nn1-c1ccccc1Cl 1521121242 DOBFBLAXQPZTCF-UHFFFAOYSA-N 444.992 3.718 0 40 IHAB CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 1888929348 VBZALIDIRLJTLH-UHFFFAOYSA-N 437.487 3.751 0 40 IHAB COc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)Cc3nnnn3C3CCCC3)cc2c1 927730 LVFLTNOSDDXNTK-UHFFFAOYSA-N 444.539 3.841 0 40 IHAB CC1=C(C(N)=O)[C@@H](c2cccc(Br)c2)N2NC(c3ccccc3Cl)=NC2=N1 940695 PBFONSBVHCJMIJ-MRXNPFEDSA-N 444.720 3.540 0 40 IHAB COc1ccc(-n2c(N)c(C(=O)NCCC(C)C)c3nc4ccccc4nc32)c(OC)c1 2370584 CFNWUSDEHQGVLV-UHFFFAOYSA-N 433.512 3.949 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccccc3Cl)o2)cc1 2723410 OHVFDHLKZYJZMT-UHFFFAOYSA-N 434.905 3.673 0 40 IHAB O=C(NCc1ccco1)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 2938407 NLZDBAFCBYERAW-UHFFFAOYSA-N 435.299 3.773 0 40 IHAB O=C1N[C@@H](c2ccccc2)[C@@H](C(=O)c2ccc(Br)cc2)[C@](O)(C(F)(F)F)N1 4163840 SCVHLNZCSIMTDW-ZQIUZPCESA-N 443.219 3.553 0 40 IHAB CC(C)(CC(=O)NCCc1ccccc1)CC(=O)N1CCN(c2ccc(F)cc2)CC1 4687691 GARQUWXRUVVKHN-UHFFFAOYSA-N 425.548 3.640 0 40 IHAB CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)[C@@H](C)N1C[C@@H](C)C[C@@H](C)C1 5067076 ZEXLUBLZRNFVBG-QLFBSQMISA-N 431.533 3.667 0 40 IHAB COc1cc(OC)c([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(C)c(C)c2)cc1OC 5753740 KKZATDPOLLCYPZ-NRFANRHFSA-N 425.485 3.596 0 40 IHAB CC(=O)Nc1ccc(NC(=O)CSc2nc(CC(=O)NCCC(C)C)cs2)cc1 8850399 ORLIFNBTCJTSIP-UHFFFAOYSA-N 434.587 3.537 0 40 IHAB CCn1c(SCC(=O)OCC(=O)NC2CCCCC2)nnc1-c1ccc(Cl)cc1 9127743 ZZERUNAUYWNTCH-UHFFFAOYSA-N 436.965 3.703 0 40 IHAB O=C(CCCCCNC(=O)N1CCn2c1nc1ccccc12)NCCCc1ccccc1 9130490 OVWKXWSLRKGIKH-UHFFFAOYSA-N 433.556 3.875 0 40 IHAB CCn1c(COc2ccccc2C(C)C)nnc1SCC(=O)Nc1nnc(C)s1 9289973 MTZLHCXFRHGDJY-UHFFFAOYSA-N 432.575 3.891 0 40 IHAB COc1ccc2nc(-c3ccccc3)cc(C(=O)OCC(=O)N3C[C@H](C)O[C@@H](C)C3)c2c1 9352853 VOANQIUDSSRLQH-IRXDYDNUSA-N 434.492 3.703 0 40 IHAB CC(=O)N1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccccn3)=NN12 9374399 BOWWMCYNEFKBJB-IBGZPJMESA-N 441.329 3.726 0 40 IHAB O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)c1c[nH]c(C(=O)N2CCCC2)c1 9376481 LJVZDSRFQYGCLU-UHFFFAOYSA-N 446.916 3.841 0 40 IHAB COc1ccc2c(C)cc(SCC(=O)Nc3sc4c(c3C(N)=O)CCC4)nc2c1 9491284 RGANFFAAVZLPGT-UHFFFAOYSA-N 427.551 3.932 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCCC3)c2)c(OC)c1 9526118 BCRCJRYPIHFMDB-UHFFFAOYSA-N 448.541 3.529 0 40 IHAB CC(C)[C@@H](NC(=O)Cc1cccc2ccccc12)C(=O)Nc1ccc(S(C)(=O)=O)cc1 9670457 QSQCKDZJYQMACP-HSZRJFAPSA-N 438.549 3.565 0 40 IHAB COc1cc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)C2CCCCC2)cc(OC)c1OC 9673274 UTYLCRMOMNCDLL-HXUWFJFHSA-N 440.540 3.959 0 40 IHAB CCn1c(COC(=O)c2cccc(C)c2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 9728398 AAAYTOBRIAPCTQ-UHFFFAOYSA-N 441.553 3.896 0 40 IHAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)cc1C 10301274 KHDOOZISOXPXSI-UHFFFAOYSA-N 430.448 3.672 0 40 IHAB CC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)CCC(=O)c2ccc3c(c2)OCCCO3)cc1 10470112 MUXATXHXHTWYFA-OAHLLOKOSA-N 439.464 3.584 0 40 IHAB O=C(c1cccc(S(=O)(=O)N2CCCCC2)c1)n1cccc/c1=N\C1CCCCC1 10814658 CADKZIQPGNLGNY-ZNTNEXAZSA-N 427.570 3.585 0 40 IHAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1 10904815 QGUFAHAQTKQRRK-UHFFFAOYSA-N 432.568 3.892 0 40 IHAB Cc1nc(NC(=O)c2nn(-c3ccc(Cl)cc3)ccc2=O)sc1C(=O)OCC(C)C 11914105 HGBQUGNFDRCXRT-UHFFFAOYSA-N 446.916 3.716 0 40 IHAB CCN(CC)C(=O)Cn1ncc2c3sc(C)cc3n(Cc3ccc(F)cc3)c2c1=O 12113494 CLJADCLBDNQNAV-UHFFFAOYSA-N 426.517 3.777 0 40 IHAB COc1cccc(OC)c1C(=O)N1CCC(c2nc3ccc(F)cc3cc2C(N)=O)CC1 12254397 VGDDNVFCBVCERE-UHFFFAOYSA-N 437.471 3.510 0 40 IHAB COc1cc(C)ccc1OCC(=O)N1CC[C@@H](c2cc3nc(C)cc(C(F)(F)F)n3n2)C1 12258055 SRYGQTAFYGGPDS-OAHLLOKOSA-N 448.445 3.768 0 40 IHAB O=C(CN1CCC[C@H](C(=O)Nc2ccccc2)C1)NCc1ccccc1OC(F)(F)F 12328515 MCCXYWWLAAZWBX-KRWDZBQOSA-N 435.446 3.552 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCCOC)n2-c1ccccc1OC 12519966 NGEWOHVYBYYTDI-UHFFFAOYSA-N 449.598 3.803 0 40 IHAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(N2CCCCCC2)cc1 12564406 TWCGKSZNFSIXCK-HSZRJFAPSA-N 441.597 3.782 0 40 IHAB CCOc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc1S(=O)(=O)N(C)C 12777814 VDIRYOQVCSBHTA-AWEZNQCLSA-N 440.949 3.703 0 40 IHAB C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)O[C@H](C)C(=O)N1CCCc2ccccc21 12911252 SNLPQDDMPRIANC-KIYBLHRFSA-N 438.568 3.619 0 40 IHAB CC(=O)NCc1ccc(C(=O)CSc2nnc(Cc3cccs3)n2C2CC2)cc1 13118125 CELDVHYDNFPPMZ-UHFFFAOYSA-N 426.567 3.876 0 40 IHAB COc1ccccc1N1CCN([C@H](c2ccc(F)cc2)c2nnnn2C2CCCC2)CC1 13503861 NJHGQRXXQGWBEU-HSZRJFAPSA-N 436.535 3.848 0 40 IHAB CC(C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)NC1CCCCC1 13554504 YJZSCVRWCYDMSS-YYDVJCTNSA-N 443.613 3.625 0 40 IHAB COc1ccccc1N1CCN(c2nc(CSc3nc4ccccc4o3)cc(=O)[nH]2)CC1 13611401 LVRIYRMOHZCIEF-UHFFFAOYSA-N 449.536 3.539 0 40 IHAB O=C(CCCCCNC(=O)N1CC(=O)Nc2ccccc21)NCc1cccc(Cl)c1 13629784 COJHCLFWKHVDFH-UHFFFAOYSA-N 428.920 3.685 0 40 IHAB COc1cc2nc(CSc3nnc(NC4CCCCC4)s3)[nH]c(=O)c2cc1OC 14109664 VPIQOSNMFPJIPA-UHFFFAOYSA-N 433.559 3.829 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc2nc(O)cc(C(=O)N(C)Cc3ccccc3C)c2c1 14241472 RCQGBALUBSVZHK-UHFFFAOYSA-N 441.553 3.552 0 40 IHAB COC(=O)c1sccc1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 15606483 JLJMONFVHMYXHY-UHFFFAOYSA-N 430.507 3.612 0 40 IHAB CCOc1cc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(=O)NCc2ccccc2)ccc1O 16012161 NKBFIPOZZNNWSJ-LPPUWEFUSA-N 438.568 3.775 0 40 IHAB C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)c3cncc(Br)c3)cc2)C1 16016588 QYHUYHTYQNBSJQ-ZDUSSCGKSA-N 438.347 3.517 0 40 IHAB COc1ccc(-c2nc(C)c(CCNS(=O)(=O)c3ccc(OC)c(F)c3)s2)cc1 16992148 HLAVPWNFLBRGKQ-UHFFFAOYSA-N 436.530 3.796 0 40 IHAB COc1cc(OC)cc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)c(OC)c2)c1 17097889 BOCYBSKNRBNQRO-UHFFFAOYSA-N 432.432 3.765 0 40 IHAB COc1ccc(-n2[nH]c3[nH]c(CSc4nc5ccccc5s4)cc(=O)c3c2=O)cc1 17100307 JDPFJSBFJGYDIQ-UHFFFAOYSA-N 436.518 3.918 0 40 IHAB O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(Br)s1 18108272 WVHTWLYHIQDYNT-UHFFFAOYSA-N 443.388 3.615 0 40 IHAB O=C(CC1CCCC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(Cc1ccccc1F)C2 19349414 VVNZOKBFULSFLM-JOCHJYFZSA-N 438.547 3.711 0 40 IHAB Cc1cc(C(=O)[C@@H]([C@@H](c2ccccc2)N2CCOCC2)N2CCOCC2)ccc1Cl 19366132 ZIMMQXHOWGZONK-DHIUTWEWSA-N 428.960 3.605 0 40 IHAB CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CCCN(C(=O)[C@@H]2CCCCO2)C1 19448751 HRAYARIZGNEJOM-RPLLCQBOSA-N 449.595 3.994 0 40 IHAB Cc1cc(O[C@@H](C)C(=O)N2CCC[C@H](c3noc(-c4cnccn4)n3)C2)cc(C)c1Cl 19569902 ZXOAUBXHHNSLEZ-HOTGVXAUSA-N 441.919 3.970 0 40 IHAB Cc1ncc(C(=O)N2CCC[C@H](c3ccc(C(=O)Nc4ccc(F)cc4)cn3)C2)c(C)n1 19705575 NQQWHWSUVLGJJZ-SFHVURJKSA-N 433.487 3.900 0 40 IHAB Cc1noc(C)c1CC(=O)N1CCC([C@H]2CCCCN(CCc3ccccc3)C2=O)CC1 19744950 PCJRQEGULCQERV-HSZRJFAPSA-N 437.584 3.944 0 40 IHAB CCn1nccc1C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccccc2F)CC1 19747029 BCFVWOWFUPROIP-OAQYLSRUSA-N 426.536 3.518 0 40 IHAB CN1CCN(Cc2nnc3n2-c2ccc(Cl)cc2C(c2ccccc2Cl)=NC3)CC1 19802460 VMYJKZHHFBLLOR-UHFFFAOYSA-N 441.366 3.673 0 40 IHAB CCC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(Cl)c1 20006449 VJWBNAFZCYZTIU-HNAYVOBHSA-N 438.977 3.543 0 40 IHAB CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1OC)c1ccccc1 20049493 LOVUEJUAPNUAPM-OAQYLSRUSA-N 430.570 3.997 0 40 IHAB COCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)n2c1nc1ccccc12 20103460 QWFAEKGLEBIALO-LJQANCHMSA-N 426.904 3.951 0 40 IHAB O=C(c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Br)cc1)N1CCCCC1 20889357 KXNZAYUTIFNBHJ-UHFFFAOYSA-N 449.370 3.827 0 40 IHAB CCC[C@@H](C)NC(=O)COC(=O)c1ccc(OS(=O)(=O)c2cc(C)ccc2C)cc1 21233350 GJFRJFACRZDDLQ-QGZVFWFLSA-N 433.526 3.533 0 40 IHAB CN(CC(=O)OCc1cc2ccccc2nc1Cl)S(=O)(=O)c1ccc(Cl)cc1 21255089 NBMCHMISWCPBNS-UHFFFAOYSA-N 439.320 3.906 0 40 IHAB CCc1ccc(OC(=O)CSc2nc(-c3ccc(Cl)cc3)nc3cc(=O)[nH]n23)cc1 21885422 XLEJPRPKJQFDHQ-UHFFFAOYSA-N 440.912 3.998 0 40 IHAB Cc1cccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(Br)cc3)CC2=O)c1C 21965879 HMDVURLAWGUFHO-OAHLLOKOSA-N 445.313 3.601 0 40 IHAB COc1ccc(NC(=O)[C@@H](C)Sc2nc(CN3CCOCC3)nc3ccccc23)cc1 22188511 MMBZHSPEUZNTGO-MRXNPFEDSA-N 438.553 3.590 0 40 IHAB CN(c1ccc(OCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1)S(C)(=O)=O 22230610 IQHXKDOSHVIKBO-UHFFFAOYSA-N 426.494 3.892 0 40 IHAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1C 22539462 QTOQBTZJLBVIEU-OALUTQOASA-N 432.586 3.863 0 40 IHAB COc1cc(CCC(=O)NCCc2ccc(Br)s2)cc(OC)c1OC 22993826 RUUJTTDHIGYUAQ-UHFFFAOYSA-N 428.348 3.828 0 40 IHAB COc1ccc(S(=O)(=O)N(C)CCCC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)cc1 23507728 MTNYJTKRBNFABX-OAHLLOKOSA-N 440.512 3.594 0 40 IHAB O=C(c1ccc(Oc2ccccc2)cc1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 23817467 WPPWEPAWIYQCSR-UHFFFAOYSA-N 446.532 3.506 0 40 IHAB O=C(COC(=O)c1ccc2noc(-c3ccccc3)c2c1)NC[C@H]1COc2ccccc2O1 26711169 MUTIVNUJJMJHIJ-SFHVURJKSA-N 444.443 3.608 0 40 IHAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 28209531 DTSISHAVWMDJLV-INIZCTEOSA-N 427.309 3.620 0 40 IHAB COC(=O)c1ccc(CN(C)C(=O)C2(S(=O)(=O)c3cc(C)ccc3C)CCCC2)cc1 30513914 MRPRDSGZUCVOKT-UHFFFAOYSA-N 443.565 3.835 0 40 IHAB Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)CC1 30752661 PGFONIAZKMPNMB-UHFFFAOYSA-N 447.988 3.595 0 40 IHAB COc1cc(-c2nc(C)c(C(=O)N[C@@H](CO)c3ccccc3)s2)cc(OC)c1OC 30819554 BEHSSYRENCDAKD-INIZCTEOSA-N 428.510 3.608 0 40 IHAB CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)Oc2ccc(Cl)cc21 30938778 CIGINAAGDFJQCM-HNNXBMFYSA-N 435.716 3.813 0 40 IHAB CCOC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccccc2F)c(Br)c1 32770625 ZRHYLGJDWNLSOT-UHFFFAOYSA-N 430.295 3.586 0 40 IHAB COc1ccc(CNC(=O)c2nnn(-c3ccc(C)cc3)c2-c2cccnc2)c(OC)c1 38487607 MCLVVENOWMIMIP-UHFFFAOYSA-N 429.480 3.585 0 40 IHAB COCc1nn2c(C)c(C(=O)Nc3ccc(OC)cc3)nnc2c1-c1ccc(OC)cc1 40372559 OEIKJOAAORWKHU-UHFFFAOYSA-N 433.468 3.516 0 40 IHAB Cc1cccc(OCC(=O)Nc2ccc(OCc3cc(=O)n4cc(C)sc4n3)cc2)c1 41085611 GEQJTEVVIGUPBC-UHFFFAOYSA-N 435.505 3.969 0 40 IHAB O=C(NCc1cccc2ccccc12)NCC1CCN(C(=O)COc2ccccc2)CC1 43981842 QSGFJTXACDXXLS-UHFFFAOYSA-N 431.536 3.957 0 40 IHAB CC[C@H]1CCCCN1C(=O)Cn1c(=O)n(-c2cc(C)cc(C)c2)c(=O)c2sccc21 57492138 OLOWMELCOOMDFU-KRWDZBQOSA-N 425.554 3.622 0 40 IHAB CCN(C(=O)CN1C(=O)N[C@H](c2cc(C)ccc2C)C2=C1COC2=O)c1cccc(C)c1 67288630 KOIUEHQWQXFHAR-HSZRJFAPSA-N 433.508 3.542 0 40 IHAB CCOC(=O)Cn1ccc2cc(NC(=O)c3ccc(S(=O)(=O)C(C)C)cc3)ccc21 69348640 RMGORVXEKHVDQO-UHFFFAOYSA-N 428.510 3.639 0 40 IHAB COc1ccc(OC)c(CNC(=O)C2CCN(c3cc(Oc4ccccc4)ncn3)CC2)c1 71328237 KFVKFJNYSCDXBL-UHFFFAOYSA-N 448.523 3.819 0 40 IHAB Cn1ccnc1[C@@H](O)c1cccc(F)c1N1CCN(Cc2c(F)cccc2Cl)CC1 72340564 OWHFPNBGBPFJLT-NRFANRHFSA-N 432.902 3.756 0 40 IHAB CN(C)C(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)c2cncc(N)c2)CC1 72345292 NIIZRYWTIRULHM-UHFFFAOYSA-N 442.563 3.884 0 40 IHAB Cc1nc([C@H]2CCCN2C(=O)C2CCCC2)nc2c1CC(=O)N2CCc1ccccc1F 72371913 AARJKTBLFXICEI-OAQYLSRUSA-N 436.531 3.910 0 40 IHAB Cc1cnc(C(=O)N2CCC[C@H]2c2nc(C)c3c(n2)N(Cc2ccc(F)cc2)CCC3)cn1 72373789 KLLWRZYGLCVADU-QFIPXVFZSA-N 446.530 3.953 0 40 IHAB CNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CN(C[C@H](C)c2ccccc2)CCO1 72389168 WHFVWYAFFYCGAW-KDYSTLNUSA-N 429.564 3.912 0 40 IHAB COC(=O)c1ccc(C)c(S(=O)(=O)N2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)c1 78809083 NLUWLBYATRUEGG-IBGZPJMESA-N 439.537 3.740 0 40 IHAB Cn1cc([C@H](O)C[C@@H]2CCCN2C(=O)c2nc(-c3ccccc3)n3c2CCCCC3)cn1 95452750 DDJUJXYCHHYRPQ-RBBKRZOGSA-N 433.556 3.738 0 40 IHAB O=C1C[C@H](N2CCc3c([nH]c4ccccc34)C2)C(=O)N1c1ccc(OC(F)(F)F)cc1 96834555 UBIFFCVIEQPKFB-IBGZPJMESA-N 429.398 3.757 0 40 IHAB biogenic O=C(COc1ccc2c(c1)OCO2)NC[C@H]1CC[C@H](c2nnc(-c3cccs3)o2)CC1 100156320 IJUOTQAIECRXLZ-GASCZTMLSA-N 441.509 3.996 0 40 IHAB Cc1ccc(-c2noc(CN3N=N[C@H]4C(=O)N(c5ccc(C(C)C)cc5)C(=O)[C@H]43)n2)cc1 101262264 BCFJROIYEYSRMY-UXHICEINSA-N 430.468 3.662 0 40 IHAB CCc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)NCc3ccco3)CC2=O)cc1 103717426 SMLAQGWWJJAUEM-GOSISDBHSA-N 431.492 3.764 0 40 IHAB C[C@H](NC(=O)[C@@H](C)N1CCN(CCOc2ccc(Cl)cc2)CC1)[C@@H]1C[C@H]2CC[C@H]1C2 104884852 NHWHUQHXHRGCKV-RUIUOMPFSA-N 434.024 3.666 0 40 IHAB COc1ccc([C@](C)(O)[C@H]2CCCN2S(=O)(=O)c2ccc(C)c3ncccc23)cc1 107542361 YOJVUTYLYMRCJT-GGAORHGYSA-N 426.538 3.613 0 40 IHAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccncc1 108883599 PKJNQZKOIJLFOI-FUHIMQAGSA-N 436.581 3.873 0 40 IHAB COc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(C)c(Cl)c2)c(OC)c1 139051386 ZMYLTDYEPHVUDD-UHFFFAOYSA-N 448.903 3.956 0 40 IHAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCc1nc(-c2ccc(OC)cc2OC)no1 219325753 SBYQBBPTXKPRCM-KRWDZBQOSA-N 431.876 3.881 0 40 IHAB COc1ccc(N([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1OC 220228772 RLVBKDQQARNTNO-NSHDSACASA-N 447.340 3.804 0 40 IHAB CC[C@H](C(=O)NCc1ccccc1OC)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 220685290 BWJXQHPEIFKYAK-MRXNPFEDSA-N 445.368 3.863 0 40 IHAB Cc1cc(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)ccc1N(C)S(C)(=O)=O 222474135 NIDYFYPINJXVGF-UHFFFAOYSA-N 443.569 3.706 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)c3ccccc3)C2)cc1Cl 222606003 JOZJULVFZMIOGV-MRXNPFEDSA-N 436.961 3.802 0 40 IHAB C[C@H](C(=O)NCc1ccc2c(c1)OCO2)N(Cc1ccccc1)C(=O)COc1ccccc1 222775351 LRAYBXZSUMUYEC-LJQANCHMSA-N 446.503 3.528 0 40 IHAB Cc1ccc(C)c(OCCNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)c1 224008601 NOYISBDYEGDCAB-UHFFFAOYSA-N 430.570 3.595 0 40 IHAB CC[C@@H](C(=O)NCCOc1ccc(Cl)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 224312116 LRSJEVDJPPBNBD-FQEVSTJZSA-N 438.977 3.697 0 40 IHAB COC(=O)c1ccccc1NC(=O)c1ccc(CN(C)S(=O)(=O)c2ccccc2)cc1 224406234 CIGHHPNMBMEFBO-UHFFFAOYSA-N 438.505 3.546 0 40 IHAB CCOC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(OC)c(Br)c1 224873637 DZXFYWYFLXQJRV-UHFFFAOYSA-N 442.331 3.525 0 40 IHAB CC[C@@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CCc1ccc2c(c1)OCO2 224970516 HQSOEPNMMQHQKB-QFIPXVFZSA-N 438.568 3.970 0 40 IHAB CCCn1c(=O)sc2cc(S(=O)(=O)N[C@@H]3CCCc4cc(OC)ccc43)ccc21 225733724 RYHGNRTUUIBCBW-GOSISDBHSA-N 432.567 3.838 0 40 IHAB COc1ccc(OC)c([C@@H]2[C@H](C(=O)Nc3ccc(Cl)cc3)[C@H](C)Nc3ncnn32)c1 247939237 FTMPJZDZMYJWJV-GESALYCCSA-N 427.892 3.607 0 40 IHAB CCCC[C@H](NC(=O)COc1ccc([C@@H]2Cc3ccccc3C(=O)O2)cc1C)C(=O)O 256028217 YZXRBTSWMKCPFA-FPOVZHCZSA-N 425.481 3.588 0 40 IHAB CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)Cn1cc(C)cn1 257279950 OIWQGQZABMDRDZ-CAIUVPPLSA-N 434.584 3.583 0 40 IHAB Cc1ccc(CN2C[C@@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccccc2)C3=O)s1 306123356 AKWSGNDEJDIKAF-ZCYQVOJMSA-N 433.577 3.849 0 40 IHAB COC(=O)N1Cc2nnc(-c3cccs3)n2C2(CCN(Cc3ccc(C)s3)CC2)C1 306125252 CKOSABBWLSSHFY-UHFFFAOYSA-N 443.598 3.950 0 40 IHAB Cc1ccc(C(=O)N2CCCC3(CCN(CC(C)C)CC3)[C@H]2CNC(=O)N(C)C)cc1 306138387 RWIPBYQAOSFEGT-JOCHJYFZSA-N 428.621 3.609 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(F)cc3F)C2)cc1Cl 409391326 NBLLFNQKXIYUJV-LBPRGKRZSA-N 444.887 3.666 0 40 IHAB Cn1cc(CC(=O)N2CC[C@@H](c3ccccc3Cl)S(=O)(=O)CC2)c2ccccc21 575617651 QGJUQPHHAPRDST-NRFANRHFSA-N 430.957 3.763 0 40 IHAB CC(C)(C)NS(=O)(=O)CCNC(=O)N[C@@H](c1ccccc1)c1cccc2ccccc12 601257951 XCUAPBRSLQAAIB-QFIPXVFZSA-N 439.581 3.946 0 40 IHAB C[C@]1(NC(=O)[C@H]2CCC(=O)c3ccccc32)CCN(C(=O)[C@@H]2CCC(=O)c3ccccc32)C1 647728428 CMJQZLWGKBPFQH-XXAUWVGASA-N 444.531 3.614 0 40 IHAB O=C(NCCc1cc2ccccc2[nH]1)[C@@H]1CCCN1C(=O)c1ccccc1OC(F)F 676403399 KGVBVMMWABIIJN-IBGZPJMESA-N 427.451 3.733 0 40 IHAB Cc1ccc(C(N)=O)cc1NC(=O)c1csc(C2CCN(C(=O)OC(C)(C)C)CC2)n1 1190696331 UZVFHAALVWSOEJ-UHFFFAOYSA-N 444.557 3.917 0 40 IHAB Cn1nc(-c2ccco2)cc1NC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 1256712521 LOZUVUUXUGKROI-LJQANCHMSA-N 435.311 3.999 0 40 IHAB CC[C@@H]1NC(=O)N(c2cccc(NC(=O)NC[C@H](O)c3ccc4ccccc4c3)c2)C1=O 1562873403 YLLIHSXMBIEXIB-SFTDATJTSA-N 432.480 3.530 0 40 IHAB Cc1ccc2cc(CN(C[C@@H]3CCCO3)S(=O)(=O)c3ccc(F)cc3)c(=O)[nH]c2c1C 914405 NMXXPMQWQBZYRE-FQEVSTJZSA-N 444.528 3.654 0 40 IHAB CCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 955890 QPTHKEHIFHSLTO-LJQANCHMSA-N 425.876 3.758 0 40 IHAB Cc1cc(O[C@@H](C)C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c2c3c(c(=O)oc2c1)CCCC3 2111327 UWTGYNAKLDLHOU-CUAXAMRHSA-N 439.552 3.901 0 40 IHAB O=C(c1nn2c(C(F)(F)F)c3c(nc2c1Cl)-c1ccccc1CC3)N1CCOCC1 2474664 XGBVZGWRBPRSIT-UHFFFAOYSA-N 436.821 3.640 0 40 IHAB C[C@@H](CCc1ccccc1)NC(=O)COC(=O)c1ccccc1I 3265382 JEXPEXBWPFTJCA-AWEZNQCLSA-N 437.277 3.586 0 40 IHAB CC(=O)Nc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccco2)cc1 3372656 SVHSQVHIHDAXBV-UHFFFAOYSA-N 448.504 3.727 0 40 IHAB CCOc1cc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3S[C@H](C)C(=O)N32)ccc1OC(C)=O 3636551 UXLXVMBCDQBBCY-BFUOFWGJSA-N 446.525 3.611 0 40 IHAB C[C@@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)C(=O)NC[C@H](O)c1ccccc1 9044773 BABOHPLXPKWQIW-VLIAUNLRSA-N 441.911 3.942 0 40 IHAB COc1cccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)c1 9094880 AQFPVQVVNSLBDF-OAQYLSRUSA-N 444.940 3.877 0 40 IHAB Cc1ccc(-c2nc3scc(CCNC(=O)C(=O)Nc4ccccc4Cl)n3n2)cc1 9568975 CVZPGSSCCGXGQK-UHFFFAOYSA-N 439.928 3.717 0 40 IHAB CC(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(Cl)cc3Cl)C2=O)cc1 9631896 SGFSXILMZWHOLW-HXUWFJFHSA-N 434.279 3.602 0 40 IHAB CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@H]3c3cccs3)CC2)c1 9713562 RTTJAKAPPBWHQY-HXUWFJFHSA-N 446.594 3.715 0 40 IHAB C[C@H](NC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O)c1ccc2c(c1)OCCO2 9871701 PGNIYIHMOSTIHH-HNNXBMFYSA-N 447.516 3.774 0 40 IHAB COC(=O)[C@H](CC(C)C)NC(=O)C[C@H](C)CC(=O)Nc1cccc(Br)c1 10038555 QIXAMARBBVHFKX-CJNGLKHVSA-N 427.339 3.508 0 40 IHAB COc1ccc2c(=O)c3c(oc2c1)C(=O)N(c1nnc(C)s1)[C@@H]3c1ccccc1OC 10233239 CWJYFDYRSCFOCL-GOSISDBHSA-N 435.461 3.720 0 40 IHAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccccc2OCc2noc(C)n2)c1C 10562241 QLNJHYAGKCRVHO-CQSZACIVSA-N 425.441 3.533 0 40 IHAB CCOCc1c(C(=O)OCC(=O)NCCc2ccc(OC)c(OC)c2)oc2ccccc12 11243524 ILOZCGWVCGNQKU-UHFFFAOYSA-N 441.480 3.502 0 40 IHAB O=C(c1cc(-c2ccccc2)on1)N(Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 12062468 TYXAQOSVTYHWJJ-KRWDZBQOSA-N 430.913 3.825 0 40 IHAB Cc1cc(NC(=O)[C@H](C)Sc2nnc(CN3CCCCC3)n2Cc2ccccc2)no1 12136298 KRMALLFWOFGABE-KRWDZBQOSA-N 440.573 3.728 0 40 IHAB O=C(Cn1c(=O)n2nc(-c3ccccc3)nc2c2c3c(sc21)CCC3)Nc1ccccc1 12391727 ZPXFIKKZIDJYAM-UHFFFAOYSA-N 441.516 3.900 0 40 IHAB Cn1cccc1C(=O)NC(=O)COC(=O)c1c2c(nc3ccccc13)CC[C@@H](C(C)(C)C)C2 12540539 AIBPCBBAHKTDCA-MRXNPFEDSA-N 447.535 3.838 0 40 IHAB COc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cc1OC 12548437 SNKQKVBHUBFJLS-UHFFFAOYSA-N 430.457 3.896 0 40 IHAB COc1ccc(-c2noc(CNC(=O)[C@H](C)Oc3ccc(Cl)c(C)c3)n2)cc1OC 12654678 ODRCCJZOAOIKFO-ZDUSSCGKSA-N 431.876 3.799 0 40 IHAB CCOc1ccc([C@H](CNC(=O)c2cc(Cl)ccc2OC)N2CCOCC2)cc1OC 12781979 ULTBZDQDFGJTHH-IBGZPJMESA-N 448.947 3.559 0 40 IHAB COC(=O)c1ccc(C)c(NC(=O)/C(=C/c2ccco2)n2nnnc2-c2ccccc2)c1 12790509 HJERPASGLHXMJK-ZHZULCJRSA-N 429.436 3.665 0 40 IHAB Cc1ccc(NS(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)cc1F 12794599 DFLPOOWYFCVBNG-UHFFFAOYSA-N 428.272 3.788 0 40 IHAB COc1ccc([C@H]2CCCCCN2CC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1 12995353 RJIQAJDGOKLAFS-JOCHJYFZSA-N 445.585 3.501 0 40 IHAB COc1cc2ccccc2cc1C(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 13001129 XMYJDVISDNIIAH-UHFFFAOYSA-N 431.536 3.862 0 40 IHAB CCc1ccc(Cn2nccc2NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)cc1 13006363 TUGPOYBSWBVDJI-UHFFFAOYSA-N 446.960 3.650 0 40 IHAB O=C(COc1ccc(C2SCCCS2)cc1)OCCN1C(=O)c2ccccc2C1=O 13017412 JQCBOZGEWHAQTI-UHFFFAOYSA-N 443.546 3.774 0 40 IHAB C[C@H]1C[C@@H](C)CN(C(=O)Cn2c(SCC(=O)NCc3ccco3)nc3ccccc32)C1 13082976 KCUBJXFTGKLWOT-CALCHBBNSA-N 440.569 3.542 0 40 IHAB CCC(CC)C(=O)N1CCC[C@H](c2nc(O)c3nnn(Cc4ccccc4Cl)c3n2)C1 13083526 ABXNSZYRVWESTM-INIZCTEOSA-N 442.951 3.771 0 40 IHAB CC(C)NC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1CCC1=CCCCC1 13141118 UGZAWLFAPCFPGC-UHFFFAOYSA-N 428.558 3.613 0 40 IHAB O=C(NCc1ccccc1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 13682737 ARTORAYNDXXDEJ-KRWDZBQOSA-N 441.380 3.852 0 40 IHAB CCCCNC(=O)c1ccccc1NC(=O)[C@@H](CC)N(c1ccc(F)cc1)S(C)(=O)=O 13686465 IERDPDFNLMGHHN-HXUWFJFHSA-N 449.548 3.539 0 40 IHAB O=C(COc1cc(Cl)c(Cl)cc1Cl)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 14241422 IQMQBVZKYWWVON-LBPRGKRZSA-N 440.776 3.984 0 40 IHAB Cc1sc2ncn(CC(=O)Nc3nc(CN4C[C@@H](C)C[C@H](C)C4)cs3)c(=O)c2c1C 14528915 NYKPBDQJMJPQEC-STQMWFEESA-N 445.614 3.648 0 40 IHAB O=C(CNC(=O)Cc1cccc2ccccc12)NCc1ccc(COCC(F)(F)F)cc1 14728545 AFKBECLLYORUFC-UHFFFAOYSA-N 444.453 3.894 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C)N2CCC[C@@H](C(F)(F)F)C2)ccc1C 16591143 GUGFCFFOYZJOAD-HZPDHXFCSA-N 449.539 3.627 0 40 IHAB COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)Sc1n[nH]c(=O)n1Cc1ccccc1 16818793 ZJUWQFRARDJOEM-CYBMUJFWSA-N 432.933 3.709 0 40 IHAB Cc1ccc(NC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)c(Br)c1 16925858 NRRKZAUWTYJBJB-UHFFFAOYSA-N 428.286 3.646 0 40 IHAB Cc1cc(-c2cnc(NC3CC3)nc2C2CCN(C(=O)c3n[nH]c4c3CCCC4)CC2)on1 19122967 OQDYICQRDRILAD-UHFFFAOYSA-N 447.543 3.636 0 40 IHAB O=C(c1ccccc1)N1CCCC[C@@H]1c1nc(O)c2c(n1)CN(Cc1ccncc1)CC2 19368819 YSFOPJIZZYMOOT-JOCHJYFZSA-N 429.524 3.503 0 40 IHAB CC(C)c1cc(C(=O)N2CCNC(=O)[C@@H](Cc3ccc(-c4ccccc4F)cc3)C2)[nH]n1 19451863 QRKJQIKIGBYBPI-IBGZPJMESA-N 434.515 3.770 0 40 IHAB CC(C)c1ncc(CN[C@H](Cc2cc(=O)[nH]c(-c3ccccn3)n2)c2ccccc2)cn1 19454136 ZGQRDBDFJLWDSY-JOCHJYFZSA-N 426.524 3.819 0 40 IHAB COc1ccc(OC)c(C(=O)N2CCC[C@@H](c3cc(N(C)C)nc(-c4cccnc4)n3)C2)c1 19584388 GENCARIFXVMABL-GOSISDBHSA-N 447.539 3.642 0 40 IHAB CCc1nccn1CC(=O)N1CCCC[C@H]1c1nc(N(C)C)ncc1-c1ccc(OC)cc1 19694644 WMIYZMINMMIYJG-NRFANRHFSA-N 448.571 3.731 0 40 IHAB CNc1cc([C@@H]2CCCNC2)nc(CN(C)Cc2ccc(OC3CCCC3)c(OC)c2)n1 19710017 VZGWVNNBEIFBEY-LJQANCHMSA-N 439.604 3.947 0 40 IHAB CCOCc1ccc(C(=O)N2CC[C@](Cc3cc(C4CCCCC4)no3)(C(N)=O)C2)cc1 19739212 BTZGMMXVVIDWMK-RUZDIDTESA-N 439.556 3.819 0 40 IHAB Cc1nc(C2CCN(Cc3cnc(C(C)C)nc3)CC2)nc2c1CCC(=O)N2CC1CC1 19739276 FFVZGXWEBYQEDK-UHFFFAOYSA-N 434.588 3.767 0 40 IHAB Cc1onc(C(C)C)c1C(=O)N1CCC[C@@H](c2cc(C(F)(F)F)c3c(N)n[nH]c3n2)C1 19742160 UYRVLGNHWVHMOB-LLVKDONJSA-N 436.438 3.999 0 40 IHAB CNC(=O)c1cc([C@H]2CN(Cc3cn(C)c4cc(OC)ccc34)CCO2)nc2ccccc12 19762052 WLQUFJVIFXLOMZ-RUZDIDTESA-N 444.535 3.668 0 40 IHAB COc1ccc(NC(=O)c2cnc([C@@H]3CCN(C(=O)Cc4cccc(F)c4)C3)nc2C)cc1 19766232 DDLOVNRWUYTTRC-GOSISDBHSA-N 448.498 3.744 0 40 IHAB Cc1ccccc1[C@@H](NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1)c1ccccc1 20034722 ADZAQLIJZLZPAV-QHCPKHFHSA-N 437.565 3.757 0 40 IHAB COCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)n2c1nc1ccccc12 20103462 QWFAEKGLEBIALO-IBGZPJMESA-N 426.904 3.951 0 40 IHAB Cc1ccccc1[C@H](NC(=O)CN(c1ccccc1F)S(C)(=O)=O)c1ccccc1 20484756 BPPRBXLOGSQSAG-HSZRJFAPSA-N 426.513 3.806 0 40 IHAB CCn1cc2nc(SCC(=O)Nc3ccc(C)cc3)n(Cc3ccccc3)c(=O)c2n1 20981789 LULIACUFZYWRBV-UHFFFAOYSA-N 433.537 3.700 0 40 IHAB C[C@@H](NC(=O)CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O)c1ccccc1Cl 21329078 UDZFRTMLKIWKMH-CMJOXMDJSA-N 425.916 3.691 0 40 IHAB C[C@@H]1C[C@@H](C)CN(Cc2csc(NC(=O)c3ccc(CN4C(=O)CCC4=O)cc3)n2)C1 22294885 NHUPRFMOZKTJOB-HZPDHXFCSA-N 440.569 3.522 0 40 IHAB COc1ccc(-c2noc(CN3C(=O)N[C@@](C)(c4cccc5ccccc45)C3=O)n2)cc1 23982536 GCHFXUKXJBSKFV-DEOSSOPVSA-N 428.448 3.866 0 40 IHAB Cc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCCN2CCOCC2)cc1 24192923 WAFQKMKNCAEQGK-QFIPXVFZSA-N 436.483 3.508 0 40 IHAB COc1ccc(CCNS(=O)(=O)c2ccc(SC)c(C(=O)N3CCCCC3)c2)cc1 26116016 MJGIAEASOOAIMQ-UHFFFAOYSA-N 448.610 3.564 0 40 IHAB Cc1ccc(C(=O)c2ccccc2C(=O)N2CCN(C(=O)c3ccccc3F)CC2)cc1 27832661 ZFHIORARLSJFHL-UHFFFAOYSA-N 430.479 3.963 0 40 IHAB Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)NC(c1ccccc1)c1ccccc1 28207574 UDERCMJXSYSRKY-UHFFFAOYSA-N 438.549 3.530 0 40 IHAB C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)cn1C)c1ccc(Cl)cc1Cl 32193221 LXJKVDQEBLPDEP-GFCCVEGCSA-N 430.357 3.607 0 40 IHAB O=C(c1c[nH]c2ccccc12)[C@@H](NCCCN1C(=O)NC2(CCCC2)C1=O)c1ccccc1 32514148 XVYGHATWTGJCCZ-QFIPXVFZSA-N 444.535 3.936 0 40 IHAB CC1=CC(=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)C=C(C)N1CCO 32619756 FYZUGPCVFOHUFS-UHFFFAOYSA-N 445.544 3.763 0 40 IHAB COc1ccc(CN(C)C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)cc1 32750535 SSQCRWQMMQYNAV-UHFFFAOYSA-N 436.961 3.795 0 40 IHAB O=C(Cn1nc2c(Oc3ccccc3)nc3ccccc3n2c1=O)Nc1ccc(F)cc1 35425048 LBDGHKGDUNNYAX-UHFFFAOYSA-N 429.411 3.614 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(Cc4ccc(F)cc4)o3)C2)cc1 35596935 LTWYPOVMRZUALZ-KRWDZBQOSA-N 445.516 3.767 0 40 IHAB CCc1cccc2c(/C=C3\NC(=S)N(CC)C3=O)cn(CC(=O)N3CCCC[C@H]3C)c12 39556383 LHRUIKCSDFMYSZ-FPXKJXHESA-N 438.597 3.682 0 40 IHAB COc1cc(Cl)c(C)cc1NC(=O)COC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1 39588664 OTMHNOFKBRSRDO-VOTSOKGWSA-N 449.887 3.878 0 40 IHAB O=C(CCCN1C(=O)c2ccccc2C1=O)NCc1cccnc1Oc1cccc(F)c1 40094193 PHEWJNLKJKIEEP-UHFFFAOYSA-N 433.439 3.706 0 40 IHAB O=C1C[C@@H](C(=O)Nc2ccccc2Cl)c2c(nc(Nc3ccc(Cl)cc3)[nH]c2=O)N1 40399207 FHIWVNCZLQGCPD-GFCCVEGCSA-N 444.278 3.885 0 40 IHAB CCOC(=O)c1ccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)cc1Cl 44885963 RUFNUKGKDJROGR-UHFFFAOYSA-N 431.297 3.794 0 40 IHAB O=C(Cn1cnc2nc(N3CCCCC3)sc2c1=O)Nc1ccccc1C(F)(F)F 45970215 FTGMNJYPEOZSSM-UHFFFAOYSA-N 437.447 3.501 0 40 IHAB Cc1cccc(C)c1NC(=O)CN1CN(c2cccc(F)c2)c2ncccc2S1(=O)=O 49411528 KYIXLERHNLTBLP-UHFFFAOYSA-N 440.500 3.576 0 40 IHAB O=C(Cn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2sccc21)Nc1cccc(F)c1 57491940 QRSPXXYKBBRAJD-UHFFFAOYSA-N 429.860 3.645 0 40 IHAB CC(=O)c1cccc(NC(=O)Cn2c(=O)n(-c3ccc(C)cc3C)c(=O)c3sccc32)c1 57493056 PMCNTSQOCHLHRC-UHFFFAOYSA-N 447.516 3.672 0 40 IHAB O=C(NCC(=O)N1CCc2[nH]c3c(Br)cccc3c2C1)c1ccc(F)c(F)c1 71823396 NIVJOFNVFPSYHT-UHFFFAOYSA-N 448.267 3.523 0 40 IHAB O=C(N[C@H]1CCc2ccc(S(=O)(=O)N(Cc3ccccn3)C3CC3)cc21)C1CCCC1 72345850 QVFCWBXIHPKFNC-QHCPKHFHSA-N 439.581 3.729 0 40 IHAB COc1cc2c(cc1CN1CCC[C@H](c3ccc(Nc4ncccn4)cn3)C1)OCCO2 72353458 NTEZCKUAVKCCCB-KRWDZBQOSA-N 433.512 3.775 0 40 IHAB CC1=NN(CCC(=O)N2CCCC[C@@H]2Cc2c(C(=O)N(C)C)sc3ccccc23)CC1 72370603 UHEARBDGSGJLAA-GOSISDBHSA-N 440.613 3.998 0 40 IHAB CC(C)(C)c1ccc(OCC(=O)N2CCC([C@@H]3C[C@H](C(F)F)n4ncnc4N3)CC2)cc1 72395687 DMIBQGBKMWYUPJ-RBUKOAKNSA-N 447.530 3.884 0 40 IHAB O=C(Cc1ccc(-n2cnnn2)cc1)NC1(c2noc(CC3CCCC3)n2)CCCCCC1 89783475 RINNRQABQQQNQA-UHFFFAOYSA-N 449.559 3.686 0 40 IHAB Cc1cc(C)n(-c2nc(CCNC(=O)COc3ccc(Cl)cc3Cl)cs2)n1 90609317 NRAGLWFMKWDKLL-UHFFFAOYSA-N 425.341 3.990 0 40 IHAB COC(=O)c1nc(NC(=O)COc2cc3oc(=O)c(C)c(C)c3cc2Cl)sc1C 95474238 UGQHYAMFVPTOGS-UHFFFAOYSA-N 436.873 3.632 0 40 IHAB O=C(CCC(=O)N1CCC(c2ccccc2)=N1)Nc1c(-c2ccco2)nc2ccccn12 95964300 DWJYRJWQDLPHLG-UHFFFAOYSA-N 427.464 3.950 0 40 IHAB COCCN1C(=O)[C@@H]2C[C@@H](CN2Cc2ccc(OC(F)(F)F)cc2)Oc2ccccc21 96111930 ZHKLDWFLJUQCLR-HKUYNNGSSA-N 436.430 3.600 0 40 IHAB biogenic,in-vitro COc1ccc(-c2noc(CNC(=O)[C@H](C)Oc3cc(C)cc(C)c3C)n2)c(OC)c1 219304106 BYODPDHKTPIHFH-INIZCTEOSA-N 425.485 3.763 0 40 IHAB COc1ccc(OC)c(N([C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1 220208252 XVQDWIJAEOPOEZ-LBPRGKRZSA-N 446.447 3.516 0 40 IHAB C[C@H](C(=O)N[C@H]1CC(C)(C)Oc2ccccc21)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220460522 SQNVASIGLCBVIU-ACJLOTCBSA-N 438.496 3.538 0 40 IHAB CCCOc1ccc(N(CC(=O)NCc2cccc3ccccc23)S(C)(=O)=O)cc1 222867749 HGBBHHZZOQBDOF-UHFFFAOYSA-N 426.538 3.711 0 40 IHAB C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccc2c(c1)CCC2 223257926 VKYCGEXETYKDPV-INIZCTEOSA-N 430.545 3.593 0 40 IHAB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(C)n1-c1cccnc1 223717747 ZGPYWZUXJASVET-FGZHOGPDSA-N 435.553 3.501 0 40 IHAB COC(=O)c1cc(NC(=O)c2ccc(OC)c(COCC(C)C)c2)cc(C(=O)OC)c1 224455334 YEDUUKWOKXWBAG-UHFFFAOYSA-N 429.469 3.693 0 40 IHAB COC(=O)CN(c1ccc(Br)cc1F)S(=O)(=O)c1ccc(Cl)cc1 224716394 AQZNXUUYTWLCNR-UHFFFAOYSA-N 436.686 3.610 0 40 IHAB CS(=O)(=O)N(CC(=O)Nc1ccc(N2CCCCC2)cc1)Cc1ccccc1Cl 224979288 ZUYDOTFHDUPVTA-UHFFFAOYSA-N 435.977 3.731 0 40 IHAB CCOC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccc2ccccc2c1 225049497 SMFPTNIMZKQOMZ-UHFFFAOYSA-N 429.494 3.615 0 40 IHAB COc1ccc(CCNC(=O)c2ccccc2NC(=O)Cc2ccc(F)cc2)cc1OC 225856794 AMCWKQVGZMJGSV-UHFFFAOYSA-N 436.483 3.997 0 40 IHAB Cc1ccc(CC(=O)N2CC[C@@H](c3nc(C)c(CC(=O)N4CCCCC4)c(C)n3)C2)cc1 257290107 QBQAFZKLIASSTL-JOCHJYFZSA-N 434.584 3.515 0 40 IHAB O=C(NCCc1cccs1)c1cnn2c1CN(Cc1ccsc1)Cc1cccnc1-2 306133740 MTYBMEDCVDKMMC-UHFFFAOYSA-N 435.578 3.879 0 40 IHAB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1ccc(F)cc1 408656523 SVWYXVLRNNCQJV-IAGOWNOFSA-N 442.874 3.894 0 40 IHAB COc1cccc(C2=N/C(=C\c3ccccc3OC(=O)c3ccc4c(c3)OCO4)C(=O)O2)c1 409189481 PKVFORWEIVYPSB-UNOMPAQXSA-N 443.411 3.988 0 40 IHAB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)cc(OC)c1 409344976 LVBZPMZIJPOUMH-VXLYETTFSA-N 426.494 3.996 0 40 IHAB CC1(c2cccc(Br)c2)CCN(CCN2C(=O)NC3(CCCC3)C2=O)CC1 509079801 POOZETKMZBVSAR-UHFFFAOYSA-N 434.378 3.667 0 40 IHAB O=C1COc2cc(S(=O)(=O)N3CCC[C@H](c4cc5ccccc5[nH]4)C3)c(Cl)cc2N1 1115866072 KVWLERROAHFDDB-AWEZNQCLSA-N 445.928 3.721 0 40 IHAB CCCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nc2sc3c(c2c1=O)CCC3 2655972 WDNJIUMUUCRWTC-UHFFFAOYSA-N 443.550 3.816 0 40 IHAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)N1CCN(c2ncccn2)CC1 3360731 ADRSVRSLIZRCOT-MDZDMXLPSA-N 442.548 3.753 0 40 IHAB O=C(COc1ccc(Br)cc1Br)NCc1ccc2c(c1)OCO2 3515814 NUSMMWIXHAQYSF-UHFFFAOYSA-N 443.091 3.636 0 40 IHAB COc1ccc(CNC(=O)[C@@H](C)OC(=O)CSc2nccn2-c2ccccc2C)cc1 8724488 QTYQPNRYQYJXQG-QGZVFWFLSA-N 439.537 3.530 0 40 IHAB CCNC(=O)NC(=O)[C@@H](Sc1nnc2c3ccccc3n(CC)c2n1)c1ccccc1 8780136 YMYTYNUIVGLGJZ-SFHVURJKSA-N 434.525 3.679 0 40 IHAB CC1(C)CCc2c(cc(OCC(=O)NCc3cccnc3)c3c4c(c(=O)oc23)CCCC4)O1 8792043 CZMWFCVRVCIBEO-UHFFFAOYSA-N 448.519 3.866 0 40 IHAB biogenic COc1ccc(S(=O)(=O)N(CC(=O)N(C)C2CCCCC2)Cc2ccccc2)cc1 9120178 GESADTDTSNMXFV-UHFFFAOYSA-N 430.570 3.677 0 40 IHAB Cc1cccc(NC(=O)CNC(=O)COC(=O)c2c3c(nc4ccccc24)CCCC3)c1C 9284044 QEAHMICSHZGZJE-UHFFFAOYSA-N 445.519 3.642 0 40 IHAB O=C(c1ccccc1Cl)N(Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 9345338 JOXZNDODVOEITG-OAHLLOKOSA-N 442.762 3.932 0 40 IHAB COc1cc(OC)cc(C(=O)Nc2c3c(nn2-c2cccc(C)c2C)C[S@@](=O)C3)c1 9413788 FTNZXYTWLVJXRZ-SSEXGKCCSA-N 425.510 3.521 0 40 IHAB CCNc1ccc(S(=O)(=O)N(CC)CC)cc1NS(=O)(=O)c1ccc(Cl)cc1 9613111 RHSLFXSJARYECH-UHFFFAOYSA-N 445.994 3.603 0 40 IHAB CCS(=O)(=O)c1cccc(C(=O)N(CCCN(C)C)c2nc3ccccc3s2)c1 9707922 OAVKOWFDJCORAX-UHFFFAOYSA-N 431.583 3.688 0 40 IHAB COCCn1c(SCc2cc3c(cc2Br)OCO3)nc2ccccc2c1=O 10023517 JKZKKIWQXLSCEQ-UHFFFAOYSA-N 449.326 3.826 0 40 IHAB CN1CCN(c2ccc(-c3cccc(NC(=O)c4c(F)cccc4Cl)c3)nn2)CC1 10186602 ACZCDJKTGACQQR-UHFFFAOYSA-N 425.895 3.940 0 40 IHAB C[C@H](C(=O)N1CCC2(CC1)C[C@@]1(CO2)NC(=O)c2cc(Cl)ccc2N1)c1ccccc1 12085530 FXULNVWODIJXFU-FYSMJZIKSA-N 439.943 3.777 0 40 IHAB COc1ccc(C2=NN(CC(=O)N3CCCCC3)C(=O)c3cc4ccccc4n3C2)cc1 12113609 VMNFXQOLLRPFFA-UHFFFAOYSA-N 430.508 3.523 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3OC)cc2)cc1 12485414 QJFRGGHBODNVOL-UHFFFAOYSA-N 442.493 3.522 0 40 IHAB COC(=O)c1c(NC(=O)CNc2ccc(C(=O)N(C)C)cc2)sc2c1CCCCC2 12561800 PDNAIAGRKMVFDZ-UHFFFAOYSA-N 429.542 3.556 0 40 IHAB COc1ccc(/N=c2\oc3c(OC)cccc3cc2C(=O)NC[C@H]2CCCO2)cc1OC 12706087 GTLUAZQYIHWNKU-HIDBMEOHSA-N 438.480 3.600 0 40 IHAB O=C(c1ccc(F)cc1Cl)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 12791726 RDDDYTBEUNBNJV-UHFFFAOYSA-N 436.936 3.505 0 40 IHAB CCCc1ccc(-c2csc(NC(=O)CCc3c(C)nc4nc(N)nn4c3C)n2)cc1 12795650 PVJSNTZCKTWZSN-UHFFFAOYSA-N 435.557 3.971 0 40 IHAB Cc1cc(-c2cc(C(=O)NCC(=O)N3CCCC3)c3cnn(C(C)C)c3n2)c(C)s1 12802715 OCOIIICBGQBRLO-UHFFFAOYSA-N 425.558 3.710 0 40 IHAB Cc1c(CC(=O)NCc2ccc3c(c2)OCO3)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 12886967 OTWXGVQJJOHOGS-UHFFFAOYSA-N 435.476 3.793 0 40 IHAB biogenic C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1c(C(=O)N2CCOCC2)oc2ccccc12 12906796 VQTGPZCCVQVVHC-CQSZACIVSA-N 428.872 3.965 0 40 IHAB Cc1ccccc1NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 13056293 BXCWACPATFCVHQ-LJQANCHMSA-N 443.613 3.626 0 40 IHAB O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)Nc1ccccc1C(=O)NC1CC1 13114552 WWDLMOOMSDHATO-UHFFFAOYSA-N 447.564 3.827 0 40 IHAB COc1cccc(NC(=O)Cn2c(C)nc3c(sc(=S)n3Cc3ccco3)c2=O)c1 13592575 ABUNMWKVWBJPJV-UHFFFAOYSA-N 442.522 3.586 0 40 IHAB C[C@H](NC(=O)CSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[nH]1)c1ccccc1 15634565 UDUHCMQNCWRQOK-ZDUSSCGKSA-N 439.928 3.732 0 40 IHAB CC(C)(C)C(=O)[C@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN21 15974768 MVBFBZGUDXDXJB-MTQWCTHYSA-N 435.911 3.834 0 40 IHAB C[C@@H]1CC[C@@H]2C(=O)N(c3cccc(OC(=O)[C@H]4CC(=O)N(c5ccccc5)C4)c3)C(=O)[C@@H]2C1 18244697 WOJFIYOWTOKWHS-XKPGHWPRSA-N 446.503 3.571 0 40 IHAB Cc1ccc([C@@H](Cc2ccsc2)NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)nc1 19215669 ISORDPKNLVUUOS-OAQYLSRUSA-N 441.578 3.841 0 40 IHAB O=C(CC1CCCC1)N1CCc2nc([C@H]3CCCCN3C(=O)c3ccccc3)[nH]c(=O)c2C1 19368838 HQFXEEKXQNQLST-JOCHJYFZSA-N 448.567 3.602 0 40 IHAB CCCc1cc(C(=O)N2CCC(c3n[nH]cc3C(=O)N(C)Cc3ccccc3)CC2)no1 19525284 UXAGOGCTHPYABV-UHFFFAOYSA-N 435.528 3.642 0 40 IHAB Cc1cc(C)cc(O[C@@H](C)C(=O)N2CCC(c3cc(C(F)F)n4ncnc4n3)CC2)c1 19569678 AAARSKCIKJAEAU-HNNXBMFYSA-N 429.471 3.852 0 40 IHAB COc1ccccc1-c1ccccc1C[C@@H]1CN(C(=O)c2ccccc2F)CCNC1=O 19571808 PXTSBWXGDDGLHI-LJQANCHMSA-N 432.495 3.932 0 40 IHAB CNC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CCN(C(=O)Cc2cccc(OC)c2)C1 19591497 VXZGSARKDWYXRH-MHZLTWQESA-N 443.547 3.507 0 40 IHAB CNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN(Cc2cccnc2NC)C1 19592039 GIXKLNDPYSIOQI-AREMUKBSSA-N 429.568 3.756 0 40 IHAB Cc1nc([C@H]2CCCN(C(=O)C(C)C)C2)nc2c1CCC(=O)N2CCc1ccc(F)cc1 19739427 QHPATNNHSBIPJP-IBGZPJMESA-N 438.547 3.808 0 40 IHAB COc1cccc(CNc2cc(CC3CCN(C(=O)C[C@H]4CCCO4)CC3)nc(C)n2)c1 19758709 PXGLOYNEWARWCM-HSZRJFAPSA-N 438.572 3.756 0 40 IHAB Cc1ncc(C(=O)NC2CCCCC2)c([C@@H]2CCCN2S(=O)(=O)Cc2ccccc2)n1 19766731 HCPXXFQHWQNOSE-NRFANRHFSA-N 442.585 3.514 0 40 IHAB COC(=O)c1ccccc1NC(=O)C1=C(c2ccccc2)c2ccccc2N(C)S1(=O)=O 20063417 CPDGRHPMJUTFMU-UHFFFAOYSA-N 448.500 3.651 0 40 IHAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc(CN2CCCCC2)cc1 20111547 HDOQJGDWMQCWLE-UHFFFAOYSA-N 445.585 3.620 0 40 IHAB CC(C)n1cnc2nc(COc3ccc(NC(=O)c4ccc(Cl)cc4)cc3)cc(=O)n21 21796947 MBPOUPLTGOJXJY-UHFFFAOYSA-N 437.887 3.957 0 40 IHAB O=C(OCc1cc(Cl)c2c(c1)OCCO2)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 21863958 ZDGQHRBSZVSIIB-MRXNPFEDSA-N 433.863 3.846 0 40 IHAB CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)C(C)(C)Oc1ccc(Cl)cc1 21972611 KVGUGGXCSKRCJH-UHFFFAOYSA-N 438.977 3.642 0 40 IHAB O=C(NC1CC1)c1cc(SCC(=O)N2CCN(c3ccccc3)CC2)nc2ccccc12 22417213 VNLWSOLCBJKIEO-UHFFFAOYSA-N 446.576 3.568 0 40 IHAB O=S(=O)(NC[C@@H](c1cccc2ccccc12)N1CCOCC1)c1ccc(Cl)cc1 23108194 CXBFPVWBCLCPGH-QFIPXVFZSA-N 430.957 3.845 0 40 IHAB COCCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)c(Cl)c2)n2c1nc1ccccc12 23411207 VWJLPNSMQFDQDT-SFHVURJKSA-N 430.867 3.782 0 40 IHAB COCCCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2C)n2c1nc1ccccc12 23411221 RZCSZEYYWYVAQM-LJQANCHMSA-N 426.904 3.951 0 40 IHAB COCCOc1cc(NS(=O)(=O)c2ccc(C)cc2Br)ccc1OC 24955504 ZKANGDAFLVFQHT-UHFFFAOYSA-N 430.320 3.592 0 40 IHAB O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 26481519 JITDBNPDTUOWBN-INIZCTEOSA-N 438.440 3.675 0 40 IHAB Cc1cccc(OCC(=O)Nc2ccccc2OCc2cc(=O)n3ccc(C)cc3n2)c1 33067980 AAPVWCWMMAPDGX-UHFFFAOYSA-N 429.476 3.908 0 40 IHAB COc1ccccc1N1CCN(C(=O)CSc2ncnc3c2[nH]c2ccc(C)cc23)CC1 33172537 RTDJYSLWJFMULO-UHFFFAOYSA-N 447.564 3.869 0 40 IHAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 33741134 DGODLEXIOOXLIK-RNHBDSLOSA-N 446.572 3.922 0 40 IHAB COc1ccccc1-n1nnc(C(=O)NCc2ccc(SC)cc2)c1-c1ccccn1 49406927 ZTPOPLNJZNHOSJ-UHFFFAOYSA-N 431.521 3.990 0 40 IHAB O=C(Nc1nncs1)c1cnn(-c2ccc(Br)cc2F)c1-n1cccc1 49546651 SGVWQJJMBXLISY-UHFFFAOYSA-N 433.266 3.668 0 40 IHAB CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)COc3cc(C)cc(C)c3)cc2)s1 54360561 QUTMHZUUFYRAMJ-UHFFFAOYSA-N 446.554 3.536 0 40 IHAB CN(CC(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1)C1=NS(=O)(=O)c2ccccc21 59119720 FVGTYWRNBFJZJE-GOSISDBHSA-N 431.533 3.500 0 40 IHAB CC(=O)c1cccc(S(=O)(=O)Nc2cccc(NC(=O)CN3CCCCCC3)c2)c1 69458797 AVLGDUQUMREXCJ-UHFFFAOYSA-N 429.542 3.505 0 40 IHAB O=C(Cn1cc(Br)ccc1=O)Nc1nc(-c2cc(F)ccc2F)cs1 71875084 HTJNEUAAXXHDFC-UHFFFAOYSA-N 426.242 3.651 0 40 IHAB Cc1cc(C)n(CCCC(=O)N2CCN(C)C(=O)[C@H]2Cc2cccc(-c3ccccc3)c2)n1 72351798 GNIWKIYLROQRGB-RUZDIDTESA-N 444.579 3.859 0 40 IHAB COC(=O)c1cccc(NC(=O)CCCN(c2cccc(C)c2C)S(C)(=O)=O)c1C 222632587 WPVNVCYMQIBVDY-UHFFFAOYSA-N 432.542 3.583 0 40 IHAB CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)COc1cc(C)cc(C)c1 223017204 JHVWZXXNHNDYAF-QGZVFWFLSA-N 447.373 3.998 0 40 IHAB COc1ccc(C(=O)N2c3ccc(S(=O)(=O)N4CCCCC4)cc3C[C@H]2C)cc1C 223109990 KCPZWFBWLGNOEW-QGZVFWFLSA-N 428.554 3.770 0 40 IHAB CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccc(OC)cc1 223923756 FDFRXZIGURMMSP-INIZCTEOSA-N 447.373 3.944 0 40 IHAB COc1ccc2c(c1)CCC[C@H]2NC(=O)c1ccc(C)c(N2CCCCS2(=O)=O)c1 224400288 BJZFWOPYRHQSIN-OAQYLSRUSA-N 428.554 3.741 0 40 IHAB CCOC(=O)CN(c1cccc(C(=O)OCC)c1)S(=O)(=O)c1ccc2ccccc2c1 225065602 HDJYDLSCFMGEAQ-UHFFFAOYSA-N 441.505 3.775 0 40 IHAB O=C(NCCSC1CCCC1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 225256391 GZQSFTXHVPYSDJ-UHFFFAOYSA-N 445.050 3.674 0 40 IHAB CSc1ccc(S(=O)(=O)N(C)CC(=O)NCCCc2ccc(C(C)C)cc2)cc1 225571248 XWKPKHWDFHAWNP-UHFFFAOYSA-N 434.627 3.901 0 40 IHAB CCC1(CC)C[C@H](NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)c2ccccc2O1 225781101 SLRKTBXVPYOIAI-IBGZPJMESA-N 434.533 3.791 0 40 IHAB NC(=O)c1sc2ccccc2c1[C@H]1CC[C@H](CNC(=O)CN2CCCCCC2=O)CC1 257260200 LBTHBYOPZZJFQS-QAQDUYKDSA-N 441.597 3.793 0 40 IHAB COc1ccc(Cc2cnc([C@@H]3CCCN(C(=O)CN(C)Cc4ccccn4)C3)o2)cc1 257260202 LBTMTUZEMTUEEY-HXUWFJFHSA-N 434.540 3.507 0 40 IHAB O=C(c1cccc(Cn2ccnc2)c1)N1CCC[C@]2(C[C@@H](Oc3cccc(F)c3)CO2)C1 257279085 OEYUEKBGNYZJTE-NOZRDPDXSA-N 435.499 3.913 0 40 IHAB Cc1cc(-c2cnn(C)c2)cc([C@H]2CN(CC(=O)N(C(C)C)C3CCCCC3)CCO2)n1 257280729 OMCLCTDEGPYRIE-XMMPIXPASA-N 439.604 3.734 0 40 IHAB Nc1ccc(-c2cccc([C@@H]3CN(C(=O)CCc4c[nH]c5ccccc45)CCO3)n2)cn1 257282365 OTLXAJWZWOHCTP-QHCPKHFHSA-N 427.508 3.740 0 40 IHAB COc1ccc2oc(C(=O)N3CCNC(=O)[C@H]3Cc3cccc(-c4cccnc4)c3)cc2c1 257311395 UJGNUYAQVROOCB-JOCHJYFZSA-N 441.487 3.687 0 40 IHAB C[C@H]1CCCCN1c1cc(N2CCC[C@@H](C)C2)nc(NC(=S)NC[C@H]2CCCO2)n1 260712784 KDTJUBCYDWUYBH-FGTMMUONSA-N 432.638 3.557 0 40 IHAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCC3CCCCC3)Oc3cc(C)ccc32)cc1 260853104 UVYPNCBTHZPORV-HSZRJFAPSA-N 442.581 3.956 0 40 IHAB CC[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)c1ccc(OC)c(C)c1 260912884 YYAJIKNMQPHNLR-FPOVZHCZSA-N 430.570 3.672 0 40 IHAB Cc1ccsc1CN1C[C@H](c2cccnc2)[C@@]2(C1)OCCN(Cc1ccsc1)C2=O 306128623 HGHWWYJQVDDHLF-NFBKMPQASA-N 439.606 3.910 0 40 IHAB O=C(O)CN1C(=O)N/C(=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C1=O 408590638 HIEYSLHHVHKPHT-CAOOACKPSA-N 444.274 3.974 0 40 IHAB CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 408605799 NMSSNVODBSHCQN-KRWDZBQOSA-N 440.521 3.580 0 40 IHAB Cc1cc(OC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)ccc1N1C(=O)CCCC1=O 408674534 ZZTJKQWEADIXEV-HNNXBMFYSA-N 440.883 3.650 0 40 IHAB CS(=O)(=O)N(CCCC(=O)Nc1cccc(Cl)c1Cl)c1ccc2c(c1)OCO2 408704690 RLXUKNKHUQVPOG-UHFFFAOYSA-N 445.324 3.907 0 40 IHAB CC(C)(C)C1CCC(NC(=O)C(=O)Nc2ccccc2C(=O)NCc2ccco2)CC1 408708233 HSSDHJYWUKHRIY-UHFFFAOYSA-N 425.529 3.869 0 40 IHAB Cc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(Cl)cc3)[C@H]2c2ccc(C)cc2)cc1 409055819 FFUKPRHISPWVGE-WAUWHALJSA-O 432.931 3.973 0 40 IHAB Cc1ccc(NC(=O)CSc2nnc([C@H](C)NC(=O)c3ccccc3)n2C)cc1Cl 409129015 QIJWLXDJUGPUJL-AWEZNQCLSA-N 443.960 3.999 0 40 IHAB COC(=O)C[C@H](c1ccc(OC)cc1)c1oc(CN2CCc3ccccc3C2)cc(=O)c1O 524731135 LHGHICDKENAIJY-JOCHJYFZSA-N 449.503 3.607 0 40 IHAB biogenic CC(C)(O)COc1ccc(CN2C[C@H](O)[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1 585269164 RRRZYGAVUQFEFL-PMACEKPBSA-N 426.340 3.767 0 40 IHAB CC(C)c1cc(C(=O)N2CCC[C@@]3(CCCCc4ccccc4OCCNC3=O)C2)on1 643559807 BQSDTNYRFHHOSN-VWLOTQADSA-N 439.556 3.942 0 40 IHAB O=C(Nc1ccc(F)cc1)c1ccc(CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)cc1 683319310 OBWHWECQVYGCLR-VWLOTQADSA-N 429.451 3.972 0 40 IHAB CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@@H](CCCC[C@@H]13)N2c1ncnc2[nH]cnc12 2037843425 CLYFMTNWHMAFDO-QNFRPBLGSA-N 430.556 3.723 0 40 IHAB O=S(=O)(c1ccc2ncsc2c1)N1CCC[C@@]2(CCCN(Cc3ccccn3)C2)C1 2056223382 IRTJTYIIXYVBRO-JOCHJYFZSA-N 442.610 3.758 0 40 IHAB CCOC(=O)c1c(N[C@@H](NC(=O)CF)C(Cl)(Cl)Cl)sc2c1CCCC2 675994 GESPVUMLQRJYPK-CQSZACIVSA-N 431.744 3.998 0 40 IHAB CCCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)c1ncncc1C(=O)O 1533713 AHZXSVWCNDLJER-UHFFFAOYSA-N 429.484 3.829 0 40 IHAB CCN(CC)c1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 1665888 VBJDWXFOMWSFLB-LJQANCHMSA-N 440.540 3.709 0 40 IHAB biogenic COCCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@@H]1c1ccc(Cl)cc1Cl 2257804 PTMJCYVJVQEGHS-ZUZCIYMTSA-N 429.325 3.832 0 40 IHAB O=C(COCC(=O)Nc1nc2c(F)cccc2s1)Nc1nc2c(F)cccc2s1 2714035 SMLHJZXZAKAYLO-UHFFFAOYSA-N 434.449 3.778 0 40 IHAB C[C@H](NC(=O)CCc1nc2ccccc2n(CCc2ccccc2)c1=O)c1ccccn1 8727162 LHZXBQJHERRJQA-IBGZPJMESA-N 426.520 3.844 0 40 IHAB Cc1ccc(CN2CCC(C(=O)Nc3ccccc3C(=O)NC[C@@H]3CCCO3)CC2)cc1 9063175 NXRGMJIBYHGYQC-QFIPXVFZSA-N 435.568 3.755 0 40 IHAB COc1cn(-c2ccccc2)nc1C(=O)NCCCc1nnc(SC)n1C1CCCC1 9076897 LIXQKWWMAYRMEN-UHFFFAOYSA-N 440.573 3.672 0 40 IHAB Cc1ccc(-c2nc(COC(=O)CN3C(=O)N[C@]4(CCCC[C@H]4C)C3=O)cs2)cc1 9126338 JJJPISZYBBTBQK-QRQCRPRQSA-N 427.526 3.662 0 40 IHAB Cc1cc(C(=O)CSc2nnc(-c3cccs3)o2)c(C)n1[C@@H]1CCS(=O)(=O)C1 9245374 FZXKUJFAGXIOHM-CYBMUJFWSA-N 437.568 3.551 0 40 IHAB COc1ccc(-c2coc3cc(OCC(=O)Nc4ccncc4)ccc3c2=O)cc1OC 9422638 KQFPHDOBYHRRDN-UHFFFAOYSA-N 432.432 3.890 0 40 IHAB biogenic O=S(=O)(Nc1ccc2c(c1)OCO2)c1cc(Br)ccc1Br 9440025 WKWYGNHNTKVVKS-UHFFFAOYSA-N 435.093 3.741 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCCOc1ccc(C)cc1 9463557 UOAVASVFGSSYCN-UHFFFAOYSA-N 446.569 3.976 0 40 IHAB CCn1c(S[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)nnc1-c1ccccc1 9485077 BOLDGDUTYJAISP-KRWDZBQOSA-N 437.569 3.921 0 40 IHAB O=C(NCCc1ccc(Cl)cc1)[C@H]1CCCN(c2nc3ccsc3c(=O)s2)C1 9938786 HLWDTIHNSDLAQI-AWEZNQCLSA-N 433.986 3.947 0 40 IHAB CCN(CC)CCN1C(=O)c2oc3cc(OC)ccc3c(=O)c2[C@@H]1c1ccc(OC)cc1 10233213 YRJJNARATNYEGQ-QFIPXVFZSA-N 436.508 3.697 0 40 IHAB COC(=O)c1cccc(NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)c1 10296090 VAFOIIPXUSUQHE-UHFFFAOYSA-N 438.505 3.692 0 40 IHAB CN1CCN(c2ccc(C(F)(F)F)cc2NS(=O)(=O)c2ccc(Cl)cc2)CC1 11859535 ZZWYZLNJNDRWLP-UHFFFAOYSA-N 433.883 3.911 0 40 IHAB O=C(Cn1c(-c2ccccc2)cc2ccccc21)NCc1ccc(N2CCOCC2)nc1 12224510 KVSZFRGBVNQNOT-UHFFFAOYSA-N 426.520 3.856 0 40 IHAB Cc1ccc(-c2noc(CN3CCN(C(=O)[C@@H](C)Oc4ccc(Cl)cc4)CC3)n2)cc1 12760941 RTLXXOQFCNSEFX-QGZVFWFLSA-N 440.931 3.810 0 40 IHAB CC(C)CN(Cn1nc(Nc2ccc(F)cc2)sc1=S)[C@H]1CCS(=O)(=O)C1 12772229 RBLFGPOGBAICCN-HNNXBMFYSA-N 430.596 3.659 0 40 IHAB Cc1cccc(-n2ncc(C(=O)Nc3cccc(S(=O)(=O)N4CCCCC4)c3)c2C)c1 12877173 ZHZQFOHLVTYPPO-UHFFFAOYSA-N 438.553 3.916 0 40 IHAB COc1ccc(/C=C/C(=O)NCCN2C(=O)S/C(=C\c3ccccc3)C2=O)cc1OC 13149512 MYNKVMWAKBPEJY-DVGBGDLNSA-N 438.505 3.570 0 40 IHAB Cc1ccc2c(c1)C(=O)C[C@H]([C@H]1CCCN(C(=O)c3cc(-c4cnn(C)c4C)on3)C1)O2 13227500 DZHNAVJTGGCEGS-KSFYIVLOSA-N 434.496 3.578 0 40 IHAB COc1ccc(Oc2c(C)oc3cc(OCC(=O)NC[C@@H]4CCCO4)ccc3c2=O)cc1 13550649 YXMJNLVBOXLTFW-IBGZPJMESA-N 439.464 3.576 0 40 IHAB O=C(O)CCC(=O)Nc1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)cc1 13578983 NVZVVQHNFMMWPI-UHFFFAOYSA-N 439.251 3.592 0 40 IHAB O=C(Cn1c(=O)n2nc(-c3ccncc3)nc2c2c3c(sc21)CCC3)c1ccccc1 13688270 FMHBNJPOIZCSSS-UHFFFAOYSA-N 427.489 3.539 0 40 IHAB COc1ccc(Br)cc1CN(C)CC(=O)NCCc1ccc(Cl)cc1 14069986 MAWXVCLCGNYBTB-UHFFFAOYSA-N 425.754 3.902 0 40 IHAB C[C@H](NCC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2ccccc2)cc1 14183661 PXIKLHWGRJHBGD-YADARESESA-N 440.609 3.963 0 40 IHAB Cc1ccc(CN(C)C(=O)c2cccnc2SCC(=O)Nc2ccc3c(c2)OCO3)o1 14200817 PVZBBDBKYZHCQF-UHFFFAOYSA-N 439.493 3.715 0 40 IHAB COC(=O)c1sc(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)nc1C 14269466 VITABJXHLURYDL-UHFFFAOYSA-N 441.534 3.944 0 40 IHAB COc1cc(Br)c(C=O)cc1OCC(=O)NCCc1cccc(Cl)c1 14280724 GTFMKOYUOFSHRW-UHFFFAOYSA-N 426.694 3.661 0 40 IHAB CCOc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1OCC 14724869 LLTHLXGWAJENHZ-UHFFFAOYSA-N 432.542 3.911 0 40 IHAB COc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3cc4ccccc4o3)C2=O)cc1Cl 15397395 HVRMCOVDVLNXEI-OAQYLSRUSA-N 427.844 3.501 0 40 IHAB CCc1cccc(NC(=O)CCc2nc3cc(S(=O)(=O)N(CC)CC)ccc3n2C)c1 15657609 XUHMDCSKDVKRGD-UHFFFAOYSA-N 442.585 3.738 0 40 IHAB COc1ccc(Cl)cc1C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 15898255 CONPBNJUJPOHFL-UHFFFAOYSA-N 438.933 3.784 0 40 IHAB CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)c3cc(Br)ccc3F)ccc21 16118477 PUFAWVUYYBAOLS-LLVKDONJSA-N 434.261 3.925 0 40 IHAB Cc1nc(-c2cccc(NC(=O)CSc3n[nH]c(=O)n3Cc3ccccc3)c2)cs1 16684915 GLEGBFPCOAOJIE-UHFFFAOYSA-N 437.550 3.782 0 40 IHAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccco2)c1 16944926 FVNHCXLTXLJCJH-UHFFFAOYSA-N 442.493 3.691 0 40 IHAB CN(C(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1)C1CCCCC1 17357050 NCLXDDFTHUBCMR-UHFFFAOYSA-N 430.526 3.663 0 40 IHAB CC1CCN(C(=O)CN2CCC[C@H](c3nc(N(C)C)ncc3-c3cccc(F)c3)C2)CC1 19694660 HBBDZKAHBPQJIA-FQEVSTJZSA-N 439.579 3.787 0 40 IHAB CNc1cc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(CN(C)Cc2cccc(F)c2)n1 19700915 JJZJNOJIIZTEAD-QGZVFWFLSA-N 437.494 3.949 0 40 IHAB Cc1nc([C@@H]2CCCCN2C(=O)Cn2cccn2)nc2c1CCCN2Cc1cccc(F)c1 19706278 KYBNXWHUFONZNF-QFIPXVFZSA-N 448.546 3.827 0 40 IHAB CCCCNS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2ccc(SC)cc2)cc1 20020847 BRRGLFLTRNGCCM-MRXNPFEDSA-N 436.599 3.743 0 40 IHAB COc1ccc(NC(=S)NC(=O)COc2ccccc2C)cc1-c1ccc(CO)o1 20153632 BZQSRLBROCJYSZ-UHFFFAOYSA-N 426.494 3.648 0 40 IHAB C[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)N1CCN(Cc2ccccc2)CC1 21242891 YWHPOUZNVXRQIV-LJQANCHMSA-N 447.608 3.970 0 40 IHAB C[C@@H]1CCCN(Cc2ccc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2)C1 22530787 KSIJGBHKHHVRBM-HXUWFJFHSA-N 435.568 3.605 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N[C@@H](C)c2ccc(F)cc2)cc1Cl 22539234 NGQOGPCPRSSDQO-AWEZNQCLSA-N 442.940 3.766 0 40 IHAB O=C(CCN1C(=O)NC2(CCCCC2)C1=O)N(Cc1cccs1)Cc1cccs1 24467437 JNHOMYUITUTEPZ-UHFFFAOYSA-N 431.583 3.983 0 40 IHAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)c12 25450413 SLRMSEKHLBKUKF-UHFFFAOYSA-N 443.554 3.666 0 40 IHAB COc1ccc([C@H](CNC(=O)COc2ccccc2-c2ccccc2)N2CCOCC2)cc1 25777427 OAHZHDRFSQMGHK-VWLOTQADSA-N 446.547 3.931 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1ccccc1Br 30848889 ZYERMXCARWILAC-UHFFFAOYSA-N 432.299 3.897 0 40 IHAB O=C(CSc1nnc(-c2ccncc2)o1)NC1(c2ccc3c(c2)OCCO3)CCCC1 32848698 VDHOZYDVIMXWHP-UHFFFAOYSA-N 438.509 3.581 0 40 IHAB CCn1c(=O)c2ccccc2n2c(CSc3n[nH]c(/C=C/c4ccccc4)n3)nnc12 32893514 QFHMUNGNTUSEIH-OUKQBFOZSA-N 429.509 3.645 0 40 IHAB CC[C@@H](C)NC(=O)CCn1c(=O)c2ccccc2n2c(SCc3ccccc3)nnc12 33292045 YONVBBMKVQUUKC-MRXNPFEDSA-N 435.553 3.641 0 40 IHAB O=S(=O)(CCCc1ccccc1)NC[C@@H](c1ccccc1)S(=O)(=O)c1cccs1 33326471 SJAFLSQKFZIETP-FQEVSTJZSA-N 449.619 3.815 0 40 IHAB CC(C)CNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1 33634035 DTXUWLMTORAQIR-UHFFFAOYSA-N 431.341 3.945 0 40 IHAB Cc1nc(NCCNC(=O)c2sc(-c3ccccc3)nc2C)cc(-n2ccnc2C)n1 35598158 QBSUJCLTKLJDLS-UHFFFAOYSA-N 433.541 3.553 0 40 IHAB CSc1cccc(N2C[C@H](C(=O)Nc3nc4ccc(NC(C)=O)cc4s3)CC2=O)c1 40040473 CXHDXJZDPNZOJZ-CYBMUJFWSA-N 440.550 3.968 0 40 IHAB O=C1C[C@H](C(=O)Nc2cccc(Cl)c2Cl)c2c(nc(Nc3ccccc3)[nH]c2=O)N1 40399213 NDVXODZMIWGPLQ-NSHDSACASA-N 444.278 3.885 0 40 IHAB CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccc(C(=O)O)cc2)n2ncnc2N1 40484476 PEVKRTOEXAEGJI-QGZVFWFLSA-N 443.385 3.923 0 40 IHAB O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)NCc1ccccc1-n1ccnc1 44841409 UJMRBYNFHDBMDF-UHFFFAOYSA-N 446.532 3.631 0 40 IHAB COc1ccc(OC)c(CN(c2cnn(C)c2)S(=O)(=O)c2ccc(Cl)cc2F)c1 48313065 RJURPYSLQYCLPW-UHFFFAOYSA-N 439.896 3.625 0 40 IHAB Cc1nc2c(c(=O)n1CC(=O)Nc1cc(F)ccc1Cl)CN(Cc1ccccc1)CC2 49400842 PJEZMLMBKLLMLS-UHFFFAOYSA-N 440.906 3.541 0 40 IHAB Cc1cc(C(=O)CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)c(C)n1Cc1ccco1 53517417 IEKIWHYIYOLAOL-UHFFFAOYSA-N 432.524 3.909 0 40 IHAB CCN(C(=O)[C@@H](C)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)[C@@H]1CCS(=O)(=O)C1 57739581 CMUZUWNRSRAHOS-NYTDYGLBSA-N 444.641 3.990 0 40 IHAB COc1ccc(C)cc1NC(=O)Cn1cc(-c2ccc(Cl)cc2)c(N2CCOCC2)n1 62006950 VFMVGZXPPMOJNY-UHFFFAOYSA-N 440.931 3.996 0 40 IHAB COc1ccc(/C=C/C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)cc1OC 79016028 PHXWKGXDOCDJSQ-VQHVLOKHSA-N 445.522 3.613 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)C2CCCC2)cc1)[C@H](c1ccccc1F)N1CCOCC1 89813173 YCUDBASFMNYUET-QFIPXVFZSA-N 446.544 3.554 0 40 IHAB O=C(COC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)c1cccc(Cl)c1 89836556 YDTIJJTVGMXXIL-UHFFFAOYSA-N 443.908 3.858 0 40 IHAB CCOc1ncccc1C(=O)Oc1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 89988816 DTZIQCKCCAXEHL-UHFFFAOYSA-N 426.494 3.833 0 40 IHAB CCOC(=O)Nc1ccc2c(COC(=O)[C@@](C)(O)[C@@H](C)c3ccccc3)cc(=O)oc2c1 95407054 PXYJHCBYBUCPGB-OWJWWREXSA-N 439.464 3.959 0 40 IHAB O=C(CCc1cscn1)OCCc1ccccc1COC(=O)CCc1cscn1 95456170 NTQOROJLWZLOMI-UHFFFAOYSA-N 430.551 3.994 0 40 IHAB CN(C)C(=O)n1c(C(=O)NCCc2ccccn2)cc2c1c1ccccc1n2CC1CC1 96146520 RAMVPZRLQUCNSS-UHFFFAOYSA-N 429.524 3.903 0 40 IHAB CC(C)OC(=O)c1c(NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)sc2c1CCCC2 102351602 AQGQSLJJONOEMO-GJZGRUSLSA-N 446.569 3.696 0 40 IHAB N=C1S/C(=C\c2ccc(OCC(=O)O)c(Br)c2)C(=O)[C@H]1c1nccs1 136682298 RAVCCFOGQXKTRC-OKQAUTAXSA-N 439.312 3.787 0 40 IHAB C[C@H](c1ccccc1)N1C[C@@H](C(=O)OCC(=O)Nc2cccc(C(F)(F)F)c2)CC1=O 139010842 LTXOXKLJQDEEFS-ZBFHGGJFSA-N 434.414 3.797 0 40 IHAB CC(C)Oc1ccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 219756306 GLZWUCIQSBEMQZ-FQEVSTJZSA-N 436.961 3.597 0 40 IHAB CC[C@H](NC(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O)c1ccc(OC)c(C)c1 223254036 OUMHNVVUZRWKMU-NRFANRHFSA-N 448.585 3.826 0 40 IHAB COc1ccc(CCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NCC(C)C)cc1OC 224104007 XSEWOPRWTBXJTI-LJQANCHMSA-N 426.557 3.826 0 40 IHAB Cc1cc(C(=O)NCCN(C)c2ccccc2)ccc1N(C)S(=O)(=O)c1ccccc1 224200980 FMVKNNRNUFDGJY-UHFFFAOYSA-N 437.565 3.686 0 40 IHAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-n3cnnc3)c2C)c1 224228017 GHDDGPYJRLYATD-FGZHOGPDSA-N 429.553 3.888 0 40 IHAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CCc1ccc2c(c1)OCCO2 224306775 PGZMVDLUIIMMFO-HXUWFJFHSA-N 444.959 3.987 0 40 IHAB CSc1ccccc1NS(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1 224569233 JZHBGCAAKGSDLC-UHFFFAOYSA-N 440.959 3.967 0 40 IHAB Cc1ccc(N2C[C@@H](C(=O)N3CCC(Oc4nc5ccccc5o4)CC3)CC2=O)cc1C 225680348 YTSUYZIZYFWJJK-SFHVURJKSA-N 433.508 3.868 0 40 IHAB CCCn1c(=O)sc2cc(S(=O)(=O)Nc3cc(OC)c(Cl)cc3OC)ccc21 225730675 DAVOFNFBQOBPHA-UHFFFAOYSA-N 442.946 3.944 0 40 IHAB COc1cc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(=O)CCO)ccc1OC(F)F 257227938 FRPRDHJDLPLOPM-SBROKSHESA-N 439.499 3.678 0 40 IHAB COCc1ccc(OC)c(CN2CCO[C@H](c3cccc(Nc4nnc(C)s4)n3)C2)c1 257229802 FZNZJDXIFAQWRC-FQEVSTJZSA-N 441.557 3.714 0 40 IHAB COc1cccc(C(=O)N2CCC(C)(c3cc(N)nc(C)n3)CC2)c1OCc1ccccn1 257239062 HNUBCYHGMWPCGP-UHFFFAOYSA-N 447.539 3.544 0 40 IHAB Cc1cc(Nc2nnc(C)s2)cc([C@H]2CN(C(=O)c3c(C(C)C)noc3C)CCO2)n1 257295407 QYEMSIOOLIOKEY-QGZVFWFLSA-N 442.545 3.927 0 40 IHAB Cc1cc(Cc2ccccc2F)cc([C@@H]2CN(C(=O)CCc3c(C)n[nH]c3C)CCO2)n1 257300484 RUMRZZITZNCHKK-DEOSSOPVSA-N 436.531 3.993 0 40 IHAB CC[C@@H](O)Cn1nc(-c2cc(CC(=O)O)ccc2OC)cc1-c1cccc(OC)c1OC 257320558 VXIPQRRURSFSBP-MRXNPFEDSA-N 440.496 3.641 0 40 IHAB CC(C)[C@@H]1C[C@@]2(CO[C@H]1c1ccc(F)cc1)CN(C(=O)CCc1ccnn1C)CCO2 257335645 YLDXYBRALRELIZ-XWGVYQGASA-N 429.536 3.523 0 40 IHAB Cc1nc([C@H]2CCN(C(=O)c3ccccc3)C2)nc2c1CC(=O)N2CCc1ccccc1F 257342418 ZONFLEIIHQZRSB-FQEVSTJZSA-N 444.510 3.686 0 40 IHAB COc1ccc(N(CCCC(=O)N[C@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)cc1 260926437 IWGKGVADCBZLKB-QGZVFWFLSA-N 430.570 3.608 0 40 IHAB CC(C)c1ccc(CN2CCOC[C@@]3(CC[C@H](CNC(=O)C4CC(F)(F)C4)O3)C2)cc1 306143272 XXPPYPDFKLTGOS-FYYLOGMGSA-N 436.543 3.722 0 40 IHAB CCCC[C@@H](CC)CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccccc1OC 408709726 GMZXLNFRBCBUHM-GOSISDBHSA-N 439.556 3.896 0 40 IHAB CCOc1c(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cccc1OC 409155441 RCDQYQVHKCSDGU-GZTJUZNOSA-N 430.457 3.908 0 40 IHAB CCOC(=O)[C@@H]1CN(C(=O)OCc2ccccc2)CC12CCN(C(=O)OC(C)(C)C)CC2 575444720 CNUWRBHXJWNHMW-IBGZPJMESA-N 446.544 3.835 0 40 IHAB O=C(OCc1ccccc1)[C@H]1CN(Cc2cccnc2)C[C@@H]1C(=O)OCc1ccccc1 575444894 ZWFLOOQFVICMGV-ZEQRLZLVSA-N 430.504 3.616 0 40 IHAB COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccc3c(c2)OCCO3)c1 1124124754 KTOQMBJVVRFFLN-SFHVURJKSA-N 428.485 3.541 0 40 IHAB COC(=O)c1cc(C)nc2nc(SCc3ccn(CCc4ccccc4)n3)nc(O)c12 1643660681 QQDAAQPOBWYJNY-UHFFFAOYSA-N 435.509 3.557 0 40 IHAB CC(=O)N[C@H]1CC[C@](CNC(=O)CCc2ccc(Cl)cc2)(c2ccccc2)CC[C@@H]1O 1848357519 OEGNBFRJHXMCCH-LSQMVHIFSA-N 442.987 3.766 0 40 IHAB CCOC(=O)CSc1nnc(CSc2nc(C)cc(C)n2)n1-c1ccc(C)cc1 908300 LERSJNXRGYDKON-UHFFFAOYSA-N 429.571 3.930 0 40 IHAB Cc1ccc2cc(CN(Cc3nnnn3Cc3ccccc3)C3CCCC3)c(=O)[nH]c2c1 926194 OMCNWLRIXAQHGJ-UHFFFAOYSA-N 428.540 3.816 0 40 IHAB Cn1c(SCC(=O)Nc2ccc(OC(F)(F)Cl)cc2)nnc1-c1cccnc1 1080869 LPMQJMGXHRHCRZ-UHFFFAOYSA-N 425.848 3.776 0 40 IHAB CCNC(=S)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc(OCC)ccc2[nH]c1=O 1224586 HKLWIYUQKNBJSW-UHFFFAOYSA-N 439.537 3.552 0 40 IHAB COc1ccc([C@@H]2CC(=O)c3cnc(N[C@@H]4OC(=O)c5ccccc54)nc3C2)cc1OC 1407270 CHNZLKGVDWVTME-RCDICMHDSA-N 431.448 3.688 0 40 IHAB CCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2ccc(OC)cc2OC)C1=O 2098497 ORDXMSHQXHTAPL-OFVILXPXSA-N 447.535 3.670 0 40 IHAB biogenic C[C@H](Cc1ccccc1)NC(=O)CSc1nc2sc3c(c2c(=O)n1C)CCCC3 2348822 RARGSHZRRUCCOQ-CQSZACIVSA-N 427.595 3.713 0 40 IHAB O=C(/C=C/c1ccc(S(=O)(=O)N2CCCCCC2)cc1)OCC(=O)c1ccccc1 2616940 KNJAXMCSCFLLSX-NTCAYCPXSA-N 427.522 3.691 0 40 IHAB CCOC(=O)c1sc(NC(=O)CSC(=S)N(CC)CC)c(C(=O)OCC)c1C 4424418 QDWGTHLNAVPTOO-UHFFFAOYSA-N 446.616 3.708 0 40 IHAB Cc1cc(C)c2[nH]c(=O)c(CN(CCN(C)C)C(=S)NCCc3ccccc3)cc2c1 6300344 TXEBCRADBKQLQE-UHFFFAOYSA-N 436.625 3.626 0 40 IHAB Cc1ccc(CSCCNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 8587371 YRKOSDNJVNUITM-UHFFFAOYSA-N 446.638 3.586 0 40 IHAB COCCOc1ccc(Br)cc1C(=O)Nc1sc(C)c(C)c1C(N)=O 8722911 MYXDPMAVSRDQSO-UHFFFAOYSA-N 427.320 3.504 0 40 IHAB Cc1cc(Cl)ccc1OCC(=O)N(Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 8767884 OMWDFFICVXJSEL-SFHVURJKSA-N 442.364 3.897 0 40 IHAB Cc1ccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(Cc3ccc(Cl)cc3)c(=O)n2C)cc1 9087856 RUUHOOXMFRAAPS-MRXNPFEDSA-N 449.942 3.695 0 40 IHAB O=C(Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2)c1cnc2ccccc2n1 9253606 JETHHTDIMHKEJI-UHFFFAOYSA-N 426.432 3.541 0 40 IHAB COc1ccc(S(=O)(=O)N(C)c2ccc(N3CCCC3)cc2)cc1Br 10113763 DVGLIGZZOSVPLF-UHFFFAOYSA-N 425.348 3.883 0 40 IHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)O[C@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1 10211873 RJNWWWQAQDQHDD-CVEARBPZSA-N 432.904 3.514 0 40 IHAB C[C@@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)c1ccc2c(c1)C(=O)N(C)C2=O)OCCO3 10257507 PPTZCAWPBZVQAK-OAHLLOKOSA-N 446.503 3.712 0 40 IHAB CCn1c(COC(=O)c2ccc(C)s2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 10647546 LLHLEYPUYXJIQA-UHFFFAOYSA-N 447.582 3.958 0 40 IHAB Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H](CC(C)C)N1C(=O)c2ccccc2C1=O 10860536 RGJLEYKIGVRZTO-LJQANCHMSA-N 442.899 3.841 0 40 IHAB CC(C)(C)c1cc(C(F)(F)F)n2nc([C@H]3CCCCN3C(=O)Cn3cccn3)cc2n1 12230086 CFOJEFSTZLAFDK-OAHLLOKOSA-N 434.466 3.996 0 40 IHAB COc1ccc2nc(SCC(=O)NCCc3ccc(OC(F)F)c(OC)c3)[nH]c2c1 12604431 AKBRPUQVXRSHOP-UHFFFAOYSA-N 437.468 3.633 0 40 IHAB Cc1cc(N2CCN([C@H](C)C(=O)Nc3ccc(Br)cc3)CC2)nc(C(C)C)n1 12791101 DBAZFNZWCZDFFW-MRXNPFEDSA-N 446.393 3.820 0 40 IHAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3nc(CN4C[C@@H](C)O[C@H](C)C4)cs3)c12 12791515 ODGUVAXRZGGQPC-ZIAGYGMSSA-N 442.589 3.718 0 40 IHAB COc1ccc(NC(=O)COc2cc(C)cc(C)c2)cc1S(=O)(=O)N1CCCCC1 12847330 SLXOJLCDFAYJJL-UHFFFAOYSA-N 432.542 3.504 0 40 IHAB Cc1cccc(OCCCNC(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c1 12944797 VFPVUJAWTMOUBQ-UHFFFAOYSA-N 444.597 3.598 0 40 IHAB O=C(CN1CC=C(c2c[nH]c3ccccc23)CC1)NC(=O)Nc1ccc2c(c1)OCCCO2 12998642 LKUJCHWDOKKUEU-UHFFFAOYSA-N 446.507 3.767 0 40 IHAB O=C(CSc1ccc(Br)cc1)NC[C@H](c1cccs1)N1CCOCC1 13013927 SBDSNEMKGRXYBB-MRXNPFEDSA-N 441.416 3.792 0 40 IHAB COc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccccc4C)[nH]c(=O)c32)cc1OC 13567374 DLCZRNXQYKOBNW-MRXNPFEDSA-N 437.521 3.862 0 40 IHAB Cc1ccc(NC(=O)CSC(=S)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1Cl 13572134 IBQNBTXVSPVOAW-LSDHHAIUSA-N 448.013 3.886 0 40 IHAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)N3c4ccccc4C[C@H]3C)Oc3ccccc32)cc1 13596439 SQSBMZHSIOLXTL-HOYKHHGWSA-N 448.544 3.929 0 40 IHAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 13842903 HZCONNSZCWIHGS-SFHVURJKSA-N 436.295 3.510 0 40 IHAB O=C(c1ccc2c(=O)n(-c3ccccc3)c(S)nc2c1)N1CCN(c2ccccc2)CC1 14672513 LVSDDMGNEWJFDZ-UHFFFAOYSA-N 442.544 3.637 0 40 IHAB Cc1nc(COc2ccc(C(=O)OCC(=O)N[C@H](C)c3ccc4c(c3)CCCC4)cc2)no1 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O=C(NCCSc1ccc(Cl)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 31594001 ZEACYMUULYVGJF-MRXNPFEDSA-N 439.002 3.649 0 40 IHAB O=C(c1cc(N2CCC(c3nc4ccccc4[nH]3)CC2)nc2ccccc12)N1CCOCC1 32888328 FETBYPGLAAPYHE-UHFFFAOYSA-N 441.535 3.968 0 40 IHAB Cc1ccc(-c2cc(C(=O)N(C)Cc3ccccc3)nn2[C@H]2CCS(=O)(=O)C2)cc1C 33325696 KKHFMXSEWVIINV-NRFANRHFSA-N 437.565 3.799 0 40 IHAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(-c4ccc(C(C)=O)cc4)o3)C2=O)o1 34856628 KALHCNBJJCINCA-WQRHYEAKSA-N 434.404 3.622 0 40 IHAB Cc1ccc(OCC(=O)Nc2cc(-c3ccccc3)nn2[C@@H]2CCS(=O)(=O)C2)cc1C 41024909 WTYMSSBRIWZLEM-LJQANCHMSA-N 439.537 3.544 0 40 IHAB C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)COc3ccccc3)cc2)c2ccccc2O1 41157584 LGMOTKMKVQJZJO-KRWDZBQOSA-N 438.505 3.680 0 40 IHAB O=C(COCCN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1)N1CCCC1 48276866 BBYMIVJYZKVCCP-VWLOTQADSA-N 442.003 3.686 0 40 IHAB CC(C)(C)NC(=O)CN1CCCN(C(=O)Nc2ccccc2N2CCCCCC2)CC1 57900298 NAEIBHJMZZWMEU-UHFFFAOYSA-N 429.609 3.521 0 40 IHAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)N[C@@H](C)c1ccccc1Br 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O=C(N[C@@H]1C[C@@H]2CC[C@@H]1C2)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 100091360 YLJFQXSSDQIJRZ-VVFCZOMOSA-N 445.412 3.840 0 40 IHAB Cc1nc2cc([C@H]3CCCN(C(=O)c4ccc(OC5CSC5)cc4)C3)nn2c(O)c1C 100137685 YATNVCTYVMOLDA-KRWDZBQOSA-N 438.553 3.566 0 40 IHAB COc1ccccc1N1C(=O)[C@@H]2C(C(=O)c3ccccc3)=NN(c3ccc(C)cc3)[C@H]2C1=O 100487406 GMEACKGFWFQHFV-FYYLOGMGSA-N 439.471 3.621 0 40 IHAB COc1cc(N(CC(=O)Nc2cccc3ccccc23)S(C)(=O)=O)c(OC)cc1Cl 220053569 JJJJRNVGPCMZFX-UHFFFAOYSA-N 448.928 3.915 0 40 IHAB COc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 220203122 XFVDXMSXTHMIKZ-UONOGXRCSA-N 444.475 3.746 0 40 IHAB C[C@H]1Cc2ccccc2N1C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 222713443 XZXVHGGCAOHXAY-INIZCTEOSA-N 440.496 3.983 0 40 IHAB COc1ccc(CCCNC(=O)/C(=C/c2ccco2)NC(=O)c2ccc(OC)cc2)cc1 222830644 MEYFFJVHJUQULP-QJOMJCCJSA-N 434.492 3.817 0 40 IHAB CN(C(=O)CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)c1ccc(F)cc1 222863082 NVQHCPHAYYUREO-UHFFFAOYSA-N 440.540 3.942 0 40 IHAB CCOc1ccc(Cl)cc1S(=O)(=O)N(C)Cc1cc(OC)c(OC)c(OC)c1 223002952 PHYHODZKFHUZBG-UHFFFAOYSA-N 429.922 3.585 0 40 IHAB O=S(=O)(NCc1nc(-c2cccc(Cl)c2)no1)c1ccc(Br)s1 223575337 HOZDAGURUVMQFO-UHFFFAOYSA-N 434.724 3.693 0 40 IHAB COc1ccc(OCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NCC(C)C)cc1 224208061 JSVXBXODEGXVGB-KRWDZBQOSA-N 432.948 3.917 0 40 IHAB CCc1ccc(CC)c(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c1 225027908 GKIRRLOJLDKUBC-OAQYLSRUSA-N 434.989 3.934 0 40 IHAB CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccc(C)cc1C 225469386 MOGOWMMASFXNAO-INIZCTEOSA-N 433.346 3.608 0 40 IHAB CCOC(=O)[C@H]1C[C@H]2C(Cl)=C[C@@]13[C@H]1Cc4ccc(OC)c5c4[C@@]3(CCN1C)[C@]2(C)O5 253505133 QFJCSTJNJZNCPB-UAGOWRJXSA-N 429.944 3.666 0 40 IHAB biogenic,in-vitro Cc1ccc(OC(C)(C)C(=O)N2CC[C@H](c3ncncc3-c3ccnc(N)c3)C2)cc1C 257249812 JJWBCBJITSVNIN-IBGZPJMESA-N 431.540 3.911 0 40 IHAB COc1ccc(-c2cncc([C@@H]3CN(C(=O)Cc4c[nH]c5ccccc45)CCO3)n2)cc1 257264455 LULOHVXGSXQGIK-DEOSSOPVSA-N 428.492 3.776 0 40 IHAB O=C(CN1[C@H]2CCCCC(=O)N[C@@H]2C[C@H]1Cc1ccccc1)Nc1ccnn1C1CCCC1 257280337 OKLPLUGFTUZWAT-ZLNRFVROSA-N 449.599 3.681 0 40 IHAB Cc1ccc(NC(=O)c2cccc([C@@H]3CCCN3C(=O)CCCn3nc(C)cc3C)n2)nc1 257307299 SYBOPRABQQGOBX-QFIPXVFZSA-N 446.555 3.995 0 40 IHAB Cc1ncsc1C(=O)N1CCO[C@H](c2cc(CCOc3cccc(Cl)c3)n(C)n2)C1 257330275 XNQXFFCSJXTZMO-IBGZPJMESA-N 446.960 3.674 0 40 IHAB COCCc1ncc(CN2CCO[C@H](c3cc(Cc4ccc(OC)cc4)cc(C)n3)C2)cn1 257339683 ZCTMSVPGOHUVJX-VWLOTQADSA-N 448.567 3.542 0 40 IHAB CCOc1ccc(C(=O)N2CC[C@H](c3ccccc3F)S(=O)(=O)CC2)cc1OCC 390827370 XESQUFMIGLTMJW-OAQYLSRUSA-N 435.517 3.625 0 40 IHAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(Cl)cc3)C2)c(C)c1 408555919 XQPADAYRPMOLHZ-IBGZPJMESA-N 434.989 3.982 0 40 IHAB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1 408653342 PNUSDDJUNVKPLS-VQTJNVASSA-N 436.895 3.921 0 40 IHAB COCCN1C(=O)S/C(=C/c2cc(Br)c(OC(C)C)c(OC)c2)C1=O 409132103 OQVXPAVTMXNTCZ-NTEUORMPSA-N 430.320 3.928 0 40 IHAB CCOc1ccccc1NC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1 409197850 QCAWTYSGKSZILP-UHFFFAOYSA-N 440.521 3.581 0 40 IHAB CC(=O)Nc1ccccc1SCC(=O)Nc1cccc(I)c1 409198918 AJJPMLNBQIFUEZ-UHFFFAOYSA-N 426.279 3.980 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2c(F)cccc2F)c2ccccc2)cc1 409267529 NGAPPDLRRJKFGO-UHFFFAOYSA-N 432.448 3.807 0 40 IHAB CCn1c(COc2ccc(C)cc2OC)nnc1SCC(=O)Nc1ccccc1OC 409351539 VAJKKXITGJDEHL-UHFFFAOYSA-N 442.541 3.933 0 40 IHAB O=C(C[C@@H]1Oc2ccccc2NC1=O)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1 507886751 HXZXJPQHFSHXNW-IBGZPJMESA-N 448.441 3.660 0 40 IHAB O=C(CN[C@@H](CN1CCCC1=O)c1ccccc1)Nc1cc(C2CC2)nn1-c1ccccc1 538117179 BOSIYIWIRUKUJS-QHCPKHFHSA-N 443.551 3.642 0 40 IHAB C[C@H](C(=O)NCC1(c2ccccn2)CCC1)[C@@H](C)C(=O)NCC1(c2ccccn2)CCC1 557679264 YBUBQBBOMQLZJV-BGYRXZFFSA-N 434.584 3.525 0 40 IHAB Cc1sc(NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CC(C)C)nc1-c1ccc(F)cc1 564406717 JZAJHKOLKJZHPT-KRWDZBQOSA-N 429.521 3.693 0 40 IHAB CC(C)(C)[C@H]1CC[C@](O)(CN2CCOC[C@](O)(COc3ccc(F)c(Cl)c3)C2)CC1 585287606 PLFAPROCNKXCAB-IMRHEYAYSA-N 443.987 3.889 0 40 IHAB O=C(COc1ccc(Cl)cc1)N1CCN(C(=O)C2CC(c3cccc(F)c3)C2)CC1 624081799 HMIOTDNOWSPPHS-UHFFFAOYSA-N 430.907 3.723 0 40 IHAB CC[C@H]1NC(=O)N(c2cccc(NC(=O)NC[C@@H](O)c3ccc4ccccc4c3)c2)C1=O 1562873401 YLLIHSXMBIEXIB-NHCUHLMSSA-N 432.480 3.530 0 40 IHAB Cc1cc(-c2cnn(C)c2)cc([C@@H]2CN(C(=O)Cc3c(C)[nH]c4ccc(F)cc34)CCO2)n1 2037769642 FKIBHVYUMQABGZ-DEOSSOPVSA-N 447.514 3.862 0 40 IHAB O=C(NCc1ccccc1)[C@H](c1ccc(O)cc1)N(C(=O)c1cnccn1)c1ccccc1 931190 FQIIGBXVWBRHBA-DEOSSOPVSA-N 438.487 3.887 0 40 IHAB COc1cc(OC)cc(C(=O)N(Cc2ccc(F)cc2)Cc2nc3ccccc3c(=O)[nH]2)c1 1359849 UDVWQERUGDYHML-UHFFFAOYSA-N 447.466 3.922 0 40 IHAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)c1C 8772139 SSCOSFUDNWVLKG-ZDUSSCGKSA-N 446.887 3.627 0 40 IHAB COC(=O)c1ccc2nc(NC(=S)NC(=O)c3cccc(OC(C)C)c3)sc2c1 8904321 AINARCFXALNZCK-UHFFFAOYSA-N 429.523 3.997 0 40 IHAB Cc1cc(O[C@H](C)C(=O)N(Cc2cccc(F)c2)[C@@H]2CCS(=O)(=O)C2)ccc1Cl 8916486 SWVIPWUAHLAHIC-CRAIPNDOSA-N 439.936 3.771 0 40 IHAB CCOc1ccc(N(CC(=O)NC(C)(C)CC)C(=O)CCC(=O)Nc2ccccn2)cc1 8994983 KRRQESONCOCKMP-UHFFFAOYSA-N 440.544 3.537 0 40 IHAB Cc1sc2nc(/C(=C\c3ccc(-n4ccnc4)cc3)C(=O)N3CCCC3)[nH]c(=O)c2c1C 9058220 CMCQEHCMCYXSAB-CPNJWEJPSA-N 445.548 3.950 0 40 IHAB O=C(NC1CCCCC1)[C@H](Cc1ccccc1)NC(=O)N1CCn2c1nc1ccccc12 9129634 ZFDBJPAXFNFVRX-NRFANRHFSA-N 431.540 3.626 0 40 IHAB COc1ccccc1CNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 9236231 LGWADYFENGKVKW-IBGZPJMESA-N 443.503 3.617 0 40 IHAB CCCc1nnc2n1N[C@H](c1ccc(OC)cc1)[C@@H](C(=O)Nc1ccc(F)cc1)S2 9239078 DVTKRFBQHUUONR-MOPGFXCFSA-N 427.505 3.776 0 40 IHAB Cc1ccccc1-n1c(SCc2nnc(-c3ccccc3)o2)nnc1N1CCOCC1 9367806 IYPQEBAZQITPIU-UHFFFAOYSA-N 434.525 3.755 0 40 IHAB CC(=O)c1sc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)nc1C 9665894 KZMZOZABDJOWMY-UHFFFAOYSA-N 441.534 3.658 0 40 IHAB CCOc1ccc2nc(SCC(=O)Nc3cc(S(C)(=O)=O)ccc3Cl)[nH]c2c1 9669523 ZWIMGUDJQZRSDI-UHFFFAOYSA-N 439.946 3.749 0 40 IHAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 9862931 YPNFWEDYDCKPNH-GJZGRUSLSA-N 437.521 3.640 0 40 IHAB C[C@H](OC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ncnc2[nH]cnc12 9909009 GKIBSBHYHPJFJR-ZETCQYMHSA-N 447.295 3.575 0 40 IHAB O=C(Nc1ccc2c(c1)OCCO2)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 9959750 OXLBHJXNCTWERV-UHFFFAOYSA-N 436.917 3.538 0 40 IHAB CCN(CC)C(=O)c1ccc(NC(=O)COC(=O)c2ccccc2Br)cc1 11026528 NWZUGRRQTXOMDT-UHFFFAOYSA-N 433.302 3.727 0 40 IHAB CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2nnc(COc3ccc(F)cc3)o2)cc1 11195066 SHOBQNAFQADQGF-LBPRGKRZSA-N 430.461 3.865 0 40 IHAB CC[C@@H](C)[C@H](NC(=O)COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1)C(=O)O 11866814 DMWOBBWCACNISE-CMJOXMDJSA-N 437.492 3.687 0 40 IHAB biogenic CCOc1ccc(CN(C(=O)c2cc(-c3ccccc3)on2)[C@H]2CCS(=O)(=O)C2)cc1 11917143 XPOREFNGKJAOBG-IBGZPJMESA-N 440.521 3.570 0 40 IHAB CCCn1c(N2CCN(C(=O)CSC(C)C)CC2)nc2sc3c(c2c1=O)CCCC3 12321670 DFMBDYWBRQIAHK-UHFFFAOYSA-N 448.658 3.537 0 40 IHAB COCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1ccc(Cl)nc1 12323066 LKCPQTCBXMMOEG-UHFFFAOYSA-N 447.944 3.885 0 40 IHAB CCN1C[C@@H](CN(C)Cn2nc(Cc3cccs3)n(C)c2=S)Oc2ccccc21 12544077 HNEFJRNQACCBGA-MRXNPFEDSA-N 429.615 3.780 0 40 IHAB COc1ccc(-n2c(=O)c(CCC(=O)Nc3ccnn3C(C)C)nc3ccccc32)cc1 12872921 ORZXARXIKGUZML-UHFFFAOYSA-N 431.496 3.743 0 40 IHAB COc1ccccc1-c1nnc(SCC(=O)N2CCC[C@H](C)C2)n1Cc1ccco1 12888381 RVYSCYWEGXOXER-INIZCTEOSA-N 426.542 3.946 0 40 IHAB COc1ccc([C@H](CNC(=O)COc2ccc(C(N)=O)cc2)c2c[nH]c3ccccc23)cc1 12908402 CWXAACTWWNNWPJ-QFIPXVFZSA-N 443.503 3.603 0 40 IHAB C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)NCCC3=CCCCC3)ccc2Cl)C[C@@H](C)O1 12948682 SPRHWVJCQMBKBB-HZPDHXFCSA-N 440.993 3.758 0 40 IHAB CCOc1cc(C(=O)Nc2ccc(Cl)cc2C)ccc1OCC(=O)N1CCOCC1 13038752 BBGLIMJKESILKO-UHFFFAOYSA-N 432.904 3.537 0 40 IHAB Fc1ccc(N2CCN([C@H](c3ccccc3F)c3nnnn3Cc3ccccc3)CC2)cc1 13504691 JUPGPAVEHHWFIF-XMMPIXPASA-N 446.505 3.911 0 40 IHAB CC(C)CCN(C(=O)CNC(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1cccs1 13506743 WYXSAVYTCHCLLU-OAQYLSRUSA-N 445.585 3.746 0 40 IHAB CCOc1ccccc1CCCNC(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O 13675118 SKCNYSWQILZIEL-MRXNPFEDSA-N 438.977 3.642 0 40 IHAB Cc1cc(OCC(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)ccc1Br 13683670 IJSCAGUMCBIKFG-MRXNPFEDSA-N 447.329 3.684 0 40 IHAB COc1cccc(-n2nc(C)c(CCC(=O)N(C)Cc3ccc4c(c3)OCCO4)c2C)c1 14237806 HLPFKNPSOKBFCX-UHFFFAOYSA-N 435.524 3.860 0 40 IHAB Cc1ccc(OCC(=O)c2cc(C)n([C@@H]3CCS(=O)(=O)C3)c2C)c(Br)c1 14241920 RYHIACYJUGEROW-OAHLLOKOSA-N 440.359 3.797 0 40 IHAB O=C(OCc1nc(-c2ccc(F)cc2)no1)C1(S(=O)(=O)c2ccccc2)CCCC1 14365707 PLGCBVXUMMTZTE-UHFFFAOYSA-N 430.457 3.706 0 40 IHAB CCOc1ccc(CCNC(=O)COC(=O)/C=C/c2cccc3cccnc23)cc1OCC 14811687 DQJMOVWDZWEWRW-ACCUITESSA-N 448.519 3.948 0 40 IHAB CN(CC(=O)Nc1ccc2c(c1)nc1n2CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 14910359 XNRKDSHRWOSOFZ-UHFFFAOYSA-N 446.960 3.675 0 40 IHAB O=C(NCc1ccc(F)cc1)[C@H](c1cccnc1)N(C(=O)c1csnn1)c1ccccc1 15935409 JDJPYHZOZADGOV-NRFANRHFSA-N 447.495 3.777 0 40 IHAB CCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)CC)cc1 17269612 HMVKJPUFTKKRQS-UHFFFAOYSA-N 429.542 3.915 0 40 IHAB Cc1cc2c(cc1Cl)[C@H](O)CC1(CCN(C[C@@H](O)c3ccc4c(c3)CCO4)CC1)O2 19125687 HZEGJYYETSDJEB-NHCUHLMSSA-N 429.944 3.967 0 40 IHAB CCCc1nc2ccccc2c(C(=O)OCCOc2ccc(S(N)(=O)=O)cc2)c1CC 19353566 LOEUVIBXBNQRHN-UHFFFAOYSA-N 442.537 3.633 0 40 IHAB CCN(CC)CC(=O)N1CCC([C@@H]2C[C@H](C(F)F)n3nc(C(C)(C)C)cc3N2)CC1 19526317 WFLKOXFSOOKNMD-DLBZAZTESA-N 425.568 3.751 0 40 IHAB COc1cccc(CC(=O)NCc2ccc(-c3ccnc4nc(C(F)(F)F)nn34)cc2)c1 19564553 PODDSZKEPKZFJK-UHFFFAOYSA-N 441.413 3.678 0 40 IHAB Cc1cc(C)n(CCCC(=O)N2CC[C@](Cc3ccccc3-c3ccccc3)(C(N)=O)C2)n1 19573974 IILUEKNWTRPADW-HHHXNRCGSA-N 444.579 3.894 0 40 IHAB CN1C[C@@H](C(=O)N2CCC(c3ccc(Cc4ccc(C(F)(F)F)cc4)cn3)CC2)CC1=O 19687341 MKTOKPOUHGOCRX-IBGZPJMESA-N 445.485 3.876 0 40 IHAB COc1ccc(-c2cnc(N(C)C)nc2C2CCN(C(=O)C[C@@H]3CCCCO3)CC2)cc1 19695339 QDFFHHFESFHYNT-NRFANRHFSA-N 438.572 3.883 0 40 IHAB COc1ccccc1OCC(=O)N1CCC(Cc2cc(N3CCCCC3)nc(C)n2)CC1 19758381 RBNRHQLPEBKOOU-UHFFFAOYSA-N 438.572 3.644 0 40 IHAB CNc1cc(CN(C)C(=O)C2(c3ccc(C)cc3)CCCC2)nc([C@@H]2CCCN2C(C)=O)n1 19759804 MVLWLCGYBOBSFU-QFIPXVFZSA-N 449.599 3.981 0 40 IHAB COc1cccc2cc(CN(C)Cc3cc(N(C)C)nc([C@@H]4CCCN4C(C)=O)n3)oc12 19760305 RJHZPGXZJFHEDH-FQEVSTJZSA-N 437.544 3.613 0 40 IHAB COc1ccc(CN(C(=O)COC(=O)c2cc(C3CC3)nc3onc(C)c23)C2CC2)cc1 24109019 PUKFABFGYSHKIS-UHFFFAOYSA-N 435.480 3.765 0 40 IHAB CCc1ccc([C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccn(C)c3)CC2)C(C)C)cc1 24778050 KEHGGQXQYWUPKZ-QFIPXVFZSA-N 431.602 3.502 0 40 IHAB CCn1c(CN2CCOCC2)nc2cc(NC(=O)COc3ccccc3Cl)ccc21 26121734 ILWJDQDDWZKTMB-UHFFFAOYSA-N 428.920 3.559 0 40 IHAB O=C([C@@H](Sc1nnc(Cc2cccs2)n1C1CC1)c1ccccc1)N1CCOCC1 26683006 UYYMUZGRMQKJII-FQEVSTJZSA-N 440.594 3.958 0 40 IHAB Cc1ccc(-c2nc(CN3CCN(S(=O)(=O)Cc4ccccc4)CC3)co2)c(C)c1 31602002 QIPUJVGJCGYGEM-UHFFFAOYSA-N 425.554 3.606 0 40 IHAB O=C(Cn1cnc2sccc2c1=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1 31641045 BAYZOFKZOUJTOS-UHFFFAOYSA-N 427.489 3.949 0 40 IHAB COc1ccc(-c2csc(NC(=O)[C@H]3CCCN(C(=O)c4ccoc4)C3)n2)c(OC)c1 32764405 HHESPPYIPBFCLO-AWEZNQCLSA-N 441.509 3.911 0 40 IHAB Cc1ccc(-c2cc(C(=O)N3CCc4ccccc4C3)nn2[C@@H]2CCS(=O)(=O)C2)cc1C 33325713 MZFYFXGIUHUOPF-JOCHJYFZSA-N 449.576 3.725 0 40 IHAB O=C(Nc1nnc(-c2ccccc2)s1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 35268670 RSXJUONULMQUIC-MRXNPFEDSA-N 448.957 3.650 0 40 IHAB O=C(Nc1nnc(C2CC2)s1)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 40119130 WXFOHMQVGUSSEB-AWEZNQCLSA-N 439.463 3.920 0 40 IHAB O=c1c2c(-c3ccccc3Cl)n3ncnc3nc2ccn1-c1nc(C2CCCCC2)n[nH]1 40398113 JYZOTMZZCBJGKB-UHFFFAOYSA-N 446.902 3.915 0 40 IHAB Cc1ccc2c(c1)N(C(=O)CSc1nc3cc(C)[nH]c3c(=O)n1CC(C)C)CCO2 67237779 IGCMUVNJYOQYHL-UHFFFAOYSA-N 426.542 3.515 0 40 IHAB COc1ccc(-c2cnn3c2NC(=O)C[C@H]3C(=O)Nc2cc(Cl)ccc2OC)cc1 72333039 KOHORSRFEGNGIB-KRWDZBQOSA-N 426.860 3.743 0 40 IHAB CCn1ncc(S(=O)(=O)N2CCC[C@H](c3cccc(-c4ccc(OC)cc4)n3)C2)c1C 72350177 FGASKDJPNOFZBZ-IBGZPJMESA-N 440.569 3.850 0 40 IHAB O=C(CN1CCC[C@@H](c2ccccc2)C1)N1CCC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 72373050 FTKXUNYPFAPCJE-PKTZIBPZSA-N 448.611 3.555 0 40 IHAB CCOc1ccc(NC(=O)c2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H]([C@H]6C[C@H]56)[C@H]4C3=O)cc2)cc1 102529843 JNZQZRHVKSSGPE-UKIRVEGOSA-N 428.488 3.895 0 40 IHAB CC(C)Oc1cccc(CCCNC(=O)[C@@H](C)N(c2cccc(F)c2)S(C)(=O)=O)c1 220485236 RVZSLULHDSUBSQ-QGZVFWFLSA-N 436.549 3.516 0 40 IHAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(OC)c(OC)c1 222882477 UCEDTYNMXULTDH-QGZVFWFLSA-N 430.520 3.719 0 40 IHAB Cc1ccc(C)c(OCCNC(=O)c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)c1 224032522 MFYBPNADUOWEGI-UHFFFAOYSA-N 430.570 3.533 0 40 IHAB COc1ccccc1OCCNC(=O)c1ccc(C)c(NS(=O)(=O)c2ccccc2)c1 224083507 AFVQLWIVRSRWIM-UHFFFAOYSA-N 440.521 3.613 0 40 IHAB C[C@H](CNC(=O)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1)c1ccccc1 224219286 FKLNRCRCGAWVMC-HXUWFJFHSA-N 428.598 3.581 0 40 IHAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 224421947 AAAHXKPUSYKEBQ-HSZRJFAPSA-N 436.552 3.796 0 40 IHAB CCn1c(=O)sc2cc(NS(=O)(=O)c3ccc4c(c3)sc(=O)n4C(C)C)ccc21 225128334 PJYNIYCBVLDUSY-UHFFFAOYSA-N 449.579 3.841 0 40 IHAB CCCn1c(=O)sc2cc(S(=O)(=O)N[C@@H](C)COc3ccc(C)c(C)c3)ccc21 225735266 KLNDPEYBTKHSRU-INIZCTEOSA-N 434.583 3.836 0 40 IHAB Cc1cc(C)cc(N([C@@H](C)C(=O)Nc2nnc(SCC(C)C)s2)S(C)(=O)=O)c1 225847420 NHAWCSKLISQFFH-AWEZNQCLSA-N 442.632 3.696 0 40 IHAB CCOC(=O)c1cc(I)c(OCc2cccnc2)c(OCC)c1 226321463 JINGURKUEHHFAF-UHFFFAOYSA-N 427.238 3.841 0 40 IHAB CN(C)CC(C)(C)CNC(=O)C1(Cc2ccc(-c3cccnc3)cc2F)CCOCC1 257228578 FUJYQUPYICGZOX-UHFFFAOYSA-N 427.564 3.931 0 40 IHAB COc1ccc(-c2cccc(C[C@H]3C(=O)NCCN3C(=O)c3cc(C(C)(C)C)n[nH]3)c2)cc1 257300798 RVSPVQGFHXYLQN-QFIPXVFZSA-N 446.551 3.566 0 40 IHAB CCN1CCN(C(=O)c2cc(C(C)C)n[nH]2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O 257303528 SHPBUJJSSDDLDX-NRFANRHFSA-N 445.567 3.758 0 40 IHAB CN1C(=O)CCC[C@]12CN(C(=O)c1cccc(Cn3ccnc3)c1)C[C@H]2c1ccc(F)cc1 257310443 UFCIZOXMWDMKPC-JYFHCDHNSA-N 446.526 3.691 0 40 IHAB C[C@H]1CCCN(CCCNC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(F)cc3)c2)C1 260565699 SKRIPYGUNNPZOZ-SFHVURJKSA-N 447.576 3.503 0 40 IHAB CCc1ccc(N([C@H](C)C(=O)N[C@@H](CC)c2ccc(OC)c(C)c2)S(C)(=O)=O)cc1 260761913 FAWRPBVGZNRFMI-UTKZUKDTSA-N 432.586 3.988 0 40 IHAB CCCn1c(=O)sc2cc(S(=O)(=O)NCCCN3c4ccccc4C[C@H]3C)ccc21 260802908 QDNLLORVRFAVSX-MRXNPFEDSA-N 445.610 3.593 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CN2c3ccccc3-c3ccccc3S2(=O)=O)cc1 408627534 NWOKZZPSIORHBG-UHFFFAOYSA-N 436.489 3.678 0 40 IHAB Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC[C@H](C)C[C@H]4C3=O)c2)cc1 408663823 OXNWBVOLQLISGW-ZLGUVYLKSA-N 434.492 3.716 0 40 IHAB CCOc1ccc(CNC(=O)C(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)cc1 408710233 UCGGAFFLUGQHLT-UHFFFAOYSA-N 445.519 3.579 0 40 IHAB CCN(CC)c1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccccc3)[C@@H]2c2ccccc2)cc1 409052987 FYMAEJZWVNEZKR-RPBOFIJWSA-O 441.555 3.549 0 40 IHAB O=C(CN1CCCC1=O)Nc1cccc(OCc2nn(-c3ccc(F)cc3)c3c2CCC3)c1 536660852 NSACCTUPUPNBSD-UHFFFAOYSA-N 448.498 3.640 0 40 IHAB C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)[C@@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)C1 605689149 KOUQYDYTWOLFNN-BSIFCXSSSA-N 434.515 3.959 0 40 IHAB CC[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)COc2ccc(OC)cc2)cc1 702255 XISOCZAHLQJLEH-SFHVURJKSA-N 432.542 3.666 0 40 IHAB COc1ccc(-n2c3c(cc(C(=O)NCc4ccccc4)c2=O)C(=O)CC(C)(C)C3)cc1 809737 DOCOIYDCAQXQHL-UHFFFAOYSA-N 430.504 3.931 0 40 IHAB COc1ccc2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=S)NC3CCCCC3)cc2c1 880118 ITIFWVVQJIDKBB-HXUWFJFHSA-N 429.586 3.725 0 40 IHAB COc1ccc(NC(=O)CCN2C(=O)S/C(=C\c3ccc(OC)c(OC)c3)C2=O)cc1 1210321 DPPZSRPGWLTBSA-UYRXBGFRSA-N 442.493 3.778 0 40 IHAB NC(=O)c1c(NC(=O)CN(C(=O)c2ccccc2)C2CCCC2)sc2c1CCCC2 1368284 MNDFLRSFFXJHLV-UHFFFAOYSA-N 425.554 3.749 0 40 IHAB CCn1c(COc2ccc(=O)n(-c3ccccc3)n2)nnc1SCc1cccc(OC)c1 1404104 MNULQEHRPTZRPB-UHFFFAOYSA-N 449.536 3.724 0 40 IHAB Cc1ccc(S(=O)(=O)c2c(N)n(C[C@@H]3CCCO3)c3nc4ccccc4nc23)cc1C 2431989 OOXQHJKOKSAWQG-INIZCTEOSA-N 436.537 3.795 0 40 IHAB O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1F)NCCc1ccccc1 2635425 KPFGUVPUPKEJLN-UHFFFAOYSA-N 433.508 3.976 0 40 IHAB O=C(NCc1ccccc1Cl)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12 3015347 SQQRHJSGZGIWNI-UHFFFAOYSA-N 437.927 3.806 0 40 IHAB COc1ccc(CNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)cc1 3245334 SKFDCZJEAFCJBL-UHFFFAOYSA-N 449.507 3.942 0 40 IHAB CC(C)CCNC(=O)NC(=O)COC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 3460375 IRQMBLWVFJLYGJ-UHFFFAOYSA-N 434.496 3.568 0 40 IHAB CC(=O)Nc1cc(CCNC(=O)c2ccccc2)ccc1CCNC(=O)c1ccccc1 3845570 OKLHRJUXMULBDD-UHFFFAOYSA-N 429.520 3.590 0 40 IHAB biogenic CCc1ccc(CN(C(=O)[C@@H](C)Oc2ccc(C)c(C)c2)[C@@H]2CCS(=O)(=O)C2)cc1 5443070 QWKCNUFXNHPOQF-DENIHFKCSA-N 429.582 3.849 0 40 IHAB CC(=O)Nc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2cc(C)ccc2C)cc1 8433439 RXGXWDZBYBBBHM-UHFFFAOYSA-N 425.485 3.553 0 40 IHAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nc3ccccc3c(=O)n2Cc2cccnc2)c1C 9119574 LPPDVEJJFHHGHT-UHFFFAOYSA-N 446.532 3.962 0 40 IHAB COc1cc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCOC(C)C)ccc1O 9293140 OACIGTDLGCEVFJ-HSZRJFAPSA-N 437.496 3.857 0 40 IHAB COCCN(Cc1ccccc1)C(=O)c1cc(S(=O)(=O)N2CCCC[C@@H]2C)ccc1C 9349456 ZTRMKRDDBYNYBS-FQEVSTJZSA-N 444.597 3.847 0 40 IHAB CSCC[C@H](NC(=O)COc1ccccc1)C(=O)NCc1cccc(C(F)(F)F)c1 9612861 BOTQJYAYKSGUQZ-SFHVURJKSA-N 440.487 3.639 0 40 IHAB CCN(Cc1cccs1)C(=O)CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O 9618441 NNMVZZVQAZYSHE-VWLOTQADSA-N 447.560 3.787 0 40 IHAB Cc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)Nc4ccc(F)cc4F)CC3)CC2=O)cc1 9668533 QEVTVEMSZGNDKY-QGZVFWFLSA-N 441.478 3.503 0 40 IHAB COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3OC)n2-n2cccc2)cc1 9737802 KVALEHACXDAEHH-UHFFFAOYSA-N 435.509 3.806 0 40 IHAB O=C(CCc1ccc(-c2ccccc2)o1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 9818164 AAKVGSFPRBDYBE-UHFFFAOYSA-N 438.549 3.553 0 40 IHAB O=C(O)C1CCN(C(=O)CSc2nnc(-c3ccccc3F)n2C2CCCC2)CC1 9882170 KZIBNPYLROUQTF-UHFFFAOYSA-N 432.521 3.615 0 40 IHAB COc1ccc(NC(=O)C(=O)NC[C@H](c2cccc3ccccc23)N(C)C)cc1Cl 10333692 CSNLYFZRNSQPNK-HXUWFJFHSA-N 425.916 3.859 0 40 IHAB CCOC(=O)c1ccc(NC(=O)Cn2c(=O)nc(-c3ccccc3)c3ccccc32)cc1 10433563 TYXCCSKVAYLPSW-UHFFFAOYSA-N 427.460 3.879 0 40 IHAB CCc1cc2c(=O)n(CCCOC)c(S[C@H](C)C(=O)NC3CCCCC3)nc2s1 11773677 ZQWUXBQCSCULQK-CQSZACIVSA-N 437.631 3.986 0 40 IHAB COCCCn1c(SCC(=O)N(C)Cc2ccc(C)o2)nc2cc(Cl)ccc2c1=O 12092067 ZIDSHOOJYLOBFV-UHFFFAOYSA-N 449.960 3.739 0 40 IHAB COc1ccccc1CNC(=O)[C@H](C)NC(=O)c1ccc2noc(-c3ccccc3)c2c1 12389411 LHHAYOIJXPZSMT-INIZCTEOSA-N 429.476 3.938 0 40 IHAB COc1cc([C@H]2CC(=O)c3cnc(N4C[C@@H](C)C[C@@H](C)C4)nc3C2)cc(OC)c1OC 12407533 GVWJAGGCRKUJBW-OWCLPIDISA-N 425.529 3.897 0 40 IHAB Cc1nc(-c2ccccc2)sc1C(=O)N1CCN(c2ccc(-c3ccncc3)nn2)CC1 12443404 IASJHGBOQUBJKU-UHFFFAOYSA-N 442.548 3.933 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc3nc(N4CCCC4)sc3c2)cc1NC(C)=O 12561094 CMQHYCWEMBBHOD-UHFFFAOYSA-N 446.554 3.664 0 40 IHAB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCC(=O)c1ccc(OC(F)F)cc1 12619942 IDDLSBVDAABLMI-IBGZPJMESA-N 435.423 3.965 0 40 IHAB CN(CCOc1ccc(Cl)cc1)CC(=O)N1c2ccccc2NC(=O)C12CCCC2 12692369 AWWUNPNKYGUROG-UHFFFAOYSA-N 427.932 3.949 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccccc3C(F)(F)F)CC2)cc1 12729123 MPRNXKSKZBLOSP-UHFFFAOYSA-N 426.460 3.597 0 40 IHAB C[C@H](NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)c1ccccc1Br 12803831 GKXQCWOBXALJFQ-ZDUSSCGKSA-N 437.359 3.652 0 40 IHAB Cc1cc(C(=O)N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)c2nc3n(c2n1)CCCCC3 12822086 MKSZUMKBBOZFMC-MRXNPFEDSA-N 440.569 3.703 0 40 IHAB O=C(CCn1c(S)nnc1-c1cccs1)N1CCN(Cc2ccc(Cl)cc2)CC1 12973394 FTCIAWJLVSQYOK-UHFFFAOYSA-N 448.017 3.683 0 40 IHAB CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 13057304 PUZQPOXDKXTEBP-UHFFFAOYSA-N 441.475 3.808 0 40 IHAB O=C(CN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)cc1)N1CCc2ccccc21 13165066 UWFQJNXBUYVYCN-UHFFFAOYSA-N 430.913 3.713 0 40 IHAB CCC[C@H](c1nnnn1C(C)(C)C)N(CCCO)Cc1cc2c(C)ccc(C)c2[nH]c1=O 13499675 VVWPDQIOHCJTNA-HXUWFJFHSA-N 440.592 3.612 0 40 IHAB CCC(C)(C)n1nnnc1[C@H](C(C)C)N(CCCO)Cc1cc2cccc(C)c2[nH]c1=O 13500539 OIUXIYVKVCKFGJ-NRFANRHFSA-N 440.592 3.550 0 40 IHAB COCc1nn2c3c(nnc2c1-c1ccccc1OC)C(=O)C[C@@H](c1ccccc1OC)C3 13639395 MCHSKQHTZYUJQF-HNNXBMFYSA-N 444.491 3.868 0 40 IHAB CCOc1ccccc1CCCNC(=O)[C@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O 13675120 SKCNYSWQILZIEL-INIZCTEOSA-N 438.977 3.642 0 40 IHAB CCc1ccccc1NC(=O)Cc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1C 13955936 ZGUIZDWMAWATFO-INIZCTEOSA-N 437.569 3.528 0 40 IHAB COc1cc(C(=O)N[C@H](C)c2cc(F)c(Cl)cc2Cl)cc(OC)c1OCC(N)=O 14015275 QNKRNBNNALOLAP-SECBINFHSA-N 445.274 3.505 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(=O)c2ccccc2o1 15316735 SWZKKJQZTSQFPO-UHFFFAOYSA-N 426.494 3.528 0 40 IHAB C[C@H]1S[C@@]2(C(=O)N(CN3CCCCC3)c3ccccc32)N(c2ccc(F)cc2)C1=O 16608106 NUWAGMDIMPIDLW-MWTRTKDXSA-N 425.529 3.937 0 40 IHAB CCOC(=O)N1CCN([C@@H](c2ccccc2Cl)c2sc3nc(CC)nn3c2O)CC1 16690210 HKZZZLODNIMBIH-INIZCTEOSA-N 449.964 3.576 0 40 IHAB COC(=O)c1ccc(NC(=O)CSc2nccn3nc(-c4ccccc4OC)cc23)cc1 16842082 DFASYKPJMHNLPB-UHFFFAOYSA-N 448.504 3.922 0 40 IHAB CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2ccc(NC(=O)CCC(=O)O)cc2)cc1 17096497 XXTVHOWNCLXSHM-ZDUSSCGKSA-N 429.498 3.568 0 40 IHAB O=C(NCC1CCCCC1)c1cc([C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)no1 19373622 XZZRJHUWXRVLIT-SFHVURJKSA-N 431.558 3.553 0 40 IHAB CC(C)c1cc(C(=O)N2CCO[C@@](Cc3ccc(-c4cccnc4)cc3)(C(N)=O)C2)cs1 19452200 YAECKXJDUMOZDW-RUZDIDTESA-N 449.576 3.873 0 40 IHAB COc1ccc2c(c1)OC1(CCN(C[C@@H](O)c3c(C)n(C)c4ccccc34)CC1)C[C@H]2O 19581802 VGIPPHQKHBQJPV-DHIUTWEWSA-N 436.552 3.879 0 40 IHAB CC[C@@H](C(=O)N1CCC(c2nc(N(C)C)ncc2-c2ccc(F)cc2)CC1)N1CCCC1 19695285 QRFRFIDOIMOUPE-QFIPXVFZSA-N 439.579 3.929 0 40 IHAB Cc1nc([C@@]2(O)CCCN(Cc3ccnn3C)CC2)sc1CCOc1ccccc1 19738715 URKKURHTBZXNSC-HSZRJFAPSA-N 426.586 3.680 0 40 IHAB COc1ccccc1CN1C(=O)Cc2c(C)nc([C@@H]3CCCN3C(=O)c3ccccc3)nc21 19739643 JFRFLRGYBHTTRR-NRFANRHFSA-N 442.519 3.860 0 40 IHAB CN(C)C(=O)c1cc([C@H]2CN(C(=O)c3ccc4ncccc4c3)CCO2)nc2ccccc12 19759587 KOVJNPUGVRAYLN-XMMPIXPASA-N 440.503 3.699 0 40 IHAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1 20013665 BYSJGTILJZEVPJ-UHFFFAOYSA-N 434.411 3.502 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(F)c(F)c2)C1 20017459 RNBRSPPMYSVJSV-LBPRGKRZSA-N 444.887 3.666 0 40 IHAB COc1ccc([C@H](C)NC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 20024555 MZGKZKFYHCUEQO-SFHVURJKSA-N 430.570 3.680 0 40 IHAB Cc1ccc(C)c(N(CC(=O)Nc2ccccc2C(F)(F)F)S(=O)(=O)N(C)C)c1 20244717 VVGQKPGPKNDHQZ-UHFFFAOYSA-N 429.464 3.574 0 40 IHAB C[C@@H]1Cc2cc(C(=O)NCc3cccnc3)ccc2N1S(=O)(=O)c1ccc(Cl)cc1 20448454 VRDIPZIDEIOHOT-OAHLLOKOSA-N 441.940 3.805 0 40 IHAB Cc1cccc(Cn2cc3c(=O)n(CC(=O)NC4CCCC4)nc-3c3cc(F)ccc32)c1 20937112 WVEQUOSIZAXZKV-UHFFFAOYSA-N 432.499 3.857 0 40 IHAB O=S(=O)(c1cccc(CN(Cc2c(F)cccc2Cl)C2CC2)c1)N1CCOCC1 21317283 GMQOPMPCLASSCS-UHFFFAOYSA-N 438.952 3.665 0 40 IHAB Cc1ccccc1OC[C@H](C)NC(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 22366170 HBABXBOFBJXVNW-AWEZNQCLSA-N 445.368 3.652 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)N2CCc3ccccc32)c2ccccc2F)cc1 22396088 OFQPCZZOFBQDEA-UHFFFAOYSA-N 440.496 3.619 0 40 IHAB C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F)c1ccc(F)cc1 22621464 QIWVAKXXLGRKRW-IIBYNOLFSA-N 444.503 3.732 0 40 IHAB CCNc1nn(CC(=O)NCc2ccc(C)cc2)c(N)c1-c1nc(-c2ccccc2C)no1 23125424 VUWHQXCJSIRWST-UHFFFAOYSA-N 445.527 3.547 0 40 IHAB O=C(c1ccc(-n2cnc3ccccc32)cc1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 23957307 FUPHHOHVVULZJO-UHFFFAOYSA-N 438.531 3.918 0 40 IHAB COc1ccc(C)cc1NC(=O)CNC(=O)CN1Cc2ccccc2[C@H](c2ccccc2)C1 25401669 UBSHVRGKTIKWNV-QHCPKHFHSA-N 443.547 3.706 0 40 IHAB COC(=O)c1cc(CN(C)C(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C)oc1C 30574232 OMUKRJQNWLUOOQ-UHFFFAOYSA-N 436.390 3.555 0 40 IHAB COC(=O)c1c(CC(C)C)csc1NC(=O)c1nn(-c2ccccc2F)c(C)cc1=O 32832951 UWAIPERDMGUWEU-UHFFFAOYSA-N 443.500 3.979 0 40 IHAB COC(=O)[C@H]1CN(C(=O)c2ccc(OCc3ccccc3)c(OC)c2)c2ccccc2O1 32983166 USRIGEOSKRYAML-HSZRJFAPSA-N 433.460 3.855 0 40 IHAB CC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C[C@@H]([C@@H]3C2=O)[C@H]2ON=C(c3ccc(Cl)cc3)[C@H]42)cc1 36580069 JUKXLVWUIODHES-AGMHDLFCSA-N 434.879 3.717 0 40 IHAB CS(=O)(=O)N1CC[C@@H](C(=O)Nc2ccc(C(F)(F)F)cc2)Oc2ccc(Cl)cc21 38860532 QSAHCEVLJSYPHT-INIZCTEOSA-N 448.850 3.915 0 40 IHAB Cc1ccccc1CN1CCC(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)CC1 39751490 DAYRNFJLAGZARM-JOCHJYFZSA-N 435.568 3.755 0 40 IHAB CC[C@@H]1CCCCN1C(=O)[C@@H](C)S(=O)(=O)Cc1cc(Cl)c2c(c1)OCCCO2 40106123 IVAITIQKTPHRAS-GDBMZVCRSA-N 429.966 3.596 0 40 IHAB O=C(O)[C@H](Cc1ccccc1)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1F 40283326 KKXGEQBJMLSPLA-ICSRJNTNSA-N 442.878 3.555 0 40 IHAB O=C(Nc1ccc(F)cc1)N1CCC(CNS(=O)(=O)Cc2ccccc2Cl)CC1 43962302 BGIKLERPGIPEHA-UHFFFAOYSA-N 439.940 3.843 0 40 IHAB CC(=O)c1cc2c(N)c(C(=O)Nc3cc(Cl)ccc3-n3cncn3)sc2nc1C 57963354 KIJINNYGZPYGAY-UHFFFAOYSA-N 426.889 3.876 0 40 IHAB O=C(Cn1ncn2nc(-c3cccc4ccccc34)cc2c1=O)N[C@H]1CCc2ccccc21 67208682 XTVISNMUXPZQBB-QFIPXVFZSA-N 435.487 3.515 0 40 IHAB CCOC(=O)C1=C(CN2CCc3ccccc3C2)NC(=O)N[C@@H]1c1ccc(SC)cc1 67286890 TWBSSNUGGDGTOC-JOCHJYFZSA-N 437.565 3.638 0 40 IHAB CSc1nc2cc(C)n(CC(=O)Nc3cccc(C(C)=O)c3)c2c(=O)n1CC(C)C 67320029 LCQYEVHBCSIERC-UHFFFAOYSA-N 426.542 3.726 0 40 IHAB COc1ccc(Cl)cc1NC(=O)CN1CCc2nc(NC(=O)c3ccco3)sc2C1 70638559 OCYDEBYISGXXOA-UHFFFAOYSA-N 446.916 3.647 0 40 IHAB CSc1ccc([C@H]2NC(=O)N(CC(=O)Nc3cccc(Cl)c3)C3=C2C(=O)OC3)cc1 71326828 BKHLXNCPACUYOW-LJQANCHMSA-N 443.912 3.578 0 40 IHAB CCN(CC)[C@@H](C(=O)NC[C@@H]1CN(CC(C)C)CCO1)c1cccc(C(F)(F)F)c1 72284270 KZISERCOKVKXSR-WOJBJXKFSA-N 429.527 3.561 0 40 IHAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H]1c1cccc(Nc2ccccn2)n1 72375679 XFVQCSTVLRYGDZ-QGZVFWFLSA-N 428.489 3.894 0 40 IHAB CNc1cc([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc(CN(C)C(=O)C2CCCCC2)n1 72391846 IUHFOYHHDXVRIO-HXUWFJFHSA-N 435.572 3.573 0 40 IHAB CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)CCCS(=O)(=O)N2CCCC2)C(C)(C)O1 95991722 AAPAAADYLFKHCI-HXUWFJFHSA-N 436.618 3.567 0 40 IHAB CCOc1ccc(N(CC(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)S(=O)(=O)c2ccccc2)cc1 100601800 ATDDJUNKFWSNRI-JBYIUTFZSA-N 428.554 3.585 0 40 IHAB CCOc1ccc(CCC2CCN(C(=O)[C@H](C)N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)CC2)cc1 102588258 VCTJBMZFSFZQOV-TZYHBYERSA-N 438.568 3.596 0 40 IHAB CC(C)Oc1cccc(CNC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)c1 113955912 KYPYDSKXDUUESV-UHFFFAOYSA-N 438.977 3.990 0 40 IHAB COC(=O)c1cc(NC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)ccc1Cl 222556730 NOINECHUNHJZOZ-UHFFFAOYSA-N 438.933 3.620 0 40 IHAB Cc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N(C)C)cc2)c(Br)c1 223046403 VMUZCUHGXOKQKF-UHFFFAOYSA-N 425.348 3.579 0 40 IHAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CCCO1 223124498 JCUMVEOSJSVACB-YADHBBJMSA-N 428.960 3.985 0 40 IHAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc(F)cc1 223128385 QELWTJCLFNNSBM-DEOSSOPVSA-N 434.511 3.981 0 40 IHAB CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OC)c1ccc(OC)c(C)c1 223296140 UFZIXTDNKSZYRD-HXUWFJFHSA-N 446.569 3.678 0 40 IHAB Cc1cccc(OCCNC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)c1 223796652 FRRKXIISFWHUDP-UHFFFAOYSA-N 438.549 3.770 0 40 IHAB CN(C)S(=O)(=O)N(CC(=O)Nc1ccc2c(c1)oc1ccccc12)c1ccccc1F 224342022 XIIYEOLAUOAMEP-UHFFFAOYSA-N 441.484 3.977 0 40 IHAB CCOc1ccccc1N(CC(=O)O)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224616611 OIANXPXEIFSOSY-UHFFFAOYSA-N 434.297 3.681 0 40 IHAB CCc1ccccc1N(CCCC(=O)NCCOc1ccc(C)cc1C)S(C)(=O)=O 224661379 STHKWZFZWOEJMT-UHFFFAOYSA-N 432.586 3.607 0 40 IHAB COc1ccc(CN(C)C(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 225999997 HGPAQEBGLUVIHR-UHFFFAOYSA-N 444.597 3.986 0 40 IHAB c1ccc(COc2cccc(CN3CCOC[C@@H](Cc4cccn5nccc45)C3)c2)nc1 257286943 PNSQHPHLAQKBJY-QFIPXVFZSA-N 428.536 3.999 0 40 IHAB Cc1ccc(C(=O)CN(C(=O)c2ccccc2Cl)N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 408643155 FPWPSKXGTRTODA-PEYKTXOXSA-N 448.906 3.696 0 40 IHAB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OCc3cccc(C(=O)O)c3)cc2)C1=O 409069899 YMVYLPKXUMNSHG-FHXOWUIVSA-N 441.461 3.562 0 40 IHAB CCN1CCN(C(=O)C2CCNCC2)C[C@H](Cc2ccccc2-c2ccc(C)cc2)C1=O 585172773 SVFWXYACVBNEJY-DEOSSOPVSA-N 433.596 3.511 0 40 IHAB Cc1ccccc1CN(C)[C@H]1[C@H](NC(=O)OC(C)(C)C)C[C@@H](Oc2ccccc2)[C@@H]1O 585262264 HMJGJDMJXCTTBD-LUKWVAJMSA-N 426.557 3.901 0 40 IHAB Cn1nc(-c2ccccc2)cc1C(=O)N1CC[C@@H](Oc2ccncc2Br)C1 1775972694 RHIFWFNCSDULOM-OAHLLOKOSA-N 427.302 3.538 0 40 IHAB COc1ccc(NC(C)=O)cc1CNC(=O)CN1C[C@H]2CCC[C@H](Cc3ccccc3)[C@H]2C1 1848354226 HMBLWPBEAMOVGF-TZBSWOFLSA-N 449.595 3.861 0 40 IHAB CCc1ccc(OCc2nnc(SCCN3CCOCC3)n2Cc2ccccc2)cc1 916419 IMJVTKADFYNRIQ-UHFFFAOYSA-N 438.597 3.892 0 40 IHAB Cc1ccc(C)c(NC(=O)Cc2nc(COC(=O)[C@@H]3COc4ccccc4O3)cs2)c1 2640751 TYUYHOYXUAKJJL-FQEVSTJZSA-N 438.505 3.824 0 40 IHAB Cc1ccc([C@@]2(C)NC(=O)N(Cc3nnc(-c4ccccc4Br)o3)C2=O)cc1 2647930 JDRRTVQRVIOYKU-HXUWFJFHSA-N 441.285 3.775 0 40 IHAB CCn1nc(C(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)c2ccccc2c1=O 2664484 ZESJUYJSFYCXGA-UHFFFAOYSA-N 436.493 3.809 0 40 IHAB CCOC(=O)CN1C(=O)S/C(=C\c2ccc(OCc3ccc(C(=O)O)cc3)cc2)C1=O 2987955 JOFRUBMSFYQXGO-WQRHYEAKSA-N 441.461 3.563 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)Nc1ccc2c(c1)OCCO2 3285632 ZIADCDHMVRSNJQ-UHFFFAOYSA-N 442.468 3.958 0 40 IHAB CCc1nc2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2nc1CC 3354537 ROYXYSFWPNDYPR-UHFFFAOYSA-N 438.553 3.791 0 40 IHAB CCOCCCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nc2ccccc2c1=O 6600201 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COc1cccc(-n2c(SCC(=O)Nc3ccc(C)cc3)nc3c(c2=O)SCC3)c1 9602961 BKXHTOMTKHYQDZ-UHFFFAOYSA-N 439.562 3.929 0 40 IHAB COc1ccc(Cn2c(SCC(=O)Nc3ccccc3C)nc3ncccc3c2=O)cc1 9830356 HMPDNNIOAUDSQD-UHFFFAOYSA-N 446.532 3.888 0 40 IHAB C[C@@H](OC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ncnc2[nH]cnc12 9909013 GKIBSBHYHPJFJR-SSDOTTSWSA-N 447.295 3.575 0 40 IHAB O=C(Nc1ccc(I)cc1C(=O)N1CCCCC1)c1cccnc1 10037863 WMXGIGHMQAEROS-UHFFFAOYSA-N 435.265 3.565 0 40 IHAB CCOc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)cc1 10448941 HNJWOZDWJXFZON-UHFFFAOYSA-N 446.569 3.589 0 40 IHAB CCN(CC(=O)NCc1cccs1)C(=O)CSc1nccn1-c1cc(C)ccc1C 10879129 VFUBDJRYJLULEJ-UHFFFAOYSA-N 442.610 3.808 0 40 IHAB CSCC[C@H](NC(=O)c1ccccc1)C(=O)Nc1nc2cc3c(cc2s1)OCCO3 11751582 IEADJZDKGPQFCO-AWEZNQCLSA-N 443.550 3.558 0 40 IHAB COc1cccc(OC[C@@H]2[C@@H]3CC[C@@H](C3)N2C(=O)c2cc(OC)c(OC)c(OC)c2)c1 12085268 JAVAMLPZBFIAOI-OXFYSEKESA-N 427.497 3.793 0 40 IHAB COc1ccc2c(c1)NC1(CCN(C(=O)c3ccc4c(c3)OCCO4)CC1)c1cccn1-2 12117283 HGQXDEGEGJBZDK-UHFFFAOYSA-N 431.492 3.814 0 40 IHAB O=S1(=O)CC[C@H](N(Cc2ccccc2)Cn2ncn(-c3cccc(Cl)c3)c2=S)C1 12516797 SZSMNXLNYLFWHN-IBGZPJMESA-N 449.001 3.703 0 40 IHAB O=S(=O)(Nc1ccccc1N1CCOCC1)c1ccc(Br)cc1Cl 12557065 ITEPOVCCEXUMAI-UHFFFAOYSA-N 431.739 3.740 0 40 IHAB CCn1c(SCC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)nnc1C1CC1 13002788 HEUYISQYOFRTIE-AWEZNQCLSA-N 439.463 3.574 0 40 IHAB COc1ccc(NC(=O)Cn2nc(-c3ccco3)c3sc(C)nc3c2=O)cc1Cl 13010601 CTPWSANKOWUOLL-UHFFFAOYSA-N 430.873 3.722 0 40 IHAB CCN(CC)C(=O)CN1CCCN(c2ncnc3scc(-c4ccc(F)cc4)c23)CC1 13013159 AWQQXKNVWGIWOF-UHFFFAOYSA-N 441.576 3.878 0 40 IHAB C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 13096366 VVMOMEBYGVQMAO-OXQOHEQNSA-N 444.553 3.957 0 40 IHAB CC(=O)c1ccc(N2CCN(CC(=O)Nc3ccc(C)cc3Br)CC2)cc1 13479946 WFOUCXDKGAXQPN-UHFFFAOYSA-N 430.346 3.721 0 40 IHAB COc1ccc(NC(=O)[C@@H](C)Sc2nnc(COc3ccc(C)cc3OC)n2C)cc1 13568863 COOIZKNHEYSDIL-OAHLLOKOSA-N 442.541 3.839 0 40 IHAB O=C(Cc1csc(SCC(=O)c2ccc3c(c2)OCO3)n1)NCc1ccccc1 13654639 QCAVZOSLPMRZJP-UHFFFAOYSA-N 426.519 3.706 0 40 IHAB COc1ccc(C(=O)Nc2nnc([C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)s2)cc1 13944244 FIDUFXDWFRWTRE-ZDUSSCGKSA-N 428.901 3.973 0 40 IHAB COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 14006482 OCXIUGZIXVWTGI-INIZCTEOSA-N 426.494 3.902 0 40 IHAB CC(=O)N(c1nc(COC(=O)c2n[nH]c(=O)c3ccccc23)cs1)c1ccccc1F 14071224 NPNCLHKJGQUFDA-UHFFFAOYSA-N 438.440 3.560 0 40 IHAB CCCCn1c(N)c(N(Cc2ccccc2)C(=O)CCCc2cccs2)c(=O)[nH]c1=O 14625196 XQONCMLOGDKVND-UHFFFAOYSA-N 440.569 3.537 0 40 IHAB O=S(=O)(NCCc1csc2nc(-c3cccs3)nn12)c1ccc(Cl)s1 15783864 OPVKEYUSZIKGOV-UHFFFAOYSA-N 430.989 3.755 0 40 IHAB COc1ccc(C(=O)N2c3ccccc3C[C@H]2C)cc1S(=O)(=O)N1CCCCCC1 16022929 OHAKBUJFSBOQDB-QGZVFWFLSA-N 428.554 3.851 0 40 IHAB COc1ccccc1Nc1nc(N)nc(CSc2nnc(C)n2-c2ccccc2C)n1 16669612 PDBBWSQSUDLEQA-UHFFFAOYSA-N 434.529 3.696 0 40 IHAB CCOC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cccc(Br)c2)c1 16687786 SMLBFKQIEPXCIN-UHFFFAOYSA-N 433.302 3.715 0 40 IHAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(Cl)ccc2OC)cc1Cl 16692607 PACFAOLYSIGAFX-UHFFFAOYSA-N 447.340 3.660 0 40 IHAB COc1cc(OC)cc(C(=O)Nc2ccc(-n3c(C)nc4ncccc4c3=O)cc2C)c1 17011218 NZXCRAOGMBFLCM-UHFFFAOYSA-N 430.464 3.667 0 40 IHAB Cc1cc(NC(=O)c2ccco2)n(-c2nc(O)c3cnn(-c4ccc(Cl)cc4)c3n2)n1 17011730 LBIGTMSVISXAJK-UHFFFAOYSA-N 435.831 3.514 0 40 IHAB C[C@H](Oc1ccccc1F)c1nnc(S[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)o1 17040283 JVSOXRZAILJPMM-QWHCGFSZSA-N 442.472 3.815 0 40 IHAB COc1ccc(CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)c2cc(N(C)C)nc(C)n2)cc1 19240865 AZDUNXSAEFCOOO-QHCPKHFHSA-N 443.551 3.984 0 40 IHAB COc1cc(C(=O)N2CCCC[C@H]2c2nn(C)cc2-c2ccncc2)cc(OC)c1OC 19290071 AIRPRGRCTCNMOY-IBGZPJMESA-N 436.512 3.875 0 40 IHAB CCCN1CCN(C(=O)c2ccnn2C)C[C@H](Cc2ccccc2-c2ccc(C)cc2)C1=O 19503153 ZDAPHOHLRGBCME-QHCPKHFHSA-N 444.579 3.949 0 40 IHAB CNc1nc([C@H]2CCCN(C(=O)c3cc(C4CCCCC4)no3)C2)nc2c1CCN(C)C2 19708799 ZSQVQSANFUAARO-KRWDZBQOSA-N 438.576 3.562 0 40 IHAB Cc1ncc(C(=O)NCc2ccccc2)c([C@@H]2CCCCN2C(=O)COc2ccccc2)n1 19766490 XMAPPYJFUXPPAR-QHCPKHFHSA-N 444.535 3.848 0 40 IHAB CCOC(=O)[C@@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@@H]1c1ccncc1 19820811 PQFCZTYXAQMNAN-XZOQPEGZSA-N 440.503 3.789 0 40 IHAB CC(C)Oc1ccc(CNC(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1 20452061 XJZIOURIEJBDRO-UHFFFAOYSA-N 445.368 3.863 0 40 IHAB CC(C)[C@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3cc(F)ccc3F)N2C1=O 21052751 SMXJHZSKPAXAST-GOSISDBHSA-N 428.464 3.951 0 40 IHAB CCCCC[C@H](C)NC(=O)CCc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1C 21053138 UYBKIPWLJPGYOT-KRWDZBQOSA-N 436.622 3.621 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)N2CCN(Cc3cc(=O)oc4c(C)c(C)ccc34)CC2)c1 21848846 NDXKAACOMWBTAI-UHFFFAOYSA-N 440.565 3.533 0 40 IHAB CC(C)Oc1cccc(CNC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)c1 22341575 GWNMRWOTDMACFX-UHFFFAOYSA-N 445.368 3.863 0 40 IHAB Cc1noc(C)c1COc1cccc(C(=O)NCC2(N3CCOCC3)CCCCC2)c1 23763659 HZMOPBPJXNMXFH-UHFFFAOYSA-N 427.545 3.635 0 40 IHAB CC(C)OC(=O)CCNC(=O)c1ccccc1NC(=O)c1ccccc1Br 24774511 IZVRZYBOEPZSAK-UHFFFAOYSA-N 433.302 3.773 0 40 IHAB Cc1ccc([C@]2(c3ccccc3)NC(=O)N(CC(=O)N(C)C3CCCCC3)C2=O)cc1C 25636658 PTROPJGBPXRTHP-SANMLTNESA-N 433.552 3.890 0 40 IHAB Cc1cc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)ccc1-n1cnnn1 29106782 JRDSPXRKOWVPDJ-UHFFFAOYSA-N 431.353 3.567 0 40 IHAB O=C(NCc1ccc(N2CCOCC2)nc1)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 30669392 QRBKRWRPUAQGJG-MOPGFXCFSA-N 434.565 3.894 0 40 IHAB COc1cccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc(Cl)c3Cl)CC2=O)c1 31517643 YBOQRLKRPCRHIQ-GFCCVEGCSA-N 437.279 3.537 0 40 IHAB COc1ccc(NC(=O)c2ccc3c(=O)n(-c4ccccc4OC)cnc3c2)c(OC)c1 32096873 USDYGBMTVBQKRD-UHFFFAOYSA-N 431.448 3.664 0 40 IHAB CCc1ccc(-c2nc(=O)n(CC(=O)Nc3ccc4c(c3)OCO4)c3sc(C)nc23)cc1 32616299 CPFOYQWWYPWQBP-UHFFFAOYSA-N 448.504 3.758 0 40 IHAB CCOC(=O)C[C@@H](c1ccc(F)cc1)C1CCN(C(=O)c2cc(C(C)=O)cn2C)CC1 32809343 XISHLYRTRPVQIA-NRFANRHFSA-N 428.504 3.956 0 40 IHAB C[C@@H](Oc1ccccc1)C(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O 33385246 PNKYCPMEPYHNHV-QFGUUYLXSA-N 430.913 3.960 0 40 IHAB Cc1ccc(C2=NC3(CCN(CC(=O)Nc4cc(Cl)ccc4C)CC3)NC2=O)cc1C 35430743 HMFYYMHWZRQIBE-UHFFFAOYSA-N 438.959 3.615 0 40 IHAB biogenic COC(=O)[C@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1Cl)C(C)C 36580038 LCCQVBGVFQQFLS-WBVHZDCISA-N 425.316 3.571 0 40 IHAB Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)NCCn3nc(C(F)(F)F)cc3C)c12 36616247 JLXBFTUPASNQAE-UHFFFAOYSA-N 448.474 3.959 0 40 IHAB Cc1cc(C(=O)N2CCN(C(=O)c3cccs3)CC2)c2cnn(-c3ccccc3F)c2n1 36616456 LLCVASXPROVPKX-UHFFFAOYSA-N 449.511 3.528 0 40 IHAB CCc1noc(-c2ccc(SCC(=O)N3CCN(c4cc(C)ccc4C)CC3)nc2)n1 49405604 AIUJNSHYEABVSB-UHFFFAOYSA-N 437.569 3.752 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)CSc1nc2ccccc2n2c(CC)nnc12 64949115 MVWISDARUFJICH-UHFFFAOYSA-N 435.509 3.747 0 40 IHAB CC(C)(C)c1cc2nc([C@H]3CCCN(C(=O)c4cnccn4)C3)cc(C(F)(F)F)n2n1 72341102 DAZNZPXVFQVKTF-ZDUSSCGKSA-N 432.450 3.855 0 40 IHAB Cc1nc(CC(=O)N2CCC[C@@H]2c2nc(C)c3c(n2)N(Cc2ccccn2)CCC3)cs1 72372921 NDMDQTJGOGXRFO-OAQYLSRUSA-N 448.596 3.804 0 40 IHAB Cc1cc(S(=O)(=O)Nc2cccnc2N2C(=O)O[C@@H](C(F)(F)F)[C@H]2C)c(C)s1 89582491 DYMFRZIWAMUSBM-NOZJJQNGSA-N 435.449 3.837 0 40 IHAB CCN(CC)[C@@H](CNC(=O)COC(=O)CCCc1nc2ccccc2s1)c1ccco1 89967796 RGOJDUHXORYMMX-SFHVURJKSA-N 443.569 3.955 0 40 IHAB O=C(Nc1nnc(CCc2nnc(NC(=O)c3ccccc3)s2)s1)c1ccccc1 95116112 XUJIGEHKPZUKRP-UHFFFAOYSA-N 436.522 3.679 0 40 IHAB Cc1ccc2c(c1)N(C(=O)c1cc(S(=O)(=O)N3CCCC3)ccc1Cl)CCCO2 95458305 QNFOFOIOYKNDSC-UHFFFAOYSA-N 434.945 3.862 0 40 IHAB COC(=O)C[C@@H](c1ccc(OCCc2ccccc2)cc1)c1c(O)nc2ccccn2c1=O 96117155 OQTBTELHFIKACB-NRFANRHFSA-N 444.487 3.717 0 40 IHAB CNC(=O)c1[nH]c([C@H]2CC[C@H](CNC(=O)c3ccccn3)CC2)nc1-c1ccc(OC)cc1 100687870 PWWXCUWMOVYPGH-MAEOIBBWSA-N 447.539 3.544 0 40 IHAB C[C@H](Sc1nnnn1-c1ccc(OC(F)(F)F)cc1)C(=O)N1C[C@H](C)C[C@@H](C)C1 105702941 HLOGUQHTYWHEKH-UPJWGTAASA-N 429.468 3.546 0 40 IHAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccccc3F)cc2)cc1 113936245 WUIAWCLYOZVAOJ-UHFFFAOYSA-N 428.485 3.589 0 40 IHAB Cc1ccc(C(=O)NCCSCc2ccccc2)cc1S(=O)(=O)N1CCCCC1 115174100 ICUCXJISZBWIKC-UHFFFAOYSA-N 432.611 3.833 0 40 IHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](CC)N(c1cccc(C)c1)S(C)(=O)=O 220507481 CMGXZWCUBKDAOJ-UWJYYQICSA-N 445.585 3.707 0 40 IHAB CCOC(=O)c1cc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)ccc1Cl 222523217 BAEFPLLDSDNRQR-UHFFFAOYSA-N 445.324 3.818 0 40 IHAB O=C(NCc1cccc2ccccc12)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 222879463 HGHHUAZDMMKTLN-NRFANRHFSA-N 428.941 3.963 0 40 IHAB CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1cc(C)ccc1C 223069876 GBMSVRYQWRCAIJ-KRWDZBQOSA-N 447.373 3.998 0 40 IHAB C[C@@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1)c1ccc2c(c1)CCC2 223214231 LJBHNXQUKKNCSW-QGZVFWFLSA-N 444.572 3.734 0 40 IHAB CC[C@@H](C(=O)Nc1nnc(SCC(C)C)s1)N(c1ccccc1F)S(C)(=O)=O 223286740 FJODDIBCZHYHQL-ZDUSSCGKSA-N 446.595 3.609 0 40 IHAB CCOC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccc(OC)c(Br)c2)c1 224887047 BUJAFZYQOUVIRL-UHFFFAOYSA-N 442.331 3.768 0 40 IHAB CCOc1ccc(-c2noc(CN(C)S(=O)(=O)c3cc(C)c(OC)cc3C)n2)cc1 225645212 UTIXFQOTVLQTOS-UHFFFAOYSA-N 431.514 3.581 0 40 IHAB CCNS(=O)(=O)c1cc(C(=O)Nc2c(C)cc(Br)cc2C)ccc1OC 226044956 IQCNNXYZYRXSBR-UHFFFAOYSA-N 441.347 3.625 0 40 IHAB COc1cc(/C=C/C(N)=O)cc(I)c1OCc1ccccc1F 226335541 NTXYYJHLGCDSAP-VOTSOKGWSA-N 427.213 3.516 0 40 IHAB CC[C@@H]1c2ccc(O)c3c2[C@]24CCN(C)[C@H]1[C@]21C=C[C@@](OC)([C@@H](C(C)(C)O)C1)[C@]4(C)O3 253505437 WFNORGSBXRKKDN-XSSAEXCTSA-N 425.569 3.725 0 40 IHAB biogenic,in-vitro CCCc1ccc(OCc2ccccc2)c(CN(C)[C@@H]2CC[C@@H](N3CCOCC3)[C@@H]2O)c1 257246052 ISGCAKOJTKVBQN-RGSZASNESA-N 438.612 3.874 0 40 IHAB CC(=O)Nc1ccc(NC(=O)CN2C[C@H]3CC[C@H](Cc4ccnc(C)n4)[C@H]3C2)c(Cl)c1 257267458 MHKIPMSFFVRGDY-MBOZVWFJSA-N 441.963 3.536 0 40 IHAB Cc1nc2cc([C@@H]3CCCN3Cc3cccnc3)nn2c(C)c1CCC(=O)NCC1CC1 257288316 PTSPJLSFIVIUNR-QHCPKHFHSA-N 432.572 3.537 0 40 IHAB CCN1C[C@H](C(=O)NC[C@H]2CC[C@H](c3nc(C(C)C)ncc3-c3ccncc3)CC2)CC1=O 257332712 XYJAUYBIAARXDD-HMXCVIKNSA-N 449.599 3.920 0 40 IHAB CC(C)(O)[C@@H]1CC[C@](C)([C@H]2CC3(CCN(C(=O)c4ccc5ncccc5c4)CC3)CO2)O1 257336364 YOBRMBLORUZYHJ-SGIRGMQISA-N 438.568 3.955 0 40 IHAB CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)N2CCCCCC2)CC1 408561236 RLXYIBMATPSQPL-UHFFFAOYSA-N 428.982 3.542 0 40 IHAB O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl)Nc1ccc(F)cc1F 408591742 KBFJORWKPCEOQB-UHFFFAOYSA-N 444.887 3.857 0 40 IHAB COc1cccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(C)cc2)c1 409054506 ASZRSARRRZTDBU-WSBKAMHLSA-O 448.930 3.673 0 40 IHAB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(OC)ccc3OC)C2=O)cc1 409098171 NWFSPDADOUBXJY-XDHOZWIPSA-N 442.493 3.778 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)cc1C 409117745 MNQVBWVACJNLPG-UHFFFAOYSA-N 446.550 3.914 0 40 IHAB COC(=O)COc1c(Cl)cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1Cl 409221650 UHKDIJSPMQNKOB-CXUHLZMHSA-N 435.263 3.638 0 40 IHAB CCOc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=O)N(C)C2=O)cc1OC 409354255 BCJUYEDRSOOXOY-XDHOZWIPSA-N 442.493 3.778 0 40 IHAB O=C1C[C@H](c2cc(Br)ccc2OCc2ccc(Cl)cc2)N2NC=NC2=N1 409369987 IWKNBDTYDZRNAM-OAHLLOKOSA-N 433.693 3.857 0 40 IHAB COc1cc([C@@H](CC(=O)NCCC2=CCCCC2)c2oc(C)cc(=O)c2O)ccc1O 524729715 GGQSWJGCEZKDKF-GOSISDBHSA-N 427.497 3.897 0 40 IHAB biogenic CC(C)(NC(=O)c1ccc(F)cc1)C(=O)N1CCOC[C@H](Cc2cncc3ccccc23)C1 585262095 WCAHQWQHDAWZID-GOSISDBHSA-N 449.526 3.600 0 40 IHAB C[C@H]1CN(c2ccc(NC(=O)c3cc4c(C(F)(F)F)cc(O)nc4o3)cn2)C[C@H](C)O1 618054708 MFBMDOOMZXTECV-QWRGUYRKSA-N 436.390 3.813 0 40 IHAB CC[C@@H](c1ccccc1)c1nnc(NC(=O)Cc2csc(S[C@@H](C)C(N)=O)n2)s1 1514806407 SNBRRZMYFURDLA-FZMZJTMJSA-N 447.611 3.684 0 40 IHAB CC(C)(C)c1nc2ccccc2n1C1CN(C(=O)c2ccc(N3C(=O)CCC3=O)cc2)C1 1889276389 MZEXZIKTNYPCNN-UHFFFAOYSA-N 430.508 3.684 0 40 IHAB O=C1N[C@H](c2ccc(Br)cc2)[C@H](C(=O)c2ccccc2)[C@](O)(C(F)(F)F)N1 1009632 DNRBHMCGLHWPTR-CPUCHLNUSA-N 443.219 3.553 0 40 IHAB Cc1c(CCC(=O)N[C@H](C(=O)O)C(C)C)c(=O)oc2cc3oc4c(c3cc12)CCCC4 2155743 SKUPYTZNAJAAGN-QFIPXVFZSA-N 425.481 3.884 0 40 IHAB biogenic Cc1ccc(C2(c3ccc(C)cc3)NC(=O)N(CC(=O)N3CCc4ccccc43)C2=O)cc1 2616584 HTVGCCCIKRRTQA-UHFFFAOYSA-N 439.515 3.688 0 40 IHAB COc1ccccc1-n1cnnc1SCC(=O)c1cc(C)n(C[C@H]2CCCO2)c1C 2627035 RTOYOQCWIJAASL-QGZVFWFLSA-N 426.542 3.848 0 40 IHAB COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)NCc1ccc(F)cc1 3393500 GXOXOUCCSGECJK-UHFFFAOYSA-N 440.496 3.516 0 40 IHAB COc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(OC)cc3)c2)cc1 3548227 UPIKHHBIQRRECU-UHFFFAOYSA-N 426.494 3.781 0 40 IHAB CCCCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc2c(cc1Br)OCO2 4141504 GQPKGZGUZWJMBN-KRWDZBQOSA-N 439.306 3.929 0 40 IHAB CCCOc1ccc(NC(=O)CCC(=O)N2CCN(c3ccccc3OC)CC2)cc1 4704269 GUXJXFHXQFBDHI-UHFFFAOYSA-N 425.529 3.552 0 40 IHAB CCOC(=O)C1=C(C)N=C2SCC(=O)N2[C@@H]1c1c(OC)ccc2ccc(OC)cc12 8660800 BBIOSUSCSMBXBJ-FQEVSTJZSA-N 426.494 3.680 0 40 IHAB CC(C)Cn1c(S[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)nc2ccccc2c1=O 8882368 GYEUWIKRLQKKPI-HNNXBMFYSA-N 439.537 3.578 0 40 IHAB CCN(CC)c1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2N)cc1 8885135 OPVAGLQOZJAALX-UHFFFAOYSA-N 430.965 3.889 0 40 IHAB Cn1c(=O)n(CCCc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(Cl)cc1 9089205 HHXNTDNSOOLXCQ-UHFFFAOYSA-N 449.942 3.725 0 40 IHAB O=C(CCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccc2c(c1)OCCCO2 9365779 JTKQXPQNFSOCOS-UHFFFAOYSA-N 436.508 3.688 0 40 IHAB O=C(COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)NCCC1=CCCCC1 9580044 RBSYPPFENXCOGV-HSZRJFAPSA-N 434.536 3.578 0 40 IHAB COc1cc(C(=O)OCC(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc(OC)c1OC 9883873 HROJDVUAIJSXLQ-UHFFFAOYSA-N 442.493 3.940 0 40 IHAB COC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(C)c3)C(=O)N2CC(C)C)cc1 9892372 OGXGIOFSRUQHNQ-HXUWFJFHSA-N 437.496 3.604 0 40 IHAB CCCOC(=O)c1cc(NC(=O)COc2ccccc2Cl)ccc1N1CCOCC1 9907841 BGZUHNDHYHVESK-UHFFFAOYSA-N 432.904 3.761 0 40 IHAB CCOC(=O)c1cccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(C)c3)C(=O)N2C(C)C)c1 9934239 PDQXMWXAWPBJDA-HXUWFJFHSA-N 437.496 3.746 0 40 IHAB COCCn1c(SCc2nc(N)nc(Nc3ccccc3)n2)nnc1-c1cccc(C)c1 12533954 JAMHRNLGKBQBGS-UHFFFAOYSA-N 448.556 3.703 0 40 IHAB O=C(CCN1CCSC1=O)NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1 12759828 NDTDHNSSSJVFPK-UHFFFAOYSA-N 437.565 3.651 0 40 IHAB O=C(NC1CCCCC1)[C@H](c1ccncc1)N(Cc1ccccc1)C(=O)c1csnn1 12871649 TXCAMFSHEWQMHM-NRFANRHFSA-N 435.553 3.766 0 40 IHAB COC(=O)[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)CC1 12914689 YWQIZQODAZCOPJ-JOCHJYFZSA-N 440.446 3.897 0 40 IHAB CC1=C(C(=O)N2CCOCC2)[C@H](c2ccccc2C(F)(F)F)NC(=O)N1CCC(C)C 13059512 OPFJKHGIXYQWMI-IBGZPJMESA-N 439.478 3.951 0 40 IHAB COCC(=O)Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C[C@H](c1ccc(OC)cc1)N2 13127243 IVTWYJRMCCRDBE-QZTJIDSGSA-N 427.892 3.671 0 40 IHAB Nn1c(SCC(=O)Nc2ccccc2SCc2ccccc2)nnc1[C@@H]1CCCO1 13149591 ZGRDULVDLXSANK-KRWDZBQOSA-N 441.582 3.867 0 40 IHAB CSCc1cccc(C(=O)O[C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 13149737 ZAEAWBRIDJUBEF-MRXNPFEDSA-N 439.537 3.531 0 40 IHAB COc1ccccc1-c1nc(S(=O)(=O)c2ccc3c(c2)OCCO3)c(NC2CC2)o1 13721934 LEMUOBCECTYULN-UHFFFAOYSA-N 428.466 3.529 0 40 IHAB Cc1ccnc(-n2c(SCC(=O)Nc3ccnn3C(C)C)nc3ccccc3c2=O)c1 15277526 SPKLWLLEYRLYNI-UHFFFAOYSA-N 434.525 3.597 0 40 IHAB O=C(OC[C@@H]1CCCN2CCCC[C@@H]12)c1nn2cc(Br)cnc2c1Cl 15319709 UPZBPJXOSSLKCU-AAEUAGOBSA-N 427.730 3.567 0 40 IHAB COc1ccccc1CCNC(=O)Cc1csc(NC(=O)Nc2ccccc2OC)n1 16047514 NBVQOQCNSPGJBV-UHFFFAOYSA-N 440.525 3.706 0 40 IHAB CS(=O)(=O)N1CCN(c2ccc(NC(=O)c3cccc4c(Cl)cccc34)cc2)CC1 16248524 SSEPJDBFHOWHFE-UHFFFAOYSA-N 443.956 3.827 0 40 IHAB C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2)C1=O)c1cc2ccccc2o1 18410916 HXGCFWPGADJFRW-XMHCIUCPSA-N 425.872 3.731 0 40 IHAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)OC(=O)CCn1c(=O)oc2cc(Cl)ccc21 19161211 NAQKVVSBDSUHRQ-UONOGXRCSA-N 428.872 3.548 0 40 IHAB Cc1cccc(C2(O)CCN(C[C@@H](O)c3ccc4c(c3)CCCN4C(=O)C(C)C)CC2)c1 19234503 IGMHLHXORZPCBK-RUZDIDTESA-N 436.596 3.947 0 40 IHAB CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN(C(=O)c3ccc(N)nc3)C2)n1 19694259 NMVQVXAOIHHHSJ-QGZVFWFLSA-N 436.947 3.860 0 40 IHAB CNc1cc(CN(C)CC(=O)Nc2ccccc2-c2ccccc2)nc([C@H]2CCCNC2)n1 19709596 AGUFWMXZHRQLOO-FQEVSTJZSA-N 444.583 3.723 0 40 IHAB CC(=O)N1CCC[C@@H]1c1nc(CN(C)C(=O)c2ccc3[nH]c(C)c(C)c3c2)cc(N(C)C)n1 19709806 GOLBJDVVKJSCSS-JOCHJYFZSA-N 448.571 3.596 0 40 IHAB Cc1nc([C@@H]2CCCCN2C(=O)c2cc(C3CC3)on2)nc2c1CCC(=O)N2CC(C)C 19740815 MZTJUKDTGLMEOJ-IBGZPJMESA-N 437.544 3.953 0 40 IHAB CC1CCN(CCC(=O)N2CCCC[C@H]2c2cc(C(F)(F)F)c3c(N)n[nH]c3n2)CC1 19743429 OBOYRBWWRYAMIU-INIZCTEOSA-N 438.498 3.735 0 40 IHAB COc1c(C)cccc1CN1CCC(Cc2nn(C)cc2C(=O)NCc2ccccn2)CC1 19756725 AJZXZZHQZVCMHL-UHFFFAOYSA-N 447.583 3.517 0 40 IHAB Cc1nc([C@H]2CCCN(C(=O)CCCn3ccnc3C)C2)ncc1C(=O)Nc1ccccc1 19765257 JCYRMEFEVFYQLR-FQEVSTJZSA-N 446.555 3.729 0 40 IHAB Cc1ccc(C)c([C@@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)c1 20043832 DLDCQFDCXXQMKS-GOSISDBHSA-N 432.561 3.862 0 40 IHAB COc1cc2c(cc1OC)[C@H](c1c(O)[nH]c(=S)n(CCC3=CCCCC3)c1=O)NCC2 20113955 CYDQUPYBBLOGOT-HXUWFJFHSA-N 443.569 3.754 0 40 IHAB biogenic Cc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c2cc(F)cc(F)c2n1 20744988 MLVUXXBAGGIBOH-UHFFFAOYSA-N 431.464 3.858 0 40 IHAB CC(C)n1cnc2nc(COc3ccccc3NC(=O)Nc3cccc(F)c3)cc(=O)n21 21800837 CWWIZIQFOKLOPS-UHFFFAOYSA-N 436.447 3.834 0 40 IHAB Cc1ccc(C(=O)CCC(=O)OCc2nc(N)nc(Nc3ccc(Cl)cc3)n2)cc1 22019282 NKNXEBCSLUDELL-UHFFFAOYSA-N 425.876 3.866 0 40 IHAB COCCn1c(C)cc(O)c([C@@H](c2ccncc2)N2CCC(Cc3ccccc3)CC2)c1=O 22697899 GAUASNBQAGVTGD-AREMUKBSSA-N 447.579 3.948 0 40 IHAB COc1ccc(NC(=O)C(=O)NC[C@@H](c2cccs2)N2CCc3ccccc3C2)cc1 22908139 GLLDXQONVKNETO-NRFANRHFSA-N 435.549 3.611 0 40 IHAB CCOc1c(Br)cc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1OC 23805002 GMINDDXOFXXQPN-UHFFFAOYSA-N 433.346 3.814 0 40 IHAB CC(C)[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)N1CCN(Cc2ccsc2)CC1 23881534 YWAKZRXBNNBRQY-VWLOTQADSA-N 449.620 3.929 0 40 IHAB CCCN(Cc1ccccc1)C(=O)CCn1cnc2ccc(Br)cc2c1=O 24326014 MGKVXVRCRIMXAS-UHFFFAOYSA-N 428.330 3.988 0 40 IHAB Cc1ccc2[nH]c3c(c2c1)CN(C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1)CC3 25543587 JBTWFJBMBOTRDA-QHCPKHFHSA-N 427.504 3.995 0 40 IHAB O=C1c2cccc3cccc(c23)C(=O)N1CCN1CCN(C(=S)c2ccc(F)cc2)CC1 34931024 PPZDGFZUIBTOIF-UHFFFAOYSA-N 447.535 3.568 0 40 IHAB CCCCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4(C)[C@H]3[C@@H](O)C[C@@]21C 36379707 FZCHYNWYXKICIO-MIEBORLRSA-N 446.584 3.523 0 40 IHAB CCn1nc(C)c2c(C(=O)Nc3cc(C(F)(F)F)ccc3-n3cncn3)cc(C)nc21 36616585 DZXWENJXLCYYRE-UHFFFAOYSA-N 429.406 3.920 0 40 IHAB O=S(=O)(NCCCCN1CCO[C@H](c2ccccc2)C1)c1ccc2c(c1)CCCC2 36700399 CFWVWUJLGXDRCI-DEOSSOPVSA-N 428.598 3.697 0 40 IHAB CC(=O)c1cc2c(cc1NC(=O)COc1ncnc3c(Cl)cc(Cl)cc13)OCO2 39210275 JMQLZNROZSWGPH-UHFFFAOYSA-N 434.235 3.885 0 40 IHAB COc1ccccc1-c1nn(CN2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)c(=S)o1 40149180 YMFYUBZYXGQDON-MRXNPFEDSA-N 439.541 3.893 0 40 IHAB O=C(c1ccccc1-c1ncc(-c2ccccc2)o1)N1CCC(C(=O)N2CCOCC2)CC1 43755984 SIYRNJPXQLKSSC-UHFFFAOYSA-N 445.519 3.720 0 40 IHAB CCN(Cc1ccccc1)C(=O)Cn1c(=O)n(-c2cccc(C)c2C)c(=O)c2sccc21 67218376 AQFGEMGOCCQQGW-UHFFFAOYSA-N 447.560 3.879 0 40 IHAB O=C(NCCn1ccc2ccccc21)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 71287762 YIEPMPCQLYEVMP-UHFFFAOYSA-N 431.945 3.655 0 40 IHAB COc1ncc([C@]2(O)CC[C@H]3CN(Cc4ccc(-c5ccc(F)cc5)o4)C[C@H]32)c(OC)n1 72392603 GESTYXPAPZEGHE-LZBHBKQYSA-N 439.487 3.623 0 40 IHAB NC(=O)CCOc1ccccc1NC(=O)c1ccc(Sc2ccccc2Cl)nn1 78903220 MUDLAPSUFABBTE-UHFFFAOYSA-N 428.901 3.788 0 40 IHAB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)OC[C@@H]2COc3ccccc3O2)cc1 89365491 XORRNHBLVKCPRB-IBGZPJMESA-N 439.489 3.509 0 40 IHAB C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)c1cncc(F)c1 95465094 YGCHCVWKWZXDQK-AWEZNQCLSA-N 439.940 3.930 0 40 IHAB CC(C)CCN1[C@H]2CCN(Cc3ccccn3)CC[C@@H]2Oc2ccccc2S1(=O)=O 96145823 PPQQKRYNRYWATQ-SFTDATJTSA-N 429.586 3.544 0 40 IHAB Cc1ccc(F)c(N2CCC(NS(=O)(=O)c3ccc(F)cc3Br)CC2)c1 97163891 VTTXOUBHFFFCEH-UHFFFAOYSA-N 445.329 3.983 0 40 IHAB COCCCNC(=O)/C(=C\C1=Cc2ccccc2O[C@@H]1C)NC(=O)c1ccc(Cl)cc1 102617309 BNNICPWVSFNDME-GXPOEHQZSA-N 440.927 3.971 0 40 IHAB CCCCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 104243155 JJLJXYKCVDVFKY-GBESFXJTSA-N 449.617 3.684 0 40 IHAB C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@]4(O)[C@@H](C[C@H]5[C@H]4C[C@@H](O)[C@H]4C[C@@H](O)CC[C@]45C)[C@H]3CN2C1 105383600 NQGYOUYEGZOZBN-PKGQBZHWSA-N 431.661 3.678 0 40 IHAB biogenic CC[C@H](NC(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O)c1ccc(OC)cc1 113961331 SMOQSYUEULAPTO-NRFANRHFSA-N 434.558 3.518 0 40 IHAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H](OC(C)=O)[C@](O)(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 118932126 CDKRMWAXMJVXDE-YOZNSUPBSA-N 432.557 3.743 0 40 IHAB Cc1ccc(Sc2ccc(/C=C3/SC(=O)N(CC(=O)N4CCOCC4)C3=O)o2)cc1 214312407 LQMPRJIRUORADB-SFQUDFHCSA-N 444.534 3.634 0 40 IHAB CC[C@@H](C(=O)NCCCc1ccccc1Cl)N(c1ccccc1F)S(C)(=O)=O 220600783 DRLLBIPEALIVMV-SFHVURJKSA-N 426.941 3.773 0 40 IHAB CN(c1ccc(C(=O)NCCSc2ccc(Cl)cc2)c(Cl)c1)S(C)(=O)=O 222510568 DRKZBUHXUSEUGJ-UHFFFAOYSA-N 433.382 3.911 0 40 IHAB Cc1ccc(OC[C@@H](C)NC(=O)CCCN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 222575066 YFKQRKIGCGNWGR-HXUWFJFHSA-N 432.586 3.742 0 40 IHAB O=C(NCCSC1CCCC1)[C@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 222577697 VTKAASAGEGSGNL-KRWDZBQOSA-N 445.050 3.674 0 40 IHAB COC(=O)c1cn(C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)c2ccccc12 222593482 OTPRSLHJOGBBMB-UHFFFAOYSA-N 434.473 3.917 0 40 IHAB COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)N(C)c3ccc(F)cc3)cc2)c1 222737441 LWZPPXYXMWHGKR-UHFFFAOYSA-N 444.484 3.677 0 40 IHAB CC[C@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C)ccc2O1)c1ccc2c(c1)CCCC2 223100649 UECXXGRDRXHNQP-REWPJTCUSA-N 442.581 3.668 0 40 IHAB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)CC1 223213810 OEMPJNXMVUCGTR-IBGZPJMESA-N 440.609 3.903 0 40 IHAB CCOc1ccc(C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)cc1C 223293279 MOCMGXMVXYBNSO-UHFFFAOYSA-N 432.542 3.829 0 40 IHAB CCOc1ccc(CN(C)S(=O)(=O)c2ccc(SC)c(C(=O)N3CCCC3)c2)cc1 223891040 SZMCJPSDZANXHW-UHFFFAOYSA-N 448.610 3.864 0 40 IHAB O=C(NCCOc1ccccc1Cl)c1cccc(S(=O)(=O)Nc2ccccc2)c1 223930123 GNSOWWRDAXAXHU-UHFFFAOYSA-N 430.913 3.950 0 40 IHAB COc1ccc(CN(C)C(=O)c2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc2)cc1 223986669 YFTWQBCFHWZDIE-UHFFFAOYSA-N 440.521 3.777 0 40 IHAB Cc1ccc(-c2nnc(NC(=O)CN(c3cc(C)cc(C)c3)S(C)(=O)=O)s2)cc1 224810825 NUHYDFTUKSUJEW-UHFFFAOYSA-N 430.555 3.535 0 40 IHAB CS(=O)(=O)N(CCCC(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1 224874068 GPSFYXONNVKLAI-UHFFFAOYSA-N 434.411 3.909 0 40 IHAB COc1cc(CN2CCN(C(=S)Nc3cc(C)ccc3C)CC2)cc(OC)c1OC 225222931 GULQBXIXSPJKFJ-UHFFFAOYSA-N 429.586 3.844 0 40 IHAB COc1ccc(NC(=O)[C@@]2(C)CCCN(c3c(C)cccc3C)S2(=O)=O)c(OC)c1 225951589 FXYCQPTWNKVSJH-JOCHJYFZSA-N 432.542 3.648 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)NC[C@](O)(c1ccsc1)c1cccs1 245187635 ZRNJOYWRZZVIOR-KRWDZBQOSA-N 429.972 3.686 0 40 IHAB O=S(=O)(NC[C@@](O)(c1ccsc1)c1cccs1)c1ccccc1OC(F)(F)F 253409142 ZNWUKBUKZKLXIR-MRXNPFEDSA-N 449.497 3.923 0 40 IHAB Cc1cccc(Nc2cccc([C@@H]3CN(S(=O)(=O)c4ccc(F)c(C)c4)CCO3)n2)n1 257314636 UXUXDXLDFHYBGG-FQEVSTJZSA-N 442.516 3.738 0 40 IHAB COc1ccc(OC)c(CC[C@@H](C)Nc2cc(-c3c4c(nn3C)CCCC4)nc(N)n2)c1 257333049 XZWSHMAQUQKOJK-OAHLLOKOSA-N 436.560 3.789 0 40 IHAB NC(=O)COc1ccc(Br)cc1[C@@H]1SCC(=O)N1c1ccc(Cl)cc1 408560252 YDANQJNPMNQDDQ-KRWDZBQOSA-N 441.734 3.745 0 40 IHAB CC(C)(C)SCCNC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O 408920839 PCAXMEWCJWXCLW-UHFFFAOYSA-N 446.944 3.773 0 40 IHAB COc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccc(C)cc3)[C@H]2c2ccc(Cl)cc2)cc1 409057982 QSFQBPFREVVWPL-WSBKAMHLSA-O 448.930 3.673 0 40 IHAB CCOc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3cccc(C)c3)[C@H]2c2ccc(C)cc2)cc1 409058024 RPTRZUCJEXACFA-HCOVDNQSSA-O 442.539 3.718 0 40 IHAB CC(=O)Nc1ccc(NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc1 409115928 JUQULQWNVVVCNG-UHFFFAOYSA-N 437.521 3.864 0 40 IHAB O=C(CN1C(=O)S/C(=C/c2cccc(Cl)c2)C1=O)Nc1ccc2c(c1)OCCO2 409198671 CSUYRBOHXJBAOT-RQZCQDPDSA-N 430.869 3.786 0 40 IHAB COc1cc(CN(C)C[C@@H](O)COC2CCCCC2)ccc1OCCN1CCC(C)CC1 585272034 FDHKPGIUVFSCJB-HSZRJFAPSA-N 448.648 3.948 0 40 IHAB CC(C)CCN[C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(-c2cccc(C(F)(F)F)c2)n1 604382215 LBFZXJOVGHKHTR-XRXFAXGQSA-N 437.506 3.699 0 40 IHAB biogenic,in-vitro COc1ccc(CN2CCN(c3nc4c(F)cc(F)cc4s3)CC2)c(OC)c1OC 2087096663 GHVWTRHYVZHFGG-UHFFFAOYSA-N 435.496 3.923 0 40 IHAB CCn1c(CCNC(=O)c2cccs2)nnc1SCC(=O)Nc1cccc(Cl)c1 633890 DSETWEFITYEAQT-UHFFFAOYSA-N 449.989 3.716 0 40 IHAB CCN1C(=O)c2ccccc2N(CC(=O)OC)[P@@]1(=O)C(=S)Nc1ccc(OC)cc1 642794 JLSWSRMTWYYCFY-GDLZYMKVSA-N 447.453 3.740 0 40 IHAB C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(F)cc3)o2)cc1 2456867 WHQABGONZMDYLC-AWEZNQCLSA-N 444.488 3.691 0 40 IHAB COc1ccccc1NC(=O)COC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1C)C2=O 3322494 ZZXWGZOYPGWTBU-UHFFFAOYSA-N 444.443 3.600 0 40 IHAB Cc1ccc(C)c(-n2nnnc2SCC(=O)c2cc(C)n(C[C@@H]3CCCO3)c2C)c1 3348452 ZYPOKFFSNRIWBE-SFHVURJKSA-N 425.558 3.851 0 40 IHAB O=C(Nc1cccc(S(=O)(=O)NCCc2c[nH]c3ccccc23)c1)Nc1nccs1 3989251 NYYVMDXWTXBRNW-UHFFFAOYSA-N 441.538 3.789 0 40 IHAB investigational CC[C@H](OC(=O)[C@H]1CC(=O)N(c2ccc(C(=O)OC(C)C)cc2)C1)C(=O)c1ccccc1 8383791 KZYPVTMXUKTQFQ-FPOVZHCZSA-N 437.492 3.809 0 40 IHAB CSCC[C@@H](NC(=O)[C@H](C)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)O 8740216 GOJXFELDYVOARB-IFXJQAMLSA-N 441.505 3.550 0 40 IHAB biogenic Cn1nnnc1SCC(=O)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 9056765 ZJHCJZRJWYHMQT-UHFFFAOYSA-N 440.529 3.798 0 40 IHAB CCCn1cc(S(=O)(=O)c2ccc(OC)cc2)c(=O)c2cc(F)c(N3CCCC3)cc21 9119296 KJRWNUSIAPXXHT-UHFFFAOYSA-N 444.528 3.992 0 40 IHAB O=C(COC(=O)CSc1ccc2ccccc2c1Br)NC[C@H]1CCCO1 9138308 HGLCSXZDCWAWCW-CQSZACIVSA-N 438.343 3.533 0 40 IHAB CC(=O)c1c(C)[nH]c(C(=O)CSc2ccc(S(=O)(=O)N3CCCCCC3)cn2)c1C 9207573 XBIUJRXVKVFOJM-UHFFFAOYSA-N 449.598 3.769 0 40 IHAB COC(=O)c1ccc([C@@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2C)cc1 9346096 IDZKNPOMXRYZNC-MRXNPFEDSA-N 428.238 3.517 0 40 IHAB Cc1c(OCC(=O)NCCc2c[nH]c3ccc(F)cc23)ccc2c3c(c(=O)oc12)CCC3 9409719 WWUOTEGIJWDXLA-UHFFFAOYSA-N 434.467 3.948 0 40 IHAB COc1cc(OC)c2c(C)c(CC(=O)NCCc3c[nH]c4ccc(F)cc34)c(=O)oc2c1 9435872 STKSRZXGSXMKFX-UHFFFAOYSA-N 438.455 3.640 0 40 IHAB CCOc1ccc(-c2nnc(S[C@H](C(=O)N3CCOCC3)c3ccccc3)o2)cc1 9478681 NPNCMHSQOVGJJN-IBGZPJMESA-N 425.510 3.828 0 40 IHAB CCOc1ccccc1NC(=O)Cc1csc(NC(=O)c2ccc3c(c2)OCO3)n1 9659289 BAJAEEKLVAESSK-UHFFFAOYSA-N 425.466 3.704 0 40 IHAB C[C@H](NC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(F)c(F)c1 9801066 OHPKZKDJFKGDHO-HNNXBMFYSA-N 437.512 3.700 0 40 IHAB O=C(N[C@@H]1CCSc2ccc(F)cc21)C1CCN(S(=O)(=O)c2cccs2)CC1 10964786 BTYXPXKNKYRBIU-MRXNPFEDSA-N 440.587 3.641 0 40 IHAB COc1ccc(C(=O)N[C@@H](C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)C(C)C)cc1 11140508 JHMJXACVWCXVBV-OAQYLSRUSA-N 443.931 3.869 0 40 IHAB CCCCOc1ccc(C(=O)N2CCC3(CC2)NC(=O)N(CCc2ccccc2)C3=O)cc1 11694126 ARDPJSLAQRFTGU-UHFFFAOYSA-N 449.551 3.635 0 40 IHAB C[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)[C@@H]1CCCO1 12521276 VLWSNLHDWWXUCK-ACJLOTCBSA-N 442.459 3.804 0 40 IHAB Cc1ccc(C(C)C)cc1OCC(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 12552600 PAHKSGYCCHNWTM-SFHVURJKSA-N 437.540 3.720 0 40 IHAB CCOc1ccc(CN(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)cc1 12731483 AWATYRUUMLOAAV-IBGZPJMESA-N 435.446 3.823 0 40 IHAB COc1ccc(OC)c(CSc2nnc(N3CCOCC3)n2-c2cccc(F)c2)c1 12743977 IOMWWUUFTXBFNW-UHFFFAOYSA-N 430.505 3.553 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2c(C(C)C)cccc2C(C)C)c1 12786051 MVOKRLGIEMTYCL-UHFFFAOYSA-N 447.601 3.764 0 40 IHAB C[C@@]1(CCc2ccc(OC(F)F)cc2)NC(=O)N(C[C@H](O)c2ccc(Cl)cc2)C1=O 12790510 IASAKCSNRYMSDT-UWJYYQICSA-N 438.858 3.918 0 40 IHAB O=C1O[C@H](CC(=O)N(Cc2ccccc2)Cc2nc3ccccc3c(=O)[nH]2)c2ccccc21 12897496 MKKNKRFHESSJMG-JOCHJYFZSA-N 439.471 3.754 0 40 IHAB O=C(CN1CCN(C(=O)CCc2ccc(F)cc2)CC1)Nc1ccccc1C(F)(F)F 12920522 KKYLZONVOCZRTN-UHFFFAOYSA-N 437.437 3.560 0 40 IHAB O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 12932636 OVIKQUDEBSYGFR-UHFFFAOYSA-N 431.423 3.703 0 40 IHAB CSc1nc(C)c(CCC(=O)Nc2cccc(I)c2)c(C)n1 12986017 SAWPEQMKVUSEQK-UHFFFAOYSA-N 427.311 3.991 0 40 IHAB Cc1ccc(-c2nnc(S)n2CC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)cc1 12998220 MHLZBAWMENGHJR-UHFFFAOYSA-N 448.017 3.602 0 40 IHAB CCC[C@@H](c1nnnn1C(C)(C)C)N(CCCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O 13499506 WMUHLPBDSZSKGO-NRFANRHFSA-N 440.592 3.612 0 40 IHAB CCOC(=O)c1cccc(NC(=O)[C@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)c1C 13668822 MYVLLORADSIEJQ-KRWDZBQOSA-N 432.542 3.582 0 40 IHAB CCOc1ccccc1CCCNC(=O)[C@@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O 13675926 ZKXGMPCOAGWCEV-LJQANCHMSA-N 432.586 3.606 0 40 IHAB COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(C(=O)C3CC3)CC2)cc1Cl 14020688 ZHUXYCYKJIOXMS-OAQYLSRUSA-N 427.932 3.583 0 40 IHAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C1(c2ccc(Cl)cc2)CCCC1 14242385 ICWKXCILXAXXOT-UHFFFAOYSA-N 448.972 3.811 0 40 IHAB CCCCn1c(N)c(N(CC(C)C)C(=O)c2ccc(-c3ccccc3)cc2)c(=O)[nH]c1=O 14670107 WVIPDSXCFPIINL-UHFFFAOYSA-N 434.540 3.889 0 40 IHAB Cc1ccc(CSCCNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)cc1 17603890 LRTVZUTVLGWQFI-UHFFFAOYSA-N 432.611 3.751 0 40 IHAB C[C@@H](Sc1nnc(N2CCCC2)n1-c1ccccc1Cl)C(=O)NCC(F)(F)F 17880577 BQQMNLLUDDOVTI-LLVKDONJSA-N 433.887 3.680 0 40 IHAB CC(=O)Oc1ccc(CN2CCC[C@@H](c3cc(N)n4nc(-c5ccco5)cc4n3)C2)cc1 19023061 TXBFYCSYVOZTJO-GOSISDBHSA-N 431.496 3.876 0 40 IHAB CC(C)C(=O)N1CCC(c2nc(O)cc([C@H]3CCCN(C(=O)C[C@@H]4C=CCC4)C3)n2)CC1 19085301 BQASSZZHMSHYAG-QUCCMNQESA-N 440.588 3.607 0 40 IHAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCCN3C(=O)c3ccn(C)c(=O)c3)cc2N1 19520627 AVLBUZQJKMFJBX-HYVNUMGLSA-N 437.466 3.647 0 40 IHAB COc1ccccc1-c1ccc(C[C@@]2(C(=O)N(C)C)CCN(C(=O)c3c[nH]nc3C)C2)cc1 19582254 OAIHIRGKLDYQFJ-SANMLTNESA-N 446.551 3.557 0 40 IHAB Cc1nc([C@@H]2CCN(C(=O)CCCc3ccccn3)C2)nc2c1CCC(=O)N2CCC(C)C 19738984 UMVYPNATRVTQKP-HXUWFJFHSA-N 449.599 3.844 0 40 IHAB COc1cc(C)ccc1CN1CCC(Cc2nn(C)cc2C(=O)NCc2ccccn2)CC1 19756672 VDICVMOEHOCJLB-UHFFFAOYSA-N 447.583 3.517 0 40 IHAB COC(=O)c1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 20061913 CYGVPSJFKUXUCE-UHFFFAOYSA-N 436.917 3.554 0 40 IHAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)cc1Br 20492484 HTCDPSPUQZPPBO-NSHDSACASA-N 430.320 3.514 0 40 IHAB CCn1c(=O)c(C)nc2cc(C(=O)NCc3ccc(COCC(F)(F)F)cc3)ccc21 21522211 YKFUMJQQKDXJFT-UHFFFAOYSA-N 433.430 3.734 0 40 IHAB O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)Nc1ccccc1Cc1ccccc1 21847629 OTPSTSGMNHGMMQ-UHFFFAOYSA-N 443.547 3.762 0 40 IHAB CCOc1ccc([C@H](CNC(=O)[C@@H](CC)c2ccccc2)N2CCOCC2)cc1OC 22785520 OWOBSSLZEZCBMU-VXKWHMMOSA-N 426.557 3.777 0 40 IHAB C[C@@H](CCc1ccccc1)NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 24612708 RRBWJEKVUTXSQC-SFHVURJKSA-N 432.561 3.505 0 40 IHAB COc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2NC(N)=Nc3nc4ccccc4n32)cc1 25386810 PPVBNRDZNHCFMM-HSZRJFAPSA-N 435.491 3.994 0 40 IHAB CNS(=O)(=O)c1cc(NC(=O)CSc2nc3ccccc3n2CC(C)C)ccc1C 27856509 DVXMUMWRGGYCQQ-UHFFFAOYSA-N 446.598 3.640 0 40 IHAB Cc1noc(-c2ccc(C(=O)NC[C@@H](c3ccccc3Cl)N3CCOCC3)cc2)n1 29807486 XZRVRADAABIAMH-FQEVSTJZSA-N 426.904 3.502 0 40 IHAB O=C(c1ccccc1OCc1cn2ccccc2n1)N1CCN(Cc2ccccc2)CC1 29893130 CNYMBUIERRZNJE-UHFFFAOYSA-N 426.520 3.871 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2csc(-c3ccsc3)n2)cc1 31580208 WIASAEGPCQPACW-UHFFFAOYSA-N 435.596 3.832 0 40 IHAB CCOc1ccc(C(=O)NC(=S)Nc2nc3ccc(NC(C)=O)cc3o2)cc1Cl 32127275 QEBUHEJPESYBFQ-UHFFFAOYSA-N 432.889 3.965 0 40 IHAB O=C([C@H](Sc1nnc(COc2ccc(Cl)cc2)o1)c1ccccc1)N1CCOCC1 32741584 DCQCWQUVHHBPMK-LJQANCHMSA-N 445.928 3.994 0 40 IHAB CC(C)CCn1c(=O)c2ccccc2n2c(SCC[S@](=O)c3ccccc3)nnc12 32931581 DECJEIKNINURNX-SSEXGKCCSA-N 440.594 3.990 0 40 IHAB COCC(=O)Nc1ccc(-c2noc([C@@H]3CCCN3Cc3cn(C)c4ccccc34)n2)cn1 35425698 ASSQSIAWMNHIHA-FQEVSTJZSA-N 446.511 3.545 0 40 IHAB biogenic,in-vitro O=C(NCCc1c[nH]c2ccccc12)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 40096774 DZINMICOOAMLKO-UHFFFAOYSA-N 426.542 3.707 0 40 IHAB O=c1c2ccccc2nc(SCCCS(=O)(=O)c2ccccc2)n1Cc1ccco1 40152418 MIYXFSUZXIGWAU-UHFFFAOYSA-N 440.546 3.994 0 40 IHAB COc1ccc(-c2nc(CN3CCN(Cn4ccc(C(F)(F)F)n4)CC3)cs2)cc1 48325197 HDOFBLLXGQDIDE-UHFFFAOYSA-N 437.491 3.809 0 40 IHAB Cc1cc(C(=O)CN(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)c(C)n1Cc1cccs1 58160824 ZMRVRXFLLKKZJM-GOSISDBHSA-N 446.594 3.680 0 40 IHAB O=C(NCCN1CCCS1(=O)=O)c1sc2cc(Cl)cc(Cl)c2c1Cl 61597783 NNOYHQHFQUWMBX-UHFFFAOYSA-N 427.762 3.627 0 40 IHAB CCOc1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(C)cc3Cl)c2C)cc1 71327393 HYKIHJYNGUZHCI-UHFFFAOYSA-N 427.892 3.838 0 40 IHAB CC(C)c1noc(CCC(=O)N[C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)n1 71851683 VWFRPBMBWWMGQV-INIZCTEOSA-N 438.450 3.624 0 40 IHAB COc1cc(C(=O)N2[C@@H](C(=O)O)COC23CCC(C(C)(C)C)CC3)cc(OC)c1OC 71980454 TXKKJUJTJWKYDE-IOXSGPKDSA-N 435.517 3.571 0 40 IHAB Cc1nn(Cn2ccc(C(=O)N[C@@H](CCN(C)C)c3ccc(Cl)cc3)n2)c(C)c1Cl 72244089 LKLHTUFDILKZPW-SFHVURJKSA-N 449.386 3.932 0 40 IHAB CCOc1ncc([C@]2(O)CC[C@H]3CN(Cc4ccc(OC)c(C)c4C)C[C@H]32)c(OCC)n1 72392653 UHNAJWAQCBBFMO-PIBDYAPNSA-N 441.572 3.629 0 40 IHAB CCn1c(SCC(=O)Nc2cccc(CN3CCC(CO)CC3)c2)nc2ccccc21 79066885 GWXZMROBSMRTAP-UHFFFAOYSA-N 438.597 3.991 0 40 IHAB O=C(c1ccccc1)[C@@H]1[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2CCCN12 95483431 FLDJJCYEBBLJOE-YRXWBPOGSA-N 428.410 3.541 0 40 IHAB Cc1nc(-n2cccc2)sc1C(=O)N1CC[C@@H](S(=O)(=O)c2ccc(Cl)cc2)C1 96371034 TYESMZBWGSYDPA-MRXNPFEDSA-N 435.958 3.584 0 40 IHAB O=C(Cc1cc2c(cc1Br)OCCO2)N[C@@H]1CCCN(c2cccc(F)c2)C1 97002124 LCZBSTINICQSCO-MRXNPFEDSA-N 449.320 3.687 0 40 IHAB Cc1ccc(F)c(N2CCC(NS(=O)(=O)c3ccccc3OC(F)(F)F)CC2)c1 97163892 JREROLLJZYQJGN-UHFFFAOYSA-N 432.439 3.980 0 40 IHAB O=C(Nc1ccc(F)cc1)C(=O)[C@H](C(=O)c1ccccc1F)[C@@H]1OC(=O)c2ccccc21 102954121 ZYJQFBBLXRBNSA-SIKLNZKXSA-N 435.382 3.883 0 40 IHAB COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1S(=O)(=O)c1c(Cl)cccc1Cl 206805795 XGCFUAFTLZWRIB-XHDPSFHLSA-N 448.299 3.516 0 40 IHAB Cc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1N1CCCCS1(=O)=O 222573946 VCVYZRHKHIJGKM-IBGZPJMESA-N 428.554 3.957 0 40 IHAB CS(=O)(=O)N(CCCC(=O)Nc1ccc(Br)cc1)c1ccc(F)c(F)c1 222675058 VDSIHLLYAMYQRY-UHFFFAOYSA-N 447.301 3.912 0 40 IHAB CSc1cccc(NC(=O)c2cnc(CN(C)S(=O)(=O)c3ccc(C)cc3)nc2)c1 223383933 DWOVDOZBKVHOPT-UHFFFAOYSA-N 442.566 3.580 0 40 IHAB CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1C(C)(C)C 223457529 ISEGMWLTUGCNKQ-NRFANRHFSA-N 426.557 3.925 0 40 IHAB CN(c1ccc(C(=O)NCCOc2cccc3ccccc23)c(Cl)c1)S(C)(=O)=O 223568974 ALOIWVBOUQXCJD-UHFFFAOYSA-N 432.929 3.698 0 40 IHAB Cc1cc(C)c(N(CC(=O)NCCOc2ccc3ccccc3c2)S(C)(=O)=O)c(C)c1 223618045 ABVMAJOHXJEVLO-UHFFFAOYSA-N 440.565 3.726 0 40 IHAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(OC)cc1 223621184 DOLORMUWCPGNPQ-JOCHJYFZSA-N 426.557 3.968 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)NCC2=CCCCC2)c2ccccc2OC)cc1 223821462 XPXJWTVXZOQBAG-UHFFFAOYSA-N 444.553 3.516 0 40 IHAB COc1cccc(OC)c1CN(C)C(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 224095077 IGVMMGLJXOTWCN-UHFFFAOYSA-N 440.521 3.777 0 40 IHAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCOc2ccc(C)cc2C)cc1 225171684 HBALZWKIWMZIIK-JWGURIENSA-N 434.492 3.871 0 40 IHAB CCc1ccc([C@@H](C)NS(=O)(=O)c2nnc(NC(=O)c3cccc(C)c3)s2)cc1 225284553 AKSYSWLBCRBDEO-CQSZACIVSA-N 430.555 3.701 0 40 IHAB CCOc1ccc(CCCNS(=O)(=O)c2cc(Br)ccc2OC)cc1 225757082 IHAICMWXZUDNHD-UHFFFAOYSA-N 428.348 3.768 0 40 IHAB O=C(CCc1nc(-c2ccc(Br)cc2)no1)N1CCN(c2ccccc2)CC1 225820335 YTOKXDGOLWVYGL-UHFFFAOYSA-N 441.329 3.781 0 40 IHAB O=C(c1cnccn1)N1CCO[C@H](c2cccc(Cc3ccccc3C(F)(F)F)n2)C1 257228423 FTUPAQSEGBRLTB-FQEVSTJZSA-N 428.414 3.695 0 40 IHAB CC1(C(=O)N2CCC[C@@H](Cc3cccnc3)C2)CCN(C(=O)Cc2ccc(F)cc2)CC1 257263154 LOQHXURZKQLYNF-QFIPXVFZSA-N 437.559 3.873 0 40 IHAB Cc1ccc(COc2c(Cl)cc(/C=C3/NC(=O)N(CC(=O)O)C3=O)cc2Cl)cc1 408595098 VPCNTNSRDWTPEM-LZYBPNLTSA-N 435.263 3.858 0 40 IHAB Cc1cccc(NC(=O)COC(=O)CCS(=O)(=O)c2cc(Cl)ccc2Cl)c1 408648398 XXRQRCOAKZURPO-UHFFFAOYSA-N 430.309 3.648 0 40 IHAB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(Br)cc3)CC2=O)c(C)c1 408658004 KMBZGLAAEXRVAN-HNNXBMFYSA-N 445.313 3.601 0 40 IHAB CCOC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2C)cc1 408702726 NYJUTMXYVIPMHD-UHFFFAOYSA-N 444.553 3.845 0 40 IHAB CCOc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3cccc(C)c3)[C@@H]2c2ccc(C)cc2)cc1 409058026 RPTRZUCJEXACFA-YZJHEVQWSA-O 442.539 3.718 0 40 IHAB CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCC(=O)Nc1ccc(C)c(C)c1 409061984 LAMHNXXCMFTHIP-UHFFFAOYSA-N 437.569 3.884 0 40 IHAB Cc1cccc(CN2C(=O)N/C(=C/c3cc(Cl)c(OCC(=O)O)c(Cl)c3)C2=O)c1 409255329 YTBZNNNRWMEWOB-LZYBPNLTSA-N 435.263 3.858 0 40 IHAB CC(=O)[C@@H]1[C@H](C(=O)c2ccncc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(C)ccc3N12 504319498 WXVQQCGVNGJNII-FQJHJXCSSA-N 449.510 3.952 0 40 IHAB biogenic Cn1cc([C@H]2CN(S(=O)(=O)c3ccc(Br)s3)Cc3ccccc32)cn1 575618846 JGAXSRXRNDYOII-OAHLLOKOSA-N 438.372 3.581 0 40 IHAB CCN(CC)CCCNC(=S)N1CCO[C@@H](c2cccc(Nc3ncc(C)s3)n2)C1 2037836231 VRUYBRLZQKYAMS-GOSISDBHSA-N 448.662 3.570 0 40 IHAB CCn1cc(NC(=O)CN2CCC[C@@](O)(COc3cc(C)c(Cl)c(C)c3)CC2)c(C)n1 2037912759 YXKDYSRPZHWJCD-QHCPKHFHSA-N 448.995 3.716 0 40 IHAB C[C@H]1CC[C@H](C(=O)N2CCO[C@@]3(C2)C(=O)N(Cc2cccnc2)C[C@H]3c2ccccc2)CC1 2055793410 ZAUHGGYERGYKFO-VETGKBFTSA-N 447.579 3.632 0 40 IHAB O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1ccccc1N1CCOCC1 933074 MWWUWGBTUSAIEA-UHFFFAOYSA-N 426.567 3.747 0 40 IHAB O=C(CSc1nnc(-c2ccccn2)n1Cc1ccccc1)Nc1ccc2c(c1)OCO2 1362447 BAFNKJVFRWCKTC-UHFFFAOYSA-N 445.504 3.848 0 40 IHAB COc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(OC(C)=O)(c4ccccc43)[C@@H]2C1=O 1639512 WGLJYSRWLJTYLN-ZCOIRKDISA-N 439.467 3.767 0 40 IHAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)n1 2380712 YMMJRKCAGXVGCG-UHFFFAOYSA-N 436.415 3.857 0 40 IHAB CCn1cc(-c2ccnc(SCC(=O)N[C@H](C)c3cc(OC)ccc3OC)n2)c(C)n1 2730918 CQKQEYNOFDUXDS-CQSZACIVSA-N 441.557 3.655 0 40 IHAB COc1ccc(OC)c(/C=C/C(=O)OCC(=O)Nc2ccc(OC(F)(F)F)cc2)c1 3267265 QRJLJPWGKFFAPF-XCVCLJGOSA-N 425.359 3.798 0 40 IHAB COc1cc(C(=O)OCC(=O)N[C@@H]2CCCC[C@@H]2C)ccc1OCc1c(C)noc1C 3418398 UUTUZYYWGDENPR-IFXJQAMLSA-N 430.501 3.731 0 40 IHAB CCCCCC(=O)Nc1nc2c(s1)C[C@H]1[C@@](C)(CC[C@@H](O)[C@@]1(C)CO)[C@@H]2CC(=O)O 4237050 KMDUJKQTNFYTKU-YVVVUQMQSA-N 438.590 3.552 0 40 IHAB biogenic,in-vitro CCCCNC(=S)N(Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 6149822 FRRJGQOVSIVGKP-UHFFFAOYSA-N 429.567 3.995 0 40 IHAB O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)c1ccc(OC(=O)c2ccccc2)cc1 8410911 SKSAZMCSJQUVGP-UHFFFAOYSA-N 427.412 3.787 0 40 IHAB COC(=O)C1=C(C)N=c2s/c(=C/c3cccc4ccccc34)c(=O)n2[C@H]1c1ccccc1 8425828 GKIVQYRQZVDMQG-QFVBLGFASA-N 440.524 3.561 0 40 IHAB NC(=O)NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)n1C[C@H]1CCCO1 8666632 ODSJXDFQOLUBFT-GOSISDBHSA-N 436.537 3.683 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1cc(Cl)c2c(c1)OCO2 8755457 MDDIMQFEWGMXAU-UHFFFAOYSA-N 436.917 3.886 0 40 IHAB CC(=O)Nc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)c(F)c2)c1 8810925 SSDPLVJUVVXSKR-UHFFFAOYSA-N 445.447 3.976 0 40 IHAB CC[C@H](Sc1nnc(CC(=O)Nc2ccccc2)n1C)C(=O)Nc1ccccc1F 9095890 WLJNQTQBJDPFSR-KRWDZBQOSA-N 427.505 3.645 0 40 IHAB CCCOc1ccc(C(=O)CCC(=O)OCc2cc(=O)n3cc(Cl)ccc3n2)cc1 9588972 QTWBWKSEDNYEIO-UHFFFAOYSA-N 428.872 3.843 0 40 IHAB Cc1cc(C)cc(-n2c(SCC(=O)NCc3ccccc3)nc3c(c2=O)SCC3)c1 9602786 JTYOZULXVDTLSP-UHFFFAOYSA-N 437.590 3.906 0 40 IHAB Cc1cc(=O)oc2cc(OCC(=O)OCC(=O)N3CCC(Cc4ccccc4)CC3)ccc12 9612768 BBJQGMUFBPNWIM-UHFFFAOYSA-N 449.503 3.505 0 40 IHAB COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)c1 9662890 FYGANZNGKJHQAF-UHFFFAOYSA-N 441.509 3.896 0 40 IHAB O=C(Nc1cccc(F)c1)c1cn(C[C@@H]2CCCO2)cc2c(=O)n(-c3ccccc3)nc1-2 9663616 VPGZFNXCQNDSRF-IBGZPJMESA-N 432.455 3.709 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)c(F)c2)c2ccccc2)cc1 9720674 OAMCYGYOVJLUPD-UHFFFAOYSA-N 432.448 3.807 0 40 IHAB Cc1nc(NC(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)c(Cl)cc1Cl 9789010 YIKQHGNFWJOZGL-OVWNDWIMSA-N 427.332 3.772 0 40 IHAB CCCCn1c(CSc2nc(-c3cccs3)n[nH]2)nc2cc(S(N)(=O)=O)ccc21 9793691 KTOBDIWJJKYUOV-UHFFFAOYSA-N 448.599 3.623 0 40 IHAB CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@H]3c3ccccc3)CC2)c1 9956710 DGOVEKYOSWXSGN-HSZRJFAPSA-N 440.565 3.654 0 40 IHAB O=C(/C=C/c1ccccc1Cl)OCC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 9963557 ZAMJZEOQOLLWBP-FMIVXFBMSA-N 433.913 3.564 0 40 IHAB COCCCn1c(C(=O)NCc2ccccc2Cl)cc2c(=O)n3cccc(C)c3nc21 12421598 UTJVRHCFQSPHRV-UHFFFAOYSA-N 438.915 3.578 0 40 IHAB O=S(=O)(N[C@@H](CN1CCOCC1)c1ccccc1)c1ccc(Cl)c(C(F)(F)F)c1 12761565 RHGUBPPZAYQMGW-SFHVURJKSA-N 448.894 3.711 0 40 IHAB CC[C@H](NC(=O)Cn1nc(-c2ccc(F)cc2)oc1=O)c1ccc(Br)cc1 12762515 QRLQTRCLKDVKKS-INIZCTEOSA-N 434.265 3.672 0 40 IHAB Cc1ccc(CNC(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1 12782871 JRDHZEQHJNKQSP-WIYYLYMNSA-N 439.556 3.858 0 40 IHAB Cc1ccccc1-n1c(SCC(=O)NC[C@@H]2CCCO2)nc2sc(C)c(C)c2c1=O 12979079 YNOJIANCKUYCEZ-INIZCTEOSA-N 443.594 3.760 0 40 IHAB CC[C@H](C)c1ccccc1N1C[C@H](C(=O)N(C)CC(=O)Nc2cccc(F)c2)CC1=O 13009311 BDLKAVKORHZDKA-DLBZAZTESA-N 425.504 3.789 0 40 IHAB Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)COc2ccc(Cl)cc2)c1C 13039652 BLZRHIKQZWQZAV-HXUWFJFHSA-N 430.932 3.982 0 40 IHAB C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)OCc1ccc(Br)cc1)C2=O 13102065 DAMMLSAOMKIECX-XCLFUZPHSA-N 437.334 3.629 0 40 IHAB CCC[C@@H](c1nnnn1C1CCCC1)N(CCCO)Cc1cc2cccc(C)c2[nH]c1=O 13501009 ATQMEYNULXIYPX-NRFANRHFSA-N 438.576 3.664 0 40 IHAB Cc1ccc(C(=O)CCC(=O)NN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)s1 14066363 FDTYQGGPXSAXLW-UHFFFAOYSA-N 447.516 3.546 0 40 IHAB Cc1ccccc1CN1CCN(C(=O)CCn2c(-c3cccs3)n[nH]c2=S)CC1 14245503 LBLGUFAWMRHUDN-UHFFFAOYSA-N 427.599 3.712 0 40 IHAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)COc1ccc(-n2cnnn2)cc1 14352275 NAOCKEBQGBSMLE-UHFFFAOYSA-N 449.492 3.585 0 40 IHAB CC(C)=CC(=O)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 15386094 RDBWUXAEXFDYIW-UHFFFAOYSA-N 444.397 3.523 0 40 IHAB Cc1cc(C(=O)OCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)c(C)n1Cc1ccco1 16685105 JSENGOQSZSUYQT-MRXNPFEDSA-N 435.480 3.667 0 40 IHAB COc1ccc(Br)cc1C(=O)NC(=S)Nc1nc2ccc(O)cc2s1 17101928 ZBNFSNYCWJFDSN-UHFFFAOYSA-N 438.328 3.900 0 40 IHAB CC(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2ccncc2)cc1 19022346 KAMMZGADMLMPNY-JOCHJYFZSA-N 444.539 3.930 0 40 IHAB CN1CCN(Cc2nc3ccccc3n2C)C[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O 19289947 IZTHTEXDWAZVNZ-QHCPKHFHSA-N 439.563 3.768 0 40 IHAB COc1cccc(CC(=O)N2CCNC(=O)[C@H](Cc3ccccc3-c3cccs3)C2)c1 19564391 DKLJQRQUPKVJPW-HXUWFJFHSA-N 434.561 3.784 0 40 IHAB CCn1cncc1C(=O)N1CC[C@](Cc2cccc(-c3cccnc3)c2)(C(=O)NC(C)C)C1 19578355 XUJLKPDJWVOONW-AREMUKBSSA-N 445.567 3.565 0 40 IHAB CNC(=O)[C@@]1(Cc2ccccc2-c2ccc(F)cc2)CN(C(=O)c2ccccc2)CCO1 19591860 KQFZMBQQTNSWND-AREMUKBSSA-N 432.495 3.693 0 40 IHAB CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CCN(CC(=O)Nc2ccc(F)cc2)C1 19702100 JIQXXUNZFMRQCJ-CQSZACIVSA-N 426.517 3.565 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ncc(C(=O)N3CCCCC3)c(C)n2)cc1C 19756107 OXWFKQVOSWHZAN-OAQYLSRUSA-N 442.585 3.554 0 40 IHAB CCNC(=O)N[C@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NCc3ccc(F)cc3)[C@H](O)[C@H]2[C@@H]1C 20467302 RICZWJRTJRILCB-JCVUJBFDSA-N 447.595 3.589 0 40 IHAB biogenic,in-vitro COc1ccc([C@H](C)NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCC(C)CC3)c2)cc1 20482732 KEKHPGPUGZPFDQ-KRWDZBQOSA-N 446.569 3.615 0 40 IHAB CCCCN1C(=O)[C@H](C(=O)OCC)[C@@H](c2ccc(O)c(OC)c2)n2c1nc1ccccc12 20675307 WFXBVQPFNPKRNQ-NHCUHLMSSA-N 437.496 3.666 0 40 IHAB COc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)N2CCc3ccccc3C2)cc1F 22767493 ZIHLYGQBHAAIMR-OAQYLSRUSA-N 446.569 3.974 0 40 IHAB O=C(NCCSCc1ccsc1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 23956279 JWHFBMIANXFGQC-UHFFFAOYSA-N 443.571 3.789 0 40 IHAB Cc1sc2nc(CN3CCOCC3)nc(NC[C@H](c3ccco3)N3CCCC3)c2c1C 23990920 YZMNSQHJQOGTOD-GOSISDBHSA-N 441.601 3.982 0 40 IHAB Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)N[C@@H](c3cccc(F)c3)c3nccn3C)c12 25053375 WPGFNPZBIZVITP-NRFANRHFSA-N 444.470 3.929 0 40 IHAB Cc1c(-c2ccccc2)sc2ncn(CC(=O)Nc3cccc(C(=O)N(C)C)c3)c(=O)c12 26639445 MMMBCWCGTSLVMN-UHFFFAOYSA-N 446.532 3.774 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cc(-c2cccs2)on1 27991837 OEXRQNGKOBLTGX-UHFFFAOYSA-N 432.508 3.913 0 40 IHAB CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCC(c2nnc3ccccn23)CC1 28736151 IUYDDUJVJXADFR-FQEVSTJZSA-N 439.947 3.543 0 40 IHAB O=C(c1cc(Cl)c2c(c1)OCO2)N1CCC(C(=O)N2CCc3ccccc3C2)CC1 31190113 FDBXVYWUXAPVQH-UHFFFAOYSA-N 426.900 3.506 0 40 IHAB CC[C@H](C)NC(=O)CCn1c(=O)c2ccccc2n2c(SCc3ccccc3)nnc12 33292046 YONVBBMKVQUUKC-INIZCTEOSA-N 435.553 3.641 0 40 IHAB O=C(Cc1ccccc1)NN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S 35040630 WNWCTDQAGANBGR-XNTDXEJSSA-N 433.352 3.924 0 40 IHAB CN1CCC2(CC1)N=C(SCC(=O)Nc1ccc(F)cc1)C(c1ccc(F)cc1)=N2 35372690 UTBVEFMAFTVFCR-UHFFFAOYSA-N 428.508 3.960 0 40 IHAB COc1ccc(CNC(=O)c2nnn(-c3ccc(Cl)cc3)c2-c2cccnc2)c(OC)c1 38487502 QVXBSJXCZVHKGG-UHFFFAOYSA-N 449.898 3.930 0 40 IHAB CC[C@H](NC(=O)C1CCN(Cc2ccc(C)cc2)CC1)c1ccc(S(C)(=O)=O)cc1 44856975 HHACRKPUAAZAHP-QHCPKHFHSA-N 428.598 3.878 0 40 IHAB CC(C)Oc1ccc(NC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1Cl 48374554 HHEBJEGXECQCFQ-UHFFFAOYSA-N 425.938 3.699 0 40 IHAB Cc1nnnn1-c1ccc(F)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1 60376667 WKWDLDBEHIPQKO-UHFFFAOYSA-N 435.790 3.583 0 40 IHAB Cc1cc2nc(SCC(=O)NCc3ccc(F)cc3F)n(-c3ccccc3)c(=O)c2[nH]1 67236917 VBBXPMFLMNREPI-UHFFFAOYSA-N 440.475 3.709 0 40 IHAB CC[C@@H](C)NC(=O)CN1CCC(Oc2ncnc3c2c(C)c(C)n3C2CCCC2)CC1 72336028 SWRMGITZLXRZBG-MRXNPFEDSA-N 427.593 3.921 0 40 IHAB Cc1cccnc1Nc1nccc([C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)n1 72377713 KQWCQAFEGSKKHF-INIZCTEOSA-N 427.505 3.631 0 40 IHAB Cc1cc(S(=O)(=O)NCC2CCN(C(=O)c3ccoc3)CC2)c(Cl)cc1Cl 77099738 CFBYYRMDQKWWRU-UHFFFAOYSA-N 431.341 3.726 0 40 IHAB CN(CC1CCN(C[C@@H](O)c2ccccc2)CC1)C(=O)Cc1ccc(Br)cc1 79026028 MOCNJUPTLZQSJA-JOCHJYFZSA-N 445.401 3.896 0 40 IHAB Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cc(Cl)ccc1Cl)C1=C(O)c3ccccc3C1=N2 100415261 RYHHLDNNRPQMFE-HNNXBMFYSA-N 440.286 3.940 0 40 IHAB CCc1ccc(CN(Cc2cccnc2)C(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 103414082 KJRMECBDBVHDDI-ZRZAMGCNSA-N 433.552 3.738 0 40 IHAB Cn1/c(=N\C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)sc2cc(Cl)ccc21 105836662 XZTFCOZNQIHDEV-LSDHQDQOSA-N 449.985 3.809 0 40 IHAB CCOc1ccc(S(=O)(=O)NCc2ccc([C@@H](O)c3ccsc3)s2)cc1F 207967384 JGDVBKVSQFANKQ-SFHVURJKSA-N 427.544 3.908 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)N(C)C2CCCCC2)c2ccc(C)cc2)cc1 216395307 WWDXFDKPMLCHPI-UHFFFAOYSA-N 430.570 3.990 0 40 IHAB CC[C@H](C(=O)Nc1cccc(Br)c1)N(c1cccc(C)c1)S(C)(=O)=O 220495241 AVQGJVUNADRRTD-QGZVFWFLSA-N 425.348 3.941 0 40 IHAB CC[C@H](C(=O)NCc1cccc(OC(C)C)c1)N(c1cc(C)ccc1C)S(C)(=O)=O 220547071 UZYAWVIPYLBBIF-OAQYLSRUSA-N 432.586 3.952 0 40 IHAB CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1cc(C)c(Br)c(C)c1 222384548 QQTIKRLRTXIJSK-KRWDZBQOSA-N 447.373 3.916 0 40 IHAB Cc1cc(C(=O)NCCSCc2c(F)cccc2Cl)ccc1N(C)S(C)(=O)=O 222473676 JTYXHGHDNDYREL-UHFFFAOYSA-N 444.981 3.847 0 40 IHAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1cccc(N2CCCCS2(=O)=O)c1 222562020 XCVZFQKAZJRHTF-FQEVSTJZSA-N 428.554 3.957 0 40 IHAB CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)COc1ccccc1OC 222562457 YAVHHHFFJBTUGZ-FPOVZHCZSA-N 426.557 3.839 0 40 IHAB CC[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)N(c1cccc(OC)c1)S(C)(=O)=O 222986951 GRXDGJIKSLZFAZ-GAJHUEQPSA-N 444.597 3.996 0 40 IHAB COc1cccc(N(CC(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)S(C)(=O)=O)c1 223286108 VAYSGTAZYKSAJB-KRWDZBQOSA-N 448.585 3.779 0 40 IHAB CCOC(=O)c1cccc(NS(=O)(=O)c2ccc(SC)c(C(=O)N3CCCC3)c2)c1 223790859 HVBMZBDECSLJJJ-UHFFFAOYSA-N 448.566 3.622 0 40 IHAB Cc1ccc(-c2nnc(NC(=O)[C@H](C)N(c3cccc(C)c3)S(C)(=O)=O)s2)cc1 224410908 QDCCIPQZSWZRHE-HNNXBMFYSA-N 430.555 3.615 0 40 IHAB O=C(COc1ccc2c(c1)CCCC2)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 225594928 MOVKTQUZEMGZCF-UHFFFAOYSA-N 428.554 3.758 0 40 IHAB CCOC(=O)c1ccc(C)c(NC(=S)NCc2ccccc2CN2CCCC2=O)c1 225652572 PXTJGLMBAYXRIP-UHFFFAOYSA-N 425.554 3.781 0 40 IHAB C[C@@H]1Cc2ccccc2N1C(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccccc1 225996925 VWYOXLLHCDEJNO-HXUWFJFHSA-N 434.561 3.898 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)c3ccc(C)c(C)c3)CC2)cc1C 226080933 OXWFVZLAHXSBAM-UHFFFAOYSA-N 430.570 3.684 0 40 IHAB COc1ccccc1N(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)C(=O)c1ccccc1C 226399898 HZMFNTWEHUTWIU-PBSDQKDISA-N 442.515 3.661 0 40 IHAB CCCC[C@]1(C(=O)OC)N[C@H](c2ccc(C)cc2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 245230557 ULJQRIQFIWZTKL-SRCYTUNASA-N 434.536 3.856 0 40 IHAB O=C(O)CN(Cc1cccc(Cl)c1)C(=O)[C@H]1CC[C@H](O)[C@@H](Nc2ccc(F)cc2)CC1 257265030 LWZDPMAFHFHAJT-CZAAIQMYSA-N 448.922 3.924 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](C)c3ccc(Cl)cc3)C2)cc1 260613126 CTCMFFKFAQANFP-WBVHZDCISA-N 436.961 3.627 0 40 IHAB CCn1cc(CN2CCN(C)[C@H](c3cn4c(-c5ccc(OC)cc5)cccc4n3)C2)cn1 306129977 ITALXINRVPEIJK-DEOSSOPVSA-N 430.556 3.715 0 40 IHAB CC(C)COC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(F)cc2)cc1 408665947 QXVAAMWUYYWPFI-UHFFFAOYSA-N 444.459 3.539 0 40 IHAB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1)Nc1cccc(Cl)c1 408672689 ZLCRTIPMTZPMDX-RTBURBONSA-N 440.883 3.815 0 40 IHAB C[C@@]1(O)CCN(Cc2ccncc2)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccc(F)cc1 514288782 BONIRQFXSVYYFY-QNWVGRARSA-N 425.529 3.779 0 40 IHAB biogenic,in-vitro COc1cc2c(cc1OC)CC(=O)N(CCC(=O)N1CCc3c([nH]c4ccccc34)C1)C=C2 524732046 UZBADICNVVIJFL-UHFFFAOYSA-N 445.519 3.516 0 40 IHAB biogenic O=C(CN1CC[C@@]12CCCN(C(=O)c1ccc(Oc3ccccc3)cc1)C2)N1CCCC1 585101776 FWSNALBNYUAPFC-AREMUKBSSA-N 433.552 3.782 0 40 IHAB CCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(OCc2ccc(F)cc2)c(OC)c1 724942 ISBSHOKNWSDNGA-OAQYLSRUSA-N 438.459 3.857 0 40 IHAB CCC(C)(C)n1nnnc1CN(Cc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O 927502 LBVWANDMEYHGJU-UHFFFAOYSA-N 446.555 3.871 0 40 IHAB CCOC(=O)CSc1nc2nc3c(cc2c(=O)n1-c1ccccc1)CO[C@](C)(CC)C3 2290543 JYNWTZOBUVNFLJ-HSZRJFAPSA-N 439.537 3.677 0 40 IHAB O=C([C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1)N1CCN(c2ccccc2)CC1 2620820 NBYNBFGLAFTBPG-VWLOTQADSA-N 425.532 3.603 0 40 IHAB Cc1cc2oc(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)c(C)c2cc1C 2704493 PGADEZSTCFXARR-UHFFFAOYSA-N 428.510 3.631 0 40 IHAB O=C(Nc1ncn(Cc2ccc(F)cc2)n1)c1cnn2c(C(F)F)cc(C3CC3)nc12 2781980 DCTRZVPUMAPEEU-UHFFFAOYSA-N 427.390 3.576 0 40 IHAB CCOC(=O)c1c(NC(=O)c2cccc(COCC(F)(F)F)c2)sc(C(N)=O)c1C 2805078 QGMHNLANWMAUQR-UHFFFAOYSA-N 444.431 3.663 0 40 IHAB CCOC(=O)c1c(NC(=O)COC(=O)c2cccnc2Cl)sc2c1CC[C@H](C)C2 3309597 NNBBVOAMJFMYOR-NSHDSACASA-N 436.917 3.894 0 40 IHAB Cc1ccc(NC(=O)COc2ccccc2/C=c2\sc3nc4ccccc4n3c2=O)cc1 8426068 GWXNAFNHKGELQW-HMAPJEAMSA-N 441.512 3.783 0 40 IHAB Cc1cc(C)c(NC(=O)CNC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)c(C)c1 8862515 PATYYKAKIRGABY-HXUWFJFHSA-N 429.520 3.873 0 40 IHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1c2c(nn1-c1ccccc1)CS(=O)(=O)C2 8910099 MKPPTMZMLCQHCA-UHFFFAOYSA-N 445.928 3.750 0 40 IHAB COc1ccccc1[C@H](Nc1ncnc2c1cnn2-c1ccc(F)cc1)c1nccn1C 9219791 GLIJFOGCKMJNEP-FQEVSTJZSA-N 429.459 3.898 0 40 IHAB O=C(Cn1cnc2c(oc3ccccc32)c1=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 9487452 FKNCBQRGXTWTNE-SFHVURJKSA-N 445.475 3.668 0 40 IHAB CC(=O)N1CCN(C(=O)CSc2nc3cc(Cl)ccc3n2Cc2ccccc2)CC1 9508509 ALJKRCKREQEGSL-UHFFFAOYSA-N 442.972 3.521 0 40 IHAB CC(C)(C)C(=O)Nc1ccc(C(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)cc1 9646642 CXKZLRZZVMSKMT-VWLOTQADSA-N 433.508 3.638 0 40 IHAB O=C(CSc1ccc(-c2ccc(-n3ccnc3)cc2)nn1)Nc1ccc2c(c1)OCO2 9712890 HIMHNHXIWMUNKZ-UHFFFAOYSA-N 431.477 3.789 0 40 IHAB COCCCNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3 9805754 OTWCQWWKPHNRNU-UHFFFAOYSA-N 443.594 3.571 0 40 IHAB COc1cc(CN(C)C(=O)c2cccc(S(C)(=O)=O)c2)ccc1OCc1ccccc1 9813270 NSLZECLBPZMXTF-UHFFFAOYSA-N 439.533 3.950 0 40 IHAB O=C(NC[C@@H](c1ccco1)N1CCCC1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 10030613 OHJQYKSUYUVEEP-ICSRJNTNSA-N 429.948 3.739 0 40 IHAB CCCn1c(SCc2ccccc2OC(F)F)nc2cc(S(N)(=O)=O)ccc21 10643815 PMHYLKZKIYDAEZ-UHFFFAOYSA-N 427.498 3.987 0 40 IHAB CCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(N4CCCC4=O)c(Cl)c3)CC2=O)cc1 11141027 CYYUYMRVDXHXFB-HNNXBMFYSA-N 441.915 3.857 0 40 IHAB COCCn1c(SCC(=O)N(C)CCOc2ccc(Cl)cc2)nc2ccccc21 11490119 FYDTUFZMVIYCOO-UHFFFAOYSA-N 433.961 3.966 0 40 IHAB Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)O[C@H](C)C(=O)NCc1cccs1 12019021 LEIKDBXBXATMST-CYBMUJFWSA-N 435.908 3.956 0 40 IHAB O=C(NCCc1c[nH]c2ccccc12)c1cc(N2CCCCS2(=O)=O)ccc1Cl 12195511 CXCILSKABUQSJZ-UHFFFAOYSA-N 431.945 3.724 0 40 IHAB Cc1cc(C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)c4ccc5c(c4)OCO5)C3)cc2n1 12257635 LRRMYXGFAKSWFK-CQSZACIVSA-N 432.402 3.805 0 40 IHAB O=C(Nc1ccccc1)c1c(F)c(F)c2c(c1F)N(Cc1ccco1)CCS2(=O)=O 12325004 MUZLRNMFIAAROM-UHFFFAOYSA-N 436.411 3.743 0 40 IHAB O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1ccc(NC(=O)c2cccs2)cc1 12776442 YERBNVOVEGRSRH-SFHVURJKSA-N 441.578 3.865 0 40 IHAB C[C@H]1CC[C@@H](c2cccn2C)N(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)CC1 12803724 VQBACKJNZSQYMZ-YWZLYKJASA-N 437.993 3.932 0 40 IHAB Cc1cc(N2CCN(S(=O)(=O)c3cc(Cl)cc(Cl)c3)CC2)nc(C(C)C)n1 12805747 LMTJSZZTMKTION-UHFFFAOYSA-N 429.373 3.726 0 40 IHAB O=S(=O)(NC1CCCC1)c1ccc(NCc2ccc(CN3CCCCC3)cc2)nc1 12817413 MJCMTCDRZFBPQT-UHFFFAOYSA-N 428.602 3.901 0 40 IHAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1cccc(-n3cnnn3)c1)CC2 13026889 SQAJYPUQJXXKKP-QFIPXVFZSA-N 447.520 3.529 0 40 IHAB COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3C(C)C)n2N)c(OC)c1 13060171 WAJKHIDJEULDDH-UHFFFAOYSA-N 427.530 3.530 0 40 IHAB CCCCC(=O)N1CCC(c2nc(O)c3nnn(Cc4ccccc4Cl)c3n2)CC1 13083184 BLMZHAXJFWJSCW-UHFFFAOYSA-N 428.924 3.525 0 40 IHAB COCCn1c(C)cc(C(=O)CSc2nnc(-c3ccc(OC)cc3OC)o2)c1C 13112665 DPIPHRIJGVSYGA-UHFFFAOYSA-N 431.514 3.794 0 40 IHAB O=C(CSc1nnnn1C1CCCC1)N1CCC[C@@H](c2nc3ccccc3s2)C1 13114697 JGJXTPGMVVCIBF-CQSZACIVSA-N 428.587 3.896 0 40 IHAB Cc1cccc(S(=O)(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)Cc2ccco2)c1 13115990 GLKMTSXFGDXAEK-QHCPKHFHSA-N 438.549 3.973 0 40 IHAB COc1cc(C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C2CCCC2)cc(OC)c1OC 13511304 FJEMLTDIQRUJAX-UHFFFAOYSA-N 437.496 3.534 0 40 IHAB COc1cccc(NC(=O)Cn2c3ccc(F)cc3c3nc4n(c(=O)c32)CCCS4)c1 13591658 NJPCHBRPABCIMN-UHFFFAOYSA-N 438.484 3.633 0 40 IHAB O=c1cc(CSc2ccccn2)nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)[nH]1 13611747 UWANUUKOBKHQQA-UHFFFAOYSA-N 447.486 3.803 0 40 IHAB Cc1ccc(C)c(OC[C@H](O)CSc2nc3sc4c(c3c(=O)n2C)CCC4)c1C 14251382 WYJPLNGKDZNJIF-HNNXBMFYSA-N 430.595 3.941 0 40 IHAB COc1ccc(NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1 14357038 LEQKGTYHTIQADD-UHFFFAOYSA-N 440.521 3.846 0 40 IHAB O=C(CCC1CCCC1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 15316302 AGFIFGKFNIBKPM-UHFFFAOYSA-N 449.617 3.607 0 40 IHAB CCCS(=O)(=O)N1CCCc2ccc(NC(=O)c3cc4ccccc4oc3=O)cc21 15781316 OGCWEZYZTQOMKL-UHFFFAOYSA-N 426.494 3.538 0 40 IHAB COc1ccc(N2C(=O)[C@@H]3[C@H]4c5ccccc5C=CN4[C@H](C(=O)C(C)(C)C)[C@@H]3C2=O)cc1 16038901 RBXHDMQFILOTPL-CBPXPLCBSA-N 430.504 3.826 0 40 IHAB CCOC(=O)[C@@H]1CCCN([C@@H](c2ccc(CC)cc2)c2sc3nc(CC)nn3c2O)C1 16690072 WRSLWJOBTJUQPZ-MJGOQNOKSA-N 442.585 3.986 0 40 IHAB CCOc1ccc(NC(=O)CSc2nnc(Cc3ccccc3Cl)c(O)n2)cc1 16777172 ROKBVUCPLSYAKU-UHFFFAOYSA-N 430.917 3.951 0 40 IHAB Cc1cc(SCC(=O)N2CCN(C(=O)c3ccco3)CC2)c(C)cc1Br 17154192 DYQDVMIKHUUDTG-UHFFFAOYSA-N 437.359 3.736 0 40 IHAB Cc1ccc(-c2ccccc2C[C@@H]2CN(C(=O)C[C@H]3CC(C)(C)OC3=O)CCNC2=O)cc1 19212847 XEGYMTFNUUSXSW-FCHUYYIVSA-N 448.563 3.511 0 40 IHAB O=C(NCc1ccccn1)c1cc(C2CCN(Cc3ccnc4ccccc34)CC2)no1 19376069 PIZLXGVKEBCXPE-UHFFFAOYSA-N 427.508 3.927 0 40 IHAB COc1cccc(CC(=O)N2CC[C@@](Cc3cccc(-c4cccs4)c3)(C(N)=O)C2)c1 19564001 CQHBXZQJZKLTBC-VWLOTQADSA-N 434.561 3.913 0 40 IHAB CNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CCN(Cc2cccc(OC)c2OC)C1 19591730 UKMGPWCRGXDXRV-HHHXNRCGSA-N 445.563 3.947 0 40 IHAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 19597021 QKNZYNUXHZUADG-UHFFFAOYSA-N 449.576 3.741 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(-c2ccccc2F)o1 19603449 DXJCREDSDBCLSG-UHFFFAOYSA-N 444.484 3.667 0 40 IHAB CC1=NN(CCC(=O)N2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2ccc(F)cc2)CC1 19694348 RVHFKBULVQBXLY-OAQYLSRUSA-N 438.551 3.874 0 40 IHAB C[C@@H]1CCCN(CCC(=O)N2CCC(c3ccc(C(=O)NC4CCCC4)cn3)CC2)C1 19705865 OMANCUDKWVIMDX-LJQANCHMSA-N 426.605 3.582 0 40 IHAB COc1ccccc1NC(=O)c1ccc(C2CCN(C(=O)[C@H]3CC=CCC3)CC2)nc1N 19765948 WAOQAHVEMVDZHJ-SFHVURJKSA-N 434.540 3.987 0 40 IHAB COc1cccc(C(=O)N2CC[C@H](c3ncc(C(=O)Nc4ccccc4OC)c(C)n3)C2)c1 19766091 IBKQFIKXEDZAKX-SFHVURJKSA-N 446.507 3.684 0 40 IHAB O=C(Cn1c(CN2CCCC2)nc2sc3c(c2c1=O)CCCC3)Nc1ccc(F)cc1 19982230 JKFWEYYXPFSNQQ-UHFFFAOYSA-N 440.544 3.710 0 40 IHAB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)N[C@@H]2CCCc3ccccc32)CC1 20034702 PFIBXBZXMHDWPR-HSZRJFAPSA-N 426.582 3.731 0 40 IHAB CS(=O)(=O)N(CC(=O)N[C@H]1CCCc2ccccc21)c1ccc(Cl)c(Cl)c1 20456889 UJDLIOLYXUVGFZ-SFHVURJKSA-N 427.353 3.953 0 40 IHAB COc1cccc(NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)c1 21193007 RQFVATLEDRSIHQ-UHFFFAOYSA-N 442.512 3.972 0 40 IHAB CCC[C@H]1N=C2c3ccccc3N=C(SCC(=O)NCc3ccc(OC)cc3)N2C1=O 21643794 GOYCTBGLRSURCH-LJQANCHMSA-N 436.537 3.503 0 40 IHAB C[C@@H]1Cc2ccccc2N1C(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2Cl)C1=O 21705909 XLGQYLGVWCQNQW-GTJPDFRWSA-N 432.307 3.738 0 40 IHAB CCOc1cc2c(cc1NC(=O)C1CCN(C(=O)OCC(F)(F)F)CC1)O[C@@H](C)C2 22192903 SFEXKQFWOBWWIN-LBPRGKRZSA-N 430.423 3.758 0 40 IHAB COc1cccc(NC(=O)COc2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c1 22231160 MGYPDYQNIFPRSB-UHFFFAOYSA-N 440.521 3.679 0 40 IHAB CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1ccc(I)cc1)cn2C 22237192 ZUVPQMBNKSGEPN-UHFFFAOYSA-N 448.260 3.794 0 40 IHAB CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](C)CC)cc1Cl 22248036 MDUYSOXLENXWQI-DNVCBOLYSA-N 438.977 3.543 0 40 IHAB CC(=O)c1ccccc1NS(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 23053524 CVBZJFYTPOPKOE-UHFFFAOYSA-N 438.292 3.543 0 40 IHAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1c2c(nn1[C@@H]1CCS(=O)(=O)C1)CCC2 23136985 BRPNBPMAQJTIMF-QGZVFWFLSA-N 437.521 3.776 0 40 IHAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NCCCN3C[C@H](C)O[C@H](C)C3)cc12 24968853 RPIQMTJEHMQGKP-IYBDPMFKSA-N 444.576 3.823 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1sc(NC(=O)C(C)(C)C)cc1C 25952386 XCONWUOPRGKZRH-UHFFFAOYSA-N 437.587 3.852 0 40 IHAB Cc1cc(C)c2nc(NC(=O)c3nn([C@H]4CCS(=O)(=O)C4)c4c3CCCC4)sc2c1 27985844 CDKSHJGAJPPLDI-AWEZNQCLSA-N 444.582 3.600 0 40 IHAB O=C(Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)c1ccccc1I 30175768 CAWDLPQCMAWCJW-INIZCTEOSA-N 436.249 3.661 0 40 IHAB CC(=O)Nc1ccc2c([C@H](C(=O)O)N3CCN(C/C=C/c4ccccc4)CC3)c[nH]c2c1 32100733 IXAKPYLUZMFMJM-GGXQVSFTSA-N 432.524 3.583 0 40 IHAB Cc1cnc2c(S(=O)(=O)N3CCN(C(=O)c4ccc(C(C)C)cc4)CC3)cccc2c1 32771239 NJQUJHWMWBZGMI-UHFFFAOYSA-N 437.565 3.813 0 40 IHAB CC(C)n1ncc2cc(C(=O)N3CCN(CCOc4ccc(Cl)cc4)CC3)cnc21 32868833 BGSHPNBZMSCXFL-UHFFFAOYSA-N 427.936 3.502 0 40 IHAB COc1ccc(CN(C)S(=O)(=O)c2ccc(OC)c(-c3noc(C(C)(C)C)n3)c2)cc1 33013424 BYWNBYXVSFDOMY-UHFFFAOYSA-N 445.541 3.872 0 40 IHAB COc1ccc2c(c1)c1nc(SCC(=O)Nc3c(C)cccc3C)n(C)c(=O)c1n2C 33287673 UCEVBWBPCNECMM-UHFFFAOYSA-N 436.537 3.781 0 40 IHAB Cc1cccc2c(=O)n(CCC(=O)N[C@@H](c3ccc4c(c3)OCCCO4)C(C)C)cnc12 36396480 NEGRVOIFHPXARI-HSZRJFAPSA-N 435.524 3.770 0 40 IHAB CS(=O)(=O)c1ccc(CN2CC[C@H](c3nnc(Cc4c[nH]c5ccccc45)o3)C2)cc1 49169798 ZKQUGXMCDXZEBS-KRWDZBQOSA-N 436.537 3.535 0 40 IHAB biogenic,in-vitro COc1ccc(NC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)cc1NC(=O)OC(C)(C)C 57991855 CDEFTNHJGVVCHY-MRXNPFEDSA-N 446.548 3.909 0 40 IHAB Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccc4c(ccn4CCN4CCOCC4)c3)c12 58167132 JIUZBIKITBNFOB-UHFFFAOYSA-N 445.523 3.948 0 40 IHAB O=C(NCc1cccc(O)c1)NCc1ccccc1CN1CCN(c2ccccc2)CC1 58201680 CUFFZWGDVXLFFS-UHFFFAOYSA-N 430.552 3.714 0 40 IHAB COc1cccc(OC)c1OC[C@@H](O)CNC(=O)CCCOc1ccc(C(C)(C)C)cc1 62581464 OSQPAEBJFQWDPV-IBGZPJMESA-N 445.556 3.716 0 40 IHAB O=C(Cn1cc(-c2ccccc2)c2ncn(C3CC3)c(=O)c21)Nc1ccc2c(c1)OCO2 65113423 NNCMAAGRYYYEFB-UHFFFAOYSA-N 428.448 3.567 0 40 IHAB O=C(NC[C@H]1CCCO1)c1cc2cc(Cl)ccc2o/c1=N\c1ccc2c(c1)OCO2 67292858 VJDJJXOTPZMXFB-WGJYXZIMSA-N 426.856 3.956 0 40 IHAB CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2cc3c(C)nn(C)c3s2)CC1 72058196 DQKSEMJIVMYMQC-CQSZACIVSA-N 429.565 3.715 0 40 IHAB CCCN1CCN(C(=O)c2cccnc2C)[C@H](Cc2ccccc2-c2cccnc2)C1=O 72351569 BXWMVZNUFVUYKZ-XMMPIXPASA-N 428.536 3.758 0 40 IHAB CCCn1cc(S(=O)(=O)N2CCC[C@H]2c2ccc(Nc3cccc(C)n3)cn2)c(C)n1 72353215 KSIUPUKSRGVFEK-FQEVSTJZSA-N 440.573 3.969 0 40 IHAB COc1ccccc1S(=O)(=O)N1CCC[C@H]1c1ccc(Nc2nc(C)cc(C)n2)cn1 72353222 TYUNNMHEVJFPIK-IBGZPJMESA-N 439.541 3.766 0 40 IHAB CCc1nnc(Nc2cccc([C@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)n2)s1 72375984 OHRFIPXSCWGOHW-AWEZNQCLSA-N 447.561 3.947 0 40 IHAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CCCOc3ccccc3)cc2)n1 96503944 DYNQQOGSQOWSGZ-UHFFFAOYSA-N 440.525 3.692 0 40 IHAB C[C@@H](NC(=O)[C@@H]1C[C@@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2O1)c1ccc2c(c1)OCCO2 100180848 ZMVIGPBFQIFGMS-HIWZNRLNSA-N 448.519 3.590 0 40 IHAB CCOc1ccccc1N(CC(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2)S(=O)(=O)c1ccc(C)cc1 100623064 XLOIMEALIHJEKD-SFHLNBCPSA-N 442.581 3.894 0 40 IHAB CCOC(=O)[C@H](C(=O)CSc1nnc2c(Cl)cc(Cl)cn12)c1nc(C)cs1 103034776 GPKYJLXIGJXWTR-GFCCVEGCSA-N 445.353 3.809 0 40 IHAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H](OC(C)=O)[C@@](O)(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 118932124 CDKRMWAXMJVXDE-DWKSCWABSA-N 432.557 3.743 0 40 IHAB COC(=O)c1cn(C(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)c2ccccc12 222583868 FQKWRQHMZVVZFP-UHFFFAOYSA-N 436.489 3.688 0 40 IHAB COc1cccc(N(C)C(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc2C)c1 222798867 TWCDOUSAEGHUPK-UHFFFAOYSA-N 440.521 3.846 0 40 IHAB COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(C)cn1 223714358 LYBGIMLBKDDUIV-FCHUYYIVSA-N 435.553 3.501 0 40 IHAB CCSc1nnc(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)s1 223944953 UVYITXUJBMETAI-UHFFFAOYSA-N 434.568 3.728 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccc(C)cc3)cc2)cc1OC 223989851 UCAYLXYURBPGGK-UHFFFAOYSA-N 440.521 3.743 0 40 IHAB CCN(c1ccc(C(=O)Nc2ccc3c(c2)sc(=O)n3CC)cc1)S(=O)(=O)CC 225119414 XCCIXNCEEWXEDO-UHFFFAOYSA-N 433.555 3.511 0 40 IHAB O=C(Nc1ccccc1F)c1cc(C2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)n[nH]1 225561518 ZTTKTSKJMCWCLB-UHFFFAOYSA-N 436.443 3.550 0 40 IHAB CN(Cc1nc2ccccc2[nH]1)C(=O)[C@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2N1 257210177 BTOFHDSSRAHGPZ-UCOWVFGFSA-N 429.524 3.509 0 40 IHAB O=C(Cn1ncc2ccccc2c1=O)N1CCCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 257237743 HHYLHBHHTWRBOF-QFIPXVFZSA-N 446.482 3.868 0 40 IHAB NC(=O)C[C@H]1CN(C(=O)c2ccc(F)c(Cl)c2)CC[C@@H]1Oc1ccc(Cl)cc1 257253044 JXJNSHAFZSMZIF-UGSOOPFHSA-N 425.287 3.918 0 40 IHAB Cc1ccc(CS(=O)(=O)N2CCC(c3cc(Nc4cnccn4)cc(C)n3)CC2)cc1 257269982 MSGZQHIZEMYKBZ-UHFFFAOYSA-N 437.569 3.941 0 40 IHAB CCCNC(=O)CCc1c(C)nc2cc([C@@H]3CCCN3Cc3cccc(C)n3)nn2c1C 257284379 PCLGAIQQOBDGOK-QHCPKHFHSA-N 434.588 3.845 0 40 IHAB O=C(NCC[C@H]1CCCCN1C(=O)c1cccc(CN2CCCC2=O)c1)c1ccccc1 257302368 SCQAPNPBBYLEGJ-HSZRJFAPSA-N 433.552 3.624 0 40 IHAB Cc1ccc(N2C[C@@]3(CCCN(Cc4ccnc(N5CCCCC5)n4)CC3)OCC2=O)cc1 257328246 XEUXHLCCHXQMHV-SANMLTNESA-N 449.599 3.563 0 40 IHAB COc1ccc([C@@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1 260770811 UJHWOHSZCSGWJZ-HTAPYJJXSA-N 448.585 3.762 0 40 IHAB Cc1ccc(CN2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccsc2)C3=O)s1 306127617 GDOQMCWZXNDYTF-JTHBVZDNSA-N 439.606 3.910 0 40 IHAB CS(=O)(=O)N(CC(=O)Nc1ccccc1F)c1ccc(OCc2ccccc2)cc1 408543410 DGRIFWPTLTVONY-UHFFFAOYSA-N 428.485 3.809 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3OCC)C2)cc1C 408561426 SICWAJLFNIEAAD-SFHVURJKSA-N 446.569 3.832 0 40 IHAB Cc1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1OCC(=O)NCc1ccccc1 408678645 UHCVKYJJOLZXAS-UHFFFAOYSA-N 428.485 3.630 0 40 IHAB Cc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(C)cc3)[C@H]2c2ccc(Cl)cc2)cc1 409057425 PVOWQMRARWMRJT-LMOLPZMTSA-O 432.931 3.973 0 40 IHAB CCn1c(SCC(=O)N[C@@H]2CCCC[C@H]2C)nnc1[C@H](C)NC(=O)c1ccc(C)cc1 409132012 KKQFXWWYSOEZRU-ZIFCJYIRSA-N 443.617 3.884 0 40 IHAB Cc1ccc(Cl)c(OC[C@@]2(O)CCCN(Cc3ccc(OCCN(C)C)cc3)C2)c1 585272713 OBUYGUODFBZEJH-XMMPIXPASA-N 432.992 3.995 0 40 IHAB NCc1ccc(C(=O)N2CCC3(CCCCc4ccccc4OCCCNC3=O)CC2)cc1 643557083 WEWYDHRYADTRTO-UHFFFAOYSA-N 449.595 3.679 0 40 IHAB CCOC(=O)c1c(NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)sc(C(C)=O)c1C 869842 ZYHMMZKXEPBCHZ-UHFFFAOYSA-N 443.447 3.779 0 40 IHAB COc1ccccc1C(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cs1 1020400 ADQLMZQSDMJLDQ-UHFFFAOYSA-N 443.550 3.856 0 40 IHAB Cn1c(=O)c2c3c(sc2n2c(SCCc4ccccc4)nnc12)COC(C)(C)C3 1299851 BOCBWSRIHTYCFU-UHFFFAOYSA-N 426.567 3.829 0 40 IHAB CCc1nnc(NC(=O)CSc2nnc(CNc3ccc(C)cc3C)n2CC)s1 2074161 NNWIEPAOUCHVCD-UHFFFAOYSA-N 431.591 3.672 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)OCC(=O)c2cc3ccccc3o2)cc1 2641264 QJZCKYFVVBYMIC-SDNWHVSQSA-N 441.505 3.903 0 40 IHAB Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nn4cnnc4s3)cc2)c(Cl)c1 4124905 OCTNXTRNYHQYTQ-UHFFFAOYSA-N 428.930 3.941 0 40 IHAB Cc1cccc(C)c1NC(=O)CCc1nnc2s/c(=C\c3ccc(Cl)cc3)c(=O)n12 5722548 QSWGTKLVHUKLPZ-ATVHPVEESA-N 438.940 3.540 0 40 IHAB CCOC(=O)c1ccc(NC(=O)c2cc3cc(Br)cc(OC)c3oc2=O)cc1 8834672 RVNDTNSMYCBQQY-UHFFFAOYSA-N 446.253 3.993 0 40 IHAB COc1cc2c(c(OC[C@H](O)CNC(C)C)c1)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2 8917696 LMFGSZBVOQSYSJ-SHDQBEOMSA-N 447.572 3.915 0 40 IHAB COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN(C)C)[C@H]3c1cccc(OC(C)C)c1 9058878 HCLYJSIJYUFXFQ-QFIPXVFZSA-N 436.508 3.696 0 40 IHAB Cc1ccc(CN2CCC(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)cc1 9063166 LDJCFQXTCGBWDT-UHFFFAOYSA-N 441.597 3.630 0 40 IHAB COc1ccc(C(=O)Nc2ccccc2C(=O)NCc2nc(-c3ccccc3)no2)cc1 9130528 BCCJUVNDJNPVBT-UHFFFAOYSA-N 428.448 3.928 0 40 IHAB CSc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)CCc3ccccc3)CC2)cc1 9226349 STUZSHNAJMNZTJ-SFHVURJKSA-N 446.638 3.947 0 40 IHAB O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]2[C@H]2CCCN12 9510428 CZLNOORALBDGNW-MYZZLAAOSA-N 429.303 3.829 0 40 IHAB CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3cc(C(C)(C)C)no3)n2N)cc1 9548727 WNKDGGGCPIBVJN-UHFFFAOYSA-N 428.562 3.973 0 40 IHAB O=C(CSc1nnc([C@H]2COc3ccccc3O2)o1)Nc1ccc(N2CCCC2)cc1 9607773 AAJOIDMGTYIHHQ-LJQANCHMSA-N 438.509 3.913 0 40 IHAB Cc1nc2ncccc2c(=O)n1-c1cccc(NC(=O)c2ccc(Br)o2)c1 9660492 PVBKALMPQRBARD-UHFFFAOYSA-N 425.242 3.697 0 40 IHAB CS(=O)(=O)Nc1ccc(C2=NN(C(=O)c3cccc(F)c3)[C@@H](c3ccco3)C2)cc1 9673716 HUDURDYMNQYWKL-LJQANCHMSA-N 427.457 3.782 0 40 IHAB COc1ccc(S(=O)(=O)c2nnn3c2nc(Nc2ccccc2)c2ccccc23)cc1 9829950 ZJXUBTYSVQVDNP-UHFFFAOYSA-N 431.477 3.863 0 40 IHAB CC(=O)Nc1ccc(NC(=O)CCc2c(C)[nH]n(-c3ccc(F)cc3)c2=O)cc1Cl 9980150 XACAWBWWMKPVIX-UHFFFAOYSA-N 430.867 3.796 0 40 IHAB Cc1sc2ncn(CC(=O)c3c[nH]c(C(=O)N4CCCC4)c3)c(=O)c2c1-c1ccccc1 10031717 LLQJBXJNIKXEMQ-UHFFFAOYSA-N 446.532 3.880 0 40 IHAB Cc1ccc(O[C@@H](C)C(=O)N2CCC[C@H](c3nc4ccc(F)cc4cc3C(N)=O)C2)cc1 12256213 GYTXKVIDAIEGRE-IRXDYDNUSA-N 435.499 3.955 0 40 IHAB Cc1cc(C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)CCn4nc(C)c(C)c4C)C3)cc2n1 12257721 DCRJMNRGCXSJOR-QGZVFWFLSA-N 448.493 3.975 0 40 IHAB Cn1c(=O)[nH]c(=O)c2c1nc(SCCCc1ccccc1)n2Cc1ccccc1Cl 12373957 ASOVLOAMRLAHTH-UHFFFAOYSA-N 440.956 3.850 0 40 IHAB CN(C)CCCNc1nnnc2c1sc1nc(N3CCCCC3)c3c(c12)CCCC3 12409062 LOIRNUHUDVEJGH-UHFFFAOYSA-N 425.606 3.867 0 40 IHAB COc1cc(OC)cc(-c2noc(C3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)n2)c1 12415225 NTGTXIKHMQSUAM-UHFFFAOYSA-N 443.525 3.631 0 40 IHAB NC(=O)c1ccc(N2CCCC2)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1 12541984 ATRFIKZSRGHSMT-UHFFFAOYSA-N 447.866 3.859 0 40 IHAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NC[C@H](c3ccccc3)N(C)C)c2)cc1 12605291 BFDGREPCUILVGF-HSZRJFAPSA-N 437.565 3.829 0 40 IHAB CC1=CC2=NC(=O)C[C@@](C)(C(=O)N(CC(=O)NC3CCCC3)c3cc(C)cc(C)c3)N2C=C1 12880212 IGPQOEKCGZJZGS-SANMLTNESA-N 448.567 3.558 0 40 IHAB COc1ccc(OC)c([C@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)c1 12898887 NKTYIPKOSQWSFS-QGZVFWFLSA-N 426.332 3.992 0 40 IHAB CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)Nc2cccc(-c3nnco3)c2)c1 12945377 SISDWFGHVGCORR-UHFFFAOYSA-N 440.525 3.942 0 40 IHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCN(c3ccccc3C)CC2)nc1 13039572 ADAJXSRLTKYOKW-UHFFFAOYSA-N 436.581 3.932 0 40 IHAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O 13113398 JPFCXYKTIZDQKH-RNODOKPDSA-N 441.450 3.933 0 40 IHAB C[C@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)N1CC(=O)Nc2ccccc21 13164946 CHSJNKSNXIRODE-HNNXBMFYSA-N 433.537 3.670 0 40 IHAB CCCc1cc(=O)oc2cc(O[C@H](C)C(=O)NCc3ccc(OC)c(OC)c3)ccc12 15370736 WUZXMIULODZSPT-OAHLLOKOSA-N 425.481 3.846 0 40 IHAB O=C(C[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1)NCc1c(F)cccc1F 15391046 OZNVMCFLYBNBSC-OAHLLOKOSA-N 442.915 3.868 0 40 IHAB CN(C)S(=O)(=O)c1cc(C(=O)NCCc2ccc(C(F)(F)F)cc2)ccc1Cl 15439844 LCCYBGOWBKXAPO-UHFFFAOYSA-N 434.867 3.582 0 40 IHAB Cc1cccn2cc(COC(=O)[C@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)nc12 16209936 IKEVMBYLKVBELA-QFIPXVFZSA-N 439.471 3.593 0 40 IHAB O=S(=O)(c1ccccc1Cl)N1CCN(Cc2ccc(Br)s2)CC1 18940659 ARKLTCZNUXPFII-UHFFFAOYSA-N 435.796 3.671 0 40 IHAB COCCc1ncc(CN2CCC[C@@H]2c2nc(N(C)C)ncc2-c2cccc(OC)c2)cn1 19689764 JERFQHMRYYCFRF-JOCHJYFZSA-N 448.571 3.534 0 40 IHAB CN(C)c1ncc(-c2cccc(F)c2)c([C@H]2CCN(C(=O)c3[nH]nc4c3CCCCC4)C2)n1 19695033 FMROIGGUVZHNIX-KRWDZBQOSA-N 448.546 3.970 0 40 IHAB Cc1nc([C@H]2CCCN2C(=O)Cc2ccccn2)nc2c1CCC(=O)N2Cc1ccccc1 19696200 AZFZHDPEJBSTLT-JOCHJYFZSA-N 441.535 3.566 0 40 IHAB O=C1CCCC[C@@H]2[C@H](C[C@@H](Cc3ccccc3)N2C(=O)c2cccc(N3CCCC3=O)c2)N1 19712119 UVWWYRUOCAOIIA-TZRRMPRUSA-N 445.563 3.698 0 40 IHAB Cc1nn(C)cc1C(=O)N1CCC([C@]2(C)CCCCN(CCc3ccccc3)C2=O)CC1 19743941 BWHCGKOMJLSOSJ-SANMLTNESA-N 436.600 3.842 0 40 IHAB Cc1nc([C@H]2CCCN2C(=O)COc2ccccc2)ncc1C(=O)Nc1ccc(F)cc1 19755475 COWGMCHNAWLJTO-OAQYLSRUSA-N 434.471 3.919 0 40 IHAB O[C@H](COCCOc1ccc(Cl)cc1)CN1CCN(Cc2ccc(Cl)cc2)CC1 19938592 KKCPFGYFCCFUBN-NRFANRHFSA-N 439.383 3.568 0 40 IHAB 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Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)[C@H]3COc4ccccc4O3)cc2)c1 916414 PXQRXWUSEDLVBW-JOCHJYFZSA-N 438.505 3.883 0 40 IHAB O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 1428369 UHZWAPLTYOXFIT-OMPVVWJNSA-N 438.593 3.934 0 40 IHAB COC(=O)[C@@H](NC(=O)c1ccccc1)[C@H](c1ccc(Cl)cc1)P(=O)(OC)OC 1626668 PHLNZBHKQDKZBX-IRXDYDNUSA-N 425.805 3.839 0 40 IHAB CCCCOc1ccc(-c2nc3s/c(=C\c4ccc(OC)c(OC)c4)c(=O)n3n2)cc1 1806312 ANKKEVDIFJXPEJ-ZHZULCJRSA-N 437.521 3.562 0 40 IHAB C[C@@H](OC(=O)c1ccc(C(=O)c2ccccc2)cc1)C(=O)NCc1ccc2c(c1)OCO2 3489103 UOCFSMYQQQPBHX-MRXNPFEDSA-N 431.444 3.508 0 40 IHAB COCCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccccc1 6905454 GLAAQLIFNYXSTQ-UHFFFAOYSA-N 432.933 3.888 0 40 IHAB O=C(NC[C@H](c1ccco1)N1CCCCC1)c1nn(-c2ccccc2)c(=O)c2ccccc12 9056447 ILPXCEAPQKUCBG-JOCHJYFZSA-N 442.519 3.936 0 40 IHAB Cc1cnc(NS(=O)(=O)c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)nc1 9089587 NOZIDQYOPJRZGN-UHFFFAOYSA-N 426.542 3.741 0 40 IHAB COC(=O)C1=NN(c2ccccc2)[C@@]2(S1)SC(C(=O)OC)=C(C)N2c1ccccc1 9193102 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Cc1ccc(-n2c(=O)c3oc4ccccc4c3n(CC(=O)NCc3ccccc3)c2=O)cc1 12140749 YYQKTKGZPSBFPS-UHFFFAOYSA-N 439.471 3.523 0 40 IHAB Cc1nc(Oc2ccccc2)cc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)n1 12225086 LVHUBZFRXLUNFA-UHFFFAOYSA-N 444.944 3.742 0 40 IHAB CNC(=O)CSc1nc(-c2ccccc2)c(NC(=O)COc2ccc(C)cc2)s1 12442938 KGUQHKBGFWBRKE-UHFFFAOYSA-N 427.551 3.974 0 40 IHAB COc1cccc(-n2cnnc2SCC(=O)N2CCS[C@@H]2c2ccccc2F)c1 12532742 UDRAMIKXAMCPMK-LJQANCHMSA-N 430.530 3.781 0 40 IHAB CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2cc3c(C)nn(CC(C)C)c3s2)C1=O 12599151 PZYBOECXBFHGGU-JOCHJYFZSA-N 439.541 3.564 0 40 IHAB Cc1nc(-c2ccc(CCNC(=O)c3ccc(CN4C(=O)CCC4=O)cc3)cc2)cs1 12621182 PDGIPCARZOODOB-UHFFFAOYSA-N 433.533 3.740 0 40 IHAB Cc1ccc(NC(=O)CN(C)c2nc(CN3CCOCC3)nc3sc(C)c(C)c23)cc1 12799459 XOTWYQQELKADQQ-UHFFFAOYSA-N 439.585 3.524 0 40 IHAB Cc1ccc(NC(=O)CN2CCN(C(=O)CN[C@@H](C)c3cccc4ccccc34)CC2)cc1 12809426 CLIHCHXEVFRHGL-NRFANRHFSA-N 444.579 3.582 0 40 IHAB Cc1ccccc1C(=O)N1CCC(C(=O)O[C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)CC1 12857785 JBBICJCZWHMEMB-OSGXGRJZSA-N 428.573 3.720 0 40 IHAB CCC(C)(C)NC(=O)[C@H](c1cccnc1)N(Cc1ccc(F)cc1)C(=O)c1csnn1 12872159 MWJOBYFKQXLFKF-IBGZPJMESA-N 441.532 3.761 0 40 IHAB CCOc1c(Br)cc(F)cc1NS(=O)(=O)c1ccc2oc(=O)ccc2c1 12944519 MNDVVTZFTXNSHB-UHFFFAOYSA-N 442.262 3.894 0 40 IHAB O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1ccccc1)N1CCN(C(=O)C2CC2)CC1 12975428 WALQXYHYEBNXIY-BUHFOSPRSA-N 440.547 3.692 0 40 IHAB O=C(C[C@@H]1C=CCC1)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 12980605 RNDLRXOGNXWIQE-CYBMUJFWSA-N 436.883 3.548 0 40 IHAB COc1ccc(S(=O)(=O)N[C@H](c2ccc(F)cc2)c2cccs2)cc1NC(C)=O 12993371 IOBXCFOCUPJUSH-HXUWFJFHSA-N 434.514 3.922 0 40 IHAB CCOc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 14344570 GTWBFABGTZXDIN-UHFFFAOYSA-N 443.352 3.539 0 40 IHAB Cc1cccc(OCCCNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c1 16709117 GDSONMOXDJZLNV-UHFFFAOYSA-N 430.570 3.677 0 40 IHAB COc1ccc(S(=O)(=O)[C@@H](CNC(=O)COc2ccccc2C)c2cccs2)cc1 17136053 UONJPFHMZKHPJN-NRFANRHFSA-N 445.562 3.775 0 40 IHAB Cc1ccc(NC(=O)N2CCN(CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)cc1 18180869 PUHYPXJKWLHTTD-UHFFFAOYSA-N 436.434 3.682 0 40 IHAB CC(C)(C)c1ccc(C(=O)[C@H]([C@@H](c2ccccc2)N2CCOCC2)N2CCOCC2)cc1 19365026 LLWAEHIULOYSDC-RPBOFIJWSA-N 436.596 3.941 0 40 IHAB CC(C)NC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CCCN(C(=O)[C@H]2CCCO2)C1 19448773 GDDJSQDHCBYWRW-BVAGGSTKSA-N 435.568 3.604 0 40 IHAB O=C(CN1CCO[C@H](c2nccnc2-c2cccc(Cl)c2)C1)Nc1ccc(F)cc1 19693243 OUHVFNPMMOBRBF-IBGZPJMESA-N 426.879 3.948 0 40 IHAB CNc1cc(C2CCN(Cc3ccc4c(c3)CC(C)(C)O4)CC2)nc(CN(C)C(C)=O)n1 19710113 YXEQKMPXOXJWMO-UHFFFAOYSA-N 437.588 3.590 0 40 IHAB Cc1nc(N)c2ccc([C@@H]3CCCN(C(=O)c4cc(-c5ccc(F)cc5)no4)C3)nc2n1 19743382 DITICSAOWLMRAM-OAHLLOKOSA-N 432.459 3.729 0 40 IHAB O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)NCc1ccc(Cl)cc1Cl 19930474 ZVJBQMWFYTVLEE-UHFFFAOYSA-N 427.353 3.683 0 40 IHAB CC[C@H](NC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O)c1ccc(C)cc1 20104977 SHJQFXXMRLUWKK-SFHVURJKSA-N 439.375 3.791 0 40 IHAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 20491335 UAWDAUBOGUGFSP-OAQYLSRUSA-N 425.510 3.987 0 40 IHAB COc1ccc(CN(C)C(=O)CN2c3ccc(F)cc3-c3ccccc3S2(=O)=O)cc1 22518835 CPYWTXMVYJZUQS-UHFFFAOYSA-N 440.496 3.669 0 40 IHAB COc1ccc2nc(N(CCCN3CCOCC3)C(=O)Cc3ccc(F)cc3)sc2c1 22997651 MVYYIOPDFPHJQW-UHFFFAOYSA-N 443.544 3.742 0 40 IHAB CCOc1ccccc1-c1nnc(S[C@@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)o1 23267795 WBCFRIPNOUCMKU-ZDUSSCGKSA-N 447.538 3.870 0 40 IHAB COc1ccc(-n2nnnc2SC[C@H](O)Cn2c3ccccc3c3ccccc32)cc1 25644201 DAQVSXCKNOFVKY-QGZVFWFLSA-N 431.521 3.932 0 40 IHAB COc1ccc(-c2nnc(SCC(=O)N[C@@H](C)c3ccco3)n2C[C@@H]2CCCO2)cc1 27205049 GCBBYLMOTGNINC-YJBOKZPZSA-N 442.541 3.695 0 40 IHAB O[C@@]1(c2ccc(Br)cc2)CN(c2ccc3c(c2)OCCO3)C2=[N+]1CCCCC2 27525311 YXQYEJQXNGBYGU-JOCHJYFZSA-N 444.349 3.871 0 40 IHAB Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 29098100 ZVPBXZWXPOKJTB-HOCLYGCPSA-N 427.526 3.503 0 40 IHAB O=C(Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1)NC1=NCCS1 32721883 XTKHEHLQXPMGNG-UHFFFAOYSA-N 444.365 3.556 0 40 IHAB COc1cc(C(=O)NCc2ccc(-n3cccn3)nc2)ccc1OCc1csc(C)n1 32769231 YDBUNOSETLKRAR-UHFFFAOYSA-N 435.509 3.550 0 40 IHAB CSc1ncc(C(=O)N(C)Cc2ccccc2N2CCOCC2)n1-c1ccc(F)cc1 32772558 PTLVRKVEKCBCQU-UHFFFAOYSA-N 440.544 3.842 0 40 IHAB COc1cccc(S(=O)(=O)c2c(C(=O)N3CCCCC3)cnc3ccc(F)cc23)c1 33249416 HFYCTFVAZHJMPI-UHFFFAOYSA-N 428.485 3.841 0 40 IHAB COc1ccc(/C=C2/SC(=O)N(CCNC(=O)Cc3ccc(Cl)cc3)C2=O)cc1 33451075 DFCROWUWQNPBKX-LDADJPATSA-N 430.913 3.744 0 40 IHAB COc1ccc([C@H]2c3sc(=O)[nH]c3S[C@@H](C(=O)O)[C@@H]2C(=O)c2ccc(F)cc2)cc1 35053053 LZNDVARHFAXPRW-RVKKMQEKSA-N 445.493 3.774 0 40 IHAB Cc1[nH]c2ccccc2c1C(=O)CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 35529801 FEOFREAGXWNSFN-UHFFFAOYSA-N 447.560 3.819 0 40 IHAB Cc1nc2n(c(=O)c1Cc1ccccc1)CN(CCO)CN2c1cccc(C(F)(F)F)c1 38830040 OUPAUSSMKXXOJV-UHFFFAOYSA-N 444.457 3.522 0 40 IHAB CC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)Cc1ccccc1)c1ccc(Br)cc1 40156196 QRIZLGAXQYWRKH-RDTXWAMCSA-N 439.375 3.525 0 40 IHAB CCOC(=O)c1sc(NC(=O)c2cc(=O)c(OCc3ccccc3F)co2)nc1C 40288068 BXYLPADBAMUVMH-UHFFFAOYSA-N 432.429 3.552 0 40 IHAB C[C@@H]1CCCN(C(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CC2)C1 44946553 VUXITZDSERCSHC-CQSZACIVSA-N 433.401 3.794 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N[C@@H]1CCCc2ccccc21 44948287 CNCCOSYMDYEJHD-OAQYLSRUSA-N 428.554 3.677 0 40 IHAB Cc1ccccc1-c1noc(-c2cccn(CC(=O)NCc3ccccc3Cl)c2=O)n1 49002601 YGHHGUHLLQZBGK-UHFFFAOYSA-N 434.883 3.844 0 40 IHAB Cc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccccc5Cl)no4)ncn3n2)c(C)c1 49004314 DXNVDAGABLVFCY-UHFFFAOYSA-N 432.871 3.927 0 40 IHAB Cc1ccc(-c2cnc(CCC(=O)Nc3ccc4oc(=O)n(CCN(C)C)c4c3)o2)cc1 58110627 CANVKAWFXLPJJC-UHFFFAOYSA-N 434.496 3.691 0 40 IHAB COC(=O)[C@H](CC(C)C)NC(=O)Cc1csc(-c2cc(Br)cs2)n1 59420843 INIZOHRAGOCDBC-LBPRGKRZSA-N 431.377 3.881 0 40 IHAB Cc1cc2nc(SCC(=O)NCc3ccc(F)c(Cl)c3)n(CC(C)C)c(=O)c2[nH]1 67237871 CYICWRPPFJIXLK-UHFFFAOYSA-N 436.940 3.890 0 40 IHAB CSc1ccc([C@H]2NC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C3=C2C(=O)OC3)cc1 67288956 REFJMZPMFDBVCN-LJQANCHMSA-N 443.912 3.578 0 40 IHAB O=C(NCCc1c[nH]c2ccc(F)cc12)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 71285631 PLOXZIVQHPSCKY-UHFFFAOYSA-N 449.935 3.863 0 40 IHAB CN(CC(=O)Nc1ccc(Br)cn1)Cc1ccccc1OCC(F)(F)F 72304884 OTXPWJARKFUMLQ-UHFFFAOYSA-N 432.240 3.856 0 40 IHAB CCn1cc(S(=O)(=O)N2CCC[C@H]2c2cccc(Nc3ncc(C)s3)n2)c(C)n1 72375596 CHAPQIRCQJVWPZ-INIZCTEOSA-N 432.575 3.641 0 40 IHAB COc1cc(NC2CCN([C@@H](C)C(=O)NCc3ccc(Cl)cc3)CC2)cc(OC)c1 79025613 HHBCVVYKRBUMOX-INIZCTEOSA-N 431.964 3.938 0 40 IHAB CCCCC[C@@H](NC(=O)CCCCCn1c(=S)[nH]c2ccccc2c1=O)C(=O)OC 79026141 WPPVDTYLVDVBKN-GOSISDBHSA-N 433.574 3.858 0 40 IHAB C[C@@H]1CC[C@@H]2N(C[C@H]3[C@H]4C[C@@H]5[C@H](C[C@H](O)[C@H]6C[C@@H](O)CC[C@@]65C)[C@@H]4CC[C@H]3[C@]2(C)O)C1 85885383 IUKLSMSEHKDIIP-MCOWQJCGSA-N 431.661 3.678 0 40 IHAB Cc1nc(Cl)ccc1C(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 89536887 DOUAHBHWDAHYEI-QGZVFWFLSA-N 427.854 3.866 0 40 IHAB Cc1c(C(=O)N2CC[C@@H](S(=O)(=O)c3ccc(Cl)cc3)C2)cnn1-c1ccccc1 96103491 PRFKNGHAWDVHKL-LJQANCHMSA-N 429.929 3.523 0 40 IHAB O=C(C[C@H]1CC2(CCN(C(=O)c3ccc(F)cc3)CC2)c2ccccc21)N1CCOCC1 96242174 YOVPCVXNTJZDPU-FQEVSTJZSA-N 436.527 3.736 0 40 IHAB Cc1ccc([C@@H](C)NC(=O)CN(c2ccc(C(F)(F)F)cc2)S(C)(=O)=O)c(C)c1 220050545 BBNGZHYUYQMOOD-OAHLLOKOSA-N 428.476 3.966 0 40 IHAB CC[C@H](C(=O)NCCSCc1ccccc1)N(c1cc(C)ccc1C)S(C)(=O)=O 220534658 ITQXGIKOBWULTA-HXUWFJFHSA-N 434.627 3.898 0 40 IHAB CC[C@H](C(=O)NCCCc1ccc(Cl)cc1)N(c1ccccc1F)S(C)(=O)=O 220601024 JZTGZFJEZDWJFT-GOSISDBHSA-N 426.941 3.773 0 40 IHAB CN(c1cccc(C(=O)NCCSCc2c(F)cccc2Cl)c1)S(C)(=O)=O 222411164 BJGQCPKAWOGJEU-UHFFFAOYSA-N 430.954 3.538 0 40 IHAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 223001727 OEFSVYIZBTZIIC-GAJHUEQPSA-N 444.597 3.996 0 40 IHAB Cc1cc(S(=O)(=O)NC2CC2)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl 223054022 WVWVTRBGZWAUEC-UHFFFAOYSA-N 429.325 3.760 0 40 IHAB CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(Cl)cc1Br 225203817 OLGFNFFRSFOZKR-CYBMUJFWSA-N 439.737 3.645 0 40 IHAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1cccc(N(C)S(C)(=O)=O)c1 225678524 PRHKOXFHALOZIN-GOSISDBHSA-N 433.599 3.980 0 40 IHAB CCCNC(=S)Nc1nc(Sc2ncccn2)cc(N2CCc3ccccc3C2)n1 225886408 WNNQIKBIWSEJRZ-UHFFFAOYSA-N 437.598 3.677 0 40 IHAB Cc1cc(Cc2cccc(C(F)(F)F)c2)cc([C@H]2CN(C(=O)c3nonc3C)CCO2)n1 257243679 IIAYMOVGWLAMOM-LJQANCHMSA-N 446.429 3.905 0 40 IHAB Cc1cc(C)n(Cc2cccc(C(=O)NS(=O)(=O)c3ccccc3C(F)(F)F)c2)n1 257264372 LUCCDEZJYFJGRM-UHFFFAOYSA-N 437.443 3.686 0 40 IHAB C[C@]1(O)CN(CC(=O)Nc2ccc(C(F)(F)F)cc2)CC[C@@H]1Oc1cccc(F)c1 257264654 LVLOLRDGEAXOOM-ICSRJNTNSA-N 426.410 3.687 0 40 IHAB Cc1ccc2[nH]nc(C(=O)N3CCO[C@@H](c4cc(CCOc5cccc(F)c5)[nH]n4)C3)c2c1 257330045 XMOCJZGQVCULDG-JOCHJYFZSA-N 449.486 3.569 0 40 IHAB C[C@H]1CCCC[C@H]1NC(=O)CSc1n[nH]c(-c2cc(Br)ccc2O)n1 408545525 UDQLLWLYTMWDNN-GXFFZTMASA-N 425.352 3.727 0 40 IHAB O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl)Nc1c(F)cccc1F 408590990 IHZJCZUPGRBSSO-UHFFFAOYSA-N 444.887 3.857 0 40 IHAB Cc1ccccc1C(=O)NCc1nnc(SCC(=O)Nc2ccc3ccccc3c2)n1C 409052303 HCISDIMTVXWJJJ-UHFFFAOYSA-N 445.548 3.938 0 40 IHAB CCC[C@H](C)NC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 409321098 DNAIVUBAJKJTRM-KRWDZBQOSA-N 434.558 3.512 0 40 IHAB O=C(Nc1cccc2c[nH]nc12)c1csc(S(=O)(=O)N2CCc3ccccc3C2)c1 641866584 MZLPLKMKQQEPBM-UHFFFAOYSA-N 438.534 3.624 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCO[C@H](c3cccc(Nc4ncc(C)s4)n3)C2)cc1 643551020 VAHLXSCKXSTATC-SFHVURJKSA-N 430.555 3.661 0 40 IHAB C[C@@H](Cc1csc2ccccc12)NS(=O)(=O)c1cc2c3c(c1)CCN3C(=O)CC2 821877053 GHVSEBBIGDPTOY-AWEZNQCLSA-N 426.563 3.646 0 40 IHAB Cc1cc(C(=O)COC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)c(C)n1C1CC1 3426088 JUJHQNOUWXXTRY-UHFFFAOYSA-N 433.508 3.916 0 40 IHAB COc1ccccc1CNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2OC)c1 3569907 KSCCXGHBDHHBQA-UHFFFAOYSA-N 440.521 3.743 0 40 IHAB CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CCC(C)CC3)cc2c1 6196920 WDWNYOOBIRINEQ-JOCHJYFZSA-N 436.560 3.850 0 40 IHAB O=C(NC[C@@H](c1cccs1)N1CCCC1)C1CCN(C(=O)Nc2ccccc2)CC1 7978477 GARCYQAMRPGMJG-FQEVSTJZSA-N 426.586 3.945 0 40 IHAB CCCOC(=O)c1ccc(N2C[C@H](C(=O)O[C@H](C)C(=O)c3ccc(C)cc3)CC2=O)cc1 8383836 HKFWLTJYYSMFPT-YLJYHZDGSA-N 437.492 3.729 0 40 IHAB O=C1N=C(O)[C@]2(Cc3ccccc3N3CCCCC[C@@H]32)C(=O)N1c1ccc2c(c1)OCO2 8695487 BTTCODLPLQKRFY-HYBUGGRVSA-N 433.464 3.830 0 40 IHAB NC(=O)C1CCN(c2oc(-c3ccc(Cl)cc3)nc2S(=O)(=O)c2ccccc2)CC1 8844635 BXUAKDLJJGNVCP-UHFFFAOYSA-N 445.928 3.530 0 40 IHAB C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCC(C(=O)c5ccccc5)CC4)[C@H]3[C@@H](O)[C@@]21C 8918012 ATJMZTVSABUEJR-FKZUWCDTSA-N 437.580 3.866 0 40 IHAB biogenic Cn1c(=O)c2c(nc3n(CC45CC6CC(CC(C6)C4)C5)c(-c4ccccc4)cn23)n(C)c1=O 9019395 LNLLROHIKXCTDO-UHFFFAOYSA-N 443.551 3.570 0 40 IHAB CCCn1c(SCC(=O)c2c(C)[nH]c(C)c2C(=O)OCC)nnc1-c1ccncc1 9120117 BUNPAQZCSIDIBZ-UHFFFAOYSA-N 427.530 3.847 0 40 IHAB CSc1cccc(N2C[C@@H](C(=O)Nc3cc(Cl)ccc3-n3cncn3)CC2=O)c1 9253677 IFRRGJDRNLOCDP-ZDUSSCGKSA-N 427.917 3.634 0 40 IHAB CC(C)(C)n1nc2c(c1NC(=O)c1ccc(S(=O)(=O)N3CCCCC3)cc1)CSC2 9363800 GHOUUGSSLGVHNI-UHFFFAOYSA-N 448.614 3.812 0 40 IHAB COc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3)C2=O)ccc1OC(F)F 9465272 KQUFPIWFXRSXIA-FQEVSTJZSA-N 438.814 3.600 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CSc2nc3ccccc3n2CC)cc1 9507746 OEWKTPOWFZLGIJ-UHFFFAOYSA-N 446.598 3.818 0 40 IHAB CCOc1ccc(C(=O)C[C@@]2(O)C(=O)N(CCOc3ccccc3)c3ccccc32)cc1 9547848 NQDGRZCQADZYQO-SANMLTNESA-N 431.488 3.972 0 40 IHAB CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccccc1CSc1nc2ccccc2o1 9556002 APDTYTZEMAJUMJ-ZDUSSCGKSA-N 427.482 3.511 0 40 IHAB Cc1ccc(-n2c(=O)c3oc4ccccc4c3n(CC(=O)Nc3ccccc3)c2=O)cc1 9603198 XIEXDSIGEUHNNY-UHFFFAOYSA-N 425.444 3.846 0 40 IHAB C[C@H]1Oc2ccc(NC(=O)c3cn(Cc4ccccc4)nc3-c3cccnc3)cc2NC1=O 9619671 OIGSHKMSQNREAG-MRXNPFEDSA-N 439.475 3.965 0 40 IHAB CC[C@@H](C)[C@H](C(=O)OCc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 9665379 JBYQLYUPAYOHQD-GCJKJVERSA-N 431.554 3.581 0 40 IHAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)C1CCN(C(=O)c2ccco2)CC1 9861710 QVFLEOGVVNTOCN-UHFFFAOYSA-N 433.512 3.755 0 40 IHAB COc1cccc([C@@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3ncnn32)c1OC 9906959 NOKYILGCQCNDPS-GOSISDBHSA-N 425.876 3.876 0 40 IHAB CN(Cc1ccccc1N1CCOCC1)C(=O)CCc1nc(-c2ccc(Cl)cc2)no1 10901316 RSDKSKSBFNMDAV-UHFFFAOYSA-N 440.931 3.818 0 40 IHAB O=C(CSC1=Nc2c(cnn2-c2ccccc2)C2=NCCCN12)Nc1ccccc1F 12323241 YYLSCTOWZRSPJY-UHFFFAOYSA-N 434.500 3.837 0 40 IHAB COc1c(C[C@H]2CC(CNCCc3ccc(Cl)cc3)=NO2)cc2c(c1OC)OCO2 12418039 FHDFOOLEZAEVSE-SFHVURJKSA-N 432.904 3.606 0 40 IHAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 12799931 IXBNWROSAJMYRP-UHFFFAOYSA-N 427.508 3.581 0 40 IHAB CCOc1ccc(OCC(=O)Nc2sc3c(c2C(=O)N2CCOCC2)CCCC3)cc1 12816092 RKXSRCYYEYTEPW-UHFFFAOYSA-N 444.553 3.516 0 40 IHAB CCCC[C@H](CC)CNC(=O)[C@H](C)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 12863488 HBPHGEOCKVHMIJ-TZPNTHKFSA-N 438.572 3.925 0 40 IHAB biogenic Cc1cc(NC(=O)[C@H](NC(=O)NCc2ccc(F)cc2)C(C)C)ccc1N1CCCC1=O 12944492 ZTCSRIBMQWNJAC-JOCHJYFZSA-N 440.519 3.723 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2OCC(F)(F)F)cc1C 13005383 XAGCIHAKZGWNNR-UHFFFAOYSA-N 430.448 3.504 0 40 IHAB CCCCOc1ccc(N(CC(=O)NC(C)C)C(=O)CCC(=O)Nc2ccccn2)cc1 13151158 SDCMWQWLKYXYFC-UHFFFAOYSA-N 440.544 3.537 0 40 IHAB CCOc1cc(C(=O)N2CCN(Cc3cccs3)CC2)cc(Br)c1OC 14119390 DDADGZVCTMNFTL-UHFFFAOYSA-N 439.375 3.876 0 40 IHAB COc1ccc(NC(=O)c2ccc(NC(=O)CCN3C(=O)COc4ccccc43)cc2)cc1 14201479 UMAKRRPXEBSXMS-UHFFFAOYSA-N 445.475 3.702 0 40 IHAB CON(C)S(=O)(=O)c1cc(C(=O)Nc2ccccc2Br)ccc1Cl 14232110 RQLGZAGQOOJGLD-UHFFFAOYSA-N 433.711 3.537 0 40 IHAB O=C(N[C@@H]1CCSc2ccc(F)cc21)c1cccc(S(=O)(=O)N2CCCCC2)c1 15199044 ANZMTJWHFAJGFQ-LJQANCHMSA-N 434.558 3.967 0 40 IHAB CC(=O)N1CCc2c(sc(NC(=O)CCSc3ccc(Cl)cc3)c2C(N)=O)C1 15391538 NCPWFXDLAWLLPC-UHFFFAOYSA-N 437.974 3.526 0 40 IHAB CC(C)Cn1c(CCC(N)=O)nnc1S[C@@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1 17274342 UIHQMBLIVFUSRF-NSHDSACASA-N 444.388 3.778 0 40 IHAB COc1ccc(-n2ncc(C(=O)[C@@H]3CCCN(Cc4ccc(NC(C)=O)cc4)C3)c2N)cc1 19022454 RXILZCZJCPOGBB-LJQANCHMSA-N 447.539 3.516 0 40 IHAB c1ccc(-c2cnc3c(c2)[C@H](N2CCOCC2)n2nc(-c4ccncc4)nc2S3)cc1 19374046 OUJYETVXEHUZOZ-JOCHJYFZSA-N 428.521 3.746 0 40 IHAB Cc1nc([C@H]2CCCCN2Cc2ccccn2)nc2c1CCC(=O)N2Cc1ccccn1 19695811 XYRWFBREJOKCAB-JOCHJYFZSA-N 428.540 3.782 0 40 IHAB CNC(=O)c1sc2ncccc2c1[C@@H]1CCN(C(=O)CCc2ccc(N(C)C)cc2)C1 19702442 RFXMTIZCRSARCV-QGZVFWFLSA-N 436.581 3.671 0 40 IHAB COc1ccc([C@H](C)NC(=O)CCc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1OC 20024117 PHELCGODKRAQFK-INIZCTEOSA-N 448.585 3.591 0 40 IHAB C[C@H](NC(=O)CSc1n[nH]c(=O)n1CCc1ccccc1)c1ccc2c(c1)CCCC2 20080480 CBABYSJLHQKUAC-KRWDZBQOSA-N 436.581 3.662 0 40 IHAB O=C(OCc1cc(=O)n2ccsc2n1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 21543480 WRRTTWQEFJNVTB-IBGZPJMESA-N 432.457 3.567 0 40 IHAB CCc1nn2c(=O)cc(CSc3nccn3-c3ccc(Br)cc3)nc2s1 22133813 KLTNPLDRKUYTRG-UHFFFAOYSA-N 448.371 3.954 0 40 IHAB O=C(NCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)c1ccc(F)c(F)c1F 22227354 KIKBXWOAWFYPJZ-UHFFFAOYSA-N 440.487 3.687 0 40 IHAB COc1ccc(-c2nc(CN3CCN(C(=O)c4ccc(Cl)nc4)CC3)cs2)cc1 22309761 FDBLPRPCZPZQRJ-UHFFFAOYSA-N 428.945 3.825 0 40 IHAB CCOc1ccc(CNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2cccs2)cc1 22396017 KIHZWVCGHYCRET-UHFFFAOYSA-N 448.541 3.798 0 40 IHAB CC(C)(C)c1cc(NC(=O)Cc2cccc(C(F)(F)F)c2)n([C@H]2CCS(=O)(=O)C2)n1 22406847 XBCSGIDPXBYGKI-HNNXBMFYSA-N 443.491 3.740 0 40 IHAB Cc1ccc(Cc2nn3c(SCC(=O)N(c4ccccc4)C(C)C)nnc3nc2O)cc1 22721019 NBTCNCSBTCVOKL-UHFFFAOYSA-N 448.552 3.658 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc1C 25561364 NXFSOXIROXKXKM-UHFFFAOYSA-N 427.595 3.933 0 40 IHAB O=C(Nc1ccc(-n2ccnc2)nc1)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1 28094105 JLPWMYBESNIWER-IBGZPJMESA-N 425.492 3.911 0 40 IHAB COc1cc(OC)cc([C@@H](NC(=O)NCCc2ccc(Cl)cc2)c2nccn2C)c1 29317230 IMFKPFFKEOPWHC-HXUWFJFHSA-N 428.920 3.722 0 40 IHAB Cc1ccc2c(c1)C(=O)N(CCCC(=O)N1CCC[C@H]1c1ccc3c(c1)OCCCO3)C2=O 29797645 OAVNRKQOPIAETF-NRFANRHFSA-N 448.519 3.896 0 40 IHAB Cc1c(C(=O)N(C)C[C@@H]2COc3ccccc3O2)cnn1-c1ccc(C(F)(F)F)cn1 30851987 DPLNZNPTOUJISB-OAHLLOKOSA-N 432.402 3.507 0 40 IHAB O=C(NCCNC(=O)c1cccnc1Sc1ccc(Br)cc1)c1ccco1 31051771 KCUBVZISQKSABL-UHFFFAOYSA-N 446.326 3.748 0 40 IHAB COc1ccc(NC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2C)cc1Cl 32604123 DLUXSPNXKTXAQI-UHFFFAOYSA-N 448.932 3.892 0 40 IHAB COc1ccc([C@H](CNC(=O)c2cc(-c3ccc(C)c(C)c3)on2)N2CCOCC2)cc1 32623326 TZEKIPRAEGVTLE-QHCPKHFHSA-N 435.524 3.770 0 40 IHAB CCOc1cc2c(cc1CNC(=O)C1CCN(C(=O)c3ccccc3C)CC1)O[C@H](C)C2 32741042 JAVOYNGEAVQOTK-GOSISDBHSA-N 436.552 3.886 0 40 IHAB Cc1noc(C)c1S(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 32815219 TZXKGKWPSBXOLX-OAHLLOKOSA-N 432.329 3.780 0 40 IHAB O=C(N[C@H]1CCc2ccccc21)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 32843582 OFWYYGXBKFBCHV-FQEVSTJZSA-N 436.489 3.633 0 40 IHAB C[C@@H](Oc1cccc(C(=O)NCc2ccccc2)c1)C(=O)Nc1ccc2c(c1)OCCO2 32957537 FZYYASNTSUFXQV-QGZVFWFLSA-N 432.476 3.794 0 40 IHAB CC(=O)Nc1ccc(NC(=O)CCCc2nc(-c3cc4cc(C)ccc4[nH]c3=O)no2)cc1 33013781 UHXAOBRBAYYWNA-UHFFFAOYSA-N 445.479 3.806 0 40 IHAB COc1ccc(C(=O)N2CC[C@]3(O)CCCC[C@H]3[C@@H]2c2ccc(O)c(OC)c2)c(OC)c1 33697994 IPZLNMQUSXRPEM-BFMBIBTESA-N 441.524 3.927 0 40 IHAB COc1ccccc1-n1c(SCC(=O)NCc2cccs2)nnc1-c1cccnc1 35289199 WSMLLLZDWMHEHY-UHFFFAOYSA-N 437.550 3.808 0 40 IHAB CCOc1ccc(CNC(=O)CCn2cnc3c([nH]c4ccc(C)cc43)c2=O)cc1OCC 35424195 GEMJYKYWHSAGBM-UHFFFAOYSA-N 448.523 3.690 0 40 IHAB CCc1nn2c(ncc3c(=O)n(NC(=O)c4ccc(F)cc4)ccc32)c1-c1ccc(F)cc1 40396860 UFLFMPRSASVABL-UHFFFAOYSA-N 445.429 3.936 0 40 IHAB COc1ccc(NC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)cc1OCc1ccncc1 48248471 BKZMRYFWBPTVKJ-IBGZPJMESA-N 438.528 3.536 0 40 IHAB CCOc1ccc(Cn2c(=O)c3sccc3n(CC(=O)Nc3cccc(C)c3)c2=O)cc1 57428063 AGUKFMCHEOMWIJ-UHFFFAOYSA-N 449.532 3.619 0 40 IHAB CN(C)C(=O)C1(Cc2ccccc2-c2cccs2)CCN(C(=O)c2cnccn2)CC1 72345060 TXXCLMOBXRBVAL-UHFFFAOYSA-N 434.565 3.758 0 40 IHAB O=C(C1CCCCC1)N1CCC[C@H](c2nc(N3CCOCC3)ncc2-c2ccncc2)C1 72348025 VPPVKWVPRDVQCO-NRFANRHFSA-N 435.572 3.662 0 40 IHAB Cc1cc(C)n2nc(CC(=O)Nc3ccc(OC(F)(F)F)cc3Br)nc2n1 95975624 MUIBOJDENGTDHS-UHFFFAOYSA-N 444.211 3.583 0 40 IHAB CCOc1ccc(/C=C2/SC(=O)N(CCNC(=O)c3cccs3)C2=O)cc1OC 96593055 QTPBQJFAPNGPNG-SFQUDFHCSA-N 432.523 3.622 0 40 IHAB CCOC(=O)c1c(NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)sc2c1CC[C@H](C)C2 103157505 JFYNDMLYDBQILR-RRFJBIMHSA-N 446.569 3.553 0 40 IHAB CCCNC(=O)[C@@H]1CN(CC(=O)N[C@H](c2ccccc2)c2cccs2)c2ccccc2O1 103425050 XOPLEFXKOPWWSC-XUZZJYLKSA-N 449.576 3.748 0 40 IHAB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccc4c(c3)C(=O)N(C)C4=O)o2)cc1C 107589407 OKXDNYZWNIZXHQ-UHFFFAOYSA-N 433.489 3.916 0 40 IHAB CCOc1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2)c1 113948829 LYOUDSFCAVXZCL-UHFFFAOYSA-N 436.961 3.919 0 40 IHAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H](C)N(c1cccc(F)c1)S(C)(=O)=O 220489094 FUMBSPRLRJMKAY-DNVCBOLYSA-N 434.533 3.707 0 40 IHAB CC[C@@H](C(=O)NCCC1=CCCCC1)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 220758432 YCFGOTXVEPXBEG-KRWDZBQOSA-N 428.982 3.900 0 40 IHAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1ccc(C)cc1 222537830 FFXWZRMIRMAOKX-DEOSSOPVSA-N 434.511 3.899 0 40 IHAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2nc(-c3ccccc3)no2)c1 222589086 YUQBPZIWQPNUSW-ZHZULCJRSA-N 428.448 3.725 0 40 IHAB COc1ccc(CN(C(=O)CCc2ccccc2)[C@@H](C)C(=O)NCc2cccnc2)cc1 222994023 HLZJUYVWZVWDNE-FQEVSTJZSA-N 431.536 3.757 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)N[C@@H]1CCCc2ccccc21 223279640 VWOBQUGQJNXATG-JOCHJYFZSA-N 442.581 3.606 0 40 IHAB COC(=O)c1cc(NC(=O)CSCc2ccc(Cl)cc2F)cc(C(=O)OC)c1 223371880 MZWPQDFTNNZFQS-UHFFFAOYSA-N 425.865 3.924 0 40 IHAB COCc1cccc(NC(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccccc2)c1 223487803 QEOYVOXMZAITTJ-UHFFFAOYSA-N 440.521 3.676 0 40 IHAB CCc1ccc(N(CC(=O)NCCOc2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1 223786769 LQJSLJRYCWDRSD-UHFFFAOYSA-N 432.586 3.508 0 40 IHAB CN(c1ccc(C(=O)NCCCN2CCCCCC2)cc1)S(=O)(=O)c1cccs1 224184332 KTFOACJCJJMAMR-UHFFFAOYSA-N 435.615 3.569 0 40 IHAB CCN(Cc1ccc(C(=O)NCc2ccc(F)cc2)cc1)S(=O)(=O)c1ccccc1 224450243 YMWPGDWHHDEIMW-UHFFFAOYSA-N 426.513 3.967 0 40 IHAB CC(C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc2c(c1)OCO2 224641186 XEMKUQYFHAVGMH-INIZCTEOSA-N 430.932 3.943 0 40 IHAB COc1ccc(N2CC[C@@](C)(C(=O)Nc3ccc(OC(F)(F)F)cc3)S2(=O)=O)cc1 225950264 UZFAUZGTGYCXFP-SFHVURJKSA-N 444.431 3.531 0 40 IHAB CNS(=O)(=O)c1ccc(CCC(=O)Nc2c(C)cc(Br)cc2C)cc1 226050880 SWAOBYGZAMSJLH-UHFFFAOYSA-N 425.348 3.545 0 40 IHAB CCCN1CCN(C(=O)c2cc(C(C)C)n[nH]2)[C@@H](Cc2cccc(-c3ccncc3)c2)C1=O 257211092 BXMCAOXOAFCNJF-DEOSSOPVSA-N 445.567 3.901 0 40 IHAB CC(C)NC(=O)C1(Cc2cccc(-c3ccncc3)c2)CCN(C(=O)c2cnccn2)CC1 257255631 KIGGISJJZZRSJF-UHFFFAOYSA-N 443.551 3.528 0 40 IHAB CNC(=O)[C@@]1(c2ccccn2)CCCN(C(=O)C2(c3ccc(OC)cc3)CCCCC2)C1 257298058 RJYGMZMHUKQKCD-SANMLTNESA-N 435.568 3.599 0 40 IHAB CC(C)n1nccc1[C@@H]1CN(CC2CCCC2)C[C@]12OCCN(Cc1ccccc1)C2=O 306138722 SFRIYXKTQZIBOJ-OZXSUGGESA-N 436.600 3.851 0 40 IHAB COc1ccc(CN(C)S(=O)(=O)c2ccc(OC)c(NC(=O)c3ccccc3)c2)cc1 408585047 BDXJBFYBUVMKDW-UHFFFAOYSA-N 440.521 3.777 0 40 IHAB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1cccs1 408656519 SVDVEJBYQCOCFS-HOTGVXAUSA-N 430.913 3.817 0 40 IHAB CS(=O)(=O)N(CCCC(=O)Nc1ccc(Cl)cc1Cl)c1ccc2c(c1)OCO2 408705206 ZSEHLQJFGWEVHD-UHFFFAOYSA-N 445.324 3.907 0 40 IHAB COc1ccccc1/C=[N+]1\NC(=O)[C@@H](NC(=O)c2ccc(C)cc2)[C@H]1c1ccc(Cl)cc1 409059045 QQLKESJOFZBTMK-LMOLPZMTSA-O 448.930 3.673 0 40 IHAB COc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(C(C)C)cc3)[C@@H]2c2ccccc2)cc1 409066955 IHRIALVAEYOSCH-HCOVDNQSSA-O 442.539 3.835 0 40 IHAB CC(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(Br)cc2)cc1 409206096 HPXXAMJGXCVVEL-UHFFFAOYSA-N 425.348 3.707 0 40 IHAB Cc1ncc(Nc2cncc(C3CCN(CC(=O)Nc4c(F)cccc4F)CC3)n2)s1 585263363 FTYAAPSFFTUORO-UHFFFAOYSA-N 444.511 4.081 0 40 IHAB Cc1cncc(C(=O)N2CCC[C@@]3(CCCCc4ccccc4OCCN(C)C3=O)C2)c1 643561580 SWLKYYBHHRRNMN-SANMLTNESA-N 435.568 3.876 0 40 IHAB CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)c1ccccc1NCc1ccccc1)CC2 677891070 GVKXCPUEYFAMAV-UHFFFAOYSA-N 435.549 3.752 0 40 IHAB Cc1ccc(CN2CCC3(CC2)[C@@H](C(=O)N2CCC2)c2ccccc2C(=O)N3C(C)C)cn1 1549167467 PAOWTGAVQSWIDU-XMMPIXPASA-N 446.595 3.605 0 40 IHAB COc1ccc(C(=O)N2CCN(C(C)=O)[C@@H](c3ccccc3)C2)cc1NCc1ccncc1 1848352723 CGKLSJMVYHCKBQ-XMMPIXPASA-N 444.535 3.748 0 40 IHAB O=C(COc1ccc(Br)cc1Br)Nc1ccc2c(c1)OCO2 846536 BJSWWYUURFKQPW-UHFFFAOYSA-N 429.064 3.958 0 40 IHAB C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](CNC4CCN(Cc5ccccc5)CC4)[C@H]3[C@@H](O)[C@@]21C 8917847 NILKEYZRQOIGIQ-UZVXBKDWSA-N 438.612 3.526 0 40 IHAB CSc1nc(NC(C)C)c2cnn(CCNC(=O)c3ccc(C(F)(F)F)cc3)c2n1 8941574 HUGJLDSJBWFDSX-UHFFFAOYSA-N 438.479 3.817 0 40 IHAB CNC(=O)NC(=O)[C@@H](C)Sc1nc(-c2ccc(Br)cc2)nc2ccccc12 8985171 QLLGHOQSOKIJMQ-LLVKDONJSA-N 445.342 3.996 0 40 IHAB Cc1ccccc1N(C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)c1nc2ccccc2s1 9349110 LBOIVPDMVGLXAL-HSZRJFAPSA-N 434.521 3.990 0 40 IHAB CCN(c1ccc(C)cc1)S(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1 9405019 XSJXXEHYTRULPX-UHFFFAOYSA-N 436.946 3.967 0 40 IHAB COc1ccc2c(C)c(CC(=O)N3CCN(c4nsc5ccccc45)CC3)c(=O)oc2c1 9435301 GIINIAMEMHOIBN-UHFFFAOYSA-N 449.532 3.611 0 40 IHAB COc1ccc(NS(=O)(=O)c2cc(OC)ccc2NC(=S)Nc2cccnc2)cc1 9439720 CZJCUHIIIZLSEP-UHFFFAOYSA-N 444.538 3.709 0 40 IHAB O=C(COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)NCCC1=CCCCC1 9580043 RBSYPPFENXCOGV-QHCPKHFHSA-N 434.536 3.578 0 40 IHAB CC[C@@H](C)N(C(=O)CSc1nc2cc(Cl)ccc2s1)[C@H]1CCS(=O)(=O)C1 9665755 JJOLBJYXRUYBPH-YPMHNXCESA-N 433.020 3.856 0 40 IHAB COc1ccc(C(=O)N2N=C(c3cccc(NS(C)(=O)=O)c3)C[C@H]2c2ccco2)cc1 9673769 PEELCYXAXVUDJM-FQEVSTJZSA-N 439.493 3.651 0 40 IHAB Cc1cc(S(=O)(=O)NC[C@@H](c2cccs2)S(=O)(=O)c2ccccc2)ccc1F 9741703 CJMWGXPOAYBOIL-IBGZPJMESA-N 439.555 3.689 0 40 IHAB COC(=O)c1ccc2c(=O)n(Cc3ccccc3Cl)c(S[C@H](C)C(=O)OC)nc2c1 10783875 VGDBMEAFOIHCMV-GFCCVEGCSA-N 446.912 3.538 0 40 IHAB CCCCOc1ccc(C(=O)NCC(=O)NCc2c(C)nn(Cc3ccccc3)c2C)cc1 10904851 ZRXQGBFJPRQICD-UHFFFAOYSA-N 448.567 3.773 0 40 IHAB Cc1cc(O[C@H](C)C(=O)N[C@H](C(=O)O)c2ccccc2)c2c3c(c(=O)oc2c1)CCCC3 11866841 YXBWADHCHFVGLL-QRQCRPRQSA-N 435.476 3.690 0 40 IHAB CC[C@@H]1CO[C@H](c2cccc(OC)c2)c2c3c(c(-c4ccccc4)n21)c(=O)n(C)c(=O)n3C 12419165 KWTCLVGDXDUYKP-HOYKHHGWSA-N 445.519 3.785 0 40 IHAB CNC(=O)NC(=O)[C@H](Nc1ccc(C(=O)Nc2ccc(OC)cc2)cc1)c1ccccc1 12553118 CLGMNXSSZOIVAG-OAQYLSRUSA-N 432.480 3.556 0 40 IHAB COc1ccc(OC[C@H](O)Cn2cnc3scc(-c4ccc(F)cc4)c3c2=O)cc1 12761698 VXKXIRRLGIUTFV-MRXNPFEDSA-N 426.469 3.713 0 40 IHAB COCCN(Cc1nnc(-c2cccs2)o1)[C@@H](C)C(=O)Nc1ccc2c(c1)CCC2 12851670 UOGFMGDINNSDGX-HNNXBMFYSA-N 426.542 3.762 0 40 IHAB CCOC(=O)c1sc(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)nc1C 13147898 QLBXGTASFVWELL-UHFFFAOYSA-N 434.477 3.580 0 40 IHAB CC(=O)c1cccc(OCCOCCN2CCN(c3nsc4ccccc34)CC2)c1 13719896 YGSJGPORBIQNRK-UHFFFAOYSA-N 425.554 3.717 0 40 IHAB COc1ccccc1N(CC(=O)Nc1cccc(F)c1)S(=O)(=O)c1ccc(C)cc1 14357068 WXIYXJAMXLHBRK-UHFFFAOYSA-N 428.485 3.977 0 40 IHAB O=C(c1ccc(CS(=O)(=O)c2ccccc2)o1)N1CCN(c2ccccc2Cl)CC1 15586235 BCEZJPVYTXNYOQ-UHFFFAOYSA-N 444.940 3.869 0 40 IHAB COc1ccc(C(=O)NC[C@H](c2cccs2)S(=O)(=O)c2ccc(OC)cc2)cc1 15780731 XMVIWFFABZTNDE-HXUWFJFHSA-N 431.535 3.710 0 40 IHAB COc1ccc(S(=O)(=O)[C@H](CNC(=O)c2cccc(OC)c2)c2cccs2)cc1 15780885 GLGWBVMSQRAJJZ-HXUWFJFHSA-N 431.535 3.710 0 40 IHAB COC(=O)c1ccc(C)c(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)c1 15922692 CQTZGYQIORJGKG-UHFFFAOYSA-N 442.468 3.974 0 40 IHAB COc1ccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c(OC)c1 16740062 MNDAGLLWLLYKNA-QHCPKHFHSA-N 444.491 3.665 0 40 IHAB COc1cc(C)ccc1OCC(=O)N1CCC([C@@H]2C[C@H](C(F)F)n3nc(C)cc3N2)CC1 19134179 XWBLGNQWTBJVHT-ZWKOTPCHSA-N 448.514 3.817 0 40 IHAB Cc1ccc(C(=O)N2CC[C@H]3[C@@H](C2)[C@H](c2ccc(F)cc2)CN3C(=O)c2ccccn2)cn1 19214909 GJEKNQZOOUBLGX-FIXSFTCYSA-N 444.510 3.695 0 40 IHAB CC(C)N1CCc2nc3cc([C@H]4CCCCN4C(=O)c4cccc(F)c4)nn3c(O)c2C1 19448063 QKZLJKQMHVUTGF-OAQYLSRUSA-N 437.519 3.708 0 40 IHAB CS(=O)(=O)N1CCCC[C@@H]1c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 19572403 OZKBKCFCWQDTHE-CYBMUJFWSA-N 430.477 3.963 0 40 IHAB COc1cccc(CN2CCO[C@@](Cc3cccc(-c4cccnc4)c3)(C(=O)N(C)C)C2)c1 19580881 SERSEOPHHJDWDV-HHHXNRCGSA-N 445.563 3.659 0 40 IHAB COc1ccc(NC(=O)[C@H]2C[C@@H](C3CCN(Cc4cccc(OC)c4)CC3)N(C)C2)cc1 19587700 FUEYDAISFXSBBV-OFVILXPXSA-N 437.584 3.875 0 40 IHAB COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CCCN2C(=O)COc2ccccc2)c1 19689591 YQPMYWANCSGXLK-QFIPXVFZSA-N 432.524 3.961 0 40 IHAB Cc1cc(C)n(CC(=O)N2CCC[C@@H](c3ccc(C(=O)Nc4ccc(F)cc4)cn3)C2)n1 19705593 QZGJTFNUAOVXOR-LJQANCHMSA-N 435.503 3.693 0 40 IHAB O=C(Nc1nccs1)c1cc([C@H]2CCN(C(=O)c3ccncc3)C2)nc2ccccc12 19754897 YJZDHHYCWHPAAU-INIZCTEOSA-N 429.505 3.968 0 40 IHAB COc1ccc(Cl)cc1N([C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1)S(C)(=O)=O 20045078 MPAGMPLWZXCXEA-STQMWFEESA-N 428.913 3.520 0 40 IHAB Cc1cccc(CCCNC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)c1 20491863 SHNYPLWJFJPCDD-UHFFFAOYSA-N 449.016 3.939 0 40 IHAB COc1ccccc1NC(=O)c1nnc2c(-c3ccc(OC)c(OC)c3)c(C)nn2c1C 20633575 ADOFJSXVPQYLCK-UHFFFAOYSA-N 433.468 3.686 0 40 IHAB CCN1C(SCC(=O)Nc2cc(Cl)ccc2OC)=NS(=O)(=O)c2ccccc21 21657805 CFEWFCHYZDKDGQ-UHFFFAOYSA-N 439.946 3.605 0 40 IHAB CN(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1 22377995 RYHXRBJSWMNDJA-UHFFFAOYSA-N 430.476 3.819 0 40 IHAB O=C(NCC1(N2CCOCC2)CCCCC1)c1cccc(NC(=O)c2cccs2)c1 22462447 VGLMPACYSZKHQW-UHFFFAOYSA-N 427.570 3.765 0 40 IHAB O=C(CN1CCN(Cc2ccc3c(c2)CCO3)CC1)N(Cc1ccco1)C1=CCCCC1 22799561 UHTJQRCUIXIYFA-UHFFFAOYSA-N 435.568 3.819 0 40 IHAB O=C(CN1CCN(Cc2ccc(Cl)s2)CC1)Nc1ccc(CN2CCCC2)cc1 22801402 QWFVFEVTRFCPHC-UHFFFAOYSA-N 433.021 3.754 0 40 IHAB C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 22920926 QJUKQMSXZFNURU-AWEZNQCLSA-N 436.339 3.867 0 40 IHAB CC(=O)Nc1cccc(-n2c(SCc3csc(NC(C)=O)n3)nnc2C2CC2)c1 26136661 PVAPONVKBFDPCV-UHFFFAOYSA-N 428.543 3.810 0 40 IHAB COc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=S)N=C3O)cc2OC)cc1 26464683 UDNZZVOMNOFAML-YBEGLDIGSA-N 437.520 3.801 0 40 IHAB CC[C@@H](C)n1nccc1NC(=O)[C@@H](C)OC(=O)C1=NN(c2cc(C)ccc2C)C(=O)CC1 32670043 HTBGNLAMGRIYMD-IAGOWNOFSA-N 439.516 3.524 0 40 IHAB COc1cccc(OCCOc2ccc(/C=c3/sc4nc5ccccc5n4c3=O)cc2)c1 33888536 BULYABWVNGTZLO-HZHRSRAPSA-N 444.512 3.923 0 40 IHAB Cc1ccc([C@@H](c2nnnn2C[C@H]2CCCO2)N2CCN(c3cc(C)ccc3C)CC2)cc1 35312566 BWHHASODGKERAT-NOZRDPDXSA-N 446.599 3.689 0 40 IHAB CCn1ncc(-c2noc3nc(C4CC4)cc(C(=O)NCCn4nc(C)cc4C)c23)c1C 36618904 ONMJYXQFXJDHEZ-UHFFFAOYSA-N 433.516 3.535 0 40 IHAB Cc1cccc(Nc2nnc(S[C@@H](C(=O)N3CCC(C(N)=O)CC3)C(C)C)s2)c1C 40050906 OZZGMTJFYWWUOW-QGZVFWFLSA-N 447.630 3.739 0 40 IHAB COc1cc(OC)cc(-c2nnc3sc([C@H](C)n4cc(Br)c(C)n4)nn23)c1 40266919 QQDDYJJLIBEGMT-JTQLQIEISA-N 449.334 3.747 0 40 IHAB CCc1ccc(-c2ccc(=O)n(CCC(=O)NCc3ccc(Br)cc3)n2)cc1 41253986 KAWPHXINUKRIRI-UHFFFAOYSA-N 440.341 3.942 0 40 IHAB CCOC(=O)c1cc(NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)ccc1Cl 44901374 BGXBFQXCCYPLGR-UHFFFAOYSA-N 445.324 3.575 0 40 IHAB C[C@@H](Cn1nc(-c2ccco2)ccc1=O)C(=O)NCCc1csc(-c2ccccc2)n1 61984074 NRHHGCHOSAJJBK-INIZCTEOSA-N 434.521 3.622 0 40 IHAB CCc1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3NC(C)=O)c(O)n2)cc1 64774872 BMXDLPXQBCBAMG-UHFFFAOYSA-N 437.525 3.804 0 40 IHAB O=C(NC[C@H]1CCCO1)c1cc2cc(Cl)ccc2o/c1=N\c1ccc2c(c1)OCCO2 67292865 OQVPKCHHNLYNDG-PIHGLKBESA-N 440.883 3.999 0 40 IHAB Cc1c(C(=O)N(C)Cc2ccco2)nnn1-c1cccc2c1CCN(Cc1ccccc1)C2 69981778 CYMJZFHJLGRMEE-UHFFFAOYSA-N 441.535 3.999 0 40 IHAB O=C([C@H]1CCCN(c2cc(-n3cccn3)ncn2)C1)N(Cc1ccccc1)c1ccccn1 70638100 HDSFZCOIEQTPRF-NRFANRHFSA-N 439.523 3.507 0 40 IHAB O=C(NCCn1cnc(-c2ccccc2)cc1=O)c1cc(Br)ccc1Cl 70655809 QPUKGUBZKUQVEZ-UHFFFAOYSA-N 432.705 3.756 0 40 IHAB CCCc1ccc(C(=O)N2CCC3(CC2)C[C@]2(CO3)NC(=O)c3cc(Cl)ccc3N2)o1 72325539 AWPOFMPBVBIOIZ-HSZRJFAPSA-N 443.931 3.832 0 40 IHAB O=C(CN1CCC[C@@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1)N1CCOCC1 72357638 UFJNYJISLCKZFS-OAQYLSRUSA-N 433.474 3.687 0 40 IHAB O=C([C@@H]1CCCN(c2ccc(Cl)nn2)C1)N1CCC(O)(c2ccc(Cl)cc2)CC1 80328311 ZZDYOAOQXSHBDJ-OAHLLOKOSA-N 435.355 3.510 0 40 IHAB O=C1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)c2cc(Br)ccc2N1 97101391 BKAITWQEIJLRHG-UHFFFAOYSA-N 435.221 3.615 0 40 IHAB Cc1ccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)C(=O)c2ccccc2)c(C)c1 100396481 UBRRSJSTZHOYAV-XPUPLBFISA-N 426.516 3.961 0 40 IHAB CN1C(=O)[C@@]2(Nc3ccccc3C(=O)N2C[C@@H](c2cccs2)N(C)C)c2ccccc21 101643052 CJWHWJASGPDMJK-GBXCKJPGSA-N 432.549 3.748 0 40 IHAB COc1cccc(N(C(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c2nc3ccccc3s2)c1 102305729 GDKOTNQVBOOKBC-HDICACEKSA-N 447.516 3.921 0 40 IHAB O=C(c1ccccc1)[C@@H]1[C@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN12 103510628 DUBAAHJGMOUHKK-GPJHCHHRSA-N 439.446 3.587 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3CCc3ccccc3)CC2)cc1 219003172 OQDTZZVQYWSVAD-UHFFFAOYSA-N 448.588 3.927 0 40 IHAB Cc1noc(C)c1-c1cc([C@@](O)(c2cccnn2)[C@H]2CCCO2)c2nc(C3CC3)[nH]c2c1 219392425 NOLOEUZMYMVHJL-HYBUGGRVSA-N 431.496 3.917 0 40 IHAB CC[C@H](C(=O)NCCCc1ccccc1OC)N(c1cc(C)ccc1C)S(C)(=O)=O 220548304 JFJAPJXWUOIDCN-HXUWFJFHSA-N 432.586 3.606 0 40 IHAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(OC)cc1 223630490 FYDYVCGTLLZSOD-JOCHJYFZSA-N 442.556 3.805 0 40 IHAB COc1ccc(S(=O)(=O)Nc2cccc(C(=O)N(C)Cc3cccc(F)c3)c2)cc1 224098147 WEFQXSICCBXKKJ-UHFFFAOYSA-N 428.485 3.907 0 40 IHAB O=C(/C=C/c1ccccc1Cl)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1 224353730 SMYBPZOUNDQAJT-MDWZMJQESA-N 448.972 3.723 0 40 IHAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)N3CCCC(C)(C)C3)cc2)cc1 224441364 FSEPQUALWLHUFI-UHFFFAOYSA-N 430.570 3.778 0 40 IHAB CCOC(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(OC)c(OC)c1 224803035 AODFWKTXCKXHGY-UHFFFAOYSA-N 448.324 3.769 0 40 IHAB Cn1c(=O)n(C)c2cc(CN3CCC(c4cccc(Nc5ccccn5)n4)CC3)ccc21 257201061 AGAPKTMWSRCSHY-UHFFFAOYSA-N 428.540 3.790 0 40 IHAB COc1ccc(NC(=O)CN2CCO[C@H](c3ccc(Nc4cccc(C)n4)cn3)C2)cc1 257323466 WKGXZNRXZVYAAQ-QFIPXVFZSA-N 433.512 3.549 0 40 IHAB CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1 408535174 VBNZIJONEDTIFD-UHFFFAOYSA-N 441.347 3.545 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(F)cc2F)CC1 408593931 QRENDEJQRAEHHB-UHFFFAOYSA-N 444.887 3.666 0 40 IHAB Cc1ccc(C)n1NC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 408683207 KTHURHUNTHOBMK-SFHVURJKSA-N 434.471 3.620 0 40 IHAB Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C2\C(=O)Nc3ccccc32)C1=O 409350523 UBHRESOMZNPXBT-MSUUIHNZSA-N 427.869 3.646 0 40 IHAB COc1cc(Cc2noc(CCCOc3ccccc3Cl)n2)ccc1S(C)(=O)=O 545693071 LPHGGGOHXJNGSI-UHFFFAOYSA-N 436.917 3.738 0 40 IHAB CCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCC(N(C)CC(=O)O)CC2)cc1 570381428 GZYVNBLRZSUWMW-UHFFFAOYSA-N 446.551 3.723 0 40 IHAB Cc1nc(-c2cccc(NC(=O)c3cccc(NC(=O)[C@@H]4Cc5ccccc5O4)c3)c2)n[nH]1 617163982 XYISMMJIIZPZOV-QFIPXVFZSA-N 439.475 3.975 0 40 IHAB CCOc1cccc(CCn2c(CN3CCCC3=O)nnc2N2CCC[C@H](CC)C2)c1 1547984339 LZCPFGRKKMYXRB-IBGZPJMESA-N 425.577 3.668 0 40 IHAB COc1cccc([C@H]2CN(Cc3ccccc3)[C@@H]3CCN(C(=O)[C@H](C)N4CCCC4)C[C@H]23)c1 1848351919 FXEHVJZQQDAZLM-IZIBRLFBSA-N 447.623 3.996 0 40 IHAB COc1cc(OC)c([C@@H]2SCCN2C(=O)c2cc3ccccc3oc2=O)cc1OC 855095 MFWJJNYHYCJYFP-NRFANRHFSA-N 427.478 3.707 0 40 IHAB CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccccc2)cc1 1003874 KZECXBUILGMOES-UHFFFAOYSA-N 425.535 3.639 0 40 IHAB aggregator O=c1[nH]c2cc(Cl)c(S(=O)(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2o1 1068243 FVXXFQPDGPGXCO-UHFFFAOYSA-N 425.196 3.743 0 40 IHAB biogenic COc1ccc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)Nc3nnnn32)cc1Br 1291832 ZSNGYJXAGQCRGG-QGZVFWFLSA-N 448.321 3.609 0 40 IHAB COc1ccc2cc(CN(C[C@H]3CCCO3)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2c1 1327511 JQNGZIVZYRIFPB-HXUWFJFHSA-N 425.460 3.889 0 40 IHAB CCOC(=O)c1csc(N2N=C(/C=C/c3ccccc3O)C[C@@]2(O)C(F)(F)F)n1 1419327 KUBZHPLMZCIBGK-IWAYRVGRSA-N 427.404 3.556 0 40 IHAB Cc1c(CCC(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)c(=O)oc2c(C)c(O)ccc12 2152829 VXXBLFBJVYFOLM-UHFFFAOYSA-N 449.503 3.693 0 40 IHAB biogenic Cc1c(Cl)cccc1N(CC(=O)NCc1ccncc1)S(=O)(=O)c1ccccc1 8662391 HUZLXYNXWNKPHG-UHFFFAOYSA-N 429.929 3.555 0 40 IHAB COc1ccc(-c2noc(CSc3nnc(-c4ccc5c(c4)OCCO5)n3C)n2)cc1 9096192 GXXXWFACEQWOOM-UHFFFAOYSA-N 437.481 3.604 0 40 IHAB CCCOc1ccccc1NC(=O)[C@@H]1CC(=O)n2c(nnc2-c2ccc(OC)cc2)S1 9119661 NMODKKKXKDUSKH-SFHVURJKSA-N 438.509 3.886 0 40 IHAB CCn1c(CN(Cc2ccc(F)cc2)C2CC2)nc2cc(S(=O)(=O)N(C)C)ccc21 9201885 NHNAJUSZCJPBQR-UHFFFAOYSA-N 430.549 3.610 0 40 IHAB Cc1ccc(C(=O)NCCCNC(=O)c2ccc(-c3ccc(Br)cc3)o2)cn1 9227306 GZEWQAKXHFMZLR-UHFFFAOYSA-N 442.313 3.962 0 40 IHAB CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1ccc2c(c1)OCO2 9263527 MVMNZXVLEBKWPF-UHFFFAOYSA-N 440.525 3.953 0 40 IHAB COc1ccc(C(=O)Nc2nc3c(s2)CC[C@H]3C(=O)NCc2ccc(F)cc2)cc1 9301326 DNXXCGRKBNLCMA-QGZVFWFLSA-N 425.485 3.889 0 40 IHAB Cn1c(CCC(=O)Nc2ccccc2Cl)nnc1SCC(=O)NC1CCCCC1 9328987 BSMFFPINUUFKPG-UHFFFAOYSA-N 435.981 3.581 0 40 IHAB COc1ccc(F)cc1C(=O)CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O 9502358 RTZRRHDJHRGNJV-RUZDIDTESA-N 432.451 3.707 0 40 IHAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)N[C@@H](C)c3ccccc3)Oc3ccccc32)cc1 9699487 DUBOTSJVRWTKIM-FDDCHVKYSA-N 436.533 3.829 0 40 IHAB C[C@@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)N2CCC(Cc3ccccc3)CC2)C1=O 9780987 ZBXJOAKMPOHIFO-SANMLTNESA-N 445.519 3.681 0 40 IHAB O=C(NCCCN1CCCCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 10111270 ONLHQKHMLWKQJM-UHFFFAOYSA-N 442.025 3.511 0 40 IHAB Cc1ccc([C@@H](C)CCN2CCN(c3c(F)cccc3[C@H](O)c3nccn3C)CC2)o1 12143403 VHJGYNMETPVMRE-SBUREZEXSA-N 426.536 3.858 0 40 IHAB CCCS(=O)(=O)Nc1cccc(C(=O)N2CCC[C@H]2c2ccc(OC)c(OC)c2)c1 12526274 VYHJUXJVFYYJMM-IBGZPJMESA-N 432.542 3.833 0 40 IHAB C[C@H](CNS(=O)(=O)c1ccc(CCC(=O)O)cc1)c1nc2ccccc2n1C(F)F 12549936 OKOBVHGSHRFYFH-CYBMUJFWSA-N 437.468 3.531 0 40 IHAB Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(-c3ccccc3)cc1)[C@H]1C(=O)c3ccccc3C1=N2 12582783 HUHQOMCEJDRBIJ-FGZHOGPDSA-N 447.494 3.830 0 40 IHAB CC(C)=C[C@H]1[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)C1(C)C 12789304 KVFYAAIJOIIKDG-WMZOPIPTSA-N 444.519 3.777 0 40 IHAB COc1cccc(N2C[C@H](C(=O)Nc3ncc(Cc4ccc(F)cc4)s3)CC2=O)c1 12797091 WSNWSRJTNNORRW-OAHLLOKOSA-N 425.485 3.873 0 40 IHAB C[C@H](Sc1nnc(-c2ccccc2F)n1C1CC1)C(=O)Nc1sccc1C(N)=O 12801548 CGTYOWHMUUJKBT-JTQLQIEISA-N 431.518 3.699 0 40 IHAB O=C(c1ccccc1O)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 12804844 OHYDDPOHRPKMTF-UHFFFAOYSA-N 428.554 3.587 0 40 IHAB Cc1cc(C)cc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)c1 12805889 LLFKQUKJXJMJRY-SFHVURJKSA-N 438.553 3.846 0 40 IHAB CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)c1csnn1)c1ccc(Cl)cc1 12870583 USMIUAUPVPMGIE-KRWDZBQOSA-N 429.933 3.889 0 40 IHAB CCN(CC)C(=O)CSc1nc2sc3c(c2c(=O)n1C[C@H]1CCCO1)CC[C@@H](C)C3 12906408 WRSWIVSNKNJFMW-HUUCEWRRSA-N 449.642 3.722 0 40 IHAB CN(CC(=O)Nc1ccccc1Cl)C(=O)c1ccccc1SCC(=O)N1CCCC1 12911802 HCMYMFFQHFLXKV-UHFFFAOYSA-N 445.972 3.765 0 40 IHAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(Cc2nc3ccccc3s2)CC1 12977277 NECWKLIGFAIAGD-UHFFFAOYSA-N 441.500 3.822 0 40 IHAB CC1(C)Cc2cccc(OCC(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)c2O1 13121265 QDUIAQVRDHUGIX-UHFFFAOYSA-N 444.553 3.592 0 40 IHAB COCCc1ccc(OCC(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)cc1 13134107 SXAMRFIWUXFQFV-UHFFFAOYSA-N 448.475 3.874 0 40 IHAB CCN(CC)CCNC(=O)CCN1C(=O)c2ccccc2[C@H]1c1c(C)[nH]c2ccccc12 13945797 CYOQDMYDKUUJCU-VWLOTQADSA-N 432.568 3.870 0 40 IHAB C[C@@H](NC(=O)CSc1nnc(Cc2cccs2)n1C1CC1)c1ccc2c(c1)OCO2 14109162 VABMLGCWEARRDF-CYBMUJFWSA-N 442.566 3.964 0 40 IHAB Cc1cccc2nc(C(=O)Nc3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3)cn12 16000531 RORNTCWPFFQVNY-UHFFFAOYSA-N 434.521 3.716 0 40 IHAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccc(Cn2nnc3ccccc32)cc1 16499303 AJKTVHVMNRDNFU-SFHVURJKSA-N 437.507 3.894 0 40 IHAB CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(C)cc3C)cc2)CC1 17102706 YZKVCWYXODJJBR-UHFFFAOYSA-N 438.597 3.879 0 40 IHAB O=C(NCCc1ccccn1)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 19372567 AGPBIGIMPMWEBN-DNQXCXABSA-N 431.511 3.511 0 40 IHAB CCCc1cc(C(=O)N2Cc3ccccc3OC3(CCC(N(C)C(C)=O)CC3)C2)no1 19525376 ZYLOHXJGODKZBX-UHFFFAOYSA-N 425.529 3.822 0 40 IHAB CCOc1cc([C@H](c2c(O)n[nH]c2C)c2c(C)n[nH]c2O)ccc1OC(=O)c1ccccc1 19534898 AANRBFYENZJEQU-UHFFFAOYSA-N 448.479 3.959 0 40 IHAB COc1ccc(C2(C(=O)N3CCC[C@@H](Cn4nc(-c5cccs5)ccc4=O)C3)CC2)cc1 19553628 KHQDFNCEPPELNQ-GOSISDBHSA-N 449.576 3.951 0 40 IHAB CN(C)c1ncc(-c2ccncc2)c([C@@H]2CCCCN2C(=O)COc2ccccc2F)n1 19585226 PFMBPWBCWLXIHA-FQEVSTJZSA-N 435.503 3.876 0 40 IHAB COc1ccc(CN2CCC([C@H]3C[C@H](C(=O)Nc4ccc(OC)cc4)CN3C)CC2)cc1 19587675 LPNRMLKFLUZTBF-SQJMNOBHSA-N 437.584 3.875 0 40 IHAB COC(C)(C)C(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(CC1CCCCC1)C(=O)CC2 19741967 LXZPHYVNWXBYBZ-LJQANCHMSA-N 428.577 3.733 0 40 IHAB CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cc(F)ccc2C)c(Cl)c1 20023447 STUVLJPFHREGFC-UHFFFAOYSA-N 428.913 3.883 0 40 IHAB COc1c(Br)cc(Br)cc1C(=O)Nc1ccc(O)c(C(=O)O)c1 20141297 ODHVNEGSJVODHP-UHFFFAOYSA-N 445.063 3.876 0 40 IHAB O=C(NCc1ccccc1Cl)c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1 20397453 UZGCKGJEVQPDHZ-CQSZACIVSA-N 435.958 3.555 0 40 IHAB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1)Nc1ccc2c(c1)OCO2 22386708 VBSCNNXZLXXSFC-UHFFFAOYSA-N 446.431 3.528 0 40 IHAB CCOC(=O)c1cc(NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)ccc1Cl 22520848 SBPMLOULLHZDLC-UHFFFAOYSA-N 438.933 3.538 0 40 IHAB O=C(OCCOc1ccc(F)cc1)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 22562170 PLFSGQYUYMPLAO-UHFFFAOYSA-N 440.452 3.623 0 40 IHAB COc1cc(C)c(CN2CCN([C@@H](C)C(=O)Nc3ccc(Cl)cc3)CC2)cc1OC 22921947 GCIUTFQQZFKIPH-KRWDZBQOSA-N 431.964 3.810 0 40 IHAB COc1ccc2cc([C@H](C)C(=O)NCc3ccc(C(=O)N4CCOCC4)cc3)ccc2c1 24924363 ZCMHURPSIJIFBQ-SFHVURJKSA-N 432.520 3.741 0 40 IHAB O=C(c1ccc(F)cc1)c1ccccc1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 29569426 ZGOVSQDWAHVYKH-UHFFFAOYSA-N 446.478 3.743 0 40 IHAB Cc1ccccc1NC(=O)C[C@@]12CSc3[nH]c(=O)sc3[C@H]1c1ccccc1OC2=O 32594565 HQSKUCXEUMWHEF-VGOFRKELSA-N 438.530 3.917 0 40 IHAB O=C(c1ccc(F)cc1)N1CCC[C@@H](C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)C1 32882890 XZFSTVRILHTMBB-RTBURBONSA-N 434.515 3.960 0 40 IHAB C[C@](Cc1nc2ccccc2s1)(C(=O)NCCNC(=O)c1ccco1)c1ccccc1 32908737 HSCQEPNTGKDDPG-XMMPIXPASA-N 433.533 3.936 0 40 IHAB CCOc1ccccc1C(=O)N[C@@H](C(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1)C(C)C 32970956 PKSFQCIPERBGFZ-FDDCHVKYSA-N 434.540 3.903 0 40 IHAB COc1ccccc1-c1nc(Cn2nnc(C(=O)Nc3cccc(Cl)c3)c2N)c(C)o1 33291788 CTBAWRSPFQDZPE-UHFFFAOYSA-N 438.875 3.786 0 40 IHAB Cc1cc(N(CC(=O)Nc2cccc(Cl)c2)S(C)(=O)=O)ccc1Br 33743388 VEFIZMHCVNOJAB-UHFFFAOYSA-N 431.739 3.816 0 40 IHAB CC[C@H](C)n1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c2ccccc21 35129121 MYCGNJGPUGLLFT-UZUMKDMXSA-N 427.526 3.507 0 40 IHAB COCC(=O)Nc1ccc(-c2noc([C@@H]3CCCN3Cc3cc4ccccc4o3)n2)cn1 35425701 YMRFTGHSTSHSQW-SFHVURJKSA-N 433.468 3.800 0 40 IHAB biogenic,in-vitro C[C@H]1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CCN1C(=O)OC(C)(C)C 35636619 UJHJOJIPEYCXDP-ZDUSSCGKSA-N 445.491 3.619 0 40 IHAB in-vitro COc1ccc(Cl)cc1C(=O)N1CCN(C2=NN=C(c3cccs3)CS2)CC1 36709953 VWXGZGDQNCNWAY-UHFFFAOYSA-N 434.974 3.675 0 40 IHAB CC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)Cc1ccccc1)c1ccc(Br)cc1 40156195 QRIZLGAXQYWRKH-KDOFPFPSSA-N 439.375 3.525 0 40 IHAB O=C(NCc1cccnc1OC1CCCC1)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 48231040 YEPBMRSVRXCEFB-HXUWFJFHSA-N 439.531 3.640 0 40 IHAB CCOCCOC(=O)CCc1nc2cc(C(F)(F)F)ccc2n(Cc2ccccc2)c1=O 57466496 GWNRLWJREMEVEH-UHFFFAOYSA-N 448.441 3.976 0 40 IHAB Cc1ccccc1-n1c(=O)c2sccc2n(CC(=O)Nc2ccccc2Cl)c1=O 57489618 PFWVXJFVZPSOSK-UHFFFAOYSA-N 425.897 3.814 0 40 IHAB C[C@H](NC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)c1cccc(Br)c1 58166200 TXESGCRIRJVRTP-LBPRGKRZSA-N 426.336 3.582 0 40 IHAB O=C(NCc1cccc(C(=O)N2CCCCC2)c1)NCc1cn2cc(Cl)ccc2n1 58200928 MYQRNLUFVQOIQO-UHFFFAOYSA-N 425.920 3.613 0 40 IHAB Cc1cc(NC(=O)Cn2cccc2-c2nc(-c3ccc(Br)cc3)no2)no1 67207606 DZBSAHHFGHPFFJ-UHFFFAOYSA-N 428.246 3.903 0 40 IHAB Cc1ccc(NC(=O)Cn2cnc3nc(N4CCC[C@H](C)C4)sc3c2=O)cc1Cl 67226063 PFUVWZUGGHPKEM-LBPRGKRZSA-N 431.949 3.690 0 40 IHAB CCCS(=O)(=O)N1N=C(c2ccccc2NS(=O)(=O)CC)C[C@@H]1c1ccc(C)cc1 72314464 ZSEKQBWQKWEABE-OAQYLSRUSA-N 449.598 3.648 0 40 IHAB O=C(Nc1ccc([C@H]2OCC(=O)N(Cc3ccccc3)[C@@H]2CO)cc1)c1cccc(F)c1 72321093 IRGJVWRHYONLKF-ISKFKSNPSA-N 434.467 3.539 0 40 IHAB biogenic,in-vitro Cc1cc(C)cc(O[C@@H](C)C(=O)N2CCC([C@@H]3C[C@H](C(F)F)n4ncnc4N3)CC2)c1 72395664 HOCKINJAYRCVNY-ZYSHUDEJSA-N 433.503 3.591 0 40 IHAB COc1cc(COCC2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)cc(OC)c1 77191494 DSBBNEZXEPCFRV-UHFFFAOYSA-N 437.533 3.602 0 40 IHAB O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O 84452143 XXXSECBLPLLXTN-ZDUSSCGKSA-N 436.361 3.872 0 40 IHAB COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)N[C@H]1c1ccoc1C(=O)OC 84677713 YBACMPQMGTZINI-HNNXBMFYSA-N 449.257 3.547 0 40 IHAB COCc1ccc(C(=O)N2CCC[C@@H](CN(C(=O)c3ccc(COC)o3)C(C)C)C2)o1 95979880 BUHCYXVERFZTOZ-QGZVFWFLSA-N 432.517 3.568 0 40 IHAB COc1cccc(OC[C@@H]2[C@H]3CC[C@@H](C3)N2C(=O)c2cc(OC)c(OC)c(OC)c2)c1 100112204 JAVAMLPZBFIAOI-RIFZZMRRSA-N 427.497 3.793 0 40 IHAB CC(C)[C@@H](NC(=O)Cc1ccccc1F)c1cc(O)n2nc(C3CCOCC3)cc2n1 100730023 CRLONRJVOLIYEZ-HSZRJFAPSA-N 426.492 3.524 0 40 IHAB O=C(COC(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)c1ccc2c(c1)OCCO2 101963536 QTWRJGWXERWCSP-RKOMNEFPSA-N 435.314 3.918 0 40 IHAB CC1=C[C@H]2C[C@H]1[C@@H]1C(=O)N(c3ccc(C(=O)OCC(=O)c4ccc(F)cc4)cc3)C(=O)[C@H]12 102085391 ZYNFFYIKOUYRTA-NHRGSCSFSA-N 433.435 3.567 0 40 IHAB Cc1ccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1 102086373 JMKRAVKMURHGES-AAALWKFZSA-N 426.516 3.598 0 40 IHAB Cc1cccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)C(=O)c2ccccc2)c1C 102089648 GRSGMORQJVKUDN-XPUPLBFISA-N 426.516 3.961 0 40 IHAB CCCCOC(=O)c1cccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C)cc2)c1 139101563 DUSDMWBWTKNJAO-UHFFFAOYSA-N 440.496 3.853 0 40 IHAB CC[C@H](C(=O)N[C@@H](C)COc1ccccc1C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 219123797 ARRDFNWUNRAYNY-PZJWPPBQSA-N 432.586 3.740 0 40 IHAB COc1ccc(-c2noc(CNC(=O)C3CCN(Cc4cccc(Cl)c4)CC3)n2)cc1 219412130 SLLYQSXLWPIZPJ-UHFFFAOYSA-N 440.931 3.927 0 40 IHAB CC1(C)C[C@H](NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 219756035 AWQPQNQOXYYIAF-RBUKOAKNSA-N 448.972 3.912 0 40 IHAB CC[C@@H](C(=O)N[C@H]1CC(C)(C)Oc2ccccc21)N(c1cccc(C)c1)S(C)(=O)=O 220520182 FJDOFVZVTFSSHE-PMACEKPBSA-N 430.570 3.958 0 40 IHAB COc1ccc(S(=O)(=O)NCc2ccc3ccccc3c2)cc1C(=O)N1CCCCC1 222775226 ZLEIBKKGEYLKPI-UHFFFAOYSA-N 438.549 3.953 0 40 IHAB S=C1N[C@H](c2ccccn2)[C@H](c2ccc(-c3ccccc3)o2)N1CCN1CCOCC1 223156658 ZSOCFEBTDRZOAC-PKTZIBPZSA-N 434.565 3.646 0 40 IHAB Cc1ccc(N(CC(=O)NCCOCc2ccccc2)S(=O)(=O)c2ccccc2)cc1 223464929 RBMSDCCTJRPTEJ-UHFFFAOYSA-N 438.549 3.523 0 40 IHAB CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN1C(=O)c2cccc3cccc1c23 223572296 METHPYPBDOYVES-SFHVURJKSA-N 429.520 3.662 0 40 IHAB CCCSc1nnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)s1 223669018 QMCCLDPAKYBWAG-UHFFFAOYSA-N 447.007 3.730 0 40 IHAB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(OC)cc1 224903888 AJFVDHJMJKERON-QHCPKHFHSA-N 426.557 3.826 0 40 IHAB CCn1c(=O)sc2cc(NC(=O)CCCN(c3ccccc3C)S(C)(=O)=O)ccc21 225117930 GVICCPFGGBJEOJ-UHFFFAOYSA-N 447.582 3.576 0 40 IHAB CC[C@H](NC(=S)Nc1ccc(C)c(N2CCCC2=O)c1)c1ccc(S(C)(=O)=O)cc1 225725501 GLEMHQRPDDMQCD-IBGZPJMESA-N 445.610 3.963 0 40 IHAB CCN1CCN(C(=O)c2cccnc2O)C[C@H](Cc2ccccc2-c2ccc(C)cc2)C1=O 257203491 AQHYVNYJSIYKSO-QFIPXVFZSA-N 443.547 3.926 0 40 IHAB C[C@]12C[C@@H](Cc3ccccc3)N(C(=O)c3cccc(Cn4ccnc4)c3)[C@H]1CCCC(=O)N2 257227096 FNPRFZQGRGEPBI-DXBVXKBHSA-N 442.563 3.816 0 40 IHAB Cc1nc(Nc2cccc([C@H]3CN(CC(=O)N4CCC(C)CC4)CCO3)n2)sc1C 257259107 KWVVPNWYSALUNH-LJQANCHMSA-N 429.590 3.530 0 40 IHAB CNC(=O)c1sc2nc([C@H]3CCCCN3C(=O)c3cc(F)cc(F)c3)ccc2c1N 257284735 PEAZMPVCHAAZGV-MRXNPFEDSA-N 430.480 3.884 0 40 IHAB COc1ccc(N2CCC[C@](C)(C(=O)Nc3ccc(OC)c(Cl)c3)S2(=O)=O)cc1 260828910 FIOIWNQCZHTNQH-HXUWFJFHSA-N 438.933 3.685 0 40 IHAB CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC3CCCCC3)c2)cc1 408550624 FVPNOXMASTZDHA-UHFFFAOYSA-N 429.542 3.817 0 40 IHAB O=C(COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1Cl)NC1CCCC1 408561943 LWBFPTOHMACLAW-UHFFFAOYSA-N 426.897 3.718 0 40 IHAB Cc1ccc([C@H](CCC(=O)O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 408604069 DFEZWPRNXRNXSQ-FQEVSTJZSA-N 436.961 3.561 0 40 IHAB COC(=O)c1ccccc1NC(=O)c1ccc(NC(=O)c2ccc(OC)c(OC)c2)cc1 408684006 OCMHCQHJOXJOLC-UHFFFAOYSA-N 434.448 3.995 0 40 IHAB CCOc1ccccc1N(CC(=O)NC1CCCC1)S(=O)(=O)c1ccc(Cl)cc1 409125578 BFPGDPVUYJAJEW-UHFFFAOYSA-N 436.961 3.993 0 40 IHAB COc1cc(C(=S)N2C[C@H](C)O[C@@H](C)C2)ccc1OCC(=O)Nc1ccc(C)cc1 409236790 HNPQUGAPJWRFDB-IRXDYDNUSA-N 428.554 3.806 0 40 IHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 409409021 FTKNAQWNRFTIDE-ZWKOTPCHSA-N 445.585 3.625 0 40 IHAB COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](O)c1ccc(-c2cccs2)s1 585148044 MWGASTNMILSNNZ-CYBMUJFWSA-N 436.942 3.927 0 40 IHAB Cc1ccc(Cl)c(OCC2(O)CCN(Cc3ccc(OCCN(C)C)cc3)CC2)c1 585273535 SHZOSXNBNFAQKK-UHFFFAOYSA-N 432.992 3.995 0 40 IHAB CSC1(CNC(=O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)CCCCC1 1535103100 ACLVARWRGBKBOV-QHCPKHFHSA-N 439.581 3.789 0 40 IHAB COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cc(Cl)ccc2OC)c(OC)c1 867209 DYFBPTONBAKRHR-IBGZPJMESA-N 431.876 3.632 0 40 IHAB CCOc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2C[C@@H]2CCCO2)cc1 907256 PDBZZROGSOMSJK-IBGZPJMESA-N 439.541 3.649 0 40 IHAB COc1ccc(CCN(Cc2cc3cccc(C)c3n3nnnc23)C(=O)C2CC2)cc1OC 1376792 AGHVTZXLLZOLLE-UHFFFAOYSA-N 445.523 3.584 0 40 IHAB Cc1nn(C)c(C)c1CN(C)C(=O)Cn1nc(C(F)(F)F)c(Br)c1C1CC1 2775171 UKYIXPBTCVQQET-UHFFFAOYSA-N 448.287 3.551 0 40 IHAB Cc1noc(C)c1COc1cccc(C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)c1 3285484 XKBZESWEBYPURN-OAHLLOKOSA-N 438.436 3.783 0 40 IHAB CCc1nnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc43)c2)s1 3417329 RIXIQBVYVSLIRF-UHFFFAOYSA-N 448.957 3.758 0 40 IHAB COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)NC2CCCCC2)cc1OC 8487906 YTVLZQAMDFWOIX-YNJKOYDBSA-N 430.589 3.821 0 40 IHAB biogenic O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(F)(F)F)c1ccccc1F 8694062 ARXRALBCOGNJTH-UHFFFAOYSA-N 446.422 3.804 0 40 IHAB COc1cc(Br)c(S(=O)(=O)N2CC=C(c3ccccc3)CC2)cc1OC 8752756 NOKXBYRANGGOPT-UHFFFAOYSA-N 438.343 3.944 0 40 IHAB Cn1c(CCN2CCN(c3ccccn3)CC2)nc2cc(NC(=O)c3ccccc3)ccc21 9187624 BGCIGULQOVVAOS-UHFFFAOYSA-N 440.551 3.585 0 40 IHAB COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CC(=O)c3ccc(F)cc3)C2=O)cc1 9223312 HDOVJVBVHNUQJX-UHFFFAOYSA-N 448.450 3.521 0 40 IHAB Cc1cc(C(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)c(C)n1CC(F)(F)F 9442696 ANFPWCBOLNIJAP-NRFANRHFSA-N 433.430 3.634 0 40 IHAB C[C@H]1CCN(C(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)c2ccccc2S1 9532790 PSBDUZKMSHEVEJ-UPCLLVRISA-N 435.549 3.688 0 40 IHAB CCOc1cc2c(cc1/C=C(/C(=O)N1CCOCC1)c1nc3ccccc3[nH]1)O[C@@H](C)C2 9549508 XMELEAIORJHXIC-HUCUOGIVSA-N 433.508 3.684 0 40 IHAB CN(CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)Cc1nc2ccccc2s1 9584339 LXXSIOLVPRIFRI-UHFFFAOYSA-N 446.458 3.966 0 40 IHAB O=C(Cn1c(=O)n(-c2ccc(F)cc2)c(=O)c2oc3ccccc3c21)Nc1ccc(F)cc1 9603273 DNHJRNLGJCDSAK-UHFFFAOYSA-N 447.397 3.816 0 40 IHAB O=C1NC2(CCCC2)C(=O)N1CCC(=O)N1CCCC[C@H]1c1nc2ccccc2s1 9669666 KXZBSYUXMWEUCR-INIZCTEOSA-N 426.542 3.605 0 40 IHAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C(F)(F)F)cc2)cc1C 10301281 GZNRXBKFPWSHAG-UHFFFAOYSA-N 430.448 3.672 0 40 IHAB CCCc1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)c2cc(-c3ccccc3)on2)n1 12125810 QWKQHTHPRFWTGS-UHFFFAOYSA-N 430.468 3.693 0 40 IHAB O=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccc(N2CCCS2(=O)=O)cc1 12264441 MBMRDDLVSDYNGK-UHFFFAOYSA-N 429.473 3.592 0 40 IHAB COC(=O)C1=C(C)N(C2CCCC2)C(=O)[C@@]1(NC(=O)CCC1CCCCC1)C(F)(F)F 12402655 SMEQCCPAGPVKSA-OAQYLSRUSA-N 444.494 3.996 0 40 IHAB O=C(CN1C(=O)S/C(=C\c2cccn2-c2cccc(C(=O)O)c2)C1=O)Nc1ccccc1 12468173 UCENZZDPUCPHOW-UYRXBGFRSA-N 447.472 3.851 0 40 IHAB COc1ccc([C@H]2CCCCCN2C(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 12676152 FCRILBHRJFXGPL-JOCHJYFZSA-N 430.570 3.768 0 40 IHAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/c1cc(C(=O)O)c2ccccc2n1 12688670 WCAOLBPKUCPBBU-UZYOAWRESA-N 431.901 3.621 0 40 IHAB Cc1ccc(SCCC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)cc1 12999387 BKLSUCPHKHKHNN-HDICACEKSA-N 448.610 3.914 0 40 IHAB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N(C)Cc2ccccc2F)cc1 13006920 GBQXUSQMTVVXPE-UHFFFAOYSA-N 442.512 3.932 0 40 IHAB CCOC(=O)c1c(CN2C(=O)N[C@](C)(c3ccc(C)cc3)C2=O)nc2ccccc2c1C 13041274 WVEXLOHTGGHTSU-RUZDIDTESA-N 431.492 3.996 0 40 IHAB CC(=O)c1ccc(NC(=O)[C@H](C)Sc2nnc(COc3ccc(C)cc3C)n2N)cc1 13113007 DYGLAEQLEREFIQ-INIZCTEOSA-N 439.541 3.510 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(Cl)ccc1OC 13141132 MSCGZLYDSUICAM-UHFFFAOYSA-N 438.933 3.784 0 40 IHAB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 13148115 AXOVCFKXLHLGIE-CQSZACIVSA-N 435.307 3.776 0 40 IHAB O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccc(Cl)c(Cl)c1 13470897 YRBWOSUPTXDFKH-UHFFFAOYSA-N 429.325 3.795 0 40 IHAB CCOC(=O)[C@@H]1CCCN(c2ccc(NCc3cc4ccc(OC)cc4[nH]c3=O)cc2)C1 13563095 SWYUOSIXTRTZLX-GOSISDBHSA-N 435.524 3.928 0 40 IHAB CCc1ccc(N2C(=O)C[C@@H](c3c(C)[nH]n(-c4nc5ccccc5s4)c3=O)C2=O)cc1 13569690 DTEOAPYOBULKDK-INIZCTEOSA-N 432.505 3.693 0 40 IHAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(C(C)C)cc3)C2)cc1 13629895 PUTPTFFCQDTWGM-LJQANCHMSA-N 443.569 3.808 0 40 IHAB COc1ccc(N([C@H](C)C(=O)NCCCc2cccc(C)c2)S(C)(=O)=O)cc1Cl 13669687 MIIDBDVWDPEMGW-MRXNPFEDSA-N 438.977 3.561 0 40 IHAB CC(=O)Nc1ccccc1SCC(=O)Nc1ccc(I)cc1 14152476 ZNCOTVJBTUTRTJ-UHFFFAOYSA-N 426.279 3.980 0 40 IHAB CCCn1c(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)nc2ccccc21 14626236 PXDSESUMTRCOSO-UHFFFAOYSA-N 426.542 3.873 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 14862324 JHUXHSNSKXRGBG-UHFFFAOYSA-N 430.526 3.680 0 40 IHAB CC(=O)N(C)[C@@H](c1ccc2c(c1)OCO2)c1nnnn1C(c1ccccc1)c1ccccc1 16949780 ZARHDZFHGZCMNX-DEOSSOPVSA-N 441.491 3.607 0 40 IHAB Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](C2)[C@H](c2ccsc2)CN3C(=O)C2CCC2)cc1 19211628 BSGUQBICCUXWFS-FKBYEOEOSA-N 444.622 3.862 0 40 IHAB COc1ccc2c(COC(=O)c3ccc(Cl)c(N4CCCC4=O)c3)cc(=O)oc2c1 19386988 LVVYQZKGVUGADH-UHFFFAOYSA-N 427.840 3.939 0 40 IHAB COc1cccc(CN2CCC[C@@H](c3cc(C(=O)N4CCC(C)CC4)on3)C2)c1OC 19496754 AWQIEMHJCPZYPW-GOSISDBHSA-N 427.545 3.944 0 40 IHAB CCCN1CCN(C(=O)c2cn(C)cn2)C[C@@H](Cc2ccc(-c3cccc(C)c3)cc2)C1=O 19502659 ZQUGXKOLKIJXTI-XMMPIXPASA-N 444.579 3.949 0 40 IHAB CCNC(=O)[C@@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)Cn2cc(C)cn2)C1 19528938 TWKDCLCHTMSMTA-XMMPIXPASA-N 436.581 3.518 0 40 IHAB COc1cccc(OC)c1CN1CC[C@](Cc2cccc(-c3ccncc3)c2)(C(N)=O)C1 19566995 OZIPRKJAOVBWDP-AREMUKBSSA-N 431.536 3.686 0 40 IHAB CN(C)c1ncc(-c2ccccc2F)c(C2CCN(C(=O)c3n[nH]c4c3CCCC4)CC2)n1 19695133 JPKZCVOJIREBEH-UHFFFAOYSA-N 448.546 3.970 0 40 IHAB O=C(NCc1ccc(Cl)cc1Cl)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 19868746 HPMZCCIDZTYPAS-CYBMUJFWSA-N 433.382 3.772 0 40 IHAB COc1ccc([C@@H](CNC(=O)COc2cc(C)c(Cl)c(C)c2)N2CCOCC2)cc1 19902205 YWSICKMQDUXZCS-OAQYLSRUSA-N 432.948 3.534 0 40 IHAB CN1CCC(N[C@H]2CC(C)(C)[C@@H]3C[C@@](C)(O)CC[C@]23CCC(=O)NCc2ccco2)CC1 20464660 SKLPTHIGWZWAHN-JPMIEVGJSA-N 445.648 3.696 0 40 IHAB biogenic,in-vitro Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCC1(N2CCOCC2)CCCCC1 21556525 OCVHUWFLCSXLJC-UHFFFAOYSA-N 430.980 3.658 0 40 IHAB COc1ccc([C@@H]2CCCN2CC(=O)NCC(=O)Nc2cccc(Cl)c2C)c(OC)c1 21583488 HZVCNZULOCBITH-FQEVSTJZSA-N 445.947 3.557 0 40 IHAB Cn1c(SCC(=O)c2ccc3c(c2)CCCO3)nnc1-c1ccc2c(c1)OCCCO2 21723234 QBNXGHKELVUPCE-UHFFFAOYSA-N 437.521 3.943 0 40 IHAB Cc1noc2nc(-c3ccco3)cc(C(=O)N3CCC(NC(=O)c4ccccc4)CC3)c12 22430869 HKAHAEKXLDCWGJ-UHFFFAOYSA-N 430.464 3.826 0 40 IHAB CCCn1c(SCc2cc(C(C)=O)ccc2OC)nc2cc(S(N)(=O)=O)ccc21 23044147 XJWHFOIWLFJPRG-UHFFFAOYSA-N 433.555 3.597 0 40 IHAB Cc1cc(N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)n2nc(C(F)(F)F)nc2n1 26695031 SXWZKJWFQFKQNX-UHFFFAOYSA-N 444.383 3.793 0 40 IHAB O=C1CCCN1c1ccc(S(=O)(=O)NCc2ccccc2COc2ccccc2)cc1 30521265 OAKPKKUJIIWKFV-UHFFFAOYSA-N 436.533 3.871 0 40 IHAB O=C(O)[C@H](c1c[nH]c2cc(Br)ccc12)N1CCN(Cc2cccs2)CC1 32072029 GZWIQZZEZCNFAA-SFHVURJKSA-N 434.359 3.935 0 40 IHAB COc1ccc(CCNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2ccccc2OC)cc1 32833128 HSQWAVCKTRMKLK-VJBMBRPKSA-N 436.552 3.836 0 40 IHAB CC[C@H](NC(=O)CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1)c1ccc(C)cc1 32888421 JSAIOFHUUDSERD-QFIPXVFZSA-N 436.552 3.928 0 40 IHAB O=C(NCc1ccc(C(=O)N2CCOCC2)cc1)C1c2ccccc2Oc2ccccc21 40040757 GCGXSTDWBLEAPS-UHFFFAOYSA-N 428.488 3.713 0 40 IHAB C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)OCc1nc(-c3ccccc3)cs1)C2=O 40114569 UJMJVKVWMGVIOJ-WNSKOXEYSA-N 441.553 3.990 0 40 IHAB CCn1nc(-c2ccc(C)c(S(=O)(=O)NCc3ccccc3)c2)c2c(c1=O)CCCC2 46027539 BSXZPHDZVBNHHM-UHFFFAOYSA-N 437.565 3.596 0 40 IHAB C[C@@H]1C[C@H]1c1ccc(CN(C)C(=O)CCCCCNC2=NS(=O)(=O)c3ccccc32)o1 48262265 BMCZFZCTOFICFN-VQIMIIECSA-N 443.569 3.661 0 40 IHAB CCn1c(CN(C)Cc2ccc(SC)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 58169925 VFYCNZVQJVWFSW-UHFFFAOYSA-N 432.615 3.660 0 40 IHAB CN(Cc1cccnc1)C[C@H]1CCCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 58310495 INUWSCFBQDIDQJ-QGZVFWFLSA-N 427.492 3.724 0 40 IHAB O=C(NCc1ccccc1OC(F)F)Nc1ccccc1S(=O)(=O)N1CCCCC1 58328346 IUMJPARPTUDHLN-UHFFFAOYSA-N 439.484 3.784 0 40 IHAB Cc1ncc(CN(C)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)s1 58392349 KRYZQVQMDSSVHM-UHFFFAOYSA-N 428.967 3.553 0 40 IHAB CCOc1ccc(NC(=O)C(=O)NCC2CCN(c3nc4ccccc4s3)CC2)cc1 70900116 FEXKVZGIFWZTRW-UHFFFAOYSA-N 438.553 3.666 0 40 IHAB CN(C)c1ccc([C@H](CNC(=O)[C@H](C2CC2)N2CCOCC2)c2c[nH]c3ccccc23)cc1 72300994 MDOHRWBLNHMQOL-OZXSUGGESA-N 446.595 3.593 0 40 IHAB Cc1cc(NC(=O)c2nnn(-c3ccc(OC(F)(F)F)cc3)n2)ccc1Br 77100456 DKCDOQAEKASEGD-UHFFFAOYSA-N 442.195 3.884 0 40 IHAB COc1ccc(OC)c(-c2cc(C(=O)NC[C@@H](c3ccccc3Cl)N(C)C)n(C)n2)c1 77200675 FEAHCOSUDBUVKZ-NRFANRHFSA-N 442.947 3.790 0 40 IHAB CCCOc1ccc(O[C@H]2CCCC[C@H]2NC(=O)c2cnc3ccc(C)cn3c2=O)cc1 78814442 GBLOGLAVEUQFBT-YADHBBJMSA-N 435.524 3.912 0 40 IHAB Cc1c(C(=O)N[C@H](C)c2noc(Cc3ccccc3)n2)nnn1-c1cccc2cnccc12 79025351 SZXRXNNZCXHCPR-OAHLLOKOSA-N 439.479 3.589 0 40 IHAB O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCCCN1CCn1c(=O)oc2cccnc21 89807765 MUXCLABRUAZHOH-INIZCTEOSA-N 435.311 3.790 0 40 IHAB COc1cccc(CS(=O)(=O)NC[C@](C)(O)C(c2ccccc2)c2ccccc2)c1 95461895 WAVGWXOEPPSXJC-DEOSSOPVSA-N 425.550 3.698 0 40 IHAB CC(=O)c1ccc(O)c(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Br)cc2)c1 95993578 OMWGRYWPRPRHHO-UHFFFAOYSA-N 440.315 3.548 0 40 IHAB O=C1[C@@H]2C[C@@H](CN2Cc2ccc3c(c2)OCO3)Oc2ccccc2N1Cc1ccccc1 96111783 ZTAMAHPBLHZASN-UNMCSNQZSA-N 428.488 3.984 0 40 IHAB biogenic,in-vitro COCCN(C)c1nc(C2CCN(C(=O)c3cccnc3)CC2)cc2c1ncn2C(C)C 96155662 CSMQHLBRZPRHPJ-UHFFFAOYSA-N 436.560 3.510 0 40 IHAB CC1=C[C@H]2C[C@H]1[C@H]1C(=O)N(c3cccc(C(=O)OCC(=O)c4ccc(F)cc4)c3)C(=O)[C@@H]21 102085386 KVQGEDZVHYSDTR-UHVFKWDWSA-N 433.435 3.567 0 40 IHAB CC1=CCC(=O)[C@]2(C)[C@@H](CC(=O)O)[C@@]3(C)C4=C(C)[C@H](c5ccoc5)C[C@@H]4O[C@@H]3[C@@H](O)[C@H]12 104064946 WLPQYBOZJVUQFL-JTRZVOJVSA-N 426.509 3.864 0 40 IHAB COc1ccc([C@H]2[C@@H]3C(=O)N(C(C)C)C(=O)[C@@H]3ON2c2ccc(Cl)cc2)c(OC)c1 136133134 XHTNFIDJTKVFET-SLFFLAALSA-N 430.888 3.612 0 40 IHAB CCOC(=O)C1(C(=O)OCC)[C@H](c2ccc(CC)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 218349259 HRGYMLKUKJEZFD-NHCUHLMSSA-N 444.549 3.610 0 40 IHAB CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H]3CC(C)(C)Oc4cc(OC)ccc43)ccc21 223027703 VLWUQKGQVLLKMA-LJQANCHMSA-N 444.553 3.575 0 40 IHAB CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1cc(C)cc(C)c1 223065675 HHZMUWXANNWAQC-KRWDZBQOSA-N 447.373 3.998 0 40 IHAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 223562999 HGINCVAVNAUQCO-NRFANRHFSA-N 425.481 3.935 0 40 IHAB COc1ccc(OCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCC2)cc1 223866989 ACSHINUPQIKQRP-KRWDZBQOSA-N 428.504 3.689 0 40 IHAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCCOc1ccc(OC)cc1 223873223 WQHKTTLQCVHSHZ-GOSISDBHSA-N 430.520 3.937 0 40 IHAB CCCSc1nnc(NC(=O)[C@@H](CC)N(c2ccc(Cl)cc2)S(C)(=O)=O)s1 224287972 GLAHMLLEYAMYJZ-CYBMUJFWSA-N 449.023 3.877 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(C(C)C)cc2)cc1Br 224875875 OOKQUFXQTJSEMU-UHFFFAOYSA-N 442.331 3.861 0 40 IHAB CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1cc(C)c(Br)c(C)c1 225203627 POVXJFIPJNOVKG-MRXNPFEDSA-N 433.346 3.608 0 40 IHAB CCc1ccc(OCC(=O)N(Cc2cccc(Br)c2)[C@H](C)C(=O)NC)cc1 225463194 MKHMRNSTHWLQRN-OAHLLOKOSA-N 433.346 3.554 0 40 IHAB O=C(c1cccc(Cn2ccnc2)c1)N1CCOC[C@@H](Cc2ccc3ncccc3c2)C1 257200877 AFFBGQYBWMXITI-QFIPXVFZSA-N 426.520 3.811 0 40 IHAB O=C(Nc1nnc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)s1)c1ccc(Cl)cc1Cl 260836893 BBUCOQRXMRPFMX-MWODSPESSA-N 447.369 3.564 0 40 IHAB COC(=O)COc1ccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)cc1Cl 408584332 OEYFNVXAJZZHCW-UHFFFAOYSA-N 445.924 3.960 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N(CCc1ccccc1)CC(=O)NC1CCCCC1 408625620 WJVZLIWEXRWYGS-UHFFFAOYSA-N 444.597 3.686 0 40 IHAB Cc1cc(C)cc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)c2)c1 408660247 NFFPPAUTCXANDK-OYRHEFFESA-N 434.492 3.779 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2cc(C)cc(C)c2)cc1 408662456 DJYACYFOIKTTTI-UHFFFAOYSA-N 440.496 3.771 0 40 IHAB Cc1ccc(C(=O)N[C@@H](c2nnc(SCC(=O)Nc3ccccc3)n2C)C(C)C)cc1 409152006 JBTVKCBRMCNFBX-HXUWFJFHSA-N 437.569 3.981 0 40 IHAB O=C(O[C@@H]1C(=O)N(c2cccc(Cl)c2)C(=O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 409297541 KVJOXEHBPCNJCT-BGYRXZFFSA-N 449.846 3.664 0 40 IHAB COc1ccc([C@H]2CCCCCN2C(=O)Cn2cc(C(N)=O)c(-c3ccccc3)n2)cc1 553149762 LQEKXMULMXMRMS-JOCHJYFZSA-N 432.524 3.802 0 40 IHAB Cc1nn(C)c2ncc(NC(=O)[C@@H](c3ccc(Cl)cc3Cl)N3CCOCC3)cc12 608002205 CJDHQYBELGMJNK-GOSISDBHSA-N 434.327 3.596 0 40 IHAB C[C@@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)NCc1ccc(CC(N)=O)cc1)OCCO3 638286960 YUQMJXQVQQXDTG-QGZVFWFLSA-N 449.551 3.584 0 40 IHAB Cc1ccc(CN2CCC3(CC2)[C@@H](C(=O)N2CCC2)c2ccccc2C(=O)N3C(C)C)o1 1549166109 AERCKDGMWBAKCX-HSZRJFAPSA-N 435.568 3.803 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)NCC2CC2)cc1)N1CCCC[C@H]1CC1(O)CCCCC1 1562388188 FUMQIKUNHISDQJ-FQEVSTJZSA-N 449.617 3.847 0 40 IHAB Cc1cc(C)cc(N(C(=O)c2csnn2)[C@@H](C(=O)NC2CCCC2)c2ccccn2)c1 1357581 BLEAWPOOXUQBHU-OAQYLSRUSA-N 435.553 3.997 0 40 IHAB CS(=O)(=O)N(Cc1ccccc1)C[C@H](O)COC(c1ccccc1)c1ccccc1 3264742 BIOSXMWOIXOYBZ-QHCPKHFHSA-N 425.550 3.615 0 40 IHAB O=C(COC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)NCCC1=CCCCC1 3346598 WXUOMXRITXQRGT-UHFFFAOYSA-N 448.566 3.712 0 40 IHAB CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)NN2[C@H](C)CCC[C@H]2C)c1 3351870 WQNVDSSCSKTUNE-IAGOWNOFSA-N 432.542 3.761 0 40 IHAB C[C@H](Sc1nc2sc3c(c2c(=O)n1C)CCCC3)C(=O)N1CCc2ccccc21 3544854 FROXRWDLSIPMDV-ZDUSSCGKSA-N 425.579 3.944 0 40 IHAB COc1ccc([C@H](NC(=O)Cc2cccs2)C(=O)Nc2ccc3c(c2)OCCO3)cc1 3614783 JKTUFJJXCCZDHK-QFIPXVFZSA-N 438.505 3.567 0 40 IHAB O=C(NCc1ccc(Cl)cc1)c1ccc2c(=O)n(CCc3ccccc3)c(=O)[nH]c2c1 4791569 SDVIAFMZWILSTG-UHFFFAOYSA-N 433.895 3.516 0 40 IHAB CCOc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=S)NC[C@H]3CCCO3)cc2c1 6196721 GBHCFGOINJHPSQ-LJQANCHMSA-N 441.553 3.576 0 40 IHAB CCC(C)(C)n1nnnc1[C@@H](c1cc2ccc(OC)cc2[nH]c1=O)N1CCc2ccccc21 8582482 JCTHUVXFGJKLGK-JOCHJYFZSA-N 444.539 3.820 0 40 IHAB O=C(CCC(=O)c1ccc(Cl)s1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 8748907 OQVACUXQQLIERZ-UHFFFAOYSA-N 426.947 3.788 0 40 IHAB CCc1ccc(Cl)c(CC)c1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 8754761 UEPJDQBITSETLV-UHFFFAOYSA-N 436.961 3.738 0 40 IHAB O=C1COc2ccc(S(=O)(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2N1 8815674 HERFYOHOQFYPBL-UHFFFAOYSA-N 440.321 3.856 0 40 IHAB Cc1cc(C)c(-c2n[nH]c3c2[C@@H](c2cccc(Br)c2)N(CCO)C3=O)c(O)c1 8845131 MEOXIEMCXLZSMT-HXUWFJFHSA-N 442.313 3.699 0 40 IHAB Cc1ccc(-c2nn(CC(=O)Nc3ccc4c(c3)OCCO4)c(=O)c3nc(C)sc23)cc1 8955112 XAFWYSFCIAVUMY-UHFFFAOYSA-N 448.504 3.547 0 40 IHAB O=C(N[C@@H]1CCSc2ccc(F)cc21)c1ccc(S(=O)(=O)NCc2ccco2)cc1 9647875 GNVVNAHIZJKBRW-LJQANCHMSA-N 446.525 3.864 0 40 IHAB CCc1ccccc1NC(=O)CNC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 10219598 YIOXOYKVCWFHHN-UHFFFAOYSA-N 425.492 3.865 0 40 IHAB COc1ccc(NC(=O)C(=O)NC[C@H](c2cccc3ccccc23)N2CCCC2)c(OC)c1 10334014 FJCLNDOTDKWEEV-HSZRJFAPSA-N 447.535 3.749 0 40 IHAB COc1ccc(OCCCSc2nnc(N3CCOCC3)n2-c2ccccc2C)cc1 12586501 GBSDMOCMDKPCOL-UHFFFAOYSA-N 440.569 3.982 0 40 IHAB COc1cc(C(=O)NCc2ccc(Cn3cccn3)cc2)cc(OC)c1Br 12626500 BYKUZDOOXWDGHZ-UHFFFAOYSA-N 430.302 3.641 0 40 IHAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)CSc1nnc(CSC)o1 12872503 OXMUYBCKTJWCIL-UHFFFAOYSA-N 437.465 3.707 0 40 IHAB CCc1ccccc1N1C(=O)/C(=C\c2ccccc2OCC(=O)N2CCCC2)NC1=S 12985522 VLYIRAHTVVOMBN-XDJHFCHBSA-N 435.549 3.512 0 40 IHAB CSCC[C@H](C(=O)Nc1cccc(Br)c1)N1C(=O)c2ccccc2C1=O 13027337 RKEXZYLXQKLTEU-MRXNPFEDSA-N 433.327 3.806 0 40 IHAB O=C(NCC(=O)N(c1ccccc1)[C@@H](C(=O)NC1CCCC1)c1ccccc1)c1ccco1 13506821 RMEPXLXRKSIZAR-XMMPIXPASA-N 445.519 3.843 0 40 IHAB CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)c1ccc(Br)o1 13567040 PMTDHPHBWBDYFP-UHFFFAOYSA-N 436.262 3.772 0 40 IHAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)cc1NC(=O)c1ccco1 14199066 OSPFMDWIJPGCKV-UHFFFAOYSA-N 441.509 3.779 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccc(N2CCCC2=O)c1 14798218 SCZKEBOCNWHAEY-UHFFFAOYSA-N 441.553 3.549 0 40 IHAB C[C@H]1CCCC[C@H]1NC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1 15796755 BTDLIEWMPNFRMT-WMZHIEFXSA-N 441.597 3.506 0 40 IHAB CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(Cl)c3F)CC2)c1 16680235 XSTJWSBEQDHFKJ-UHFFFAOYSA-N 438.908 3.721 0 40 IHAB O=C1C[C@H](Sc2ccc(NS(=O)(=O)c3ccccc3)cc2)C(=O)N1c1ccccc1 17102315 TXRVWKQQQKQKPP-FQEVSTJZSA-N 438.530 3.912 0 40 IHAB C[C@H]1C[C@H](C)CN(c2sc(S(C)(=O)=O)nc2S(=O)(=O)c2ccc(Cl)cc2)C1 17244996 SVNXDWKLDMLSNG-RYUDHWBXSA-N 449.019 3.515 0 40 IHAB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccc(F)cc1 18244622 DWATYEFPQXBCNU-RTBURBONSA-N 440.858 3.670 0 40 IHAB COc1ccc2c(c1)OC1(CCN(C(=O)[C@@H](C)n3nc(C(F)F)cc3C)CC1)CC2=O 19119035 AIHVZXMNQIZQSY-CQSZACIVSA-N 433.455 3.725 0 40 IHAB CC(C)n1cc(CN2C[C@@H](c3cccnc3)[C@@]3(COCCC(=O)N3)C2)c2ccc(F)cc21 19454779 MMTAABFLMFSKIO-DHLKQENFSA-N 436.531 3.631 0 40 IHAB CCN1CCN(C(=O)c2ccnn2C)C[C@@H](Cc2ccc(-c3cccc(C)c3)cc2)C1=O 19527316 BWPSGAOGFLTGFQ-HSZRJFAPSA-N 430.552 3.559 0 40 IHAB CN(C)C(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CCCN(C(=O)c2ccccn2)C1 19579319 AFBKOKRPRKOZLR-SANMLTNESA-N 428.536 3.697 0 40 IHAB COc1cccc(OC)c1CN1CCN(C)C(=O)[C@H](Cc2ccc(-c3cccnc3)cc2)C1 19589446 PVOIPMCFAWVDMX-HSZRJFAPSA-N 445.563 3.899 0 40 IHAB COCC(=O)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2cc3c(cc2OC)CCCC3)C1 19592990 UBYJPRQFSOUNTN-HFZDXXHNSA-N 437.584 3.685 0 40 IHAB Cc1cc(-c2cnc(N)nc2)cc(C2CCN(CC(=O)N3CCCc4ccccc43)CC2)n1 19691948 PGRRQPMQELTEKW-UHFFFAOYSA-N 442.567 3.588 0 40 IHAB COc1ccccc1C(=O)N1CCO[C@@H](c2c(C(=O)NC(C)C)sc3ncccc23)C1 19703049 FDXXNSMUGBLAFC-GOSISDBHSA-N 439.537 3.657 0 40 IHAB Cc1nc([C@H]2CCCN2C(=O)c2ccc(F)cc2)ncc1C(=O)NCc1ccc(F)cc1 19753299 VISGOPGWLRDXQZ-OAQYLSRUSA-N 436.462 3.971 0 40 IHAB Cc1nc([C@@H]2CCCN2C(=O)COc2ccc(F)cc2)ncc1C(=O)NCc1ccccc1 19754973 ZKIYROVXGLHFBN-QFIPXVFZSA-N 448.498 3.597 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(F)ccc3C)CC2)cc1Cl 20016669 AGWQPJUEOKYYLX-UHFFFAOYSA-N 440.924 3.836 0 40 IHAB COc1ccc(-c2nc3n(n2)[C@@H](CC(=O)Nc2cc(Cl)ccc2Cl)C(=O)N3)cc1 20715463 IRKMAHAJCUOHKQ-HNNXBMFYSA-N 432.267 3.783 0 40 IHAB COc1cc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCCC4)cc(OC)c1 21882509 WEIKOFMAEJWRFK-UHFFFAOYSA-N 427.526 3.842 0 40 IHAB Cc1ccc(CN(c2ccc(OCC(=O)N3CCCCCC3)cc2)S(C)(=O)=O)cc1 22231790 QGXYQRUHSYRIFU-UHFFFAOYSA-N 430.570 3.743 0 40 IHAB Cc1ccc([C@@H](NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)c2cccs2)cc1 22328292 FPHLXIUSFHWRIX-MGPUTAFESA-N 432.542 3.768 0 40 IHAB CCOc1ccccc1-c1noc(CN2CCN(CC(=O)Nc3c(C)cccc3C)CC2)n1 22931149 QFJVCZHROZGSDK-UHFFFAOYSA-N 449.555 3.508 0 40 IHAB CN(C)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCN(Cc2ccccc2)C3)cc1 23153808 SXEDJEZCGUZLCN-UHFFFAOYSA-N 434.565 3.724 0 40 IHAB O=C(c1cccnc1N1CCCC1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 23845375 ATGCZAIJPIIMFI-UHFFFAOYSA-N 439.869 3.711 0 40 IHAB COc1ccc(CN2C(=O)/C(=C\NCCN(C(C)C)C(C)C)c3ccccc3C2=O)cc1 24074500 QELRUYQUTYGJHU-JLPGSUDCSA-N 435.568 3.927 0 40 IHAB Cc1cccc(-n2c(SCCCn3c(=O)[nH]c4ccccc43)nc3ccccc3c2=O)n1 24458291 AUMSKHJPFJKMGO-UHFFFAOYSA-N 443.532 3.915 0 40 IHAB Cc1ccc(-c2ccsc2C(=O)N2CCN(Cc3cc(=O)n4ccccc4n3)CC2)cc1 24760497 NKXYJCIMPKTVEP-UHFFFAOYSA-N 444.560 3.689 0 40 IHAB CCOC(=O)c1ccsc1NC(=O)CSc1ncnc2c1cnn2-c1ccccc1 24835603 ASEZDIJYOJUMFS-UHFFFAOYSA-N 439.522 3.785 0 40 IHAB Cc1cc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(NC(N)=O)c3)cc2)ccc1F 29153361 OPLMXHHIXASJLK-UHFFFAOYSA-N 442.472 3.678 0 40 IHAB COc1ccc(OC[C@@H](O)COc2ccccc2C(=O)c2cnn(-c3ccccc3)c2)cc1 30596897 AIBACOAINAUHNG-OAQYLSRUSA-N 444.487 3.931 0 40 IHAB COc1ccc(S(=O)(=O)N[C@H]2CCCc3ccccc32)cc1C(=O)N1CCCCC1 30851393 RVWMDIQOTNTQOY-NRFANRHFSA-N 428.554 3.677 0 40 IHAB CCOc1ccc(N2C[C@H](C(=O)Nc3ccnn3Cc3cccc(Cl)c3)CC2=O)cc1 32772421 BWJMJEGLDNWPAY-QGZVFWFLSA-N 438.915 3.975 0 40 IHAB COc1ccc2[nH]cc(CCNC(=O)CN3C(=O)S/C(=C/c4ccccc4)C3=O)c2c1 33545344 ALIDMXKPBWHMEW-RGVLZGJSSA-N 435.505 3.572 0 40 IHAB CCN(CC(=O)Nc1cccc(SC)c1)S(=O)(=O)c1ccc(Br)cc1 39985352 DHROESWYQOCNJH-UHFFFAOYSA-N 443.388 3.820 0 40 IHAB Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)NCCN1C[C@@H](C)O[C@H](C)C1 48343359 CELOFCBVDFOGCF-ZIAGYGMSSA-N 439.387 3.564 0 40 IHAB O=C(CN1CN(c2cccc(F)c2)c2ncccc2S1(=O)=O)Nc1ccc(Cl)cc1 49411540 WVGWPJKSBBYTHP-UHFFFAOYSA-N 446.891 3.613 0 40 IHAB COc1ccc(Cn2c(=O)c3sccc3n(CC(=O)Nc3c(C)cccc3C)c2=O)cc1 57426577 VAIPEACNPPMBMI-UHFFFAOYSA-N 449.532 3.537 0 40 IHAB CCN(C(=O)Cn1c(=O)n(-c2ccccc2C)c(=O)c2sccc21)c1cccc(C)c1 57489635 AYMDFTOKPGVXPX-UHFFFAOYSA-N 433.533 3.884 0 40 IHAB Cc1ccc(NCC(=O)N(C2CCCCC2)[C@@H]2CCS(=O)(=O)C2)c(Br)c1 57810231 VWHOROACDHATMS-MRXNPFEDSA-N 443.407 3.518 0 40 IHAB COc1ccc([C@@H](NC(=O)[C@@H](C)NC(=O)c2n[nH]c3ccccc23)c2ccccc2)cc1 58251611 UUJYZWIGAVDIOR-ZHRRBRCNSA-N 428.492 3.596 0 40 IHAB Cc1ccc(S(=O)(=O)c2ccc(CN3C(=O)N[C@](C)(c4cccs4)C3=O)cc2)cc1 58423657 CBWDICSOLYCJMP-JOCHJYFZSA-N 440.546 3.857 0 40 IHAB O=C1N[C@]2(COC3(CCN(C(=O)CCc4ccccc4)CC3)C2)Nc2ccc(Cl)cc21 72325475 MIFLNECTFWHREC-XMMPIXPASA-N 439.943 3.606 0 40 IHAB Cc1ccnc(Nc2cc([C@@H]3CCCN(C(=O)[C@H](N)Cc4ccc(F)cc4)C3)nc(C)n2)c1 72355957 WCOYFRJEUBASSA-TZIWHRDSSA-N 448.546 3.647 0 40 IHAB COc1ccc(OCCc2cc([C@H]3CCN(C(=O)c4cccc(C)c4OC)C3)n[nH]2)cc1 72371713 QLEQPHUPSORLER-SFHVURJKSA-N 435.524 3.987 0 40 IHAB COC(=O)c1nc(NC(=O)CCN2Cc3ccccc3C2=O)sc1Cc1ccccc1 72405379 QDGQMIDHGVRRDR-UHFFFAOYSA-N 435.505 3.505 0 40 IHAB COc1cccc([C@@H]2CC(c3ccc(NS(C)(=O)=O)cc3)=NN2C(=O)c2ccco2)c1 79112383 VBTJSMAQCHKJBH-FQEVSTJZSA-N 439.493 3.651 0 40 IHAB Cc1ccc(C(=O)COC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)c(C)c1 89612076 CBSORDLNSADIMR-UHFFFAOYSA-N 429.538 3.764 0 40 IHAB O=S(=O)(NCc1ccccc1-n1ccnc1)c1c(Cl)cc(F)cc1Br 95453301 XOGWIMHYRBBQGF-UHFFFAOYSA-N 444.713 3.906 0 40 IHAB Cc1nc(COc2cccc(C(=O)N3CCC(CCCN4CCOCC4)CC3)c2)cs1 95468526 WITWGPOHHIZQDY-UHFFFAOYSA-N 443.613 3.995 0 40 IHAB COc1cccc(C(=O)N(CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c2ccc(C)cc2)c1 100396747 QJZWTKQQZUCRIR-ISGSKPSGSA-N 442.515 3.661 0 40 IHAB Cc1ccc(N2C(=O)[C@@H]3N=NN(Cc4nc(-c5ccccc5C)no4)[C@H]3C2=O)cc1Cl 101262200 OYJYMSCVYWPSLS-QZTJIDSGSA-N 436.859 3.500 0 40 IHAB Cc1nn(Cc2cccc(C(=O)Nn3c(S)nc4ccccc4c3=O)c2)c(C)c1Cl 101606107 XAXPLZCVHGCWOJ-UHFFFAOYSA-N 439.928 3.584 0 40 IHAB CC[C@H](NC(=O)COc1ccc(Br)c(C)c1)c1ccc(S(C)(=O)=O)cc1 218830535 CPVFUMPBKJZIAU-SFHVURJKSA-N 440.359 3.807 0 40 IHAB CC[C@H](C(=O)N[C@@H](C)COc1ccc(C)cc1)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220583077 SGYALHDJEDWOQT-SIKLNZKXSA-N 432.586 3.740 0 40 IHAB CCN(CC(=O)Nc1ccc(C)cc1Br)S(=O)(=O)c1ccc(F)cc1 223060699 KVXIYUWRUOXDKD-UHFFFAOYSA-N 429.311 3.546 0 40 IHAB CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN1C(=O)c2cccc3cccc1c23 223660971 UNRQNNGXKYJXIX-GOSISDBHSA-N 429.520 3.662 0 40 IHAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccccc1OC 223834298 FRFPTYZUXGRITE-CQSZACIVSA-N 439.339 3.934 0 40 IHAB CS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)NCCc2ccc(F)cc2)cc1 224060322 OIXBACJIILKFRE-UHFFFAOYSA-N 444.503 3.904 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC)c2ccc(I)cc2)cc1 224587934 DHSJDASYCKGGFW-UHFFFAOYSA-N 431.295 3.905 0 40 IHAB O=C(Nc1nnc(S(=O)(=O)Nc2c(F)cccc2F)s1)c1ccccc1Cl 224611187 ZLZLWMIDCNWGEQ-UHFFFAOYSA-N 430.845 3.523 0 40 IHAB CCc1ccc(OCCNC(=O)CCCN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 224656613 XPIYDRJXUDRKFI-UHFFFAOYSA-N 432.586 3.607 0 40 IHAB COc1ccc(NC(=O)[C@]2(C)CCN(c3ccc(Cl)cc3)S2(=O)=O)cc1Cl 225946698 HGQAUIHUDJKMBJ-SFHVURJKSA-N 429.325 3.939 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)NCC(C)(C)C)Cc1ccccc1 226075926 ZMTMURKGCKUWNY-UHFFFAOYSA-N 438.977 3.702 0 40 IHAB O=C1O[C@]2(CCCN(Cc3ccnc(N4CCCCC4)n3)CC2)CN1CCc1ccccc1 257301607 RZCVUYIXXHOJKZ-SANMLTNESA-N 449.599 3.887 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(F)cc3F)C2)cc1C 408559811 MXACVWZBXAVYMB-OAHLLOKOSA-N 438.496 3.711 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3c(C)cccc3CC)C2)cc1 408559860 ZMCCNSNSGKKRKQ-IBGZPJMESA-N 430.570 3.996 0 40 IHAB COC[C@H](C)NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 408577225 XJTOWQWVULTVDY-AWEZNQCLSA-N 445.368 3.648 0 40 IHAB COc1ccc(C(=O)[C@@H](C)N(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)CCC2=O)cc1 408642120 DMXOKRCUDAYPPG-GFCCVEGCSA-N 449.290 3.780 0 40 IHAB CCc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@H]3C[C@@H](C)CC[C@H]3C2=O)c1 408658824 IZSBISDJWMQSNZ-DQLDELGASA-N 448.519 3.970 0 40 IHAB COc1ccc(OC)c(NC(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)c1 408680935 UEZIIWZFYJYTIF-UHFFFAOYSA-N 426.922 3.542 0 40 IHAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 408695331 RTDSHHREEJQRNN-LJQANCHMSA-N 432.542 3.666 0 40 IHAB CC[C@H](C)Oc1c(Br)cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc1OC 409132975 YVGDXLKDTIDLOZ-PBJWJZLWSA-N 444.303 3.756 0 40 IHAB COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(Cl)c(O)c(OC)c3)C2=O)cc1 409154956 HVZGJTNISGAMHX-SXGWCWSVSA-N 448.884 3.738 0 40 IHAB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cccn2-c2cccc(C)c2)C1=O 409243718 XVDNDRMRSSCWCB-PXLXIMEGSA-N 428.492 3.880 0 40 IHAB CC(C)OCCCNC(=O)CCc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1 409246346 BITMTRUQMXMJON-IBGZPJMESA-N 432.586 3.590 0 40 IHAB O=C(Cc1ccc(NS(=O)(=O)c2cccs2)cc1)N1CCCC[C@@H]1c1cc[nH]n1 553186915 WNCDTSQXZOYFQC-GOSISDBHSA-N 430.555 3.568 0 40 IHAB Cc1ccccc1CNC(=O)[C@@H]1CN(CC2CCOCC2)[C@H]2c3cc(F)ccc3OC[C@@H]12 1772595523 CURFWVIPYHHTMR-CUYJMHBOSA-N 438.543 3.859 0 40 IHAB Cc1c(CC(=O)N[C@H](C(=O)O)C(C)C)c(=O)oc2c(C)c3oc4c(c3cc12)CCCC4 2153866 ZVSFTACDUBMBQQ-FQEVSTJZSA-N 425.481 3.803 0 40 IHAB biogenic C[C@H](NC(=O)c1ccccc1NC(=O)COn1nnc2ccc(Cl)cc21)c1ccccc1 2631846 NYMLYUCUPMPTFC-HNNXBMFYSA-N 449.898 3.643 0 40 IHAB C[C@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)c2ccc(Cl)s2)C1=O 3391133 HJUHNHTVADYOOI-MRXNPFEDSA-N 427.707 3.814 0 40 IHAB Cc1cc(C(=O)COC(=O)c2cccc(NS(C)(=O)=O)c2)c(C)n1Cc1ccccc1 9130214 CATMQWFRGGWCDM-UHFFFAOYSA-N 440.521 3.564 0 40 IHAB CCCCn1c(C)cn2c3c(=O)n(Cc4ccc(Cl)cc4Cl)c(=O)n(C)c3nc12 9150082 FLVKUVMGIJNRHA-UHFFFAOYSA-N 434.327 3.613 0 40 IHAB CCCSc1nsc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)n1 9222531 JHDLCDYBLUPLFF-HNNXBMFYSA-N 440.616 3.531 0 40 IHAB COc1cc(NC(=O)c2cccs2)c(C(=O)NCCCn2nc(C)cc2C)cc1OC 9818173 VYGAWODDBYDQLJ-UHFFFAOYSA-N 442.541 3.651 0 40 IHAB CCOc1ccccc1CCCNC(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O 10111035 ISULOISXGPUFAB-UHFFFAOYSA-N 446.613 3.997 0 40 IHAB O=C(CNc1ccc(F)c(F)c1F)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 11041622 WOFVKXFWURXCJM-UHFFFAOYSA-N 441.475 3.719 0 40 IHAB C[C@H]1CCc2ccccc2N1C(=O)COC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 11230936 BREOXDMFXKILSF-ICSRJNTNSA-N 435.524 3.842 0 40 IHAB O=C(Nc1ccc(F)c(Cl)c1)c1cc(-c2ccccc2)n([C@@H]2CCS(=O)(=O)C2)n1 11998577 MECCHYJBJHOESW-OAHLLOKOSA-N 433.892 3.955 0 40 IHAB Cc1cnn(CC(=O)N2CCC(c3cc4nc(C(C)(C)C)cc(C(F)(F)F)n4n3)CC2)c1 12160383 OWUPRLZVKGYGQT-UHFFFAOYSA-N 448.493 3.957 0 40 IHAB Cc1ccc(C)c(N(C(=O)c2csnn2)[C@H](C(=O)NC2CCCC2)c2ccncc2)c1 12637143 QNFJRVJDHAPKED-NRFANRHFSA-N 435.553 3.997 0 40 IHAB Cc1nn(-c2ccccc2)c2sc(C(=O)OCCN3C(=O)c4ccccc4C3=O)cc12 12650158 YISSRNQNDKBUHS-UHFFFAOYSA-N 431.473 3.848 0 40 IHAB COc1cc(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)ccc1OC(C)C 12749199 JIAGTCIFLGPEHK-UHFFFAOYSA-N 439.508 3.989 0 40 IHAB COCCn1c(SCc2cc(C(=O)OC)c(C)o2)nc2sc3c(c2c1=O)CCCC3 12770953 UPGYKHPUAHPIKA-UHFFFAOYSA-N 448.566 3.964 0 40 IHAB CC(=O)Nc1ccc(NC(=O)c2ccccc2S(=O)(=O)N2CCCCC2)cc1Cl 12779268 UYVFCDCNXABWFT-UHFFFAOYSA-N 435.933 3.725 0 40 IHAB O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NC12CC3CC(CC(C3)C1)C2 12944665 UUOXVLXGZZVKEC-UHFFFAOYSA-N 430.614 3.879 0 40 IHAB Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(C(=O)Cc3nc(C)cs3)CC2)cc1 13164676 SWHMQOQKXFOWED-XMMPIXPASA-N 448.592 3.827 0 40 IHAB COc1ccccc1/C=C1\SC(=O)N(CC(=O)NCCc2c[nH]c3ccccc23)C1=O 13572102 ZOKAZLCRINDLEQ-NDENLUEZSA-N 435.505 3.572 0 40 IHAB O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)NCCCN1CCCCCC1 13669416 VAPRPKDUWFMEEH-UHFFFAOYSA-N 429.586 3.511 0 40 IHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](CC)N(c1ccc(C)cc1)S(C)(=O)=O 13686134 XKRKPSSTHZXSJC-LAUBAEHRSA-N 445.585 3.707 0 40 IHAB CCCn1c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)nc2ccccc21 15586713 KYYKOCGMVQQLTD-MRXNPFEDSA-N 444.532 3.625 0 40 IHAB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl 15858281 LFMWZUJBSZUFAY-UHFFFAOYSA-N 432.807 3.678 0 40 IHAB O=C(NC1CCCCC1)[C@H](c1ccccc1)N(Cc1cccnc1)C(=O)c1csnn1 15935670 ZUBWBBOMLSKIML-NRFANRHFSA-N 435.553 3.766 0 40 IHAB COc1ccc(S(=O)(=O)Nc2nc(CC(=O)Nc3ccc(C)c(C)c3)cs2)cc1 17052821 BWRTVBBZDGHHIQ-UHFFFAOYSA-N 431.539 3.751 0 40 IHAB O=C(Cn1c2ccccc2c2ncn(Cc3ccccc3)c(=O)c21)NCc1ccc(F)cc1 17190082 DPVQNIUPNNGFRO-UHFFFAOYSA-N 440.478 3.855 0 40 IHAB CNS(=O)(=O)c1ccc(CCC(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 17960219 XWTOZYRZYUMQCF-UHFFFAOYSA-N 443.594 3.543 0 40 IHAB Cc1ccc(O[C@H](C)C(=O)N2CCC[C@@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)c(C)c1 19132692 HISOERSCNDITRL-ZJPYXAASSA-N 433.503 3.591 0 40 IHAB Cc1ccc(O[C@@H](C)C(=O)N2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)c(C)c1 19132704 HISOERSCNDITRL-XLAORIBOSA-N 433.503 3.591 0 40 IHAB Cc1ccccc1-c1ncc(CN2CC=CC[C@@]3(C(=O)N4CCN(C)CC4)CCC[C@@H]23)cn1 19237540 URXQMLRSSMRDIF-SHQCIBLASA-N 445.611 3.527 0 40 IHAB Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)n1 19290142 ZYYDICVZNVHTRD-IBGZPJMESA-N 448.546 3.565 0 40 IHAB O=C(CSc1nnc(-c2ccncc2)o1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 19313559 HLGOWXNWGWIBQS-UHFFFAOYSA-N 449.458 3.591 0 40 IHAB O=C(CN1CCC(O)(Cn2ncc3ccccc32)CC1)c1cccn1-c1ccccc1F 19376587 PCXXSBGGUWYNCT-UHFFFAOYSA-N 432.499 3.676 0 40 IHAB CCN1CCN(C(=O)c2nccn2C)C[C@H](Cc2ccc(-c3cccc(C)c3)cc2)C1=O 19527321 WLFCDCVPVIWTFL-QHCPKHFHSA-N 430.552 3.559 0 40 IHAB CCN1CCN(C(=O)c2ccc(OC)nc2)C[C@H](Cc2ccc(-c3ccccc3)cc2)C1=O 19527333 IZJFQRGHFKOGOJ-DEOSSOPVSA-N 443.547 3.920 0 40 IHAB COc1cccc(-c2cc(-c3cccnc3)nn2CCNC(=O)Cn2nc(C)c(C)c2C)c1 19556654 AUAWNPJXGLMSLM-UHFFFAOYSA-N 444.539 3.559 0 40 IHAB COc1ccccc1-c1ccccc1C[C@@H]1CN(C(=O)COc2ccccc2)CCNC1=O 19571768 WPPDQMONCIRQJS-OAQYLSRUSA-N 444.531 3.558 0 40 IHAB CNC(=O)c1cc([C@@H]2CN(Cc3c[nH]nc3-c3ccccc3)CCO2)nc2ccccc12 19762371 BKCNGFRPVPRMDZ-QHCPKHFHSA-N 427.508 3.558 0 40 IHAB CCn1nc(C)c(CN2CCO[C@H](c3cc(C(=O)NC(C)C)c4ccccc4n3)C2)c1C 19762377 XYGRCBXUMGKXER-DEOSSOPVSA-N 435.572 3.780 0 40 IHAB 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3.758 0 40 IHAB CCCc1ccc(OCCNC(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 223892760 VKSXFCNKBVXMQF-LJQANCHMSA-N 432.586 3.606 0 40 IHAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)NCc3nc(-c4ccccc4)no3)c2)c1 223953510 OTYCFNYMZNNIHX-UHFFFAOYSA-N 448.504 3.776 0 40 IHAB CCc1ccc(OCCNC(=O)[C@@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 224045456 RIFUIWDGRATISP-MRXNPFEDSA-N 438.977 3.561 0 40 IHAB COc1cc(OC)cc(OCC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NCC(C)C)c1 224197231 LXBUJFVZVWMFGK-IBGZPJMESA-N 442.556 3.581 0 40 IHAB COCCCNC(=O)c1cc(N(C)S(=O)(=O)c2ccc(Cl)cc2)ccc1Cl 224345828 LZUOEYGWELLFDK-UHFFFAOYSA-N 431.341 3.585 0 40 IHAB COc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3c(OC)cccc3OC)cc2)c1 224538299 SNWHPOSDCKJCDL-UHFFFAOYSA-N 442.493 3.766 0 40 IHAB COc1ccc(C)cc1N(CC(=O)O)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224622554 LUNJVPFBKVAZQH-UHFFFAOYSA-N 434.297 3.599 0 40 IHAB CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C)cc1OC 225192485 WQEFOWQRLXWHTF-FCHUYYIVSA-N 435.553 3.954 0 40 IHAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)Cc1ccc(OC)cc1 225567941 WPMODYUBMYWORQ-VWLOTQADSA-N 430.548 3.932 0 40 IHAB COc1cc(N2CCN(c3ccccc3)CC2)nc(NC(=S)N[C@@H](C)c2ccccc2)n1 225957283 ASLHZCNXSOCIRV-SFHVURJKSA-N 448.596 3.859 0 40 IHAB CCS(=O)(=O)Nc1ccc(C(=O)NCCCNc2ccnc3cc(Cl)ccc23)cc1 225964322 WMCNUTBYWLOHSQ-UHFFFAOYSA-N 446.960 3.882 0 40 IHAB COc1ccc(OC)c(C(=O)N2CCNC(=O)[C@@H]2Cc2ccc(-c3cccs3)cc2)c1 257296434 RCVUYVDOAKJARO-FQEVSTJZSA-N 436.533 3.616 0 40 IHAB Cc1ccccc1CC(=O)N1CCC2(CC1)c1ccccc1N(CC(C)C)S2(=O)=O 306128952 HPBGCTHGLGZJFS-UHFFFAOYSA-N 426.582 3.861 0 40 IHAB Cc1cccc(NC(=O)C(=O)Nn2c(CCC(=O)O)ccc2-c2ccc(Cl)cc2)c1 408561358 IHGNPLJMGQFUCQ-UHFFFAOYSA-N 425.872 3.843 0 40 IHAB COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)cc(C)cc3C)C2)cc1OC 408561680 VBCSQJYUCMZIFV-GOSISDBHSA-N 446.569 3.668 0 40 IHAB CC(C)c1ccc(NC(=O)CN(Cc2ccc(Br)cc2)S(C)(=O)=O)cc1 408605321 GIFBEXQVRJRAEL-UHFFFAOYSA-N 439.375 3.973 0 40 IHAB CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1 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IHAB O=C(Nc1ccc(N2CCOCC2)cc1)N[C@@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 1470885 LQVJNBUCVDXXLF-IBGZPJMESA-N 443.809 3.986 0 40 IHAB COC[C@@H](C)OC(=O)c1c(N)n(CCc2ccc(OC)cc2)c2nc3ccccc3nc12 2327759 GGDNCIIYNDUYID-OAHLLOKOSA-N 434.496 3.610 0 40 IHAB COC(=O)c1cc(NC(=O)Cn2nc(C(F)F)c(Cl)c2C2CC2)cc(C(=O)OC)c1 2794250 DAMXOICCGMOADI-UHFFFAOYSA-N 441.818 3.563 0 40 IHAB O=C(Cn1cnc2ccccc2c1=O)Nc1nnc(SCc2ccc(Cl)cc2)s1 3380341 IZBWZENMJXPRGR-UHFFFAOYSA-N 443.941 3.832 0 40 IHAB CC(C)(C)c1nnc2sc(SCCOc3ccc(Br)cc3)nn2c1=O 3447450 BLJAOZCHRQHVRU-UHFFFAOYSA-N 441.376 3.777 0 40 IHAB CN(C(=O)CSc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12)c1ccccc1 3590466 NRRUZZIQLCVDBF-UHFFFAOYSA-N 441.516 3.789 0 40 IHAB CC(C)N(C(=O)CN1C(=O)N[C@](C)(c2cccc(Br)c2)C1=O)c1ccccc1 3593244 MKWVAGNIJYIDBV-OAQYLSRUSA-N 444.329 3.658 0 40 IHAB O=C(COC(=O)c1ccccc1N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)c1ccc(Cl)cc1 8449910 LWLFJFSXWLTJNX-RWFYYTQISA-N 435.863 3.691 0 40 IHAB COc1ccccc1C(=O)Nc1ccccc1C(=O)OCc1cc(=O)n2c(C)csc2n1 8607066 QVTQGJQPWJFKQD-UHFFFAOYSA-N 449.488 3.682 0 40 IHAB CCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1 8722871 IQDCFBQBGGZWPC-UHFFFAOYSA-N 440.525 3.935 0 40 IHAB COc1cc([C@H]2CC(=O)Nc3nc(C)[nH]c(=O)c32)ccc1OCc1cccc(Cl)c1 9129864 NPIGYNGMPGQYMI-MRXNPFEDSA-N 425.872 3.793 0 40 IHAB O=C(COC(=O)C(O)(c1ccccc1)c1ccccc1)Nc1ncc(Cl)cc1Cl 9180165 HKYAMBGLQTWDLJ-UHFFFAOYSA-N 431.275 3.806 0 40 IHAB Cc1ccc2oc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)cc(=O)c2c1 9194412 PCTRWVFJVDJDCA-UHFFFAOYSA-N 426.494 3.528 0 40 IHAB O=C(NCCCc1ccccc1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 9227111 RBJMSDMISQDCTH-UHFFFAOYSA-N 436.577 3.990 0 40 IHAB C[C@@H]1CCc2nc(NC(=O)c3ccccc3NC(=O)CSc3nccn3C)sc2C1 9245224 UQOVNEPUKBBUGH-CYBMUJFWSA-N 441.582 3.985 0 40 IHAB O=C(Cc1ccc2c(c1)OCCO2)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 9245464 OVBZGDSTBUHPLG-UHFFFAOYSA-N 425.872 3.895 0 40 IHAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccs3)c(=O)n2[C@@H]1c1ccccc1Cl 9330719 PBUUFPPCLHPYIE-QIPHDZALSA-N 444.965 3.513 0 40 IHAB O=C(Cn1nc(-c2cccs2)c2ccccc2c1=O)Nc1ccc(N2CCOCC2)cc1 9338582 FXNCXCQRWMXJGF-UHFFFAOYSA-N 446.532 3.600 0 40 IHAB CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccco3)o2)cc1 9427868 QYLIEWFNZNCBNF-UHFFFAOYSA-N 430.486 3.535 0 40 IHAB O=C(COc1ccc(C(=O)c2ccc(F)cc2)cc1)Nc1ccccc1C(=O)NC1CC1 9587222 MLOUOOBFENNYCR-UHFFFAOYSA-N 432.451 3.966 0 40 IHAB COc1ccc(OC)c(NC(=O)C2=C(C)NC(=O)N[C@H]2/C(Cl)=C/c2ccccc2)c1 9631301 DXTLISBQCZZRHQ-VZEGMYIASA-N 427.888 3.878 0 40 IHAB COc1ccc(Cn2c(=O)c3ncccc3n(Cc3ccc(Cl)cc3Cl)c2=O)cc1 9660628 CUUNRBKHEHSMCR-UHFFFAOYSA-N 442.302 3.970 0 40 IHAB Cc1occc1-c1nnc(S[C@H](C)c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)n1N 9959724 XEFOWBAKXOWLFD-GXSJLCMTSA-N 442.570 3.836 0 40 IHAB CCOC(=O)C1=C(N)Oc2cc(C)n(CCc3ccccc3)c(=O)c2[C@@H]1c1ccccc1F 10166137 ILXDEXNJHMNZSX-NRFANRHFSA-N 448.494 3.796 0 40 IHAB O=C(NCc1ccccc1Cn1cccn1)c1nn(-c2ccccc2)c(=O)c2ccccc12 10234895 FKIACRSIJQGYBI-UHFFFAOYSA-N 435.487 3.561 0 40 IHAB CNC(=O)NC(=O)[C@H](C)OC(=O)Cc1csc(-c2cccc(Oc3ccccc3)c2)n1 10418949 OSRPHNIKFOJPKF-AWEZNQCLSA-N 439.493 3.532 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)CSc1nnc(COc2ccc(C)cc2)o1 10475572 PHEYORRDCUYVHB-UHFFFAOYSA-N 427.482 3.865 0 40 IHAB CCOc1ccc(N(CC(=O)N2CCC[C@@H](C)C2)S(=O)(=O)c2ccc(C)cc2)cc1 10541259 OCHBJNQLVYFNKT-LJQANCHMSA-N 430.570 3.848 0 40 IHAB COc1cccc(C(=O)COC(=O)c2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)c1 11149681 IASCOHZUZXQBCJ-UHFFFAOYSA-N 439.489 3.844 0 40 IHAB COCCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nc2c(c1=O)S[C@@H](C)C2 11726547 AOERWNGFAGFPGO-HNNXBMFYSA-N 433.599 3.582 0 40 IHAB Cc1cc(C)n(-c2cccc(C(=O)N3C[C@H]4CC[C@]5(NC(=O)c6ccccc6N5)[C@H]4C3)c2)n1 12086095 JXUZNJTUEFYVGR-GSPPDTAYSA-N 441.535 3.523 0 40 IHAB CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CN1CCN(c2cccc(C)c2)CC1 12558004 GJUVIYLWGRANNP-UHFFFAOYSA-N 439.585 3.667 0 40 IHAB Cc1ccc([C@H](CNC(=O)c2ccc(NC(=O)c3cccs3)cc2)N2CCOCC2)o1 12623028 DTOIDPFBUZWQOT-IBGZPJMESA-N 439.537 3.705 0 40 IHAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)NCC(c1ccccc1)c1ccccc1 13734786 ZXQPAXPWIXAGOM-UHFFFAOYSA-N 439.515 3.670 0 40 IHAB CCN1CCC2(CC1)Oc1c(OC)cccc1[C@@H]1CC(c3ccc4c(c3)OCCO4)=NN12 13750018 QUWOBYQWEHDVJA-FQEVSTJZSA-N 435.524 3.822 0 40 IHAB CN(CC(=O)Nc1nc2ccc(Cl)cc2s1)S(=O)(=O)c1ccc(Cl)cc1 16004664 WWTCAFFZVLVPOE-UHFFFAOYSA-N 430.338 3.862 0 40 IHAB O=C(O)CNc1ncc(-c2nnnn2-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1 16429341 WTWQQIGIJKDLGT-UHFFFAOYSA-N 442.266 3.590 0 40 IHAB CCOC(=O)c1ccc(-c2ccc(/C=c3/sc4nc(-c5cccs5)nn4c3=O)o2)cc1 16733836 XDVYZLOYIDITAN-LDADJPATSA-N 449.513 3.864 0 40 IHAB O=S(=O)(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(F)cc1)c1ccccc1 17191380 NCRSDDYSWHNDNR-UHFFFAOYSA-N 446.525 3.768 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1cccc(N2CCCC2=O)c1 18084512 WEFHXJASFOVJQX-UHFFFAOYSA-N 441.553 3.630 0 40 IHAB Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CCN(C(=O)CN3CCCCCC3)CC1)N2 19128732 FDGXKKBZSNGIFC-ZWKOTPCHSA-N 427.515 3.594 0 40 IHAB COc1ccc2c(c1)c([C@H](O)CN1CCC3(CC1)C[C@H](O)c1ccccc1O3)c(C)n2C 19581546 LWWKYMNXUATLNO-XZOQPEGZSA-N 436.552 3.879 0 40 IHAB COc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)COc1ccccc1C 19629632 UHTISFQIGAGKGH-UHFFFAOYSA-N 439.493 3.741 0 40 IHAB COCCOc1cccc(CN2CCC[C@H](c3nc(-c4ccccc4)c(C(N)=O)[nH]3)C2)c1 19698991 DZXJZYXSYKRTFI-FQEVSTJZSA-N 434.540 3.580 0 40 IHAB Cc1nc([C@]2(O)CCCN(C(=O)c3snnc3C)CC2)sc1COc1ccccc1 19705255 LQDPQNPKYINBKE-NRFANRHFSA-N 444.582 3.704 0 40 IHAB CC(=O)N(C)Cc1cc(N(C)C)nc([C@@H]2CCCCN2C(=O)c2oc3ccccc3c2C)n1 19709926 PRAULCLEGMVUNP-FQEVSTJZSA-N 449.555 3.943 0 40 IHAB CC1CCN(C(=O)CN2CCC([C@H]3CCCCN(Cc4ccccc4)C3=O)CC2)CC1 19744102 GSILLYAARSPCDW-XMMPIXPASA-N 425.617 3.786 0 40 IHAB Cc1nc([C@H]2CCCCN2C(=O)c2ccccn2)ncc1C(=O)NCc1ccc(F)cc1 19764941 YXVCYESVFJKZQH-OAQYLSRUSA-N 433.487 3.617 0 40 IHAB CCc1nn2c(=O)cc(CSc3nnc(-c4ccco4)n3-c3ccccc3)nc2s1 22039212 IZNASCVZBAVVMX-UHFFFAOYSA-N 436.522 3.846 0 40 IHAB COc1ccccc1[C@H](c1sc2nc(C)nn2c1O)N1CCN(c2ccccc2)CC1 22626910 ZCDCAXQEHUFEHF-HXUWFJFHSA-N 435.553 3.725 0 40 IHAB CCn1c(-c2ccco2)nn(CN2CCN(Cc3cc(C)ccc3OC)CC2)c1=S 23256875 JDUBFIZPJZESAH-UHFFFAOYSA-N 427.574 3.786 0 40 IHAB CCc1ccc(-c2nc(CC(=O)Nc3ccc(S(=O)(=O)N(C)C)cc3)cs2)cc1 23271188 SYMUDVSMMJLZIX-UHFFFAOYSA-N 429.567 3.804 0 40 IHAB COc1ccccc1NC(=O)C[C@H]1C(=O)N(Cc2cccnc2)c2nc3ccccc3n21 23411315 FKNHFCUMTDBMPI-FQEVSTJZSA-N 427.464 3.557 0 40 IHAB CS(=O)(=O)c1ccccc1C(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 23757990 LTYZIMXFFJSQAH-UHFFFAOYSA-N 445.544 3.932 0 40 IHAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)CCSCc2cn3ccccc3n2)c1 30716031 LFOHKQGPCUCVGH-UHFFFAOYSA-N 446.598 3.627 0 40 IHAB C[C@@H]1CN(Cc2ccc(CNC(=O)CCCc3nnc(-c4ccccc4)o3)cc2)C[C@@H](C)O1 32665576 MNTNQUDCFHNEAB-WOJBJXKFSA-N 448.567 3.985 0 40 IHAB CCn1c(=O)c(C)nc2cc(C(=O)N(C)CC(=O)Nc3ccc(Cl)c(Cl)c3)ccc21 32738193 HIXSVJQSGGZTEW-UHFFFAOYSA-N 447.322 3.742 0 40 IHAB COc1ccccc1Cc1nc2ccccc2n1S(=O)(=O)c1ccc2c(c1)OCCO2 35289002 CLLTZIRSOUKJMC-UHFFFAOYSA-N 436.489 3.644 0 40 IHAB O=C(CSCc1ccccc1)N1CCN(C2=NN=C(c3cccs3)CS2)CC1 36709920 JFMKEGXRGZWXQI-UHFFFAOYSA-N 430.624 3.633 0 40 IHAB CCc1ccccc1NS(=O)(=O)c1cc(-c2nn(C)c(=O)c3c2CCCC3)ccc1C 46027410 FOZKTYRKBHVKML-UHFFFAOYSA-N 437.565 3.998 0 40 IHAB O=C(CCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)Nc1ccc(C(=O)O)c(O)c1 54360727 UCCWRCVRBGHAPZ-SXGWCWSVSA-N 446.868 3.809 0 40 IHAB COc1ccc(C)cc1NC(=O)Cn1c(=O)n(-c2ccc(C)c(C)c2)c(=O)c2sccc21 57491261 DZEDHCBJJORCRB-UHFFFAOYSA-N 449.532 3.786 0 40 IHAB Cc1cc(F)ccc1-n1c(=O)c2sccc2n(CC(=O)Nc2cccc(Cl)c2)c1=O 57493419 RMCYOYATXXPZPD-UHFFFAOYSA-N 443.887 3.954 0 40 IHAB Cc1cc(Br)c(O)c(C(=O)OCC(=O)c2cnc(N3CCCCC3)s2)c1 62386970 HKUVTURHCGTATH-UHFFFAOYSA-N 439.331 3.950 0 40 IHAB CNS(=O)(=O)Cc1ccccc1CNCc1cc2ccccc2nc1N1CCCCC1 62580259 MDBIPONIFWCJEZ-UHFFFAOYSA-N 438.597 3.564 0 40 IHAB O=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2CCCc2ccccc2)cc1)C1CCCC1 67896618 FCVSNLSIDGNTMT-ILBGXUMGSA-N 436.552 3.709 0 40 IHAB biogenic,in-vitro Cc1cc(Nc2cnccn2)cc([C@@H]2CCCN(C(=O)CN3CCc4ccccc4C3)C2)n1 72374935 ZIFDFBOBAOCCHS-JOCHJYFZSA-N 442.567 3.688 0 40 IHAB COc1cc2c(cc1OC)CN(Cc1cccnc1S(=O)(=O)c1ccc(C)cc1)CC2 79476434 MRHCPLJLFSKGBB-UHFFFAOYSA-N 438.549 3.798 0 40 IHAB COc1cc([C@H](NC(=O)CN(C)Cc2ccccc2)C(F)(F)F)cc(OC)c1OC 95466237 DHOCOEAGHFKAQV-FQEVSTJZSA-N 426.435 3.564 0 40 IHAB COc1ccc([C@@H]2SCC(=O)Nc3c2c(O)nn3[C@@H]2CCOC(C)(C)C2)c(OC)c1 96117766 HFWUDNXEXUELCY-XIKOKIGWSA-N 433.530 3.511 0 40 IHAB COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1cnn(-c2cccc(Cl)c2)c1 108280166 ACKXZIXSPVYZJQ-UHFFFAOYSA-N 433.295 3.898 0 40 IHAB CC[C@H](NC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1)c1ccc(OC)c(OC)c1 219967830 KCZWQHZPRKLHBA-FQEVSTJZSA-N 446.569 3.511 0 40 IHAB C[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccc2c(c1)CCC2 223213728 RQCWGKCTLVDDEC-SFHVURJKSA-N 426.582 3.595 0 40 IHAB C[C@@H]1CCCN(CCCNC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(F)cc3)c2)C1 224178354 SKRIPYGUNNPZOZ-GOSISDBHSA-N 447.576 3.503 0 40 IHAB CC(C)Oc1ccc(N(CC(=O)Nc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)cc1 224963528 IRVMOFMWJVFAPQ-UHFFFAOYSA-N 445.585 3.869 0 40 IHAB CC[C@H](NC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O)c1ccc(OC)c(C)c1 225794313 KBYWWECTPBIDDN-SFHVURJKSA-N 438.977 3.999 0 40 IHAB Cc1ccc(=O)n(CC(=O)N2CCCC[C@@H]2c2ncc(Cc3cccc(Cl)c3)o2)n1 257271511 MYQAHDXZJOIXAK-LJQANCHMSA-N 426.904 3.538 0 40 IHAB Cc1cc(CN(C)C(=O)C[C@H]2CCCN(C(=O)c3ccc4c(c3)c(C)c(C)n4C)C2)no1 257278201 OBGLOGFNUTXVEW-LJQANCHMSA-N 436.556 3.992 0 40 IHAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@H]2[C@H](O)C[C@]2(C)[C@@H]3CC[C@@]2(O)[C@@H](C)OC(C)=O)C1 257350618 YSWRIYFDFKLCHS-CAKLIQMPSA-N 436.589 3.614 0 40 IHAB O=C1N(Cc2ccsc2)CCO[C@@]12CN(CCc1ccccc1)C[C@@H]2c1cccnc1 306131408 KDUFRPLLOXSLFE-ILBGXUMGSA-N 433.577 3.583 0 40 IHAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)OCC(=O)Nc2ccccc2Cl)CC1=O 408648410 XYFNGURLLSBWIW-LBPRGKRZSA-N 437.279 3.537 0 40 IHAB Cc1cccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)c1 408661009 ALUAIFWZNIWWCN-UHFFFAOYSA-N 440.496 3.851 0 40 IHAB Cc1ccc(C(=O)CN2C(=O)S/C(=C\c3cn(CC(=O)O)c4ccccc34)C2=O)cc1 409129940 LJZBPKZAPXLTDT-JMIUGGIZSA-N 434.473 3.954 0 40 IHAB Cc1ccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)N[C@@H](C)c3ccccc3)n2C)cc1 409134498 UEZZNTAGTYHTCE-IRXDYDNUSA-N 437.569 3.584 0 40 IHAB CC(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)c(Cl)c1 409383539 WLCWDAFJJISKCE-UHFFFAOYSA-N 435.304 3.837 0 40 IHAB CNS(=O)(=O)c1ccc(-c2nc(-c3cccc(Cn4cnc5ccccc54)c3)no2)cc1 518340858 UBWPYXHCPSBGES-UHFFFAOYSA-N 445.504 3.710 0 40 IHAB CO[C@@H]1C(=O)Nc2ccc(/C=C/[C@]3(C)CC[C@H](O)[C@@H](C)C3)c(O)c2[C@]1(O)c1ccccc1 1772591937 VHCOEFMALBJZLE-AHNRSTJKSA-N 437.536 3.796 0 40 IHAB CC(=O)N1CCC[C@H]1C(=O)N1CC[C@@H]2O[C@@H]3c4cc(Cl)ccc4OC(C)(C)[C@H]3C[C@@H]2C1 1848356576 IMKXOMSNWHLXFD-CVEIBUCKSA-N 446.975 3.817 0 40 IHAB C[C@@H]1CN(C(=O)CN2CCC(c3ccc4cc(-c5ccncc5)cnc4n3)CC2)C[C@@H](C)O1 1888926448 HGBXQRIMRSZMMY-RTBURBONSA-N 445.567 3.507 0 40 IHAB COc1ccc(-c2cnc(N3CCN(C(=O)[C@@]4(C)CC=CCC4)CC3)c3nccn23)cc1 2055739138 MIQNSUDMFSGAGC-VWLOTQADSA-N 431.540 3.800 0 40 IHAB COC(=O)c1ccc(CN2C(=O)C(Cl)=C(Nc3cc(Cl)ccc3OC)C2=O)cc1 937551 SOEYFXFYKRZOIH-UHFFFAOYSA-N 435.263 3.567 0 40 IHAB CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2Cc2ccco2)cc1 976419 VASVOZZONBHWOE-UHFFFAOYSA-N 433.493 3.915 0 40 IHAB Cc1ccccc1Nc1nnc(-c2ccc(C)c(S(=O)(=O)NCCO)c2)c2ccccc12 2299450 WXCSUWYEXFZGAU-UHFFFAOYSA-N 448.548 3.928 0 40 IHAB COc1ccc(CCn2c(N)c(C(=O)OC[C@@H]3CCCO3)c3nc4ccccc4nc32)cc1 2417407 SHDKTUKEYJCUKY-SFHVURJKSA-N 446.507 3.754 0 40 IHAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(O)cc2)N1Cc1ccc2c(c1)OCO2 2704044 WDKGCXWODPZUGW-QFIPXVFZSA-N 427.412 3.973 0 40 IHAB COc1cc(OC)c(C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1OC 3296776 WCZQCTHEUYXTPV-UHFFFAOYSA-N 448.781 3.575 0 40 IHAB Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)oc2c(Cl)cccc12 3423153 SYCKUJCHVKBLDV-UHFFFAOYSA-N 436.892 3.680 0 40 IHAB COc1cccc(Nc2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)s2)c1 3439274 YVPJGXNBLRKTDX-UHFFFAOYSA-N 430.511 3.792 0 40 IHAB O=C(CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O)NCCC1=CCCCC1 3502846 FACMMLHNFXAJFJ-SANMLTNESA-N 431.536 3.683 0 40 IHAB O=C(Nc1ccccc1C(=O)O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1Cl 6077280 XICHCUQWGXHIOL-UHFFFAOYSA-N 444.896 3.769 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCCC2=CCCCC2)cc1Cl 7881266 VJDWTPWQXVPFPT-UHFFFAOYSA-N 428.982 3.756 0 40 IHAB O=C(CN1CCCc2ccccc21)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl 9056427 IIQXGZAUSONJOH-UHFFFAOYSA-N 433.961 3.516 0 40 IHAB COc1ccccc1[C@@H]1CC(c2ccccc2NS(C)(=O)=O)=NN1C(=O)c1ccco1 9060590 QCNYTURJSKHHGX-IBGZPJMESA-N 439.493 3.651 0 40 IHAB Cc1cccc(N2N=C(C(=O)N3CCc4cc5c(cc4[C@H]3C)OCCCO5)CCC2=O)c1 9130485 KUJTZXNCPDBPTO-QGZVFWFLSA-N 433.508 3.785 0 40 IHAB CS(=O)(=O)c1ccccc1C(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 9244412 PNEXPBLWIBCEIS-UHFFFAOYSA-N 431.901 3.598 0 40 IHAB CCCn1nc(C(=O)Nc2cc3c(cc2Br)OCCO3)c2ccccc2c1=O 9455523 DBVGRJBXHYRJQA-UHFFFAOYSA-N 444.285 3.593 0 40 IHAB CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2ccc(OC)c(OC)c2)C1=O 9478685 QAATYARHOTXNCP-QHCPKHFHSA-N 428.460 3.663 0 40 IHAB COc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)c(OC)c1OC 9583833 ALIYDRAQDIOJEL-UHFFFAOYSA-N 428.466 3.859 0 40 IHAB COc1ccccc1-n1c(C)nnc1SCC(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 9715182 CONPNSYWJUSXQV-INIZCTEOSA-N 448.552 3.740 0 40 IHAB C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccs1)c1ccc2c(c1)OCCO2 9883866 QSFXGSLHVGVAAP-QFBILLFUSA-N 436.533 3.738 0 40 IHAB Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(C)c(C)c3)nc2O)cc1 9908979 FNDXUSNZMGSRJL-UHFFFAOYSA-N 443.550 3.671 0 40 IHAB Cc1occc1-c1nnc(S[C@@H](C)c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)n1N 9959720 XEFOWBAKXOWLFD-ONGXEEELSA-N 442.570 3.836 0 40 IHAB Cc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1NS(C)(=O)=O 10361499 BRSMFKCEJUWGOD-UHFFFAOYSA-N 437.521 3.549 0 40 IHAB C[C@@]1(c2ccc(F)c(F)c2)NC(=O)N(CC(=O)NC2c3ccccc3-c3ccccc32)C1=O 11583971 VSZQVSZAVRQLRR-VWLOTQADSA-N 447.441 3.618 0 40 IHAB Cc1ccc(C(=O)N[C@H](C(=O)Nc2nc3cc4c(cc3s2)OCCO4)C(C)C)cc1 11751587 RHCPEFPHSYGMGC-IBGZPJMESA-N 425.510 3.769 0 40 IHAB C[C@H]1CCCC[C@@H]1n1c(SCn2nnc3ccccc3c2=O)nnc1-c1cccnc1 12532214 FZJXJELKEJJQFU-KXBFYZLASA-N 433.541 3.946 0 40 IHAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)Cn2c(SC(F)F)nc3ccccc32)c1 12534990 MHGZNKZLHCUJKM-UHFFFAOYSA-N 449.435 3.563 0 40 IHAB COc1ccccc1-n1cnn(CN2CCN(c3ccc(C(C)=O)cc3F)CC2)c1=S 12565344 RSHZRUJHTGGTCR-UHFFFAOYSA-N 441.532 3.533 0 40 IHAB Cc1c(C)c(C)c(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3)CC2)c(C)c1C 12794641 GVHPPJLXYSWRGH-UHFFFAOYSA-N 428.598 3.946 0 40 IHAB Cc1cccc(OCCOC(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c1 12896223 LBKJPTHXRYYCKA-UHFFFAOYSA-N 431.554 3.635 0 40 IHAB CCC(C)(C)NC(=O)[C@@H](c1ccc(F)cc1)N(C(=O)Cn1nnc2ccccc21)C1CC1 13024675 SFWHXABHNMAEAR-JOCHJYFZSA-N 437.519 3.608 0 40 IHAB CCOC(=O)C1=C(CN(C)Cc2ccccc2C)NC(=O)N[C@@H]1c1ccc(Cl)cc1 13030238 PXYMYCOFEJTVAC-OAQYLSRUSA-N 427.932 3.952 0 40 IHAB Cn1c(CNC(=O)c2ccc(F)c(Cl)c2)nc2cc(NC(=O)c3cccnc3)ccc21 13687682 VCGDQGXEFDKMIO-UHFFFAOYSA-N 437.862 3.943 0 40 IHAB O=C(Cn1c(=O)n2nc(-c3ccccc3)nc2c2c3c(sc21)CCCC3)N1CCCCC1 13691124 IKIQHLZRUJTJNS-UHFFFAOYSA-N 447.564 3.664 0 40 IHAB Cc1ccc(C)c(N(CCCC(=O)NCCSCc2ccccc2)S(C)(=O)=O)c1 14398836 FHFTWFPKYBNMGK-UHFFFAOYSA-N 434.627 3.899 0 40 IHAB CCOC(=O)[C@H]1CCCN(CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 15350591 CGTWHBSGAFJQGR-NSHDSACASA-N 426.357 3.938 0 40 IHAB Cc1cc(-c2ccccc2)nc(SC(C(=O)N2CCCCC2)C(=O)N2CCCCC2)n1 16283723 IZLIPGSJHQPDCX-UHFFFAOYSA-N 438.597 3.938 0 40 IHAB Cc1ccc(CC(=O)N2CCC[C@@H](c3n[nH]cc3-c3ccnc(N4CCCC4)n3)C2)cc1 19209441 LLINJPSTTJGPEM-HXUWFJFHSA-N 430.556 3.724 0 40 IHAB Cc1cccc(C)c1OCC(=O)N1CCC[C@H]1c1nc(N(C)C)ncc1-c1ccncc1 19236046 XZTXMHHIRQLTIJ-NRFANRHFSA-N 431.540 3.964 0 40 IHAB Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)COc2ccccc2)cc(N(C)C)n1 19240864 YQNZBGOLHUBJFY-QFIPXVFZSA-N 429.524 3.811 0 40 IHAB O=c1cc2c(nn1Cc1c(Cl)cccc1Cl)-c1cnc(N3CCCC3)nc1CC2 19292637 AXDVTGKTAPKASP-UHFFFAOYSA-N 428.323 3.754 0 40 IHAB CC1CCC(N2CCc3nc([C@@H]4CCCN(C(=O)c5ccncc5)C4)nc(O)c3C2)CC1 19495967 KOKZUSBRQHRGKO-SKINQDTJSA-N 435.572 3.534 0 40 IHAB CCc1nnsc1C(=O)N1CC[C@@](Cc2cccc(-c3ccc(C)cc3)c2)(C(=O)NC)C1 19521839 OCNXKMPVBKKBME-VWLOTQADSA-N 448.592 3.897 0 40 IHAB COc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCN(c3ccccc3)CC2)cc1 19553538 OKVQPIRTVQSAKV-RUZDIDTESA-N 440.551 3.642 0 40 IHAB CN(C)C(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CN(C(=O)c2ccccc2)CCO1 19580721 AQSQBQDVCVAVNY-HHHXNRCGSA-N 428.532 3.896 0 40 IHAB Cc1ncccc1C(=O)N1CCC[C@@H]1c1nc(O)c2c(n1)CCN(C1CCC(C)CC1)C2 19582885 BNXWNKYCGMKCTN-CWZMJNCASA-N 435.572 3.800 0 40 IHAB CC1CCN(CC(=O)N2CCC[C@H](c3nc(N(C)C)ncc3-c3cccc(F)c3)C2)CC1 19694008 YMKLHNJVRYZHHP-FQEVSTJZSA-N 439.579 3.787 0 40 IHAB CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CCCN(C(=O)CC3CCCC3)C2)n1 19694030 OBFPFEVJUHFCCC-FQEVSTJZSA-N 435.572 3.595 0 40 IHAB COc1ccccc1CNC(=O)c1cncnc1CC1CCN(C(=O)[C@@H]2CC=CCC2)CC1 19756792 CYQMEJYKPCILQV-HXUWFJFHSA-N 448.567 3.553 0 40 IHAB Cc1nc(C2CCN(C(=O)Cn3ccnc3C(C)C)CC2)ncc1C(=O)Nc1ccccc1 19764246 YPTIIDYSVUTBCF-UHFFFAOYSA-N 446.555 3.763 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1 20021248 GCCMJIGGOZVPSZ-UHFFFAOYSA-N 448.438 3.893 0 40 IHAB O=C1c2ccccc2C(=O)N1CCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1 20953686 JNSXREFPAAYFMC-UHFFFAOYSA-N 431.458 3.509 0 40 IHAB CCC[C@@H](C)NC(=O)COc1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 22232320 BPCULTAIXOYICU-MRXNPFEDSA-N 438.977 3.990 0 40 IHAB COc1cccc(CSc2nc(CC(=O)Nc3cc(Cl)ccc3OC)cc(=O)[nH]2)c1 23138193 YLSJBCUEDLNNFC-UHFFFAOYSA-N 445.928 3.914 0 40 IHAB COc1cccc(NC(=O)C[C@@H]2C(=O)N(Cc3cccnc3)c3nc4ccccc4n32)c1 23411301 SPHFRXGNJPTDTH-OAQYLSRUSA-N 427.464 3.557 0 40 IHAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)OC(=O)c1nc(-c2ccccc2)oc1C 23947178 SEGQBQKQYJXPPM-KRWDZBQOSA-N 435.480 3.567 0 40 IHAB Cc1nc2ccccc2n1CCNC(=O)[C@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21 24381915 PSZDCCGALVHZOE-SFTDATJTSA-N 430.552 3.857 0 40 IHAB CC(C)c1ccccc1NC(=O)[C@H](C)Sc1nnc(CCC(N)=O)n1Cc1ccco1 24839409 MOJFIGOLADZNNY-HNNXBMFYSA-N 441.557 3.580 0 40 IHAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc3c(c2)nc(CN2CCOCC2)n3C)c1 26121646 ZSDCRMDNNVQYNP-UHFFFAOYSA-N 436.556 3.855 0 40 IHAB COc1ccc(N(CCC(=O)N[C@@H](C)C2CC2)S(=O)(=O)c2cccc(Cl)c2)cc1 32739432 QKDPMNNVKSNPSM-HNNXBMFYSA-N 436.961 3.849 0 40 IHAB C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO1)C(=O)Nc1ncccn1 32879767 HQZYKNYZQCUCKV-CABCVRRESA-N 449.540 3.515 0 40 IHAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cnn2c(-c3ccccc3)ccnc12 32916145 GMCIVTBBINKUJG-UHFFFAOYSA-N 435.434 3.775 0 40 IHAB COc1ccc2c(c1)c1nc(SCC(=O)Nc3cc(C)cc(C)c3)n(C)c(=O)c1n2C 33287641 JPLWSNITAVQVAC-UHFFFAOYSA-N 436.537 3.781 0 40 IHAB COC(=O)[C@@H](CC(C)C)NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1Cl 36575364 XWUDCZXMYUUTCY-SJLPKXTDSA-N 439.343 3.961 0 40 IHAB O=C1C[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2c(nc(Nc3ccccc3)[nH]c2=O)N1 40399216 IIDOOTBPWOQTHI-CQSZACIVSA-N 444.278 3.885 0 40 IHAB COc1ccc(NC(=O)CN2CCC(c3nc(-c4cccs4)no3)CC2)cc1OC 49403521 NIIRNNAPKMCSCG-UHFFFAOYSA-N 428.514 3.633 0 40 IHAB COc1ccc(CCNC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OC 57974325 QRRNIWKUGWDBNA-UHFFFAOYSA-N 434.492 3.580 0 40 IHAB COC(=O)[C@@H](C)Sc1ccccc1C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 58099362 SOYSQFJFARUSNR-KDOFPFPSSA-N 428.510 3.710 0 40 IHAB COc1cc(NC(=O)NCc2cccc(NC(=O)c3ccco3)c2)ccc1N1CCCC1=O 69841611 LIXQSKAKTYPZIO-UHFFFAOYSA-N 448.479 3.989 0 40 IHAB C[S@](=O)C[C@@H](NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)c1ccccc1 72298105 UAFNMVMWUGAGGB-KPURRNSFSA-N 441.574 3.510 0 40 IHAB CCN1C(=O)c2ccccc2C(=O)[C@@]2(C)CN([C@@H](C)Cc3ccc(OC)c(OC)c3)C[C@@H]12 72395491 DOZSQTWWWYDOLO-VPWGAPMNSA-N 436.552 3.684 0 40 IHAB Cc1nc(Cc2ccccc2)sc1C(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1 78771197 WVLMGSZFHLJOPR-UHFFFAOYSA-N 445.541 3.974 0 40 IHAB O=C(NCc1ccc(F)c(Cl)c1)c1ccc(Cn2c(=O)[nH]c3ccsc3c2=O)cc1 90610295 KUVRWSSSYNXZHS-UHFFFAOYSA-N 443.887 3.522 0 40 IHAB CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1cccc(C(=O)O)c1 108228270 XGSDYWLRHUTBIR-UHFFFAOYSA-N 426.498 3.614 0 40 IHAB CCOC(=O)c1ccc(C)c(NC(=O)COc2ccc(I)cc2)c1 219834422 GMSNMSZQEYBLQF-UHFFFAOYSA-N 439.249 3.794 0 40 IHAB CSc1cccc(N(CC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)c1 220072696 HYGPQIDZIWDOFB-GOSISDBHSA-N 434.583 3.593 0 40 IHAB COc1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)N(c1cccc(C)c1)S(C)(=O)=O)CC(C)(C)O2 220150085 YGLNKTMJEQYDMU-UZLBHIALSA-N 446.569 3.577 0 40 IHAB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](C)N(c2ccc(CC)cc2)S(C)(=O)=O)c1 220285473 FUVLGOLZIGCCSI-MRXNPFEDSA-N 432.542 3.527 0 40 IHAB CCCC(=O)N(Cc1ccc(OC)cc1)[C@H](Cc1ccccc1)C(=O)NCCCOC 223267436 VOXVTGZYUFEMQP-HSZRJFAPSA-N 426.557 3.588 0 40 IHAB COC(=O)c1ccc(NCCCOC(C)C)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 223420143 AKUNEQZFRUEPMM-UHFFFAOYSA-N 436.530 3.510 0 40 IHAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CSCc1ccc(Cl)cc1F 224212540 TUOPKGKHZIXUMM-UHFFFAOYSA-N 442.965 3.552 0 40 IHAB CCc1ccc([C@@H](C)NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1 224499253 YAILIUQUPXQZSU-CQSZACIVSA-N 439.375 3.655 0 40 IHAB CN(Cc1cccc(F)c1)C(=O)c1ccc(CN(C)S(=O)(=O)c2ccccc2)cc1 224518071 XQATWXLJGYYOEH-UHFFFAOYSA-N 426.513 3.919 0 40 IHAB Cc1ccccc1NS(=O)(=O)c1ccc(NS(=O)(=O)Cc2ccccc2F)cc1 224549365 WQECULATIWUXLW-UHFFFAOYSA-N 434.514 3.877 0 40 IHAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)COc1ccc(OC)cc1 224555209 CNZSRRHBUMDOAU-QHCPKHFHSA-N 426.557 3.962 0 40 IHAB CCCn1c(=O)sc2cc(S(=O)(=O)Nc3ccccc3C(=O)N[C@H](C)CC)ccc21 225725401 BOKSJJDPRCEKGZ-CQSZACIVSA-N 447.582 3.802 0 40 IHAB O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=NN12 229691780 DUBAAHJGMOUHKK-BJESRGMDSA-N 439.446 3.587 0 40 IHAB CCN1CCN(C(=O)CCc2cccnc2)[C@@H](Cc2ccccc2-c2ccccc2)C1=O 257201967 AJVZOPBCVFJTSH-VWLOTQADSA-N 427.548 3.983 0 40 IHAB COc1ccccc1CN1CC[C@H](c2cc3nc(C)c(CCC(=O)NC(C)C)c(C)n3n2)C1 257292304 QKWSVWWMTGCAMT-FQEVSTJZSA-N 449.599 3.801 0 40 IHAB CC[C@H](C(=O)N[C@H](C)c1cc(OC)ccc1OC)N(c1cc(C)cc(C)c1)S(C)(=O)=O 260759381 AYYQDJVFXCTORT-DYESRHJHSA-N 448.585 3.743 0 40 IHAB O=C(CN1C(=O)S/C(=C\c2cc3c(cc2Cl)OCO3)C1=O)Nc1ccc(F)cc1 408873975 XZTLEEUHKREYAT-SOFYXZRVSA-N 434.832 3.883 0 40 IHAB COC(=O)CSC1=NC(C)=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C)c(OC)c2)N1 408990885 OSLRPGWEDVUYGF-OAQYLSRUSA-N 439.537 3.823 0 40 IHAB CCOC(=O)C1CCN(C(=O)C2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)CC1 409051100 IVUBZRPLEWOACV-UHFFFAOYSA-N 428.573 3.638 0 40 IHAB COc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccccc3C)[C@H]2c2ccc(Cl)cc2)cc1 409059077 OVBONPFCSQLIQT-WAUWHALJSA-O 448.930 3.673 0 40 IHAB Cc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(F)cc3)[C@H]2c2ccc(Cl)cc2)cc1 409071913 QKRNPVOHBVULID-MYPDDRRYSA-O 436.894 3.804 0 40 IHAB CCn1c(CNC(=O)Cc2ccccc2)nnc1SCC(=O)Nc1ccc(C)c(C)c1 409174122 LKCJCWDAHGACIZ-UHFFFAOYSA-N 437.569 3.505 0 40 IHAB Cc1cc(C)c(C[C@@H](C(=O)N[C@H]2CCN(C(=O)c3ccccn3)C2)C(F)(F)F)c(C)c1 535897500 ADWDXSQKRMKHGV-HKUYNNGSSA-N 433.474 3.759 0 40 IHAB COc1cc2c(cc1NC(=O)N1CC[S@@](=O)C[C@H]1c1cnn(C)c1)oc1ccccc12 1615542075 SEOSJXBPDIPQEB-FZEVHQGJSA-N 438.509 3.666 0 40 IHAB CN(C)C[C@@H]1CCCC[C@H](CN(C)C)C1OC(=O)C(O)(c1ccccc1)c1ccccc1 1717443 NHDUKTKAHCJFPJ-OFFJZUQKSA-N 438.612 3.764 0 40 IHAB CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2sccc2C(N)=O)ccc1C 3352130 INSUUBFZUNJJLN-UHFFFAOYSA-N 443.550 3.623 0 40 IHAB O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)NCc1cccs1 3579958 QDUQEACGNJYTBI-UHFFFAOYSA-N 425.510 3.995 0 40 IHAB O=C(C1=NO[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12)c1ccc2ccccc2c1 3848909 FWCNVJZIFZZVKR-FXAWDEMLSA-N 449.260 3.729 0 40 IHAB biogenic COc1ccc(C(=O)/N=c2\sn(-c3ccc(Cl)cc3)nc2C(=O)N2CCCC2)cc1 8770664 BUHASLQFKFTXRL-ATJXCDBQSA-N 442.928 3.573 0 40 IHAB O=C(C[C@]1(O)C(=O)N(Cc2cccs2)c2ccc(Br)cc21)c1ccccn1 8992498 JMCHSTHUEOHSGV-HXUWFJFHSA-N 443.322 3.913 0 40 IHAB CCn1c(CNC(=O)c2ccco2)nnc1SCC(=O)c1cn(CC)c2ccccc12 9095965 YKDCRTBJTUYBQR-UHFFFAOYSA-N 437.525 3.771 0 40 IHAB CCOc1ccc([C@H]2Nn3c(CC)nnc3S[C@@H]2C(=O)Nc2ccc(OC)cc2)cc1 9197696 WYMFHUAREPBESY-UXHICEINSA-N 439.541 3.646 0 40 IHAB CCOc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2C[C@@H]2CCCO2)cc1OC 9408906 YKHSCQXPXAHAPH-FYSMJZIKSA-N 449.507 3.914 0 40 IHAB O=C(CCc1nc2ccccc2c(=O)[nH]1)OCc1nnc(-c2cc3c(s2)CCCC3)o1 9464662 BJOLBLKQAISNNL-UHFFFAOYSA-N 436.493 3.589 0 40 IHAB Cc1occc1-c1nnc(SCC(=O)NC(=O)NCc2ccco2)n1-c1ccccc1 9465911 DLZQXKJQGQUMER-UHFFFAOYSA-N 437.481 3.547 0 40 IHAB COc1ccc(-n2nnnc2SCC(=O)N[C@H](c2ccccc2)c2cccs2)cc1 9549042 BYPSZXHBYMWAJY-HXUWFJFHSA-N 437.550 3.730 0 40 IHAB COC(=O)c1c(C)[nH]c(C(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)c1C 9663770 SQQBOGUBWNLXCA-UHFFFAOYSA-N 435.436 3.651 0 40 IHAB O=C(NCc1ccc(Cl)cc1)C(=O)NC[C@H](c1cccs1)N1CCc2ccccc21 9708267 GCFBMEPBSYNAQK-HXUWFJFHSA-N 439.968 3.938 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NS(=O)(=O)c1ccc(Cl)s1 9714856 RSADWJPXHRRWHX-UHFFFAOYSA-N 434.992 3.685 0 40 IHAB Cc1cccc(-n2c(SCC(=O)c3c[nH]c4ccccc34)nnc2N2CCOCC2)c1 9724094 MEDYMJGPWHJWMZ-UHFFFAOYSA-N 433.537 3.869 0 40 IHAB Cn1c(=O)n(Cc2cccc3ccccc23)c(=O)c2c1nc1oc(-c3ccc(F)cc3)cn12 9789729 CVUPEWFPJSKKAH-UHFFFAOYSA-N 440.434 3.949 0 40 IHAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1 10145567 HQYALWNKSWGOJH-AEFFLSMTSA-N 435.549 3.645 0 40 IHAB COc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc(Br)cc2F)cc1OC 10869139 NTSVUZJHURCGER-XBXARRHUSA-N 438.249 3.801 0 40 IHAB COc1ccccc1-n1nnnc1SCC(=O)N(Cc1ccccc1)Cc1ccco1 10884638 GSOPUUJSQWZMJT-UHFFFAOYSA-N 435.509 3.585 0 40 IHAB COC(=O)c1ccc(NS(=O)(=O)c2cc(Br)ccc2Br)cc1 11635194 WPYJSOTVZOIKDS-UHFFFAOYSA-N 449.120 3.799 0 40 IHAB COc1ccc(C(F)(F)F)cc1NC(=O)CCCSc1ccc(NC(C)=O)nn1 11793476 FGAHDOLRRZVXNR-UHFFFAOYSA-N 428.436 3.973 0 40 IHAB CN(Cc1ccccc1Br)C(=O)CN1CCC[C@H](C(=O)Nc2ccccc2)C1 12326957 WHTFOQQOUHODFZ-SFHVURJKSA-N 444.373 3.758 0 40 IHAB COc1cc(C(=O)N2CCC[C@H]([C@@H]3CC(=O)c4ccccc4O3)C2)cc(OC)c1OC 12327701 PHKVCCDZDCESJZ-YWZLYKJASA-N 425.481 3.599 0 40 IHAB CCN(CC)CCN(C(=O)CS(=O)(=O)c1ccc(F)cc1)c1nc2ccccc2s1 12342201 JPXDEDADTCEMPG-UHFFFAOYSA-N 449.573 3.584 0 40 IHAB COCCn1c(SCC(=O)N2CCCC[C@@H]2C)nnc1-c1cc2ccccc2cc1O 12474687 PJWLKBADYYPDAG-INIZCTEOSA-N 440.569 3.943 0 40 IHAB COc1ccc(-c2nc(CSc3ccc(S(=O)(=O)N4CCCCC4)cn3)no2)cc1 12522102 HUPVIZYTPARPJO-UHFFFAOYSA-N 446.554 3.607 0 40 IHAB O=C(Cc1c(Cl)cccc1Cl)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1 12767981 AAQUMRHUUHHYDA-AWEZNQCLSA-N 446.334 3.980 0 40 IHAB COc1cc(CCC2CCN(CN3C(=O)N[C@]4(CCCC[C@H]4C)C3=O)CC2)cc(OC)c1 12943517 YDQOHLCNNABMOB-CJAUYULYSA-N 443.588 3.807 0 40 IHAB CNC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)c1 12988731 MAUQAINFRQLIOV-UHFFFAOYSA-N 443.912 3.753 0 40 IHAB COc1ccccc1-c1nn(CN(C)CC(=O)Nc2ccc(Cl)cc2)c(=S)n1C 13070160 IJSDUIYKZDFBSQ-UHFFFAOYSA-N 431.949 3.808 0 40 IHAB COc1ccc2cc(CN3C(=O)N[C@](C)(c4ccc5c(c4)OCO5)C3=O)c(Cl)nc2c1 13108391 BJABBPOTMHNAJK-JOCHJYFZSA-N 439.855 3.593 0 40 IHAB CCC(=O)N(c1ccc(F)cc1)C1CCN([C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 14010944 QMBDXVPLPVTGEK-NRFANRHFSA-N 441.478 3.504 0 40 IHAB Cn1c(COc2ccc(F)c(Cl)c2)nnc1SCC(=O)Nc1cccnc1Cl 14120332 RYJWLTIQSBSIOQ-UHFFFAOYSA-N 442.303 3.966 0 40 IHAB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)NC[C@@H]1CCCO1 16437554 ZYXXJHPQFGNASO-JQVXPOPVSA-N 446.257 3.819 0 40 IHAB COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)Sc1n[nH]c(=O)n1Cc1ccccc1 16818794 ZJUWQFRARDJOEM-ZDUSSCGKSA-N 432.933 3.709 0 40 IHAB CCc1c(C)nc(-n2nc(C)cc2C)n(CC(=O)Nc2cccc(C(F)(F)F)c2)c1=O 17317014 JMOUPXBGLFNPMW-UHFFFAOYSA-N 433.434 3.574 0 40 IHAB CCN1CCN(C(=O)c2ccnn2C)C[C@@H](Cc2ccccc2-c2ccc(C)cc2)C1=O 19527618 UZWSTWNNMMWGMS-JOCHJYFZSA-N 430.552 3.559 0 40 IHAB COc1ccc(OC)c(C(=O)N2CCNC(=O)[C@@H](Cc3ccc(-c4ccccc4)cc3)C2)c1 19551070 LSYJRUVVASOYDV-QFIPXVFZSA-N 444.531 3.802 0 40 IHAB COc1ccccc1Cc1cc(C)nc(C2CCN(C(=O)CC[C@H]3CCC(=O)N3)CC2)c1 19691721 WODRCHFWXFAQNO-JOCHJYFZSA-N 435.568 3.754 0 40 IHAB CNc1cc([C@@H]2CCCNC2)nc(CN(C)CC(=O)Nc2ccccc2-c2ccccc2)n1 19709949 VFHCDQWOBRBIOO-HXUWFJFHSA-N 444.583 3.723 0 40 IHAB Cc1ccc(CCCNC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3)C2)cc1 19866663 MEKPSSJXHILLCA-NRFANRHFSA-N 449.016 3.939 0 40 IHAB CCc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(F)cc2)cc1 20007777 BXDKVTHURWSOBL-JOCHJYFZSA-N 426.513 3.916 0 40 IHAB CCC(C)(C)n1nnnc1[C@H](c1ccccc1OC)N1CCN(C2CCCCC2)CC1 20140070 RZGFCIXNRWMHQZ-QFIPXVFZSA-N 426.609 3.867 0 40 IHAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cccc(C(F)(F)F)c2)c1 22229880 HFXRJTLBVZQDPD-QGZVFWFLSA-N 442.459 3.814 0 40 IHAB O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)Nc1ccccc1-c1ccccc1 22940583 CUWDCYUEALPJNE-UHFFFAOYSA-N 429.520 3.839 0 40 IHAB COc1cccc(CSc2nc(C)c(CC(=O)NCc3ccccc3Cl)c(=O)[nH]2)c1 23138555 AYPFOJQISGMNSA-UHFFFAOYSA-N 443.956 3.892 0 40 IHAB C[C@@H](Nc1ccc(N2CCCC2=O)c(Cl)c1)C(=O)Nc1ccc(N2CCOCC2)cc1 24759403 OMKCEPZROCEANY-MRXNPFEDSA-N 442.947 3.743 0 40 IHAB Cc1nn(C)c2c(N3CCN(C(=O)c4c(F)cccc4Cl)CC3)nc(C(C)C)nc12 28557711 KYPRAMIXHBLVJC-UHFFFAOYSA-N 430.915 3.550 0 40 IHAB CC(=O)Nc1ccc(NC(=O)c2cc(S(C)(=O)=O)ccc2Cl)c(C(F)(F)F)c1 29030606 DOKAMRGHJOOHQH-UHFFFAOYSA-N 434.823 3.973 0 40 IHAB COc1ccc(CCC(=O)N2CCC(c3nnc4ccccn34)CC2)cc1Br 30613952 CXQPKBHLNGGEOQ-UHFFFAOYSA-N 443.345 3.839 0 40 IHAB CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)c1cc(Br)ccc1O 31246235 ZCKYJRJTKQPZBT-UHFFFAOYSA-N 445.235 3.719 0 40 IHAB Cn1cnnc1[C@@H]1CCCN(Cn2nc(-c3ccc(C(C)(C)C)cc3)n(C)c2=S)C1 32911759 ZWOLOMLKPBPLBT-QGZVFWFLSA-N 425.606 3.881 0 40 IHAB C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)N1CCN(C(=O)c2ccc3[nH]cnc3c2)CC1 40158575 RMJQZNOGJCYRLO-QGZVFWFLSA-N 434.540 3.612 0 40 IHAB COc1ccc(Cl)cc1N([C@@H](C)C(=O)N[C@H]1CCCc2ccccc21)S(C)(=O)=O 44841331 LEPWFQOAQXJZPK-KSSFIOAISA-N 436.961 3.697 0 40 IHAB CC(C)C[C@@H](NC(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O)c1ccccc1 44885460 NKEQHCKTFJTVIQ-YLJYHZDGSA-N 446.569 3.516 0 40 IHAB COc1cccc(OC)c1C(=O)NC(=S)Nc1cc(NC(=O)c2ccco2)ccc1C 57315619 PTSGIJLJAZQLCV-UHFFFAOYSA-N 439.493 3.984 0 40 IHAB S=c1n(CN2CCN(c3ncccn3)CC2)nc(-c2cccs2)n1-c1ccccc1 57389483 BTAKZDCCLYEMAU-UHFFFAOYSA-N 435.582 3.701 0 40 IHAB CCCC[C@H](c1nnnn1C[C@H]1CCCO1)N1CCN(c2cc(Cl)ccc2C)CC1 57670426 OGUBPMJTJBZRDL-WOJBJXKFSA-N 433.000 3.867 0 40 IHAB CCNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCN(C(=O)COc2ccccc2)C1 57775204 IVSABQUQYCZLPK-AREMUKBSSA-N 447.535 3.708 0 40 IHAB Cc1c(C(=O)Nc2ccc(F)c(F)c2)nnn1CC(=O)Nc1ccccc1C(F)(F)F 67323432 HFOIOPFKAKTYCA-UHFFFAOYSA-N 439.344 3.775 0 40 IHAB CCOC(=O)c1cc2cc(NC(=O)NC[C@@H]([C@@H]3CCOC3)N3CCCC3)ccc2s1 69951175 WRWOQKVVLPKIGZ-QAPCUYQASA-N 431.558 3.700 0 40 IHAB O=C(NCC1CCN(C(=O)c2ccncc2)CC1)c1cc(Br)ccc1Cl 70926168 GBSGBAHENWZABV-UHFFFAOYSA-N 436.737 3.780 0 40 IHAB CCCN1CCN(C(=O)c2cnn(C)c2C)[C@@H](Cc2ccccc2-c2ccccc2)C1=O 72351604 FSIVDVRDDZGMAK-DEOSSOPVSA-N 430.552 3.701 0 40 IHAB COc1cccc(Cn2c(=O)[nH]c3cc(-c4nc(-c5ccccc5C)no4)ccc3c2=O)c1 85601857 NYRRDRJIIBPFEO-UHFFFAOYSA-N 440.459 3.772 0 40 IHAB Cc1c(C(=O)Nc2cccc(C(=O)N3CCCC[C@H]3CCO)c2)cnn1-c1ccccc1 89544991 MUHIVMLWLALLGK-NRFANRHFSA-N 432.524 3.810 0 40 IHAB COc1cccc2c1O[C@@]1(C)C[C@H]2[C@H](S(=O)(=O)c2ccc(C(C)C)cc2)C(=O)N1C 100894862 ZZWVBVTUIWYUAT-JZWVFAODSA-N 429.538 3.715 0 40 IHAB Cc1cc(O[C@@H](C)C(=O)NC[C@H]2CC[C@H](C(=O)O)CC2)c2c3c(c(=O)oc2c1)CCCC3 101220861 LTYQOLVSUIPHPB-YESZJQIVSA-N 441.524 3.755 0 40 IHAB COc1cccc(C(=O)COc2cccc(N3C(=O)[C@@H]4[C@@H]5C=C[C@H]([C@H]6C[C@@H]65)[C@H]4C3=O)c2)c1 101880501 OZCJJVZTRAHVEG-JGELFBEGSA-N 429.472 3.514 0 40 IHAB O=C(NCc1ccco1)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CCCC2 102345238 SISLPRPSHIFJOM-UHIXZJCNSA-N 440.521 3.611 0 40 IHAB CS(=O)(=O)N(CC(=O)N[C@@H]1CCCc2ccccc21)c1ccc(C(F)(F)F)cc1 220049876 VFUPEVLYQPDTAS-GOSISDBHSA-N 426.460 3.665 0 40 IHAB COc1ccc2c(c1)[C@@H](NC(=O)c1cccc(N3CCCCS3(=O)=O)c1)CC(C)(C)O2 222562177 SZXMNVZVIYIJMH-FQEVSTJZSA-N 444.553 3.657 0 40 IHAB COc1cccc(N(C)C(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)cc(C)cc3C)C2)c1 222566169 HYJGSLXGJOJWJI-IBGZPJMESA-N 430.570 3.684 0 40 IHAB Cc1ccccc1N(CCCC(=O)N1CCN(c2cccc(C)c2C)CC1)S(C)(=O)=O 223174285 UXDFVZLZWXNIFZ-UHFFFAOYSA-N 443.613 3.507 0 40 IHAB CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CCCO1 223198759 CHJDQMGHJLXICT-PKTZIBPZSA-N 426.532 3.861 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCCOc1ccc(F)cc1 224101526 PNIWRTWSSDNMIH-UHFFFAOYSA-N 434.533 3.508 0 40 IHAB COC(=O)CN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccc(OC)c(F)c1 225115681 KCHPUHDGXQLIOY-UHFFFAOYSA-N 429.469 3.870 0 40 IHAB CC[C@H](NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1)c1ccccc1 225478298 QOMWXOBDMIOVJV-HNNXBMFYSA-N 436.946 3.873 0 40 IHAB NS(=O)(=O)c1ccc(NC(=O)CCc2nc(-c3ccc(-c4ccccc4)cc3)no2)cc1 225832399 VMIHLKQOQSERAB-UHFFFAOYSA-N 448.504 3.622 0 40 IHAB COc1cccc(N(C)C(=O)C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)c1 226076522 BLWHXMUFEYYSPV-UHFFFAOYSA-N 430.570 3.684 0 40 IHAB Cn1ccnc1COc1ccc(CN2CCC(O)(COc3ccc(F)cc3)CC2)cc1 257307861 TUKOVDYQMORMGB-UHFFFAOYSA-N 425.504 3.544 0 40 IHAB Cc1nn(C)cc1-c1cc(C(=O)N2CCC[C@@H](c3ncc(Cc4ccccc4)o3)C2)on1 257323973 WMQFHNJETPLDKW-GOSISDBHSA-N 431.496 3.982 0 40 IHAB CCn1c(=O)oc2cc(S(=O)(=O)N3c4ccc(Br)cc4C[C@H]3C)ccc21 260743317 OSCGTEVAAZBXNF-LLVKDONJSA-N 437.315 3.517 0 40 IHAB CC[C@H](C(=O)N[C@H](C)c1ccc2c(c1)CCCC2)N(c1ccc(OC)cc1)S(C)(=O)=O 260912140 AIYRSZLNYVSKMP-UZUQRXQVSA-N 444.597 3.996 0 40 IHAB COc1ccc(F)cc1-c1ccc2nc([C@H]3CCCN(C(=O)c4ccncc4)C3)nn2c1 306137555 QZSXBSXTAZISCK-SFHVURJKSA-N 431.471 3.959 0 40 IHAB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1cccs1 408659535 VXRWTSUZXCGPBD-KBPBESRZSA-N 430.913 3.817 0 40 IHAB Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)NCc1cccnc1 408678749 VAJAJHAPLMFZBR-UHFFFAOYSA-N 445.928 3.539 0 40 IHAB O=C(NCCSc1ccccn1)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 408885126 WZFCJBPAIMAQPX-UHFFFAOYSA-N 446.620 3.922 0 40 IHAB O=C(C[C@H]1Oc2ccccc2NC1=O)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1 507886752 HXZXJPQHFSHXNW-LJQANCHMSA-N 448.441 3.660 0 40 IHAB NS(=O)(=O)c1ccc(CNC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)s1 624689540 PEVGJGGCXDSXTO-UHFFFAOYSA-N 439.518 3.648 0 40 IHAB CS(=O)(=O)N1CCC[C@@H](c2nnc3sc(-c4ccc(-c5ccccc5)cc4)nn23)C1 1505838473 ZGWWWOFPMJEFEI-GOSISDBHSA-N 439.566 3.659 0 40 IHAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c(C)c1 683069 HLUFEURWVFTCSV-OAHLLOKOSA-N 431.539 3.967 0 40 IHAB CCC(C)(C)n1nnnc1CN(Cc1cccnc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O 926475 SKBKRXVCOYKRFT-UHFFFAOYSA-N 445.571 3.874 0 40 IHAB CCOc1ccc(Cc2nnc(Cc3ccc(OCC)c(OCC)c3)n2N)cc1OCC 1087889 AFLRNRMRKDHSIV-UHFFFAOYSA-N 440.544 3.768 0 40 IHAB Cc1ccc(N(C(=O)Cc2n[nH]c(N)n2)C2(C(=O)Nc3ccccc3C)CCCCC2)cc1 1107130 FYGFQFAMNTWMSS-UHFFFAOYSA-N 446.555 3.921 0 40 IHAB Cc1ccc(S(=O)(=O)N(Cc2nc3ccccc3c(=O)[nH]2)Cc2cccs2)cc1 1359944 QBJQEVSEWDMEMB-UHFFFAOYSA-N 425.535 3.684 0 40 IHAB COc1cc2cc(CN(Cc3ccc(C)cc3)C(=O)C(F)(F)F)c(=O)[nH]c2cc1OC 1377557 SIABDVDZFABKHV-UHFFFAOYSA-N 434.414 3.945 0 40 IHAB C[C@@H](Sc1nnc(-c2ccc(OC(F)F)cc2)n1N)C(=O)N1CCCc2ccccc21 3379057 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CCOc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCOC)cc1OC 9409060 LTGSKJNLOQXNNW-QHCPKHFHSA-N 437.496 3.771 0 40 IHAB Cc1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1OCC(=O)N(C)Cc1ccccc1 9426727 MIIDRYAUDUJVKG-UHFFFAOYSA-N 442.512 3.972 0 40 IHAB Cc1cc(C(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)c(C)n1-c1ncn[nH]1 9712205 HXZNLZHGVHIWRL-UHFFFAOYSA-N 433.541 3.704 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2sc(C)c(C)c2C(N)=O)cc1 9714690 VHJDOTUNKLJVPD-UHFFFAOYSA-N 443.550 3.825 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)NC[C@@H](c2cccs2)S(=O)(=O)c2cccs2)c1 9742691 NDRSHTRZWMSZMH-KRWDZBQOSA-N 441.621 3.920 0 40 IHAB Cc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)cc1 10708415 HMELBZJKYNWUBE-UHFFFAOYSA-N 441.380 3.768 0 40 IHAB C[C@@H](OC(=O)C1c2ccccc2Oc2ccccc21)C(=O)NCc1ccc2c(c1)OCO2 10797933 GCJZKVSZWVJKEI-OAHLLOKOSA-N 431.444 3.901 0 40 IHAB Cc1cc(OS(=O)(=O)c2ccc(I)cc2)n(-c2ccccc2)n1 11691536 XXUKICQEYKNUCK-UHFFFAOYSA-N 440.262 3.553 0 40 IHAB O=C(Cn1nc2c3ccccc3nc(C3CC3)n2c1=O)NC(c1ccccc1)c1ccccc1 12182448 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CCOc1ccccc1[C@H](C(=O)NC1CCCCC1)N(C(=O)c1csnn1)C1CC1 12873210 GAOCTTGTUBNODW-HXUWFJFHSA-N 428.558 3.732 0 40 IHAB Cc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Br)s2)c(C)c1 12923536 MWFUJNZMLMAYHF-AWEZNQCLSA-N 443.388 3.919 0 40 IHAB Cc1sc2nc([C@@H](C)OC(=O)C[C@@H]3Sc4ccccc4NC3=O)[nH]c(=O)c2c1C 13146475 MFLDCOSQJBXJDF-YGRLFVJLSA-N 429.523 3.709 0 40 IHAB Cc1cc(C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)Cc4ccc5c(c4)OCO5)C3)cc2n1 13225532 YXVDLOHKZDFNKW-OAHLLOKOSA-N 446.429 3.734 0 40 IHAB CC(C)CCNC(=O)CN(Cc1ccccc1Cl)C(=O)CCC(=O)Nc1ccccn1 13501515 HFKDMPHUYCQLDB-UHFFFAOYSA-N 444.963 3.645 0 40 IHAB CCOc1ccc([C@H](c2nnnn2Cc2ccco2)N2CCN(c3ccccc3)CC2)cc1 13505073 JMNYASWZLWONLZ-XMMPIXPASA-N 444.539 3.625 0 40 IHAB CCS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)Oc2ccccc21 13680605 RGYTVISWJZICHO-INIZCTEOSA-N 448.850 3.915 0 40 IHAB Cc1cc(OCC(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)ccc1Br 13683666 IJSCAGUMCBIKFG-INIZCTEOSA-N 447.329 3.684 0 40 IHAB O=S(=O)(NC[C@H]1CN(Cc2ccccc2)CCO1)c1ccc(Cl)cc1C(F)(F)F 14085162 IBVICRSVRPSYIS-INIZCTEOSA-N 448.894 3.538 0 40 IHAB C[C@H](NC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O)c1ccc2c(c1)OCO2 14094572 SDFLPNUNNSYYPB-AWEZNQCLSA-N 433.489 3.731 0 40 IHAB CN(C)S(=O)(=O)c1cccc(Cn2cnc3scc(-c4ccc(F)cc4)c3c2=O)c1 14128946 CRKWDEYXHSYLPV-UHFFFAOYSA-N 443.525 3.563 0 40 IHAB Cc1ccc(N(CC(=O)NCc2ccncc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 14153702 DPRVTWYEFDMZOO-UHFFFAOYSA-N 429.929 3.555 0 40 IHAB Cc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c(C)c1 14245833 HIFKREFZQLNWFM-UHFFFAOYSA-N 428.598 3.980 0 40 IHAB CN(CCCNC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)c1ccccc1 14597783 XCVFBLIQAQLKCT-UHFFFAOYSA-N 429.586 3.508 0 40 IHAB CC(C)OC(=O)C[C@H](NC(=O)CCn1c(=O)n(C)c2ccccc21)c1ccccc1Cl 14806773 TYFCULWWJIYBIY-SFHVURJKSA-N 443.931 3.583 0 40 IHAB O=C(NC1CCCCC1)N[C@@H](CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 16480225 ROPWVJZLQNHKMZ-QFIPXVFZSA-N 438.524 3.864 0 40 IHAB CCC(=O)NC(=S)Nc1ccc(NC(=O)COc2ccc(Br)cc2)cc1 17099987 HMBCTBUOPFQYBZ-UHFFFAOYSA-N 436.331 3.690 0 40 IHAB CC[C@H](OC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1C)C2=O)C(=O)Nc1cc(C)on1 17230600 OEPLWWFNMRJVQU-IBGZPJMESA-N 447.447 3.666 0 40 IHAB COc1cn(CC(=O)Nc2ccc(C(F)(F)F)cc2)c(CN2CCC(C)CC2)cc1=O 17245997 XVNPAFHGEVNHLD-UHFFFAOYSA-N 437.462 3.746 0 40 IHAB O=C(C[C@@H]1C=CCC1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(Cc1cccs1)C2 19343681 KRDIPOAUYWQLDT-UTKZUKDTSA-N 438.597 3.800 0 40 IHAB CC(C)N1CCc2nc3cc(C4CCN(C(=O)[C@@H](C)c5ccccc5)CC4)nn3c(O)c2C1 19448117 FTSODQDPMRQUOL-SFHVURJKSA-N 447.583 3.711 0 40 IHAB CCc1ncc(CN2CCN(CC)C(=O)[C@H](Cc3ccc(-c4ccncc4)cc3)C2)cn1 19523429 FDDWTZPRMYBWFS-XMMPIXPASA-N 429.568 3.624 0 40 IHAB CN(C(=O)CN1CCO[C@H](c2ccc(Cc3ccccc3F)cn2)C1)C1CCCCC1 19686906 JDPCFJLLDLDVGI-DEOSSOPVSA-N 425.548 3.976 0 40 IHAB COc1ccc(-c2cnc(N(C)C)nc2C2CCN(C(=O)CCn3nccc3C)CC2)cc1 19695109 PZVDZVIUYGCPRJ-UHFFFAOYSA-N 448.571 3.519 0 40 IHAB CN(C)c1ncc(-c2ccc(F)cc2)c(C2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)n1 19695143 DRMNWKLXYQRXLO-UHFFFAOYSA-N 434.519 3.580 0 40 IHAB CCOCc1cc(CN2CCC(c3nc(C)c4c(n3)N(C)C(=O)CC4)CC2)ccc1OC 19739278 PEVAGPJCQUZQTM-UHFFFAOYSA-N 438.572 3.619 0 40 IHAB Cc1ncc(C(=O)N2CCCC[C@@H]2c2ncc(C(=O)Nc3ccc(F)cc3)c(C)n2)c(C)n1 19765020 ANRSDIFLMXIMCK-OAQYLSRUSA-N 448.502 3.951 0 40 IHAB COc1ccc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1S(=O)(=O)NC(C)C 20024731 ZJBTXISWJJIOEN-UHFFFAOYSA-N 434.411 3.792 0 40 IHAB CCN(c1ccc(C)cc1C)S(=O)(=O)c1nnc(NC(=O)c2cccc(OC)c2)s1 20486767 RERQCUXYJIEQPR-UHFFFAOYSA-N 446.554 3.631 0 40 IHAB CCN1CCc2nc(NC(=O)CCc3c(C)nc4c5ccccc5nn4c3C)sc2C1 21296663 FXLNWFSGAJEWIW-UHFFFAOYSA-N 434.569 3.905 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccccc2)c2ccccc2F)cc1 22377774 DULQDVCCJOXMKV-KRWDZBQOSA-N 442.512 3.907 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2OC)c2ccccc2)cc1C 22382905 ONLRMDXSEYRNMQ-UHFFFAOYSA-N 440.521 3.846 0 40 IHAB COc1cccc(N(CC(=O)NCc2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)c1 22431045 IWRLDTCDCAOATP-UHFFFAOYSA-N 442.512 3.654 0 40 IHAB Cc1ccnc2nc(C(=O)Nc3cc(Cl)cc(Br)c3OC(F)F)nn12 24986197 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COc1ccc([C@@H]2CC(=O)N(c3ccccc3)c3c2sc(=O)n3C)c(OC)c1OC 49544812 QKOSJSOORHXMJO-HNNXBMFYSA-N 426.494 3.673 0 40 IHAB CC(C)Cc1noc(CN2Cc3ccccc3C[C@H]2C(=O)NCCc2ccc(F)cc2)n1 58024774 WKBDMOCEKBKCCC-QFIPXVFZSA-N 436.531 3.693 0 40 IHAB C[C@@H](NC(=O)c1cc(Br)ccc1F)c1cc(F)ccc1N1CCN(C)CC1 58159518 ZNILFNPMZNAQBO-CYBMUJFWSA-N 438.316 3.970 0 40 IHAB CSc1cccc(NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)c1 63459505 IMORSADMQNSIHD-UHFFFAOYSA-N 429.361 3.576 0 40 IHAB CCOC(=O)c1ccc(NC(=O)Cn2c(Nc3cc(C)cc(C)c3)nc(C)cc2=O)cc1 67246333 KDCMMPPXLJZREP-UHFFFAOYSA-N 434.496 3.728 0 40 IHAB Cc1cc(-c2cc(=O)n(CC(=O)N[C@@H](C)c3cccs3)nc2-c2cccs2)on1 72337296 VTLPYNGSTPTDDN-ZDUSSCGKSA-N 426.523 3.874 0 40 IHAB COc1ccc(CC(=O)N2CCC[C@H](c3cccc(-c4cccc(C(N)=O)c4)n3)C2)cc1 72349560 TXFBRPHRJIRXFZ-NRFANRHFSA-N 429.520 3.805 0 40 IHAB O=C(CCc1nc2ccccc2[nH]1)N1CC[C@H](c2cc(CCOc3ccc(F)cc3)[nH]n2)C1 72371579 WMFPJWDZBHIXFX-KRWDZBQOSA-N 447.514 3.995 0 40 IHAB COc1ccc(-c2cc(C[C@@H]3CC[C@H](O)[C@@H](CNCc4cccc(OC)c4)O3)no2)cc1 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YEWPNMYITYHZDZ-UHFFFAOYSA-N 442.512 3.654 0 40 IHAB C[C@H]1Cc2ccccc2N1C(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl 222827155 YATXINFODNMXEB-HNNXBMFYSA-N 448.972 3.918 0 40 IHAB COc1ccc(OCCNC(=O)CCCN(c2ccccc2C(C)C)S(C)(=O)=O)cc1 224839624 OKFHPCBUZKKVFT-UHFFFAOYSA-N 448.585 3.560 0 40 IHAB COc1ccccc1OC[C@@H](C)NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1C 225434050 FDTHRQSRCOKANI-AFDUHFSSSA-N 434.492 3.951 0 40 IHAB O=C1CC2(CCN(S(=O)(=O)c3cccs3)CC2)Oc2ccc(Br)cc21 225823225 NXEHCSANLIOHBD-UHFFFAOYSA-N 442.356 3.699 0 40 IHAB CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)s1 225856724 BFCIBJLQMOYDNK-UHFFFAOYSA-N 442.872 3.996 0 40 IHAB C[C@@H]1C[C@@H](C)CN(c2cc(N3CCCCCC3)nc(NC(=S)NC[C@@H]3CCCO3)n2)C1 225908779 PWGYKLXRLMPZPO-QRVBRYPASA-N 446.665 3.805 0 40 IHAB c1ccc(COc2ccccc2CN2CCOC[C@H](Cc3cccn4nccc34)C2)nc1 257242069 IAYDBXUTUSFYJP-OAQYLSRUSA-N 428.536 3.999 0 40 IHAB CCOc1ncccc1C(=O)NC[C@H]1CC[C@H](c2ccnc3nc(C(F)(F)F)nn32)CC1 257245137 IOEYYEAZHFYWSV-HDJSIYSDSA-N 448.449 3.641 0 40 IHAB COc1cccc(C(=O)N2CCN(C(C)=O)C[C@@H]2c2ccccc2)c1OCc1ccccn1 257330896 XQLZZHVAGVMRAV-HSZRJFAPSA-N 445.519 3.715 0 40 IHAB CCc1ccc(N([C@H](C)C(=O)Nc2nnc(-c3ccccc3)s2)S(C)(=O)=O)cc1 260762292 HGGLNFZNMKUSCH-CQSZACIVSA-N 430.555 3.561 0 40 IHAB COC(=O)c1cccc(NC(=O)CSc2nnc(COc3ccc(C)cc3C)n2C)c1 408596994 XMXSCFGYHDAQNT-UHFFFAOYSA-N 440.525 3.528 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCc2ccc(Cl)cc2Cl)cc1 408609550 TYQNBNCRKVPOMC-UHFFFAOYSA-N 445.368 3.719 0 40 IHAB C[C@@H](CCc1ccccc1)NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 408622317 BWPTZGDPPRAKJJ-AWEZNQCLSA-N 429.369 3.897 0 40 IHAB C[C@@]1(C(=O)Nc2ccc(N3CCOCC3)cc2)CCC(=O)N1CCc1c[nH]c2ccccc12 575443901 UUSNRMBIHDMANV-SANMLTNESA-N 446.551 3.567 0 40 IHAB Cc1nocc1C(=O)N1CCC2(CC1)C[C@H](COCC1CC1)N(C(=O)c1ccccc1)C2 585103696 NKYRXGHFFIDEHZ-OAQYLSRUSA-N 437.540 3.547 0 40 IHAB COc1ccc([C@@H]2CN(C(=O)c3ccc(OC)c(NCc4ccncc4)c3)CCN2C)cc1 585262088 USYVRGXZPJCCND-DEOSSOPVSA-N 446.551 3.840 0 40 IHAB O[C@@]1(COc2ccc(Cl)cc2)COCCN(C[C@]2(O)CC[C@@H](c3ccccc3)CC2)C1 585285892 DPAWFQAHMBFKQQ-IEZKXTBUSA-N 445.987 3.871 0 40 IHAB COc1ccccc1-c1ccc([C@H](C)NC(=O)c2cnn(-c3ccc(O)nn3)c2C)cc1 607702743 HUDNTMUBPIEETM-HNNXBMFYSA-N 429.480 3.843 0 40 IHAB Cc1ncsc1C(=O)N1CCC[C@@]2(CCCCc3ccccc3OCCN(C)C2=O)C1 643561353 GXANTNKFOGUZPI-DEOSSOPVSA-N 441.597 3.938 0 40 IHAB COCC(=O)N1CCCCCCCCN(S(=O)(=O)c2cccnc2)Cc2ccccc21 2037884930 JNZKIQNPFWRIQG-UHFFFAOYSA-N 445.585 3.606 0 40 IHAB COc1ccc(N(CC(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 662044 PIPYFOAQYZLLNA-UHFFFAOYSA-N 446.569 3.656 0 40 IHAB Cc1cc(C)c2cc(C)c3nnc(SCC(=O)NCc4ccc5c(c4)OCO5)n3c2c1 877214 BABCXYYBWFBPBO-UHFFFAOYSA-N 434.521 3.945 0 40 IHAB Cc1ccc(C(=O)[C@H](C)OC(=O)[C@H]2CC(=O)N(c3ccc(C(=O)OC(C)C)cc3)C2)cc1 993291 HJVJNMRZYCZMLA-PXNSSMCTSA-N 437.492 3.728 0 40 IHAB COc1cccc(NC(=O)/C(Cl)=C(/Cl)S(=O)(=O)Cc2ccccc2Cl)n1 1387418 ZYUQHZNSCVZPGD-CCEZHUSRSA-N 435.716 3.944 0 40 IHAB COc1ccc(CCNC(=O)c2sc(=S)n3c2[nH]c(=O)c2sccc23)cc1OC 2956430 SVBHGFVFYHADFP-UHFFFAOYSA-N 447.563 3.623 0 40 IHAB COc1cc(C(=O)N[C@H](C(=O)N[C@H]2CCCc3ccccc32)C(C)C)cc(OC)c1OC 3437618 ZFZCJBLYESDOLS-UGKGYDQZSA-N 440.540 3.661 0 40 IHAB COc1ccc(CNC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1 3506049 VWCOIWCXBMGDFB-UHFFFAOYSA-N 431.521 3.746 0 40 IHAB COc1ccc(C(=O)N2CCCc3cc(C4=NNC(=O)S[C@H]4C)ccc32)cc1OC 3794726 IZLRMTJLQCLMKF-ZDUSSCGKSA-N 425.510 3.846 0 40 IHAB CCn1c(CC(=O)Nc2ccccc2C)nnc1SCC(=O)N[C@@H]1CCCC[C@@H]1C 4816155 HDEGFTGIXYLFDK-FUHWJXTLSA-N 429.590 3.575 0 40 IHAB COc1ccc(NC(=O)c2nc(S(=O)(=O)Cc3ccc(F)cc3)ncc2Cl)cc1 8916991 DSPVIMZAVDGSEW-UHFFFAOYSA-N 435.864 3.504 0 40 IHAB Cc1ccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(Cc3ccccc3Cl)c(=O)n2C)cc1 9209567 YIGMEAHSTIEJRA-MRXNPFEDSA-N 449.942 3.695 0 40 IHAB CCn1c(CC(=O)Nc2ccc(C)c(C)c2)nnc1SCC(=O)N1CCc2ccccc21 9263709 YIWVCPUWVHREJQ-UHFFFAOYSA-N 449.580 3.777 0 40 IHAB COc1ccc(Cl)cc1NC(=O)CSc1ncnc2c1nnn2Cc1ccccc1 9416746 XFOWJPAYSZPGJS-UHFFFAOYSA-N 440.916 3.662 0 40 IHAB CC[C@H](C)N1C(=O)[C@@H]2[C@@H]3C=Cc4ccc5cccnc5c4N3[C@H](C(=O)C(C)(C)C)[C@@H]2C1=O 9423635 AFBKHIUFLLKDFT-RIFRSIMTSA-N 431.536 3.834 0 40 IHAB O=C(COC(=O)c1c2c(nc3ccccc13)CCCC2)Nc1ccccc1C(=O)NC1CC1 9583992 OIKGQVZJBHAXSK-UHFFFAOYSA-N 443.503 3.801 0 40 IHAB COc1ccccc1NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)c2ccccc2O1 9699530 GOTLDTBIGQNZIQ-QFIPXVFZSA-N 438.505 3.599 0 40 IHAB CC(C)c1ccc([C@@H](NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C(C)C)cc1 9703561 JOPYEOVCRZGPID-QHCPKHFHSA-N 444.597 3.958 0 40 IHAB Cc1ccccc1-n1c(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)nnc1N1CCOCC1 9912533 FTAYVKIBGKBDIB-MRXNPFEDSA-N 448.552 3.502 0 40 IHAB CC(=O)N1CCC2(CC1)Oc1ccc(Cl)cc1[C@@H]1CC(c3ccc4c(c3)OCO4)=NN12 10213886 OVZMTMRKPMIASY-IBGZPJMESA-N 439.899 3.951 0 40 IHAB Cc1cc(C(=O)CSc2nnnn2C[C@@H]2CCCO2)c(C)n1Cc1ccccc1Cl 10276216 RPQIMHRPRXWZCK-KRWDZBQOSA-N 445.976 3.947 0 40 IHAB CCOc1ccc(NC(=O)CCCN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)cc1 10329301 ICQCAAMKUFRCRD-UHFFFAOYSA-N 440.949 3.932 0 40 IHAB COc1ccccc1N1CCN(C(=O)CSc2nccn2-c2cccc(C)c2C)CC1 10348173 QKAVVJIBHIWJPC-UHFFFAOYSA-N 436.581 3.939 0 40 IHAB O=C(c1nn(-c2ccccc2)c(=O)c2ccccc12)N1CCCN(Cc2ccccc2)CC1 10707792 BNFWKLMWPVQSKN-UHFFFAOYSA-N 438.531 3.734 0 40 IHAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)O[C@H](C)C(=O)N1CC(=O)Nc2ccccc21 10838307 UZYWNEYTLLHPOS-CYBMUJFWSA-N 443.525 3.572 0 40 IHAB CCc1n[nH]c(C(=O)N2CCC(c3nc(NC(C)C)ncc3-c3cc(C)no3)CC2)c1C 12087422 YYBXWXUZSWOJOW-UHFFFAOYSA-N 437.548 3.874 0 40 IHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cc(-c2ccco2)nc2onc(C)c12 12749811 PDMCSBWKPJAQPF-UHFFFAOYSA-N 437.408 3.847 0 40 IHAB CCOc1ccc2oc(C(=O)N3CCN(CC(=O)Nc4ccc(C)cc4)CC3)c(C)c2c1 12764172 CUBTWAWJSGEUJP-UHFFFAOYSA-N 435.524 3.845 0 40 IHAB CNS(=O)(=O)c1cc(NC(=O)c2cc(-c3cccs3)nc3onc(C)c23)ccc1C 12801185 CAWXAPVJAPLIMC-UHFFFAOYSA-N 442.522 3.729 0 40 IHAB CC(C)(C)NC(=O)[C@H](c1ccc(Cl)cc1)N(Cc1cccnc1)C(=O)c1csnn1 12874690 MEGSFWJPCYLAND-SFHVURJKSA-N 443.960 3.885 0 40 IHAB O=C(Nc1cc(Cl)ccc1F)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 12997689 QNUCACSVHCKYEP-UHFFFAOYSA-N 442.804 3.791 0 40 IHAB Cc1cc(C(=O)N(C)C[C@@H]2COc3ccccc3O2)c2cnn(Cc3cccs3)c2n1 13007596 ICGCXPLDJXEAOG-MRXNPFEDSA-N 434.521 3.762 0 40 IHAB C[C@@H]1CCC[C@H](NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2N)[C@@H]1C 13096978 DRZAZUIDDDGNPV-HFAKWTLXSA-N 428.389 3.999 0 40 IHAB COc1ccc([C@H](c2nnnn2C2CCCC2)N2CCN(c3ccccc3)CC2)cc1OC 13503926 RAGRJIKFXUYWOD-XMMPIXPASA-N 448.571 3.717 0 40 IHAB CCC(C)(C)n1nnnc1[C@@H](c1ccccc1OC)N1CCN(c2ccc(F)cc2)CC1 13504156 HEDRQBUTSNRQQL-JOCHJYFZSA-N 438.551 3.878 0 40 IHAB CC[C@H](NC(=O)c1cc2cc(OC)ccc2n1C)C(=O)NCCc1c[nH]c2ccccc12 13683453 UMPVEOOKOJMKPZ-FQEVSTJZSA-N 432.524 3.536 0 40 IHAB COc1ccc(OCc2nnc(SCC(=O)Nc3cc(Cl)ccc3OC)n2C)cc1 13845085 YEGDGSKMEVGZBD-UHFFFAOYSA-N 448.932 3.796 0 40 IHAB COC(=O)c1c(Cn2cnc3ccc(Br)cc3c2=O)nc2ccccc2c1C 14180448 LOOUGUSIKDZSQS-UHFFFAOYSA-N 438.281 3.851 0 40 IHAB COc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1OC 14906519 GPXUBRUSVWZMDP-UHFFFAOYSA-N 447.538 3.532 0 40 IHAB COc1cc(/C=C2\NC(=O)NC2=O)cc(Cl)c1OCc1ccc(Br)cc1 15012937 JMSNQKGRGDPITO-AUWJEWJLSA-N 437.677 3.870 0 40 IHAB CCC(=O)Nc1ccccc1C(=O)OCc1cc(=O)n2nc(C3CCCCC3)sc2n1 15772122 KAGMCIINJRBYKU-UHFFFAOYSA-N 440.525 3.904 0 40 IHAB Cc1cccc(-c2nn(CN3CCC(C(=O)N4CCCCCC4)CC3)c(=S)n2C)c1 16877014 JUDKBXUCQPPWHS-UHFFFAOYSA-N 427.618 3.999 0 40 IHAB O=C(c1cc(-c2ccc(Cl)c(Cl)c2)[nH]n1)N1N=C(C(F)F)C[C@]1(O)C(F)F 17094261 IFPKECRNDGDKQB-HNNXBMFYSA-N 425.169 3.804 0 40 IHAB CCCCn1c(SCC(=O)NC[C@H]2CCCO2)nc2c(-c3ccccc3)c[nH]c2c1=O 17271524 CDEPMMLGJKMIPU-QGZVFWFLSA-N 440.569 3.579 0 40 IHAB Cc1cccc(N2C[C@@H](C(=O)Oc3cccc(N4C(=O)[C@H]5CCCC[C@@H]5C4=O)c3)CC2=O)c1 19644581 XXXPCPUOTCUUOK-HSQYWUDLSA-N 446.503 3.633 0 40 IHAB CN(C)c1ncc(-c2ccc(F)cc2)c([C@@H]2CCCN(C(=O)c3n[nH]c4c3CCC4)C2)n1 19693934 MVHOHMRFDJQBPT-MRXNPFEDSA-N 434.519 3.580 0 40 IHAB Cc1ccc(S(=O)(=O)N2CC[C@H](c3c(C(=O)N(C)C)sc4ncccc34)C2)cc1C 19702551 LNCGVRBTMRQJRN-INIZCTEOSA-N 443.594 3.793 0 40 IHAB CNc1nc(C)c(C(=O)N2CCC[C@H]2c2nc(C)ncc2C(=O)NC2CCCCC2)s1 19766843 IGZYTWIRTWCETG-KRWDZBQOSA-N 442.589 3.631 0 40 IHAB CCOc1ccc([C@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1OCC 20049978 MYESYCNAPSOTHH-ZDUSSCGKSA-N 440.949 4.000 0 40 IHAB COc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(O)c(OC)c2)N(c2cccnc2)C3=O)cc1 20733414 ZAUYYLKSQBAHGV-HSZRJFAPSA-N 428.448 3.944 0 40 IHAB CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N(CC)CC)c2)cc1 21248441 OWZCPCUTDUEKNM-UHFFFAOYSA-N 449.548 3.591 0 40 IHAB CCCn1c(SCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)n[nH]c1=O 21686175 YXCNYRROGMSVPW-UHFFFAOYSA-N 430.917 3.597 0 40 IHAB Cc1cccc(-c2nnc([C@@H](C)OC(=O)CCNC(=O)CCC(=O)c3cccs3)o2)c1 21732062 VCGWPVUJSIQFFF-OAHLLOKOSA-N 441.509 3.880 0 40 IHAB Cc1cccc(OCCNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)c1 21785255 USEXIPBJUHOSRZ-UHFFFAOYSA-N 436.961 3.632 0 40 IHAB O=C1c2cccc3cccc(c23)C(=O)N1CCN1CCN(C/C=C/c2ccccc2)CC1 22860162 SJFQBDFFFYSSPN-RMKNXTFCSA-N 425.532 3.767 0 40 IHAB Cc1nc(CN2CCN(CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)cs1 22928585 DNYSNQDRZMRUIQ-UHFFFAOYSA-N 432.899 3.880 0 40 IHAB COc1ccccc1-n1ncc2c(C)nnc(SCC(=O)Nc3ccc4c(c3)OCO4)c21 23137848 SEXKDZQIQUMDHH-UHFFFAOYSA-N 449.492 3.592 0 40 IHAB CCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2Cl)cc1OCC 24836385 HIONBIXBZFGOCP-UHFFFAOYSA-N 444.912 3.536 0 40 IHAB COc1ccc(Cn2nnnc2SCCC(=O)Nc2cc(Cl)ccc2OC)cc1 24901019 OOEGGQFQPKJNFV-UHFFFAOYSA-N 433.921 3.513 0 40 IHAB Cc1nonc1COc1ccc(C(=O)Nc2nc(C)c(C(=O)OCC(C)C)s2)cc1 27913373 OGINJFSYLXDFPI-UHFFFAOYSA-N 430.486 3.787 0 40 IHAB COc1cccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2ccc3c(c2)OCO3)c1 28528001 VCEQHZKJDWUQBK-UHFFFAOYSA-N 435.484 3.981 0 40 IHAB CCCS(=O)(=O)Nc1cccc(C(=O)NC[C@H](c2cccc(OC)c2)N(CC)CC)c1 32314469 CRSWTQFIFYLLLH-JOCHJYFZSA-N 447.601 3.660 0 40 IHAB Cc1noc(C)c1COc1ccc(CC(=O)NC[C@@H](C)N2CCc3ccccc3C2)cc1 32800714 YDLSGYBOCICRAU-GOSISDBHSA-N 433.552 3.976 0 40 IHAB CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)C[C@@H]2OC(=O)c3ccccc32)cc1 32972150 QQSFNXROMSSKQR-NRFANRHFSA-N 442.537 3.880 0 40 IHAB COc1ccccc1NC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1C 34864207 WSYWYRCTTGYERE-UHFFFAOYSA-N 432.542 3.632 0 40 IHAB Cc1cccc(-n2c(=S)[nH]c(=O)c3c(C(=O)O)cc(-c4ccc5c(c4)OCO5)nc32)c1 36617279 FXXNDRNORGSAGU-UHFFFAOYSA-N 433.445 3.846 0 40 IHAB CC(=O)Nc1c(C)cccc1-c1nnc(S[C@H](C)C(=O)Nc2ccc(F)cc2)nc1O 44803211 XOAOOJNSQHSVMC-GFCCVEGCSA-N 441.488 3.769 0 40 IHAB COc1ccc(C(=O)N2CCC(C(=O)NCCCn3nc(C)cc3C)CC2)c2ccccc12 49634686 AEEXERCJYDIZKV-UHFFFAOYSA-N 448.567 3.720 0 40 IHAB COc1ccc(NC(=O)Cn2c(=O)n(-c3ccc(Cl)cc3)c(=O)c3sccc32)cc1 57491807 SIQSJNQPIUIPMT-UHFFFAOYSA-N 441.896 3.515 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)C2(C(=O)N[C@H](C)c3ccc4c(c3)CC(=O)N4)CCCC2)c1 65521977 PGMVRMBGQWGFNO-QGZVFWFLSA-N 440.565 3.762 0 40 IHAB O=C(Cn1ncn2nc(-c3cccc4ccccc34)cc2c1=O)Nc1cc(F)ccc1F 67208532 QYWIFIGTINYGHY-UHFFFAOYSA-N 431.402 3.628 0 40 IHAB Cc1cc2nc(SCC(=O)NCCCc3ccccc3)n(-c3ccccc3)c(=O)c2[nH]1 67236816 WCBYIWDFGPESJC-UHFFFAOYSA-N 432.549 3.863 0 40 IHAB COc1ccc(Cl)cc1C(=O)N1CCN(C)C(=O)[C@@H]1Cc1ccc(-c2ccncc2)cc1 72351830 VELDDZUULBGFSC-QFIPXVFZSA-N 449.938 3.936 0 40 IHAB O=C(COc1ccc(F)cc1)N1CC[C@H](c2cc(CCOc3cccc(F)c3)[nH]n2)C1 72371696 OTYDDRHBIXPYJG-INIZCTEOSA-N 427.451 3.704 0 40 IHAB C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[S@@](=O)Cc1csc(Br)c1 83967131 BVNLKEHEZQEKCT-NPNATVITSA-N 428.373 3.788 0 40 IHAB Cc1oc(CN(C)C(=O)C2(c3ccc(Br)cc3)CCOCC2)cc1C(=O)O 95970412 MTFNESSSTYYXGZ-UHFFFAOYSA-N 436.302 3.756 0 40 IHAB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)c2C(N)=O)C1 102174466 OWBPKVGELVDMPW-HLNSEHPISA-N 430.570 3.850 0 40 IHAB CC1(C)C[C@H](NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c2ccccc2O1 219258249 JRDIJOFPCJNHKM-WBVHZDCISA-N 434.583 3.567 0 40 IHAB Cc1cccc(CNC(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2C)c1 222766018 TZSBJECZFLFGBF-UHFFFAOYSA-N 430.570 3.610 0 40 IHAB CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccc(F)cc1 223031027 ZLAOEJLCGVMKEX-AWEZNQCLSA-N 437.309 3.520 0 40 IHAB Cc1ccc(C(=O)NCCOc2ccc(F)cc2)cc1NS(=O)(=O)c1ccccc1 224084190 IODLVVYOPPBKMB-UHFFFAOYSA-N 428.485 3.744 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)Oc3cc(C)ccc3C(C)C)CC2)cc1 224542299 GDLGWDMJAWSZDJ-HXUWFJFHSA-N 444.597 3.727 0 40 IHAB CCCCc1ccc(N(CCCC(=O)NCCOc2ccccc2)S(C)(=O)=O)cc1 224882546 RWMFADWMBWIDMF-UHFFFAOYSA-N 432.586 3.771 0 40 IHAB C[C@H](NC(=O)[C@H]1C[C@H]2CC[C@H]1C[C@]21NC(=O)c2ccccc2O1)c1ccc2c(c1)OCCO2 248278012 ZMVIGPBFQIFGMS-QKPBXLBMSA-N 448.519 3.590 0 40 IHAB CNC(=O)c1cc(C)nc(C2(C)CCN(C(=O)[C@H](c3ccccc3)C3CCCC3)CC2)n1 257207265 BHATUDKXXKDGEX-JOCHJYFZSA-N 434.584 3.999 0 40 IHAB CC(=O)N1CCC(Cc2cccc(F)c2)(C(=O)N2CCC[C@@H](c3cncc(C)n3)C2)CC1 257232268 GKBSHBIVZUGUIS-OAQYLSRUSA-N 438.547 3.502 0 40 IHAB O=C1CCCN1CCOc1cccc(C(=O)N2CC[C@@H](Cc3ccc4ncccc4c3)C2)c1 257270502 MUMPKZZYXDXGRL-NRFANRHFSA-N 443.547 3.941 0 40 IHAB CC[C@H](C(=O)N[C@H](C)c1cc(OC)ccc1OC)N(c1ccc(C)c(C)c1)S(C)(=O)=O 260769757 QZSAKLMGKSVLCN-DYESRHJHSA-N 448.585 3.743 0 40 IHAB Cc1ccc(CN2C[C@@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccsc2)C3=O)s1 306127616 GDOQMCWZXNDYTF-GMAHTHKFSA-N 439.606 3.910 0 40 IHAB C[C@H](Oc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1)C(=O)NC1CCCCC1 408596631 XFYUERFKEQHMQI-ROUUACIJSA-N 430.570 3.942 0 40 IHAB COc1cc(C(=O)N2CCC(C(=O)Nc3c(C)cccc3C)CC2)cc(OC)c1OC 409023176 XGSTZRWNQBEXMV-UHFFFAOYSA-N 426.513 3.820 0 40 IHAB CCn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1ccc(C)c(C)c1 409329105 CTBZEXZGDHSAKA-UHFFFAOYSA-N 441.532 3.715 0 40 IHAB O=C(c1ccnc(C(F)(F)F)c1)N1CCC[C@]2(CCN2c2ccc3nccnc3c2)C1 585101806 HLVODKIVABVYML-NRFANRHFSA-N 427.430 3.929 0 40 IHAB Cc1ccc(Cl)c(OC[C@@]2(O)CN(C[C@]3(O)CC[C@@H](C(C)(C)C)CC3)CC[C@@H]2O)c1 585287599 PKOGPAZMODUKHH-CJOZULMCSA-N 440.024 3.792 0 40 IHAB Cc1cc(C)c(-c2cc(NC(=O)Cc3csc(S[C@@H](C)C(N)=O)n3)n[nH]2)cc1C 1558154739 GVHORGBDMPZLCI-ZDUSSCGKSA-N 429.571 3.606 0 40 IHAB Cn1ccnc1CN1CCC(N2C(=O)NCCc3ccccc3[C@@H]2c2ccccc2)CC1 1615529657 LFLAXBUUMGYDRD-VWLOTQADSA-N 429.568 3.742 0 40 IHAB CC(C)Oc1ccc(CN2CCCCOCCNC(=O)c3ccccc3OCC2)cc1 2037989143 XBIIFLQETRDXGJ-UHFFFAOYSA-N 426.557 3.895 0 40 IHAB Cc1ccc(OCC(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)cc2)cc1 1256119 XWKKFYVMELFNLU-UHFFFAOYSA-N 429.520 3.975 0 40 IHAB COc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 1289817 SBCDUCGKMGPALD-LBPRGKRZSA-N 437.279 3.537 0 40 IHAB Cc1cc(C)c2cc(CN(CCO)S(=O)(=O)c3ccc(C(C)(C)C)cc3)c(=O)[nH]c2c1 1329174 XDNYJKRPGLTTDB-UHFFFAOYSA-N 442.581 3.626 0 40 IHAB Brc1nc(-c2nc(Br)c(Br)[nH]2)[nH]c1Br 1510134 ZPPZZFKNGUKQSW-UHFFFAOYSA-N 449.726 3.850 0 40 IHAB Cc1cc(=O)oc2cc(OCC(=O)N3c4ccccc4NC(=O)C3(C)C)c(Cl)cc12 3408397 QKPNTIGNQADLIO-UHFFFAOYSA-N 426.856 3.898 0 40 IHAB O=C(O)CCCC(=O)N1C[C@@H]2C[C@H](C1)c1c(-c3cc4ccccc4s3)ccc(=O)n1C2 4237415 UUSHCPSXCPAGQD-DOTOQJQBSA-N 436.533 3.931 0 40 IHAB biogenic,in-vitro COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CCC(C)CC3)cc2c1 6148966 FDNNBOIJYNZQKB-JOCHJYFZSA-N 436.560 3.850 0 40 IHAB COc1ccc(CN(C(=O)c2ccc(OCC(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 8606306 SCECBGZUNUEOGI-FQEVSTJZSA-N 431.554 3.560 0 40 IHAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 8855985 SSZDZISJNQCJMK-LLVKDONJSA-N 447.340 3.658 0 40 IHAB COc1ccc(CNc2nc(-c3cccnc3)nn2C(=O)c2ccccc2OC)cc1OC 9289273 PUDQNAYSIPJTMU-UHFFFAOYSA-N 445.479 3.667 0 40 IHAB CCn1c(COc2cc(C)ccc2C)nnc1S[C@H](C)C(=O)Nc1nnc(C)s1 9290093 FGLPERILILKOPG-CYBMUJFWSA-N 432.575 3.773 0 40 IHAB COc1ccc(C2=NO[C@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)c2ccccc2)c(OC)c1 9453225 NNVCKKWETVELFA-BWKNWUBXSA-N 428.444 3.785 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(OC[C@H]2CCCO2)cc1 9716307 FJPKSJUXXSGEEA-OAQYLSRUSA-N 444.553 3.671 0 40 IHAB Cc1cc(C)n(-c2ccc(C(=O)N3CCC(C(=O)c4ccc5c(c4)OCCO5)CC3)cc2)n1 9990382 UBSNPJJZWZYRFX-UHFFFAOYSA-N 445.519 3.995 0 40 IHAB Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc3c(c2)OCO3)cc1 10077902 SGJLPFVJXGGYMI-UHFFFAOYSA-N 440.477 3.542 0 40 IHAB COc1ccccc1NC(=O)c1ccc(NC(=O)COC(=O)c2sc(C)nc2C)cc1 10142424 XBDLZVYASZQZMV-UHFFFAOYSA-N 439.493 3.816 0 40 IHAB CN(CCCNC(=O)CSc1nnc(NCCc2ccccc2)s1)c1ccccc1 12538371 MWQUFQYGPMLVBQ-UHFFFAOYSA-N 441.626 3.928 0 40 IHAB CCc1ccc2[nH]c(=O)c(CN(CCN3CCCC3)C(=O)NCc3ccccc3)cc2c1 12707194 MKSPGFKDPYIERV-UHFFFAOYSA-N 432.568 3.898 0 40 IHAB CNC(=O)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 12760524 KSYSWODTZVOVFU-UHFFFAOYSA-N 426.538 3.956 0 40 IHAB CCNC(=O)COc1ccc(C(=O)Nc2nnc(SCc3ccc(C)cc3)s2)cc1 12931139 BJFRNZDCMWEQBX-UHFFFAOYSA-N 442.566 3.906 0 40 IHAB C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(Cl)cc1 12935158 QZLRHCBWXFMNOZ-CYBMUJFWSA-N 443.352 3.505 0 40 IHAB Cc1ccc(NC(=O)Cc2ccc(N3CCCC3=O)cc2)cc1I 12944759 SAVWZEQQEXHNRK-UHFFFAOYSA-N 434.277 3.908 0 40 IHAB O=S(=O)(NNc1nc2ccccc2nc1C(F)(F)F)c1ccc(Br)cc1 12961415 CNVWLEXTKKFHGL-UHFFFAOYSA-N 447.236 3.717 0 40 IHAB Cc1nc2sc3c(c2c2nnc(SCC(=O)NCc4cccs4)n12)CCCC3 13028100 WXEHKYBYRYDXDB-UHFFFAOYSA-N 429.596 3.996 0 40 IHAB CC(C)NS(=O)(=O)c1ccc(Br)c(C(=O)Nc2ccc3c(c2)CCC3)c1 13072077 AVUFYSWQNVZEJA-UHFFFAOYSA-N 437.359 3.877 0 40 IHAB Cc1c(OCC(=O)NC2CCN(Cc3ccccc3)CC2)ccc2c3c(c(=O)oc12)CCC3 13571646 BHGCXJCCRAGOBS-UHFFFAOYSA-N 446.547 3.750 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cccc(C(F)(F)F)c2)c1 16044809 QJBWDNOMBIQKCB-UHFFFAOYSA-N 430.448 3.997 0 40 IHAB O=C(CCC(=O)c1ccccc1)NCCC(=O)OCc1nc(-c2cccc(Cl)c2)no1 16695604 HTCDGUUACSKCOV-UHFFFAOYSA-N 441.871 3.603 0 40 IHAB COC(=O)c1cc(-c2ccco2)nc2c1c(-c1ccccc1)nn2[C@@H]1CCS(=O)(=O)C1 16850645 KCIYITSTLNEZBG-OAHLLOKOSA-N 437.477 3.505 0 40 IHAB COc1cn(CC(=O)Nc2cccc(Cl)c2)c(CSc2nc(C)cc(C)n2)cc1=O 17014049 WDISUXHZJNBWRE-UHFFFAOYSA-N 444.944 3.848 0 40 IHAB COc1ccc(F)cc1-c1ccccc1CC1(C(=O)N2CCC(O)CC2)CCOCC1 19561779 DMNSHEYUBYYFEE-UHFFFAOYSA-N 427.516 3.824 0 40 IHAB COc1cccc(C(=O)N2CCC[C@](Cc3ccccc3-c3ccncc3)(C(N)=O)C2)c1 19564384 DWPUTKLOQYARFS-AREMUKBSSA-N 429.520 3.708 0 40 IHAB COc1cc(OC)c(S(=O)(=O)N2CCO[C@H](c3cc4ccccc4cn3)C2)cc1Cl 19595025 GHTSDAWLVCBVEO-FQEVSTJZSA-N 448.928 3.668 0 40 IHAB Cc1ncc(C(=O)NC2CCCCC2)c([C@@H]2CCCN2C(=O)CC2(O)CCCCC2)n1 19766703 LFVDTZYJAASMMP-FQEVSTJZSA-N 428.577 3.596 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)N[C@@H](C)c1ccc(C)cc1 20111894 PYBONDVKYULXSK-SFHVURJKSA-N 430.570 3.915 0 40 IHAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 20492578 DYQBRZDJWIHUSM-FQEVSTJZSA-N 425.510 3.987 0 40 IHAB CCCC(=O)Nc1cccc(C(=O)OCc2cc(=O)n3c4c(sc3n2)CCCC4)c1 21633556 BGOSCCBRTHDHDH-UHFFFAOYSA-N 425.510 3.730 0 40 IHAB CN(c1ccc(OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1)S(C)(=O)=O 22230784 VDNRJPJDYKNOPD-UHFFFAOYSA-N 436.839 3.772 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)N[C@H](C)c1cc(C)c(C)cc1C 22539221 ZPFCZFGAXLSZNM-MRXNPFEDSA-N 438.977 3.772 0 40 IHAB O=C(NC1CCN(C(=O)c2ccoc2)CC1)c1cc2ccccc2cc1NC(=O)C1CC1 22900828 YKBXIQCWEAPZMC-UHFFFAOYSA-N 431.492 3.816 0 40 IHAB CCN(Cc1coc(-c2ccc(F)cc2)n1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 24362295 GQJSGAJGRQQBNX-UHFFFAOYSA-N 438.459 3.757 0 40 IHAB Cc1noc(C)c1COc1ccccc1C(=O)N(C)CC(=O)Nc1ccc(F)c(F)c1F 24587313 FUXGYAJBBGXFPV-UHFFFAOYSA-N 447.413 3.998 0 40 IHAB COc1ccc(NC(=O)[C@H](c2ccccc2)N2CCN(C(=O)c3cccs3)CC2)cc1 24672538 KGRCJBMOXZHYLE-QFIPXVFZSA-N 435.549 3.895 0 40 IHAB COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cc(Br)ccc1OC(F)F 25328887 BFYWLJZEZHPASI-UHFFFAOYSA-N 446.244 3.631 0 40 IHAB O=C(CCc1ncc(-c2ccccc2F)o1)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 25639545 YAGMMFZOYSIOCM-NRFANRHFSA-N 441.478 3.742 0 40 IHAB CN(C)C(=O)[C@H](Sc1nnc(CN2CCCC2)n1Cc1ccccc1)c1ccccc1 25746921 MVEIMRRAHKPKLO-JOCHJYFZSA-N 435.597 3.844 0 40 IHAB COc1ccc2cc(CNC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(C)s3)ccc2c1 26675312 AZSYJTHYAUONRZ-FQEVSTJZSA-N 444.578 3.688 0 40 IHAB O=C1C(=O)N(CN2CCc3sccc3[C@H]2c2ccccc2)C(=O)N1Cc1cccs1 27531820 HLJGSBDKBIOZQM-LJQANCHMSA-N 437.546 3.706 0 40 IHAB Cn1ccnc1[C@@H](NC(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1)c1ccccc1 28943293 CBAWBSOAFGSWEW-NRFANRHFSA-N 444.564 3.876 0 40 IHAB O=C(c1sc2ccccc2c1Cl)N1CCN(Cc2cc(=O)n3ccccc3n2)CC1 29302766 TUBUHLBRTWSXAQ-UHFFFAOYSA-N 438.940 3.521 0 40 IHAB O=C(CCc1ncc(-c2c(F)cccc2F)o1)NC[C@@H](c1ccccc1)N1CCOCC1 30704731 GZBZVQFGZGWRTM-FQEVSTJZSA-N 441.478 3.742 0 40 IHAB O=C1N[C@H](C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)CS[C@H]1Cc1ccccc1F 32753083 UVHWQBMOWTUTJG-PXNSSMCTSA-N 442.512 3.649 0 40 IHAB NC(=O)Cn1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)c2ccccc21 33729958 TUZCDLAMYJJQCT-IUXPMGMMSA-N 443.290 3.526 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](C)c3cc(C)c(C)cc3C)C2)cc1 36128049 JEIXBKDWNWIUEG-UXHICEINSA-N 444.597 3.899 0 40 IHAB CN1CCN(c2ccccc2NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 39996790 ZUIFIPPGXBKNSW-UHFFFAOYSA-N 433.883 3.911 0 40 IHAB CC[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2C)CC1)c1ccc(OC)cc1 44841311 MYHMYPSLWQHDOH-QHCPKHFHSA-N 444.597 3.813 0 40 IHAB COc1ccc([C@@H](C)NC(=O)CN2c3ccc(F)cc3-c3ccccc3S2(=O)=O)cc1 44841394 YBFDYICJBFOQMV-OAHLLOKOSA-N 440.496 3.887 0 40 IHAB COc1cc(CNC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)cc(OC)c1OC 44917573 WHFHJDAZMROTBH-UHFFFAOYSA-N 432.948 3.894 0 40 IHAB CCN(CC)[C@@H](CNC(=O)Nc1cc2c(cc1Cl)NC(=O)CO2)Cc1ccccc1 48366859 QRPQBWBZNWCKPW-MRXNPFEDSA-N 430.936 3.746 0 40 IHAB CCc1nnc2sc(-c3cccc(NC(=S)NC(=O)c4ccc(OC)cc4)c3)nn12 57316309 OZGOWEWMDCILQN-UHFFFAOYSA-N 438.538 3.551 0 40 IHAB O=C(NC1CCN(c2ncc(-c3cnccn3)c(-c3cccs3)n2)CC1)C1CCCC1 72338728 BGIWWWRARSUWQN-UHFFFAOYSA-N 434.569 3.937 0 40 IHAB Cc1[nH]c(C(=O)N[C@H]2CCCN(c3ccccc3Cl)C2=O)c(C)c1C(=O)OC(C)C 78875144 CAVDHDPCRNXQOA-INIZCTEOSA-N 431.920 3.776 0 40 IHAB Cc1nc2sc(C(=O)NCCn3ccc4ccc(Br)cc43)c(C)c2c(=O)[nH]1 79474829 UXJDGUBPHQNGSK-UHFFFAOYSA-N 445.342 3.749 0 40 IHAB CC(=O)c1ccc(CNC(=O)[C@@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)nc1C 89536875 PKKFGVCUCBOADS-KIZRYQFWSA-N 425.573 3.566 0 40 IHAB CCOc1c(Cl)cc(C(=O)Nc2cccc(C(=O)N3CCC[C@@H](CO)C3)c2)cc1OC 95465523 LRPYGPUXBLVRIR-OAHLLOKOSA-N 446.931 3.844 0 40 IHAB COc1ccc(CN(C(=O)c2sc(-c3cnn(C)c3)nc2C)[C@H](CO)C(C)C)cc1 95997303 OSYHLXOTAOUHIN-LJQANCHMSA-N 428.558 3.520 0 40 IHAB CCc1ccc(NC(=O)c2ccc3ccc(N4CCN(c5ncccn5)CC4)n3c2)cc1 96038417 AYSMMKPHBFXCCS-UHFFFAOYSA-N 426.524 3.871 0 40 IHAB CCCCCOc1ccccc1NC(=O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]21 104793839 HLGFEKDHPNYQTH-WXRGLTTHSA-N 435.517 3.591 0 40 IHAB Cc1cccc(N(CCCC(=O)NCc2cccc(OC(C)C)c2)S(C)(=O)=O)c1C 113962210 OHGNAAXORCQFON-UHFFFAOYSA-N 432.586 3.953 0 40 IHAB CC[C@H](NC(=O)[C@H](C)N(c1cc(OC)ccc1OC)S(C)(=O)=O)c1ccc(C)cc1C 220223815 OSGYPHKMBWTTNP-PXNSSMCTSA-N 448.585 3.743 0 40 IHAB O=C(NCCSC1CCCC1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 222998177 DUPZJNMPLDSJSP-UHFFFAOYSA-N 431.023 3.533 0 40 IHAB COc1cc(OC)c(NC(=O)Nc2cnc(N3CCCCC3)nc2N(C)C)cc1Cl 224144454 ZVXKUUYDZHRDPR-UHFFFAOYSA-N 434.928 3.848 0 40 IHAB CCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CCCOc1ccc(OC)cc1 224542296 OEXYYGGGVCZQOT-HSZRJFAPSA-N 442.556 3.806 0 40 IHAB CS(=O)(=O)N(CC(=O)Nc1ccc(N2CCCC2)cc1)c1cc(Cl)cc(Cl)c1 224904913 JJBQNHVILJLYIV-UHFFFAOYSA-N 442.368 3.998 0 40 IHAB CS(=O)(=O)N(CC(=O)NCCSC1CCCC1)c1ccc(Cl)c(Cl)c1 225759952 LRIROWADCSGBCF-UHFFFAOYSA-N 425.403 3.551 0 40 IHAB Cc1nc(CN2CCC(N3CCN(c4cccc(C(F)(F)F)n4)CC3)CC2)cs1 252500781 TVHLBNUJAKWLHS-UHFFFAOYSA-N 425.524 3.652 0 40 IHAB CC(C)(C)OC(=O)N1[C@@H](CNC(=O)Cc2ccccc2F)C[C@@]2(C)[C@@H](O)CCCC[C@@H]12 257265031 LWZFIISRPYDUBB-ZHNFZGJGSA-N 434.552 3.804 0 40 IHAB CC(C)(NC(=O)Cc1ccccc1)C(=O)N1CCC[C@@H](Cc2cccn3ccnc23)CC1 257276847 NVJILVNFRKPMID-OAQYLSRUSA-N 432.568 3.643 0 40 IHAB COc1cccc([C@@H]2CN(C(=O)CN3CCC[C@H]4CCCC[C@H]43)C[C@H]2c2csnn2)c1 257292636 QMJIMUCGQNPFAB-WJBHACNQSA-N 440.613 3.911 0 40 IHAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 260845611 VBELRUKPWBDNHZ-JXFKEZNVSA-N 446.569 3.577 0 40 IHAB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 408598346 ZFVIZMIPYQMLGR-SECBINFHSA-N 437.732 3.961 0 40 IHAB COc1ccc(C(=O)Nc2ccc3sc(C(=O)N4CCOCC4)cc3c2)cc1OC 408713121 KYCFRJVYSHWVPF-UHFFFAOYSA-N 426.494 3.643 0 40 IHAB CCc1ccccc1NC(=O)CSc1nnc(CNC(=O)c2ccccc2F)n1CC 409329692 HNRIYHWOFJQTCQ-UHFFFAOYSA-N 441.532 3.660 0 40 IHAB Cc1nccn1CCCN(C)CC(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 503071162 FUXCKFGREGCTMN-HSZRJFAPSA-N 429.568 3.943 0 40 IHAB Cc1ccc2nc([C@@H]3CCCN3C(=O)c3cn(-c4ccc(C(F)(F)F)cn4)nn3)[nH]c2c1 512092886 SQEOMGOYJYJCKN-KRWDZBQOSA-N 441.417 3.843 0 40 IHAB O=S(=O)(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccccc1-c1ccccc1 515001963 AHAYOWQUDWEAQO-UHFFFAOYSA-N 442.562 3.939 0 40 IHAB O=C(c1c[nH]c2c(F)cc(F)cc2c1=O)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@H]34)[C@H]21 604404608 FQYMRQHBDQFETD-QQGMGGKWSA-N 439.506 3.842 0 40 IHAB biogenic CC(C)C[C@@H]1NC(=O)C2(CCCCCOC[C@@H](C)NC1=O)CCN(C1CCCC1)CC2 643581513 JNXBPXSUEDPITA-IRLDBZIGSA-N 435.653 3.637 0 40 IHAB COc1c(Br)cc(Cl)cc1NC(=O)NCCc1nnc(S)n1C(C)C 1668252515 PMZAUTBSFCKALB-UHFFFAOYSA-N 448.774 3.936 0 40 IHAB CC(C)(NC(=O)c1ccc(F)cc1)C(=O)N1CCOC[C@H](Cc2cccc3ccncc23)C1 1848352778 ASJCWDGKAKXPEM-GOSISDBHSA-N 449.526 3.600 0 40 IHAB O=C(Nc1ccccc1)c1cnn2c([C@@H]3CCCN(C(=O)CCc4ccc[nH]4)C3)ccnc12 2055708117 LALFSEDQGUZTTO-GOSISDBHSA-N 442.523 3.649 0 40 IHAB CCc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)c(Cl)c3)C2)cc1 1364022 WDHGICJBSKQRJV-MRXNPFEDSA-N 436.961 3.950 0 40 IHAB COc1ccccc1Cn1c(N)c(C(=O)OC[C@@H]2CCCO2)c2nc3ccccc3nc21 2436259 GZCUWYRSQYHOPO-INIZCTEOSA-N 432.480 3.559 0 40 IHAB CC(=O)c1ccc(S(=O)(=O)N2CCN(c3ccnc4cc(Cl)ccc34)CC2)cc1 3448782 YNOJGWTZEVXGRW-UHFFFAOYSA-N 429.929 3.602 0 40 IHAB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 3567757 JWHOHGHHFQRAGW-HOTGVXAUSA-N 426.513 3.562 0 40 IHAB CCc1ccccc1NC(=O)CSc1nc2sc3c(c2c(=O)n1CCOC)CCC3 6860751 HSJCQOHICBYLDK-UHFFFAOYSA-N 443.594 3.886 0 40 IHAB CCCCN(CCCC)C(=O)C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 8595383 FQWRQDIUWXRJJC-UHFFFAOYSA-N 438.619 3.521 0 40 IHAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2nc(O)c3cnn(-c4ccccc4)c3n2)cc1 8735910 VQPHSTBFMXPPJU-CYBMUJFWSA-N 448.508 3.599 0 40 IHAB CCn1nc(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)c2ccccc2c1=O 8862203 UNGHOEVMKXXJRS-UHFFFAOYSA-N 428.496 3.654 0 40 IHAB C[C@@H](c1ccccc1)N1C[C@H](C(=O)Nc2cc(Cl)ccc2N2CCOCC2)CC1=O 9224258 AWKDUWUNKRYTMR-FUHWJXTLSA-N 427.932 3.725 0 40 IHAB COc1cccc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)C[S@](=O)C3)c1OC 9413800 ULZYDYBFGBHKJU-LJAQVGFWSA-N 431.901 3.558 0 40 IHAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)CSc2nnc(C3CC3)n2C2CC2)c1 9596027 DEYJCQYSBUFETN-SFHVURJKSA-N 428.558 3.963 0 40 IHAB Cc1cccc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)c1C 9665386 DTJPMKXRTCUFPS-UHFFFAOYSA-N 444.553 3.664 0 40 IHAB Cc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccc(Cl)c(Cl)c4)nc32)cc1C 9739145 CFVKGZJPOPLIDJ-UHFFFAOYSA-N 428.279 3.798 0 40 IHAB O=C(CSc1nnc(NCc2ccco2)s1)N1CCN(c2cccc(Cl)c2)CC1 9789272 ZIMJZICUBFGWOQ-UHFFFAOYSA-N 449.989 3.838 0 40 IHAB CCOC(=O)Nc1ccc2c(Cn3cnc4sc5c(c4c3=O)CCC5)cc(=O)oc2c1 9958470 XHZBQWRVJMHFLX-UHFFFAOYSA-N 437.477 3.670 0 40 IHAB Cc1ccc(-n2nc3c(c2NC(=O)C(=O)NCc2ccc(Cl)cc2)CSC3)cc1 10220913 HNEUTMZJDMEOSG-UHFFFAOYSA-N 426.929 3.836 0 40 IHAB COc1cccc(N(CC(=O)NCc2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)c1 10447700 BLZIKIKGEJXNPK-UHFFFAOYSA-N 438.549 3.824 0 40 IHAB CCCc1ccc(NC(=O)Cn2nc(C)c(S(=O)(=O)N3CCC(C)CC3)c2C)cc1 10926224 VJUDFKSABJRQJP-UHFFFAOYSA-N 432.590 3.512 0 40 IHAB COc1ccc(-c2cc3nc([C@H](C)NC(=O)CCc4ccccc4OC)nn3cn2)cc1 12085159 YYZYNIVUKQNCGC-INIZCTEOSA-N 431.496 3.619 0 40 IHAB Cc1cccnc1[C@@H](Cc1ccsc1)NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 12229650 QAYDTTLSLXQVSL-HXUWFJFHSA-N 441.578 3.841 0 40 IHAB CC1(C)C[C@@H]([C@H](CCNC(=O)CN2C(=O)c3ccccc3C2=O)Cc2ccccc2)CCO1 12662042 FFFLGCIQNOKFSM-RTWAWAEBSA-N 448.563 3.853 0 40 IHAB biogenic O=C(CN1CCC(NC(=O)CCC(=O)c2ccc(Cl)s2)CC1)Nc1ccccc1 12777116 GKQJQQZXKJEMOQ-UHFFFAOYSA-N 433.961 3.584 0 40 IHAB O=C(NC1CCCC1)[C@H](c1ccccn1)N(Cc1ccccc1F)C(=O)c1csnn1 12871876 DMPQNZNLIIXFOG-FQEVSTJZSA-N 439.516 3.515 0 40 IHAB O=C(CSc1nc2ccccc2o1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 12974435 QDECOXGAKJODFV-UHFFFAOYSA-N 431.539 3.733 0 40 IHAB O=C([C@H](Sc1ncnc2c1cnn2-c1ccccc1)c1ccccc1)N1CCOCC1 13126792 HZJDICDQPPSWBV-HXUWFJFHSA-N 431.521 3.508 0 40 IHAB CCOc1ccc([C@H](c2nnnn2C(C)(C)C)N2CCN(c3ccccc3F)CC2)cc1 13503994 WZULIHSQSXCMFM-JOCHJYFZSA-N 438.551 3.878 0 40 IHAB CCC(C)(C)n1nnnc1[C@H](c1ccc(F)cc1)N1CCN(c2cccc(OC)c2)CC1 13504103 JSVCLWXLXKIJCV-QFIPXVFZSA-N 438.551 3.878 0 40 IHAB O=C(COC(=O)C1(c2ccc(F)cc2)CCCC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 13984294 UATKVMOISMGWDH-UHFFFAOYSA-N 442.531 3.975 0 40 IHAB CC(C)c1ccc(-c2noc(CN3CCN(S(=O)(=O)c4ccccc4F)CC3)n2)cc1 15408382 CYIZUDHQUWPWTC-UHFFFAOYSA-N 444.532 3.506 0 40 IHAB CS(=O)(=O)N1CCCc2cc(C(=O)N3CCC[C@@H]3c3nc4ccccc4s3)ccc21 15599812 BQLNWMSBHRYWKW-LJQANCHMSA-N 441.578 3.986 0 40 IHAB CCOC(=O)[C@@H]1CCCN([C@@H](c2ccc(C)cc2)c2sc3nc(CC)nn3c2O)C1 16690071 BSKKTIHAIIMXPA-AEFFLSMTSA-N 428.558 3.732 0 40 IHAB COc1cc(CC(=O)N2CCC[C@@H](c3ccnc(-c4cccnc4)n3)C2)cc(OC)c1OC 19549630 YVICIPOVCDHLJP-LJQANCHMSA-N 448.523 3.513 0 40 IHAB Cc1noc(C)c1C(=O)N1CCC[C@@](Cc2ccccc2-c2cccnc2)(C(=O)N(C)C)C1 19579898 HMNJZCMXLBIINY-SANMLTNESA-N 446.551 3.907 0 40 IHAB O=C(c1n[nH]c2c1CCC2)N1CCO[C@@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 19693119 HNFOXHHKKGFKMP-QGZVFWFLSA-N 443.429 3.588 0 40 IHAB CC1(C)Cc2c(c(N3CCOCC3)nc3sc4c(N5CCCC5)nnnc4c23)CS1 19706485 DIZPRSORGCBLPX-UHFFFAOYSA-N 442.614 3.639 0 40 IHAB Cc1ccc(S(=O)(=O)NC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 19834651 VSSZMIJJJHZQHJ-UHFFFAOYSA-N 449.576 3.801 0 40 IHAB CS(=O)(=O)N(CC(=O)N1CCc2ccccc2C1)c1ccc(Cl)c(C(F)(F)F)c1 20237541 SKQOIPRNNCRAHU-UHFFFAOYSA-N 446.878 3.710 0 40 IHAB CCOc1ccccc1CNC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1 20481488 ASDSJBXKYJFSRQ-UHFFFAOYSA-N 438.549 3.982 0 40 IHAB CC(=O)c1ccc(-c2ccc(C(=O)O[C@@H](C)C(=O)NC(=O)NCc3ccccc3)o2)cc1 21604623 PTCVFELYSOBYMG-INIZCTEOSA-N 434.448 3.721 0 40 IHAB COc1ccc(NC(=O)[C@@H](C)Oc2ccccc2C)cc1S(=O)(=O)N1CCCCC1 22532289 FSJUXLTXQVDUFW-QGZVFWFLSA-N 432.542 3.584 0 40 IHAB COc1ccc(C(C)=O)c(OCC(=O)Nc2cccc(I)c2)c1 22744443 GNCIXTAPZUQGEE-UHFFFAOYSA-N 425.222 3.520 0 40 IHAB Cc1cc(CN2CCN(Cc3nc4scc(-c5ccc(C)s5)c4c(=O)[nH]3)CC2)no1 22805055 IGFKHASLQZTWKV-UHFFFAOYSA-N 441.582 3.636 0 40 IHAB CC(=O)Nc1ccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccccc2)cc1 23125391 AOEAXINXVNJMSA-UHFFFAOYSA-N 429.523 3.784 0 40 IHAB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(-n3ccnc3)cc2)cc1 23889653 DUBAILVNFCCHGO-UHFFFAOYSA-N 432.505 3.950 0 40 IHAB CC(=O)Nc1ccc(-c2csc(NC(=O)C3CCN(C(=O)c4ccncc4)CC3)n2)cc1 24829220 GVVMXSOVBQFQNW-UHFFFAOYSA-N 449.536 3.654 0 40 IHAB CCOC(=O)c1sc2cccc(F)c2c1COC(=O)c1nn(C)c(=O)c2ccccc12 26434218 HFKJRUAMQMOMFX-UHFFFAOYSA-N 440.452 3.821 0 40 IHAB CSc1cccc(N2C[C@H](C(=O)N3CCN(c4cccc(Cl)c4)CC3)CC2=O)c1 27064667 KTHVZNCNALGZIG-MRXNPFEDSA-N 429.973 3.764 0 40 IHAB O=S(=O)(c1cccc(CSc2ccccc2Br)c1)N1CCOCC1 29745015 JMABVYAPORNIPF-UHFFFAOYSA-N 428.373 3.762 0 40 IHAB CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)c3ccncc23)c1 30013200 CTIQLONEYICSND-UHFFFAOYSA-N 438.553 3.776 0 40 IHAB CCOc1ccccc1CNS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCCCC2)c1 44880247 HZKMAAMZCZEIAR-UHFFFAOYSA-N 446.569 3.589 0 40 IHAB O=C(Nc1cccc(-c2nnn[nH]2)c1)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1 49609493 OOAVDXCPTODBBK-GOSISDBHSA-N 426.480 3.511 0 40 IHAB COc1cc(OC)cc(C(=O)N2CCN(c3c(F)c(F)c(Cl)c(F)c3F)CC2)c1 57317255 HQSAUZNIFSZTJR-UHFFFAOYSA-N 432.801 3.876 0 40 IHAB COc1ccccc1Cn1c(SCC(=O)N2CCCCC2)nc2ccsc2c1=O 57425660 KHDSLMGOFSBNAF-UHFFFAOYSA-N 429.567 3.620 0 40 IHAB COc1ccc(OC)c2c1CN(C(=O)Nc1ccc(-n3nc(C)cc3C)c(F)c1)C[C@@H]2O 58370689 WPBDDQBVZVVJEX-IBGZPJMESA-N 440.475 3.727 0 40 IHAB COc1cc(/C=C/C(=O)NCC(=O)O)cc(Br)c1OCc1ccc(C)cc1 62715527 PYZVCGWAQWZBFB-BQYQJAHWSA-N 434.286 3.559 0 40 IHAB COc1ccc(OC)c(NC(=O)[C@@H]2C[C@@H]3CCCN3[C@]23C(=O)Nc2c(Cl)cccc23)c1 64227618 FDSIIYLSNZHBJC-BSGVFPLJSA-N 441.915 3.628 0 40 IHAB CCOc1cccc(CNC(=O)CCn2ccn3nc(-c4ccc(C)c(C)c4)cc3c2=O)c1 67260858 DFMFYLMWOVLDBY-UHFFFAOYSA-N 444.535 3.885 0 40 IHAB O=C1NC(=O)C2(CCC(C(=O)O[C@H](c3cccc(C(F)(F)F)c3)C(F)(F)F)CC2)N1 72310802 JBUNFFWMDOBSQF-FTMAYTQWSA-N 438.324 3.620 0 40 IHAB COc1cccc(-c2noc([C@H]3CCN(Cc4cc(OC)c(OC)c(OC)c4)C3)n2)c1 72369876 ZSVVMOUBWZUQNN-KRWDZBQOSA-N 425.485 3.761 0 40 IHAB CS(=O)(=O)c1cc(Cl)cnc1[C@@H]1CCCN(Cc2cc3c(cc2Cl)OCO3)C1 72394297 RONXLXOTHLPMEI-GFCCVEGCSA-N 443.352 3.900 0 40 IHAB COc1ccc(S(=O)(=O)CCC(=O)Nc2ccc3c4c(cccc24)CC3)cc1OC 78869533 QPXVLUSNJBXLRA-UHFFFAOYSA-N 425.506 3.758 0 40 IHAB COc1cc(C(C)=O)ccc1OCC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 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430.520 3.935 0 40 IHAB O=C(Nc1nnc(S(=O)(=O)N2CCCCCC2)s1)c1ccc(Cl)cc1Cl 224657630 WMISPHDIXLYKSM-UHFFFAOYSA-N 435.358 3.662 0 40 IHAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(OC)c(OC)c1 225003873 UIHQTGSFPWLWOG-RBUKOAKNSA-N 426.557 3.968 0 40 IHAB CCc1ccc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3ccc(C)cc3)CC2)cc1 225600043 AYRAQFPTGASOOD-LJQANCHMSA-N 428.598 3.977 0 40 IHAB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H]4C=C[C@@H](CC4)[C@@H]3C(=O)O)c2C(N)=O)C1 225756252 WMSULPLDRZCYDX-IJNPPISZSA-N 430.570 3.850 0 40 IHAB CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H]5ON=C(c6ccccc6Cl)[C@@H]45)[C@H]3C2=O)cc1 248379843 OCLBEOGWDVALDN-LPSPBKCASA-N 434.879 3.717 0 40 IHAB C[C@@]12CC[C@@H](C[C@@H]1C(=O)N1CC[C@]3(O)CCCC[C@@H]3C1)[C@@]1(C2)NC(=O)c2ccccc2N1 253596948 YLADSPDXWVIEID-YVSFBZFJSA-N 437.584 3.518 0 40 IHAB CN(C)CCOc1ccc(C(=O)N2CCC[C@H](c3cccc(Nc4cnccn4)n3)C2)cc1 257200304 ACUWYLRZFITBRR-FQEVSTJZSA-N 446.555 3.575 0 40 IHAB O=C1CO[C@]2(CCN(C(=O)C3(c4ccc(F)cc4)CCCC3)C2)CN1c1ccc(F)cc1 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JFFXXJOEJVQESJ-BULFRSBZSA-N 446.503 3.633 0 40 IHAB Cc1cc(C)cc(S(=O)(=O)N2CCC3(CC2)OCC[C@H]3CCOCc2ccccn2)c1 575402686 FINMOUXIONWSSG-OAQYLSRUSA-N 444.597 3.865 0 40 IHAB CC(C)(NC(=O)c1ccc(F)cc1)C(=O)N1CCOC[C@@H](Cc2ccc3cnccc3c2)C1 585262082 QJBXVJNMJASYGV-IBGZPJMESA-N 449.526 3.600 0 40 IHAB Cc1nc(Nc2nc(C)c(C)s2)cc([C@@H]2CCCN(C(=O)/C=C/c3ccnn3C)C2)n1 585291318 BAVDOBCXNZUASX-IWAYRVGRSA-N 437.573 3.755 0 40 IHAB CCCn1cc(C(=O)N2CCN(C)CCCN(C(=O)CC(C)C)c3ccccc3C2)cn1 643555193 VNAOWFBLJOYBPZ-UHFFFAOYSA-N 439.604 3.650 0 40 IHAB O=C(NC1CCCC1)c1ccc2c(c1)[C@@H](C1CCN(C(=O)C3CC(F)(F)C3)CC1)C(=O)N2 2055771946 LWTSKCPDAROTPA-HXUWFJFHSA-N 445.510 3.679 0 40 IHAB CCOc1ccc(NC(=O)CSc2nnc(CCc3nc4ccccc4[nH]3)n2C)cc1 650927 OHKUPAJIJJUVQQ-UHFFFAOYSA-N 436.541 3.606 0 40 IHAB CC(=O)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(C(=O)O)cc3)C(=O)[C@@H]12 716552 WFUPUDMUCATRAO-KWMZMRFFSA-N 437.451 3.525 0 40 IHAB COc1ccc(OC)c(NC(=O)CSc2nnc3c(C)cc4cc(OC)ccc4n23)c1 928475 OZMBDKXYJJQDCO-UHFFFAOYSA-N 438.509 3.948 0 40 IHAB CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc3c(c2)OCO3)N2C(=O)CCSC2=N1 1254287 BTBDOVYOGOSQJT-NRFANRHFSA-N 436.489 3.809 0 40 IHAB CCc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C)cc3)c(O)n2)cc1 2699256 PHRMORKJVKXWKC-UHFFFAOYSA-N 443.550 3.617 0 40 IHAB Cc1ccc(C)c(NC(=O)CSC2=N/C(=C/c3cn(C)nc3C)C(=O)N2CC(C)C)c1 2785938 SKNKDIGMNXJSGI-KEBDBYFISA-N 439.585 3.912 0 40 IHAB CCn1c(SCC(=O)NC2CCCCC2)nnc1[C@@H](C)NC(=O)c1cccc(C)c1 4699314 SKGLQBSSODAWOO-MRXNPFEDSA-N 429.590 3.638 0 40 IHAB COc1ccc([C@@H](c2nnnn2Cc2ccc(F)cc2)N2CCC(C)CC2)c(OC)c1 4847707 BKSQYPHAKDIBDF-QFIPXVFZSA-N 425.508 3.699 0 40 IHAB CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc(I)cn2)cc1 8970173 PKJQETBEPVQNLG-UHFFFAOYSA-N 441.294 3.600 0 40 IHAB CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nc(O)c3cnn(-c4ccccc4)c3n2)c1 9051163 KPLKJZDKEAERDX-CQSZACIVSA-N 433.493 3.843 0 40 IHAB CCOc1ccccc1/C=c1\sc2nnc(-c3ccc(Br)cc3)n2c1=O 9187914 WGUGSFQITJSLTK-WJDWOHSUSA-N 428.311 3.527 0 40 IHAB Cc1ccccc1Cn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2ccc(Cl)cc2)n(C)c1=O 9292824 IYURZVLYVQTDEH-HNNXBMFYSA-N 449.942 3.695 0 40 IHAB Cn1c(-c2ccccc2)c(C(=O)CSc2nnnn2C[C@H]2CCCO2)c2ccccc21 9415074 VTPLYUJVGFPUOH-QGZVFWFLSA-N 433.537 3.986 0 40 IHAB COCCn1c(C)cc(C(=O)CSc2nc3ccccc3c(=O)n2[C@H](C)COC)c1C 9540423 HJAHNBLVBFQIME-MRXNPFEDSA-N 443.569 3.644 0 40 IHAB CCCCCOc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCN(C(C)=O)C3)cc1 9639454 PDVCZGHXWFIJLF-UHFFFAOYSA-N 429.542 3.573 0 40 IHAB COc1ccc(NC(=O)CSc2nccn(-c3cc(C)cc(C)c3)c2=O)c(OC)c1 9639964 DOWUGYJXSQJUPA-UHFFFAOYSA-N 425.510 3.597 0 40 IHAB CC[C@@H](C)c1ccccc1NC(=O)CSc1nc2cc(S(N)(=O)=O)ccc2n1CC 9645916 DAOPNNCJKNBRRG-CQSZACIVSA-N 446.598 3.948 0 40 IHAB O=S(=O)(Nc1ccc2c(c1)N(S(=O)(=O)c1cccs1)CCC2)c1cccs1 9708667 KOVIHBSLQLKCHS-UHFFFAOYSA-N 440.593 3.752 0 40 IHAB COc1ccc(CNC(=O)CSc2nnc(C3CCCCC3)n2-n2cccc2)cc1 9738309 UNSLARRZSPYXFK-UHFFFAOYSA-N 425.558 3.856 0 40 IHAB CCN(CC)c1ccc(NC(=O)N[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c(C)c1 9829799 GMXQUITWOGBFKN-QGZVFWFLSA-N 438.528 3.539 0 40 IHAB Cc1sc2nc(SCC(=O)Nc3nccs3)n(Cc3ccco3)c(=O)c2c1C 9970698 VJIISYMTSGPAMA-UHFFFAOYSA-N 432.552 3.903 0 40 IHAB Cn1ccnc1[C@H](NC(=O)CSc1nnc2c(Cl)cc(Cl)cn12)c1ccccc1 10098294 RJLDGKWOEXOTGG-MRXNPFEDSA-N 447.351 3.768 0 40 IHAB CCOC(=O)c1c(NC(=O)c2cccc(NS(C)(=O)=O)c2C)sc2c1CCCC2 10112792 GNAOLSXPRZDUTK-UHFFFAOYSA-N 436.555 3.736 0 40 IHAB COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1c(F)c(F)c(F)c(F)c1F 10119856 HEEILGOLADFXRN-UHFFFAOYSA-N 441.341 3.809 0 40 IHAB COc1ccc(OC)c(-c2c(Nc3ccc(C)cc3C)oc3c2c(=O)n(C)c(=O)n3C)c1 11615612 BRBJGGITMIKYCV-UHFFFAOYSA-N 435.480 3.875 0 40 IHAB Cc1cccc(-n2nc3c(c2NC(=O)c2cc4ccccc4oc2=O)C[S@](=O)C3)c1C 11726347 RDELWMMOXKHEOZ-WJOKGBTCSA-N 433.489 3.610 0 40 IHAB CCn1cc(S(=O)(=O)N2CCCCC[C@H]2c2cc(-c3ccc(OC)cc3)no2)cn1 12159494 HMTXHWLSTJICPR-FQEVSTJZSA-N 430.530 3.873 0 40 IHAB C[C@@H](c1nnc(SCc2nc3ccsc3c(=O)[nH]2)n1-c1ccc(F)cc1)N(C)C 12517184 UNEFMMKLYZIEEK-NSHDSACASA-N 430.534 3.619 0 40 IHAB CN1C[C@@H](NC(=O)COc2ccccc2)C[C@H]1c1nc(-c2ccc3ccccc3c2)no1 12529888 ORJLIKQDXKQDLD-UNMCSNQZSA-N 428.492 3.830 0 40 IHAB biogenic,in-vitro CCCN(Cc1ccc(OCC)c(OCC)c1)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 12794555 FNFYBHIBMMINGS-UHFFFAOYSA-N 446.569 3.970 0 40 IHAB COc1ccccc1[C@@H](C)NC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 12922878 LQWZIJXMCTVYGN-UWXVCKHVSA-N 428.554 3.585 0 40 IHAB O=C(CNC(=O)Nc1ccccc1)NCCSCc1ccc(Br)s1 12927686 XTFDCBYDZUNZGZ-UHFFFAOYSA-N 428.377 3.682 0 40 IHAB O=C1C[C@@H](c2ccc3c(c2)OCO3)c2c(nc(SCc3cccc(Cl)c3)[nH]c2=O)N1 13567427 JFNZUCTVPHOLOF-AWEZNQCLSA-N 441.896 3.918 0 40 IHAB COc1ccccc1NC(=O)C1=C(C)Nc2nc(SC)nn2[C@H]1c1ccccc1OC 13607333 OUKLQTPHCFAIQR-IBGZPJMESA-N 437.525 3.945 0 40 IHAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCCOc1ccc(Cl)c(C)c1 14071251 DVKYAPZOKLJECA-UHFFFAOYSA-N 440.949 3.705 0 40 IHAB CC[C@H](C)n1c(S[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)nc2ccccc2c1=O 14108862 IHPBJRLMNCVUHT-LSDHHAIUSA-N 439.537 3.893 0 40 IHAB O=C(CSc1nc(C2CC2)n[nH]1)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 14846495 SCNYSPPEJKRGOD-UHFFFAOYSA-N 448.596 3.735 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)cc1 14862277 MNNGGTRMEJSGAH-UHFFFAOYSA-N 444.553 3.989 0 40 IHAB O=C(CSc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2)Nc1ccccc1 15183819 HZDXYNKCDAWLCD-UHFFFAOYSA-N 445.548 3.991 0 40 IHAB CCCCn1c(CN(C)Cc2ccc(Cl)s2)nc2cc(S(N)(=O)=O)ccc21 15414622 VEAABZXGXVJGPA-UHFFFAOYSA-N 426.995 3.831 0 40 IHAB CC(=O)Nc1cccc(NC(=O)c2cc3cccnc3n(Cc3ccc(F)cc3)c2=O)c1 15883368 IUFCWVLIEYDFJT-UHFFFAOYSA-N 430.439 3.795 0 40 IHAB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1I 16097603 TWDMKCFFEDJLJD-UHFFFAOYSA-N 445.278 3.562 0 40 IHAB CC(C)n1ncc2c(C(=O)OCc3nc(N)nc(Nc4ccccc4)n3)cc(C3CC3)nc21 17275609 VSXDKYPURAPALX-UHFFFAOYSA-N 444.499 3.757 0 40 IHAB O=C(NC1CCCC1)c1cc(C2CCN(C(=O)CCOc3cccc(F)c3)CC2)no1 19294246 QXZBYSUAHPZKEN-UHFFFAOYSA-N 429.492 3.661 0 40 IHAB Cn1cc(CN2CCO[C@H](c3c(C(=O)NCCO)sc4ccccc34)C2)c2ccccc21 19697593 UKMFTZLYZKXVFQ-NRFANRHFSA-N 449.576 3.689 0 40 IHAB O=C(Nc1ccc(F)cc1F)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 20007908 VVNUEYKRHMQHJL-HXUWFJFHSA-N 434.439 3.632 0 40 IHAB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)Nc1ccc(Cl)c(Cl)c1 21131412 ZIYOKHMBGIBRSS-LLVKDONJSA-N 425.243 3.667 0 40 IHAB COC(=O)c1ccc(Cl)c(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1 21358279 GMDVKPXQSXBZMW-UHFFFAOYSA-N 436.917 3.554 0 40 IHAB CCc1ccc(N(CC(=O)NCCCc2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1 22361656 MULSEZMABNGQLV-UHFFFAOYSA-N 432.586 3.551 0 40 IHAB O=C(c1cn(Cc2ccccc2)nc1-c1cccs1)N1CCN(C[C@@H]2CCCO2)CC1 23934931 QGSNSUNVJIKTDR-FQEVSTJZSA-N 436.581 3.597 0 40 IHAB O=C(/C=C/c1cccc(F)c1)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 24496570 IGXBHGBJDGGAMO-RUDMXATFSA-N 426.879 3.887 0 40 IHAB Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)CCNC(=O)Cc1ccccc1 27641939 VIGXNWOKGJJBQN-UHFFFAOYSA-N 431.540 3.667 0 40 IHAB COc1ccccc1OCC(=O)NC[C@@H](c1ccc(C(C)(C)C)cc1)N1CCOCC1 28290622 BLKGCIIHAWPROQ-NRFANRHFSA-N 426.557 3.561 0 40 IHAB NC(=O)CCn1c(SCCOc2ccc(Cl)cc2Br)nnc1C1CC1 28909237 NUYSARXUCRUOAM-UHFFFAOYSA-N 445.770 3.618 0 40 IHAB Cc1ccc(-c2nc(C)sc2CC(=O)N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 29481820 DESLBESSUYCITQ-OAHLLOKOSA-N 443.594 3.836 0 40 IHAB CCOc1ccc(NC(C)=O)cc1S(=O)(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1 32903072 RFMYYRRXWFPYME-GOSISDBHSA-N 448.541 3.587 0 40 IHAB C[C@H](O)CCc1ccc(OCC(=O)Nc2cccc(I)c2)cc1 32913380 VQLCPUYQHOMLQN-ZDUSSCGKSA-N 425.266 3.622 0 40 IHAB COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(c2ncnc3cc(Cl)ccc23)CC1 32916264 ITWPEEKWUAHXRB-IBGZPJMESA-N 431.323 3.973 0 40 IHAB CN(C[C@H]1COc2ccccc2O1)C(=O)CNC(=O)c1sc2ccccc2c1Cl 33024128 RUDYEINPHBIWEU-ZDUSSCGKSA-N 430.913 3.583 0 40 IHAB Cc1ccc(S(=O)(=O)c2c(C(=O)N3CCSCC3)cnc3ccc(F)cc23)cc1 33249316 JXLQTWXJAFKGIX-UHFFFAOYSA-N 430.526 3.704 0 40 IHAB O=C(NCc1cccnc1)c1ccc2c(=O)n(Cc3ccc(Cl)cc3)c(S)nc2c1 33540855 LDXDSIRFKGHTLE-UHFFFAOYSA-N 436.924 3.712 0 40 IHAB COC(=O)c1ccccc1NC(=O)[C@H]1CC(O)=Nc2c(C)c(-c3ccc(OC)cc3)nn21 35684868 WCIXJIGLYYOONA-GOSISDBHSA-N 434.452 3.825 0 40 IHAB Cc1cc(C(=O)Nc2ccc(Cn3cc(Br)cn3)cc2)c2cnn(C)c2n1 36616894 DUYLNEKWWCUZOV-UHFFFAOYSA-N 425.290 3.536 0 40 IHAB CN(C(=O)CSc1nc2c(cnn2Cc2cccc(Cl)c2)c(=O)[nH]1)c1ccccc1 36712362 POXJBPVZNREAMA-UHFFFAOYSA-N 439.928 3.576 0 40 IHAB COc1ccc(C2=NO[C@@]3(CC(=O)N(c4ccc5ccccc5c4)C3=O)C2)c(OC)c1OC 40288498 UYXHIKUWWZIJEV-RUZDIDTESA-N 446.459 3.692 0 40 IHAB CC[C@H](NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1)c1ccccc1 44901020 PZVXFGGUASCHCB-NZQKXSOJSA-N 436.533 3.910 0 40 IHAB O=C(O)C[C@@H]1CCN(C(=O)c2ccc(F)cc2)C[C@@H]1CC1=NCCc2cc(F)ccc21 49590579 CAVFOKJYWHFGKR-WMZOPIPTSA-N 426.463 3.953 0 40 IHAB biogenic,in-vitro COCCC(=O)N[C@H](c1ccccn1)C1CCN(Cc2ccc(OC)c(C)c2C)CC1 57774013 KEVPPGJRFTUXKC-VWLOTQADSA-N 425.573 3.813 0 40 IHAB CC(=O)[C@H]1CC(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)=NN1c1ccccc1 58201814 LQOXOKQAMOUZIA-LJQANCHMSA-N 448.504 3.744 0 40 IHAB O=C(Nc1nccs1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2-c2ccccc2)C1 58370043 UIBJNXYMLILMKW-QGZVFWFLSA-N 427.551 3.850 0 40 IHAB Cc1c(C(=O)Nc2ccccc2F)nnn1-c1cccc2c1CCN(Cc1cccnc1)C2 69981774 NKQLSWUUWIKXCM-UHFFFAOYSA-N 442.498 3.920 0 40 IHAB Cc1nc(CN(C)Cc2nc3ccccc3n2C)nc2c1CCC(=O)N2Cc1ccccc1 72371003 JHKICKAIXBSCBX-UHFFFAOYSA-N 440.551 3.783 0 40 IHAB O=C(CCC1CCCC1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(Cc1cccnc1)CC2 72399081 FFHIDRVGQJAIIZ-HSZRJFAPSA-N 449.599 3.747 0 40 IHAB Cc1c(CNC(=O)Cn2cnc3ccccc3c2=O)sc2nc(-c3ccc(F)cc3)cn12 90593768 BASBROWUFWPWBN-UHFFFAOYSA-N 447.495 3.537 0 40 IHAB Cc1nc(NCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc(Nc2ccccn2)n1 90607918 IGCMGSPWWYBQQN-UHFFFAOYSA-N 440.935 3.963 0 40 IHAB CCn1cc(S(=O)(=O)N2[C@H](COc3cccc(C(F)(F)F)c3)[C@@H]3CC[C@@H]2C3)cn1 100112692 SHEPTWAQGDNRTO-DDUZABMNSA-N 429.464 3.542 0 40 IHAB CC(=O)N1CCc2nc3cc([C@@H]4CCCCN4Cc4cc5ccccc5o4)nn3c(O)c2C1 100243157 VHWMFPKWLSSIOG-QFIPXVFZSA-N 445.523 3.813 0 40 IHAB Cc1nn(Cc2ccc(Br)cc2)c(C)c1NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 102023605 KPXZNHZJKZYRBU-ONIAQPFYSA-N 444.329 3.772 0 40 IHAB O=C(c1ccccc1)[C@H]1[C@@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN21 103510633 DUBAAHJGMOUHKK-WBADGQHESA-N 439.446 3.587 0 40 IHAB C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)[C@@H]1C[C@H]2CC[C@H]1C2 105763916 CLPRTTHDEGVWEL-WPOIJDHESA-N 444.641 3.907 0 40 IHAB C[C@H]1CN(S(=O)(=O)c2cc(C(=O)N3c4ccccc4C[C@@H]3C)ccc2Cl)C[C@H](C)O1 108893956 JTAKMCCVLUGHHX-JYJNAYRXSA-N 448.972 3.729 0 40 IHAB O=C(O)CCC(=O)Nc1ccc(S[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)cc1 113563205 JGRDCVWUEDIXIX-MRXNPFEDSA-N 432.885 3.568 0 40 IHAB CCOC(=O)CN1C(=O)S/C(=C/c2cccc(OCCOc3ccccc3)c2)C1=O 205688018 YFOPFBNXBAZSDC-XMHGGMMESA-N 427.478 3.744 0 40 IHAB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)cc(OC)c1O 210808851 GFESJOPNVMFOIL-CXUHLZMHSA-N 448.884 3.738 0 40 IHAB COc1cccc(CCCNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c1 218800973 BYKUIONZEXQGJV-UHFFFAOYSA-N 430.551 3.920 0 40 IHAB Cc1cc(C(=O)NCCSCc2ccccc2Cl)ccc1N(C)S(C)(=O)=O 222470502 HRFJQNLPJCJLDK-UHFFFAOYSA-N 426.991 3.707 0 40 IHAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)s2)c1 223253866 TZKMIUKRIABCHC-UHFFFAOYSA-N 442.444 3.918 0 40 IHAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1ccccc1 223407887 JPUHKCYJFUOVNN-DEOSSOPVSA-N 434.511 3.981 0 40 IHAB Cc1ccc(C)c(N([C@@H](C)C(=O)NCCOc2cccc3ccccc23)S(C)(=O)=O)c1 223533150 JIWAPUZBAAUBIV-IBGZPJMESA-N 440.565 3.806 0 40 IHAB CCC1(CC)C[C@H](NC(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)c2ccccc2O1 223976412 VFHVQMNIKLHKGF-FQEVSTJZSA-N 446.569 3.660 0 40 IHAB COc1ccc(CN(C(=O)COc2cc(C)cc(C)c2)[C@@H](C)C(=O)NCC(C)C)cc1 224471753 WGPBDUFRXLLXMU-FQEVSTJZSA-N 426.557 3.880 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCc3ccc(Cl)cc3)CC2)cc1 225480006 NXNFWBOVBBOVHA-UHFFFAOYSA-N 434.989 3.798 0 40 IHAB COc1ccccc1[C@@H](C)NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 225486309 VOOGDYRECRLNLR-GFCCVEGCSA-N 431.341 3.645 0 40 IHAB C[C@H]1CCCN(c2cc(N3CCCCC3)nc(NC(=S)NCc3cccnc3)n2)C1 225939698 PNNHPLNMADBHNN-KRWDZBQOSA-N 425.606 3.585 0 40 IHAB CNc1cc([C@]2(C)CCCN(C(=O)C3(c4cccc(F)c4)CCOCC3)C2)nc(C)n1 257254586 KDTPGBPAGOGNLP-HSZRJFAPSA-N 426.536 3.594 0 40 IHAB Cc1nc(Nc2cccc([C@@H]3CN(C(=O)CCc4c(C)n[nH]c4C)CCO3)n2)sc1C 257302538 SDGTZFLQMNKBTN-IBGZPJMESA-N 440.573 3.771 0 40 IHAB CC[C@H](C(=O)N[C@H](C)c1ccc2c(c1)CCC2)N(c1cccc(OC)c1)S(C)(=O)=O 260920109 FNLCEVLWEMEHLU-OPAMFIHVSA-N 430.570 3.606 0 40 IHAB COc1ncccc1NC(=O)c1nc(-c2ccnn2-c2ccc(C)cc2)n2ccncc12 306141103 VLKPOGJOQDHAIG-UHFFFAOYSA-N 425.452 3.546 0 40 IHAB O=C1N(Cc2ccccc2)CCO[C@@]12CN(Cc1ccccc1F)C[C@H]2c1cccnc1 306144497 ZGQGJEDOAQAVAC-JYFHCDHNSA-N 431.511 3.618 0 40 IHAB Cc1cc(C)cc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)c1 408651405 DKJORGPEDDXMJF-HNNXBMFYSA-N 434.414 3.857 0 40 IHAB Cc1ccc(C(=O)N[C@H](C)c2nnc(SCC(=O)N[C@H](C)c3ccccc3)n2C)cc1 409134496 UEZZNTAGTYHTCE-IAGOWNOFSA-N 437.569 3.584 0 40 IHAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)cc1 409205540 PEIVHSXJIAOCEO-CYBMUJFWSA-N 430.448 3.800 0 40 IHAB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Cl)cc(OC)c3O)C2=O)cc1 409248305 PKEWXKQFERGEDK-LZYBPNLTSA-N 448.884 3.738 0 40 IHAB O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)N[C@@H]1CCO[C@@]2(CCOC2)C1 538902886 KZFFKADPANSIJP-ZHRMCQFGSA-N 442.943 3.656 0 40 IHAB Cc1cc(=O)n2c(n1)SC[C@H]2CC(=O)NCc1sc(-c2ccccc2Cl)nc1C 585239426 PUYQZGQBDMYUAX-CYBMUJFWSA-N 446.985 3.990 0 40 IHAB Cc1noc(C)c1CCC(=O)N1CCCCN(C)C(=O)c2cc(Cl)ccc2OCC1 643556649 NSTUAIPJWFWYMN-UHFFFAOYSA-N 433.936 3.651 0 40 IHAB Cn1c2ccccc2c2cc(S(=O)(=O)N3CCC(c4nnc5n4CCCC5)CC3)ccc21 681281819 DBHSHQBBEZQFDK-UHFFFAOYSA-N 449.580 3.828 0 40 IHAB CCOc1ccccc1N1C[C@@H](C(=O)Nc2cc(-c3cc(F)cc(F)c3)[nH]n2)CC1=O 1629935037 QMZYXRRJCCZGDM-AWEZNQCLSA-N 426.423 3.745 0 40 IHAB CCCN1CCN(C(=O)C2CCNCC2)C[C@H](Cc2ccccc2-c2ccc(C)cc2)C1=O 1848353481 UTHFDULKINQGQF-VWLOTQADSA-N 447.623 3.901 0 40 IHAB COc1cc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3)n2C)cc(OC)c1OC 874119 CKGZHMLRNCUOLB-UHFFFAOYSA-N 448.932 3.892 0 40 IHAB CC1=C(C(N)=O)[C@H](c2ccc(OCc3c(Cl)cccc3Cl)cc2)N2NC=NC2=N1 936892 NUBWOPZCWWAWBE-SFHVURJKSA-N 430.295 3.591 0 40 IHAB CC1CCN(S(=O)(=O)c2ccc(-c3nnc(SCc4cccnc4)o3)cc2)CC1 1330194 MMCPYKXPJBWFEA-UHFFFAOYSA-N 430.555 3.845 0 40 IHAB Cc1c(Br)c(C(F)(F)F)nn1[C@H](C)C(=O)NC1CCN(C(C)C)CC1 2780635 RYAHHFMMJPIXOY-LLVKDONJSA-N 425.293 3.523 0 40 IHAB Cc1csc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)n1 3352410 GHLJSPUYLLUQGY-UHFFFAOYSA-N 433.477 3.510 0 40 IHAB COc1cc2c(cc1NC(=O)COC(=O)[C@H]1COc3ccccc3O1)oc1ccccc12 3497429 DXXKEYYFKRZJAH-JOCHJYFZSA-N 433.416 3.916 0 40 IHAB COc1ccc(NC(=S)N(CCCO)Cc2cc3cc(C)cc(C)c3[nH]c2=O)cc1 4127487 YTQNYDZHWLMXFC-UHFFFAOYSA-N 425.554 3.735 0 40 IHAB O=S1(=O)N=C(Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)c2ccccc21 8715406 ZPIUVBZGMDVXEQ-UHFFFAOYSA-N 447.925 3.702 0 40 IHAB COc1ccc(OCC(=O)NC(=S)Nc2cccc(-c3nc4ncccc4o3)c2)cc1 9009829 MGZYCNRVROUECB-UHFFFAOYSA-N 434.477 3.790 0 40 IHAB Cc1ccccc1OCc1nnc(SCC(=O)NC[C@@H]2CCCO2)n1-c1ccccc1 9119293 WNBXBGADQDWCNL-IBGZPJMESA-N 438.553 3.542 0 40 IHAB COc1ccc([C@@H]2CCCCCN2C(=O)/C=C/c2ccc(OCC(N)=O)c(OC)c2)cc1 9156486 ZTGXIMVTTYYSQS-RNRVDGCUSA-N 438.524 3.725 0 40 IHAB CCOc1ccc(NC(=O)C[C@H]2SC(CC(=O)Nc3ccc(C)cc3)=NC2=O)cc1 9283124 WQRFDDOXVORDCN-GOSISDBHSA-N 425.510 3.792 0 40 IHAB CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)Nc1nnc(C)s1 9304118 XPDYGVIZUGNNNU-JTQLQIEISA-N 438.966 3.810 0 40 IHAB COCCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1c[nH]c2ccccc12 9382327 ZRIBSCUXHHRLCO-UHFFFAOYSA-N 437.525 3.812 0 40 IHAB Cc1cc(NC(=O)CSc2nnc([C@@H]3COc4ccccc4O3)o2)n(-c2ccccc2)n1 9480953 XYUGEQSAELGCPQ-SFHVURJKSA-N 449.492 3.807 0 40 IHAB O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)c1ccc2c(c1)OCO2 9535029 ZPXLNAQOOYEASH-KRWDZBQOSA-N 441.484 3.967 0 40 IHAB COc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3cccc(F)c3)c3ccccc32)cc1OC 9614519 RJKBPEFSXTWJGM-VWLOTQADSA-N 435.451 3.850 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(Nc3ccc(Br)cc3)CC2)cc1 10060498 XHILSSNUXKZPAU-UHFFFAOYSA-N 425.348 3.723 0 40 IHAB Cc1cc(=O)oc2cc(OCC(=O)NCc3cc(Cl)c4c(c3)OCCCO4)ccc12 10447396 CHPQMJDUNCNOQZ-UHFFFAOYSA-N 429.856 3.611 0 40 IHAB O=C(Nc1nc(CCC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)c1ccccc1 11796791 WKIYUCRMWJWSGQ-UHFFFAOYSA-N 438.528 3.816 0 40 IHAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NC[C@@H](C)NC(=O)[C@@H](CC)Oc1ccc(C)cc1 12137357 WWIGNBPJZHTHOD-UEVCKROQSA-N 426.557 3.939 0 40 IHAB Cc1ccc(N2CCN(C(=O)c3cc(-c4cccs4)cc(-n4cnnn4)c3)CC2)cc1 12451356 IGFLZQSFLUMVEN-UHFFFAOYSA-N 430.537 3.662 0 40 IHAB O=C(COc1ccc(-c2ccccc2)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 12498056 IBKDHZHIYJCCSK-UHFFFAOYSA-N 430.504 3.806 0 40 IHAB O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 12551983 PPMYBMPJXKYZRB-UHFFFAOYSA-N 449.429 3.793 0 40 IHAB CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)NCCCN(C)c1ccccc1 12607371 KRLQEPPWRPAQIY-FQEVSTJZSA-N 446.389 3.846 0 40 IHAB Cc1ccccc1C(=O)N1CCC(C(=O)O[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)CC1 12803276 AUVCDSOMFSMKIE-RTBURBONSA-N 434.536 3.757 0 40 IHAB CCC(C)(C)NC(=O)[C@@H](c1ccccc1F)N(Cc1cccnc1)C(=O)c1csnn1 12874729 SDCUCWRNYTWPEO-LJQANCHMSA-N 441.532 3.761 0 40 IHAB CC[C@@H]1c2ccsc2CCN1C(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 12997196 PFNKOVDGPRGLAG-HXUWFJFHSA-N 448.610 3.693 0 40 IHAB Cc1noc(CSc2ccccc2C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)n1 13010565 IVLKWVGTDSKORT-UHFFFAOYSA-N 446.554 3.609 0 40 IHAB CCOc1ccc(C(C)=O)cc1CN1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 13038008 RYBHGNAKUPOCEG-UHFFFAOYSA-N 444.597 3.918 0 40 IHAB Cc1ccc(NCc2cc(=O)n3c(C)csc3n2)cc1S(=O)(=O)N1CCCCCC1 13070600 FZVQHVGAVLJESW-UHFFFAOYSA-N 446.598 3.550 0 40 IHAB COCCCN1C(=O)c2n[nH]c(-c3cc(C)cc(C)c3O)c2[C@@H]1c1ccc(O)c(OC)c1 13127023 RXLMGEVNTZDDNP-QFIPXVFZSA-N 437.496 3.695 0 40 IHAB CCOC(=O)[C@H]1CCCN(c2ccc(NCc3cc4cc5c(cc4[nH]c3=O)OCO5)cc2)C1 13563106 OVROFUVAOWESRV-INIZCTEOSA-N 449.507 3.648 0 40 IHAB Cn1c(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)nnc1SCc1ccccc1 13565264 OXFZNGHVQUGJEG-UHFFFAOYSA-N 442.488 3.605 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)c(C)c1 13671962 OIDVXRAWYSEKLX-QGZVFWFLSA-N 432.542 3.582 0 40 IHAB C[C@@H](N[C@H](C)c1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 14118608 LIJXFYIGMRQBPY-CHWSQXEVSA-N 444.384 3.922 0 40 IHAB C[C@H](NCC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1)c1cccs1 14169652 ITVOIDOZPHEATJ-INIZCTEOSA-N 429.567 3.863 0 40 IHAB C[C@H](c1ccccc1)N(C)C(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1 15595273 BJOHTAANYOELSJ-CYBMUJFWSA-N 425.348 3.533 0 40 IHAB CC1CCN(S(=O)(=O)c2ccc(C(=O)OCc3cnn(-c4ccccc4)c3)cc2)CC1 16718627 QYGBVVMAHWRUOT-UHFFFAOYSA-N 439.537 3.650 0 40 IHAB O=C(c1cccs1)N1CCc2nc([C@@H]3CCCN(C4CCCCC4)C3)[nH]c(=O)c2C1 19342758 JVRMXYIUNQLARV-MRXNPFEDSA-N 426.586 3.542 0 40 IHAB CCC(CC)C(=O)N1CC[C@H](c2nc(O)c3c(n2)CCN(Cc2ccc(OC)cc2)C3)C1 19500096 GPHVABVUNPPSSG-IBGZPJMESA-N 438.572 3.501 0 40 IHAB CCc1onc(C)c1C(=O)N1CCNC(=O)[C@H](Cc2ccccc2-c2ccccc2OC)C1 19521134 WKVUMCJISPQUQJ-LJQANCHMSA-N 447.535 3.652 0 40 IHAB Cc1nonc1C(=O)N1CCCC[C@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C(C)C)N2 19558774 ZMRRVROLFTXQNE-AEGPPILISA-N 426.443 3.886 0 40 IHAB Cc1nc([C@@H]2CCCCN2C(=O)c2cnn(C)c2)nc2c1CCCN2Cc1cccc(F)c1 19706186 LEXYKWAUJWSAKP-QFIPXVFZSA-N 448.546 3.978 0 40 IHAB CC1CCN(CCC(=O)N2CC[C@@H](c3cc(C(=O)NC(C)C)c4ccccc4n3)C2)CC1 19761211 ATGODDOXYQPAKB-HXUWFJFHSA-N 436.600 3.811 0 40 IHAB COc1cc(C)c(CN2CC[C@H](c3cc(C(=O)NCCO)c4ccccc4n3)C2)c(C)c1C 19761775 CRCLYQKNTDLUDM-FQEVSTJZSA-N 447.579 3.880 0 40 IHAB Cc1ccc(Nc2nc(N)nc(CN3CCN(C/C=C/c4ccccc4)CC3)n2)cc1C 19899254 DWUPIONCRSVNMN-RMKNXTFCSA-N 429.572 3.645 0 40 IHAB C[C@H](OC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)C(=O)Nc1ccc(N2CCCCC2)cc1 21856905 SYDLVRIDEYHYDA-MGPUTAFESA-N 439.487 3.812 0 40 IHAB CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)Nc1cccc2ccccc12 22252646 ZUOFQPBBEFRGCC-UHFFFAOYSA-N 428.510 3.895 0 40 IHAB Cc1nc2sc([C@@H](c3cccs3)N3CCN(c4ccc(F)cc4)CC3)c(O)n2n1 23158275 XHXPYXGGKRCAIJ-QGZVFWFLSA-N 429.546 3.917 0 40 IHAB COc1cc(C)c(CN2CCN(C(=O)CSc3nc4ccccc4o3)CC2)cc1OC 23296282 XBZHKKSFWFBQOM-UHFFFAOYSA-N 441.553 3.590 0 40 IHAB COC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)cc(Br)c2OC)cc1 24103141 AJVMVCYWJVUMKR-UHFFFAOYSA-N 434.695 3.699 0 40 IHAB CN(C[C@H]1COc2ccccc2O1)C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 24651948 XNBHPSRWCMEKCZ-FCHUYYIVSA-N 430.504 3.846 0 40 IHAB COc1ccc(-c2cc3ncnc(NCc4ccc(S(N)(=O)=O)cc4)c3s2)cc1 30546378 LMPZSROEUAAEDC-UHFFFAOYSA-N 426.523 3.626 0 40 IHAB COc1ccc([C@@H]2CC(O)=Nc3c2c(C)nn3-c2ccc(Cl)nn2)c(OC)c1OC 32096823 AFMTZKXRXNNTDB-LBPRGKRZSA-N 429.864 3.774 0 40 IHAB Cc1ccccc1N1C(=O)c2ccc(C(=O)Nc3ccc4oc(C(N)=O)cc4c3)cc2C1=O 32935158 YJUDKZJQWSEYGP-UHFFFAOYSA-N 439.427 3.893 0 40 IHAB O=S(=O)(N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(Br)cc1Cl 33047981 RURLKUQEAAVKFH-OAHLLOKOSA-N 429.767 3.655 0 40 IHAB Cc1cccc(C2=NC3(CCN(C(=O)Nc4ccccc4C(F)(F)F)CC3)NC2=O)c1 33267534 YQTVDGUEAYHCTG-UHFFFAOYSA-N 430.430 3.957 0 40 IHAB CN(C)S(=O)(=O)c1ccc(COc2ccccc2C(=O)NCCC2=CCCCC2)o1 38489246 KVQXSRNABSRTAL-UHFFFAOYSA-N 432.542 3.729 0 40 IHAB CN(C)[C@@H](CNC(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)c1ccsc1 40120907 PATDIKZLVLUMPJ-WMZOPIPTSA-N 439.503 3.535 0 40 IHAB C[C@@H](NC(=O)c1ccccc1NC(=O)CCS(=O)(=O)C1CCCC1)c1ccccc1 48265581 IQHRQTAUMGBJSE-QGZVFWFLSA-N 428.554 3.864 0 40 IHAB Cc1cc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccccc3Cl)c2=O)ccc1F 57494279 MJMFOYWOZYMNNA-UHFFFAOYSA-N 443.887 3.954 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)c3cc(=O)[nH]c4ccccc34)cc2)cc1 61948677 HMDVEDQQLMXXNW-UHFFFAOYSA-N 448.500 3.881 0 40 IHAB COc1ccc(S(=O)(=O)N2C[C@H](C(=O)Nc3ccccc3)Oc3cc(C)ccc32)cc1 64986345 OGJYOKPCRNPWAB-JOCHJYFZSA-N 438.505 3.599 0 40 IHAB O=C(NC(c1ccccc1)c1ccccc1)c1cnc(O)n(Cc2ccccc2F)c1=O 77099855 NYIRDIXXJDRZDB-UHFFFAOYSA-N 429.451 3.656 0 40 IHAB O=C(Nc1ccc(Br)cc1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 89797840 OHFCNBHTDUZOCN-UHFFFAOYSA-N 435.299 3.773 0 40 IHAB COc1cc(/C=C/C(=O)N[C@H](CC(=O)O)c2ccc(Cl)s2)cc(OC)c1OC 95463983 IWIGCAYXZDCNIG-RPTYSRGTSA-N 425.890 3.773 0 40 IHAB CCOC(=O)[C@]12CCCN(Cc3ccc(OC)cc3)C[C@H]1CN(Cc1cccc(C)n1)C2 96056082 CQOODDGDYVPVCN-NVQXNPDNSA-N 437.584 3.676 0 40 IHAB CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)sc(C)c1-c1ccc(F)cc1 100506976 URUDGDDQSSVEET-DIECFANBSA-N 447.484 3.856 0 40 IHAB COc1ccc([C@@H]2[C@H]3C(=O)N(c4c(Cl)cccc4Cl)C(=O)[C@H]3N3CCCN23)cc1 100771323 QHWCEOJNUJKGCS-LMMKCTJWSA-N 432.307 3.538 0 40 IHAB CC(=O)c1ccc(N2CCN([C@H]3CC(=O)N(c4cc(Cl)cc(Cl)c4)C3=O)CC2)cc1 101622107 OWHAPVDPMAOTGA-FQEVSTJZSA-N 446.334 3.650 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(OC)c2)c2ccc(F)cc2)cc1 108185091 UGRIEYKJLYBQIT-UHFFFAOYSA-N 444.484 3.677 0 40 IHAB CCOC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)Nc2cc(C)ccc2C)cc1 139104568 NOKRFMWZMLFKBB-UHFFFAOYSA-N 440.496 3.771 0 40 IHAB CCOC(=O)c1cccc(NC(=O)[C@@H](CC)N(c2ccc(Cl)cc2)S(C)(=O)=O)c1 219107721 KHMOMYXGCXQQMI-GOSISDBHSA-N 438.933 3.700 0 40 IHAB CCc1cccc(CC)c1NC(=O)[C@@H](C)N(c1cc(OC)ccc1OC)S(C)(=O)=O 220215177 VDVGJHXRBHQZKG-OAHLLOKOSA-N 434.558 3.622 0 40 IHAB CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc(Br)c(C)c1 222429233 OLXXGUVHGZXSEB-INIZCTEOSA-N 433.346 3.608 0 40 IHAB CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1cc(C)c(Br)c(C)c1 222429308 SYFPHYSNABLVCN-QGZVFWFLSA-N 447.373 3.916 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3c4ccccc4C[C@H]3C)CC2)cc1C 222578049 VWQPUWCIYHWGOJ-GOSISDBHSA-N 442.581 3.772 0 40 IHAB COC(=O)c1cn(C(=O)CCCN(c2ccc(C)c(C)c2)S(C)(=O)=O)c2ccccc12 222600061 NRPOQHCFRVKCSI-UHFFFAOYSA-N 442.537 3.931 0 40 IHAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2C2CCCCC2)N1CCN1CCOCC1 223149921 WXLQYVBAIAIHQG-DHIUTWEWSA-N 439.629 3.693 0 40 IHAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1F 223627349 FPYBKRBQROZSAG-HXUWFJFHSA-N 430.520 3.935 0 40 IHAB CCOc1ccccc1CN(C)S(=O)(=O)c1ccc(OC)c(C(=O)N2CCCCC2)c1 223873523 YGMVVWARXAEXGD-UHFFFAOYSA-N 446.569 3.541 0 40 IHAB COc1ccc(CN(C(=O)COc2ccc(F)cc2)[C@H](C)C(=O)NC2CCCC2)cc1 224074561 XVUYABJFZRTJGA-QGZVFWFLSA-N 428.504 3.689 0 40 IHAB O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(CS(=O)(=O)N2CCCC2)cc1 224970416 AQGNKTSZXHXQRW-UHFFFAOYSA-N 427.570 3.855 0 40 IHAB CC(C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN1C(=O)c2cccc3cccc1c23 225583872 SJPWTLVZNFXWIM-QGZVFWFLSA-N 447.510 3.881 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)NCC(C)(C)C)C2CCCCC2)cc1Cl 226058607 LIAQRFLYSKVPES-UHFFFAOYSA-N 430.998 3.834 0 40 IHAB C[C@]1(O)CCN(CC(=O)Nc2nc3ccc(Cl)cc3s2)C[C@@H]1Oc1cccc(F)c1 257251359 JQKUJZULFJFVDL-RXVVDRJESA-N 449.935 3.932 0 40 IHAB CSc1ccc(-c2cnc(N(C)C)nc2[C@H]2CCCN(C(=O)Cn3cccn3)C2)cc1 257258067 KSHIRSQZBVVMIQ-SFHVURJKSA-N 436.585 3.534 0 40 IHAB COc1ccc(NC(=O)CN2CCO[C@@H](c3cccc(Nc4cccc(C)n4)n3)C2)cc1 257293215 QOOMLNIVXRZJMG-OAQYLSRUSA-N 433.512 3.549 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)N3CCCCCC3)cc2)c(OC)c1 408594799 PINPKSQALKFBBL-UHFFFAOYSA-N 433.530 3.913 0 40 IHAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)CC)c(Cl)c2)cc1 408617855 DQUVTRCKUWDYSE-AWEZNQCLSA-N 440.949 3.833 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCCSCc1ccco1 408704278 ZRKIWXQERSCVCG-UHFFFAOYSA-N 436.599 3.672 0 40 IHAB CCOc1ccc(NC(=O)CSc2nc(O)cc(=O)n2-c2ccc(Cl)cc2)cc1 408895385 MPZIVGLPFMYZCO-UHFFFAOYSA-N 431.901 3.721 0 40 IHAB Cc1cc(-c2c3c(nc4c2c(=O)n(C)c(=O)n4C)-c2ccccc2[C@H]3O)c(C)c(C)c1C 408980185 FBKCMKZVSJNEHU-HSZRJFAPSA-N 427.504 3.595 0 40 IHAB CSc1cccc(NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)c1 409028137 KLUPBHLPQDHDKK-UHFFFAOYSA-N 429.361 3.576 0 40 IHAB Cc1ccc([C@H]2[C@H](NC(=O)c3cccc(C)c3)C(=O)N/[N+]2=C\c2ccc(Cl)cc2)cc1 409075236 XTMIBTNOFMFEPB-WAUWHALJSA-O 432.931 3.973 0 40 IHAB CC1(C)NC(=O)N(c2cccc(NC(=O)c3c[nH]nc3-c3cc4ccccc4o3)c2)C1=O 573771103 ASQSHTVRIOFCKE-UHFFFAOYSA-N 429.436 3.910 0 40 IHAB Cn1cc([C@@H]2CN(S(=O)(=O)c3ccc(Br)s3)Cc3ccccc32)cn1 575618834 JGAXSRXRNDYOII-HNNXBMFYSA-N 438.372 3.581 0 40 IHAB CC(=O)N1CCCCCCCN(C(C)C)Cc2cc(C(=O)N3CCN(C)CC3)ccc21 643576376 ZSEBNVGWEPMARB-UHFFFAOYSA-N 428.621 3.602 0 40 IHAB COc1ccccc1C1(C(=O)N2C[C@@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@@H]3C2)CC1 1888880019 JMOVLKZZWWGGEN-IYBDPMFKSA-N 431.458 3.735 0 40 IHAB CCOC(=O)COc1cccc2c(=O)n(CC(=O)Nc3ccccc3C(F)(F)F)ccc12 2712236 QOJBPEYMXDOWOW-UHFFFAOYSA-N 448.397 3.601 0 40 IHAB Cc1c(Cl)cccc1-n1c(SCC(=O)NC[C@@H]2CCCO2)nc2ccccc2c1=O 3323195 VTIAUBLCIYSNFC-HNNXBMFYSA-N 443.956 3.735 0 40 IHAB CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccc(OC(C)C)cc2)CC1 4711726 PCHIEMDPJZRVJZ-UHFFFAOYSA-N 425.529 3.655 0 40 IHAB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)/C=C/c1ccc(OC(F)F)cc1 8883308 HIIMZPZKUDKNMA-AWNIVKPZSA-N 431.439 3.747 0 40 IHAB COc1cc(-c2nnc3s/c(=C/c4ccc(C(C)C)cc4)c(=O)n23)cc(OC)c1OC 9189094 HLINSLGXDQVAQC-VXLYETTFSA-N 437.521 3.515 0 40 IHAB CCOc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1 9374591 UXDQAJFPWHPTSW-QFIPXVFZSA-N 432.480 3.739 0 40 IHAB CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)n1nnc(-c2cccc(OC)c2)n1 9500397 AOBRELRIVCVRHT-JOCHJYFZSA-N 429.480 3.976 0 40 IHAB COCCn1c(SCC(=O)NCc2ccc(C)cc2)nnc1-c1ccc(Cl)cc1 9584249 TWUZMKAWWKFPNX-UHFFFAOYSA-N 430.961 3.962 0 40 IHAB CC(C)c1ccc([C@H](NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C(C)C)cc1 9703560 JOPYEOVCRZGPID-HSZRJFAPSA-N 444.597 3.958 0 40 IHAB COc1cccc(-n2c(=O)c3ccccc3n3c(SC[C@@H](O)c4ccccc4)nnc23)c1 9742940 OHJABSPNRPILKJ-OAQYLSRUSA-N 444.516 3.868 0 40 IHAB O=C(Oc1ccc2c(C(F)(F)F)cc(=O)oc2c1)c1ccc(N2C(=O)CCC2=O)cc1 9959172 SZUJPCULPMWKKT-UHFFFAOYSA-N 431.322 3.684 0 40 IHAB O=C(OCc1ccccc1Cl)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 10025545 CESZRNOMHNQPEA-UHFFFAOYSA-N 439.825 3.756 0 40 IHAB CCOc1ccc(NS(=O)(=O)c2cccs2)c(NS(=O)(=O)c2cccs2)c1 11615795 HUXKDQKYQMTBHP-UHFFFAOYSA-N 444.581 3.810 0 40 IHAB COc1ccc(C(=O)NCc2ccc(-c3nn4cnnc4s3)cc2)cc1Br 12352253 OVFCFQYNTAZHLZ-UHFFFAOYSA-N 444.314 3.554 0 40 IHAB COc1ccccc1NC(=O)N(CCN1CCCC1)Cc1cc2cccc(C)c2[nH]c1=O 12703848 LCRRWBSRATWTTB-UHFFFAOYSA-N 434.540 3.975 0 40 IHAB COc1ccccc1NC(=O)N(CCN1CCCC1)Cc1cc2ccc(C)cc2[nH]c1=O 12711390 DGGQAIKIDZERAO-UHFFFAOYSA-N 434.540 3.975 0 40 IHAB Cc1ccc(-c2noc(CN3CCN(C(=O)CCC(=O)c4ccc(C)s4)CC3)n2)cc1 12759972 SLMDQMCCXIJYQS-UHFFFAOYSA-N 438.553 3.722 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCSc4ccccc43)CC2)cc1 12772287 PKEGFOUHYONHHN-UHFFFAOYSA-N 430.595 3.925 0 40 IHAB O=C(Nc1nc2c(s1)CCCC2)[C@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 13566776 ULEAOOLTNRQHJM-LJQANCHMSA-N 441.578 3.967 0 40 IHAB O=C(CSc1nnc(N2CCOCC2)n1Cc1ccccc1)c1cc2ccccc2o1 14168428 LBYDBPKFZWAMFE-UHFFFAOYSA-N 434.521 3.884 0 40 IHAB CCc1ccccc1NC(=O)CNC(=O)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(C)C 14189340 NSPWPMUWPRMJMI-MHLWUJJFSA-N 439.600 3.661 0 40 IHAB COc1ccc(-c2cc(C(=O)OCC(=O)N3C[C@H](C)O[C@H](C)C3)c3ccccc3n2)cc1 14361086 AQSIBRHNUHZHTC-CALCHBBNSA-N 434.492 3.703 0 40 IHAB CN(CC(=O)Nc1ccc(F)c(F)c1F)S(=O)(=O)c1cc(Cl)ccc1Cl 16083599 YNRBHSMPHOVYNS-UHFFFAOYSA-N 427.231 3.670 0 40 IHAB Cc1ccc(NC(=O)Cn2nc3ccc(SCc4ccc(Cl)cc4)nn3c2=O)cc1 16843120 SSHQIPUNBSXENW-UHFFFAOYSA-N 439.928 3.784 0 40 IHAB COc1ccc(OC)c(NC(=O)c2ccc(S(=O)(=O)c3ccc(C)c(C)c3)nc2)c1 16845368 LZPGIXCGJYGYDC-UHFFFAOYSA-N 426.494 3.801 0 40 IHAB O=C(O)/C=C/C(=O)Nc1ccc(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1 17096419 QUOGQDKKCBZNRD-CCEZHUSRSA-N 429.428 3.973 0 40 IHAB CC(C)NC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)c2ccnn2C)C1 19449481 LROPUSKFKLBVHU-XMMPIXPASA-N 436.581 3.748 0 40 IHAB CCc1ncc(CN2CCN(CC)C(=O)[C@@H](Cc3ccc(-c4ccncc4)cc3)C2)cn1 19523430 FDDWTZPRMYBWFS-DEOSSOPVSA-N 429.568 3.624 0 40 IHAB O=C(NCc1ccco1)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCC2 19631836 SISLPRPSHIFJOM-QISBLDNZSA-N 440.521 3.611 0 40 IHAB CNc1cc(C(=O)N2CCC([C@@H]3CC=CCN(Cc4cccc(OC)c4)C3=O)CC2)ccn1 19698545 WNHIUGORNQMJHD-QHCPKHFHSA-N 448.567 3.589 0 40 IHAB CCOC(=O)[C@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@H]1c1cccc(Cl)c1 19818392 KGJQSAWEWGQEJS-UXHICEINSA-N 441.915 3.842 0 40 IHAB CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@H]1c1cccnc1 19820099 ZZOAYGHLJOESQT-VXKWHMMOSA-N 426.476 3.747 0 40 IHAB O=C(COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)Nc1cc(F)ccc1F 20020722 QKJAKIBPOJSSDQ-UHFFFAOYSA-N 436.411 3.922 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)cc1 20024473 NDIKHYXHHHNZQT-KRWDZBQOSA-N 448.585 3.544 0 40 IHAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 20245661 USGNDIQHDMXXDW-UHFFFAOYSA-N 435.855 3.854 0 40 IHAB Cc1ccccc1C(=O)NCCC(=O)Nc1ccccc1C(=O)NCCc1ccccc1 21588866 TXZRUGRMFVNKDN-UHFFFAOYSA-N 429.520 3.726 0 40 IHAB Cc1ccc(C(C)C)c(OCc2nnc(S[C@H](C)C(=O)N3CCCCCC3)n2N)c1 21605471 MGWRMQQXWJLWLV-QGZVFWFLSA-N 431.606 3.886 0 40 IHAB CCCOC(=O)c1ccc(NC(=O)CSc2nc(C)c(C)n2C[C@@H]2CCCO2)cc1 22091743 ZMWMMLKOWFEUKA-IBGZPJMESA-N 431.558 3.977 0 40 IHAB Cc1cccn2c(=O)cc(CSc3nnc(N4CCCCC4)n3Cc3ccco3)nc12 22473865 ZIQGRXQIENQPAT-UHFFFAOYSA-N 436.541 3.518 0 40 IHAB CCCn1c(SCc2cc(=O)oc3cc(C)ccc23)nc2cc(S(N)(=O)=O)ccc21 23044170 DGLMIAQDTSHSII-UHFFFAOYSA-N 443.550 3.801 0 40 IHAB CCOC(=O)C1CCN([C@H](c2ccc(Cl)cc2)c2sc3nc(C)nn3c2O)CC1 23156933 OBBQVTBCLLFEJW-MRXNPFEDSA-N 434.949 3.823 0 40 IHAB CCOc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1 25214315 SIORWZOZSNGFEC-SFHVURJKSA-N 432.476 3.773 0 40 IHAB O=C(C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1)N1CCCCCC1 26108856 FXAINLHYPAUPMU-UHFFFAOYSA-N 433.401 3.938 0 40 IHAB CCCCOc1ccc(-c2nc3s/c(=C/c4ccc(OC)cc4OC)c(=O)n3n2)cc1 26779645 JOEHLUBSYUWTBE-DEDYPNTBSA-N 437.521 3.562 0 40 IHAB O=C(Nc1ccc(N2CCCC2)nc1)c1ccccc1C(=O)c1ccc2c(c1)OCCO2 26798154 HCGKHHMJKGLFRK-UHFFFAOYSA-N 429.476 3.936 0 40 IHAB CN1CCc2nc(NC(=O)c3nc(-c4cccs4)n(-c4cccc(F)c4)n3)sc2C1 27989100 DUWOKUNGHHUGBE-UHFFFAOYSA-N 440.529 3.832 0 40 IHAB O=C(Nc1ccccc1C(=O)NCCc1ccccc1)c1cccc(CN2CCOCC2)c1 30753763 ICFBOHBUWSXXPV-UHFFFAOYSA-N 443.547 3.744 0 40 IHAB O=S(=O)(Nc1ccc(S(=O)(=O)C2CCCC2)cc1)c1ccccc1Br 31721746 JTTAXBKEKVQPQF-UHFFFAOYSA-N 444.372 3.966 0 40 IHAB O=C(Cn1ccc2ccc(Br)cc21)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 32124170 QPBBRBIRYSGUNS-SFHVURJKSA-N 440.297 3.697 0 40 IHAB biogenic CCn1c(SCC(=O)Nc2ccc3c(c2)OCCCO3)nnc1-c1ccc(F)cc1 32604185 ZSUQWYLRTNKCAG-UHFFFAOYSA-N 428.489 3.996 0 40 IHAB CCOc1cccc(COC(=O)CCCN2C(=O)c3ccccc3C2=O)c1OC(F)F 32753644 UTUOOXYPGMHBAI-UHFFFAOYSA-N 433.407 3.806 0 40 IHAB COC(=O)c1ccc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3)o2)cc1 35586255 NCOBBZVADWNDFE-UHFFFAOYSA-N 433.873 3.819 0 40 IHAB CS(=O)(=O)N1CC[C@@H](C(=O)Nc2ccccc2C(F)(F)F)Oc2ccc(Cl)cc21 38849833 RSUXRGICLCVMLF-INIZCTEOSA-N 448.850 3.915 0 40 IHAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1 40157365 QTPGZRHNEAWCKQ-XLIONFOSSA-N 448.544 3.610 0 40 IHAB COc1cc(CNC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc(OC)c1OC 44917577 IYEDODZVKHDSGR-UHFFFAOYSA-N 432.948 3.894 0 40 IHAB CC(=O)c1cccc(NC(=O)Cn2cccc(-c3nc(-c4ccc(F)cc4)no3)c2=O)c1 49002421 RTEVCGRAFLUNMW-UHFFFAOYSA-N 432.411 3.546 0 40 IHAB COC(=O)Cn1c2c(sc1=O)[C@@H](c1ccc(F)c(F)c1)CC(=O)N2c1ccccc1 49543835 SDPSZWOEOUYSDU-CQSZACIVSA-N 430.432 3.561 0 40 IHAB O=c1c2ccccc2nc2n1CC/C2=C/N1CCN(c2cccc(C(F)(F)F)c2)CC1 49581397 ZSVVFKVTZSUZOX-NXVVXOECSA-N 426.442 3.982 0 40 IHAB CC(C)(C)OCc1cccc(CNC(=O)C(=O)Nc2ccnn2Cc2cccs2)c1 72309197 VNIKMSSVEYPXMK-UHFFFAOYSA-N 426.542 3.563 0 40 IHAB O=C1[C@@H]2[C@H](C(=O)N1c1cccc(C(F)(F)F)c1)[C@@H](c1ccc(Cl)cc1)N1CCCN21 101203836 YOZPXADXKLIWKS-KURKYZTESA-N 435.833 3.894 0 40 IHAB CC(=O)c1ccc(N2CCN([C@@H]3CC(=O)N(c4cc(Cl)ccc4Cl)C3=O)CC2)cc1 215725816 SJIQNFYXPIXLGL-HXUWFJFHSA-N 446.334 3.650 0 40 IHAB COc1cccc(-c2noc(CN(C)C(=O)C3CCN(Cc4ccccc4F)CC3)n2)c1 219424686 UIQOIPQMNZXKCY-UHFFFAOYSA-N 438.503 3.755 0 40 IHAB CCCNS(=O)(=O)c1ccc(OCC(=O)NCc2cccc3ccccc23)c(C)c1 222789839 PQIZXBIQKNJEQK-UHFFFAOYSA-N 426.538 3.532 0 40 IHAB COc1ccc(N(C)C(=O)c2ccc(OC)c(S(=O)(=O)N3CCCCCC3)c2)cc1 222927303 NHEATAPWOJQRGV-UHFFFAOYSA-N 432.542 3.545 0 40 IHAB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(N(C)C)cc1 223063737 GPYYAEXIBBRPLK-GOTSBHOMSA-N 435.597 3.947 0 40 IHAB CC[C@H](C(=O)NCCOc1cc(C)ccc1C)N(c1ccc(Cl)cc1)S(C)(=O)=O 224018369 XYBVYLICDIPPOB-LJQANCHMSA-N 438.977 3.697 0 40 IHAB Cc1cc(C)cc(OCCNC(=O)c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)c1 224098445 LVPOVUCTZUQHRA-UHFFFAOYSA-N 430.570 3.533 0 40 IHAB Cc1ccc(OCCNC(=O)COc2ccc(I)cc2)cc1Cl 224171970 KHEXEDODPDOGMF-UHFFFAOYSA-N 445.684 3.827 0 40 IHAB COc1ccc(SCCCNC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1 224386938 PKEDZWXMAFULAA-UHFFFAOYSA-N 434.583 3.537 0 40 IHAB CS(=O)(=O)N(CC(=O)N[C@@H]1CC2(CCCCC2)Oc2ccccc21)Cc1ccccc1 224548522 FAHQBKRIPYJPHB-OAQYLSRUSA-N 442.581 3.791 0 40 IHAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@H](CC)c1ccc(OC)cc1 225557716 KTIUAFCNPIFLQN-NHCUHLMSSA-N 434.558 3.516 0 40 IHAB O=C(NCC(F)(F)F)c1cc(C2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)n[nH]1 225563035 DOUNYNSUAMJDMI-UHFFFAOYSA-N 445.445 3.512 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)N(C)c2ccc(F)cc2)Cc2ccccc2)cc1 225999107 OUJKGNPQERIVSK-UHFFFAOYSA-N 426.513 3.988 0 40 IHAB CC(=O)N[C@]1(C)C[C@H](c2ccc(OCCN3CCCC3=O)cc2)O[C@@H]2C[C@H](C)CC[C@H]21 257232624 GLRKMRKCPRFSLT-ASNHTKRHSA-N 428.573 3.849 0 40 IHAB O=C(CN1CC[C@@]2(CCCN2Cc2ccccc2)[C@@H](O)C1)Nc1cccc(C(F)(F)F)c1 257240899 HVQPDJSQFKOXRF-GMAHTHKFSA-N 447.501 3.745 0 40 IHAB COc1ccc2c(c1)[C@H]1OCC3(CCN(C(=O)c4cn(C)cn4)CC3)C[C@@H]1C(C)(C)O2 257273535 NGZZVYHRDJVVSU-GHTZIAJQSA-N 425.529 3.600 0 40 IHAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NCCCn3ccnc3)ccc2Cl)c1 408622907 WUAFINGJZMXMRB-UHFFFAOYSA-N 446.960 3.774 0 40 IHAB CC(C)OC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(Cl)cc2)cc1 408664432 QTQNUSYQKBWWNX-UHFFFAOYSA-N 446.887 3.806 0 40 IHAB CCc1ccc(-c2ccc(CCC(=O)O)n2NC(=O)C[C@@H]2Oc3ccccc3NC2=O)cc1 408973112 YZUCTUVAKRFKAD-QFIPXVFZSA-N 447.491 3.595 0 40 IHAB CC[C@@H](C)N1C(=O)S/C(=C/c2cc(Br)c(OCC(=O)O)c(OC)c2)C1=O 409009323 DEZIOVPJAKWGRV-MRACZJACSA-N 444.303 3.756 0 40 IHAB COc1cc2c(cc1/C=C1/SC(=O)N(CC(=O)Nc3c(C)cccc3C)C1=O)OCO2 409089949 PIJGKTFMVCVHNL-QGMBQPNBSA-N 440.477 3.716 0 40 IHAB COC(=O)c1cc(NC(=O)CSc2nnc(Cc3ccccc3)n2C)ccc1Cl 409208109 AYRGNKKAEFFAAC-UHFFFAOYSA-N 430.917 3.577 0 40 IHAB Cc1ccc(CC(=O)N2CCC(Cc3ccccc3-c3cccnc3)(C(N)=O)CC2)cc1 585166188 RJHYLMCVODRUBH-UHFFFAOYSA-N 427.548 3.936 0 40 IHAB O=C(Nc1ccc2nccnc2c1)[C@H]1CN(C(=O)c2ccccc2-c2ccccc2)CCO1 585261750 FTOXIOGQMHHOLS-XMMPIXPASA-N 438.487 3.777 0 40 IHAB O=C1c2ccccc2OCCN(C(=O)C2CCCCC2)CCCCC2(CO)CCN1CC2 643575651 WWYOYRCNGCICMY-UHFFFAOYSA-N 442.600 3.873 0 40 IHAB COC(=O)c1c(NC(=O)Cc2ccc(OC)cc2)sc(C(=O)N2CCCCC2)c1C 871962 HIYYMNVPUSPGBL-UHFFFAOYSA-N 430.526 3.659 0 40 IHAB Cc1cccc2cc(CN(CCCN3CCOCC3)C(=O)Nc3ccccc3)c(=O)[nH]c12 880320 MVPJSTIELPCPKU-UHFFFAOYSA-N 434.540 3.593 0 40 IHAB COc1cc2nc(-c3cccs3)n(NC(=O)c3ccc(F)c(F)c3)c(=O)c2cc1OC 1365099 PNKCMSQLUSFXJC-UHFFFAOYSA-N 443.431 3.804 0 40 IHAB COc1ccc(NC(=O)CSc2nnc(-c3cccc(OC(C)C)c3)n2N)cc1Cl 2263946 KPIOZEJMNQDWBX-UHFFFAOYSA-N 447.948 3.839 0 40 IHAB CCOc1ccccc1-n1nnnc1SCC(=O)Nc1ccc(Br)c(C)c1 3497055 DXFJEYZIVADARX-UHFFFAOYSA-N 448.346 3.863 0 40 IHAB CCSc1nnc([C@H]2CCCN2CC(=O)N2CCC(Cc3ccccc3)CC2)n1C 5001620 CRXHMQLWUXSJOT-HXUWFJFHSA-N 427.618 3.545 0 40 IHAB CCOC(=O)[C@@H](C)Sc1nnc(Cn2c(=O)sc3ccccc32)n1-c1ccccc1 6577301 OFMNHUBFONWQLL-CQSZACIVSA-N 440.550 3.736 0 40 IHAB O=C(CCNC(=O)c1ccc(Cl)cc1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 8879029 KRPJYRWTTXHFDH-UHFFFAOYSA-N 437.809 3.698 0 40 IHAB CS(=O)(=O)N1CCCc2cc(C(=O)CSc3nnc(-c4ccc(F)cc4)o3)ccc21 8944021 ZLWRJDACNFKOKD-UHFFFAOYSA-N 447.513 3.563 0 40 IHAB Cc1ccc(C)c(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2c(F)cccc2Cl)c1 8985763 VMLFEAXRXALYGS-UHFFFAOYSA-N 442.878 3.684 0 40 IHAB Cc1nc(N2CCN(c3ccc(F)cc3)CC2)nc2c1C(=O)C[C@H](c1ccccc1O)C2 8990490 IHZZXHYFQVOWGJ-QGZVFWFLSA-N 432.499 3.869 0 40 IHAB CCn1c(CN2CCCCCC2=O)nnc1S[C@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C 9216817 MGMVZSQPLDYCAT-MRXNPFEDSA-N 445.589 3.712 0 40 IHAB Cc1cccc(-n2c(SCC(=O)N3CCOCC3)nnc2-c2ccccc2Cl)c1 9218060 XXGJTIAFDKECCM-UHFFFAOYSA-N 428.945 3.847 0 40 IHAB Cc1ccccc1-n1c(SCc2ccc(-n3cccn3)cc2)nnc1N1CCOCC1 9336661 ZRYNULXZAKLRHV-UHFFFAOYSA-N 432.553 3.890 0 40 IHAB Cc1ccc(NC(=O)CSc2nnc(NC(=O)COc3ccccc3)s2)c(C)c1 9365133 QWTNCYJGJHZZCD-UHFFFAOYSA-N 428.539 3.903 0 40 IHAB CCCCn1c(CNC(=O)C23CC4CC(CC(C4)C2)C3)nnc1S[C@H](C)C(=O)OCC 9390939 FNMMYTXDCLVOFZ-LRYXAPPNSA-N 448.633 3.955 0 40 IHAB O=C(Nc1ccc(-c2ccccc2)cc1)[C@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 9446446 LXTZMBHULULCJO-OAQYLSRUSA-N 431.517 3.906 0 40 IHAB CCSc1nnc(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2)s1 9517622 PESPZHREMVHXJH-UHFFFAOYSA-N 429.556 3.510 0 40 IHAB Cc1cc(=O)oc(C)c1C(=O)OCc1ccc(COC(=O)c2c(C)cc(=O)oc2C)cc1 9670301 GODPKZJVVKAAOX-UHFFFAOYSA-N 438.432 3.541 0 40 IHAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4ncsc4c3)cc2)n1 10381915 GQQWZJHETMMBPM-UHFFFAOYSA-N 439.522 3.756 0 40 IHAB CCC(=O)c1ccc(OCC(=O)OCc2cc3c(cc2Br)OCCO3)cc1 11406843 IVHPYOPDJMNLKZ-UHFFFAOYSA-N 435.270 3.935 0 40 IHAB COc1cc(NC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)ccc1N1CCCC1=O 11447196 YGIKADBNDQXRNA-UHFFFAOYSA-N 430.888 3.818 0 40 IHAB Clc1ccc(CSc2nnc(N3CCOCC3)n2C[C@@H]2CCCO2)cc1Cl 11760341 APGSWSJWYULMFZ-AWEZNQCLSA-N 429.373 3.893 0 40 IHAB Cc1cc(C)n(C[C@H](C)C(=O)N2CCC[C@H](n3nnc4cc(C(F)(F)F)ccc43)C2)n1 12184963 WFOKRNACKKQKFU-GUYCJALGSA-N 434.466 3.763 0 40 IHAB Cc1ccc(N2C[C@H](NC(=O)N3CCn4cccc4[C@H]3c3ccccc3F)CC2=O)cc1 12361885 KWTOAWSCGSSQQM-HOYKHHGWSA-N 432.499 3.856 0 40 IHAB CCOC(=O)c1sc(-c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)c1cnccn1 12735576 ZUDIVXFCAUKBFF-UHFFFAOYSA-N 443.481 3.660 0 40 IHAB CC(=O)c1cccc(NC(=O)[C@H](Sc2nnnn2C[C@@H]2CCCO2)c2ccccc2)c1 12751134 RARQPVVAFYQHTC-VQTJNVASSA-N 437.525 3.527 0 40 IHAB Cc1cccc(NC(=O)CN(C)C(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)c1C 12814604 GAYSTQXTRBNOOD-UHFFFAOYSA-N 443.494 3.531 0 40 IHAB CCC(C)(C)NC(=O)[C@H](c1ccc(C)cc1)N(C[C@@H]1CCCO1)C(=O)c1csnn1 12874357 HAXKFRIFUGAYKV-HKUYNNGSSA-N 430.574 3.514 0 40 IHAB Cc1ccc(CSCCNC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1 12937619 ZNPCGQBXCIRQKQ-UHFFFAOYSA-N 444.578 3.730 0 40 IHAB COc1ccc(NC(=O)CCOc2ccccc2C)cc1S(=O)(=O)N1CCCCC1 13019522 YKMJWBYBWNBKQP-UHFFFAOYSA-N 432.542 3.586 0 40 IHAB O=C(NC12CC3CC(CC(C3)C1)C2)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 13680361 WFKFYNLGVMBCMM-UHFFFAOYSA-N 444.641 3.746 0 40 IHAB CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)Nc1ccc(I)cc1 14217231 OWMIHRRHMRDGJX-MRXNPFEDSA-N 428.314 3.951 0 40 IHAB CS(=O)(=O)N1CCc2cc(C(=O)N3CCC[C@@H](c4nc5ccccc5s4)C3)ccc21 15020714 XUNUYWWGGQUTEH-QGZVFWFLSA-N 441.578 3.638 0 40 IHAB COc1ccccc1NC(=O)Cn1c(C)cc(C)c(-c2nc(-c3ccccc3)no2)c1=O 16839978 WHZCSIYYDPLJQP-UHFFFAOYSA-N 430.464 3.829 0 40 IHAB COc1ccc(C(=O)Nc2ccc(-n3c(C)nc4ncccc4c3=O)cc2C)c(OC)c1 17011230 QPJCJGKPNQRCRX-UHFFFAOYSA-N 430.464 3.667 0 40 IHAB CN(C(=O)c1ccccc1C(=O)OCC(=O)Nc1cccc2nsnc12)c1ccccc1 19077690 UKMSNLPPVPTZOB-UHFFFAOYSA-N 446.488 3.763 0 40 IHAB O=C(c1cccc2ccccc12)[C@@H]([C@@H](c1ccccc1)N1CCOCC1)N1CCOCC1 19366037 NYOGKFRLXNPOAH-CLJLJLNGSA-N 430.548 3.797 0 40 IHAB COc1ccc(CCC(=O)N2CC[C@](Cc3ccccc3-c3ccncc3)(C(N)=O)C2)cc1 19554466 NLHRXEGKTMYSAH-HHHXNRCGSA-N 443.547 3.637 0 40 IHAB CN1CCC(c2nc(O)cc([C@H]3CCCN(C(=O)c4cccc5ncccc45)C3)n2)CC1 19588212 QTYPRCQZISCZQM-SFHVURJKSA-N 431.540 3.559 0 40 IHAB NC(=O)c1cccc(-c2ccc([C@H]3CCCN(CC(=O)Nc4ccc(F)cc4)C3)nc2)c1 19688631 YAHRFAQIQWBWTH-FQEVSTJZSA-N 432.499 3.805 0 40 IHAB CCCOC1CCN(C(=O)[C@]2(Cc3cc(-c4ccccc4)no3)CCN(C(C)=O)C2)CC1 19703508 PARWCCCSBOTJMB-VWLOTQADSA-N 439.556 3.540 0 40 IHAB CNc1nc(C2CCN(C)CC2)nc2c1CCN(C(=O)CCCc1ccc(F)c(C)c1)C2 19710691 RYOKOLWTYMGMLE-UHFFFAOYSA-N 439.579 3.683 0 40 IHAB Cc1nc([C@H]2CCCN(C(=O)COc3ccccc3)C2)ncc1C(=O)Nc1ccccc1 19751924 KFEVEBFLIYVASR-IBGZPJMESA-N 430.508 3.822 0 40 IHAB COc1cccc(Cn2nccc2NC(=O)CCc2c(C)nc(SC)nc2C)c1OC 21677904 JRPNSECEQDEASA-UHFFFAOYSA-N 441.557 3.649 0 40 IHAB Cc1ccc(Cc2cnc(NC(=O)CN3C(=O)c4ccccc4C3=O)s2)cc1Cl 22866442 CNTDXXDRGUSNSC-UHFFFAOYSA-N 425.897 3.930 0 40 IHAB CCOc1ccc(NC(=O)C(=O)NC[C@@H](c2ccco2)N2CCc3ccccc3C2)cc1 22907527 WMZHQTVJDDOBMV-QFIPXVFZSA-N 433.508 3.533 0 40 IHAB COc1ccc([C@@H](CNC(=O)c2ccc(COc3ccccc3)o2)N2CCOCC2)cc1 23873368 XBQZHYXYPYQPGO-HSZRJFAPSA-N 436.508 3.671 0 40 IHAB CCN1CCN(c2ccc(NC(=O)C3CCN(C(=O)c4ccccc4C)CC3)cc2C)CC1 24774372 IIGHQYUNKZVPRV-UHFFFAOYSA-N 448.611 3.936 0 40 IHAB O=C(CCC(=O)N1CCN(c2ccc(F)cc2)CC1)Nc1nc2ccc(F)cc2s1 27913504 DLUFWILAJXFYHE-UHFFFAOYSA-N 430.480 3.642 0 40 IHAB CC(C)(C)c1ccc(SCc2nn(CN3CCOCC3)c(=O)n2-c2ccccc2)cc1 28527436 HRWDLLGFQVGHMH-UHFFFAOYSA-N 438.597 3.914 0 40 IHAB COc1ccc(C[C@H](NC(=O)c2cc3c([nH]c2=O)CCCC3=O)c2ccc(OC)cc2)cc1 29975374 BZCBTHTZKNKOTG-QHCPKHFHSA-N 446.503 3.625 0 40 IHAB CCN(CC(=O)Nc1ccnn1Cc1cccc(Cl)c1)C[C@@H]1COc2ccccc2O1 31174651 QGJOVGVZYUYYPQ-LJQANCHMSA-N 440.931 3.685 0 40 IHAB C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl)CS2 32810824 DZCVXGGNTWYKIO-ACJLOTCBSA-N 425.341 3.631 0 40 IHAB Cc1cc(N2CCCC2)ccc1NC(=O)c1ccccc1SC[C@]1(C)NC(=O)NC1=O 32820588 JGWDIKSFKXHBHK-QHCPKHFHSA-N 438.553 3.538 0 40 IHAB COc1ccccc1C(=O)NC(=O)COC(=O)CCCSc1nc2ccccc2s1 32910559 HQLUURFWWOUXRF-UHFFFAOYSA-N 444.534 3.677 0 40 IHAB COc1ccc(C(=O)N2CCC(CN3C(=O)c4cccc5cccc(c45)C3=O)CC2)cc1 33532212 NDZYQAINJIDTSL-UHFFFAOYSA-N 428.488 3.997 0 40 IHAB CCOc1c(I)cc(C(=O)Nc2ccc(OC)cc2)cc1OC 33765992 OYSBXCQLTGGLKZ-UHFFFAOYSA-N 427.238 3.959 0 40 IHAB CCOC(=O)C1=C(CN2CCc3sccc3[C@H]2c2ccccc2)NC(=O)N[C@H]1CC 36420514 MVCPUTXYWLBWHP-LAUBAEHRSA-N 425.554 3.604 0 40 IHAB Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3ccc([C@@]4(C)NC(=O)NC4=O)cc3)c12 36753000 UXXXQFGVDDGLCD-XMMPIXPASA-N 441.447 3.505 0 40 IHAB CC1CCC(NC(=O)COC(=O)[C@H]2CCCC[C@@H]2C(=O)N2CCc3ccccc32)CC1 39639710 KSJOLOPKRGCWDJ-BOWFFMLLSA-N 426.557 3.620 0 40 IHAB CN1CCN(c2ccc(C(F)(F)F)cc2NC(=O)CCc2ccc3c(c2)OCO3)CC1 40017342 QBIOJNBKSYKAIH-UHFFFAOYSA-N 435.446 3.757 0 40 IHAB CCOc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1cccc(OC)c1OC 40485036 NLCVWRNHKMXUHX-HXUWFJFHSA-N 435.484 3.622 0 40 IHAB C[C@H]1Cc2ccccc2N1C(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 44899867 ZNZGLZOLARZZBT-INIZCTEOSA-N 432.973 3.860 0 40 IHAB O=C([C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 46896378 UGGBCGVFQRHIKT-KGLIPLIRSA-N 438.899 3.542 0 40 IHAB c1ccc(N2CCN(Cc3ccccc3CNc3cncc(-n4cccn4)n3)CC2)cc1 48300525 MPLSFCLYBJNNOU-UHFFFAOYSA-N 425.540 3.597 0 40 IHAB CCN(CC)C(=O)c1cnc(C)nc1-c1ccc(CNC(=O)c2cc(C(C)C)n[nH]2)cc1 57774250 HLVNBIMVQXRMDL-UHFFFAOYSA-N 434.544 3.711 0 40 IHAB CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCN1C(=O)c1ccc(-n2cccn2)nc1 72370327 VBYNKSOJQAZLAF-KRWDZBQOSA-N 445.548 3.689 0 40 IHAB O=C(Cn1cc(-c2nc(-c3cccs3)no2)ccc1=O)NCCc1ccc(Cl)cc1 77199961 DOGOWQJMPIDETI-UHFFFAOYSA-N 440.912 3.639 0 40 IHAB COc1ccc(NC(=O)c2nnc(CN3CCC[C@@H]3CC(=O)c3ccco3)s2)cc1 83949952 TTZGQUZYFJHRJE-OAHLLOKOSA-N 426.498 3.629 0 40 IHAB Cc1ccc(C)c(OCCC(=O)N2CCC[C@H](CNC(=O)c3ccncc3Cl)C2)c1 95973385 LUTKTVVYULYOIT-GOSISDBHSA-N 429.948 3.789 0 40 IHAB Cc1ccc(C)c(OCCCCC(=O)N2CCN3C(=O)N(c4ccccc4)C(=O)[C@H]3C2)c1 96008720 XFMAVSGPSSESAK-OAQYLSRUSA-N 435.524 3.532 0 40 IHAB CC(C)C(=O)N1CCc2nc3cc([C@H]4CCCCN4Cc4ccccc4)nn3c(O)c2C1 100243177 MTIUOTKUJVFPFI-JOCHJYFZSA-N 433.556 3.703 0 40 IHAB CC[C@H](C(=O)NCCCN(C)c1ccccc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 219110185 JQYCUCIBNMXQKP-HXUWFJFHSA-N 437.993 3.527 0 40 IHAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1ccc(F)cc1 222538314 QEIRIJFMSZXWTE-QHCPKHFHSA-N 438.474 3.730 0 40 IHAB Cc1cccc(CSCCNC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)c1 222566803 ZBYBQBTWYQXHCR-UHFFFAOYSA-N 432.611 3.897 0 40 IHAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(F)cc1 223672051 OICIPFAMTQBIEF-NRFANRHFSA-N 430.520 3.935 0 40 IHAB COc1ccc(OC)c(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3F)c2)c1 224152883 LRJUTRKYMYGOFZ-UHFFFAOYSA-N 444.484 3.920 0 40 IHAB COCc1cccc(NC(=O)CCCN(c2cc(Cl)ccc2OC)S(C)(=O)=O)c1 224761058 WVSRJLFMZZYDIA-UHFFFAOYSA-N 440.949 3.680 0 40 IHAB CCn1c(=O)sc2cc(S(=O)(=O)Nc3ccc4c(c3)sc(=O)n4C(C)C)ccc21 225183698 LDRGAZYEVWFHCW-UHFFFAOYSA-N 449.579 3.841 0 40 IHAB CCc1cc(Br)cc(CC)c1NC(=O)C1CCN(S(=O)(=O)CC)CC1 226046357 UXFJMDVOLZXVEY-UHFFFAOYSA-N 431.396 3.574 0 40 IHAB Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCN(S(=O)(=O)c3cnn(C)c3C)C2)n1 257287341 PPNDBFGJWWAWEW-GOSISDBHSA-N 428.533 3.806 0 40 IHAB Cc1cc(NC(=O)COC(=O)CCC(=O)NCc2ccccc2)cc(C)c1Br 408670250 YYLNAFJVMDBAFU-UHFFFAOYSA-N 447.329 3.644 0 40 IHAB CCOc1ccccc1NC(=O)c1ccc(OC)c(S(=O)(=O)NC2CCCCC2)c1 408678607 TZFSIJHFZMQGLF-UHFFFAOYSA-N 432.542 3.957 0 40 IHAB CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc4c(c3)OCO4)C2=O)c1 409159066 PWVXFWNTICIYGE-CAOOACKPSA-N 428.491 3.812 0 40 IHAB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cccc(OC)c2OC(C)C)C1=O 409236043 FDKVIHHQGJUJMH-CPNJWEJPSA-N 437.496 3.576 0 40 IHAB CCOC(=O)CSc1nnc(NC(=O)[C@H](C)Oc2ccccc2C(F)(F)F)s1 608895686 FBPZXJIHQXKRFR-VIFPVBQESA-N 435.449 3.618 0 40 IHAB COc1ccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)C[C@H]2CCCO2)cc1OC 790296 RNWCUOABXSZSSO-HXUWFJFHSA-N 436.508 3.675 0 40 IHAB O=C(Cn1nnc2sc(-c3ccccc3)cc2c1=O)Nc1ccc(Br)cc1 1320998 BAPJLUZSCSLPNU-UHFFFAOYSA-N 441.310 3.921 0 40 IHAB Cc1ccc2c(c1)cc(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)c1nnnn12 1377011 MYDQDNLRMVTWHJ-UHFFFAOYSA-N 433.493 3.570 0 40 IHAB CCOCCCNC(=O)c1c(N)n(-c2cc(C)ccc2OC)c2nc3ccccc3nc12 2389186 HRGKFVNIIPPGQU-UHFFFAOYSA-N 433.512 3.629 0 40 IHAB Cc1ccc(Nc2nnc(SCC(=O)N[C@H](Cc3ccccc3)C(=O)O)s2)c(C)c1 3291103 PENWNSVIASGGTJ-QGZVFWFLSA-N 442.566 3.803 0 40 IHAB CCc1ccc(N2C[C@H](C(=O)Nc3ccccc3I)CC2=O)cc1 6843665 JBKJXFWPHMJDJY-CQSZACIVSA-N 434.277 3.845 0 40 IHAB COc1ccc(CNC(=O)COc2ccc(N(C)C(=O)c3ccc(C)cc3)cc2)cc1OC 8727877 ZMLWXFMVRJMDHP-UHFFFAOYSA-N 448.519 3.984 0 40 IHAB O=C(Nc1nc(-c2cccs2)cs1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 8895569 AATYVJNCGZTESZ-OAHLLOKOSA-N 437.543 3.803 0 40 IHAB CC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)nc(CCn2nc(C)cc2C)n3C)cc1 9059526 SDNUXPMWFXZCSV-UHFFFAOYSA-N 430.512 3.840 0 40 IHAB COc1ccc([C@H]2N(C(=O)c3ccccc3)CCCN2S(=O)(=O)c2ccccc2)cc1 9095057 NZLQYGQDJBKGAW-QHCPKHFHSA-N 436.533 3.931 0 40 IHAB Cc1ccc(N2C(=O)N(CC(=O)N3N=C(c4ccco4)C[C@@H]3c3ccco3)C(=O)[C@@H]2C)cc1 9349526 VIKGNFMVZQJDLN-QFBILLFUSA-N 446.463 3.716 0 40 IHAB Cc1ccc(NC(=O)CSc2nnc(-c3cc(-c4ccccc4)n[nH]3)n2N)cc1Cl 9510608 SBIUSYQUIQYFGA-UHFFFAOYSA-N 439.932 3.742 0 40 IHAB O=C(COC(=O)CCC(=O)c1ccc2c(c1)OCCCO2)N[C@H]1CCCc2ccccc21 9577686 ZQMBMPBUWSDCJL-FQEVSTJZSA-N 437.492 3.548 0 40 IHAB CCCn1cc(C(=O)Nc2ccc(NC(C)=O)cc2)c2nn(-c3ccccc3)c(=O)c-2c1 9661549 WACAIYMWSUUAMH-UHFFFAOYSA-N 429.480 3.760 0 40 IHAB C[C@@H](NC(=O)COc1ccccc1C(=O)NCc1ccccc1)c1ccc2c(c1)OCCO2 9788970 UDCOWOSPXOFHQX-GOSISDBHSA-N 446.503 3.644 0 40 IHAB O=C(CSc1nnc([C@H]2COc3ccccc3O2)o1)c1ccc(N2CCCC2=O)cc1 9954749 XYSLQYPIGOUQPY-LJQANCHMSA-N 437.477 3.684 0 40 IHAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(C(C)C)cc3)C2)c1 10059470 VRZILIXLONLTLB-SFHVURJKSA-N 446.569 3.867 0 40 IHAB C[C@@H](C(=O)NCCSCc1ccccc1F)N(c1ccc(Cl)cc1)S(C)(=O)=O 10281444 MSLUKYFTFPNZOL-AWEZNQCLSA-N 444.981 3.683 0 40 IHAB O=C(Nc1ccc(N2CCCC2)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 10429147 NYKBLESVRCNYCO-UHFFFAOYSA-N 447.988 3.980 0 40 IHAB CCN(CC)CCn1c(NC(=O)c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 10653108 HSCIOJUMQGNFQX-UHFFFAOYSA-N 426.517 3.656 0 40 IHAB CC(C)n1ncc2c(C(=O)N3CCC(NC(=O)c4ccccc4)CC3)cc(C3CC3)nc21 10781446 GVIWKMHWTREJKS-UHFFFAOYSA-N 431.540 3.924 0 40 IHAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 10905079 CHHVEQTWTIULGA-FQEVSTJZSA-N 426.561 3.812 0 40 IHAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)[C@@H](C)Oc1ccc(OC)cc1 11653245 XWFJFIITYRLFRN-QGZVFWFLSA-N 444.528 3.735 0 40 IHAB COc1cccc2c(NC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)cc(C)nc12 12321816 SVXMSWSTHQCYIE-UHFFFAOYSA-N 425.510 3.589 0 40 IHAB CCN(C(=O)COC(=O)c1ccccc1SCC(=O)N1CCCC1)c1ccccc1 12549344 IOWAGPDHQCXWAN-UHFFFAOYSA-N 426.538 3.611 0 40 IHAB CCCn1c(CNC23CC4CC(CC(C4)C2)C3)nc2cc(S(=O)(=O)N(C)C)ccc21 12568521 KHMFEDSLNLRCNA-UHFFFAOYSA-N 430.618 3.755 0 40 IHAB CC(=O)c1cccc(OC[C@@H](O)Cn2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1 12782592 YUWUQWQQZIAIKY-FQEVSTJZSA-N 432.451 3.845 0 40 IHAB O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1ccc(OC[C@H]2CCCO2)cc1 13109570 JLSHVZAYMKMYAP-LJQANCHMSA-N 439.537 3.943 0 40 IHAB COc1cccc(N2CCN([C@@H](c3ccccc3)c3nnnn3Cc3cccs3)CC2)c1 13505232 XYACORUAWDUYJA-QHCPKHFHSA-N 446.580 3.703 0 40 IHAB CCOc1cc(/C=C2/N=C(c3ccccc3F)OC2=O)cc(Cl)c1OCC(=O)OC 13564651 GQEDOAYYVGGVOW-CXUHLZMHSA-N 433.819 3.774 0 40 IHAB CCOC(=O)c1cc(Cl)c(OCc2cccc(S(=O)(=O)N(C)C)c2)c(Cl)c1 14568641 LZFSQIJHIWXTJH-UHFFFAOYSA-N 432.325 3.999 0 40 IHAB COc1ccc(CCC2CCN(CC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])CC2)cc1 15480099 AZFKQQJQCCHJRG-UHFFFAOYSA-N 427.501 3.895 0 40 IHAB COC(=O)Cc1ccc(NC(=S)N2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)cc1 15890180 HTFIDJSGQLUDQV-LNGMVNIQSA-N 439.625 3.994 0 40 IHAB biogenic COc1ccc(-c2nc(C)c(CCNC(=O)C(=O)Nc3ccc(F)cc3)s2)cc1OC 16991898 UKYOSJCQWBVHAB-UHFFFAOYSA-N 443.500 3.572 0 40 IHAB CC(=O)Nc1cccc(NC(=O)CSc2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)c1 17208166 JQHMGCOGSYLLNF-NSHDSACASA-N 442.566 3.799 0 40 IHAB CCCn1ccc(C(=O)N2CC[C@](Cc3cccc(-c4ccccc4)c3)(C(=O)NC)C2)n1 19526106 SKAMAAQSMVYMRT-AREMUKBSSA-N 430.552 3.781 0 40 IHAB CCNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)c2ccccn2)C1 19528647 HPSVKAODIJFMEZ-SANMLTNESA-N 428.536 3.745 0 40 IHAB CN(C)C(=O)C1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)C[C@@H]2CCCCO2)CC1 19700325 UHILRSVBANEERT-DEOSSOPVSA-N 449.595 3.947 0 40 IHAB COc1ccc(C(=O)N[C@H](C)c2ccc(SC)cc2)cc1S(=O)(=O)N1CCCC1 20024784 SKZCXTHUIOINOK-OAHLLOKOSA-N 434.583 3.693 0 40 IHAB CC[C@@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccc(OC)cc1 20491015 VLFLURWEJSKVLK-JOCHJYFZSA-N 430.570 3.505 0 40 IHAB CN(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 20492074 NLTDYTZWYLKWNX-UHFFFAOYSA-N 445.766 3.527 0 40 IHAB CCCCN1C(=O)[C@@H](C(=O)OCC)[C@H](c2ccc(O)c(OC)c2)n2c1nc1ccccc12 20675311 WFXBVQPFNPKRNQ-SFTDATJTSA-N 437.496 3.666 0 40 IHAB C[C@H](OC(=O)CCc1nc2ccccc2s1)C(=O)N1CCN(Cc2ccccc2)CC1 22287053 ARNOOCLHKXLISU-SFHVURJKSA-N 437.565 3.505 0 40 IHAB Cc1cc(Cl)ccc1N(CC(=O)NCCCc1ccccc1Cl)S(C)(=O)=O 22336539 WJXQLPGHWIZWBL-UHFFFAOYSA-N 429.369 3.817 0 40 IHAB Cc1ccc2c(CN3C(=O)N[C@](C)(c4ccc5c(c4)OCCCO5)C3=O)cc(=O)oc2c1C 22429267 BTQGVGFJSMVNQX-RUZDIDTESA-N 448.475 3.538 0 40 IHAB C[C@@H](NC(=O)C(=O)NC[C@@H](c1cccs1)N1CCc2ccccc2C1)c1ccccc1 22908298 OWLAWQJLNWHFKW-GCJKJVERSA-N 433.577 3.841 0 40 IHAB O=C(NC1CC1)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2cccc(F)c2)cc1 23075049 XGFSJQPWZXXSRQ-UHFFFAOYSA-N 428.485 3.702 0 40 IHAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1c2c(nn1[C@H]1CCS(=O)(=O)C1)CCC2 23136987 BRPNBPMAQJTIMF-KRWDZBQOSA-N 437.521 3.776 0 40 IHAB Cc1nc(NC[C@@H]([C@H]2CCOC2)N2CCOCC2)c2c(-c3cccs3)csc2n1 24204154 YCCYODKOGVYWTI-RDJZCZTQSA-N 430.599 3.877 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1 24335340 XYDAGUXLPZOGKI-UHFFFAOYSA-N 426.338 3.798 0 40 IHAB O=C(Nc1ccccc1)Nc1ccc(C(=O)OCCN2C(=O)c3ccccc3C2=O)cc1 24939884 JPSARCCLXAVBBX-UHFFFAOYSA-N 429.432 3.784 0 40 IHAB Cc1cccc2c(=O)n(CCC(=O)N3CCC[C@H]3c3ccc4c(c3)OCCCO4)cnc12 27153992 ZRYQZBAKZDPCNS-FQEVSTJZSA-N 433.508 3.620 0 40 IHAB O=C(Cn1nc(C(F)(F)F)c(Br)c1C1CC1)Nc1ccc2c(c1)OCO2 27937058 ZGGKSTMCNPILRP-UHFFFAOYSA-N 432.196 3.909 0 40 IHAB C[C@H](NC(=O)CSc1nnc(COc2ccc(F)cc2)o1)c1ccc2c(c1)OCCO2 32719052 VWQDSVLTVZJMMP-ZDUSSCGKSA-N 445.472 3.528 0 40 IHAB CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)NC[C@@H](c1cccs1)N1CCCC1 32761182 XRHLUPSXIAEYEM-FXAWDEMLSA-N 435.540 3.734 0 40 IHAB CC(C)n1ncc2c(C(=O)Nc3ccc(CN4CCN(C)CC4)cc3)cc(C3CC3)nc21 32915600 YXGGNSNXZMSBFS-UHFFFAOYSA-N 432.572 3.889 0 40 IHAB CC(C)OC(=O)c1ccc(NC(=O)c2cc(-n3cnnc3)ccc2Br)cc1 35684130 QIPTVULNZYDADN-UHFFFAOYSA-N 429.274 3.847 0 40 IHAB Cc1cc(C(=O)N2CCN(Cc3ccccc3)CC2)c2cnn(-c3ccccc3F)c2n1 36617023 BYUPNNCAZMBWAD-UHFFFAOYSA-N 429.499 3.826 0 40 IHAB O=C1C[C@H](C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)CN1c1ccccc1Cl 36636416 CDLUAPYDBPRUJO-WMZOPIPTSA-N 426.900 3.828 0 40 IHAB O=C(Nc1ccc(=O)n(Cc2ccccc2Cl)c1)N(C[C@@H]1CCCO1)C[C@H]1CCCO1 48237061 ZWAJIJKDAXTFEP-BGYRXZFFSA-N 445.947 3.742 0 40 IHAB O=C(Cn1nnc2ccccc21)N(Cc1ccc(Br)cc1)Cc1ccccn1 48332554 JYIPSDAJSMYRFJ-UHFFFAOYSA-N 436.313 3.818 0 40 IHAB Cc1ccc(CNC(=O)Cn2cccc2-c2nc(-c3ccc4c(c3)OCO4)no2)cc1C 57487094 DDUPDFLIIGHION-UHFFFAOYSA-N 430.464 3.867 0 40 IHAB COc1ccc(C)cc1C(=O)CCC(=O)OCc1cc(=O)oc2cc(NC(C)=O)ccc12 57816061 FPGKDFINXDQUKP-UHFFFAOYSA-N 437.448 3.775 0 40 IHAB Cc1ccc(NC(=O)CN2C(=O)N[C@@H](c3cc(C)ccc3C)C3=C2COC3=O)c(Cl)c1 67288739 DVJVNKZCBFSTBP-NRFANRHFSA-N 439.899 3.781 0 40 IHAB CCOc1ccc2nc(NC(=O)CN3C(=O)NC4(CCC(CC)CC4)C3=O)sc2c1 70014864 GKKLLFHSMMZKBM-UHFFFAOYSA-N 430.530 3.524 0 40 IHAB O=S(=O)(c1ccc(F)cc1)N1CCC2(CC1)C[C@@H]2c1nnc(-c2cccc(F)c2)o1 71890427 CWLLCHXZIXGIGR-GOSISDBHSA-N 431.464 3.973 0 40 IHAB CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)NCc1cc(Br)c[nH]1 72311599 GYEHDVOWTVTWFH-NRFANRHFSA-N 442.357 3.930 0 40 IHAB Cc1ccc2cc(C(=O)N3CCC[C@H](c4cc(C(F)(F)F)n5ncnc5n4)C3)[nH]c2c1 72393677 UVOODVKJULZDCC-AWEZNQCLSA-N 428.418 3.953 0 40 IHAB CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)Nc3c(C)c(-c4ccc(OC)cc4)nn32)cc1 90594456 OGJXIQQDAZEHSS-LJQANCHMSA-N 448.479 3.566 0 40 IHAB CCc1ccc(C(=O)N2CCC3(CC2)CN(CC(C)C)C[C@@]32CCN(CC)C2=O)cc1 96144319 NAZDFGZSGJKCLQ-AREMUKBSSA-N 425.617 3.682 0 40 IHAB CC(C)CS(=O)(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 96374787 JDFDCFXNYGQOAR-UHFFFAOYSA-N 447.928 3.583 0 40 IHAB Cc1cc(OCC(=O)NC[C@H]2CC[C@H](c3nnc(-c4cnccn4)o3)CC2)ccc1Cl 100156133 ODHUOJDKILHKLL-IYBDPMFKSA-N 441.919 3.957 0 40 IHAB Cc1ccc2c(c1)[C@@H](NC(=O)CCCN(C)S(=O)(=O)c1ccccc1)CC(C)(C)O2 219727182 KWZYCYBXEGDORP-FQEVSTJZSA-N 430.570 3.814 0 40 IHAB CCc1ccc(N([C@@H](C)C(=O)Nc2ccccc2C(=O)N[C@@H](C)CC)S(C)(=O)=O)cc1 220274424 FXCFYLGTDKWQKR-IRXDYDNUSA-N 445.585 3.571 0 40 IHAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc2c(c1)OCO2 222726437 ZFUXYDMLXWICFX-CYBMUJFWSA-N 437.323 3.818 0 40 IHAB COc1cccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2)c1 223756919 OTJQEWXXLNSNNB-UHFFFAOYSA-N 446.550 3.914 0 40 IHAB CSc1ccc(S(=O)(=O)N(C)Cc2cccc(F)c2)cc1C(=O)N1CCCCC1 223891936 PMRYVXJVLGKRNI-UHFFFAOYSA-N 436.574 3.994 0 40 IHAB COc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(F)cc3)c2)c(OC)c1 224167698 RNRQBWPVJRZBCR-UHFFFAOYSA-N 444.484 3.920 0 40 IHAB O=C(/C=C/c1ccc(Cl)cc1)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1 224354689 QXPRBZRZMJSODL-AWNIVKPZSA-N 448.972 3.723 0 40 IHAB O=C(NCCc1ccc(Cl)cc1)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 224384309 AQYFPRLYLCTZOK-OAQYLSRUSA-N 449.016 3.673 0 40 IHAB CCOC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(OC)c(C)c1 224636914 BUQBYAYQCMKVSP-UHFFFAOYSA-N 442.331 3.525 0 40 IHAB CN(c1cccc(NC(=S)NCCSCc2ccc(Cl)cc2)c1)S(C)(=O)=O 225302885 BROJHIKJINKTDX-UHFFFAOYSA-N 444.047 3.956 0 40 IHAB CC[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccc(OC)c(C)c1 225609139 VBAOYPHMPDAOSA-QFIPXVFZSA-N 444.597 3.813 0 40 IHAB Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@H](Oc2ncccc2Br)C1 238870677 MUZVOCMHYKPLLY-LBPRGKRZSA-N 431.739 3.648 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(N4CCCC4)cc3)C2)cc1 260895217 JCBNCONADSMAQQ-IBGZPJMESA-N 427.570 3.635 0 40 IHAB CN(Cc1ccccn1)C(=O)c1nc([C@@H]2CCCN2C(=O)c2ccccc2)n2ccccc12 306132926 LWNDKWUNIPUVOT-QFIPXVFZSA-N 439.519 3.979 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ncc(C(=O)Nc3cccc(C(F)(F)F)c3)cn2)cc1 408531545 MGSIKHLJQVUQBH-UHFFFAOYSA-N 436.415 3.857 0 40 IHAB COc1ccc(Cl)cc1NC(=O)COC(=O)CCC(=O)Nc1ccccc1Cl 408661794 HVPRIRLRNYCMNY-UHFFFAOYSA-N 425.268 3.903 0 40 IHAB CCOC(=O)c1ccc(NC(=O)c2ccc(N3C(=O)[C@H]4CC=C(C)C[C@@H]4C3=O)cc2)cc1 408682243 KNPDOJLNZNTMRZ-SFTDATJTSA-N 432.476 3.961 0 40 IHAB COc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(C)cc2)cc1 409058412 OLVXTTQVOQUABJ-VNGKGULCSA-O 448.930 3.673 0 40 IHAB COc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(C(C)C)cc3)[C@H]2c2ccccc2)cc1 409066957 IHRIALVAEYOSCH-JLUQKLKGSA-O 442.539 3.835 0 40 IHAB Cc1ccc([C@H]2[C@@H](NC(=O)c3cccc(C)c3)C(=O)N/[N+]2=C\c2ccc(Cl)cc2)cc1 409075238 XTMIBTNOFMFEPB-WSBKAMHLSA-O 432.931 3.973 0 40 IHAB CCn1c(SCC(=O)Nc2ncccc2C)nnc1[C@H](C)NC(=O)c1ccc(C)cc1 409132422 OLSUSWSOAXWGKU-INIZCTEOSA-N 438.557 3.532 0 40 IHAB C[C@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2ccc(Cl)cc2)n1C 409148433 ZCADYSUFVVAUFQ-ZDUSSCGKSA-N 429.933 3.690 0 40 IHAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 409199720 JIPZCZZNCMGIEU-UHFFFAOYSA-N 430.448 3.657 0 40 IHAB CCOc1ccccc1C(=O)N1CCN(C)C(=O)[C@H]1Cc1ccc(-c2ccncc2)cc1 585169039 WAZVSDNTHGYBED-HSZRJFAPSA-N 429.520 3.673 0 40 IHAB CCOc1cccc2c1OCCOCCN(C(=O)CCC1CCC1)C[C@@H]1CCCN1C2 643567490 HTMMAUVTIGJVII-QFIPXVFZSA-N 430.589 3.868 0 40 IHAB O=C(CSc1nc2ccc(NC(=O)c3ccccc3)cc2s1)NC[C@H]1CCCO1 878010 XKEYKCZHTMMBKS-MRXNPFEDSA-N 427.551 3.936 0 40 IHAB NC(=O)c1c(NC(=O)CSc2ncnc3sc4c(c23)CCCC4)sc2c1CCC2 2680115 VNHFEGPLUOWUCJ-UHFFFAOYSA-N 444.607 3.950 0 40 IHAB CCCCNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(OC)c(OC)c1 3489417 QGMWUORARHIHGO-UHFFFAOYSA-N 426.542 3.960 0 40 IHAB CCOc1ccc(Br)cc1[C@@H]1C(C(=O)OC)=C(N)Oc2cc(N(C)C)ccc21 3628342 IOPHSCFJTQNVKJ-GOSISDBHSA-N 447.329 3.781 0 40 IHAB CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1cc2c(s1)CCCCC2 8170888 SGCXZXSWWBFARH-UHFFFAOYSA-N 427.570 3.564 0 40 IHAB NC(=O)c1ccc(NC(=O)c2ccccc2SCC(=O)NCC2CCCCC2)cc1 8316044 NZNSMFOMNUMEPB-UHFFFAOYSA-N 425.554 3.826 0 40 IHAB Cc1cc(C)c(-c2cc(NC(=O)CSc3n[nH]c(N)n3)n(-c3ccccc3)n2)cc1C 8686259 CVWGMPPNYMGTFQ-UHFFFAOYSA-N 433.541 3.896 0 40 IHAB Cc1nc(NC(=O)COc2ccc(Br)cc2)ccc1I 8832021 CKLFVPRMUMJBJO-UHFFFAOYSA-N 447.070 3.775 0 40 IHAB C[C@@H](C(=O)N1CCC(Cc2ccccc2)CC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 8936491 IXKZPWRJRYLCIO-FQEVSTJZSA-N 446.595 3.836 0 40 IHAB O=C(CCCSc1ccccc1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 9127432 UDYQWKJCNGPYOA-CPNJWEJPSA-N 430.595 3.704 0 40 IHAB COc1ccc(OC)c(C2=NO[C@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)c2ccccc2)c1 9130266 RXTIMXBQPXTKHI-BWKNWUBXSA-N 428.444 3.785 0 40 IHAB CCCc1nnc2n1N[C@H](c1ccc(OC)cc1)[C@H](C(=O)Nc1ccccc1OC)S2 9295128 OLWMFSFCFAQUDG-WOJBJXKFSA-N 439.541 3.646 0 40 IHAB CCOC(=O)c1c(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)sc2c1CC[C@@H](C)C2 9443788 GJJLUJSYDRKKLP-CYBMUJFWSA-N 440.521 3.955 0 40 IHAB COc1ccc([C@@H](NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)c2ccccc2)cc1 9516213 MRMBWUIAQIIDBW-OZXSUGGESA-N 428.532 3.992 0 40 IHAB C[C@@H]1CCN(C(=O)CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)c2ccccc2S1 9576194 PAZNIEFHQWEWNC-QGZVFWFLSA-N 436.581 3.884 0 40 IHAB CCOC(=O)c1oc2ccccc2c1COC(=O)CS[C@@H](C)C(=O)Nc1cc(C)on1 9590784 QWIHLGHVULYQQW-ZDUSSCGKSA-N 446.481 3.710 0 40 IHAB CCn1c(CC(=O)Nc2cccc(C)c2)nnc1S[C@H](C)C(=O)NC1CCCCC1 9616679 JAQCEEHSULFIJO-MRXNPFEDSA-N 429.590 3.717 0 40 IHAB CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OCC(=O)Nc1ccc(C(C)C)cc1 9761889 KYFBJHMAHLMNFU-UHFFFAOYSA-N 435.480 3.550 0 40 IHAB COc1ccc([C@@H]2CCCCCN2C(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)cc1 9765168 NZLJHNHBTVTAKK-QHCPKHFHSA-N 449.551 3.696 0 40 IHAB COc1ccc(CCN2C[C@H](C(=O)N3CCC[C@@H]3c3cccs3)CC2=O)cc1OC 9765892 IRPOLNSIBHZEBO-QZTJIDSGSA-N 428.554 3.520 0 40 IHAB Cc1ccc(-c2csc3ncn(CC(=O)c4c[nH]c(C(=O)N5CCCC5)c4)c(=O)c23)cc1 9995863 SYTIFAJTBJSTNF-UHFFFAOYSA-N 446.532 3.880 0 40 IHAB CSc1nc2nc(C)c(CC(=O)N3CCC[C@@H]3c3nc4ccccc4s3)c(C)n2n1 10109528 PXTLXNPYGNWTIR-MRXNPFEDSA-N 438.582 3.979 0 40 IHAB Cc1cc2occ(CC(=O)N3CCC(NS(=O)(=O)c4ccccc4)CC3)c2cc1C 11166964 LOKNUILOPRAZAU-UHFFFAOYSA-N 426.538 3.562 0 40 IHAB O=C(NC1CCCC1)[C@@H](c1cccnc1)N(C(=O)c1csnn1)c1ccc(F)cc1 12472214 HXFBGYYKOWJYGC-LJQANCHMSA-N 425.489 3.519 0 40 IHAB Cc1cc(SCC(=O)NC[C@H](c2cccs2)N2CCOCC2)nc2ccccc12 12554007 RGUGPAWQAKCZOU-LJQANCHMSA-N 427.595 3.887 0 40 IHAB COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2csnn2)c2ccccc2)cc1 12636408 AOXMNRJRIAISKJ-NRFANRHFSA-N 436.537 3.994 0 40 IHAB COc1ccc(C)cc1CN(C)C(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 12805243 LQXJMLRVWKWKMI-UHFFFAOYSA-N 425.554 3.772 0 40 IHAB O=C(CSc1nnc2scc(-c3ccccc3)n12)N1CCN(c2ccccc2)CC1 12878578 LNWFYYOGDQONLU-UHFFFAOYSA-N 435.578 3.899 0 40 IHAB COc1cc(Br)c(CC(=O)NC[C@H](c2ccco2)N2CCCC2)cc1OC 12911224 GUFYBAPOYPYJKV-MRXNPFEDSA-N 437.334 3.555 0 40 IHAB COc1ccc(CCNC(=O)c2csc(-c3cccc(OC)c3OC)n2)cc1OC 12941675 ZAKOGPIQOPLPTO-UHFFFAOYSA-N 428.510 3.817 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cc1cnn(-c2ccccc2)c1 12948553 KROYLVHVUGZUAA-UHFFFAOYSA-N 438.553 3.537 0 40 IHAB Cc1cc(Br)cc(Cl)c1OCC(=O)Nc1ccc2c(c1)NC(=O)CO2 12948916 PXMKVGSEBXDJME-UHFFFAOYSA-N 425.666 3.759 0 40 IHAB Cc1cc(C(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)c(C)n1C[C@H]1CCCO1 13108048 XVXNHXGQAMRECI-QGZVFWFLSA-N 433.434 3.839 0 40 IHAB CC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)OCC(=O)N1CCc2ccccc21 13129364 ASPPJXGPGKDLLJ-QHCPKHFHSA-N 436.552 3.871 0 40 IHAB Cc1cc(C)n([C@@H](C)CC(=O)N2CCC[C@H](c3nc4ccc(F)cc4cc3C(N)=O)C2)n1 13225331 AYDQLYCTNOLLQQ-IRXDYDNUSA-N 437.519 3.643 0 40 IHAB CN(CC(=O)N(C)c1ccccc1C(=O)NCc1ccco1)Cc1nc2ccccc2s1 14114735 SRTKJODCWFJVAY-UHFFFAOYSA-N 448.548 3.914 0 40 IHAB O=C(C1c2ccccc2Oc2ccccc21)N1CCN(S(=O)(=O)c2cccs2)CC1 14184800 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CNc1cc(C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc(-c2cccnc2)n1 19592234 BDUJKEVURMZBFX-UHFFFAOYSA-N 443.960 3.802 0 40 IHAB CCn1nc(C)c(CN2CCO[C@H](c3nc(N(C)C)ncc3-c3ccc(F)cc3)C2)c1C 19692961 XEDHPKYAIQGNDX-QFIPXVFZSA-N 438.551 3.755 0 40 IHAB Cc1cccc(C)c1OCC(=O)N1CC[C@H](c2ccc3c(NC4CCOCC4)n[nH]c3n2)C1 19705081 XOCAOLYXAMJEBX-SFHVURJKSA-N 449.555 3.561 0 40 IHAB Cc1nc([C@H]2CCN(C(=O)CCCc3ccccn3)C2)nc2c1CCC(=O)N2CCC(C)C 19738985 UMVYPNATRVTQKP-FQEVSTJZSA-N 449.599 3.844 0 40 IHAB CCn1c(CN2CCC(Cc3nc(C)ncc3C(=O)N3CCCC3)CC2)nc2ccccc21 19756993 QPDIHBHPBVFZTL-UHFFFAOYSA-N 446.599 3.845 0 40 IHAB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)N[C@H]2CCCc3ccccc32)CC1 20034705 PFIBXBZXMHDWPR-QHCPKHFHSA-N 426.582 3.731 0 40 IHAB COc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1 22514741 SSGWUDWIBLEJJB-UHFFFAOYSA-N 441.509 3.689 0 40 IHAB CC(C)n1ncc2cc(NC(=O)CSc3nncn3-c3cccc(Cl)c3)cnc21 25577451 WBCABYXJCQDEJB-UHFFFAOYSA-N 427.921 3.977 0 40 IHAB O=C(Cn1cnc2ccsc2c1=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2 26019520 AEXHOJROLAOQNZ-UHFFFAOYSA-N 439.518 3.524 0 40 IHAB CC(C)OC(=O)COC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1cnn2C(C)C 28485756 FIXBGHUEPBTAOW-UHFFFAOYSA-N 439.468 3.559 0 40 IHAB CCOC(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2ccc(F)cc2F)c(Br)c1 29940070 HGBAYCHLWDHBJE-JTQLQIEISA-N 448.285 3.944 0 40 IHAB Cn1cc(CN2CCC[C@H]2c2nc(-c3ccc(N4CCOCC4)nc3)no2)c2ccccc21 35425322 ONKDUSCMAMPRJW-QFIPXVFZSA-N 444.539 3.797 0 40 IHAB biogenic,in-vitro OC1CCC(Nc2ncc3nc(Nc4c(F)cc(F)cc4F)n([C@H]4CCOC4)c3n2)CC1 35902440 IBGLGMOPHJQDJB-MOKVOYLWSA-N 448.449 3.664 0 40 IHAB in-vitro CC[C@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1Cl)C(=O)OC 36576395 JLTFFELJKDPHEW-PBQZTSCYSA-N 439.343 3.961 0 40 IHAB Cc1ccc2c(c1)C(=O)N(CCCC(=O)N1CCC[C@@H]1c1ccc3c(c1)OCCO3)C2=O 39976102 QVJXCRZTIRFHHV-HXUWFJFHSA-N 434.492 3.506 0 40 IHAB Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccc(Cl)cc4)[nH]c(=O)c32)cc1C 40399259 DWBRZHDGQKMDGL-MRXNPFEDSA-N 437.887 3.848 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)N[C@@H]1CCCc2ccccc21 44847838 HJDMLVCJSBFIHR-JOCHJYFZSA-N 442.581 3.923 0 40 IHAB O=C(c1cnc(-c2ccccc2)s1)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 46814455 VFMRNMLLRMJTCX-UHFFFAOYSA-N 445.541 3.532 0 40 IHAB CC1CCN([C@@H](CNC(=O)CCc2nc(-c3ccccn3)no2)c2cccs2)CC1 48287491 BBUGPSWPQDNSFK-SFHVURJKSA-N 425.558 3.715 0 40 IHAB Cc1nc2n(c1CCNc1nc(CN3CCOCC3)nc3sc(C)c(C)c13)CCCC2 48303304 HVBXEXWHBFBQRH-UHFFFAOYSA-N 440.617 3.636 0 40 IHAB CCOc1ccc(NC(=O)CN2CCc3[nH]c4c(C)c(Cl)ccc4c(=O)c3C2)cc1 49003140 MFLQHKDITMVILR-UHFFFAOYSA-N 425.916 3.885 0 40 IHAB Cc1cc(C)c(NC(=O)Cn2nc3c(Oc4ccc(Cl)cc4)nccn3c2=O)c(C)c1 49008712 NBRLZWSHHHQBQW-UHFFFAOYSA-N 437.887 3.901 0 40 IHAB O=C(Cn1c(=O)n(CCc2cccs2)c(=O)c2ccccc21)Nc1ccccc1Cl 57473192 FCCHXBWMTNTSSA-UHFFFAOYSA-N 439.924 3.760 0 40 IHAB CCc1ccccc1NC(=O)Cn1c(=O)n(-c2ccc(F)c(C)c2)c(=O)c2sccc21 57494351 VKYDENHBQMGNKP-UHFFFAOYSA-N 437.496 3.863 0 40 IHAB COCCCNC(=O)CN(C)[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 57986458 BYUZFRLODRTNPE-HXUWFJFHSA-N 438.355 3.758 0 40 IHAB O=C(Nc1ccc(Oc2cccc(Br)c2)nc1)c1cccnc1-n1cncn1 58162180 HKBVUMAOJJHFTH-UHFFFAOYSA-N 437.257 3.864 0 40 IHAB CC[C@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCc1nccn1CC(F)(F)F 65562566 QASOAMNKNIBUBX-BLLLJJGKSA-N 431.842 3.987 0 40 IHAB O=C(Cn1cnc2nc(N3CCCCC3)sc2c1=O)Nc1cc(Cl)cc(Cl)c1 67317080 DMSDNQOZLHDVJD-UHFFFAOYSA-N 438.340 3.789 0 40 IHAB CC(C)c1ccc(OCC(=O)Nc2cc(Cl)ccc2OCCS(C)(=O)=O)cc1 72303742 DSQWIAUKEHFXTO-UHFFFAOYSA-N 425.934 3.904 0 40 IHAB O=C1N[C@]2(COC3(CCN(Cc4ccc5nccnc5c4)CC3)C2)Nc2ccc(Cl)cc21 72325624 RODAHFAHKWKTII-XMMPIXPASA-N 449.942 3.590 0 40 IHAB COc1cc2c(cc1OC)[C@H]1c3ccccc3N(CC(=O)N3CCCCC3)C(=O)N1CC2 72342029 VRGCVACQBMSCQC-XMMPIXPASA-N 435.524 3.604 0 40 IHAB CC(C)c1nccn1CC(=O)N1CC[C@H](c2cc(CCOc3ccc(F)c(F)c3)[nH]n2)C1 72371687 OZYWRZHZQHAMKV-INIZCTEOSA-N 443.498 3.645 0 40 IHAB CN(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@H]1CCCC[C@@H]1S(C)(=O)=O 78969804 QFBODVHEBPEOMQ-GJZGRUSLSA-N 426.888 3.585 0 40 IHAB COc1cccc(N2CCN(C(=O)c3ccc(CNC(=O)OC(C)(C)C)o3)C[C@@H]2C)c1 89939381 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CCOc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c(Br)cc1O 409230039 BNMLKACRUMKWLA-LZYBPNLTSA-N 431.286 3.955 0 40 IHAB O=C(CSCC(=O)NCCc1cccc(Cl)c1)NCCc1cccc(Cl)c1 533808686 CRADLZMOZWRGQE-UHFFFAOYSA-N 425.381 3.744 0 40 IHAB CC(C)Cn1cc(NC(=O)c2cccc(CS(=O)(=O)NC(C)(C)C)c2)c(C(F)F)n1 536444508 CMCIFLCDQVGVEB-UHFFFAOYSA-N 442.532 3.947 0 40 IHAB Cc1cc(OC[C@@]2(O)COCCN(C[C@]3(O)CC[C@@H](c4ccccc4)CC3)C2)ccc1F 585286779 IRNKLBIQZWCNDU-DFCKQENNSA-N 443.559 3.665 0 40 IHAB Cc1ccc(C)c(NC(=O)CSc2nnc(CSc3nc(C)cc(C)n3)n2C)c1 907021 KVHGLMKHWPOUGO-UHFFFAOYSA-N 428.587 3.862 0 40 IHAB C[C@@H]1CCc2c(sc3ncn4c(SCC(=O)NCCc5ccccc5)nnc4c23)C1 929612 ZRQBDOWBRYXYCV-CQSZACIVSA-N 437.594 3.915 0 40 IHAB Cn1c(=O)c2c(nc3n(-c4ccc(Cl)cc4)c(-c4ccc(Cl)cc4)cn23)n(C)c1=O 1414398 IMLYXWOODZCPRH-UHFFFAOYSA-N 440.290 3.649 0 40 IHAB Nc1ncnc(N)c1NC(=O)c1ccc(OCCCCOc2ccccc2)c(Cl)c1 1749400 MGCSRYCVWCOKKF-UHFFFAOYSA-N 427.892 3.785 0 40 IHAB Cc1onc(-c2ccccc2)c1C(=O)NCCNC(=O)c1c(-c2ccccc2)noc1C 2096139 RMBRHLVOACNWJF-UHFFFAOYSA-N 430.464 3.773 0 40 IHAB COc1ccc([C@H]2C[C@H](c3ccccc3Cl)n3nc(N4C(=O)CCC4=O)nc3N2)cc1 2231772 UPLKQIXODFYQPU-QZTJIDSGSA-N 437.887 3.740 0 40 IHAB CCn1cc(NC(=O)c2cc3nc(C(F)F)cc(C(F)F)n3n2)c(C(=O)OC(C)C)n1 2727992 OZKZSCGEWVRZFI-UHFFFAOYSA-N 442.373 3.638 0 40 IHAB COc1ccc(NS(=O)(=O)c2cc(OC)ccc2NC(=O)c2cc(C)oc2C)cc1 3236275 PSSCPFLULYANCM-UHFFFAOYSA-N 430.482 3.967 0 40 IHAB CCOC(=O)c1c(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)sc(C)c1C 3338209 FHKLQPGQMMXIFB-UHFFFAOYSA-N 444.534 3.842 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2)Cc2ccco2)cc1 3343419 VSQJMTCHFBRIMU-UHFFFAOYSA-N 434.901 3.771 0 40 IHAB C[C@H]1C[C@@H](C)CN(C(=O)Cn2c(SCC(=O)NC3CCCC3)nc3ccccc32)C1 4859303 WVAIYWSYRUTTAD-CALCHBBNSA-N 428.602 3.692 0 40 IHAB Cc1c(CC(=O)NC[C@H]2CCCO2)c(=O)oc2cc3c(cc12)CCC1(CCCCC1)O3 6764478 FCRKERQBCKBILM-GOSISDBHSA-N 425.525 3.967 0 40 IHAB CCn1c(SCCNS(=O)(=O)c2ccc(C)cc2)nnc1-c1ccc(Cl)cc1 9165290 INRQWRNWQAZOMV-UHFFFAOYSA-N 436.990 3.997 0 40 IHAB c1cnc2nc(-c3ccc(N4CCOCC4)cc3)c(Nc3ccc4c(c3)OCCO4)n2c1 9190465 TXVGKGUJKFDLTQ-UHFFFAOYSA-N 429.480 3.748 0 40 IHAB Cn1c(=O)c2c(SCc3c(F)cccc3Cl)nc(-c3cccs3)nc2n(C)c1=O 9411612 ILFYLOINJZPGIX-UHFFFAOYSA-N 448.932 3.841 0 40 IHAB Cc1ccc(S(=O)(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)C[C@H]2CCCO2)cc1 9450285 JBKIOVFYFWCRIL-HXUWFJFHSA-N 426.538 3.515 0 40 IHAB COc1ccc(CNC(=O)c2cccc(S(=O)(=O)Nc3cccc(C)c3)c2)cc1OC 9545465 RBRUMAJDXUMDAN-UHFFFAOYSA-N 440.521 3.743 0 40 IHAB Cc1csc(NC(=O)C2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)n1 9613367 WZPDYVLVOAGPOH-UHFFFAOYSA-N 434.370 3.798 0 40 IHAB Cn1c(CCNC(=O)c2ccccc2F)nnc1SCC(=O)c1ccc(Cl)cc1 9699197 BKTOFEBVNQCFGV-UHFFFAOYSA-N 432.908 3.555 0 40 IHAB COc1ccc(OC)c(S(=O)(=O)NC[C@H](c2cccs2)N2CCc3ccccc32)c1 9708259 LETHIHQHJSVABE-LJQANCHMSA-N 444.578 3.848 0 40 IHAB O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NC[C@@H](c1ccco1)N1CCCC1 9743199 SBLKIHNQMQZSSI-IBGZPJMESA-N 448.548 3.671 0 40 IHAB O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)Nc1ccc(N2CCCCC2)cc1 9778537 YOOFZQAGFMRXLJ-UHFFFAOYSA-N 433.599 3.704 0 40 IHAB O=C(COc1ncnc2scc(-c3ccccc3)c12)NC[C@@H]1COc2ccccc2O1 9833896 HPBWQQFJBRDRPV-MRXNPFEDSA-N 433.489 3.693 0 40 IHAB Cc1ccc(Cl)cc1N([C@H](C)C(=O)NCCSCc1ccccc1)S(C)(=O)=O 10370908 BPKPKJQWNZKGRJ-MRXNPFEDSA-N 441.018 3.853 0 40 IHAB CCOc1ccc(CNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1 10448765 UVPKKCBAAUCJAZ-UHFFFAOYSA-N 442.512 3.736 0 40 IHAB Cn1c(SCC(=O)Nc2nnc(C(F)(F)F)s2)nnc1-c1cc2ccccc2o1 10478238 CXLVHNGCHIROJP-UHFFFAOYSA-N 440.432 3.829 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2ccc(C)s2)c1 10647679 LWODOZUGPNYZAX-UHFFFAOYSA-N 444.962 3.536 0 40 IHAB CC(=O)Nc1ccc(C(=O)CSc2nnc(N3CCC(C)CC3)n2C2CC2)c(F)c1 11424348 GWOINITWIUDBGQ-UHFFFAOYSA-N 431.537 3.922 0 40 IHAB O=C(CSc1ncnc2c1nnn2Cc1ccc(Cl)cc1)N1CCc2ccccc21 11758550 NCMAHYDIOUGXBZ-UHFFFAOYSA-N 436.928 3.604 0 40 IHAB CCc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc1 12137195 LNCUCTFUKGTOBF-OAHLLOKOSA-N 429.498 3.752 0 40 IHAB Cc1ccc(C)c2sc(N(CCN(C)C)C(=O)c3ccccc3S(C)(=O)=O)nc12 12342339 NUMJYCFDVYVMSR-UHFFFAOYSA-N 431.583 3.525 0 40 IHAB O=C1C[C@@H](c2nc(-c3ccc(Br)cc3)no2)CN1c1ccc2c(c1)OCCO2 12414377 ZDGDDTYBKWGJMA-CYBMUJFWSA-N 442.269 3.791 0 40 IHAB Cc1cc(SCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)nc2c(C)cccc12 12568886 LJIQFEGVXASICJ-SFHVURJKSA-N 432.611 3.902 0 40 IHAB Cn1c(SCC(=O)Nc2ccccc2C(=O)NCc2ccccc2)nnc1-c1ccco1 12593434 XGYYAVQZMOAXBC-UHFFFAOYSA-N 447.520 3.736 0 40 IHAB O=C(/C=C/c1cc(Cl)c2c(c1)OCCO2)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 12593773 BKHSYAVJDJNNFI-AATRIKPKSA-N 439.899 3.631 0 40 IHAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1nc(CN2CCOCC2)nc2ccccc12 12707371 KAHOYOQSNWDDSB-QGZVFWFLSA-N 434.565 3.532 0 40 IHAB O=C(CCCCCNC1=NS(=O)(=O)c2ccccc21)Nc1cccc2c1CCCC2 12749448 QOZUJEPBHZFQIU-UHFFFAOYSA-N 425.554 3.803 0 40 IHAB Cc1ccc(-c2nc(CN3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)cs2)cc1 12878270 JDQYYKKKXXEPCO-UHFFFAOYSA-N 427.595 3.933 0 40 IHAB Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)c1C 12987258 COIJZCROACGQTF-UHFFFAOYSA-N 449.960 3.586 0 40 IHAB CCc1ccccc1NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CC(=O)Nc2ccccc21 13629539 YGHXWBNDVAYEMF-QFIPXVFZSA-N 442.519 3.967 0 40 IHAB Cc1cc(N(CC(=O)N2CCCc3ccccc32)S(C)(=O)=O)ccc1Br 13676021 RPDQFGJOJIPYOZ-UHFFFAOYSA-N 437.359 3.503 0 40 IHAB CCn1c(SCC(=O)Nc2ccc(N3CCOCC3)cc2)nnc1-c1cccc(F)c1 13956264 BNAFIDAMLCKEPS-UHFFFAOYSA-N 441.532 3.672 0 40 IHAB COc1cccc(-c2nnc(SCC(=O)N(C)Cc3ccco3)n2Cc2ccco2)c1 14022679 SYHSNMMITPKLRX-UHFFFAOYSA-N 438.509 3.939 0 40 IHAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)cc1 14251046 LEHXIOVKTPGYCL-MRXNPFEDSA-N 437.521 3.618 0 40 IHAB O=C(CSc1nc(=O)n(Cc2ccncc2)c2c1CCC2)Nc1cccc(Cl)c1 15882769 XMBXJGCPSJGODV-UHFFFAOYSA-N 426.929 3.560 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1NC(=O)c1ccccc1F 15892204 FLJFECNKYIRZQY-UHFFFAOYSA-N 430.457 3.896 0 40 IHAB CCNc1nc(SCC(=O)N(C)CC(=O)Nc2ccccc2Cl)nc2ccccc12 16397490 DIIIDPXXIPXWFU-UHFFFAOYSA-N 443.960 3.904 0 40 IHAB Cc1ccc(S(=O)(=O)NC[C@H](c2ccco2)N2CCN(c3ccc(F)cc3)CC2)cc1 17050922 BCDMADCWWTUJTB-JOCHJYFZSA-N 443.544 3.569 0 40 IHAB COc1ccc([C@H]2N(C(=O)c3cc4cc(F)ccc4n3C)CCC[C@]23CCC(=O)N3)cc1 19289760 CQJNWQOMWRMMJZ-NOZRDPDXSA-N 435.499 3.952 0 40 IHAB OCCn1cc(-c2ccnc(N3CCCC3)n2)c([C@H]2CCCN(CC3CCCCC3)C2)n1 19404138 ZKWZRPAWMWHLJO-NRFANRHFSA-N 438.620 3.692 0 40 IHAB COc1ccc(CC(=O)N2CCC(c3nc(C)c4c(n3)N(CC3CC3)CCC4)CC2)cc1 19707198 SQQYQHAOGDLXBH-UHFFFAOYSA-N 434.584 3.905 0 40 IHAB Cc1cc(C)cc(CSCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1 19932987 HTVRTKWQYLELAT-UHFFFAOYSA-N 442.566 3.766 0 40 IHAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OC 20107012 ARLLMBOQXYAIOH-FQEVSTJZSA-N 432.542 3.584 0 40 IHAB O=C(COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1c(F)cccc1F 21763130 OUNKWANTOGOWEP-UHFFFAOYSA-N 443.372 3.777 0 40 IHAB COc1ccccc1CNC(=O)c1ccc2c(O)nc3c(-c4cccc(C)c4)nnn3c2c1 21867128 JYCMWAMMEUGOMF-UHFFFAOYSA-N 439.475 3.897 0 40 IHAB CCOc1cc(CNCCCSc2nnnn2-c2ccccc2)cc(Cl)c1OC 22109053 LYYWZVPYEPJMHV-UHFFFAOYSA-N 433.965 3.995 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 22273499 SGQLTAHMHOGAIV-UHFFFAOYSA-N 445.324 3.575 0 40 IHAB COc1ccc(Cn2nnnc2[C@H](c2ccccc2)N2CCN(C3CCCCC3)CC2)cc1 22929464 XTFMHQCCXVWLMS-VWLOTQADSA-N 446.599 3.770 0 40 IHAB O=C(CN1CCOCC1)Nc1ccc(NC(=O)c2cc(F)c(Cl)cc2Cl)cc1 23013343 LRRMDVIRFSRUPK-UHFFFAOYSA-N 426.275 3.656 0 40 IHAB O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1ccc(CN2C(=O)CNC2=O)cc1 23076916 WLXMFTAEPXIBIV-HSZRJFAPSA-N 428.444 3.519 0 40 IHAB CN(C)[C@@H](CNC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)c1ccccc1Cl 23294980 AEGLIRYQCMNFKF-NRFANRHFSA-N 449.929 3.890 0 40 IHAB Cc1nc(-c2ccsc2)sc1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 23935798 FEGYSVJIJVVJPK-UHFFFAOYSA-N 427.551 3.867 0 40 IHAB O=c1c2cc(Cl)cc(Cl)c2ncn1C[C@@H](O)COc1ccc(Br)cc1 24991286 MULGNHXEVALLEM-GFCCVEGCSA-N 444.112 3.906 0 40 IHAB Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)Nc1cccc(Oc2cnccn2)c1 25264917 XMQXPQKVUUYWLP-UHFFFAOYSA-N 448.508 3.664 0 40 IHAB O=C(NCCSCc1ccccc1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 25690778 SLLMMEAZKDGUDI-UHFFFAOYSA-N 432.611 3.915 0 40 IHAB C[C@H](NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(Cl)cc1Cl 29494888 LDVUGMSUCNVPOP-LBPRGKRZSA-N 444.336 3.806 0 40 IHAB CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 32772827 WVEXKPRXFSSYRA-AVYPCKFXSA-N 425.485 3.686 0 40 IHAB Cc1cccc(OCC(=O)Nc2ccccc2OCc2cc(=O)n3cccc(C)c3n2)c1 33067842 VSJGBVPCJYIDBV-UHFFFAOYSA-N 429.476 3.908 0 40 IHAB COc1ccc(S(=O)(=O)N(C)c2ccsc2C(=O)NCc2ccccc2F)cc1 33141762 MLZXOOYAEQRZEV-UHFFFAOYSA-N 434.514 3.651 0 40 IHAB O=C(Cc1c(F)cccc1Cl)N1CCN(C2=NN=C(c3cccs3)CS2)CC1 36709973 GSLPCGJLKJHMJU-UHFFFAOYSA-N 436.965 3.734 0 40 IHAB Cc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)N1c2ccccc2C[C@@H]1C 46027459 ZXUMUCJDQNJSSP-KRWDZBQOSA-N 449.576 3.774 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)Cc2ccccc2)cc1OC 59515956 HHFZCJMIWBDIBL-UHFFFAOYSA-N 440.521 3.533 0 40 IHAB CSc1cccc(NC(=O)CN2CCCC[C@@H]2C(=O)Nc2ccc3c(c2)CCO3)c1 72293987 PCQRXPMJQITPKZ-HXUWFJFHSA-N 425.554 3.775 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)CN1CCC(c2nnc(-c3ccsc3)o2)CC1 96024418 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447.373 3.998 0 40 IHAB C[C@@H]1Cc2cc(Br)cc3c(=O)c(C(=O)Nc4ccc5c(c4)OCO5)cn1c23 223105881 IVWJBYZBRGUOBM-SNVBAGLBSA-N 427.254 3.862 0 40 IHAB CN(CCCC(=O)NCCOc1ccccc1C(C)(C)C)S(=O)(=O)c1ccccc1 223720072 GQAOKYOYQZXJFV-UHFFFAOYSA-N 432.586 3.580 0 40 IHAB COc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1COc1ccc(Cl)cc1 224160457 KDKDRWJUDRFSFN-UHFFFAOYSA-N 446.912 3.827 0 40 IHAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)n1C 225609117 LKKJMNYAQUGYEW-YADHBBJMSA-N 437.544 3.869 0 40 IHAB CC[C@H](NC(=O)CCc1cc(S(=O)(=O)N2CCCC2)ccc1OC)c1ccccc1 225723548 OKTLGRCOOVKWMR-NRFANRHFSA-N 430.570 3.680 0 40 IHAB CCOc1cc(OC)ccc1-c1ccc(C(=O)NC(CO)CO)c(CCc2ccccc2)c1 257246684 IVHOWHPSKQQPPT-UHFFFAOYSA-N 449.547 3.629 0 40 IHAB COc1cccc(N(C)C(=O)c2nc(-c3ccn(Cc4ccccn4)c3)n3ccccc23)n1 306142132 WQOQUKIQSKXKMS-UHFFFAOYSA-N 438.491 3.926 0 40 IHAB O=C(NCc1ccc(Cl)cc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 408589215 DZTXFLHVKVIWKD-NRFANRHFSA-N 428.941 3.546 0 40 IHAB COc1ccc(OC)c(NC(=O)COC(=O)CCCC(=O)Nc2cc(C)ccc2C)c1 408664791 KDZGZXFRWRUAEJ-UHFFFAOYSA-N 428.485 3.611 0 40 IHAB CCS(=O)(=O)N(CC(=O)Nc1cc(Cl)cc(Cl)c1)c1ccc2c(c1)OCO2 408706216 XQHQYDXWOZDWIZ-UHFFFAOYSA-N 431.297 3.517 0 40 IHAB Cc1ccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3cccc(F)c3C)n2C)cc1 409148031 WYSACUFRLNLNSS-HNNXBMFYSA-N 441.532 3.793 0 40 IHAB CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1cc(C)ccc1OC 409160001 OWCJXRNCWLQOKH-UHFFFAOYSA-N 426.542 3.945 0 40 IHAB Cc1nccn1Cc1cccc(C(=O)N2C[C@@H](c3ccccc3)[C@@]3(CCCCC(=O)N3)C2)c1 585261690 KMPCZAWUNHTGGW-RPLLCQBOSA-N 442.563 3.908 0 40 IHAB CC(C)(C)c1ccc(C2(C(=O)N3CCN(S(C)(=O)=O)c4ccccc4C3)CC2)cc1 1116419417 JBSOPKGGSSWIID-UHFFFAOYSA-N 426.582 3.824 0 40 IHAB CN1CCN(S(=O)(=O)c2oc3ccccc3c2Br)[C@H](c2ccccc2)C1 1653420188 LITSBZFZZHAUGJ-INIZCTEOSA-N 435.343 3.873 0 40 IHAB COc1ccc(C(=O)Nc2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cn2)cc1 1358649 RAKXOOMBAUUJHU-UHFFFAOYSA-N 437.452 3.621 0 40 IHAB CC(C)(C)NC(=O)NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1F 3304387 JYHCWDYUZKKLIS-UHFFFAOYSA-N 445.495 3.929 0 40 IHAB CSc1ccccc1NC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccc(F)cc1 3340279 BVAPXAFRIDNSBG-UHFFFAOYSA-N 434.514 3.970 0 40 IHAB C[C@H](Sc1nnc(-c2ccc(Br)cc2)n1CCc1ccccc1)C(N)=O 3365079 CFHAQFFPZGMMJP-ZDUSSCGKSA-N 431.359 3.916 0 40 IHAB CSCC[C@H](NC(=O)C1CCC(C)CC1)C(=O)N1CCN(c2ccccc2F)CC1 4762600 QUEYTMCQDFWLPD-QLOJAFMTSA-N 435.609 3.539 0 40 IHAB CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1 6088654 HMZQNIPFBZYONO-SFHVURJKSA-N 429.498 3.888 0 40 IHAB Cc1ccc2cc(CN(Cc3cccs3)C(=S)NCCCN(C)C)c(=O)[nH]c2c1 6409748 ZDBUQCJZTONGIN-UHFFFAOYSA-N 428.627 3.726 0 40 IHAB CC[C@@H](C)c1ccccc1NC(=O)CN(CC)CC(=O)Nc1ccc2c(c1)OCCO2 6509073 JJESXDKFCYVCRX-QGZVFWFLSA-N 425.529 3.870 0 40 IHAB CC(C)(C)c1ccc(-c2cn(C[C@H]3C[C@H]4CCN3C[C@@H]4C(=O)NCc3ccco3)nn2)cc1 8297626 JFYPCOMTCPKZLT-LSWJPFSZSA-N 447.583 3.862 0 40 IHAB biogenic,in-vitro Cc1cc(C)cc(NC(=O)[C@@H](OC(=O)c2nc3nc(C)cc(C)n3n2)c2ccccc2)c1 8718199 KYYMZMMBKPFINV-FQEVSTJZSA-N 429.480 3.895 0 40 IHAB COc1ccc(OCc2nnc(SCc3nnc(C)o3)n2-c2ccccc2F)cc1 8899713 OIBRJVLMCNVZGS-UHFFFAOYSA-N 427.461 3.978 0 40 IHAB C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](CNC4CCN(Cc5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C 8917848 NILKEYZRQOIGIQ-DBFQGJLESA-N 438.612 3.526 0 40 IHAB biogenic O=C(C[C@@]1(O)C(=O)N(CCCc2ccccc2)c2ccccc21)c1ccc2c(c1)OCCO2 8922767 YUKPYYKCNPCMLI-MHZLTWQESA-N 443.499 3.898 0 40 IHAB CCOc1ccc(NC(=O)[C@@H]2Sc3nnc(CC)n3N[C@@H]2c2ccc(F)cc2)cc1 9239313 KHBYPWIZBOQYLB-RTBURBONSA-N 427.505 3.776 0 40 IHAB O=C(CN1C(=O)S/C(=C\c2cccc(F)c2)C1=O)NCCc1c[nH]c2ccc(F)cc12 9429719 XZJPIXPPWYGRQM-OCKHKDLRSA-N 441.459 3.841 0 40 IHAB CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nnc(COc3ccc(C)cc3C)n2N)cc1 9463875 DYGLAEQLEREFIQ-MRXNPFEDSA-N 439.541 3.510 0 40 IHAB Cc1[nH]c2ccc(C(=O)OCC(=O)N(C)CC(=O)Nc3ccccc3Cl)cc2c1C 9465759 VSBTXGKOOKDZPZ-UHFFFAOYSA-N 427.888 3.692 0 40 IHAB CCCn1c(SCc2nc(N)nc(Nc3ccc(C)cc3)n2)nnc1-c1ccncc1 9469927 XYYTXHJNDVIDKH-UHFFFAOYSA-N 433.545 3.862 0 40 IHAB CC(=O)c1sc2nc(CSc3nnc(Cc4csc(C)n4)o3)[nH]c(=O)c2c1C 9498347 QKHFFSKYKNRRJV-UHFFFAOYSA-N 433.540 3.527 0 40 IHAB CS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3ccc(Br)cc3)c2)nn1 9626596 LZHNTUYRBXNSQR-UHFFFAOYSA-N 432.299 3.562 0 40 IHAB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O[C@@H](C)C(=O)Nc1ccc(Cl)cn1 9670753 BZMAUEVEJXYYSC-KSSFIOAISA-N 433.892 3.556 0 40 IHAB COc1cc(OC)c(N2C[C@H](C(=O)N[C@H](C)c3ccc(F)c(F)c3)CC2=O)cc1Cl 9671231 NDWLVKBUCGFKSD-DGCLKSJQSA-N 438.858 3.866 0 40 IHAB O=C(CSc1nnc(Cc2ccc(Cl)cc2)n1-n1cccc1)Nc1nccs1 9707911 WFJSKMTUDBYXMT-UHFFFAOYSA-N 430.946 3.823 0 40 IHAB COc1ccc(-n2c(=O)c(CCC(=O)NCCc3ccccc3F)nc3ccccc32)cc1 9765126 FVADWTCVLBVODP-UHFFFAOYSA-N 445.494 3.825 0 40 IHAB COc1ccc(OC)c(NC(=O)Cn2cc(C(=O)c3ccccc3)c(=O)c3ccccc32)c1 9855587 DYGKMIIOJDESKT-UHFFFAOYSA-N 442.471 3.888 0 40 IHAB CS(=O)(=O)Nc1cccc(CNC(=O)N2CCC(c3c[nH]c4ccccc34)CC2)c1 10363301 JURBOEQQDZXKBB-UHFFFAOYSA-N 426.542 3.629 0 40 IHAB COc1ccccc1Oc1ccc(NC(=O)CCNS(=O)(=O)c2cccs2)cc1 11515650 QAKOXJRLDJFYKD-UHFFFAOYSA-N 432.523 3.856 0 40 IHAB Cc1ccc(Nc2nc(NC3CC(C)(C)NC(C)(C)C3)nc(N3CCOCC3)n2)cc1C 12235201 UELRDLYFCOCSCI-UHFFFAOYSA-N 439.608 3.790 0 40 IHAB CC(C)(C)CC(=O)N1CC[C@@H](CC(=O)O)[C@@H](CCN2CCN(c3ccccc3)CC2)C1 12481333 MLZCFMQXWAYBKM-SFTDATJTSA-N 429.605 3.574 0 40 IHAB biogenic,in-vitro CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)N1[C@@H](C)CCC[C@H]1C 12565976 IIMPPFQWKNZRMI-DAYGRLMNSA-N 440.993 3.524 0 40 IHAB O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(CO)c1)c1ccc(F)cc1 12975513 CTDZIAMJWHWXIL-HSZRJFAPSA-N 431.467 3.779 0 40 IHAB COc1ccc(N(CCC(N)=O)C(=O)CSc2nc3cc(Cl)ccc3s2)cc1 13013042 FWDLFTXXGSZGEP-UHFFFAOYSA-N 435.958 3.959 0 40 IHAB O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)N[C@@H]1CCSc2ccccc21 13112649 UPLVWVWOJVTHQW-HXUWFJFHSA-N 430.595 3.757 0 40 IHAB CC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c1C 13137004 QOMSPJQOCKHRIF-UHFFFAOYSA-N 425.510 3.912 0 40 IHAB CCOC(=O)c1sc2nc([C@H](C)N(C)Cc3cccc(OC)c3OC)[nH]c(=O)c2c1C 13137670 RCMXINDUZPUTIQ-ZDUSSCGKSA-N 445.541 3.680 0 40 IHAB COc1ccc(OC)c([C@H]2CC(=O)Nc3nc(SCc4ccccc4C)[nH]c(=O)c32)c1 13567398 VSVIRXZQTCHTQI-QGZVFWFLSA-N 437.521 3.862 0 40 IHAB COc1ccc(-c2coc3cc(OCCN4C[C@H](C)O[C@H](C)C4)ccc3c2=O)cc1OC 13626037 IPRUUBMACLENNN-CALCHBBNSA-N 439.508 3.965 0 40 IHAB biogenic CCCc1ccc(S(=O)(=O)N2CCN(Cc3csc(-c4ccccn4)n3)CC2)cc1 14017347 RYPGOTMNWQEOTJ-UHFFFAOYSA-N 442.610 3.664 0 40 IHAB O=C(CN1C(=O)NC(Cc2ccccc2)(Cc2ccccc2)C1=O)c1ccc(F)c(F)c1 14017650 YZLUOYKYWWSQJO-UHFFFAOYSA-N 434.442 3.924 0 40 IHAB CNC(=O)[C@H]1CN(C(=O)c2cc3c(C)nn(Cc4ccccc4)c3s2)c2ccccc2O1 14240794 JRNRGEIVHFFNQC-HXUWFJFHSA-N 446.532 3.608 0 40 IHAB COc1ccc(OC)c([C@H](C)NC(=O)COc2ccc(I)cc2)c1 14316482 ARQXZPYYKCILOQ-LBPRGKRZSA-N 441.265 3.565 0 40 IHAB Cc1cc(Br)ccc1NCC(=O)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1 15332795 CWBHHZMVBKESIA-KRWDZBQOSA-N 443.407 3.518 0 40 IHAB O=C(COc1ccc(Br)cc1Br)NC(=O)Nc1ccccc1 15682832 INPQWHDJPYVFRU-UHFFFAOYSA-N 428.080 3.939 0 40 IHAB Cc1cccc(-c2nc3scc(CCNS(=O)(=O)c4ccc(C)c(C)c4)n3n2)c1 17135551 OHROBXWDXIALRU-UHFFFAOYSA-N 426.567 3.904 0 40 IHAB CCOc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)N(Cc2ccccc2)N[C@H]3c2ccccc2)cc1 19171614 SOIABYWLHAPPRM-HJOGWXRNSA-N 427.504 3.705 0 40 IHAB O=C(Nc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(F)ccc2O3)cc1)C1CC1 19332377 NIEKFWQFORBKII-YADHBBJMSA-N 440.515 3.558 0 40 IHAB COc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 19366656 PNKCYBUROVDTGH-UHFFFAOYSA-N 434.583 3.991 0 40 IHAB CCc1n[nH]c(C(=O)N2CCC[C@](Cc3ccccc3-c3cccs3)(C(N)=O)C2)c1C 19520926 PAXUJXCAKJCXAP-XMMPIXPASA-N 436.581 3.959 0 40 IHAB COc1cc2cc(N)c([C@@H]3CCCN(C(=O)[C@H]4CCC[C@H](OC)C4)C3)nc2cc1OC 19550966 AESDUXIGKNVNSE-JZXOWHBKSA-N 427.545 3.745 0 40 IHAB COc1ccccc1C(=O)N1CC[C@](Cc2ccc(-c3ccccc3OC)cc2)(C(N)=O)C1 19571635 WWWFGNBHBPEMDD-HHHXNRCGSA-N 444.531 3.931 0 40 IHAB Cc1cc(Cc2ccccc2Cl)cc(C2CCN(C(=O)CN3CCOCC3)CC2)n1 19691666 NZQLSCFIHUBFSS-UHFFFAOYSA-N 427.976 3.672 0 40 IHAB COc1cccc(CN2CC=CC[C@H](C3CCN(C(=O)c4cnc(C)nc4C)CC3)C2=O)c1 19698548 GOPALPMABRUDJH-HSZRJFAPSA-N 448.567 3.559 0 40 IHAB CNC(=O)C1(Cc2ccccc2-c2cccc(F)c2)CCN(C(=O)c2cnn(C)c2C)CC1 19700076 CREOAPASRGQAGJ-UHFFFAOYSA-N 448.542 3.746 0 40 IHAB Cc1nc([C@@H]2CCCN(C(=O)c3cccnc3)C2)nc2c1CCCN2Cc1ccccn1 19753008 SVFGDBMEWSKYMC-HXUWFJFHSA-N 428.540 3.548 0 40 IHAB COc1ccccc1NC(=O)c1cnc([C@@H]2CCCCN2C(=O)c2ccncc2)nc1C 19753406 CVGOXVLFOJOMAV-FQEVSTJZSA-N 431.496 3.808 0 40 IHAB Cc1nc([C@@H]2CCCN2C(=O)c2n[nH]c3c2CCCC3)ncc1C(=O)Nc1ccc(F)cc1 19755073 XTCFWZJWYRWYRA-FQEVSTJZSA-N 448.502 3.756 0 40 IHAB CCOc1ccc(CCC(=O)N2CCC[C@H]2c2ncc(C(=O)N3CCCC3)c(C)n2)cc1 19755942 SPEFGJLDWQBEKG-QFIPXVFZSA-N 436.556 3.716 0 40 IHAB COc1ccc(Cl)cc1N([C@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1)S(C)(=O)=O 20045082 MPAGMPLWZXCXEA-QWHCGFSZSA-N 428.913 3.520 0 40 IHAB O=C(Cn1c(=O)n(Cc2ccccc2)c(=O)c2ccccc21)c1ccc(Br)cc1 20130884 XQGNVBODVXBBNB-UHFFFAOYSA-N 449.304 3.857 0 40 IHAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc(F)c1)N(CCCN1CCOCC1)C3=O 20308622 PEOPDIWJUYGXEQ-JOCHJYFZSA-N 436.483 3.508 0 40 IHAB CCn1c(=O)n(CC)c2cc(N3CCCC3)c(NC(=O)c3ccc(OC)c(OC)c3)cc21 20853213 DLUJAJYIHSGGRS-UHFFFAOYSA-N 438.528 3.713 0 40 IHAB Cc1ccc2[nH]cc(CCN3C[C@H](C(=O)Nc4nnc(CC(C)(C)C)s4)CC3=O)c2c1 21785362 NLPZPRZGAHPSHZ-MRXNPFEDSA-N 439.585 3.946 0 40 IHAB O=C(NCc1ccccc1)c1cccc(OS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 23862941 MDRYXYNPRMQFKK-UHFFFAOYSA-N 439.489 3.546 0 40 IHAB CC1=C(C(=O)N(C)C)[C@H](c2ccc(Cl)cc2)NC(=S)N1c1ccc2c(c1)OCCO2 24926121 USQZNTMOARPSHK-FQEVSTJZSA-N 443.956 3.909 0 40 IHAB C[C@@H](NC(=O)CNC(=O)c1ccccc1I)c1ccc(Cl)cc1 24979885 LFRFHNLPXYDPMI-LLVKDONJSA-N 442.684 3.552 0 40 IHAB Cc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 25955146 COIAXPYJKZRHEZ-UHFFFAOYSA-N 425.492 3.588 0 40 IHAB CCOC(=O)N1CCC(NC(=O)/C=C/c2ccc(OCc3csc(C)n3)cc2)CC1 32906346 BGVZXXWIOBLAOE-RMKNXTFCSA-N 429.542 3.781 0 40 IHAB COCCn1nnnc1[C@H](c1ccccc1Cl)N1CCN(c2cc(C)ccc2C)CC1 35290573 KUONGTZORWTSLS-QFIPXVFZSA-N 440.979 3.501 0 40 IHAB O=C(NC(c1ccccc1)c1ccccc1)C1CCN(c2nnnn2-c2ccccc2)CC1 35312887 NKUDEUVKSLLLBC-UHFFFAOYSA-N 438.535 3.785 0 40 IHAB CC(=O)N1CCN(CC(=O)N2N=C(c3ccc4ccccc4c3)C[C@@H]2c2ccccc2)CC1 35503991 CYPYKMBACRDNPI-AREMUKBSSA-N 440.547 3.682 0 40 IHAB O=C(NCC1(N2CCOCC2)CCCCC1)c1nccnc1-c1nc2ccccc2s1 40009633 TWHDFXWBUBSZRD-UHFFFAOYSA-N 437.569 3.518 0 40 IHAB COc1ccc(OC)c(CN2CCN(C(=O)CCC(=O)c3cc(C)sc3C)CC2)c1 40160807 NCVQPFZWEAVUGU-UHFFFAOYSA-N 430.570 3.689 0 40 IHAB CCOc1ccc([C@H]2C(C(=O)Nc3cc(C)ccc3OC)=C(C)Nc3ncnn32)cc1OC 40484512 CCOLZLNTVRRAAD-QFIPXVFZSA-N 449.511 3.930 0 40 IHAB CCCOc1ccc(-c2nc3s/c(=C/c4ccc(Br)cc4)c(=O)n3n2)cc1 40488428 OEXFSLYYRLSIQY-SFQUDFHCSA-N 442.338 3.917 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)COc1ccc(C(C)(C)C)cc1 44904983 LNJDFPCMGATVHW-UHFFFAOYSA-N 446.569 3.795 0 40 IHAB C[C@@H](C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1)N1CCc2ccccc21 48324004 WRVBZDRPIZVOMI-HNNXBMFYSA-N 432.351 3.729 0 40 IHAB CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCCN1S(=O)(=O)c1ccc(F)c(F)c1 58159343 CYRFGKKHCYASGZ-QZTJIDSGSA-N 430.517 3.908 0 40 IHAB COc1ccc(OC)c(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)c1 68935484 BDMWSTRAVXIFSI-UHFFFAOYSA-N 430.457 3.896 0 40 IHAB CCCCN1C(=O)C[C@H](C(=O)Nc2cnc3c(c2)c(C)nn3C)[C@@H]1c1ccc(OC)cc1 71794098 ZJGFJJRUBCKMMC-UNMCSNQZSA-N 435.528 3.614 0 40 IHAB Cc1c(C)n(C2CCCC2)c2ncnc(OC3CCN(CC(=O)NCC(C)C)CC3)c12 72336993 NFMNLIWHQNRCES-UHFFFAOYSA-N 427.593 3.779 0 40 IHAB O[C@@]1(c2cccnc2)CCCN(c2ncc(-c3cnccn3)c(-c3cccs3)n2)CC1 72338731 BWNMKQHRBWRWPF-QHCPKHFHSA-N 430.537 3.935 0 40 IHAB COc1ccccc1CN(Cc1cccs1)Cc1nnc2n(C)c(=O)c3ccccc3n12 84297871 MSUOQZWBDLKGKR-UHFFFAOYSA-N 445.548 3.854 0 40 IHAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CC[C@H](N(C)Cc3noc(C4CC4)n3)C2)c1 95457979 SFDOVMSGUQQGEW-MJGOQNOKSA-N 426.561 3.879 0 40 IHAB O=C(O)CN1C(=O)/C(=C/c2cc3ccccc3nc2N2CCCCC2)c2ccccc2C1=O 96884115 AZDRDMGGXINYOD-RCCKNPSSSA-N 441.487 3.833 0 40 IHAB COc1ccc(C(=O)COc2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H]([C@H]6C[C@H]56)[C@H]4C3=O)cc2)cc1 100638023 SYUJAWVNBGZCNK-DRRJAYDASA-N 429.472 3.514 0 40 IHAB CCc1cc(=O)oc2cc(O[C@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)c(Cl)cc12 100767798 PRJMUHABANULGT-NFAWXSAZSA-N 435.904 3.783 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3cccc4ccccc34)C2)cc1 201526463 KNCYSZHUJSGXOX-FQEVSTJZSA-N 438.549 3.566 0 40 IHAB COc1ccccc1-c1cc(C(=O)N[C@H]2CCN(c3ccc(C(F)(F)F)cn3)C2)[nH]n1 206789268 RDGQBTGJGZGRAU-AWEZNQCLSA-N 431.418 3.508 0 40 IHAB O=C(Cc1ccc(Br)cc1)N1CCC[C@@H](S(=O)(=O)c2ccc(F)cc2)C1 207983704 DFTFGOAAGBIPMF-GOSISDBHSA-N 440.334 3.596 0 40 IHAB CC[C@@H](C(=O)NCc1cccc(OC(C)C)c1)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220574675 NWTZAKWGBOFTSR-QFIPXVFZSA-N 432.586 3.952 0 40 IHAB COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)c1 222569107 TXRHOQNBWMMYPQ-UHFFFAOYSA-N 436.917 3.617 0 40 IHAB CSc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)cc1 222776176 GOIMUQLCLRHNHM-LJQANCHMSA-N 448.610 3.756 0 40 IHAB CC(C)c1ccccc1N(CC(=O)NCCOc1ccc2ccccc2c1)S(C)(=O)=O 223617879 QSQJDGJUXFCBIT-UHFFFAOYSA-N 440.565 3.924 0 40 IHAB COC(=O)c1cc(S(=O)(=O)NCCOc2ccccc2C(C)(C)C)ccc1Cl 223733651 KZCQGJMSYQWHBQ-UHFFFAOYSA-N 425.934 3.781 0 40 IHAB Cc1ccc(OCCNC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1C 223788903 CKQRZONKYIDNDV-UHFFFAOYSA-N 445.368 3.571 0 40 IHAB CN(C)S(=O)(=O)N(Cc1ccc(C(=O)NCC2=CCCCC2)cc1)c1ccccc1F 224193586 XVQGVFKYPHGDEZ-UHFFFAOYSA-N 445.560 3.869 0 40 IHAB CC1CCN(S(=O)(=O)c2cccc(C(=O)Nc3nnc(SC(C)C)s3)c2)CC1 225217331 NYPCMJKELHVVNW-UHFFFAOYSA-N 440.616 3.712 0 40 IHAB CCn1c(=O)sc2cc(S(=O)(=O)Nc3ccc(C(=O)N4CCCCC4)cc3)ccc21 225698565 DYJHTGCYSVBAKL-UHFFFAOYSA-N 445.566 3.510 0 40 IHAB Cc1nc([C@H]2CCCN(Cc3ccccc3Cl)C2)nc(C)c1CC(=O)N1CCOCC1 257274794 NMRLYZYYQMVEKO-FQEVSTJZSA-N 442.991 3.528 0 40 IHAB O=C1N(CCc2ccccc2)CC=CC[C@]12CN(Cc1ccnc3ccccc13)CCO2 257298595 RMJZNFQWLMHTGE-MHZLTWQESA-N 427.548 3.837 0 40 IHAB CCN1CCN(C(=O)c2cccc(O)n2)C[C@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 257340258 ZFFYJXFTOBCAQE-FQEVSTJZSA-N 447.510 3.757 0 40 IHAB COc1ccc(CN2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccsc2)C3=O)cc1 306134051 NCOCXCUXDLXISR-UKILVPOCSA-N 449.576 3.549 0 40 IHAB O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1Cl)NCCc1ccccc1 408597274 YHJMLAZUEKNNSQ-UHFFFAOYSA-N 444.940 3.879 0 40 IHAB COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1C(=O)N1CCCC1 408693171 JWEIFWOIJJHZDY-UHFFFAOYSA-N 428.432 3.751 0 40 IHAB CCCCNC(=O)c1ccccc1NC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 408705269 AUEMXUWCHSTTAJ-UHFFFAOYSA-N 449.548 3.541 0 40 IHAB C[C@H]1CN(c2ccc(CNC(=O)NC3(c4ccc(F)cc4F)CCCC3)cn2)CCO1 534114651 RSUDLVDCSBLWMV-INIZCTEOSA-N 430.499 3.854 0 40 IHAB CCOCCCNC(=O)[C@@H](Cc1ccnc2ccccc12)NC(=O)C1CCC(C)CC1 1505840676 OSKYNIOWRMAQPK-MTNXOHHFSA-N 425.573 3.631 0 40 IHAB COc1ccc(CN(Cc2nc3ccccc3c(=O)[nH]2)C(=O)c2cccc(OC)c2)cc1 1359102 LDYVHORNZLYYQH-UHFFFAOYSA-N 429.476 3.783 0 40 IHAB COc1ccc(OCC(=O)Nc2cc(-c3nn(C)c(=O)c4ccccc34)ccc2OC)cc1 2231042 FTWWXBRJAWFLBD-UHFFFAOYSA-N 445.475 3.635 0 40 IHAB COc1ccc(CCNC(=O)c2c(N)n(Cc3ccco3)c3nc4ccccc4nc23)cc1 2287745 UAZBOUZGKYOZOL-UHFFFAOYSA-N 441.491 3.789 0 40 IHAB COc1ccc(-c2nnc3sc(-c4cc(OC)c(OC)cc4OC)nn23)cc1OC 2374672 RUGVLFOCRXGZSX-UHFFFAOYSA-N 428.470 3.563 0 40 IHAB COc1cc2c(cc1NC(=O)CSc1nnc(-c3cnccn3)n1C)oc1ccccc12 2375916 HMSZGIABLCEURY-UHFFFAOYSA-N 446.492 3.911 0 40 IHAB C[C@@H](NC(=O)CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O)c1ccccc1 2649666 BPVNUGGHFHDKNR-BCHFMIIMSA-N 427.504 3.554 0 40 IHAB O=C(C(=O)N1CCCc2ccccc21)c1cn(CC(=O)N2CCCCC2)c2ccccc12 3015391 BKQGGOGLTANGAL-UHFFFAOYSA-N 429.520 3.816 0 40 IHAB COc1ccc(C)cc1NC(=O)COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 3331725 HEDUIPHJHHWJFP-UHFFFAOYSA-N 444.443 3.600 0 40 IHAB C[C@@H](NC(=O)CSc1nnc(CN2CCCCC2)n1-c1ccccc1)c1ccco1 7318729 PGKQFYPUXDIOAN-QGZVFWFLSA-N 425.558 3.816 0 40 IHAB C[C@H](NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)c1ccc(-c2ccccc2)cc1 8890614 BDMKSAKDDQRWGD-MYUZEXMDSA-N 439.515 3.924 0 40 IHAB CCCCc1ccc(-n2c(-c3cccs3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1 9158098 MJTWIYXKFZOYKO-UHFFFAOYSA-N 433.537 3.747 0 40 IHAB COc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)Nc3ccccc3)CC2=O)cc1 9234672 HBXROXJGSAIWTE-KRWDZBQOSA-N 429.476 3.939 0 40 IHAB CCOC(=O)C1=C(C)Oc2ncn3nc(-c4ccccn4)nc3c2[C@H]1c1ccc(OC)cc1 9348151 KBLQDQZPOWBJLB-IBGZPJMESA-N 443.463 3.556 0 40 IHAB CCOc1ccc(-c2nc(COC(=O)CNC(=O)c3cccc(F)c3)cs2)cc1OC 9386919 XJQOWGNOHQUNIZ-UHFFFAOYSA-N 444.484 3.830 0 40 IHAB Cc1ccc(Cn2c(SCC(=O)Nc3cccc(C)c3)nc3nccnc3c2=O)cc1 9405384 YDPGNTLFDKFGFG-UHFFFAOYSA-N 431.521 3.582 0 40 IHAB CC(=O)c1cccc(N2C(SCCCc3ccccc3)=N[C@@H]3CS(=O)(=O)C[C@H]32)c1 9418954 JNMHSYPRJSCPLO-NHCUHLMSSA-N 428.579 3.597 0 40 IHAB CCN(C(=O)CSc1nnc(N2CCOCC2)n1-c1cccc(C)c1)C1CCCCC1 9726095 AJJICEZVGWZWGB-UHFFFAOYSA-N 443.617 3.686 0 40 IHAB CCOc1ccc(C(=O)Oc2coc(CSc3ncccn3)cc2=O)cc1OCC 9829219 GAAVSPVAUSFXKE-UHFFFAOYSA-N 428.466 3.739 0 40 IHAB CCCc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@@H](c3cccs3)C(C)C)C2=O)cc1 10930808 IXQCNKRIAJHQNZ-OFNKIYASSA-N 427.570 3.981 0 40 IHAB O=C(Nc1ccc(I)cc1)[C@H]1CCCN1c1ncnc2ccccc12 11247079 VWHITTZYOQJAIZ-QGZVFWFLSA-N 444.276 3.842 0 40 IHAB O=C(CSc1ncn(-c2ccccc2)n1)Nc1cccc(I)c1 11475632 BHEWVLPZNFNIAK-UHFFFAOYSA-N 436.278 3.603 0 40 IHAB CN(C)CCCN(C(=O)c1ccc2c(c1)OCCO2)c1nc2c(F)cc(F)cc2s1 12141022 LULSYDIQDTZJTK-UHFFFAOYSA-N 433.480 3.944 0 40 IHAB O=C(Cc1c(Cl)cccc1Cl)N1CCC2(CC1)C[C@@](O)(c1nccs1)CO2 12184358 HTIMBBZCLYJADQ-IBGZPJMESA-N 427.353 3.662 0 40 IHAB O=C(Cn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O)Nc1ccccc1C(F)(F)F 12237695 SKYSEEJDVOWNJG-UHFFFAOYSA-N 447.804 3.893 0 40 IHAB O=C(NCc1ccc(CN2CCOCC2)cc1)c1nc(-c2ccc(C(F)(F)F)cc2)no1 12429217 FWPGEGYJVJZEQR-UHFFFAOYSA-N 446.429 3.518 0 40 IHAB CC(C)[C@H](NC(=O)C1CCN(C(=O)OCC(F)(F)F)CC1)c1nc2ccccc2[nH]1 12628719 SLPVGHWVAPHHQE-INIZCTEOSA-N 426.439 3.787 0 40 IHAB CC(C)CCN1C(=O)c2ccc(C(=O)N(C)CC(=O)Nc3ccccc3Cl)cc2C1=O 12787826 FIBQPMZAOSEVQW-UHFFFAOYSA-N 441.915 3.693 0 40 IHAB COc1ccc([C@H](C)NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1F 12790671 IBFJXEPVTHLZHJ-LBPRGKRZSA-N 429.517 3.821 0 40 IHAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)O[C@@H](C)C(=O)Nc1ccc(F)cc1Cl)(C3)C2 13148987 JKYBZCXUAMSLEM-PPFFJVLGSA-N 436.911 3.824 0 40 IHAB CCCCN(C(=O)CNC(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1ccc(F)cc1 13506583 NQMBBAANGIIRJY-JOCHJYFZSA-N 443.519 3.577 0 40 IHAB Cc1ccccc1CSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1ccc2c(c1)OCO2 13567488 AKASCGHQHXKENY-INIZCTEOSA-N 435.505 3.584 0 40 IHAB COc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1ccc(Br)o1 14291280 AFSLXOBCTLYXAC-UHFFFAOYSA-N 434.275 3.778 0 40 IHAB COC(=O)c1cc(=O)n(Cc2ccc(OC)cc2)/c(=N/c2ccc(F)c(Cl)c2)s1 15320127 ZKUCDTSZPYHXDJ-ATJXCDBQSA-N 434.876 3.778 0 40 IHAB Cc1cccc(NC(=O)CSCC(=O)Nc2cc(Cl)ccc2N2CCN(C)CC2)c1 15940832 ZWFDFVHCQGZZQC-UHFFFAOYSA-N 447.004 3.711 0 40 IHAB O=C(Cc1csc(COc2ccc(Cl)cc2)n1)Nc1ccc(-n2cnnn2)cc1 16707645 HOTXUFCFAZIPBR-UHFFFAOYSA-N 426.889 3.532 0 40 IHAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)COC(=O)CCCc1c[nH]c2ccccc12 18189433 JUSLQBNBWSKAAL-UHFFFAOYSA-N 435.524 3.748 0 40 IHAB CCN1C[C@H](C(=O)NCc2ccc(-c3nc(C(C)C)ncc3-c3cc(C)no3)cc2)CC1=O 19526984 ZCVIEPXWOORYCY-LJQANCHMSA-N 447.539 3.715 0 40 IHAB COc1ccc(-c2cc([C@@H]3CCN(Cc4ccc(OC)c(CO)c4)C3)nc(N(C)C)n2)cc1 19585115 NXCHNBNKSPEYCX-HXUWFJFHSA-N 448.567 3.709 0 40 IHAB COc1cccc(CN2CC=CC[C@H](C3CCN(Cc4cccnc4N(C)C)CC3)C2=O)c1 19698493 IVXIPCQOXBTKHL-RUZDIDTESA-N 448.611 3.973 0 40 IHAB Cc1nc(CC(=O)N2CCC(c3ccc(C(=O)Nc4nccs4)cn3)CC2)cs1 19705871 WYHKRXBAFVSDDM-UHFFFAOYSA-N 427.555 3.504 0 40 IHAB Cn1cnc2ccc(NC(=O)c3ccc([C@H]4CCCN(Cc5ccccn5)C4)nc3)cc21 19706075 TYQQYBGBWATDIK-IBGZPJMESA-N 426.524 3.995 0 40 IHAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 20107305 LBRSNUTUAAMVRR-SIKLNZKXSA-N 426.582 3.639 0 40 IHAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)cc1Cl 20493406 ILGKQTLDZLLRFF-UHFFFAOYSA-N 436.917 3.753 0 40 IHAB COc1ccc(-n2ncc3c2N=C(O)C[C@@]32C(=O)Nc3ccc(Br)cc32)cc1 20728528 CXQKESBJQKLVMM-FQEVSTJZSA-N 439.269 3.873 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 23041086 GDTSSPUNBCPCAH-UHFFFAOYSA-N 426.460 3.551 0 40 IHAB O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCCN(c2ccc(-c3ccc(F)cc3)nn2)C1 23142842 BJGZYVUEGRAIHZ-GOSISDBHSA-N 434.471 3.544 0 40 IHAB O=C(/C=C/c1ccc(F)cc1)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 24496892 RSMGKFYENOXFMG-XCVCLJGOSA-N 426.879 3.887 0 40 IHAB Cc1ccc(CNC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1 27570177 CXOYLVYXRHAJAY-UHFFFAOYSA-N 434.867 3.750 0 40 IHAB Cc1cc2oc(C(=O)NC[C@@H](c3cccs3)N3CCOCC3)cc(=O)c2cc1Cl 28289059 ZAULOWIMIIVQNU-INIZCTEOSA-N 432.929 3.620 0 40 IHAB Cc1cc(NC(=O)COC(=O)CCc2nnc(-c3ccccc3)o2)n(-c2ccccc2C)n1 29513393 PKJFTDKNWJKBSH-UHFFFAOYSA-N 445.479 3.654 0 40 IHAB Cc1cc(N2CCCC2)ccc1NC(=O)COC(=O)[C@H](NC(=O)c1ccccc1)C(C)C 32745114 ZCSOHTBUGBVCLK-HSZRJFAPSA-N 437.540 3.532 0 40 IHAB COc1ccc(NC(=O)[C@@H]2Sc3nc(O)sc3[C@@H]3c4ccccc4OC(=O)[C@H]32)cc1 35053020 HAZYMJSCSVRNRK-BZUAXINKSA-N 440.502 3.637 0 40 IHAB O=C(NCc1ccccc1)[C@@H](c1ccncc1)N(Cc1ccco1)C(=O)c1ccccn1 35310913 NTNHGFOKLGXARG-HSZRJFAPSA-N 426.476 3.770 0 40 IHAB CCOC(=O)C1=C(CN2CCCc3cc(F)cc(F)c32)NC(=O)N[C@@H]1c1ccccc1 36754249 MDMKFNKQMPWEIM-HXUWFJFHSA-N 427.451 3.589 0 40 IHAB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc(-c2nc(C)no2)cc1 40050993 CRAIVFSTSHBOJT-UHFFFAOYSA-N 432.402 3.953 0 40 IHAB O=C(CNc1cccc(S(=O)(=O)N2CCCCCC2)c1)N[C@@H]1CCCc2ccccc21 40160622 SXRWYPFCKAYQES-HSZRJFAPSA-N 441.597 3.857 0 40 IHAB Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4cccc(Cl)c4)[nH]c(=O)c32)cc1C 40399346 AABKLWQSTDYLPN-INIZCTEOSA-N 437.887 3.848 0 40 IHAB Cc1cc2nc(COC(=O)c3ccc(C)c(NC(=O)/C=C/c4ccccc4)c3)cc(=O)n2o1 41089578 FCMAVTWKGCXWQT-PKNBQFBNSA-N 443.459 3.913 0 40 IHAB CCOC(=O)c1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1Cl 44844036 LOWUXCRZSSUCBN-UHFFFAOYSA-N 431.297 3.794 0 40 IHAB CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 48362716 ZMHPQEBESKQQLH-INIZCTEOSA-N 433.430 3.694 0 40 IHAB CC(C)C[C@@H]1N[C@H](C(=O)N2CCOCC2)Cc2cn(Cc3cccnc3)c3cccc1c23 49171595 BVOCKNHUANEGDC-GOTSBHOMSA-N 432.568 3.545 0 40 IHAB biogenic,in-vitro Cc1cccc(C)c1NC(=O)Cn1c(=O)n(Cc2ccccc2F)c(=O)c2sccc21 57426749 RLQXRLRVGFGFDN-UHFFFAOYSA-N 437.496 3.668 0 40 IHAB Cc1ccc(NC(=O)Cn2cnc3nc(N4CCC[C@@H](C)C4)sc3c2=O)c(Cl)c1 67226178 AZWYWPCHZABHDT-CYBMUJFWSA-N 431.949 3.690 0 40 IHAB CCc1ccc(NC(=O)Cn2c(-c3ccc(Cl)cc3)nc(C)c(CCO)c2=O)cc1 67300479 FMFGWCQSLDFCDL-UHFFFAOYSA-N 425.916 3.608 0 40 IHAB C[C@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)NC(=O)Cn1ccc(=O)c2ccccc21 72277533 BEHAZINAVGTMRF-XDHUDOTRSA-N 427.545 3.591 0 40 IHAB Cc1ccccc1C(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3ccc(F)cc3)[C@@H]2CO)cc1 72321421 AAHLRCAHABAEIT-ILBGXUMGSA-N 448.494 3.847 0 40 IHAB biogenic,in-vitro Cc1cccc(CC(=O)N2CCO[C@](Cc3ccc(-c4cccs4)cc3)(C(N)=O)C2)c1 72389216 XHYNBLFEHRMSGA-VWLOTQADSA-N 434.561 3.592 0 40 IHAB CCNC(=O)[C@]1(Cc2cc(-c3ccc(C)cc3)no2)CCCN(C(=O)c2cccnc2)C1 72395996 IMCTXGXNSQOVFF-VWLOTQADSA-N 432.524 3.646 0 40 IHAB Cc1cc(=O)c(O)c(CN2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)n1C 79479471 HCHJLTDUJRGAGV-XMMPIXPASA-N 437.971 3.960 0 40 IHAB COc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c(OC)c1OC 83937319 QXEWJCLPMBYXBH-OAHLLOKOSA-N 432.904 3.857 0 40 IHAB CCC1CCC2(CC1)NC(=O)N(CC(=O)N1CCC(c3c[nH]c4ccccc34)CC1)C2=O 84735458 AIRBDZQUKDCQLD-UHFFFAOYSA-N 436.556 3.765 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(-c4ccccc4)cc3)CC2)cc1 89638993 JAHUCUXSSGQHNE-UHFFFAOYSA-N 449.576 3.607 0 40 IHAB O=C(CCc1cc2ccccc2[nH]c1=O)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1 95453442 PBBBGQJIRZVHJT-UHFFFAOYSA-N 438.487 3.697 0 40 IHAB CC(C)C[C@@H](NC(=O)Nc1cccc(N2CCC(C)CC2)c1)c1nc(-c2nc[nH]n2)no1 95469277 RAXWVYSAZPSWQW-GOSISDBHSA-N 438.536 4.000 0 40 IHAB COC(=O)c1nc(NC(=O)[C@H](NC(=O)c2cccnc2)c2ccccc2)sc1C(C)C 95480549 ZKFCZUUGHPELRO-MRXNPFEDSA-N 438.509 3.558 0 40 IHAB O=C(NC[C@H]1O[C@H](Cc2cc(-c3ccc(F)cc3)on2)CC[C@@H]1O)c1ccc(F)cc1 96268971 FZISPELVYDQIRU-JAXLGGSGSA-N 428.435 3.501 0 40 IHAB biogenic,in-vitro O=C(c1cccc(-c2cc3ccccc3oc2=O)c1)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 101658297 XMYMUEJXVCUOMX-UWJYYQICSA-N 438.483 3.881 0 40 IHAB O=C(c1ccc(-c2ccccc2)cc1)[C@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2C=CC=NN21 104272290 KQSZOQSYWIEUIS-ZGFBMJKBSA-N 447.494 3.951 0 40 IHAB CC[C@@H](NC(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O)c1ccc(OC)cc1 113967588 PDMSVVZCLNWAHD-OAQYLSRUSA-N 434.558 3.518 0 40 IHAB CCCOC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccccc2CC)cc1 138965259 NFAAILLHPPEASX-UHFFFAOYSA-N 440.496 3.716 0 40 IHAB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccccc3)c(OC)c2)C1=O 205689680 DHXDXBOSSCIHNE-XDHOZWIPSA-N 427.478 3.874 0 40 IHAB CCc1ccc(N([C@H](C)C(=O)Nc2cccc(Br)c2)S(C)(=O)=O)cc1 220262606 CALGJPCLXLDDTM-CYBMUJFWSA-N 425.348 3.805 0 40 IHAB CCOC(=O)c1ccc(C)c(NC(=O)[C@H](CC)N(c2cccc(C)c2)S(C)(=O)=O)c1 220518649 QFDBXIHHMUJDOI-FQEVSTJZSA-N 432.542 3.663 0 40 IHAB O=C(NCc1cccc2ccccc12)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 222869128 CFMPBWURJLSSAI-UHFFFAOYSA-N 440.540 3.837 0 40 IHAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3ccc4c(c3)CCC4)CC2)c1 223213946 IGNNZNOXKSIMQP-IBGZPJMESA-N 440.609 3.903 0 40 IHAB CC[C@H](C(=O)Nc1nnc(SCC(C)C)s1)N(c1ccc(C)cc1)S(C)(=O)=O 223242124 NOGVWDGYDLJNTN-OAHLLOKOSA-N 442.632 3.778 0 40 IHAB COc1ccccc1CNC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2F)c1 224153986 IMQOOISYYIVZRT-UHFFFAOYSA-N 428.485 3.589 0 40 IHAB COc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1COc1ccc(C)c(C)c1 224292620 TYCQTAVKPRBORB-UHFFFAOYSA-N 440.521 3.791 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCCc1ccc(F)cc1)c1cccc(C(F)(F)F)c1 224714430 MMAFJUTZHZQAQE-UHFFFAOYSA-N 446.466 3.750 0 40 IHAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1cc(OC)cc(OC)c1 225119238 BLJNPMWLBWIHFZ-OALUTQOASA-N 442.556 3.723 0 40 IHAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)N[C@@H](C)c3ccc(C)cc3C)s2)cc1 225624353 JNRKXFXYMANKEY-HNNXBMFYSA-N 430.555 3.755 0 40 IHAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H](O)[C@@H](O)C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 244970301 HSENALUPARAQJF-KULDPHIESA-N 426.594 3.716 0 40 IHAB CN(C)C(=O)C1(Cc2ccccc2-c2cccnc2)CCN(C(=O)c2cccnc2)CC1 257209034 BORZHXNRYKFCQW-UHFFFAOYSA-N 428.536 3.697 0 40 IHAB C[C@H]1CCCN(c2cc(Oc3ccccc3)nc(NC(=S)NC[C@H]3CCCO3)n2)C1 260717611 OMYUXQFWZQPFAV-FUHWJXTLSA-N 427.574 3.971 0 40 IHAB CS(=O)(=O)N(CC(=O)NCCSC1CCCCC1)c1cccc(Cl)c1Cl 409028340 LJZRVPCCJNKJQY-UHFFFAOYSA-N 439.430 3.942 0 40 IHAB COc1cc(C(=S)N2CCC(C(N)=O)CC2)ccc1OCc1c(F)cccc1Cl 409196974 YPDNCRQSZKAECR-UHFFFAOYSA-N 436.936 3.940 0 40 IHAB CCCN1C(=O)S/C(=C/c2cc(I)c(OC)c(OC)c2)C1=O 409236883 HSTOCQSRYLDXGG-XYOKQWHBSA-N 433.267 3.755 0 40 IHAB COc1ccc(C(=O)c2ccccc2C(=O)NCCNC(=O)c2ccc(C)c(F)c2)cc1 511966426 ASWVZVCNUKMGDM-UHFFFAOYSA-N 434.467 3.534 0 40 IHAB CC(C)n1nc(-c2ccco2)cc1NC(=O)C1(S(=O)(=O)c2ccccc2)CCOCC1 580120688 ADXWAPQVCFATOR-UHFFFAOYSA-N 443.525 3.686 0 40 IHAB O=C(NCCc1ccc(-c2ccsc2)s1)C(=O)Nc1cccc(N2CCCC2=O)c1 585148082 OMRJYXBKXQTHOQ-UHFFFAOYSA-N 439.562 3.901 0 40 IHAB Cc1nc(C)n(CC(=O)N2Cc3ccccc3NCC[C@H]3CC[C@@H](C2)N3CCC(C)C)n1 643567759 VAPOTZBUJNBZIX-PKTZIBPZSA-N 438.620 3.618 0 40 IHAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CN1CC(=O)Oc2ccccc21 938299 JXYUQFSQDHKICY-UHFFFAOYSA-N 436.489 3.956 0 40 IHAB CCOC(=O)c1c(NC(=O)Cn2cnc3sc(CC)cc3c2=O)sc2c1CCCC2 958870 FSXCMBKQVPBTMA-UHFFFAOYSA-N 445.566 3.776 0 40 IHAB COc1ccc(N(CC(=O)Nc2ccc(C)cc2)S(=O)(=O)c2ccccc2)c(OC)c1 1055418 NTPFFAGBANHCGN-UHFFFAOYSA-N 440.521 3.846 0 40 IHAB O=C(Nc1ccc(-c2ccccc2)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 3559605 SWSAMPHZPGPENC-UHFFFAOYSA-N 440.496 3.766 0 40 IHAB Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc(N4CCOCC4)cc3)o2)cc1 6245595 HWHMOGVWGKIRLR-UHFFFAOYSA-N 440.525 3.524 0 40 IHAB COc1cc(C(=O)NC(=S)Nc2ccc(CN3CCCCC3)cc2)cc(OC)c1OC 6288998 IGFJSSZXUDOADC-UHFFFAOYSA-N 443.569 3.825 0 40 IHAB Cc1cc(C(=O)COC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)c(C)n1C[C@H]1CCCO1 8713715 UZHBCLZOZGECHE-NVXWUHKLSA-N 442.537 3.756 0 40 IHAB CCc1sc(-c2nnc(COC(=O)CN3C(=O)CSc4ccccc43)o2)cc1C 8748872 JCGTWLSPQZLSPI-UHFFFAOYSA-N 429.523 3.851 0 40 IHAB CC(C)Sc1nc(N2CCCC2)c2cnn(CCNC(=O)c3ccc(F)cc3F)c2n1 8797885 JEGAUOUDEGYJKD-UHFFFAOYSA-N 446.527 3.635 0 40 IHAB CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)[C@H]1CC(=O)N(C2CCCC2)C1 8878083 MOUXCHDFJJVLRM-LBPRGKRZSA-N 445.869 3.547 0 40 IHAB O=C(Nc1nc(-c2cccs2)cs1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 8895560 AATYVJNCGZTESZ-HNNXBMFYSA-N 437.543 3.803 0 40 IHAB CCOC(=O)[C@H](NC(=O)Cc1ccccc1)[C@@H](OC(=O)Cc1ccccc1)c1ccccc1 8917755 QIKMZCUNAXHQOA-FTJBHMTQSA-N 445.515 3.804 0 40 IHAB biogenic CCCN1C(=O)[C@](O)(CC(=O)c2ccc(OC)cc2OC)c2cc(Br)ccc21 8920203 YIHJTZSDKPUKON-NRFANRHFSA-N 448.313 3.684 0 40 IHAB COCCn1c(SCC(=O)NCc2ccc(F)cc2)nnc1-c1ccc(Cl)cc1 9119323 DHBGJPIQUWPSRZ-UHFFFAOYSA-N 434.924 3.793 0 40 IHAB CN(C)S(=O)(=O)c1ccc(SCC(=O)N(c2ccccc2)C2CCCCC2)nc1 9126558 QYNMLFSKNCFZBK-UHFFFAOYSA-N 433.599 3.790 0 40 IHAB CCCCN1C(=O)C[C@H](C(=O)Nc2cccc(C(=O)NC3CC3)c2)[C@@H]1c1ccc(OC)cc1 9217512 ZJRZDRBOXOMUOS-UPVQGACJSA-N 449.551 3.916 0 40 IHAB COc1ccccc1N1CCN(C(=O)c2ccc(-n3nncc3-c3ccccc3)cc2)CC1 9635527 RUMQBOGVTXYEIX-UHFFFAOYSA-N 439.519 3.905 0 40 IHAB O=S(=O)(NCCOc1ccc(-c2ccc(F)cc2)nn1)c1ccc2c(c1)CCCC2 9852920 UAOBUGZVLZGBJZ-UHFFFAOYSA-N 427.501 3.519 0 40 IHAB Cc1ccc(Cl)c(OCC(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c1 10214943 TUZUXOHLBDKYAC-UHFFFAOYSA-N 430.888 3.633 0 40 IHAB COc1ccc(-n2nc3c(c2NC(=O)C(=O)NCCC2=CCCCC2)CSC3)cc1 10220897 FAAGPBVLLOIQSN-UHFFFAOYSA-N 426.542 3.573 0 40 IHAB C[C@@H](NC(=O)c1ccccc1NC(=O)c1cccc(NS(C)(=O)=O)c1)c1ccccc1 10314960 BKXLYRMVQKMSSD-MRXNPFEDSA-N 437.521 3.801 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCC[C@@H](C)C2)c2ccc(F)cc2)cc1 10541571 YMVFDTJAOZPRBZ-QGZVFWFLSA-N 434.533 3.678 0 40 IHAB Cc1cc(OS(=O)(=O)c2ccc(C(=O)O)cc2)n(-c2ccc(Cl)cc2Cl)n1 11691507 VMPIFBFIMNNTJF-UHFFFAOYSA-N 427.265 3.953 0 40 IHAB COC(=O)[C@@]1(C(F)(F)F)N=C2Sc3cc(Cl)ccc3N2C(N2CCCCC2)=N1 12417417 LZGGEGWUPXOOJP-INIZCTEOSA-N 432.855 3.895 0 40 IHAB Cc1ccc(-c2noc([C@@H]3C[C@H](NS(=O)(=O)c4ccc5ccccc5c4)CN3C)n2)cc1 12529761 HCRVGFJHNOJULH-UNMCSNQZSA-N 448.548 3.922 0 40 IHAB biogenic,in-vitro O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)NCCOc1ccc(Cl)cc1 12775298 PSCPNIWDVVVFGT-UHFFFAOYSA-N 431.945 3.645 0 40 IHAB CC(C)(C)NC(=O)CNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1 12784650 BPEYXGFBTIIZQS-UHFFFAOYSA-N 441.535 3.791 0 40 IHAB COCCCN1C(=O)c2ccc(C(=O)Nc3nc(-c4ccc(F)cc4)cs3)cc2C1=O 12809187 IUJVOQHUQKFEEA-UHFFFAOYSA-N 439.468 3.834 0 40 IHAB COc1cc(Br)c(CC(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1OC 12911229 GUFYBAPOYPYJKV-INIZCTEOSA-N 437.334 3.555 0 40 IHAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Oc3ccc(C(=O)c4ccccc4)cc3)C2=O)cc1 13075534 XYSGRIRWGFIGLN-SANMLTNESA-N 442.471 3.599 0 40 IHAB Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)S(=O)(=O)c2ccc(Cl)s2)c1C 13101724 VRDZOQQLRHKNOJ-HNNXBMFYSA-N 442.990 3.827 0 40 IHAB COc1ccc(OC)c(-c2ccc(N3CCN(C(=O)c4cccc(Cl)c4)CC3)nn2)c1 13659175 VTMWQWQOGQENER-UHFFFAOYSA-N 438.915 3.777 0 40 IHAB CC(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)c1 14094790 DHTYOHWEEDLCAH-HZPDHXFCSA-N 429.542 3.564 0 40 IHAB COCc1nn2c3c(nnc2c1-c1ccccc1OC)C(=O)C[C@H](c1ccccc1O)C3 14607751 BHTVXHPQTPOBHT-CQSZACIVSA-N 430.464 3.565 0 40 IHAB Cc1nc(COc2ccc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2)no1 14706677 BGNNSMPUVVOBTG-UHFFFAOYSA-N 446.429 3.938 0 40 IHAB CCOc1ccc(C(=O)NC[C@@H](c2ccco2)S(=O)(=O)c2ccc(OC)cc2)cc1 15781178 WKEMKHIQUPASGX-NRFANRHFSA-N 429.494 3.632 0 40 IHAB O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl 15858290 VXGASFGBVLYFKE-UHFFFAOYSA-N 447.944 3.649 0 40 IHAB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@@H]2CCCN21 15996504 YPCHADOSNDGCAG-NBCVKUGOSA-N 437.499 3.579 0 40 IHAB COc1ccccc1CNC(=O)Cc1csc(NC(=O)Nc2ccccc2OC)n1 16047510 ZDVMNCRTUFXKDP-UHFFFAOYSA-N 426.498 3.663 0 40 IHAB CCC(CC)C(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3ccco3)co2)s1 16047904 VBRVZBGFPFZFEL-UHFFFAOYSA-N 449.510 3.971 0 40 IHAB Cc1cc(-c2cnc(N3CCC(C)CC3)nc2C2CCN(C(=O)c3c[nH]nc3C)CC2)on1 19122971 NTBPSFNFLCWRGQ-UHFFFAOYSA-N 449.559 3.728 0 40 IHAB COc1ccc([C@H]2CN(S(C)(=O)=O)[C@@H]3CCN(Cc4ccc(Cl)cc4)C[C@H]23)cc1 19557706 BQSAAYSWBUTITP-YPAWHYETSA-N 434.989 3.598 0 40 IHAB CNC(=O)c1sc2ncccc2c1[C@H]1CN(C(=O)CCCc2ccc(F)cc2)CCO1 19703294 ZXARVPKGWKAWSL-GOSISDBHSA-N 441.528 3.718 0 40 IHAB COc1ccc(OCc2sc([C@@]3(O)CCCN(C(=O)C(C)(C)OC)CC3)nc2C)cc1 19705378 QOTHLPMKNCXMAJ-HSZRJFAPSA-N 448.585 3.664 0 40 IHAB Cn1cc(C(=O)NC2CCCC2)c(CC2CCN(C(=O)c3nccc4ccccc34)CC2)n1 19756457 HXSLYAWKCYWORK-UHFFFAOYSA-N 445.567 3.736 0 40 IHAB Cc1nc([C@@H]2CCCCN2C(=O)c2ccc3c(c2)ncn3C2CC2)ncc1C(=O)N(C)C 19765589 HFFWXIHDZRSVFO-NRFANRHFSA-N 432.528 3.539 0 40 IHAB Cc1ccc(N2C(=O)N(CC(=O)NC3CCCCC3)c3ccccc3S2(=O)=O)cc1F 21657797 LVNCEKVERDZXIB-UHFFFAOYSA-N 445.516 3.718 0 40 IHAB CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(OCC(=O)N2CCCCC2)cc1 22233202 LGFCNUFUPPOFBO-UHFFFAOYSA-N 436.961 3.698 0 40 IHAB O=C(NCc1ccccc1Cl)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 22518705 OVHZOABDTIOVSS-FQEVSTJZSA-N 434.989 3.631 0 40 IHAB Cc1cc(-c2csc(CN3CCN(CC(=O)NC(C)(C)C)CC3)n2)c(C)n1C1CC1 22816099 STICYDDKYSEOJH-UHFFFAOYSA-N 429.634 3.596 0 40 IHAB Cc1ccccc1-c1noc(Cn2c(=O)n(CCc3ccccc3)c(=O)c3ccccc32)n1 23126920 FSKAFINURKPJLH-UHFFFAOYSA-N 438.487 3.813 0 40 IHAB COC(=O)c1ccc(NC(=O)Cc2c(C)nc(S[C@@H](C)c3ccccc3)[nH]c2=O)cc1 23138701 VPOQGFAYMIFXEQ-HNNXBMFYSA-N 437.521 3.899 0 40 IHAB O=C(COc1cccc(N2CCCC2=O)c1)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 25145987 CPKMUTRQOQLNPX-AREMUKBSSA-N 440.503 3.974 0 40 IHAB O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1cccc(OC2CCCC2)c1 29070444 YWRWWTBCPRADQW-UHFFFAOYSA-N 431.510 3.582 0 40 IHAB O=C(N[C@@H](c1ccccc1)C1CC1)c1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1 29085081 XQQHFSHQEUAWFO-QHCPKHFHSA-N 446.528 3.912 0 40 IHAB COC(=O)C[C@H](NC(=O)NCc1ccc(N2CCCC2=O)cc1)c1ccccc1Cl 29334432 XCWJPCQGHXBKKM-IBGZPJMESA-N 429.904 3.570 0 40 IHAB CCCCN(C(=O)CSc1nccn1-c1ccc(C(C)C)cc1)[C@H]1CCS(=O)(=O)C1 29902768 JCZUXAGKLFSUIL-FQEVSTJZSA-N 449.642 3.904 0 40 IHAB CCOC(=O)c1ccc(S(=O)(=O)N[C@H](C)c2ccccc2OC)c(Br)c1 32770640 LOHVIWIJKWFNMY-GFCCVEGCSA-N 442.331 3.674 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc2nc(CSc3nc4ccc(OC)cc4[nH]3)[nH]c2c1 32911003 SXHWCNKZENELKL-UHFFFAOYSA-N 445.570 3.771 0 40 IHAB CCn1cc(-c2nc(-c3ccc(F)cc3)no2)c(=O)c2cc(F)c(N3CCOCC3)cc21 33255984 QXLPQEVACKCSHP-UHFFFAOYSA-N 438.434 3.853 0 40 IHAB COc1ccc(N2C(=O)C[C@@H](N3CCc4c([nH]c5ccc(Cl)cc45)C3)C2=O)c(OC)c1 36369840 HDEMSMVOVFCRIO-HXUWFJFHSA-N 439.899 3.529 0 40 IHAB biogenic CCOc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1N1CCN(C)CC1 40934036 IBHNEKVLDKCEQY-UHFFFAOYSA-N 441.482 3.506 0 40 IHAB in-vitro COc1ccccc1-c1noc(Cn2ccn3nc(-c4ccc(C)c(C)c4)cc3c2=O)n1 44166455 VNROSRXMPWXJPD-UHFFFAOYSA-N 427.464 3.887 0 40 IHAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CSCc3ccc(F)cc3)cc2)n1 44947149 IYAXNDPPTWCMKB-UHFFFAOYSA-N 446.529 3.597 0 40 IHAB Cc1cccc(NC(=O)CN2CCN(C(=O)[C@@H]3CCC[C@@H](C(F)(F)F)C3)CC2)c1C 48324525 RWAACPYSNAAWFZ-QZTJIDSGSA-N 425.495 3.755 0 40 IHAB Cc1cccc2cc(CN(Cc3nnnn3C3CCCCC3)C[C@@H]3CCCO3)c(=O)[nH]c12 57607206 OSOBFRJCBQHJEQ-NRFANRHFSA-N 436.560 3.509 0 40 IHAB CN1CCC(N(C)C[C@@H](NC(=O)Cc2ccc(Br)cc2)c2ccccc2)CC1 58440050 SSZWURJPJXWKJU-JOCHJYFZSA-N 444.417 3.875 0 40 IHAB C[C@@H](CC(C)(C)c1ccccc1)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 60111075 PDQDPOZGCDZMIW-VQTJNVASSA-N 428.598 3.960 0 40 IHAB Cc1c(C(=O)NCC(F)(F)F)nnn1-c1cccc2c1CCN(Cc1ccccc1F)C2 69656273 JGJSRRFUWUTARJ-UHFFFAOYSA-N 447.436 3.565 0 40 IHAB COc1ccccc1OCCCNC(=O)[C@H]1C[C@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2N1 72327078 BZYGWHMVYBXXEH-CKWPORTCSA-N 449.551 3.568 0 40 IHAB COc1ccc([C@@H](NC(=O)c2nn(-c3cccc(C(C)C)c3)cc2O)c2nccn2C)cc1 78875679 XLRCYKQZVPDJDC-JOCHJYFZSA-N 445.523 3.963 0 40 IHAB CCC(CC)[C@H](CNC(=O)Cn1c(S)nnc1-c1ccc(Cl)cc1)N1CCCC1 79060612 QZAZJTXUMFDWLB-SFHVURJKSA-N 436.025 3.904 0 40 IHAB Cc1oncc1C(=O)Nc1ccc(O)c(C(=O)NCc2cc(F)ccc2Br)c1 95456836 ZESJHRYCLULMLR-UHFFFAOYSA-N 448.248 3.773 0 40 IHAB CN1CCCN(C(=O)c2cnc(-c3noc4cc(N5CCCCC5)ccc34)s2)CC1 96154624 LPYATDWPOVJDOK-UHFFFAOYSA-N 425.558 3.719 0 40 IHAB CCOc1cc(/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)ccc1O[C@H](C)C(=O)N(C)C 96635055 ITGHTTBYCUYYCU-CRRKTRLDSA-N 442.899 3.939 0 40 IHAB Cc1ccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1C 102086893 PETUBCLFDBJPKL-DPPJIKRNSA-N 440.543 3.906 0 40 IHAB COc1ccc(N([C@H](C)C(=O)Nc2c(C)cccc2C(C)C)S(C)(=O)=O)cc1OC 220235509 TYTLOHYQIQPUGE-MRXNPFEDSA-N 434.558 3.929 0 40 IHAB CC[C@H](C(=O)Nc1ccccc1C(=O)OC)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O 220728036 XPQSZWOZWXKYMJ-GOSISDBHSA-N 438.933 3.618 0 40 IHAB CCOC(=O)Nc1ccc(S(=O)(=O)NCCNc2ccnc3cc(Cl)ccc23)cc1 223000640 LQXJJMUOPRNTRW-UHFFFAOYSA-N 448.932 3.847 0 40 IHAB Cc1ccc(-c2nnc(NC(=O)[C@H](C)N(c3ccc(C)cc3)S(C)(=O)=O)s2)cc1 223506937 MMCWARLMDMMJBR-HNNXBMFYSA-N 430.555 3.615 0 40 IHAB Cc1ccccc1N(CCCC(=O)NCCOc1ccc2ccccc2c1)S(C)(=O)=O 223634881 VICJFENWQZCVCP-UHFFFAOYSA-N 440.565 3.890 0 40 IHAB COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(Br)cs1 223711346 UATOJRXRAYIORC-HOTGVXAUSA-N 440.388 3.831 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCOc1ccccc1C(C)C 223773793 NPOUHVCOVXFCOQ-UHFFFAOYSA-N 430.570 3.712 0 40 IHAB CN([C@@H](C(=O)Nc1ccc(Br)c(Cl)c1)c1ccccc1)S(C)(=O)=O 224249746 WJKIGJPNLBIUNO-OAHLLOKOSA-N 431.739 3.674 0 40 IHAB COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2)cc1 224561689 HUSNVGPQSNNEQE-MRXNPFEDSA-N 426.494 3.902 0 40 IHAB CCOC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(OC)c(F)c1 225115007 GOQCFMPMAYFIGR-UHFFFAOYSA-N 436.288 3.900 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)c3ccc(F)cc3)CC2)cc1Cl 226080225 VTTCQMGCCXSCRL-UHFFFAOYSA-N 440.924 3.551 0 40 IHAB Cc1cc(OC2CN(C(=O)c3cc(Br)ccc3Cl)C2)cc(=O)n1C1CC1 244955875 GCWMPPITPKMPJT-UHFFFAOYSA-N 437.721 3.811 0 40 IHAB CNC(=O)[C@@]1(c2ccccn2)CCCN(C(=O)c2cccc(OCc3ccc(F)cc3)c2)C1 257225008 FELDVJVFARYXQA-SANMLTNESA-N 447.510 3.720 0 40 IHAB CC(=O)N1CCC(C(=O)N2CCC3(CC2)CO[C@@H]2c4ccccc4OC(C)(C)[C@H]2C3)CC1 257282676 OUTWZTGGVDQPSC-JTHBVZDNSA-N 440.584 3.803 0 40 IHAB CNC(=O)[C@]1(c2ccccn2)CCCN(C(=O)C2(c3ccc(F)cc3Cl)CCCC2)C1 257304490 SLXNFYDGFPTICA-XMMPIXPASA-N 443.950 3.992 0 40 IHAB CCOc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2C)cc1 408593330 PYQWTMVQEDIQJN-UHFFFAOYSA-N 432.542 3.586 0 40 IHAB CCc1nc(S/C(=C\c2ccc(OCc3cccc(C(=O)O)c3)cc2)C(=O)O)n[nH]1 408633302 XQFVQEVTQFBJIG-BOPFTXTBSA-N 425.466 3.862 0 40 IHAB COc1cc(OC)cc(-c2nnc(S/C(=C\c3ccc(OC)c(OC)c3)C(=O)O)o2)c1 408634175 RSUOSMUEPCDBON-LSCVHKIXSA-N 444.465 3.989 0 40 IHAB COc1cccc(NS(=O)(=O)c2cccc(N3C(=O)[C@H]4CC[C@@](C)(C3=O)C4(C)C)c2)c1 408721861 MEWOTWPYJJTNJB-XXBNENTESA-N 442.537 3.812 0 40 IHAB NC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc2c(c1)oc1ccccc12 408998102 AGZFQNVCGGIVFU-IBGZPJMESA-N 431.448 3.695 0 40 IHAB CC(C)CN1C(=O)S/C(=C\c2cn(CC(=O)NC[C@@H]3CCCO3)c3ccccc23)C1=O 409134647 WYTGGQISFJMUAR-NAGKPISUSA-N 441.553 3.629 0 40 IHAB CCc1cccc(CC)c1NC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 409145022 PACPSKLBFWUAIV-UHFFFAOYSA-N 439.375 3.979 0 40 IHAB CNC(=O)COc1cccc(CNC(=O)c2cc(-c3ccco3)nc3onc(C(C)C)c23)c1 551323370 ZQXLKKFHDYIZAB-UHFFFAOYSA-N 448.479 3.661 0 40 IHAB OC1(COc2ccccc2F)CCN(Cc2cccc(OCCCn3ccnc3)c2)CC1 585270046 BHFVVWBFFDWPGR-UHFFFAOYSA-N 439.531 3.897 0 40 IHAB CN1CCC(NC(=O)C2(Cc3ccc(-c4cc(F)ccc4O)cc3)CCOCC2)CC1 643551030 VGJATQBTWWBMRZ-UHFFFAOYSA-N 426.532 3.748 0 40 IHAB O=C(CN1CCCCCCOc2ccccc2Oc2ncccc2C1)N1CCC(O)CC1 643576712 YNWROCOZIAXVLU-UHFFFAOYSA-N 439.556 3.612 0 40 IHAB COc1ccc(C(=O)N2CCC3(CC[C@H]3NC(=O)CCc3ccccc3)CC2)c(OC)c1 1614940630 SLDBRYDIKXSJDK-HSZRJFAPSA-N 436.552 3.838 0 40 IHAB COc1ccccc1S(=O)(=O)N1CCC[C@H](COc2ncccc2C(F)(F)F)C1 1775969706 HGLXDAXHWZACQV-AWEZNQCLSA-N 430.448 3.589 0 40 IHAB CCOc1ccccc1NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccccc1 885147 SGAKIQXYNUBFET-UHFFFAOYSA-N 438.549 3.957 0 40 IHAB CCOC(=O)c1c(-c2cccs2)csc1NC(=O)CN1C(=O)c2ccccc2C1=O 1094929 NGGXVYFPBBLOPV-UHFFFAOYSA-N 440.502 3.888 0 40 IHAB C[C@H](C(=O)OCC(=O)Nc1ccc(Oc2ccccc2)cc1)N1C(=O)c2ccccc2C1=O 3228148 GWNUMCUOLSFEOH-MRXNPFEDSA-N 444.443 3.645 0 40 IHAB CC(=O)N1CCC(N2C[C@@H]3C[C@H](C2)c2ccc(-c4ccc(Cl)cc4)c(=O)n2C3)CC1 4260400 RZWWWSOLCBDRBB-PKOBYXMFSA-N 425.960 3.599 0 40 IHAB biogenic,in-vitro CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CSc2nc3ccccc3[nH]2)c1 8686244 WDHXEJIEYCEJBR-UHFFFAOYSA-N 432.571 3.633 0 40 IHAB COc1ccc(CNC(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H]3c4ccccc4C(=O)N23)cc1 8790893 AGCUANIGFNRKHK-ZCYQVOJMSA-N 437.499 3.963 0 40 IHAB biogenic CCOCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccc(C(=O)OC)cc1 8845294 GVKIJTJURAOQAB-JOCHJYFZSA-N 435.480 3.541 0 40 IHAB Cn1c(CC(=O)Nc2ccc(F)cc2)nnc1SCC(=O)c1cn(C)c2ccccc12 9095955 JDOFBRSSVDYLAH-UHFFFAOYSA-N 437.500 3.602 0 40 IHAB CC[C@@H](Sc1nnc(-c2ccncc2)n1-c1ccccc1)C(=O)Nc1nnc(C)s1 9147070 TYCHZHWWAVBJNQ-MRXNPFEDSA-N 437.554 3.999 0 40 IHAB COCCN(Cc1ccccc1)C(=O)c1cc(S(=O)(=O)N2CCCC[C@H]2C)ccc1C 9349457 ZTRMKRDDBYNYBS-HXUWFJFHSA-N 444.597 3.847 0 40 IHAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cccc(OC)c1OC 9402943 VBCUIFHUOXRDDR-UHFFFAOYSA-N 430.501 3.590 0 40 IHAB C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)[C@@H]1C 9439522 KCOWZJVWDSEXQU-LZJOCLMNSA-N 444.553 3.585 0 40 IHAB CCOC(=O)c1c(NC(=O)c2nc3ccccc3s2)sc2c1CCN(C(C)=O)C2 9639508 RJVVUDLLSSRJNP-UHFFFAOYSA-N 429.523 3.691 0 40 IHAB CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)[C@H](c1ccccc1)[C@H](C)CC)n2CC 9646793 DAZYUSFIGDMXDO-APWZRJJASA-N 440.544 3.579 0 40 IHAB CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nc2cc(OC)c(OC)cc2c1=O 9972182 OOTVHQNRKGMHBU-UHFFFAOYSA-N 433.917 3.818 0 40 IHAB O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(N2CCCC2=O)cc1)c1cccs1 10213140 GGOOGFYQSSECRD-FQEVSTJZSA-N 433.533 3.855 0 40 IHAB CCOC(=O)c1c(NC(=O)c2nn(-c3ccc(CC)cc3)ccc2=O)sc(C)c1C 11915087 PSBSPJRAJAGZAT-UHFFFAOYSA-N 425.510 3.902 0 40 IHAB Cc1[nH]ncc1CCCNc1nc(CN2CCOCC2)nc2sc3c(c12)CC[C@@H](C)C3 12576015 UBJQONGDVZTOAP-OAHLLOKOSA-N 440.617 3.725 0 40 IHAB O=C(Nc1cccc(Cl)c1)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 12779065 VDXRQDWXUSDUKY-UHFFFAOYSA-N 442.884 3.563 0 40 IHAB CCc1ccccc1NC(=O)CN1CCN(C(=O)C(C)(C)Oc2ccc(Cl)cc2)CC1 12821653 KIAWFZKEWWQNLA-UHFFFAOYSA-N 443.975 3.843 0 40 IHAB CCC(C)(C)NC(=O)[C@@H](c1cccnc1)N(Cc1ccc(C)cc1)C(=O)c1csnn1 12872426 INFIUIFROVSJEB-HXUWFJFHSA-N 437.569 3.930 0 40 IHAB CC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 12985490 AHRFZVPLJVDVNL-NSHDSACASA-N 426.888 3.674 0 40 IHAB COc1ccc(CCc2nnc3sc(-c4ccc(OC)c(OC)c4)nn23)cc1OC 13692607 UVJBEJDEZPMEJA-UHFFFAOYSA-N 426.498 3.672 0 40 IHAB O=C(/C=C/c1ccc2c(c1)OCO2)NC1(C(=O)Nc2ccc3c(c2)OCO3)CCCCC1 13880196 YZMBHOUCIHJVLT-WEVVVXLNSA-N 436.464 3.615 0 40 IHAB C[C@@H](c1ccccc1)N1C[C@@H](C(=O)N2CCN(Cc3nc4ccccc4s3)CC2)CC1=O 14228397 FCWUPQCXVLLYGK-ICSRJNTNSA-N 448.592 3.550 0 40 IHAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3nc(-c4ccc5c(c4)CCCC5)cs3)ccc21 14497961 YHZVKSRTVZFVTP-UHFFFAOYSA-N 446.532 3.964 0 40 IHAB CCc1nn2c(C)c(C(=O)N3CCN(CC)CC3)nnc2c1-c1cccc2ccccc12 14607697 XOFSMYCQZWYHHZ-UHFFFAOYSA-N 428.540 3.593 0 40 IHAB O=C(Cn1c(=O)cnc2ccccc21)Nc1ccnn1Cc1ccc(Cl)cc1Cl 14673291 WAEDRZFHLXRCMD-UHFFFAOYSA-N 428.279 3.587 0 40 IHAB COc1ccc(C(=O)NC(=O)COC(=O)CCc2ccc(-c3ccccc3F)o2)cc1 16320422 IKSQWSAXFDKITD-UHFFFAOYSA-N 425.412 3.527 0 40 IHAB COc1ccccc1N([C@H](C)C(=O)N1CCc2ccccc21)S(=O)(=O)c1cccs1 16694795 HRWADUZBGVHTHL-MRXNPFEDSA-N 442.562 3.930 0 40 IHAB COc1cccc(NC(=O)Cn2c(C)cc(C)c(-c3nc(-c4ccccc4)no3)c2=O)c1 16839981 XKQFBOPXVPVNAH-UHFFFAOYSA-N 430.464 3.829 0 40 IHAB COC(=O)C1=C(N)N2C/C(=C\c3cccs3)SC2=C(C(=O)OC)[C@H]1c1cccs1 17129895 UGWXKNXNXALUQV-TZIYXEQSSA-N 446.575 3.725 0 40 IHAB O=C(c1ccccc1)[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]2[C@H]2C=CC=NN12 18030757 MQVFBDCJGMQHFK-YDZRNGNQSA-N 440.286 3.590 0 40 IHAB O=C(CCNC(=O)c1ccccc1)NCCSCc1ccc(Br)s1 18161273 FKVKCIUIXLUCMG-UHFFFAOYSA-N 427.389 3.680 0 40 IHAB O=C(CN1C(=O)[C@H]2CCCN2C(=O)c2ccccc21)Nc1ccc(N2CCCCCC2)cc1 19374606 NTAPXAIXAQSDHH-HSZRJFAPSA-N 446.551 3.657 0 40 IHAB COc1ccc(CN2CCN(C)C(=O)[C@H](Cc3ccc(-c4cccnc4)cc3)C2)cc1OC 19589450 GZTJCKKPXWGUFH-XMMPIXPASA-N 445.563 3.899 0 40 IHAB Cc1ccc(C)c([C@H]2CCCN2C(=O)c2ccc(=O)n(CC(=O)NCc3ccccc3)c2)c1 19749277 WRNDRRXKMQZGKF-XMMPIXPASA-N 443.547 3.759 0 40 IHAB CCOc1cc(/C=C(\Sc2nc(C)n[nH]2)C(=O)O)cc(Br)c1OCC 20529964 YOPRIIYEQGGBGO-JYRVWZFOSA-N 428.308 3.891 0 40 IHAB Cn1c(C(=O)N2CCN(C(=O)c3ccc(Br)cc3)CC2)cc2ccccc21 20739475 XNRZLVFVXQYSNY-UHFFFAOYSA-N 426.314 3.539 0 40 IHAB COc1ccc(-c2nnn3c2nc(O)c2ccc(C(=O)NCc4ccc(F)cc4)cc23)cc1 21867703 ZLSJRRFELVUGMU-UHFFFAOYSA-N 443.438 3.728 0 40 IHAB O=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CCN(CCOc2ccc(Cl)cc2)CC1 23762016 QDJJWSJVANMUKM-HSZRJFAPSA-N 444.959 3.735 0 40 IHAB O=S1(=O)c2cccc3cccc(c23)N1C[C@H](O)COc1ccc(Br)cc1 24085389 KWNXKHGQJVBBFS-HNNXBMFYSA-N 434.311 3.551 0 40 IHAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)CCc1ncc(-c2ccccc2Cl)o1 25064235 OXQCKSFNSZDWOW-CQSZACIVSA-N 447.944 3.795 0 40 IHAB Cc1ccc(Nc2nc(CN3CCN(S(=O)(=O)c4cccs4)CC3)cs2)cc1 25686593 ATRNLKRZWOTQGR-UHFFFAOYSA-N 434.612 3.763 0 40 IHAB Cc1nnc2n1N[C@H](c1ccc(O)cc1)[C@H](C(=O)c1ccc(Br)cc1)S2 27525592 YAMKBEUGBMGSFH-NVXWUHKLSA-N 431.315 3.697 0 40 IHAB COc1ccc(NC(=O)c2csc(-c3ccc(C(C)C)cc3)n2)cc1S(N)(=O)=O 29459691 VWWLZLQASHZXQT-UHFFFAOYSA-N 431.539 3.842 0 40 IHAB CC(C)CN1CCO[C@@H](CNC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)C1 32269849 PTGPDEBFANDCEU-INIZCTEOSA-N 444.885 3.631 0 40 IHAB CCOc1cc2ccccc2cc1C(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 32787263 HUPASPDHYNWUOT-UHFFFAOYSA-N 442.512 3.524 0 40 IHAB O=C(NC(c1ccccc1)c1ccccc1)c1ccc(S(=O)(=O)NCc2ccco2)o1 35597551 RGMYVZWOKHMWNK-UHFFFAOYSA-N 436.489 3.871 0 40 IHAB O=C(CSc1cc(N2CCOCC2)ncn1)Nc1cc(C(F)(F)F)ccc1Cl 36708488 BSLIQCFTSVMOBX-UHFFFAOYSA-N 432.855 3.716 0 40 IHAB O=C1C[C@H](c2ccccc2O)Cc2c1cnc1nc(NCCc3ccccc3)[nH]c(=O)c21 38829474 RXKWOVKOMPCEIV-MRXNPFEDSA-N 426.476 3.591 0 40 IHAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)S(=O)(=O)c1cc(F)ccc1OC 39986331 YJBXJYNRVXQNSS-UHFFFAOYSA-N 434.411 3.502 0 40 IHAB CC(=O)Nc1cccc(-n2cnnc2SCC(=O)N[C@@H](c2cccs2)C(C)C)c1 40066757 MMBUEXOIYDPPAC-LJQANCHMSA-N 429.571 3.893 0 40 IHAB Cc1ccc(NC(=O)N[C@H](Cn2ccnc2)C(C)(C)C)cc1S(=O)(=O)N1CCCCC1 40145706 BDEBTDHCLROMMI-HXUWFJFHSA-N 447.605 3.603 0 40 IHAB CCOc1ccc(CN(C)C(=O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)cc1OC 40160385 KQZDCYWNAQBIQW-HXUWFJFHSA-N 438.524 3.763 0 40 IHAB O=C(c1cc(Cl)ccc1Cl)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCO3)CC1 42382348 NGZCDNBKHAPCHL-JKSUJKDBSA-N 447.318 3.810 0 40 IHAB CC(=O)c1cccc(S(=O)(=O)N2CCC(Oc3nc4c(F)cccc4s3)CC2)c1 49444004 JRUUUKZIWCHDEF-UHFFFAOYSA-N 434.514 3.870 0 40 IHAB Cc1ccc(Cl)cc1-n1ncc2c(=O)n(CC(=O)Nc3cccc(Cl)c3)cnc21 57486471 SFWWBQIHTQGZQD-UHFFFAOYSA-N 428.279 3.836 0 40 IHAB NC(=O)CC1CCN(C(=O)/C=C/c2cn(Cc3ccccc3)nc2-c2ccccc2)CC1 58394603 WCUGBIRBPQAZQM-VAWYXSNFSA-N 428.536 3.726 0 40 IHAB Cc1ccnn1-c1ccc(C(=O)Nc2ccc3c(ccn3CCN3CCOCC3)c2)cc1 69926919 UDXOFYHBAKVQHU-UHFFFAOYSA-N 429.524 3.720 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1[C@@H](NS(=O)(=O)c1cncc(F)c1)C(F)(F)F 72307503 QUWDCCXDLVRVMP-QGZVFWFLSA-N 428.411 3.605 0 40 IHAB CCN1CCN(C(=O)Cc2ccccc2OC)[C@@H](Cc2cccc(-c3ccncc3)c2)C1=O 72351690 FVOMXYREZOXMCZ-DEOSSOPVSA-N 443.547 3.602 0 40 IHAB CCn1cc(S(=O)(=O)N2CCC[C@@H]2c2cc(Nc3nc(C)cs3)cc(C)n2)c(C)n1 72372654 JNCPXCYXGFVOQU-GOSISDBHSA-N 446.602 3.949 0 40 IHAB Nc1c(Br)cc(-c2nn3c(C(F)(F)F)nnc3s2)cc1Br 73634304 DUFSSJUSHHGESX-UHFFFAOYSA-N 443.046 3.979 0 40 IHAB O=C(c1cnn2ccccc12)N1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)CC1 77101276 DBYHWYRYMIVLHX-UHFFFAOYSA-N 436.943 3.784 0 40 IHAB Cc1ccc(F)c2c1CCCN2CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1 84147889 PQJBEEXBQLLNFQ-UHFFFAOYSA-N 427.545 3.714 0 40 IHAB CC1CCN([C@H](CNS(=O)(=O)c2ccc3c(c2)OCCCO3)c2cccs2)CC1 95350892 AFXIMEREWATREI-GOSISDBHSA-N 436.599 3.661 0 40 IHAB CCN(CC)C(=O)c1cnc(C(C)C)nc1[C@H]1CC[C@H](CNC(=O)[C@@H]2CCCO2)CC1 100205695 HEIBZSSQUYWOID-NSHGMRRFSA-N 430.593 3.651 0 40 IHAB CCN1CCN(CC(=O)Nc2sc3ccccc3c(=O)c2-c2ccc(F)cc2)CC1 102460414 HXCPPYAJJZMZTH-UHFFFAOYSA-N 425.529 3.644 0 40 IHAB CCOc1cc(-c2nnc(N)o2)cc(I)c1OCc1ccccc1 216823669 XEMQJMNJTNOBMH-UHFFFAOYSA-N 437.237 3.901 0 40 IHAB Cc1ccc(OC[C@H](C)NC(=O)CN2c3ccccc3-c3ccccc3S2(=O)=O)cc1 219157821 NQBQXWSIYSXTAY-SFHVURJKSA-N 436.533 3.754 0 40 IHAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(OC)cc1 223878139 VAKYLFFAEJEYLV-CQSZACIVSA-N 439.339 3.934 0 40 IHAB CCOc1ccc(C(=O)NC2CCCC2)cc1CN(C)S(=O)(=O)c1ccc(C)cc1 224820506 PUKOHIMIMDSJQD-UHFFFAOYSA-N 430.570 3.887 0 40 IHAB Cc1cc(CN2CC[C@H]3O[C@H]4c5cccc(O)c5OC(C)(C)[C@@H]4C[C@H]32)cc(C(=O)O)c1O 257212241 CCMNHASYUANSKR-DBQGFPOUSA-N 439.508 3.996 0 40 IHAB CCC(=O)N1CC[C@@H](c2cc3nc(C)c(CCC(=O)NCC4CCCCC4)c(C)n3n2)C1 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Cc1cc(C)c(C[C@@H](C(=O)N[C@@H]2CCN(C(=O)c3ccccn3)C2)C(F)(F)F)c(C)c1 535897503 ADWDXSQKRMKHGV-MJGOQNOKSA-N 433.474 3.759 0 40 IHAB CN1c2ccccc2N(C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)S1(=O)=O 575414210 SGKZASQCGHUCAL-UHFFFAOYSA-N 425.476 3.871 0 40 IHAB CCN1CCN(C(=O)Cc2ccccc2OC)[C@@H](Cc2ccccc2-c2ccncc2)C1=O 585168843 BMMWQNCXPHAVFC-DEOSSOPVSA-N 443.547 3.602 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccccc2I)c2cccnc12 1089583 QSHDAPHLLQRJRQ-UHFFFAOYSA-N 440.262 3.649 0 40 IHAB CCCOc1ccc(Cc2nn3c(=O)/c(=C/c4ccc(C(C)C)cc4)sc3nc2=O)cc1 2418942 MXLPTCLCHYYNED-JCMHNJIXSA-N 447.560 3.562 0 40 IHAB COc1cc2c(cc1OC)C1=NC(=O)[C@H](CC3CCCCC3)N1C(S[C@H](C)C(=O)O)=N2 2505791 KYRYBTBAMFNFBZ-WBMJQRKESA-N 445.541 3.839 0 40 IHAB O=C(CSc1nnc2c(n1)[nH]c1ccccc12)Nc1c(F)c(F)c(F)c(F)c1F 3233084 IZGMMHGSIALJKE-UHFFFAOYSA-N 425.342 3.932 0 40 IHAB CCn1cc(C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)c(=O)c2ccc(C)nc21 3264132 ZXMGHEMPBVVKIH-UHFFFAOYSA-N 433.386 3.539 0 40 IHAB COc1cccc([C@@]2(C)NC(=O)N(CC(=O)c3cc(C)n(Cc4ccccc4)c3C)C2=O)c1 3357371 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COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CN1CCC(Cc2ccccc2)CC1 9462011 FHCNVFWJRUGVPQ-UHFFFAOYSA-N 435.524 3.856 0 40 IHAB Cc1ccc(-n2ncc3c(SCC(=O)NCc4ccc5c(c4)OCO5)ncnc32)c(C)c1 9517761 LWWORXSOBXPAIC-UHFFFAOYSA-N 447.520 3.570 0 40 IHAB CCN(Cc1cccs1)C(=O)CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O 9581167 NNMVZZVQAZYSHE-RUZDIDTESA-N 447.560 3.787 0 40 IHAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)CN1C(=O)NC2(CCCCC2)C1=O 9619302 CMGIXGCUDSOGSA-UHFFFAOYSA-N 429.904 3.813 0 40 IHAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2)cc1 9725103 GQEBEKPQBJMSCD-FQEVSTJZSA-N 441.509 3.876 0 40 IHAB CCN1CCN(c2ccc(NC(=O)Cc3cc(Cl)c4c(c3)OCCO4)cc2C)CC1 10959686 GQDIDCVQLVZNEB-UHFFFAOYSA-N 429.948 3.743 0 40 IHAB CCc1cc(C(F)(F)F)n2nc([C@H]3CCCN(C(=O)c4cc(C5CC5)n[nH]4)C3)cc2n1 12221276 SVBAFBTYYJOYJO-ZDUSSCGKSA-N 432.450 3.931 0 40 IHAB CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)cc2n1 12230501 YZYLGICRUKILAC-INIZCTEOSA-N 442.438 3.975 0 40 IHAB COc1ccc(C)cc1NC(=O)C[C@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21 12233193 LKZHLEHNWXTOPI-INIZCTEOSA-N 447.520 3.575 0 40 IHAB CCCNC(=O)[C@@H](C)Sc1nc2sc(-c3ccccc3)cc2c(=O)n1CCOC 13018364 IISVMEAPHOHHAN-CQSZACIVSA-N 431.583 3.778 0 40 IHAB Cc1cc(C)c(NC(=O)CNC(=O)COC(=O)/C=C/c2nc3ccccc3s2)c(C)c1 13056564 YFCZSMFDFPDHKN-CMDGGOBGSA-N 437.521 3.533 0 40 IHAB COc1cccc(Cn2c(=O)c3c(ncn3C3CCCC3)n(Cc3ccccc3)c2=O)c1 13146054 LLHYEHKBQCLGRN-UHFFFAOYSA-N 430.508 3.580 0 40 IHAB COc1cc(OC)cc(-c2nnc(SCC(=O)Nc3cc(OC)ccc3OC)s2)c1 13519066 UWTHCNLZALUONE-UHFFFAOYSA-N 447.538 3.970 0 40 IHAB CCOc1ccccc1NC(=O)Cn1c(=O)n(CCc2ccccc2)c(=O)c2sccc21 13533509 RQNAFABIWAPZCV-UHFFFAOYSA-N 449.532 3.505 0 40 IHAB CC[C@@H](C(=O)NCCSCc1cccc(C)c1)N(c1ccc(C)cc1)S(C)(=O)=O 13713463 JAOGSMWJISYTGN-NRFANRHFSA-N 434.627 3.898 0 40 IHAB CC[C@@H](C(=O)Nc1cc(C(=O)OC)ccc1Cl)N(c1ccc(C)cc1)S(C)(=O)=O 13713764 PYNZLLDRJYWHIW-SFHVURJKSA-N 438.933 3.618 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCC1(N2CCCCC2)CCCCC1 13986895 CQTBBPUELAWYQY-UHFFFAOYSA-N 447.645 3.698 0 40 IHAB CC1CCN(C(=O)COC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)CC1 14753010 KPBUWMIPYJDNRQ-UHFFFAOYSA-N 428.554 3.667 0 40 IHAB CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)CC[C@@H]1Cc2ccccc2NC1=O 14900048 SWUMOWBNHLXWOA-OAHLLOKOSA-N 438.915 3.516 0 40 IHAB Cc1cc(Cl)c2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3c(C)cccc3C)C(=O)[C@@H]2[C@@H]2CCCN21 16009668 PCWOXOBCPQLRCR-WKGYELDXSA-N 449.938 3.696 0 40 IHAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1CCC(=O)N1CCc2sccc2[C@@H]1c1cccs1 18210466 XIVOZKMHLOASRV-QEEYODRMSA-N 426.563 3.625 0 40 IHAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3ccccc3Cl)c12 19165846 VKZXRHILDPLPTQ-CQSZACIVSA-N 444.944 3.882 0 40 IHAB CCn1cc(CCC(=O)NCc2cnc(C)nc2-c2cn(C)c3ccc(OC)cc23)c(C)n1 19524494 YKYRUDQKEVJJLD-UHFFFAOYSA-N 446.555 3.726 0 40 IHAB COc1ccc(CC(=O)N2CCCC[C@H]2c2nc(-c3ccsc3)cc(=O)[nH]2)cc1OC 19560479 XJXHNTHWWQLJQG-SFHVURJKSA-N 439.537 3.812 0 40 IHAB COc1ccc2c(c1)C=C(CN1CCO[C@H](c3ccc(-c4ccc(N)nc4)cn3)C1)CO2 19692465 DXSIFXYTOWFSDW-DEOSSOPVSA-N 430.508 3.584 0 40 IHAB COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CCN(C(=O)COc3ccccc3)C2)c1 19694723 OFOQZXVCWNBMRA-LJQANCHMSA-N 432.524 3.613 0 40 IHAB COc1ccc(-c2cnc(N(C)C)nc2C2CCN(C(=O)c3oc(C)nc3C)CC2)cc1 19695297 CIXQMAYAMQZQGU-UHFFFAOYSA-N 435.528 3.843 0 40 IHAB Cc1nc(C)c(C(=O)N2CCC(c3ccc(C(=O)Nc4nccs4)cn3)CC2)s1 19705808 AMSNAHUHEFYODW-UHFFFAOYSA-N 427.555 3.884 0 40 IHAB Cc1nc([C@]2(O)CCCN(Cc3ccnn3C)CC2)sc1CCOc1ccc(F)cc1 19738718 QHZVMWXRLBHLLM-QHCPKHFHSA-N 444.576 3.819 0 40 IHAB CCOc1cc(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)ccc1OC(F)F 21600826 QCUUJUKLTZFYFW-HNNXBMFYSA-N 434.439 3.848 0 40 IHAB NS(=O)(=O)c1ccc(CCN[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1 22089605 GLJNFDHGTNKTJR-HSZRJFAPSA-N 433.533 3.572 0 40 IHAB CCc1cccc(CC)c1NC(=O)c1cc(OC)c(OC)cc1N(C)S(=O)(=O)CC 22252999 RBSQVXWJGSCCIB-UHFFFAOYSA-N 434.558 3.867 0 40 IHAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 22340830 FGUAHYYDVSMSJW-IBGZPJMESA-N 430.570 3.796 0 40 IHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CN(c1c(C)cc(C)cc1C)S(C)(=O)=O 22390673 OTKRZJWVEAKODW-SFHVURJKSA-N 445.585 3.545 0 40 IHAB Cc1ccc(-n2ncc3c(C4CC4)nn(CC(=O)Nc4cccc(F)c4)c(=O)c32)cc1C 22768186 FBZDIDIFWCRGAT-UHFFFAOYSA-N 431.471 3.854 0 40 IHAB COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2ccc(C(=O)O)cc2)cc1OC 24543594 VIHZEVRZFUBVQV-XSFVSMFZSA-N 446.459 3.812 0 40 IHAB CS(=O)(=O)N1CCCN(C(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)CC1 24779607 OPSMPMNGSBGSJI-UHFFFAOYSA-N 442.459 3.605 0 40 IHAB COc1cccc(-c2nnc(S[C@@H](C)c3nc(N)nc(N(C)C)n3)n2-c2ccccc2)c1 24985782 BLAICWJVNYOOTL-AWEZNQCLSA-N 448.556 3.629 0 40 IHAB C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC1(c2ccc3c(c2)OCCO3)CCCC1 25045743 DKRSVHXOPGTPLV-SFHVURJKSA-N 438.524 3.701 0 40 IHAB C[C@@H](NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc2ccccc2c1 27324165 ZGTVNPNMTQVRHV-MRXNPFEDSA-N 425.506 3.652 0 40 IHAB COc1ccc(C(=O)N(Cc2c(F)cccc2Cl)[C@H]2CCS(=O)(=O)C2)cc1Cl 27756263 FYNKEMAWKYLHKA-ZDUSSCGKSA-N 446.327 3.971 0 40 IHAB CC(C)c1nnc2ccc(N3CCC[C@@H](C(=O)Nc4ccc(Br)cc4)C3)nn12 32072940 PVVYMURNYLEECT-CQSZACIVSA-N 443.349 3.865 0 40 IHAB COc1ccc(-c2noc(-c3ccc(=O)n(CC(=O)Nc4c(C)cccc4C)c3)n2)cc1 33293139 KAQBOFVFJQPPDA-UHFFFAOYSA-N 430.464 3.829 0 40 IHAB CC(C)=C1[C@H]2CC[C@@H]1[C@H](C(=O)O)[C@@H]2C(=O)Nc1sccc1C(=O)NCc1ccco1 35897908 IEZTXZCSFNOOQM-NONVJHHQSA-N 428.510 3.903 0 40 IHAB COc1ccc2[nH]c3c(c2c1)CCN([C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1=O)C3 36358270 WCEUJLYEPYEUSC-HXUWFJFHSA-N 427.863 3.659 0 40 IHAB biogenic CC[C@@H](C)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(Cl)c1Cl)C(=O)OC 36584201 ZRFGYEOLMPCITA-ONUMYQOESA-N 439.343 3.961 0 40 IHAB COc1ccc(-c2cc(C(=O)NCCCn3nc(C)cc3C)c3c(C)nn(C)c3n2)cc1 36613243 SZIWRWPMEFDFDL-UHFFFAOYSA-N 432.528 3.586 0 40 IHAB CCOc1ccc(-c2cc(C(=O)N3CCC(NC(=O)Cc4cccs4)CC3)[nH]n2)cc1 49406689 BGSLPQYDOIUYAE-UHFFFAOYSA-N 438.553 3.500 0 40 IHAB CCc1ccccc1NC(=O)CN1CN(c2ccc(F)cc2)c2ncccc2S1(=O)=O 49411558 NUQNTHHZWHWTOG-UHFFFAOYSA-N 440.500 3.522 0 40 IHAB CC[C@]12CCCN3CCc4c(n(c5cc(Br)ccc45)[C@@](O)(C(=O)OC)C1)[C@@H]32 49925472 WYIJGAVIVKPUGJ-GIVPXCGWSA-N 433.346 3.715 0 40 IHAB in-man CC[C@H]1CCCCN1C(=O)Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2ccccc21 57473074 WZHGUGNPTKLUET-IBGZPJMESA-N 439.943 3.656 0 40 IHAB CCc1c(C(=O)NC[C@H](O)COc2cccc3ccccc23)cnn1-c1ccc(F)cc1 58112109 HCABIHBXMUHALX-FQEVSTJZSA-N 433.483 3.897 0 40 IHAB CCOc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(Br)cc1OC 59167719 FHINEKHVMSJNBJ-MFOYZWKCSA-N 431.311 3.627 0 40 IHAB COc1cc2oc(=O)cc(C)c2cc1CCC(=O)NC1CCN(Cc2ccccc2)CC1 62001484 OINYFMGDWDKGKK-UHFFFAOYSA-N 434.536 3.823 0 40 IHAB biogenic O=C(Nc1nc2ccc(Cl)cc2s1)[C@H]1CCCN(c2ccc(-n3ccnc3)nn2)C1 62022877 MXEPZBQFCPJUJS-ZDUSSCGKSA-N 439.932 3.781 0 40 IHAB CCOC(=O)c1ccc(NC(=O)Cn2nnc(C(=O)Nc3c(C)cc(C)cc3C)c2C)cc1 67323198 CXBBAXCGBDPTKN-UHFFFAOYSA-N 449.511 3.579 0 40 IHAB CCOc1ccccc1-c1noc(-c2ccc3c(=O)n(Cc4ccccc4)c(=O)[nH]c3c2)n1 67341495 OCUZJFVNIKFGPI-UHFFFAOYSA-N 440.459 3.854 0 40 IHAB CN(Cc1cccc(F)c1)Cc1nc([C@H]2CC(=O)N(Cc3ccccc3)C2)cc(N(C)C)n1 72352061 HVRMLFJQYNCLMH-NRFANRHFSA-N 447.558 3.830 0 40 IHAB Cc1ncsc1C(=O)N1CCC(c2nc(C)c3c(n2)N(CC(C)C)C(=O)CC3)CC1 72371150 MUQQIYMAHULVFE-UHFFFAOYSA-N 427.574 3.505 0 40 IHAB Cc1cc(C(=O)Nc2nc3c(s2)CN(C(=O)c2ccc4ncsc4c2)CC3)no1 77196441 HNISGCNLFOFTEK-UHFFFAOYSA-N 425.495 3.500 0 40 IHAB COc1ccc([C@H](CNS(=O)(=O)CC[C@@H]2CCCO2)c2c[nH]c3ccccc23)cc1 79095540 TZWZGMIKTFWGJW-FPOVZHCZSA-N 428.554 3.797 0 40 IHAB Cn1c(=O)c(C(=O)Nc2nc3ccc(Br)cc3s2)c(O)c2ccccc21 100498557 GRSFJLRWXAPFNV-UHFFFAOYSA-N 430.283 3.869 0 40 IHAB CCc1ccc(NC(=O)CSc2nnc(Cc3ccc4c(c3)OCCCO4)n2C)cc1 101160790 LMIXSMYPIWBSKQ-UHFFFAOYSA-N 438.553 3.860 0 40 IHAB C[C@@H](C1CC1)n1[nH]cc/c1=N\C(=O)COc1c(Br)cccc1Br 101985411 SOUHREYBVACSKN-GODZOQJBSA-N 443.139 3.819 0 40 IHAB CCc1ccccc1NC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 102086953 ZFTUXUTWXLINDE-SATZIVDQSA-N 440.543 3.852 0 40 IHAB CCOC(=O)[C@@H](C(=O)CSc1nnc(C)n1-c1cccc(C)c1)c1nc(C)cs1 103034682 AWBPHRLZQAMEPQ-KRWDZBQOSA-N 430.555 3.657 0 40 IHAB CC[C@H](C)[C@@H]1N=C2c3ccccc3N=C(SCC(=O)N3C[C@@H](C)C[C@H](C)C3)N2C1=O 103871466 HSJZPQWHEUGUNT-ULMVMLMRSA-N 426.586 3.929 0 40 IHAB O=C(N[C@@H]1CCCc2ccccc21)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 216357497 DRUWWRWIVCOVMU-ISKFKSNPSA-N 440.609 3.855 0 40 IHAB CCS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(OC3CCCC3)cc2)Oc2ccccc21 218792507 QJVOWDVJKNLTBH-NRFANRHFSA-N 430.526 3.564 0 40 IHAB CC1(C)C[C@@H](NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c2ccccc2O1 219256474 DSLGTOLHNUNNIN-QGZVFWFLSA-N 434.583 3.567 0 40 IHAB CSc1cccc(N(CC(=O)Nc2ccccc2Br)S(C)(=O)=O)c1 220061267 MRJLJKOCBLXQNA-UHFFFAOYSA-N 429.361 3.576 0 40 IHAB C[C@@H](C(=O)N1CCC(Cc2ccccc2)CC1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220448842 WFYYGWNVMGCNPR-INIZCTEOSA-N 436.524 3.601 0 40 IHAB CC[C@@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C)ccc2O1)c1ccc2c(c1)CCCC2 223100578 UECXXGRDRXHNQP-OFNKIYASSA-N 442.581 3.668 0 40 IHAB CCc1ccc([C@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)cc1 223162006 FKNQRRKHJKRNQA-KRWDZBQOSA-N 432.561 3.807 0 40 IHAB COCc1cccc(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCCC3)c2)c1 224037132 AQYWYHMAIUAOAO-UHFFFAOYSA-N 432.542 3.659 0 40 IHAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)COc1cc(OC)cc(OC)c1 224340935 HGOBKYXZLYAREK-OAQYLSRUSA-N 448.947 3.680 0 40 IHAB COc1ccc(C(=O)N2CCCCCC2)cc1CN(C)S(=O)(=O)c1ccc(C)cc1 224783184 CGDUEIIKIFPMBA-UHFFFAOYSA-N 430.570 3.841 0 40 IHAB CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(Cl)cc1Br 225203850 OLGFNFFRSFOZKR-ZDUSSCGKSA-N 439.737 3.645 0 40 IHAB CC[C@H](NC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O)c1ccc(Br)cc1 245228361 SMPDSUJLCHAFTL-PSGMQZRDSA-N 436.350 3.517 0 40 IHAB CC(C)CC(=O)N1CCC[C@](COc2ccc(Cl)cc2)(CC(=O)N2CCOCC2)C1 257270603 MUWSYDMVIZPYRD-QHCPKHFHSA-N 436.980 3.623 0 40 IHAB CC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N(C)C(=O)c2cnc3ccccc3c2)CC1 257289622 PZLNJXWYLBNRMZ-RGSZASNESA-N 445.563 3.684 0 40 IHAB C[C@@H]1CC[C@H]2C(=O)N(c3cccc(C(=O)OCC(=O)Nc4ccc(F)cc4)c3)C(=O)[C@@H]2C1 408653829 AUNBUEHEWYKOPA-JSNMRZPZSA-N 438.455 3.547 0 40 IHAB CCOc1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(OCC)cc2)cc1 408663986 IKFLBMSFCLSZGE-UHFFFAOYSA-N 428.485 3.775 0 40 IHAB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1)Nc1ccccc1Cl 408670958 XUVFZCMEIVOEIO-IAGOWNOFSA-N 438.867 3.591 0 40 IHAB CCc1cccc(CC)c1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(F)ccc2OC)C1 408713723 QCFXQLMUAOKSBM-SFHVURJKSA-N 448.560 3.999 0 40 IHAB Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)[C@@H]2COc3ccccc3O2)cc1 408920382 FMLAKPZPPOJLRB-NRFANRHFSA-N 438.505 3.883 0 40 IHAB O=C(O)COc1c(Cl)cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc1Cl 409076004 WHGHAHXNTSQWQT-VIZOYTHASA-N 439.226 3.689 0 40 IHAB O=C1CCCC[C@]2(CN(C(=O)c3ccccc3Cn3cccn3)C[C@H]2c2ccc(F)cc2)N1 585261684 HDGGLQBPUMZSDI-JYFHCDHNSA-N 446.526 3.739 0 40 IHAB CNC(=O)c1cccc([C@H]2CN(C(C)=O)CCN2Cc2ccccc2OC2CCCC2)c1 585261959 NJIWKHYCCVGPFL-XMMPIXPASA-N 435.568 3.773 0 40 IHAB COc1cc(CCc2nc(N3CCc4ccccc4C3)ncc2C(=O)O)cc(OC)c1OC 585264964 CHOILDIKODAWAJ-UHFFFAOYSA-N 449.507 3.549 0 40 IHAB C[C@H](Cc1csc2ccccc12)NS(=O)(=O)c1cc2c3c(c1)CCN3C(=O)CC2 821877054 GHVSEBBIGDPTOY-CQSZACIVSA-N 426.563 3.646 0 40 IHAB O=C1Nc2ccccc2[C@H]1C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)CC1 1251489033 LJPPPUJQVVYJFG-CJFMBICVSA-N 443.547 3.503 0 40 IHAB Cc1cnn(C)c1S(=O)(=O)N(C)[C@@H](c1ccccc1)c1ccccc1Br 1665316449 SHGNLJPMYRLBJY-SFHVURJKSA-N 434.359 3.901 0 40 IHAB CC(=O)N1CCCC[C@@]2(CCCN2Cc2nccs2)C(=O)Nc2ccccc2OCC1 2037980708 FVBCGHVCGSEQOV-HSZRJFAPSA-N 442.585 3.528 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccccc3)[C@H]2c2ccccc2)cc1 1090458 MGPRFFURVQETOW-XMMPIXPASA-N 436.533 3.606 0 40 IHAB CCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)ccc12 2109626 HHJIRPBCFIQOJU-RAWGQGSESA-N 427.541 3.975 0 40 IHAB biogenic COc1cc2c(cc1OC)[C@@H](c1c(O)n(-c3ccccc3Cl)c(=S)[nH]c1=O)NCC2 2231060 NAUHLXURWLPRPY-SFHVURJKSA-N 445.928 3.506 0 40 IHAB CCOc1ccc(C(=O)NCC(=O)O[C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 3247263 SJVFSPCFWFFLSW-LBPRGKRZSA-N 439.295 3.692 0 40 IHAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 3294440 QJVACEXTVFEVEB-UHFFFAOYSA-N 440.521 3.691 0 40 IHAB aggregator O=C(CCCc1c[nH]c2ccccc12)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 3395121 VMUIKNLWBOGEQP-UHFFFAOYSA-N 435.509 3.720 0 40 IHAB COC[C@@H](C)NC(=O)CN(c1cccc2ccccc12)S(=O)(=O)c1ccc(C)c(C)c1 3403868 GDYVYYOIAPRZHD-LJQANCHMSA-N 440.565 3.803 0 40 IHAB C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)Nc2ccc3c(c2)CCC3)C1=O 3406563 KWPBNICIXVHPSB-OAQYLSRUSA-N 432.307 3.888 0 40 IHAB C[C@@H](NC(=O)COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)c1ccccc1 3482509 SOXVHCHCXLETBB-MRXNPFEDSA-N 428.444 3.521 0 40 IHAB CCCS(=O)(=O)N1C[C@@H]2C[C@H](C1)c1c(-c3cc4ccccc4s3)ccc(=O)n1C2 4237426 XLNSQOCPGRAXJO-DOTOQJQBSA-N 428.579 3.889 0 40 IHAB biogenic,in-vitro CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1ncnc2sc(C)c(C)c12 6547796 QVCSKDVWAGHNLW-INIZCTEOSA-N 429.567 3.691 0 40 IHAB COc1cccc(-c2csc(N3C[C@@H](C(=O)OCC(=O)c4cccs4)CC3=O)n2)c1 8384334 CHGFXIQEWBOMEJ-AWEZNQCLSA-N 442.518 3.659 0 40 IHAB COc1ccc(Br)cc1CN1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O 8752710 VFOFMRNKVIXRCC-NRFANRHFSA-N 429.314 3.914 0 40 IHAB CCc1cc(=O)oc2c3c(cc(OCC(=O)N=c4[nH]c5ccccc5[nH]4)c12)OC(C)(C)CC3 8791877 QLIKWMGTKYGRNG-UHFFFAOYSA-N 447.491 3.775 0 40 IHAB biogenic CCN(C(=O)/C=C/c1cn(Cc2ccccc2)nc1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 8825426 MPZGJNNKYWVLHX-ZVQQDINOSA-N 449.576 3.647 0 40 IHAB CCCSc1ncc(Cl)c(C(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)n1 8868527 VOBWGLLSVCQQNQ-LBPRGKRZSA-N 446.019 3.523 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 9041113 YTLMLAKKQFXIFB-UHFFFAOYSA-N 433.489 3.940 0 40 IHAB O=C(Nc1cccc(Br)c1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 9069174 PZTBAQLAYRJESV-MRXNPFEDSA-N 443.750 3.894 0 40 IHAB COc1ccc(OCC(=O)Nc2ccc3c(c2)nc(CCN2CCC(C)CC2)n3C)cc1 9124472 BZDKDBHJAVWGGZ-UHFFFAOYSA-N 436.556 3.874 0 40 IHAB CCOC(=O)c1c(N)n(-c2cccc3ccc(C(=O)O)nc23)c2nc3ccccc3nc12 9144777 UCKPGZCZLMNWLE-UHFFFAOYSA-N 427.420 3.579 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CNc2ccc(Cl)cc2F)c1 9255010 CLVNHFWOBLCOAV-UHFFFAOYSA-N 427.929 3.869 0 40 IHAB Cc1c(Cl)cccc1N1CCn2c1nc1c2c(=O)n(CCCc2ccccc2)c(=O)n1C 9518782 JZLMUIUACYGNPB-UHFFFAOYSA-N 449.942 3.643 0 40 IHAB COc1ccc(C(=O)NCCc2nnc3ccc(SCc4ccccc4C)nn23)cc1 9578636 BQEVIICIKHGKQI-UHFFFAOYSA-N 433.537 3.706 0 40 IHAB C[C@]12CCC(=O)N1[C@H](C(=O)OCC(=O)N1c3ccccc3Sc3ccccc31)CS2 9587967 XSDHSSHPFFKYRW-AOMKIAJQSA-N 440.546 3.813 0 40 IHAB CC(=O)N1C[C@H](C(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2)Oc2ccccc21 9593270 QRACRHRYZWOLTI-HSZRJFAPSA-N 429.476 4.000 0 40 IHAB O=C(NC[C@H](c1ccco1)N1CCc2ccccc21)C(=O)Nc1ccc(F)c(Cl)c1 9708717 ZGROMMOJBJJHNN-LJQANCHMSA-N 427.863 3.931 0 40 IHAB CC[C@H](Sc1nc(O)c(Cc2ccccc2)c(=O)[nH]1)C(=O)Nc1ccc(C(C)=O)cc1 10076980 PBWNWVMNPXJGQL-IBGZPJMESA-N 437.521 3.778 0 40 IHAB Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCc4ccccc4C3)cc2)c1 10078045 OLXMNZDPPLJJHZ-UHFFFAOYSA-N 436.533 3.760 0 40 IHAB Oc1ccc([C@@H]2c3c(-c4ccc(Cl)cc4Cl)nnc(O)c3Nc3nnnn32)cc1 10298340 UHKLENLWOYYNQP-MRXNPFEDSA-N 428.239 3.543 0 40 IHAB Cc1cc(I)ccc1NC(=O)c1ccc(C)c(NS(C)(=O)=O)c1 10315080 AOYXLAKLZRNHCG-UHFFFAOYSA-N 444.294 3.532 0 40 IHAB O=C(NCCS(=O)(=O)N1CCc2ccccc2C1)C1(c2ccc(Cl)cc2)CCCC1 10704989 WGSFREKJMCAJQK-UHFFFAOYSA-N 447.000 3.656 0 40 IHAB CCOc1cc(Nc2ccc(NS(=O)(=O)c3ccc(OC)c(OC)c3)cc2)nc(C)n1 12226270 NCABYVAOUYDBLB-UHFFFAOYSA-N 444.513 3.745 0 40 IHAB CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCCN3C(=O)c3cc(C)c(C)[nH]c3=O)cc2n1 12230210 MUDHLTYVKBOJNO-KRWDZBQOSA-N 447.461 3.983 0 40 IHAB C[C@H](Sc1nnc(Cc2cccs2)n1-c1ccccc1)C(=O)NC[C@H]1CCCO1 12512417 KKKCJSIQZGOHHW-DOTOQJQBSA-N 428.583 3.695 0 40 IHAB Cc1cccc(N2CCN(C(=O)CN(C)Cc3c(C)nn(-c4ccccc4)c3C)CC2)c1 12544991 NOOUNQYPRXLENX-UHFFFAOYSA-N 431.584 3.578 0 40 IHAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 12548487 JNMIOQXTGQOHPW-SPLOXXLWSA-N 442.468 3.794 0 40 IHAB C[C@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)c2cccc(N3CCCC3=O)c2)C1=O 12567905 SSVFWCQDVKRNOY-AREMUKBSSA-N 441.487 3.617 0 40 IHAB C[C@@H](Sc1nnc(-c2cc3c(s2)CC[C@H](C(C)(C)C)C3)n1C)C(=O)N1CCNC1=O 12600945 ZHDKBVFURPBVHU-OCCSQVGLSA-N 447.630 3.727 0 40 IHAB Cc1csc(S[C@H](C)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)n1 13005756 RDDROXGIFIUAID-CQSZACIVSA-N 425.601 3.745 0 40 IHAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)c1 13028962 HXPXWGJQQBQAGA-JXMROGBWSA-N 446.956 3.634 0 40 IHAB O=C(CSc1nnc(Cc2cccs2)n1C1CC1)Nc1ccc2c(c1)OCCO2 13114743 WPWQZHMSUAEKMA-UHFFFAOYSA-N 428.539 3.767 0 40 IHAB O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 13115599 UYUDDEFGNRZNAD-OALUTQOASA-N 435.549 3.969 0 40 IHAB Cn1c(CNS(=O)(=O)c2ccccc2C(F)(F)F)nnc1SCc1ccccc1 13565263 JJBIUTPPPFEAIZ-UHFFFAOYSA-N 442.488 3.605 0 40 IHAB CC[C@H](C(=O)Nc1cc(OC)ccc1OC)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714226 MFRMPZGXDVHIGC-QGZVFWFLSA-N 426.922 3.541 0 40 IHAB O=C(NCC1(N2CCOCC2)CCCCC1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 14070406 MQAFBJZQSOSANW-XMMPIXPASA-N 448.563 3.906 0 40 IHAB CN(Cc1ccc(Cl)s1)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1N 14119603 ZZHGUZKXQFQLSO-UHFFFAOYSA-N 428.370 3.778 0 40 IHAB CCOc1cc(/C=C(\Cl)c2nc3ccccc3c(=O)[nH]2)ccc1O[C@H](C)C(=O)N(C)C 14196891 CLCBJDHPXCWBGR-MTOJCTJASA-N 441.915 3.914 0 40 IHAB C[C@@H](OC(=O)CCn1nc(-c2cccs2)oc1=O)C(=O)C12CC3CC(CC(C3)C1)C2 16366664 HJKPDOICNWCJHX-ZHHULCEESA-N 430.526 3.672 0 40 IHAB CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)[C@@H]2COc3ccccc3C2)cc1 16962780 TZTNBKUBBHWLTL-SFHVURJKSA-N 428.554 3.830 0 40 IHAB COC(=O)c1ccc(C(=O)OC)c(NC(=S)Nc2sc(C)c(C)c2C(=O)OC)c1 17100261 DWDZPISPKQPICJ-UHFFFAOYSA-N 436.511 3.534 0 40 IHAB COc1ccc([C@@H]2CN(Cc3cccc(C)c3OC)C[C@H]2c2cc(=O)[nH]c(C)n2)cc1OC 19236013 PKUKAIXPNMMUHK-LEWJYISDSA-N 449.551 3.796 0 40 IHAB CCOC(=O)c1c(NC(=O)CCc2c(C)nc3nc(SC)nn3c2C)sc(C)c1C 19684016 PUWRSINBFZCXSZ-UHFFFAOYSA-N 447.586 3.889 0 40 IHAB CN(C)c1ncc(-c2ccccc2)c([C@@H]2CCCN2C(=O)c2ccc3c(c2)OCCO3)n1 19690424 DMTLSDNBLSJWAM-FQEVSTJZSA-N 430.508 3.958 0 40 IHAB Cc1nnsc1C(=O)N1CCC[C@H](c2nc(C)c3c(n2)N(Cc2ccccc2)CCC3)C1 19706922 MLXDPIABYJRMCT-IBGZPJMESA-N 448.596 3.918 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(C)cc1 20006891 HKBPAXZKOVROLK-OAQYLSRUSA-N 438.549 3.840 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)c(Cl)c1 20454003 KZEZPUNERMDMSK-UHFFFAOYSA-N 438.933 3.538 0 40 IHAB CN(Cc1ccc(Cl)cc1)C(=O)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 20459434 ITJYTZIICVGQSR-UHFFFAOYSA-N 438.952 3.680 0 40 IHAB CC(=O)N1CCC2(CC1)CC(=O)c1ccc(OCC(=O)Nc3cccc(Cl)c3)cc1O2 20734127 DIDPKYQRABKLBD-UHFFFAOYSA-N 442.899 3.704 0 40 IHAB COc1ccc2cc(CNC(=O)CNC(=O)c3ccc(Br)cc3)ccc2c1 21123758 QNIGUGJFEPFCTB-UHFFFAOYSA-N 427.298 3.657 0 40 IHAB COC(=O)C1CCN(C(=O)CSc2nc(-c3ccccc3)c3c(C)cc(C)nn23)CC1 21722509 BVFBNRXVARMYGQ-UHFFFAOYSA-N 438.553 3.517 0 40 IHAB Cc1noc(C)c1COc1ccc(C(=O)OCC(=O)N2CCc3sccc3C2)cc1 22313884 SXHHMNXRXDDONH-UHFFFAOYSA-N 426.494 3.674 0 40 IHAB O=C(CN1Cc2ccccc2C[C@H]1C(=O)N1CCCC1)Nc1ccccc1C(F)(F)F 22406663 NKKKVMDSAJSFIT-FQEVSTJZSA-N 431.458 3.693 0 40 IHAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1Cl 22536158 CQLWEVCLBXKILK-MRXNPFEDSA-N 438.977 3.772 0 40 IHAB O=C(Nc1ccc2c(c1)OCCO2)c1ccccc1NS(=O)(=O)c1cccnc1Cl 22757431 YTWAUJRTRXDAGS-UHFFFAOYSA-N 445.884 3.559 0 40 IHAB CCOc1ccccc1C(=O)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 24634821 BFXDCJUSMGKKGP-UHFFFAOYSA-N 426.904 3.747 0 40 IHAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 24871627 NHNYFVAXKXZGPD-CYBMUJFWSA-N 437.587 3.522 0 40 IHAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@H](c1ccc(C(F)(F)F)cc1)SCC(=O)N2 31807315 LLKZZFIGSVQDLH-HNNXBMFYSA-N 445.430 3.641 0 40 IHAB COc1ccc(-c2nc(C(=O)NC[C@@H](c3ccccc3OC)N(C)C)cs2)cc1OC 32204229 CYBQQCZPUMLLSO-SFHVURJKSA-N 441.553 3.869 0 40 IHAB CCN(CC)[C@@H](CNC(=O)N1CCN(Cc2cccs2)CC1)c1cccc(OC)c1 32802486 VFLJLZWMDUHODQ-QFIPXVFZSA-N 430.618 3.667 0 40 IHAB CN1CCN(c2ccc(NC(=O)c3ccccc3C(=O)c3ccc(Cl)cc3)cn2)CC1 32905476 QSDJUKBTUFGZTG-UHFFFAOYSA-N 434.927 3.970 0 40 IHAB O=C(CCc1nc(CSc2nc(-c3ccco3)n[nH]2)no1)Nc1ccc(Cl)cc1 33087451 OGBLYKJCDTYDDM-UHFFFAOYSA-N 430.877 3.965 0 40 IHAB COc1ccccc1CNC(=O)c1sccc1N(C)S(=O)(=O)c1ccc(C)cc1 33141729 SHMPLYWSOMVUNU-UHFFFAOYSA-N 430.551 3.820 0 40 IHAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4ccccc4C)c3C)C2=O)o1 33528484 PZPRBGWPZNMLFX-UNOMPAQXSA-N 433.464 3.875 0 40 IHAB COc1cccc(NC(=O)CSc2nnc(NC(=O)c3ccc(F)cc3F)s2)c1 35312272 JENNYKAXKHWKIZ-UHFFFAOYSA-N 436.465 3.808 0 40 IHAB CCc1ccc(NC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccc(C)cc3)c2=O)cc1 35396721 NQNMJDDQVXVMFR-UHFFFAOYSA-N 438.549 3.807 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N[C@@H](C)CCc2ccccc2)cc1C 39986223 RKUYWOJBMQTAOM-IBGZPJMESA-N 432.586 3.542 0 40 IHAB C[C@H]1CCC[C@H](C)N1C(=O)c1cc(Cl)ccc1NCC(=O)Nc1ccc(C(N)=O)cc1 40135351 NFRLTMSZVMACNT-GJZGRUSLSA-N 442.947 3.893 0 40 IHAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 40148915 OFEMKNYSZSQUJI-OAHLLOKOSA-N 440.935 3.860 0 40 IHAB Cc1ccc(C(=O)Nc2ccc(C)cc2OCc2cc(=O)n3c(ncn3C(C)C)n2)cc1 41089815 ZHOYOWNNOXEWID-UHFFFAOYSA-N 431.496 3.920 0 40 IHAB CCOc1cc(CNC(=O)CCn2nc(-c3ccc(C)c(C)c3)ccc2=O)ccc1OC 41255043 NYUNNVVLJJPNCI-UHFFFAOYSA-N 435.524 3.641 0 40 IHAB COc1ccccc1N1CCN(Cn2nc([C@H]3COc4ccccc4O3)oc2=S)CC1 57733756 KGUJKJRYNOUTAI-HXUWFJFHSA-N 440.525 3.506 0 40 IHAB O=C(NCc1ccc(N2CCCCCC2)nc1)[C@H]1CCCN(C(=O)c2cccs2)C1 58010111 KLBZQTSBURZRCC-IBGZPJMESA-N 426.586 3.692 0 40 IHAB O=C(CCC(=O)N1CCN(c2cccc(Cl)c2)CC1)Nc1nnc(C2CCC2)s1 61717779 NLUIYNNCHFRTQA-UHFFFAOYSA-N 433.965 3.527 0 40 IHAB COc1ccc(CN2CCC[C@H]([C@H](NC(=O)[C@@H]3CCCO3)c3ccccn3)C2)c(C)c1C 72330580 VNYUVYKEONCXHA-TUSQITKMSA-N 437.584 3.956 0 40 IHAB NC(=O)c1cccc(-c2cccc([C@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)n2)c1 72349076 DYGBOLBXWAFGEP-SFHVURJKSA-N 439.512 3.555 0 40 IHAB COc1ccc(Cl)cc1C(=O)N1CCN(C)C(=O)[C@H]1Cc1cccc(-c2cccnc2)c1 72351727 LVLPXZSEHHTGCK-JOCHJYFZSA-N 449.938 3.936 0 40 IHAB O=S(=O)(Cc1ccccc1Cl)N1CCC[C@@H]1c1cncc(Nc2ccccn2)n1 72376367 DYDJMQFCVDOLFL-GOSISDBHSA-N 429.933 3.936 0 40 IHAB COC(=O)c1nc(NC(=O)Cc2nn(C(C)C)c(=O)c3ccccc23)sc1CC(C)C 72400905 ZLMHOAFECHVTQW-UHFFFAOYSA-N 442.541 3.600 0 40 IHAB COc1ccc(-c2cc(N3CCC(C(=O)NCc4nc5ccccc5[nH]4)CC3)ncn2)cc1 77099691 FIYJKULBLAVCKT-UHFFFAOYSA-N 442.523 3.561 0 40 IHAB COC(=O)CCNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCCC2 79483347 GEFLJGWIINQKOG-JOCHJYFZSA-N 426.557 3.941 0 40 IHAB CN1C[C@H](C(=O)Nc2ccc3oc(-c4cc(F)ccc4Br)nc3c2)CC1=O 83877388 YSWASCBVRHZFPB-SNVBAGLBSA-N 432.249 3.813 0 40 IHAB O=C(NCc1ncc(-c2ccccc2)o1)[C@@H]1CCN(c2ccccc2Br)C1=O 84563023 YDYNAXIQZRYHIC-HNNXBMFYSA-N 440.297 3.773 0 40 IHAB COCCOc1ccccc1C(=O)N(C)CC1CCN(C(=O)Nc2ccccc2)CC1 89340277 AYAVLWARJYNBKQ-UHFFFAOYSA-N 425.529 3.728 0 40 IHAB Cn1ncc(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)c1C(F)F 89741040 LWPVMHOFXCUJSS-KRWDZBQOSA-N 428.439 3.834 0 40 IHAB Cc1ccc(NC(=O)c2cc(-c3cnc(N4CCOCC4)nc3)cn2CC2CC2)cc1F 96037713 OWILNCULCAVCCE-UHFFFAOYSA-N 435.503 3.892 0 40 IHAB CN1CCN(Cc2ccccc2)C[C@@H]1c1nnc2ccc(C(=O)Nc3ccccc3F)cn12 96268014 IIXKESDGITZSMU-JOCHJYFZSA-N 444.514 3.609 0 40 IHAB CO[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2c2nc(N(C)C)ncc2-c2cc(C)no2)CC1 100158003 VVJHJJUIJDGQBY-SCTDSRPQSA-N 427.549 3.765 0 40 IHAB COc1cccc2c1O[C@@]1(C)C[C@H]2[C@@H](S(=O)(=O)c2ccc(C(C)C)cc2)C(=O)N1C 100894859 ZZWVBVTUIWYUAT-AAIMPIBUSA-N 429.538 3.715 0 40 IHAB CCOc1ccc(N2C(=O)C[C@@H](N3CCN(c4ccc(Cl)c(Cl)c4)CC3)C2=O)cc1 100955163 PCFZJCAHORDDIY-HXUWFJFHSA-N 448.350 3.846 0 40 IHAB C[C@H](C(=O)Nc1ccc(F)cc1Cl)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C 104689869 KEGBXCHDKWXVDT-ZIAGYGMSSA-N 446.910 3.502 0 40 IHAB CC[C@H](C(=O)N[C@@H]1CC(C)(C)Oc2cc(C)ccc21)N(c1ccccc1)S(C)(=O)=O 219086546 TUUSOKZOFQTRQM-WOJBJXKFSA-N 430.570 3.958 0 40 IHAB CC[C@H](C(=O)NCCCc1ccccc1OC)N(c1cccc(Cl)c1)S(C)(=O)=O 219092101 GRQAQXWWQXBYEZ-LJQANCHMSA-N 438.977 3.642 0 40 IHAB CCOc1cccc(NC(=O)[C@@H](CC)N(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)c1 220751723 HDWNHYOMBBHBSE-GOSISDBHSA-N 440.949 3.931 0 40 IHAB CC[C@@H](NS(=O)(=O)c1ccc(SC)c(NC(C)=O)c1)c1ccc(OC)c(OC)c1 222746580 ZGBUGNHPZUZNIA-MRXNPFEDSA-N 438.571 3.814 0 40 IHAB C[C@H](NC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O)c1ccc2c(c1)CCCC2 223003834 OANVRXSOQBZWGW-INIZCTEOSA-N 434.989 3.858 0 40 IHAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2-c2ccccc2)cc1OC 223732062 NRGHOFPTKLNZME-UHFFFAOYSA-N 440.521 3.630 0 40 IHAB CCOc1cccc(CN(C)S(=O)(=O)c2ccc(SC)c(C(=O)N3CCCC3)c2)c1 223890960 XOASBTKGOWUCHL-UHFFFAOYSA-N 448.610 3.864 0 40 IHAB Cc1ccc(OCCNC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)cc1Cl 224178231 XXZLSWSTPRLDGB-UHFFFAOYSA-N 438.977 3.698 0 40 IHAB CCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1ccc(Cl)c(C)c1 224544910 PNVGOJBXMBKZQY-NRFANRHFSA-N 432.948 3.979 0 40 IHAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc2c(c1)OCCO2 224844151 ANMHJCSPPSJFDS-QGZVFWFLSA-N 444.959 3.987 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=S)NCc1ccc(Cl)cc1 225209663 XUDCLUYBKMHRGC-UHFFFAOYSA-N 439.990 3.620 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)Nc1ccc(F)c(F)c1 225246026 XMCGULAFMXXOQG-UHFFFAOYSA-N 438.496 3.719 0 40 IHAB CCSc1ccccc1C(=O)N1CCC(c2cc(C(=O)NCC(F)(F)F)[nH]n2)CC1 225563967 NZDXUZFCOVDGPR-UHFFFAOYSA-N 440.491 3.834 0 40 IHAB CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(OCCN5CCCC5=O)cc4)OCC[C@@]31C2 257318834 VPOQENVVVJZYGO-VSCLMIGZSA-N 440.584 3.706 0 40 IHAB Cc1ccc(N([C@H](C)C(=O)NCCOc2ccccc2C(C)(C)C)S(C)(=O)=O)cc1C 260930988 LTQOPXQKLFDNMT-LJQANCHMSA-N 446.613 3.951 0 40 IHAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCC(C)C)c(Cl)c2)cc1 408618934 GVPUTBBVMPUPQZ-UHFFFAOYSA-N 440.949 3.691 0 40 IHAB CCCC[C@H](C(=O)OCC(=O)Nc1ccccc1Cl)N1C(=O)c2ccccc2C1=O 408654269 BCONGMRTBKTXJI-GOSISDBHSA-N 428.872 3.677 0 40 IHAB CCOC(=O)c1ccc(/C=C2\N=C(c3cccc(I)c3)OC2=O)cc1 408729926 FEBDBTRMVRQLHI-YBEGLDIGSA-N 447.228 3.812 0 40 IHAB COc1cc(OC)c(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc1Br 409094816 GHEMQACRSLEVPN-OVCLIPMQSA-N 435.249 3.698 0 40 IHAB CCn1c(SCC(=O)Nc2ccccc2F)nnc1[C@H](C)NC(=O)c1ccc(C)cc1 409139227 BVEFIJOKAHWJNE-HNNXBMFYSA-N 441.532 3.967 0 40 IHAB Cc1ccccc1C(=O)NCc1nn(CC(=O)Nc2ccc3ccccc3c2)c(=S)n1C 409152603 KKIOXDFGOBOBCI-UHFFFAOYSA-N 445.548 3.981 0 40 IHAB O=C(CN1C(=O)S/C(=C/c2ccc(O)cc2)C1=O)Nc1ccccc1Br 409342447 FBENNLXHSCTBJV-OQLLNIDSSA-N 433.283 3.830 0 40 IHAB O=C(/C=C/c1cccs1)NC(=S)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 1298171 BRQYEEXFDJUZJM-FMIVXFBMSA-N 449.623 3.839 0 40 IHAB CCSc1nnc(C(F)F)n1NC(=O)[C@H](C)n1nc(C(F)(F)F)c(Cl)c1C 2791030 FNUDRUFPOLJYHD-LURJTMIESA-N 432.806 3.836 0 40 IHAB CN(C)Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)c2ccccc2)C1 4237213 SIZRHCAKZCHFGH-SIKLNZKXSA-N 427.548 3.836 0 40 IHAB biogenic,in-vitro CC(=O)O[C@H]1C[C@]2(C)[C@H](C(C)=O)CC[C@@H]2[C@H]2CC[C@H]3CC4(CC(=O)[C@]3(C)[C@H]12)OCCO4 5043695 RUQBPCMPFRJFIH-HYWLWUHVSA-N 432.557 3.698 0 40 IHAB COCCn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1ccc(OC)cc1 6905345 MCVYZOBGJGYHTI-UHFFFAOYSA-N 438.553 3.672 0 40 IHAB CC1CCN(C(=O)CSc2nc3c(c(=O)n2Cc2ccccc2)S[C@@H](C)C3)CC1 8661563 VTBRXINQVOMKJO-INIZCTEOSA-N 429.611 3.679 0 40 IHAB CCc1ccc2oc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)cc(=O)c2c1 8917659 WFJLDUKGLCGVFR-UHFFFAOYSA-N 440.521 3.782 0 40 IHAB CC[C@H](C)[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)NCCCc1ccccc1 9130107 XJIMJUWHVLWAFC-AVRDEDQJSA-N 433.556 3.730 0 40 IHAB CSc1cccc(NC(=O)CSc2nnc(CNC(=O)c3cccc(C)c3)n2C)c1 9305131 NVMOBXYTPRCWNC-UHFFFAOYSA-N 441.582 3.506 0 40 IHAB Cn1ccnc1SCC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)OCCCO3)cc1 9378220 BZKQNXGMQRCHPR-UHFFFAOYSA-N 438.509 3.565 0 40 IHAB Cc1ccccc1-n1nc2c(c1NC(=O)c1ccccc1Br)C[S@](=O)C2 9413505 OOHMFLUQGHZBBE-AREMUKBSSA-N 430.327 3.958 0 40 IHAB CCOc1ccc(CN(C(=O)Cc2coc3ccc(C)cc23)[C@@H]2CCS(=O)(=O)C2)cc1 9430854 CNZZBSLWIVKEGP-HXUWFJFHSA-N 441.549 3.898 0 40 IHAB Cc1c(Cl)cccc1N1C[C@@H](C)Cn2c1nc1c2c(=O)n(CCC(C)C)c(=O)n1C 9519274 RBZMDOJRZFDDDM-CQSZACIVSA-N 429.952 3.692 0 40 IHAB Cc1cc(C)c2nc(N(CCN(C)C)C(=O)c3ccc(S(C)(=O)=O)cc3)sc2c1 9707980 HSNXXAZZHRYWIP-UHFFFAOYSA-N 431.583 3.525 0 40 IHAB O=C(NCc1ccc(Cl)cc1)C(=O)NC[C@@H](c1cccs1)N1CCc2ccccc21 9708266 GCFBMEPBSYNAQK-FQEVSTJZSA-N 439.968 3.938 0 40 IHAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)Cn2cnc3sccc3c2=O)cc1 9795616 HAIYMZREYDVUJA-OAQYLSRUSA-N 444.516 3.845 0 40 IHAB CC(C)(C)c1ccc(CCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 10433930 BEPLTFKHDZXIQQ-UHFFFAOYSA-N 430.570 3.576 0 40 IHAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)OCC(=O)N1C(C)(C)CC(=O)CC1(C)C 11747983 FOCRTHALINWZFP-UHFFFAOYSA-N 431.920 3.740 0 40 IHAB Cc1cc(C(=O)CN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)c(C)n1CC(F)(F)F 12695839 HCMJULLORDMQQY-OAQYLSRUSA-N 435.446 3.793 0 40 IHAB Cc1ncc(C(=O)N2CCC(c3nc4ccccc4cc3C(=O)N3CCCC3)CC2)c(C)n1 12741369 RZTOGQJLRBUDOU-UHFFFAOYSA-N 443.551 3.897 0 40 IHAB C[C@H]1CC[C@H](c2cccn2C)N(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)CC1 12803735 VQBACKJNZSQYMZ-MGPUTAFESA-N 437.993 3.932 0 40 IHAB CN1CCN(C(=O)c2nn3c(c2Cl)N[C@H](c2cccs2)C[C@H]3C(F)(F)F)CC1 12849783 XEFMATUEOYHSME-JQWIXIFHSA-N 433.887 3.646 0 40 IHAB COc1ccc(-n2c(SCC(=O)N(C)C)nc3sc4c(c3c2=O)CCCS4)cc1 12974685 LDQPAGUWHOSVNM-UHFFFAOYSA-N 447.607 3.674 0 40 IHAB COc1ccc(NC(C)=O)cc1NC(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 12978056 NYLUQCANRLCGQB-HJFDCUHHSA-N 439.556 3.800 0 40 IHAB COC(=O)CCCCCNc1nc(CN2CCOCC2)nc2sc3c(c12)CC[C@@H](C)C3 12997911 OVDPSXAKTMXLMC-MRXNPFEDSA-N 446.617 3.794 0 40 IHAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CCC(=O)Nc1cccc(C)c1C)n2CC(C)C 13039553 SLHKSEJGWRQLHT-UHFFFAOYSA-N 439.560 3.531 0 40 IHAB COc1ccc(Oc2c(C)oc3cc(OCC(=O)NC[C@H]4CCCO4)ccc3c2=O)cc1 13550653 YXMJNLVBOXLTFW-LJQANCHMSA-N 439.464 3.576 0 40 IHAB CCS(=O)(=O)N(CC(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1)c1ccc2c(c1)OCO2 13669711 XXTAFMCWKOGMGZ-MRXNPFEDSA-N 446.569 3.746 0 40 IHAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 13792713 VRWIJAUMZBWKNN-CQSZACIVSA-N 434.370 3.870 0 40 IHAB COC(=O)Nc1nc2cc([C@@]3(O)c4ccccc4C(=O)N3Cc3ccccc3)ccc2[nH]1 13986571 XIASUMPJIFQSHT-XMMPIXPASA-N 428.448 3.591 0 40 IHAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 14202269 ABLGYVBJVOXQBK-DEOSSOPVSA-N 445.563 3.968 0 40 IHAB CCSc1nnc(NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C)s1 17750982 KPKRPMNLJNRITR-UHFFFAOYSA-N 431.572 3.658 0 40 IHAB Cc1cccc([C@H](Cc2cc(N(C)C)nc(C3CC3)n2)NC(=O)Cn2nc(C)c(C)c2C)c1 19234451 UGMKPXSEUUPNPB-QHCPKHFHSA-N 446.599 3.950 0 40 IHAB O=C(c1ccc(O)nn1)N1CCC[C@H](c2nc(Nc3cccc(F)c3)n3ccsc23)C1 19294209 GQYHNYXBDWGCKI-ZDUSSCGKSA-N 438.488 3.794 0 40 IHAB CC(=O)Nc1cccc([C@@H]2CN(C(=O)[C@H](C)c3ccccc3)C[C@]23CCCCC(=O)N3)c1 19459375 KGKWSRLSASWRMZ-KXVHNFKESA-N 433.552 3.804 0 40 IHAB CCN1CCN(C(=O)[C@@H](C)n2nccc2C)C[C@@H](Cc2ccccc2-c2ccccc2)C1=O 19527632 WAGVPMAJKGLTCM-ZJSXRUAMSA-N 444.579 3.969 0 40 IHAB CCNC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CN(C(=O)C2CCCCC2)CCO1 19529233 OCCXZKPDMLEVPA-SANMLTNESA-N 435.568 3.605 0 40 IHAB CN(C)C(=O)c1sc2ncccc2c1[C@H]1CCN(C(=O)COc2ccc(F)cc2)C1 19702306 SDTDKASNNAZBNO-AWEZNQCLSA-N 427.501 3.532 0 40 IHAB CN(C)c1nc2ccccc2cc1CN1CCO[C@@H](c2cc(C(N)=O)c3ccccc3n2)C1 19759613 IFYHWKORQXZWOY-XMMPIXPASA-N 441.535 3.521 0 40 IHAB O=C(Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)OCC(=O)c1ccccc1 22034772 WLDQSPPSBVXHMP-UHFFFAOYSA-N 427.453 3.595 0 40 IHAB Cc1ccc(CNC(=O)COc2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1 22230979 BDCFAFZTZHQUQR-UHFFFAOYSA-N 438.549 3.656 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)Nc1cc(C)ccc1OC 22248777 XMYSNLGTJNVARG-UHFFFAOYSA-N 440.949 3.705 0 40 IHAB COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)Cc1coc2cc3c(cc12)CCC3 22848229 MVQPDBXRFASIEP-UHFFFAOYSA-N 440.521 3.552 0 40 IHAB Cc1cc2nn(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)c(=S)n2c2ccccc12 22917987 HPVUACOPGDVCBA-UHFFFAOYSA-N 447.564 3.831 0 40 IHAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 24244608 LIHOYHZRTYUESX-UHFFFAOYSA-N 440.308 3.657 0 40 IHAB COc1cc(/C=C/C(=O)N2CCC(c3nnc4ccccn34)CC2)cc(Cl)c1OC 24327651 LXHNYSDQAXRQHY-VOTSOKGWSA-N 426.904 3.819 0 40 IHAB CCc1nc2ccccc2c(C)c1C(=O)OCC(=O)N[C@H](c1ccccc1)c1nccn1C 24903135 PEVVCZWDGLXHOT-XMMPIXPASA-N 442.519 3.902 0 40 IHAB CN(C)[C@H](CNC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1)c1ccccc1Cl 25377668 ZKKRIEWIBCHXAQ-HXUWFJFHSA-N 446.956 3.940 0 40 IHAB CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1 27400583 OHROTIONZZEGSB-QGZVFWFLSA-N 426.460 3.961 0 40 IHAB CN(C)S(=O)(=O)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(Cl)c1 28207955 LZCRTIXKKIAYAA-UHFFFAOYSA-N 436.839 3.627 0 40 IHAB CC(C)(C)c1ccc([C@@H](CNC(=O)c2cc3ccccc3oc2=O)N2CCOCC2)cc1 28292453 FJTVORKJNWPTRG-JOCHJYFZSA-N 434.536 3.894 0 40 IHAB CCn1c(SCC(=O)Nc2ccc(OC)c(OC)c2)nnc1-c1ccc(OC)cc1 32604155 IYXWXAHJJDJBHF-UHFFFAOYSA-N 428.514 3.722 0 40 IHAB CCOc1ccccc1NC(=O)NCc1cc(=O)n2nc(-c3ccc(C)cc3)sc2n1 32996029 YLHWCLXGMOXXBW-UHFFFAOYSA-N 435.509 3.847 0 40 IHAB COc1cc(OC)c(NC(=O)CSCc2cc(=O)n3ccc(C)cc3n2)cc1Cl 33026766 ATEMKVBNDBFLPS-UHFFFAOYSA-N 433.917 3.545 0 40 IHAB COc1ccc(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)CC3)c(OC)c1 33088993 CQYUHUCBBVWTLI-UHFFFAOYSA-N 429.270 3.590 0 40 IHAB CC(C)C(=O)Nc1ccc2c([C@@H](C(=O)O)N3CCN(Cc4ccccc4)CC3)c[nH]c2c1 36353192 IFCKELSMEIWCOS-QHCPKHFHSA-N 434.540 3.706 0 40 IHAB CCc1ccc(-c2nc(C)c(C(=O)Nc3cc(C)nn3[C@H]3CCS(=O)(=O)C3)s2)cc1 40052038 ZHSBCOYKCXJNSX-KRWDZBQOSA-N 444.582 3.798 0 40 IHAB CCOc1ccc(NC(=O)Cn2cccc(-c3nc(-c4ccc(F)cc4)no3)c2=O)cc1 49002419 QMOUIVNGYLTTGQ-UHFFFAOYSA-N 434.427 3.742 0 40 IHAB Cc1c(Cl)cccc1NC(=O)CN1C(=O)N[C@H](c2cccc(Cl)c2)C2=C1COC2=O 49403040 AVYGJPYCLJTIRW-LJQANCHMSA-N 446.290 3.818 0 40 IHAB O=C(Cn1c(=O)n(-c2cc(F)cc(F)c2)c(=O)c2sccc21)Nc1ccccc1Cl 57428976 JKVIASGTZYTEFW-UHFFFAOYSA-N 447.850 3.784 0 40 IHAB COc1cc(F)ccc1NC(=O)C(C)(C)S(=O)(=O)c1ccc(Br)cc1 58280224 BYSZNKRBTIRUAK-UHFFFAOYSA-N 430.295 3.788 0 40 IHAB CC(=O)N1CCC[C@H](c2ccccc2CC2(C(N)=O)CCN(Cc3ccccc3)CC2)C1 72372432 ZGSXFGNBNZSOMR-DEOSSOPVSA-N 433.596 3.723 0 40 IHAB Cc1nc([C@@H]2CCCN2C(=O)c2ccnn2C)nc2c1CCCN2Cc1ccc(F)cc1 72372910 IQRJKWPIXBOINU-FQEVSTJZSA-N 434.519 3.588 0 40 IHAB COc1cc2c(cc1CN1CCC[C@@H](c3cccc(Nc4ncccn4)n3)C1)OCCO2 72376104 WAOMSPIQBWQEHF-QGZVFWFLSA-N 433.512 3.775 0 40 IHAB CN1CCc2nc([C@@H]3CCCN(C(=O)[C@@H](c4ccccc4)C4CCCCC4)C3)[nH]c(=O)c2C1 72398718 NTNGDOTZDZICGB-QPPBQGQZSA-N 448.611 3.828 0 40 IHAB Cc1cccc(Cn2c(=O)c3nscc3n(Cc3nc(-c4ccccc4)oc3C)c2=O)c1 90610257 OJQXAOKWQGBZAJ-UHFFFAOYSA-N 444.516 3.988 0 40 IHAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CC[C@@H](N(C)Cc3noc(C4CC4)n3)C2)c1 95457981 SFDOVMSGUQQGEW-IEBWSBKVSA-N 426.561 3.879 0 40 IHAB CC(C)N1C(=O)C[C@H](C(=O)NCCc2cn3ccccc3n2)[C@@H]1c1ccc(Cl)c(F)c1 95988722 QYIBFUIZMLJZFA-JTSKRJEESA-N 442.922 3.784 0 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CCn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(N2CCOCC2)cc1 223953892 VXRUWSGVNSFVBF-GOTSBHOMSA-N 433.581 3.917 0 40 IHAB COC(=O)c1cccc(NC(=O)c2ccc(CN(C)S(=O)(=O)c3ccccc3)cc2)c1 224413009 GYWFKQKRKNBWBU-UHFFFAOYSA-N 438.505 3.546 0 40 IHAB CCc1cccc(CC)c1N(CCCC(=O)NCCOCc1ccccc1)S(C)(=O)=O 224827730 CVNLJIYGEIINFJ-UHFFFAOYSA-N 446.613 3.691 0 40 IHAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc2c(c1)OCO2 224844260 GIAXIDPZTKKGFZ-MRXNPFEDSA-N 430.932 3.945 0 40 IHAB CC[C@@H](NC(=O)CN(c1cccc(SC)c1)S(C)(=O)=O)c1ccc(OC)c(C)c1 225325021 XCPJJIDCKLLZRJ-LJQANCHMSA-N 436.599 3.759 0 40 IHAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc2c(c1)OCCO2 225691893 ZGKJAWXDNNYBAV-GOSISDBHSA-N 442.531 3.719 0 40 IHAB CCN(c1ccc(C(=O)Nc2nnc(SCc3ccccc3)s2)cc1)S(C)(=O)=O 225738841 GEVDLYUMFYHRQG-UHFFFAOYSA-N 448.595 3.869 0 40 IHAB CC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C[C@@H]([C@@H]5ON=C(c6ccc(Cl)cc6)[C@@H]45)[C@H]3C2=O)cc1 248378528 JUKXLVWUIODHES-FYQGMOLJSA-N 434.879 3.717 0 40 IHAB COc1ccc(CN2CCC[C@@H]([C@](O)(CNC(=O)C(C)(C)C)c3ccccn3)C2)c(C)c1 257318745 VPFAOUPANAXFAV-QFQXNSOFSA-N 439.600 3.661 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCO[C@H](c3cccc(Nc4ccc(F)cn4)n3)C2)cc1C 257321897 WDTHTIZLYKEENW-FQEVSTJZSA-N 442.516 3.738 0 40 IHAB NC(=O)[C@]1(c2ccccn2)CCCN(C(=O)C2(c3ccc(F)cc3Cl)CCCC2)C1 257339408 ZBOZCUZUZZAWCK-HSZRJFAPSA-N 429.923 3.732 0 40 IHAB COc1ccccc1N(CCCC(=O)N[C@H]1CC(C)(C)Oc2ccccc21)S(C)(=O)=O 260512166 UOTRYXWIAXQHDE-SFHVURJKSA-N 446.569 3.660 0 40 IHAB COc1ccc(OC)c(NC(=O)c2cc(I)c(OC)c(OC)c2)c1 408557596 PEFKSRAWHBVDDV-UHFFFAOYSA-N 443.237 3.578 0 40 IHAB COc1cc(NS(=O)(=O)c2ccc(NC(=O)NCC(C)C)cc2)c(OC)cc1Cl 408592329 JXYRZNVJXBAHOR-UHFFFAOYSA-N 441.937 3.936 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(F)cc2F)C1 408593903 QNCSUUYGFAQFRW-LBPRGKRZSA-N 444.887 3.666 0 40 IHAB COC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(C)c(Cl)c2)cc1 408668998 VKJBUPZZRWNXQX-UHFFFAOYSA-N 446.887 3.726 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCCSCc1ccco1)c1cccc(Cl)c1 408677345 CCBARXORDPEEMQ-UHFFFAOYSA-N 430.979 3.529 0 40 IHAB COc1ccccc1/C=[N+]1\NC(=O)[C@H](NC(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(C)cc1 409060114 SUIIFLVMNUDLKM-WSBKAMHLSA-O 448.930 3.673 0 40 IHAB COc1cc2c(cc1/C=C1/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C1=O)OCO2 409065266 HEYJZIGZJNAFDX-UFWORHAWSA-N 440.477 3.716 0 40 IHAB O=C(CNS(=O)(=O)c1ccc(Br)cc1)Nc1cccc(Cl)c1Cl 409145438 QEWYCAVTNVDART-UHFFFAOYSA-N 438.130 3.673 0 40 IHAB COc1cccc(-c2cc(C(=O)N[C@H]3CCN(c4ccc(C(F)(F)F)cn4)C3)n(C)n2)c1 585305329 XKYFJQHUCGIQGZ-INIZCTEOSA-N 445.445 3.518 0 40 IHAB C[C@]1(c2cccc(CNC(=O)N[C@H]3CC[C@@H](c4cccc(Cl)c4)C3)c2)NC(=O)NC1=O 1683703661 GMCICBCQNIPMSK-BVZALQNUSA-N 440.931 3.530 0 40 IHAB COc1ccc2c(=O)n(CC3CCN(c4cnc5cc(Cl)ccc5n4)CC3)cnc2c1 1889281279 HQBVFWQXTNDWEW-UHFFFAOYSA-N 435.915 3.918 0 40 IHAB C[C@]1(C(=O)N2CCO[C@@]3(C2)C(=O)N(Cc2cccnc2)C[C@@H]3c2ccccc2)CC=CCC1 2055793541 RLGHYGFPCGKSTK-DURWQBQJSA-N 445.563 3.552 0 40 IHAB Cc1nc(C2CC2)nc(OCC2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)c1C 2086868788 JSDRYMLGYJAIRE-UHFFFAOYSA-N 447.465 3.723 0 40 IHAB C[C@@H](Sc1nc2sc3c(c2c(=O)n1C)CC(C)(C)OC3)C(=O)Nc1ccccc1 1295230 MAGQQRNLACSGMW-GFCCVEGCSA-N 429.567 3.966 0 40 IHAB O=C(NCCc1ccc(Cl)cc1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 1341932 OQHABDZJXHIRJU-GOSISDBHSA-N 427.353 3.505 0 40 IHAB O=C(CSc1nc2c(c(=O)n1-c1ccc(F)cc1)SCC2)Nc1ccccc1F 2459479 BMPWAESSPQRPJD-UHFFFAOYSA-N 431.489 3.890 0 40 IHAB CC[C@H](C)[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1 3313678 WQOQHBCLOLIZSC-KSSFIOAISA-N 428.476 3.715 0 40 IHAB Cc1nnc2n1N[C@H](c1ccc(Cl)cc1)[C@H](C(=O)c1ccc3c(c1)OCCO3)S2 3337742 PLWOBOHZWJEHQR-IEBWSBKVSA-N 428.901 3.653 0 40 IHAB COc1cc2c(cc1NC(=O)COC(=O)[C@@H]1COc3ccccc3O1)oc1ccccc12 3497431 DXXKEYYFKRZJAH-QFIPXVFZSA-N 433.416 3.916 0 40 IHAB COc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c(OC)c1 3606824 ZHODOUVFJUVBGJ-UHFFFAOYSA-N 426.494 3.781 0 40 IHAB Cn1c(=O)c2c(SCc3cccc(C(F)(F)F)c3)nc(-c3ccco3)nc2n(C)c1=O 4143463 WZXLTFXMRAZJEO-UHFFFAOYSA-N 448.426 3.598 0 40 IHAB CC[C@@H](c1ccc(OCC(=O)N2CC2)cc1)[C@@H](CC)c1ccc(OCC(=O)N2CC2)cc1 5573995 NZPAJNDKGZUJDS-ZEQRLZLVSA-N 436.552 3.816 0 40 IHAB CCc1ccc(CN(C(=O)c2ccc(Br)cc2)[C@H]2CCS(=O)(=O)C2)cc1 8384481 KRTBMILFBFHBNK-IBGZPJMESA-N 436.371 3.841 0 40 IHAB O=C(Cc1csc(SCC(=O)Nc2ccc(Cl)cc2)n1)NCc1ccccn1 8852386 IQNOMABWOXCQEQ-UHFFFAOYSA-N 432.958 3.781 0 40 IHAB COC(=O)c1ccc2nc(NC(=O)c3ccccc3I)sc2c1 8904214 RACCXXVRXYAIDC-UHFFFAOYSA-N 438.246 3.940 0 40 IHAB CCOc1ccc([C@@H]2Nn3c(CC)nnc3S[C@H]2C(=O)Nc2ccccc2OC)cc1 9197820 SVAGAMPOVJOGDS-VQTJNVASSA-N 439.541 3.646 0 40 IHAB CC(C)[C@@H](NC(=O)CSc1nc(-c2ccncc2)n[nH]1)c1ccc2c(c1)OCCCO2 9217913 FBIYBOYRYMBHLG-HXUWFJFHSA-N 439.541 3.634 0 40 IHAB Cc1nnc2n1N[C@H](c1ccc(F)cc1)[C@H](C(=O)Nc1ccc(Br)cc1)S2 9237653 GSFIYJRYAKUIHT-HZPDHXFCSA-N 448.321 3.886 0 40 IHAB CCCc1nnc2n1N[C@H](c1ccc(OC)cc1)[C@H](C(=O)Nc1ccc(OC)cc1)S2 9239114 JSZCYAHILMRIFC-WOJBJXKFSA-N 439.541 3.646 0 40 IHAB CSc1ccccc1NC(=O)CSc1nnc(CC(=O)Nc2ccccc2C)n1C 9263625 JQMFQEYUHZTDOH-UHFFFAOYSA-N 441.582 3.757 0 40 IHAB CCOC(=O)CSc1nnc(NC(=O)c2cc(Br)ccc2Cl)s1 9368368 UPZYVNCWSRUZID-UHFFFAOYSA-N 436.740 3.862 0 40 IHAB Cn1c(CCN2CCCC2=O)nc2cc(NC(=O)c3cccc(Br)c3)ccc21 9418851 ARCUJLSPLKIMLZ-UHFFFAOYSA-N 441.329 3.753 0 40 IHAB O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)Nc1cccc(C(=O)NC2CC2)c1 9514432 PUGPYIYBJIUNKR-UHFFFAOYSA-N 447.564 3.827 0 40 IHAB COc1cccc(C[C@@H]2[C@H](O)c3ccccc3S(=O)(=O)N2Cc2ccccc2)c1OC 9531262 OQUIDDGHCQZMSD-NFBKMPQASA-N 439.533 3.553 0 40 IHAB O=C(C[C@@]1(O)C(=O)N(Cc2cccs2)c2ccc(Br)cc21)c1cccnc1 9575516 LOMOPPMYYOELGK-FQEVSTJZSA-N 443.322 3.913 0 40 IHAB COc1ccc(NC(=O)CN(C)[C@@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 9595481 SHNNIXXALNGOCC-SFHVURJKSA-N 445.519 3.824 0 40 IHAB Cc1nc(SCC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)n(C2CCCC2)c1C 9729768 SZYNCZIGQSLBOK-HXUWFJFHSA-N 447.626 3.927 0 40 IHAB Cc1ccc(S(=O)(=O)NC[C@H](c2cccs2)S(=O)(=O)c2ccc(C)cc2)cc1 9741896 GUNPEAVHPZBTRZ-HXUWFJFHSA-N 435.592 3.858 0 40 IHAB CCN(CC)CCn1c2c(c(SCC(=O)Nc3ccc(C)c(Cl)c3)nc1=O)CCC2 9745405 LWXWPOXNRPQJHA-UHFFFAOYSA-N 449.020 3.766 0 40 IHAB O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CCN(C(=O)c2cccs2)CC1 9765196 QXPFLCLALIBJGW-UHFFFAOYSA-N 443.532 3.594 0 40 IHAB COC(=O)c1sccc1NC(=O)CSc1nnc(Nc2cccc(OC)c2)s1 9964395 DGJMHBDYEALDCH-UHFFFAOYSA-N 436.540 3.869 0 40 IHAB O=C(CNC(=O)NCc1ccccc1)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 10698506 VTQITTBAIYJVRG-QFIPXVFZSA-N 426.520 3.915 0 40 IHAB O=C(Nc1nc2c(s1)CCC2)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1 10811776 ANOIQLJAXVTWLB-LLVKDONJSA-N 431.992 3.529 0 40 IHAB Cn1ccnc1[C@@]1(O)CCCN(c2ncc(-c3cccs3)c(-c3cccnc3)n2)CC1 12221766 QSMPPYVPNDKQAR-HSZRJFAPSA-N 432.553 3.879 0 40 IHAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)c2cccc(O)c2)cc1 12486901 AMGBEAICPNBKRY-HSZRJFAPSA-N 430.460 3.936 0 40 IHAB Cc1cc(NC(=O)CSc2nnc(-c3cccnc3)n2C2CC2)n(-c2ccccc2)n1 12599382 DRMZDKHBBTXHPE-UHFFFAOYSA-N 431.525 3.900 0 40 IHAB NC(=O)[C@@H]1CCCCN1CC(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1 12699220 CIXVNYXZJMEGBE-SFHVURJKSA-N 448.386 3.879 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(NC(=O)COc3ccc(C(C)C)c(C)c3)CC2)cc1 12768661 QBWIQAAWQGRWEU-UHFFFAOYSA-N 444.597 3.775 0 40 IHAB CC(C)CN(Cn1nc(Nc2ccc(F)cc2)sc1=S)[C@@H]1CCS(=O)(=O)C1 12772225 RBLFGPOGBAICCN-OAHLLOKOSA-N 430.596 3.659 0 40 IHAB O=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)c1cccc(Br)c1 12806583 XWEXESJLKNXRCA-UHFFFAOYSA-N 437.359 3.554 0 40 IHAB CN(Cc1cccc(Cl)c1)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12912490 MTSTYDCQXGVNJO-UHFFFAOYSA-N 447.000 3.888 0 40 IHAB O=C1CCCN1c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1 12996225 NAIMHSYRBFSINL-UHFFFAOYSA-N 432.851 3.964 0 40 IHAB COc1ccc(CNC(=O)CSCCOc2cccc(Br)c2)cc1OC 13017908 NREXUUWRGCBRFX-UHFFFAOYSA-N 440.359 3.895 0 40 IHAB CC(C)(C)c1cc(NC(=O)CSc2nnnn2Cc2ccccc2)n(-c2ccccc2)n1 13128768 BGGLVRZONZIIFZ-UHFFFAOYSA-N 447.568 3.935 0 40 IHAB CCc1ccccc1N(CC(=O)NCCC(C)C)C(=O)CCC(=O)Nc1nccs1 13501916 QKVILEAYQPBOCE-UHFFFAOYSA-N 430.574 3.620 0 40 IHAB CCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1-c1cccc(F)c1 13956272 XTMREQBYUVZMDC-UHFFFAOYSA-N 425.533 3.545 0 40 IHAB COc1ccc(CN2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1 14101293 KCWNBAHUWWFAGK-UHFFFAOYSA-N 429.369 3.899 0 40 IHAB Cc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)o1 14187150 ZZABBDCSUSVBIH-UHFFFAOYSA-N 444.475 3.666 0 40 IHAB O=C(OCc1cc(F)cc2c1OCOC2)c1ccccc1NS(=O)(=O)c1cccs1 14775677 BCSPMWJTIPBYCE-UHFFFAOYSA-N 449.481 3.912 0 40 IHAB COc1ccc(CCN(C)C(=O)c2ccc(Cn3nnc4ccccc43)cc2)cc1OC 15427579 OHWICVDHZSJIQY-UHFFFAOYSA-N 430.508 3.812 0 40 IHAB CC[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1ccc(OC)cc1 15613194 KHOBUJRWFCDTAM-UWJYYQICSA-N 434.533 3.503 0 40 IHAB Cc1cc(C)cc(OCC(=O)NC(=S)Nc2ccc(Br)cc2C(=O)O)c1 16269288 JXVHTYZAGLUSAQ-UHFFFAOYSA-N 437.315 3.656 0 40 IHAB CC(C)NC(=O)[C@]1(Cc2ccc(-c3ccccc3)cc2)CCN(C(=O)c2cnccn2)C1 19449500 UWPKVDLBJGJZPH-SANMLTNESA-N 428.536 3.743 0 40 IHAB CCN(Cc1ccccc1)[C@H](c1cc2cc(OC)ccc2[nH]c1=O)c1nnnn1C(C)(C)C 19526613 KGPQXRZEGQZOFO-JOCHJYFZSA-N 446.555 3.890 0 40 IHAB COc1ccc(CC(=O)N2CCNC(=O)[C@@H](Cc3ccccc3-c3cccs3)C2)cc1 19554275 KKVHRJJLXZDWOY-FQEVSTJZSA-N 434.561 3.784 0 40 IHAB Cc1cc(C)n(CC(=O)N2CCO[C@H](c3nccnc3-c3cccc(C(F)(F)F)c3)C2)n1 19693121 TWKXANCNFVMTME-SFHVURJKSA-N 445.445 3.576 0 40 IHAB CC(=O)N1C[C@H](c2ccc(CN(C)Cc3cccc4ncccc34)cc2)[C@@H](C(=O)N(C)C)C1 19698762 LGEGIEKWNDDWEG-RPBOFIJWSA-N 444.579 3.517 0 40 IHAB Cc1ccc(F)cc1NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl 20022907 CSPBHILXTYHHCH-UHFFFAOYSA-N 440.924 3.980 0 40 IHAB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NCCC[C@@H]1CCCCC1=O 22022853 SEFZOGSQNQESQG-IBGZPJMESA-N 428.554 3.538 0 40 IHAB O=C(Nc1cccc(F)c1)c1ccccc1NS(=O)(=O)c1ccc2oc(=O)ccc2c1 24755905 JSUHYCDMMTYNRL-UHFFFAOYSA-N 438.436 3.985 0 40 IHAB O=C([C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1)N1CCCc2ccccc21 26113445 GHRFQOFZJFFWPP-DEOSSOPVSA-N 448.544 3.763 0 40 IHAB Cc1cccc(N2CCN(CC(=O)NC[C@@H](c3ccccc3Cl)N3CCCC3)CC2)c1 29801912 TVALCHFFFCZIOG-DEOSSOPVSA-N 441.019 3.724 0 40 IHAB Cc1nc(-c2ccc(CCNC(=O)[C@@H]3CCCN(C(=O)c4ccoc4)C3)s2)cs1 30572450 NQCQFMNRYAKDTF-OAHLLOKOSA-N 429.567 3.984 0 40 IHAB Cc1noc(C)c1CSc1ccccc1C(=O)NCc1cccnc1N1CCOCC1 31329132 CVGKCYYFJDNZGP-UHFFFAOYSA-N 438.553 3.745 0 40 IHAB Cc1cccc(-c2n[nH]c(=S)n2CC(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)c1 32412605 NOUYYPMJOSVARY-INIZCTEOSA-N 433.541 3.716 0 40 IHAB O=C(CNc1cccc(OC[C@@H]2CCCO2)c1)Nc1cc(Cl)ccc1-n1cncn1 32776690 ITRLCEGFQWSXIW-SFHVURJKSA-N 427.892 3.529 0 40 IHAB COc1ccc(OCCOc2ccc(/C=c3\sc4nc5ccccc5n4c3=O)cc2)cc1 33690109 GGLBHDZZFIUCKX-KQWNVCNZSA-N 444.512 3.923 0 40 IHAB CNc1ccc(-c2noc([C@@H]3CCCN3Cc3cc(OC)c(OC)c(OC)c3)n2)cn1 35426191 VWKUVFBSQMRAOY-INIZCTEOSA-N 425.489 3.536 0 40 IHAB biogenic,in-vitro O=C(Cn1nnc(-c2ccco2)n1)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 36635939 MXTWGVIGVJPXLF-UHFFFAOYSA-N 434.403 3.638 0 40 IHAB COc1ccccc1NC(=O)CSc1nc(-c2cc(Br)ccc2O)n[nH]1 38182501 HXBDJZYZAADCKC-UHFFFAOYSA-N 435.303 3.679 0 40 IHAB CSc1nc(C(=O)OCc2cc3c(cc2Br)OCCO3)c2ccccn12 48314730 BFHDJJVETBDGKR-UHFFFAOYSA-N 435.299 3.947 0 40 IHAB Cc1cccc(NC(=O)Cn2c(=O)n(Cc3cccc(Cl)c3)c(=O)c3ccccc32)c1 57472897 NZYIZTQNCLAKDV-UHFFFAOYSA-N 433.895 3.812 0 40 IHAB CN(C)C(=O)CN(C)[C@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)c1ccccc1 72309051 FYWPBELOLNMAFS-FQEVSTJZSA-N 426.517 3.649 0 40 IHAB CCN(CC)Cc1cc(CN2CCc3nc(-c4ccncc4)nc(O)c3C2)ccc1OC 72339818 DBBSZRRGSOWOLE-UHFFFAOYSA-N 433.556 3.653 0 40 IHAB Cc1nn(C)cc1S(=O)(=O)N1CCC(c2cccc(Cc3ccccc3Cl)n2)CC1 72350161 BHHKMSXFANQVKC-UHFFFAOYSA-N 444.988 3.936 0 40 IHAB COc1ccc2c(c1)CN(Cc1ccc(OC)c(OC)c1)C[C@]1(CCCN(C)CC1)O2 72394509 LPGWNTNZTQVDLU-RUZDIDTESA-N 426.557 3.962 0 40 IHAB CC[C@@H](C)c1ccc(S(=O)(=O)Nc2nn(-c3ncccn3)cc2Br)cc1 84726833 IWPFIAFKNPXWNB-GFCCVEGCSA-N 436.335 3.739 0 40 IHAB C[C@@H]1CN(CCc2cccc(NC(=O)[C@@H](c3ccccc3F)N3CCOCC3)c2)C[C@@H]1C 95464924 OQEVALRCYGSVKT-OHUGHZGNSA-N 439.575 3.968 0 40 IHAB Cc1cc2c(c(=O)o1)[C@@H](c1ccc3c(c1)OCO3)[C@@H](C(=O)Nc1ccc(Cl)cc1)O2 96336016 METNQRVYFVYZHC-QUCCMNQESA-N 425.824 3.862 0 40 IHAB COC(=O)c1cc(CN(C)CC(=O)Nc2ccc(Br)cc2Cl)oc1C 96994714 DSBCTAJOZFBWDP-UHFFFAOYSA-N 429.698 3.861 0 40 IHAB Cc1n[nH]c(C)c1CCc1nc(-c2ccc(N3CCN(c4ccc(F)cc4)CC3)nc2)no1 97164410 QVAPTCORNVWYHU-UHFFFAOYSA-N 447.518 3.722 0 40 IHAB CCN(CC)Cc1ccc(C(=O)N2CCC(c3cc4nc(C)c(C)c(O)n4n3)CC2)o1 100137315 MFWDYTGGZIXYSD-UHFFFAOYSA-N 425.533 3.506 0 40 IHAB COCCOc1ccc(CN2CCCC[C@@H]2c2cc3nc(C)c(C)c(O)n3n2)cc1OC 100146688 CBRZQDSHXHOSND-HXUWFJFHSA-N 440.544 3.813 0 40 IHAB COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@H]1C[C@H]3C(=O)N[C@H](C)c1cccs1)NC2=O 100181768 SPXLXQRZNGVQNC-NXIRJJFXSA-N 426.538 3.889 0 40 IHAB CCOc1ccccc1N(CC(=O)N[C@@H]1C[C@H]2CC[C@H]1C2)S(=O)(=O)c1ccccc1 101196117 LACZLXZXBOIKAD-CMKODMSKSA-N 428.554 3.585 0 40 IHAB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)OCC(=O)NC(=O)c5cccn5C)(C4)C2)C3)cc1C 101920273 SYVNWMXTALXZCB-KDGKYOGISA-N 448.563 3.980 0 40 IHAB C[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 102085738 IOMNXXYDYIJDSE-XEOBMEEBSA-N 438.833 3.739 0 40 IHAB COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 102862037 KJVGAKSWUZWNON-YTFSRNRJSA-N 430.460 3.755 0 40 IHAB Cc1cc(=O)oc2cc(OCC(=O)NC(=O)N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)c(Cl)cc12 106538363 UJZVHULESKUUKL-HOSILWTGSA-N 432.904 3.784 0 40 IHAB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)cc(OC)c1 108204487 FFNPYBSTBLSTCN-REZTVBANSA-N 434.420 3.657 0 40 IHAB CCOc1ccc(N([C@H](CC)C(=O)N[C@@H](C)c2ccc(OC)cc2)S(C)(=O)=O)cc1 220679181 ONCAMJVCGPMNFI-HRAATJIYSA-N 434.558 3.516 0 40 IHAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc2c(c1)OCCO2 223134575 DEYCRZTXCIGGJI-ZWKOTPCHSA-N 442.531 3.862 0 40 IHAB CCCSc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)s1 223321136 SLYUQLBFGJRHKZ-UHFFFAOYSA-N 440.616 3.776 0 40 IHAB COC(=O)c1ccc(CS(=O)(=O)N(C)Cc2nc(-c3ccc(C(C)C)cc3)no2)cc1 223637924 LMNSVBSAXSOUEJ-UHFFFAOYSA-N 443.525 3.608 0 40 IHAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)cc1Cl 223825836 FMLPNGZLCAPKPM-UHFFFAOYSA-N 442.946 3.998 0 40 IHAB Cc1ccccc1OCCNC(=O)CCCN(c1cccc2ccccc12)S(C)(=O)=O 224682820 WEWKSGNNUBGTHX-UHFFFAOYSA-N 440.565 3.890 0 40 IHAB CCOC(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(Br)cc1 224730753 WAROJJTZSUMOEQ-UHFFFAOYSA-N 442.331 3.525 0 40 IHAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCOc2ccc(F)cc2)cc1 225193621 COJQYNWXFBHAFG-QNGOZBTKSA-N 440.496 3.862 0 40 IHAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc2c(c1)OCCO2 225241947 RAFFXYNWBAEXJX-QZTJIDSGSA-N 442.531 3.862 0 40 IHAB CCc1ccc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1 225503450 VHTPTZYLWBGNPP-QGZVFWFLSA-N 430.570 3.536 0 40 IHAB Cc1nc(N2CCN(C(=O)CCC(=O)c3ccc(Cl)cc3)CC2)cc(C(F)(F)F)n1 225733503 ZXDLMUQQWKSAHA-UHFFFAOYSA-N 440.853 3.769 0 40 IHAB C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)N(C(=O)c3cnccn3)[C@H]1CCCCC(=O)N2 257291646 QHYKHTLCAGSSHZ-WFXMLNOXSA-N 432.446 3.900 0 40 IHAB CN(C)c1ncc(-c2ccc3ccccc3c2)c([C@@H]2CCCN(C(=O)Cn3cccn3)C2)n1 257335431 YKCUVQDYHIDLRC-JOCHJYFZSA-N 440.551 3.966 0 40 IHAB O=C(CC[C@@H](O)c1ccc(F)cc1)N1CCC(c2cncc(Nc3ccccn3)n2)CC1 257336391 YOEWBCREKKAXCO-OAQYLSRUSA-N 435.503 3.974 0 40 IHAB CN([C@H](C(=O)Nc1ccc(Br)c(Cl)c1)c1ccccc1)S(C)(=O)=O 260800752 WJKIGJPNLBIUNO-HNNXBMFYSA-N 431.739 3.674 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H]3CC(C)(C)Oc4ccccc43)C2)cc1 260890384 CXNSAZOBSKLBPT-NQIIRXRSSA-N 442.581 3.814 0 40 IHAB COc1cccc(CN2CCC3(CC2)CN(C)C[C@@H](C(=O)Nc2cccc(Cl)c2)O3)c1 306139108 SPSVFGPMBVZJLI-QFIPXVFZSA-N 443.975 3.653 0 40 IHAB COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)CCC2=O)cc1 408653427 PUFYJKXWRLNDNW-LBPRGKRZSA-N 449.290 3.780 0 40 IHAB CCc1cccc(CC)c1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 408664592 QSSJRRQEQBBTNB-QGZVFWFLSA-N 428.916 4.000 0 40 IHAB CCC[C@]1(CCN2C(=O)[C@@H](C(N)=O)[C@H]3C[C@@]2(C)Oc2ccccc23)CCOC(C)(C)C1 524731085 JSBRXIVDTSTYFJ-PWZUTMABSA-N 428.573 3.978 0 40 IHAB biogenic CN1CCN(c2cccc(C(=O)NCc3cnc(-c4ccc(Cl)cc4)s3)n2)CC1 552781421 DGLHIUNJQJFIDL-UHFFFAOYSA-N 427.961 3.540 0 40 IHAB CCN(CC)c1ccc(C(=O)N2CCC[C@@H](Oc3ncc(Br)cn3)C2)cc1 575612291 LAJJDCWMOJNCBH-GOSISDBHSA-N 433.350 3.769 0 40 IHAB COc1cccc(N2C[C@H](C(=O)Nc3ccccc3-c3cn4c(n3)CCCC4)CC2=O)c1 575619373 JXZBBGHQPHPBBY-QGZVFWFLSA-N 430.508 3.887 0 40 IHAB CC(C)C(=O)N1CCCCCCCNCc2cc(C(=O)NCCN3CCCCC3)ccc21 643584306 ZINYQONEOUMFED-UHFFFAOYSA-N 442.648 3.945 0 40 IHAB Cc1cc2n(n1)[C@@H](C(F)(F)F)CCN2C(=O)c1cccc(NC(=O)CCn2ccnc2)c1 1531966331 OLSOSPCEYSHTSJ-QGZVFWFLSA-N 446.433 3.571 0 40 IHAB Cc1cc2cc3c(cc2n2c(SCC(=O)N4c5ccccc5C[C@@H]4C)nnc12)OCO3 877480 JCNJWAAWZBVSDE-AWEZNQCLSA-N 432.505 3.990 0 40 IHAB O=C(NCc1ccc(Cl)cc1)c1cccn(Cc2ccc3c(c2)OC(F)(F)O3)c1=O 1391169 NDTHEQABTKGHLN-UHFFFAOYSA-N 432.810 3.802 0 40 IHAB COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)c1ccc(OC)c(OC)c1 2359476 ONPYTULOIBDXEF-UHFFFAOYSA-N 433.258 3.987 0 40 IHAB CCOc1ccccc1NC(=O)CSc1nnc(-c2cccc(OC(C)C)c2)n1N 2415049 RUMRGSSZBACPPJ-UHFFFAOYSA-N 427.530 3.576 0 40 IHAB CCn1c2ccccc2c2cc(NC(=O)CN3C(=O)c4ccccc4S3(=O)=O)ccc21 2620922 NZGLSBMPXHXGJH-UHFFFAOYSA-N 433.489 3.598 0 40 IHAB O=C(COC(=O)c1cncc(Br)c1)Nc1ncc(C(F)(F)F)cc1Cl 3271817 SSQBXTIEWSVLCM-UHFFFAOYSA-N 438.587 3.707 0 40 IHAB C[C@H](Sc1nc2ccccc2c(=O)n1Cc1ccco1)C(=O)Nc1ccc2c(c1)OCO2 3372336 TVWVPXFLAPGFFL-AWEZNQCLSA-N 449.488 3.886 0 40 IHAB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2c(C(N)=O)oc3ccccc23)cc1 4177374 MTCOJWDNGNGTCT-UHFFFAOYSA-N 449.488 3.609 0 40 IHAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1 6088660 HMZQNIPFBZYONO-GOSISDBHSA-N 429.498 3.888 0 40 IHAB CC(C)Cc1nnc(NC(=O)[C@H]2CC(=O)N(CCc3c[nH]c4ccc(Cl)cc34)C2)s1 9199083 TVAVUCNEZBBZAT-AWEZNQCLSA-N 445.976 3.901 0 40 IHAB CCn1c(=O)c(C)nc2cc(C(=O)O[C@@H](C)C(=O)Nc3ncc(Cl)cc3Cl)ccc21 9244657 CPUUCXCARMIUCS-NSHDSACASA-N 449.294 3.611 0 40 IHAB COc1ccc(NS(=O)(=O)c2cc(NC(=O)COc3cccc(F)c3)ccc2C)cc1 9444360 ADWLVYGPYPLWJH-UHFFFAOYSA-N 444.484 3.961 0 40 IHAB CSc1ccccc1NC(=O)CN(C)C(=O)C1CCN(C(=O)Nc2ccccc2)CC1 9459871 NEALTRXUGBESPF-UHFFFAOYSA-N 440.569 3.750 0 40 IHAB Cc1ccc(-c2csc3ncn(CC(=O)Nc4ccc5c(c4)OCO5)c(=O)c23)s1 9537275 RZYZYMNPEDCUAC-UHFFFAOYSA-N 425.491 3.862 0 40 IHAB CN(C)S(=O)(=O)c1cc(NC(=O)CSc2ccc3ccccc3n2)ccc1Cl 9562491 PHCNLVBIKQDYIQ-UHFFFAOYSA-N 435.958 3.869 0 40 IHAB COc1ccc(S(=O)(=O)Nc2cc(-n3c(C)nc4ccccc4c3=O)ccc2F)cc1 10186577 OQXRNYJPSZDMBW-UHFFFAOYSA-N 439.468 3.643 0 40 IHAB CS(=O)(=O)c1ccc(CC(=O)N(Cc2ccccn2)c2nc3ccccc3s2)cc1 10252889 RVIPWAQTZLQNTH-UHFFFAOYSA-N 437.546 3.871 0 40 IHAB COc1ccc(OC)c(S(=O)(=O)NC[C@H](c2cccc3ccccc23)N2CCCC2)c1 10335678 HHNHJTKNMSBRRH-JOCHJYFZSA-N 440.565 3.972 0 40 IHAB COc1ccccc1Nc1nc(N)nc(COC(=O)c2cc3ccc(F)cc3nc2C)n1 10489148 LSQODHLGDRYMKK-UHFFFAOYSA-N 434.431 3.559 0 40 IHAB Cc1ccc([C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C2CC2)cc1 11234681 PKOMSLGHVLRZJT-QHCPKHFHSA-N 426.582 3.972 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccc(SC(F)F)cc3)CC2)cc1 11381068 XZNWEICCBPPZNV-UHFFFAOYSA-N 440.537 3.893 0 40 IHAB COc1ccc(C)cc1NC(=O)C[C@@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21 12233189 LKZHLEHNWXTOPI-MRXNPFEDSA-N 447.520 3.575 0 40 IHAB Cc1cccc2sc(NC(=O)CCn3cnc4c(cnn4-c4ccc(F)cc4)c3=O)nc12 12440235 XEXLKQQOMRVXGR-UHFFFAOYSA-N 448.483 3.668 0 40 IHAB CC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)cc1 12552181 MBVMDIJVWSXAAV-UHFFFAOYSA-N 438.461 3.671 0 40 IHAB C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2ccc(C(=O)Nc3ccccc3)cc2)C1=O 12568861 CLMHNRVXOJNOSZ-VWLOTQADSA-N 443.459 3.635 0 40 IHAB COc1ccc(CC(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c(OC)c1 12683270 HKEZHBJXZYBWHY-UHFFFAOYSA-N 440.521 3.710 0 40 IHAB O=C(NCc1cccc(Cl)c1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12780753 MKFLFUQBRNUGPU-UHFFFAOYSA-N 432.973 3.546 0 40 IHAB COC(=O)Cn1c(S[C@@H](C)C(=O)Nc2ccccc2C(C)C)nc2ccccc2c1=O 12821018 KNWIIPQMYGUJKP-HNNXBMFYSA-N 439.537 3.812 0 40 IHAB CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)[C@H]1CCCN1C(=O)c1cccs1 12950538 GLFSZXHAPCCXQW-GOSISDBHSA-N 428.554 3.723 0 40 IHAB Cc1cc(C)nc(SCC(=O)OCc2csc(CC(=O)Nc3ccccc3C)n2)n1 13063166 VSABXKOFHYYDRQ-UHFFFAOYSA-N 442.566 3.875 0 40 IHAB CCC(C)(C)n1nnnc1[C@@H](c1ccccc1F)N1CCN(c2ccccc2OC)CC1 13504180 SEMJUBHNGHBCNW-JOCHJYFZSA-N 438.551 3.878 0 40 IHAB O=S(=O)(NCc1ccccc1CN1CCOCC1)c1ccc(Cl)c(C(F)(F)F)c1 17333484 MTQPQRWLPDFOIE-UHFFFAOYSA-N 448.894 3.670 0 40 IHAB C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccc2c(c1)CCCC2 18212454 YNHFZHXGGRGLQK-QGZVFWFLSA-N 444.572 3.983 0 40 IHAB COc1cccc(CC(=O)N2CCC[C@@H](c3cc(N(C)C)nc(-c4cccnc4)n3)C2)c1 19584372 BUXVANSDZPPGRW-HXUWFJFHSA-N 431.540 3.562 0 40 IHAB Cc1nc([C@@H]2CCN(C(=O)c3ccccc3)C2)nc2c1CCC(=O)N2CCc1ccccc1 19738974 QVNVPXREULRJES-JOCHJYFZSA-N 440.547 3.937 0 40 IHAB Cc1nc(C2CCN(Cc3ccnn3C)CC2)nc2c1CCC(=O)N2CC1CCCCC1 19739279 PXDXQDSLRPHNPU-UHFFFAOYSA-N 436.604 3.758 0 40 IHAB Cc1onc(C(C)C)c1C(=O)N1CCC[C@H](c2cc(C(F)(F)F)c3c(N)n[nH]c3n2)C1 19742162 UYRVLGNHWVHMOB-NSHDSACASA-N 436.438 3.999 0 40 IHAB COc1cc(OC)cc(C(=O)NC(=S)Nc2cc(-c3ccc(CO)o3)ccc2C)c1 20153517 ZMNDVDMFILLCGK-UHFFFAOYSA-N 426.494 3.891 0 40 IHAB COc1cc(C(=O)N2CCC(C)CC2)c(N(Cc2ccccc2)S(C)(=O)=O)cc1OC 22253606 YZLDSMUFLZLBPD-UHFFFAOYSA-N 446.569 3.542 0 40 IHAB COc1ccc(CC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)c(OC)c1 22395575 VLUDJWGTQCNPAL-UHFFFAOYSA-N 446.569 3.758 0 40 IHAB CCc1nc2sc([C@@H](c3ccccc3Cl)N3CCC4(CC3)OCCO4)c(O)n2n1 22854038 KZNSGDAMQCHPPJ-MRXNPFEDSA-N 434.949 3.641 0 40 IHAB C[C@H](Nc1ccc(N2CCCC2=O)c(Cl)c1)C(=O)Nc1ccc(N2CCOCC2)cc1 24759411 OMKCEPZROCEANY-INIZCTEOSA-N 442.947 3.743 0 40 IHAB O=C(/C=C/c1cc(Cl)ccc1Cl)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 24980442 VPMREOGTRJJMLV-RMKNXTFCSA-N 439.364 3.681 0 40 IHAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NC[C@@H](c3cccs3)N(C)C)c2)cc1 25719977 KQPBNJAGQZODGY-FQEVSTJZSA-N 443.594 3.890 0 40 IHAB CCn1c(CSc2ncnc3ccsc23)nc2cc(S(=O)(=O)N(C)C)ccc21 26958726 VVCKMVQVMCMHHB-UHFFFAOYSA-N 433.584 3.604 0 40 IHAB CCOc1cccc(CNC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2C)c1 30854979 WBENPHWQPKPSQZ-UHFFFAOYSA-N 430.570 3.744 0 40 IHAB O=C(Cc1ccccc1)c1ccc(OC[C@@H](O)CN2CCN(c3ccccc3)CC2)cc1 31689527 AHQYJHKFXRDWLZ-VWLOTQADSA-N 430.548 3.674 0 40 IHAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)Nc1ccccc1OC(F)F 32808609 XFJXCZIKPHQTFV-UHFFFAOYSA-N 429.349 3.933 0 40 IHAB CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)CC1 32914394 HFOBILICPIEDKB-UHFFFAOYSA-N 427.476 3.771 0 40 IHAB Cn1c2ccc(Br)cc2c2nnc(SCC(=O)NCc3ccccc3)nc21 35312672 AKJOLCCPRYLWMW-UHFFFAOYSA-N 442.342 3.688 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](C)c3ccc(C)cc3C)C2)cc1 36092730 HTYWQCARPGHYAA-MOPGFXCFSA-N 430.570 3.590 0 40 IHAB O=C(c1ccccc1)c1c(O)nc2c(S(=O)(=O)O)ccc3c2c1-c1ccccc1C3=O 36370341 VSILCDZRMARUKX-UHFFFAOYSA-N 431.425 3.630 0 40 IHAB CCn1ncc(-c2noc3nc(C4CC4)cc(C(=O)Nc4nn(C)cc4Cl)c23)c1C 36619376 KCWONVRALKKBMA-UHFFFAOYSA-N 425.880 3.931 0 40 IHAB O=C(Nc1nc2ccccc2s1)c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1 36708460 JYGAFDIPPODFCC-LBPRGKRZSA-N 444.563 3.833 0 40 IHAB Cc1cc(N(CC(=O)N[C@H](C)c2ccc(F)cc2)S(C)(=O)=O)ccc1Br 44899956 LOCRSCHHTLFLFO-CYBMUJFWSA-N 443.338 3.540 0 40 IHAB COc1ccc([C@@H](CC(C)C)NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 44902862 RLYFNQNNJOYUTR-JOCHJYFZSA-N 432.586 3.982 0 40 IHAB O=C(NCc1ccccc1)C1CCN(C(=O)Cn2c(C(F)(F)F)nc3ccccc32)CC1 49592615 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C[C@@H](Cc1cccs1)C(=O)N1CCC([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)CC1 72395614 JVZWQASDXOIOPB-VBNZEHGJSA-N 427.496 3.745 0 40 IHAB COC(=O)N1CCc2ccc(Br)cc2[C@H]1C(=O)Nc1cccc(C(C)=O)c1 77200081 GVJBPOIJDHHMAS-SFHVURJKSA-N 431.286 3.956 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N[C@@H]1CCC[C@@H](OC(=O)Nc2ccc(F)cc2)C1 77200409 UONXDFATPMSJPD-QZTJIDSGSA-N 436.505 3.981 0 40 IHAB CC(C)(C)OC(=O)N1CC[C@]2(CCN(C(=O)c3cc(Br)ccc3O)C2)C1 95943413 PHWMCRHVSSYRAZ-IBGZPJMESA-N 425.323 3.628 0 40 IHAB O[C@H](CNc1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c12)c1ccco1 95949196 URZRNMFQQSJAAI-GOSISDBHSA-N 436.537 3.929 0 40 IHAB CCNc1ccc(S(=O)(=O)C(F)F)cc1NC(=O)c1cc(Cl)c2c(c1)OCO2 95966832 LIXSFMOBQQUKGZ-UHFFFAOYSA-N 432.832 3.749 0 40 IHAB Cc1nnsc1C(=O)NC[C@H]1CC[C@H](c2c(C(=O)N(C)C)sc3ncccc32)CC1 100688423 JIOILJXYESHCRE-OKILXGFUSA-N 443.598 3.862 0 40 IHAB CCc1ccc(NC(=O)c2cnn3c2NC(C(=O)O)=C[C@@H]3c2cc(OC)ccc2OC)cc1 102820748 HDTFKHIUZHZVDT-HXUWFJFHSA-N 448.479 3.698 0 40 IHAB COc1ccc(NC(=O)CCCN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1OC 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IHAB Cc1ccsc1CN1C[C@H](c2cccnc2)[C@]2(C1)OCCN(Cc1ccsc1)C2=O 306128625 HGHWWYJQVDDHLF-OFNKIYASSA-N 439.606 3.910 0 40 IHAB CCn1c(SCC(=O)NC2CCCCC2)nnc1[C@H](NC(=O)c1ccccc1)C(C)C 409163472 RYVPGVHHOAOKML-HXUWFJFHSA-N 443.617 3.966 0 40 IHAB COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)NCC1(c2ccc(F)cc2)CC1 500074765 NARRJXBLHOVICS-IBGZPJMESA-N 430.907 3.940 0 40 IHAB O=C1CO[C@@]2(CCCN(C(=O)c3cc4ccc(F)cc4[nH]3)CC2)CN1Cc1ccccc1 585261814 QLYVVSZLHKTQRW-RUZDIDTESA-N 435.499 3.731 0 40 IHAB O=C(CN1CCC(O)(COc2ccc(Cl)c(Cl)c2)CC1)NCc1cccc(F)c1 585271745 CDSDOHLFHCRQNC-UHFFFAOYSA-N 441.330 3.655 0 40 IHAB Cc1ccccc1[C@H](NC(=O)Cn1cc(Br)c(O)nc1=O)C1CCC(C)CC1 602842759 WKHYALCBWJLYSZ-TYJKZOGGSA-N 448.361 3.704 0 40 IHAB Cc1c(C(=O)N2CCN(C(=O)Cc3cccc(Cl)c3)[C@@H](C)C2)nc(O)c2ccccc12 1587041705 IYICSJIAZQETAM-HNNXBMFYSA-N 437.927 3.818 0 40 IHAB Cc1cc(-c2cnn(C)c2)cc([C@H]2CN(C(=O)Cc3c(C)[nH]c4ccc(F)cc34)CCO2)n1 2037769643 FKIBHVYUMQABGZ-XMMPIXPASA-N 447.514 3.862 0 40 IHAB COc1cc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(C)cc2)cc(OC)c1 790159 DBAAYTISRSIYSZ-UHFFFAOYSA-N 435.509 3.872 0 40 IHAB COc1ccccc1N1CCN(C(=O)CSc2nnc(-c3cc(C)cc(C)c3)o2)CC1 1328667 SAVHRJZMPLBJDG-UHFFFAOYSA-N 438.553 3.803 0 40 IHAB CCCc1nc2sc3c(N(C[C@@H](C)O)C[C@@H](C)O)nc(SC)nc3c2c2c1CCC2 2427477 OHPDWQQYQUBNCS-CHWSQXEVSA-N 446.642 3.971 0 40 IHAB CC(C)(C)c1cc(CCC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc(C(C)(C)C)c1O 3429459 JQABAGJCMIUDIE-UHFFFAOYSA-N 446.613 3.884 0 40 IHAB C[C@H]1CCC[C@@H](C)N1C(=O)Cn1c(SCC(=O)NC2CCCC2)nc2ccccc21 4859205 AHWFJADGTHDGHA-CALCHBBNSA-N 428.602 3.977 0 40 IHAB Cc1nc2cc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)ccc2n1-c1ccccc1 6147791 SWJLEYLZMPRBBI-UHFFFAOYSA-N 434.521 3.837 0 40 IHAB COc1ccc([C@H]2CCCCCN2CC(=O)Nc2ccccc2SCC(N)=O)cc1 8157239 FFQFUKNRWHETJD-HXUWFJFHSA-N 427.570 3.828 0 40 IHAB C[C@@H](Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)C(=O)N1CCc2ccccc21 8901476 MWLSPXSVVXFGLY-AEFFLSMTSA-N 435.549 3.645 0 40 IHAB CCc1ccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(Cc3ccccc3C)c(=O)n2C)cc1 9088979 UHTARVPODHZFJV-QGZVFWFLSA-N 443.551 3.604 0 40 IHAB O=S(=O)(Nc1ccc2c(c1)nc1n2CCN(CCc2ccccc2)C1)c1ccccc1 9187276 YDBFJEJKHQZBHV-UHFFFAOYSA-N 432.549 3.895 0 40 IHAB CC(=O)N1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccco3)=NN12 9427618 ZNHSVJLISJJARY-KRWDZBQOSA-N 430.302 3.924 0 40 IHAB O=C(NC(=S)Nc1ccc(I)cn1)c1cccc2ccccc12 9428628 RGJKZVXOXOHPQU-UHFFFAOYSA-N 433.274 3.966 0 40 IHAB C[C@]12CCC(=O)N1[C@@H](C(=O)OCC(=O)N1c3ccccc3Sc3ccccc31)CS2 9587973 XSDHSSHPFFKYRW-ZHRRBRCNSA-N 440.546 3.813 0 40 IHAB COc1ccc(NC(=O)c2cc(C)nc3ccccc23)cc1S(=O)(=O)N1CCCCC1 9812335 VQOVOJHTVXAADH-UHFFFAOYSA-N 439.537 3.979 0 40 IHAB O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 9819578 XGCDIODFHGHXHI-UHFFFAOYSA-N 441.553 3.630 0 40 IHAB O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)N1CCC(Cc2ccccc2)CC1 9872249 UGYARNPWOHRMQW-UHFFFAOYSA-N 429.446 3.840 0 40 IHAB COc1cc(NC(=O)CCc2csc(NC(=O)c3ccco3)n2)cc(OC)c1OC 11835009 NSYIXWCUKLNXBW-UHFFFAOYSA-N 431.470 3.586 0 40 IHAB O=C(CN1N=C(c2ccccc2)Cn2c(cc3sccc32)C1=O)NCCc1ccccc1 12113602 LFEPWQRPSLDHKY-UHFFFAOYSA-N 442.544 3.922 0 40 IHAB C[C@@]1(c2ccccc2)C[C@H](Nc2ccc(I)cc2C(=O)O)C(=O)O1 12402140 BUPYJCMKAHHTOT-YJBOKZPZSA-N 437.233 3.632 0 40 IHAB biogenic,in-vitro O=C(Cn1nnc(COc2ccccc2)n1)N1CCCC[C@@H]1c1nc2ccccc2s1 12688693 CGAJKGCMKQVFJN-GOSISDBHSA-N 434.525 3.616 0 40 IHAB Cn1c(C[C@H]2CCS(=O)(=O)C2)nnc1Sc1cc(C(F)(F)F)nc2ccccc12 12740968 NECHETUEZRZIIN-LLVKDONJSA-N 442.488 3.511 0 40 IHAB COc1ccc(-c2csc3ncn(C[C@H](O)COc4ccc(F)cc4)c(=O)c23)cc1 12771085 JUIHGOMJWAEVBI-INIZCTEOSA-N 426.469 3.713 0 40 IHAB CCOC(=O)C1=C(CSc2nc(-c3cccs3)nc3ccccc23)NC(=O)N[C@H]1C 12773885 NHHIGVBJNNJZFL-LBPRGKRZSA-N 440.550 3.969 0 40 IHAB COc1ccc([C@H](CNC(=O)c2ccc(OC)c(OC)c2OC)N2CCCCC2)cc1 12783083 VJSIXQKDACETLN-FQEVSTJZSA-N 428.529 3.678 0 40 IHAB COc1ccc(NC(C)=O)cc1S(=O)(=O)N1CCC[C@@H]1c1nc2ccccc2s1 12877488 ZFOVXFNSELQDIG-MRXNPFEDSA-N 431.539 3.789 0 40 IHAB COc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@@H](O)c3ccc(Br)cc3)CC1)O2 13998256 NZSQSJHSOGLQLC-VQTJNVASSA-N 448.357 3.842 0 40 IHAB O=C(c1sc2ccccc2c1Cl)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 14197073 JXWNIGLIABKZEG-UHFFFAOYSA-N 434.970 3.843 0 40 IHAB Cc1nc(CN2CCN(C(=O)c3cn(-c4ccccc4)nc3-c3cccnc3)CC2)cs1 14380963 GILIMVQSPDEZSX-UHFFFAOYSA-N 444.564 3.657 0 40 IHAB Cc1cc(N2CCN(CC(=O)Nc3ccc(Br)cc3C)CC2)nc(C(C)C)n1 15032853 USTILDAYMDHSCY-UHFFFAOYSA-N 446.393 3.740 0 40 IHAB CCCc1cc(=O)[nH]c(SCC(=O)Nc2sc3c(c2C(=O)OCC)CC[C@H](C)C3)n1 15879790 BDKQRBBFNHWTLW-LBPRGKRZSA-N 449.598 3.816 0 40 IHAB Cc1ccc(NC(=O)Cn2nc3ccc(SC4CCCCC4)nn3c2=O)c(Cl)c1 16843639 CBXIUTUGCKZFOM-UHFFFAOYSA-N 431.949 3.916 0 40 IHAB CCC(=O)N1CCN(c2ccc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2)CC1 17095336 NJJQOFHYTVSGSZ-UHFFFAOYSA-N 427.373 3.693 0 40 IHAB CCCc1cc(=O)oc2cc(OC(=O)c3sc4nc5n(c(=O)c4c3C)CCC5)ccc12 17642599 UCJHYXPXBSHADV-UHFFFAOYSA-N 436.489 3.991 0 40 IHAB CNC(=O)c1[nH]c(C2CCN(C(=O)[C@@H](C)c3ccccc3)CC2)nc1-c1ccc(OC)cc1 19698870 AOHSWAXRQDAWGD-KRWDZBQOSA-N 446.551 3.955 0 40 IHAB CCN(CC)CC(=O)N(CC)[C@@H]1CCO[C@H](c2ccc(C(=O)Nc3nccs3)cc2)C1 19712715 IARSREKQXUQYSR-UXHICEINSA-N 444.601 3.806 0 40 IHAB CCN(CC(=O)N[C@@H](C)c1ccc(OC)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 20014693 MRFNFDAYYZLDQI-ZDUSSCGKSA-N 445.368 3.890 0 40 IHAB COc1ccccc1/C=C/S(=O)(=O)NCCNc1ncc(C(F)(F)F)cc1Cl 20405722 OBYNLURSRPYWME-RMKNXTFCSA-N 435.855 3.765 0 40 IHAB CCc1ccccc1N(CC(=O)NCCCc1cccc(OC(C)C)c1)S(C)(=O)=O 22329828 CQYLNNBOQPEDTJ-UHFFFAOYSA-N 432.586 3.551 0 40 IHAB CCCc1ccc(S(=O)(=O)N2CCN(Cc3nc(-c4ccco4)cs3)CC2)cc1 22605849 QWSFZGOIHHAOJR-UHFFFAOYSA-N 431.583 3.862 0 40 IHAB CC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 24601185 WLRUXPAZAFOVOL-UHFFFAOYSA-N 427.353 3.703 0 40 IHAB O=c1/c(=C/c2ccc(Cl)cc2Cl)sc2nc([C@H]3COc4ccccc4O3)nn12 27020990 WOZSQGRZIWVSBQ-FLLLGSRRSA-N 432.288 3.518 0 40 IHAB CC[C@H](Oc1ccccc1F)C(=O)N(Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 28228500 BNWWNXUQMRBMQY-LPHOPBHVSA-N 439.936 3.852 0 40 IHAB COc1ccc(C[C@@H](NC(=O)c2cc3c([nH]c2=O)CCCC3=O)c2ccc(OC)cc2)cc1 29975369 BZCBTHTZKNKOTG-HSZRJFAPSA-N 446.503 3.625 0 40 IHAB CN(C)Cc1ccc(-c2ccccc2CNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1 31275956 POUTWMFWFIGIDF-QFIPXVFZSA-N 431.536 3.673 0 40 IHAB CC(=O)c1cccc(N2C(SCc3cccc(Cl)c3)=N[C@H]3CS(=O)(=O)C[C@H]32)c1 32640975 ORAWHSRMVDWCLM-RBUKOAKNSA-N 434.970 3.818 0 40 IHAB C[C@@H](Oc1ccc(F)cc1Br)C(=O)N1CCC(c2nnc3ccccn23)CC1 33228602 ONHDLVLFJDGAGQ-CYBMUJFWSA-N 447.308 3.804 0 40 IHAB COc1cccc(-n2c(SCC(=O)Nc3cccc(O)c3)nnc2-c2cccnc2)c1 35289142 YLNVKNOWUNAJJX-UHFFFAOYSA-N 433.493 3.774 0 40 IHAB CC[C@@H](Sc1nnc(-c2cccnc2)n1-c1ccccc1)C(=O)Nc1nnc(C)s1 35655230 RYHHYTRZSQETOJ-MRXNPFEDSA-N 437.554 3.999 0 40 IHAB Cc1cccc(-c2nnc(S)n2CCC(=O)NC2CCN(Cc3ccccc3)CC2)c1 36389640 LVRKTELGGFKQHW-UHFFFAOYSA-N 435.597 3.713 0 40 IHAB COc1ccccc1OS(=O)(=O)c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1 36396080 VUUUVHJDDBSFRE-UHFFFAOYSA-N 434.491 3.539 0 40 IHAB CC(C)[C@@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)NCc1ccncc1 36580028 FTXPQSAXUOQNQT-HXUWFJFHSA-N 433.537 3.553 0 40 IHAB O=C1C[C@@H](c2ccccc2O)Cc2c1cnc1nc(NCCc3ccccc3)[nH]c(=O)c21 38829476 RXKWOVKOMPCEIV-INIZCTEOSA-N 426.476 3.591 0 40 IHAB C[C@H](Oc1ccc(C(=O)NCCN2CCN(c3ccccc3)CC2)cn1)c1ccccc1 40153948 SUGUZSPWCONUQF-NRFANRHFSA-N 430.552 3.774 0 40 IHAB COc1ccc(-c2ccc(=O)n(CC(=O)c3ccc(Br)cc3)n2)cc1OC 40287959 PDNHDUMHPUFJBQ-UHFFFAOYSA-N 429.270 3.573 0 40 IHAB COc1ccc([C@@H](NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)c2ccccc2)cc1 45824034 LHFKGOUJNYANPF-SQOUVECCSA-N 439.581 3.627 0 40 IHAB Cc1ccnc(NC(=O)C2CCN(Cn3c(-c4ccc(F)cc4)csc3=O)CC2)c1 58131956 AZVUJJZAMLJATL-UHFFFAOYSA-N 426.517 3.728 0 40 IHAB CN(C)CCNC(=O)c1cccc(CNC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c1 58314167 LLGRCJZADWNYNS-UHFFFAOYSA-N 428.536 3.871 0 40 IHAB COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)Nc3cccc(C)c3)Oc3ccccc32)cc1 64986228 WPQJDTZMXNSULV-QFIPXVFZSA-N 438.505 3.599 0 40 IHAB CCC(CC)C(=O)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccccc2F)cc1 67896498 VNGSDIIMIOECFV-FYYLOGMGSA-N 428.504 3.661 0 40 IHAB biogenic,in-vitro C[C@@H](NC(=O)CNC(=O)CN(CCc1ccccc1)c1ccc(O)cc1)c1ccc(F)cc1 72308367 CTRZONQIQTUTDI-LJQANCHMSA-N 449.526 3.574 0 40 IHAB COc1ccc(OC)c(CNC(=O)[C@H]2C[C@H]3CC[C@]2(C)C[C@]32NC(=O)c3ccccc3N2)c1 72326974 UDKKICFLKGKQIQ-QVNMXXJYSA-N 449.551 3.698 0 40 IHAB COc1ccccc1CNC(=O)c1cnc([C@H]2CCCN2C(=O)C2CCCCC2)nc1C 72345382 FDCQWHPSGDEJME-OAQYLSRUSA-N 436.556 3.967 0 40 IHAB Cc1nc(C)c(C(=O)N2CC[C@@H](c3c(C(=O)N4CCOCC4)sc4ccccc34)C2)o1 72352485 IFMHHXUBUKABRM-MRXNPFEDSA-N 439.537 3.608 0 40 IHAB C[C@@H]1CCN(Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)c2cc(Cl)ccc2S1 79019938 QJETUKQJQPELJO-CYBMUJFWSA-N 449.989 3.610 0 40 IHAB C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCCC(=O)Nc1cc(Cl)ccc1O 84674077 JFCAPXWCKGSFSK-QFIPXVFZSA-N 427.888 3.763 0 40 IHAB COC(=O)[C@@H]1Oc2cc(C)oc(=O)c2[C@@H]1c1ccc(OCc2ccccc2F)c(OC)c1 85413715 ZXSALKBICOOSPM-RBBKRZOGSA-N 440.423 3.741 0 40 IHAB Cc1nn(-c2cc(SCc3cc(=O)n4cc(Cl)ccc4n3)ncn2)c2c1CCCC2 90610263 BIEVDLZFSYBHPC-UHFFFAOYSA-N 438.944 3.803 0 40 IHAB CCOc1ccccc1S(=O)(=O)Nc1ccccc1Cc1nc(-c2ccncc2)no1 96119651 MFDORCXMHFOBCT-UHFFFAOYSA-N 436.493 3.922 0 40 IHAB O=C1[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1nn(Cc2ccc(Cl)c(Cl)c2)cc1Cl 102014378 OPOGABGVJOVEIW-AJNGGQMLSA-N 426.687 3.558 0 40 IHAB COc1ccc(-c2c(C)s/c(=N\C(=O)c3cc(OC)c(OC)c(OC)c3)n2C)cc1 107981722 GEVZTEQNYGNRAC-FCQUAONHSA-N 428.510 3.838 0 40 IHAB CN(C)C1CCN(C(C)(C)CN[C@@H]2CCC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 108149022 LUARBAQIHHIECJ-VSKRKVRLSA-N 436.685 3.949 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 108914441 BDPRFUKBHXABTC-LXZJYRNTSA-N 434.602 3.814 0 40 IHAB CC[C@@H](C(=O)N[C@H](CC)c1ccc(OC)c(OC)c1)N(c1ccc(C)cc1)S(C)(=O)=O 219104152 XWDLDMMHGSOSJO-UXHICEINSA-N 448.585 3.824 0 40 IHAB CC1(C)C[C@@H](NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 219755973 AWQPQNQOXYYIAF-RTBURBONSA-N 448.972 3.912 0 40 IHAB Cc1ccc(C(=O)NCCSCc2cccc(Cl)c2)cc1N(C)S(C)(=O)=O 222449571 NBURNOSQPDAWGT-UHFFFAOYSA-N 426.991 3.707 0 40 IHAB CCOc1ccc(CCC(=O)N(Cc2ccc(OC)cc2)[C@@H](C)C(=O)NC)cc1OCC 222863714 LAPFOWFPEBDJLZ-SFHVURJKSA-N 442.556 3.589 0 40 IHAB O=S(=O)(NCCSc1nc(-c2ccccc2)n[nH]1)c1cc(Cl)ccc1Cl 222991187 MFQDKXLWBHMCRV-UHFFFAOYSA-N 429.354 3.849 0 40 IHAB C[C@H]1Cc2cc(Br)cc3c(=O)c(C(=O)Nc4ccc5c(c4)OCCO5)cn1c23 223106111 IBEMJSDOQJVGEA-NSHDSACASA-N 441.281 3.905 0 40 IHAB CN(C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(N(C)C)cc1 223235672 PAKKEZXUFGMHDG-ZEQRLZLVSA-N 448.640 3.863 0 40 IHAB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)Nc2ccc(OC(C)C)cc2)s1 224114628 JSPYWIPNJINPHW-UHFFFAOYSA-N 432.527 3.687 0 40 IHAB COc1cccc(NS(=O)(=O)c2ccc(NC(=O)COc3cccc(C)c3)cc2)c1 224569547 DHIRQVMIVSCEKF-UHFFFAOYSA-N 426.494 3.822 0 40 IHAB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc[nH]2)cc1Cl 225233641 TWJHKKFYXAUANK-VQTJNVASSA-N 441.944 3.825 0 40 IHAB COC(=O)c1cc(S(=O)(=O)N[C@@H]2CC(C)(C)Oc3ccc(OC)cc32)ccc1Cl 225810527 LNTPEACMNIPYHL-QGZVFWFLSA-N 439.917 3.716 0 40 IHAB O=C1CC2(CCN(C(=O)c3cnc(O[C@H]4CCOC4)c(Cl)c3)CC2)Oc2ccccc21 244970215 HOHPZOXDUYAXOE-INIZCTEOSA-N 442.899 3.543 0 40 IHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N1CCC(c2cncc(Nc3cnccn3)n2)CC1 257234201 GSOBZNUQDDVROF-OAQYLSRUSA-N 448.527 3.582 0 40 IHAB CCN(Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)cc1)S(=O)(=O)c1ccc(OC)cc1 260561602 LCUZMBJIMPRPGX-LEDOBFOHSA-N 442.581 3.824 0 40 IHAB COc1ccc(C)cc1N[C]1NC(=O)/C(=C/c2ccc(I)o2)S1 408819892 YWEMYKGKFMPFEZ-UHFFFAOYSA-N 441.270 3.964 0 40 IHAB CC(C)c1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(F)cc3)[C@H]2c2ccccc2)cc1 409058817 LJMYQGFEORIDKY-OCZZZQCFSA-O 430.503 3.965 0 40 IHAB O=C(CNS(=O)(=O)c1ccc(Br)cc1)Nc1ccc(Cl)c(Cl)c1 409137845 ZCHMDUHPYSTACF-UHFFFAOYSA-N 438.130 3.673 0 40 IHAB Cc1ccc2c(c1)Cc1cccc(c1)CN(C(=O)CCn1ccnc1C)CCOCCO2 643572915 OXLFKTWPDPDNRV-UHFFFAOYSA-N 433.552 3.919 0 40 IHAB Cc1nc(SCC(C)C)sc1CC(=O)Nc1ccc([C@H]2CC(=O)NC(=O)N2)cc1 1585502556 DXKRVGRLQAWBPY-OAHLLOKOSA-N 432.571 3.651 0 40 IHAB COc1cc(NC(=O)N2CC[C@H]3CN(c4cc(C(F)(F)F)ccn4)C[C@H]32)cc(OC)c1 1889201643 ZGKXDZAQTPXMFB-SCLBCKFNSA-N 436.434 3.860 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)N(C)Cc2ccccc2)c2ccccc2F)cc1 857930 HOGQZOXVFFGVTE-UHFFFAOYSA-N 426.513 3.988 0 40 IHAB Cc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)c1C 1289552 IYOUKSLEGLTNMR-OAHLLOKOSA-N 445.313 3.601 0 40 IHAB CCOc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@@H]1c1cccc(OC)c1OC 1297246 CXPLOZFSAUNNHM-LJQANCHMSA-N 427.526 3.534 0 40 IHAB CC(C)(C)[C@H]1CCc2c(sc3nnn(CC(=O)N4CCCc5ccccc54)c(=O)c23)C1 1331870 QWIUVLUOYBRLFF-INIZCTEOSA-N 436.581 3.983 0 40 IHAB O=C(Nc1ccc(N2CCCC2)c(C(F)(F)F)c1)NS(=O)(=O)c1ccc(F)cc1 1410388 TVVWHYOUQQYKRB-UHFFFAOYSA-N 431.411 3.955 0 40 IHAB COC(=O)CSc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)CCC[C@@H]4C 2296270 CJIWPWJAFVMYAN-LBPRGKRZSA-N 440.550 3.800 0 40 IHAB COc1ccc(N(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)S(=O)(=O)c2ccc(C)cc2)cc1 2846262 UKBBZJKUTHAHCL-NJNPRVFISA-N 428.554 3.504 0 40 IHAB CCOC(=O)c1c(N)n(CCCOC(=O)c2ccccc2C)c2nc3ccccc3nc12 3311063 YYRRVGXCFVRWIY-UHFFFAOYSA-N 432.480 3.899 0 40 IHAB O=c1cc(CSc2nnc(-c3cccnc3)n2-c2ccccc2F)nc2sccn12 3370934 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CCc1ccccc1NC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)CC1 9667481 GZVIVYGOBRCIFM-OAQYLSRUSA-N 433.552 3.788 0 40 IHAB CN(c1ccc(C(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)cc1)S(C)(=O)=O 9723880 GBDZYRHGIAVQRD-UHFFFAOYSA-N 442.566 3.516 0 40 IHAB Cc1nnc(SCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)n1-c1ccccc1 9847536 BXLWRWQWKOWXQP-LJQANCHMSA-N 436.537 3.803 0 40 IHAB Cc1ccc([C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C2CC2)cc1 11234685 PKOMSLGHVLRZJT-HSZRJFAPSA-N 426.582 3.972 0 40 IHAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccc(F)cc1Br 11679195 XQPXGHQYGJCCAS-IBGZPJMESA-N 433.277 3.860 0 40 IHAB COC(=O)c1ccc(NC(=O)CSc2ccccc2C(=O)OCC(=O)C(C)(C)C)cc1 11705936 RCCURRWWWZIBBB-UHFFFAOYSA-N 443.521 3.976 0 40 IHAB CCOc1ccc(-c2n[nH]c(=S)n2CC(=O)NCCCc2nc3ccccc3[nH]2)cc1 11759179 LCYHXUDUIARQDX-UHFFFAOYSA-N 436.541 3.632 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3N3CCCC3)CC2)cc1C 12522320 GZAUYVYDCZSBTF-UHFFFAOYSA-N 441.597 3.943 0 40 IHAB Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 12560459 WIRCMVOONFFBJO-UHFFFAOYSA-N 425.388 3.699 0 40 IHAB CC[C@@H]1CCc2sc(C(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)cc2C1 12675374 NHCGOPDQALUXIP-OAHLLOKOSA-N 434.583 3.536 0 40 IHAB Cc1cc(Br)ccc1NC(=O)CNC(=O)c1cc2cnn(C(C)C)c2nc1C 12788533 LANVABHOUMWOHK-UHFFFAOYSA-N 444.333 3.760 0 40 IHAB COc1cccc(CN(C)C(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1OC 12792259 UMCQVEAOLGBIPO-FQEVSTJZSA-N 440.540 3.661 0 40 IHAB COc1cc(OC)c(N2C[C@H](C(=O)OCc3cc(F)ccc3OC)CC2=O)cc1Cl 12817724 IBZDEFLZVFGBPG-GFCCVEGCSA-N 437.851 3.601 0 40 IHAB CC(C)NC(=O)c1ccc2c(c1)N(CC(=O)Nc1cccc(Cl)c1)C(=O)C(C)(C)O2 12875809 HKADQBSJORSXNV-UHFFFAOYSA-N 429.904 3.621 0 40 IHAB COc1cc(C(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)ccc1OC(C)C 12928461 DNWLPHDNEWBVHJ-UHFFFAOYSA-N 442.541 3.552 0 40 IHAB NC(=O)Cn1c(-c2cccs2)nn(CN2CCC(CCc3ccccc3)CC2)c1=S 12944590 DWBHUNKBCKPVKV-UHFFFAOYSA-N 441.626 3.930 0 40 IHAB COc1ccccc1NC(=O)c1ccc(NC(=O)c2ccc(CS(C)(=O)=O)cc2)cc1 13100651 HQGKOLHLPAREOR-UHFFFAOYSA-N 438.505 3.744 0 40 IHAB CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 13164087 MGEGTAQEJLABPT-HNNXBMFYSA-N 447.582 3.549 0 40 IHAB O=C1/C(=C/Nc2ccc(N3CCOCC3)cc2)c2ccccc2C(=O)N1c1ccccn1 13299117 TYPLGEZPNSQQBU-OQKWZONESA-N 426.476 3.558 0 40 IHAB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(C(=O)O)cc4)[C@H]3C2=O)cc1 13803704 OQASDXQACGOCDP-FSSWDIPSSA-N 428.444 3.744 0 40 IHAB CC(C)CCn1c(SCC(=O)N2CCCC2=O)nc2sc3c(c2c1=O)CCCC3 13987760 UEEJNKWBOVQHSB-UHFFFAOYSA-N 433.599 3.624 0 40 IHAB COc1ccc(CN2C(=O)[C@@](O)(CC(=O)Cc3ccccc3)c3ccccc32)cc1OC 15946964 KUDKCMXABDXPCJ-AREMUKBSSA-N 431.488 3.640 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1NS(=O)(=O)c1ccc(C)cc1 16310470 KKBJNLSCEMVYGV-UHFFFAOYSA-N 446.550 3.914 0 40 IHAB O=C([C@H]1COc2ccccc2C1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 16962591 BAQLCAZONLRNTH-CQSZACIVSA-N 425.838 3.654 0 40 IHAB CNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCN(C(=O)Cc2cccc(C)c2)C1 19234599 BEICMGWMRACJFC-MHZLTWQESA-N 427.548 3.807 0 40 IHAB Cc1ncc(CNC(=O)c2cc(C(F)(F)F)n(C)n2)c(-c2cn(C)c3ccccc23)n1 19287162 XPYIJKVSVRTTCL-UHFFFAOYSA-N 428.418 3.626 0 40 IHAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC[C@H](c2nnc(-c3ccccn3)o2)C1 19403311 NUQSLBHUMFBCFE-ZDUSSCGKSA-N 438.431 3.719 0 40 IHAB CCNC(=O)[C@]1(Cc2ccc(-c3ccccc3OC)cc2)CCN(C(=O)c2ccccn2)C1 19529047 HRLRLDMGDHVCQJ-MHZLTWQESA-N 443.547 3.968 0 40 IHAB COCc1ccc(C(=O)N2CC[C@H](c3nc(N(C)C)ncc3-c3ccc(OC)cc3)C2)cc1 19695019 TZIKKLUANUYNSU-NRFANRHFSA-N 446.551 3.994 0 40 IHAB Cc1cc(NC(=O)CN2CCC([C@]3(C)CCCCN(Cc4ccccc4)C3=O)CC2)no1 19743997 YQVUXKWQOLREBV-VWLOTQADSA-N 438.572 3.853 0 40 IHAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)N(C)Cc3ccc(Cl)cc3)CC2)cc1 20460715 HVBPQWYXEBIKKM-UHFFFAOYSA-N 434.989 3.849 0 40 IHAB Cc1cc(C(=O)CCC(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)c(C)s1 22228327 MMCYYSIPUWLELV-UHFFFAOYSA-N 444.582 3.784 0 40 IHAB CCc1nc2sc([C@@H](c3cccc(Cl)c3)N3CCC(C(=O)OC)CC3)c(O)n2n1 22853594 YHBAIIAKINOEQR-MRXNPFEDSA-N 434.949 3.687 0 40 IHAB Cc1nc2sc([C@@H](c3ccc(Br)cc3)N3C[C@@H](C)O[C@H](C)C3)c(O)n2n1 23157042 KBVFGQXDEVQCEJ-UEKVPHQBSA-N 437.363 3.766 0 40 IHAB CN(C(=O)CSc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CCC3)C1=CCCC1 24865676 YFGYZDDERMWYDP-HNNXBMFYSA-N 445.610 3.744 0 40 IHAB C[C@@H](Sc1nnc(-c2cccs2)n1Cc1ccccc1)c1nc(N)nc(N(C)C)n1 24883924 UXKWETDEDLNSGD-CYBMUJFWSA-N 438.586 3.741 0 40 IHAB CCOc1c(Br)cc(/C=c2/sc3nc4ccccc4n3c2=O)cc1OC 27489584 CETZMSXWAPOKJA-MHWRWJLKSA-N 431.311 3.627 0 40 IHAB COc1ccc([C@H](NC(=O)c2nn(-c3ccccc3)c3c2CCC3)c2nccn2C)cc1 29133549 YIMFDBQDXPEHDF-QFIPXVFZSA-N 427.508 3.623 0 40 IHAB COc1ccc(OCC(=O)NC(=S)Nc2nc(-c3ccc(OC)cc3)cs2)cc1 33608198 BKVMMRFXWWANJB-UHFFFAOYSA-N 429.523 3.719 0 40 IHAB Cc1sc(NC(=O)CN(Cc2ccccc2)C(=O)NC2CCCCC2)c(C(N)=O)c1C 35312682 JXUFDWJWSDIUMY-UHFFFAOYSA-N 442.585 3.947 0 40 IHAB CN1CCN(c2nc3ccc(NS(=O)(=O)c4ccc(Cl)s4)cc3s2)CC1 35596718 UFVLARSAKXYSIC-UHFFFAOYSA-N 428.992 3.564 0 40 IHAB COc1ccc(Cc2nnc(NC(=O)CCCn3sc4ccccc4c3=O)s2)cc1 36353898 HFIJJPPMURCAQU-UHFFFAOYSA-N 440.550 3.933 0 40 IHAB O=C(c1ccc2nsnc2c1)N1CCN(Cc2nc(-c3ccc(F)cc3)cs2)CC1 36704701 KKHSCGWGFKDSAR-UHFFFAOYSA-N 439.541 3.912 0 40 IHAB O=C(NCCc1ccccc1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 45715864 ZKLJULGYOOKYQW-HXUWFJFHSA-N 427.504 3.651 0 40 IHAB COc1ccc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)c(C)c2)c(OC)c1 57315808 NFIQFFHCJDTSSS-UHFFFAOYSA-N 426.494 3.891 0 40 IHAB COc1ccc(C(=O)NC(=S)NCc2ccc(-c3nc4ncccc4o3)cc2)cc1OC 57327705 BLGAACSZTYZYLW-UHFFFAOYSA-N 448.504 3.712 0 40 IHAB Cc1ccc(NC(=O)Cn2c(=O)n(Cc3ccc(C)c(C)c3)c(=O)c3sccc32)cc1 57426926 UMQOITUTCSUPER-UHFFFAOYSA-N 433.533 3.837 0 40 IHAB CC[C@H]1CCCCN1C(=O)CSc1nnc(CN2CCCC2)n1Cc1ccccc1 57530251 UXERPRVYRCZTEM-FQEVSTJZSA-N 427.618 3.805 0 40 IHAB C[C@@H](NC(=O)CS(=O)(=O)Cc1cccc(Br)c1)c1ccc(F)c(F)c1 58157525 KSSFCOAELBPWSV-LLVKDONJSA-N 432.286 3.520 0 40 IHAB C[C@H](Oc1ccc(F)cc1Br)C(=O)Nc1cccc(N2C(=O)NC[C@@H]2C)c1 58357198 CJPRDKCNJWHISJ-RYUDHWBXSA-N 436.281 3.912 0 40 IHAB COC(=O)c1cc(OCC(=O)Nc2ccc(Cl)cc2F)c2cc(OC)c(OC)cc2n1 65033476 PSXWVVOQDAUWTI-UHFFFAOYSA-N 448.834 3.849 0 40 IHAB CCCCn1c(SCC(=O)Nc2ccc(C(=O)OCC)cc2)nc2cc(C)[nH]c2c1=O 67238318 LOBYZACEWPFJNX-UHFFFAOYSA-N 442.541 3.741 0 40 IHAB Cc1noc2nc(-c3ccccc3)cc(C(=O)N3CCN(C(=O)NC4CCCCC4)CC3)c12 70038812 RAEOLHYUXOBAJH-UHFFFAOYSA-N 447.539 3.998 0 40 IHAB CCOC(=O)[C@@]1(Cc2cc(-c3ccc(F)cc3)no2)CCCN(C(=O)c2ccncc2)C1 72394107 LMJGMUPJKPVOBX-XMMPIXPASA-N 437.471 3.904 0 40 IHAB Cn1ccnc1[C@]1(O)CCCN(c2ncc(-c3ccsc3)c(-c3nccs3)n2)CC1 72396673 HIMVBVMXGIXOBT-NRFANRHFSA-N 438.582 3.940 0 40 IHAB COc1ccc(OC)c(-c2cc(C(=O)NC[C@H](c3ccccc3Cl)N(C)C)n(C)n2)c1 77200676 FEAHCOSUDBUVKZ-OAQYLSRUSA-N 442.947 3.790 0 40 IHAB O=C(NC[C@H](O)COc1cccc(C(F)(F)F)c1)c1ccc(-c2nc(C3CC3)n[nH]2)cc1 79000396 IANDTTUWSAUYHE-KRWDZBQOSA-N 446.429 3.538 0 40 IHAB COc1ccc([C@@H]2CCCN2C(=O)c2cnn(CCO[C@@H]3CCCCO3)c2C)c(OC)c1 89544821 UCWZLBUGXZPSKF-JTHBVZDNSA-N 443.544 3.729 0 40 IHAB Cc1cc(C)c(NC(=O)/C=C/c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(Cl)c1 89568887 AUWIABAPTRUVNI-VMPITWQZSA-N 434.945 3.630 0 40 IHAB Cc1ccc(NC(=O)c2c(Cl)nc3sccn23)cc1S(=O)(=O)N1CCCCC1 89651196 DJEIPWJQRVJUGF-UHFFFAOYSA-N 438.962 3.785 0 40 IHAB COC(=O)N1CCc2ccc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)cc2C1 96096316 LRENTCBFCFBEHW-UHFFFAOYSA-N 430.404 3.511 0 40 IHAB O=C(C1CC1)N1CCc2ccc(NS(=O)(=O)c3ccccc3OC(F)(F)F)cc21 96098433 ZSFRJTBNVHKIRF-UHFFFAOYSA-N 426.416 3.685 0 40 IHAB COc1cccc(NC(=O)c2ccc3nnc([C@H]4CCN(Cc5ccccc5)C4)n3c2)c1 96156171 PMLXVHAFMQGSNT-IBGZPJMESA-N 427.508 3.980 0 40 IHAB C[C@@H](C(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 100626873 JLASOBDJYBSCOP-FBAVSBLXSA-N 428.554 3.938 0 40 IHAB Cc1cccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)C(=O)c2ccccc2)c1C 102517678 GRSGMORQJVKUDN-DRRJAYDASA-N 426.516 3.961 0 40 IHAB CC(C)(C)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](C(=O)Nc1ccc(Cl)cc1)N1c3ccccc3C=C[C@H]21 102797187 BMQUXFUCWHHGEN-XRXFAXGQSA-N 449.938 3.962 0 40 IHAB COc1ccc(-c2nc(NC(=O)CCN3C(=O)[C@@H]4CCCC[C@H]4C3=O)sc2C)cc1 103029075 VMJILGNOZBRJAU-IAGOWNOFSA-N 427.526 3.631 0 40 IHAB COc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccccc2Cl)c(OC)c1 138579068 PBDGZTNNEAZXNY-UHFFFAOYSA-N 434.876 3.648 0 40 IHAB O=C(Cn1nc(-n2ccc3ccccc32)ccc1=O)Nc1ccc(F)c(C(F)(F)F)c1 206689354 YFVRSNWIADIDCD-UHFFFAOYSA-N 430.361 3.984 0 40 IHAB CC[C@@H](C(=O)NCCCc1cccc(OC)c1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 219120364 PKZNWPUQVVFVQE-QFIPXVFZSA-N 432.586 3.606 0 40 IHAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCS[C@@H](c2ccc3c(c2)OCO3)CC1 219264207 XVYVWWNCDODJOR-LJQANCHMSA-N 437.587 3.678 0 40 IHAB CN(c1ccc(F)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)OCCO3)c1 224171244 SHZZKOLRZXZRNL-UHFFFAOYSA-N 442.468 3.674 0 40 IHAB Cc1cccc(CSCCCNC(=O)c2cccc(N3CCCCS3(=O)=O)c2)c1 224390675 NWDNCHZHIABJPT-UHFFFAOYSA-N 432.611 3.978 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC3(CC2)CC(=O)c2cc(Cl)ccc2O3)cc1C 225821981 MAMRNSCBPCJTSL-UHFFFAOYSA-N 435.929 3.846 0 40 IHAB C[C@H]1Cc2ccccc2N1C(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1 226026672 NMELIULMMHXRGW-SFHVURJKSA-N 438.524 3.994 0 40 IHAB CC(C)(C)NC(=O)COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 408551738 IMPRNJCGHIHGIC-UHFFFAOYSA-N 430.448 3.800 0 40 IHAB COc1ccc(Cl)cc1N1C[C@H](C(=O)OCC(=O)Nc2cc(C)cc(C)c2)CC1=O 408648522 YXAUNDCPNIYVHY-OAHLLOKOSA-N 430.888 3.500 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccccc2)cc1 408661858 DGPNVVSXAFFTQA-UHFFFAOYSA-N 440.496 3.934 0 40 IHAB Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC=C[C@H](C)[C@H]4C3=O)cc2)cc1C 408668654 VHYZSJNORNUKHB-POCHDABASA-N 446.503 3.801 0 40 IHAB CCS(=O)(=O)N(CC(=O)Nc1ccc(Cl)cc1Cl)c1ccc2c(c1)OCCO2 408705697 LQSCQIHMDJOPMT-UHFFFAOYSA-N 445.324 3.559 0 40 IHAB O=C(CSc1nc(Nc2ccc3c(c2)OCO3)c2ccccc2n1)NCc1ccco1 575606675 PKBKKORGYSULNO-UHFFFAOYSA-N 434.477 4.104 0 40 IHAB COc1ccc([C@@H]2C[C@]3(C)NC(=O)CCC[C@@H]3N2CC(=O)Nc2ccc(F)cc2)cc1 585261756 GTOMLRAWSXKUFT-HFMPRLQTSA-N 425.504 3.647 0 40 IHAB CC1(C(=O)N2CC[C@]3(CN(Cc4ccccc4)C(=O)O3)C2)CCN(Cc2ccccc2)CC1 585261983 FGOAEQFNQBRJDI-HHHXNRCGSA-N 447.579 3.912 0 40 IHAB Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NCc4cnn(C)c4C)cc3N2)cc1 674144 KKBHQYXTBAZPTB-SJLPKXTDSA-N 432.450 3.824 0 40 IHAB CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2C2CC2)cc1 1441722 KRRCNUCYJMOLBV-IBGZPJMESA-N 427.501 3.718 0 40 IHAB CCCc1cc(=O)oc2c(C)c(OC(=O)[C@H](C)NS(=O)(=O)c3ccc(C)cc3)ccc12 2095825 TXLKNHMVSPHQNG-INIZCTEOSA-N 443.521 3.635 0 40 IHAB biogenic Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N3CCN(c4ncccn4)CC3)cc12 2420883 BNHCUDKDWMCTGI-UHFFFAOYSA-N 438.944 3.801 0 40 IHAB CC(=O)Nc1sc2c(c1C(=O)O[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1)CCCC2 2632472 XAJUJRKBAFVOOU-ZDUSSCGKSA-N 428.510 3.972 0 40 IHAB O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1F)NCc1cccs1 2640015 OSYHRERFTOLETO-UHFFFAOYSA-N 425.514 3.938 0 40 IHAB CN(C)CCCNS(=O)(=O)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 3134575 DVXFIGSTXDVTMY-UHFFFAOYSA-N 437.871 3.776 0 40 IHAB COc1ccc(C(=O)OCC(=O)Nc2nc3c(F)c(F)c(F)cc3s2)cc1OC 3311904 VKDXJNAWTSKUIJ-UHFFFAOYSA-N 426.372 3.526 0 40 IHAB O=C(Nc1ccccc1)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)Cc2cccs2)C1 4258988 RHUZXTVLOHXNLG-DLBZAZTESA-N 448.548 3.742 0 40 IHAB biogenic,in-vitro COc1ccccc1N(C[C@@H](O)COc1c(C)cccc1C)S(=O)(=O)c1ccccc1 8754166 VODADBJXJKFFQM-HXUWFJFHSA-N 441.549 3.947 0 40 IHAB COc1ccc(S(=O)(=O)[C@H](CNC(=O)c2cccc(Cl)c2)c2cccnc2)cc1 9006528 AJUBDSADCDCSRJ-HXUWFJFHSA-N 430.913 3.689 0 40 IHAB Cc1ccc2c(c1)NC(=O)c1cc(NC(=O)CN3C(=O)c4ccccc4C3=O)ccc1O2 9135115 GZLQIPPYGWNGGK-UHFFFAOYSA-N 427.416 3.588 0 40 IHAB COc1cccc(NC(=O)[C@@H]2Sc3nnc(C)n3N[C@H]2c2ccc(OC)c(Cl)c2)c1 9238619 RYPNDJFWVHOCEQ-ZWKOTPCHSA-N 445.932 3.655 0 40 IHAB CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccco3)o2)cc1 9427878 HPCMWJWMYLJWKK-HNNXBMFYSA-N 430.486 3.535 0 40 IHAB Cc1nc(S[C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c2ccccc2n1 9496927 UVAQTCFWUHZSIT-HNNXBMFYSA-N 433.537 3.855 0 40 IHAB O=C(Cc1csc(NS(=O)(=O)c2ccc(Cl)cc2)n1)NC1CCCCCC1 9828506 QQHYGLZCTOGCQT-UHFFFAOYSA-N 427.979 3.979 0 40 IHAB COc1ccc(-c2csc(NC(=O)CSc3nnc(NC4CC4)s3)n2)cc1OC 9832122 YTQWMUOZQOCPQM-UHFFFAOYSA-N 449.583 3.984 0 40 IHAB Cc1cc(C)n2c(SCC(=O)N[C@@H](c3ccc(F)cc3)c3cccs3)nnc2n1 9875949 HYISWQBLFQWRSV-SFHVURJKSA-N 427.530 3.940 0 40 IHAB O=C(c1ccc(Cl)cc1)N(Cc1ccc(Br)o1)[C@H]1CCS(=O)(=O)C1 11913834 CUPBQKNYJZVQCH-ZDUSSCGKSA-N 432.723 3.525 0 40 IHAB O=C1N[C@@]2(C[C@H]3CC[C@@H]2C[C@@H]3C(=O)N2CCC(c3ccncc3)CC2)Nc2ccccc21 12142535 PPKIIDSMOHUKKU-YKEAKSACSA-N 430.552 3.776 0 40 IHAB CC[C@H]1Oc2ccc(C(=O)c3ccco3)cc2N(CC(=O)Nc2ccc(N(C)C)cc2)C1=O 12222091 GEOVNHIRIPORQF-HXUWFJFHSA-N 447.491 3.719 0 40 IHAB CCNc1nc(C)c(C(=O)N2CCC[C@H](c3nc4ccc(F)cc4cc3C(N)=O)C2)s1 12255834 ZIPHDZFRCBVGHD-ZDUSSCGKSA-N 441.532 3.689 0 40 IHAB COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)c2ccco2)CC1 12567737 YGDQTLXGASMFNT-QHCPKHFHSA-N 433.508 3.734 0 40 IHAB O=C(Nc1ccccc1)c1ccc(CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)cc1 12568859 GOYCNTWJKZGHAV-RUZDIDTESA-N 427.460 3.669 0 40 IHAB COc1ccccc1N(C(=O)c1csnn1)[C@H](C(=O)NC1CCCC1)c1ccccc1 12637638 AHJKPULDEHYKPM-NRFANRHFSA-N 436.537 3.994 0 40 IHAB C[C@H]1Cc2ccccc2N1C(=O)CSc1nc(CN2CCOCC2)nc2ccccc12 12707375 KAHOYOQSNWDDSB-KRWDZBQOSA-N 434.565 3.532 0 40 IHAB C[C@H](NC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1)c1ccc(F)c(F)c1 12779701 QZDMVRILVTZVKS-HNNXBMFYSA-N 437.512 3.700 0 40 IHAB O=C(CCN1C(=O)CSc2ccccc21)Nc1ccc(I)cc1 12859234 PKRJOXFRMUYKJS-UHFFFAOYSA-N 438.290 3.759 0 40 IHAB NS(=O)(=O)c1ccc(CNC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)s1 12867028 XNDHJWNPXNHJER-UHFFFAOYSA-N 431.322 3.892 0 40 IHAB Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCc4ccccc43)CC2)c(C)c1 12921364 SHCHKZSIXCKESD-JOCHJYFZSA-N 426.582 3.816 0 40 IHAB COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1 12932698 AINYEKSBDYIROV-YBYKNVHQSA-N 430.570 3.949 0 40 IHAB COc1ccc2oc(C(=O)N(Cc3nc4ccccc4c(=O)[nH]3)C[C@@H]3CCCO3)c(C)c2c1 13010944 UJEZPVCXWXLPOQ-KRWDZBQOSA-N 447.491 3.808 0 40 IHAB Cc1cccc(C)c1NC(=O)CSC(=S)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 13572405 RIEHMTLPCKPGCA-DLBZAZTESA-N 427.595 3.541 0 40 IHAB CCOc1cccc(NC(=O)[C@H](C)N(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)c1 13668383 PPTMJZPGNNYJAH-ZDUSSCGKSA-N 426.922 3.541 0 40 IHAB CCNC(=O)COc1ccc(/C=C2\N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cc1OC 14227567 QYCMEVVNEYUTLB-UYRXBGFRSA-N 436.508 3.852 0 40 IHAB COc1ccc(-c2nnn3c2nc(O)c2ccc(C(=O)NCc4cccs4)cc23)cc1 15860934 MSPFXGYSTFHBOZ-UHFFFAOYSA-N 431.477 3.650 0 40 IHAB COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H](C(=O)C(C)(C)C)N2c4ccccc4C=C[C@H]32)cc1 16038425 DWVUYDLNFHGLKI-YUMYIRISSA-N 430.504 3.700 0 40 IHAB CC(C)N1CCC(CN(C)C(=O)c2cc(-c3ccccn3)c(N3CCOCC3)s2)CC1 19447797 WTDVWRWPGJQWTP-UHFFFAOYSA-N 442.629 3.839 0 40 IHAB Cc1nnsc1C(=O)N1CCC[C@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C(C)C)N2 19563481 OHLGLJNXDUYKDX-FPMFFAJLSA-N 428.484 3.964 0 40 IHAB CC1CCN(CC(=O)N2CCC[C@@H](c3nc(N(C)C)ncc3-c3cccc(F)c3)C2)CC1 19694007 YMKLHNJVRYZHHP-HXUWFJFHSA-N 439.579 3.787 0 40 IHAB CNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCN(C(=O)Cc2c[nH]c3ccccc23)C1 19695994 QFEBNONOWLSGRO-AREMUKBSSA-N 442.519 3.573 0 40 IHAB Cc1nc([C@@H]2CCCN(C(=O)c3cccnc3)C2)nc2c1CCCN2CCc1ccccn1 19753012 KDHXUKXCXATVFK-OAQYLSRUSA-N 442.567 3.590 0 40 IHAB Cc1n[nH]c(C)c1CC(=O)N1CC[C@@H](c2cc(C(=O)NCC(C)C)c3ccccc3n2)C1 19762639 NGVDIEMWUICGRZ-GOSISDBHSA-N 433.556 3.519 0 40 IHAB CCc1ccc(NC(=O)C(=O)NCCc2csc3nc(-c4ccccc4C)nn23)cc1 20604297 YHQOYQQYRQUZET-UHFFFAOYSA-N 433.537 3.626 0 40 IHAB COc1ccc(-c2coc3cc(OCCN4C[C@@H](C)O[C@H](C)C4)ccc3c2=O)cc1OC 20621776 IPRUUBMACLENNN-IAGOWNOFSA-N 439.508 3.965 0 40 IHAB biogenic COc1cc2c(cc1OC)-c1c(c(C(=O)N3CCOCC3)nn1-c1ccccc1Cl)C2 20745942 QSWSRZKGPPSQPF-UHFFFAOYSA-N 439.899 3.587 0 40 IHAB CCc1nc2sc([C@H](c3ccccc3Cl)N3CCC4(CC3)OCCO4)c(O)n2n1 22854035 KZNSGDAMQCHPPJ-INIZCTEOSA-N 434.949 3.641 0 40 IHAB Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2cccc(OCc3c(C)noc3C)c2)cc1 23908084 JNOYBVUTYBDZCQ-RUZDIDTESA-N 449.551 3.982 0 40 IHAB CC[C@@H](C)c1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@H](C)n3cncn3)cc2)cc1 24576525 ZCIBRTNFITWCKX-CVEARBPZSA-N 427.530 3.792 0 40 IHAB O=C(Nc1nc(CN2CCCCCC2)cs1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 24830498 KIIYHTJJGGEOOR-IBGZPJMESA-N 428.558 3.889 0 40 IHAB O=C(Cn1cnc2sc3c(c2c1=O)CCC3)N1N=C(c2ccco2)C[C@H]1c1ccco1 25484377 WWCNWBSNKPDKEK-HNNXBMFYSA-N 434.477 3.511 0 40 IHAB O=C(C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1)N1CCCCCC1 26108624 PLYWBRLHVXNISS-UHFFFAOYSA-N 433.401 3.938 0 40 IHAB COc1ccc(C(=O)c2ccccc2)c(OS(=O)(=O)c2cc(OC)c(OC)cc2F)c1 27944009 PMROUZQMFKIGRR-UHFFFAOYSA-N 446.452 3.850 0 40 IHAB CN(C)Cc1ccccc1CNC(=O)Cn1c(COc2ccccc2)nc2ccccc21 28643334 CMOGGFWFZQVFHV-UHFFFAOYSA-N 428.536 3.993 0 40 IHAB O=C(O)[C@@H](c1c[nH]c2cc(Br)ccc12)N1CCN(Cc2cccs2)CC1 32072031 GZWIQZZEZCNFAA-GOSISDBHSA-N 434.359 3.935 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)cc2)Cc2ccccc2)cc1C 33739571 IRYUOQNJPIEDON-UHFFFAOYSA-N 442.512 3.972 0 40 IHAB Cc1ccc(O[C@@H](C)C(=O)Nc2cccc(OCc3cc(=O)n4oc(C)cc4n3)c2)cc1 35378590 HTYKUOFQXNUFCJ-KRWDZBQOSA-N 433.464 3.889 0 40 IHAB COc1ccccc1N1CN(C[C@@H]2CCCO2)Cn2c1nc(C)c(Cc1ccccc1)c2=O 38830127 HUTPZHYPEXZLSV-NRFANRHFSA-N 446.551 3.699 0 40 IHAB CC(C)(C)c1ccc(C2(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)CCCC2)cc1 40069533 XBZSAWOHCOHZRR-UHFFFAOYSA-N 428.598 3.802 0 40 IHAB CN(C1CCCCC1)S(=O)(=O)NC[C@H](c1ccccc1)N1CCc2sccc2C1 40105695 VOHMKBGVKJNVIT-OAQYLSRUSA-N 433.643 3.946 0 40 IHAB Cc1noc2nc(-c3ccco3)cc(C(=O)Oc3ccc(OCCN4CCOCC4)cc3)c12 40146334 DNBUNDYVMTYERE-UHFFFAOYSA-N 449.463 3.721 0 40 IHAB CCc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4cccc(Cl)c4)[nH]c(=O)c32)cc1 40399354 RNDFLMBHFBXZEK-INIZCTEOSA-N 437.887 3.794 0 40 IHAB O=C(Cn1c(=O)n(Cc2ccccc2F)c(=O)c2sccc21)Nc1ccc2c(c1)CCC2 57426798 JLULURGYTAUBSJ-UHFFFAOYSA-N 449.507 3.540 0 40 IHAB CC[C@@H]1CCCCN1C(=O)Cn1c(=O)n(Cc2ccccc2Cl)c(=O)c2sccc21 57427954 IGUDCECNOUKYEX-MRXNPFEDSA-N 445.972 3.718 0 40 IHAB O=C(CN1N=C(C(=O)Nc2ccc(F)cc2)CCC1=O)Nc1cc(Cl)cc(Cl)c1 67336826 ZCZAQZIDARCNFE-UHFFFAOYSA-N 437.258 3.688 0 40 IHAB COc1ccc(CN2C[C@@H]3CCCN3C[C@@H]2CCSC)cc1Cn1nc(C)cc1C 72325135 VVVXBWZDZDRNKF-GOTSBHOMSA-N 428.646 3.959 0 40 IHAB CCc1nnc(NC(=O)[C@H]2c3ccccc3C(=O)N(C[C@H]3CCCO3)C23CCCC3)s1 72401800 VZXMDPAPBBYZHL-DNVCBOLYSA-N 440.569 3.770 0 40 IHAB Cc1nc(-c2cccs2)sc1CNC(=O)Cn1nc(-c2ccc(F)cc2)ccc1=O 90592765 QIEZYWHZQCQDMD-UHFFFAOYSA-N 440.525 3.859 0 40 IHAB COc1cc(OC)c(C(=O)N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)cc1OC 96008121 JBUFSQLIDDPYTG-LJQANCHMSA-N 425.403 3.945 0 40 IHAB COc1cc([C@H]2C=C(c3ccc(Br)cc3)Nc3nnnn32)cc(OC)c1OC 101220183 JGRYMUBONFJPIE-OAHLLOKOSA-N 444.289 3.517 0 40 IHAB CC[C@H](C)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H](C(=O)C(C)(C)C)N1c3c(ccc4cccnc34)C=C[C@H]21 103460175 AFBKHIUFLLKDFT-JEOJHICDSA-N 431.536 3.834 0 40 IHAB C[C@@H](NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(Cl)cc1 109323915 YPNMTWBEICWKKK-MRXNPFEDSA-N 436.961 3.771 0 40 IHAB COc1ccc(CCNS(=O)(=O)c2cc(C(=O)O)ccc2NCc2ccccc2)cc1 217486505 OMFZWXYUVVFDHK-UHFFFAOYSA-N 440.521 3.527 0 40 IHAB COc1ccc2c(c1)[C@@H](NC(=O)CCCN(c1ccccc1)S(C)(=O)=O)CC(C)(C)O2 219174825 IXNKCDSFNQTUTA-FQEVSTJZSA-N 446.569 3.660 0 40 IHAB CCCOc1ccccc1CCCNC(=O)[C@@H](C)N(c1cccc(C)c1)S(C)(=O)=O 220148995 CEFLSQPNHIBPRF-LJQANCHMSA-N 432.586 3.687 0 40 IHAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1CCCN1CCOCC1 222823954 RRTAQKZWMMGAQP-PKTZIBPZSA-N 441.645 3.603 0 40 IHAB Cc1ccc(OCCNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c(C)c1 223461713 RYJVXXVCBPMIFG-UHFFFAOYSA-N 438.549 3.694 0 40 IHAB CC(C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccccc1 224706185 PHEOUDCKXHAMQE-INIZCTEOSA-N 433.346 3.770 0 40 IHAB C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 224972320 DCTDIDQQKYFTCN-OAHLLOKOSA-N 437.512 3.748 0 40 IHAB CCN(c1ccc(I)cc1)S(=O)(=O)c1ccc(OC)c(F)c1 225102432 VHFVWIWQVHUSEU-UHFFFAOYSA-N 435.258 3.654 0 40 IHAB CCc1ccc(OCC(=O)N(Cc2ccc(OC)cc2)[C@@H](C)C(=O)N[C@H](C)CC)cc1 225407811 KSUMYHVKAMCORP-MOPGFXCFSA-N 426.557 3.968 0 40 IHAB C[C@@H](CC(C)(C)c1ccccc1)NC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 225645441 WTTVNWNGZPLAMH-ZWKOTPCHSA-N 432.586 3.722 0 40 IHAB COc1ccc2c(c1)c(CN1CCO[C@@H](c3cccc(-c4cnc(N)nc4)n3)C1)c(C)n2C 257238342 HKNIKTOOGVXGLP-XMMPIXPASA-N 444.539 3.503 0 40 IHAB O=C(c1cccc(Cn2ccnc2)c1)N1CCOC[C@@H](Cc2cccc3ccncc23)C1 257266481 MDFHCFUNKZFUSX-NRFANRHFSA-N 426.520 3.811 0 40 IHAB CC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N(C)C(=O)c2c(C(C)C)noc2C)CC1 257341882 ZMHVKLUDTBMSAQ-DNRQZRRGSA-N 441.572 3.556 0 40 IHAB COc1cccc(-c2ccc3nc([C@@H]4CCCN(C(=O)c5cc(C)no5)C4)nn3c2)c1OC 306142297 WVOGREQBONBYCW-QGZVFWFLSA-N 447.495 3.730 0 40 IHAB Cc1ccc(CNC(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2C)cc1 408679209 VJYKKHMRQDZZBD-UHFFFAOYSA-N 442.512 3.939 0 40 IHAB COc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(C(C)C)ccc2OC)C1 408701276 VIYNZHYXEDXWQD-GOSISDBHSA-N 446.569 3.867 0 40 IHAB Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408705180 ZJPJYSHANRBDST-MRXNPFEDSA-N 432.542 3.683 0 40 IHAB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)C1=O 408917608 YIICDBPMONFODP-NTEUORMPSA-N 429.479 3.907 0 40 IHAB CC(C)COC(=O)N[C@H](CC(N)=O)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 409005357 ZORPLGQDRBNGGY-HJFDCUHHSA-N 441.572 3.719 0 40 IHAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2cc(Br)cc(Cl)c2O)C1=O 409010499 FFEYRDVJMCSYSR-SYFUPATCSA-N 434.695 3.796 0 40 IHAB COCCN1C(=O)S/C(=C\c2ccc(OCC(=O)Nc3ccccc3C)cc2)C1=O 409201748 NUIIFRNMUVXQPT-UYRXBGFRSA-N 426.494 3.695 0 40 IHAB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)NC[C@@H]2CCCO2)cc1C 409216400 HUWZMFIJWBSQGF-NRFANRHFSA-N 436.581 3.862 0 40 IHAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(CNC(=O)c2ccccc2F)n1C 409329741 HOMWORYNIZZZTR-UHFFFAOYSA-N 447.923 3.577 0 40 IHAB COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)cc1OC 409360620 BJHHKIVSDRJYIH-YBFXNURJSA-N 426.494 3.996 0 40 IHAB Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC([C@H]2C(=O)Nc3ccccc32)CC1 508516517 XXZBRHKWOUCGOG-HSZRJFAPSA-N 426.524 3.840 0 40 IHAB Cc1ccc(N2C[C@H](C(=O)N3Cc4ccccc4[C@@H](c4cnn(C)c4)C3)CC2=O)cc1C 575619478 MHVGXVRTNLESDB-HYBUGGRVSA-N 428.536 3.564 0 40 IHAB O=C(NCc1cccnc1)[C@H]1OC2(CCN(C(=O)c3cccc(F)c3)CC2)c2ccccc21 585109831 YHEMCWAOKTVMPS-QHCPKHFHSA-N 445.494 3.740 0 40 IHAB O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)N[C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 680114305 OOXFHIVKHNGQML-LFSKCEFNSA-N 446.595 3.671 0 40 IHAB Cc1ccc(CS(=O)(=O)N2CCO[C@@H](c3cccc(Nc4ncc(C)s4)n3)C2)cc1 2037834582 SHNRVCXBWOYRSQ-LJQANCHMSA-N 444.582 3.802 0 40 IHAB Cc1ccc(Cc2nnc3n(-c4cccc(C)c4)nc(C(=O)c4ccccc4)n3c2=O)cc1 624420 CDDYCBJDNUHIJA-UHFFFAOYSA-N 435.487 3.714 0 40 IHAB aggregator O=C(Cn1cnc2c(Br)cc(Br)cc2c1=O)c1cccs1 629164 KYAFIOQNBFGJRF-UHFFFAOYSA-N 428.105 3.866 0 40 IHAB Cc1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccccc3Cl)c2=O)cc1Cl 1330910 DOZJCUCWHFXMGU-UHFFFAOYSA-N 428.279 3.836 0 40 IHAB CCOC(=O)c1c(NC(=O)CCSc2nnc3ccccn23)sc2c1CCCC2 1466035 BRERDPQWKMGNJH-UHFFFAOYSA-N 430.555 3.967 0 40 IHAB O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)NC[C@H]1CCCO1 2634121 UNYKGCIMXSGDSN-GOSISDBHSA-N 428.945 3.975 0 40 IHAB COC[C@@H](C)n1c(SCC(=O)N[C@H]2CCCc3ccccc32)nc2ccccc2c1=O 3396338 FDJNCCGJOWIIRN-UZLBHIALSA-N 437.565 3.890 0 40 IHAB CCCCCOc1ccc(-c2nc3s/c(=C\c4ccc(C(=O)OC)cc4)c(=O)n3n2)cc1 3650965 JPKFBIKKLRDSSO-HKWRFOASSA-N 449.532 3.721 0 40 IHAB O=C1N[C@@H]2CCN(C(=O)c3ccccc3)[C@@H]2C(=O)N1c1ccc(Oc2ccccc2)cc1 4278031 KRPCBUULNSMXSX-YADHBBJMSA-N 427.460 3.818 0 40 IHAB biogenic,in-vitro Cc1ccc(C)c(N2CCN([C@@H]3CCCC[C@@H]3NS(=O)(=O)c3ccccc3)CC2)c1 6804175 SIZFHFYOXGTUOV-XZOQPEGZSA-N 427.614 3.715 0 40 IHAB CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1NCC(=O)N1CCCc2ccccc21 9119569 VYDNJRMOFHJHDI-UHFFFAOYSA-N 441.475 3.803 0 40 IHAB COc1ccc(-c2nnc3n(Cc4ccc(F)cc4)c(=O)c4ccccc4n23)cc1OC 9252096 PXUBGKVTMZQMNJ-UHFFFAOYSA-N 430.439 3.916 0 40 IHAB O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)N1CCN(c2cccc(Cl)c2)CC1 9253620 DSXANCQESQMLJR-UHFFFAOYSA-N 438.911 3.663 0 40 IHAB Cc1cccc(NC(=O)CNC(=O)COC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c1C 9283874 JXTLKOQCOUIZKX-UHFFFAOYSA-N 433.508 3.575 0 40 IHAB COc1ccc([C@@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2C)cc1OC 9291997 FWZAVTNAKIPUEE-QGZVFWFLSA-N 430.254 3.748 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCCCCC3)c(C)c2)cc1 9356509 DVNBVSHYBUTCDR-UHFFFAOYSA-N 432.542 3.586 0 40 IHAB COc1ccc(C(=O)Nc2nnc(SCC(=O)N3CCCc4ccccc43)s2)cc1 9366341 UMOWRPSCOTXHKG-UHFFFAOYSA-N 440.550 3.871 0 40 IHAB O=C(CSc1ncccc1C(=O)NCc1cccs1)Nc1ccc2c(c1)OCO2 9442607 RYVSYPAQHSHJSX-UHFFFAOYSA-N 427.507 3.533 0 40 IHAB COc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc3ccccc3c2)c(OC)c1 9668448 GDXCRELBIGNDSQ-OAQYLSRUSA-N 440.521 3.649 0 40 IHAB COC(=O)c1ccsc1NC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 9722555 JNWJZRFPZUZGBS-UHFFFAOYSA-N 444.534 3.608 0 40 IHAB O=C(Cn1cnc2scc(-c3ccc(Br)cc3)c2c1=O)NCC(F)(F)F 9910957 YXYKVAYEDDNGIF-UHFFFAOYSA-N 446.248 3.566 0 40 IHAB CCOc1ccc(CCNC(=O)COC(=O)CCc2c[nH]c3ccccc23)cc1OCC 10021498 USXLWXZDFKTHIW-UHFFFAOYSA-N 438.524 3.800 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1SC[C@@H]1CCCO1 10031902 IBCQKJCLIQFHJL-SFHVURJKSA-N 446.594 3.995 0 40 IHAB O=C(Nc1ccc(-c2ccc(N3CCOCC3)nn2)cc1)c1ccc(Br)o1 10186645 FHQXNTQSELBVCF-UHFFFAOYSA-N 429.274 3.588 0 40 IHAB COc1cc(-c2nc(C(=O)N[C@@H](CO)c3ccccc3)c(C)s2)cc(OC)c1OC 11865419 KBQZNIAIGUAYAI-INIZCTEOSA-N 428.510 3.608 0 40 IHAB O=C(NC[C@@H](c1cccnc1)S(=O)(=O)c1ccccc1)c1ccc(-n2cccc2)cc1 11907129 SAOJJBMDMYNFQM-QHCPKHFHSA-N 431.517 3.817 0 40 IHAB CCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3ccc(C)c(Cl)c3)ccc21 12180518 NYRQAYJXVHNXES-UHFFFAOYSA-N 428.963 3.552 0 40 IHAB O=C(Nc1cccc(Br)c1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 12466567 QAHHGEKQLFMICW-LBPRGKRZSA-N 449.779 3.956 0 40 IHAB COc1ccc(CCNC(=O)[C@H]2CCCN2C(=O)Nc2ccc(Cl)cc2)cc1OC 12480787 IKJSJGKGRNUBSF-GOSISDBHSA-N 431.920 3.712 0 40 IHAB Cc1ccc(-n2c(S[C@H](C)C(=O)NCC(F)(F)F)nnc2N2CCCCC2)cc1 12562538 XPNDXIGGBZYZFC-CQSZACIVSA-N 427.496 3.725 0 40 IHAB COc1ccc(C(=O)C2CCN(C(=O)[C@@H](NC(=O)c3cccc(C)c3)C(C)C)CC2)cc1 12740334 KWTSXKKNBDORTF-QHCPKHFHSA-N 436.552 3.880 0 40 IHAB COC(=O)C[C@H](NS(=O)(=O)c1ccc(C)cc1Br)c1ccc(C)cc1 12871072 UMLDMRSVHNYQTG-INIZCTEOSA-N 426.332 3.649 0 40 IHAB C[C@H](OC(=O)[C@@H](C)NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CCCc2ccccc21 12911238 SNLPQDDMPRIANC-AYYPHNGDSA-N 438.568 3.619 0 40 IHAB CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(/C=C/C(=O)O)cc2)cc1 12992944 DBRVLYHQCOLKNM-CXUHLZMHSA-N 442.537 3.990 0 40 IHAB Cc1cc(C)c2[nH]c(=O)c(CN(C[C@H]3COCCO3)C(=O)Nc3ccccc3C)cc2c1 13512875 JIAMZTIMJODWIU-NRFANRHFSA-N 435.524 3.903 0 40 IHAB Cc1ccc(NC(=O)Cc2nc(-c3ccc4c(c3)CCN4S(C)(=O)=O)cs2)c(C)c1 14245146 MSAOEVQLXODGFV-UHFFFAOYSA-N 441.578 3.930 0 40 IHAB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1C 14877428 UIULSUYWYMBTGS-RGPPVUSESA-N 449.576 3.815 0 40 IHAB Cc1ccccc1-c1nc2scc(CCNS(=O)(=O)c3ccc(F)cc3F)n2n1 15783912 DMUMVSCBUVIUMF-UHFFFAOYSA-N 434.493 3.565 0 40 IHAB COc1ccc(NC(=O)CSc2nccn2-c2ccc(OC)cc2OC)c(OC)c1 16944684 QVGRKDZLZFYVTH-UHFFFAOYSA-N 429.498 3.638 0 40 IHAB O=C(NCc1cccc(F)c1)c1cc(C2CCN(C(=O)c3ccccc3F)CC2)no1 19347466 AUZBXUBMVZCKCG-UHFFFAOYSA-N 425.435 3.903 0 40 IHAB COc1ccc(CC(=O)N2CC[C@@](Cc3ccccc3-c3cccs3)(C(N)=O)C2)cc1 19554041 YQTIDWKTXUGBCY-VWLOTQADSA-N 434.561 3.913 0 40 IHAB CN(C)c1cccc(C(=O)N2CCCC[C@H]2c2nc(O)c3c(n2)CN(C2CCCC2)CC3)c1 19585051 KZJCSONGBVUGLE-QHCPKHFHSA-N 449.599 3.916 0 40 IHAB Cc1cc(C)n(CC(=O)N2CCC[C@H](c3ccc(C(=O)Nc4ccc(F)cc4)cn3)C2)n1 19705594 QZGJTFNUAOVXOR-IBGZPJMESA-N 435.503 3.693 0 40 IHAB CC[C@@H](c1ccc(F)cc1)N(C)C(=O)Cn1cc(C(=O)Nc2ccc(F)cc2)ccc1=O 19751705 OWZQYXDRHYRIQH-NRFANRHFSA-N 439.462 3.989 0 40 IHAB COc1cccc(N2CCN(C(=O)Cn3ccc4ccc(Br)cc43)CC2)c1 20724094 OCEIGKJUJIQVGB-UHFFFAOYSA-N 428.330 3.761 0 40 IHAB CCOC(=O)c1sc(Nc2ncc(C(=O)Nc3cccc(OC)c3)c(C)n2)nc1C 20799669 WXZUTNHEHMWKKY-UHFFFAOYSA-N 427.486 3.731 0 40 IHAB Cc1c(C(=O)N2CCN(CCc3ccccn3)CC2)oc2cc(Br)ccc12 21658769 CGRJXRZJMRRTBZ-UHFFFAOYSA-N 428.330 3.899 0 40 IHAB Fc1ccc(COc2ccc(Br)cc2CNCCCN2CCOCC2)cc1 22074078 AZJKXWUTZWWAQX-UHFFFAOYSA-N 437.353 3.979 0 40 IHAB CCn1c(S[C@H](C)C(=O)NC[C@H]2CCCO2)nc2scc(-c3ccccc3)c2c1=O 23079949 IYLNXCOAEWILIJ-GDBMZVCRSA-N 443.594 3.921 0 40 IHAB NC(=O)c1c(NC(=O)CCOc2ccccc2)sc2c1CCN(Cc1ccccc1)C2 23153832 RXWCOPTVYHKGFE-UHFFFAOYSA-N 435.549 3.813 0 40 IHAB COC(=O)C[C@H](NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1)c1ccc(C)cc1 24489355 VUPZAFVVWVLMEK-FQEVSTJZSA-N 441.505 3.596 0 40 IHAB O=C([C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1)N1CCCc2ccccc21 26113450 GHRFQOFZJFFWPP-XMMPIXPASA-N 448.544 3.763 0 40 IHAB O=C(NCCc1ccc(Cl)cc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 26566303 UOVBSEWQSBRCPY-UHFFFAOYSA-N 427.353 3.750 0 40 IHAB COc1ccc(-c2nc(NC(=O)CSc3nnc4c(C)cc(C)nn34)sc2C)cc1 27300537 KTJTZKLITGLLGC-UHFFFAOYSA-N 440.554 3.912 0 40 IHAB O=C(c1cccc(I)c1)N1CCCN(Cc2cccs2)CC1 28037938 QRHPHVNEMWTJKJ-UHFFFAOYSA-N 426.323 3.701 0 40 IHAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc(Cn2ccccc2=O)o1 29417500 AXCCEOFDFRUVHN-UHFFFAOYSA-N 429.480 3.727 0 40 IHAB CCCC[C@@H](CC)CNC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br 29431160 PETTWPGVQQFGDW-CYBMUJFWSA-N 431.396 3.836 0 40 IHAB COC(=O)c1c(CSc2nc3ccccc3c(=O)n2CCCO)nc2ccccc2c1C 29814976 ZFSRKTRNESPFEF-UHFFFAOYSA-N 449.532 3.714 0 40 IHAB O=C(CSCc1nc2ccccc2s1)NCc1ccc(CN2CCOCC2)cc1 29882523 SLQNNZKAQZTFKP-UHFFFAOYSA-N 427.595 3.678 0 40 IHAB COc1ccc(CC[C@@]2(C)NC(=O)N(Cc3nc4ccccc4n3C(F)F)C2=O)cc1 31740149 YEIIZXIIHSCAQK-JOCHJYFZSA-N 428.439 3.883 0 40 IHAB COc1cc(CNC(=O)CCc2c(C)c3ccc(OC)c(C)c3oc2=O)cc(OC)c1 32123893 VYXHKUSVSCVOTN-UHFFFAOYSA-N 425.481 3.685 0 40 IHAB biogenic CC(=O)NCc1ccc(S(=O)(=O)Nc2cccc(COc3cccc(F)c3)c2)cc1 32596840 AJTWISAFZRBTPB-UHFFFAOYSA-N 428.485 3.842 0 40 IHAB CCOC(=O)c1sc2nc(C)nc(N3Cc4c(OC)ccc(OC)c4[C@H](O)C3)c2c1C 32808478 PGINPVZZVIALHY-CQSZACIVSA-N 443.525 3.556 0 40 IHAB COc1ccccc1C(=O)Nc1ccc(OS(=O)(=O)N2CCc3ccccc3C2)cc1 32909197 HLKYSODEDZWDMG-UHFFFAOYSA-N 438.505 3.629 0 40 IHAB Cc1cc(C)c(NC(=O)CN(C)C(=O)c2nc(N3CCCCC3)ncc2Cl)c(C)c1 40119600 BSMZNZPHCJOYTI-UHFFFAOYSA-N 429.952 3.756 0 40 IHAB CC(C)c1ccc(-c2ccc(=O)n(CCC(=O)N3CCN(C4CCCCC4)CC3)n2)cc1 41253364 JWBAVCJMXAXYNE-UHFFFAOYSA-N 436.600 3.901 0 40 IHAB COc1cc(CNC(=O)C2CCN(Cc3ccccc3Cl)CC2)cc(OC)c1OC 44917568 JRYMISQHXIOTLU-UHFFFAOYSA-N 432.948 3.894 0 40 IHAB COc1ccc2nc(NC(=O)Cn3nc(-c4ccc(Cl)cc4)ccc3=O)sc2c1 44921036 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O=C(O)CCc1ccc(-c2ccccc2)n1NC(=O)C(=O)Nc1cccc(C(F)(F)F)c1 408563258 UZTHYYSEMYIYNA-UHFFFAOYSA-N 445.397 3.900 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 408613168 ZNJQHBBGBLYQFT-SECBINFHSA-N 437.732 3.961 0 40 IHAB COc1ccc(C(=O)CN(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)CCCC2=O)cc1 408646309 IQVSWGLORXZTET-UHFFFAOYSA-N 449.290 3.781 0 40 IHAB COc1ccc(OC)c(NC(=O)COC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)c2ccccc2)c1 408647236 BJOZVDWCEXUWAD-BSWISCRUSA-N 437.492 3.731 0 40 IHAB CCn1c(CNC(=O)c2ccccc2)nnc1SCC(=O)Nc1cc(Cl)ccc1C 409150961 FMSWWVGRFURDPE-UHFFFAOYSA-N 443.960 3.921 0 40 IHAB Brc1cc2c(cc1Cc1noc(-c3coc(C4CCOCC4)n3)n1)OCO2 564235405 XSLXSKKBWCEWPN-UHFFFAOYSA-N 434.246 3.701 0 40 IHAB C[C@]1(O)CCN(C(=O)COc2ccc(F)c(Cl)c2)C[C@@H]1Oc1cccc(Cl)c1 585262252 ZQCQBBFYXACZEI-ICSRJNTNSA-N 428.287 3.942 0 40 IHAB CC(C)(Cc1ccccc1)NC(=O)CN1CCC(O)(COc2cccc(Cl)c2)CC1 585272864 KCMDPEPDBUXMNR-UHFFFAOYSA-N 430.976 3.683 0 40 IHAB CCCCNS(=O)(=O)c1cccc(NC(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)c1 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CCCCn1c(SCc2ccc(C(=O)OC)cc2)nc2cc(S(N)(=O)=O)ccc21 6134423 UJFYQFHFJVOKQS-UHFFFAOYSA-N 433.555 3.563 0 40 IHAB C/C=C/c1ccc(OC[C@H](O)CN(C)Cc2ccc(OC)c(OC)c2OC)c(OC)c1 6904384 WMPMJSHWKDEYPU-IHHMQQGQSA-N 431.529 3.626 0 40 IHAB CCCOc1ccc(C(=O)NC(=S)Nc2nc3ccc(C(=O)OC)cc3s2)cc1 8904320 LSZHWDVBBGCKNG-UHFFFAOYSA-N 429.523 3.999 0 40 IHAB CC[C@@H](c1nnc(SCc2cc(=O)n3ccc(C)cc3n2)n1Cc1ccccc1)N(C)C 8941589 AWIPDFMBYMLZJF-FQEVSTJZSA-N 448.596 3.948 0 40 IHAB Cc1cc(Cl)ccc1NC(=O)COC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2 9127642 LVCYDCCWEDJHRG-UHFFFAOYSA-N 432.948 3.853 0 40 IHAB COc1cccc(NC(=O)[C@@H]2Sc3nnc(C)n3N[C@@H]2c2ccc(OC)c(Cl)c2)c1 9238618 RYPNDJFWVHOCEQ-QZTJIDSGSA-N 445.932 3.655 0 40 IHAB COc1cc(C(=O)OCC(=O)N2C[C@H](C)O[C@@H](C)C2)ccc1OCc1ccc(Cl)cc1 9247488 LZXQPAOGBPUUGL-HOTGVXAUSA-N 447.915 3.720 0 40 IHAB CCN1CCN(c2ccc(NC(=O)CCC(=O)c3ccc4c(c3)OCCCO4)cc2)CC1 9322022 ZIXQWPHYTLVVIP-UHFFFAOYSA-N 437.540 3.591 0 40 IHAB CC(=O)Nc1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1 9608245 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CC(=O)c1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCc3ccccc3C2)cc1 12901413 DNODTQSVBFVRNZ-UHFFFAOYSA-N 440.546 3.950 0 40 IHAB CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCN(c2ccccc2)CC1 13073482 IFLYROVHYVMMIN-HXUWFJFHSA-N 431.989 3.540 0 40 IHAB Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccc3ccccc3c2)c(=O)n(-c2ccccc2)n1C 13149458 VZIMUJISUCWBPZ-QGZVFWFLSA-N 429.476 3.822 0 40 IHAB COc1cc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2cccc(O)c2)c(OC)cc1Cl 13494470 DZYMLERTRFQNRT-IBGZPJMESA-N 441.875 3.582 0 40 IHAB Cc1ccc(N(CC(=O)NCCC(C)C)C(=O)CCC(=O)Nc2nccs2)cc1C 13501919 QMUWUJYHVFCQFC-UHFFFAOYSA-N 430.574 3.674 0 40 IHAB COc1ccc(Cl)cc1C(=O)N1CCCN(C(=O)c2cc(Cl)ccc2OC)CC1 13984290 BCSIHPIDPVAFBW-UHFFFAOYSA-N 437.323 3.999 0 40 IHAB COc1cc(Br)c(/C=C2\NC(=S)N(C3CCCCC3)C2=O)cc1OC 15260387 NJNXOMXYOFBXEO-ZSOIEALJSA-N 425.348 3.857 0 40 IHAB O=C(COc1ccc(Cl)cc1)Nc1ccc(OCc2cc(=O)n3ccccc3n2)cc1 15865403 HWBARVPNYKULAZ-UHFFFAOYSA-N 435.867 3.944 0 40 IHAB NS(=O)(=O)c1cccc(NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)c1 16200148 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439.537 3.958 0 40 IHAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)CSc2nnc(-c3ccco3)n2C)c1 27371165 BKGDCIZIRIGTJD-INIZCTEOSA-N 428.514 3.548 0 40 IHAB CCOc1cc([C@@H]2C(C(N)=O)=C(C)N=C3N=NNN32)ccc1OCc1ccccc1Cl 27563787 QJDBEFAMDNAYNF-LJQANCHMSA-N 440.891 3.675 0 40 IHAB C[C@@H](NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(Cl)cc1Cl 29494886 LDVUGMSUCNVPOP-GFCCVEGCSA-N 444.336 3.806 0 40 IHAB CC(=O)Nc1ccc(F)c(NC(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)c1 30214926 ACMWNYVONAFDDZ-LBPRGKRZSA-N 434.265 3.538 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCc2ccc(Cl)cc2Cl)s1 30679755 VJLRQIMZQJMOOZ-OAHLLOKOSA-N 433.382 3.833 0 40 IHAB COc1ccccc1Oc1ccc(NC(=O)C(=O)NCCCN2CCCC[C@H]2C)cc1 32937306 WZPWOJZMVDQQET-GOSISDBHSA-N 425.529 3.807 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccn(-c2ccccc2)n1 33155584 IYPGGTNKLKUSIJ-UHFFFAOYSA-N 442.541 3.554 0 40 IHAB COc1ccccc1NC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)c2nc3ccccc3n21 36559191 FRTMFQDMMKAJQU-FQEVSTJZSA-N 427.464 3.557 0 40 IHAB 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CC(C)(C)[C@H]1CC[C@](O)(CN2CCOC[C@](O)(COc3ccc(Cl)cc3)C2)CC1 585288250 ZLRCHCBQDRLFJJ-NMNUPHIUSA-N 425.997 3.750 0 40 IHAB CC(C)OCCCNC(=O)CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12 604405518 PCMHIDULHWXNQM-QHCPKHFHSA-N 435.524 3.513 0 40 IHAB biogenic O=C(COc1ccccc1Cl)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1 807622 RJXFBQDJBOBNQC-UHFFFAOYSA-N 439.899 3.913 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3c(C)cc(C)cc3C)CC2)cc1C 813965 WGXUFHQEELLQLR-UHFFFAOYSA-N 430.570 3.968 0 40 IHAB O=C(NN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)c1ccccc1Cl 866654 YJBMGDPGZIJORN-UJKMTWAASA-N 428.875 3.877 0 40 IHAB CCCNC(=O)c1cc2ccc(OC(=O)c3ccccc3Br)cc2oc1=O 1810898 SHINAZMBKLECCF-UHFFFAOYSA-N 430.254 3.915 0 40 IHAB CC(=O)Nc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(C(=O)c4ccc(F)cc4)C2)C3)cc1 5437758 ZQWCKYWFQPGESK-FXAWDEMLSA-N 445.494 3.872 0 40 IHAB biogenic,in-vitro CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1cn(CC(=O)N2CCCC2)c2ccccc12 6287764 IQRYPOSXWNBBHJ-JCMHNJIXSA-N 444.560 3.868 0 40 IHAB 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COC(=O)c1ccc(NC(=O)CCCn2nc(-c3ccc(Cl)cc3)ccc2=O)cc1 12440857 GZUPNJPGUPNXLC-UHFFFAOYSA-N 425.872 3.769 0 40 IHAB COCCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cc(C(=O)O)cc(C)c1C 12557110 YKBUGIUOQJDAHJ-UHFFFAOYSA-N 447.431 3.846 0 40 IHAB O=C(CN1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21)Nc1ccc(C(F)(F)F)cc1 12561657 YNVILBHKELFYKX-HXUWFJFHSA-N 447.457 3.924 0 40 IHAB CC(C)C[C@H](C(=O)OCC(=O)Nc1ccc(F)c(Cl)c1)N1C(=O)c2ccccc2C1=O 12565398 YDJJOBUBSYANTE-GOSISDBHSA-N 446.862 3.672 0 40 IHAB CCc1ccccc1NC(=O)CNC(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1 12697063 QDCCGAOQSFLDMP-UHFFFAOYSA-N 439.519 3.924 0 40 IHAB Cc1ccc2c(c1)CCCN2C(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 12786400 YUUGMIYISKWLFN-UHFFFAOYSA-N 434.508 3.653 0 40 IHAB COc1cc(NC(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)cc(OC)c1 12906782 OEICBGUCXVTVOS-UHFFFAOYSA-N 427.507 3.842 0 40 IHAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCc2ccc(Cl)cc2Cl)C1=O 12922235 POSPOIKFOCZQPU-FQEVSTJZSA-N 438.286 3.606 0 40 IHAB Cc1cc(C)c(-c2cc(NC(=O)CN3CCC[C@H](C(N)=O)C3)n(-c3ccccc3)n2)cc1C 13148726 GDOKEAXRYWEWCR-FQEVSTJZSA-N 445.567 3.600 0 40 IHAB CC(=O)c1cnn(-c2cc(Oc3ccc(S(=O)(=O)c4ccccc4)cc3)ncn2)c1C 13577079 RESHLFSTONTCKY-UHFFFAOYSA-N 434.477 3.798 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)OCc2nc3ccccc3n2C(F)F)cc1 14121172 GBSOAAKTYSWRKQ-UHFFFAOYSA-N 437.468 3.819 0 40 IHAB Cn1ccnc1[C@H](NC(=O)CCn1c(-c2cccs2)n[nH]c1=S)c1ccc(F)cc1 14403781 ZRRCAHWLMNHYHX-QGZVFWFLSA-N 442.545 3.838 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NC[C@@H](C)c2ccccc2)c1 14934530 GHPDPVIQESYRIP-LJQANCHMSA-N 443.613 3.851 0 40 IHAB COc1ccc(CNC(=O)C[C@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 15390998 YOGYPJJBTSDZPB-GOSISDBHSA-N 436.961 3.598 0 40 IHAB Cc1ccc(C(C)C)c(OCC(=O)NC(=S)Nc2ccc(CN3CCOCC3)cc2)c1 16291099 PNFMYMTXNXSKOP-UHFFFAOYSA-N 441.597 3.843 0 40 IHAB Cc1ccc(C(=O)N2CCCC[C@H]2c2nc(O)c3c(n2)CCN(C(=O)C2CCCC2)C3)cc1 19135440 VXYSTGJYWYTADC-QFIPXVFZSA-N 448.567 3.933 0 40 IHAB CCOc1ccccc1C(=O)N1CCCC[C@H]2CN(C(=O)CCCc3ccncc3)C[C@H]21 19520098 FVUSTDMTRFQROM-JTHBVZDNSA-N 435.568 3.956 0 40 IHAB CSc1nc2nc(C)c(CC(=O)O[C@H](C)C(=O)C34CC5CC(CC(C5)C3)C4)c(C)n2n1 19615126 YOOJIGDCRQSTMP-KWJFTMPMSA-N 442.585 3.723 0 40 IHAB O=C(c1ccc(-c2ccc(Cl)cc2)o1)N1CCN(S(=O)(=O)c2cccs2)CC1 19625850 AWRWZMKKHBAQLS-UHFFFAOYSA-N 436.942 3.808 0 40 IHAB COC(C)(C)C(=O)N1CCC(c2ccc3c(NCc4ccccc4F)n[nH]c3n2)CC1 19745062 IFQZZMNZHNQJGF-UHFFFAOYSA-N 425.508 3.840 0 40 IHAB CC[C@@H](C)Oc1ccc(C(=O)NC(=S)Nc2ccc(CN3CCOCC3)cc2)cc1 19809772 JBAXUKHYMJRXQT-QGZVFWFLSA-N 427.570 3.823 0 40 IHAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 20040552 QDARJAXBMONRFW-HSZRJFAPSA-N 438.549 3.837 0 40 IHAB Nc1nc(CN2CCN(Cc3ccccc3)CC2)nc(Nc2cccc3ccccc23)n1 20414462 ZPYHXXRNRLMORT-UHFFFAOYSA-N 425.540 3.668 0 40 IHAB C[C@H](NC(=O)CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O)c1ccccc1Cl 21329082 UDZFRTMLKIWKMH-WNSKOXEYSA-N 425.916 3.691 0 40 IHAB CSc1ccc(CN(C)C(=O)C[C@@H](NC(N)=O)c2cccc(Br)c2)cc1 22442259 CUARZIWSTXZWIG-QGZVFWFLSA-N 436.375 3.929 0 40 IHAB O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1F)N1CCc2ccccc21 23161508 JVHXPVZOOKALLQ-UHFFFAOYSA-N 442.487 3.745 0 40 IHAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 24749634 RIRHRLAUGNHPJN-UHFFFAOYSA-N 439.942 3.824 0 40 IHAB CCCNc1nnc(SCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)s1 26618046 BZRHKDHHRXSFNE-OAHLLOKOSA-N 434.587 3.977 0 40 IHAB O=C(Nc1ccc(N2CCCCC2)c2ccncc12)[C@@H](Cc1ccccc1)n1cnnn1 26925993 ZSGRCUOXDYFMLK-HSZRJFAPSA-N 427.512 3.634 0 40 IHAB O=C1c2[nH]nc(-c3ccccc3O)c2[C@@H](c2ccc(O)cc2)N1Cc1ccc2c(c1)OCO2 27664165 MBNYXWWYELYPEF-XMMPIXPASA-N 441.443 3.962 0 40 IHAB O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)c1cccnc1N1CCOCC1 30013086 RCUAJLBNYBFHIH-JOCHJYFZSA-N 426.520 3.961 0 40 IHAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 30848180 SVAMWMALKVIURS-NRFANRHFSA-N 441.509 3.687 0 40 IHAB CCOc1cc2c(cc1CNC(=O)CCn1c(=O)oc3cc(Cl)ccc31)O[C@@H](C)C2 32747570 OKYGRZGWFLRMOF-ZDUSSCGKSA-N 430.888 3.677 0 40 IHAB C[C@H](Sc1nnc(N2CCCCC2)n1Cc1ccco1)C(=O)N1CCc2ccccc21 32883741 WPYNVEWCTFHKES-KRWDZBQOSA-N 437.569 3.980 0 40 IHAB Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)CCCc3nc(-c4ccccc4)no3)C2)nc1 40145925 KNFCHVNMQPUOIT-IBGZPJMESA-N 433.512 3.640 0 40 IHAB O=C(O)CC1(CNC(=O)Cn2nc(-c3ccc4ccccc4c3)ccc2=O)CCCCC1 61720953 ZKMLHZRJUPZFMQ-UHFFFAOYSA-N 433.508 3.605 0 40 IHAB CC[C@H](C)n1c(SCC(=O)Nc2ccc(OC)c(OC)c2)nc2cc(C)[nH]c2c1=O 67238991 QOUPESVWZUFOGZ-ZDUSSCGKSA-N 430.530 3.752 0 40 IHAB CSc1ccc(CNC(=O)c2ccc(Oc3nccnc3N3CCOCC3)cc2)cc1 67334584 LXCLRIOUHXYPBS-UHFFFAOYSA-N 436.537 3.757 0 40 IHAB O=S(=O)(c1cccc(Cl)c1F)N1CCC2(CC1)C[C@@H]2c1nc(-c2cccnc2)no1 71890442 IQIOUQOBXNDDNW-CQSZACIVSA-N 448.907 3.883 0 40 IHAB COC(=O)c1ccc(-c2ccc([C@H]3c4c(c5ccccc5oc4=O)O[C@H]3C(=O)OC)o2)cc1 79189716 UHFZHLOXLYOFEV-SIKLNZKXSA-N 446.411 3.906 0 40 IHAB biogenic COc1cccc(-c2nc(C(=O)N3CCC(NC(=O)NC4CCCCC4)CC3)c(C)[nH]2)c1 89547888 IIHMVGOJVRVRCL-UHFFFAOYSA-N 439.560 3.630 0 40 IHAB COc1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3cccc4c3ccn4C)cc2)cc1 95480945 IJPLNZJNKVNNCU-UHFFFAOYSA-N 449.532 3.918 0 40 IHAB CCOC(=O)C1=C(CN2CCC[C@@H]2c2ccccc2)NC(=O)N[C@H]1c1ccc(OC)cc1 95947105 NZWQPAWKMUACDJ-GGAORHGYSA-N 435.524 3.703 0 40 IHAB CC(C)(C)C(=O)[C@@H]1[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN12 103537891 MVBFBZGUDXDXJB-HAGHYFMRSA-N 435.911 3.834 0 40 IHAB Cc1cc(C)cc(NC(=O)CSC(=S)N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)c1 113481414 ZUDSMDBWWPASBD-IRXDYDNUSA-N 427.595 3.541 0 40 IHAB O=S(=O)(c1ccc2c(c1)CCO2)N1CCS[C@@H]1c1ccc(F)c(Br)c1 217644905 GGSCQONQQXIZHO-QGZVFWFLSA-N 444.347 3.959 0 40 IHAB COC[C@]1(C(N)=S)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218624505 OXOAOMWXKDCWAE-RYRKJORJSA-N 430.378 3.852 0 40 IHAB Cc1ccc(C)c(OCCNC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c1 223994555 LDRNJWURBZXAPM-UHFFFAOYSA-N 438.549 3.937 0 40 IHAB CCCc1ccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)cc1 224024082 GGHPCTVGJCQKBO-UHFFFAOYSA-N 430.570 3.541 0 40 IHAB CCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(Cl)c(C)c1 224583914 WLMVHBWUIYHVIK-NRFANRHFSA-N 432.948 3.979 0 40 IHAB CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCc1ccc(OC)c(OC)c1 224625202 QVHQPPMRRYBCTB-NRFANRHFSA-N 426.557 3.622 0 40 IHAB CCOc1ccc(C(=O)N2CCC(C)CC2)cc1CN(C)S(=O)(=O)c1ccccc1 224815909 JHMBDKDRYSQUQS-UHFFFAOYSA-N 430.570 3.778 0 40 IHAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NC(C)(C)Cc3ccccc3)CC2)c1 225446469 LYGQJEPFFYDBHB-UHFFFAOYSA-N 428.598 3.674 0 40 IHAB Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c3ccccc3)C1)CC(C)(C)O2 225512253 YFSCTPJSOCUABJ-NQIIRXRSSA-N 442.581 3.814 0 40 IHAB C[C@H]1Cc2ccccc2N1C(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccccc1 225996942 VWYOXLLHCDEJNO-FQEVSTJZSA-N 434.561 3.898 0 40 IHAB CCOc1cccc(OCC(=O)N2CCO[C@@H](c3ccc(Nc4ncccc4C)cn3)C2)c1 257203082 AOPIJMGEHBQNQI-HSZRJFAPSA-N 448.523 3.906 0 40 IHAB COCC(=O)NC[C@H]1CC[C@H](c2cc(C(=O)Nc3nccs3)c3ccccc3n2)CC1 257215029 COJFQKUNMHPXKZ-WKILWMFISA-N 438.553 3.980 0 40 IHAB Cc1cc(C)n(-c2cc(N3CC(C(=O)Nc4nc5ccc(Cl)cc5s4)C3)ncn2)n1 390827449 XXXXFAMSNGCZNY-UHFFFAOYSA-N 439.932 3.617 0 40 IHAB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3ccccc3Cl)C(=O)[C@@H]2C1 408665023 ZGNTUXKPZSCBJW-PKOBYXMFSA-N 436.895 3.921 0 40 IHAB CCOC(=O)c1ccc(/C=C2\N=C(c3ccc(I)cc3)OC2=O)cc1 408729124 ARYSCUJOKMFHRU-WJDWOHSUSA-N 447.228 3.812 0 40 IHAB CCOc1c(Cl)cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1OC 409014255 HTHCSLVFCMKAHY-LICLKQGHSA-N 443.887 3.587 0 40 IHAB CCc1ccc(N(CC(=O)NCCSCc2ccccc2Cl)S(C)(=O)=O)cc1 409029326 ZEZIFVGMELXDJN-UHFFFAOYSA-N 441.018 3.718 0 40 IHAB COc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cc(Cl)cc(Cl)c3)CC2=O)cc1 409128133 HNSUFBGRMUNAKJ-LBPRGKRZSA-N 437.279 3.537 0 40 IHAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(Cl)c2)c(Cl)c1 409257166 RIKPJCQUCJGCPM-UHFFFAOYSA-N 431.341 3.945 0 40 IHAB Cc1ccc(NC(=O)CSc2nc(O)cc(N=[S@](=O)(O)c3ccccc3)n2)cc1 409415942 XJNBKMKLIFENDF-UHFFFAOYSA-N 430.511 3.853 0 40 IHAB CNC(=O)c1cccc(CNC(=O)N2CC3(CCCC3)c3cc4c(cc3[C@H]2C)OCCO4)c1 504893359 AXYRTOOFCSIHET-QGZVFWFLSA-N 449.551 3.916 0 40 IHAB CC1(C)CC[C@@H]2C[C@@H](NC(=O)NCc3ccc([C@]4(C)NC(=O)NC4=O)cc3)c3cccc1c32 537364639 ZHBPJQJMLLNLPF-YPXVIYJXSA-N 446.551 3.840 0 40 IHAB CC(C)CS(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 585146913 IOSFSXYDHYAADC-ZDUSSCGKSA-N 447.928 3.583 0 40 IHAB COc1cccc(C(=O)N2CCC3(CCCCc4ccccc4OCCOC3=O)CC2)n1 643573462 FLNBIFAMJWWMBE-UHFFFAOYSA-N 438.524 3.661 0 40 IHAB O=C(c1cccc(Cl)c1)N1CC(S(=O)(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)C1 1622068762 MZWVGANRJQYWHP-RZDIXWSQSA-N 439.364 3.683 0 40 IHAB CC(C)(C)c1ccc2nnc(C3CCN(C(=O)c4cccc(-n5cccn5)c4)CC3)n2n1 1888922204 MDYALIRPSZQXOE-UHFFFAOYSA-N 429.528 3.627 0 40 IHAB CCOC(=O)c1cccc(NC(=O)CSc2nnc(Cc3ccc(OC)cc3)o2)c1 633772 VSAJOACPRGPKDT-UHFFFAOYSA-N 427.482 3.577 0 40 IHAB COc1cc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc(OC)c1OC 1694496 UAELIRBOLQZEAT-UHFFFAOYSA-N 432.425 3.520 0 40 IHAB biogenic,in-vitro CC(C)[C@H](C(=O)OCC(=O)Nc1ccccc1C(F)(F)F)N1C(=O)c2ccccc2C1=O 1917053 NWXGGAGVAJEKAN-GOSISDBHSA-N 448.397 3.508 0 40 IHAB CC(C)[C@@H](C(=O)OCC(=O)Nc1cc(Cl)ccc1Cl)N1C(=O)c2ccccc2C1=O 1917055 PNQWMNAOOUJXRB-SFHVURJKSA-N 449.290 3.796 0 40 IHAB CCCc1cc(=O)oc2cc(OCC(=O)N[C@H](Cc3ccc(Cl)cc3)C(=O)O)ccc12 2125286 YYXQOCDJYCJZFJ-LJQANCHMSA-N 443.883 3.590 0 40 IHAB biogenic Cc1cccc(N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3)CC2)c1C 2954400 NARYPQURFZXMEQ-QGZVFWFLSA-N 429.923 3.798 0 40 IHAB Cc1ccccc1-n1nc2c(c1NC(=O)c1ccccc1Br)CS(=O)(=O)C2 3008458 HPKMQUGYKLIATJ-UHFFFAOYSA-N 446.326 3.624 0 40 IHAB Cc1ccc(F)cc1S(=O)(=O)Nc1cccc(C(=O)OCC(=O)NC2CCCCC2)c1 3441862 OQSWEEHKORFRQT-UHFFFAOYSA-N 448.516 3.541 0 40 IHAB Cc1cc(C(=O)CSc2nnnn2-c2ccccc2)c(C)n1Cc1ccc2c(c1)OCO2 3542963 IVQWTASYOAQLAY-UHFFFAOYSA-N 447.520 3.833 0 40 IHAB COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)Nc1ccccc1F 3608888 YHTVEHGRQCXXJZ-UHFFFAOYSA-N 426.469 3.838 0 40 IHAB CCOc1cc(NC(=S)NCCOC)c(OCC)cc1NC(=O)c1ccc(OC)cc1 6089676 AOZUAAHOGJAANY-UHFFFAOYSA-N 447.557 3.678 0 40 IHAB CCOc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccncc3)ccc2C)cc1 6140387 CRZHHZHSFJTEGL-UHFFFAOYSA-N 425.510 3.520 0 40 IHAB Cc1cccc2cc([C@@H](c3nnnn3Cc3ccccc3)N3CCC(C)CC3)c(=O)[nH]c12 6443859 YKKCZADJNDCLCP-QHCPKHFHSA-N 428.540 3.693 0 40 IHAB COc1ccc2cc(CN(Cc3ccco3)Cc3nnnn3C3CCCCC3)c(=O)[nH]c2c1 8586334 JWLTXKASOAYFAT-UHFFFAOYSA-N 448.527 3.824 0 40 IHAB CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)c1C 9120084 MKLVHUMMQRDIRG-KBPBESRZSA-N 431.558 3.753 0 40 IHAB COc1ccccc1C(=O)N1[C@H]2CCCC[C@@H]2NC(=O)[C@H]1CC(=O)Nc1ccc(C)c(C)c1 9123887 PTBCTVVKUYENGB-FDFHNCONSA-N 449.551 3.593 0 40 IHAB COc1cccc(N2CCN(C(=O)c3cn(-c4ccccc4)nc3-c3cccnc3)CC2)c1 9207224 SCWNROGHOKTHDF-UHFFFAOYSA-N 439.519 3.905 0 40 IHAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NCCSc3nccn3C)cc12 9376584 YEHGXWDWSGQGPY-UHFFFAOYSA-N 429.546 3.849 0 40 IHAB COc1ccc2c(c1)[C@@H]1C[C@](C)(O2)N(C)C(=O)[C@H]1S(=O)(=O)c1ccc(C(C)C)cc1 9407612 SLJZKUWMQWWDMC-RRPUWOKSSA-N 429.538 3.715 0 40 IHAB CCOC(=O)C1=C(COC(=O)CCc2c[nH]c3ccccc23)NC(=O)N[C@H]1c1ccccc1 9550186 ZRHDDDSFBHNMCZ-QHCPKHFHSA-N 447.491 3.515 0 40 IHAB COc1ccc(/C=C(\C(=O)N2CCN(c3cccc(C)c3C)CC2)n2ccccc2=O)cc1 9849755 YEVLRLVCOYFHRW-NCELDCMTSA-N 443.547 3.821 0 40 IHAB Cc1cc(C)n2c(SCC(=O)Nc3ccc4c(c3)OC3(CCCCC3)O4)nnc2n1 9869314 VMGBTKFTQAIGNC-UHFFFAOYSA-N 425.514 3.904 0 40 IHAB CCN(C(=O)c1cn(Cc2ccccc2)nc1-c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 9882215 SJRNPMKJTNBNLI-NRFANRHFSA-N 437.565 3.556 0 40 IHAB Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 9882334 QBDLYEKBRSEKJS-UHFFFAOYSA-N 449.532 3.940 0 40 IHAB CCSc1nn(CC(=O)Nc2cccc(C)c2C)c(N)c1S(=O)(=O)c1ccccc1 10272655 URFHGQGNFIBBNY-UHFFFAOYSA-N 444.582 3.666 0 40 IHAB CCOC(=O)c1cc(CC)sc1N1C(=O)C[C@@H](Sc2ccccc2C(=O)OC)C1=O 10434428 JCQQDPGNECHNEP-MRXNPFEDSA-N 447.534 3.698 0 40 IHAB C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)Nc1ccccc1N1CCCCC1)C2=O 12523230 NGAHPAQTJJMACX-XDHUDOTRSA-N 426.561 3.752 0 40 IHAB COc1ccc(C(=O)Nc2ccc(Nc3ccc(-n4ccc(C)n4)nn3)cc2)cc1OC 13009639 ODMXHVYBDAYVJQ-UHFFFAOYSA-N 430.468 3.984 0 40 IHAB COc1cc(C)c(CN2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)cc1OC 13038012 UGKXATPMPNCJNC-UHFFFAOYSA-N 432.586 3.642 0 40 IHAB O=C(CCCCCn1c(=O)[nH]c2ccccc2c1=O)N1CCC(Cc2ccccc2)CC1 13570017 FBWRJZNLXTVCAN-UHFFFAOYSA-N 433.552 3.732 0 40 IHAB CCOc1ccccc1CCCNC(=O)[C@@H](C)N1c2cccc3cccc(c23)S1(=O)=O 13632208 ZWXPKVMBFDCCTA-QGZVFWFLSA-N 438.549 3.885 0 40 IHAB COc1cc(-c2nn3c(-c4cncc(Br)c4)nnc3s2)cc(OC)c1OC 13685164 HQWDQUOYRISZGU-UHFFFAOYSA-N 448.302 3.703 0 40 IHAB COc1cccc(NC(=O)Cn2cnc3c(oc4nc(C(C)C)c5c(c43)CCC5)c2=O)c1 13730511 OVTINOBIOQOTLN-UHFFFAOYSA-N 432.480 3.797 0 40 IHAB COc1ccc(S(=O)(=O)N(C)Cc2csc(-c3ccc(OC)c(OC)c3)n2)cc1 14313184 CBGFDKZXRFLNHJ-UHFFFAOYSA-N 434.539 3.657 0 40 IHAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 14426190 WJYAZGJDDHIXFY-UHFFFAOYSA-N 449.743 3.920 0 40 IHAB C[C@@H](NC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)c1ccc(-n2ccnc2)cc1 15565852 FVOIBDGKOXPMDE-OAHLLOKOSA-N 447.564 3.859 0 40 IHAB Cc1cc(NC(=S)NC(=O)c2ccc3c(c2)OCCO3)ccc1NC(=O)c1ccco1 17101334 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3.521 0 40 IHAB Cc1n[nH]cc1C(=O)N1CC[C@@H](c2cc(C(=O)Nc3nccs3)c3ccccc3n2)C1 19761384 MKWZKYTXKZOMRI-CQSZACIVSA-N 432.509 3.605 0 40 IHAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 20458323 JLMGCKZPAWCASY-HSZRJFAPSA-N 438.549 3.530 0 40 IHAB COCCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Sc1ccc(OC)c(OC)c1 20493083 OZNMOCZHXGIGTF-OAHLLOKOSA-N 432.542 3.589 0 40 IHAB CCc1ccc(Cn2nccc2NC(=O)CCCN2C(=O)c3ccc(C)cc3C2=O)cc1 21599790 PEHDQFIQQNLYBU-UHFFFAOYSA-N 430.508 3.817 0 40 IHAB CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(OCC(=O)NCc2ccco2)cc1 22233000 OPMFMPZWBKYGAM-UHFFFAOYSA-N 448.928 3.594 0 40 IHAB CCCOc1ccc(N(CC(=O)NCc2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1 22385269 HZXUPPJHFDHLST-UHFFFAOYSA-N 445.368 3.865 0 40 IHAB O=C(NC[C@H](c1ccccc1)N1CCCC1)C1CCN(C(=O)c2ccc(F)cc2F)CC1 22464434 JEAQZJHBOZMRMT-HSZRJFAPSA-N 441.522 3.770 0 40 IHAB CC[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccc(C)cc2)CC1)c1ccc(OC)cc1 22522921 YJSFFJWTVMFGJM-QHCPKHFHSA-N 444.597 3.813 0 40 IHAB Oc1c([C@@H](c2ccc(F)cc2)N2CCN(c3ccc(F)cc3)CC2)sc2ncnn12 22609743 UMMZRJZBWKPTTE-GOSISDBHSA-N 427.480 3.686 0 40 IHAB CCOc1ccccc1-c1nnc(S[C@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)o1 23267799 WBCFRIPNOUCMKU-CYBMUJFWSA-N 447.538 3.870 0 40 IHAB COc1ccc(Br)cc1S(=O)(=O)NCc1cccc(CN2CCCC2)c1 26843062 NDAFLXWRVUDODQ-UHFFFAOYSA-N 439.375 3.532 0 40 IHAB CCOc1ccc(C(=O)N(Cc2c(F)cccc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1 27663543 MVENZFWMVDVMPS-OAHLLOKOSA-N 425.909 3.707 0 40 IHAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(-c2ccco2)nn1-c1ccccc1 28639145 RBEPBPRGTOLEJH-UHFFFAOYSA-N 425.448 3.641 0 40 IHAB CC(C)[C@H](CNc1nc(CN2CCOCC2)nc2sc3c(c12)CC[C@@H](C)C3)N(C)C 32902992 XKTAKTCJWOTUKI-AEFFLSMTSA-N 431.650 3.646 0 40 IHAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)O2 38850610 JVPRPJYIWOCOCZ-MRXNPFEDSA-N 448.850 3.833 0 40 IHAB COc1ccc(C(=O)N[C@@H](C(=O)OCc2cc(=O)oc3c(C)c(C)ccc23)C(C)C)cc1 39656648 FKTIQGUASOCWQU-JOCHJYFZSA-N 437.492 3.916 0 40 IHAB O=C(CSCCOc1ccc(Cl)cc1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 40161362 FFLXVVQNDLGJOG-SFHVURJKSA-N 439.986 3.672 0 40 IHAB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)NCc2ccc(OC(C)C)cc2)CC1 44901851 VLTYMGUEOGEYLD-UHFFFAOYSA-N 444.597 3.640 0 40 IHAB O=C(Cn1nc(-c2ccc(Br)cc2)ccc1=O)NCc1cccc(Cl)c1 49549768 IVXQGNXBAUTTMC-UHFFFAOYSA-N 432.705 3.643 0 40 IHAB Cc1cc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc(F)cc3C)c2=O)ccc1F 57494638 BXMIKABGCNWHAZ-UHFFFAOYSA-N 441.459 3.748 0 40 IHAB COc1ccc(NS(=O)(=O)c2n[nH]c(C)c2C(=O)Nc2cc(Cl)ccc2C)cc1 67245474 GLTMRATUYUVVDQ-UHFFFAOYSA-N 434.905 3.742 0 40 IHAB Cc1nc([C@@H]2CCCN2C(=O)c2ccncc2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 72378149 JYBXYPCVCKSKFD-NRFANRHFSA-N 445.498 3.776 0 40 IHAB O=C(C[S@](=O)Cc1csc(Br)c1)Nc1ccc(N2CCCC2=O)cc1 84414285 PNAQCDXBMYWQHR-VWLOTQADSA-N 441.372 3.525 0 40 IHAB COc1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1)C(=O)/C2=C\N1C[C@@H](C)O[C@H](C)C1 89930217 BSKYHPVDXNYGRX-DVVSODDZSA-N 426.900 3.986 0 40 IHAB O=C([C@H]1CN(Cc2ccccc2)CCO1)N(CC(F)(F)F)[C@@H]1CCCc2cccnc21 95462417 ZINAICWIEJTJBY-WOJBJXKFSA-N 433.474 3.751 0 40 IHAB CCN1C(=O)C2(CCN(CC(C)C)CC2)CC12CCN(C(=O)NCc1ccccc1)CC2 96143700 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C[C@@H]1CCCN(c2cc(N3CCCC3)nc(NC(=S)NCc3ccc(F)cc3)n2)C1 225947101 VSONGRVDJGJHNJ-MRXNPFEDSA-N 428.581 3.939 0 40 IHAB CCS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(Cc3noc(C(C)C)n3)cc2)c1 225969333 UXRCELMXTAYVMR-UHFFFAOYSA-N 428.514 3.798 0 40 IHAB CC(C)(C)C(=O)NC[C@](O)(c1ccccn1)[C@@H]1CCCN(Cc2ccc(F)c(F)c2)C1 257201415 AHQLHOFDFITKKU-HOYKHHGWSA-N 431.527 3.622 0 40 IHAB O=C(Cc1c[nH]c2ccccc12)N1CCO[C@H](c2cc(CCOc3ccccc3)[nH]n2)C1 257218842 DEORVIDNRVPOAW-DEOSSOPVSA-N 430.508 3.655 0 40 IHAB O=C(CN1CCC(c2cccc(Nc3ncccn3)n2)CC1)N1CCCc2ccccc21 257243025 IFFOXUFPOIGYJS-UHFFFAOYSA-N 428.540 3.774 0 40 IHAB Cc1ncsc1C(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CCCCC2)C1 257251408 JQQJSLCHTFPVKA-ICSRJNTNSA-N 427.570 3.764 0 40 IHAB Cc1ccc2ncnc(NCCC(=O)N3CCC[C@@H]3c3ccnc(-c4ccccn4)n3)c2c1 257259649 KZIFVQVNCZGFQK-JOCHJYFZSA-N 439.523 3.956 0 40 IHAB CS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1)Cc1ccc(Br)cc1 408612529 SBUMXYHOINCQDS-UHFFFAOYSA-N 431.739 3.503 0 40 IHAB Cc1ccccc1C(=O)NCc1nn(CC(=O)Nc2cccc3ccccc23)c(=S)n1C 409155638 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CC(C)CNC(=S)N(Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 6015132 ISZNYHRIFNWQNZ-UHFFFAOYSA-N 429.567 3.851 0 40 IHAB COc1ccc([C@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2C(=O)C(C)(C)C)cc1 8710318 AVRPJCBTPYODLD-HXUWFJFHSA-N 429.542 3.791 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)NCc3cn4ccccc4n3)c2)c1 9376543 JXYUOIUSCXSVCC-UHFFFAOYSA-N 434.521 3.682 0 40 IHAB Cc1ccc(N2C[C@H](C(=O)Nc3nnc(SCc4cccnc4)s3)CC2=O)cc1C 9517982 OTCRHLHITVVLJN-MRXNPFEDSA-N 439.566 3.834 0 40 IHAB CCOc1ccccc1Nc1nnc(SCC(=O)NC(=O)NCc2ccccc2)s1 9589068 OODZKTRMLCZXNB-UHFFFAOYSA-N 443.554 3.799 0 40 IHAB CC(C)(C)C(=O)/C=c1\[nH]c(=O)/c(=C\c2cccc(NC(=O)c3ccccc3Cl)c2)s1 9630867 NFEXYTYNQSQVAC-HWFDSFFDSA-N 440.952 3.567 0 40 IHAB CC(=O)C[C@]1(O)C(=O)N(CCCOc2ccccc2C)c2ccc(Br)cc21 9872953 AJZMBNJGJFXXBD-OAQYLSRUSA-N 432.314 3.740 0 40 IHAB CCOc1cc([C@H]2C(C(=O)Nc3ccccc3OC)=C(C)Nc3ncnn32)ccc1OC 9934747 CHFRSFALRIKPBP-NRFANRHFSA-N 435.484 3.622 0 40 IHAB O=C(CCCS(=O)(=O)c1ccccc1)Nc1nnc(-c2ccc3c(c2)CCCC3)o1 10218382 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Cc1cnn(CC(=O)N2CCc3nc(-c4cccnc4)nc(Nc4ccc(F)cc4)c3C2)c1 19239918 FCKKDOBNJYDBHB-UHFFFAOYSA-N 443.486 3.511 0 40 IHAB O=C(c1cc(C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)no1)N1CCC[C@H](O)C1 19292862 NUSVARYXUHQPKD-INIZCTEOSA-N 438.355 3.958 0 40 IHAB CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@@H]2CCN(Cc3ccccc3Cl)C2)n1 19694747 HFTBJMTZLOWLOG-LJQANCHMSA-N 435.959 3.951 0 40 IHAB COc1cc([C@@H]2CC(=O)c3cn4nc(-c5ccccc5)nc4nc3C2)cc(OC)c1OC 19816660 NFHQXIHHMWYPDO-HNNXBMFYSA-N 430.464 3.730 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)c2cccc(C)c2)cc1 20234909 QSIYUVPDZIHTSC-UHFFFAOYSA-N 438.505 3.866 0 40 IHAB COc1ccc([C@H]2CSCCN2C(=O)Cc2c(C)c3ccc(OC)cc3oc2=O)cc1 20745057 LHSMXYQONQTGDL-OAQYLSRUSA-N 439.533 3.978 0 40 IHAB O=C(OCc1cc(=O)n2ccsc2n1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 21543479 WRRTTWQEFJNVTB-LJQANCHMSA-N 432.457 3.567 0 40 IHAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)NCCCN1CCOCC1 22056545 QBZGUHLGMHOROJ-FMIVXFBMSA-N 434.515 3.530 0 40 IHAB COc1ccc(-c2cc(-c3nn4c(-c5ccc(OC)c(OC)c5)nnc4s3)[nH]n2)cc1 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Cc1cccc2c(=O)n(CCC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCCO4)cnc12 27153989 ZRYQZBAKZDPCNS-HXUWFJFHSA-N 433.508 3.620 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(OC)c(Cl)c2)c(C)c1 28207730 DMBFHNPYYNBIFS-UHFFFAOYSA-N 440.949 3.705 0 40 IHAB Cc1c(-c2ccccc2)oc2c(C(=O)Nc3ccc(OCC(N)=O)cc3)cccc2c1=O 29014079 ZFXYTWJHBXMFKR-UHFFFAOYSA-N 428.444 3.885 0 40 IHAB C[C@H](NC(=O)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1Cl 31310219 NATWGBFEISTQBO-AWEZNQCLSA-N 426.870 3.753 0 40 IHAB Cc1occc(=O)c1OCc1ccc(-c2noc(C(=O)NCc3cccc(F)c3)n2)cc1 32072473 PTZIIKRBUHIDNW-UHFFFAOYSA-N 435.411 3.646 0 40 IHAB O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1cc2cc(Br)ccc2[nH]1 32759181 DPKYUIZAWBKVNB-KRWDZBQOSA-N 434.359 3.795 0 40 IHAB C[C@H](OC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1)C(=O)c1cccc(Cl)c1 32842635 XKHSMXYZRPQDSW-ZFWWWQNUSA-N 441.958 3.617 0 40 IHAB CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)C[C@H]2OC(=O)c3ccccc32)cc1 32972152 QQSFNXROMSSKQR-OAQYLSRUSA-N 442.537 3.880 0 40 IHAB CCOc1cc(C)ccc1OCc1nnc(SCC(=O)Nc2nccs2)n1CC 34690048 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Cc1cccc(N(C)C(=O)Cn2c(=O)n(-c3ccc(F)cc3C)c(=O)c3sccc32)c1 57493574 USMSEZIJMZGKNL-UHFFFAOYSA-N 437.496 3.633 0 40 IHAB Cc1cccc2c(=O)n(CC(=O)Nc3ccc(N4CCc5sccc5C4)cc3)cnc12 58152291 SAYCHCIBRDZZTC-UHFFFAOYSA-N 430.533 3.968 0 40 IHAB CC(=O)Nc1ccc(Br)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 58244682 UTZNCWFJTLZRNC-CQSZACIVSA-N 430.302 3.708 0 40 IHAB CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC(=O)Nc1c(C)cc(C)cc1C 58354902 DEBKBUIFOPSJGZ-HTAPYJJXSA-N 435.568 3.666 0 40 IHAB COCCOc1ccc(NC(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)cn1 58406759 QVUACUBTXYBQFJ-UHFFFAOYSA-N 427.501 3.512 0 40 IHAB CC(=O)N1CCCc2cc(S(=O)(=O)Nc3ccccc3SC(=O)N(C)C)ccc21 60381076 IPCIWPKODUBTOC-UHFFFAOYSA-N 433.555 3.560 0 40 IHAB CC1(C)NC(=O)N(CC(=O)Nc2nc(-c3cccs3)c(-c3cccs3)s2)C1=O 69972804 VPJNLNGTMGUODK-UHFFFAOYSA-N 432.552 3.869 0 40 IHAB O=C(C[C@@H](CN1CCN(C/C=C/c2ccccc2)CC1)C(=O)O)Nc1ccc(Cl)cc1 71279567 DXFXUJLNSHCZDV-PDGUBNMISA-N 441.959 3.700 0 40 IHAB Cc1cccc(N2C[C@H](C(=O)Nc3sc4c(c3C(N)=O)CCCCC4)CC2=O)c1C 72104950 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0 40 IHAB O=C1CCc2cc(S(=O)(=O)N3CCS[C@@H](c4ccccc4F)CC3)cc3c2N1CC3 219166049 REHYUJBSAJWQHU-HXUWFJFHSA-N 446.569 3.530 0 40 IHAB CC[C@H](C(=O)NCc1ccc(OC(C)C)cc1)N(c1cc(C)ccc1C)S(C)(=O)=O 220552193 DFPAZWGBJOXALZ-OAQYLSRUSA-N 432.586 3.952 0 40 IHAB CC[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 220702379 NPWKQPOUCISDJF-HNNXBMFYSA-N 445.324 3.905 0 40 IHAB Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)c3cc(=O)[nH]c4ccccc34)C2)n1 220815465 ICOJWKPORJIKHI-KRWDZBQOSA-N 428.492 3.981 0 40 IHAB CCOc1ccc(C(=O)N2c3ccc(S(=O)(=O)Nc4nccs4)cc3C[C@@H]2C)cc1 223378454 SENPFVQNQFQAIU-AWEZNQCLSA-N 443.550 3.934 0 40 IHAB COc1ccccc1CN(C)S(=O)(=O)c1ccc(SC)c(C(=O)N2CCCCC2)c1 223854949 VCXHIQVCOCHEHS-UHFFFAOYSA-N 448.610 3.864 0 40 IHAB COCCn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(NC(C)=O)cc1 223967817 MSXATJXFIPXIMR-YADHBBJMSA-N 435.553 3.665 0 40 IHAB COC(=O)c1ccc(OC)c(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)c1 224025569 ZPKFSHUMFRCJAK-UHFFFAOYSA-N 440.477 3.535 0 40 IHAB Cc1cc(C)cc(OCCNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)c1 224076254 OEEZWOQOICXLFY-UHFFFAOYSA-N 436.961 3.550 0 40 IHAB COCCn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(OC)cc1OC 224801348 RCMYOCLPQUHTHC-YADHBBJMSA-N 438.553 3.724 0 40 IHAB CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccccc1Cl 225488776 ZTAIATMYGXWWPB-CYBMUJFWSA-N 439.737 3.645 0 40 IHAB CCn1c(=O)sc2cc(S(=O)(=O)N[C@H]3CC(C)(C)Oc4cc(OC)ccc43)ccc21 225697559 DVCGPNAOVUWXTI-INIZCTEOSA-N 448.566 3.672 0 40 IHAB CCn1cc(S(=O)(=O)N2CC[C@@H](c3cc(Nc4cccc(F)c4)cc(C)n3)C2)c(C)n1 257215816 CRTYFVUDNODSKX-QGZVFWFLSA-N 443.548 3.976 0 40 IHAB Cc1nc2cc([C@H]3CCCN3Cc3ccncc3)nn2c(C)c1CCC(=O)NCC1CC1 257240180 HSLQYGSRIZUNHN-HSZRJFAPSA-N 432.572 3.537 0 40 IHAB COCc1ccc(C(=O)N2CCC3(CC2)CO[C@@H]([C@@]2(C)CC[C@H](O)C(C)(C)O2)C3)cc1 257297627 RIEGFNDUCIAUQE-YZUZCNPQSA-N 431.573 3.553 0 40 IHAB CC(C)(NC(=O)COc1ccccc1)C(=O)N1CCC[C@@H](Cc2cccc3[nH]ncc23)CC1 257299292 RPLKTSJMMJALNC-LJQANCHMSA-N 448.567 3.708 0 40 IHAB CN1c2ccccc2N(C2CCN(C(=O)c3cc(Cl)ccc3Cl)CC2)S1(=O)=O 390831144 PXNLFJQYBJHYRQ-UHFFFAOYSA-N 440.352 3.799 0 40 IHAB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1)Nc1cccc(Cl)c1 408665265 RFBRZZIOBGIYNM-OALUTQOASA-N 438.867 3.591 0 40 IHAB C[C@H]1Oc2c(cccc2C(=O)N[C@@H](Cc2ccc(O)cc2)c2nc3ccccc3[nH]2)NC1=O 520571315 MVVFLWFQBJSOHT-SZNDQCEHSA-N 442.475 3.702 0 40 IHAB COc1ccccc1CC(=O)N1CCCCN(C)C(=O)c2cc(Cl)ccc2OCC1 643550376 XJKNWKABPQWBGW-UHFFFAOYSA-N 430.932 3.665 0 40 IHAB Cc1ccc(-c2noc([C@@H](C)NC(=O)c3c[nH]c4cc(F)c(F)cc4c3=O)n2)cc1F 1622862630 QCNPJTVBRARCTE-SNVBAGLBSA-N 428.370 3.795 0 40 IHAB CCCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCN(c2ccccc2OC)CC1 1775978992 XEWAVSJBLYQBLX-UHFFFAOYSA-N 438.977 3.957 0 40 IHAB CCOc1ccc(NC(=O)CSc2nnc(COc3ccccc3OC)n2C)cc1 903369 GQHODNNAADVYJO-UHFFFAOYSA-N 428.514 3.532 0 40 IHAB CC(C)(C)NS(=O)(=O)c1ccc(-c2nnc(SCC(=O)c3ccc(F)cc3)o2)cc1 905480 QHBKUJPQPIGUJW-UHFFFAOYSA-N 449.529 3.928 0 40 IHAB COc1ccc(-c2noc([C@@H]3CCCN(S(=O)(=O)c4ccc(Cl)cc4)C3)n2)cc1 1362649 YQXGBHWECDJYLJ-OAHLLOKOSA-N 433.917 3.967 0 40 IHAB COc1ccc(-c2noc([C@@H]3CCCN(S(=O)(=O)c4ccc(C)cc4)C3)n2)cc1OC 1363020 KORIJNDJSVWMKV-QGZVFWFLSA-N 443.525 3.631 0 40 IHAB O=C1c2ccccc2C(=O)N1Cc1ccc(S(=O)(=O)NC2CCCCCCC2)cc1 1445394 DZMWAZDONAEOKN-UHFFFAOYSA-N 426.538 3.874 0 40 IHAB O=C(NCc1cccs1)C1=NOC2(CCN(C(=O)c3cccc4ccccc34)CC2)C1 1491222 BYUYADUKBRWTFT-UHFFFAOYSA-N 433.533 3.969 0 40 IHAB CCc1cc(=O)oc2cc(OC(=O)CCNS(=O)(=O)c3ccc(C)cc3)c(Cl)cc12 2375832 VHWONOHWHHLHEA-UHFFFAOYSA-N 449.912 3.591 0 40 IHAB COc1ccc(N(CC(=O)Nc2cccc(C)c2)S(=O)(=O)c2ccccc2)c(OC)c1 3112825 JHSYNXKOOBQEDJ-UHFFFAOYSA-N 440.521 3.846 0 40 IHAB COc1cc(C(C)=O)ccc1OCC(=O)Nc1ccc(I)cc1C 3606361 XOZVQXTTXKBIPC-UHFFFAOYSA-N 439.249 3.828 0 40 IHAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCCO2 6146644 DRZWXSNBUMWELS-UHFFFAOYSA-N 442.468 3.958 0 40 IHAB COc1ccc(-c2cc(=O)oc3cc(OCC(=O)N=c4[nH]c5ccccc5[nH]4)ccc23)cc1 8764311 SRFITFCHESVRBK-UHFFFAOYSA-N 441.443 3.784 0 40 IHAB biogenic CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N12 9086443 RDULOQLZXJOLDH-UAFMIMERSA-N 427.287 3.972 0 40 IHAB COc1ccccc1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 9094878 YBSFIENUJYEZES-HXUWFJFHSA-N 444.940 3.877 0 40 IHAB CCN(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)Cc1cccs1 9257443 BNUFGPBOJGNCMP-UHFFFAOYSA-N 435.615 3.773 0 40 IHAB CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCC(Cc3ccccc3)CC2)C1=O 9373153 CHICKAMFQKEIJB-AREMUKBSSA-N 433.552 3.715 0 40 IHAB CN(Cc1nc2ccccc2s1)C(=O)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 9584877 FMBXJZHWUZMTHG-UHFFFAOYSA-N 435.958 3.663 0 40 IHAB C[C@@]1(c2cc3ccccc3o2)NC(=O)N(Cc2cc3c(cc2Br)OCO3)C1=O 9587038 OJWXNSSVGYZTQQ-FQEVSTJZSA-N 443.253 3.891 0 40 IHAB O=C1CCc2cc(S(=O)(=O)Nc3ccc(OC(F)(F)F)cc3)cc3c2N1CCC3 9708651 LLYGJEDTOVJTHQ-UHFFFAOYSA-N 426.416 3.611 0 40 IHAB O=S(=O)(Nc1ccc2c(c1)N(S(=O)(=O)c1cccs1)CCC2)c1ccccc1 9708671 BYCRCIPVMPEIJU-UHFFFAOYSA-N 434.564 3.690 0 40 IHAB Cc1cccc(C(=O)N[C@@H](c2nnc(SCC(=O)NC3CCCCC3)n2C)C(C)C)c1 9762555 XSDNUMBTDDQXCF-HXUWFJFHSA-N 443.617 3.792 0 40 IHAB COc1ccc(C(=O)C2CCN(C(=O)CNC(=O)c3ccc(Cl)cc3Cl)CC2)cc1 9983521 SNEJPLYLVDOMBR-UHFFFAOYSA-N 449.334 3.853 0 40 IHAB CC(C)C(NC(=O)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1)C(C)C 10009334 CKAKGCZNDFOWRS-NRFANRHFSA-N 430.570 3.581 0 40 IHAB COC[C@@H](C)NC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)S(C)(=O)=O)cc1 10369446 VZHMZXBTRFCQMJ-CYBMUJFWSA-N 445.368 3.724 0 40 IHAB O=C(NCc1ccccc1F)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O 11403225 IFMSIEMZVDKLBF-UHFFFAOYSA-N 434.876 3.916 0 40 IHAB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(C)C)n2[C@@H](C)COC)c1 11478632 UJNVVPIZUNBBFG-INIZCTEOSA-N 440.635 3.931 0 40 IHAB Cc1cc(Br)ccc1NC(=O)CNC(=O)COC(=O)CCC1CCCCC1 11713186 HHFKOGUKQOHGBF-UHFFFAOYSA-N 439.350 3.716 0 40 IHAB CCOC(=O)Nc1ccc2c(COC(=O)CCc3ccc4c(c3)OCO4)cc(=O)oc2c1 12450003 LLMFKHTZVWUGFE-UHFFFAOYSA-N 439.420 3.766 0 40 IHAB COc1ccccc1Nc1ncccc1C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 12538184 GRVJCEYCXAPIMI-UHFFFAOYSA-N 438.509 3.527 0 40 IHAB COc1ccccc1N1CCN(C(=O)CCn2c(-c3cccc(C)c3)n[nH]c2=S)CC1 12593070 WKXOTPLDUVGUSS-UHFFFAOYSA-N 437.569 3.664 0 40 IHAB COc1ccc(CCNC(=O)c2ccccc2NC(=O)CN2CCc3ccccc3C2)cc1 12641250 DRDFYYOIXOPXRG-UHFFFAOYSA-N 443.547 3.665 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCN(Cc2nc3ccccc3s2)CC1 12697672 RSMLPQVLKMEPFU-UHFFFAOYSA-N 445.592 3.986 0 40 IHAB COc1ccc(OC)c([C@H]2CCCN2C(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)c1 12746396 FCWFHARBTLZPSA-GOSISDBHSA-N 436.430 3.816 0 40 IHAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 12781064 YCSYZWUOQSSMMH-MRXNPFEDSA-N 440.521 3.689 0 40 IHAB Cc1ccc(C(C)C)c(OCC(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@H]2CCCO2)c1 12785716 PTQHEJYQTGHNSY-LJQANCHMSA-N 449.551 3.942 0 40 IHAB Cc1ccc(Cn2nc(C)c3cc(C(=O)N4Cc5ccccc5C[C@H]4C(N)=O)sc32)cc1 12797490 LTTXGFPPXKUYEX-NRFANRHFSA-N 444.560 3.815 0 40 IHAB Cc1ccc(NC(=O)CN2CCC(C(=O)NCc3ccccc3)CC2)cc1Br 12809897 ZPVXMXGHFGDXAS-UHFFFAOYSA-N 444.373 3.724 0 40 IHAB CCc1ccccc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 12814547 ACKZOMBIZNBBLW-QGZVFWFLSA-N 438.553 3.791 0 40 IHAB COc1ccc(CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C2CC2)cc1 12920998 ZVBORRDXBBHDMI-UHFFFAOYSA-N 442.581 3.596 0 40 IHAB COc1ccc2[nH]c3nc(SCC(=O)Nc4nc(C(C)(C)C)cs4)nnc3c2c1 13086566 JEDQASPYQOAGQB-UHFFFAOYSA-N 428.543 4.000 0 40 IHAB COc1ccc([C@@]2(C)NC(=O)N(Cc3cc(=O)oc4cc(C)c(Cl)cc34)C2=O)cc1 13098076 RUMWQZHPJVGHPD-JOCHJYFZSA-N 426.856 3.731 0 40 IHAB O=C(CNC(=O)c1ccc(NC(=O)c2cccs2)cc1)Nc1ccc(F)c(F)c1F 13109451 LDYZIWCAKZWUPS-UHFFFAOYSA-N 433.411 3.786 0 40 IHAB O=C1CCC[C@]2(O)[C@@H]1[C@@H](c1cccc(Br)c1)NC(=O)N2Cc1ccccc1 13144283 WZFPULSDAOVPET-ZVDOUQERSA-N 429.314 3.773 0 40 IHAB COc1ccc(Cn2nnnc2[C@@H](c2ccccc2)N2CCN(c3ccccc3)CC2)cc1 13504924 BGWYFLOALYHEFD-RUZDIDTESA-N 440.551 3.642 0 40 IHAB O=S1(=O)c2ccccc2[C@@H](O)[C@H](Cc2c(F)cccc2Cl)N1Cc1cccnc1 13690276 BYYBMMMYSVDTPP-PZJWPPBQSA-N 432.904 3.723 0 40 IHAB Cc1c(-c2ccc(Cl)cc2)c(=O)oc2c3c(ccc12)OCN([C@@H]1CCS(=O)(=O)C1)C3 13692333 JPUIZXQKDRTTFJ-MRXNPFEDSA-N 445.924 3.761 0 40 IHAB biogenic Cc1ccc(NC(=O)c2ccc(NC(=O)C[C@@H]3SC(N4CCCC4)=NC3=O)cc2)cc1 14683192 VPXDYCHLKFLWKP-IBGZPJMESA-N 436.537 3.670 0 40 IHAB CCOC(=O)c1c(NC(=O)CSc2ncccn2)sc2c1CC(C)(C)NC2(C)C 15933661 HXVRUNOWHILEAA-UHFFFAOYSA-N 434.587 3.605 0 40 IHAB C[C@@H](OC(=O)CCCSc1nc2ccccc2s1)C(=O)NC(=O)NC1CCCC1 16718566 SDHBMNOYZZIDOV-CYBMUJFWSA-N 435.571 3.869 0 40 IHAB COc1ccccc1-n1ncc2c(O)nc(SCC(=O)Nc3cccc(Cl)c3)nc21 16974301 GGSFJXAHRQFNTB-UHFFFAOYSA-N 441.900 3.914 0 40 IHAB CC(C)c1cc(C(=O)N2CCO[C@H](c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)[nH]n1 19451877 NMWOKXFWUPMEBB-INIZCTEOSA-N 435.406 3.816 0 40 IHAB COc1ccc(OC)c(C(=O)N2CCC(c3cc(N(C)C)nc(-c4ccncc4)n3)CC2)c1 19584602 RVUZPQJONCZANJ-UHFFFAOYSA-N 447.539 3.642 0 40 IHAB Cc1nc([C@@H]2CCCN2C(=O)c2ccccn2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 19740515 BVWAPVZLABYHNO-NRFANRHFSA-N 445.498 3.776 0 40 IHAB Cc1nc(N)c2ccc([C@@H]3CCCN(C(=O)c4cccc(N5CCCCC5)c4)C3)nc2n1 19743506 NMZIKWZJIBMLNW-LJQANCHMSA-N 430.556 3.926 0 40 IHAB CCN(CC)C(=O)c1cnc([C@@H]2CCCCN2C(=O)CCn2ncc3ccccc32)nc1C 19765621 VLMIVAVVTJPCLO-QFIPXVFZSA-N 448.571 3.761 0 40 IHAB COc1ccccc1N(CC(=O)N[C@@H](c1ccccc1)c1ccccc1C)S(C)(=O)=O 19932399 HGIZQWWDCMLKNR-DEOSSOPVSA-N 438.549 3.675 0 40 IHAB CCn1c(SCC(=O)Nc2ccccc2I)nnc1C(C)C 20034352 CUNAMHVMAIEVTE-UHFFFAOYSA-N 430.315 3.757 0 40 IHAB COc1ccc([C@@H](NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)c2nccn2C)cc1 22471135 KKEJFLZLDFBMFG-SIKLNZKXSA-N 447.539 3.578 0 40 IHAB CCOC(=O)C1CCN([C@@H](c2ccccc2Cl)c2sc3nc(C)nn3c2O)CC1 22626266 WOEPRGFBQGIBMB-INIZCTEOSA-N 434.949 3.823 0 40 IHAB O=C(NC[C@H](c1ccsc1)N1CCc2ccccc2C1)C(=O)Nc1cc(F)ccc1F 22766773 PFYXQDZUKHBZHG-OAQYLSRUSA-N 441.503 3.881 0 40 IHAB COc1ccc([C@H](CNC(=O)Cc2c(C)nc3ccccc3c2C)N2CCOCC2)cc1 23883024 LXXHOHFBBJLLRT-VWLOTQADSA-N 433.552 3.592 0 40 IHAB COc1ccc([C@H](CNS(=O)(=O)c2ccccc2Br)N2CCCC2)cc1 23994261 GZAOSKGBMBBMNE-SFHVURJKSA-N 439.375 3.573 0 40 IHAB COc1ccc(OC[C@H](O)CSc2nc3sccc3c(=O)n2-c2ccccc2)cc1 24089979 GODQYGZAUTZNCG-INIZCTEOSA-N 440.546 3.988 0 40 IHAB CCOC(=O)C1=C(CSc2nnc(SCC)s2)NC(=O)N[C@@H]1c1cccs1 24901045 PCFCDBCPXVNKDM-GFCCVEGCSA-N 442.613 3.675 0 40 IHAB C[C@@H](C(=O)Nc1cccc2ncccc12)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 25153583 YNSSKMMLRLLOAJ-KRWDZBQOSA-N 445.519 3.928 0 40 IHAB Cc1nn(Cc2ccc(Br)cc2)c(C)c1S(=O)(=O)N(C)Cc1ccco1 29467252 KICGBFYUCZEUQO-UHFFFAOYSA-N 438.347 3.724 0 40 IHAB CCN1CCN(c2ccc(NC(=S)NC(=O)c3cccc(Br)c3)cc2)CC1 32125322 ZILBDOGKXGDZFJ-UHFFFAOYSA-N 447.402 3.718 0 40 IHAB O=C1N[C@@H]2CS[C@@H](CCCCC(=O)N3CCC(c4nc5ccccc5s4)CC3)[C@@H]2N1 32843277 XMSNOZBJEWQKIQ-IMFGXOCKSA-N 444.626 3.728 0 40 IHAB CC[C@H]1CCCCN1C(=O)CSc1nc2c3cc(OC)ccc3n(C)c2c(=O)n1CC 33287533 DKNJDYQAQVGOAU-HNNXBMFYSA-N 442.585 3.800 0 40 IHAB COc1ccc(OC)c(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)c1 33366048 DZSDJXGMEVVUEG-CAOOACKPSA-N 434.420 3.657 0 40 IHAB Cc1cc(C(=O)N2CCN(Cc3cccc(F)c3)CC2)c2cnn(-c3ccccc3F)c2n1 36616609 JSNARHDHLJMUAC-UHFFFAOYSA-N 447.489 3.965 0 40 IHAB COc1ccc([C@H]2Nc3ccccc3C(=O)N2CCCC(=O)NCc2ccccn2)cc1 61719611 ZZXPDLFHAQZZQD-DEOSSOPVSA-N 430.508 3.753 0 40 IHAB CN(C)[C@H](CNC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1cccc(F)c1 69366575 DJSOGJVFSWXGMX-HNAYVOBHSA-N 437.437 3.617 0 40 IHAB CN(Cc1nccn1CC(F)(F)F)C(=O)c1ccc(CNC(=O)c2cccs2)cc1 70012691 SMSOCNIRGXPBPJ-UHFFFAOYSA-N 436.459 3.709 0 40 IHAB COc1ccc(CCS(=O)(=O)NCC2CCN(c3nc4ccccc4s3)CC2)cc1 70923709 NGCBZBGLFNDWRA-UHFFFAOYSA-N 445.610 3.683 0 40 IHAB O=C1NCCN(C(=O)CCc2cccc(Cl)c2)[C@H]1Cc1ccccc1-c1cccnc1 72351538 OSYHYNUFWQMLNN-QHCPKHFHSA-N 433.939 3.904 0 40 IHAB CCCCC[C@H](NC(=O)CCCCCn1c(=S)[nH]c2ccccc2c1=O)C(=O)OC 79026134 WPPVDTYLVDVBKN-SFHVURJKSA-N 433.574 3.858 0 40 IHAB COc1cc2ncn(CCCC(=O)Nc3cccc(-c4nc(C)co4)c3)c(=O)c2cc1OC 79102760 ZPEJXWZEMAGWCR-UHFFFAOYSA-N 448.479 3.796 0 40 IHAB O=C(Cc1ccccc1)NCCC(=O)NC1(c2nc(-c3cccs3)no2)CCCCC1 89828184 BEKPAWARPREVIY-UHFFFAOYSA-N 438.553 3.823 0 40 IHAB COc1ccc(OC)c(-n2cc(C(=O)Nc3ccc(OC)nc3)c3ccccc3c2=O)c1 95476006 PESQCEQPEVACGA-UHFFFAOYSA-N 431.448 3.664 0 40 IHAB CCN1CC[C@]2(CN(CC(C)C)CC23CCN(C(=O)c2cccc4cccnc24)CC3)C1=O 96262778 MOMSGDQWSZXQSG-MHZLTWQESA-N 448.611 3.667 0 40 IHAB COc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2ccc(C(=O)O)cc2)cc1 98212008 LJVGBJOGAPLZKI-UHFFFAOYSA-N 446.506 3.532 0 40 IHAB Cc1csc2nc(CN3CCCC[C@H]3[C@H]3CCCN3C(=O)OC(C)(C)C)cc(=O)n12 106172008 FTFLKOBZRCPQIJ-ZWKOTPCHSA-N 432.590 3.818 0 40 IHAB C[C@H](OC(=O)CNC(=O)c1sc2ccccc2c1Cl)C(=O)N[C@H]1CCCC[C@@H]1C 108824506 XDIKRBALKWNFBN-YDHLFZDLSA-N 436.961 3.911 0 40 IHAB CN1CCN(Cc2ccc3oc(-c4cccc(I)c4)nc3c2)CC1 216839620 MOTNOXKWLVGCTL-UHFFFAOYSA-N 433.293 3.847 0 40 IHAB CC[C@H](C(=O)Nc1ccccc1C(F)(F)F)N(c1cccc(OC)c1)S(C)(=O)=O 220617679 CCZJRQFSVRVDDC-QGZVFWFLSA-N 430.448 3.897 0 40 IHAB Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)CNC(=O)OCc3ccccc3)C2)n1 220813361 PJXMDSVAISWAQJ-HXUWFJFHSA-N 448.523 3.753 0 40 IHAB CSc1ccc(S(=O)(=O)N2CCC(C(=O)NC(C)(C)Cc3ccccc3)CC2)cc1 222589397 CDJKHOPBQMIVCM-UHFFFAOYSA-N 446.638 3.947 0 40 IHAB CCc1ccc(N(CCCC(=O)N[C@@H](C)COc2ccc(C)cc2)S(C)(=O)=O)cc1 222648911 YXLQTMIWYQTQAZ-IBGZPJMESA-N 432.586 3.687 0 40 IHAB CC(C)(C)c1ccccc1OCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 223740985 VKYFJHRYFBERLL-LJQANCHMSA-N 444.597 3.580 0 40 IHAB Cn1c(=O)sc2cc(S(=O)(=O)Nc3ccc(OCc4ccccc4)cc3)ccc21 225673763 CUTJYMLCSVBVKH-UHFFFAOYSA-N 426.519 3.980 0 40 IHAB COc1cccc(Cc2cnc([C@@H]3CCCN(C(=O)CN(C)Cc4cccnc4)C3)o2)c1 257206515 BDVQMTQNHWRISJ-OAQYLSRUSA-N 434.540 3.507 0 40 IHAB Cc1cc(C)nc(NCCC(=O)N2CCC[C@H]2c2cncc(Cc3cccc(F)c3)n2)n1 257227386 FPAYETZLKKPVNW-QFIPXVFZSA-N 434.519 3.779 0 40 IHAB O=C(c1cccc(Cn2ccnc2)c1)N1CCC[C@H]1c1nc(Cc2ccc(F)cc2)n[nH]1 257252863 JWKKEGYPLDKELV-NRFANRHFSA-N 430.487 3.757 0 40 IHAB O=C(NCC[C@@H]1CCCCN1C(=O)c1cccc(CN2CCCC2=O)c1)c1ccccc1 257302369 SCQAPNPBBYLEGJ-QHCPKHFHSA-N 433.552 3.624 0 40 IHAB CCc1nccn1-c1cccc([C@H]2CCCN2C(=O)Cn2c(COC)nc3ccccc32)n1 257338743 YYUHVBMSDIZWLM-HXUWFJFHSA-N 444.539 3.690 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](C)c3ccccc3)C2)cc1C 408557213 MBZUMFDZSBRBJC-UYAOXDASSA-N 430.570 3.672 0 40 IHAB Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC[C@H](C)C[C@H]4C3=O)cc2)cc1 408664902 PSRISCZRLDSXFT-ZLGUVYLKSA-N 434.492 3.716 0 40 IHAB CCCCN1C(=O)S/C(=C\c2cn(CC(=O)NC[C@@H]3CCCO3)c3ccccc23)C1=O 409146915 UHXCGSAGERYNLD-BRLDDBHUSA-N 441.553 3.773 0 40 IHAB O=C(CN1C(=O)S/C(=C/c2ccc3c(c2)OCCO3)C1=O)Nc1ccccc1Cl 409249026 IXFKKESRCIEOSD-LICLKQGHSA-N 430.869 3.786 0 40 IHAB COc1ccccc1Cc1nnc(N2CCO[C@H]([C@@H]3CCCO3)C2)n1CCc1ccccc1 670156096 KBYZVXHGXDVJGN-ZEQRLZLVSA-N 448.567 3.504 0 40 IHAB Cc1cc(N2CC[C@@H]3CN(S(=O)(=O)c4ccc5ncsc5c4)C[C@@H]3CC2)ccn1 2056224506 LCCTVNGKCAMZNJ-CALCHBBNSA-N 428.583 3.537 0 40 IHAB Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NCc4cn(C)nc4C)c3N2)cc1 647153 XUVGWVCFQXCKRE-MSOLQXFVSA-N 432.450 3.824 0 40 IHAB COc1ccc(-n2ncc3c(SCC(=O)Nc4cccc(NC(C)=O)c4)ncnc32)cc1 1346608 LFGNUYYBZGMRRA-UHFFFAOYSA-N 448.508 3.513 0 40 IHAB CC(C)Oc1ccc(C(=O)N[C@]2(C(F)(F)F)NC(=O)N(C3CCCCCC3)C2=O)cc1 2595210 AZTSYTGQLTXUKG-FQEVSTJZSA-N 441.450 3.737 0 40 IHAB C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)Nc2ccc3c(c2)CCC3)C1=O 3406566 KWPBNICIXVHPSB-NRFANRHFSA-N 432.307 3.888 0 40 IHAB COc1cc([C@H]2OC[C@H]3[C@H]2CO[C@H]3c2cc(OC)c3c(c2)OCO3)cc(OC)c1OC 8655654 DHWUVPPRBIJJKS-CALQCPNCSA-N 430.453 3.525 0 40 IHAB endogenous,in-man C[C@@H](Sc1nnc(-c2cccnc2)n1N)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 8878463 LJGIAIPSDLGHNX-SECBINFHSA-N 442.854 3.845 0 40 IHAB Cc1ccc(CNC(=O)c2ccccc2NCC(=O)Nc2ccc3c(c2)OCCO3)cc1 9118710 XLTIUBOSXVKZEL-UHFFFAOYSA-N 431.492 3.747 0 40 IHAB COc1ccc(CC(=O)Nc2nnc(SCC(=O)Nc3ccc(F)cc3)s2)cc1 9365727 LOBOPIZSORYVOW-UHFFFAOYSA-N 432.502 3.598 0 40 IHAB CC(=O)c1cccc(OCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)c1 9481635 XRUGEFFBISXBBH-UHFFFAOYSA-N 444.553 3.780 0 40 IHAB O=C(Nc1nnc(SCc2ccc(F)cc2)s1)[C@H]1CC(=O)N(c2ccccc2)C1 9517889 RYDASZOWMBCSQQ-AWEZNQCLSA-N 428.514 3.961 0 40 IHAB O=C(c1ccco1)N1CCN(C(=O)c2cc(-c3cccs3)nn2-c2ccccc2)CC1 9764897 JEJVKESSSYHARL-UHFFFAOYSA-N 432.505 3.792 0 40 IHAB COc1ccc(C)cc1CN(C)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 9861803 BWFUNGXCETYNDK-UHFFFAOYSA-N 445.585 3.520 0 40 IHAB O=C(NCc1cccc(Cl)c1)c1ccc2c(=O)n(CCc3ccccc3)c(=O)[nH]c2c1 9936169 SMGHSAKMVYNGGH-UHFFFAOYSA-N 433.895 3.516 0 40 IHAB CCc1cccc(C)c1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(C)ccc2OC)C1 9974735 FPNKRXZENKLCTQ-LJQANCHMSA-N 430.570 3.914 0 40 IHAB CCOC(=O)c1cc(Cl)c(OCc2nnc3n(C)c(=O)c4ccccc4n23)c(Cl)c1 10190769 FXVPEJWFMJFCSA-UHFFFAOYSA-N 447.278 3.644 0 40 IHAB Cc1ccc(S(=O)(=O)CCC(=O)Nc2nnc(-c3ccc4c(c3)CCCC4)o2)cc1 10220605 NUGIUKOKRIHTRZ-UHFFFAOYSA-N 425.510 3.726 0 40 IHAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1 10461518 DGINBYASAMVASM-UHFFFAOYSA-N 432.432 3.764 0 40 IHAB C[C@@H](OC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2)C(=O)NCc1cccs1 10886918 RJZQGPHOQSKTQJ-CQSZACIVSA-N 427.501 3.813 0 40 IHAB CN(C)c1ccc(NC(=O)CN2CCC(n3c(=O)oc4ccc(Cl)cc43)CC2)cc1 12143881 QBJHZEJZQWNWAP-UHFFFAOYSA-N 428.920 3.590 0 40 IHAB CCc1nn(CC(=O)NC2(c3cccc(F)c3)CCCC2)c(=O)c2cc3ccsc3n12 12181596 BSRZMPAUNKOKEX-UHFFFAOYSA-N 438.528 3.998 0 40 IHAB O=C(/C=C1\SC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O)Nc1ccc(F)cc1 12438130 FFCFMRGYFJEUGB-DHDCSXOGSA-N 433.848 3.636 0 40 IHAB aggregator Cc1cc(C(F)(F)F)nn1-c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 12446660 HAPCQFOKPJCSLY-UHFFFAOYSA-N 439.415 3.772 0 40 IHAB CCCN(Cn1nc(-c2cccs2)n(-c2ccccc2)c1=S)[C@H]1CCS(=O)(=O)C1 12515178 ZJQNODZPTROEIE-KRWDZBQOSA-N 448.639 3.988 0 40 IHAB CN1C[C@@H](NC(=O)c2ccc(-c3ccccc3)cc2)C[C@H]1c1nc(-c2ccncc2)no1 12529828 RZMJMVQWIMSIMJ-VXKWHMMOSA-N 425.492 3.974 0 40 IHAB biogenic,in-vitro COC(=O)c1cc(NC(=O)c2nccnc2-c2nc3ccccc3s2)cc(C(=O)OC)c1 12825192 HHOOOINGNNOLKS-UHFFFAOYSA-N 448.460 3.579 0 40 IHAB CCOc1cc2c(cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1)O[C@H](C)C2 12919891 OZMWVSIPEZZJNT-GFCCVEGCSA-N 438.933 3.565 0 40 IHAB CCc1sc(C(=O)NCC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cc1C 12933187 UATQOSFBJVFWDT-UHFFFAOYSA-N 434.005 3.783 0 40 IHAB CCOC(=O)c1sc2nc(CN3CCCCC3)nc(SCCC(=O)OC)c2c1C 12940944 RRZQYZFKJXNZKY-UHFFFAOYSA-N 437.587 3.818 0 40 IHAB Cc1nc(-c2ccc(CNC(=O)c3cccc(S(=O)(=O)NC4CC4)c3)s2)cs1 12982643 JRDAGXZEYJRSDP-UHFFFAOYSA-N 433.580 3.551 0 40 IHAB Cc1ccc(CN(C)C(=O)c2ccc(CN3C(=O)c4ccccc4S3(=O)=O)cc2)c(C)c1 12987639 GMFZYHSWILUFSD-UHFFFAOYSA-N 448.544 3.920 0 40 IHAB Cc1cccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Br)s2)c1C 13005328 KIIOCOCKYFKCHC-CQSZACIVSA-N 443.388 3.919 0 40 IHAB COCC(=O)Nc1nc2n(n1)[C@@H](c1ccccc1Cl)C[C@@H](c1ccc(OC)cc1)N2 13127414 DPVMPIVJZJFLDH-ZWKOTPCHSA-N 427.892 3.671 0 40 IHAB CCOC(=O)c1sc2nc([C@H](C)N(C)Cc3ccc(OC)cc3OC)[nH]c(=O)c2c1C 13140806 KFRLOQYSWWKSPD-ZDUSSCGKSA-N 445.541 3.680 0 40 IHAB Cc1ccc([C@H](C)N2c3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCC[C@H]32)cc1 13145658 CKBLYSLKUICESQ-FDDCHVKYSA-N 427.570 3.523 0 40 IHAB O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1)c1ccc(Br)o1 14273575 LADNASUWAJANGN-UHFFFAOYSA-N 444.285 3.850 0 40 IHAB COC(=O)c1ccc(NC(=O)CN(Cc2ccc(OC(F)F)c(OC)c2)C2CC2)cc1 15036251 ZJMFSKZEWJGVGF-UHFFFAOYSA-N 434.439 3.686 0 40 IHAB CC(=O)Nc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4F)C(=O)[C@H]3ON2c2ccccc2)cc1 18066485 IZFKBBWLZQVYJB-VJBWXMMDSA-N 445.450 3.835 0 40 IHAB CCN1CCN(C(=O)[C@H](C)n2nccc2C)C[C@@H](Cc2ccccc2-c2ccccc2)C1=O 19527633 WAGVPMAJKGLTCM-XUZZJYLKSA-N 444.579 3.969 0 40 IHAB COc1ccc(CN2CCNC(=O)[C@H](Cc3ccccc3-c3cccnc3)C2)cc1OC 19561120 KMQXYFWSNHBUST-JOCHJYFZSA-N 431.536 3.557 0 40 IHAB CN(C)c1ncc(-c2ccc(F)cc2)c([C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)n1 19694507 WSWSABJQGGEZNZ-GOSISDBHSA-N 440.544 3.917 0 40 IHAB Cc1nc2ccc(C(=O)N3[C@H](Cc4cccc(F)c4)C[C@@H]4NC(=O)CCCC[C@H]43)cc2[nH]1 19713880 XUPHEVWTSXHPSM-WTIAFYNJSA-N 434.515 3.895 0 40 IHAB COc1ccc2c(c1)c(CN1CCC[C@H](c3nc(C)c4c(n3)N(C)C(=O)CC4)C1)c(C)n2C 19741482 AGQRGBQLHYIHHU-SFHVURJKSA-N 447.583 3.882 0 40 IHAB COc1cc([C@H]2CC(=O)c3cn4nc(-c5ccccc5)nc4nc3C2)cc(OC)c1OC 19816663 NFHQXIHHMWYPDO-OAHLLOKOSA-N 430.464 3.730 0 40 IHAB CCN(Cc1ccccc1)C(=O)[C@@H](C)Sc1nnc([C@H]2COc3ccccc3O2)n1C 22083370 HXOYYRBPOHEXLS-OXQOHEQNSA-N 438.553 3.857 0 40 IHAB CC(C)Oc1ccc(N(CC(=O)NCc2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1 22385239 QQQRVBJCFMTLIA-UHFFFAOYSA-N 445.368 3.863 0 40 IHAB O=S(=O)(NC[C@@H](c1ccccc1)N1CCN(Cc2ccccc2)CC1)c1ccccc1 22920408 XOFZUTNEDQBOSF-VWLOTQADSA-N 435.593 3.524 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)CSC(C)(C)C)c1 22921190 PODXFZOJCFWUBS-UHFFFAOYSA-N 427.636 3.788 0 40 IHAB COc1ccc(Cn2nnnc2[C@H](CC(C)C)N2CCN(Cc3ccccc3)CC2)cc1 22929458 SPGHMSDPCAJMAX-DEOSSOPVSA-N 434.588 3.635 0 40 IHAB COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccccc2OC(F)F)CC1 30684138 MJFFVTXAYZLHQA-SFHVURJKSA-N 438.858 3.614 0 40 IHAB COc1ccccc1OCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@]1(O)C(F)(F)F 32101205 CYSMDVFHGAWZOT-GOSISDBHSA-N 428.794 3.615 0 40 IHAB Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)c2[nH]c3c(c2C)C(=O)CC(C)(C)C3)c1C 32744926 KSPWCATTYMLTIT-UHFFFAOYSA-N 431.558 3.598 0 40 IHAB CCn1c(CSc2nc3ccccc3s2)nnc1SCc1nnnn1C1CC1 40057282 RXBGIACCZBKZOM-UHFFFAOYSA-N 430.588 3.814 0 40 IHAB Cc1cc(CN2CCC(CNS(=O)(=O)c3ccc(Br)s3)CC2)c(C)o1 43954384 WOXHEGONCOJZSB-UHFFFAOYSA-N 447.420 3.911 0 40 IHAB Oc1ccccc1-c1nc(CSc2nnnn2-c2ccc(OC(F)(F)F)cc2)no1 48301673 VSZJAWGVUXZOCS-UHFFFAOYSA-N 436.375 3.609 0 40 IHAB O=C(CSc1nncn1Cc1ccco1)Nc1ccnn1Cc1cccc(Cl)c1 48374098 VHTTZWZLJHBSDU-UHFFFAOYSA-N 428.905 3.548 0 40 IHAB COc1ccc(OC)c(CNC(=O)c2nnn(-c3ccc(C)c(C)c3)c2-c2cccnc2)c1 49003668 JLBPJOFTMSXMKV-UHFFFAOYSA-N 443.507 3.893 0 40 IHAB COc1ccc(-c2cc(C(=O)Nc3ccc(I)cc3)n[nH]2)c(OC)c1 57413004 ZWKHBIMINGANBV-UHFFFAOYSA-N 449.248 3.951 0 40 IHAB CC(=O)Nc1ccc2c(COC(=O)c3ccccc3OC[C@@H]3CCCO3)cc(=O)oc2c1 57722475 OJGDICIAWFAIPB-SFHVURJKSA-N 437.448 3.666 0 40 IHAB COc1ccccc1[C@@H](CNC(=O)C1(C(=O)Nc2ccc(F)cc2)CC1)N1CCCC1 57996962 QTYHVXXJYUAWCF-HXUWFJFHSA-N 425.504 3.506 0 40 IHAB COc1ccc2c(c1)C[C@H](C(=O)N1CCC(c3ccc(Nc4ncccn4)cn3)CC1)CO2 72374264 DHYPYCKORDJMJC-IBGZPJMESA-N 445.523 3.581 0 40 IHAB CCOC(=O)C1=NN(c2ccccc2Cl)[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]12 101142236 BOJUQTZEHLILDF-WMZOPIPTSA-N 446.290 3.599 0 40 IHAB Cc1sc(NC(=O)[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)c(C(N)=O)c1-c1ccc(C(C)C)cc1 101943748 UEFMHVVECHMYPR-ONIAQPFYSA-N 442.537 3.763 0 40 IHAB Cc1cc(N2CCN([C@@H]3CC(=O)N(c4ccc5ccccc5c4)C3=O)CC2)nc(C(C)C)n1 102835447 ALWSGGPNEVISMC-JOCHJYFZSA-N 443.551 3.516 0 40 IHAB COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)ccc1OC(=O)c1cccc(F)c1 105793581 MSIUOQKISIVSCO-MTJSOVHGSA-N 446.459 3.824 0 40 IHAB Cc1ccc(C)c(C(=O)[C@@H](C)OC(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)c1 106281861 LPVFWGDNQAMBAP-ICKUNSISSA-N 428.529 3.555 0 40 IHAB COc1ccccc1CNc1cnn([C@@]23C[C@@H]4C[C@@H](C[C@@H](C4)C2)[C@H]3C(=O)O)c(=O)c1Cl 217525899 WJOCXUOKWOQEME-JQRWPVFASA-N 443.931 3.753 0 40 IHAB COc1cccc(N(CCCC(=O)Nc2ccc(C(F)(F)F)cc2)S(C)(=O)=O)c1 222592702 GYDKUCQBUQLMTA-UHFFFAOYSA-N 430.448 3.899 0 40 IHAB CC(C)(C)c1ccc(OCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1 223661278 CLIBUEQZIYZDMV-LJQANCHMSA-N 444.597 3.580 0 40 IHAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCCc3ccc(Cl)cc3)CC2)cc1 224350574 XMWBYICNVVGWAS-UHFFFAOYSA-N 434.989 3.549 0 40 IHAB Cc1ccc(OCCNC(=O)CCCN(c2ccccc2Cl)S(C)(=O)=O)cc1C 224669580 XERZGUFXBOXADB-UHFFFAOYSA-N 438.977 3.698 0 40 IHAB CC(C)n1c(=O)sc2cc(S(=O)(=O)NCc3ccccc3CN3CCCC3)ccc21 224805318 KZLPKWWHHXASMJ-UHFFFAOYSA-N 445.610 3.718 0 40 IHAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1OC 225642681 XYUQAGKDFSSPKN-PXNSSMCTSA-N 430.520 3.935 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)N(C)c2ccc(F)cc2)Cc2ccccc2)cc1 226009441 BPIQXCBHTILQLD-UHFFFAOYSA-N 442.512 3.688 0 40 IHAB Cn1c(CNC(=O)[C@H]2C[C@H]3CC[C@@]2(C)C[C@@]32NC(=O)c3ccccc3N2)nc2ccccc21 253596257 PBQGJTUALVLNKU-KGWRLULLSA-N 443.551 3.568 0 40 IHAB O=C(c1ccccc1Cn1cccn1)N1CCOC[C@H](Cc2cccc3ccncc23)C1 257208940 BODZLSMLFJADOE-HXUWFJFHSA-N 426.520 3.811 0 40 IHAB CS(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1)Cc1ccc(Cl)c(Cl)c1 408604590 DYUKKBREMDDMBS-UHFFFAOYSA-N 435.760 3.725 0 40 IHAB CCOC(=O)C1=C(c2ccccc2)NC(=S)N[C@@H]1c1ccc(OC)c(Br)c1 408606477 HZSVIDJKZNONGM-GOSISDBHSA-N 447.354 3.951 0 40 IHAB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1)Nc1cccc(C(F)(F)F)c1 409138120 YXNJCGFELJUBES-GFCCVEGCSA-N 440.805 3.894 0 40 IHAB C[C@@H]1CN(C(=O)[C@H]2CCC(=O)c3ccccc32)CCN1C(=O)[C@H]1CCC(=O)c2ccccc21 500064725 IFXHSJSRWYHCLX-VSDWSMLSSA-N 444.531 3.566 0 40 IHAB CC[C@@H]1CN(C(=O)NCc2nc(-c3ccc(Cl)cc3)c(C)s2)CCN1C[C@@H](C)O 541444633 SAMHDUFYCHUZCF-RDTXWAMCSA-N 437.009 3.759 0 40 IHAB CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CSCc1coc(-c2ccccc2)n1 610199577 RBSYTGJYNXDCCD-NRFANRHFSA-N 448.548 3.530 0 40 IHAB Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(C(=O)c2cccc(-n3cccn3)c2)CC1 1889006681 PYVKVLMMBZQIFJ-UHFFFAOYSA-N 445.498 3.582 0 40 IHAB COc1ccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c(O)c1 2506606 QNNSINGLLJSINC-QFIPXVFZSA-N 433.460 3.935 0 40 IHAB O=C(CSc1nnc(-c2ccncc2)n1Cc1ccccc1)Nc1ccc2c(c1)OCO2 2619372 FHPARJVJRGEKNB-UHFFFAOYSA-N 445.504 3.848 0 40 IHAB COc1cc(OC)c(N(C)S(=O)(=O)c2cccc(C(=O)NC(C)(C)C)c2)cc1Cl 2621344 OLNAIPXIQWITLZ-UHFFFAOYSA-N 440.949 3.711 0 40 IHAB O=C(c1cccc(N2C(=O)c3ccccc3C2=O)c1)N1CCN(c2ccccc2F)CC1 3323084 LPEXWYYHHIQXNW-UHFFFAOYSA-N 429.451 3.589 0 40 IHAB CCOC(=O)[C@@H](C(C)=O)C(c1ccc(OCCC(C)C)cc1)[C@H](C(C)=O)C(=O)OCC 5220314 ACWPHFJHVAZJCZ-SFTDATJTSA-N 434.529 3.732 0 40 IHAB biogenic COc1cccc(C(=O)NC(=S)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)c1 6297720 KXCYGURACKEZPG-UHFFFAOYSA-N 431.473 3.623 0 40 IHAB Cc1ccccc1C(=O)Nc1cccc(C(=O)OCc2cc(=O)n3c(C)csc3n2)c1 8606957 MHMDEPHYHBJIIP-UHFFFAOYSA-N 433.489 3.982 0 40 IHAB Cc1ccc(-n2c(S[C@@H](C)C(=O)Nc3c(C)nn(C)c3C)nnc2N2CCCC2)cc1 8721215 DENQTZYNBNFXJT-KRWDZBQOSA-N 439.589 3.646 0 40 IHAB COc1cc(/C=C/C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)ccc1OCC(N)=O 8748028 KTOKGUBSWYSYIA-QXLXQBSBSA-N 437.521 3.546 0 40 IHAB NC(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)c(F)c2)cc1 8810421 MSZOFUUYVILXMP-UHFFFAOYSA-N 447.875 3.631 0 40 IHAB COc1cccc(CNC(=O)Cc2csc(SCC(=O)Nc3ccc(F)cc3)n2)c1 8852130 SHEPYNADQVZHKO-UHFFFAOYSA-N 445.541 3.881 0 40 IHAB COc1ccc(-c2nnc(Nc3ccc(N4CCOCC4)cc3)[nH]2)cc1Br 8928346 PVLVLZTYMXBCIS-UHFFFAOYSA-N 430.306 3.823 0 40 IHAB COc1cc(-c2nnc3sc(-c4cncc(Br)c4)nn23)cc(OC)c1OC 8991680 IAEDAQRBQNPZPB-UHFFFAOYSA-N 448.302 3.703 0 40 IHAB COC(=O)c1c(NC(=O)NCCc2ccc(OC)c(OC)c2)sc2c1CC(C)(C)OC2 9186413 DWFJWQVKFOWZNA-UHFFFAOYSA-N 448.541 3.767 0 40 IHAB Nn1c(SCC(=O)Nc2ccccc2F)nnc1-c1cc(-c2ccc(Cl)cc2)n[nH]1 9187631 SCBYYYDDAZVTDV-UHFFFAOYSA-N 443.895 3.572 0 40 IHAB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)CC(=O)c1ccc(N2CCCC2=O)cc1 9349187 ZJLPZXNGQFHUAV-UHFFFAOYSA-N 447.457 3.764 0 40 IHAB Cc1cc(NC(=O)CSc2nnc(-c3ccncc3)n2C2CC2)n(-c2ccccc2)n1 9516399 OIHQFLVZVQQHEB-UHFFFAOYSA-N 431.525 3.900 0 40 IHAB COc1ccc(N2CCn3c(SCC(=O)Nc4nc5ccccc5s4)nnc32)cc1 9574048 NHJLORXGJFFGOX-UHFFFAOYSA-N 438.538 3.779 0 40 IHAB C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NCCCSc2ccccc2)C1=O 9593721 DNLAVHGLLDIRQN-VWLOTQADSA-N 447.560 3.905 0 40 IHAB COc1ccccc1-n1nnnc1SCC(=O)N[C@H](c1ccccc1)c1cccs1 9663168 DDRYJIQLFBHYHG-HXUWFJFHSA-N 437.550 3.730 0 40 IHAB CCS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(OC)cc3OC)cs2)cc1 9707767 GZIQVTSQSXAPNC-UHFFFAOYSA-N 432.523 3.873 0 40 IHAB Cn1c(=O)n(CCCc2ccccc2)c(=O)c2c1nc1oc(-c3ccc(Cl)cc3)cn12 9789779 ZXFQJRYPLOJLMH-UHFFFAOYSA-N 434.883 3.894 0 40 IHAB Cc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(O)n2)cc1 9969927 VNGWKGDYQXLRLA-UHFFFAOYSA-N 449.941 3.708 0 40 IHAB O=C(Nc1nc(CCC(=O)N2CCN(c3ccccc3)CC2)cs1)c1ccc(F)cc1 11796748 QSUJGBWYMWTCOU-UHFFFAOYSA-N 438.528 3.816 0 40 IHAB COc1ccccc1CCC(=O)N1CCN(C(=O)CCCc2c[nH]c3ccccc23)CC1 12323240 ZFDHJZYKCHTQMH-UHFFFAOYSA-N 433.552 3.803 0 40 IHAB COc1cccc(/C=C/C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)c1OC(F)F 12559472 HXXHAIAVYUZYQM-DHZHZOJOSA-N 427.407 3.913 0 40 IHAB COc1ccc(NC(=O)COc2ccc(C)c(C)c2)cc1S(=O)(=O)N1CCCCC1 12866992 YYDMMZLWRYIPLV-UHFFFAOYSA-N 432.542 3.504 0 40 IHAB CCOc1ccc(NC(=O)CSc2nc3ccccc3n2CC(=O)N2CCCC2)cc1 12882202 IOUSUAWLUDDXBR-UHFFFAOYSA-N 438.553 3.788 0 40 IHAB COc1cc2oc(=O)c(CC(=O)N[C@@H](C)Cc3c[nH]c4ccccc34)c(C)c2cc1OC 12901244 KELWFJIPKIUZKG-AWEZNQCLSA-N 434.492 3.890 0 40 IHAB biogenic COCCOC(=O)c1sc2nc(CN[C@H](C)c3ccccc3Cl)[nH]c(=O)c2c1C 13040152 VXPDQRZRVTXODN-GFCCVEGCSA-N 435.933 3.600 0 40 IHAB O=C(N[C@H]1CCSc2ccccc21)c1ccc(S(=O)(=O)NCc2ccco2)cc1 13109619 XKVXHSHNUYGBTO-IBGZPJMESA-N 428.535 3.725 0 40 IHAB CN(C)CCCNC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 13595977 UGIGBJSSRWVEEC-QFIPXVFZSA-N 431.989 3.796 0 40 IHAB COc1ccccc1N(CC(=O)NCc1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 13669800 AJBMEHHGVHMPMT-UHFFFAOYSA-N 438.549 3.824 0 40 IHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](CC)N(c1ccc(F)cc1)S(C)(=O)=O 13686429 LJNOSUNARIPFQJ-YWZLYKJASA-N 449.548 3.537 0 40 IHAB O=C(Cn1c(=O)n2nc(-c3cccnc3)nc2c2c3c(sc21)CCC3)c1ccccc1 13725827 KBHUNWJYUYNHLI-UHFFFAOYSA-N 427.489 3.539 0 40 IHAB COCCn1c(SCC(=O)c2cc(OC)ccc2OC)nc2sc(C)c(C)c2c1=O 14067042 LCYPWYXYCMYJSJ-UHFFFAOYSA-N 448.566 3.713 0 40 IHAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CCN(Cc2nc3ccccc3s2)CC1 14086653 WYJSVQSGZPUGKX-JOCHJYFZSA-N 446.576 3.905 0 40 IHAB CCN1CCN(c2ccc(NC(=S)NC(=O)COc3ccccc3C)cc2Cl)CC1 14271851 GIYTUICEVYJFDX-UHFFFAOYSA-N 447.004 3.682 0 40 IHAB CCCCc1nn2c(=O)cc(COC(=O)c3cccc(NC(=O)CC(C)C)c3)nc2s1 15771915 SWHVVYNCYWRUIY-UHFFFAOYSA-N 442.541 3.835 0 40 IHAB Cc1cc(C)n(CC(=O)NCc2ccc(F)cc2)c(=O)c1-c1nc(-c2ccccc2)no1 16840334 KSADQHDAIVODSV-UHFFFAOYSA-N 432.455 3.638 0 40 IHAB O=C(CN1C(=O)COc2ccccc21)NCc1cn(-c2ccccc2)nc1-c1ccccc1 18110745 LUKUBTFTVTYKFY-UHFFFAOYSA-N 438.487 3.581 0 40 IHAB COc1ccc(C2(NC(=O)Cn3nc(C)n4c(cc5ccsc54)c3=O)CCCC2)cc1 19288302 XFTPFILLDYWORQ-UHFFFAOYSA-N 436.537 3.613 0 40 IHAB CC(C)NC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CN(C(=O)c2ccccn2)CCO1 19449714 NXJAYMDGGBFHDZ-MHZLTWQESA-N 443.547 3.727 0 40 IHAB CCN(CC)C[C@H]1CCCN(C(=O)c2cc(-c3ccccn3)c(N3CCOCC3)s2)C1 19526352 CRLDONAKTGYCMS-LJQANCHMSA-N 442.629 3.841 0 40 IHAB COc1ccc([C@H]2CN(S(C)(=O)=O)[C@@H]3CCN(Cc4cccc(Cl)c4)C[C@H]23)cc1 19557715 YBZMSAHALODYCF-YPAWHYETSA-N 434.989 3.598 0 40 IHAB CCn1cncc1C(=O)N1CCc2nc(-c3cccnc3)nc(Nc3ccc(F)cc3)c2C1 19578451 WSVKBRFWCOJBOS-UHFFFAOYSA-N 443.486 3.836 0 40 IHAB COc1ccccc1-c1ccc(C[C@]2(C(=O)N(C)C)CCN(C(=O)c3ccccn3)C2)cc1 19580203 GMQOXFHJIBIPQS-HHHXNRCGSA-N 443.547 3.920 0 40 IHAB COc1cccc(CCN2C(=O)CCc3c(C)nc(CN(C)C(=O)c4ccccc4)nc32)c1 19698639 WFVIJDJAKBOXQL-UHFFFAOYSA-N 444.535 3.588 0 40 IHAB CC1CCN(CCC(=O)N2CCC(c3ccc(C(=O)NC4CCCC4)cn3)CC2)CC1 19705777 TXECNWGFNDSWEB-UHFFFAOYSA-N 426.605 3.582 0 40 IHAB CNc1nc([C@H]2CCCNC2)nc2c1CCN(C(=O)C1(Oc3ccccc3)CCCCC1)C2 19708540 RZECVEHSIDKPGE-IBGZPJMESA-N 449.599 3.652 0 40 IHAB CCCCC(=O)Nc1nnc(SCc2cc(=O)n3c4c(sc3n2)CCCC4)s1 20984463 NFZIBDKOLJEYJT-UHFFFAOYSA-N 435.600 3.907 0 40 IHAB Cc1ccc(N(CC(=O)NCCCc2cccc(OC(C)C)c2)S(C)(=O)=O)c(C)c1 22328218 UIRVETMVQYHSLP-UHFFFAOYSA-N 432.586 3.606 0 40 IHAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 22331059 GYXIMFGQKRDSQS-SFHVURJKSA-N 436.961 3.833 0 40 IHAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2Cl)CC1 22525802 XYWUNSKFSKVZOP-UHFFFAOYSA-N 442.368 3.636 0 40 IHAB COc1ccc(OC)c(CN2CCN(C(=O)CCC(=O)c3ccc(Cl)s3)CC2)c1 23424357 ASBLJADRPJPFOH-UHFFFAOYSA-N 436.961 3.726 0 40 IHAB COc1cccc(NC(=O)CN(C)C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)c1 24592304 RONHYFZCIWCOJE-UHFFFAOYSA-N 446.429 3.919 0 40 IHAB COc1ccc(C(=O)N(Cc2ccc(Cl)cc2Cl)[C@H]2CCS(=O)(=O)C2)cc1 27743209 KRKOTOOUKZNYEO-INIZCTEOSA-N 428.337 3.832 0 40 IHAB COc1ccc([C@H](CNC(=O)c2cnn(-c3ccccc3)c2C2CC2)N2CCOCC2)cc1 30522240 HZVICQUAESDHKG-DEOSSOPVSA-N 446.551 3.562 0 40 IHAB O=C(Nc1ccc(N2CCCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 31477899 NMYXDGZPGNXBCS-KRWDZBQOSA-N 447.988 3.980 0 40 IHAB CC1CCC(N(C)C(=O)c2cc(S(=O)(=O)NC(C)C)ccc2Br)CC1 32902616 VRYKYNYVPVZDBW-UHFFFAOYSA-N 431.396 3.787 0 40 IHAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCCC3)C2=O)cc(Cl)c1O 33652914 OZYZAOVHOHQFRV-WJDWOHSUSA-N 438.933 3.883 0 40 IHAB COc1ccc(OC)c(NC(=O)[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c1 33654281 GNAQZNAVPNXKKV-LJQANCHMSA-N 430.501 3.752 0 40 IHAB COC(=O)[C@@H](C)N(Cc1cnc2ccc(Cl)cn12)Cc1cnc2ccc(Cl)cn12 36383388 VKEJOZKTSSZVCH-CYBMUJFWSA-N 432.311 3.853 0 40 IHAB COc1ccc(-c2cc(C(=O)N3CCN(Cc4ccccc4)CC3)c3cnn(C)c3n2)cc1 36613253 JSZDWMZYLHLHEW-UHFFFAOYSA-N 441.535 3.602 0 40 IHAB CCn1ncc([C@@H](C)NC(=O)c2cc(-c3ccc(OC)cc3)nc3c2c(C)nn3C)c1C 36613307 WTITYQWJNRHQCP-CQSZACIVSA-N 432.528 3.968 0 40 IHAB Cc1nc(COc2cccc(C(=O)Nc3nc(CN4CCOCC4)cs3)c2)cs1 40012204 FBDVQZLKSPVOQG-UHFFFAOYSA-N 430.555 3.572 0 40 IHAB CCN1CCN(c2ccccc2NC(=O)CCCNC(=O)c2ccc(Cl)cc2)CC1 40162204 BQMVMRSIEYZYJD-UHFFFAOYSA-N 428.964 3.631 0 40 IHAB O=C(c1ccccc1Cl)N1CCN(c2ccc(-c3noc(C(F)(F)F)n3)cn2)CC1 44097033 PORYGIXYNJVNRE-UHFFFAOYSA-N 437.809 3.766 0 40 IHAB CCc1ccccc1NC(=O)Cn1cc(C(=O)N2CCC(C)CC2)c(=O)c2ccc(C)nc21 49002234 CGICEUYXWCLJRO-UHFFFAOYSA-N 446.551 3.778 0 40 IHAB COc1ccc(-c2noc(C3CCN(CC(=O)Nc4cc(C)ccc4OC)CC3)n2)cc1 49403465 MATONUURCQKUPM-UHFFFAOYSA-N 436.512 3.880 0 40 IHAB Cc1cc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc4c(c3)CCC4)c2=O)ccc1F 57494680 ZEATVARPVLBNSN-UHFFFAOYSA-N 449.507 3.789 0 40 IHAB C[C@@H]1CCC[C@@H](N(CC(=O)Nc2ccc(C(N)=O)cc2)Cc2ccc3c(c2)OCO3)[C@@H]1C 58192821 ZFEVUIHAYNXJLX-CBGDNZLLSA-N 437.540 3.780 0 40 IHAB CCCn1c(=O)sc2cc(S(=O)(=O)N3CCN(c4cccc(C)c4C)CC3)ccc21 64946811 SIOHNMIVWBXTRZ-UHFFFAOYSA-N 445.610 3.601 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CN2C(=O)C(c3ccccc3)=NC23CCCCC3)cc1 71327952 USNSEWBFVRBQIZ-UHFFFAOYSA-N 433.508 3.794 0 40 IHAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1c1nc(N)ncc1-c1ccc(Cl)cc1 72354923 ZLRMUJLSDRXUNU-INIZCTEOSA-N 433.921 3.510 0 40 IHAB COC(=O)c1nc(NC(=O)Cc2ccc3c(c2)OCCCO3)sc1Cc1ccccc1 72403488 VJESGESMFJFBJR-UHFFFAOYSA-N 438.505 3.863 0 40 IHAB CN1CCN(CCCNC(=O)Cc2csc(Cc3ccccc3)n2)[C@H](c2ccccc2)C1 89382536 BEKKUGUYAPNIGN-DEOSSOPVSA-N 448.636 3.771 0 40 IHAB CC(C)(C)c1cc(C(=O)CSc2nnc(CCC(=O)O)c(O)n2)cc(C(C)(C)C)c1O 95471937 CBPIVQOXXDHBSF-UHFFFAOYSA-N 447.557 3.870 0 40 IHAB CC(C)N1CCN(C(=O)c2cc3c(c4ccccc4n3CC3CC3)n2-c2ncccn2)CC1 96037452 RPSXQFTXXVBFNW-UHFFFAOYSA-N 442.567 3.951 0 40 IHAB CC(C)CN1[C@H]2CCN(Cc3ccccc3F)CC[C@@H]2Oc2ccccc2S1(=O)=O 96145762 LNCUJVRLCREUKX-SFTDATJTSA-N 432.561 3.898 0 40 IHAB C[C@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccc(I)cc2)CC1=O 96589746 XVORCDLWUKIMGR-HIFRSBDPSA-N 434.277 3.839 0 40 IHAB CCOC(=O)[C@H]1C[C@H]2C(Cl)=C[C@@]13[C@@H]1Cc4ccc(OC)c5c4[C@@]3(CCN1C)[C@]2(C)O5 100393667 QFJCSTJNJZNCPB-BTJRHIESSA-N 429.944 3.666 0 40 IHAB biogenic,in-vitro O=C(CSc1nc2ccccc2s1)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 109069691 BZJWQUOOALCTGW-MSOLQXFVSA-N 437.590 3.863 0 40 IHAB Cc1ccc(NC(=O)COc2ccc(/C=c3/sc4nc5ccccc5n4c3=O)cc2)cc1 197791609 SHNKHFOLQRABNA-HYARGMPZSA-N 441.512 3.783 0 40 IHAB CCOc1ccc([C@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)cc1 216367640 NCDQGLSNYKRBQN-KRWDZBQOSA-N 448.560 3.644 0 40 IHAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCS[C@@H](c3cc(F)ccc3F)CC2)cc1 219317978 SZBKLGSHPBTAQG-LJQANCHMSA-N 440.537 3.536 0 40 IHAB CC[C@@H](C(=O)Nc1ccc(C(=O)OC)cc1)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O 220728901 SUNGTBHBRSMGKR-SFHVURJKSA-N 438.933 3.618 0 40 IHAB CC[C@@H](C(=O)Nc1cccc(C(C)=O)c1)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 222495027 ZPHLLYNXOHZQCV-KRWDZBQOSA-N 438.933 3.735 0 40 IHAB CCOC(=O)c1cccc(NC(=O)CCCN(c2cccc(C)c2C)S(C)(=O)=O)c1C 222636054 NOJXVBVGTWLQCW-UHFFFAOYSA-N 446.569 3.973 0 40 IHAB CS(=O)(=O)N(CCCC(=O)Nc1cccc(Br)c1)c1ccccc1F 222650346 AQMGOPIXQFFIQE-UHFFFAOYSA-N 429.311 3.773 0 40 IHAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2Cc2cccnc2)N1Cc1ccncc1 223490176 SFLZABSGZJIEGT-GOTSBHOMSA-N 426.549 3.894 0 40 IHAB Cc1cc(C)c(N(CC(=O)NCCOc2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c(C)c1 223648580 IPQZERNSQPDKHQ-UHFFFAOYSA-N 446.613 3.871 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)NCCOc2cccc(C)c2)cc1 223866136 LCKKCKGXWBFMEP-UHFFFAOYSA-N 438.549 3.937 0 40 IHAB O=C(NCCOc1ccccc1Cl)c1ccccc1NS(=O)(=O)c1ccccc1 223931883 PMPJKBMSNMJWIX-UHFFFAOYSA-N 430.913 3.950 0 40 IHAB COC(=O)CSc1nnc(NC(=O)CSCc2ccc(Cl)cc2Cl)s1 224172569 IYONXVFLJKTMTQ-UHFFFAOYSA-N 438.383 3.982 0 40 IHAB CC[C@@H](C(=O)NCCOc1ccc(C)c(Cl)c1)N(c1cccc(C)c1)S(C)(=O)=O 224175851 DKWOVTVCOGNXJQ-FQEVSTJZSA-N 438.977 3.697 0 40 IHAB CC[C@H](C(=O)NCCOc1ccc(Cl)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 224312166 LRSJEVDJPPBNBD-HXUWFJFHSA-N 438.977 3.697 0 40 IHAB CCOc1ccc(NC(=S)N2CCN(Cc3cc(OC)c(OC)c(OC)c3)CC2)cc1 225224766 JWYUAHRGXRBIDQ-UHFFFAOYSA-N 445.585 3.626 0 40 IHAB CC[C@@H](NC(=O)CN(c1ccc(OC(C)C)cc1)S(C)(=O)=O)c1ccc(OC)c(C)c1 225800793 KABUCDFBKWAQFL-OAQYLSRUSA-N 448.585 3.824 0 40 IHAB Cc1nc([C@@H]2CCN(C(=O)C3CCCC3)C2)nc2c1CCC(=O)N2CCc1ccccc1 257216364 CUFMABVZJRVQOM-OAQYLSRUSA-N 432.568 3.813 0 40 IHAB O=C1CCCN1Cc1cccc(C(=O)N2CCC[C@@H]2c2nc(Cc3ccc(F)cc3)n[nH]2)c1 257239077 HNWDFTBSGZPADJ-OAQYLSRUSA-N 447.514 3.634 0 40 IHAB COCc1ccc(C(=O)N2CCO[C@@H](c3ccc(Nc4nc(C)cc(C)n4)cn3)C2)cc1 257292058 QJUDHKGDESMNGQ-JOCHJYFZSA-N 433.512 3.592 0 40 IHAB Cc1cccc(Nc2cncc(C3CCN(C(=O)[C@H]4CC(=O)OC45CCCCC5)CC3)n2)n1 257338544 YXWXRYJJPSWLJG-LJQANCHMSA-N 449.555 3.896 0 40 IHAB CCc1ccc(N(CCCC(=O)N[C@H](C)COc2ccc(C)cc2)S(C)(=O)=O)cc1 260512969 YXLQTMIWYQTQAZ-LJQANCHMSA-N 432.586 3.687 0 40 IHAB Cc1cc(C)cc(N([C@H](C)C(=O)NCCOc2ccc3ccccc3c2)S(C)(=O)=O)c1 260943148 UJOAVBSBFBSMGV-LJQANCHMSA-N 440.565 3.806 0 40 IHAB CC(C)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1 408587578 FBXDRYYYLUZZET-ZDUSSCGKSA-N 441.347 3.542 0 40 IHAB Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)c2)c(C)c1 408651338 ATVTUQAETMLYJB-WOJBJXKFSA-N 434.492 3.779 0 40 IHAB CCOC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)Nc2cccc(Cl)c2)cc1 408669037 VUHYWVCEIJJXFK-UHFFFAOYSA-N 446.887 3.807 0 40 IHAB COc1cccc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)c1O[C@@H](C)C(=O)O 409224731 ITZGLQITSHOYAK-NJPLLEPOSA-N 431.441 3.923 0 40 IHAB CC[C@H]1C[C@@H](C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)CC(=O)N1 541703564 BWLIIWMUKAKGQF-ZBFHGGJFSA-N 449.960 3.693 0 40 IHAB O=C(NC[C@H]1CC[C@H]2CN(C(=O)c3cccnc3)c3ccccc3CN21)c1cccc(F)c1 585110133 MYYAQBIWSDULEG-PKTZIBPZSA-N 444.510 3.644 0 40 IHAB CCN1CCN(C(=O)CCCn2ccnc2C)[C@@H](Cc2ccc(-c3ccccc3)cc2)C1=O 585168865 SVEFJUHVJUCZOR-VWLOTQADSA-N 444.579 3.941 0 40 IHAB CCCN1CCN(C(=O)c2cnccn2)[C@@H](Cc2ccccc2-c2ccc(F)cc2)C1=O 585169052 XLZKQZWKWJEXGI-QHCPKHFHSA-N 432.499 3.588 0 40 IHAB CCN1CCN(Cc2ccc(C(=O)O)cc2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O 585183609 MZWYLZZPZYOPCW-DEOSSOPVSA-N 443.547 3.970 0 40 IHAB COc1ccc(C(=O)N[C@@H](C(=O)N[C@@H]2COc3c(C)cccc3C2)c2ccccc2)cc1 1160626550 FUIVXYAFBXLZOC-JTHBVZDNSA-N 430.504 3.595 0 40 IHAB CC[C@H]1Oc2ccc(C(=O)n3nc(C)cc3C)cc2N(CC(=O)c2ccc(C)cc2)C1=O 1328665 KSDFMANGCSHPDZ-JOCHJYFZSA-N 431.492 3.884 0 40 IHAB Cc1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(CC(C)C)C3=O)cc1Cl 1790945 AXOBTBMVXPWXJH-UHFFFAOYSA-N 428.872 3.696 0 40 IHAB Cc1ccc2c(COC(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)cc(=O)oc2c1 3511438 JFGPUZFCFYYBBL-UHFFFAOYSA-N 441.505 3.633 0 40 IHAB COc1ccc(-c2nnc(CSc3nc4sc5c(c4c(=O)[nH]3)CCC5)o2)cc1OC 6282479 SYXUPZSNGTVOBB-UHFFFAOYSA-N 442.522 3.833 0 40 IHAB COC(=O)c1ccc(N2CCOCC2)c(NC(=O)COc2cc(C)ccc2C(C)C)c1 7389251 GTHLFDBQDLLDCW-UHFFFAOYSA-N 426.513 3.759 0 40 IHAB CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1nnc(NC(=O)c2ccccc2C)s1 8588119 ASQWRZVJVAUTPX-UHFFFAOYSA-N 430.555 3.931 0 40 IHAB aggregator O=C(Cn1c(=O)nc(-c2ccccc2)c2ccccc21)N1CCN(c2ccc(F)cc2)CC1 8609048 DKDMLHPIOKFUMW-UHFFFAOYSA-N 442.494 3.551 0 40 IHAB Cc1nn(S(=O)(=O)c2ccc(C(C)C)cc2)c(C)c1S(=O)(=O)N(C)c1ccccc1 8755111 PXVJFBXYJDJRGQ-UHFFFAOYSA-N 447.582 3.685 0 40 IHAB O=C(CNc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)N1CCCc2ccccc21 9119399 GNMQQQGZVZZZOI-UHFFFAOYSA-N 447.988 3.906 0 40 IHAB CC(C)c1nnc(NC(=O)c2ccccc2NC(=O)COc2ccc3c(c2)OCO3)s1 9191231 PBWOFGAHYOEJNY-UHFFFAOYSA-N 440.481 3.660 0 40 IHAB COc1ccc(C)cc1-n1nnnc1SCC(=O)c1cc(C)n(-c2nccs2)c1C 9244985 XSUMQGGGDTVJRQ-UHFFFAOYSA-N 440.554 3.818 0 40 IHAB CCCn1c(SCc2nc3cc(C(=O)OC)ccc3c(=O)[nH]2)nnc1-c1cccc(C)c1 9255111 UUSJDKNKODQIIP-UHFFFAOYSA-N 449.536 3.979 0 40 IHAB CCc1cc2c(=O)n(CCCOC)c(SCC(=O)N3CCc4ccccc43)nc2s1 9360216 DHHRVBNASSLOPZ-UHFFFAOYSA-N 443.594 3.738 0 40 IHAB Cc1ccc(NC(=O)C(=O)NCCc2csc3nc(-c4ccc(F)cc4)nn23)c(C)c1 9569010 VPJDBFKXEMNZSS-UHFFFAOYSA-N 437.500 3.511 0 40 IHAB Cc1ccc(Cn2c(=O)n(CCCCC(=O)NC3CCCC3)c(=O)c3ccccc32)cc1 9616909 HHZWGZZRNVASIQ-UHFFFAOYSA-N 433.552 3.749 0 40 IHAB COc1ccc(C(=O)Nc2nc(CC(=O)N3CCc4ccccc4C3)cs2)cc1OC 9628089 QHKRNKAXPHFXRE-UHFFFAOYSA-N 437.521 3.540 0 40 IHAB COc1ccc(Cc2nnc(SCC(=O)NCc3ccc(C)cc3)n2-n2cccc2)cc1 9738131 RBQJEVIFAKHYIJ-UHFFFAOYSA-N 447.564 3.707 0 40 IHAB COc1ccc(Cn2nnnc2SCC(=O)N2CC[C@@H](C)Sc3ccccc32)cc1 9783371 VILZFGSEQXDKOZ-OAHLLOKOSA-N 441.582 3.740 0 40 IHAB COc1ccc(S(=O)(=O)NCCCc2cccc(C)c2)cc1C(=O)N1CCCCCC1 10110789 XOLVUXRHWZXJCT-UHFFFAOYSA-N 444.597 3.931 0 40 IHAB Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)COc2ccc(C)c3c2C(=O)C[C@H]3C)c1C 11052923 VWGCZRDVNVBEOE-OAHLLOKOSA-N 444.553 3.570 0 40 IHAB C[C@@H](Sc1nncn1CCc1cccs1)C(=O)N1c2ccccc2NC(=O)C1(C)C 11107444 DSLOHFXPOBPFHU-CQSZACIVSA-N 441.582 3.827 0 40 IHAB O=C(Cn1c(-c2ccc(Cl)cc2)n[nH]c1=S)NCCCn1cnc2ccccc21 12491242 KUESJQPWPBJYEK-UHFFFAOYSA-N 426.933 3.817 0 40 IHAB O=S(=O)(Nc1ccc2nc(N3CCOCC3)sc2c1)C1=Cc2ccccc2CC1 12507896 WHGLIOBGPOWDKD-UHFFFAOYSA-N 427.551 3.862 0 40 IHAB CNC(=O)NC(=O)[C@H](C)Sc1cc(-c2ccccc2)c2c(OC)cc(OC)cc2n1 12814270 OVMNEWNLOPXMPB-ZDUSSCGKSA-N 425.510 3.855 0 40 IHAB COc1ccc(CNC(=O)[C@H](c2sccc2C)N(C(=O)c2csnn2)C2CC2)cc1 12873226 XWCOTTRJTBWWMV-SFHVURJKSA-N 442.566 3.579 0 40 IHAB COc1ccc(CN(C)C(=O)COc2ccccc2C(=O)NCc2ccccc2)cc1F 12876548 BBKFUQNUISWHMW-UHFFFAOYSA-N 436.483 3.802 0 40 IHAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccc(I)cc1 13012079 ZQKYUQZEIMRRHG-CYBMUJFWSA-N 432.265 3.705 0 40 IHAB Cc1ccc(NC(=O)Cn2cnc3c(cnn3-c3cccc(C(F)(F)F)c3)c2=O)cc1 13013394 KJIYRAYZCLGYNU-UHFFFAOYSA-N 427.386 3.548 0 40 IHAB CCCCN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NCc1ccco1)c1ccccc1 13502507 WTWNASOVZRBONO-DEOSSOPVSA-N 445.523 3.711 0 40 IHAB CCCCN(C(=O)CNC(=O)c1cccs1)[C@H](C(=O)NC1CCCC1)c1cccs1 13506116 XITLTBOPSFTGLY-FQEVSTJZSA-N 447.626 3.968 0 40 IHAB O=c1[nH]c2c(Br)c(Br)c(Br)c(Br)c2[nH]1 13585914 BMVNFJCUHHTZQU-UHFFFAOYSA-N 449.722 3.906 0 40 IHAB in-vitro CCOc1ccc(/C=c2\sc3nc(-c4ccccc4Cl)nn3c2=O)cc1OCC 13618994 PZDCFHDNHGKERC-PDGQHHTCSA-N 427.913 3.817 0 40 IHAB Cc1ccc(-c2ccc(=O)n(CCCNC(=O)COc3cccc(C(F)(F)F)c3)n2)cc1 13801153 UYGOBXFGAHHFEN-UHFFFAOYSA-N 445.441 3.823 0 40 IHAB COc1ccc(CCC(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccc(C)cc4)C3)s2)cc1 13944631 BZURLQYUWMFHMA-QGZVFWFLSA-N 436.537 3.947 0 40 IHAB CN(CC(=O)Nc1ccccc1C(=O)NC1CCCC1)Cc1cnn(Cc2ccccc2)c1 14240924 XEBVWEJWOUGTIK-UHFFFAOYSA-N 445.567 3.674 0 40 IHAB Cc1cc(CNC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccco2)cc(C)c1O 16046111 OFSLGJDRQXUTJF-UHFFFAOYSA-N 449.532 3.769 0 40 IHAB CC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)CC1 17102710 MFZLSELAYHHNEB-UHFFFAOYSA-N 438.597 3.779 0 40 IHAB CC(C)(C)C(=O)N1CCC[C@@H](c2cc(=O)[nH]c(C3CCN(Cc4ccsc4)CC3)n2)C1 19081220 BWSMLZPONQKOOP-LJQANCHMSA-N 442.629 3.963 0 40 IHAB COC(=O)[C@@]1(c2ccccc2)N[C@H](c2ccccc2C)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 19237023 SVOQZGUANHTOFH-IDIXZGLXSA-N 440.499 3.514 0 40 IHAB CCCN1CCN(C(=O)c2ccnn2C)C[C@H](Cc2ccccc2-c2cccs2)C1=O 19503320 STKHEKKZNJLJPV-IBGZPJMESA-N 436.581 3.702 0 40 IHAB Cc1cc(C)nc(NCCC(=O)N2CCO[C@H](c3ccc(-c4ccccc4F)cn3)C2)n1 19693495 FKKDCGBGMYHAAE-QFIPXVFZSA-N 435.503 3.697 0 40 IHAB Cc1nc([C@H]2CCCCN2C(=O)c2n[nH]c3c2CCCC3)nc2c1CCCN2CC1CC1 19706109 ANAZNGNAQZYQBE-OAQYLSRUSA-N 434.588 3.917 0 40 IHAB COc1ccc(C(=O)N2CCCC[C@H]2c2ncc(C(=O)Nc3ccccc3F)c(C)n2)cn1 19764754 TWRQROXTYNHBBO-FQEVSTJZSA-N 449.486 3.947 0 40 IHAB CCn1c(CN(c2ccc(C)cc2)S(C)(=O)=O)nnc1SCC(=O)c1ccccc1 19925988 NKWFAXXKXNGIAT-UHFFFAOYSA-N 444.582 3.548 0 40 IHAB COc1ccc(N([C@@H](C)C(=O)N[C@@H]2CCCc3ccccc32)S(C)(=O)=O)cc1Cl 20108870 YGCNIHKUEZPECZ-IFXJQAMLSA-N 436.961 3.697 0 40 IHAB C[C@@H](NC(=O)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1)c1ccc(F)cc1 20460084 LFYQAMIUVZWLGB-GOSISDBHSA-N 432.561 3.678 0 40 IHAB COC(=O)[C@H](CC(C)C)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(Cl)c1Cl 20714510 AAVUWMPENOWAJX-YJBOKZPZSA-N 439.343 3.961 0 40 IHAB CCCS(=O)(=O)N1CCCc2cc(NC(=O)Nc3cc(OC)cc(OC)c3)ccc21 22505374 LLEHDINQPUGRSE-UHFFFAOYSA-N 433.530 3.840 0 40 IHAB O=C(Nc1ccc(F)cc1F)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 23130868 CHJMFLBWDWGDOR-UHFFFAOYSA-N 434.508 3.883 0 40 IHAB CN(C)c1ccc(NC(=O)Cc2cc(=O)[nH]c(SCc3cccc(Cl)c3)n2)cc1 23242899 VPLDVMRXBIOSCY-UHFFFAOYSA-N 428.945 3.963 0 40 IHAB O=C(c1ccc(-n2cnc3ccccc32)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 23967800 PVYMLXUQMXYBFV-UHFFFAOYSA-N 440.503 3.712 0 40 IHAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3ccc(S(=O)(=O)N(C)C(C)C)cc3)c12 26016515 SYMGQTYFFYSAIU-UHFFFAOYSA-N 443.573 3.681 0 40 IHAB COc1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)c2ccccc2)c1 28206618 LLVLQVVEOLUJKX-UHFFFAOYSA-N 438.505 3.708 0 40 IHAB CCOC(=O)c1sc(-c2ccc3c(c2)OCCO3)cc1NC(=O)c1cnc(C)cn1 32837318 ZYZPPMHTWLKFLG-UHFFFAOYSA-N 425.466 3.714 0 40 IHAB COCCn1c(S[C@@H]2CCCCNC2=O)nc2scc(-c3ccc(F)cc3)c2c1=O 32871625 HJXIHIAXEGDMCR-MRXNPFEDSA-N 447.557 3.671 0 40 IHAB COc1c(C(N)=O)cn(C)c1-c1nc2cc(NC(=O)c3ccccc3Cl)ccc2n1C 36369825 UNCJIVPKRIXNHO-UHFFFAOYSA-N 437.887 3.592 0 40 IHAB biogenic CS(=O)(=O)Cc1nc2ccccc2n1C[C@H](O)Cn1c2ccccc2c2ccccc21 40051445 BOAJFWDAZKSAND-QGZVFWFLSA-N 433.533 3.750 0 40 IHAB CC(C)c1nccn1Cc1cccc(NC(=O)NCc2ccnc(N3CCOCC3)c2)c1 40145428 ZGVCZYHDALDWGY-UHFFFAOYSA-N 434.544 3.608 0 40 IHAB COc1ccc(C(=O)Nn2ccc3c(cnc4c(-c5ccc(Cl)cc5)cnn43)c2=O)cc1 40397355 MWZLWGWWGGPPOP-UHFFFAOYSA-N 445.866 3.757 0 40 IHAB CCc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)Nc1ccc(C)cc1 44803359 MRGIHPXFERXCFL-UHFFFAOYSA-N 437.565 3.998 0 40 IHAB C[C@H]1CN(c2ccc(NC(=O)N(C)Cc3cnn(Cc4ccccc4)c3)cn2)C[C@@H](C)O1 48252541 AOFZPKMJWZSDCW-KDURUIRLSA-N 434.544 3.604 0 40 IHAB C[C@H](CN1CCCC1=O)NC(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F 48278086 UREYPSGAYCOZBB-GFCCVEGCSA-N 438.406 3.683 0 40 IHAB Cc1ccccc1-n1c(=O)c2sccc2n(CC(=O)N(C)c2cccc(Cl)c2)c1=O 57489868 QLUYTLZMTQHRAH-UHFFFAOYSA-N 439.924 3.839 0 40 IHAB C[C@@H]1CN(C(=O)C2CCN(C(=O)Nc3cccnc3Oc3ccccc3)CC2)C[C@@H](C)O1 58305288 QVOZTSZOTHUJIZ-QZTJIDSGSA-N 438.528 3.754 0 40 IHAB Cc1nn(C[C@@H](O)c2ccccc2Cl)c(C)c1S(=O)(=O)N1CCc2ccccc21 58393433 GEQZGKIRDFODOC-HXUWFJFHSA-N 431.945 3.638 0 40 IHAB CCC(=O)N1CCc2ccc(NS(=O)(=O)Cc3ccc(C(F)(F)F)cc3)cc2C1 77200768 AEZYVPYRDOFFQJ-UHFFFAOYSA-N 426.460 3.942 0 40 IHAB COc1cc(NC(=O)CN2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)cc(OC)c1OC 95446869 OPDFJNPFVBONFG-INIZCTEOSA-N 438.528 3.715 0 40 IHAB CN(C)C1CCN(C(=O)c2cc(-c3cnc(-c4cccnc4)nc3)cn2CC2CC2)CC1 96147732 PVZSQDDBZNCJAR-UHFFFAOYSA-N 430.556 3.583 0 40 IHAB COc1ccc(C([C@H]2C(=O)Nc3ccccc3C2=O)[C@H]2C(=O)Nc3ccccc3C2=O)cc1 96257596 FTXPRGHYLBJECD-FGZHOGPDSA-N 440.455 3.681 0 40 IHAB Cc1nccn1-c1ccc(C(F)(F)F)cc1NC(=O)CCN1C(=O)c2ccccc2C1=O 97112518 ZJKQGYPLFXKFQS-UHFFFAOYSA-N 442.397 3.824 0 40 IHAB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)N1CCN(c3cccc(C(F)(F)F)c3)CC1)C(=O)C2 100098320 HJLLIXPXDJITJH-MGPUTAFESA-N 444.519 3.553 0 40 IHAB CCC(=O)N1CCc2c(nc3cc([C@@H]4CCCCN4Cc4ccc(C)s4)nn3c2O)C1 100234126 GLEQFXASIAGVGX-FQEVSTJZSA-N 439.585 3.827 0 40 IHAB O=C(O)c1cccc(Nc2cnn(C34C[C@H]5CC(C[C@@H](C5)C3)[C@@H]4C(=O)O)c(=O)c2Cl)c1 101274651 QUJOCYYXDDYAMA-JJZIJDQDSA-N 443.887 3.575 0 40 IHAB Cc1cc(=O)oc2cc(OCC(=O)NC(=O)N[C@@H](C)[C@@H]3C[C@@H]4CC[C@@H]3C4)c(Cl)cc12 102321855 UJZVHULESKUUKL-NHIYQJMISA-N 432.904 3.784 0 40 IHAB CCn1cc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@H]2C3=C(C)C)c(C(=O)NC2CCCCC2)n1 102644689 UWBBAKSRUFMVAU-FEHORTKBSA-N 442.560 3.597 0 40 IHAB CCn1c(CNC(=O)c2ccccc2Cl)nnc1SCC(=O)Nc1ccccc1 108917791 KCIYOKYCRIAENR-UHFFFAOYSA-N 429.933 3.612 0 40 IHAB CC[C@H](C(=O)N[C@@H](C)COc1ccccc1C)N(c1cccc(Cl)c1)S(C)(=O)=O 219093964 QSAQJVOVDAXIBH-QFBILLFUSA-N 438.977 3.777 0 40 IHAB CCOc1cccc(NC(=O)[C@H](C)N(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1 220201508 WKWVLTZVEQKXNM-ZDUSSCGKSA-N 430.448 3.897 0 40 IHAB C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 220249195 UKZFXIXPRNEESG-JTQLQIEISA-N 431.297 3.515 0 40 IHAB CCOc1ccc(N([C@H](CC)C(=O)NCCSc2ccccc2)S(C)(=O)=O)cc1 220667059 PACHSBAVXUWBHA-HXUWFJFHSA-N 436.599 3.538 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCCCc1ccc(Cl)cc1)c1ccccc1F 222658269 ZGHUDZPEKXPXJD-UHFFFAOYSA-N 426.941 3.774 0 40 IHAB CC(C)Oc1cccc(NC(=O)CCCN(c2ccc(F)c(F)c2)S(C)(=O)=O)c1 222679898 OFIPPAFANLOSEQ-UHFFFAOYSA-N 426.485 3.937 0 40 IHAB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(C(=O)O)c1 223066667 LWADIDBDTMBDFF-LEWJYISDSA-N 436.537 3.580 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NCc3ccc(Cl)cc3)o2)cc1 223401985 CVMZZSABZDXCRR-UHFFFAOYSA-N 432.929 3.992 0 40 IHAB CC(C)Sc1nnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)s1 223957389 ISBOQZGFSISVOG-UHFFFAOYSA-N 447.007 3.729 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCSCc3ccco3)cc2)cc1 223982993 ZFCWYYIEQHONMB-UHFFFAOYSA-N 446.550 3.752 0 40 IHAB Cc1ccc(OCCNC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)cc1Cl 224171361 RQJQUOAMNNQFLL-UHFFFAOYSA-N 446.956 3.617 0 40 IHAB CN(c1cccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)c1)S(=O)(=O)c1ccccc1 224255303 XMIAWWSNCWMWLY-UHFFFAOYSA-N 449.532 3.891 0 40 IHAB COc1cccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccccc3)cc2)c1 224561809 NUWZBUZZCUPBIC-MRXNPFEDSA-N 426.494 3.902 0 40 IHAB CCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(NC(=O)COC)c(C)c1 225282689 VOCMVIHPOUFYLW-XZOQPEGZSA-N 449.580 3.973 0 40 IHAB COc1cc2c(cc1OC)CN(C(=O)c1c(-c3ccc(F)cc3)noc1[C@H](C)O)CC2 225435597 QYKFATIFHDYZRD-ZDUSSCGKSA-N 426.444 3.750 0 40 IHAB biogenic,in-vitro CSc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(Br)cc2F)cc1 225536087 GJHPDCUOTGBCNH-UHFFFAOYSA-N 447.351 3.569 0 40 IHAB O=C(c1ccnc(OC2CCOCC2)c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 245060674 PUZFXIXWOHIPBD-UHFFFAOYSA-N 435.446 3.621 0 40 IHAB Cc1cccc(CN2CC[C@H](c3cc4nc(C)c(CCC(=O)NC5CC5)c(C)n4n3)C2)c1 257244510 ILRAVZDUZSQBNO-NRFANRHFSA-N 431.584 3.855 0 40 IHAB CN1CCCCC[C@@H]2N(CC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)[C@H](c3ccccc3)C[C@@]21C 257304106 SKCKZMWKCIRDGM-FXSPECFOSA-N 447.583 3.875 0 40 IHAB COc1ccc(F)cc1-c1ccc(CC2(C(=O)N3CCN(C)CC3)CCOCC2)cc1 257333782 YDAQCLUNKJCSCV-UHFFFAOYSA-N 426.532 3.615 0 40 IHAB CCCNC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(C(=O)[C@H]2CCCO2)CC1 257336265 YNSGUBFKYBVLNL-HSZRJFAPSA-N 435.568 3.605 0 40 IHAB Cc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@H]3C[C@H](C)CC[C@H]3C2=O)c1 408660463 LOAFARUSGIAFMS-YSGRDPCXSA-N 434.492 3.716 0 40 IHAB COc1ccccc1N1CCN(Cc2ccc(C(=O)Nc3ccccc3C(=O)O)cc2)CC1 408863408 NVQONRQQAPDEOX-UHFFFAOYSA-N 445.519 3.968 0 40 IHAB O=C(COC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)Nc1cc(Cl)cc(Cl)c1 409137490 VKNYFGBPEJCZBP-NSHDSACASA-N 425.243 3.667 0 40 IHAB O=C(c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1)N1CC[C@H](Cc2ccc(F)cc2)C1 605687822 QQKHPAJIFNDYDF-MRXNPFEDSA-N 445.491 3.799 0 40 IHAB O=C(c1cccc(Nc2nccc(C(F)(F)F)n2)c1)N1CC(O)(c2ccc(F)cc2)C1 1176998182 YYSWVUVULQWTKV-UHFFFAOYSA-N 432.377 3.722 0 40 IHAB O=S(=O)(NC[C@@H](O)c1ccc(-c2cccs2)o1)c1ccc(Br)s1 1775966918 PABLKCBHOBMWKL-SECBINFHSA-N 434.358 3.844 0 40 IHAB COc1cc(C(=O)Nc2ccc(NC(=O)c3cccc(F)c3)nc2)cc(OC)c1OC 1353312 BNDBCUULEUTHEG-UHFFFAOYSA-N 425.416 3.751 0 40 IHAB CCOC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC(C)(C)OC3 2066622 MIYKHGSNLLNIDE-UHFFFAOYSA-N 430.551 3.954 0 40 IHAB CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)N1CCCc2ccccc21 3529741 DCQHQCSWXHKLTA-NRFANRHFSA-N 428.916 3.617 0 40 IHAB Cn1c(-c2cccc(OCc3ccccc3)c2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 8671588 MLYJUXFRTBNDRB-UHFFFAOYSA-N 438.487 3.718 0 40 IHAB CCOC(=O)c1cnn(-c2ccccc2)c1-n1cccc1C(=O)C(=O)Nc1ccc(F)cc1 8681143 LMYWSFQYDOFSBA-UHFFFAOYSA-N 446.438 3.800 0 40 IHAB O=C(Cn1cc(S(=O)(=O)c2ccccc2)c2ccccc21)Nc1ccc2c(c1)OCO2 8865239 UIHAVHJYQUXLBH-UHFFFAOYSA-N 434.473 3.842 0 40 IHAB O=C(Cn1nnc(-c2ccccc2Cl)n1)Nc1ccccc1C(=O)NCc1ccccc1 8879660 FDXXPBRMRRBVNM-UHFFFAOYSA-N 446.898 3.562 0 40 IHAB COC(=O)c1ccc(C(=O)N(CCCN(C)C)c2nc3c(F)cc(F)cc3s2)cc1 9151944 SIHHNVRCEROIEK-UHFFFAOYSA-N 433.480 3.960 0 40 IHAB O=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 9373606 NQHAOAXIXCZCKM-BJMVGYQFSA-N 448.426 3.948 0 40 IHAB O=C(c1ccc(OCc2cn3ccccc3n2)cc1)N1CCN(C(=O)c2cccs2)CC1 9378430 DZFBRKBMNUNIPX-UHFFFAOYSA-N 446.532 3.573 0 40 IHAB Cc1nc(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)nn1-c1ccc(F)cc1 9481500 GPTDNZYTHNONOP-UHFFFAOYSA-N 431.475 3.952 0 40 IHAB C[C@H]1CCCC[C@H]1NC(=O)CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1=O 9486143 PYGZMVITHVEOHU-QMIHWGKISA-N 444.963 3.759 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 9496315 ZXQQFZZOCJBFFW-UHFFFAOYSA-N 429.524 3.538 0 40 IHAB CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)CSc1nnnn1C1CC1 9515326 VWLVZEXJSJYORH-UHFFFAOYSA-N 448.346 3.781 0 40 IHAB COc1ccc(NC(=O)c2ccc(NC(=O)COC(=O)c3ccccc3OC)cc2)cc1 9633624 RBDWPWIYHAZDQQ-UHFFFAOYSA-N 434.448 3.752 0 40 IHAB CC(=O)Nc1ccc(C(=O)OCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)cc1 9664404 GVHZDSHDWRCEKJ-UHFFFAOYSA-N 434.496 3.924 0 40 IHAB O=C(CCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)Nc1ccc(C(=O)O)c(O)c1 9764053 UCCWRCVRBGHAPZ-CXUHLZMHSA-N 446.868 3.809 0 40 IHAB CCCn1c(SCC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)n[nH]c1=O 9793459 XKTUBMYIAYJLTP-ZDUSSCGKSA-N 433.584 3.574 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N2CCC(Cc3ccccc3)CC2)cc1 9862403 FIDGRWMAHQEMFS-UHFFFAOYSA-N 443.613 3.881 0 40 IHAB CC(C)C[C@H](C(=O)N1CCC(C(=O)Nc2ccccc2)CC1)N1C(=O)c2ccccc2C1=O 10445686 UQOXPSUISNGYHY-JOCHJYFZSA-N 447.535 3.575 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c(C)c1 10447206 IXBNIHCSCATDPQ-AWEZNQCLSA-N 438.933 3.618 0 40 IHAB Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)N[C@H](Cc3ccccc3)C(=O)OC(C)C)ccc12 11866748 ORFKTQHXUNVXIG-LAUBAEHRSA-N 437.492 3.548 0 40 IHAB Cc1cc(-c2cc(=O)n(CC(=O)NCc3cccs3)nc2-c2ccc(C)s2)on1 12156218 QXCBMBZEDPIOKA-UHFFFAOYSA-N 426.523 3.622 0 40 IHAB COc1ccccc1N1CCN(C(=O)CS[C@H]2CCc3ccccc3N=C2O)CC1 12322127 PYJFJINKPUXREL-NRFANRHFSA-N 425.554 3.680 0 40 IHAB C[C@H](c1ccccc1)N(C)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12552931 RLHRNSAZOSKHDT-GOSISDBHSA-N 426.582 3.796 0 40 IHAB CC[C@]1(c2ccc(OC)cc2)NC(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)C1=O 12567868 PTODHVNANMSVQG-JOCHJYFZSA-N 430.888 3.867 0 40 IHAB Cc1cc(C)c(OCC(=O)NCc2ccc(-c3nn4cnnc4s3)cc2)c(Cl)c1 12651732 YVNNUUVUIWPLFV-UHFFFAOYSA-N 427.917 3.818 0 40 IHAB C[C@@H](CC(=O)N1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1)c1ccccc1 12768380 DRQFIIDGPBKBLS-KRWDZBQOSA-N 449.473 3.862 0 40 IHAB CC(C)CNC(=O)NC(=O)[C@H](C)Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 12912106 FHFSZYQRDMDVME-ZDUSSCGKSA-N 426.546 3.724 0 40 IHAB 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C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnc(NC(=O)c2ccc(F)cc2)s1 35314064 UDUNQIMHPYTPOI-GFCCVEGCSA-N 428.514 3.999 0 40 IHAB CCc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)Nc1ccc(Br)c(C)c1 35378134 WXGOJJFEWIUXPW-UHFFFAOYSA-N 448.342 3.871 0 40 IHAB COCc1nn2c(C)c(C(=O)Nc3cc(C)ccc3OC)nnc2c1-c1ccc(F)cc1 39963928 XTJFLEGSKAHGCK-UHFFFAOYSA-N 435.459 3.955 0 40 IHAB CC(C)n1ncc2c(C(=O)Nc3ccccc3OCCC(N)=O)cc(-c3ccco3)nc21 40139034 BGJDXYUBSUWLGX-UHFFFAOYSA-N 433.468 3.779 0 40 IHAB CCc1nn2c(nnc3c(=O)n([C@H](C(=O)O)C(C)C)ccc32)c1-c1ccc(Cl)cc1 40395920 DAZJVNIDOVBLAQ-SFHVURJKSA-N 425.876 3.604 0 40 IHAB Cc1cccc(CN2CCC(NC(=O)Cn3cc(C(F)(F)F)cc(Cl)c3=O)CC2)c1 48290571 SOXRTVOSPKULRB-UHFFFAOYSA-N 441.881 3.610 0 40 IHAB COCCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3cccc(SC)c3)c2c1=O 48988104 HNPROXKWDOSGPQ-UHFFFAOYSA-N 448.548 3.872 0 40 IHAB CSc1cccc(N2C(=O)[C@@H]3[C@@H](N=NN3Cc3nc(-c4ccc(C)c(C)c4)no3)C2=O)c1 49002771 VJGFFWBKWLUTQT-MOPGFXCFSA-N 448.508 3.569 0 40 IHAB COc1ccc2sc(OC3CCN(C(=O)c4cnn(-c5ccccc5)n4)CC3)nc2c1 49432921 VMGVNHMZOKQCHK-UHFFFAOYSA-N 435.509 3.569 0 40 IHAB COc1ccc([C@H](C)NC(=O)Cn2cccc2-c2nc(-c3ccc4c(c3)OCO4)no2)cc1 57487105 SPJZBQHGXIYXKR-HNNXBMFYSA-N 446.463 3.820 0 40 IHAB COc1ccc([C@@H](C)NC(=O)Cn2cccc2-c2nc(-c3ccc4c(c3)OCO4)no2)cc1 57487106 SPJZBQHGXIYXKR-OAHLLOKOSA-N 446.463 3.820 0 40 IHAB COc1cc(NC(=O)NCCO[C@H]2CCCC[C@H]2C)c(C(=O)N2CCCC2)cc1OC 58133670 FUPPTNZLPMUBKW-APWZRJJASA-N 433.549 3.657 0 40 IHAB Cc1nnnn1-c1cccc(NC(=O)NCc2ccc(CN3CCc4ccccc43)cc2)c1 58155377 BWHLIVWWXADWPC-UHFFFAOYSA-N 439.523 3.855 0 40 IHAB C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)N3CCC[C@H]3c3ccsc3)cc2)C[C@@H](C)O1 58531470 WZSUWSHNYUHMRI-YRNRMSPPSA-N 449.598 3.915 0 40 IHAB CC(C)NC(=O)c1ccc(Cl)c(NC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)c1 59338126 FDPLBOPCIJOFTE-GOSISDBHSA-N 427.932 3.508 0 40 IHAB O=C(CN1CCCN(c2nccs2)CC1)N[C@@H](c1ccc(F)cc1)c1cccs1 60099640 PNVJNCZGBTZBGC-FQEVSTJZSA-N 430.574 3.762 0 40 IHAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCC[C@H]3c3ccsc3)cc2)C[C@@H](C)O1 60674239 XQUPNPJLIVFUQG-YRNRMSPPSA-N 434.583 3.523 0 40 IHAB Cc1ccccc1-c1noc(-c2oc3ccc(S(=O)(=O)N4CCOCC4)cc3c2C)n1 64948494 LLRZYLWENHDAPH-UHFFFAOYSA-N 439.493 3.788 0 40 IHAB Nc1c(Br)cncc1S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1 72210947 VYPRJKMUZCKXCJ-UHFFFAOYSA-N 432.343 3.817 0 40 IHAB COc1ccc(C)cc1CC(=O)N1CCN(C)C(=O)[C@@H]1Cc1ccc(-c2ccncc2)cc1 72351839 DXXXIAQFNWVLCX-DEOSSOPVSA-N 443.547 3.520 0 40 IHAB CCCn1cc(S(=O)(=O)N2CCC[C@@H]2c2ccc(Nc3cccc(C)n3)cn2)c(C)n1 72353214 KSIUPUKSRGVFEK-HXUWFJFHSA-N 440.573 3.969 0 40 IHAB Cc1ccc(S(=O)(=O)N2CC[C@H](c3cc(CCOc4ccc(F)cc4)[nH]n3)C2)cc1C 72371717 RTUFQFNIWPFSPN-SFHVURJKSA-N 443.544 3.965 0 40 IHAB Cc1noc(C)c1CCNC(=O)C1(Cc2cccc([C@H]3CCCN(C)C3)c2)CCOCC1 72372220 RRSZPKAUSAUBDO-QHCPKHFHSA-N 439.600 3.799 0 40 IHAB CCOC(=O)[C@@H](CNC(=O)c1cnc(C)c(Br)c1Cl)Cc1ccccc1 84791190 KLIYOVOYRYZWIK-CQSZACIVSA-N 439.737 3.958 0 40 IHAB O=C(Cc1ccc(Br)cc1)N1CCN(c2cc(-c3ccccc3)n[nH]2)CC1 98211711 IYUDGDKPXYCTCG-UHFFFAOYSA-N 425.330 3.731 0 40 IHAB CC(C)C(=O)N1CCCC[C@@H]1c1cc2nc3c(c(O)n2n1)CN(Cc1cccs1)CC3 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CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)c1 222572888 GISSGCLXTBJREV-UHFFFAOYSA-N 430.526 3.662 0 40 IHAB Cc1ccc(-c2noc(CNC(=O)c3cccc(S(=O)(=O)Nc4ccccc4)c3)n2)cc1 223931077 YOFZLKNALRHWKN-UHFFFAOYSA-N 448.504 3.776 0 40 IHAB Cc1cc(C(=O)NCCCOC2CCCC2)ccc1N(C)S(=O)(=O)c1ccccc1 224201235 AMIFLFZULZTMPL-UHFFFAOYSA-N 430.570 3.899 0 40 IHAB Cc1ccc(OCCNC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)c(C)c1 224631158 DBKSTSWTQRCYJK-UHFFFAOYSA-N 438.977 3.698 0 40 IHAB Cc1cccc(N(CCCC(=O)NCCOc2ccccc2Cl)S(C)(=O)=O)c1C 225251020 LSMVDHIGXJBNRE-UHFFFAOYSA-N 438.977 3.698 0 40 IHAB CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)s1 225555596 RGSKGUQWEXWCIS-UHFFFAOYSA-N 442.872 3.996 0 40 IHAB COc1ccc(OCCCC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)C)cc1 225692146 MYMPRJLLXQCERO-FQEVSTJZSA-N 426.557 3.839 0 40 IHAB COc1ccc(CN(C)C(=O)CN(C2CCCCC2)S(=O)(=O)c2ccccc2)cc1 225997634 WHNMACRMSHSWSJ-UHFFFAOYSA-N 430.570 3.677 0 40 IHAB COc1cc2c(cc1OC)CN(C(=O)c1onc(-c3ccc(F)cc3)c1[C@H](C)O)CC2 253408641 YKCBQFIOPNAHQX-ZDUSSCGKSA-N 426.444 3.750 0 40 IHAB biogenic,in-vitro Cc1nc2ccc(NC(=O)CN3[C@H]4CCCCC(=O)N[C@@H]4C[C@H]3Cc3ccccc3)cc2[nH]1 257303091 SFSMGLGJEZFKOI-HUVFLSCGSA-N 445.567 3.554 0 40 IHAB O=C1O[C@]2(CCN(C(=O)C3(Cc4ccccc4F)CCOCC3)C2)CN1c1ccccc1 257337296 YSFHTNDHZSGJLI-VWLOTQADSA-N 438.499 3.793 0 40 IHAB Cc1cc(Nc2cc(CN3CCN(C(=O)Nc4cccc(Cl)c4)CC3)nc(C)n2)[nH]n1 257344681 ZYGUHNYMMSBHNM-UHFFFAOYSA-N 440.939 3.563 0 40 IHAB CCn1c(Cc2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1ccc(F)cc1 408637148 FZBUUDBKVIZWMC-UHFFFAOYSA-N 430.505 3.776 0 40 IHAB C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408661592 XKXWWPZFBSSDFK-AYBQMASMSA-N 448.906 3.776 0 40 IHAB Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)cc1C 408664479 QPKHBTIOHROZFM-NHCUHLMSSA-N 432.476 3.555 0 40 IHAB COC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2cc(Cl)ccc2C)cc1 408668588 VCNADHHAOJBQNU-UHFFFAOYSA-N 446.887 3.726 0 40 IHAB CCc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H](C)C=CC[C@H]4C3=O)cc2)cc1 408671186 YSRHWYCSUYQMQC-VZPUWSDOSA-N 446.503 3.746 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1C 408700366 DRWNOAFHOTWVRO-UHFFFAOYSA-N 444.553 3.845 0 40 IHAB COc1cc(OC)c(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@@H]3C)C2=O)cc1Cl 409209868 GMBBJSVWGQKPTP-CHROMADKSA-N 438.933 3.795 0 40 IHAB O=C(CN1C(=O)S/C(=C/C=C/c2ccccc2)C1=O)Nc1ccccc1N1CCOCC1 409212437 QATYHNWEEQDENO-XZHCKZKCSA-N 449.532 3.754 0 40 IHAB O=C(c1ccccc1Nc1ccccc1)N1CCOC[C@@H](Cc2cn3ccnc3cn2)C1 585261819 QOLSDSAJTDZEBF-IBGZPJMESA-N 427.508 3.804 0 40 IHAB CN(Cc1ccc(F)cc1)[C@H]1[C@H](NC(=O)OC(C)(C)C)C[C@@H](Oc2ccc(F)cc2)[C@@H]1O 585262275 QCNNEHQQIMQVSG-CZYKHXBRSA-N 448.510 3.871 0 40 IHAB CN(C(=O)c1cc(COc2ccccc2F)on1)[C@@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O 585273738 QPEGNFFNYNVCFV-YMPZKCBVSA-N 440.471 3.826 0 40 IHAB CC(C)CC(=O)N1CCCCCCCN(C(=O)CN2CCCC2=O)Cc2ccccc21 643553429 UPUBECANPYJUEA-UHFFFAOYSA-N 427.589 3.981 0 40 IHAB O=C(C[C@H]1Cc2c(O)nc(NCc3ccccc3)nc2NC1=O)Nc1ccc(Cl)cc1 1548338290 BWISDDOEQBVLJE-CQSZACIVSA-N 437.887 3.587 0 40 IHAB COC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCCCC3 715967 ORJXRQRJNSDOAS-UHFFFAOYSA-N 430.551 3.990 0 40 IHAB CCCCOC(=O)NC(=O)c1cc2cc(Br)cc(Br)c2oc1=O 1614347 XPOWNEWTFGMXRK-UHFFFAOYSA-N 447.079 3.985 0 40 IHAB CCOCCOC(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)OCCOCC 2053594 MLMKGXHQCGKGLY-SNDHGLFQSA-N 438.520 3.669 0 40 IHAB Cc1cc(I)ccc1NC(=O)CCNC(=O)OCc1ccccc1 2188279 NALFSRKNYSJVBZ-UHFFFAOYSA-N 438.265 3.855 0 40 IHAB COC(=O)c1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2C(F)(F)F)cc1 9373118 GFKOEFCHYDOWMF-KRWDZBQOSA-N 433.386 3.759 0 40 IHAB CN(CC(=O)Nc1nc(-c2cccs2)cs1)S(=O)(=O)c1ccc(Cl)cc1 9508813 KISFGZRHQQNSLL-UHFFFAOYSA-N 427.960 3.784 0 40 IHAB O=C(c1cc2ccccc2oc1=O)N1CCN(c2nc3c(F)cc(F)cc3s2)CC1 9543603 AOFMERRRUHYQAX-UHFFFAOYSA-N 427.432 3.643 0 40 IHAB COc1ccc(C(=O)NCCc2nnc3ccc(SCc4cccc(C)c4)nn23)cc1 9578641 RRJLAXQWHBQHJZ-UHFFFAOYSA-N 433.537 3.706 0 40 IHAB Cc1ccc(N(CC(=O)NCc2cccnc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C 9846167 ZTIGBMKQWPQHPB-UHFFFAOYSA-N 443.956 3.864 0 40 IHAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 9952355 SCGXMOUXFSDHQD-FQEVSTJZSA-N 429.520 3.907 0 40 IHAB COc1ccc(N(CCCC(=O)NCCCc2ccccc2)S(C)(=O)=O)cc1Cl 10110324 DEGABWGWFKBFRQ-UHFFFAOYSA-N 438.977 3.644 0 40 IHAB O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1ccc(C(F)(F)F)cc1 10765915 WKORTARAXQSNAP-UHFFFAOYSA-N 432.489 3.872 0 40 IHAB O=C(COCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC2(CCCCC2)Oc2ccccc21 12156740 LMLQXZJRROVJJV-FQEVSTJZSA-N 433.508 3.783 0 40 IHAB CCOc1ccc2c(c1)SC1=N[C@@](C(=O)OC)(C(F)(F)F)N=C(N3CCCCC3)N12 12412264 AMYNJSJLZPHWAV-SFHVURJKSA-N 442.463 3.641 0 40 IHAB CCN(C(=O)CSc1nnc(N2CCOCC2)n1-c1ccccc1C)C1=CCCCC1 12731991 XACZMBXPHVRBRX-UHFFFAOYSA-N 441.601 3.811 0 40 IHAB CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)c1ccc(-n2cncn2)nc1 12767014 XEZZGRVZSBVYTA-UHFFFAOYSA-N 435.491 3.787 0 40 IHAB C[C@@H](NC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2C)c1ccc(Cl)cc1Cl 12891027 VKQXRROIIMVFEN-XUSGNXJCSA-N 432.307 3.780 0 40 IHAB COc1cccc(NC(=O)CN(C)Cc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)c1 12992176 DDVZTLKBHRBBES-UHFFFAOYSA-N 434.521 3.731 0 40 IHAB C[C@@H]1CN(Cc2csc(NC(=O)c3cc(Br)ccc3F)n2)C[C@@H](C)O1 13013988 AKNCWVSFHYCAIJ-GHMZBOCLSA-N 428.327 3.906 0 40 IHAB Cc1ccc(NC(=O)[C@@H](C)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)cc1 13554571 YTMHDBHVHWZHEI-UTKZUKDTSA-N 437.540 3.800 0 40 IHAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(C(C)C)cc3)C2)cc1 13629897 PUTPTFFCQDTWGM-IBGZPJMESA-N 443.569 3.808 0 40 IHAB CC1(C)C[C@H]([C@@H](CCNC(=O)CN2C(=O)c3ccccc3C2=O)c2ccccc2)CCO1 13750956 ICVLHYUIIYLZHL-UXHICEINSA-N 434.536 3.778 0 40 IHAB O=C(Oc1ccc(Cl)cc1Br)c1cccc(N2CCCS2(=O)=O)c1 14059368 VEHSZUJWSIFZSP-UHFFFAOYSA-N 430.707 3.862 0 40 IHAB O=C(CSc1nnc([C@H]2COc3ccccc3O2)o1)N1CC=C(c2ccccc2)CC1 14124548 LMUQXNINHWPQEI-HXUWFJFHSA-N 435.505 3.990 0 40 IHAB Cn1c(SC[C@H](O)COCc2ccccc2Cl)nc2sc3c(c2c1=O)CCC3 14251001 RICDFPWOIMCXJN-CYBMUJFWSA-N 436.986 3.807 0 40 IHAB CCCCn1nc(C)c(NC(=O)c2ccccc2NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1C 14405668 WBSRVFYIJKLQCE-UHFFFAOYSA-N 446.511 3.974 0 40 IHAB O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1cc(Cl)ccc1Cl 14427218 HQAJEEKYSCVETA-UHFFFAOYSA-N 443.352 3.586 0 40 IHAB CCOC(=O)c1sc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)nc1C 14866196 PTZFAYBEDPHZJB-AWEZNQCLSA-N 435.933 3.773 0 40 IHAB COC(=O)c1ccc(S(=O)(=O)Oc2ccc(C3SCCS3)cc2OC)cc1 15328787 CYZJPFGKNTWDOO-UHFFFAOYSA-N 426.537 3.728 0 40 IHAB CC(C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2ccc(Cl)cc2)o1 15997148 RUYVAFFXZJWACZ-CQSZACIVSA-N 429.926 3.919 0 40 IHAB O=c1nc2s/c(=C/c3ccc(-c4ccc(Cl)cc4)o3)c(=O)n2nc1-c1ccccc1 16730627 WKAGZOODRBZBSQ-LDADJPATSA-N 433.876 3.639 0 40 IHAB CCCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCO)cc1OCC 16753636 QICMYJNIKPVGNO-JOCHJYFZSA-N 437.492 3.826 0 40 IHAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 17305305 CWYUPSFCOIOUKU-KRWDZBQOSA-N 440.521 3.580 0 40 IHAB Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@@H]1CCCN(C(=O)Cc3ccc(N(C)C)cc3)C1)N2 19128028 QSCQZWHMNFHKCD-YZGWKJHDSA-N 431.531 3.729 0 40 IHAB COc1ccc2c(c1)c(-c1nc(N(C)C)ncc1CNC(=O)c1cccc(F)c1)cn2C 19290359 ZHSPBBZIXRRXQC-UHFFFAOYSA-N 433.487 3.779 0 40 IHAB CCNC(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCCN(C(=O)c2cncc(N)c2)C1 19528584 BKDOLGLZNYJJIM-HHHXNRCGSA-N 442.563 3.932 0 40 IHAB COc1ccc(CN2CCO[C@@](Cc3cccc(-c4cccnc4)c3)(C(=O)N(C)C)C2)cc1 19580869 HHLCBIXOQOGEMR-HHHXNRCGSA-N 445.563 3.659 0 40 IHAB CNC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2ccc3c(c2)OCCO3)C1 19591706 YTKLUFSBIVIODE-HHHXNRCGSA-N 443.547 3.701 0 40 IHAB CCOc1cccc(C(=O)N(Cc2ccc(OCC(N)=O)c(OC)c2)C2CCCCC2)c1 19631956 SCGRBUARPKIBAL-UHFFFAOYSA-N 440.540 3.933 0 40 IHAB COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2CN(Cc3cnc(C(C)C)nc3)CCO2)cc1 19692944 IAAQWSGCXQPKNY-QFIPXVFZSA-N 448.571 3.705 0 40 IHAB O=C(NCCOc1cccc(F)c1)c1ccc([C@@H]2CCCN(Cc3ccccn3)C2)nc1 19752794 NXJNUIOOSWTMCH-HXUWFJFHSA-N 434.515 3.804 0 40 IHAB CCOc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2Cl)C1 19859672 FFCAMDDVDHWYSB-INIZCTEOSA-N 436.961 3.919 0 40 IHAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1cc(S(=O)(=O)NC(C)C)ccc1OC 19933628 QOHVZPPZOUMKBU-LJQANCHMSA-N 434.558 3.795 0 40 IHAB CN(CC(=O)N[C@@H]1CCCc2ccccc21)S(=O)(=O)c1cc(Cl)ccc1Cl 20012961 DEDKOXABYAZDRA-QGZVFWFLSA-N 427.353 3.808 0 40 IHAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)c2c(C)nn(-c3ccccc3)c2Cl)cc1 21157540 POFPUDLYBDZKKG-CQSZACIVSA-N 440.887 3.977 0 40 IHAB COc1cc(CNCCCSc2nnnn2C)cc(Cl)c1OCc1ccccc1 22109312 CMTOTNHKFGVXIW-UHFFFAOYSA-N 433.965 3.723 0 40 IHAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NC[C@H](c2ccsc2)N(C)C)cc1 25330561 NWCLYPKKZDVATL-JOCHJYFZSA-N 432.549 3.788 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2cccc(C(F)(F)F)c2)s1 25364488 CGGGRVFARWPBCA-HNNXBMFYSA-N 432.489 3.545 0 40 IHAB Cc1cc(C)n(Cn2ccc(C(=O)Nc3ccc(Br)c4cccnc34)n2)n1 28304595 UVIWNXSANJCMLI-UHFFFAOYSA-N 425.290 3.765 0 40 IHAB CC(=O)c1cc(Br)ccc1OS(=O)(=O)c1ccc(N2CCCC2=O)cc1 30494734 LWKRJEZPXOUOAN-UHFFFAOYSA-N 438.299 3.546 0 40 IHAB COc1ccc(N2C[C@H](c3nc4ccccc4n3CC(=O)N3CCCCCC3)CC2=O)cc1 31903655 OZXMCQNPRFDWGZ-LJQANCHMSA-N 446.551 3.968 0 40 IHAB CN(C)Cc1ccc(-c2ccccc2CNS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1 32909235 CPVRHFWDIQGMIU-UHFFFAOYSA-N 449.576 3.778 0 40 IHAB O=C1Oc2ccccc2[C@@H]2c3sc(O)nc3S[C@@H](C(=O)Nc3ccc(F)cc3)[C@H]12 35074972 OTQVZPBQAZFKFV-RRFJBIMHSA-N 428.466 3.768 0 40 IHAB C[C@@H](C(=O)Nc1ccc(F)c(F)c1)N(C)Cc1ccc(C(=O)NCC(F)(F)F)cc1 40071665 IBJPNFCAZVPWHU-LBPRGKRZSA-N 429.389 3.716 0 40 IHAB CN(c1ccccc1)C1CCN(C(=O)c2occc2CS(=O)(=O)c2ccccc2)CC1 40150173 RFIGYTFMTQIRAS-UHFFFAOYSA-N 438.549 3.995 0 40 IHAB CCOc1ccc(C(=O)Nc2ccccc2OCc2cc(=O)n3c(ncn3C(C)C)n2)cc1 41077157 GQMKHJQAPUMPFM-UHFFFAOYSA-N 447.495 3.702 0 40 IHAB CCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)Nc2ccc(OC)cc2OC)C1 44803549 SOCCPNAXAPLHQO-INIZCTEOSA-N 436.512 3.901 0 40 IHAB C[C@@H](NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1)c1ccc(S(C)(=O)=O)cc1 44857124 ZMZOHKFSQLMFBO-MRXNPFEDSA-N 434.989 3.833 0 40 IHAB CCc1noc(-c2ccc(SCC(=O)NCc3cccc(Br)c3)nc2)n1 49405666 HCEQKNDSZKXXAI-UHFFFAOYSA-N 433.331 3.865 0 40 IHAB Cc1ccc(C)c(NC(=O)CSc2nc3[nH]ncc3c(=O)n2-c2ccc(F)c(F)c2)c1 51316767 ZRCGIVFKPHGWOL-UHFFFAOYSA-N 441.463 3.735 0 40 IHAB C[C@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)OCc1ccccc1 59532011 SPTDDNAKFOMLRS-UWJYYQICSA-N 438.524 3.597 0 40 IHAB in-vitro COc1ccc(Cn2cnc3c(cnn3-c3ccc(Br)cc3)c2=O)cc1F 67257963 BXLANZJJQYLKOI-UHFFFAOYSA-N 429.249 3.541 0 40 IHAB CCCN1CCc2nc(SCC(=O)Nc3ccc(C(F)(F)F)cc3)nc(O)c2C1 67291911 WPBZNKDTMZCVKC-UHFFFAOYSA-N 426.464 3.700 0 40 IHAB Cc1cccc2c(=O)n(CCC(=O)N3CCC(C(=O)c4ccc(Cl)cc4)CC3)cnc12 72272861 RHUBSWHFTVHQGZ-UHFFFAOYSA-N 437.927 3.870 0 40 IHAB O=C(Nc1ccc([C@H]2OCC(=O)N(Cc3ccc(F)cc3)[C@@H]2CO)cc1)c1ccccc1 72321396 UTZOIFOYGNTKBP-ISKFKSNPSA-N 434.467 3.539 0 40 IHAB biogenic,in-vitro Cc1cc(Nc2cnccn2)cc([C@H]2CCCN(S(=O)(=O)c3ccc(C)c(F)c3)C2)n1 72374929 AETDKDUESCBIPM-KRWDZBQOSA-N 441.532 3.939 0 40 IHAB Cc1ccc(-c2nnco2)cc1NC(=O)NC[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)OC(C)(C)C 79021185 UTTZZMSIMQBJJL-RHSMWYFYSA-N 445.520 3.927 0 40 IHAB COc1cc2c(cc1OC)CN(C(=O)N[C@H](C)C(=O)Nc1cccc3ccccc13)CC2 80350444 FMJOFQACCQWQII-MRXNPFEDSA-N 433.508 3.952 0 40 IHAB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)Nc1cc(Cl)ccc1C(=O)N1CCCC1)C(=O)C2 103637553 FDBNCPLFWCAUTF-LHSJRXKWSA-N 438.977 3.713 0 40 IHAB CN1CCN(CCCNC(=O)NCc2nc(-c3ccccc3)cs2)[C@@H](c2ccccc2)C1 106126201 KIIHUFMPDBLPQN-HSZRJFAPSA-N 449.624 3.988 0 40 IHAB Cc1c(NC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C[C@H]2C)c(=O)n(-c2ccccc2)n1C 107364961 BFPXGAFMOWOYNV-XXBNENTESA-N 447.583 3.859 0 40 IHAB Cc1ccc(OC[C@@H](C)NC(=O)COc2ccc(I)cc2)cc1 219835848 RCSCZEICAWVDHA-CQSZACIVSA-N 425.266 3.562 0 40 IHAB CC(C)Oc1cccc(N(CC(=O)NCCCc2ccccc2Cl)S(C)(=O)=O)c1 220109687 CPCXEPBWTHPFOC-UHFFFAOYSA-N 438.977 3.642 0 40 IHAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc(C(=O)OC)c2)o1 223036339 FEJWAMYFZDWKKQ-LEWJYISDSA-N 437.521 3.747 0 40 IHAB CSc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(Cl)cc2Cl)cc1 223911480 LULIDICMVDZVKJ-UHFFFAOYSA-N 433.382 3.652 0 40 IHAB CC1CCN(S(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)CC1 224372227 YVTNUJXQOSTGBW-UHFFFAOYSA-N 435.358 3.518 0 40 IHAB COc1ccc(C(=O)N2CCCCCC2)cc1CN(c1ccc(F)cc1)S(C)(=O)=O 224761541 CIXSXNJRUGNMLU-UHFFFAOYSA-N 434.533 3.817 0 40 IHAB O=C(Nc1ccc(N2CCCCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 224980527 JORFQDZRZGRTCF-IBGZPJMESA-N 427.570 3.716 0 40 IHAB Cc1ccc2[nH]nc(C(=O)N3CCC[C@@H](CC(=O)NCc4ccc5c(c4)CCCO5)C3)c2c1 257209119 BPDBNWUMYNPYPA-IBGZPJMESA-N 446.551 3.755 0 40 IHAB CN(C)CCN(CCO)C(=O)CCc1ccc2c(c1)C[C@@](C)(Cc1ccc(Cl)cc1)O2 257218014 DBNGMJCMKCQRIC-RUZDIDTESA-N 445.003 3.591 0 40 IHAB Cc1cnc2c(C(=O)N3CCO[C@H](c4cccc(Cc5cccc(Cl)c5)n4)C3)cnn2c1 257246716 IVLROHOZYJYKPX-QFIPXVFZSA-N 447.926 3.891 0 40 IHAB CC(C)(NC(=O)c1cccc(F)c1)C(=O)N1CCOC[C@H](Cc2cccc3cccnc23)C1 257284117 PBHGHRQZALGJJA-GOSISDBHSA-N 449.526 3.600 0 40 IHAB O=C(c1ccccc1CN1CCOCC1)N1[C@H]2CC[C@H]1CC(Cc1cccn3nccc13)C2 257287496 PQFUIFITHBKDGT-ZEQRLZLVSA-N 444.579 3.792 0 40 IHAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1Cl 408555535 XMGJSMOUVPUOSF-VIFPVBQESA-N 437.732 3.961 0 40 IHAB CCOc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OCC)cc3)C2)cc1 408556128 CHZRZVHLRMTRTQ-QGZVFWFLSA-N 432.542 3.523 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)N[C@H](C)CCc2ccccc2)CC1 408584590 RTFJDPJFHXJXFH-LJQANCHMSA-N 444.597 3.542 0 40 IHAB COc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)cc1Cl 408600659 BUDFFPXWDVKBEQ-HXUWFJFHSA-N 444.940 3.877 0 40 IHAB Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4C[C@@H](C)CC[C@H]4C3=O)c2)cc1 408663816 OXNWBVOLQLISGW-DQLDELGASA-N 434.492 3.716 0 40 IHAB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1)Nc1ccccc1Cl 408670957 XUVFZCMEIVOEIO-CALCHBBNSA-N 438.867 3.591 0 40 IHAB CCOCCCNC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 409115811 HNUVNHRYMHZWIZ-UHFFFAOYSA-N 438.977 3.695 0 40 IHAB CCc1ccc(NC(=O)CSc2nnc([C@H](C)NC(=O)c3ccc(C)cc3)n2C)cc1 409126844 HXXGLSXTVIGYPZ-INIZCTEOSA-N 437.569 3.908 0 40 IHAB CCn1c(CNC(=O)Cc2ccccc2)nnc1SCC(=O)Nc1cccc(C)c1C 409168912 NNGLJXPNGGYRPF-UHFFFAOYSA-N 437.569 3.505 0 40 IHAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)Nc2c(F)cccc2F)c(Cl)c1 409269932 BGVLVVQADJJLSX-UHFFFAOYSA-N 432.876 3.570 0 40 IHAB CCc1ccccc1NC(=O)CSc1nnc(CNC(=O)c2ccc(C)cc2)n1CC 409328703 AETUBPUQPBBEQB-UHFFFAOYSA-N 437.569 3.830 0 40 IHAB CC(C)c1nc(N[C@@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)nc(N(C)C)n1 502354222 TZHSTKXJNYHMRS-IBGZPJMESA-N 443.548 3.805 0 40 IHAB O=C(Nc1cccc(S(=O)(=O)N2CCC[C@@H]2Cc2ccc(F)cc2)c1)C(F)(F)F 1653721290 YARSZIOUUHQJHV-MRXNPFEDSA-N 430.423 3.722 0 40 IHAB COC(=O)c1c(NC(=O)c2ccc(Br)cc2)sc(C(=O)N(C)C)c1C 671805 FCOWOZOVMJFHAR-UHFFFAOYSA-N 425.304 3.560 0 40 IHAB CC[C@@H](C)N1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2ccc(OC)c(OC)c2)C1=O 2154334 TWOWLNZKJAGDBM-JUCRVNNTSA-N 447.535 3.669 0 40 IHAB biogenic COc1ccc(C(=O)CSc2nnc3c4c5c(sc4nc(N)n23)CCCC5)cc1 2377402 LZNHMRYAJBWNPK-UHFFFAOYSA-N 425.539 3.784 0 40 IHAB CC(C)(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)cc1 2627515 LOOKVCCFBJRTGG-QFIPXVFZSA-N 433.430 3.807 0 40 IHAB CCCCc1ccc(NS(=O)(=O)c2sc(C(=O)OC)c(C)c2C(=O)OC)cc1 2701344 NFWDHXXUXJXSAM-UHFFFAOYSA-N 425.528 3.773 0 40 IHAB COc1ccc(C(=O)Nc2ccccc2C(=O)N(Cc2ccco2)[C@H](C(N)=O)C(C)C)cc1 3175701 ICABHLHEBWMNSH-QFIPXVFZSA-N 449.507 3.693 0 40 IHAB COc1cccc(-n2c(SCC(=O)NCc3ccccc3)nc3ccccc3c2=O)c1 3245838 WLEHGNCRCDJLNZ-UHFFFAOYSA-N 431.517 3.803 0 40 IHAB COc1ccc(C(=O)OCc2cccc(C(F)(F)F)c2)cc1S(=O)(=O)N1CCCC1 3477084 HEMHBVOVIKQWGJ-UHFFFAOYSA-N 443.443 3.856 0 40 IHAB COCCn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1ccc(Cl)cc1 3477671 VWSOZJTZFGKZEM-UHFFFAOYSA-N 428.945 3.926 0 40 IHAB CCc1nnc(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccc(C)cc2)s1 6135536 AQJUUUJPAMEJCW-UHFFFAOYSA-N 426.527 3.980 0 40 IHAB COc1ccc(Br)cc1CN(C)C(=O)Cc1ccc(N2CCCC2=O)cc1 8748537 OOXTXDPXRPSZOM-UHFFFAOYSA-N 431.330 3.786 0 40 IHAB CCN(c1ccc(-c2csc(Cc3nnc4n3CCCCC4)n2)cc1)S(C)(=O)=O 8943733 IBLWEHJUOPWTDD-UHFFFAOYSA-N 431.587 3.505 0 40 IHAB C[C@@H](Sc1nnc(-c2cc(Br)ccc2O)n1C)C(=O)Nc1nccs1 9096086 DKVJIBKSMCPSGN-MRVPVSSYSA-N 440.348 3.526 0 40 IHAB O=C(NC1=NCCS1)c1cn(Cc2ccc(F)cc2)nc1OCc1ccc(F)cc1 9101329 MAMGWSMKIVLSKT-UHFFFAOYSA-N 428.464 3.621 0 40 IHAB CCOc1c(C)cc(S(=O)(=O)Nc2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)cc1C 9170261 ZPKAMHACWCQVOX-UHFFFAOYSA-N 432.542 3.884 0 40 IHAB COc1ccc(-n2c(C)nnc2SCC(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)cc1 9596686 LZEBXKPHJCFWNA-MRXNPFEDSA-N 448.552 3.740 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)c2cccn(OCc3ccc(F)cc3)c2=O)cc1 9599662 NAUFJMSGEDPYBO-UHFFFAOYSA-N 438.455 3.825 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(-n3c(C)nc4ccccc4c3=O)cc2)cc1F 9715069 JYSCEKOEBGCARS-UHFFFAOYSA-N 439.468 3.643 0 40 IHAB O=C(CSc1ccc2c(c1)OCCO2)Nc1ccc2nc(N3CCOCC3)sc2c1 9767381 SHLMEJGXPOHLAP-UHFFFAOYSA-N 443.550 3.635 0 40 IHAB COC(=O)c1ccc2c(=O)[nH]c(COC(=O)C3(c4ccc(Cl)cc4)CCC3)nc2c1 9767775 TWZVLFOESAITGL-UHFFFAOYSA-N 426.856 3.528 0 40 IHAB COc1ccc(C(=O)N2[C@@H](CC(=O)Nc3cc(C)cc(C)c3)C(=O)N[C@H]3CCCC[C@@H]32)cc1 10075582 RJUCJJZVFJESCM-VABKMULXSA-N 449.551 3.593 0 40 IHAB Cc1cc(C(=O)Nc2ccccc2C(=O)N2CCCCCC2)ccc1NS(C)(=O)=O 10112990 RTDFICVOPDIOSV-UHFFFAOYSA-N 429.542 3.635 0 40 IHAB CC(C)(C)C1CCC(C(=O)OCC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)CC1 11342738 VNVDSLGZQFLYGT-AFMYVXGZSA-N 435.586 3.602 0 40 IHAB COc1ccc(-c2noc(CN(C)C(=O)COc3cccc4ccccc34)n2)cc1OC 12654589 HVZKHBJEOAUGDX-UHFFFAOYSA-N 433.464 3.944 0 40 IHAB O=C(COc1ccc(Cl)cc1)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 12757023 LSFURNKILJREGG-UHFFFAOYSA-N 447.322 3.767 0 40 IHAB O=C(CCNS(=O)(=O)c1ccccc1F)Nc1cccc(C2SCCS2)c1 12794657 PJOKIWRWSPWKPS-UHFFFAOYSA-N 426.560 3.611 0 40 IHAB CC(C)NS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1 12910269 HYCHDFPCUFTVGD-FQEVSTJZSA-N 444.553 3.512 0 40 IHAB COC(=O)[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)CC1 12914685 YWQIZQODAZCOPJ-QFIPXVFZSA-N 440.446 3.897 0 40 IHAB O=C(O)[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 12926807 SDWGBSQMFXTECB-MSOLQXFVSA-N 434.901 3.746 0 40 IHAB O=C(COC(=O)c1ccccc1Cc1ccccc1)Nc1ccccc1C(=O)NC1CC1 13097575 SBFZLCUVWGMWTI-UHFFFAOYSA-N 428.488 3.965 0 40 IHAB Cc1cc(C(=O)Cn2cnc3ccc(Br)cc3c2=O)c(C)n1C[C@H]1CCCO1 13114236 ZGAONKJRBZLOJC-MRXNPFEDSA-N 444.329 3.639 0 40 IHAB C[C@H](Sc1nnc2c3ccccc3n(C)c2n1)C(=O)Nc1nnc(C(F)(F)F)s1 13566159 QNLNNXSUNOZMHI-ZETCQYMHSA-N 439.448 3.506 0 40 IHAB COc1ccccc1[C@H]1N=C(N2CCC(Cc3ccccc3)CC2)Nc2nc(C)cc(=O)n21 13637307 KUUYSFDILVBILD-DEOSSOPVSA-N 443.551 3.843 0 40 IHAB CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cc(-c2cccs2)nn1-c1ccccc1 14181926 APYYYIBWUNKNQM-NRFANRHFSA-N 442.544 3.914 0 40 IHAB Cc1ccc(C)c(N(CC(=O)Nc2ccc(Br)cc2F)S(C)(=O)=O)c1 14413606 QZQXYNMHPFEMGC-UHFFFAOYSA-N 429.311 3.610 0 40 IHAB COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(NC(=S)NC(C)=O)cc1 16139105 ZNMGIPAGBGJQNB-XCVCLJGOSA-N 448.342 3.943 0 40 IHAB CCc1nn(C)c(C(=O)NCCn2nc(-c3ccc(F)cc3)cc2-c2cccnc2)c1C 19521060 KRKWYBCLTLBMLS-UHFFFAOYSA-N 432.503 3.786 0 40 IHAB COc1ccc(CNC(=O)C2(C[C@H]3CC(c4ccccc4OC)=NO3)CCOCC2)cc1 19555715 CEMBAVGAISNRAO-HXUWFJFHSA-N 438.524 3.700 0 40 IHAB Cc1c(C(=O)N[C@@H](C)C(C)C)sc2nc3n(c(=O)c12)CCN(Cc1ccccc1)CC3 19565166 UVGFHSVZODSBIO-KRWDZBQOSA-N 438.597 3.599 0 40 IHAB Cc1c(C(=O)N2CC[C@H]3[C@H]2CCCCC(=O)N3Cc2cccc(C(F)(F)F)c2)cnn1C 19713195 JKJLXDJPGOYSPD-UXHICEINSA-N 448.489 3.933 0 40 IHAB COc1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3N2C(=O)c2ccc(C)cc2)cc1 19898583 YDCZBSAOVTWGKR-QFIPXVFZSA-N 429.476 4.000 0 40 IHAB O=C(Nc1ccc2c(c1)OCO2)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl 20062079 NJZTVZWAGBOYIU-UHFFFAOYSA-N 436.917 3.886 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccc(OC)cc2OC)o1 21571331 PMNNYVSCBCAWFJ-UHFFFAOYSA-N 443.481 3.661 0 40 IHAB Cc1cn2c(=O)cc(COC(=O)c3cccc(NC(=O)c4cccc(F)c4)c3)nc2s1 21633492 ZXQNHCDOIXBRQZ-UHFFFAOYSA-N 437.452 3.813 0 40 IHAB COc1ccc(C)cc1N(CC(=O)Nc1ccc(OC2CCCC2)cc1)S(C)(=O)=O 22336231 AFFLSSVURFGIRF-UHFFFAOYSA-N 432.542 3.730 0 40 IHAB Cc1ccc(CNC(=O)Cn2cccc(-c3nc(-c4ccc(Cl)cc4)no3)c2=O)cc1 23126302 QNBWIFDVYFSRIX-UHFFFAOYSA-N 434.883 3.844 0 40 IHAB Cc1noc(C)c1COc1cccc(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)c1 23989920 QHMIETQXQVUMFL-DEOSSOPVSA-N 435.524 3.674 0 40 IHAB COc1ccc(Cl)cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(C)cc2)CC1 24608985 GXGWUWOWPMFTQI-UHFFFAOYSA-N 436.961 3.838 0 40 IHAB Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)NCCN(C(C)C)C(C)C 24832998 VEDLZWHHJJSNDR-UHFFFAOYSA-N 438.494 3.926 0 40 IHAB O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CCN(Cc2cccs2)CC1 25637612 GDIMYKWVFNKLIK-UHFFFAOYSA-N 429.549 3.954 0 40 IHAB CS(=O)(=O)c1ccccc1C(=O)NCCSCc1ccc(Br)s1 30513191 JZDASDQYTDNORG-UHFFFAOYSA-N 434.402 3.577 0 40 IHAB Cc1cc(S[C@@H](C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)nc(C(C)C)n1 30969233 BDCDYAMUFGOVJV-HNNXBMFYSA-N 436.603 3.586 0 40 IHAB CC(C)c1nnc2ccc(N3CCC[C@H](C(=O)Nc4ccc(Br)cc4)C3)nn12 32072942 PVVYMURNYLEECT-AWEZNQCLSA-N 443.349 3.865 0 40 IHAB CC(=O)Nc1cccc(-n2nnnc2SCCOc2cccc(Br)c2)c1 32772323 UOCLWRYEWZVWSC-UHFFFAOYSA-N 434.319 3.554 0 40 IHAB O=C(Cc1ccc2c(c1)OCCO2)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCCO2 32854665 NESKSPLDHUGZOX-UHFFFAOYSA-N 446.459 3.663 0 40 IHAB COc1ccccc1[C@H](c1nnnn1C1CCCC1)N1CCN(c2ccccc2OC)CC1 35310978 KTGZPZISXDETDA-XMMPIXPASA-N 448.571 3.717 0 40 IHAB O=C(Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)c1cnc2ccccc2n1 36393331 ZFCVUPOEVPLHNX-UHFFFAOYSA-N 440.431 3.961 0 40 IHAB O=C(N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)[C@@H]1COc2ccccc2C1 40107840 GBNHMKCFOIQMPK-HKUYNNGSSA-N 432.442 3.736 0 40 IHAB Cc1occc1C(=O)Nc1nc(CC(=O)Nc2ccc(N3CCCCC3)nc2)cs1 40132348 HPCYDPFOGZGYTM-UHFFFAOYSA-N 425.514 3.863 0 40 IHAB O=C(Cn1nc2c(SCc3ccc(Cl)cc3)nccn2c1=O)Nc1ccccc1F 49008892 CKLTYECSRKXAGC-UHFFFAOYSA-N 443.891 3.615 0 40 IHAB CCOc1ccc(-c2cc(C(=O)N3CCC(NC(=O)c4ccc(OC)cc4)CC3)[nH]n2)cc1 49406695 QFPBLWJLWKOXHU-UHFFFAOYSA-N 448.523 3.519 0 40 IHAB O=C(NC[C@H]([C@@H]1CCOC1)N1CCCC1)Nc1cccc(NC(=O)c2cccs2)c1 58167344 ASJZOEWOQOKTKL-VQIMIIECSA-N 428.558 3.623 0 40 IHAB CCCCOc1ccc(C(=O)NCC(=O)N2CCC[C@@H]2c2nc3ccccc3n2C)cc1 58313873 NVADDKYMGHMQET-JOCHJYFZSA-N 434.540 3.846 0 40 IHAB O=C(CNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1)Nc1cc(Cl)ccc1Cl 60512659 UPNHCABROBVJBV-UHFFFAOYSA-N 434.201 3.706 0 40 IHAB CC(=O)c1ccc(NC(=O)Cn2ncn3nc(-c4cccc5ccccc45)cc3c2=O)cc1 67208566 NLRGWJVRLSKPHV-UHFFFAOYSA-N 437.459 3.553 0 40 IHAB COc1cc2c(cc1OC)[C@H]1c3ccccc3N(Cn3nnc4ccccc43)C(=O)N1CC2 72342074 QHIJDKLAOBCCLA-XMMPIXPASA-N 441.491 3.994 0 40 IHAB C[C@@H]1[C@@H](C(F)(F)F)OC(=O)N1c1ncccc1NC(=O)c1ccn(-c2ccc(F)cc2)n1 84678315 UGVTWHMTDWFFFF-BZNIZROVSA-N 449.364 3.935 0 40 IHAB CCOC(=O)c1c(NC(=O)CCN[C@H](C(N)=O)[C@@H](C)CC)sc(C)c1-c1ccccc1 89942171 SXQNIIMZCNPLJO-XOBRGWDASA-N 445.585 3.718 0 40 IHAB O=C(CN1C(=O)CCCc2ccccc21)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 96008125 YEUWYAUYCQQFLP-HXUWFJFHSA-N 432.442 3.975 0 40 IHAB COc1ccc(CN2CC[C@@H]3Oc4ccccc4S(=O)(=O)N(CC4CC4)[C@H]3CC2)cc1 96145899 YGBDENYCGTYSDJ-VXKWHMMOSA-N 442.581 3.522 0 40 IHAB CN(C)[C@@H]1CCN(C(=O)c2cnc(-c3noc4cc(N5CCCCC5)ccc34)s2)C1 96154638 OQAWGWILUNNWHN-MRXNPFEDSA-N 425.558 3.718 0 40 IHAB COc1cc2ccccc2cc1C(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O 97674646 GTKAYEHZYDTRQI-RGVLZGJSSA-N 433.489 3.710 0 40 IHAB CC1(C)C[C@@H](NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c2ccccc2O1 219985088 FBZMENFNIFXOAC-HXUWFJFHSA-N 428.554 3.893 0 40 IHAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H](C)N(c1cccc(F)c1)S(C)(=O)=O 220489230 FUMBSPRLRJMKAY-HNAYVOBHSA-N 434.533 3.707 0 40 IHAB CSc1nnc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2C)s1 222769584 BQCPTXCYBAQTBG-UHFFFAOYSA-N 434.568 3.930 0 40 IHAB C[C@H](NC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1)c1ccc2c(c1)CCCC2 223001642 FAUFAESUFIFZSM-DLBZAZTESA-N 430.570 3.606 0 40 IHAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN(C)C)c(C)n1-c1nccs1 223214982 RXJDNEIAYXDVEI-UXHICEINSA-N 440.642 3.870 0 40 IHAB COc1ccc(OC)c([C@@H](C)NC(=O)CCCN(c2cccc(C)c2C)S(C)(=O)=O)c1 223318505 PJNLQZBEUFBSAZ-GOSISDBHSA-N 448.585 3.744 0 40 IHAB CCN(Cc1ccc(C(=O)N2CCC(C)CC2)cc1)S(=O)(=O)c1ccc(OC)cc1 224464702 AONJQWFAIKDPLC-UHFFFAOYSA-N 430.570 3.778 0 40 IHAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)COc1cc(OC)cc(OC)c1 225124884 GSICMYOKCSYIFP-QHCPKHFHSA-N 442.556 3.725 0 40 IHAB CC[C@@H](NC(=S)Nc1ccc(N2CCCC2=O)c(C)c1)c1ccc(S(C)(=O)=O)cc1 225725409 UNYMCVKLHFTREZ-LJQANCHMSA-N 445.610 3.963 0 40 IHAB O=S(=O)(c1ccc(Br)cc1)N1CC[C@@H](Oc2cccc3cccnc23)C1 244933310 CLNUSJRPWIOYQV-MRXNPFEDSA-N 433.327 3.839 0 40 IHAB COc1ccc(Cc2cnc([C@@H]3CCCN(C(=O)CN(C)Cc4cccnc4)C3)o2)cc1 257278696 ODGMBUSNMKXOBB-OAQYLSRUSA-N 434.540 3.507 0 40 IHAB COc1ccc(CN(CC(=O)O)C(=O)CCCn2c(C(F)(F)F)nc3ccccc32)cc1 257296306 RCDYJQIMRVZXIM-UHFFFAOYSA-N 449.429 3.957 0 40 IHAB Cc1ccc(NC(=O)COC(=O)CCS(=O)(=O)c2ccc3ccccc3c2)cc1C 408647532 ULDFYAFCJNWYCV-UHFFFAOYSA-N 425.506 3.802 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NC3CCCCC3)c(C)c2)cc1 408675637 KAZYVPAVXXFQGS-UHFFFAOYSA-N 432.542 3.632 0 40 IHAB COc1cc(C(=S)N2C[C@@H](C)O[C@H](C)C2)ccc1OCC(=O)Nc1cccc(C)c1 409249971 KMBWYWXJLPWNQZ-IAGOWNOFSA-N 428.554 3.806 0 40 IHAB COc1ccc(C)cc1NC(=O)CSc1nnc(COc2ccc(C)cc2OC)n1C 409333587 UQWZDQNAWXZGGR-UHFFFAOYSA-N 442.541 3.759 0 40 IHAB Cc1c(NC(=O)N[C@@H](c2ccc(F)cc2)c2cnn(C)c2)nnn1Cc1ccccc1F 549324859 XFXZAXWXHKLBOA-FQEVSTJZSA-N 437.454 3.558 0 40 IHAB CC(C)CC(=O)N1CCN2CC(=O)Nc3cc(-c4ccc(F)cc4F)ccc3OC[C@H]2C1 1772594610 PKZMVPAVEZXGLL-GOSISDBHSA-N 443.494 3.522 0 40 IHAB CC[C@@H]1CN(C(=O)Nc2ccc(F)cc2F)[C@H](CO)[C@@H]1CN(C)CCc1ccccc1 1772594987 NADIJXVYPUFGSM-KKLQWCBXSA-N 431.527 3.990 0 40 IHAB COc1ccc([C@@H]2CN(C(C)=O)CCN2C(=O)C2(c3ccc(OC)cc3)CCCC2)cc1 1848352698 TVHVSIDUBSXIIQ-DEOSSOPVSA-N 436.552 3.948 0 40 IHAB Cc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)c3ccc(C)cc3)n2)cc1 1372795 XJMMPTXGSBKRDW-UHFFFAOYSA-N 426.480 3.848 0 40 IHAB CCN(CC)CCNC(=O)/C(=C/c1cn(C)c2ccccc12)NC(=O)c1ccc(C)cc1 2247343 RYKMTRFKGWPTES-QJOMJCCJSA-N 432.568 3.716 0 40 IHAB COc1cc(NC(=O)COc2ncnc3c(Cl)cc(Cl)cc23)cc(OC)c1OC 2635885 ZXPYSTRKGWVRFD-UHFFFAOYSA-N 438.267 3.980 0 40 IHAB COc1ccc(S(=O)(=O)c2cn(Cc3ccccc3)c3ccc(OC)cc3c2=O)cc1 2693452 WXEPGLGQYQFYJR-UHFFFAOYSA-N 435.501 3.900 0 40 IHAB CCN(CC)c1ccc(NC(=O)COC(=O)[C@]23CCC(=O)N2c2ccccc2S3)cc1 3363734 RGGSGZGFAUHMRW-HSZRJFAPSA-N 439.537 3.644 0 40 IHAB CC(C)CC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)cc1 7001683 KBBOHROMOVEHKE-UPCLLVRISA-N 427.545 3.991 0 40 IHAB Cc1ccc2[nH]c(=O)c(CN(Cc3nnnn3Cc3ccccc3)C3CCCC3)cc2c1 8582812 WIKFPJAULQHKJN-UHFFFAOYSA-N 428.540 3.816 0 40 IHAB Cc1cc(C(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)c(C)n1Cc1ccccc1 8897361 BOEDCQYIXGOQJR-SANMLTNESA-N 443.503 3.566 0 40 IHAB CC(C)CNC(=O)c1ccccc1N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 8918275 TVKMYUWJCKMDFA-VWLOTQADSA-N 430.508 3.794 0 40 IHAB biogenic O=C(O)/C(=C\c1ccc(Br)cc1)c1ccc(S(=O)(=O)N2CCCC2)s1 8938397 VAXNNFKSXCNTLT-KAMYIIQDSA-N 442.356 3.920 0 40 IHAB COc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2C[C@@H]2CCCO2)cc1OC 9124000 TWGPXKOWBGAJHP-NPMXOYFQSA-N 435.480 3.524 0 40 IHAB C[C@H](NC(=O)CCc1nc2ccccc2n(CCc2ccccc2)c1=O)c1cccnc1 9368216 HVYVIRZGJJWXCB-IBGZPJMESA-N 426.520 3.844 0 40 IHAB CC(C)Cc1nc2sc3c(SCC(=O)N4CCOCC4)ncnc3c2c2c1CCC2 9428700 DOGMYZPDZVKMTI-UHFFFAOYSA-N 442.610 3.878 0 40 IHAB COc1cc(/C=C/C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cn2)ccc1OC(F)F 9442144 HRIUCYQRGSGUND-SOZJPDODSA-N 426.803 3.929 0 40 IHAB Cc1c(CC(=O)NC2CCN(Cc3ccccc3)CC2)c(=O)oc2cc(O)c(Cl)cc12 9449997 ASBVATCSOOSXIZ-UHFFFAOYSA-N 440.927 3.784 0 40 IHAB CCCCc1nc(SCc2ccc(C(F)(F)F)cc2)c2c(=O)n(C)c(=O)n(C)c2n1 9517435 GAZLNIOUZVYWFC-UHFFFAOYSA-N 438.475 3.681 0 40 IHAB CCc1ccc(NC(=O)C(=O)NCCc2csc3nc(-c4cccc(C)c4)nn23)cc1 9569086 OCMARLMVDPUAIQ-UHFFFAOYSA-N 433.537 3.626 0 40 IHAB COc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)cc1F 9728955 JNJRPPQDHNAXNL-NTCAYCPXSA-N 446.544 3.505 0 40 IHAB COc1cc(NC(=O)CSc2nccn(-c3ccc(C)c(Cl)c3)c2=O)cc(OC)c1 9761430 YKTQZXHBGBYHLK-UHFFFAOYSA-N 445.928 3.942 0 40 IHAB CCc1cccc2c(C(=O)CSc3nnc(COc4cccc(OC)c4)n3N)c[nH]c12 9867650 JPGZCTIWGWXLLF-UHFFFAOYSA-N 437.525 3.598 0 40 IHAB O=C(CSc1ccc2ccccc2n1)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 10140092 GEEJBYXUEJPYDT-INIZCTEOSA-N 432.592 3.604 0 40 IHAB Cc1ccc(N2C(=O)N(CC(=O)N3CCC[C@H](C)C3)c3ccccc3S2(=O)=O)cc1C 10273707 NKQCNRGIQDZWBN-INIZCTEOSA-N 441.553 3.697 0 40 IHAB Cc1ccc(CSc2nc3c(c(=O)n(Cc4ccc(Cl)cc4)c(=O)n3C)n2C)cc1 10386055 XZXWEYBZHORNGM-UHFFFAOYSA-N 440.956 3.736 0 40 IHAB COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3cccc(C(C)=O)c3)n2)cc1OC 11693352 MNBXSSKNOSXUMA-UHFFFAOYSA-N 435.480 3.549 0 40 IHAB C[C@H](Cc1cccs1)C(=O)N1CCC[C@@H]([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)C1 12181994 QMHFJRKTVBBYAK-LUYZLQTOSA-N 427.496 3.745 0 40 IHAB Cc1cc(-c2snnc2[C@@H]2CCCN(C(=O)C[C@@H](C)n3nc(C)c(C)c3C)C2)on1 12252037 IBCQUWRDACSNED-CXAGYDPISA-N 428.562 3.981 0 40 IHAB O=C(CN1CCC[C@@H](C(=O)Nc2ccccc2)C1)NCc1ccccc1OC(F)(F)F 12328512 MCCXYWWLAAZWBX-QGZVFWFLSA-N 435.446 3.552 0 40 IHAB CNS(=O)(=O)c1ccc(C)c(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)c1 12865512 DRECEDILFZMIPN-UHFFFAOYSA-N 441.534 3.703 0 40 IHAB COc1ccc(Cl)cc1CN(C)C(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCC3 12888466 UBOODCMWMIBQCX-UHFFFAOYSA-N 431.945 3.727 0 40 IHAB Cc1nn(Cc2cc(-c3ccccc3)on2)c(C)c1S(=O)(=O)N(C)Cc1ccco1 12891392 YBKPDRCVEFTOJA-UHFFFAOYSA-N 426.498 3.617 0 40 IHAB CN([C@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 13102737 GFQIGNBJDPSVCZ-SFHVURJKSA-N 426.460 3.677 0 40 IHAB Cc1cc(C)n2nc(SCC(=O)N[C@@H](c3ccc(F)cc3)c3cccs3)nc2n1 13128216 MNPWCJLGNADOBV-SFHVURJKSA-N 427.530 3.940 0 40 IHAB COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CCOc3ccccc3C)C2=O)cc1 13149164 DKHLMIHKVLBGPD-UHFFFAOYSA-N 446.503 3.887 0 40 IHAB Cc1cc(-c2cc(O)nnc2C2CCN(C(=O)Cc3c(F)cccc3Cl)CC2)on1 13226293 KSGCICWHZHQBMC-UHFFFAOYSA-N 430.867 3.887 0 40 IHAB CCOC(=O)C1CCN(C(=O)C2(NC(=O)Nc3ccc(F)cc3F)CCCCC2)CC1 13563204 MLLJUAABWMDWBB-UHFFFAOYSA-N 437.487 3.591 0 40 IHAB CCOc1ccc(-c2nc(CN3C(=O)C(=O)N(Cc4cccs4)C3=O)cs2)cc1 14240955 YFGKQXNVBONNRB-UHFFFAOYSA-N 427.507 3.761 0 40 IHAB O=C(NC1CCN(Cn2nc(-c3cccnc3)n(C3CC3)c2=S)CC1)c1ccccc1 14808194 SPMWPWYVXJBIMH-UHFFFAOYSA-N 434.569 3.663 0 40 IHAB CCC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3cc(C)cc(C)c3)co2)s1 16047758 ZNZVBIORJOOVLY-UHFFFAOYSA-N 445.522 3.968 0 40 IHAB COC(=O)c1c(NC(=O)CCS(=O)(=O)c2ccc(F)cc2)sc2c1CCCCC2 16047986 OQEDMTGKQNSHBD-UHFFFAOYSA-N 439.530 3.745 0 40 IHAB COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccccc2N2CCCC2)c(F)c1F 17095354 KXSZKZDJYOIILO-UHFFFAOYSA-N 427.423 3.979 0 40 IHAB COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@]3(c3ccccc3)N3CCCN23)cc1 19171406 RZUJMYKUMLGNIH-FKCDAAJZSA-N 439.515 3.758 0 40 IHAB Cc1nc(N(C)C)ncc1C(=O)N1CCC[C@H](c2ccc(Cc3cccc(F)c3)cn2)C1 19690352 KSWGXNBOBQBEMR-FQEVSTJZSA-N 433.531 3.996 0 40 IHAB Cc1noc(C)c1S(=O)(=O)N1CCC(c2ccc(Cc3ccccc3F)cn2)CC1 19690398 DLNLGDOGKQFUAJ-UHFFFAOYSA-N 429.517 3.985 0 40 IHAB COc1ccc([C@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 19931338 LKXRIALSOSQGOX-HNNXBMFYSA-N 436.961 3.627 0 40 IHAB COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)Nc1ccc(Cl)cc1C)=C2C 20063963 PZTLDRJAXKKFFE-UHFFFAOYSA-N 436.917 3.815 0 40 IHAB CC(C)NC(=O)[C@@H](C)[C@H]1CC[C@@]2(C)CC[C@H](NC(=O)COc3ccccc3)[C@@H](C)[C@@H]2[C@H]1O 20466896 OYVBJTTUCKSPOW-JZNVBFRMSA-N 444.616 3.534 0 40 IHAB biogenic,in-vitro CS(=O)(=O)N1CCc2cc(C(=O)OCc3ncc(-c4ccc(Cl)cc4)o3)ccc21 21490112 YKUSXTYVFLDYBK-UHFFFAOYSA-N 432.885 3.674 0 40 IHAB CCOC(=O)Cc1csc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)n1 22130656 MPLLYKWLSSJQEA-UHFFFAOYSA-N 442.463 3.518 0 40 IHAB Cc1c(-c2ccc(Cl)cc2)c(=O)oc2c3c(ccc12)OCN(CCN1CCOCC1)C3 22935648 YIYXRRGSABQVLT-UHFFFAOYSA-N 440.927 3.906 0 40 IHAB biogenic O=C(c1ccccc1Br)N1CCN(Cc2nc(-c3cccs3)no2)CC1 24334228 ZLGTWZLDDCUWHB-UHFFFAOYSA-N 433.331 3.519 0 40 IHAB O=S(=O)(CCN1CCC([C@H](O)c2ccccc2)CC1)c1ccc(Br)cc1 26118040 VQTWGLCVOJXHBF-HXUWFJFHSA-N 438.387 3.668 0 40 IHAB O=C(Nc1ccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)cc1)[C@@H]1CCCO1 30531484 BLYNGSVAIVUJFL-HNNXBMFYSA-N 430.404 3.504 0 40 IHAB O=C(c1ccc(CS(=O)(=O)c2ccccc2)o1)N1CCC([C@H](O)c2ccccc2)CC1 31267614 DLCLGCMCCHAGFV-HSZRJFAPSA-N 439.533 3.839 0 40 IHAB C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCC[C@H]3c3ccc(F)cc3)cc2)C[C@@H](C)O1 32901527 CBKATYDWOHSNHF-YVHKJVDXSA-N 446.544 3.601 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)[C@H]3CCCc4ccccc43)C2)s1 32903924 BBHCYZCFJYEUFN-ICSRJNTNSA-N 432.611 3.993 0 40 IHAB Cc1cccc(NC(=O)CSc2nnc([C@H](C)NC(=O)c3ccccc3Cl)n2C)c1 35153476 NSZPPLGOPLMTRS-AWEZNQCLSA-N 443.960 3.999 0 40 IHAB O=C(CN1c2ccc(Br)cc2-c2ccccc2S1(=O)=O)Nc1cccnc1 35476015 NPKHDKQVQDBQQM-UHFFFAOYSA-N 444.310 3.659 0 40 IHAB COC(=O)c1ccc(NC(=O)CSCc2nc3sc(C(C)C)cc3c(=O)[nH]2)cc1 36354290 AOGKIYIGZSMBRD-UHFFFAOYSA-N 431.539 3.767 0 40 IHAB COc1cc(OC)c(C2=CCN(C(=O)Cc3ccc(OC)c(OC)c3)CC2)c(OC)c1 36394836 YHWJESFXCMHQQE-UHFFFAOYSA-N 427.497 3.588 0 40 IHAB Cc1cc(C(=O)NC2CCN(C(=O)c3ccc(C4SCCCS4)cc3)CC2)no1 48308987 XIKOOLFKDXCRRE-UHFFFAOYSA-N 431.583 3.886 0 40 IHAB CCCN1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cc(OC)ccc2OC)CC1 58140741 FSVINODPFWGZJC-UHFFFAOYSA-N 434.540 3.724 0 40 IHAB Cc1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(Br)c(C)c3)c2C)cc1 67323533 PHDQYTCMFMTNIX-UHFFFAOYSA-N 442.317 3.857 0 40 IHAB CC(=O)Nc1ccc(NC(=O)CN2C(=O)C(c3ccccc3)=NC23CCC(C)CC3)cc1 71327924 DYCSHWKAEOQOHK-UHFFFAOYSA-N 432.524 3.821 0 40 IHAB O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)NCC1(c2ccc(F)cc2)CCOCC1 71823372 NWXKYEUDSZHIHQ-UHFFFAOYSA-N 442.575 3.713 0 40 IHAB CCN(C[C@@H]1COc2ccccc2O1)S(=O)(=O)Cc1ccc(Br)cc1F 72232391 CNLYTWCSJWAARU-OAHLLOKOSA-N 444.322 3.580 0 40 IHAB Cc1nc(C)c(CC(=O)N2CCC[C@@H](c3n[nH]cc3C(=O)N(C)C3CCCCC3)C2)s1 72344782 KBQYKQSSYRUBCP-QGZVFWFLSA-N 443.617 3.836 0 40 IHAB Cc1nc(-n2cccc2)sc1C(=O)N1CCN(CCn2ccnc2-c2ccccc2)CC1 77158607 UHLIUOUDPDTKKJ-UHFFFAOYSA-N 446.580 3.564 0 40 IHAB CC(C)(C)c1ccccc1NC(=O)CN1C(=O)N[C@@]2(CCc3cc(Cl)ccc32)C1=O 95430253 WHHRZJIFZDRWAK-HSZRJFAPSA-N 425.916 3.970 0 40 IHAB CC(C)Cn1ccnc1CNC(=O)[C@@H]1CC(=O)N(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 95989116 IENNALOZXIBXFD-IERDGZPVSA-N 434.943 3.946 0 40 IHAB COCCN(CCOC)C(=O)c1cc(-c2cnc(-c3ccccc3)nc2)cn1CC1CC1 96037759 ZXYFTVNLLUAKOO-UHFFFAOYSA-N 434.540 3.757 0 40 IHAB Cc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccc(C(=O)O)cc3)C(=O)[C@@H]2ON1c1ccccc1 102767631 JRCAJBKWMVHQDJ-YPAWHYETSA-N 428.444 3.744 0 40 IHAB CCCON1C(=O)[C@@H]2[C@H](C1=O)[C@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl 104205062 QZCCUIFTKHYFJX-PQTTXJEBSA-N 427.926 3.775 0 40 IHAB C[C@@H](NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1)c1ccccc1 138711008 VECCFZPPEMVMEW-UKRRQHHQSA-N 435.307 3.767 0 40 IHAB CCc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2cccc(C(F)(F)F)c2)CC1=O 138755599 DWDAOWBMSBXPBY-HNNXBMFYSA-N 434.414 3.803 0 40 IHAB COC[C@]1(C(N)=S)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 218624727 OXOAOMWXKDCWAE-XYJFISCASA-N 430.378 3.852 0 40 IHAB CC[C@H](C(=O)N[C@@H]1CC(C)(C)Oc2cc(OC)ccc21)N(c1ccccc1)S(C)(=O)=O 219087153 RKYXOTIETXQXSI-WOJBJXKFSA-N 446.569 3.658 0 40 IHAB CC[C@@H](Oc1cccc(C)c1)C(=O)N(C)Cc1nc(-c2ccc(OC)cc2OC)no1 219319663 TXZDXOKFHSVTSH-LJQANCHMSA-N 425.485 3.878 0 40 IHAB COc1ccc([C@@H](CC(C)C)NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 219978103 GHUVKQWXQXEBTF-JOCHJYFZSA-N 430.570 3.997 0 40 IHAB CN(c1ccc(Cl)c(C(=O)Nc2ccc(Br)cc2F)c1)S(C)(=O)=O 222497473 BYRRIXZISBDWOJ-UHFFFAOYSA-N 435.702 3.890 0 40 IHAB CC[C@H](C(=O)NCCCc1ccc(F)cc1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O 222509608 SOBQBPIDRQQYJJ-LJQANCHMSA-N 444.931 3.912 0 40 IHAB CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc(Br)c(C)c1 223624395 YLBYDOPIWHJWOJ-QGZVFWFLSA-N 447.373 3.998 0 40 IHAB Cc1ccc(N([C@@H](C)C(=O)NCCOc2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1 223889747 PYDJRHXWAFZESL-SFHVURJKSA-N 432.586 3.642 0 40 IHAB CCOC(=O)N1CCN(C(=O)c2ccc(OC)c(COc3cc(C)cc(C)c3)c2)CC1 224198052 NOIUEXIGSXVEPC-UHFFFAOYSA-N 426.513 3.805 0 40 IHAB COc1ccc(CN(C(=O)COc2cccc(C)c2C)[C@H](C)C(=O)NCC(C)C)cc1 224481779 PRDBBBTVBSRFBS-HXUWFJFHSA-N 426.557 3.880 0 40 IHAB CC[C@H](NS(=O)(=O)c1nnc(NC(=O)c2cccc(C)c2)s1)c1ccc(OC)cc1 225265438 RMGAVYXTWVETLJ-KRWDZBQOSA-N 446.554 3.537 0 40 IHAB C[C@@H](Oc1nn(-c2ccccc2)cc1Cl)C(=O)Nc1ccc(N2CCOCC2)cc1 227152841 GFHQYCAGSZAHNX-MRXNPFEDSA-N 426.904 3.768 0 40 IHAB CCNC(=O)C1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)[C@@H]2CCCO2)CC1 257212048 CBRYTJJTCOFYJA-FQEVSTJZSA-N 426.582 3.882 0 40 IHAB CNC(=O)[C@]1(c2ccccn2)CCCN(C(=O)C(C)(c2ccccc2)c2ccccc2)C1 257243461 IHBNRADTNVJSPA-HHHXNRCGSA-N 427.548 3.694 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1C(=O)N1CCCC1 408693433 UJBKZXKRLKYRRP-UHFFFAOYSA-N 428.432 3.751 0 40 IHAB C[C@H](NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1ccccc1 409390759 LIUQWOCMKPAOKT-INIZCTEOSA-N 428.485 3.883 0 40 IHAB O=C(CCCCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)Nc1cc[nH]n1 524732694 JQMQRDHHKLMRFJ-QFIPXVFZSA-N 429.480 3.724 0 40 IHAB COc1ccc(CCNC(=O)[C@@H]2CN(C)C[C@H]2c2ccc(CNC3CCCC3)cc2)cc1 585169187 CZRLDURDFZEVIG-IZZNHLLZSA-N 435.612 3.732 0 40 IHAB CCc1n[nH]cc1C(=O)N1CCN(CC)C(=O)[C@H](Cc2ccc(-c3ccccc3F)cc2)C1 585183579 CBDKGLUPKWFEMB-HXUWFJFHSA-N 448.542 3.941 0 40 IHAB Cc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 793003 RROCHKSLZYKSJH-UHFFFAOYSA-N 429.325 3.575 0 40 IHAB CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)O)cc2)cc1 1088064 YCXHTJUDKURKBK-WOJBJXKFSA-N 446.525 3.716 0 40 IHAB C[C@H]1CC(C)(C)N(C(=O)Cn2cnc3c(cnn3-c3ccccc3)c2=O)c2ccccc21 1330645 YOSUTVANWBOEAQ-KRWDZBQOSA-N 427.508 3.901 0 40 IHAB CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)s3)cc2)s1 1772140 GNPUIKMHAKFWSU-UHFFFAOYSA-N 428.948 3.869 0 40 IHAB COCCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@H]1c1ccc(O)c(OC)c1 2340683 ISQGOHVTSZVMGX-LJQANCHMSA-N 429.856 3.661 0 40 IHAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2c(Cl)cccc2Cl)c1 2617615 HXQBERVGDJRMLP-UHFFFAOYSA-N 436.700 3.846 0 40 IHAB CC[C@H](Sc1nc2ccccc2c2nc(-c3ccccc3)nn12)C(=O)NCCCOC 2969022 MFPHBMCHKYUPCG-IBGZPJMESA-N 435.553 3.968 0 40 IHAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccccc2NC(=O)c2ccco2)c1C 3426476 NFJSJDPZIWMCCE-UHFFFAOYSA-N 438.436 3.693 0 40 IHAB CN1C(=O)[C@@](O)(CC(=O)c2ccc(-n3cccc3)cc2)c2cc(Br)ccc21 4123020 UHCJTRPBZYPXJH-OAQYLSRUSA-N 425.282 3.677 0 40 IHAB CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2c(OC)cccc2OC)CC1 4125339 HPWKVUHODYZRLK-UHFFFAOYSA-N 431.920 3.668 0 40 IHAB CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1ncnc2sc(C)c(C)c12 6547647 QVCSKDVWAGHNLW-MRXNPFEDSA-N 429.567 3.691 0 40 IHAB CCc1ccccc1NC(=O)CSc1nnc(-c2ccc(OC)cc2)n1CCOC 6860757 QTZRNSRWWGERNK-UHFFFAOYSA-N 426.542 3.893 0 40 IHAB O=C(C1=NN(c2ccccc2)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12)c1ccccc1 8757176 NXTDRLQETVSXKY-TZIWHRDSSA-N 429.863 3.957 0 40 IHAB CCOC(=O)N1CCN(C(=O)Cc2c(C)c3c(cc(C)c4c(C)c(C)oc43)oc2=O)CC1 8991140 UYPWQRBCHSXJKH-UHFFFAOYSA-N 440.496 3.616 0 40 IHAB CN1C(=O)C(C)(C)COc2ccc(NS(=O)(=O)c3ccccc3Br)cc21 9169835 XVZAHPAHNRMUEW-UHFFFAOYSA-N 439.331 3.631 0 40 IHAB Cc1noc(C)c1COc1ccc(CC(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)cc1 9216894 HIAYQSKLCDOACS-MRXNPFEDSA-N 431.496 3.871 0 40 IHAB CCOc1cc(C)ccc1OCc1nnc(S[C@@H](C)C(=O)Nc2nccs2)n1C 9263571 QXHOHHGOUMHPLD-ZDUSSCGKSA-N 433.559 3.677 0 40 IHAB COc1ccc2c(CCNC(=O)CCN3C(=O)S/C(=C/c4ccco4)C3=O)c[nH]c2c1 9302708 VFZCSSSXULBLCH-XDHOZWIPSA-N 439.493 3.555 0 40 IHAB CC(C)NC(=O)COC(=O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1 9334383 ANUZXUFRKQOJIO-UHFFFAOYSA-N 431.945 3.898 0 40 IHAB COc1cc(S(=O)(=O)N2CCC[C@H]2c2nc3ccccc3s2)ccc1NC(C)=O 9390587 SOMHQXIKQPXKJM-KRWDZBQOSA-N 431.539 3.789 0 40 IHAB Cc1ccc(Cn2c(=O)n(CCC(=O)Nc3ccc(F)cc3)c(=O)c3sccc32)cc1 9410223 ZOZGAJOMXJFZFB-UHFFFAOYSA-N 437.496 3.749 0 40 IHAB COc1ccc(Oc2c(C)oc3cc(OCC(=O)NCc4cccnc4)ccc3c2=O)cc1 9423328 KJIPIEDGRFGWLN-UHFFFAOYSA-N 446.459 3.993 0 40 IHAB C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nnc3n(-c4ccccc4)c(=O)c4ccccc4n23)C1 9661897 GOEGXXAJMCNPIY-IAGOWNOFSA-N 447.564 3.630 0 40 IHAB CC(=O)N1C[C@@H](C(=O)N(C2=N[C@@H](C)CS2)c2ccc(Cl)cc2)Oc2ccccc21 9764462 OLGFBZIABGJQKA-DJJJIMSYSA-N 429.929 3.978 0 40 IHAB Nn1cnnc1SCC(=O)N(Cc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 9959960 MBSBOZOFDRGZCX-UHFFFAOYSA-N 431.993 3.735 0 40 IHAB Cc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)nn3)cc2)cc1 9972184 IXROLPSICDFIHU-UHFFFAOYSA-N 448.957 3.970 0 40 IHAB COc1cc(C(=O)N(C)Cc2cnn(Cc3ccccc3)c2)cc(OC)c1Br 11084052 KDGUSCPTKAQUCU-UHFFFAOYSA-N 444.329 3.983 0 40 IHAB COc1ccc(OCC(=O)N(Cc2ccccc2)Cc2nc3ccccc3c(=O)[nH]2)cc1 11749663 VXMFEGHNBOZVOX-UHFFFAOYSA-N 429.476 3.540 0 40 IHAB O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)N1CC[C@]2(O)CCCC[C@H]2C1 11867065 GLMODHLCNVGQDF-AFMDSPMNSA-N 433.504 3.992 0 40 IHAB biogenic CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)C(C)(C)C)c1 12342352 WNGFSYZLOAKKMJ-UHFFFAOYSA-N 437.540 3.810 0 40 IHAB CCCNC(=O)[C@H]1CN(C(=O)c2cccc(OCc3c(C)noc3C)c2)c2ccccc2O1 12688796 WLPCRJKJZOKRJO-HSZRJFAPSA-N 449.507 3.804 0 40 IHAB Cc1noc(C)c1CCC(=O)N[C@H](Cn1nc(-c2ccc(F)c(F)c2)ccc1=O)C(C)C 12737041 GNTDMSNUWJEVDM-OAQYLSRUSA-N 444.482 3.567 0 40 IHAB CN(C)[C@@H](CNC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)c1ccco1 12767623 HAQMZDPDJKWFFA-IBGZPJMESA-N 447.944 3.767 0 40 IHAB COc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)c(OC)c1 12772777 SNBQLYMSOJVRAI-QGZVFWFLSA-N 426.332 3.992 0 40 IHAB O=C(COCc1nc2ccccc2c(=O)[nH]1)N1Cc2ccccc2[C@H](c2ccccc2)C1 12823756 MVETZDYAXTVSAS-QFIPXVFZSA-N 425.488 3.614 0 40 IHAB CC(C)N1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)Nc1ccc(OC(F)F)cc1 12861055 LNAVKDWLKRQREV-JOCHJYFZSA-N 429.423 3.614 0 40 IHAB Cc1cc(C(=O)COC(=O)COc2ccc3c(c2)CCC(=O)N3)c(C)n1CCC(C)C 12882050 CULADQJDVBSIKP-UHFFFAOYSA-N 426.513 3.841 0 40 IHAB COc1ccc(CN(C(=O)CSc2nnc(Cc3csc(C)n3)o2)C2CC2)cc1 12900393 BJVBVCQTFMROHH-UHFFFAOYSA-N 430.555 3.717 0 40 IHAB O=C(C[C@@H]1SC(N2CCCCC2)=NC1=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 12949656 GSEZFYXNOYYMHZ-IBGZPJMESA-N 436.537 3.751 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3cc4cc(C)ccc4nc3C)CC2)c1 12989358 NIWJMVYHNNWAQC-UHFFFAOYSA-N 437.565 3.615 0 40 IHAB O=C(NCc1ccc(F)cc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCC1 13041649 ZTUHSGFEAYCFQP-UHFFFAOYSA-N 445.560 3.531 0 40 IHAB COc1cccc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4F)[nH]c(=O)c32)c1OC 13567353 RWFHAPUDAUXOJR-AWEZNQCLSA-N 441.484 3.693 0 40 IHAB Cn1c(=O)c2c(-c3ccc(C(C)(C)C)cc3)n3c(c2n(C)c1=O)[C@H](c1ccco1)OCC3 13572543 KFBULTKFQVBUTC-QFIPXVFZSA-N 433.508 3.716 0 40 IHAB O=C(Nc1cccc(Cl)c1)N1CCN(c2ccc(-c3ccc4c(c3)OCO4)nn2)CC1 13665189 RTJIRXXCXRTEOW-UHFFFAOYSA-N 437.887 3.880 0 40 IHAB O=c1c2c3c(sc2ncn1C[C@H](O)COc1ccc(Br)cc1)CCCC3 14184107 NAFNSHAAHDYHLJ-ZDUSSCGKSA-N 435.343 3.539 0 40 IHAB COc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1cc(Cl)c(OC)c(Cl)c1 17096295 PCGJRKJXHZNCJZ-UHFFFAOYSA-N 429.281 3.836 0 40 IHAB O=C(NCc1cccnc1)[C@@H]1CN(Cc2ccccc2)C[C@]12CCc1ccccc1C2=O 19372631 OJSBTBCSNNTPTO-RPLLCQBOSA-N 425.532 3.645 0 40 IHAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCN(CC(=O)NCCc4ccccc4)C3)cc2N1 19500906 QSHQDKWTXMNNIN-QWFCFKBJSA-N 449.521 3.729 0 40 IHAB COc1cccc([C@@H]2CN(C(=O)CN3CCC[C@@H]4CCCC[C@@H]43)C[C@H]2c2csnn2)c1 19566052 QMJIMUCGQNPFAB-JDLLUZBXSA-N 440.613 3.911 0 40 IHAB COc1cccc(CN2CCC([C@@H](NC(=O)c3ccccn3)c3ccccn3)CC2)c1OC 19567641 WPWZKVIATDVYAR-XMMPIXPASA-N 446.551 3.877 0 40 IHAB Cc1nc([C@@H]2CCCN(C(=O)C3CCCC3)C2)nc2c1CC(=O)N2CCc1ccccc1 19743819 MCHQQZOUJJQQQL-OAQYLSRUSA-N 432.568 3.813 0 40 IHAB CC1CCN(C(=O)CN2CCC([C@H]3CCCCN(CCc4ccccc4)C3=O)CC2)CC1 19744106 WXJVZFIWRBJKEP-RUZDIDTESA-N 439.644 3.828 0 40 IHAB CCc1nn(C)c(C(=O)N2CCC[C@@H](c3ncc(C(=O)Nc4ccccc4)c(C)n3)C2)c1C 19765318 OOAAPJQKNSAROZ-GOSISDBHSA-N 446.555 3.661 0 40 IHAB CN(Cc1ccc(/C=C/C(=O)Nc2cc(C(F)(F)F)ccc2Cl)o1)S(C)(=O)=O 20449957 ZLWRVVBANXPOCT-SOFGYWHQSA-N 436.839 3.995 0 40 IHAB O=C(NCCOc1ccc(Cl)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 21904442 YAXRRKKYMONZLA-UHFFFAOYSA-N 443.352 3.587 0 40 IHAB CCn1c(C)cc(O)c([C@@H](c2cccc(Cl)c2)N2CCN(c3ccccn3)CC2)c1=O 22697031 RWLVUMOERYQRNW-HSZRJFAPSA-N 438.959 3.842 0 40 IHAB CC(=O)Nc1cccc(-n2c(S[C@H](C(N)=O)c3ccc(F)cc3)nnc2C2CC2)c1 23139798 PFBSPOBKDDYNDN-SFHVURJKSA-N 425.489 3.561 0 40 IHAB COC(=O)c1ccc(CSc2nnc(N3CCN(c4ccc(F)cc4)CC3)s2)o1 23139858 JSQYRGUTLLUMCQ-UHFFFAOYSA-N 434.518 3.676 0 40 IHAB C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CN1CCN(Cc3ccc(Cl)s3)CC1)C2=O 23257520 UXGDXHGLGMPBEO-BTYIYWSLSA-N 439.025 3.613 0 40 IHAB COCCn1c(SCC(=O)Nc2cc(Cl)ccc2OC)nnc1-c1ccccc1 24773408 XLTHIOOYKFTFKM-UHFFFAOYSA-N 432.933 3.984 0 40 IHAB O=C(Nc1ccccc1C(=O)N1CCOCC1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 30939801 MRBTTYBGNLVBBN-LJQANCHMSA-N 441.959 3.663 0 40 IHAB COc1ccc2nc(-n3ncc4c3N=C(O)C[C@]43C(=O)Nc4ccc(F)cc43)sc2c1 32092987 SGWGDGDUHFKVEA-OAQYLSRUSA-N 435.440 3.860 0 40 IHAB Cc1cc(/C=C/C(=O)N2CCN(Cc3ccncc3)CC2)c(C)n1-c1ccnn1C(C)C 32721391 ATMDWHRDGULTPB-AATRIKPKSA-N 432.572 3.624 0 40 IHAB O=C(/C=C/c1cc(Br)ccc1F)NCc1ccccc1CN1CCOCC1 32741140 AEFBYHTUWOYQRY-VMPITWQZSA-N 433.321 3.750 0 40 IHAB O=C(Nc1cccc(CO)c1)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 32987852 GMINCQZBZXYAIW-UHFFFAOYSA-N 443.352 3.525 0 40 IHAB CCOc1ccc2[nH]c(=O)c([C@@H]3c4cc(OC)c(OC)cc4CCN3C(=O)CC)cc2c1 35313417 QSFVKRFXBUQJTI-DEOSSOPVSA-N 436.508 3.828 0 40 IHAB NC1=N[C@H](c2cc(Br)c(O)c(Br)c2)N2C(=N1)Nc1ccccc12 38185887 MZLQMEDFAHTZPY-ZDUSSCGKSA-N 437.095 3.532 0 40 IHAB CSc1cccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)c1 38852591 MWMZUFYVNIVPCU-IBGZPJMESA-N 434.583 3.872 0 40 IHAB Cc1cc(CN2CCN(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCCC3)CC2)on1 40103790 HTLBAUMUDQNEHK-UHFFFAOYSA-N 437.466 3.952 0 40 IHAB COc1ccc(CNc2nnc(S[C@@H](C)c3nnnn3-c3ccccc3)s2)cc1 40127815 SGGGKSWNAYQECG-ZDUSSCGKSA-N 425.543 3.988 0 40 IHAB CC[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccc(C(C)C)cc1)CC(=O)N2 40390441 ZNCCGRRQANXUNU-MSOLQXFVSA-N 437.544 3.727 0 40 IHAB CCN(Cc1ccco1)S(=O)(=O)c1nnc(NC(=O)c2ccc(C(C)(C)C)cc2)s1 41085550 ZOGCZBZHQQJWRU-UHFFFAOYSA-N 448.570 3.892 0 40 IHAB Cc1cc(C)cc(OCC(=O)Nc2cc(-c3ccccc3)nn2[C@@H]2CCS(=O)(=O)C2)c1 41156982 REYKZMAIGIRVBK-LJQANCHMSA-N 439.537 3.544 0 40 IHAB COC[C@H](C)NC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccc(C)cc3)ccc2s1 46058735 LIFBYFSDLPYRLF-HNNXBMFYSA-N 432.567 3.800 0 40 IHAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc4c(c3)C(=O)N3CCCC[C@H]3CCO4)CC2=O)cc1 49030387 VZGZZJNGJVZKGQ-ICSRJNTNSA-N 447.535 3.764 0 40 IHAB COc1cccc(CN(c2ccc(F)c(F)c2)S(=O)(=O)c2cccn3c(C)nnc23)c1 49405183 DKQLQYSJGVBJEC-UHFFFAOYSA-N 444.463 3.720 0 40 IHAB COc1ccc(OC)c(S(=O)(=O)N2CCC(Oc3nc4c(C)cccc4s3)CC2)c1 49443815 WWHPECJJIRCYOJ-UHFFFAOYSA-N 448.566 3.854 0 40 IHAB CCOC(=O)c1ccc(NC(=O)Nc2ccc(C(=O)NCCN(CC)CC)cc2)cc1 51354287 OGILZNWILIGSSY-UHFFFAOYSA-N 426.517 3.579 0 40 IHAB O=C1C[C@H](N2CCN(/C=C/c3ccccc3)CC2)C(=O)N1c1cc(Cl)cc(Cl)c1 51364660 NGDBTUSTPWCBRK-YJJPMGAVSA-N 430.335 3.914 0 40 IHAB COc1cc(COc2coc(CN3CCN(c4ccccc4)CC3)cc2=O)cc(OC)c1 56949944 OXHMEDKQNXHFJG-UHFFFAOYSA-N 436.508 3.558 0 40 IHAB Fc1ccc(-n2ncc3c(N4CCN(Cc5ccc(Cl)s5)CC4)ncnc32)cc1 57369584 RQNXIILVCFHACC-UHFFFAOYSA-N 428.924 3.992 0 40 IHAB CC(C)C[C@H](c1nnnn1Cc1ccc(F)cc1)N1CCN(c2ccccc2F)CC1 57670869 FIEYEUZAKGQNKG-JOCHJYFZSA-N 426.515 3.909 0 40 IHAB CN(C)C(=O)[C@H]1CCCN(C(=O)c2cccnc2Oc2cccc(Br)c2)C1 65474322 PLXJMMOGCXMZMU-AWEZNQCLSA-N 432.318 3.577 0 40 IHAB Cn1cc(-c2ccc(Cl)cc2)c2ncn(CC(=O)Nc3cc(F)ccc3F)c(=O)c21 67235799 IHAYJBXZQOHVNE-UHFFFAOYSA-N 428.826 3.972 0 40 IHAB O=S(=O)(N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1cc(Br)cnc1Cl 71818560 KGCPYSYJSKYVSR-ZFWWWQNUSA-N 449.729 3.835 0 40 IHAB COc1ccc(CN2CCC3(CC2)C[C@]2(CO3)NC(=O)c3cc(Cl)ccc3N2)cc1 72325571 WRAWGVUGNFNCSE-HSZRJFAPSA-N 427.932 3.655 0 40 IHAB CCc1nc2cccnc2n1C1CCN(C(=O)c2cc3c(OC)c(OC)ccc3[nH]2)CC1 72366004 PIBQKFHMAMPOOP-UHFFFAOYSA-N 433.512 3.970 0 40 IHAB COCCNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCN1C(=O)c1ccccn1 72370429 VZZISWQQRQJCMV-KRWDZBQOSA-N 437.565 3.910 0 40 IHAB O=C(CN1CC[C@@H](c2cc(CCOc3ccc(F)cc3)[nH]n2)C1)Nc1ccc(F)cc1 72371240 UEWWNOAHQHBHJM-MRXNPFEDSA-N 426.467 3.737 0 40 IHAB NC(=O)c1ccc(-c2cnc(N)nc2[C@H]2CCCCN2C(=O)CCc2ccc(F)cc2)cc1 72377271 HNAREQIOBQMESJ-OAQYLSRUSA-N 447.514 3.650 0 40 IHAB CC(=O)Nc1ccc(CC(=O)N2CCN(C(=O)OC(C)(C)C)CC23CCCCC3)cc1 78879428 HVPXXWMOSICAQV-UHFFFAOYSA-N 429.561 3.970 0 40 IHAB COc1ccc2c(C)c(CCC(=O)NC[C@@H]3CCCN4CCCC[C@H]34)c(=O)oc2c1C 79191951 BNENPFSHOGSPLL-GHTZIAJQSA-N 426.557 3.732 0 40 IHAB biogenic CN(CC(=O)NC1(c2cccc(Br)c2)CCOCC1)c1ccc(Cl)cn1 83857520 UKKDZYVPUZQDOS-UHFFFAOYSA-N 438.753 3.756 0 40 IHAB CCOc1ncc(C2(O)[C@H]3CCC[C@H]2CN(Cc2cccc4ncccc24)C3)c(OCC)n1 100149685 PGSQLUSPRJECJT-PMACEKPBSA-N 448.567 3.942 0 40 IHAB CC[C@H](C(=O)NCc1ccc(OC(C)C)c(OC)c1)N(c1ccc(C)cc1)S(C)(=O)=O 219096135 YQRWERQPIDOLQR-HXUWFJFHSA-N 448.585 3.652 0 40 IHAB C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N(c1ccccc1F)S(C)(=O)=O 220311204 CSWQISSZQLLFRK-QGZVFWFLSA-N 426.513 3.886 0 40 IHAB COC(=O)c1cn(C(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c2ccccc12 222597683 FVUGYHMYTJCJCM-ZDUSSCGKSA-N 434.901 3.576 0 40 IHAB CCC1(CC)C[C@@H](NC(=O)CN(Cc2ccc(C)cc2)S(C)(=O)=O)c2ccccc2O1 223799450 LITQKYXZDDBPAZ-OAQYLSRUSA-N 444.597 3.955 0 40 IHAB Cc1cccc(CN(C(=O)CCc2ccc3c(c2)OCCO3)[C@H](C)C(=O)NCC(C)C)c1 224171294 ZLMUSECJXYHOAC-HXUWFJFHSA-N 438.568 3.888 0 40 IHAB CCc1ccc(OCCNC(=O)CCCN(c2c(C)cc(C)cc2C)S(C)(=O)=O)cc1 224824249 RAYOPHHIIHVUQL-UHFFFAOYSA-N 446.613 3.916 0 40 IHAB O=C(COc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1)N1CCCCC1 225573701 GDDUPEVGJYKKPP-UHFFFAOYSA-N 440.515 3.904 0 40 IHAB COc1ccc(CCC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NCC(C)C)cc1OC 225690291 SWYKBPVGUYMKDH-GOSISDBHSA-N 444.547 3.965 0 40 IHAB O=C(Cn1ncc2ccccc2c1=O)N1CCCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 257237742 HHYLHBHHTWRBOF-JOCHJYFZSA-N 446.482 3.868 0 40 IHAB CCNC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)c2ccncc2)CC1 257265992 MBDYTFYUNFSJQG-UHFFFAOYSA-N 428.536 3.745 0 40 IHAB O=C(c1ccccc1Nc1ccccc1)N1CCOC[C@@H](Cc2ccc3nccn3n2)C1 257315280 VAPUJMVQFOODPF-IBGZPJMESA-N 427.508 3.804 0 40 IHAB CCCNC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(C(=O)[C@H]2CCCCO2)CC1 257316916 VHNZVSFTMDNHMW-XMMPIXPASA-N 449.595 3.995 0 40 IHAB CCN(Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1)S(=O)(=O)c1ccc(OC)cc1 260561596 LCUZMBJIMPRPGX-GREBRCKQSA-N 442.581 3.824 0 40 IHAB CC(C)n1nccc1[C@H]1CN(CC2CCCC2)C[C@]12OCCN(Cc1ccccc1)C2=O 306138720 SFRIYXKTQZIBOJ-BVAGGSTKSA-N 436.600 3.851 0 40 IHAB CCOc1ccc(S(=O)(=O)NCc2ccccn2)cc1NC(=O)c1cccc(Cl)c1 408556058 CAOHRULQHYDJQK-UHFFFAOYSA-N 445.928 3.865 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3)c(C)c2)cc1 408676441 OAWUVWOOMTWVIM-UHFFFAOYSA-N 426.494 3.822 0 40 IHAB CCc1ccccc1NC(=O)C1CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)CC1 409023343 KPGRTLXNLOOORP-UHFFFAOYSA-N 426.513 3.766 0 40 IHAB Cc1cc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccccc3C)C2)ccc1Br 409125963 DIUGYJFRFRDEMD-HNNXBMFYSA-N 445.313 3.601 0 40 IHAB CCn1c(CNC(=O)c2ccccc2C)nn(CC(=O)Nc2cccc(C)c2C)c1=S 409152246 IPORHNHBKUJHGZ-UHFFFAOYSA-N 437.569 3.928 0 40 IHAB COCCCN1C(=O)S/C(=C/c2cc(Br)c(Br)o2)C1=O 409249677 KXUARKZCZGHPIU-RMKNXTFCSA-N 425.098 3.877 0 40 IHAB O=C(CN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O)Nc1ccc(F)c(F)c1F 409363265 VIKAYUJTKGZQKC-MKMNVTDBSA-N 436.367 3.508 0 40 IHAB COc1cc(C(=O)N2CCNC(=O)[C@@H]2c2ccccc2C(F)(F)F)ccc1OC(C)C 541063603 DTQYCSZANNADST-IBGZPJMESA-N 436.430 3.815 0 40 IHAB O=S(=O)(NC[C@H](O)c1ccc(-c2ccsc2)o1)c1ccc(OC(F)(F)F)cc1 575610179 LPQVLFFHCJJDOL-AWEZNQCLSA-N 433.429 3.919 0 40 IHAB Cc1ccc(N2C[C@H](C(=O)N3Cc4ccccc4[C@H](c4cnn(C)c4)C3)CC2=O)cc1C 575619481 MHVGXVRTNLESDB-YKSBVNFPSA-N 428.536 3.564 0 40 IHAB OC[C@H]1[C@H](O)C[C@@H](NC2CCCCC2)[C@@H]1Cc1ccnc(-c2cccc(C(F)(F)F)c2)n1 604382720 ZUIWNJNBMHEDBR-GXRSIYKFSA-N 449.517 3.985 0 40 IHAB biogenic,in-vitro COC(=O)C[C@H](c1ccc(-c2ccccc2)o1)c1c(O)cc(C)n(CCc2cnc[nH]2)c1=O 604418784 CNGKYJYDNOYPIF-LJQANCHMSA-N 447.491 3.783 0 40 IHAB CCCCN1CCOc2ccccc2CCCC[C@@]2(CN(C(=O)CC3CC3)CCO2)C1=O 643555547 AZDXEFFSNJMSDB-AREMUKBSSA-N 442.600 3.818 0 40 IHAB Cc1nc(C)c(-c2ccc(=O)n(CC3CCN(c4cnc5ccccc5n4)CC3)n2)s1 1888941691 XGZAODQFMRFDBL-UHFFFAOYSA-N 432.553 3.843 0 40 IHAB Cc1ccc(C)c(N2C[C@@H](C(=O)Nc3ccc(I)cc3)CC2=O)c1 827192 JRUHLKZPWANPNB-AWEZNQCLSA-N 434.277 3.900 0 40 IHAB COc1ccc(Cl)cc1N(CC(=O)NCc1ccco1)S(=O)(=O)c1ccc(C)cc1 878886 HPWKAKLVZVVLNS-UHFFFAOYSA-N 448.928 3.762 0 40 IHAB COc1ccc(S(=O)(=O)N(Cc2cccnc2)Cc2cc3cccc(C)c3[nH]c2=O)cc1 923459 SURBRVLEWADWKT-UHFFFAOYSA-N 449.532 3.631 0 40 IHAB CC(C)Oc1ccc(C(=O)N[C@@]2(C(F)(F)F)NC(=O)N(C3CCCCCC3)C2=O)cc1 2595211 AZTSYTGQLTXUKG-HXUWFJFHSA-N 441.450 3.737 0 40 IHAB C[C@H]1Cc2ccccc2N1C(=O)CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O 2647595 MJKMKJDXOUYAFS-UZTOHYMASA-N 439.515 3.654 0 40 IHAB CCNC(=O)CSc1nnc(-c2ccccc2Br)n1Cc1ccccc1 3328610 TXHJJIBWAUWKTK-UHFFFAOYSA-N 431.359 3.984 0 40 IHAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 3343453 IOHYLDBTAUZOMB-UHFFFAOYSA-N 437.340 3.917 0 40 IHAB O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)NCC1(N2CCCCC2)CCCCC1 3432788 BBXLCHHFEUJSPT-UHFFFAOYSA-N 438.568 3.966 0 40 IHAB COc1ccc(CCN2C[C@H](C(=O)Nc3nc4ccc(C)cc4s3)CC2=O)cc1OC 3447625 ULSGLXIIAIBIHR-MRXNPFEDSA-N 439.537 3.652 0 40 IHAB CCc1ccc([C@H]2[C@H](C(=O)OC(C)(C)C)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OC(C)(C)C)cc1 4112432 AHHPOYJXGWZWQZ-PBQROFAYSA-N 432.557 3.972 0 40 IHAB O=C(CSc1nnc(CN2CCCC2)n1-c1ccccc1)Nc1cccnc1Cl 8725769 VRXYAWIYFATCKD-UHFFFAOYSA-N 428.949 3.642 0 40 IHAB CN(C[C@H]1COc2ccccc2O1)C(=O)CN1CCC(c2nc3ccccc3s2)CC1 9057951 VPXPNJKCWRHERV-SFHVURJKSA-N 437.565 3.774 0 40 IHAB Cc1nc(N2CCN(C(=O)c3ccco3)CC2)nc2c1C(=O)C[C@@H](/C=C/c1ccccc1)C2 9190006 SPTQPPLJPKRMCQ-XTXLJPNXSA-N 442.519 3.799 0 40 IHAB CCOC(=O)C1=NN[C@]2(CCc3ccccc3C2=O)[C@@H]1c1ccc(Br)cc1 9216365 VWXLTEARPYDCAD-DYESRHJHSA-N 427.298 3.623 0 40 IHAB O=C(Nn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)c1ccc(-c2ccccc2)cc1 9563001 KGMMDQOPWNYPEA-UHFFFAOYSA-N 425.423 3.772 0 40 IHAB COc1cccc(C(=O)NCCc2csc3nc(-c4ccc(F)cc4)nn23)c1OC 9568911 SPFYTDWCEAWNRH-UHFFFAOYSA-N 426.473 3.587 0 40 IHAB COc1cccc(CNC(=O)CSc2ccc(-c3ccc(-n4ccnc4)cc3)nn2)c1 9712909 OOZNIMYAABZZJD-UHFFFAOYSA-N 431.521 3.746 0 40 IHAB CCCCN1C(=O)c2ccc(C(=O)Nc3sc4c(c3C(N)=O)CC[C@@H](C)C4)cc2C1=O 9961707 YRXIITIUAZSRLE-GFCCVEGCSA-N 439.537 3.620 0 40 IHAB O=C(COc1cccc2ccccc12)OCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 11599540 DLGXISGXFCBHBU-UHFFFAOYSA-N 446.503 3.639 0 40 IHAB CN(C)c1ccc(NC(=O)CN2C(=O)C(C)(C)Oc3ccc(C(=O)c4ccco4)cc32)cc1 12220922 CJGYTKQQAFMMNQ-UHFFFAOYSA-N 447.491 3.719 0 40 IHAB COc1cc(NC(=O)Cn2c(S)nnc2-c2ccc(Cl)cc2)cc(OC)c1OC 12766550 AOFDQSLAFCMYMO-UHFFFAOYSA-N 434.905 3.552 0 40 IHAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)C1CCN(c2ccc3nnnn3n2)CC1 12849350 RMATYRAKTHFZCA-UHFFFAOYSA-N 449.902 3.820 0 40 IHAB Nc1nc(SCC(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)n[nH]1 12850444 KLUBAIIREQCJAE-UHFFFAOYSA-N 440.529 3.975 0 40 IHAB C[C@H](c1ccccc1)N1C[C@@H](C(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)CC1=O 12919613 PFGIPDIFLFBUNW-HIFRSBDPSA-N 434.323 3.658 0 40 IHAB Cc1c(CCC(=O)NC[C@@H](CC(=O)O)c2ccc(Cl)cc2)c(=O)oc2cc(O)ccc12 13569438 JKNPJCOVCGNUOV-OAHLLOKOSA-N 443.883 3.768 0 40 IHAB CSCC[C@@H](NC(=O)N1CC(O)=Nc2ccccc21)C(=O)NCc1cccc(Cl)c1 13571435 MBZNVVBUPITQIN-QGZVFWFLSA-N 446.960 3.896 0 40 IHAB CCc1ccc(OC)c(S(=O)(=O)Nc2ccc(CC(=O)NCc3cccs3)cc2)c1 13850452 XXRLMYDTOUHKOY-UHFFFAOYSA-N 444.578 3.979 0 40 IHAB COc1ccc(N2C[C@@H](c3nnc(NC(=O)c4ccc(Cl)cc4)s3)CC2=O)cc1 13944224 ILPXUJBFPZGMRR-ZDUSSCGKSA-N 428.901 3.973 0 40 IHAB COc1cc(C)c(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1OC 14123106 STBRSQRDFWHYGC-UHFFFAOYSA-N 432.542 3.748 0 40 IHAB O=C(Nc1ccccc1F)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 14493780 USVYJGBLUYQUSR-UHFFFAOYSA-N 430.423 3.884 0 40 IHAB Cc1ccc2oc(C(=O)N(Cc3ccc(Cl)cc3)[C@@H]3CCS(=O)(=O)C3)cc(=O)c2c1 15831130 KGBCVIRPZPMSAS-QGZVFWFLSA-N 445.924 3.584 0 40 IHAB CCOC(=O)C1=C(COC(=O)Cc2coc3cc(C)ccc23)NC(=O)N[C@@H]1c1ccccc1 16045531 CCUGYJWQKNDSOS-HSZRJFAPSA-N 448.475 3.698 0 40 IHAB COCCN(CCOC)C(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc12 16050601 HOWZVOUOITZJQU-UHFFFAOYSA-N 429.517 3.649 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3S(=O)(=O)c2cccs2)cc1 17051017 VBGIAGLGFWYDCP-UHFFFAOYSA-N 448.591 3.999 0 40 IHAB COc1ccccc1N1CCN(c2nc(Nc3ccc(F)cc3)c3cnn(C)c3n2)CC1 17148934 BAYMTXRFFLKQBA-UHFFFAOYSA-N 433.491 3.581 0 40 IHAB CS(=O)(=O)N1CCc2cc(C(=O)OCC(=O)c3ccc(-c4ccccc4)cc3)ccc21 17191402 HHFCHRZHTAQKAG-UHFFFAOYSA-N 435.501 3.715 0 40 IHAB CCn1ncc(CN2CCC[C@@H]([C@@H](NC(=O)c3ccccc3OC)c3ccccn3)C2)c1C 19523936 ZMWMGFAFRVEDCI-CJFMBICVSA-N 447.583 3.998 0 40 IHAB CCN(CC)C(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)[C@H]2CCCO2)C1 19526174 VPLJGNVLHMKKIV-ZEQKJWHPSA-N 435.568 3.557 0 40 IHAB COc1cccc(OC)c1C(=O)N1CCC(Cn2nc(-c3ccccc3)c(C)cc2=O)CC1 19566579 PZULZGSUALYQGY-UHFFFAOYSA-N 447.535 3.788 0 40 IHAB Cc1ncc(C(=O)Nc2ccccc2)c([C@@H]2CCCCN2CC(=O)Nc2nccs2)n1 19767232 SLHSEDFSXIJUDE-SFHVURJKSA-N 436.541 3.660 0 40 IHAB COc1ccc2[nH]cc([C@H](C(=O)O)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c2c1 20737393 PEABIIVPQAZMGJ-LJQANCHMSA-N 434.418 3.538 0 40 IHAB CCCOc1ccccc1CCCNC(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 22329585 JBZVCJLJOORZKS-UHFFFAOYSA-N 432.586 3.607 0 40 IHAB Cc1cccc(C)c1N(CC(=O)NCCCc1ccc(OC(C)C)cc1)S(C)(=O)=O 22338545 UHRZFVDXSYMTOO-UHFFFAOYSA-N 432.586 3.606 0 40 IHAB CCOc1ccc(CNC(=O)CN(c2ccccc2F)S(=O)(=O)c2cccs2)cc1 22396013 YASWRLJRRNNOOG-UHFFFAOYSA-N 448.541 3.798 0 40 IHAB COc1ccc(OC)c2sc(N(CCCN3CCOCC3)C(=O)c3cccs3)nc12 22997839 HVPXUQQHUHFJOH-UHFFFAOYSA-N 447.582 3.744 0 40 IHAB Cc1nc2ccccc2n1CCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21 24381912 PSZDCCGALVHZOE-RTWAWAEBSA-N 430.552 3.857 0 40 IHAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)N[C@H](C)CCc3ccccc3)CC2)cc1 24609323 IOFYEPXMFNZZHJ-HXUWFJFHSA-N 428.598 3.674 0 40 IHAB COc1ccc(CN2CCN(C(=O)CCc3ncc(-c4ccc(F)cc4)o3)CC2)cc1F 24752635 SBMJEQAQAHMANS-UHFFFAOYSA-N 441.478 3.905 0 40 IHAB CCCn1c(NC(=O)c2ccccc2S[C@@H]2CCS(=O)(=O)C2)nc2ccccc21 26767742 FMHIFYORQNMIPW-OAHLLOKOSA-N 429.567 3.978 0 40 IHAB O=C1c2ccc(C(=O)N3CCC[C@@H]3c3nnc4ccccn34)cc2C(=O)N1C1CCCCC1 27160800 TVNCIPZUDJCRPK-HXUWFJFHSA-N 443.507 3.635 0 40 IHAB CCCCOc1cccc(C(=O)Nc2nnc(S(=O)(=O)Cc3ccccc3)s2)c1 27748493 UOXMKGCIPNPXRN-UHFFFAOYSA-N 431.539 3.943 0 40 IHAB O=C(c1cc(=O)c2ccc(Br)cc2o1)N(Cc1ccco1)C[C@@H]1CCCO1 27994577 IRHWXAWEEJSIGK-HNNXBMFYSA-N 432.270 3.970 0 40 IHAB O=C(NCCOc1cccc(F)c1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 31146650 QTSJJVVXTKXCKP-UHFFFAOYSA-N 446.832 3.804 0 40 IHAB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)NC[C@@H](c1cccs1)N1CCCC1 32761183 XRHLUPSXIAEYEM-PXNSSMCTSA-N 435.540 3.734 0 40 IHAB O=C(NCc1cnn(-c2ccccc2)c1)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 32907972 AABHVWNSXAZVKQ-KROKWJMESA-N 432.568 3.696 0 40 IHAB O=C(CCc1ccccc1)NC1CCN(C(=O)Cc2ccc(Br)cc2)CC1 32924941 GPUGCSSKSISRBG-UHFFFAOYSA-N 429.358 3.732 0 40 IHAB COC(=O)[C@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1cccc(Cl)c1Cl)C(C)C 36589861 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COc1ccc([C@H]2SCC(=O)Nc3c2c(O)nn3[C@@H]2CCOC(C)(C)C2)cc1OC 96116706 IXCIPJWUUATRFN-FZKQIMNGSA-N 433.530 3.511 0 40 IHAB CC(C)CCN1[C@H]2CCN(C(=O)c3ccccc3)CC[C@@H]2Oc2ccccc2S1(=O)=O 96145817 ODXXJNISVSPTLH-SFTDATJTSA-N 442.581 3.789 0 40 IHAB COc1cc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)ccc1OC(=O)c1cccs1 96663449 PDSYBGKGIWLZCG-XNTDXEJSSA-N 449.531 3.652 0 40 IHAB O=C(O)c1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccccc4F)[C@H]3C2=O)cc1 102763066 MDYBRCHPMKMXDC-NJYVYQBISA-N 432.407 3.575 0 40 IHAB CCNC(=O)NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccccc1)CC2 103085120 RTQXAAZLIRPKJX-VKAVYKQESA-N 429.476 3.724 0 40 IHAB CC(C)c1ccc(NC(=O)[C@@H](C)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)cc1 104883437 HDKYXMMRUSNBPA-QZTJIDSGSA-N 436.556 3.833 0 40 IHAB CCOc1ccccc1N(CC(=O)NCC(C)C)S(=O)(=O)c1ccc(SC)cc1 113937348 DKUITHWRTJFFLN-UHFFFAOYSA-N 436.599 3.775 0 40 IHAB CCOc1ccc(CCCNC(=O)CCCN(c2cccc(C)c2)S(C)(=O)=O)cc1 219622022 TYUBQYBYAPBVGM-UHFFFAOYSA-N 432.586 3.689 0 40 IHAB C[C@@H](C(=O)NCCCc1ccccc1Cl)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220456825 FOQTWCSVIKDNFL-ZDUSSCGKSA-N 430.904 3.522 0 40 IHAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN(C)C)c(C)n1Cc1ccncc1 223214718 UZIGNWICPOVFEI-RPWUZVMVSA-N 448.640 3.867 0 40 IHAB CC[C@@H](C(=O)NCCOc1ccc2ccccc2c1)N(c1ccccc1)S(C)(=O)=O 223616325 MKULKXGDPXXFLD-QFIPXVFZSA-N 426.538 3.580 0 40 IHAB Cc1ccccc1CN(c1ccc(C(=O)NCCOc2ccccc2)cc1)S(C)(=O)=O 223842296 WMZJKZJTARIOTC-UHFFFAOYSA-N 438.549 3.770 0 40 IHAB CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCCN1C(=O)c2cccc3cccc1c23 225436312 HRIPOCIFLCYHCI-QGZVFWFLSA-N 447.510 3.883 0 40 IHAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)COc1ccc(F)cc1 225546373 GHROZZASMDASDU-XMMPIXPASA-N 434.511 3.899 0 40 IHAB CC[C@H](C(=O)NCc1cccc(C(F)(F)F)c1)N(c1ccc(C)cc1)S(C)(=O)=O 225648031 CWTAYXUBAFEFBD-GOSISDBHSA-N 428.476 3.875 0 40 IHAB CC(C)(C)CNC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1 226064485 SUUYPZVGSJHWBG-UHFFFAOYSA-N 426.941 3.832 0 40 IHAB COc1ccccc1-c1nc2sc(=Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2n1 254301924 MZMJDRSOFVAXQY-UHFFFAOYSA-N 446.444 3.543 0 40 IHAB C[C@]12C[C@@H](c3ccccc3)C[C@](CO)(CC[C@@H](NC(=O)C3CCC(F)(F)CC3)[C@@H]1O)O2 257328797 XHDYGNMQTUXDLD-IDNQLYMWSA-N 437.527 3.535 0 40 IHAB COC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC3CCCCC3)c2)cc1 408553349 VGUWGXHHMHDNKX-UHFFFAOYSA-N 430.526 3.645 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)N3CCCCCC3)cc2)cc1OC 408594921 PXGCSJJSQXYFLS-UHFFFAOYSA-N 433.530 3.913 0 40 IHAB CCOc1cc(Br)c(/C=C2/SC(=O)N(CCOC)C2=O)cc1OCC 409133559 MWVPXKKFIWGWOI-OQLLNIDSSA-N 430.320 3.929 0 40 IHAB COC(=O)[C@H](CNC(=O)C(C)(C)c1ccc(Br)cc1)Oc1ccc(F)cc1 534770799 FPGFTWPIZDQUNM-KRWDZBQOSA-N 438.293 3.603 0 40 IHAB CCOC(=O)c1c(NC(=O)c2cccc(C)c2Br)sc(C(=O)NC)c1C 536078255 NVXSGCVIHRPBNY-UHFFFAOYSA-N 439.331 3.916 0 40 IHAB Cc1ccc(OCC2(O)CCN(Cc3ccc(OCCn4ccc(C)n4)cc3)CC2)cc1 585271780 CTDQZFOEOYTISD-UHFFFAOYSA-N 435.568 3.985 0 40 IHAB CN(CC(=O)Nc1cccc(Cl)c1)C(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1 606768205 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CCc1ccc2occ(CC(=O)N(Cc3ccc(OC)cc3)[C@@H]3CCS(=O)(=O)C3)c2c1 8869300 ZQSISQKELILCTQ-HXUWFJFHSA-N 441.549 3.762 0 40 IHAB Cc1cccc(C)c1N1CCc2cnn(S(=O)(=O)c3ccc(N4CCCC4=O)cc3)c21 8916575 FWBUKLINOIFFFZ-UHFFFAOYSA-N 436.537 3.558 0 40 IHAB CCOc1ccc([C@@H]2Nn3c(CC)nnc3S[C@H]2C(=O)Nc2cccc(OC)c2)cc1 9197738 XQWCPPHNTSRZGD-VQTJNVASSA-N 439.541 3.646 0 40 IHAB O=C(CCCNC1=NS(=O)(=O)c2ccccc21)N[C@H](Cc1ccccc1)c1ccccc1 9253896 OQGGHHVIMVLVLQ-JOCHJYFZSA-N 447.560 3.606 0 40 IHAB C[C@@H](OC(=O)CNC(=O)c1cccs1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 9283375 PRTDIBXBIAAKPG-SECBINFHSA-N 434.823 3.721 0 40 IHAB CC[C@H](Sc1nc2nccnc2c(=O)n1Cc1ccccc1)C(=O)NC1CCCCC1 9405104 PPIYDLKHTUNVOI-SFHVURJKSA-N 437.569 3.554 0 40 IHAB CC(C)[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(Cl)cc1 9633163 VYTDLJRQSLYKHR-FQEVSTJZSA-N 436.961 3.739 0 40 IHAB COc1ccc(C(=O)Nc2ccc(N(C)C)cc2)cc1S(=O)(=O)N1CCCC[C@H]1C 9637973 CUCNPOJWUBVZGY-MRXNPFEDSA-N 431.558 3.577 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(-n3c(C)nc4ccccc4c3=O)cc2C)cc1 9715054 LJPWNQUQJRNOOY-UHFFFAOYSA-N 435.505 3.812 0 40 IHAB COc1cc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)ccc1OCC(C)C 9956708 IWMHVWXMGXNCDA-UHFFFAOYSA-N 434.539 3.996 0 40 IHAB Cc1cccc(Cn2c(SCCCc3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)c1 10105211 MABYFFKAWVSYAG-UHFFFAOYSA-N 434.565 3.515 0 40 IHAB COc1ccc(F)cc1C(=O)COC(=O)c1cc(OC)c(Br)c(OC)c1 10803454 LRENRHBZUUKJDJ-UHFFFAOYSA-N 427.222 3.654 0 40 IHAB C[C@H](NC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)c1ccccc1 11363844 PIUYPXUTSDKKIW-SCTDSRPQSA-N 437.565 3.934 0 40 IHAB COc1cc([C@H]2C(C(N)=O)=C(C)N=C3N=NNN32)ccc1OCc1ccc(C(C)(C)C)cc1 11990352 UJBKWKSNHFBNFC-NRFANRHFSA-N 448.527 3.929 0 40 IHAB COc1ccccc1C1(NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)CCCC1 12143074 WGBXBDNTNWHMNM-UHFFFAOYSA-N 428.554 3.825 0 40 IHAB O=C(N[C@]1(C(F)(F)F)N=C(c2ccccc2)N(Cc2ccco2)C1=O)c1ccccc1 12376095 BQCZUWKNPWVRAK-OAQYLSRUSA-N 427.382 3.757 0 40 IHAB O=C1c2ccccc2N[C@H](c2ccc(-n3cncn3)cc2)N1c1ccc2c(c1)OCCO2 12527662 BBWPYBUMKDBFBA-QHCPKHFHSA-N 425.448 3.810 0 40 IHAB CCOc1cc2c(cc1NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)O[C@H](C)C2 12802515 JACHXMRLZDGUHW-GFCCVEGCSA-N 438.933 3.565 0 40 IHAB C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)c1ccc(F)c(F)c1 12920264 IBZCYWYBSKWIOZ-OAHLLOKOSA-N 448.535 3.732 0 40 IHAB COc1ccc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)cc1C(=O)N1CCCCC1 13568856 JUUVAJWJOFLWIJ-UHFFFAOYSA-N 432.586 3.568 0 40 IHAB COc1ccccc1C(=O)Nc1ccc2c(c1)nc(CNC(=O)c1ccc(Cl)nc1)n2C 13687067 IUPSIXHBXNYDJE-UHFFFAOYSA-N 449.898 3.813 0 40 IHAB CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 13792715 VRWIJAUMZBWKNN-AWEZNQCLSA-N 434.370 3.870 0 40 IHAB O=C(COc1ccccc1)Nc1nnc([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)s1 13944417 BQCRAUURHKZNSU-CYBMUJFWSA-N 428.901 3.730 0 40 IHAB CC(C)NS(=O)(=O)c1ccc(C(=O)N(C)Cc2ccccc2N2CCCCC2)cc1 16175901 MMQKFAOAZPGSLW-UHFFFAOYSA-N 429.586 3.636 0 40 IHAB CCCCn1c(SCc2ccc(C(=O)OC)cc2)nc2ccc(S(N)(=O)=O)cc21 16678155 KWMVNNWFZKEXTA-UHFFFAOYSA-N 433.555 3.563 0 40 IHAB CC(C)C(=O)N1CCC(c2nc([C@H]3CCCN(Cc4ccccc4F)C3)cc(=O)[nH]2)CC1 19085357 PZZLGFHUMQTINP-FQEVSTJZSA-N 440.563 3.651 0 40 IHAB COc1ccc([C@@H](c2nnnn2CCc2ccccc2)N2CCN(C3CCCC3)CC2)cc1 19553486 GBEICOCUEFDHJG-VWLOTQADSA-N 446.599 3.574 0 40 IHAB COc1ccc(CN2CCc3nc([C@@H]4CCCN4C(=O)[C@H]4CC=CCC4)nc(O)c3C2)cc1 19555502 BNQWYXJCFUPZJG-CVDCTZTESA-N 448.567 3.769 0 40 IHAB CNc1nc(C)c(C(=O)NCCn2nc(-c3cccnc3)cc2-c2cccc(OC)c2)s1 19560930 WVOKBJAHEWPYFR-UHFFFAOYSA-N 448.552 3.857 0 40 IHAB COc1cccc(C(=O)N2CCC[C@](Cc3ccc(-c4cccnc4)cc3)(C(N)=O)C2)c1 19564326 GDUITNCKSPDJCL-AREMUKBSSA-N 429.520 3.708 0 40 IHAB COc1cccc(CN2CCNC(=O)[C@H](Cc3cccc(-c4cccnc4)c3)C2)c1OC 19568000 RVJRFHDWOTXHRP-HSZRJFAPSA-N 431.536 3.557 0 40 IHAB Cn1cc(C(=O)N2CCO[C@@H](c3ccc(Cc4cccc(C(F)(F)F)c4)cn3)C2)cn1 19692244 DBMOJCCGRPOMIY-HXUWFJFHSA-N 430.430 3.638 0 40 IHAB Cc1noc(C)c1CC(=O)N1CCC(c2nc(N(C)C)ncc2-c2ccccc2F)CC1 19695233 KWMXNYTYWOODRK-UHFFFAOYSA-N 437.519 3.902 0 40 IHAB Cc1nc(C2CCN(C(=O)CC[C@@H]3CCCO3)CC2)nc2c1CCCN2Cc1ccccn1 19706673 KOSOKVHZWSJEQS-QFIPXVFZSA-N 449.599 3.798 0 40 IHAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)c(F)c2)cc1 20019810 VBPILQDMMCIMSY-UHFFFAOYSA-N 446.475 3.803 0 40 IHAB COc1ccc([C@H](C)NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCCCC3)c2)cc1 20025103 AHVHLQHTHPMCEG-KRWDZBQOSA-N 446.569 3.760 0 40 IHAB CCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)c(OC)c2)cc1 20152820 ULNUJNAVYTXSGN-UHFFFAOYSA-N 426.494 3.973 0 40 IHAB Cc1cc(S(=O)(=O)NCCSCc2cccc(Cl)c2)ccc1N1CCCC1=O 20452737 RLJLPNWZDUQFJB-UHFFFAOYSA-N 439.002 3.987 0 40 IHAB O=C(CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O)Nc1ccccc1C(F)(F)F 20794980 LDDOWSCPSBPMHW-NRFANRHFSA-N 431.414 3.818 0 40 IHAB C[C@H](Sc1nnc(C2CC2)n1Cc1ccco1)C(=O)Nc1ccc2c(c1)OCCO2 21685228 JNKQZJMFFORPDE-ZDUSSCGKSA-N 426.498 3.687 0 40 IHAB C[C@H](NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1 22539684 GALLBVBOOYEKJI-KSFYIVLOSA-N 444.503 3.732 0 40 IHAB COc1ccc(OCCN2CCN([C@@H](C)C(=O)Nc3ccc(C(C)C)cc3)CC2)cc1 22820728 HREGSVGETNXYGE-FQEVSTJZSA-N 425.573 3.842 0 40 IHAB O=C(Nc1cccc(-c2ccn[nH]2)c1)[C@H]1CC(=O)N(c2ccccc2Br)C1 24894086 SFFWUPPUYJDRCI-AWEZNQCLSA-N 425.286 3.831 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCOc3ccc(F)cc3)cc2)cc1 29296744 TVJQQUPKFDLQAQ-UHFFFAOYSA-N 442.512 3.768 0 40 IHAB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)c1ccccc1NC(=O)CSc1nnnn1C 34863355 RVLRAAOTKCFQBD-HDMKZQKVSA-N 431.562 3.559 0 40 IHAB Cc1ccc(O[C@H](C)C(=O)Nc2cccc(OCc3cc(=O)n4oc(C)cc4n3)c2)cc1 35378591 HTYKUOFQXNUFCJ-QGZVFWFLSA-N 433.464 3.889 0 40 IHAB COc1c(C(=O)N2CCCC2)cn(C)c1-c1nc2cc(NC(=O)CC(C)C)ccc2n1C 36369856 PSYXNDZIJNQLSH-UHFFFAOYSA-N 437.544 3.808 0 40 IHAB biogenic O=C(CSc1ccc(F)cc1)NCC[C@H]1CCCCN1S(=O)(=O)c1cccs1 38561679 HCJKHXWUDMLCDE-MRXNPFEDSA-N 442.603 3.729 0 40 IHAB COc1ccc(OCc2nc(C)cc(=O)n2CC(=O)Nc2ccc(C)cc2Cl)cc1 51319379 FTTXRUARZCEAPW-UHFFFAOYSA-N 427.888 3.740 0 40 IHAB O=C(c1ccc(OCc2cn3ccccc3n2)cc1)N1CCN(Cc2ccsc2)CC1 57331670 CJOMYKFFLBPJAO-UHFFFAOYSA-N 432.549 3.933 0 40 IHAB C[C@@H](NCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc2ccccc12 58171208 OHERXACTJVCZRV-GOSISDBHSA-N 437.565 3.914 0 40 IHAB COc1ccccc1NC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(C)cc1 58192005 VJVBMRAZTRHHMF-JOCHJYFZSA-N 436.533 3.758 0 40 IHAB CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)Nc2ccc(C(=O)NC)cc2C)CC1 58357007 GZGLZCSNNLQDKQ-KRWDZBQOSA-N 441.551 3.518 0 40 IHAB COc1ccc(Cl)cc1NC(=O)C1CCN(c2ccc(-n3nc(C)cc3C)nn2)CC1 62163511 QJRRUKZBVSHQLS-UHFFFAOYSA-N 440.935 3.796 0 40 IHAB Cc1cc2c(cc1-c1nnc(SCC(=O)Nc3ccc(F)cc3)n1C)OCCCO2 64987129 ORTNESSNPBALAQ-UHFFFAOYSA-N 428.489 3.822 0 40 IHAB Cc1cc(-c2cc(=O)n(CC(=O)NCCc3ccccc3)nc2-c2ccc(C)s2)on1 72337635 GCNGZFUNAYLMHG-UHFFFAOYSA-N 434.521 3.603 0 40 IHAB O=C1CN(C(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)CN1Cc1ccccc1 89835019 CFKXDJZJGWRLIC-UHFFFAOYSA-N 447.560 3.694 0 40 IHAB CC(C)N1C(=O)C[C@@H](C(=O)NCCc2cn3ccccc3n2)[C@H]1c1ccc(Cl)c(F)c1 95988719 QYIBFUIZMLJZFA-VGOFRKELSA-N 442.922 3.784 0 40 IHAB COC(=O)c1sccc1S(=O)(=O)Nc1ccccc1Cc1nc(-c2ccco2)no1 96119717 YTIZCCBNBDQKOO-UHFFFAOYSA-N 445.478 3.569 0 40 IHAB COc1ccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@H]6C[C@H]56)[C@H]4C3=O)c2)c(OC)c1 100877972 XBURRTUYWLXGOK-FXSVLNLJSA-N 444.487 3.514 0 40 IHAB CN(CCCNC(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccccc1 219637165 ARQVMFTZOBLBPF-UHFFFAOYSA-N 437.993 3.529 0 40 IHAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H](C)N(c1ccccc1F)S(C)(=O)=O 220320147 MSHMTMVNNLBYEM-QAPCUYQASA-N 434.533 3.707 0 40 IHAB CC[C@@H](C(=O)n1cc(C(=O)OC)c2ccccc21)N(c1cccc(Cl)c1)S(C)(=O)=O 222612519 ZIQIGMCQRLSISJ-SFHVURJKSA-N 448.928 3.966 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCCCc1ccccc1Cl)c1ccccc1F 222658183 LIDVFDGLRRKDSG-UHFFFAOYSA-N 426.941 3.774 0 40 IHAB CCCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(SC)c(NC(C)=O)c1 222742290 XTVDKHIYUKLVLY-UHFFFAOYSA-N 435.571 3.698 0 40 IHAB Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)N1c2ccccc2C[C@H]1C 222765622 DIXYYSBEMCMJJQ-GOSISDBHSA-N 442.581 3.963 0 40 IHAB Cc1cccc(CSCCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c1 223207908 IEAKSCGOVAFKOV-UHFFFAOYSA-N 430.595 3.506 0 40 IHAB C[C@@H](NS(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1)c1ccc(F)cc1 223225614 OJTUMEITEKBFKH-SNVBAGLBSA-N 440.909 3.622 0 40 IHAB CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1C(C)(C)C 223414573 UBUAVWKNVFBGET-OAQYLSRUSA-N 426.557 3.925 0 40 IHAB C[C@H](COc1ccccc1)NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2F)c1 224164361 TWBFNFFWZHLAMS-QGZVFWFLSA-N 442.512 3.848 0 40 IHAB CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccccc1 225471112 VYTUWBLAKJWDFR-HNNXBMFYSA-N 435.387 3.846 0 40 IHAB COc1ccc(OC)c(NS(=O)(=O)c2ccc(OC)c(NC(=O)c3ccccc3)c2)c1 408558321 QNFCJCXHXYYAIZ-UHFFFAOYSA-N 442.493 3.766 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(C)cc2)cc1 408662417 HZNKSEWGUQQLCR-UHFFFAOYSA-N 440.496 3.853 0 40 IHAB COc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1 408663386 SAYTVVILDMIQMK-UHFFFAOYSA-N 425.268 3.903 0 40 IHAB CCOc1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1NC(=O)CC 408696427 BHLVMEGYEDOBQW-UHFFFAOYSA-N 427.320 3.997 0 40 IHAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCC(C)CC2)c1 408706371 HHLPWIDIUUTGLK-UHFFFAOYSA-N 432.542 3.685 0 40 IHAB COc1ccc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)c(OC)c1C 408929171 HZZOHCZYBHOWCE-MHWRWJLKSA-N 431.286 3.868 0 40 IHAB CCOCCCNC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)cc1 409132354 OBQIOPSQLWQEIO-UHFFFAOYSA-N 438.977 3.695 0 40 IHAB COc1ccc(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)c(OC)c1 409178820 NNANUBNLFVYLMB-UHFFFAOYSA-N 426.494 3.781 0 40 IHAB Cc1ccccc1C(=O)N[C@H](C)c1nnc(SCC(=O)Nc2ccc(Cl)cc2)n1C 409339014 DDZJDYFMMNLDBF-CQSZACIVSA-N 443.960 3.999 0 40 IHAB Cc1cc(F)ccc1-n1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)nn1 503337920 ITHKMGBFZCBVRN-NRFANRHFSA-N 443.482 3.695 0 40 IHAB Cc1nc(CN2CCC(C(=O)N3CCC[C@@H]3c3cccc4c3OCCO4)CC2)cs1 520250595 YZMHDMWYOVWYHB-HXUWFJFHSA-N 427.570 3.798 0 40 IHAB C[C@]1(c2ccc3ccccc3c2)NC(=O)N(Cc2nc(-c3ccc4c(c3)OCO4)no2)C1=O 524008104 ZOFSUQLEDODCMG-XMMPIXPASA-N 442.431 3.586 0 40 IHAB C[C@@H](NC(=O)CN(C)c1nc2ccccc2s1)c1cc(F)ccc1N1CCN(C)CC1 524157500 DKTICTUQRYRCFE-MRXNPFEDSA-N 441.576 3.501 0 40 IHAB O=C(NC[C@@H]1CCN(CCc2ccccc2)C1)c1cc(Br)cc2c1OCCO2 1627081100 CZDKARISTCFJKF-KRWDZBQOSA-N 445.357 3.515 0 40 IHAB O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc(I)o1 724246 NXWKGUROGVGIGF-UHFFFAOYSA-N 430.205 3.870 0 40 IHAB CC(=O)c1cccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1 829727 VQIQDICZTFJHIE-UHFFFAOYSA-N 426.469 3.862 0 40 IHAB COc1ccc2cc(CN(Cc3cccs3)C(=S)NC[C@H]3CCCO3)c(=O)[nH]c2c1 884792 KJHMSRJAVPJXDX-GOSISDBHSA-N 443.594 3.654 0 40 IHAB Cc1cc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3)ccc2Br)no1 990413 FTRDUAXYFLXZHI-UHFFFAOYSA-N 436.287 3.799 0 40 IHAB Cc1cc(-c2nn(-c3ccccc3)cc2/C=c2\sc3ncnn3c2=O)ccc1OC(C)C 1103680 WTWSYIIJSFTQJP-MTJSOVHGSA-N 443.532 3.647 0 40 IHAB CCN(CC)c1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 2944423 VBJDWXFOMWSFLB-IBGZPJMESA-N 440.540 3.709 0 40 IHAB biogenic O=c1/c(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)sc2nc(-c3ccco3)nn12 3649475 YEXOPGIHICCHEO-ZHZULCJRSA-N 437.484 3.811 0 40 IHAB CCCCn1c(S[C@H](C)C(=O)c2ccc(OC)cc2)nc2cc(S(N)(=O)=O)ccc21 6147921 QIHHNONCRDTKPQ-CQSZACIVSA-N 447.582 3.856 0 40 IHAB CC[C@@H](C)[C@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1)C(=O)O 6624422 LBFDNUQRUTVLLN-KBJGYGKASA-N 426.513 3.860 0 40 IHAB biogenic Cc1ccc(C)c(C(=O)COC(=O)c2ccccc2N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)c1 8449731 VIFFUYWQLKQEFA-XFDIAKHOSA-N 429.472 3.655 0 40 IHAB COc1cc(OC)cc(C(=O)Nc2nc(-c3nnn(-c4ccc(C)cc4)c3C)ns2)c1 8603071 UDYLKQABBIPFJT-UHFFFAOYSA-N 436.497 3.672 0 40 IHAB CCCOC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)c2ccc(F)cc2)cc1 8722555 CXRHWRNDBDJNON-UHFFFAOYSA-N 429.444 3.927 0 40 IHAB Cn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1-c1ccc(Cl)cc1 9334611 NPUXZPWKZMNYRH-UHFFFAOYSA-N 427.961 3.576 0 40 IHAB O=C(COc1cccc(Br)c1)Nc1cc(Cl)ccc1N1CCOCC1 9468741 LUWWIKBEXSSMNA-UHFFFAOYSA-N 425.710 3.957 0 40 IHAB Cc1csc(N(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c2ccccc2)n1 9491418 JMNNHFKJOBRMOY-INIZCTEOSA-N 435.505 3.941 0 40 IHAB Cc1sc2nc(/C(=C\c3ccc4c(c3)OCCO4)C(=O)N3CCCC3)[nH]c(=O)c2c1C 9549505 QQWYIHDGEQPIJP-LFIBNONCSA-N 437.521 3.536 0 40 IHAB C[C@@H]1CCc2nc(NC(=O)[C@@H]3CCCCN3S(=O)(=O)c3cccs3)sc2C1 9663895 UPEUVEYJBVAJIC-OCCSQVGLSA-N 425.601 3.511 0 40 IHAB CCOc1ccc(-n2c(SCC(=O)N3CCCC3=O)nnc2-c2cccc(C)c2)cc1 9671599 KGDPRTLVJUSRDB-UHFFFAOYSA-N 436.537 3.883 0 40 IHAB CCOc1ccc2nc(NC(=O)CSc3nnnn3Cc3cccs3)sc2c1 9740871 FUGKQCBJVCMCHM-UHFFFAOYSA-N 432.556 3.522 0 40 IHAB COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)N1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc12 9972370 UBQYFEJVMHKVGL-XARZLDAJSA-N 447.535 3.806 0 40 IHAB Cc1cccc(Cn2c(Sc3nc4ccccc4s3)nc3c2c(=O)[nH]c(=O)n3C)c1 10103129 GLVWWGILNDPNSL-UHFFFAOYSA-N 435.534 3.541 0 40 IHAB Cc1ccccc1Nc1nnc(SCC(=O)NCC(=O)Nc2ccc(F)cc2)s1 10212128 YREJBZKPNQUDJQ-UHFFFAOYSA-N 431.518 3.576 0 40 IHAB O=C1N[C@]2(CC[C@@H]3CN(C(=O)CCCc4c[nH]c5ccccc45)C[C@@H]32)Nc2ccccc21 12086086 SVUHLGOVUHYHJE-JDITYXQVSA-N 428.536 3.911 0 40 IHAB COc1ccc(-c2n[nH]c(=S)n2CC(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 12556247 HOZYZPLYBSFUJI-UHFFFAOYSA-N 437.569 3.582 0 40 IHAB Cc1ccc(NC(=O)Cc2noc3ccccc23)cc1S(=O)(=O)N1CCCCCC1 12733503 OVAOJEIKCPWKBL-UHFFFAOYSA-N 427.526 3.882 0 40 IHAB CCn1c(SCC(=O)N2CCN(Cc3ccccc3C)CC2)nnc1-c1cccs1 12911725 DUDXOTNUQIXUIA-UHFFFAOYSA-N 441.626 3.771 0 40 IHAB COc1ccc([C@@H](c2nnnn2C(C)(C)C)N2CCN(c3cc(C)ccc3C)CC2)cc1 13503987 XWFOZOUNAPHUPQ-QHCPKHFHSA-N 434.588 3.965 0 40 IHAB Cc1cc(C)cc(N([C@@H](C)C(=O)NCCSCc2ccccc2F)S(C)(=O)=O)c1 13647836 DDSKQQQMMLCSDX-KRWDZBQOSA-N 438.590 3.647 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)NCc1ccccc1CN1CCOCC1 14116511 MCUNCKIFISGAQV-UHFFFAOYSA-N 432.568 3.570 0 40 IHAB COc1ccc(NS(=O)(=O)c2cccc(C(=O)OC[C@H]3CC3(Cl)Cl)c2)cc1 14852041 NKULYVHHCHWLOD-CYBMUJFWSA-N 430.309 3.847 0 40 IHAB C[C@@H]1S[C@]2(C(=O)N(CN3CCCCC3)c3ccccc32)N(c2ccc(F)cc2)C1=O 16608100 NUWAGMDIMPIDLW-QMHKHESXSA-N 425.529 3.937 0 40 IHAB Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)NCCc1c[nH]c2ccccc12 17296281 RAGUBDMMMNUHEJ-UHFFFAOYSA-N 447.560 3.927 0 40 IHAB CCOC(=O)c1ccc(NC(=O)Cn2cnc3c(sc4cccc(F)c43)c2=O)cc1 17306579 YRLVWRFYSJXXLD-UHFFFAOYSA-N 425.441 3.566 0 40 IHAB Cc1cc(-c2cnc(NCCNC(=O)c3oc(C)nc3C)nc2-c2ccc(C)s2)on1 19217414 BJWAJDOKEBQUFV-UHFFFAOYSA-N 438.513 3.924 0 40 IHAB O=C1CCCC[C@]2(CN(C(=O)[C@@H]3Cc4cc(Cl)ccc4O3)C[C@H]2c2ccccc2F)N1 19368196 QBSOZRFELDIFII-NSXLHWASSA-N 442.918 3.838 0 40 IHAB C[C@H]1Cc2cc([C@@H](O)CN3CC=C(c4ccc(Cl)cc4)CC3)ccc2N1S(C)(=O)=O 19497848 PYPHQEWBAGWPNV-HJPURHCSSA-N 447.000 3.873 0 40 IHAB CCCN1CCN(Cc2nccn2CC)C[C@H](Cc2ccccc2-c2ccncc2)C1=O 19503364 FUVJGGMSQIIQDW-QHCPKHFHSA-N 431.584 3.878 0 40 IHAB COc1ccccc1C(=O)N[C@H](Cc1cc(=O)[nH]c(-c2ccccn2)n1)c1ccccc1 19568912 COXLTBVHHQGAAU-OAQYLSRUSA-N 426.476 3.554 0 40 IHAB COc1ccc(NC(=O)c2cnc([C@@H]3CCN(C(=O)c4cc(C(C)C)n[nH]4)C3)nc2C)cc1 19766163 JMWJNLZGBADEDL-MRXNPFEDSA-N 448.527 3.522 0 40 IHAB O=C(NC(=S)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1ccc2c(c1)OCO2 20152496 XAGZKATUFVIBBQ-UHFFFAOYSA-N 430.869 3.948 0 40 IHAB CN(C)S(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)C1 20456832 OAUMHXJSKYCMSD-HNNXBMFYSA-N 437.949 3.589 0 40 IHAB O=C(c1ccc(F)cc1)N1CCCc2cc(S(=O)(=O)NCCc3ccccc3)ccc21 20766709 TZNONKVUJICFOB-UHFFFAOYSA-N 438.524 3.940 0 40 IHAB CCCCc1nnc(NC(=O)[C@H]2CC(=O)N(CCc3c[nH]c4ccc(C)cc34)C2)s1 21785372 ALNOBRMQGOWECO-INIZCTEOSA-N 425.558 3.700 0 40 IHAB Cc1cccc(OCCN(C)C(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)c1 21963972 IZGWSCNHXSBRSZ-UHFFFAOYSA-N 444.578 3.686 0 40 IHAB C[C@]1(C2CC2)NC(=O)N(CC(=O)N[C@@H](c2ccc3c(c2)CCCC3)c2cccs2)C1=O 24277800 PCEAAAHNZWMTKB-XUZZJYLKSA-N 437.565 3.553 0 40 IHAB COc1ccc(CCNC(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)cc1OC 25091743 HRZLMMXGLMNVQG-UHFFFAOYSA-N 442.541 3.514 0 40 IHAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)N1CCN(C(=O)c2cccs2)CC1 25272019 AKRJVTURVFCNGU-UHFFFAOYSA-N 429.523 3.562 0 40 IHAB O=C([C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1)N1CCCCCC1 26109955 KBHDNWOXVJRRKE-INIZCTEOSA-N 433.401 3.938 0 40 IHAB CC(=O)Nc1cccc(-n2c(SCCn3c(=O)oc4ccccc43)nnc2C2CC2)c1 26144000 XXWMFRIQXVXQQC-UHFFFAOYSA-N 435.509 3.803 0 40 IHAB O=C(CCn1c(=O)oc2cc(Cl)ccc21)OCc1ccc(C(=O)N2CCCC2)cc1 28175656 GCUHUOQJUIGRLJ-UHFFFAOYSA-N 428.872 3.617 0 40 IHAB COc1ccc(Br)cc1S(=O)(=O)NCc1ccccc1CN1CCCC1 31075411 PJNPIRZBRXYSOV-UHFFFAOYSA-N 439.375 3.532 0 40 IHAB Cc1cc(N2CCN(C(=O)Cc3csc(Cc4ccccc4)n3)CC2)nc(C(C)C)n1 31532370 VAYWCOGIAHHNBI-UHFFFAOYSA-N 435.597 3.847 0 40 IHAB O=C(NC(=S)Nc1ccccc1O)c1cc(I)ccc1Cl 32106986 PATKKMFFIYBCSM-UHFFFAOYSA-N 432.670 3.777 0 40 IHAB COC(=O)C1=C(C)Nc2nc(SCc3ccccc3)[nH]c(=O)c2[C@@H]1c1ccc(O)cc1 32655262 GBAXZZYHEOPHEP-GOSISDBHSA-N 435.505 3.772 0 40 IHAB C[C@H]1C[C@@H](C)CN(Cc2csc(NC(=O)[C@@H](C)NC(=O)OCc3ccccc3)n2)C1 32889385 RSYHFVJLXYXRMO-IXDOHACOSA-N 430.574 3.874 0 40 IHAB C[C@H](OC(=O)c1sccc1S(=O)(=O)N1CCCC1)C(=O)c1ccc(Cl)cc1 32901769 IJMCXTJARXDQQV-LBPRGKRZSA-N 427.931 3.614 0 40 IHAB O=C(NCc1ccccn1)C1CCN(c2ncccc2-c2nc(-c3ccccc3)no2)CC1 35528044 PSKVYOCZOFYEHG-UHFFFAOYSA-N 440.507 3.726 0 40 IHAB O=C(NCCn1ncc2c(N3CCCCCC3)ncnc21)C1(c2cccs2)CCCC1 35590535 MKDPWWVJGYDTGK-UHFFFAOYSA-N 438.601 3.896 0 40 IHAB COC(=O)c1cc(Cc2ccccc2)sc1NC(=O)[C@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)O 35897699 AZZQOIYZQRYBDE-PDWMJMLSSA-N 425.506 3.977 0 40 IHAB CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(-n2cnnn2)cc1 36759045 XZUJHNPTIALILP-GOSISDBHSA-N 447.326 3.752 0 40 IHAB CCc1cccc2c(/C=C3/C(=O)N(C)C(=S)N3C)cn(CC(=O)NC3CCCCC3)c12 39556455 RZPLDGFNYJSMBW-MOSHPQCFSA-N 438.597 3.682 0 40 IHAB Cc1cc2nn(CC(=O)Nc3ccc(F)cc3Cl)c(=O)n2c(Nc2ccccc2C)n1 49410635 MBOFXNPZPKHFCH-UHFFFAOYSA-N 440.866 3.683 0 40 IHAB Cc1cccc(NC(=O)Cn2c(=O)n(-c3cccc(Cl)c3)c(=O)c3sccc32)c1 57491470 FPCKHJJXVFEVMJ-UHFFFAOYSA-N 425.897 3.814 0 40 IHAB O=C(Cn1c(=O)n(-c2cccc(Cl)c2)c(=O)c2sccc21)Nc1ccccc1F 57491494 KCCBXGZEOYHKAX-UHFFFAOYSA-N 429.860 3.645 0 40 IHAB CCN(CCNC(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)C(=O)OC(C)(C)C 58307500 JZQXQXOKNDAVTL-IYBDPMFKSA-N 438.544 3.818 0 40 IHAB CC(=O)N1CCc2cc(NC(=O)Nc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)ccc21 58376875 IRYFEAQYOPASAE-GASCZTMLSA-N 426.492 3.992 0 40 IHAB CCNc1ccc(S(=O)(=O)N(CC)CC)cc1NCC(=O)N1c2ccccc2C[C@@H]1C 65533015 OLBOUVOAMNQLAU-KRWDZBQOSA-N 444.601 3.539 0 40 IHAB COc1cc(C)c2[nH]c3c(c(=O)c2c1)CN(CC(=O)Nc1ccc(C)cc1Cl)CC3 67349901 ZLYDDGBDKGTTPK-UHFFFAOYSA-N 425.916 3.804 0 40 IHAB COc1ccc(C2(C(=O)N[C@@H](C)Cn3nc4c(cc3=O)CCCCC4)CCCCC2)cc1 72325006 JFISRJJAEPBJDF-IBGZPJMESA-N 437.584 3.928 0 40 IHAB COc1cc2c(cc1OC)[C@@H]1c3ccccc3N(CC(=O)N3CCCCC3)C(=O)N1CC2 72342027 VRGCVACQBMSCQC-DEOSSOPVSA-N 435.524 3.604 0 40 IHAB Cc1cc(Cc2ccccc2Cl)cc([C@H]2CCCN(S(=O)(=O)c3cn[nH]c3)C2)n1 72356245 HAFBKERHDRTCQB-SFHVURJKSA-N 430.961 3.926 0 40 IHAB COCCc1ncc(CN2CCC[C@H]2c2cc(Nc3ncc(C)s3)nc(C)n2)cn1 72361465 RQIGATSADGRZHC-SFHVURJKSA-N 425.562 3.610 0 40 IHAB CC[C@@H]1Oc2ccc(C(=O)c3ccco3)cc2N(CC(=O)Nc2cc(OC)ccc2C)C1=O 72396668 RAFOCXIXNKLKAA-FQEVSTJZSA-N 448.475 3.970 0 40 IHAB CS(=O)(=O)Nc1ccccc1C1=NN(C(=O)c2cccc(F)c2)[C@@H](c2ccco2)C1 95116586 WCPLGZGWALSTIE-LJQANCHMSA-N 427.457 3.782 0 40 IHAB COc1ccc(OC[C@@H](O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 95117154 KTCIZGXJJIXYON-FQEVSTJZSA-N 445.512 3.778 0 40 IHAB CC[C@H](NC(=O)Nc1cc(Br)cn(C)c1=O)c1nc(-c2ccccc2)c[nH]1 95460979 KPVQOPCFRUDTKV-AWEZNQCLSA-N 430.306 3.811 0 40 IHAB CCCN(CCOC)C(=O)[C@H]1C[C@@]2(CO1)c1ccccc1CN2Cc1cccc(OC)c1 96143962 CSBJNEYONGOKBK-AOYPEHQESA-N 438.568 3.580 0 40 IHAB Cc1ccsc1CN1CCC[C@@H]1c1cc2nc3c(c(O)n2n1)CCN(C(=O)C(C)C)C3 100234378 RAOGFWALZSBRDK-LJQANCHMSA-N 439.585 3.683 0 40 IHAB CCOC(=O)c1ccc(N2C(=O)/C(=C/NCc3ccccn3)c3ccccc3C2=O)cc1 103004902 QTEFXAWOMHUTFU-CJLVFECKSA-N 427.460 3.576 0 40 IHAB CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C 118925515 WBZYOPMJAOANPU-HNOHUYCESA-N 434.573 3.680 0 40 IHAB COC[C@@]1(C(N)=S)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218622622 SFGHIZLBYZSJPD-SOLBZPMBSA-N 430.378 3.852 0 40 IHAB Cc1ccc2c(c1)[C@@H](NC(=O)[C@H](C)N(c1ccccc1F)S(C)(=O)=O)CC(C)(C)O2 220319972 LHKONQBXXBQIBR-YJBOKZPZSA-N 434.533 3.707 0 40 IHAB CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc2c(c1)OCO2 223511271 WORKPLKNUVPIHQ-SFHVURJKSA-N 440.540 3.690 0 40 IHAB CCCOc1ccccc1CCCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 223621256 QHPLRYTUSWHRFA-UHFFFAOYSA-N 442.581 3.686 0 40 IHAB CCOC(=O)C1CCN(C(=O)c2ccc(OC)c(COc3ccccc3OC)c2)CC1 224244803 ZGBHBLOCGNTMHC-UHFFFAOYSA-N 427.497 3.698 0 40 IHAB CCOC(=O)COc1ccc(NC(=O)C2(C)COC(c3ccc(Cl)cc3)OC2)cc1 225919160 PIUCRRPJDMUAGZ-UHFFFAOYSA-N 433.888 3.972 0 40 IHAB O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)N1CCC[C@@H](c2ccnc(-c3ccncc3)n2)C1 247751522 SUDQQOKQZOAICA-GBELUZKSSA-N 432.568 3.966 0 40 IHAB COC(=O)C[C@@H](c1ccc(O)cc1)c1c(O)cc(C)n(CCc2c[nH]c3ccccc23)c1=O 253411852 PEUYEDCSRIBREJ-NRFANRHFSA-N 446.503 3.987 0 40 IHAB biogenic O=C(CCc1c[nH]c2ccccc12)N1CCO[C@H](c2cccc(Nc3ncccn3)n2)C1 257256565 KMAJFPUVVPKJHR-NRFANRHFSA-N 428.496 3.629 0 40 IHAB COCC(=O)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(OC)cc1)CN2Cc1ccc2cc[nH]c2c1 257282487 OTXYPUFQPAJLMJ-VDKIKQQVSA-N 433.552 3.639 0 40 IHAB CC(=O)N[C@@H](C(=O)N1CC[C@@H]2O[C@@H]3c4ccc(C)cc4OC(C)(C)[C@H]3C[C@@H]2C1)C(C)C 257315842 VCZCMTSFZZBPSO-SNVADZQDSA-N 428.573 3.621 0 40 IHAB O=C1N(Cc2ccsc2)CCO[C@]12CN(CCc1ccccc1)C[C@H]2c1cccnc1 306131411 KDUFRPLLOXSLFE-ZCYQVOJMSA-N 433.577 3.583 0 40 IHAB CN1CCN(Cc2ccc3c(c2)OCO3)C[C@H]1c1cn2c(-c3ccncc3)cccc2n1 306139058 SOFDQIRRSOADJE-QFIPXVFZSA-N 427.508 3.614 0 40 IHAB O=C1CCc2cc(S(=O)(=O)N[C@@H](c3ccsc3)c3cccs3)cc3c2N1CC3 390827429 XPHFUOXEFDMIBW-IBGZPJMESA-N 430.576 3.713 0 40 IHAB CCc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 408562351 ZFJBHEKVZVFIPU-UHFFFAOYSA-N 436.961 3.950 0 40 IHAB COc1ccc(C(=O)OCC(=O)Nc2ccc(Br)c(Cl)c2)c(OC)c1 408645827 MLSXSXGPHREDGS-UHFFFAOYSA-N 428.666 3.915 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)NC2CCCCC2)cc1 408647059 RJFFRGLQDJJKOI-UHFFFAOYSA-N 446.544 3.744 0 40 IHAB Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)cc2)cc1C 408659023 LRSMFKDJLPAVOO-ZRGHVXQMSA-N 446.503 3.634 0 40 IHAB CCOc1cc(/C=C2/NC(=O)N(C)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 409194094 NTKWVGQBUQWDPT-LICLKQGHSA-N 443.887 3.587 0 40 IHAB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc(OC)c1O 409234317 ZIBNNFIMNPWMGZ-CXUHLZMHSA-N 448.884 3.738 0 40 IHAB COc1cc(C(=S)N2CCOCC2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409249794 LLYYYJWOVCPBJR-UHFFFAOYSA-N 434.945 3.682 0 40 IHAB CNS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc3nc(-c4cccc(F)c4)[nH]c3c2)c1 524712940 IOWQAACAPFVYAV-UHFFFAOYSA-N 438.484 3.838 0 40 IHAB CCOc1ccc(N(CC(=O)NCc2ccccc2C)S(=O)(=O)c2ccccc2)cc1 832071 HCOAHOXQEAMFCT-UHFFFAOYSA-N 438.549 3.905 0 40 IHAB Cc1cc(S(=O)(=O)Nc2nnc3c4c(C)csc4ncn23)c(S)cc1Cl 1650670 LWCSJMGLMUXLOK-UHFFFAOYSA-N 425.948 3.699 0 40 IHAB COC(=O)c1c(NC(=O)CCCOc2cccc(C)c2)sc2c1[C@H](C(=O)OC)CC2 1773769 FMMULICEBVUPKK-OAHLLOKOSA-N 431.510 3.844 0 40 IHAB CCOC(=O)CSc1nnc2c3c4c(sc3nc(SC)n12)CO[C@H](C(C)C)C4 1774122 IZYCRXXURZCZHP-NSHDSACASA-N 438.600 3.813 0 40 IHAB COc1cc(/C=C2\N=C(c3ccc(Br)cc3)OC2=O)cc(OC)c1OC(C)=O 2308368 CFWMQJMQYBHVTR-NVNXTCNLSA-N 446.253 3.736 0 40 IHAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)n1 2617882 NVLDHUHIILFOQE-UHFFFAOYSA-N 438.553 3.916 0 40 IHAB CCCCCC(=O)Nc1ncc2c(n1)C[C@@H](c1cc(OC)c(OC)c(OC)c1)CC2=O 2739490 QIGBZBFBFBVYNB-CQSZACIVSA-N 427.501 3.934 0 40 IHAB biogenic COc1ccc(-c2noc(CN(C(=O)[C@H](C)Oc3ccccc3)C(C)C)n2)cc1OC 4385441 CFAHGAUDLBSZOV-INIZCTEOSA-N 425.485 3.958 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(Nc2ccc(-c3ccc4c(c3)OCCO4)nn2)cc1 8666244 AKYIRAUKBHVCNY-UHFFFAOYSA-N 440.525 3.689 0 40 IHAB Cc1c(O[C@H](C)C(=O)NCCCn2ccnc2)ccc2c(-c3ccccc3)cc(=O)oc12 8789969 ARKLPJSRNDBHEO-GOSISDBHSA-N 431.492 3.939 0 40 IHAB biogenic COc1ccc(OCC(=O)Nc2cccc(Cl)c2N2CCN(C(=O)C(C)C)CC2)cc1 8904473 RYQYTJUFXXCOIR-UHFFFAOYSA-N 445.947 3.671 0 40 IHAB C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1ccc(Br)cc1 9094833 CXNNVJKHXWODGB-CYBMUJFWSA-N 433.327 3.908 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(NC[C@H](c2ccc(OC)cc2)N2CCCCC2)nc1 9120190 LLZNMVSXIGGXMF-JOCHJYFZSA-N 446.617 3.760 0 40 IHAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)CSc1nnc(NC2CCCCC2)s1 9128920 FEMTXXDIGQWSDI-UHFFFAOYSA-N 437.566 3.611 0 40 IHAB COc1ccc(CCCc2nnc(S[C@@H](C)C(=O)Nc3nccs3)n2C)cc1C 9263560 JDGLPEVQELQSAK-AWEZNQCLSA-N 431.587 3.883 0 40 IHAB COc1cccc(C(=O)c2cn(CC(=O)Nc3ccccc3C)c3nc(C)ccc3c2=O)c1 9268146 XTWGOPJORSJVBP-UHFFFAOYSA-N 441.487 3.892 0 40 IHAB C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nnc3c4cc(Br)ccc4n(C)c3n2)C1 9273740 UXBXROJTMYWKJW-VXGBXAGGSA-N 448.390 3.876 0 40 IHAB O=S(=O)(NCCc1nnc2c(C(F)(F)F)cc(Cl)cn12)c1ccc(Cl)cc1 9410331 GETOIEGCVAAADL-UHFFFAOYSA-N 439.246 3.576 0 40 IHAB Cc1[nH]c2ccc(C(=O)OCC(=O)c3cc(C)n([C@@H]4CCS(=O)(=O)C4)c3C)cc2c1C 9551735 OGWQCINDPZFBQB-GOSISDBHSA-N 442.537 3.602 0 40 IHAB Cc1ccc(-n2nnnc2SCC(=O)NCC2(N3CCCCC3)CCCCC2)c(C)c1 9723341 CAPMHUCLQLJTDK-UHFFFAOYSA-N 442.633 3.676 0 40 IHAB CC(=O)N1C[C@H](C(=O)N(C2=N[C@@H](C)CS2)c2ccc(Cl)cc2)Oc2ccccc21 9764466 OLGFBZIABGJQKA-ORAYPTAESA-N 429.929 3.978 0 40 IHAB COc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(C)c3)C(=O)N2Cc2ccco2)cc1 9933955 LYNRTTQXBQVVOT-NRFANRHFSA-N 433.464 3.963 0 40 IHAB CCNC(=O)NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1C 9988341 VCXYVTNRODRWBR-UHFFFAOYSA-N 429.933 3.834 0 40 IHAB COc1ccc(-c2nc(NCc3cccs3)n(S(=O)(=O)c3ccccc3)n2)cc1 10076653 AEPFEBUGILDKOJ-UHFFFAOYSA-N 426.523 3.864 0 40 IHAB CC(C)CNC(=O)CSc1nc(-c2ccccc2)[nH]c1S(=O)(=O)c1ccccc1 11695889 XBZASADAXBFRNK-UHFFFAOYSA-N 429.567 3.774 0 40 IHAB Cc1ccc(NC(=O)C[C@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)cc1F 12233187 SHPVRGRHRFEBGU-INIZCTEOSA-N 435.484 3.705 0 40 IHAB CCCCCn1nc(C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)c2ccccc2c1=O 12547954 LWNCJXHQUUVEBI-UHFFFAOYSA-N 443.507 3.804 0 40 IHAB O=C(CN1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21)Nc1cc(Cl)ccc1F 12554296 YMABRMSOIOZBCG-HXUWFJFHSA-N 431.895 3.698 0 40 IHAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CN2C(=O)c3ccccc3C2=O)cc1 12565812 IOFLXVTUAWGFCC-HSZRJFAPSA-N 439.471 3.669 0 40 IHAB COC(=O)c1c(C)[nH]c(C(=O)OCc2csc(N(C(C)=O)c3ccccc3)n2)c1C 12793083 FZAKRHCFQDIIDW-UHFFFAOYSA-N 427.482 3.916 0 40 IHAB CCCC(=O)N1CCC[C@@H](c2nc(O)c3nnn(Cc4ccc(C(C)(C)C)cc4)c3n2)C1 13083450 SGADEIYYHISFHC-QGZVFWFLSA-N 436.560 3.779 0 40 IHAB COc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1OC 13095770 AXRONFOFUSSYGS-UHFFFAOYSA-N 446.569 3.541 0 40 IHAB COc1ccc(OC)c(NC(=O)[C@H]2C[C@H](CC(C)C)N[C@]23C(=O)Nc2ccc(C)cc23)c1 13576572 WDWOQONWARHYBM-WEVXLUSXSA-N 437.540 3.823 0 40 IHAB O=S(=O)(Nc1ccc(Cl)cc1Cl)c1ccn(S(=O)(=O)c2ccccc2)c1 13585730 QCWKDORRAFPKLZ-UHFFFAOYSA-N 431.322 3.833 0 40 IHAB CCS(=O)(=O)N1CCCc2cc(C(=O)Nc3cc(OC)c(Cl)cc3OC)ccc21 13610549 GETCSUKIMRXMCI-UHFFFAOYSA-N 438.933 3.712 0 40 IHAB CCOc1c(Cl)cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1OC 14009779 HXLXRGMAXXZHEJ-LICLKQGHSA-N 443.887 3.587 0 40 IHAB O=C(Nc1nc2ccc(F)cc2s1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 14015994 CJIATNODQJFTDZ-LBPRGKRZSA-N 437.493 3.614 0 40 IHAB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)Nc1ccc(F)cc1F 16479208 DJKRRRKORRVGLB-UHFFFAOYSA-N 430.476 3.837 0 40 IHAB O=C(Nc1ccc(F)cc1)N1CCC2(CC1)NC(=O)N(Cc1ccc(Cl)cc1)C2=O 17155820 BKBBQHJOOPBKTP-UHFFFAOYSA-N 430.867 3.598 0 40 IHAB CCOC(=O)c1c(/N=c2\oc3ccc(OC)cc3cc2C(N)=O)sc2c1CCCC2 17297465 HHXRXTQAFIXJHY-GFMRDNFCSA-N 426.494 3.890 0 40 IHAB CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2ccc(F)cc2)CN(C(=O)C(C)C)CCO1 19085853 UNLYDQQFEBJCTE-RUZDIDTESA-N 426.532 3.813 0 40 IHAB Cn1cc(CN2CCC[C@H]([C@@H](NC(=O)[C@@H]3CCCO3)c3ccccn3)C2)c2ccccc21 19290445 BJNYRELVDANSQB-PNTFMKQHSA-N 432.568 3.822 0 40 IHAB O=S(=O)(c1cccc(F)c1)N1CCC[C@@H](c2nnc(-c3nccc4ccccc34)o2)C1 19376425 VDGHATZELJRPAH-MRXNPFEDSA-N 438.484 3.992 0 40 IHAB CNC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)Cc2ccccc2F)CCO1 19591841 SIYHVRMDGAZKPI-MHZLTWQESA-N 446.522 3.622 0 40 IHAB COC[C@@H](C)NC(=O)CN1CCC(c2cc(Cc3ccc(Cl)cc3)cc(C)n2)CC1 19691819 BPZJWRZSRLYXQK-GOSISDBHSA-N 429.992 3.965 0 40 IHAB O=S(=O)(c1ccc(F)cc1)N1CCC[C@@H]1c1cc(CCOc2ccccc2F)[nH]n1 19703677 MIGBZFGVWCVNTM-HXUWFJFHSA-N 433.480 3.835 0 40 IHAB Cc1nc([C@@H]2CCN(C(=O)c3n[nH]c4c3CCC4)C2)nc2c1CCCN2Cc1ccccc1 19707544 IHYARFBMXMMXAJ-LJQANCHMSA-N 442.567 3.579 0 40 IHAB Cc1nc(CC2CCN(C(=O)c3ccc4c(c3)OCCO4)CC2)cc(N2CCCCC2)n1 19758593 UTOOGZYCSHXMBG-UHFFFAOYSA-N 436.556 3.641 0 40 IHAB CC(C)NC(=O)c1cc([C@H]2CCN(C(=O)CCc3nc(C(C)C)no3)C2)nc2ccccc12 19761149 ZRIRNAXVIUTPHX-KRWDZBQOSA-N 449.555 3.828 0 40 IHAB CC(=O)Nc1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3ccco3)c3nc4ccccc4n32)cc1 19817611 SLSMYICNENNVML-OAQYLSRUSA-N 443.463 3.704 0 40 IHAB O=C(Nc1ccc(Br)cc1)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 19857106 JWCIVKVRFCHYAC-INIZCTEOSA-N 437.359 3.630 0 40 IHAB Cc1ccccc1[C@@H](NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O)c1ccccc1 20108762 KNPYPHFZGNOLBI-QHCPKHFHSA-N 426.513 3.806 0 40 IHAB O=C(O)[C@@H](c1c[nH]c2ccc(Br)cc12)N1CCN(Cc2ccccc2)CC1 20745513 KTSPEILLNYPFJP-HXUWFJFHSA-N 428.330 3.874 0 40 IHAB COc1ccc([C@H](c2sc3ncnn3c2O)N2CCN(c3ccccc3F)CC2)cc1 22609469 SZRRRJTUQNXWPK-LJQANCHMSA-N 439.516 3.556 0 40 IHAB Fc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCN(Cc3ccccc3)CC2)cc1 22929121 VJMQEMGLPUPNIC-RUZDIDTESA-N 442.542 3.768 0 40 IHAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)c1cc(Cl)c(OC)c(OC)c1)CC3 23134191 JAFCBERSJXATEP-UHFFFAOYSA-N 428.872 3.824 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)Nc2ccnn2Cc2ccccc2)cc1 23142430 BYHZIJRLDQEZPW-NTCAYCPXSA-N 438.553 3.614 0 40 IHAB CCOC(=O)c1oc2ccccc2c1COC(=O)CCc1nc2ccccc2c(=O)n1C 23228275 WZLLQCUIEXNOPV-UHFFFAOYSA-N 434.448 3.532 0 40 IHAB COc1ccc2cc(CNc3cc(S(=O)(=O)NC4CC4)ccc3OC)c(Cl)nc2c1 23900911 REGOWLDHPDTKKZ-UHFFFAOYSA-N 447.944 3.958 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3nc4c(s3)CCCCC4)C2)s1 28617847 ACTXYAUSMVHLTD-AWEZNQCLSA-N 439.628 3.821 0 40 IHAB NS(=O)(=O)c1ccc(CCNC(=O)/C=C/c2ccc(-c3ccccc3F)s2)cc1 29507841 DEOXUCQSELQNSF-XYOKQWHBSA-N 430.526 3.574 0 40 IHAB O=C(CSc1nnc(CN2CCCC2)n1-c1ccccc1)N[C@@H]1CCOc2ccccc21 32745307 VKEWIOODNFFJEI-HXUWFJFHSA-N 449.580 3.595 0 40 IHAB CNC(=O)c1ccc(CN(CC(=O)NC2c3ccccc3-c3ccccc32)C2CC2)cc1 32760747 IJPRVCWHJOJSCO-UHFFFAOYSA-N 425.532 3.897 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(=O)n(Cc2csc(-c3ccccc3Cl)n2)c1 32878896 WYOAOGKYBFIFPP-UHFFFAOYSA-N 437.974 3.704 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccnn3C3CCCCC3)C2)s1 40047655 YKQXXWKCCVUNNE-MRXNPFEDSA-N 436.603 3.798 0 40 IHAB O=C(Nc1ccc(F)cc1)NC1CCN(C(=O)CCc2cnn(-c3ccccc3)c2)CC1 48311001 QMVRPRUVBIQWRK-UHFFFAOYSA-N 435.503 3.757 0 40 IHAB C[C@H](N[C@H](C)c1ccc(F)c(F)c1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 57381169 FVLLPSGGVACGMG-NEPJUHHUSA-N 445.919 3.546 0 40 IHAB CCOC(=O)c1c(C2CC2)csc1NC(=O)c1cc(N2CCNC2=O)c(F)cc1F 72300989 ZKRKIIFCJUWQHV-UHFFFAOYSA-N 435.452 3.862 0 40 IHAB Nc1c([N+](=O)[O-])cc(F)c(N2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1Br 78903652 JESDRXJHTGCVEJ-LLVKDONJSA-N 437.269 3.934 0 40 IHAB Cc1nc(Cn2cc(-c3nc(C(=O)NCc4ccncc4)c4ccccn34)nc2C)cs1 96155114 FZOJQTZOEJTFRM-UHFFFAOYSA-N 443.536 3.644 0 40 IHAB CC(=O)c1ccc(N2C(=O)C[C@@H](c3c(C)nn(-c4nc5ccccc5s4)c3O)C2=O)cc1 100134594 OAJJODLOIRSKKQ-INIZCTEOSA-N 446.488 3.746 0 40 IHAB CN(C)C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc3c(c1)OCO3)CC2 102444716 BOXIEWKLMNSICF-WJDWOHSUSA-N 430.460 3.695 0 40 IHAB Cc1cc(C)cc(OCCNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c1 108894387 XWOHSAOHHAIQEU-UHFFFAOYSA-N 430.551 3.975 0 40 IHAB CCOc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(SC)cc3)CC2)c1 113955664 URDIVWUWXDBGTF-UHFFFAOYSA-N 434.583 3.847 0 40 IHAB C[C@H]1CN(S(=O)(=O)c2cc(C(=O)N3c4ccccc4C[C@H]3C)ccc2Cl)C[C@H](C)O1 195531355 JTAKMCCVLUGHHX-PMPSAXMXSA-N 448.972 3.729 0 40 IHAB CCOc1cc(C(=O)NC[C@@H]2CCCN(c3nccs3)C2)cc(OCC)c1OCC 206834893 XKFFIQWBSVLOAV-INIZCTEOSA-N 433.574 3.986 0 40 IHAB CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CCc1ccc2c(c1)OCCO2 223146739 ZVVXQRXKROKZRY-IBGZPJMESA-N 430.932 3.597 0 40 IHAB Cc1cccc([C@@H](NC(=O)CN(Cc2ccccc2F)S(C)(=O)=O)c2ccccc2)c1 223226584 LSRNNUJATTUUER-DEOSSOPVSA-N 440.540 3.802 0 40 IHAB COc1cccc(OC)c1CN(C)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1 224074762 RMDNCIJFVHCESC-UHFFFAOYSA-N 440.521 3.777 0 40 IHAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCCN2CCCCC2)cc1 224141071 GYCVVXCSGYNAKS-FXBPSFAMSA-N 427.570 3.520 0 40 IHAB COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1OC 224538698 GVGTZGUIAULADJ-UHFFFAOYSA-N 440.521 3.994 0 40 IHAB CCOC(=O)CN(c1ccc(Br)c(C)c1)S(=O)(=O)c1ccc(F)cc1 224915062 IFVXIGKUIWFHKZ-UHFFFAOYSA-N 430.295 3.655 0 40 IHAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc2c(c1)OCO2 225197737 LMWDJWLPRDFPLQ-KRWDZBQOSA-N 428.504 3.821 0 40 IHAB COc1ccc(CNC(=S)Nc2ccc(N3CCCC3=O)c(C)c2)c(OC)c1OC 225527273 ACVDWPLDEJUVHT-UHFFFAOYSA-N 429.542 3.634 0 40 IHAB COc1ccccc1CNS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1 225740228 WCRGFIHTFOUIEO-UHFFFAOYSA-N 440.546 3.598 0 40 IHAB CC(=O)O[C@@H]1C[C@@]2(C)[C@H](C(C)=O)CC[C@@H]2[C@H]2CC[C@H]3CC4(CC(=O)[C@]3(C)[C@H]12)OCCO4 253501292 RUQBPCMPFRJFIH-PFZOMXFUSA-N 432.557 3.698 0 40 IHAB COc1ccccc1CC(=O)NC[C@H]1C[C@@]2(C)[C@@H](O)CCCC[C@H]2N1C(=O)OC(C)(C)C 257248532 JEBPJTQDFRWDNH-MASGSYHESA-N 446.588 3.673 0 40 IHAB COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CCN(Cc3cccnc3N(C)C)C2)c1 257263179 LOTPGJADZWCHQS-LJQANCHMSA-N 432.572 3.669 0 40 IHAB O=C(c1cccc(Cn2ccnc2)c1)N1CCC2(CC1)C[C@@H](Oc1ccc(F)cc1)CO2 257273331 NGDQBHSWMDGWND-HSZRJFAPSA-N 435.499 3.913 0 40 IHAB CC(=O)N1[C@@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)Cn1nc(C)cc1C 257330669 XPJXOHCYPGAUDV-TYUWDEHNSA-N 434.584 3.502 0 40 IHAB CC(=O)OC[C@]12CC[C@@H]3[C@H](C(=O)C[C@H]4C[C@H](OC(C)=O)CC[C@@]43C)[C@H]1C[C@@H](OC(C)=O)C2 257349951 SUMWMGNUBMBBTF-RXCYXCQDSA-N 448.556 3.615 0 40 IHAB Cc1ccc2c(c1)[C@@H](NC(=O)[C@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1)CC(C)(C)O2 260808245 HMLXMYKFYMWUQB-JXFKEZNVSA-N 446.569 3.577 0 40 IHAB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(C(F)(F)F)cc2)c(C)c1 408636204 YIJIULAUZUKBLT-UHFFFAOYSA-N 430.448 3.720 0 40 IHAB O=C(Oc1cccc(N2C(=O)CCC2=O)c1)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 408643768 RUCBOADZJVQIQY-GFCCVEGCSA-N 447.274 3.605 0 40 IHAB CCc1cc(Br)ccc1NC(=O)COC(=O)CCC(=O)NC1CCCCC1 408644940 INMXSQLAXWCRDE-UHFFFAOYSA-N 439.350 3.722 0 40 IHAB CS(=O)(=O)N(CCCC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)OCO2 408704911 VOLNKXODMXVKMF-UHFFFAOYSA-N 444.431 3.619 0 40 IHAB CCC1CCC(NC(=O)C(=O)Nc2ccccc2C(=O)NCc2ccccc2OC)CC1 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429.476 3.974 0 40 IHAB O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 9757780 MHGDZUSNDZGFRK-FQEVSTJZSA-N 433.961 3.507 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCCC1)c1ccc(C)c(Cl)c1 10299841 HISKZOAACYFDNE-UHFFFAOYSA-N 436.961 3.783 0 40 IHAB O=C(Cc1ccc(Br)cc1)Nc1cccc(S(=O)(=O)NCc2ccco2)c1 11357923 YMWBWBXDSIMMLM-UHFFFAOYSA-N 449.326 3.702 0 40 IHAB C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)C[C@@H](C)O1 12525828 PTBQMCBFBXDFKU-ZIAGYGMSSA-N 442.459 3.756 0 40 IHAB CCN1CCN(c2ccccc2NS(=O)(=O)c2ccc(Br)c(C)c2)CC1 12552008 SSDPECUULANYJH-UHFFFAOYSA-N 438.391 3.700 0 40 IHAB O=S(=O)(Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1ccc(Cl)cc1 12753505 QSPJNWDKUJGFPS-UHFFFAOYSA-N 449.381 3.969 0 40 IHAB COc1cc(/C=C/C(=O)NC[C@@H](c2cccs2)N2CCOCC2)ccc1OC(C)C 12798191 ADSCRUXFIMHSCR-XSBJJCPUSA-N 430.570 3.747 0 40 IHAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NCCc1ccc(Cl)cc1 12998150 YIEKXONDCDNBJG-UHFFFAOYSA-N 425.842 3.705 0 40 IHAB Fc1ccc(N2CCN([C@@H](c3ccccc3F)c3nnnn3Cc3ccccc3)CC2)cc1 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425.533 3.696 0 40 IHAB CNC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CCN(Cc2cc(OC)cc(OC)c2)C1 19591672 FUZSRVRQVVMHAC-HHHXNRCGSA-N 445.563 3.947 0 40 IHAB COc1ccc(-c2cnc(N(C)C)nc2[C@H]2CCCCN2C(=O)c2cnc(C)cn2)cc1 19694410 JKGYZYDIYSNBEG-OAQYLSRUSA-N 432.528 3.684 0 40 IHAB COCCNC(=O)c1cc([C@H]2CN(Cc3ccc4[nH]ccc4c3)CCO2)nc2ccccc12 19753896 MTXZSKOQMJWLNG-RUZDIDTESA-N 444.535 3.666 0 40 IHAB Cc1nc([C@H]2CCCN(C(=O)COc3ccccc3)C2)ncc1C(=O)NCc1ccccc1 19765382 CNWHSTHUUHVXTR-NRFANRHFSA-N 444.535 3.500 0 40 IHAB COC(=O)c1c(C)nc2ccn(-c3ccc4c(c3)OCO4)c(=O)c2c1-c1ccc(OC)cc1 19819274 AMBSWNKGAVGAFJ-UHFFFAOYSA-N 444.443 3.885 0 40 IHAB Cc1cccc(CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3)C2)c1 19866651 YZWCPTGGWQUWDC-OAQYLSRUSA-N 449.016 3.939 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(F)ccc3C)C2)cc1Cl 20016866 NNPKBFNDIIMMJU-AWEZNQCLSA-N 440.924 3.836 0 40 IHAB CCOc1cccc(C(=O)Nc2nn3c(-c4ccc(OC)c(OC)c4)nnc3s2)c1 20486421 CERYIRGELLYBMF-UHFFFAOYSA-N 425.470 3.521 0 40 IHAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)S(=O)(=O)c1cccc(C(C)=O)c1 21224713 OWSNWWMRKHXSHZ-UHFFFAOYSA-N 428.432 3.557 0 40 IHAB CCCOc1ccccc1CCCNC(=O)CN(c1ccccc1CC)S(C)(=O)=O 22329924 NMTHWFAXYWGYKV-UHFFFAOYSA-N 432.586 3.553 0 40 IHAB COc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)N2CCc3ccccc3C2)cc1 22767473 ZRIXUQQZNWNPIC-QFIPXVFZSA-N 428.579 3.835 0 40 IHAB COC(=O)c1cc(NC(=O)c2occc2CS(=O)(=O)c2ccccc2)ccc1Cl 23042482 AYWJDWMNQHAFCM-UHFFFAOYSA-N 433.869 3.946 0 40 IHAB COc1cc(C(=O)N2CCC[C@@H](c3nnc(-c4cccs4)o3)C2)cc(OC)c1OC 23140236 OIPBLCXNFAOXJA-CYBMUJFWSA-N 429.498 3.844 0 40 IHAB O=c1cc(CSCc2nc(-c3ccccc3)no2)nc2ccc(Br)cn12 24943467 JLDBSTFCJSNMPF-UHFFFAOYSA-N 429.299 3.940 0 40 IHAB O=C(NCCSC1CCCC1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 25245716 IGBOGAKYJYXXFT-UHFFFAOYSA-N 431.023 3.920 0 40 IHAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1ncnc2c1cnn2-c1ccccc1 25607793 MLUBWUIJIRBZCN-OAHLLOKOSA-N 444.520 3.672 0 40 IHAB Cc1cccc(Cc2cnc(NC(=O)CNC(=O)c3ccc4c(c3)OCO4)s2)c1Cl 26038769 OKWQHIKLUZHGLY-UHFFFAOYSA-N 443.912 3.793 0 40 IHAB O=C(NC1CC1)c1ccc(CN(C(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)C2CC2)cc1 26113700 CQMPRJZTAQRRHU-QHCPKHFHSA-N 447.535 3.501 0 40 IHAB C[C@]12CCC(=O)N1[C@@H](C(=O)NCc1ccc(-c3ccc(Br)cc3)o1)CS2 26691531 GUUMZHTZBKRLSD-BEFAXECRSA-N 435.343 3.779 0 40 IHAB NC(=O)[C@@H]1CC(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)=NN1c1ccccc1 30564707 BFMKBHBLSOTDDO-ZDUSSCGKSA-N 431.930 3.584 0 40 IHAB Cc1cc(CN2CCN(C(=O)c3cn(Cc4ccccc4)nc3-c3ccccc3)CC2)no1 39985507 YFOASFPUXGMBHM-UHFFFAOYSA-N 441.535 3.853 0 40 IHAB COc1ccc(OC)c(-c2csc(NC(=O)[C@@H]3CCCN(C(=O)c4ccoc4)C3)n2)c1 40059818 FIRSXOFRRNCWSO-CQSZACIVSA-N 441.509 3.911 0 40 IHAB CC[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1cc(Cl)ccc1C)CC(=O)N2 40390619 PIXGVSSCVNFDEZ-CABCVRRESA-N 443.935 3.565 0 40 IHAB COC(=O)c1ccc(N2CCCC2)c(NC(=O)N(Cc2cccnc2)C[C@@H]2CCCO2)c1 48301248 JCPPGZKNCHIFSD-FQEVSTJZSA-N 438.528 3.682 0 40 IHAB CC[C@@H]1CCCCN1C(=O)Cn1c(=O)n(-c2cc(C)cc(C)c2)c(=O)c2sccc21 57492135 OLOWMELCOOMDFU-QGZVFWFLSA-N 425.554 3.622 0 40 IHAB C[C@@H](OC(=O)c1cccc(-n2cc(Br)cn2)c1)C(=O)N(C)c1ccccc1 58014176 POQCDXWWAYNFKP-CQSZACIVSA-N 428.286 3.843 0 40 IHAB COC(=O)c1ccc(NC(=O)CSc2nnc(COc3cccc(C)c3C)o2)cc1 59176180 BZKYPGLMEMKGAW-UHFFFAOYSA-N 427.482 3.783 0 40 IHAB O=S(=O)(c1ccc(NCC2(c3ccc4c(c3)OCO4)CCOCC2)cc1)C(F)F 65564313 MTKNCRLXTYIFFO-UHFFFAOYSA-N 425.453 3.572 0 40 IHAB Cc1cnc(CCNC(=O)C2(Cc3cccc([C@@H]4CCCN(C)C4)c3)CCOCC2)s1 72372263 BBFOFFVPGLFYTR-JOCHJYFZSA-N 441.641 3.959 0 40 IHAB COc1cccc(OC)c1C(=O)N1CCNC(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)C1 72390993 SJBNYZBQWCYEPC-JOCHJYFZSA-N 444.531 3.802 0 40 IHAB CCOC(=O)C1(Cc2cc(-c3ccc(F)cc3)no2)CCN(C(=O)[C@]2(C)CCCO2)CC1 72394000 PVAODSJLKWSJHV-QHCPKHFHSA-N 444.503 3.764 0 40 IHAB CCN(CC)CCOc1ccccc1NC(=O)N1CCC[C@@H](c2nncn2C2CC2)C1 95460844 XVGGGIYCURWMMU-GOSISDBHSA-N 426.565 3.745 0 40 IHAB COc1ccc(Br)c(C(=O)N2CCC[C@H]2CS(=O)(=O)c2ccccc2)c1 96366837 IQERFCTYPOEYIW-AWEZNQCLSA-N 438.343 3.536 0 40 IHAB O=S(=O)(c1ccc(N2CCCC2)c(NCc2ccc(Cl)s2)c1)N1CCOCC1 97058624 CYMYAPDGBITHOS-UHFFFAOYSA-N 442.006 3.635 0 40 IHAB COc1ccc(-c2cc(N3CCN(C(=O)c4cccc(OC(F)(F)F)c4)CC3)[nH]n2)cc1 98212559 ONJVRPAIHLVAAA-UHFFFAOYSA-N 446.429 3.946 0 40 IHAB CCOC(=O)Cn1/c(=N/C(=O)c2ccccc2Br)sc2cc(F)ccc21 100877296 TWDHHQJRAQKZDG-UZYVYHOESA-N 437.290 3.909 0 40 IHAB CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(OC)c2)=N[C@H]1c1cccs1 103828673 GQZXRVJWLFJLKH-IBGZPJMESA-N 445.566 3.966 0 40 IHAB CCCCNC(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccc(SC)cc1 113937308 JUHHILOLBBIFNA-UHFFFAOYSA-N 436.599 3.919 0 40 IHAB COc1ccc(Cl)cc1NC(=O)COC(=O)c1cccc(NC(=O)C(F)(F)F)c1 138807213 BLZTZPIMHFTKQK-UHFFFAOYSA-N 430.766 3.645 0 40 IHAB CCOC(=O)c1cc(NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)ccc1Cl 216331172 XGQMLNPJBPXNOT-UHFFFAOYSA-N 438.933 3.538 0 40 IHAB CC(C)(C)OC(=O)N[C@]1(CN)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218058954 WAPZTEYKJAHIHL-LVCYWYKZSA-N 436.961 3.502 0 40 IHAB CN(CCCC(=O)Nc1ccccc1C(=O)c1ccccc1)S(=O)(=O)c1ccccc1 219723345 MOIBHMKPAMEAQK-UHFFFAOYSA-N 436.533 3.957 0 40 IHAB COc1ccc(CCNC(=O)/C(=C/c2ccco2)NC(=O)c2ccc(C)cc2)cc1OC 222978949 LGMQQPMAOPXTCI-PGMHBOJBSA-N 434.492 3.735 0 40 IHAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN(C)C)c(C)n1Cc1cccnc1 223214473 KSJOLIBERDZLRV-RPWUZVMVSA-N 448.640 3.867 0 40 IHAB COc1cc(C)c([C@H](C)NC(=O)[C@@H](c2ccccc2)N(C)S(C)(=O)=O)cc1C(C)C 223381835 WFNXEOINUYSANG-HTAPYJJXSA-N 432.586 3.937 0 40 IHAB COc1ccc(-c2nnc(NC(=O)/C=C/c3ccc(OC)c(OC)c3OC)s2)cc1 223460037 DZQFKQACKZZVBF-XYOKQWHBSA-N 427.482 3.891 0 40 IHAB Cc1cc(OCC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc(C)c1Br 223861040 ODQYQQFRNVTSPU-AWEZNQCLSA-N 440.359 3.726 0 40 IHAB Cc1cccc(OCCNC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c1C 223914206 XGPDKJACVWYRMC-UHFFFAOYSA-N 438.549 3.937 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2C)cc1 224012168 FJQMEAVERMNWIP-UHFFFAOYSA-N 440.477 3.785 0 40 IHAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)o1 225384862 GLJQUVNHSGEKLK-OALUTQOASA-N 428.539 3.532 0 40 IHAB C[C@@H](C(=O)Nc1nnc(-c2ccccc2)s1)N(c1cccc(Cl)c1)S(C)(=O)=O 225387079 XOHOZYWQWAFHLU-LBPRGKRZSA-N 436.946 3.652 0 40 IHAB O=C(C[C@H]1CN(C(=O)C2CCOCC2)CC[C@@H]1Oc1cccc(Cl)c1)N1CCCCC1 257302913 SEYSKXQTRRXSNG-UGKGYDQZSA-N 448.991 3.765 0 40 IHAB CCOc1ccc(N([C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)S(C)(=O)=O)cc1 260843578 ZSAYJSQTFDMVIT-QZTJIDSGSA-N 444.597 3.996 0 40 IHAB COC(=O)CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)C1=O 408549587 VGQYXYZWBLAADG-RQZCQDPDSA-N 449.290 3.947 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)CCc3ccccc3)C2)cc1 408583791 KFDRLWBQUOKVGK-FPOVZHCZSA-N 444.597 3.624 0 40 IHAB CCC[C@H](C)NC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccc(C)cc1 409325414 YJJRANQJKJFNPR-KRWDZBQOSA-N 434.558 3.512 0 40 IHAB CC(=O)N1CCCCCCCN(C(C)C)Cc2cc(C(=O)N3CCC(O)CC3)ccc21 643576221 TYHGHRHMPMWDPD-UHFFFAOYSA-N 429.605 3.811 0 40 IHAB CC(C)(C)OC(=O)N1CC(N[S@](=O)C(C)(C)C)(c2ccc(Br)cc2)C1 1772715102 ABIAPEJNGNAKLM-RUZDIDTESA-N 431.396 3.947 0 40 IHAB CC(C)C[C@@H](C(=O)OCC(=O)Nc1cccc(Cl)c1)N1C(=O)c2ccccc2C1=O 1916999 HQGLKKCYCDJLHK-SFHVURJKSA-N 428.872 3.533 0 40 IHAB CC(C)c1nc2sc3c(SCC(=O)N4CCOCC4)ncnc3c2c2c1CCC2 2401363 SJJBURSTMBNJQT-UHFFFAOYSA-N 428.583 3.803 0 40 IHAB Cc1cc(O[C@@H](C)C(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)cc(C)c1Cl 2414289 DYWDXCOWNAZZHF-JKSUJKDBSA-N 425.934 3.533 0 40 IHAB Nn1c(SCC(=O)N2CCC(Cc3ccccc3)CC2)nnc1-c1ccc(Cl)cc1 3295798 GJUHLZYDFKIAAT-UHFFFAOYSA-N 441.988 3.886 0 40 IHAB O=C(Nc1ccccc1)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)c2ccc(F)cc2)C1 4258935 WMJGZNGRCSLQLC-FUHWJXTLSA-N 446.482 3.891 0 40 IHAB biogenic,in-vitro CCn1c(SCC(=O)N(C)CC(=O)Nc2ccccc2Cl)nnc1-c1ccccc1 9056501 HFLUAKCJVPJRNC-UHFFFAOYSA-N 443.960 3.808 0 40 IHAB CC1=C[C@H]2C[C@@H]1[C@H]1C(=O)N(c3ccc(C(=O)OCC(=O)c4ccc(F)cc4)cc3)C(=O)[C@H]21 9094727 ZYNFFYIKOUYRTA-NTSGDEEZSA-N 433.435 3.567 0 40 IHAB O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)N1CCN(c2ccccc2F)CC1 9208844 HMBBBWQOPZVCBA-UHFFFAOYSA-N 437.544 3.725 0 40 IHAB CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)Nc2sccc2C(N)=O)c1 9256599 NKBHMDWEHAYNTC-UHFFFAOYSA-N 449.941 3.578 0 40 IHAB CCOc1ccc(Oc2ccccc2NC(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)cc1 9387028 OJRADKHBOCMCGZ-UHFFFAOYSA-N 431.448 3.520 0 40 IHAB Cc1cc(OCC(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)c2c(C)cc(=O)oc2c1 9435742 QBLDSTNLQNSXCA-UHFFFAOYSA-N 441.911 3.952 0 40 IHAB COc1cc2c(cc1OC)CN(C(=O)[C@@H]1CC(=O)N(c3cccc4ccccc34)C1)CC2 9500412 WFXZBRGFLXXZAE-HXUWFJFHSA-N 430.504 3.795 0 40 IHAB CCN(CC)C(=O)Cn1cc(C(=O)C(=O)Nc2cc(Cl)ccc2OC)c2ccccc21 9518837 FVUCAGOVSSTDHK-UHFFFAOYSA-N 441.915 3.993 0 40 IHAB COc1ccc(NC(=O)c2c(F)cccc2Cl)cc1S(=O)(=O)N1CCCCC1 9632709 XVXXLWDYWJIDFQ-UHFFFAOYSA-N 426.897 3.915 0 40 IHAB Cc1cc(=O)oc2cc(OCC(=O)N3c4ccccc4NC(=O)C[C@@H]3C)c(Cl)cc12 10214176 UZECIBQCMRKBOO-ZDUSSCGKSA-N 426.856 3.898 0 40 IHAB CCCCN1C[C@@H](C(=O)Nc2ccc(C(=O)Nc3cc(OC)ccc3OC)cc2)CC1=O 10462026 HIQKASQOJJDNSJ-KRWDZBQOSA-N 439.512 3.543 0 40 IHAB CCC[C@H](C)NC(=O)CN1c2ccc(Br)cc2-c2ccccc2S1(=O)=O 11120995 CAFWSRVUXRWKEJ-ZDUSSCGKSA-N 437.359 3.930 0 40 IHAB O=C(CCCc1nc2ccccc2s1)N1CCC(NS(=O)(=O)c2cccs2)CC1 11450860 AGTJDIMNUZUWMW-UHFFFAOYSA-N 449.623 3.650 0 40 IHAB COc1ccc(-n2nnc(C(=O)OCc3nc(-c4ccccc4OC)oc3C)c2C)cc1 12415659 HAPWWJAGUCFLSK-UHFFFAOYSA-N 434.452 3.913 0 40 IHAB CCN1C[C@@H](CN(C)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)Oc2ccccc21 12543850 OQXNJPZTSDAVEH-FAFRJYIDSA-N 442.604 3.690 0 40 IHAB COc1ccc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc1S(=O)(=O)NC1CC1 12771240 JQSIJUWKMALQQD-UHFFFAOYSA-N 434.517 3.959 0 40 IHAB COCCn1c(C)cc(C(=O)COC(=O)/C=C/c2cc(Cl)c(OC)c(OC)c2)c1C 13041688 SMSHZIPQOFKBMS-VOTSOKGWSA-N 435.904 3.861 0 40 IHAB COC(=O)c1c(NC(=O)CN2CCN(c3cc(Cl)ccc3C)CC2)sc(C)c1C 13117409 NOIKVDWXQKSJFI-UHFFFAOYSA-N 435.977 3.874 0 40 IHAB CC[C@H](c1nnnn1C1CCCCC1)N(CCCO)Cc1cc2cc(C)ccc2[nH]c1=O 13495991 GEHWBXNMYZGEIM-JOCHJYFZSA-N 438.576 3.664 0 40 IHAB COc1cccc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)c1 13585143 STQDXNRYKRZVOR-UHFFFAOYSA-N 440.521 3.846 0 40 IHAB COc1ccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)cc1C(=O)N1CCCCCC1 13674615 MMSXNVTYJKNDLX-KRWDZBQOSA-N 428.554 3.851 0 40 IHAB CCn1c(CC(=O)Nc2ccccc2F)nnc1SCC(=O)Nc1c(F)cccc1F 13956585 FZPFOZSNSCASIF-UHFFFAOYSA-N 449.458 3.627 0 40 IHAB CN(CC(=O)NCCSc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 15028511 LHDYCCWCEWWGFE-UHFFFAOYSA-N 433.382 3.522 0 40 IHAB Cc1ccc(CN(C(=O)c2cc(=O)c3c(C)cc(C)cc3o2)[C@H]2CCS(=O)(=O)C2)cc1 15831241 MFUIYTOZXJNXSB-IBGZPJMESA-N 439.533 3.548 0 40 IHAB Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)Oc2ccccc2F)cc(=O)[nH]1 19240953 QHJAKFNDJCZVOM-VLIAUNLRSA-N 434.471 3.566 0 40 IHAB CCOc1cc(CN2CCC[C@@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)ccc1OC 19531954 POJORGPZLBIGKC-JTDSTZFVSA-N 439.482 3.885 0 40 IHAB COc1ccc(CC(=O)N2CC[C@](Cc3ccccc3-c3cccs3)(C(N)=O)C2)cc1 19554043 YQTIDWKTXUGBCY-RUZDIDTESA-N 434.561 3.913 0 40 IHAB Cc1nc(C2CCN(Cc3ccnn3C)CC2)nc2c1CCCN2CCc1ccccc1 19705678 YMMDSHRPJSGUAO-UHFFFAOYSA-N 430.600 3.893 0 40 IHAB Cc1nc(C2CCN(C(=O)CCCc3ccccn3)CC2)nc2c1CCC(=O)N2CC(C)C 19739268 OJKIIZYCUXRNTQ-UHFFFAOYSA-N 449.599 3.844 0 40 IHAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 20038635 SPHPCMCYXWIBHQ-CQSZACIVSA-N 431.901 3.942 0 40 IHAB Cc1cc(S(=O)(=O)NCCSCc2ccccc2Cl)ccc1N1CCCC1=O 20459440 AVPUEALCFNBUHG-UHFFFAOYSA-N 439.002 3.987 0 40 IHAB COc1ccc(C(=O)Oc2ccc(Cl)c3cccnc23)cc1S(=O)(=O)NC(C)C 21438267 IZLYNVUJIQFHRL-UHFFFAOYSA-N 434.901 3.803 0 40 IHAB O=C(CN1N=C(c2ccccc2)c2ccccc2S1(=O)=O)Nc1cccc(Cl)c1 21730934 HMBYBKHFQWWGNA-UHFFFAOYSA-N 425.897 3.735 0 40 IHAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)Oc1ccc2cc(Br)ccc2c1 21889510 XLXQEUIZBQXLBI-UHFFFAOYSA-N 431.286 3.762 0 40 IHAB C[C@@H](Sc1nnc(-c2ccccc2F)o1)C(=O)N1CCN(Cc2ccccc2)CC1 22056101 SYKNOVFCMLYLBP-MRXNPFEDSA-N 426.517 3.701 0 40 IHAB CCOc1ccccc1NC(=O)Cn1nc(C2CC2)c2cnn(-c3ccc(F)cc3)c2c1=O 22768031 QBEVDZPMUAONOB-UHFFFAOYSA-N 447.470 3.636 0 40 IHAB Cc1cccc(C)c1NC(=O)CN1CCN(Cc2nnc(-c3ccccc3Cl)o2)CC1 22915629 YKPDSWREEOGJKX-UHFFFAOYSA-N 439.947 3.763 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)s1 25768108 ZMBAOSOFYMMNAO-MRXNPFEDSA-N 448.566 3.890 0 40 IHAB CC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2cc3c(cc2Cl)OCCCO3)cc1 26987506 WFDBKOBCIVRZGL-UHFFFAOYSA-N 438.933 3.830 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3nc4c(s3)CCCCC4)C2)s1 28617846 ACTXYAUSMVHLTD-CQSZACIVSA-N 439.628 3.821 0 40 IHAB Cc1ccc(NC(=O)CN(C)C(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)cc1 30857444 NVMPZJPTDXQVOR-UHFFFAOYSA-N 441.487 3.502 0 40 IHAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)CSc2nnnn2C2CCCC2)cs1 31627191 NTELDDPHBMQOMX-UHFFFAOYSA-N 426.571 3.902 0 40 IHAB O=C(CCSc1nncn1-c1cccc(Cl)c1)N1CCN(c2ccc(F)cc2)CC1 32777173 LRGITDYZCYFGIJ-UHFFFAOYSA-N 445.951 3.891 0 40 IHAB Cc1nn(CC(C)C)c(Cl)c1C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 32980048 DTEZLKBPLPQLMW-UHFFFAOYSA-N 426.951 3.766 0 40 IHAB Cc1cccc(N(C(=O)c2csnn2)[C@@H](C(=O)NCc2ccccc2)c2ccccn2)c1 35312133 RBGOZQMNZPDPRB-JOCHJYFZSA-N 443.532 3.946 0 40 IHAB CN(CCCNC(=O)C1CCN(C(=O)CCc2ccccc2)CC1)c1ccccc1F 40156988 LVJHOVKBNFBAEL-UHFFFAOYSA-N 425.548 3.640 0 40 IHAB COC(=O)CCN1CCN(C(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)CC1 48326588 KUJCMQMADCDWSV-UHFFFAOYSA-N 435.549 3.798 0 40 IHAB Cc1nn(-c2ccccc2)c(Cl)c1CS(=O)(=O)CCC(=O)Nc1ccccc1F 59744922 ALACSHVRSWJUBT-UHFFFAOYSA-N 435.908 3.917 0 40 IHAB O=C(Cn1nc2ccc(-c3ccc(Cl)cc3)nn2c1=O)c1ccc(Br)s1 67207002 FGZNAWMDESCJRJ-UHFFFAOYSA-N 449.717 3.918 0 40 IHAB Cc1cccc(NC(=O)Cn2cnc3nc(N(C)Cc4ccccc4)sc3c2=O)c1C 67225798 DNTMWAKNAQPIEX-UHFFFAOYSA-N 433.537 3.745 0 40 IHAB COc1ccc(/C=C/C(=O)N2CCc3nc(NC(=O)c4ccco4)sc3C2)cc1OC 70638493 UMBBDXSCSMRABC-SOFGYWHQSA-N 439.493 3.604 0 40 IHAB CC(=O)N1c2ccc([C@@H](O)CN3CCC[C@](O)(c4ccc(F)cc4)CC3)cc2C[C@@H]1C 72343041 JAKBBXJVHXQKSW-WGXRPPGPSA-N 426.532 3.530 0 40 IHAB CN(C(=O)CN1CCC[C@H](c2cc(C(F)(F)F)c3c(N)n[nH]c3n2)C1)C1CCCCC1 72374481 ZKMMFXCHMWQWOH-ZDUSSCGKSA-N 438.498 3.529 0 40 IHAB COc1cccc(N2C[C@@H](C(=O)N3CCC(CSc4nc(C)cs4)CC3)CC2=O)c1 90608113 CGUGZQSXVFMMJV-KRWDZBQOSA-N 445.610 3.844 0 40 IHAB CSc1ccc(S(=O)(=O)N[C@H](c2cccc(C(F)(F)F)c2)c2nc[nH]n2)cc1 97162126 WYFRBDMQMCZMEK-OAHLLOKOSA-N 428.461 3.613 0 40 IHAB CNC(=O)c1cccc(NC(=O)N[C@H]2CCN(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)n1 97164750 OMAFYZQCQUQKKF-LPHOPBHVSA-N 433.915 3.579 0 40 IHAB COc1cccc(OC[C@@H]2[C@@H]3CC[C@H](C3)N2C(=O)c2cc(OC)c(OC)c(OC)c2)c1 100112206 JAVAMLPZBFIAOI-WRWLIDTKSA-N 427.497 3.793 0 40 IHAB CCN(CC)[C@H]1CCN([C@H](C)C(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)C1 106920891 OKHZJUBWCHQKPM-NQIIRXRSSA-N 438.572 3.691 0 40 IHAB Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)N(C)Cc1ccccc1 108257016 OPUDFBBFRQTICJ-UHFFFAOYSA-N 430.570 3.643 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2ccc(CC)cc2)S(C)(=O)=O)cc1 220279908 XHRWRUYDTAXRBS-QGZVFWFLSA-N 446.569 3.999 0 40 IHAB CCCCNC(=O)c1ccccc1NC(=O)[C@H](CC)N(c1cccc(C)c1)S(C)(=O)=O 220511134 KNSLTBFURZVMST-NRFANRHFSA-N 445.585 3.708 0 40 IHAB CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)c(Br)c(C)c1 222475588 QPVCVZDTKBXJFD-QGZVFWFLSA-N 447.373 3.916 0 40 IHAB CN(C(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)c1ccccc1 222709252 XQKGJLUYHBIMQJ-UHFFFAOYSA-N 436.533 3.870 0 40 IHAB O=C(O)c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1 223319589 FXLAJSFQBKJBFK-VLCRHTCISA-N 448.548 3.722 0 40 IHAB CCc1cccc(C)c1NC(=O)c1cnc(CN(C)S(=O)(=O)c2ccc(C)cc2)nc1 223381886 RSMCBYISHQGSOB-UHFFFAOYSA-N 438.553 3.729 0 40 IHAB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2sc3c(c2C(=O)OC)CCCC3)c1 223869677 VCOQQUZBLJUURX-UHFFFAOYSA-N 443.930 3.654 0 40 IHAB COc1ccc(CNC(=O)c2cccc(S(=O)(=O)Nc3cccc(C)c3)c2)c(OC)c1 224077778 NZJZQQZDOGMFLK-UHFFFAOYSA-N 440.521 3.743 0 40 IHAB CCc1ccccc1N(CCCC(=O)NCCOc1ccc(C)c(C)c1)S(C)(=O)=O 224661529 HXDZJEOLHJUOBL-UHFFFAOYSA-N 432.586 3.607 0 40 IHAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 225570639 VBHTVNYSAGMPGN-FQEVSTJZSA-N 428.554 3.812 0 40 IHAB c1csc(CN2CCN(CC3CC3)[C@@H](c3cn4c(N5CCOCC5)cccc4n3)C2)c1 306125940 DGNYXVQSWMPMSO-JOCHJYFZSA-N 437.613 3.501 0 40 IHAB CCCc1nc(S/C(=C\c2cc(Cl)c(OCC(=O)O)c(Cl)c2)C(=O)O)n[nH]1 408631850 MHOKNBQHBXLRIH-WDZFZDKYSA-N 432.285 3.745 0 40 IHAB Cc1ccc(CSCCNC(=O)CCCN(c2ccc(C)cc2)S(C)(=O)=O)cc1 408695634 WXXULRUSYCEING-UHFFFAOYSA-N 434.627 3.899 0 40 IHAB CCOc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)c3ccccc3)n2)cc1 1365582 KYPFTADNDHKIIO-UHFFFAOYSA-N 442.479 3.630 0 40 IHAB COc1ccc(C(=O)Nc2ncc3c(n2)C[C@@H](c2ccc(OC)c(OC)c2)CC3=O)cc1 2104420 ZUOBGDKIPVNTNR-MRXNPFEDSA-N 433.464 3.667 0 40 IHAB biogenic CC1(C)SC(=S)N(CCc2ccccc2F)[C@H]1n1oc(=O)n(-c2ccccc2)c1=O 2217261 HDYQZPBUXYWXSR-KRWDZBQOSA-N 445.541 3.585 0 40 IHAB COc1cccc(Cn2nc(C)c(NS(=O)(=O)c3c(C)nn(C(F)F)c3C)c2C)c1 2805047 GEOWZUZROZQJBW-UHFFFAOYSA-N 439.488 3.566 0 40 IHAB CCOC(=O)[C@@H](C)Sc1nnc(CNC(=O)c2ccc(OC)cc2)n1C1CCCCC1 4034833 USBFEPXVZKJDSA-OAHLLOKOSA-N 446.573 3.766 0 40 IHAB COc1ccc(-c2nc(C)c(CCNC(=O)C(=O)Nc3cccc(F)c3)s2)cc1OC 8601161 SVKSHPZQHKDJMX-UHFFFAOYSA-N 443.500 3.572 0 40 IHAB Cc1ccc2cc(CN(C[C@H]3CCCO3)C(=S)NCc3ccco3)c(=O)[nH]c2c1C 8829228 TYNMFTZNIMQJED-HXUWFJFHSA-N 425.554 3.794 0 40 IHAB CC(=O)Nc1cccc(NC(=O)CSc2nc(CC(=O)N3CCCCCC3)cs2)c1 8849909 AXLDWQFDMXWEHX-UHFFFAOYSA-N 446.598 3.777 0 40 IHAB COCCC1=NN(C(=O)c2cc(-c3cccnc3)nc3ccccc23)[C@](O)(C(F)(F)F)C1 9090681 AVTVOKLBIBYVGD-OAQYLSRUSA-N 444.413 3.786 0 40 IHAB CCCCCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 9095017 WQXASOMYOZKQMX-UHFFFAOYSA-N 432.542 3.529 0 40 IHAB COc1ccc(Br)cc1CN(C)C(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 9156489 XRUNMXNEEJSOPC-AWEZNQCLSA-N 435.293 3.608 0 40 IHAB COc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 9525975 RFOCCUDFMSFECE-GFCCVEGCSA-N 437.279 3.537 0 40 IHAB O=C(N[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C1c2ccccc2Oc2ccccc21 9630572 ZIGOEUXUOPGGSO-MRXNPFEDSA-N 442.471 3.617 0 40 IHAB Cc1cc(NC(=O)CSc2nnc(Cc3csc(C)n3)o2)n(-c2ccccc2)n1 9883630 XRXFWOPAUWIHAI-UHFFFAOYSA-N 426.527 3.650 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)C2(C(=O)OCC(=O)N3CCc4ccccc43)CCCC2)c1 10559497 YBJXCSPWYZEYRQ-UHFFFAOYSA-N 441.549 3.522 0 40 IHAB CC1=C(C(=O)N2CCOCC2)[C@H](c2cccc(C#N)c2)NC(=S)N1c1ccc(C)c(C)c1 11208710 YSFFOSVQEMQSFK-QHCPKHFHSA-N 446.576 3.744 0 40 IHAB C[C@H](C(=O)N1CCC2(CC1)C[C@]1(CO2)NC(=O)c2cc(Cl)ccc2N1)c1ccccc1 12085532 FXULNVWODIJXFU-UPCLLVRISA-N 439.943 3.777 0 40 IHAB CCCC[C@]1(C(=O)OC)N[C@@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 12497376 ULJQRIQFIWZTKL-MSZDEVHKSA-N 434.536 3.856 0 40 IHAB O=C(c1cccs1)N1CCC(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC1 12599117 POVWNJGVLMJQGQ-GOSISDBHSA-N 426.538 3.735 0 40 IHAB C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3cc(F)c(F)cc3Cl)cc2)C[C@@H](C)O1 12762956 LKAXRLXMUFQNAO-VXGBXAGGSA-N 444.887 3.668 0 40 IHAB COc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCC(C(=O)NCc2ccccc2)CC1 12782680 ZUVWYFZTYKNBEA-INIZCTEOSA-N 429.948 3.704 0 40 IHAB Cc1cc(C(=O)CSc2nnc(-c3cccs3)n2CCC(N)=O)c(C)n1C1CC1 12809741 IDIPZSUCKQSVLS-UHFFFAOYSA-N 429.571 3.610 0 40 IHAB O=C(c1ccc(OC(F)(F)F)cc1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 12817255 NJWBFQUMCIRWOQ-MRXNPFEDSA-N 447.413 3.643 0 40 IHAB Cc1ccc(CN2C[C@H](C(=O)N(C)CC(=O)Nc3c(Cl)cccc3Cl)CC2=O)cc1 12979940 SFZMEKWEJBFHOW-MRXNPFEDSA-N 448.350 3.747 0 40 IHAB Cc1ccc(N2C(=O)C[C@@H](C(=O)Nc3cccc(-n4cnnn4)c3)[C@@H]2c2cccs2)cc1 13062985 YIYIFXGTUDAHMS-DENIHFKCSA-N 444.520 3.765 0 40 IHAB CCOc1ccccc1OCC(=O)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 13095778 PBMRYBLULHMPKX-UHFFFAOYSA-N 448.475 3.762 0 40 IHAB O=C(CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)N[C@@H]1CCSc2ccc(F)cc21 13163393 NUWKOMMJRJDKCI-GOSISDBHSA-N 449.511 3.534 0 40 IHAB CCCCN(C(=O)CNC(=O)c1ccco1)[C@@H](C(=O)NC1CCCCC1)c1cccs1 13507680 RWAGOFLZVOBCHZ-OAQYLSRUSA-N 445.585 3.890 0 40 IHAB COc1ccc2[nH]cc(CCNC(=O)COc3ccc4c5c(c(=O)oc4c3C)CCC5)c2c1 13592569 GABUZWJQBZILGY-UHFFFAOYSA-N 446.503 3.818 0 40 IHAB CCOC(=O)c1cccc(NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c1 13668322 MKRDUAJGSWHRNB-UHFFFAOYSA-N 445.324 3.575 0 40 IHAB O=C(Cn1c(=O)n2nc(-c3ccncc3)nc2c2c3c(sc21)CCCC3)c1ccccc1 13728620 TWDFDRKFZNVLEH-UHFFFAOYSA-N 441.516 3.929 0 40 IHAB O=C([C@@H]1CN(C(=O)[C@H]2COc3ccc(Cl)cc3C2)c2ccccc2O1)N1CCCCC1 13986184 AZBRIOPJCGDHHK-VGSWGCGISA-N 440.927 3.698 0 40 IHAB O=C(COc1ccc2c(c1)CCC2)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl 14189918 ZXHPTEZFMBHOCE-UHFFFAOYSA-N 434.945 3.631 0 40 IHAB COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccc(N3CCCC3)cc2)c(F)c1F 17095353 AMQFXEPQEXSENF-UHFFFAOYSA-N 427.423 3.979 0 40 IHAB Cn1ccnc1[C@H](NC(=O)c1cccc(I)c1)c1cccc(F)c1 18235943 PJUVUSZQILTPFT-MRXNPFEDSA-N 435.240 3.683 0 40 IHAB Cc1ccc(CC(=O)N2CCC[C@H](c3nn(C)cc3-c3ccnc(N4CCCC4)n3)C2)cc1 19209450 OERJWDUQDJJKAQ-NRFANRHFSA-N 444.583 3.734 0 40 IHAB CCc1ncc(CN2CCN(C)C(=O)[C@@H](Cc3ccc(-c4ccc(OC)cc4)cc3)C2)cn1 19523423 MDBPYEBVXZDULM-DEOSSOPVSA-N 444.579 3.848 0 40 IHAB CCn1ncc(CN2CCC([C@@H]3C[C@H](C(=O)Nc4ccc(F)cc4)CN3C)CC2)c1C 19523932 WASZKEBCFSFDHY-CVDCTZTESA-N 427.568 3.522 0 40 IHAB CCOc1ccc(CC(=O)N2CC[C@](Cc3ccccc3-c3ccncc3)(C(N)=O)C2)cc1 19532782 AMSOQWBYRRFZBC-HHHXNRCGSA-N 443.547 3.637 0 40 IHAB COc1ccc(CN2CCN(C)C(=O)[C@H](Cc3ccccc3-c3ccncc3)C2)cc1OC 19589680 BAYRVAQJCCQQAP-HSZRJFAPSA-N 445.563 3.899 0 40 IHAB COCCNC(=O)c1sc2ncccc2c1[C@@H]1CCN(Cc2c[nH]nc2C(C)(C)C)C1 19702593 XNPJACGKGKUOBI-OAHLLOKOSA-N 441.601 3.683 0 40 IHAB Cc1cccc(CN2CCO[C@@H](c3c(C(=O)N4CCOCC4)sc4ncccc34)C2)c1 19703244 ILGLXRIPSYJBNX-HXUWFJFHSA-N 437.565 3.651 0 40 IHAB Cc1nc([C@H]2CCCN2C(=O)c2cc(C3CC3)n[nH]2)nc2c1CCC(=O)N2CCC(C)C 19741827 YBDHWYVYHZQORB-HXUWFJFHSA-N 436.560 3.688 0 40 IHAB Cc1ccc([C@H]2CCCN2C(=O)Cn2cccc(C(=O)NCc3ccccc3)c2=O)cc1C 19750764 WLOLRUXFMOMKHC-XMMPIXPASA-N 443.547 3.759 0 40 IHAB CC(C)CNC(=O)c1cc([C@@H]2CN(C(=O)Cc3cccc(F)c3)CCO2)nc2ccccc12 19759381 ICJDXNNNEALXJQ-DEOSSOPVSA-N 449.526 3.902 0 40 IHAB Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cc(F)ccc2C)cc1 19930911 HWNCNBZVHSXMJZ-QFIPXVFZSA-N 426.513 3.971 0 40 IHAB COc1ccc(OC)c(NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)c1 19947635 XFDCGOZNICFUDB-UHFFFAOYSA-N 440.521 3.922 0 40 IHAB CCC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1OC 20009883 VZNRBEOPQUGAFV-CRAIPNDOSA-N 438.977 3.543 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@H]2CC(O)=Nc3c(-c4ccc(OC)cc4)cnn32)cc1 20738628 VGJGSKNKSIMZNW-LJQANCHMSA-N 434.452 3.907 0 40 IHAB CCn1cc2nc(SCC(=O)Nc3ccccc3)n(Cc3ccc(C)cc3)c(=O)c2n1 20981610 JHLKNUUENVKGLH-UHFFFAOYSA-N 433.537 3.700 0 40 IHAB CCCn1c(CCC(=O)N[C@H](C)C(C)C)nc2cc(S(=O)(=O)N(CC)CC)ccc21 21871761 ZAOTTWPZRJAFCS-QGZVFWFLSA-N 436.622 3.570 0 40 IHAB COc1ccc([C@H](CNCc2ccc(OC)c(Br)c2)N2CCOCC2)cc1 25261995 ONZBHKIURXIXTC-FQEVSTJZSA-N 435.362 3.629 0 40 IHAB CSc1ccc(/C=c2/sc3nc(-c4ccccc4Br)nn3c2=O)cc1 26533764 MIXYMWXJLLYWPB-XNTDXEJSSA-N 430.352 3.850 0 40 IHAB C[C@@H]1CCC[C@H](NC(=O)[C@@H](C)N(C)Cc2ccc(C(=O)NCC(F)(F)F)cc2)[C@@H]1C 27301963 GEOGMSHZSONSMG-NNFUDEMPSA-N 427.511 3.740 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(-n3cccn3)cc2C(F)(F)F)cc1OC 31722372 FUQBQGWIKIIZHJ-UHFFFAOYSA-N 427.404 3.709 0 40 IHAB CC(=O)N1CCc2cc(NC(=O)c3cnn(-c4ccccc4F)c3-n3cccc3)ccc21 32410800 RYOZPDOUNNRBFO-UHFFFAOYSA-N 429.455 3.963 0 40 IHAB Cc1ccc(NC(=O)CS[C@H](C)C(=O)O[C@@H](C)C(=O)N(C)Cc2ccccc2)cc1 32738653 VAPJPRWWWREPBS-ZWKOTPCHSA-N 428.554 3.646 0 40 IHAB COc1ccc([C@@H]2CCCCCN2C(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)cc1 32810731 IWNLRDDYSZANNR-FQEVSTJZSA-N 427.545 3.736 0 40 IHAB Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)C[C@@H]2OC(=O)c3ccccc32)c1C 32970883 NEGLQHYFZLXSIN-GCJKJVERSA-N 436.508 3.551 0 40 IHAB CN(C)S(=O)(=O)c1ccc(COc2ccccc2C(=O)NCc2ccccc2Cl)o1 38489249 TYBVSDHPWSSVOI-UHFFFAOYSA-N 448.928 3.692 0 40 IHAB CCc1ccc([C@H](NC(=O)CN(C)S(=O)(=O)c2cccs2)c2cccs2)cc1 39980609 HGJPSBTUOBYFOK-FQEVSTJZSA-N 434.608 3.898 0 40 IHAB Cc1cc(C(=O)CSc2nc(-c3ccccc3)c[nH]2)c(C)n1[C@H]1CCS(=O)(=O)C1 48252753 KESTYJQLJDMDOO-KRWDZBQOSA-N 429.567 3.830 0 40 IHAB COc1ccc(-c2csc(NC(=O)c3csc(-c4cnn(C)c4)n3)n2)c(OC)c1 48343109 HDFYMURORHHYKV-UHFFFAOYSA-N 427.511 3.937 0 40 IHAB Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)NCCC3=CCCCC3)c2=O)c(C)c1 57492893 FCSNOLOWMWLSJB-UHFFFAOYSA-N 437.565 3.837 0 40 IHAB Cc1c(C)c(C)c(S(=O)(=O)N2CCN([C@H](C)c3nc(C4CC4)no3)CC2)c(C)c1C 59374066 UHTYMAJLPDQGSX-GOSISDBHSA-N 432.590 3.557 0 40 IHAB O=C(Cn1c(C(F)(F)F)nc2cc3c(cc21)OCCO3)NCc1ccccc1Cl 64814480 UKEDGQRMYMFKKK-UHFFFAOYSA-N 425.794 3.796 0 40 IHAB CC(=O)N1CCc2cc(C(=O)Nc3ccc(N4CCOCC4)cc3C(F)(F)F)ccc21 65492592 KEEUQUCYMGMEOJ-UHFFFAOYSA-N 433.430 3.703 0 40 IHAB COc1ccc(-c2ccc(C[C@@H]3CN(C(=O)c4cccc(F)c4)CCNC3=O)cc2)cc1 72390999 WGQAHGUDHUETRN-JOCHJYFZSA-N 432.495 3.932 0 40 IHAB CCOc1ccc(O[C@@H](C)C(=O)Nc2cc(N3CCN(c4ccccc4)CC3)ncn2)cc1 77200541 WUTVYSSVXBUMAM-IBGZPJMESA-N 447.539 3.608 0 40 IHAB O=C(Nc1cccc(Oc2ccccc2)c1)[C@@H](c1ccccc1)N1CCS(=O)(=O)CC1 89825882 QEWWRNBSOQRIQG-HSZRJFAPSA-N 436.533 3.889 0 40 IHAB COc1ccc([C@](C)(O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 89904835 IFEVOXKDMXJQPQ-OALUTQOASA-N 429.460 3.775 0 40 IHAB Cc1ccc(NC(=O)c2ncn3c2CN(CCC(C)C)S(=O)(=O)c2ccccc2-3)cc1 96266265 LQRPOGJUJOVPBU-UHFFFAOYSA-N 438.553 3.983 0 40 IHAB C[C@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3)C(=O)NC[C@H]1CC[C@H](C(=O)O)CC1 101216680 QKRZEZBFCPKTNX-MELADBBJSA-N 447.915 3.710 0 40 IHAB Cc1ccc(N2C(=O)/C(=C\Nc3ccc(S(N)(=O)=O)cc3)c3ccccc3C2=O)cc1C 102582198 MQKNBNILQWJLLJ-HMAPJEAMSA-N 447.516 3.591 0 40 IHAB O=C(CCNC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)N1CCN(c2ccc(F)cc2)CC1 103469645 AUJJVINKXVFNAJ-RDNZODCXSA-N 447.982 3.558 0 40 IHAB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](CC)N(c2cc(C)cc(C)c2)S(C)(=O)=O)c1 220577953 VNMKTKCJGUYLJJ-OAQYLSRUSA-N 446.569 3.972 0 40 IHAB CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccccc1F 223080300 DJJWUJDFCZCXSF-AWEZNQCLSA-N 437.309 3.520 0 40 IHAB C[C@@H](CNC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1)c1ccccc1 224364378 MVUZUURVWQWIEU-KRWDZBQOSA-N 434.989 3.802 0 40 IHAB O=C(Nc1ccc(N2CCCCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 224980474 JORFQDZRZGRTCF-LJQANCHMSA-N 427.570 3.716 0 40 IHAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(OC)c(OC)c1 225003949 UIHQTGSFPWLWOG-OALUTQOASA-N 426.557 3.968 0 40 IHAB COc1ccccc1[C@H](C)NS(=O)(=O)c1ccc(SC)c(C(=O)N2CCCC2)c1 225488577 WKLYTNBQNZGMIW-HNNXBMFYSA-N 434.583 3.693 0 40 IHAB CN(CC(=O)NCCSCc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 225611191 JIEBBAVQCZVGGJ-UHFFFAOYSA-N 447.409 3.664 0 40 IHAB Nc1ccc(-c2cccc(C(=O)N3CCOC[C@@H](Cc4cnc5ccccc5c4)C3)n2)cn1 257212146 CCCUVLSUNRXOHK-IBGZPJMESA-N 439.519 3.605 0 40 IHAB Cc1ccc2c(c1)OC(C)(C)[C@H]1CC3(CO[C@H]21)CN(C(=O)c1cccc(-n2cnnc2)c1)C3 257223845 DZEDIEMKAVRAGF-JTHBVZDNSA-N 444.535 3.967 0 40 IHAB COc1cccc(Cc2cccc([C@H]3CN(C(=O)c4cn5ccc(C)cc5n4)CCO3)n2)c1 257240241 HSRKTSUEOFXUKI-XMMPIXPASA-N 442.519 3.851 0 40 IHAB COc1ccc(OCCCNC(=O)[C@H]2C[C@H]3CC[C@H]2C[C@@]32NC(=O)c3ccccc3N2)cc1 257262099 LKAIGPQVDSDBLQ-JTYGXZLJSA-N 449.551 3.568 0 40 IHAB CCN(C(=O)c1c[nH]nc1C1CCN(C(=O)[C@H]2CC[C@H](OC)CC2)CC1)c1ccccc1 257285769 PITUSWIOFZHTAG-XUTJKUGGSA-N 438.572 3.988 0 40 IHAB COc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2Cl)cc1 408558741 SKULBCIMJNSBCI-UHFFFAOYSA-N 438.933 3.541 0 40 IHAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)cc1 408591635 IXCQXTIXNLUVLC-SFHVURJKSA-N 438.549 3.658 0 40 IHAB CC(=O)Nc1ccc(NC(=O)COC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)c2ccccc2)cc1 408669924 XNMHDFKEVNYVGG-HTUUBCJYSA-N 434.492 3.672 0 40 IHAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2SC)C1 408713528 GGTKWCRLDIXCMI-AWEZNQCLSA-N 438.546 3.596 0 40 IHAB CCOC(=O)N1CCN(C(=O)C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)CC1 409063229 JCQDTCAUAWVNFD-UHFFFAOYSA-N 449.551 3.507 0 40 IHAB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)Nc1ccc(Cl)c(C(F)(F)F)c1 409134020 VHYXDOXUBIVZQO-GFCCVEGCSA-N 440.805 3.894 0 40 IHAB COc1cc(Cl)c(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@H]3C)C2=O)cc1OC 409214940 YTWGKQSJVMRJFX-AXIYWZQUSA-N 438.933 3.795 0 40 IHAB COc1cc([C@H](CC(=O)NCCCc2ccccc2)c2oc(C)cc(=O)c2O)ccc1O 524731832 MAXHIIIZXORFQC-IBGZPJMESA-N 437.492 3.639 0 40 IHAB biogenic CCCN1CCN(C(=O)c2cnc[nH]2)C[C@@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 585183656 ZSHXNAHOKYQINC-HXUWFJFHSA-N 434.515 3.769 0 40 IHAB CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCc2ccccc2C1 585261662 NVWOATMGLNAVBP-LWSSLDFYSA-N 438.568 3.909 0 40 IHAB CCOc1ccc(NC(=S)N(CCN(C)C)Cc2cc3cccc(C)c3[nH]c2=O)cc1 880616 FGBUDDUUHCHJAJ-UHFFFAOYSA-N 438.597 3.996 0 40 IHAB COC(=O)C1=CN(Cc2ccc(F)cc2)C=C(C(=O)OC)C1c1cccc(OC)c1OC 1459554 ZEYQSTOJCRTLIQ-UHFFFAOYSA-N 441.455 3.556 0 40 IHAB COc1ccc(CCN2C(=O)[C@@H]3Cc4c([nH]c5ccccc45)C(C)(C)N3C2=O)cc1OC 2121295 IZMSTUUJTMUYMQ-IBGZPJMESA-N 433.508 3.852 0 40 IHAB biogenic COc1ccc(CNC(=O)[C@@H](C)OC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)cc1 3302118 QWNQRQWWOOJDKF-MRXNPFEDSA-N 441.915 3.764 0 40 IHAB COc1cc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCCOC(C)C)ccc1O 8022565 NRCIMEYKTHFDFA-NRFANRHFSA-N 425.481 3.794 0 40 IHAB CCCCC(=O)Nc1ccc(C(=O)OCc2cc(=O)n3nc(C4CC4)sc3n2)cc1 8607029 VWKKDMLJHNFADC-UHFFFAOYSA-N 426.498 3.514 0 40 IHAB O=C1C[C@@H](CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CN1c1ccc(Cl)cc1 9036796 JTBHQFFFLPXXSL-LBPRGKRZSA-N 432.851 3.690 0 40 IHAB Cn1c(=O)c2c(nc3n(Cc4ccccc4)c(-c4ccc5ccccc5c4)cn23)n(C)c1=O 9282406 PRRJLGDCRFVBOL-UHFFFAOYSA-N 435.487 3.555 0 40 IHAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1nnc(Nc2ccc(C)cc2)s1 9337359 UNJOADBZZFRAHG-QGZVFWFLSA-N 442.566 3.583 0 40 IHAB Cc1cccc(-c2nc3scc(CCNC(=O)C(=O)Nc4c(C)cccc4C)n3n2)c1 9569088 YARXPODTGOMDMM-UHFFFAOYSA-N 433.537 3.680 0 40 IHAB O=C(C[C@]1(O)C(=O)N(CN2CCCCC2)c2ccccc21)c1ccc(Br)cc1 9584788 UTHQFWWPACKHBR-JOCHJYFZSA-N 443.341 3.700 0 40 IHAB Cc1cc(C)n2c(SCC(=O)N3CCC[C@@H](c4nc5ccccc5s4)C3)nnc2n1 9789346 JAOZHQSTGMXTRJ-OAHLLOKOSA-N 438.582 3.849 0 40 IHAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)N1CCC(C(=O)N2CCCCCC2)CC1 9836869 PWMYTMPCWNEGLI-UHFFFAOYSA-N 436.478 3.696 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](c3ccccc3)C3CC3)CC2)cc1C 11213019 MGLIUDXWRCMWFT-QHCPKHFHSA-N 426.582 3.972 0 40 IHAB COc1cccc(C(=O)OCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1 11479345 CKZCNDBXNCBLIG-KRWDZBQOSA-N 432.476 3.982 0 40 IHAB COc1ccc(-c2ccc(=O)n(C[C@H](C)NC(=O)C3(c4ccc(Cl)cc4)CC3)n2)cc1 12141880 LTBKTWCYIBQFIM-INIZCTEOSA-N 437.927 3.809 0 40 IHAB CCCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)Cc3cccc(Cl)c3)cc21 12180647 HTSUSSHQCAUVPE-UHFFFAOYSA-N 442.990 3.774 0 40 IHAB COCCn1c(SCC(=O)N2c3ccc(F)cc3CC[C@@H]2C)nc2ccccc2c1=O 12707322 HRFFNEFNTMXJSX-HNNXBMFYSA-N 441.528 3.642 0 40 IHAB COc1ccc(C(=O)C2CCN(C(=O)[C@@H]3CC(=O)N(c4cccc(C)c4C)C3)CC2)cc1 12739553 ZHNKOFQODCODQB-OAQYLSRUSA-N 434.536 3.786 0 40 IHAB Cc1cccc(NC(=O)CN2CCN(C(=O)NCc3cccc(C(F)(F)F)c3)CC2)c1C 12766492 INAZIBBFMXUING-UHFFFAOYSA-N 448.489 3.788 0 40 IHAB O=C1OCCN1CCSc1nc2ccc(Br)cc2c(=O)n1-c1ccccc1 12914795 IUKILMWBIZSODH-UHFFFAOYSA-N 446.326 3.693 0 40 IHAB O=C(COC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 13098596 YMUKYIVALCBFKX-PBWFPOADSA-N 434.464 3.965 0 40 IHAB NC(=O)CSc1ccccc1NC(=O)CN1CCC[C@H]1c1nc2ccccc2s1 13120224 BMMLBHLXIFZXID-INIZCTEOSA-N 426.567 3.649 0 40 IHAB COc1ccccc1-n1c(SCC(=O)NCCc2ccccc2)nnc1-c1ccncc1 13513123 YUTKWWXSPDKPTG-UHFFFAOYSA-N 445.548 3.789 0 40 IHAB Nc1c(N(CCC2=CCCCC2)C(=O)C[C@@H]2C=CCC2)c(=O)[nH]c(=O)n1Cc1ccccc1 14633431 VAYTZTZWUWPRJU-HXUWFJFHSA-N 448.567 3.747 0 40 IHAB CC(=O)Oc1ccc(/C=c2\sc3nc4c(Br)c(C)c(C)cc4n3c2=O)cc1 16284124 WKLMZBJGYFFAAV-SXGWCWSVSA-N 443.322 3.762 0 40 IHAB CSc1cccc(N2C[C@H](C(=O)N3CCN(c4ccccc4Cl)CC3)CC2=O)c1 17118954 BJECVKLIMSAUGT-MRXNPFEDSA-N 429.973 3.764 0 40 IHAB CCOc1ccc(N2CCn3c(SCC(=O)Nc4ccc(C(C)=O)cc4)nnc32)cc1 17307714 MAABOZIGVJKROK-UHFFFAOYSA-N 437.525 3.762 0 40 IHAB COc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@H]4CC[C@H](C)C[C@H]4C3=O)cc2)cc1 17986743 OZENKDBZZCUWAR-ONGXBYRLSA-N 435.476 3.661 0 40 IHAB COc1cc(C)ccc1OCC(=O)N1CCC[C@@H]([C@@H]2C[C@H](C(F)F)n3nc(C)cc3N2)C1 19134211 QBUVHFLYSIPQGM-FGTMMUONSA-N 448.514 3.817 0 40 IHAB Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@H]2CCCN(C(=O)c3ccccc3F)C2)n1 19290155 IIWVIOAOBKKROQ-KRWDZBQOSA-N 434.519 3.636 0 40 IHAB O=C(c1cccs1)N1CCCC[C@H]1c1nc(O)c2c(n1)CN(Cc1ccncc1)CC2 19342689 KLOPZUYQFQALPT-IBGZPJMESA-N 435.553 3.564 0 40 IHAB COc1ccc2cc(C(=O)N3CCCC[C@H]3c3nc(O)c4c(n3)CN(C(C)C)CC4)[nH]c2c1 19448363 ZJXVNPKFWGGEFS-QFIPXVFZSA-N 449.555 3.806 0 40 IHAB C[C@H](C(=O)N1CCC[C@@H](c2nn(C)cc2-c2ccnc(N3CCCC3)n2)C1)c1ccccc1 19459176 UPVBEOSPHWOFGX-PZJWPPBQSA-N 444.583 3.987 0 40 IHAB Cc1nc(COc2ccccc2C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)cs1 19485596 ZOYJCVVQXYHTSO-ZDUSSCGKSA-N 440.477 3.943 0 40 IHAB CCNC(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)[C@@H](C)n2ccnc2)C1 19528779 NNUAPUPGLBJBQZ-KOSHJBKYSA-N 436.581 3.770 0 40 IHAB CNC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)CCn2cccn2)C1 19591099 DMHMLQZYKRFACH-DEOSSOPVSA-N 436.581 3.599 0 40 IHAB CNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)Cc2ccccc2)C1 19591136 UHTFBFKKOSZNCC-HHHXNRCGSA-N 427.548 3.889 0 40 IHAB CCNC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(C(=O)c2snnc2C)CC1 19700182 IWUQQZFQTLSXIG-UHFFFAOYSA-N 449.580 3.510 0 40 IHAB Cc1c(C(=O)N2CC[C@@H](c3cc(C(=O)Nc4nccs4)c4ccccc4n3)C2)cnn1C 19761429 IUFQIZJZWOFCOM-OAHLLOKOSA-N 446.536 3.615 0 40 IHAB Cc1c(C(=O)N2CC[C@H](c3cc(C(=O)Nc4nccs4)c4ccccc4n3)C2)cnn1C 19761432 IUFQIZJZWOFCOM-HNNXBMFYSA-N 446.536 3.615 0 40 IHAB CC(C)CS(=O)(=O)c1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(F)cc1 20443494 LRTXRQGAYIREOU-UHFFFAOYSA-N 441.477 3.882 0 40 IHAB CCOc1ccccc1C(=O)Nc1cccc(OCc2cc(=O)n3c(ncn3C(C)C)n2)c1 21796936 KHCVYSLRVQIRPG-UHFFFAOYSA-N 447.495 3.702 0 40 IHAB O=S(=O)(c1ccccc1F)N1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 21869532 SHXNJFUKMIYMEW-UHFFFAOYSA-N 437.846 3.794 0 40 IHAB Cc1ccc(CN(C)C(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 22184041 UTMOIKKHRWHVHC-UHFFFAOYSA-N 426.513 3.988 0 40 IHAB CCOC(=O)C1CCN([C@@H](c2ccc(OCC)cc2)c2sc3nc(C)nn3c2O)CC1 22626256 VCBAANHWUWEIGG-SFHVURJKSA-N 444.557 3.568 0 40 IHAB CCOc1cc(/C=C/C(=O)O)c(Br)cc1OCC(=O)NCCc1ccccc1 22638125 XMDRGYOLKKELAA-CMDGGOBGSA-N 448.313 3.683 0 40 IHAB COc1ccc(-c2noc(-c3cccn(CC(=O)Nc4ccccc4C)c3=O)n2)cc1OC 23125863 XYQGUCXUHUWKBZ-UHFFFAOYSA-N 446.463 3.530 0 40 IHAB COc1ccc(Br)cc1S(=O)(=O)NC1(c2noc(C)n2)CCCCCC1 24689316 PJIGFOAKHNSVBN-UHFFFAOYSA-N 444.351 3.677 0 40 IHAB COC(=O)c1occc1COC(=O)C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O 24895533 GHSWFXHWBXFGBU-CYBMUJFWSA-N 429.372 3.631 0 40 IHAB CN1CCc2nc(NC(=O)c3nc(-c4cccs4)n(-c4ccc(F)cc4)n3)sc2C1 27989075 LUEDMDAURWMKER-UHFFFAOYSA-N 440.529 3.832 0 40 IHAB Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c(Br)c1 28223483 SZPISFYYAAKMFW-HNNXBMFYSA-N 437.359 3.797 0 40 IHAB CN(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)[C@@H]1CCc2ccccc21 29488119 YMAVGZSPXDAMKI-HSZRJFAPSA-N 441.597 3.809 0 40 IHAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 30852368 FEWIMBOIIFEKMA-QGZVFWFLSA-N 446.916 3.727 0 40 IHAB CCn1c(SCC(=O)NCc2ccc(C)cc2)nnc1-c1ccc(OC)c(OC)c1 32604142 MGTDCXRGXMDPEA-UHFFFAOYSA-N 426.542 3.699 0 40 IHAB COc1ccc2c(c1)cc(C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1nccs1)n2C 36584559 WTOYOMGUUQKWHG-GOSISDBHSA-N 434.521 3.623 0 40 IHAB CCCc1noc(-c2cc(S(=O)(=O)N(C)Cc3ccc(OC)cc3)ccc2OC)n1 46020227 PAOJHBAUVYZXBJ-UHFFFAOYSA-N 431.514 3.527 0 40 IHAB COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCN(c2cccc(C)c2C)CC1 57050777 AVDVSUJBTSNMQV-UHFFFAOYSA-N 434.540 3.640 0 40 IHAB CCOC(=O)C1=C(CN2CC=C(c3ccccc3)CC2)NC(=O)N[C@H]1c1cccc(F)c1 57415627 ILLDGSHIELSTRK-QHCPKHFHSA-N 435.499 3.786 0 40 IHAB O=C(C[S@@](=O)Cc1csc(Br)c1)Nc1ccc(N2CCCC2=O)cc1 64830412 PNAQCDXBMYWQHR-RUZDIDTESA-N 441.372 3.525 0 40 IHAB Cc1ccc(Sc2nccn3c(=O)n(CC(=O)Nc4cc(C)ccc4C)nc23)c(C)c1 65151009 GJEZYWIZNOYPJJ-UHFFFAOYSA-N 433.537 3.915 0 40 IHAB CC(=O)Nc1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2-c2ccccc2)cc1 67236892 XISPXHWBAFWRIG-UHFFFAOYSA-N 447.520 3.711 0 40 IHAB Cc1cc(-c2cc(=O)n(CC(=O)N[C@H](C)c3cccs3)nc2-c2cccs2)on1 72337297 VTLPYNGSTPTDDN-CYBMUJFWSA-N 426.523 3.874 0 40 IHAB CCCN1CCN(C(=O)c2cnn(C)c2C)[C@@H](Cc2ccc(-c3ccccc3)cc2)C1=O 72351408 WAHYNJFZMZXBOW-DEOSSOPVSA-N 430.552 3.701 0 40 IHAB CC(C)Oc1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cn1 78597216 ZJZXAAKVSIOPLG-UHFFFAOYSA-N 443.500 3.739 0 40 IHAB COc1ccc(-c2coc3c4c(cc(O)c3c2=O)OC(=O)C[C@H]4c2cnn(C)c2C)cc1 85877081 KWQYNBIKZXLACB-HNNXBMFYSA-N 432.432 3.657 0 40 IHAB biogenic CCCS(=O)(=O)N1CCC2(CC1)C[C@@H](CC(=O)Nc1cccnc1)c1ccccc1O2 96079947 WEYPSLGFYVCWKM-GOSISDBHSA-N 443.569 3.551 0 40 IHAB CC(C)S(=O)(=O)c1ccc(CC(=O)NCc2cc(C3CC3)n(C3CCCC3)n2)cc1 96104092 SAJPRUPJNFQDDI-UHFFFAOYSA-N 429.586 3.917 0 40 IHAB Cn1cnc(S(=O)(=O)N2CCCc3cc(Br)cc(Cl)c32)c1Cl 97001452 LKJJXIUBQUQRKO-UHFFFAOYSA-N 425.135 3.631 0 40 IHAB Cc1ccc(CN2C(=O)[C@H]3[C@@H](c4ccccc4)[C@H]4C=C[C@]3(O4)[C@@H]2C(=O)NC2CCCC2)cc1 100435388 XCVNSRUWIFGCQF-KAUKRTNFSA-N 442.559 3.872 0 40 IHAB COc1cccc(N([C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)S(C)(=O)=O)c1 222984508 VAWWLLAZLZOSAJ-IRXDYDNUSA-N 430.570 3.606 0 40 IHAB C[C@H](CNC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1)c1ccccc1 223502533 DNQGLEZIBDTBSU-GOSISDBHSA-N 426.513 3.941 0 40 IHAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccccc1Br 223515881 GTIGJHJUWDLIST-KRWDZBQOSA-N 441.347 3.641 0 40 IHAB Cc1cc(C)cc(N(CCCC(=O)Nc2cccc(N3CCCC3=O)c2)S(C)(=O)=O)c1 223696704 ZQATVZINXWATQO-UHFFFAOYSA-N 443.569 3.615 0 40 IHAB Cc1cccc(OCCNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)c1C 223911129 ZDWHCHKFLCQONA-UHFFFAOYSA-N 445.368 3.571 0 40 IHAB CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(OC)cc1 223921426 IWFWHASBMIWMME-AWEZNQCLSA-N 439.339 3.934 0 40 IHAB Cc1cc(C)cc(N(CCCC(=O)NCCOc2ccc(C)cc2C)S(C)(=O)=O)c1 224656681 KMHURLOLAGVPQM-UHFFFAOYSA-N 432.586 3.662 0 40 IHAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc2c(c1)OCO2 224809477 ISSDUSYETNBCJX-MRXNPFEDSA-N 430.932 3.945 0 40 IHAB CCCOc1ccccc1CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 225511618 GRILFNGKWGIPGA-NRFANRHFSA-N 444.597 3.625 0 40 IHAB COc1ccc(CSCC(=O)N(Cc2ccc(OC)cc2)[C@H](C)C(=O)NC(C)C)cc1 225667621 BCENNAXONYDJPC-GOSISDBHSA-N 444.597 3.879 0 40 IHAB COc1ccc(-c2noc(CNC(=S)Nc3ccc(N4CCCC4=O)c(C)c3)n2)cc1 225824541 KVRJUIWJWXNOEH-UHFFFAOYSA-N 437.525 3.667 0 40 IHAB COc1ccc(CN2CCc3nc([C@H]4CCCN4C(=O)[C@@H]4CC=CCC4)nc(O)c3C2)cc1 247867448 BNQWYXJCFUPZJG-AUSIDOKSSA-N 448.567 3.769 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)N[C@H]2C[C@H]3CC[C@H]2C3)c2cccc(Cl)c2)cc1 250578948 MCOFPGBHRIPQSV-QYWGDWMGSA-N 448.972 3.849 0 40 IHAB COc1ccc(Br)c(C(=O)NC[C@H](c2ccoc2)N2CCSCC2)c1 253401428 MWYZFEYHPQQISP-QGZVFWFLSA-N 425.348 3.571 0 40 IHAB CCN1CCN(C(=O)c2cnc(C)nc2C)[C@@H](Cc2ccc(-c3cccs3)cc2)C1=O 257238327 HKLLDOYDMGSXEI-NRFANRHFSA-N 434.565 3.738 0 40 IHAB CCN(CC)C(=O)c1cncnc1[C@H]1CC[C@H](CNC(=O)Cc2cccc(OC)c2)CC1 257246714 IVLHMEIZLOXUHO-KESTWPANSA-N 438.572 3.600 0 40 IHAB CCc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2cc(Cl)ccc2OC)S(C)(=O)=O)cc1 260845533 SRZAAZHADZRGBL-CABCVRRESA-N 438.977 3.943 0 40 IHAB CS(=O)(=O)N(CC(=O)Nc1ccc(F)c(Cl)c1)Cc1ccc(Br)cc1 408617424 BAJXFAUINVYJSB-UHFFFAOYSA-N 449.729 3.642 0 40 IHAB C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3cccs3)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]21 408642160 DQLJYJPKHXOSNZ-ACWOFJMJSA-N 442.924 3.839 0 40 IHAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCCc2ccccc2)C1 408700385 FEZBZKIXWRLNGW-NRFANRHFSA-N 444.597 3.578 0 40 IHAB O=C(NCC[C@H](c1ccc(F)cc1)c1ccco1)c1c(-n2cnnn2)sc2c1CCC2 583652554 NZVVXFRFHDPDKZ-MRXNPFEDSA-N 437.500 3.897 0 40 IHAB O=C(O)CCc1ccc2c(c1)CN(Cc1ccccc1F)CC(=O)NCCCCCO2 643571946 SWRLAMLSAZPXOG-UHFFFAOYSA-N 428.504 3.524 0 40 IHAB Cc1nc(O)nc(O)c1NC(=O)c1cc(-c2cccc(C(F)(F)F)c2)nc2onc(C)c12 1545221164 KQMJOHUXYRCVKD-UHFFFAOYSA-N 445.357 3.979 0 40 IHAB CC1CCC(c2nc(-c3cn(C)c4cc(N5CCOCC5)c(F)cc4c3=O)no2)CC1 1775967065 DAAQUACPJZKKEZ-UHFFFAOYSA-N 426.492 3.858 0 40 IHAB CC[C@H](C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(=O)N1CCCC1 846229 STKOGXRFGPSVMY-JTSKRJEESA-N 437.540 3.714 0 40 IHAB CCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3ccccc3C(F)(F)F)nnc12 1331701 CXYQQZIUPOHTHA-UHFFFAOYSA-N 447.442 3.814 0 40 IHAB COc1ccc(-n2c(SCC(=O)Nc3ccccc3)nc3c(c2=O)SCC3)cc1 2719861 XFQSUAZDSWJSMR-UHFFFAOYSA-N 425.535 3.620 0 40 IHAB COCCCNC(=O)CSc1nc(Nc2cc(OC)cc(OC)c2)c2ccccc2n1 2949085 YSAWKNWMQYYRBN-UHFFFAOYSA-N 442.541 3.635 0 40 IHAB CCCNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCCC3 3425915 XXAXFTQRWIGTEV-UHFFFAOYSA-N 443.594 3.953 0 40 IHAB COc1cc(C(=O)Nc2ccccc2N2CCOCC2)ccc1OCc1c(C)noc1C 3560355 OXJBDKLCDAGQTI-UHFFFAOYSA-N 437.496 3.968 0 40 IHAB Cc1ccc2cc(CN(C[C@H]3CCCO3)C(=S)NCCc3ccccc3)c(=O)[nH]c2c1 6409625 JYLSQZZOVDNPJU-JOCHJYFZSA-N 435.593 3.935 0 40 IHAB CC(=O)Nc1ccc(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)cc1 8728163 OZRVPABVEYOAMR-UHFFFAOYSA-N 449.960 3.654 0 40 IHAB Cc1cc(=O)n2c(n1)NC(NCCc1c[nH]c3ccccc13)=N[C@H]2c1ccc(Cl)cc1 8990546 LWIPMBCNDPMXLH-OAQYLSRUSA-N 432.915 3.847 0 40 IHAB Cc1ccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(Cc3cc(C)ccc3C)c(=O)n2C)cc1 9110253 WYLZIUWJWWCGDV-GOSISDBHSA-N 443.551 3.658 0 40 IHAB Cc1cc(=O)oc2cc(OCC(=O)N(C)CC(=O)Nc3ccccc3Cl)c(Cl)cc12 9124841 AAXLOLKBEVJNNR-UHFFFAOYSA-N 449.290 3.884 0 40 IHAB Cc1cc(C)c2c(=O)cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)oc2c1 9194602 YDJOIBOSSOFFEN-UHFFFAOYSA-N 440.521 3.837 0 40 IHAB COc1ccc([C@H]2CC(c3ccc(NS(C)(=O)=O)cc3)=NN2C(=O)c2ccco2)cc1 9392136 LXFOPSABEXNBLJ-HXUWFJFHSA-N 439.493 3.651 0 40 IHAB Cc1ccc([C@@]2(c3ccccc3)NC(=O)N(CC(=O)NCC3CCCCC3)C2=O)cc1C 9414606 ZDXOLUNNYOYJDQ-AREMUKBSSA-N 433.552 3.795 0 40 IHAB CCCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2C)cc1 9585925 RTGWAZIDZBZGDQ-UHFFFAOYSA-N 428.489 3.919 0 40 IHAB O=C(Nc1ccccc1N1CCCC1=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 9646648 DKLVGZGHTJJBDP-UHFFFAOYSA-N 435.505 3.867 0 40 IHAB CN(CC(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1)S(=O)(=O)c1cccs1 9672220 WZIZTOSQDKZSIC-UHFFFAOYSA-N 426.523 3.551 0 40 IHAB CCOC(=O)c1c(NC(=O)CCS(=O)(=O)Cc2ccccc2)sc2c1CCCC2 9971452 JVJSVONCMLORRZ-UHFFFAOYSA-N 435.567 3.747 0 40 IHAB O=C(NCCc1ccccc1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 9971959 KYUDUGURMVZCAG-IBGZPJMESA-N 445.494 3.790 0 40 IHAB COc1ccc([C@@H]2N(C(=O)c3ccc(C)cc3)CCN2S(=O)(=O)c2ccccc2)cc1 10078616 QXIXUTXFVNVULJ-HSZRJFAPSA-N 436.533 3.849 0 40 IHAB O=C(NCCCC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1cc2ccccc2o1 12321439 GHMIXABYOQCLER-UHFFFAOYSA-N 425.916 3.945 0 40 IHAB COc1cc(C(=O)Nc2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)cc(Cl)c1OC 12756308 HUDYHIZQZRBZLY-VXGBXAGGSA-N 425.938 3.675 0 40 IHAB COc1ccc([C@@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1 12780071 QVTKVXDCYDOJII-NRFANRHFSA-N 446.544 3.599 0 40 IHAB C[C@@H](Sc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)c1nc2ccccc2c(=O)[nH]1 12796245 URHZRHGXXYUEQJ-HUUCEWRRSA-N 434.521 3.665 0 40 IHAB COc1ccc(NC(=O)[C@H](C)N2CCC(C(=O)NCc3ccccc3)CC2)cc1Cl 12816679 RGWMLMPYGGXSNE-INIZCTEOSA-N 429.948 3.704 0 40 IHAB O=C(/C=C/c1cc(Cl)c2c(c1)OCO2)Nc1cccc(S(=O)(=O)N2CCCC2)c1 12818222 BRFSUIDVTHOHPC-VOTSOKGWSA-N 434.901 3.505 0 40 IHAB C[C@@H](NC(=O)CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1)c1ccccc1Cl 12820721 VPDJIJJQOOWXRV-MRXNPFEDSA-N 442.943 3.883 0 40 IHAB CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)c1csnn1)c1ccc(Cl)cc1 12870589 USMIUAUPVPMGIE-QGZVFWFLSA-N 429.933 3.889 0 40 IHAB COc1ccccc1[C@H](C)NC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 12922883 LQWZIJXMCTVYGN-UMADGWCESA-N 428.554 3.585 0 40 IHAB COc1ccc(-c2csc(NC(=O)c3nc4nccc(C)n4n3)n2)cc1Br 12926965 HOSGKICUHHAREA-UHFFFAOYSA-N 445.302 3.580 0 40 IHAB O=C(Cc1cc(Cl)c2c(c1)OCCO2)OCc1cc(=O)oc2cc3c(cc12)CCC3 12961908 YYBNALXIZMKCKT-UHFFFAOYSA-N 426.852 3.992 0 40 IHAB CC1=NS(=O)(=O)NC(C)=C1CCC(=O)NCCC(c1ccccc1)c1ccccc1 12975999 UJXPIOSCFWZGAZ-UHFFFAOYSA-N 425.554 3.688 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN[C@H](C)c1cccc2ccccc12 12986764 GYYGSIPXACFLGY-QGZVFWFLSA-N 425.554 3.688 0 40 IHAB CC(=O)N(c1cccc(C)c1)c1nc(COC(=O)CCn2c(C)csc2=O)cs1 13126231 DMMRXAOZOSPIKS-UHFFFAOYSA-N 431.539 3.801 0 40 IHAB CC(C)C(=O)Nc1ccc(C(=O)NCCNC(=O)C(c2ccccc2)c2ccccc2)cc1 13854537 ISMOWOKQYITTKU-UHFFFAOYSA-N 443.547 3.959 0 40 IHAB CCn1c(CC(=O)Nc2ccccc2F)nnc1SCC(=O)Nc1ccc(F)cc1F 13955949 LAFQGLREPUMGQK-UHFFFAOYSA-N 449.458 3.627 0 40 IHAB COc1ccc([C@H](CNC(=O)c2[nH]c(C)c(C(=O)OC(C)C)c2C)N2CCCC2)cc1 14251825 YKSYVAZMNNIRAH-FQEVSTJZSA-N 427.545 3.772 0 40 IHAB O=C(NCc1ccccc1)[C@H](c1ccccc1F)N(C[C@@H]1CCCO1)C(=O)c1ccccn1 15935961 OCUNOQAXCJBEFB-RDPSFJRHSA-N 447.510 3.900 0 40 IHAB CCn1c(SCc2nnnn2-c2ccccc2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 17654806 MPBVACDOSROCEG-CYBMUJFWSA-N 438.582 3.871 0 40 IHAB C[C@@H](Sc1nnc(-c2ccc[nH]2)o1)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 18454531 TXGZPOXNJVCESO-SECBINFHSA-N 437.403 3.549 0 40 IHAB CNc1cc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(CN(C)Cc2cccc(F)c2)n1 19700914 JJZJNOJIIZTEAD-KRWDZBQOSA-N 437.494 3.949 0 40 IHAB CC(C)Oc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN3C(=O)c2cccnc2)cc1 19819358 AUJMNGNVMKBGJM-UHFFFAOYSA-N 437.521 3.873 0 40 IHAB CC(C)(C)C(=O)N[C@]1(C(F)(F)F)N=C(c2ccccc2)N(CCc2ccccc2)C1=O 19939440 PILDEHQGJXXUBZ-JOCHJYFZSA-N 431.458 3.939 0 40 IHAB O=C(NC(=S)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1ccc2c(c1)OCCO2 20152536 WYVWRWJFDPFFHX-UHFFFAOYSA-N 444.896 3.990 0 40 IHAB CCc1nn2c(C)c(C(=O)Nc3cccc(OC)c3)nnc2c1-c1ccc(OC)c(OC)c1 20797621 VUTATWFJYHZUOQ-UHFFFAOYSA-N 447.495 3.940 0 40 IHAB CCOc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc4ccccc34)CC2=O)cc1 21094297 XROJPHYDGNCVKJ-SFHVURJKSA-N 432.476 3.773 0 40 IHAB COc1ccc(CC[C@]2(C)NC(=O)N(Cc3cc(=O)oc4cc5c(cc34)CCC5)C2=O)cc1 21719927 WAXDLJYCORKNJE-SANMLTNESA-N 446.503 3.734 0 40 IHAB O=C(OCCOc1c(Cl)cccc1Cl)c1cccc(N2CCCS2(=O)=O)c1 21833332 DZHHQJNWVUTAIZ-UHFFFAOYSA-N 430.309 3.769 0 40 IHAB CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)Nc1ccc(C)c(Cl)c1 22252701 QAWHNIRADJWBPW-UHFFFAOYSA-N 426.922 3.704 0 40 IHAB CCc1nc2sc([C@H](c3ccc(OC)cc3)N3CCN(c4ccccc4)CC3)c(O)n2n1 22854573 FOHYHJIMLFJMAE-NRFANRHFSA-N 449.580 3.979 0 40 IHAB CCn1c(SCC(=O)NCc2ccc(F)cc2)nnc1-c1c(C)nc2sccn12 23141486 FANSCMADASOZMD-UHFFFAOYSA-N 430.534 3.530 0 40 IHAB CC(C)(C)C1CCC2(CC1)NC(=O)N(CN1CCN(C/C=C/c3ccccc3)CC1)C2=O 23257672 CCSQSIHBHPKLLX-JXMROGBWSA-N 438.616 3.802 0 40 IHAB COc1ccccc1NC(=O)[C@@H](C)OC(=O)CSCC(=O)Nc1ccc(C)cc1C 24170893 NLDIKZQQXHZLJP-MRXNPFEDSA-N 430.526 3.554 0 40 IHAB CCCc1nnc(SC[C@@H](O)COc2ccc(-c3ccccc3)cc2)n1CC(=O)O 25067068 QGZRIGIUWIGMPC-SFHVURJKSA-N 427.526 3.514 0 40 IHAB Cc1nn(Cn2ccc(C(=O)Nc3cccc4cccnc34)n2)c(C)c1Br 27973707 JUGBGZVCXLRKQS-UHFFFAOYSA-N 425.290 3.765 0 40 IHAB COc1ccccc1CNC(=O)c1nc(-c2ccc(COc3c(C)occc3=O)cc2)no1 32102200 OHBZQOIMHOAZEU-UHFFFAOYSA-N 447.447 3.516 0 40 IHAB O=C(Nc1ccc(N2CCc3sccc3C2)nc1)[C@@H]1CCCN1C(=O)c1ccccc1 32760749 JTZYXHBMBJXZPF-FQEVSTJZSA-N 432.549 3.949 0 40 IHAB O=C(NCc1ccc(Cn2cccn2)cc1)c1ccccc1SCC(=O)N1CCCC1 32837352 OBBWGJMTMGUWSI-UHFFFAOYSA-N 434.565 3.576 0 40 IHAB CCOc1ccc(NC(=O)[C@H]2Cc3ccccc3S2)cc1S(=O)(=O)N1CCCC1 32879854 XALSWIXBPKRCGM-LJQANCHMSA-N 432.567 3.525 0 40 IHAB O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1c2c(nn1-c1ccccc1)CCC2 38510786 MNPOOBQQGNWYRA-UHFFFAOYSA-N 429.929 3.817 0 40 IHAB COC(=O)[C@@H]1C[C@H](Oc2ccc3cc(Br)ccc3c2Br)CN1 42783077 APIVWWWMXRJHOR-AAEUAGOBSA-N 429.108 3.647 0 40 IHAB Cc1ccc(NC(=O)Cn2nc(N3CCSCC3)c3ccccc3c2=O)cc1Cl 49007250 WVMDIWUWZSEMGN-UHFFFAOYSA-N 428.945 3.550 0 40 IHAB Cc1cc(C)cc(-n2cc(C(=O)N3CCC(NC(=O)c4ccc(C)c(C)c4)CC3)nn2)c1 49406421 QPHYBMVFLGWWBV-UHFFFAOYSA-N 431.540 3.536 0 40 IHAB COc1cccc(-c2csc3ncc(C(=O)Nc4ccc(OC)cc4OC)c(=O)n23)c1 64787948 FFJPOPPBFHZOFU-UHFFFAOYSA-N 437.477 3.701 0 40 IHAB CCn1c(SCc2csc(CC(=O)NC)n2)nc2sc3c(c2c1=O)CC[C@H](C)C3 72307084 OXDRCPMLBTXEEJ-NSHDSACASA-N 448.639 3.640 0 40 IHAB CN(Cc1cccc(F)c1)Cc1nc([C@@H]2CC(=O)N(Cc3ccccc3)C2)cc(N(C)C)n1 72352060 HVRMLFJQYNCLMH-OAQYLSRUSA-N 447.558 3.830 0 40 IHAB O=S(=O)(NCCc1nc2c(c(C(F)(F)F)n1)CCCC2)c1ccc(F)c(Cl)c1 77101236 LZOPMGJGPHTEOI-UHFFFAOYSA-N 437.846 3.688 0 40 IHAB CCCCOc1cccc(CNC(=O)Cc2c(C)nn(-c3cncc(Cl)n3)c2C)c1 95432559 FFYBWQBFSUGSNN-UHFFFAOYSA-N 427.936 3.970 0 40 IHAB O=C(O)c1ccc2[nH]c3c(c2c1)CN(C(=O)c1nn(-c2ccccc2F)c2c1CCC2)CC3 95949264 VABBMZMSCORMHT-UHFFFAOYSA-N 444.466 3.878 0 40 IHAB O=S(=O)(Nc1ccccc1Cc1nc(-c2cccnc2)no1)c1c(F)cccc1F 96119626 RTUSUHPOTITBAW-UHFFFAOYSA-N 428.420 3.801 0 40 IHAB O=C1[C@@H]2Sc3[nH]c(=O)sc3[C@H](c3ccc(O)cc3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 101944006 SSAHOWUXRDKWJH-IJEWVQPXSA-N 444.921 3.591 0 40 IHAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 102127716 RWFJAVPDHDAJDC-OYRHEFFESA-N 431.488 3.549 0 40 IHAB O=C(O)c1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccccc4F)[C@@H]3C2=O)cc1 102763063 MDYBRCHPMKMXDC-HBMCJLEFSA-N 432.407 3.575 0 40 IHAB C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1)c1ccc(F)cc1 113971884 WQGGUJIVLRNUAB-MAUKXSAKSA-N 438.952 3.898 0 40 IHAB COCCCNC(=O)c1ccccc1NC(=O)CCCN1C(=O)c2cccc3cccc1c23 219463859 VIYBAKOGWWLKAK-UHFFFAOYSA-N 445.519 3.985 0 40 IHAB Cc1ccc(OCCNC(=O)[C@@H](C)N(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1 220256208 ZLVDGAYZECYJOL-CQSZACIVSA-N 445.368 3.652 0 40 IHAB C[C@@H](C(=O)NC[C@@H]1CCCO1)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1 222925113 YPNJRBPJPWKCNJ-KKSFZXQISA-N 432.923 3.734 0 40 IHAB CC[C@H](C(=O)NCCOc1ccccc1C(C)C)N(c1cccc(OC)c1)S(C)(=O)=O 223821584 LZLZHAAIILQNKR-OAQYLSRUSA-N 448.585 3.558 0 40 IHAB COC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224611848 DKKRZKMIVQTLSF-UHFFFAOYSA-N 432.325 3.987 0 40 IHAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(C)c2)o1 225444358 CKIXWMSKUBNAAJ-UXHICEINSA-N 442.566 3.840 0 40 IHAB S=C(NCc1cccnc1)Nc1nc(N2CCCCCC2)cc(N2CCCCC2)n1 225939874 JONXCFZYQQMYPJ-UHFFFAOYSA-N 425.606 3.729 0 40 IHAB COCCn1cnc2cc(C(=O)N3CCC[C@H]3c3nc(Cc4ccc(F)cc4)n[nH]3)ccc21 257219835 DIJGZNBIRKLYAF-NRFANRHFSA-N 448.502 3.508 0 40 IHAB Cc1ncc(C(=O)NC2CCCCC2)c([C@H]2CCCCN2S(=O)(=O)c2ccccc2)n1 257233687 GQFMFYQXEMLZMX-OAQYLSRUSA-N 442.585 3.763 0 40 IHAB CN1C(=O)C2(CCN(C(=O)c3ccccc3CN3CCCC3)CC2)C[C@@H]1Cc1ccccc1 257246749 IVRDCIWBAHOGCA-DEOSSOPVSA-N 445.607 3.978 0 40 IHAB Cc1ncsc1C(=O)N1CCO[C@@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 257254657 KEDAXRDVLNJYJE-GOSISDBHSA-N 432.933 3.663 0 40 IHAB Cc1ccc(Cl)c(OC[C@]2(O)CCCN(CC(=O)NCc3ccc(F)cc3)CC2)c1 257328422 XFOQFUPLKGXDMN-QHCPKHFHSA-N 434.939 3.700 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1C(=O)N1CCOCC1 408601757 HDALCXSRHUOTNR-UHFFFAOYSA-N 429.325 3.575 0 40 IHAB Cc1ccccc1OCC(=O)N1N=C(c2ccccc2)C[C@@]1(O)C(F)(F)C(F)(F)F 408948287 COWYFUJTJOQHJV-GOSISDBHSA-N 428.357 3.897 0 40 IHAB CCn1c(CNC(=O)c2ccccc2C)nnc1SCC(=O)Nc1cccc(F)c1C 409057420 PSRWKSFQGRYXJH-UHFFFAOYSA-N 441.532 3.715 0 40 IHAB CC(C)C[C@H]1COc2ccccc2C(=O)N(C)CCCCN1C(=O)c1ccc2nn[nH]c2c1 643584389 PDAKWULHTORXOX-IBGZPJMESA-N 449.555 3.760 0 40 IHAB CCOC(=O)c1cnn2ccc(NC(=O)/C=C/c3ccc(C(=O)OC(C)(C)C)o3)cc12 1585259279 DKFLFOBXNMETRH-VQHVLOKHSA-N 425.441 3.711 0 40 IHAB Cc1cc2n(n1)C1(CCN(C(=O)c3cccc(Cl)c3)CC1)CC(=O)N2Cc1ccncc1 1772596603 YFFAMUXXNNBWMB-UHFFFAOYSA-N 449.942 3.808 0 40 IHAB CCC[C@H](NC(=O)COc1ccc2c(-c3ccc(OC)cc3)cc(=O)oc2c1C)C(=O)O 2113861 AZBXUQJVCALLEO-IBGZPJMESA-N 439.464 3.525 0 40 IHAB biogenic COc1ccc(CNS(=O)(=O)c2ccc(F)c(C(=O)Nc3cccc(OC)c3)c2)cc1 3031793 VMGKLXOOYKECKK-UHFFFAOYSA-N 444.484 3.574 0 40 IHAB COc1cc(C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc(OC)c1OC 3279612 PITYAZDQNCAYMO-UHFFFAOYSA-N 448.781 3.575 0 40 IHAB CN(Cc1ccccc1)C(=O)c1ccccc1C(=O)OCC(=O)c1ccc2c(c1)OCCO2 3324264 GSSJJLNUSBQIKM-UHFFFAOYSA-N 445.471 3.770 0 40 IHAB COc1ccc(-c2noc(CN(C(=O)Cc3ccc(OC)c(OC)c3)C(C)C)n2)cc1 4512618 QFRUEDGRWVXJQV-UHFFFAOYSA-N 425.485 3.742 0 40 IHAB COc1cc(Br)c(/C=C2\N=C(c3ccc(NC(C)=O)cc3)OC2=O)cc1OC 8386727 CBNZLLVULSOFHY-PXNMLYILSA-N 445.269 3.769 0 40 IHAB COc1c(Cl)cc(C(=O)N(Cc2ccccc2F)[C@@H]2CCS(=O)(=O)C2)cc1Cl 8612158 IFLQVZHWEFMCCH-CQSZACIVSA-N 446.327 3.971 0 40 IHAB CCOC(=O)c1ccc2[nH]c(CSc3nnc(-c4cccc(F)c4)n3C)cc(=O)c2c1 8617301 TXGVMXSMDADTDV-UHFFFAOYSA-N 438.484 3.932 0 40 IHAB Cc1ccc(S(=O)(=O)N(CCC(=O)Nc2ccc3c(c2)OCO3)c2ccccc2)cc1 8772322 ZOSRLCWSISIVHR-UHFFFAOYSA-N 438.505 3.948 0 40 IHAB COc1ccc(-c2cc(=O)oc3cc(O[C@H](C)C(=O)NCc4cccnc4)ccc23)cc1 8792019 SZVUOLQBVMJPHP-MRXNPFEDSA-N 430.460 3.947 0 40 IHAB biogenic NC(=O)c1ccc(NC(=O)c2cn(Cc3ccccc3)nc2OCc2ccccc2)cc1 9100743 PRBJDAWXPUZAQO-UHFFFAOYSA-N 426.476 3.862 0 40 IHAB COc1ccc(C(=O)Nc2nnc([C@H]3CC(=O)N(c4ccccc4C)C3)s2)c(OC)c1 9197997 IVWLGBYBFVKFKP-AWEZNQCLSA-N 438.509 3.637 0 40 IHAB CCOc1cccc([C@H]2c3c(-c4cc(Cl)c(C)cc4O)n[nH]c3C(=O)N2CCO)c1 9293065 BUSJYWJSGIGCAU-NRFANRHFSA-N 427.888 3.680 0 40 IHAB Cc1n[nH]c(=O)c2c(NC(=O)CSc3nc4c(n3-c3ccccc3)CCCC4)oc(C)c12 9338104 ARLJRBVJTWPCOV-UHFFFAOYSA-N 449.536 3.928 0 40 IHAB COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)Nc1ccc(Br)cc1 9491535 ZMRXTBWDBBKNSZ-UHFFFAOYSA-N 440.725 3.620 0 40 IHAB Cc1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1S(=O)(=O)N(C)C 9754255 PSISIVBUHFIUCD-UHFFFAOYSA-N 431.739 3.914 0 40 IHAB COC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(C)c3)C(=O)N2CC(C)C)cc1 9892371 OGXGIOFSRUQHNQ-FQEVSTJZSA-N 437.496 3.604 0 40 IHAB C[C@H](NC(=O)CSc1ccc(S(=O)(=O)N2CCCC2)cn1)c1cc2ccccc2o1 9945433 YOXYUPIELSRWNQ-HNNXBMFYSA-N 445.566 3.582 0 40 IHAB CC(C)Cn1c(SCC(=O)NC(=O)NC2CCCC2)nc2cc(Cl)ccc2c1=O 9988959 MAYJUCPXPZHXRO-UHFFFAOYSA-N 436.965 3.566 0 40 IHAB COc1ccc(N([C@H](C)C(=O)Nc2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1Cl 10365176 ZAJFRMQXSMKOLU-CQSZACIVSA-N 440.949 3.929 0 40 IHAB CCOC(=O)c1cccc(NC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c1C 10443573 FRZUZVPONBAYOO-UHFFFAOYSA-N 446.569 3.874 0 40 IHAB Cn1nc(C(F)(F)F)cc1[C@@H]1CCCCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 12159895 HYUNELFCIYIWGE-AWEZNQCLSA-N 445.463 3.516 0 40 IHAB C[C@H](Sc1nnc(Cc2ccccc2)n1-c1ccccc1)c1nc(N)nc(N(C)C)n1 12522546 PWWBJXKJEBRBJQ-HNNXBMFYSA-N 432.557 3.545 0 40 IHAB COC(=O)c1cccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccccc2OC)c1 12544867 PEZMSIMHRVRUJJ-UHFFFAOYSA-N 440.477 3.535 0 40 IHAB CN(C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cccs1 12557135 CGZQEGMGDUGULT-IBGZPJMESA-N 429.567 3.582 0 40 IHAB CC1(C)C[C@H]([C@H](CCNC(=O)CN2C(=O)c3ccccc3C2=O)Cc2ccccc2)CCO1 12662044 FFFLGCIQNOKFSM-NHCUHLMSSA-N 448.563 3.853 0 40 IHAB biogenic COc1ccc(-c2nc(C(=O)N(C)CC(=O)Nc3ccc(C)cc3)cs2)cc1OC 12766887 MZBVJTBXZXXBSG-UHFFFAOYSA-N 425.510 3.846 0 40 IHAB C[C@@H](CCc1ccccc1)NC(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)c(Cl)c2)C1=O 12767878 XOMQLDQNUHEJBY-RCDICMHDSA-N 448.350 3.898 0 40 IHAB CCc1ccccc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 12814551 ACKZOMBIZNBBLW-KRWDZBQOSA-N 438.553 3.791 0 40 IHAB Cc1ccc(C)c(-n2nc(C)cc2NC(=O)CN(C)CC(=O)Nc2ccccc2Cl)c1 12946316 XZWRWABORYTGEX-UHFFFAOYSA-N 439.947 3.960 0 40 IHAB O=C(c1cccs1)N1CCN(Cc2nc3sc(-c4ccccc4)cc3c(=O)[nH]2)CC1 13117528 MKJXAJGSPSFBNX-UHFFFAOYSA-N 436.562 3.671 0 40 IHAB CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccoc3C)n2C[C@@H]2CCCO2)cc1 13512199 QUSLOWGGQRACGZ-SFHVURJKSA-N 440.525 3.959 0 40 IHAB COc1cc(OC)c([C@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C3=C2C(=O)OC3)cc1OC 13567582 FMBPTUGISKHUMH-CYBMUJFWSA-N 447.846 3.836 0 40 IHAB CN1C[C@H](c2ccc(F)cc2)[C@@H](C(=O)c2ccc3c(c2)OCO3)[C@]12C(=O)Nc1ccccc12 13627466 QCQZDWILBXABDO-KXVHNFKESA-N 444.462 3.930 0 40 IHAB O=C(NC(=S)NC1C2CC3CC(C2)CC1C3)c1ccccc1I 13941024 XAEAXQRVXATDCP-UHFFFAOYSA-N 440.350 3.720 0 40 IHAB CCn1c(CC(=O)Nc2cccc(C)c2)nnc1SCC(=O)Nc1ccc(F)c(F)c1 13956465 DXUZGAPCVKWNEV-UHFFFAOYSA-N 445.495 3.797 0 40 IHAB C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(Cc2csc(-c3cccs3)n2)C1=O 14184878 MELJBYPLHMQECL-FQEVSTJZSA-N 427.507 3.610 0 40 IHAB O=C(C1CCN(c2ccc(C(F)(F)F)cn2)CC1)N1CCN(Cc2ccccc2)CC1 14188964 ANNIROUYXXABDC-UHFFFAOYSA-N 432.490 3.661 0 40 IHAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 14390280 KPUNNAWXVRHMQK-UHFFFAOYSA-N 441.487 3.819 0 40 IHAB O=C(Nc1cccc(C(F)(F)F)c1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 14429970 IIRCAKZNKPKETP-UHFFFAOYSA-N 448.850 3.632 0 40 IHAB COc1ccc([C@@H]2CCCCCN2CC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1 15105673 DMVIRVTZGMJBCL-IBGZPJMESA-N 449.473 3.785 0 40 IHAB COc1ccc(/C=C/C(=O)N(C)CC(=O)Nc2ccccc2Br)cc1OC 15478236 OMLGXESBGBWHOV-PKNBQFBNSA-N 433.302 3.577 0 40 IHAB CCOc1ccc(S(=O)(=O)NCCc2csc3nc(-c4ccccc4C)nn23)cc1 15783897 FJXAEODSFWVSRW-UHFFFAOYSA-N 442.566 3.686 0 40 IHAB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CN1CCC[C@H](C(=O)OCC)C1 16050366 XDWHYUQBYAYMJH-KRWDZBQOSA-N 444.553 3.805 0 40 IHAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3COc4ccccc4C3)cc2)C1 16963266 SQIFQHSNJXFXQG-LMMKCTJWSA-N 428.554 3.543 0 40 IHAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NC[C@H]3CN(CC(C)C)CCO3)cc12 17803568 CXVSECGVVROOOL-IBGZPJMESA-N 444.576 3.680 0 40 IHAB COc1ccc2c(c1)O[C@@]1(CCCN(C(=O)C3(c4ccccc4)CC3)C1)CN(C(C)=O)C2 19019637 PMZLDZMQLZTEKZ-RUZDIDTESA-N 434.536 3.529 0 40 IHAB CC[C@H]1Oc2ccc(C(=O)c3ccco3)cc2N(CC(=O)N2CCc3ccccc32)C1=O 19500845 MTPYKIBJVFCTQA-HXUWFJFHSA-N 430.460 3.604 0 40 IHAB COc1ccc(CN2CC[C@H](c3ncc(C(=O)NCc4cccc(OC)c4)c(C)n3)C2)cc1 19758241 GPIMXZJDMRITEF-NRFANRHFSA-N 446.551 3.722 0 40 IHAB CS(=O)(=O)N(CC(=O)NCCCc1ccccc1Cl)c1cccc(C(F)(F)F)c1 22334479 BXFHKFJKJMNHFC-UHFFFAOYSA-N 448.894 3.874 0 40 IHAB O=C(CN1CCN(Cc2ccc3c(c2)CCO3)CC1)N[C@H](c1ccccc1)c1cccs1 22789506 QAWJPNPNKJTBQU-AREMUKBSSA-N 447.604 3.706 0 40 IHAB Cc1nnc(COC(=O)c2ccccc2SCC(=O)NC23CC4CC(CC(C4)C2)C3)o1 23470027 UHIXTXUJOHZVRU-UHFFFAOYSA-N 441.553 3.912 0 40 IHAB COC(=O)c1ccccc1NC(=O)CSc1nnc(COc2ccccc2Cl)n1C 24173752 DKQYXSJPJLFCJS-UHFFFAOYSA-N 446.916 3.565 0 40 IHAB O=C1[C@H](c2ccccc2)N(Cc2ccccc2)C(=O)N1CN1CCN(c2ccccc2)CC1 24657716 JXBOISNKLOXKML-VWLOTQADSA-N 440.547 3.972 0 40 IHAB Cc1nc(NC(=O)CCNC(=O)NC2CCCCC2)sc1-c1nccn1C(F)F 25996714 SLEJPOGQIWGKNP-UHFFFAOYSA-N 426.493 3.671 0 40 IHAB CN(C)C(=O)c1cccc(NC(=O)c2ccc(Cl)c(I)c2)c1 31717696 GNDCJTRDCZAHTF-UHFFFAOYSA-N 428.657 3.899 0 40 IHAB COc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2F)cc1S(=O)(=O)NC(C)(C)C 32983409 CRGXJLCJUPIELT-GFCCVEGCSA-N 426.485 3.541 0 40 IHAB Cc1ccc(-c2cc(C(=O)N3CCc4ccccc4C3)nn2[C@H]2CCS(=O)(=O)C2)cc1C 33325714 MZFYFXGIUHUOPF-QFIPXVFZSA-N 449.576 3.725 0 40 IHAB Cc1ccc(C)c(N(C(=O)c2csnn2)[C@@H](C(=O)NC2CCCC2)c2ccccn2)c1 35311707 JAFKPOSZEBNRLC-OAQYLSRUSA-N 435.553 3.997 0 40 IHAB CC(C)N(C(=O)C[S@](=O)c1nnc(Cc2ccc(Cl)cc2)n1C)c1ccccc1 35683094 CLQQMCPQKZJAMO-GDLZYMKVSA-N 430.961 3.609 0 40 IHAB O=C(NCc1cccc(OCC(F)(F)F)c1)C1CCN(c2ccc(Cl)nn2)CC1 40111891 WZIWDNYBGIJMBY-UHFFFAOYSA-N 428.842 3.604 0 40 IHAB COc1cc(OC)cc(-c2nnc3sc([C@@H](C)n4cc(Br)c(C)n4)nn23)c1 40266920 QQDDYJJLIBEGMT-SNVBAGLBSA-N 449.334 3.747 0 40 IHAB Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccc(Cl)cc4)[nH]c(=O)c32)c(C)c1 40399264 MLLIMIKBQXZBLG-HNNXBMFYSA-N 437.887 3.848 0 40 IHAB COc1ccc(C)cc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(OC)c(OC)c1 40484478 CKYRMWUCMLKUAR-OAQYLSRUSA-N 435.484 3.540 0 40 IHAB COc1ccccc1NC(=O)N1CCC(CNS(=O)(=O)c2cc(C)ccc2C)CC1 43962014 OTXHDFKGYYCRIQ-UHFFFAOYSA-N 431.558 3.534 0 40 IHAB CC[C@H](NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc(S(C)(=O)=O)cc1 44856963 HIIKNYLMPWCYKL-UGKGYDQZSA-N 432.561 3.709 0 40 IHAB CCOc1ccc(CCC(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)cc1OCC 44900269 ULZIXSQUSVVCGL-UHFFFAOYSA-N 429.469 3.629 0 40 IHAB COc1ccc(C(=O)N2CCC(C(=O)OCc3nnsc3Cl)CC2)c2ccccc12 49590134 ONHYDJKZESECCI-UHFFFAOYSA-N 445.928 3.949 0 40 IHAB C[C@H](Nc1ccc(N2CCCC2=O)c(Cl)c1)C(=O)N1CCN(Cc2ccccc2)CC1 57838657 ZGNJPJBTJGFUAH-SFHVURJKSA-N 440.975 3.612 0 40 IHAB COC(=O)[C@H](C)Sc1ccccc1C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 58099355 SOYSQFJFARUSNR-KSSFIOAISA-N 428.510 3.710 0 40 IHAB O=C(c1cccnc1Oc1ccc(F)cc1Br)N1CCC2(CC1)OCCO2 58363148 JERWSZZYLRXCHE-UHFFFAOYSA-N 437.265 3.755 0 40 IHAB COc1ccc(CNC(=O)c2cnn(-c3ccc(-c4nc(C(C)C)no4)cn3)c2C)cc1 71768680 SGVSKGLQLQUOOM-UHFFFAOYSA-N 432.484 3.688 0 40 IHAB COc1ccc(-c2nn3c(nc2=O)-c2ccc(F)cc2N2C(=O)c4ccccc4[C@@H]23)cc1 71922029 HQMZZAXJTDHRIQ-QHCPKHFHSA-N 426.407 3.641 0 40 IHAB C/C=C/c1ccc(OC[C@H](O)CN(CCC(=O)OC)Cc2cccc(F)c2F)c(OC)c1 72305041 WMQMCRPTMLJPRC-FHHGHWCOSA-N 449.494 3.812 0 40 IHAB CC(=O)N1c2ccc([C@@H](O)CN3CCC[C@](O)(c4ccc(F)cc4)CC3)cc2C[C@H]1C 72343040 JAKBBXJVHXQKSW-HCOMASKESA-N 426.532 3.530 0 40 IHAB C[C@H](NC(=O)CN1CCC(c2nnc(C(F)(F)F)o2)CC1)C12CC3CC(CC(C3)C1)C2 77198068 XCXQGHVOVMNPQV-JHMRYYBSSA-N 440.510 3.989 0 40 IHAB CCCc1cc(=O)oc2cc(O[C@H]3CCN(c4sccc4C(=O)OC)C3=O)ccc12 78950656 CAPBUTDBLFOLMW-KRWDZBQOSA-N 427.478 3.778 0 40 IHAB C[C@@H](NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)[C@H]1C[C@@H]2CC[C@@H]1C2 102366132 BEIZABVBAPSJGG-BZLDKRAPSA-N 434.583 3.590 0 40 IHAB Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)C2)n1 220812953 CIAXPCJCSSUDOQ-DLBZAZTESA-N 428.533 3.739 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)N(C)c2ccc(F)cc2)CC1 222595019 HZWOAACBBHWLGW-UHFFFAOYSA-N 440.924 3.551 0 40 IHAB CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(C(=O)O)cc2)o1 223284942 KXFYHSXYZKWNCL-RTWAWAEBSA-N 436.537 3.574 0 40 IHAB Cc1ccc(OCCNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1C 223461877 NAPWBAYDKZSFPI-UHFFFAOYSA-N 438.549 3.694 0 40 IHAB CCOc1ccc(N([C@@H](C)C(=O)NCCOc2ccccc2C(C)C)S(C)(=O)=O)cc1 223758909 IKRMANNEGWHJJF-SFHVURJKSA-N 448.585 3.558 0 40 IHAB CSc1ncc(-c2nnsc2C(=O)OCc2cnc(-c3cccc(F)c3)nc2)cn1 223857355 MSEJZOODSUJREE-UHFFFAOYSA-N 440.485 3.670 0 40 IHAB COC(=O)c1c(NS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)sc2c1CCCC2 223869942 OBRSEGPATLHCJO-UHFFFAOYSA-N 448.566 3.513 0 40 IHAB Cc1ccc(C)c(OCCNC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)c1 224032574 YDOHRFCAQSHSQA-UHFFFAOYSA-N 430.570 3.677 0 40 IHAB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCCOc2ccccc2Cl)c1 224111689 HKMNZYSGTXEHSD-UHFFFAOYSA-N 444.940 3.974 0 40 IHAB COc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)N(C)Cc3ccc(F)cc3)c2)cc1 224504047 WPGFOQXFLQBYMX-UHFFFAOYSA-N 442.512 3.932 0 40 IHAB COc1ccc(CCCC(=O)N2CCO[C@H](c3ccc(Nc4ncccn4)cn3)C2)c(C)c1 257253040 JXJDJRXOCPKRJS-QHCPKHFHSA-N 447.539 3.855 0 40 IHAB Cc1nc2cc([C@@H]3CCN(Cc4ccncc4)C3)nn2c(C)c1CCC(=O)NC(C)(C)C 257290171 QBWIQBMLJFXCPC-HXUWFJFHSA-N 434.588 3.578 0 40 IHAB Cc1cccc(CN2C[C@@H](c3cn(C(C)C)cn3)[C@]3(CCN(Cc4ccncc4)C3=O)C2)n1 306128256 GVLOYIYSYUYNKW-OZXSUGGESA-N 444.583 3.581 0 40 IHAB COc1ccc(C)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)cc(C)cc2C)C1 408558272 IXZSPAJUQQJSGW-LJQANCHMSA-N 430.570 3.968 0 40 IHAB CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)N[C@H](C)CCc2ccccc2)cc1 408597900 WHBKEYSLPVTLOS-MOPGFXCFSA-N 432.586 3.526 0 40 IHAB COCCCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1 408637104 XSFSBGQPFVIUSJ-UHFFFAOYSA-N 430.448 3.581 0 40 IHAB COc1ccc(CNC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)cc1 409178118 IRKHBFSMDMLORS-UHFFFAOYSA-N 438.549 3.900 0 40 IHAB CCOc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)cc1 409198441 AROUMXBGKPZRDL-YBFXNURJSA-N 440.477 3.532 0 40 IHAB CCOc1ccc(Br)cc1/C=C1\SC(=O)N(CC(=O)NCC(C)C)C1=O 409212958 NODZILHNKDPSRR-NVNXTCNLSA-N 441.347 3.656 0 40 IHAB CCn1c(CNC(=O)c2ccccc2C)nnc1SCC(=O)Nc1ccccc1Cl 409333606 USZMLQKLSROSHS-UHFFFAOYSA-N 443.960 3.921 0 40 IHAB Cc1cc(C)cc(N([C@@H](C)C(=O)Nc2ccccc2Br)S(C)(=O)=O)c1 409383871 MUFXGKKOADJFRK-AWEZNQCLSA-N 425.348 3.859 0 40 IHAB C[C@@H](Nc1ccc2nnc(-c3ccccc3F)n2n1)c1ccc(OCC(=O)NC2CC2)cc1 511736450 VRADPBHGGWLDRY-OAHLLOKOSA-N 446.486 3.761 0 40 IHAB C[C@@]1(O)CCN(Cc2cccnc2)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccc(F)cc1 514289668 NFPHBJZBOFKDQH-QNWVGRARSA-N 425.529 3.779 0 40 IHAB biogenic,in-vitro CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)N(C)C3CC(OCC)C3)c2)cc1 561645657 DUUIEFXOGPYTRP-UHFFFAOYSA-N 432.542 3.526 0 40 IHAB Cc1cccc(C)c1OCC(=O)N1CCC2(CC1)CO[C@H]([C@@]1(C)CC[C@@H](C(C)(C)O)O1)C2 585263542 APVWFGINKLGFON-STWLZBDKSA-N 445.600 3.789 0 40 IHAB CC(=O)N1CCC(CC(=O)N[C@H](C)CCc2ccccc2)(N2Cc3ccccc3C2=O)CC1 1548348749 SDEYMADZCKKFPP-HXUWFJFHSA-N 447.579 3.551 0 40 IHAB O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cccc(CS(=O)(=O)c2ccccc2)c1 1615058324 NDRNDGXRPCZCPJ-HSZRJFAPSA-N 436.533 3.574 0 40 IHAB Cc1ccc(OC[C@@]2(O)CCCN(CC(=O)Nc3ccc(OC(F)F)cc3)C2)cc1C 2037916250 ZLWIAYIGVKBEQJ-HSZRJFAPSA-N 434.483 3.749 0 40 IHAB Cc1nc([C@H]2CC[C@@H](O)[C@H](NC3CCC(F)(F)CC3)C2)n(-c2nc3ccccc3[nH]2)n1 2332241557 GXDVWFKLLCROSP-GDIGMMSISA-N 430.503 3.617 0 40 IHAB COC(=O)CSc1nnc2n(-c3ccc(C)cc3)c(=O)c3c4c(sc3n12)CCCC4 2272348 XSQOWAOBDIWZAY-UHFFFAOYSA-N 440.550 3.547 0 40 IHAB CC(C)CCNC(=O)c1c(N)n(-c2ccc3c(c2)OCCO3)c2nc3ccccc3nc12 2334888 AXFPCORDYUTVST-UHFFFAOYSA-N 431.496 3.703 0 40 IHAB COc1cc(-c2nnc(SCc3cccc(C(F)(F)F)c3)n2N)cc(OC)c1OC 2447907 PQWKMKKBHCIOQU-UHFFFAOYSA-N 440.447 3.996 0 40 IHAB CN(C)c1ccc([C@@H](CNC(=O)CNC(=O)c2ccco2)c2c[nH]c3ccccc23)cc1 3406891 CMLKBZCPZTXQKF-HXUWFJFHSA-N 430.508 3.505 0 40 IHAB O=C(COC(=O)c1sc2ccccc2c1Cl)NC(=O)Nc1ccc2c(c1)OCCO2 3448042 RCLDVGNLGGXFNP-UHFFFAOYSA-N 446.868 3.831 0 40 IHAB C[C@H](OC(=O)c1ccc(C(=O)c2ccccc2)cc1)C(=O)NCc1ccc2c(c1)OCO2 3489101 UOCFSMYQQQPBHX-INIZCTEOSA-N 431.444 3.508 0 40 IHAB COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)cc1 3611677 AJPJZZVJMNHLMW-UHFFFAOYSA-N 444.597 3.646 0 40 IHAB CC1=C(C(=O)Nc2cccnc2)[C@@H](c2ccc(OCc3ccccc3)cc2)n2nnnc2N1 6144414 PEIUKBLOXHEPFU-JOCHJYFZSA-N 439.479 3.575 0 40 IHAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Nc2ccc(N3CCN(CC)CC3)cc2)c1C 7328449 LVRQEGWGZIUJAG-SFHVURJKSA-N 426.561 3.633 0 40 IHAB CCOc1ccccc1NC(=O)c1nc(S(=O)(=O)Cc2ccccc2F)ncc1Cl 8916808 ZCCMVUNZUGZJAF-UHFFFAOYSA-N 449.891 3.894 0 40 IHAB Cc1cccc(C(=O)N[C@@H]2C(=O)Nc3c(c(C)nn3C)[C@H]2c2ccc(C(F)(F)F)cc2)c1 9252567 HSCOEDSAAOSPFT-MOPGFXCFSA-N 442.441 3.938 0 40 IHAB CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2c(C(N)=O)oc3ccccc23)cc1 9404854 TWXHLOSCOJHAHK-UHFFFAOYSA-N 443.525 3.595 0 40 IHAB Cc1cc(C)n2nc(C(=O)Nc3nc(-c4cccc(Br)c4)cs3)nc2n1 9507714 MYQPHFDMUQWMSM-UHFFFAOYSA-N 429.303 3.879 0 40 IHAB CCOC(=O)N1CCN(C(=O)CCc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)CC1 9531960 RAURURUTHOEVMH-UHFFFAOYSA-N 440.496 3.698 0 40 IHAB O=C(C[C@@]1(O)C(=O)N(CN2CCCCC2)c2ccccc21)c1ccc(Br)cc1 9584791 UTHQFWWPACKHBR-QFIPXVFZSA-N 443.341 3.700 0 40 IHAB CNC(=O)[C@@H]1CN(C(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)c2ccccc2O1 9726132 DJTVKOCLJZTPSJ-DEOSSOPVSA-N 438.487 3.693 0 40 IHAB COc1cc([C@@H]2CC(=O)c3c(C)nn(-c4nc5ccccc5[nH]4)c3C2)cc(OC)c1OC 9938862 ZAKFFLXCRUDRHL-AWEZNQCLSA-N 432.480 3.996 0 40 IHAB Cc1ccccc1Cn1cnc2c(cnn2CCNC(=O)c2cccc3ccccc23)c1=O 12072136 FTJIKIQKAGWXLD-UHFFFAOYSA-N 437.503 3.533 0 40 IHAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)COc4cccnc4)C3)cc2N1 12089243 MUJLCNYNXVDVIT-IIDMSEBBSA-N 437.466 3.761 0 40 IHAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)c1 12630041 DITZMBSNOYMNDP-FQEVSTJZSA-N 426.542 3.571 0 40 IHAB C[C@H](Cc1cccs1)N(Cc1ccccc1)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 12880572 ZZHKLMIBJOKNQT-QGZVFWFLSA-N 449.619 3.974 0 40 IHAB O=C(C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)N1CCC[C@@H]2CCCC[C@H]21 12900540 CLPRRILOWUFJJW-GOEBONIOSA-N 436.482 3.541 0 40 IHAB Cc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)N4c5ccccc5C[C@H]4C)CC3)CC2=O)cc1 13844552 AAPLBBOJDUSCMX-DENIHFKCSA-N 445.563 3.564 0 40 IHAB Cc1nc(-c2cccc(NC(=O)CNC(=O)c3ccc(N4CCCC4=O)cc3)c2)cs1 14021154 GIVYWPSSEAKYCA-UHFFFAOYSA-N 434.521 3.614 0 40 IHAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)c1 14227146 LHAHEHOXIFBHAO-OAQYLSRUSA-N 442.585 3.868 0 40 IHAB O=C(Nc1ccc(C(F)(F)F)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 15580571 QSIBUEKTJBQGSY-CYBMUJFWSA-N 430.423 3.884 0 40 IHAB CC(C)(C)NC(=O)Nc1nnc(SCC(=O)Nc2ccc(Br)cc2)s1 15882712 FRGFXCAUWQHPMD-UHFFFAOYSA-N 444.380 3.951 0 40 IHAB COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2cc(=O)[nH]c3ccccc23)c1 16050924 ZEGUJSHYGSOASQ-UHFFFAOYSA-N 449.488 3.590 0 40 IHAB CCOc1ccc(-c2nc(COC(=O)c3cccc(-n4cnnn4)c3)cs2)cc1OC 16684987 LIZFBZXSPKLJRW-UHFFFAOYSA-N 437.481 3.550 0 40 IHAB Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)O[C@H](C)C(=O)Nc4cc(C)on4)cc3C2=O)c1 16828937 NVJQWNOZBPGNDS-OAHLLOKOSA-N 447.447 3.584 0 40 IHAB Cc1c(NC(=S)NC(=O)/C=C/c2ccccc2)cccc1-c1nn2c(C)nnc2s1 17099003 BCNKOZSIHYHZPY-VAWYXSNFSA-N 434.550 3.996 0 40 IHAB CN(CC(=O)NCCSCc1ccccc1F)S(=O)(=O)c1ccc2ccccc2c1 18701325 YBOUZYYMGQBAFX-UHFFFAOYSA-N 446.569 3.649 0 40 IHAB C[C@H](C(=O)N1CCC[C@H](c2nc(-c3cccs3)cc(C(F)(F)F)n2)C1)n1cncn1 19078439 KWBSYVDEWSIWSU-OLZOCXBDSA-N 436.463 3.783 0 40 IHAB Cc1ccsc1CN1CCc2c(nc([C@H]3CCCN3C(=O)[C@H]3CC=CCC3)[nH]c2=O)C1 19238705 KFOLRBSZZKGQOJ-FXAWDEMLSA-N 438.597 3.718 0 40 IHAB CCc1noc(C)c1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)c1cc(N(C)C)nc(C)n1 19521266 OEOVXJHCJNWSDN-FQEVSTJZSA-N 432.528 3.905 0 40 IHAB CN(C)c1ncc(-c2ccc(F)cc2)c([C@H]2CN(C(=O)CCCc3ccccn3)CCO2)n1 19692985 NKWCPNDGXADKMV-JOCHJYFZSA-N 449.530 3.667 0 40 IHAB Cc1nn(C)c2nc(C3CCN(C(=O)C4(c5ccccc5F)CCOCC4)CC3)ccc12 19744638 INYABFDJOAMTKQ-UHFFFAOYSA-N 436.531 3.870 0 40 IHAB COc1ccc(C(=O)Nc2ccc(F)c(F)c2F)cc1S(=O)(=O)N1CCCCC1 20024980 JMVAUJNPUBQLHG-UHFFFAOYSA-N 428.432 3.539 0 40 IHAB CN(C)[C@H](CNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1)c1cn(C)c2ccccc12 21698575 LMDZYEUTBIOQCY-LJQANCHMSA-N 432.446 3.555 0 40 IHAB COc1ccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCCC4)c(OC)c1 21882467 DKSWAQOBVCPUPS-UHFFFAOYSA-N 427.526 3.842 0 40 IHAB C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 22458132 YQQWGJDORMYHBN-HKUYNNGSSA-N 434.989 3.878 0 40 IHAB C[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 22531850 MLSNPXGOODZVOL-INIZCTEOSA-N 448.504 3.837 0 40 IHAB C[C@@H](OC(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1)C(=O)c1c[nH]c2ccccc12 23046588 YOLLTYQERXCBSC-OAHLLOKOSA-N 446.500 3.522 0 40 IHAB C[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)N1CCC[C@@H]1c1cccs1 26483659 YXBFPFFDICREKE-XJKSGUPXSA-N 442.006 3.816 0 40 IHAB COc1ccc(OCCN2CCN(C(=O)c3csc(-c4ccsc4)n3)CC2)cc1 30018995 BQNHKYAVCOLKIK-UHFFFAOYSA-N 429.567 3.717 0 40 IHAB CC(=O)Nc1ccc2nc(NC(=S)NC(=O)c3ccc(Br)cc3)oc2c1 32127840 VANBZJCOBVRTRU-UHFFFAOYSA-N 433.287 3.676 0 40 IHAB COC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)c3ccccc3)o2)sc2c1CCC2 32593629 MURJUXRWKMMUFU-UHFFFAOYSA-N 431.491 3.702 0 40 IHAB O=C(CCSc1ccc(S(=O)(=O)N2CCCCCC2)cn1)N1CCc2ccccc21 32871191 ZXVMCNRZMPQKTE-UHFFFAOYSA-N 445.610 3.718 0 40 IHAB O=C(COc1ccc(Br)cc1)NCCCNc1ccc(C(F)(F)F)cn1 32911967 GTOYUGDXPBMCMA-UHFFFAOYSA-N 432.240 3.860 0 40 IHAB CC1(C)NC(=O)N(CCCSc2nnc(-c3ccccc3)n2-c2ccc(F)cc2)C1=O 32915340 LLRAAKWMIFFPFT-UHFFFAOYSA-N 439.516 3.886 0 40 IHAB COc1ccc(-c2nc(Cn3nnc(C(=O)Nc4ccc(C)c(C)c4)c3N)c(C)o2)cc1 33291821 YOJCAALQRKMHMX-UHFFFAOYSA-N 432.484 3.750 0 40 IHAB CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N12 34690565 UTHLGSOXEIDBAC-UAFMIMERSA-N 426.394 3.684 0 40 IHAB COc1cc2ncn(CCCC(=O)N3CCC[C@H]3c3ccsc3)c(=O)c2cc1OC 40107748 DZHHHHNXMZWHOS-SFHVURJKSA-N 427.526 3.619 0 40 IHAB Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)N[C@H]3CCc4ccccc43)c2=O)cc1C 57491323 SKWHZDWVTFTRIQ-FQEVSTJZSA-N 445.544 3.634 0 40 IHAB Cc1sc2nc(CSc3ccc(Cl)cc3)nc(N3CCN[C@@H](C(N)=O)C3)c2c1C 57607775 PDRIIYYOEKQFKS-OAHLLOKOSA-N 448.017 3.517 0 40 IHAB COC(=O)[C@@H](CNC(=O)c1sc(Cc2ccccc2)nc1C)Cc1ccc(F)cc1 58203112 WWQKXCCLDGWDIH-GOSISDBHSA-N 426.513 3.943 0 40 IHAB C[C@@H](NC(=O)C1(c2ccc(Cl)cc2)CCCC1)c1ccc(-n2cc(C(N)=O)nn2)cc1 71820898 GFPIHWROWPBTOW-OAHLLOKOSA-N 437.931 3.709 0 40 IHAB Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)n1 72376931 HXVJEBWWRPJECS-IBGZPJMESA-N 430.480 3.920 0 40 IHAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1cc(N2CCN(c3ccccc3)CC2)ncn1 77100895 RSTABPOXQXMODV-KRWDZBQOSA-N 437.931 3.863 0 40 IHAB COCc1cccc(NC(=O)[C@@H](Cc2c[nH]c3ccc(Br)cc23)NC(C)=O)c1 78878088 JTUMDGYLTUCDMP-HXUWFJFHSA-N 444.329 3.763 0 40 IHAB CC(=O)c1ccc(N2CCN(CC(=O)NC(c3ccccc3)c3ccccc3)CC2)cc1 89292243 SVLNGQAEBBKEJW-UHFFFAOYSA-N 427.548 3.917 0 40 IHAB COc1ccccc1CC(=O)N(C)[C@H]1CCCC[C@H]1N(C)C(=O)Cc1ccccc1OC 89334938 QMCZCNXGXWOQOK-SZPZYZBQSA-N 438.568 3.717 0 40 IHAB COc1ccc(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)cc1OC 89920263 HADDFNRCJZPOFR-HOTGVXAUSA-N 432.542 3.623 0 40 IHAB CCOC(=O)c1c(NC(=O)CCN[C@@H](C(N)=O)[C@@H](C)CC)sc(C)c1-c1ccccc1 89942173 SXQNIIMZCNPLJO-VBKZILBWSA-N 445.585 3.718 0 40 IHAB O=C([C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1)N1CCC(c2noc3cc(F)ccc23)CC1 96345459 YTDYLXHKJDLBHK-HNNXBMFYSA-N 447.470 3.602 0 40 IHAB COc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(F)cc4)[C@H]3C2=O)c(OC)c1 101135363 UBZIBLXCIWQIKU-VJBWXMMDSA-N 448.450 3.894 0 40 IHAB Nn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 109223251 WYEPBFOJQYDVEF-UHFFFAOYSA-N 441.866 3.986 0 40 IHAB CCOC(=O)c1cccc(NC(=O)[C@@H](CC)N(c2ccc(C)c(C)c2)S(C)(=O)=O)c1C 219122217 WLIBCXCCQWWKHE-OAQYLSRUSA-N 446.569 3.972 0 40 IHAB COc1ccc(OC)c(N([C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)S(C)(=O)=O)c1 220208814 OQWMMEIWTOGAOI-LLVKDONJSA-N 447.340 3.804 0 40 IHAB CC[C@H](C(=O)NCCSCc1ccc(C)cc1)N(c1cccc(C)c1)S(C)(=O)=O 220500560 DPGGYHUIGUVFCH-OAQYLSRUSA-N 434.627 3.898 0 40 IHAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(C)c(N2CCCCS2(=O)=O)c1 222567997 LLMPYDOWATVVBI-QGZVFWFLSA-N 443.569 3.706 0 40 IHAB Cc1c(Cl)cccc1N(CCCC(=O)NCCSCc1ccco1)S(C)(=O)=O 222665466 JAVGWTVPFYUYKU-UHFFFAOYSA-N 445.006 3.837 0 40 IHAB CCc1ccccc1N(CC(=O)NCCOc1ccccc1)S(=O)(=O)c1ccccc1 223472861 MATHJOPQGKXFPG-UHFFFAOYSA-N 438.549 3.640 0 40 IHAB Cc1cccc(OCCNC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c1 223747636 JNZBEIQGZMYSDO-UHFFFAOYSA-N 438.549 3.770 0 40 IHAB CC(C)c1ccccc1OCCNC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 223758583 SINNDFYLCWCKLY-UHFFFAOYSA-N 440.565 3.924 0 40 IHAB O=C(C1CC1)N1CCc2cc(S(=O)(=O)Nc3ccc(Br)cc3F)ccc21 224884483 CIQXZJGUWIJYQR-UHFFFAOYSA-N 439.306 3.688 0 40 IHAB CCCSc1nnc(NC(=O)CCCN(c2cc(C)ccc2C)S(C)(=O)=O)s1 225567935 QPIDQJCPHOHLNH-UHFFFAOYSA-N 442.632 3.842 0 40 IHAB Cn1c(=O)sc2cc(S(=O)(=O)Nc3ccc(Br)c(Cl)c3)ccc21 225675943 QBCUBQOHXJXCAN-UHFFFAOYSA-N 433.736 3.817 0 40 IHAB CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2[C@H](C)CCC[C@H]2C)cc1 245227122 BAEJJFKZRPSGHJ-KZNAEPCWSA-N 428.620 3.591 0 40 IHAB COc1cccc2c1OC(C)(C)[C@@H]1C[C@H]3[C@@H](CCN3C(=O)CC(C)(C)CC(=O)O)O[C@@H]21 257247325 IYLXPHMKPSMXIB-WOYCLPQFSA-N 431.529 3.804 0 40 IHAB O=C(NCCCN1CCOCC1)C1(Cc2cccc(-c3cccc(F)c3)c2)CCOCC1 257314744 UYGOPBXJBAMIIV-UHFFFAOYSA-N 440.559 3.671 0 40 IHAB CC(C)C(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](CCNC(=O)c4cccc(F)c4)OCC[C@@]31C2 257326924 WZDINRCKIXOFDY-MBMZIVIVSA-N 430.564 3.928 0 40 IHAB c1ccc2c(c1)OC1(CCN(Cc3nccs3)CC1)c1cnn(CCN3CCCC3)c1-2 306131521 KHNPJPAYQLBHBX-UHFFFAOYSA-N 435.597 3.986 0 40 IHAB O=C1CCc2cc(S(=O)(=O)NCc3nc(C4CCCCC4)cs3)cc3c2N1CC3 390830502 LLVRLJJGVUJCTG-UHFFFAOYSA-N 431.583 3.505 0 40 IHAB O=C(CCc1ccc2c(c1)OCO2)N1N=C(c2ccc(Cl)cc2)C[C@@]1(O)C(F)(F)F 408564184 VWRYFOKOGFMCJK-LJQANCHMSA-N 440.805 3.889 0 40 IHAB Cc1ccc(C)c(N2C[C@H](C(=O)OCC(=O)Nc3ccc(Br)cc3)CC2=O)c1 408650006 AEHNXCWAOACGGL-OAHLLOKOSA-N 445.313 3.601 0 40 IHAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(F)c2)C1 408700548 HSOSGRYJLNXEPB-KRWDZBQOSA-N 434.533 3.997 0 40 IHAB Cc1ccccc1C(=O)NCc1nn(CC(=O)Nc2ccccc2C(C)C)c(=S)n1C 409157862 WOQHDKZXOZOILV-UHFFFAOYSA-N 437.569 3.952 0 40 IHAB COc1cc(C)c(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1C(C)C 409200530 HYLRFAKTCHSHKO-YBFXNURJSA-N 425.460 3.798 0 40 IHAB COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c(OC)c1C 409242632 XICAHHBPZZSDDJ-RQZCQDPDSA-N 430.457 3.826 0 40 IHAB CCCOc1c(Br)cc(C(=O)N2CCNC(=O)[C@@H]2c2ccccc2)cc1OC 500160726 DYNYBXLDHZNTRD-SFHVURJKSA-N 447.329 3.560 0 40 IHAB C[C@H]1C(=O)Nc2cc(C(=O)N3CCC4(CCN(Cc5ccccc5)C4)CC3)ccc2N1C 536507569 DBTMCRTVSVENAR-IBGZPJMESA-N 432.568 3.592 0 40 IHAB Cc1cnc(Nc2cccc(C3CCN(C(=O)[C@H]4CC=CC[C@H]4C(=O)O)CC3)n2)s1 585263425 IOGMSLSNNUPWPV-DLBZAZTESA-N 426.542 3.963 0 40 IHAB CC(=O)N1CCCN(CC(C)C)CCN(C(=O)c2cnc(C3CC3)nc2)Cc2ccccc21 2037916174 SQZZZXPYGZAJKZ-UHFFFAOYSA-N 449.599 3.711 0 40 IHAB CCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1 628742 VXDOVAJEJNMOKP-UHFFFAOYSA-N 446.550 3.995 0 40 IHAB COc1cc2cc(C)c3nnc(SCC(=O)Nc4nc(C)cs4)n3c2cc1OC 877371 AOUSILMCRXNROM-UHFFFAOYSA-N 429.527 3.704 0 40 IHAB Cc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)Cc3nnnn3C3CCCC3)cc2c1 925673 HLTOQDKVMSITRN-UHFFFAOYSA-N 429.528 3.536 0 40 IHAB N=c1n(CCN2CCCCC2)c2ccccc2n1C[C@@H](O)c1cccc(Br)c1 1157903 BGNXMDRDUPEAQZ-OAQYLSRUSA-N 443.389 3.904 0 40 IHAB Cn1c(CNc2nc(-c3ccccc3)cs2)nnc1SCC(=O)NC1CCCC1 1340102 ATIKZFRLOCFDQU-UHFFFAOYSA-N 428.587 3.702 0 40 IHAB COc1ccc(C2=NO[C@H](C(=O)c3ccccc3)[C@@]23C(=O)Nc2ccccc23)cc1OC 2114948 PCGRSFBRAKJUFB-NOZRDPDXSA-N 428.444 3.580 0 40 IHAB biogenic CC[C@]1(C)Cc2c(sc3nc(SCC(=O)NCCc4ccccc4)nc(N)c23)CO1 2235634 PJXGDUTZYNMTDP-JOCHJYFZSA-N 442.610 3.966 0 40 IHAB COc1cc(-c2nnc(CCCN3C(=O)c4ccccc4C3=O)o2)ccc1OC(F)F 2804399 KSMNDBXOLZXFPY-UHFFFAOYSA-N 429.379 3.575 0 40 IHAB CCOc1ccc(-c2cnc(NCc3cc(OC)c(O)c(OC)c3)n2CCOC)cc1 4679208 AVCTXMVJXCLPFJ-UHFFFAOYSA-N 427.501 3.930 0 40 IHAB CCN(CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C)Cc1ccccc1 7445319 HRKZTGIDPXTCBL-UHFFFAOYSA-N 429.586 3.630 0 40 IHAB COc1cccc(-n2nc(C)c(CCC(=O)Nc3cccc(C(=O)NC4CC4)c3)c2C)c1 8735933 GUZBWGGETDHNEO-UHFFFAOYSA-N 432.524 3.961 0 40 IHAB COc1ccc(C(=O)N[C@H](C(=O)OCC(=O)c2ccc(Cl)cc2)C(C)C)cc1OC 8993703 CJHSZVNXWJOPER-FQEVSTJZSA-N 433.888 3.538 0 40 IHAB COc1ccc(-c2noc(CNC(=O)COc3ccc(Br)cc3C)n2)cc1 9031573 XAVZGBYZWDJRET-UHFFFAOYSA-N 432.274 3.511 0 40 IHAB CC(C)c1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3)nc2N)cc1 9152112 FESBXQPFNZGRJF-UHFFFAOYSA-N 442.566 3.746 0 40 IHAB CCCc1nnc2n1N[C@H](c1ccc(OC)cc1)[C@@H](C(=O)Nc1cccc(OC)c1)S2 9239112 GYVDBKCTCGOIHX-UXHICEINSA-N 439.541 3.646 0 40 IHAB CCOC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)Nc2ncc(Cl)cc2Cl)c1C 9283361 YTVIUTCZQKMIFJ-SNVBAGLBSA-N 428.272 3.694 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCN=C2SCc2ccccc2C)cc1 9381045 UYBVQHVPTOQUIG-UHFFFAOYSA-N 445.610 3.771 0 40 IHAB COc1ccccc1N1C(=O)N[C@](NC(=O)c2ccc(C(C)(C)C)cc2)(C(F)(F)F)C1=O 9419484 CAVLMCDBAQRPJT-NRFANRHFSA-N 449.429 3.738 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)Cc2coc3cc(OC)ccc23)c1 9492846 JMPQXMVUOPFCKU-UHFFFAOYSA-N 446.525 3.662 0 40 IHAB O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccccc1)C1CCCC1 9513638 CXRSIIATQJEWRP-UHFFFAOYSA-N 430.526 3.629 0 40 IHAB O=C(Cn1cc(S(=O)(=O)Cc2ccccc2Cl)c2ccccc21)NC[C@@H]1CCCO1 9568870 AHVZRTOQVTZULT-KRWDZBQOSA-N 446.956 3.564 0 40 IHAB CCCC(=O)Nc1ccc(-c2csc(NC(=O)Cn3cnc4ccccc4c3=O)n2)cc1 9590563 OOXPSOBEGSAUSN-UHFFFAOYSA-N 447.520 3.897 0 40 IHAB O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 9658216 LWYYDXRHHJMMMZ-UHFFFAOYSA-N 440.506 3.529 0 40 IHAB COc1ccccc1CN(Cc1cccs1)C(=O)CN1C(=O)NC2(CCCCC2)C1=O 9672111 KZABMHBIMPBKLO-UHFFFAOYSA-N 441.553 3.540 0 40 IHAB Cc1c(C(=O)NCc2ccc(Cl)cc2)sc2nc(CN3CCCCC3)[nH]c(=O)c12 9684837 RORNUCPLGDGXCS-UHFFFAOYSA-N 430.961 3.862 0 40 IHAB C[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 9703899 MERBRZMQKGLCSP-NSHDSACASA-N 428.794 3.659 0 40 IHAB O=C(Cc1csc(NS(=O)(=O)c2ccccc2)n1)Nc1ccc(F)c(Cl)c1 9828718 DMMHAJUEGONEFO-UHFFFAOYSA-N 425.894 3.918 0 40 IHAB COc1ccc(CCC2CCN([C@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)cc1OC 9933944 MHSQIEXMYRBMHO-NRFANRHFSA-N 440.515 3.820 0 40 IHAB COc1ccc(C(=O)N[C@H]2CCSc3ccccc32)cc1S(=O)(=O)NC1CCCC1 9956437 CKWAULKYSQZKPU-SFHVURJKSA-N 446.594 3.883 0 40 IHAB COc1cc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCOCC3)c2cc1OC 9969399 IRGGQTQSEOTASD-UHFFFAOYSA-N 448.928 3.575 0 40 IHAB Cc1[nH]c(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)nc1Cc1ccccc1 9984334 YCZLXKPJFDQYMX-UHFFFAOYSA-N 447.564 3.838 0 40 IHAB O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(NS(=O)(=O)c2cccs2)cc1 10054974 UYDKUWPZZAMXMN-UHFFFAOYSA-N 443.550 3.638 0 40 IHAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)[C@H]1CC(=O)N(c2cccc(SC)c2)C1 10276009 CGIYOZPUMSACOF-AWEZNQCLSA-N 447.507 3.527 0 40 IHAB COc1ccc([C@@]2(C)NC(=O)N(Cc3nc(-c4cccs4)oc3C)C2=O)cc1OC 10388492 FPRJHITYCIMSSI-OAQYLSRUSA-N 427.482 3.696 0 40 IHAB O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1ccc(Cn2cncn2)cc1 11163526 ZLKPGNKPQMODHF-UHFFFAOYSA-N 430.537 3.594 0 40 IHAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NCCCOC1CCCCC1 11356236 JGALIOFOHWMGEF-UHFFFAOYSA-N 427.471 3.548 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1cccc(I)c1 11430360 JMZCPQQKZIZGGD-UHFFFAOYSA-N 445.260 3.915 0 40 IHAB O=C(Nc1ccc(F)c(Cl)c1)N1CCC2(CC1)NC(=O)N(Cc1ccccc1)C2=O 11694136 NNFZRUMZULDUED-UHFFFAOYSA-N 430.867 3.598 0 40 IHAB Cc1ccccc1-n1ncc2c(C(C)C)nn(CC(=O)N3CCc4ccccc43)c(=O)c21 12229055 POQBAQOZWRGAEG-UHFFFAOYSA-N 427.508 3.603 0 40 IHAB CCCOc1cccc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccc(C)cc2)c1 12291669 IVOIDBVVNSDLPP-WAOWUJCRSA-N 436.430 3.888 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CCn1c(=S)[nH]c2ccccc2c1=O 12510661 KYMDZHOOJTUXTB-UHFFFAOYSA-N 433.537 3.568 0 40 IHAB CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 12525706 WZHPFAYCYQNTGB-UHFFFAOYSA-N 445.850 3.892 0 40 IHAB CSc1ncc(C(=O)NCC(=O)Nc2ccccc2Br)n1-c1ccccc1 12580901 VLXYQDAKJGHXIJ-UHFFFAOYSA-N 445.342 3.725 0 40 IHAB CCc1c(C)sc2nc(SCC(=O)c3ccc4c(c3)OCO4)n(CCOC)c(=O)c12 12634990 LKXVDZTUDMBKOA-UHFFFAOYSA-N 446.550 3.679 0 40 IHAB C[C@@H](OC(=O)c1c(F)cccc1F)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 12785063 UTMLUNOUAXEYAV-SECBINFHSA-N 428.313 3.514 0 40 IHAB CCc1ccc([C@@H](C(=O)NCc2ccc(F)cc2)N(C(=O)c2csnn2)C2CC2)cc1 12872955 MDBFZCDJFREKNQ-NRFANRHFSA-N 438.528 3.902 0 40 IHAB O=C(CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)c1ccc2[nH]c(=O)oc2c1 13029694 YPPQKGWWIUGKBO-ZDUSSCGKSA-N 442.522 3.595 0 40 IHAB C[C@H]1CCC[C@@H](C)N1C(=O)[C@@H](C)OC(=O)CSCC(=O)Nc1ccc(Cl)cc1 13097480 YXRHBPUTSUELOS-QLFBSQMISA-N 426.966 3.733 0 40 IHAB CCOc1cc(C(=O)OCC(=O)N2[C@H](C)CCC[C@H]2C)cc(Br)c1OC 14129424 JZRMPODBIARPSS-CHWSQXEVSA-N 428.323 3.803 0 40 IHAB Cc1ccc(CN2C[C@@H](C(=O)OCC(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)cc1 15303415 NHHWLRDNSGYHFA-HNNXBMFYSA-N 435.307 3.832 0 40 IHAB CCNc1c(NS(=O)(=O)c2ccc(Br)s2)c(=O)oc2ccccc12 15951922 FWXMJMVQESRZEC-UHFFFAOYSA-N 429.317 3.850 0 40 IHAB Cc1ccc(CN(C(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)o1 16742578 QMAVWIRJHCDIAZ-PKOBYXMFSA-N 433.570 3.869 0 40 IHAB O=C(NC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccccc1F 16949710 LUMXBJAXMVJBMY-UHFFFAOYSA-N 430.789 3.565 0 40 IHAB Cc1nc(Nc2nc3ccccc3o2)nc(C)c1C(=O)N1CCN(c2ccccc2)CC1 18167235 PNXQXNNESWYTNA-UHFFFAOYSA-N 428.496 3.941 0 40 IHAB COc1ccc(-c2noc([C@@H]3CN(C(=O)Cc4coc5cc(C)ccc45)CCO3)n2)cc1 19221642 DBFHWNZUUQONFH-NRFANRHFSA-N 433.464 3.942 0 40 IHAB COc1ccc(OC)c(CN2CC[C@@](Cc3cccc(-c4ccncc4)c3)(C(N)=O)C2)c1 19551417 IGRACLSGJMTQQR-SANMLTNESA-N 431.536 3.686 0 40 IHAB Cc1noc(CCC(=O)N2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2cccc(F)c2)n1 19694604 BAKRCAFGRJEJLD-LJQANCHMSA-N 438.507 3.727 0 40 IHAB CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CCN(CC(=O)N2CCCc3ccccc32)C1 19701985 VJDXAURLVHUDCN-GOSISDBHSA-N 448.592 3.767 0 40 IHAB CNc1nc([C@H]2CCCN2C(=O)C(C)(C)Oc2cccc(C)c2C)nc2c1CCN(C)C2 19707438 SVAGCQWNEQGNCB-HXUWFJFHSA-N 437.588 3.644 0 40 IHAB COc1ccc(NC(=O)c2cnc(C)nc2CC2CCN(Cc3cccnc3)CC2)cc1 19758969 QTUNKYJHJZIGKW-UHFFFAOYSA-N 431.540 3.896 0 40 IHAB Cc1nc([C@H]2CCCN(C(=O)Cc3ccccc3F)C2)ncc1C(=O)NCc1ccccc1 19765423 UGYGPIRMCUFIRR-NRFANRHFSA-N 446.526 3.803 0 40 IHAB Cc1cccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)NCc3ccccc3)CC2=O)c1 20373069 KQLYGWHNEZWANG-HXUWFJFHSA-N 427.504 3.917 0 40 IHAB O=C(CSc1nc(=O)n(Cc2ccco2)c2c1CCC2)Nc1nc2ccccc2s1 21114417 LPZPZXACTOLEEL-UHFFFAOYSA-N 438.534 3.714 0 40 IHAB O=C(Nc1cc2c(cc1Cl)OCCO2)c1occc1CS(=O)(=O)c1ccccc1 22020630 DNHLXFPJAFLJNC-UHFFFAOYSA-N 433.869 3.930 0 40 IHAB CCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2F)cc1OCC 22459262 YWSADEMYDLZXCU-UHFFFAOYSA-N 444.912 3.536 0 40 IHAB CCOc1cc(Br)c(CN2Cc3ccccc3C[C@@H]2C(N)=O)cc1OCC 24060721 OSXVLWVNXLVHJB-GOSISDBHSA-N 433.346 3.659 0 40 IHAB CC[C@H](C)c1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@H](C)n3cncn3)cc2)cc1 24576530 ZCIBRTNFITWCKX-HOTGVXAUSA-N 427.530 3.792 0 40 IHAB CCn1c(/C(Cl)=C/c2ccccc2F)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 24988350 BQBWIZCFNSBMDB-LGMDPLHJSA-N 449.935 3.953 0 40 IHAB CCOC(=O)C1CCN(C(=O)CSc2nc3c(n2-c2ccccc2)CCCC3)CC1 25760324 NVZFGCBSBVTQEN-UHFFFAOYSA-N 427.570 3.645 0 40 IHAB CC(C)c1ccc(CN(Cc2ccco2)C(=O)COc2ccc(-n3cnnn3)cc2)cc1 27794498 CURJCRNQZMIILC-UHFFFAOYSA-N 431.496 3.987 0 40 IHAB CC(C)c1nnc(SCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1N 32910942 BDEVXOURBQKPPV-UHFFFAOYSA-N 427.374 3.884 0 40 IHAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CN2CC(=O)Nc3ccccc32)cc1 33404876 YNGXJAUDTAJKGD-DEOSSOPVSA-N 440.503 3.832 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C)c2ccc(F)cc2)cc1 33472980 SYUNXMLGGOXDPT-UHFFFAOYSA-N 428.485 3.977 0 40 IHAB Cc1ccc2[nH]c(C)c(CC(=O)Nc3cc(C(C)(C)C)nn3[C@@H]3CCS(=O)(=O)C3)c2c1 40070209 HZESWNNCMAWXJJ-MRXNPFEDSA-N 442.585 3.820 0 40 IHAB CCc1nn2c(nnc3c(=O)n(NC(=O)c4ccc(Cl)cc4)ccc32)c1-c1ccccc1 40390794 OPIMOFFLFUDXQL-UHFFFAOYSA-N 444.882 3.706 0 40 IHAB COC(=O)[C@H](CCSC)NC(=O)c1nc(SCc2ccc(C)cc2)ncc1Cl 41156282 KUATXZYFPXVLPL-HNNXBMFYSA-N 439.990 3.755 0 40 IHAB O=C([C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1)N1CCc2ccccc21 57352548 SATUNNCZIZJGCO-QHCPKHFHSA-N 436.508 3.531 0 40 IHAB CCCN1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)CC1 58149030 YBLXDHJYDVNVJK-UHFFFAOYSA-N 434.540 3.724 0 40 IHAB Cc1ccc(C2=NN(C(=O)CN3CCN(c4ccccc4O)CC3)[C@@H](c3ccco3)C2)cc1 58170543 PEENFIRLTZUOAD-HSZRJFAPSA-N 444.535 3.794 0 40 IHAB O=C(Cn1nc(-c2ccc(Br)cc2)ccc1=O)Nc1nc2c(s1)CCCC2 61717992 CGLVTGHQYXUXBY-UHFFFAOYSA-N 445.342 3.647 0 40 IHAB CCNc1ccc(S(=O)(=O)N(CC)CC)cc1NCC(=O)N1c2ccccc2C[C@H]1C 65533019 OLBOUVOAMNQLAU-QGZVFWFLSA-N 444.601 3.539 0 40 IHAB COC(=O)c1cc(C)nc2nc(SCC(=O)c3cc(C)c(C)c(C)c3C)[nH]c(=O)c12 65585048 VGRGTEBVBFTFTN-UHFFFAOYSA-N 425.510 3.622 0 40 IHAB COc1cc(OC)cc(C(=O)N2CCC(c3nc(-c4ccc5c(c4)OCO5)no3)CC2)c1 67205978 MOMYUHRAPMUCMJ-UHFFFAOYSA-N 437.452 3.502 0 40 IHAB COC(=O)C[C@H](NC(=O)C(=O)Nc1ccc2oc(C3CC3)nc2c1)c1ccccc1Cl 78517597 ZGYMAWGAZZKWJX-INIZCTEOSA-N 441.871 3.718 0 40 IHAB C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCCC(=O)Nc1cc(Cl)ccc1O 84674079 JFCAPXWCKGSFSK-JOCHJYFZSA-N 427.888 3.763 0 40 IHAB Cc1ccc(N(C)[C@@H]2CCCN(C(=O)Nc3ccc(F)cc3CS(C)(=O)=O)C2)cc1 95942689 WXRVQOZNNTVUPN-HXUWFJFHSA-N 433.549 3.811 0 40 IHAB O=C(Nc1cccc(Cl)c1)C1=NO[C@@]2(CCCN(C(=O)NCc3ccccc3)C2)C1 96225406 SRSYLQNXCJBWNS-QFIPXVFZSA-N 426.904 3.799 0 40 IHAB CC(=O)OC[C@]1(C)CCC[C@@]23CO[C@@H]4C[C@H]5[C@@H](C)C(=O)[C@@]6([C@@H]42)[C@@H](C[C@@H]31)OC(C)(C)O[C@H]56 100359346 NVXQUVWEFNMDFY-PAABMJJLSA-N 432.557 3.506 0 40 IHAB Cc1ccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)C(=O)c2ccccc2)c(C)c1 100396479 UBRRSJSTZHOYAV-FWDUKEBRSA-N 426.516 3.961 0 40 IHAB O=C(NCCCc1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 219008573 FCGNNSJURHPCFI-UHFFFAOYSA-N 438.952 3.629 0 40 IHAB Cc1c(C(=O)NCCSCc2ccccc2Cl)cccc1N(C)S(C)(=O)=O 222428855 SNYZUESEQBMRJZ-UHFFFAOYSA-N 426.991 3.707 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCCSCc1ccccc1)c1ccc(F)c(F)c1 222676533 VOSVSXKAHHICBE-UHFFFAOYSA-N 442.553 3.561 0 40 IHAB CC(C)C(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NC[C@@H]1CCCO1 223203195 MLIQMQFQFCJBPW-XZOQPEGZSA-N 426.532 3.717 0 40 IHAB Cc1[nH]c2ccc(F)cc2c1CC(=O)Nc1cccc(CS(=O)(=O)NCC(C)C)c1 223231537 AGKNCCOFKVSSSP-UHFFFAOYSA-N 431.533 3.872 0 40 IHAB CS(=O)(=O)N(Cc1ccc(C(=O)NCCc2ccc(F)cc2)cc1)c1ccccc1 223796753 YRZLKEYUXIBQEV-UHFFFAOYSA-N 426.513 3.764 0 40 IHAB CCC1(CC)C[C@H](NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)c2ccccc2O1 223943109 CGWHQVMJSXAFQR-IBGZPJMESA-N 434.533 3.791 0 40 IHAB COc1ccc(CN(C(=O)COc2ccccc2F)[C@H](C)C(=O)NC2CCCC2)cc1 224074447 BQQKOZDRXIOQNQ-QGZVFWFLSA-N 428.504 3.689 0 40 IHAB COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2c(OC)cccc2OC)cc1 224538234 QNQPSXIMKGIHLL-UHFFFAOYSA-N 442.493 3.766 0 40 IHAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(OC)c(OC)c1 225003839 UIHQTGSFPWLWOG-RTBURBONSA-N 426.557 3.968 0 40 IHAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2cccc(NC(C)=O)c2)cc1OC 225169703 YZXHZUMVEVTBMK-ZHZULCJRSA-N 449.463 3.665 0 40 IHAB C=CCOc1ccccc1C=c1sc2nc(-c3ccccc3Br)nn2c1=O 254791701 QGGMMGSXOQKPHK-UHFFFAOYSA-N 440.322 3.693 0 40 IHAB COc1ccc(F)cc1-c1ccc(CC2(C(=O)NCCc3cnc[nH]3)CCOCC2)cc1 257199955 ABKSAABJZYMJCZ-UHFFFAOYSA-N 437.515 3.923 0 40 IHAB COc1c(C)cccc1C(=O)N1CC[C@@H](c2ccc3c(NCc4ccccn4)n[nH]c3n2)C1 257244890 INFOXRKDOUGSKK-QGZVFWFLSA-N 442.523 3.912 0 40 IHAB O=C(CN1CCC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCC[C@H](c2ccccc2)C1 257288409 PUBIPHYXRHOIBJ-XZOQPEGZSA-N 448.611 3.555 0 40 IHAB Cc1cc(Nc2nncs2)cc([C@@H]2CN(C(=O)CCOc3ccccc3C)CCO2)n1 257338230 YWMWQLZGDBFHBA-FQEVSTJZSA-N 439.541 3.663 0 40 IHAB COc1cc(Cl)cc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@H]4NC(=O)CCO)c1OC 257340272 ZFHHKLAFEFBSMP-DOTOPMSGSA-N 437.964 3.738 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](C)c3ccc(C)c(C)c3)C2)cc1 260453376 MHIMSEPKWCYTHM-QUCCMNQESA-N 430.570 3.590 0 40 IHAB Cc1cccc(C)c1NC(=O)COC(=O)c1cccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 408653192 DIBNGYQCISFUGO-BGYRXZFFSA-N 432.476 3.555 0 40 IHAB CCCCc1ccc(NC(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 408703429 FVNQZHIIIRKKMG-MRXNPFEDSA-N 432.542 3.594 0 40 IHAB CCCOc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(C)c(Cl)c3)CC2=O)cc1 409171057 YXRYEKKCWJNMOX-MRXNPFEDSA-N 444.915 3.972 0 40 IHAB CCc1c(C)sc2nc(SCC(=O)NCC3CCC3)n(C[C@H]3CCCO3)c(=O)c12 518687821 GKCNJXQNBQFEII-OAHLLOKOSA-N 435.615 3.516 0 40 IHAB C[C@@]1(c2cccc(C(=O)Nc3ccc4nc(-c5cccc(F)c5)[nH]c4c3)c2)NC(=O)NC1=O 532030110 COLFDUFYDIFRKT-DEOSSOPVSA-N 443.438 3.676 0 40 IHAB CCN1CCN(C(=O)c2ncccc2O)C[C@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 585183631 UNELPSYOVIXJHO-FQEVSTJZSA-N 447.510 3.757 0 40 IHAB CN1CCC[C@@H](CNC(=O)c2ccc3c(c2)Cc2cccc(c2)C(=O)NCCCCCO3)C1 643577108 FVNZFRQZYFVZOA-NRFANRHFSA-N 449.595 3.642 0 40 IHAB O=C(N[C@H]1CCN(c2ncccc2Cl)C1)c1ccn(-c2ccccc2C(F)(F)F)n1 1631239931 MTTUDOLCLDVRCZ-ZDUSSCGKSA-N 435.837 3.948 0 40 IHAB CC(=O)N1CCCCCCCN(CC(C)C)Cc2cc(C(=O)NCCC(=O)O)ccc21 2037940798 ZZCHMIGJYBBKBW-UHFFFAOYSA-N 431.577 3.666 0 40 IHAB Nc1ccc(C(=O)N(CCN2CCC(C(=O)c3ccccc3)CC2)c2cccnc2)cc1 602006 WDLKXXMEFJRKFM-UHFFFAOYSA-N 428.536 3.906 0 40 IHAB COc1ccccc1OCC(=O)Nc1ccc(NC(=O)COc2ccccc2OC)cc1 674032 NHYCVIHOQMXORO-UHFFFAOYSA-N 436.464 3.739 0 40 IHAB CCOC(=O)c1csc(N2N=C(/C=C/c3ccccc3O)C[C@]2(O)C(F)(F)F)n1 1419325 KUBZHPLMZCIBGK-OZSKJFCKSA-N 427.404 3.556 0 40 IHAB CCN1CCN(c2nc3ccccc3nc2Nc2sc(C)c(C)c2C(=O)OC)CC1 2320919 YTWRZWIYGUUBIU-UHFFFAOYSA-N 425.558 3.980 0 40 IHAB O=C(CSc1nc(O)c2cnn(-c3ccccc3)c2n1)Nc1nc2ccccc2s1 2717777 NGJVUXBPHXQKGF-UHFFFAOYSA-N 434.506 3.862 0 40 IHAB CCn1ncc(-c2ccnc(SCC(=O)Nc3c(F)c(F)cc(F)c3F)n2)c1C 2809628 QBIOCSIOWLHJKH-UHFFFAOYSA-N 425.411 3.956 0 40 IHAB C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)NCCCc2ccccc2)C1=O 3331145 HXTUXKUPEOUBPQ-NRFANRHFSA-N 434.323 3.509 0 40 IHAB Cc1ccc2c(COC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)cc(=O)oc2c1C 3413231 WNIFWQRWKGBBNA-UHFFFAOYSA-N 441.505 3.551 0 40 IHAB CCn1c(SCC(=O)N[C@@H]2CCCC[C@H]2C)nnc1[C@@H](C)NC(=O)c1ccccc1 4698799 FYFHXTJHRWZTQY-JFIYKMOQSA-N 429.590 3.576 0 40 IHAB Cc1cccc2cc([C@H](c3nnnn3Cc3ccccc3)N3CCC[C@H](C)C3)c(=O)[nH]c12 6444141 KMMHPQZWBZFJDY-GAJHUEQPSA-N 428.540 3.693 0 40 IHAB CCSc1nnc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)s1 8692392 YMHHKMRDVOEKFH-UHFFFAOYSA-N 434.568 3.728 0 40 IHAB CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)COc1cccc(Br)c1 8753980 PXINEDJKAFJXJD-UHFFFAOYSA-N 439.737 3.646 0 40 IHAB CC[C@@H](C)NC(=O)c1cccc(N2C(=O)N3CCc4c([nH]c5ccccc45)[C@@]3(C)C2=O)c1 8918487 FVCDBYPBZKFMLK-BZQUYTCOSA-N 430.508 3.936 0 40 IHAB biogenic CCOC(=O)c1c(-c2ccco2)csc1NC(=O)Cn1nnc(-c2ccccc2C)n1 9160900 NERAGGFIUPEAKO-UHFFFAOYSA-N 437.481 3.785 0 40 IHAB O=C(CSc1nncn1-c1ccccc1)Nc1ccccc1C(=O)NCc1ccccc1 9204441 AVVOOSCQDVZZAS-UHFFFAOYSA-N 443.532 3.928 0 40 IHAB CCOc1cc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2C[C@@H]2CCCO2)ccc1O 9408918 ZIMZOJXVKKUDFO-WNSKOXEYSA-N 435.480 3.611 0 40 IHAB COc1ccc2c(C)c(CC(=O)NC3CCN(Cc4ccccc4)CC3)c(=O)oc2c1C 9450861 UTINTFGBWDFMDH-UHFFFAOYSA-N 434.536 3.742 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)O[C@H](C)c2nnc(-c3ccc(F)cc3)o2)cc1 9460333 BEFFMGWQDCPMDD-CQSZACIVSA-N 447.488 3.824 0 40 IHAB O=C(CN1C(=O)N[C@H](Cc2ccccc2)C1=O)Nc1ccccc1Sc1ccccc1 9494631 SYLIKNGTQRADJC-HXUWFJFHSA-N 431.517 3.939 0 40 IHAB COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)Oc1ccccc1F 9671241 CWFLAPFBUFGSLO-UHFFFAOYSA-N 427.453 3.805 0 40 IHAB COc1cc2nc(NCCCN3CCCCC3)n3nc(-c4cccnc4)nc3c2cc1OC 9831160 CPUINNKUTSYCCT-UHFFFAOYSA-N 447.543 3.645 0 40 IHAB C[C@H](Sc1nnc(N2CCCC2)n1C[C@H]1CCCO1)C(=O)c1c[nH]c2ccccc12 10518757 ZCORIIACEFTUGM-JKSUJKDBSA-N 425.558 3.902 0 40 IHAB COC[C@@H](C)n1c(SCCCc2nc(-c3cccnc3)no2)nc2ccccc2c1=O 11005876 OBHHWCDFBOOFMW-OAHLLOKOSA-N 437.525 3.774 0 40 IHAB CCOc1ccccc1NC(=O)CN1CCN(c2nccn2-c2cccc(Cl)c2)CC1 11695786 TURBKQXKJQLVHH-UHFFFAOYSA-N 439.947 3.685 0 40 IHAB C[C@@H]1Cc2nc(SCC(=O)NC3CCCCC3)n(Cc3ccccc3)c(=O)c2S1 11726594 YERLXMLWKMAWHL-OAHLLOKOSA-N 429.611 3.869 0 40 IHAB CC[C@H](Oc1ccc(C)cc1)C(=O)NC[C@H](C)NC(=O)[C@H](CC)Oc1ccc(C)cc1 12404090 WWIGNBPJZHTHOD-VJBMBRPKSA-N 426.557 3.939 0 40 IHAB Cn1ccnc1[C@H](NC(=O)CSCC(=O)Nc1ccc(F)cc1)c1ccc(Cl)cc1 12507689 PYEUQJNCCBQVKE-HXUWFJFHSA-N 446.935 3.790 0 40 IHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(Sc2nnc(NC3CC3)s2)nc1 12537728 JXOQMGSCZHMGIH-UHFFFAOYSA-N 433.584 3.874 0 40 IHAB Cc1ccc(NC(=O)CN2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)c(Cl)c1 12587853 KGOIDCMTDBTVFA-NRFANRHFSA-N 427.932 3.867 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NC[C@@H](c3ccco3)N(C)C)cc2)c1 12604998 WUOKJVXNSLTTLW-FQEVSTJZSA-N 441.553 3.730 0 40 IHAB COc1ccc(C(=O)CCC(=O)N2CCC(c3noc(-c4ccccn4)n3)CC2)cc1C 12668872 OZLGCZQPJDWLSX-UHFFFAOYSA-N 434.496 3.818 0 40 IHAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3ccc(Cl)cc3)c12 12766661 NSTRPTSTUQQZOQ-INIZCTEOSA-N 444.944 3.882 0 40 IHAB CC[C@@H](C)c1ccccc1OCC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1O 12769364 SITODKUTWBCCCD-MRXNPFEDSA-N 434.558 3.954 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N1CCCc2ccccc21 12843636 AKGSVLROYPIIPR-UHFFFAOYSA-N 428.554 3.853 0 40 IHAB CCn1c(SCC(=O)N2CCN(Cc3cccc(C)c3)CC2)nnc1-c1cccs1 12971678 ALPHNPOAYGYIOB-UHFFFAOYSA-N 441.626 3.771 0 40 IHAB O=C(C[S@@](=O)Cc1ccc(F)cc1Br)N1CCCc2cccc(F)c21 12971885 IJXCSFDYJZCUNF-RUZDIDTESA-N 428.298 3.955 0 40 IHAB C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 13058088 MWDJYVWXXWXGIB-CQSZACIVSA-N 438.881 3.854 0 40 IHAB Cn1cccc1C(=O)NC(=O)CSc1ncnc2cc(-c3ccc(F)cc3)sc12 13117050 JIJVXMMBHUYRLU-UHFFFAOYSA-N 426.498 3.885 0 40 IHAB O=C(c1ccc2c(c1)N(CC(=O)N1CCCc3ccccc31)C(=O)CO2)c1cccs1 13267336 LCIRSEKREKQFCB-UHFFFAOYSA-N 432.501 3.684 0 40 IHAB O=c1cc(-c2ccccc2)c2cc(Cl)c3c(c2o1)CN(CCCN1CCOCC1)CO3 13606891 VSICZLLISLMUPB-UHFFFAOYSA-N 440.927 3.988 0 40 IHAB CC[C@@H](C(=O)N1CCN(c2cccc(C)c2C)CC1)N(c1ccc(C)cc1)S(C)(=O)=O 13713916 BGSACFGXBPTBKD-QFIPXVFZSA-N 443.613 3.505 0 40 IHAB CN(C[C@H]1COc2ccccc2O1)C(=O)CN1CCC[C@@H](c2nc3ccccc3s2)C1 14071103 DOZBKLMEJWOGOJ-MSOLQXFVSA-N 437.565 3.774 0 40 IHAB COc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(N3CCN(C)CC3)c(Cl)c2)cc1 14271824 ASVDGKMZKUZXHS-BJMVGYQFSA-N 444.988 3.627 0 40 IHAB C[C@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)c1ccc(-n2cncn2)cc1 14633365 VEODLXSUZNOANK-NSHDSACASA-N 430.839 3.979 0 40 IHAB Cc1cc(NC(=O)[C@H](OC(=O)c2cc(Cl)c3c(c2)OCCO3)c2ccccc2)no1 16129158 HXHZGLXJNBHWDR-GOSISDBHSA-N 428.828 3.944 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 17824407 UKCAEXIRUTXJBH-IBGZPJMESA-N 430.508 3.549 0 40 IHAB C[C@@H](OC(=O)CCn1c(=O)oc2cc(Cl)ccc21)C(=O)N1c2ccccc2C[C@H]1C 19161209 NAQKVVSBDSUHRQ-ZIAGYGMSSA-N 428.872 3.548 0 40 IHAB CN(C)c1ncc(-c2cccc(F)c2)c([C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)n1 19694505 MOWHHENTXGZLHE-GOSISDBHSA-N 440.544 3.917 0 40 IHAB Cc1nc(C2CCN(C(=O)c3ccccn3)CC2)nc2c1CCCN2Cc1ccccn1 19705710 PUDKRNGPPPJBHK-UHFFFAOYSA-N 428.540 3.548 0 40 IHAB COc1ccccc1NC(=O)c1cnc([C@@H]2CCCCN2C(=O)c2ccccn2)nc1C 19755683 XXQXYUJQQFFDCV-FQEVSTJZSA-N 431.496 3.808 0 40 IHAB CC(C)CNC(=O)c1cc([C@H]2CN(C(=O)COc3ccccc3)CCO2)nc2ccccc12 19762921 SGNMWNIYHHQRTO-XMMPIXPASA-N 447.535 3.600 0 40 IHAB CCN(CC(=O)Nc1ccc(F)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(OC)c(C)c1 19930012 LAKAEQLDEKAEOL-UHFFFAOYSA-N 448.438 3.811 0 40 IHAB CSc1ccc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 20017852 XVFZCCCDSPYQLA-OAHLLOKOSA-N 436.574 3.826 0 40 IHAB Cc1cc(C)c2nc(-n3nc(C)cc3NC(=O)CN3C(=O)c4ccccc4C3=O)sc2c1 21686511 LUGYCQHDHTVVBN-UHFFFAOYSA-N 445.504 3.642 0 40 IHAB COc1ccc(Cl)cc1N(CC(=O)NC1CCCCC1)S(=O)(=O)c1ccccc1 22274660 XLVSZKRCONIRFT-UHFFFAOYSA-N 436.961 3.993 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N(C)Cc1ccc(Cl)cc1 22524723 NJCXNNSPFFFOSA-UHFFFAOYSA-N 436.961 3.795 0 40 IHAB C[C@@H](NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 22535397 RVGCJNVMNWDUHB-LJQANCHMSA-N 440.540 3.937 0 40 IHAB C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1)c1ccc(F)cc1 22539569 AYBYXWGTJDZEMM-JTSKRJEESA-N 426.513 3.593 0 40 IHAB COc1ccc(C)cc1NC(=O)C(=O)NC[C@@H](c1ccsc1)N1CCc2ccccc2C1 22766699 OZZBCPGPKPUGTO-QFIPXVFZSA-N 449.576 3.919 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc2c3c(cccc13)CC2 24870322 UIOCOFTWRFUEHR-UHFFFAOYSA-N 436.533 3.520 0 40 IHAB Cc1ccc2c(Cl)cc(Cl)c(OCCOc3ccc(S(N)(=O)=O)cc3)c2n1 25398732 QVBHGDQWGFACKD-UHFFFAOYSA-N 427.309 3.955 0 40 IHAB COc1c2c(c(C)c3c1C(=O)OC3)O[C@@]1(C)CC[C@@]3(C(C)(C)O)OC(=O)CC[C@]3(C)[C@H]1C2 31160800 HXJGKPQYSSUARF-AMKSYCFISA-N 444.524 3.631 0 40 IHAB biogenic,in-vitro COc1ccc(NC(=O)c2ccc3c(=O)n(-c4ccccc4OC)cnc3c2)cc1OC 32092187 KZVNPRBTLNTRKS-UHFFFAOYSA-N 431.448 3.664 0 40 IHAB O=S1(=O)C[C@H]2N=C(SCc3ccc(F)cc3Cl)N(c3ccccc3F)[C@@H]2C1 32640423 VTQKLPUFAXEMOO-NVXWUHKLSA-N 428.913 3.893 0 40 IHAB COCCCn1c(=O)c2ccccc2n2c(S[C@H](C)c3nc(C(C)(C)C)no3)nnc12 32754497 OMXXRTVIUMKMPS-CYBMUJFWSA-N 442.545 3.615 0 40 IHAB Nc1nc(COC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)nc2ccccc12 32831389 FLAIVZVGURXJOE-QGZVFWFLSA-N 445.306 3.867 0 40 IHAB CCCn1c(=O)c2cc(Cl)ccc2n2c(SCC(=O)Nc3ccccc3F)nnc12 33255057 UWNYWEBCTNTTAL-UHFFFAOYSA-N 445.907 3.978 0 40 IHAB CCOc1cccc(-c2noc(CSc3nc4[nH]ncc4c(=O)n3-c3ccccc3)n2)c1 33292210 XLKFDWLNVHKOCM-UHFFFAOYSA-N 446.492 3.850 0 40 IHAB Cc1cccc(S(=O)(=O)NC[C@@H](c2ccc(F)cc2)S(=O)(=O)c2cccs2)c1 33326593 MHQVCCNFLQCDGM-SFHVURJKSA-N 439.555 3.689 0 40 IHAB CC(C)S(=O)(=O)c1ccc(Cc2nnc(NC(=O)c3cc4ccccc4o3)o2)cc1 35588402 AMQIURVPOCGIGW-UHFFFAOYSA-N 425.466 3.841 0 40 IHAB Cc1cccn2c(=O)cc(CSc3nnc(NC(=O)Nc4ccccc4F)s3)nc12 41086127 IXPGJZFGSIADHR-UHFFFAOYSA-N 442.501 3.930 0 40 IHAB O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)[C@H](c1ccccc1)n1cccn1 48356006 LITWZLVBSSKGEV-FQEVSTJZSA-N 444.944 3.549 0 40 IHAB CCOc1ccc(NS(=O)(=O)c2n[nH]c(C)c2C(=O)Nc2cccc(SC)c2)cc1 49003395 WCWFOTFZRBPGQP-UHFFFAOYSA-N 446.554 3.892 0 40 IHAB O=C(NCc1ccncc1)[C@@H]1CCCN(c2nc3c(-c4ccccc4)csc3c(=O)[nH]2)C1 49421211 ZCWBQRXUQZNNPN-GOSISDBHSA-N 445.548 3.579 0 40 IHAB COc1cccc(N2CCN(Cc3nc(N)nc(Nc4ccc(C(C)C)cc4)n3)CC2)c1 54672231 QZIZMMQGYVVNHJ-UHFFFAOYSA-N 433.560 3.652 0 40 IHAB O=C(COc1coc(CN2CCN(c3ccccc3)CC2)cc1=O)c1ccc(Cl)cc1 56949986 VHNFDOKRBLVQDL-UHFFFAOYSA-N 438.911 3.877 0 40 IHAB Cc1ccc(NC(=O)Cn2cnc3c(cnn3-c3cc(Cl)ccc3C)c2=O)cc1F 57486473 BILLHBNXRNTCHM-UHFFFAOYSA-N 425.851 3.630 0 40 IHAB Cc1cccc2cc(CN(Cc3nnnn3C3CCCCC3)C[C@H]3CCCO3)c(=O)[nH]c12 57607209 OSOBFRJCBQHJEQ-OAQYLSRUSA-N 436.560 3.509 0 40 IHAB CCN(C(=O)[C@H](C)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)[C@H]1CCS(=O)(=O)C1 57739599 CMUZUWNRSRAHOS-RVBRCVSUSA-N 444.641 3.990 0 40 IHAB COc1cc([C@H]2CC(=O)Nc3c(C(=O)O)cn(-c4ccccc4F)c32)cc(OC)c1O 61720154 VBYXUWBRQQCFGV-GFCCVEGCSA-N 426.400 3.512 0 40 IHAB O=C(Nc1ccc(F)cc1F)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 64985372 ZKSJLZRCNLSFHK-HXUWFJFHSA-N 430.432 3.560 0 40 IHAB O=C(Cn1cc(C(=O)C(F)(F)F)c2ccccc21)NCc1ccc2c(c1)OCCCO2 64987019 QWPMONTUHZMFGC-UHFFFAOYSA-N 432.398 3.864 0 40 IHAB CN(C1CCCCC1)S(=O)(=O)N1CCC2(CC1)C[C@H]2c1nnc(-c2cccc(F)c2)o1 71890645 OAOFQJQJBQMFRM-IBGZPJMESA-N 448.564 3.955 0 40 IHAB O=C(Nc1ccccc1)Nc1ccc([C@H]2OCC(=O)N(Cc3ccccc3)[C@@H]2CO)cc1 72321103 IMJQHHXQIAICIT-ISKFKSNPSA-N 431.492 3.792 0 40 IHAB biogenic,in-vitro O=C(CN1CCC[C@H]1c1cc(CCOc2cccc(Cl)c2)[nH]n1)Nc1nccs1 72378319 VYVYQYNSBJTXTP-SFHVURJKSA-N 431.949 3.917 0 40 IHAB O=C(O)c1ccc(CN2C[C@@H]3C[C@H]2C(=O)N(Cc2ccccc2)c2ccccc2O3)cc1 96111773 ZXJBEDSYPCGTSZ-GMAHTHKFSA-N 428.488 3.954 0 40 IHAB biogenic,in-vitro CCOC(=O)Cn1/c(=N/C(=O)Cc2ccccc2)sc2cc(Br)ccc21 100877295 AOQIXXPCYORLCH-VZCXRCSSSA-N 433.327 3.698 0 40 IHAB CC(C)ON1C(=O)[C@@H]2[C@@H](C1=O)[C@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl 104205027 CJOKNKQCRKVNOX-XNPHGXEZSA-N 427.926 3.773 0 40 IHAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NCCCc3ccccc3Cl)CC2)c1 216377134 PRNSOEFGUXVSEU-UHFFFAOYSA-N 449.016 3.939 0 40 IHAB COc1ccc([C@H](CC(C)C)NC(=O)[C@@H](C)N(c2cccc(OC)c2)S(C)(=O)=O)cc1 220183733 JQPOZWKFWIDFEF-VGSWGCGISA-N 448.585 3.762 0 40 IHAB CC[C@@H](C(=O)NCCSCc1cccc(C)c1)N(c1cccc(C)c1)S(C)(=O)=O 220504609 SAZASDQRZPLSBV-NRFANRHFSA-N 434.627 3.898 0 40 IHAB CC[C@H](C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)N(c1ccccc1F)S(C)(=O)=O 220604332 DMECSJLYUVWXDD-QZTJIDSGSA-N 434.533 3.789 0 40 IHAB CC[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N(c1cc(Cl)ccc1C)S(C)(=O)=O 220715579 YIQXSEXQQARSGI-INIZCTEOSA-N 438.933 3.603 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)NCCOCc2ccccc2)cc1 223866565 DDQXVVLLSJAHBR-UHFFFAOYSA-N 438.549 3.767 0 40 IHAB Cc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1nnc(SC(C)C)s1)S(C)(=O)=O 225843572 NOACHFSCCGEPHN-NSHDSACASA-N 449.023 3.794 0 40 IHAB CC1CCN(c2cc(Oc3ccccc3)nc(NC(=S)NC[C@@H]3CCCO3)n2)CC1 225908200 KBRNKQVMALRRTP-SFHVURJKSA-N 427.574 3.971 0 40 IHAB CC1CCN(c2cc(N3CCOCC3)nc(NC(=S)NC3CCCCCC3)n2)CC1 226010082 KRNYKWSKDFNVPK-UHFFFAOYSA-N 432.638 3.559 0 40 IHAB Cc1ccc(OC[C@@H](O)CN(C)Cc2ccc(OCCCN3CCCC3=O)cc2)c(C)c1 257231728 GHYQEXOZEBUGPM-QHCPKHFHSA-N 440.584 3.566 0 40 IHAB O=C1O[C@]2(CCCN(CC(=O)N3CCCc4ccccc43)CC2)CN1c1ccc(F)cc1 257259877 LAKJXFKTUVCXOK-VWLOTQADSA-N 437.515 3.986 0 40 IHAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(-c3ccc(F)cc3)o2)C1=O 409231212 IUISLWCTPMMZCI-LDADJPATSA-N 435.411 3.626 0 40 IHAB Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 588820391 NBCZZXYNYPFWLA-UHFFFAOYSA-N 425.388 3.720 0 40 IHAB Cc1c(C(=O)N2CCC[C@H]2c2cccc3c2OCCO3)nnn1-c1cccc2cccnc12 596975684 FIYMTJPBINGHAJ-IBGZPJMESA-N 441.491 3.872 0 40 IHAB COCC(=O)N1CCC2(CCCCc3ccccc3OC[C@H](CC(C)C)NC2=O)CC1 643579489 BJNLBQZFAWGDAB-NRFANRHFSA-N 430.589 3.578 0 40 IHAB C[C@H](CCNC(=O)c1ccc(Cn2cc(Br)cn2)s1)N1CCCCC1 1633864256 KWOJUTKAUSCVJE-CQSZACIVSA-N 425.396 3.750 0 40 IHAB CCc1ncc(CN2CCC([C@@H](CO)c3cccc(Nc4ncc(C)s4)n3)CC2)cn1 2037834973 NDASQBDEVOIPIT-LJQANCHMSA-N 438.601 3.931 0 40 IHAB COc1cccc(NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)c1 652472 RJKBXYKRYWUPGE-UHFFFAOYSA-N 426.494 3.538 0 40 IHAB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)o1 983056 CUMXKCCSGQTGBM-WOJGMQOQSA-N 440.477 3.612 0 40 IHAB O=C(NCc1ccccc1)[C@H](c1ccco1)N(C(=O)c1csnn1)c1ccc(F)cc1 1356976 QNQAZNFLFDTBTB-FQEVSTJZSA-N 436.468 3.975 0 40 IHAB COc1cccc([C@@H]2C3=C(N=c4s/c(=C\c5ccco5)c(=O)n42)c2ccccc2CC3)c1 1406855 CQMLRFPMFZSUHN-DLBLZJNESA-N 440.524 3.920 0 40 IHAB CCCOC(=O)c1c(N)n(CCc2ccc(OC)c(OC)c2)c2nc3ccccc3nc12 2398100 HRRGBZPQTFHPLQ-UHFFFAOYSA-N 434.496 3.993 0 40 IHAB C[C@@H](Sc1nnc(-c2ccc(Br)cc2)n1CCc1ccccc1)C(N)=O 3365082 CFHAQFFPZGMMJP-CYBMUJFWSA-N 431.359 3.916 0 40 IHAB O=C(O)c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccccc4F)[C@H]3C2=O)cc1 4295725 MDYBRCHPMKMXDC-NJDAHSKKSA-N 432.407 3.575 0 40 IHAB CCCn1c(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)nc2ccccc21 6467666 QAZNHJGBVYATQW-UHFFFAOYSA-N 432.571 3.547 0 40 IHAB Cc1ccc(O[C@@H](C)C(=O)Nc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)cc1 8720290 UZGWOERJTOGEEP-AWEZNQCLSA-N 431.539 3.896 0 40 IHAB COc1cccc(C(=O)COC(=O)CCCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)c1 8722534 CDXLCWHQUHSOSU-UHFFFAOYSA-N 441.480 3.795 0 40 IHAB Cc1cc(C)c2c3ccccc3n(CCNS(=O)(=O)c3cccc4nsnc34)c2n1 8777811 YQRIVDFRNCIDLV-UHFFFAOYSA-N 437.550 3.790 0 40 IHAB CCOc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC)c(OC)c1 8843639 RJYOPKPJYQFVPA-OAQYLSRUSA-N 425.485 3.759 0 40 IHAB CC(C)[C@H](NC(=O)CSc1nnnn1-c1ccccc1Cl)c1nc2ccccc2[nH]1 8973051 NPZIILURXDOGQE-SFHVURJKSA-N 441.948 3.798 0 40 IHAB COc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2C[C@H]2CCCO2)cc1OC 9124003 TWGPXKOWBGAJHP-CMJOXMDJSA-N 435.480 3.524 0 40 IHAB CC(=O)Nc1ccc(C(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)s2)cc1 9198077 FGVBBZBFKVAMLJ-QGZVFWFLSA-N 449.536 3.886 0 40 IHAB COc1cccc(Nc2nnc(SCc3cccc(S(=O)(=O)N(C)C)c3)s2)c1 9255265 AXJFUSFNBLCGEK-UHFFFAOYSA-N 436.584 3.833 0 40 IHAB Cc1cc(C(=O)CSc2nnc(C3CC3)n2C)c(C)n1C[C@@H]1COc2ccccc2O1 9256283 FSLJSTOCZPSRDQ-QGZVFWFLSA-N 438.553 3.926 0 40 IHAB CCCCCOc1ccccc1/C=c1/sc2nc([C@H]3COc4ccccc4O3)nn2c1=O 9346168 YIHDOGDQAFDBOB-DOAWATSRSA-N 449.532 3.780 0 40 IHAB O=C(CCCc1c[nH]c2ccccc12)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 9464606 UKUSCHYDTPGOPL-QGOAFFKASA-N 437.565 3.636 0 40 IHAB O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)NC(=O)NCc1ccco1 9507547 PPFYBZSCWFEPCY-UHFFFAOYSA-N 439.522 3.707 0 40 IHAB CCOC(=O)c1c(NC(=O)CSc2nnc3[nH]c4ccccc4n23)sc2c1CCC2 9507806 MPTUVKRFMWWHJP-UHFFFAOYSA-N 441.538 3.668 0 40 IHAB O=C(CSc1nnc(NCc2ccc(F)cc2)s1)c1c[nH]c(C(=O)N2CCCC2)c1 9592558 GJKMJUUCVPSPER-UHFFFAOYSA-N 445.545 3.828 0 40 IHAB COc1ccccc1NC(=O)c1ccc(NC(=O)COC(=O)c2cccc(C)c2O)cc1 9715973 YLRJGBLBORXMLF-UHFFFAOYSA-N 434.448 3.757 0 40 IHAB Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(N2CCOCC2)n1Cc1ccccc1 9949171 YTIRESIKNCXFHY-UHFFFAOYSA-N 447.564 3.928 0 40 IHAB CCCNS(=O)(=O)c1cc(C(=O)N[C@H](C)CCc2ccccc2)ccc1N1CCCC1 10009938 JOCUVKJYQHXNRI-LJQANCHMSA-N 443.613 3.726 0 40 IHAB CCNc1ccc(S(=O)(=O)N(C)C)cc1NCc1ccc(F)cc1Br 10173395 CEJWKUHLHBGTKA-UHFFFAOYSA-N 430.343 3.882 0 40 IHAB O=C(CNC(=O)N1CCc2c([nH]c3ccccc23)C1)N1CCC(Cc2ccccc2)CC1 12296859 YGNLFJZTOHWXTK-UHFFFAOYSA-N 430.552 3.717 0 40 IHAB biogenic O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 12391672 XDMVDIOXHWZMLM-GOSISDBHSA-N 445.485 3.839 0 40 IHAB COc1cccc(C(=O)Nc2c(C(=O)N3CCOCC3)sc3nc(C)cc(C)c23)c1 12589106 VVUPRDUAUVUCEG-UHFFFAOYSA-N 425.510 3.646 0 40 IHAB Cc1cccc(OCc2nnc(SCC(=O)Nc3ccccc3C(=O)NC3CC3)o2)c1 12674994 PPQQBHQKXDJUQV-UHFFFAOYSA-N 438.509 3.580 0 40 IHAB CCN(CC)[C@@H](CNC(=O)[C@H](C)NC(=O)c1ccc(Br)cc1)c1ccccc1 12737681 WEZVASVLRIONIU-JXFKEZNVSA-N 446.389 3.767 0 40 IHAB Cc1c(O[C@H](C)C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)ccc2c3c(c(=O)oc12)CCCC3 12863963 CUWCCCONWHQQCC-ZENTWMBTSA-N 439.552 3.901 0 40 IHAB biogenic O=C(NCCc1cccs1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 12889107 XBSVPFXABJHFRQ-UHFFFAOYSA-N 447.409 3.815 0 40 IHAB CCn1c(SCC(=O)Nc2cccc(C)c2)nc2nc3c(cc2c1=O)COC(C)(C)C3 13138552 NNCCEFCGRPXGCY-UHFFFAOYSA-N 438.553 3.702 0 40 IHAB COc1ccccc1CNC(=O)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1 13583610 YZINUOALVFZKDB-UHFFFAOYSA-N 436.533 3.767 0 40 IHAB Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)c2ccccc2n1 14092846 XYQNAAFHVWRERT-CALCHBBNSA-N 439.537 3.593 0 40 IHAB FC(F)(F)c1nnc2ccc(Sc3nnc(COc4ccc(Cl)cc4)o3)nn12 14288832 SSJUCUNZCGJTOQ-UHFFFAOYSA-N 428.783 3.910 0 40 IHAB O=C(Nc1nc2c(s1)CCCCC2)C1CCN(S(=O)(=O)c2ccccc2F)CC1 14554349 HWQVSDITKLBEQZ-UHFFFAOYSA-N 437.562 3.591 0 40 IHAB C[C@H](NC(=O)c1ccc(NC(=O)CSc2nccn2C)cc1)c1ccc(F)c(F)c1 16488652 OEHRCUAPNZBUDY-ZDUSSCGKSA-N 430.480 3.920 0 40 IHAB COc1ccc(CC(=O)N2CCC[C@H]2c2nc(N(C)C)ncc2-c2ccncc2C)cc1F 19239832 XQBBOVUZCBVPGD-NRFANRHFSA-N 449.530 3.967 0 40 IHAB CCCN1CCN(C(=O)c2c[nH]nc2C)C[C@@H](Cc2ccccc2-c2ccccc2)C1=O 19503195 RNROTKRRTBOOBR-JOCHJYFZSA-N 430.552 3.938 0 40 IHAB CCCNC(=O)c1nn(CC)cc1NC(=O)c1ccc(COCC(F)(F)C(F)F)cc1 19640213 IWRMESIVOLOJCI-UHFFFAOYSA-N 444.429 3.712 0 40 IHAB Cc1nc([C@@H]2CCN(C(=O)C3CCC3)C2)nc2c1CCC(=O)N2CCCc1ccccc1 19696250 LDYWIZPYWBKGGF-OAQYLSRUSA-N 432.568 3.813 0 40 IHAB CNc1nc([C@H]2CCCCN2C(=O)c2cc3c(C)cccc3[nH]2)nc2c1CCN(C(C)=O)C2 19708652 PSXMAGQNQDZZCE-JOCHJYFZSA-N 446.555 3.580 0 40 IHAB COc1ccc(NC(=O)c2cnc(C)nc2CC2CCN(CC3=CCCOC3)CC2)cc1 19757199 RQUSUHSRDRAVQQ-UHFFFAOYSA-N 436.556 3.647 0 40 IHAB CN(C)C(=O)c1cc([C@H]2CN(C(=O)CCCc3ccc(F)cc3)CCO2)nc2ccccc12 19762156 MWFZCGKGFBBLOS-XMMPIXPASA-N 449.526 3.999 0 40 IHAB COc1cc(CNS(=O)(=O)c2ccc3c(c2)OCCO3)ccc1OCc1ccccc1 20001767 PCKWUDKLAZIYGT-UHFFFAOYSA-N 441.505 3.524 0 40 IHAB COc1c(Cl)cc(C(=O)O)cc1NC(=S)NC(=O)c1cccc(Br)c1 20151801 FDBGNSOPDWOWCJ-UHFFFAOYSA-N 443.706 3.936 0 40 IHAB COc1ccc([C@@H](C)NC(=O)CCCN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1OC 20460694 KDPXJBVHALUXRO-GOSISDBHSA-N 448.585 3.744 0 40 IHAB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O 20820172 VAFWURYGRHLKGY-IRXDYDNUSA-N 436.508 3.549 0 40 IHAB Cc1[nH]c2ccc(C(=O)O[C@H](C)C(=O)Nc3sc4c(c3C(N)=O)CCC4)cc2c1C 21604999 SXZFDIABCPZFJU-GFCCVEGCSA-N 425.510 3.618 0 40 IHAB Cc1cc(-c2ccc(=O)[nH]n2)cc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)c1C 21718424 AGMXQIJSPLXABG-UHFFFAOYSA-N 437.565 3.697 0 40 IHAB C[C@H](OC(=O)c1ccc2c(c1)OCC(=O)N2)C(=O)N(Cc1ccccc1)Cc1ccccc1 22259888 HLHKCNBQMPZEEI-SFHVURJKSA-N 444.487 3.792 0 40 IHAB Cc1cc(C)c(N(CC(=O)NCCSc2ccc(Cl)cc2)S(C)(=O)=O)c(C)c1 22384614 LCCQSTPBYVOSCZ-UHFFFAOYSA-N 441.018 3.940 0 40 IHAB COc1ccc(CN(C)S(=O)(=O)c2ccc(Br)cc2Cl)c(OC)c1 22458484 RWCSSEOWODILQV-UHFFFAOYSA-N 434.739 3.940 0 40 IHAB O=C(CCCSc1nc2ccccc2[nH]1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 23864671 WWHRALHJZGQZEK-UHFFFAOYSA-N 436.581 3.715 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cccc(OC(F)(F)F)c2)s1 26312742 KCQLDNFBVNXDTG-CQSZACIVSA-N 434.461 3.747 0 40 IHAB O=C(CN1CCC(NC(=O)c2cccc3c4c([nH]c23)CCCC4)CC1)Nc1ccccc1 27604255 SPWDRJONWVIKBG-UHFFFAOYSA-N 430.552 3.880 0 40 IHAB Cc1noc(C)c1COc1ccccc1C(=O)N1CCC(c2nnc3ccccn23)CC1 28738360 SOFUOJUQYPWJCW-UHFFFAOYSA-N 431.496 3.933 0 40 IHAB CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 30850626 ZHTUZOGVBRXNDS-FQEVSTJZSA-N 425.510 3.987 0 40 IHAB O=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)c1ccc(Br)s1 32374107 AAVQZEYUPGZWKN-AWEZNQCLSA-N 429.767 3.967 0 40 IHAB COC(=O)c1ccc(/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)c3ccccc32)cc1 32811845 XHKFGFZFYNTSMY-CIAFOILYSA-N 441.439 3.925 0 40 IHAB Cc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3)nn2[C@@H]2CCS(=O)(=O)C2)cc1C 33325833 DMIWCAGBVUPYJL-LJQANCHMSA-N 427.501 3.918 0 40 IHAB CCOc1ccc([C@@H](C)NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc1 44950015 JYBWVEHZPJRRNT-QGZVFWFLSA-N 426.538 3.882 0 40 IHAB COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2nnc(CC(C)C)s2)C12CCCC2 49550838 XIDSAVUSFMINMI-LJQANCHMSA-N 442.585 3.874 0 40 IHAB O=C(NC(=S)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1)c1cccs1 57316727 VTZAPNQYLAOCMY-UHFFFAOYSA-N 437.871 3.795 0 40 IHAB COc1ccc(C(=O)NC(=S)Nc2c(F)cc(F)cc2Br)c(OC)c1 59294062 JMCWMZPUZZLKFH-UHFFFAOYSA-N 431.258 3.871 0 40 IHAB O=C(Nc1ccc2c(c1)OCO2)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 59401500 PUUCJOIHHFGAAG-UHFFFAOYSA-N 429.520 3.985 0 40 IHAB C[C@@H](Oc1ccc(C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)cn1)c1ccccc1 65538133 OAMPNPUDBVEKFK-LJQANCHMSA-N 445.519 3.875 0 40 IHAB COc1ccccc1Cn1c(=O)c2sccc2n(CC(=O)Nc2cc(C)ccc2C)c1=O 67205536 PWWAQSRUBVFBEP-UHFFFAOYSA-N 449.532 3.537 0 40 IHAB O=C(Cn1ncn2nc(-c3cccc4ccccc34)cc2c1=O)NCCC1=CCCCC1 67208406 JEYRXCDPGMBUNG-UHFFFAOYSA-N 427.508 3.718 0 40 IHAB CCOc1ccccc1NC(=O)Cn1c(=O)cc(-c2nc(C3CC3)no2)c2ccccc21 67317877 CJALKDDDMSFWIA-UHFFFAOYSA-N 430.464 3.966 0 40 IHAB CN(C)C(=O)c1cc([C@H]2CN(C(=O)CCc3ccc(F)cc3)CCO2)nc2ccccc12 72352695 FIAVVEMFJQVNDU-HSZRJFAPSA-N 435.499 3.608 0 40 IHAB COc1ccc(-c2cc(N3CCN(C(=O)c4ccccc4Br)CC3)[nH]n2)cc1 98212506 NYBCEHNTBIVBQV-UHFFFAOYSA-N 441.329 3.810 0 40 IHAB COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3cccs3)no2)c(Cl)c1Cl 104571041 PZMMXUDBNCNWLI-UHFFFAOYSA-N 434.326 3.934 0 40 IHAB CC[C@H](C(=O)NCc1ccc(OC)cc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 220685445 FCCMEKWHDWDAIS-QGZVFWFLSA-N 445.368 3.863 0 40 IHAB CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1 222599330 UDGFXDQBNUVGHQ-UHFFFAOYSA-N 436.946 3.897 0 40 IHAB CCC1(CC)C[C@@H](NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)c2ccccc2O1 223615574 PZULIHVNMUJGSA-HXUWFJFHSA-N 430.570 3.647 0 40 IHAB C[C@H](COc1ccccc1)NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 223964681 JPCBMYCTOUBDSX-MRXNPFEDSA-N 428.485 3.824 0 40 IHAB Cc1ccc(C)c(OCCNC(=O)[C@H](C)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)c1 224034347 WLEKMLQSXBAVBB-KRWDZBQOSA-N 438.977 3.615 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCCOCc1ccccc1)c1cccc2ccccc12 224683081 ZCOIEPQRRYGAFU-UHFFFAOYSA-N 440.565 3.719 0 40 IHAB CCOc1cccc(NC(=O)CCc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)c1 224802855 KELYLBODBXPQGR-UHFFFAOYSA-N 446.569 3.840 0 40 IHAB C[C@H](C(=O)NC(C)(C)Cc1ccccc1)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 225119405 DWACAXJMHNRBOA-OAHLLOKOSA-N 442.503 3.997 0 40 IHAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CCc1ccc2c(c1)OCO2 225386522 KJTCOIJPDWLHTG-OAQYLSRUSA-N 440.540 3.690 0 40 IHAB CCc1cc2c(=O)c(-c3nc(C)cs3)coc2cc1O[C@@H](C)C(=O)NCCCC(=O)O 256027769 ALRKVOINRHEHPI-ZDUSSCGKSA-N 444.509 3.536 0 40 IHAB CNC(=O)[C@@]1(c2ccccn2)CCCN(C(=O)C(C)(c2ccccc2)c2ccccc2)C1 257243462 IHBNRADTNVJSPA-MHZLTWQESA-N 427.548 3.694 0 40 IHAB Cc1nc([C@@H]2CCN(C(=O)CC(C)(C)C)C2)nc(C)c1CC(=O)NCc1ccc(F)cc1 257332382 XXCBSYKOIWJOKZ-LJQANCHMSA-N 440.563 3.844 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1)N1CCCCCC1 408589793 FODQRPHUWFFAFT-UHFFFAOYSA-N 442.585 3.605 0 40 IHAB O=C(NC1(c2ccc(Br)cc2)CCC1)[C@@H]1CCS(=O)(=O)c2ccccc21 560043974 ZYZGNCHMLOXLBT-QGZVFWFLSA-N 434.355 3.906 0 40 IHAB Cc1cnn(CCCOc2ccc(CN3C[C@H](O)[C@@H](Oc4ccc(C)c(C)c4)C3)cc2)c1 585270618 AGGVVFBJTIDWTL-UIOOFZCWSA-N 435.568 3.902 0 40 IHAB COc1ccccc1CC(=O)N1CCOCCOc2ccccc2Oc2ncccc2C1 643573742 LSHXMJNHFXWUOW-UHFFFAOYSA-N 434.492 3.863 0 40 IHAB Cc1cnn(C)c1S(=O)(=O)N(C)[C@H](c1ccccc1)c1ccccc1Br 1665316448 SHGNLJPMYRLBJY-GOSISDBHSA-N 434.359 3.901 0 40 IHAB CC(=O)O[C@H]1C[C@]2(C)[C@H](C(C)=O)CC[C@@H]2[C@@H]2CC[C@H]3CC4(CC(=O)[C@]3(C)[C@@H]12)OCCO4 1857622321 RUQBPCMPFRJFIH-RYEQWQIGSA-N 432.557 3.698 0 40 IHAB CC(C)(C)OC(=O)NCCCCc1nc(N2CCc3ccccc3CC2)ncc1C(=O)O 2037873260 YXNRSKZUKRPMRF-UHFFFAOYSA-N 440.544 3.627 0 40 IHAB COc1ccccc1NC(=S)N(CCN(C)C)Cc1cc2cc(C)c(C)cc2[nH]c1=O 880671 XICRYWVHSLURCP-UHFFFAOYSA-N 438.597 3.914 0 40 IHAB COc1ccc(NC(=O)[C@H](C)n2cnc3sc(C(=O)OC(C)C)c(C)c3c2=O)cc1 1981031 NMRDGWNAGXAMKC-ZDUSSCGKSA-N 429.498 3.540 0 40 IHAB CCCn1c(SCC(=O)NCCc2ccccc2)nc2sc3c(c2c1=O)CCC3 2632351 XGHLAAOTUDPKRL-UHFFFAOYSA-N 427.595 3.808 0 40 IHAB O=C(COC(=O)c1c2c(nc3ccccc13)CCCCC2)NCc1ccc2c(c1)OCO2 2657425 GEMUQRGRXILOHI-UHFFFAOYSA-N 432.476 3.706 0 40 IHAB Cc1occc1-c1nnc(SCn2nnc3ccccc3c2=O)n1Cc1ccccc1 3536105 ZRHRLNQEHYADER-UHFFFAOYSA-N 430.493 3.750 0 40 IHAB CC(=O)OCC(=O)[C@@]1(OC(C)=O)CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@@]21C 4027459 BNPNBAWUHPQBIR-BRFDOSINSA-N 426.509 3.649 0 40 IHAB biogenic C=C1c2cc3c(cc2CCN1C(=O)/C=C/c1cc(OC)c(OC)c(OC)c1)OCCCO3 8791773 UUXJULZVCDJTQY-VOTSOKGWSA-N 437.492 3.943 0 40 IHAB biogenic COc1ccc(C(=O)Nc2ccc(C(C)=O)cc2)cc1S(=O)(=O)N1CCCCCC1 8988569 TXVRSRWXHBTIFD-UHFFFAOYSA-N 430.526 3.715 0 40 IHAB CCc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3cccc(Cl)c3)c(=O)n2C)cc1 9015209 MODQSXZQKNTGLP-UHFFFAOYSA-N 449.942 3.703 0 40 IHAB O=C(NCC1(c2ccccc2)CC1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 9058088 BXWKEHRSVWPMRH-UHFFFAOYSA-N 432.973 3.976 0 40 IHAB CCOc1ccccc1NC(=O)CSc1nnc(-c2cnccn2)n1-c1ccccc1 9242815 LMGUVHVDPRJSKE-UHFFFAOYSA-N 432.509 3.854 0 40 IHAB Cc1nn(-c2ccc(C(=O)OCC(=O)NC(=O)Nc3ccccc3F)cc2)c(C)c1Cl 9248602 ZIAPGWCNLXIUQA-UHFFFAOYSA-N 444.850 3.787 0 40 IHAB COc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)Nc2ccc3ccccc3n2)cc1 9322853 ODGAYOCETRGJGH-HXUWFJFHSA-N 427.526 3.575 0 40 IHAB CCCCn1c(CSc2ccc(NC(C)=O)cc2)nc2cc(S(N)(=O)=O)ccc21 9378163 IDTATFAKJMODKH-UHFFFAOYSA-N 432.571 3.735 0 40 IHAB CCn1c(SCC(=O)Nc2ccc(C(=O)OC)cc2)nnc1-c1c[nH]c2ccccc12 9382302 YAJOLTZCEKBGKY-UHFFFAOYSA-N 435.509 3.964 0 40 IHAB COc1ccc(-n2c(SCc3cc(=O)n4ccccc4n3)nc3ccsc3c2=O)cc1 9474643 ARUHNAGDRFQIPO-UHFFFAOYSA-N 448.529 3.756 0 40 IHAB Cc1ccc(CN(C)C(=O)CN2C(=O)N[C@@](c3ccccc3)(c3ccc(C)c(C)c3)C2=O)o1 9501743 LVYBYNFVCQTDQD-SANMLTNESA-N 445.519 3.659 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C1(c2ccccc2)CCC1 9577236 FZTDAVNSBORCES-UHFFFAOYSA-N 428.554 3.930 0 40 IHAB CC(C)[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(Cl)cc1 9633165 VYTDLJRQSLYKHR-HXUWFJFHSA-N 436.961 3.739 0 40 IHAB C[C@@H](NCC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl)c1ccco1 9738897 FTGRLVWKMSTDJW-OAHLLOKOSA-N 439.965 3.787 0 40 IHAB Cc1ccc(CSCCNC(=O)[C@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1 10367434 STHDZHFPFTVUCT-IBGZPJMESA-N 434.627 3.816 0 40 IHAB CCOc1ccc(N(CC(=O)N2CCC[C@H](C)C2)S(=O)(=O)c2ccc(C)cc2)cc1 10541257 OCHBJNQLVYFNKT-IBGZPJMESA-N 430.570 3.848 0 40 IHAB O=C(CSc1nnc(C2CC2)n1Cc1ccco1)Nc1cc2c(cc1Cl)OCCO2 10765293 ZJTJMICMORIDBV-UHFFFAOYSA-N 446.916 3.952 0 40 IHAB O=C(CSc1nnnn1Cc1ccco1)N[C@@H](c1ccc(F)cc1)c1cccs1 11313144 RPCGQFBKIVGBTJ-SFHVURJKSA-N 429.502 3.513 0 40 IHAB CCn1/c(=N\C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)sc2cc(C)ccc21 11726355 GGCDIVIEUAOYBU-GHVJWSGMSA-N 443.594 3.947 0 40 IHAB Cc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)c2ccccc2C(F)(F)F)n1 12006313 BCJNPWKDUMVZJH-UHFFFAOYSA-N 429.358 3.795 0 40 IHAB O=C(Cn1c(=O)n(-c2ccc(F)cc2)c(=O)c2oc3ccccc3c21)Nc1ccccc1F 12140763 HZOFLIUSAWXPHE-UHFFFAOYSA-N 447.397 3.816 0 40 IHAB COc1ccc(-c2noc(CN(C)C(=O)COc3ccc4ccccc4c3)n2)cc1OC 12654585 YSAMFQBLDXOQOU-UHFFFAOYSA-N 433.464 3.944 0 40 IHAB Cc1c(-c2ccccc2)oc2c(C(=O)N3CCN(C(=O)N4CCCC4)CC3)cccc2c1=O 12752091 IDRCBGNWOSYCDN-UHFFFAOYSA-N 445.519 3.742 0 40 IHAB Cc1noc(C)c1COc1ccccc1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 13148230 YUVNICMSOVVZQL-UHFFFAOYSA-N 449.507 3.557 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 13633294 RGLIISJNKRCPLO-UHFFFAOYSA-N 430.448 3.753 0 40 IHAB O=C(Nc1ccc(Br)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 14019308 UKNXIJDGHWSKQK-CYBMUJFWSA-N 441.322 3.628 0 40 IHAB CC(=O)N[C@@H](C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1)C(C)C 15705040 UQVHAUSXEQAKRN-LJQANCHMSA-N 437.949 3.548 0 40 IHAB COc1ccc(CCC(=O)NC[C@@H](c2ccco2)S(=O)(=O)c2ccc(OC)cc2)cc1 15781116 FBVCYLQBURKELT-QFIPXVFZSA-N 443.521 3.561 0 40 IHAB COc1ccc([C@H](NC(=O)CCc2c(C)c3ccc(C)cc3oc2=O)c2nccn2C)cc1 16476742 IQEDPWASUCASGV-DEOSSOPVSA-N 445.519 3.990 0 40 IHAB Cc1ccc(-n2ncc3c(O)nc(-n4nc(C)cc4NC(=O)Cc4ccccc4)nc32)cc1 16847734 CIVHLHOXOLROQL-UHFFFAOYSA-N 439.479 3.505 0 40 IHAB CCC(CC)n1c(COc2ccccc2Cl)nnc1SCc1nc(N)nc(N)n1 17663666 DKISCJRJTQMIBK-UHFFFAOYSA-N 434.957 3.513 0 40 IHAB CCCN1CCN(C(=O)c2ccn(C)n2)C[C@@H](Cc2ccccc2-c2ccccc2)C1=O 19503207 HCIHUXIXCLISNR-JOCHJYFZSA-N 430.552 3.640 0 40 IHAB COc1ccc(OC)c(C(=O)N2CCCC[C@H]2c2nc(-c3ccsc3)cc(=O)[nH]2)c1 19551062 ISMBSMWBKQHXDQ-SFHVURJKSA-N 425.510 3.883 0 40 IHAB Cc1nc2c(nc(SCc3nc(-c4cccc(Br)c4)oc3C)n2C)c(=O)[nH]1 19625879 LKWNDDFUDMDWAC-UHFFFAOYSA-N 446.330 3.983 0 40 IHAB biogenic,in-vitro O=C(Nc1nccs1)c1cc([C@H]2CCN(C(=O)c3ccccn3)C2)nc2ccccc12 19754386 XKGFRYHMHDAGOT-HNNXBMFYSA-N 429.505 3.968 0 40 IHAB CC(C)(C)c1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCN2CCOCC2)cc1 20307932 OANXQTLIQIHFDQ-HSZRJFAPSA-N 446.547 3.968 0 40 IHAB COC(=O)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(Cl)c1Cl)C(C)C 20726665 ZUCJBLACTHVRBP-DOTOQJQBSA-N 425.316 3.571 0 40 IHAB Cc1cc(C)c(N(CC(=O)N2CCC(Cc3ccccc3)CC2)S(C)(=O)=O)c(C)c1 22388360 PIENVNGPXHRMSD-UHFFFAOYSA-N 428.598 3.859 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2cccnc2Oc2ccccc2)c1 23074558 RZGHAYYCDJBIAU-UHFFFAOYSA-N 441.509 3.862 0 40 IHAB COc1ccc(C(=O)CSc2nnc(N3CCN(c4ccccc4)CC3)s2)cc1 23140139 MKIOPVHMDXGNSM-UHFFFAOYSA-N 426.567 3.848 0 40 IHAB Cc1ccc([C@H](CN2CCOCC2)NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1 23881563 BWDWKWZLGONWEO-QFIPXVFZSA-N 433.508 3.644 0 40 IHAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(Cc2cccc3cccnc23)CC1 24258539 GEUUYUAOOFQBON-UHFFFAOYSA-N 435.471 3.760 0 40 IHAB CCOC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cccc3cccnc23)CC1 24715926 RDOTXWLEDVOTIA-QFIPXVFZSA-N 437.927 3.950 0 40 IHAB Cc1ccc(C(=O)O)cc1S(=O)(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2 26543303 CHADMYWQGIELJN-UHFFFAOYSA-N 445.518 3.921 0 40 IHAB O=C(Cn1c(-c2cccs2)n[nH]c1=S)/N=c1\sccn1Cc1ccccc1F 31089704 MDLQWBXIMQIWPI-ZZEZOPTASA-N 431.543 3.847 0 40 IHAB O=C(c1ccc(=O)n(CCOc2ccccc2)n1)N1CCC[C@H]1c1nc2ccccc2s1 31391354 GMUOAYGKDNJGQJ-FQEVSTJZSA-N 446.532 3.909 0 40 IHAB CCc1ccc([C@@H](CNC(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)N(C)C)cc1 32734042 GJAROOXLKXSQPM-FYYLOGMGSA-N 425.548 3.659 0 40 IHAB C[C@@H](NC(=O)OCc1ccccc1)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 32781165 VRCGAKBRPDJZSQ-QGZVFWFLSA-N 429.948 3.736 0 40 IHAB COCCn1c(SCC(=O)Nc2ccc(-c3ccccc3)cc2)nc2ncccc2c1=O 32891519 FACJCHWSPBZDEC-UHFFFAOYSA-N 446.532 3.836 0 40 IHAB CN1CCN(C(=O)Cc2csc(COc3ccc(F)cc3)n2)[C@H](c2ccccc2)C1 32893039 XELPHELZFINZME-NRFANRHFSA-N 425.529 3.919 0 40 IHAB COc1ccc2cc([C@H]3c4cc(OC)c(OC)cc4CCN3C(=O)C(C)C)c(=O)[nH]c2c1 35313749 OLFLXJIASNWDTG-HSZRJFAPSA-N 436.508 3.684 0 40 IHAB COc1ccc(OC)c(NC(=O)c2c(C)oc3ncn(Cc4ccc(F)cc4)c(=O)c23)c1 35672016 GJRFZDKSBZHHCE-UHFFFAOYSA-N 437.427 3.755 0 40 IHAB C[C@H](NS(=O)(=O)c1ccccc1)[C@H](c1cccs1)N1CCN(c2ccccc2)CC1 36370266 PJYXONGMKTZDLZ-WMZHIEFXSA-N 441.622 3.978 0 40 IHAB O=C1CC[C@@]2(C(=O)Nc3ccc(-n4cnc5ccccc54)nc3)Sc3ccccc3N12 36390870 IJIMXYOZRFMCJM-QHCPKHFHSA-N 427.489 3.988 0 40 IHAB O=C(NC(=S)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1)c1ccc(F)cc1 57316721 CHWAJLKLQUDBMF-UHFFFAOYSA-N 449.832 3.872 0 40 IHAB Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(Cl)cc3)nc2N)cc1 57510494 CNIKBJVHIATISU-UHFFFAOYSA-N 448.957 3.584 0 40 IHAB CN(C)C(=O)CN(C)[C@@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)c1ccccc1 72309052 FYWPBELOLNMAFS-HXUWFJFHSA-N 426.517 3.649 0 40 IHAB Cn1ccc(C(=O)N2CCC(c3cc(C(F)(F)F)n4nc(C(C)(C)C)cc4n3)CC2)n1 72341078 CYTIJKCAWVHGPP-UHFFFAOYSA-N 434.466 3.799 0 40 IHAB Cc1cccnc1Nc1ccc([C@@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)nc1 72353442 ALVSISIYFHVTLF-QGZVFWFLSA-N 427.530 3.702 0 40 IHAB Cc1n[nH]cc1C(=O)N1CCC[C@H](c2nc(C)c3c(n2)N(CCc2ccccc2)CCC3)C1 72380202 KTBCYZHCYSJIPQ-NRFANRHFSA-N 444.583 3.832 0 40 IHAB CCCSc1ncc(CN2CCC[C@@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)cn1 72394316 ZZFODCUCCNNASI-OAHLLOKOSA-N 441.022 3.810 0 40 IHAB CC[C@H](Oc1ccccc1F)C(=O)N1CCC([C@@H]2C[C@H](C(F)F)n3ncnc3N2)CC1 72395645 TYVFEGKOYCZNCA-BBWFWOEESA-N 437.466 3.504 0 40 IHAB CN(C)c1cc(C(F)(F)F)nc(N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)n1 78903432 QGINRLRRAWNGQX-ZDUSSCGKSA-N 445.392 3.770 0 40 IHAB CCCS(=O)(=O)NC1CCN(c2nc(C(F)(F)F)nc3sc(C)c(C)c23)CC1 95949010 LKUBJPNZPZOZFG-UHFFFAOYSA-N 436.525 3.625 0 40 IHAB COc1cccc(C(=O)NC[C@H]2CC[C@H](c3ccnc4nc(C(F)(F)F)nn43)CC2)c1 100158889 BQLQAQNHVMUOJM-OKILXGFUSA-N 433.434 3.856 0 40 IHAB Cc1c(Cl)cccc1NC(=O)[C@@H](C)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C 108990360 ASVSFFBKFRLWFC-GDBMZVCRSA-N 442.947 3.671 0 40 IHAB Cc1cc(Br)ccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccccc2C)C1 166274061 FIFASUWBWJBTOS-HNNXBMFYSA-N 445.313 3.601 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2ccccc2F)S(C)(=O)=O)cc1 220310556 ONSOQCQYKJETTD-OAHLLOKOSA-N 436.505 3.576 0 40 IHAB C[C@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)N(c1ccccc1F)S(C)(=O)=O 220316264 ZAAUMSFHWSFWLN-MRXNPFEDSA-N 440.496 3.850 0 40 IHAB CCCSc1nnc(NC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)s1 222708238 LABXYHVJYSBLGU-UHFFFAOYSA-N 442.632 3.742 0 40 IHAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1F 222886374 HGLVGKZESZPNNS-DEOSSOPVSA-N 434.511 3.763 0 40 IHAB Cc1cc(C)cc(N([C@@H](C)C(=O)NCCOc2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c1 223895163 KKVQYOTUXYZYRJ-IBGZPJMESA-N 446.613 3.951 0 40 IHAB COc1cccc(OC)c1C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2F)cc1 224538157 RMZPCISZBUTNDE-UHFFFAOYSA-N 430.457 3.896 0 40 IHAB COc1cccc(N(CC(=O)NCCSC2CCCC2)S(=O)(=O)c2ccccc2)c1 224913278 FYQUNFHFYAGBSJ-UHFFFAOYSA-N 448.610 3.683 0 40 IHAB CCCOc1ccc(N(CC(=O)NCc2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 224944073 XGRRZMCFTRAQSO-UHFFFAOYSA-N 444.475 3.577 0 40 IHAB CCCn1c(=O)sc2cc(S(=O)(=O)Nc3ccc4c(c3)sc(=O)n4CC)ccc21 225128386 DHFYGMCZWSSHFH-UHFFFAOYSA-N 449.579 3.670 0 40 IHAB Cc1ccc([C@H](NC(=O)CN2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)c2cccs2)cc1 245225231 PXZFBPRVZMVVDZ-JBAWTIAASA-N 441.641 3.836 0 40 IHAB CC1=CC(C)(C)N(C(=O)CN2CCC[C@]2(C(N)=O)c2cccc(C)n2)c2cc(C)ccc21 257260207 LBUDMYXHXYTDKJ-AREMUKBSSA-N 432.568 3.704 0 40 IHAB CC(=O)N[C@H]1CC[C@](CNC(=O)c2ccc(F)c(Cl)c2)(c2ccccc2)CC[C@@H]1O 257282891 OVSPQBBIWJPNMW-FUDKSRODSA-N 432.923 3.587 0 40 IHAB C[C@@H](CCc1ccccc1)NC(=O)COc1ccc(S(=O)(=O)N2CCCCCC2)cc1 408602654 IPGRYOKSLPLKAI-FQEVSTJZSA-N 444.597 3.768 0 40 IHAB CS(=O)(=O)N(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)Cc1ccc(F)cc1 408626595 ZTKVBJJEEDIMIH-UHFFFAOYSA-N 438.830 3.898 0 40 IHAB Cc1cccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccccc3C)[C@H]2c2ccc(Cl)cc2)c1 409061915 JYIPLLSJUOQTDN-WAUWHALJSA-O 432.931 3.973 0 40 IHAB CN1[C@H]2CC[C@H]1CC(N1CCN(Cc3nc(O)c4c(-c5ccccc5)csc4n3)CC1)C2 533865235 KFMOUOMDLWGFNH-OALUTQOASA-N 449.624 3.807 0 40 IHAB O=C(c1ccccc1CN1CCOCC1)N1CCC[C@H](Cc2ccc3cc[nH]c3n2)CC1 585261885 KEVWIFLMOSPABD-FQEVSTJZSA-N 432.568 3.880 0 40 IHAB CN(C)C(=O)C[C@@H]1CN(C(=O)CCCc2ccc3nc(O)[nH]c3c2)c2ccc(Cl)cc21 607517922 UDVFADYELAVARK-OAHLLOKOSA-N 440.931 3.853 0 40 IHAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)c(C)c3)cc2)no1 806702 JTMCMPVEOCZBRC-UHFFFAOYSA-N 435.889 3.763 0 40 IHAB CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc2c(c1)OCO2 912400 OYZGWUNDZIDLGF-UHFFFAOYSA-N 426.498 3.645 0 40 IHAB Cc1cc2cc(CN(C[C@@H]3CCCO3)S(=O)(=O)c3ccc(F)cc3)c(=O)[nH]c2cc1C 923879 VKWRAHFCDYKQIY-FQEVSTJZSA-N 444.528 3.654 0 40 IHAB Cn1c(CCc2nc3ccccc3[nH]2)nnc1SCC(=O)Nc1ccc(Cl)cc1 929946 BQFJIHJXIKTPIJ-UHFFFAOYSA-N 426.933 3.861 0 40 IHAB C[C@H]1Cc2ccccc2N1C(=O)CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O 2647593 MJKMKJDXOUYAFS-PPHZAIPVSA-N 439.515 3.654 0 40 IHAB O=C(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)Nc1cccc(Cl)c1Cl 3301375 IRUSMDONORUTNX-MRXNPFEDSA-N 431.279 3.576 0 40 IHAB CCOc1ccc(-n2c(SCC(=O)NC(=O)c3cccn3C)nc3ccccc32)cc1 3323841 MFLJPLTZMZTLNA-UHFFFAOYSA-N 434.521 3.811 0 40 IHAB Cc1ccc(C)c(-n2nnnc2SCC(=O)c2cc(C)n(C[C@H]3CCCO3)c2C)c1 3348450 ZYPOKFFSNRIWBE-GOSISDBHSA-N 425.558 3.851 0 40 IHAB COc1ccc(C(=O)Nc2nccs2)cc1S(=O)(=O)N1CCCc2ccccc21 3375562 IRTZVBICMVXFID-UHFFFAOYSA-N 429.523 3.546 0 40 IHAB COC[C@H](C)n1c(SCC(=O)Nc2cc(Cl)ccc2OC)nc2ccccc2c1=O 3403474 MBWYCTGKBRNFJE-ZDUSSCGKSA-N 447.944 3.997 0 40 IHAB O=C(CSc1ncc(C(F)(F)F)cc1Cl)NC(=O)Nc1ccc2c(c1)OCCO2 3438646 MTMNZOCWJHEPFV-UHFFFAOYSA-N 447.822 3.965 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCc1c(Cl)cccc1Cl 3448686 AFKOYLFCIASHIF-UHFFFAOYSA-N 444.336 3.680 0 40 IHAB COC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(C)cc3)c2)c1 3559255 VZDBPHVVSJASEB-UHFFFAOYSA-N 438.505 3.859 0 40 IHAB Cc1cc(C)cc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)O)cc2)c1 6141467 BADFKMASZGUKLB-PMACEKPBSA-N 430.526 3.934 0 40 IHAB COCCn1c(SCC(=O)c2ccc(OC)cc2OC)nnc1-c1ccc(OC)cc1 6905488 MLGVDYZYLXIKOB-UHFFFAOYSA-N 443.525 3.592 0 40 IHAB COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)Nc1cc(OC)cc(OC)c1 8604841 YQVGDNJCZXASNI-UHFFFAOYSA-N 425.459 3.645 0 40 IHAB O=C(NCCCO)[C@@H]1CCCN(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)C1 8759066 LELVWBSEPJICRH-QGZVFWFLSA-N 439.943 3.564 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@H](C(C)C)N[C@]23C(=O)Nc2c(C)cc(C)cc23)cc1 8876806 BVTKSOLSMVGMBC-YPCDYVTLSA-N 449.551 3.900 0 40 IHAB biogenic COc1cccc2cc(-c3nnc(SCC(=O)Nc4nnc(C(C)C)s4)n3C)oc12 8884764 DCRSNNKJIMHDME-UHFFFAOYSA-N 444.542 3.943 0 40 IHAB C[C@@H](NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)c1ccc(-c2ccccc2)cc1 8890617 BDMKSAKDDQRWGD-DNOBIOAJSA-N 439.515 3.924 0 40 IHAB CCOc1ccc([C@@H]2Nn3c(nnc3-c3ccccc3)S[C@H]2C(=O)NCC(C)C)cc1 9238462 GKCUDAWWWYSRHN-VQTJNVASSA-N 437.569 3.875 0 40 IHAB C[C@@H]1CCC[C@@H](NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccncc2)[C@@H]1C 9464373 PKJNQZKOIJLFOI-MBOZVWFJSA-N 436.581 3.873 0 40 IHAB CCc1ccc(-c2csc(NC(=O)c3cccc(S(=O)(=O)N(C)OC)c3)n2)cc1 9588103 SNTJZEBAGKQFAA-UHFFFAOYSA-N 431.539 3.807 0 40 IHAB Cc1ccc(SCCC(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 10210632 KKIGNUVAOIHDFT-UHFFFAOYSA-N 432.567 3.698 0 40 IHAB Cc1c(NS(C)(=O)=O)cccc1C(=O)Nc1ccccc1C(=O)NC1CCCCC1 10314957 KZGCRFISDMZZGO-UHFFFAOYSA-N 429.542 3.681 0 40 IHAB COc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2cccnc2)n2nnnc2N3)cc1OC 10336986 XQLRUPDGLZVURF-GOTSBHOMSA-N 440.463 3.645 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1 10544561 QHQUDJNFWWHEBM-SFHVURJKSA-N 440.569 3.613 0 40 IHAB O=C(CNC(=O)c1ccccc1F)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 10908648 DUVMWSBCCUCUGS-UHFFFAOYSA-N 446.457 3.864 0 40 IHAB O=C(CCc1nc(-c2ccc(F)cc2)no1)NCc1ccc(NC(=O)c2ccco2)cc1 11146467 FZXVMSKUETZGNI-UHFFFAOYSA-N 434.427 3.970 0 40 IHAB C[C@H](SCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)C(=O)N1CCO[C@H](C)C1 11497287 AORWVYUTWCGTFF-KGLIPLIRSA-N 429.567 3.521 0 40 IHAB O=C(NCCc1nnc2ccccn12)c1cn(Cc2ccccc2)nc1-c1cccs1 11545997 DSABHSJEQNGURI-UHFFFAOYSA-N 428.521 3.675 0 40 IHAB Cc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)CSCc2ccccc2)n1 11854438 ASLSZFNZCCEWJV-UHFFFAOYSA-N 437.550 3.864 0 40 IHAB COc1ccc(-c2cc3nc([C@@H](C)NC(=O)C4(c5ccc(F)cc5)CC4)nn3cn2)cc1 12085132 VEGKYGGHPQHRLO-OAHLLOKOSA-N 431.471 3.848 0 40 IHAB COCCOc1ccc(CN2CCC[C@@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)cc1 12182126 ZCSLPULBGDLFEU-NZSAHSFTSA-N 439.482 3.503 0 40 IHAB O=C(Nc1ccccc1N1CCCC1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 12521681 QMGGGBIQHYZBQH-UHFFFAOYSA-N 447.988 3.980 0 40 IHAB CC(C)Cc1noc(CSc2nc3sc4c(c3c(=O)n2C[C@H]2CCCO2)CCC4)n1 12816155 KVGATKBMIIUZMC-CYBMUJFWSA-N 446.598 4.000 0 40 IHAB CCc1ccc([C@H](C)NC(=O)COC(=O)c2ccccc2SCC(=O)NC(C)C)cc1 13056902 VSAMEDXCFFGLPZ-KRWDZBQOSA-N 442.581 3.900 0 40 IHAB CC1CCN(Cn2nc(-c3cccc(S(=O)(=O)N4CCCCC4)c3)oc2=S)CC1 13072667 VADZLPANOTXUFH-UHFFFAOYSA-N 436.603 3.737 0 40 IHAB COc1ccc(CNC(=O)[C@@H](OC(=O)c2cc3sccc3n2C)c2ccccn2)cc1 13561531 OURALMCFFBSOIG-NRFANRHFSA-N 435.505 3.858 0 40 IHAB COc1ccc(CCn2c3c(c(=O)[nH]c2=S)CN(Cc2ccccc2)CN3)cc1OC 13576897 MPGYLBUVNALILU-UHFFFAOYSA-N 438.553 3.551 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1sccc1-n1cccc1 14168711 IPOHTZASELONJF-UHFFFAOYSA-N 445.566 3.974 0 40 IHAB CCC[C@H](C)NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 14411065 JGDIDZJRSRYUIQ-SFHVURJKSA-N 448.585 3.821 0 40 IHAB Cc1[nH]c(SCC(=O)NCC2(N3CCOCC3)CCCCC2)nc1Cc1ccccc1 14774690 HKCVKKDSCPSEHQ-UHFFFAOYSA-N 442.629 3.552 0 40 IHAB COc1ccccc1NC(=O)Nc1nc(CC(=O)Nc2ccc(OC)c(OC)c2)cs1 16047531 PAOQOQFLHKKZGZ-UHFFFAOYSA-N 442.497 3.994 0 40 IHAB Clc1ccc([C@@H](c2nnnn2C2CCCC2)N2CCN(Cc3ccncc3)CC2)cc1 19332615 SONAJNQDRUOQHK-QFIPXVFZSA-N 437.979 3.744 0 40 IHAB O=C(c1ccc(F)cc1)N1CCc2nc([C@@H]3CCCN3Cc3cccs3)[nH]c(=O)c2C1 19343460 LRMOPCKHYDECFO-FQEVSTJZSA-N 438.528 3.506 0 40 IHAB Cc1cc(C(F)(F)F)c2c(=O)[nH]c([C@@H]3CCN(C(=O)c4cc(C(C)C)no4)C3)cc2n1 19568528 FGAZEOABYSMIEP-GFCCVEGCSA-N 434.418 3.991 0 40 IHAB Cc1noc(C)c1CCC(=O)N1CCCC[C@@H]1c1nc(N(C)C)ncc1-c1ccncc1 19580711 CYDQTKKXVRNJHQ-OAQYLSRUSA-N 434.544 3.896 0 40 IHAB Cc1cccc(CCN2C(=O)CCc3c(C)nc([C@H]4CCN(C(=O)C5CCC5)C4)nc32)c1 19704857 IOVHDCJBEJQWPV-NRFANRHFSA-N 432.568 3.731 0 40 IHAB O=C(O)[C@@H](c1c(-c2ccccc2)[nH]c2ccccc12)N1CCCN(c2ncccn2)CC1 20733174 GDIOIESIJHLVFH-HSZRJFAPSA-N 427.508 3.963 0 40 IHAB CC(C)c1ccc(OCC(=O)NC(=S)Nc2ccc(CN3CCOCC3)cc2)cc1 22485806 LRSMKTONPNHYAH-UHFFFAOYSA-N 427.570 3.534 0 40 IHAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)OCC(=O)Nc1cccc2nsnc12 22870974 RJSLVSSUUAQGFG-UHFFFAOYSA-N 441.900 3.693 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc2nc(CSc3nnc(C4CC4)n3C3CC3)[nH]c2c1 26226701 JOAWFLYEVZIAOE-UHFFFAOYSA-N 446.602 3.690 0 40 IHAB COc1cc(Br)c(CC(=O)NC2(c3noc(C)n3)CCCCC2)cc1OC 26491612 CLRBLRDJKJNTMW-UHFFFAOYSA-N 438.322 3.676 0 40 IHAB Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)N(C(C)C)C(C)C)cc1 28797102 IKFRUPXBQRKNQA-SFHVURJKSA-N 446.569 3.987 0 40 IHAB O=C1O[C@@H](c2ccccc2)Cc2cc(C(=O)N3CCN(c4ccc(O)cc4)CC3)ccc21 32820053 DTQVZUQAEFFGNZ-XMMPIXPASA-N 428.488 3.809 0 40 IHAB COC(=O)c1ccc(NC(=O)[C@H]2CC(O)=Nc3c(C)c(-c4ccc(OC)cc4)nn32)cc1 35684362 PNUKAVLOMLIZSA-GOSISDBHSA-N 434.452 3.825 0 40 IHAB O=C(CSc1nnc2c3cc(-c4ccc(F)cc4)nn3ccn12)NCCc1ccccc1 38486882 JPIRDXUVOALFIV-UHFFFAOYSA-N 446.511 3.634 0 40 IHAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 40148914 OFEMKNYSZSQUJI-HNNXBMFYSA-N 440.935 3.860 0 40 IHAB Cc1ccc([C@H](C)NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1C 44856434 GEKZLUCGDIIKBK-YWZLYKJASA-N 436.961 3.751 0 40 IHAB O=C(NCc1noc(-c2ccccc2)n1)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 58144712 LRLHHOKITZZVNU-KRWDZBQOSA-N 445.306 3.964 0 40 IHAB COc1ccccc1N1CCN(C(=O)c2cnc(Sc3nccn3C)c(Cl)c2)CC1 58250532 XWIHHVMFFUNMGI-UHFFFAOYSA-N 443.960 3.591 0 40 IHAB O=C(Cn1c(=O)cc(-c2nc(-c3ccncc3)no2)c2ccccc21)Nc1ccccc1F 67318119 ASGYPIGPTLALIN-UHFFFAOYSA-N 441.422 3.891 0 40 IHAB C[C@H]1CC[C@@H]2N(C1)C[C@@H]1[C@H](CC[C@H]3[C@@H]4C[C@H](O)[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4C[C@H]31)[C@]2(C)O 70691889 IUKLSMSEHKDIIP-QHGMWKTKSA-N 431.661 3.678 0 40 IHAB biogenic CCc1nc(=O)c2ccccc2n1C1=CCN(C(=O)c2ccc(CN3CCCCC3)o2)CC1 72348249 PFURGZHMDFLEGH-UHFFFAOYSA-N 446.551 3.925 0 40 IHAB CCOc1cc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)c(C)cc1OC 72393015 BTWZVQRFJOTQMK-LJQANCHMSA-N 434.540 3.927 0 40 IHAB Cc1cc(=O)c(C(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)nn1-c1ccccc1C(F)(F)F 84072132 UXYSPZDCFUFBNW-DOTOQJQBSA-N 431.389 3.985 0 40 IHAB Cc1cccc(N2C[C@H](C(=O)Oc3cccc(N4C(=O)[C@H]5CCCC[C@H]5C4=O)c3)CC2=O)c1 100398964 XXXPCPUOTCUUOK-YHYVQYDKSA-N 446.503 3.633 0 40 IHAB CCOc1ccc(Br)cc1/C=C1/SC(=O)N(CC(=O)N2CCCC2)C1=O 205912935 GTYWHHNGOZVYKM-XNTDXEJSSA-N 439.331 3.507 0 40 IHAB CCOC[C@]1(C(N)=S)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 218659397 SSTZKBZTJDEKRK-JENIJYKNSA-N 427.950 3.728 0 40 IHAB CN(CC(=O)NCCSCc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 219693005 FBEVKFZLJXSKEW-UHFFFAOYSA-N 447.409 3.664 0 40 IHAB O=C([C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(Cc2ccccc2)CC1 219749597 DPFDWJXIHKTJHY-QFIPXVFZSA-N 447.000 3.974 0 40 IHAB COC(=O)c1cn(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)c2ccccc12 222598588 ZTQVESVUIFBYAP-UHFFFAOYSA-N 446.912 3.554 0 40 IHAB COc1ccc(-c2cc(C(=O)Nc3cccc(CS(=O)(=O)NCC(C)C)c3)no2)cc1 223231204 FNFYTNXRDWYJBH-UHFFFAOYSA-N 443.525 3.678 0 40 IHAB CCCc1ccc(OCCNC(=O)CCCN(c2ccc(C)cc2)S(C)(=O)=O)cc1 224629652 HSMLMNCNIICRTF-UHFFFAOYSA-N 432.586 3.689 0 40 IHAB CCOC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(OC)c(C)c1 224640583 AIYSUQZTZAMMNW-UHFFFAOYSA-N 431.432 3.781 0 40 IHAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1cc(OC)cc(OC)c1 225480769 USRCMEIJVIYSKP-WZONZLPQSA-N 442.556 3.805 0 40 IHAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 225512337 DCMZJWFREQOORL-NQIIRXRSSA-N 442.581 3.814 0 40 IHAB CC1CCN(c2cc(N3CCCC[C@@H]3C)nc(NC(=S)NC[C@@H]3CCCO3)n2)CC1 225908072 GOOLMJVGLRPQTK-ROUUACIJSA-N 432.638 3.557 0 40 IHAB COc1cccc2c1OC(C)(C)[C@H]1CC3(CCN(C(=O)C4CCOCC4)CC3)CO[C@H]21 257216275 CTVBYMUUNPXMNM-PZJWPPBQSA-N 429.557 3.979 0 40 IHAB CCN1CCN(C(=O)c2cnccn2)[C@@H](Cc2cccc(-c3ccc(C)cc3C)c2)C1=O 257270907 MWDGNBAJWQUJKR-DEOSSOPVSA-N 428.536 3.676 0 40 IHAB CC[C@@H](Oc1ccccc1OC)C(=O)N1CCC(c2cncc(Nc3cnccn3)n2)CC1 257292564 QMCPNUIEFWQGNZ-LJQANCHMSA-N 448.527 3.582 0 40 IHAB C[C@]1(O)CCN(CC(=O)Nc2ccc(OC(F)F)cc2)C[C@@H]1Oc1cccc(Cl)c1 257311915 ULORHEHUSKJUOD-RXVVDRJESA-N 440.874 3.784 0 40 IHAB CC(=O)NCC(=O)NC[C@H]1CC[C@H](c2c(C(=O)NC(C)C)sc3ccccc32)CC1 257323666 WLHVFDBLMBBWFP-QAQDUYKDSA-N 429.586 3.566 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc4sncc4c3)C2)cc1 260753586 ZSNCZZTWDYZGCA-HNNXBMFYSA-N 445.566 3.734 0 40 IHAB Cc1cccc(CN2C[C@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccsc2)C3=O)c1 306137104 QLOMMCQCVOCDBE-ILBGXUMGSA-N 433.577 3.849 0 40 IHAB CC(C)n1nccc1[C@@H]1CN(Cc2cccnc2)C[C@]12CCCN(Cc1ccccn1)C2=O 306143534 YEUHTQSIYMHXNX-JYFHCDHNSA-N 444.583 3.662 0 40 IHAB NC(=O)[C@@H](Cc1ccccc1)Sc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F 543643684 NLSFRGUWPWXZHU-HXUWFJFHSA-N 437.471 3.853 0 40 IHAB O=C(c1cc(-c2ccccn2)nc2ccccc12)N1C[C@@H]2C[C@H](C1)CN1C(=O)CCC[C@H]21 604404777 RRLBNDVYKRUYHB-NXMSCROESA-N 426.520 3.770 0 40 IHAB biogenic O=C(CSc1nnc(COc2ccc(Br)cc2)o1)NC1CCCCC1 899706 AZCJFFPJJCOHJM-UHFFFAOYSA-N 426.336 3.952 0 40 IHAB CCOC(=O)c1sc2ncn(CC(=O)Nc3cccc(Cl)c3Cl)c(=O)c2c1C 1789824 DAGKIUNJILZBCA-UHFFFAOYSA-N 440.308 3.889 0 40 IHAB Cc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCCOC(C)C)CC(=O)N32)c1 2098070 DBXZDYKMJUYJPN-OZXSUGGESA-N 445.563 3.976 0 40 IHAB biogenic CN(C)S(=O)(=O)c1ccc2nc(NC(=O)COc3ccc4ccccc4c3)sc2c1 2694832 NFZGGSKRHABJNQ-UHFFFAOYSA-N 441.534 3.717 0 40 IHAB Cc1occc1-c1nnc(SCC(=O)N(CCc2ccccc2)Cc2ccccc2)n1N 3351794 RMFUYAQCHNSIJU-UHFFFAOYSA-N 447.564 3.924 0 40 IHAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)CNC(=O)c2sc3ccccc3c2Cl)c1C 3390538 UOJGYFJWJFFEHZ-UHFFFAOYSA-N 446.912 3.858 0 40 IHAB O=C(COc1ccc(Cl)cc1Br)Nc1ccc(N2CCOCC2)cc1 3510415 WMJFTOXKYKTYEB-UHFFFAOYSA-N 425.710 3.957 0 40 IHAB COc1ccc([C@H](O)c2cc(OC)c(OC)cc2NS(=O)(=O)c2ccc(C)cc2)cc1 6101795 MPQVPRSTYDTCGH-QHCPKHFHSA-N 443.521 3.903 0 40 IHAB C[C@H]1CCCC[C@]12NC(=O)N(Cc1nnc(-c3ccc(Br)s3)o1)C2=O 8734659 HSONPRXCZZXMOQ-FVMDXXJSSA-N 425.308 3.561 0 40 IHAB COc1ccccc1N(C[C@H](O)COc1c(C)cccc1C)S(=O)(=O)c1ccccc1 8754170 VODADBJXJKFFQM-FQEVSTJZSA-N 441.549 3.947 0 40 IHAB CCOc1ccc([C@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2CCO)cc1 8845379 PFLGFDUXKAYOSF-NRFANRHFSA-N 427.888 3.680 0 40 IHAB C[C@H](NC(=O)CSc1ncnc2c1cnn2-c1ccccc1)c1ccc2c(c1)OCO2 8895720 HUKPLFNYHBQETJ-AWEZNQCLSA-N 433.493 3.514 0 40 IHAB CCc1ccccc1Nc1nc(N)nc(CSc2nnc(Cc3cccs3)n2C)n1 8899743 QCFUAKIXYVCVPP-UHFFFAOYSA-N 438.586 3.833 0 40 IHAB COc1ccc([C@H](NS(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)c2ccccc2)cc1 8983207 OEGCOQMDAOBDFB-HSZRJFAPSA-N 440.521 3.730 0 40 IHAB CCOc1cc(/C=C2/SC(=O)N(CCOC)C2=O)cc(Br)c1OCC 9323714 WUYUSWFOAYUEDR-GXDHUFHOSA-N 430.320 3.929 0 40 IHAB COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)CN2C(=O)CCC2=O)cc1 9612996 XSRHFYRJOWGBIL-QHCPKHFHSA-N 441.487 3.675 0 40 IHAB CCOCCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 9696430 ZJVNXUTYBUNGAK-UHFFFAOYSA-N 447.538 3.612 0 40 IHAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 9713597 IYGLTNPQMYFYRT-UHFFFAOYSA-N 441.553 3.630 0 40 IHAB O=C(c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1)N1CCN(c2ccccc2)CC1 9714796 KGYSRIMPPOXXHN-UHFFFAOYSA-N 439.512 3.589 0 40 IHAB COc1ccc(-n2ccnc(SCC(=O)NCc3ccc(C)cc3)c2=O)cc1Cl 9761402 AQIPYCVEYGPOCN-UHFFFAOYSA-N 429.929 3.611 0 40 IHAB COc1ccc(NC(=O)CSc2nccn(-c3ccc(C)c(Cl)c3)c2=O)c(OC)c1 9761425 PZCXLBAGWWJYOE-UHFFFAOYSA-N 445.928 3.942 0 40 IHAB COc1cccc(NC(=O)CSc2nc3ncccc3c(=O)n2Cc2ccccc2)c1 9830277 LRQJQBZYLVZVCU-UHFFFAOYSA-N 432.505 3.579 0 40 IHAB O=C(CCc1nnc2n(CCc3ccccc3)c(=O)c3ccccc3n12)Nc1ccccc1 9831543 LGSJCPSOPICFBE-UHFFFAOYSA-N 437.503 3.858 0 40 IHAB O=C(C[C@@H]1C(=O)N[C@H]2CCCC[C@@H]2N1C(=O)c1cccs1)Nc1cccc(Cl)c1 9926946 KKQXCZFVLVJHQI-YESZJQIVSA-N 431.945 3.682 0 40 IHAB CCn1c(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)nnc1-c1cc2ccccc2o1 10675292 OPHDRNQOLKYMOF-UHFFFAOYSA-N 434.481 3.612 0 40 IHAB CCCn1ncc(CN2CCC3(CC2)C[C@]2(CO3)NC(=O)c3cc(Cl)ccc3N2)c1C 12085566 KHFIUFISEHEPJG-HSZRJFAPSA-N 443.979 3.562 0 40 IHAB O=C(N1CCC2(CC1)C[C@](O)(c1nccs1)CO2)C1(c2ccc(Cl)cc2)CCC1 12184892 STRFPBRNIRPJGV-JOCHJYFZSA-N 432.973 3.888 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NCCN(C(C)C)C(C)C)cc2)c1 12731280 HZEHBWJHAJELGA-UHFFFAOYSA-N 431.602 3.953 0 40 IHAB C[C@]1(CCc2ccc(OC(F)F)cc2)NC(=O)N(C[C@H](O)c2ccc(Cl)cc2)C1=O 12790513 IASAKCSNRYMSDT-LAUBAEHRSA-N 438.858 3.918 0 40 IHAB O=C(/N=c1\sccn1Cc1ccccc1)c1ccccc1S[C@H]1CCS(=O)(=O)C1 12791366 ASPIKKIRQUOKQX-NFFVOIMASA-N 444.603 3.618 0 40 IHAB C[C@@H](c1ccccc1)N1C[C@H](C(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)CC1=O 12919629 PFGIPDIFLFBUNW-DZGCQCFKSA-N 434.323 3.658 0 40 IHAB Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NCCCc3ccccc3)CC2)c(C)c1 12922400 LQPFYOVIRVFYQE-UHFFFAOYSA-N 428.598 3.762 0 40 IHAB CCn1c(SCC(=O)N(C)CCOc2ccc(Br)cc2)nnc1C1CC1 13010684 KAOUEIWTSLMHRL-UHFFFAOYSA-N 439.379 3.567 0 40 IHAB CCc1ccc(N(CC(=O)NC2CCCCC2)C(=O)CCC(=O)Nc2nccs2)cc1 13501726 PBUVCRNQLNNESQ-UHFFFAOYSA-N 442.585 3.906 0 40 IHAB COc1ccccc1[C@H]1CC(=O)c2cnc3[nH]n(-c4nc5ccccc5o4)c(=O)c3c2C1 13639649 CYWHXCJKFYJZRH-CYBMUJFWSA-N 426.432 3.776 0 40 IHAB COc1ccc(-c2nc3ncc4c(=O)n(CCc5c[nH]c6ccccc56)ccc4n3n2)cc1 13729623 KOARUSBAQIIXDB-UHFFFAOYSA-N 436.475 3.839 0 40 IHAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(Cc3ccccc3)Cc3ccccc3)C2=O)cc1 14183843 WAJSDDKHFUUUKD-HHHXNRCGSA-N 441.531 3.991 0 40 IHAB CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)CN1C(=O)NC2(CCCCC2)C1=O 14231821 MSEPNWGKUZVWAX-UHFFFAOYSA-N 441.359 3.856 0 40 IHAB CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3)cc2Cl)CC1 14271658 CXAAJLRJCZVGKJ-UHFFFAOYSA-N 444.988 3.916 0 40 IHAB COc1ccc(C(=O)Nc2cc(Cl)ccc2N2CCN(C(=O)C(C)C)CC2)cc1OC 14291137 BUNGIRHIWFODPK-UHFFFAOYSA-N 445.947 3.914 0 40 IHAB COc1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2C(=O)O)cc1Cl 16226845 WBEJJRQJQLGOLI-UHFFFAOYSA-N 443.706 3.936 0 40 IHAB CCOC(=O)C1=C(CSc2ncnc3sc(-c4ccccc4)cc23)NC(=O)N[C@@H]1C 16684538 TWZXWQOOENSATL-GFCCVEGCSA-N 440.550 3.969 0 40 IHAB COc1cc(CNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)ccc1OCc1ccccc1 18160852 IMLGUGTWLZHULK-HXUWFJFHSA-N 434.492 3.532 0 40 IHAB Cc1cc(-c2cnc(N3CCC(C)CC3)nc2C2CCN(C[C@@H]3CCOC3)CC2)on1 19123200 DZPUZORKFLXMLA-IBGZPJMESA-N 425.577 3.892 0 40 IHAB O=C(CCCOc1ccccc1F)N1CCC([C@@H]2C[C@H](C(F)F)n3ncnc3N2)CC1 19350257 YOACEVFZVLGTOE-DLBZAZTESA-N 437.466 3.505 0 40 IHAB CC(C)c1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)CN4CCCC4=O)C3)noc2n1 19452024 NYFBFCSSLAXXNJ-CYBMUJFWSA-N 438.450 3.693 0 40 IHAB CCCc1cc(C(=O)N2CCNC(=O)[C@@H](Cc3ccc(-c4ccccc4F)cc3)C2)no1 19525353 CRFAZNDPDGPHCQ-IBGZPJMESA-N 435.499 3.864 0 40 IHAB CCN1CCN(C(=O)c2c(C)noc2C)C[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O 19527377 CMPZYQMADVZOGX-QFIPXVFZSA-N 432.524 3.517 0 40 IHAB CCN1CCN(C(=O)CCn2nccc2C)C[C@@H](Cc2cccc(-c3ccccc3)c2)C1=O 19527486 UMARWKJUSUNPBO-RUZDIDTESA-N 444.579 3.798 0 40 IHAB CCN1CCN(C(=O)c2cnn(C)c2C)C[C@@H](Cc2cccc(-c3ccccc3C)c2)C1=O 19527530 MWQSBYDVTRJXNF-HSZRJFAPSA-N 444.579 3.867 0 40 IHAB CCNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CCCN(C(=O)c2cccnc2)C1 19528667 GQPPHIQOYOPWEH-SANMLTNESA-N 428.536 3.745 0 40 IHAB COc1ccc(CN2CCC[C@H]([C@@H](NC(=O)[C@@H]3CCCO3)c3ccccn3)C2)c(C)c1C 19577340 VNYUVYKEONCXHA-GVXSCFBNSA-N 437.584 3.956 0 40 IHAB CSc1nc2nc(C)c(CC(=O)O[C@@H](C)C(=O)C34CC5CC(CC(C5)C3)C4)c(C)n2n1 19615124 YOOJIGDCRQSTMP-NSDYXAQKSA-N 442.585 3.723 0 40 IHAB CN(C)c1nc2ccccc2cc1CN1CC[C@@H](c2c(C(N)=O)sc3ncccc23)C1 19702124 LGLNWLULPFVUKO-MRXNPFEDSA-N 431.565 3.999 0 40 IHAB CC(=O)N[C@H]1C[C@@H](c2ccccc2NC(=O)c2cccc(-n3cnnc3)c2)O[C@@H](C(C)C)C1 19712193 XDDMTRANIOYHPD-FOVJLYNBSA-N 447.539 3.900 0 40 IHAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)OCCOc1cccc(Br)c1)(C3)C2 20978450 WJAORBDSAGSDPV-XBLGPDGASA-N 436.346 3.846 0 40 IHAB CCOC(=O)c1ccc2[nH]c(CSc3nc(-c4ccc(OC)cc4)n[nH]3)cc(=O)c2c1 21098961 GKWLUFYBLUDQBW-UHFFFAOYSA-N 436.493 3.791 0 40 IHAB C[C@@H](OC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)C(=O)Nc1ccc(N2CCCCC2)cc1 21856899 SYDLVRIDEYHYDA-FOIQADDNSA-N 439.487 3.812 0 40 IHAB O=C(Nc1ccc(F)cc1)c1nnc(CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)s1 23004371 BXCDVWSJXVTNLJ-OAHLLOKOSA-N 439.516 3.780 0 40 IHAB C[C@@H](C(=O)N(C)c1ccccc1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 23805224 ASXBSMBGWSTHFH-AWEZNQCLSA-N 426.870 3.927 0 40 IHAB Cc1nc2c(cc1C(=O)Nc1cccc(NC(=O)c3ccc4c(c3)OCO4)c1)c(C)nn2C 29962182 RNYASOSUICGMFM-UHFFFAOYSA-N 443.463 3.818 0 40 IHAB Cc1ccc(C(=O)NC(=S)Nc2nc3ccc(N4CCOCC4)cc3s2)cc1C 32127975 ZRBLMUGKFOFMDW-UHFFFAOYSA-N 426.567 3.877 0 40 IHAB COc1ccc(C)cc1NC(=O)[C@H](NC[C@@H](C(C)C)N1CCOCC1)c1ccccc1 32900794 PVXBBZABLPWDGG-LADGPHEKSA-N 425.573 3.630 0 40 IHAB Cc1ccc2c(c1)cc(CN(C[C@@H]1CCCO1)C(=O)Nc1cccc(F)c1)c1nnnn12 35311752 UNUNPDSTTWZVFW-FQEVSTJZSA-N 434.475 3.938 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)Nc1ccc(Nc2cc(-n3ccnc3)ncn2)cc1 35598113 CKLLONZTRRLSTI-UHFFFAOYSA-N 436.497 3.524 0 40 IHAB O=C1c2ccccc2[C@](O)(c2ccc(Br)cc2)N1Cc1cn2ccccc2n1 36398468 JPXWHGJTGJUJOJ-JOCHJYFZSA-N 434.293 3.946 0 40 IHAB O=C(c1cc2cc(Br)cc(Br)c2oc1=O)n1nnc2ccccc21 36627503 RMZHEDGOXKYYFP-UHFFFAOYSA-N 449.058 3.751 0 40 IHAB CC(C)(C)[C@H](Cn1ccnc1)NC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 40145708 XNEYMENHSJJKIO-SFHVURJKSA-N 439.482 3.975 0 40 IHAB O=C(Nn1ccc2c(cnc3c(-c4ccc(F)cc4)cnn32)c1=O)c1ccc(Cl)cc1 40396654 XCZVRMLMGRUCHO-UHFFFAOYSA-N 433.830 3.888 0 40 IHAB Cc1cc(C)cc(Nc2nc(C)cc3nn(CC(=O)Nc4ccc(Cl)cc4)c(=O)n23)c1 49410686 RRXAPVHCPDOQCI-UHFFFAOYSA-N 436.903 3.852 0 40 IHAB COc1ccccc1Cn1c(=O)c2sccc2n(CC(=O)Nc2ccc(C)cc2C)c1=O 67205505 GCDXDHGMNWJTLX-UHFFFAOYSA-N 449.532 3.537 0 40 IHAB CCN(CC)CCN(CCC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 79053854 VYEMIOVEYPWUKS-SFHVURJKSA-N 445.501 3.801 0 40 IHAB CCN1C[C@]2(CC1=O)CN(Cc1ccc(C)s1)CCN(C(=O)Nc1ccccc1)C2 97952816 OZAPCCJMLKTHNY-QHCPKHFHSA-N 426.586 3.645 0 40 IHAB CCn1c(S)nc2cc(C(=O)N[C@@H](C)c3ccccc3Br)ccc2c1=O 102170385 SQBRLCHIGGSESX-NSHDSACASA-N 432.343 3.959 0 40 IHAB O=C(O)c1ccccc1[C@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2ON1c1ccccc1 102740769 VARXRXVMXBPTGE-PCCBWWKXSA-N 432.407 3.575 0 40 IHAB CC(=O)CCCC[Sn](c1ccccc1)(c1ccccc1)c1ccccc1 195774394 OMKZWTAWMCVLFN-UHFFFAOYSA-N 449.182 3.916 0 40 IHAB COc1cccc(Nc2cnn([C@@]34C[C@@H]5C[C@@H](C[C@@H](C5)C3)[C@H]4C(=O)O)c(=O)c2Cl)c1 217532946 GRHNBALWWGAKJN-AKJXDYRQSA-N 429.904 3.885 0 40 IHAB CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc(Br)c(C)c1 223624494 YLBYDOPIWHJWOJ-KRWDZBQOSA-N 447.373 3.998 0 40 IHAB CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)NCCc1ccc(F)cc1 223824382 VWOMLXHETULUKH-UHFFFAOYSA-N 426.513 3.764 0 40 IHAB Cc1cc(NC(=O)[C@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)ccc1Br 224891517 NXXQMQKOXVPUGV-NSHDSACASA-N 447.301 3.829 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3ccc(C)cc3C)CC2)cc1 225497062 BYSZTNMTZWSZPO-SFHVURJKSA-N 430.570 3.590 0 40 IHAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)COc1cc(C)ccc1C(C)C 225548471 QFYZEUSYKJHDFD-UHFFFAOYSA-N 434.558 3.831 0 40 IHAB Cc1cccc(CNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)c1 226007566 ARVDTVXTUVTIKH-UHFFFAOYSA-N 426.513 3.641 0 40 IHAB NC(=O)c1ccc(-c2cccc([C@@H]3CN(C(=O)CCc4ccc(F)cc4)CCO3)n2)cc1 257243370 IGQBPTIAGLMHAZ-QHCPKHFHSA-N 433.483 3.519 0 40 IHAB COc1ccc(N([C@H](C)C(=O)NCc2cccc3ccccc23)S(C)(=O)=O)cc1Cl 260834500 MOORSTIKANKCOZ-OAHLLOKOSA-N 446.956 3.973 0 40 IHAB C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2nnc([C@H]3CN(Cc4ccccc4)CCN3C)n2c1 306138412 RXADJCCUFLBSCN-WTIAFYNJSA-N 446.599 3.527 0 40 IHAB Cc1cccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)NCCc3ccccc3)CC2=O)c1 408614536 DKXWNQPYVPRYAD-NRFANRHFSA-N 441.531 3.959 0 40 IHAB COc1cc(/C=C2\NC(=O)N(Cc3ccc(F)cc3)C2=O)cc(Br)c1OC 409010407 KIWLLPGPYZKWTJ-NVNXTCNLSA-N 435.249 3.698 0 40 IHAB Cc1ccc([C@H]2[C@@H](NC(=O)c3ccc(Cl)cc3)C(=O)N/[N+]2=C\c2ccccc2C)cc1 409059982 TZTVWZGUORCLKY-WSBKAMHLSA-O 432.931 3.973 0 40 IHAB Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)N2CCC[C@@H](c3nn[nH]n3)C2)cc1 540425647 ZRLMJMWVXFXVDM-QGZVFWFLSA-N 431.475 3.520 0 40 IHAB CCN1CCN(S(=O)(=O)c2nc(-c3ccccc3)oc2-c2ccc(Cl)cc2)CC1 585152384 WWRQRSUQPHJRRV-UHFFFAOYSA-N 431.945 3.988 0 40 IHAB CC(C)(NC(=O)c1ccccc1F)C(=O)N1CCOC[C@@H](Cc2cccc3ncccc23)C1 585262054 AANKHQGXYBUNLY-SFHVURJKSA-N 449.526 3.600 0 40 IHAB C[C@](O)(C1CCN(C/C=C/CN2CCC([C@](C)(O)C(F)(F)F)CC2)CC1)C(F)(F)F 681035222 QALZGXUPMZQXDV-ZFRRBFPSSA-N 446.476 3.593 0 40 IHAB C[C@]12C[C@@H](Cc3ccccc3)N(CC(=O)NCc3ccccc3Cl)[C@H]1CCCC(=O)N2 2037819011 AZXZLHQUNCRMRJ-KJWPAHLWSA-N 439.987 3.701 0 40 IHAB O=C(Cn1cnc2c(cnn2-c2ccccc2Cl)c1=O)Nc1cccc(C(F)(F)F)c1 1330912 SMUOHQXPHLPKSG-UHFFFAOYSA-N 447.804 3.893 0 40 IHAB CC1(C)C(=O)N(Cc2ccccc2)C(=O)[C@H]2C(=O)Oc3ccc(Br)cc3[C@H]21 2504231 UDNNMKZSAGOAPF-DLBZAZTESA-N 428.282 3.663 0 40 IHAB Cc1cc(C)n(NC(=O)c2cnn3c(C(F)F)cc(-c4ccc(F)cc4)nc23)c(=O)c1 2787190 QAOZLOSBTUECIJ-UHFFFAOYSA-N 427.386 3.635 0 40 IHAB O=S(=O)(c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)N1CCOCC1 3215135 SEQMBXQIROBJGF-UHFFFAOYSA-N 431.517 3.985 0 40 IHAB COc1cccc(Nc2nnc(S[C@@H](C)C(=O)NCc3ccc4c(c3)OCO4)s2)c1 3439488 MDOIAALFRMXURQ-LBPRGKRZSA-N 444.538 3.816 0 40 IHAB Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccc(OC(F)F)cc3)n2N)c(C)c1 3573232 UNMNBRHGMDYLBT-UHFFFAOYSA-N 433.484 3.916 0 40 IHAB C[C@]12C=C[C@](CNC(=O)OCc3ccccc3)(O1)C(Cl)(Cl)C(=O)C2(Cl)Cl 3851584 NIDKTDKFJVFEBV-HUUCEWRRSA-N 439.122 3.927 0 40 IHAB COc1ccc(NC(=O)CSc2nnc(-c3ccoc3C)n2C[C@@H]2CCCO2)cc1 8676873 CKESRDWYENFIOT-KRWDZBQOSA-N 428.514 3.765 0 40 IHAB Cc1ccccc1/C=C/c1nc2ccc(I)cc2c(=O)n1CCCO 8914553 NCNQUXLFHGEQMJ-JXMROGBWSA-N 446.288 3.862 0 40 IHAB CNC(=O)c1c(NC(=O)c2cc(-c3cc(Cl)ccc3O)[nH]n2)sc2c1CCCC2 9124343 DRALHTHCFOOVSX-UHFFFAOYSA-N 430.917 3.988 0 40 IHAB Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)COc2ccc3c(c2)CCC3)c1C 9125780 YDGOSZMCNWZUSF-QHCPKHFHSA-N 436.552 3.817 0 40 IHAB CCOC(=O)c1c(NC(=O)CNc2ccccc2N2CCCC2=O)sc2c1CCCC2 9338557 VSAAOJXHONIUJO-UHFFFAOYSA-N 441.553 3.981 0 40 IHAB COc1ccc(C(=O)C[C@]2(NC(C)=O)C(=O)N(Cc3ccccc3)c3ccccc32)cc1 9341117 KLIMSIJWWXVTSR-AREMUKBSSA-N 428.488 3.846 0 40 IHAB O=C(Oc1ccc(Br)cc1)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)c1 9371482 QBCOPAIFZCCVLQ-ATNYCFDYSA-N 438.277 3.980 0 40 IHAB CCOC(=O)C1=C(C)Nc2nc(SCc3ccccc3)[nH]c(=O)c2[C@H]1c1ccncc1 9393859 MYQDLIZCPBVCTE-SFHVURJKSA-N 434.521 3.852 0 40 IHAB NC(=O)c1c(NC(=O)CSc2nccn2-c2ccc(Cl)cc2)sc2c1CCC2 9466600 ZCPZJRSBZNBCMY-UHFFFAOYSA-N 432.958 3.906 0 40 IHAB CCN(CC)S(=O)(=O)c1cccc(NS(=O)(=O)c2cccc(Cl)c2Cl)c1 9510253 JEXDZZQHDITEFI-UHFFFAOYSA-N 437.370 3.825 0 40 IHAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C/C(=O)OCN1C(=O)c2ccccc2C1=O 9633464 UWPRFJQPLAHMIL-ZHACJKMWSA-N 439.830 3.783 0 40 IHAB CCOc1ccc(C(=O)Oc2coc(CSc3nccn3C)cc2=O)cc1OCC 9712921 WEBQRDGMFLMAMX-UHFFFAOYSA-N 430.482 3.682 0 40 IHAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)Cc2csc(-c3ccccc3)n2)CC1 9789213 LKCBFUCZKDGNKS-UHFFFAOYSA-N 449.532 3.959 0 40 IHAB COc1ccc(N(Cc2cccs2)C(=O)Cn2nnc(-c3cccc(OC)c3)n2)cc1 9798249 CHTFDKCDFOTOHN-UHFFFAOYSA-N 435.509 3.652 0 40 IHAB C[C@H](NC(=O)CSc1nnc(NCc2ccccc2)s1)c1ccc2c(c1)OCCO2 9871731 GMPFWBROZQQFDV-AWEZNQCLSA-N 442.566 3.891 0 40 IHAB O=C(NCCOc1ccc2nnc(-c3ccccc3Cl)n2n1)c1ccc(F)cc1F 11693928 UNQFZZCDWPALIZ-UHFFFAOYSA-N 429.814 3.532 0 40 IHAB COc1ccc(-c2nc3n(c2NC(C)(C)C)CCN(Cc2cnn(C)c2C)C3)cc1OC 12116004 CPOGKVZIBDSMQK-UHFFFAOYSA-N 438.576 3.835 0 40 IHAB Cc1cc(C(F)F)n2ncc(C(=O)N3CCC[C@@]4(C)c5nc(C)ncc5CC[C@H]34)c2n1 12232804 ZKDRZHCUVNDCCS-HTAPYJJXSA-N 426.471 3.582 0 40 IHAB COc1cc([C@H]2c3cccn3CCN2C(=O)NCCc2ccccc2)cc(OC)c1OC 12344900 ZCCHYFYKDKRFPX-QHCPKHFHSA-N 435.524 3.871 0 40 IHAB CCCN(Cn1nc(-c2cccs2)n(-c2ccccc2)c1=S)[C@@H]1CCS(=O)(=O)C1 12515176 ZJQNODZPTROEIE-QGZVFWFLSA-N 448.639 3.988 0 40 IHAB COc1cccc([C@H](NC(=O)Cc2c(C)nn(-c3ccccc3)c2C)c2nccn2C)c1 12535630 KXPHJIXPHMVVFB-DEOSSOPVSA-N 429.524 3.680 0 40 IHAB O=C(CN1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21)Nc1cccc(C(F)(F)F)c1 12563353 LJDYNHIQVSCJSS-FQEVSTJZSA-N 447.457 3.924 0 40 IHAB CCc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)N3CCN(Cc4ccccc4)CC3)n2)cc1 12617977 GWSGJTGFFHFJIO-SFHVURJKSA-N 435.597 3.859 0 40 IHAB CC(C)(C)NC(=O)[C@H](c1cccs1)N(C(=O)C(=O)NC1CCCC1)c1ccccc1F 12640921 UNMPNOBWPAHVEG-IBGZPJMESA-N 445.560 3.935 0 40 IHAB Cc1cc(N2CCN([C@@H](C)C(=O)Nc3cccc(Br)c3)CC2)nc(C(C)C)n1 12744947 MUTUNNBLXRSTMU-INIZCTEOSA-N 446.393 3.820 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3cccc(C(F)(F)F)c3)C2)s1 12809150 HMCOQLWYEFIOIL-HNNXBMFYSA-N 446.516 3.792 0 40 IHAB C[C@H](NC(=O)OCc1ccccc1)C(=O)NCCSc1ccc(Br)cc1 12946797 UKPGSOFQSUILHU-AWEZNQCLSA-N 437.359 3.972 0 40 IHAB CCCCCCn1nc(C(=O)OCC(=O)NCc2ccccc2F)c2ccccc2c1=O 13014367 JLKXFLVUKXOPJC-UHFFFAOYSA-N 439.487 3.589 0 40 IHAB O=S(=O)(c1cccc(CN2CCC[C@H]2c2nc3ccccc3s2)c1)N1CCOCC1 13113387 UFQKFUWARJLZEA-FQEVSTJZSA-N 443.594 3.654 0 40 IHAB O=C(Cn1nnc(-c2ccc(Br)cc2)n1)N1CCC(Cc2ccccc2)CC1 13117966 QJFODRCYGFQSTM-UHFFFAOYSA-N 440.345 3.584 0 40 IHAB O=C(Cn1nnc(-c2ccccc2NC(=O)C23CC4CC(CC(C4)C2)C3)n1)NC1CCCC1 13470622 SVVRPOXUZNKAIN-UHFFFAOYSA-N 448.571 3.554 0 40 IHAB COc1cccc(N(CC(=O)N2CCc3ccccc32)S(=O)(=O)c2ccc(C)cc2)c1 13674724 YRHXWISFIJDYTD-UHFFFAOYSA-N 436.533 3.788 0 40 IHAB CC(C)(C)NC(=O)NC(=O)COC(=O)C1(Cc2nc3ccccc3s2)CCCCC1 13985734 PMNWFBPBHKRELR-UHFFFAOYSA-N 431.558 3.957 0 40 IHAB CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3C[C@@H](C)O[C@H](C)C3)c2c1C 14166805 BOLRKYDOJHJBCA-HUUCEWRRSA-N 432.590 3.776 0 40 IHAB Cc1ccc(Cc2nn3c(SCC(=O)Nc4cccc(Cl)c4)nnc3nc2O)cc1 15882064 PZMFSLZDXFVQJB-UHFFFAOYSA-N 440.916 3.508 0 40 IHAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Cc1cc(Cl)c2c(c1)OCCCO2 16234837 KYCYJCHMTWPUDC-HNNXBMFYSA-N 426.904 3.844 0 40 IHAB CCn1cc(NC(=O)c2cc(C)nc3c2c(C)nn3C(C)C)c(C(=O)NC2CCCC2)n1 17101549 PDONRKRQENWNCK-UHFFFAOYSA-N 437.548 3.770 0 40 IHAB COc1ccccc1-c1nc2n(n1)[C@@H](c1ccccn1)C(C(=O)Nc1cccnc1)=C(C)N2 17243752 PJYJZYRMVZZOJO-NRFANRHFSA-N 439.479 3.671 0 40 IHAB C[C@H](C(=O)N1CCC[C@H]([C@@H]2C[C@H](C(F)F)n3nc(C(C)(C)C)cc3N2)C1)N1CCCC1 19078266 MSXGFFFIKZDDKB-VSZNYVQBSA-N 437.579 3.894 0 40 IHAB CC(C)NC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)[C@H]2CCCO2)C1 19449213 GPFYJVKPAXVADK-YKSBVNFPSA-N 426.582 3.880 0 40 IHAB CC(C)[C@H]1CN(Cc2ccccc2F)CCN1C(=O)[C@@H](C)c1n[nH]c(=O)c2ccccc12 19451459 RQOLZHUWCDDPHD-HTAPYJJXSA-N 436.531 3.535 0 40 IHAB COc1c(C)cccc1CN1CCO[C@@H](c2c(C(=O)NCCO)sc3ccccc23)C1 19697580 DMVUMDSANNKXDE-LJQANCHMSA-N 440.565 3.514 0 40 IHAB Cc1ccc(CN2C(=O)CCc3c(C)nc([C@H]4CCCN4Cc4cnn(C)c4)nc32)cc1 19741903 UMQSOAVOORXNDK-JOCHJYFZSA-N 430.556 3.643 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCCc4ccccc43)CC2)cc1C 20018173 JLMRZRNGTQPIQI-QFIPXVFZSA-N 442.581 3.598 0 40 IHAB Cc1[nH]c(C(=O)Nc2nc(CN3C[C@H](C)O[C@H](C)C3)cs2)c(C)c1C(=O)OC(C)C 22301147 GBJYBKTUHXJQLO-BETUJISGSA-N 434.562 3.515 0 40 IHAB CC(C)c1ccccc1N(CC(=O)N[C@H]1CC(C)(C)Oc2ccccc21)S(C)(=O)=O 22401652 XRJNRYHZAFSKJJ-IBGZPJMESA-N 430.570 3.995 0 40 IHAB COc1ccccc1-n1ncc2c(C)nnc(SCC(=O)NCc3ccc(F)cc3)c21 23137855 BLDFQMKHKVAOFU-UHFFFAOYSA-N 437.500 3.680 0 40 IHAB C[C@H](NC(=O)CN1CCC(Cc2ccccc2)CC1)[C@H](c1ccccc1)N1CCOCC1 24572642 QWEPIRRBZOQCGP-WXVAWEFUSA-N 435.612 3.519 0 40 IHAB O=C(Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)N1CCOc2ccccc21 25312736 IJCXHIDIZYBPOI-UHFFFAOYSA-N 426.469 3.595 0 40 IHAB CCOc1ccc(N[C@H](C)c2nnc(-c3cccc(C)c3)o2)cc1S(=O)(=O)N(C)C 32814597 USXGIBMIEULHST-OAHLLOKOSA-N 430.530 3.867 0 40 IHAB CCCn1c(=O)n(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c2ccccc21 32830280 XJZUOJVKZCRWDG-LJQANCHMSA-N 435.524 3.738 0 40 IHAB O=C(COc1ccccc1C(=O)N1CCOCC1)Nc1cc(C(F)(F)F)ccc1Cl 32883575 RPYDZBARGNTXNU-UHFFFAOYSA-N 442.821 3.849 0 40 IHAB O=C(NCc1ccco1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2ccccc2c1 33018832 YQMHKAUSRLXNJO-HSZRJFAPSA-N 434.517 3.639 0 40 IHAB O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccn1)OCc1ccccc1 33023891 XHHPREQTUWBJTB-HSZRJFAPSA-N 428.492 3.717 0 40 IHAB Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H](N5CCC[C@H](CO)C5)C4=O)cc3)sc2c1 33293656 ARPPWDFZLBIMCX-JXFKEZNVSA-N 435.549 3.608 0 40 IHAB O=C(CN1CCN(c2ccc(O)cc2)CC1)N[C@H](c1ccc(F)cc1)c1cccs1 35388255 JGAWJLZMYKWVMP-HSZRJFAPSA-N 425.529 3.621 0 40 IHAB COc1ccc(Cc2nnc(C3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)s2)cc1 38900643 GORYPKIFOGLVHC-UHFFFAOYSA-N 437.521 3.886 0 40 IHAB O=C(OCc1cccs1)[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1 40034703 INBSCROBWCUMDZ-MRXNPFEDSA-N 444.372 3.797 0 40 IHAB Cc1nn(-c2ccc(F)cc2F)c(C)c1CC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 40131817 KJFLQMFKWOCUAK-CYBMUJFWSA-N 426.423 3.668 0 40 IHAB COc1ccc(CC(=O)NCC2(c3cccc(Br)c3)CCOCC2)cc1OC 40155250 VIOMGVLOKDZGHR-UHFFFAOYSA-N 448.357 3.873 0 40 IHAB CC(=O)Nc1c(C)cccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc(C)cc2)nc1O 44803229 MQLBWWIUWCCGMP-AWEZNQCLSA-N 437.525 3.939 0 40 IHAB CC[C@@H](NC(=O)C1CCN(Cc2ccc(F)cc2)CC1)c1ccc(S(C)(=O)=O)cc1 44856996 XDXYSYDLPSMXBV-JOCHJYFZSA-N 432.561 3.709 0 40 IHAB Cc1ccc([C@@H](C)NC(=O)CN(c2ccc(Br)c(C)c2)S(C)(=O)=O)cc1 44880085 BJCJMJFZTPENAP-OAHLLOKOSA-N 439.375 3.709 0 40 IHAB CCOC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2c2nc3ccccc3n2C)cc1 48313527 DCDDIYRYALKSPF-FQEVSTJZSA-N 427.526 3.666 0 40 IHAB CC[C@@](C)(CNC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1)N1CCOCC1 48331648 MSCZPEXEYAZSBI-DEOSSOPVSA-N 440.544 3.570 0 40 IHAB CC1=C(C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C(=O)OC1(C)C 58293390 RAULOYXZHZDYHJ-UHFFFAOYSA-N 440.490 3.850 0 40 IHAB O=C1CCCN1c1ccc(Cn2c(=O)n(-c3ccccc3F)c(=O)c3sccc32)cc1 67258214 QPMFCLLWBRESEM-UHFFFAOYSA-N 435.480 3.528 0 40 IHAB Cc1oncc1C(=O)NC1CCN(CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 72311959 BSZYXDMMQXXZIB-UHFFFAOYSA-N 425.316 3.513 0 40 IHAB CCCn1cc(S(=O)(=O)N2CCC[C@H]2c2ccc(Nc3ccc(F)cn3)cn2)c(C)n1 72353217 DUGGNRVBYSDQSZ-IBGZPJMESA-N 444.536 3.800 0 40 IHAB NC(=O)c1ccc(-c2cnc(N)nc2[C@@H]2CCCCN2C(=O)CCc2ccccc2)cc1 72376914 ISNWRDPLCBLGAI-NRFANRHFSA-N 429.524 3.511 0 40 IHAB O=C(NCCn1ccc2ccc(F)cc21)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 95480583 ZUAIGIVHQXZGOZ-UHFFFAOYSA-N 449.935 3.794 0 40 IHAB CCN(CC)CCCNC(=O)c1nc(-c2cn(Cc3ccccc3)cn2)n2ccccc12 96037954 DBUYUVPIENWNGD-UHFFFAOYSA-N 430.556 3.708 0 40 IHAB COc1ccc(CNC(=O)c2nc3c(s2)CCN(C(=O)Nc2ccccc2)CC3)cc1 96264750 OPRVDTAYSOOALN-UHFFFAOYSA-N 436.537 3.714 0 40 IHAB CCOC(=O)C1=C(CC)Nc2ccccc2N=C1NS(=O)(=O)c1cccc(C(C)=O)c1 102386957 LNMPHAUDNMOSEQ-UHFFFAOYSA-N 441.509 3.550 0 40 IHAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NCCc1ccc(OC)c(OC)c1 222826631 AMLHSZPGRSBNFG-INIZCTEOSA-N 432.948 3.843 0 40 IHAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1cccc(C)c1 222882781 JASPNPNDLVKCTJ-VWLOTQADSA-N 446.547 3.769 0 40 IHAB O=C(NCCCO)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccccc1 223355892 MCFUPWUKULIWCN-SANMLTNESA-N 430.548 3.888 0 40 IHAB CCc1cccc(C)c1NC(=O)CCc1cc(S(=O)(=O)N2CCCC2)ccc1OC 223459406 GVTABWZTTIPTDX-UHFFFAOYSA-N 430.570 3.922 0 40 IHAB COc1ccc(C)cc1NS(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1 223799235 QWZGSDZZZYXYNO-UHFFFAOYSA-N 438.918 3.562 0 40 IHAB Cc1cc(C(=O)NCCCN2CCCCCC2)ccc1N(C)S(=O)(=O)c1ccccc1 224196682 VOEJMXAFQPJEKO-UHFFFAOYSA-N 443.613 3.816 0 40 IHAB CC[C@@H](C(=O)NCCOc1ccc(C)c(C)c1)N(c1cccc(Cl)c1)S(C)(=O)=O 224302214 ARNVOMGBBUDPAO-FQEVSTJZSA-N 438.977 3.697 0 40 IHAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)COc1ccccc1F 225546263 ACMFPYXLAXAFML-HSZRJFAPSA-N 434.511 3.899 0 40 IHAB Cc1ccc(-c2nnc(NC(=O)CCCN(c3ccccc3F)S(C)(=O)=O)s2)cc1 225645581 TYYJWGLEIDEFAV-UHFFFAOYSA-N 448.545 3.838 0 40 IHAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)c(C)c1 225710523 LKCIORZZVZWIGK-UHFFFAOYSA-N 434.539 3.930 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC(=O)NCC(C)(C)C)Cc2ccccc2)cc1C 226074878 HGUFJIAKBJJMLF-UHFFFAOYSA-N 432.586 3.747 0 40 IHAB C[C@H](Sc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)C(=O)N[C@H](C)c1ccccc1 245283967 PIUYPXUTSDKKIW-ZIFCJYIRSA-N 437.565 3.934 0 40 IHAB CCOc1ccc(C=c2sc3nc(-c4cccc(Cl)c4)nn3c2=O)cc1OCC 254485984 KQZHEXPJJRQWQU-UHFFFAOYSA-N 427.913 3.817 0 40 IHAB Cn1nc([C@H]2CN(CCc3ccccc3)CCO2)cc1CCOc1ccc(F)c(F)c1 257328012 XDTPDNURFLUMMT-XMMPIXPASA-N 427.495 3.936 0 40 IHAB NC(=O)c1sc2ncccc2c1[C@H]1CC[C@H](CNC(=O)CC2(O)CCCCC2)CC1 257335040 YILHRSRDERUXDE-WKILWMFISA-N 429.586 3.871 0 40 IHAB C[C@@H]1CCCCN1c1cc(N2CCCCCC2)nc(NC(=S)NC[C@H]2CCCO2)n1 260724248 YNJGMJJXUBQITO-QZTJIDSGSA-N 432.638 3.701 0 40 IHAB CCOc1ccc(N([C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)S(C)(=O)=O)cc1 260899768 PWMWJOPAAQHQPB-CYBMUJFWSA-N 446.447 3.777 0 40 IHAB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 408605803 NMSSNVODBSHCQN-QGZVFWFLSA-N 440.521 3.580 0 40 IHAB CCCCCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)c3cccs3)CC2=O)cc1 408637912 NXOXPOVVNRCUGK-QGZVFWFLSA-N 443.521 3.874 0 40 IHAB C[C@@H]1CC[C@@H]2C(=O)N(c3cccc(C(=O)OCC(=O)N[C@H](C)c4ccccc4)c3)C(=O)[C@@H]2C1 408657225 GZMKYXDAVWKPIP-FTIBCMOBSA-N 448.519 3.646 0 40 IHAB CCOc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2cccc(C(C)=O)c2)cc1 408662428 IECQOZRMZXWLCT-UHFFFAOYSA-N 426.469 3.579 0 40 IHAB O=C(CCN1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)NC[C@H]1CCCO1 408684503 OXSPKDIEMRBVSC-SSDOTTSWSA-N 440.110 3.582 0 40 IHAB CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCC(=O)Nc1c(C)cccc1C 409055708 PJUQUPASMBOSHP-UHFFFAOYSA-N 437.569 3.884 0 40 IHAB CCn1c(SCC(=O)NCc2ccccc2)nnc1[C@H](C)NC(=O)c1ccc(C)cc1 409130532 HYYJUIYPRDFTLB-KRWDZBQOSA-N 437.569 3.506 0 40 IHAB CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc[nH]3)C2=O)ccc1Cl 409341186 DICQEUVLTZSQSF-MHWRWJLKSA-N 447.900 3.910 0 40 IHAB COc1ccc(C(=O)N2CCCCN(C)C(=O)c3ccccc3OC[C@@H]2CC(C)C)cn1 643584402 PRHWQZWYISJCOZ-FQEVSTJZSA-N 439.556 3.892 0 40 IHAB CC(C)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)C1 682351988 HAWKDORNOQFDTC-IBGZPJMESA-N 436.581 3.815 0 40 IHAB CC1CCC(C(=O)N[C@@H](CCCCCCCCCN)C(=O)N[C@@H](C)CCC(=O)O)CC1 1505840721 WFZVLGITDCKVQE-MAHYXTOZSA-N 439.641 3.747 0 40 IHAB CC(=O)N1CC[C@H]2CCCCN(Cc3ccccc3)CCOc3ccccc3C(=O)N[C@H]2C1 2037978452 WYUPXFMFNJDADO-NOZRDPDXSA-N 449.595 3.718 0 40 IHAB CCn1cc(CN2CCCC[C@@H]3[C@H](OC)CCCN3C(=O)c3ccccc3OCC2)cn1 2037980670 DKZNEGSKVOAQAM-ISKFKSNPSA-N 440.588 3.588 0 40 IHAB CC(=O)N1CCC(N2C[C@H]3C[C@H](Oc4ccccc4F)[C@@H](n4ccnc4C)C[C@H]3C2)CC1 2332242563 WCKVKOSJRCAQCS-RDMBEQIISA-N 440.563 3.672 0 40 IHAB Cc1ccc2c(c1)cc(CN(Cc1cccnc1)C(=O)c1ccc(F)cc1)c1nnnn12 1367172 SUVSBPMFNHOVCS-UHFFFAOYSA-N 426.455 3.963 0 40 IHAB CC1(C)c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CCc3c[nH]c4ccccc34)CC(=O)N21 2087801 UWSRKUIOGUFOIB-QFIPXVFZSA-N 426.520 3.723 0 40 IHAB biogenic CCc1ccc(OCc2nnc(SCC(=O)NCC(F)(F)F)n2CC(C)C)cc1 3251321 ZGWAIYIJRGYFAP-UHFFFAOYSA-N 430.496 3.846 0 40 IHAB CCCc1cc(=O)oc2cc(C)cc(O[C@@H](C)C(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)c12 4073522 QGXFHCQDCFOODI-KMEZTADASA-N 427.541 3.975 0 40 IHAB CC1=C[C@H]([C@@H]2CC(=O)N(c3ccccc3C)C2=O)C[C@H]2C(=O)N(c3ccccc3C)C(=O)[C@H]12 8443399 JQRMVDOOOSTCBW-PWSZPPJVSA-N 442.515 3.955 0 40 IHAB COC(=O)c1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccncc2)cc1 8845944 KJDFUSFERFAAIP-NRFANRHFSA-N 426.428 3.720 0 40 IHAB O=C1Oc2ccccc2[C@@H]2Oc3c(c(=O)oc4ccccc34)[C@]3(C(=O)Nc4ccccc43)[C@H]12 8856956 SZXKKLUZNAQNME-HEKZAOSPSA-N 437.407 3.700 0 40 IHAB C[C@@H](OC(=O)c1cccc(OCc2ccccc2)c1)C(=O)NCc1ccc2c(c1)OCO2 9031704 ZNYFIVBKLHBDGY-QGZVFWFLSA-N 433.460 3.856 0 40 IHAB Cc1cc(OCC(=O)N(Cc2cccc(Cl)c2)[C@H]2CCS(=O)(=O)C2)ccc1Cl 9191194 HDNOEZFXVUVNKJ-KRWDZBQOSA-N 442.364 3.897 0 40 IHAB Cc1cc(I)cnc1NC(=O)COc1ccc(Br)cc1 9192365 CAKPVXKSUCVBRU-UHFFFAOYSA-N 447.070 3.775 0 40 IHAB CCc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2ccc(C)cc2C)cc1 9307859 FDUCFXKBSSQGTI-UHFFFAOYSA-N 427.508 3.522 0 40 IHAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cncn1-c1ccccc1 9349919 ASGKZCIKRWQZQD-UHFFFAOYSA-N 436.512 3.759 0 40 IHAB CS(=O)(=O)Nc1ccc(C2=NN(C(=O)c3ccco3)[C@@H](c3ccccc3F)C2)cc1 9392149 DZSLYVYLKSVYTN-LJQANCHMSA-N 427.457 3.782 0 40 IHAB COC(=O)C1=C(C)Nc2nc(SCc3ccccc3F)[nH]c(=O)c2[C@H]1c1cccnc1 9393890 KJMDVLWPVXHOPW-KRWDZBQOSA-N 438.484 3.601 0 40 IHAB C[C@H](NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1ccc2c(c1)OCCO2 9465193 MUYNGZIWWODIKB-KRWDZBQOSA-N 441.487 3.707 0 40 IHAB C[C@@H](Sc1nnc(-c2ccccc2F)o1)C(=O)Nc1ccc(N2CCOCC2)cc1 9467136 QZPZFMVAENFFTK-CQSZACIVSA-N 428.489 3.832 0 40 IHAB COc1ccc(-c2cc(NC(=O)CCc3c(C)nc4ncnn4c3C)ccc2OC)cc1 9580969 ZFLVXUFPZJWHFC-UHFFFAOYSA-N 431.496 3.997 0 40 IHAB C[C@H](Sc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2o1)C(=O)NC1CCCC1 9669926 NMANFNOUMGGZOY-AWEZNQCLSA-N 437.587 3.542 0 40 IHAB O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)N[C@H](c1ccccc1)c1cccs1 9741073 RYWPCZIWHXOMTR-RDGATRHJSA-N 445.544 3.737 0 40 IHAB O=C(Nc1ccc(F)cc1F)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 9781753 JEHQEFGSSOIUHF-UHFFFAOYSA-N 428.460 3.964 0 40 IHAB COc1cc([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3ncnn32)cc(OC)c1OC 9905438 KWUTYEDIYRDPHR-NRFANRHFSA-N 449.511 3.848 0 40 IHAB CCOc1ccccc1-n1nnnc1SCC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 9912537 NSARMNLTKNXSOT-INIZCTEOSA-N 437.569 3.909 0 40 IHAB O=C(c1ccccc1Br)N(Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 9972136 KECUPNPBRBAMBF-HNNXBMFYSA-N 442.762 3.932 0 40 IHAB COc1ccc(C(=O)N2[C@H]3CCCC[C@@H]3NC(=O)[C@H]2CC(=O)Nc2cc(C)cc(C)c2)cc1 10075577 RJUCJJZVFJESCM-RJGXRXQPSA-N 449.551 3.593 0 40 IHAB CCOC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)c1 10441783 QHMDSJJZRJTQKV-UHFFFAOYSA-N 430.526 3.599 0 40 IHAB O=C1N[C@]2(CC[C@@H]3CN(C(=O)c4cc(-c5ccc(F)cc5)on4)C[C@@H]32)Nc2ccccc21 12086093 KAUREJNCXMDXSZ-SKDDIYDISA-N 432.455 3.515 0 40 IHAB COc1cc(CN2CCC(c3nc(O)cc(-c4cccnc4)n3)CC2)cc(OC)c1OC 12234351 XBSHZNHYSPMXSN-UHFFFAOYSA-N 436.512 3.650 0 40 IHAB CCOc1ccc(O[C@H](C)C(=O)N2CCC(c3nc(O)cc(-c4ccccn4)n3)CC2)cc1 12256494 CUBBFCPYKSBKDW-QGZVFWFLSA-N 448.523 3.816 0 40 IHAB O=S(=O)(c1ccc2oc(Nc3ccccc3C(F)(F)F)nc2c1)N1CCOCC1 12540711 GVVFETHCSAEIMV-UHFFFAOYSA-N 427.404 3.611 0 40 IHAB CC1CCN(c2ccc(N[C@@H](C)C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)cc2)CC1 12550789 MVAIBKXAZYUAQM-SFHVURJKSA-N 444.601 3.612 0 40 IHAB CCCc1cc(=O)[nH]c(S[C@@H]2CCCC[C@H]2NS(=O)(=O)c2ccc(Cl)cc2)n1 12566767 HDWBVWSIUCNEEP-IAGOWNOFSA-N 442.006 3.758 0 40 IHAB CC(C)Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C1CCCC1 12763667 YAFRNPXLMNPNKT-UHFFFAOYSA-N 436.603 3.582 0 40 IHAB Cc1noc(C)c1COc1ccc(CC(=O)NCC2(N3CCOCC3)CCCCC2)cc1 12846605 OEVCXJYJCMQVEY-UHFFFAOYSA-N 441.572 3.564 0 40 IHAB Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCc4ccccc43)CC2)c(C)c1 12921368 SHCHKZSIXCKESD-QFIPXVFZSA-N 426.582 3.816 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](C)c3cccc(Cl)c3)C2)s1 12982276 JSRYQVQCNDXVJJ-GDBMZVCRSA-N 426.991 3.988 0 40 IHAB CN(Cc1ccc2c(c1)OCCO2)C(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 13120666 HHIRLLAICNSWMU-UHFFFAOYSA-N 447.516 3.555 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(NC(=O)Cc2ccc(Br)cc2)ccc1C 13133715 RBEHTMPRTOFDRO-UHFFFAOYSA-N 439.375 3.969 0 40 IHAB Cc1cc(O[C@H](C)C(=O)NC2CCN(Cc3ccccc3)CC2)c2c(C)cc(=O)oc2c1 13555474 FLTGTKMCAXLARS-LJQANCHMSA-N 434.536 3.958 0 40 IHAB COCCn1c(SCC(=O)c2[nH]c(C)c(C(C)=O)c2C)nc2sc(C)c(C)c2c1=O 14095617 NCYTTWOUYFVNOL-UHFFFAOYSA-N 447.582 3.844 0 40 IHAB CCN1CCN(c2ccc(NC(=S)NC(=O)c3ccc(OCC(C)C)cc3)cc2)CC1 14271838 GIMCSHISWZDJSI-UHFFFAOYSA-N 440.613 3.990 0 40 IHAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 14398697 KAECBCCEZABERB-OAQYLSRUSA-N 432.542 3.666 0 40 IHAB COc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccc(F)cc3)c3ccccc32)cc1OC 16227191 ZROJTIFPBWVXCX-VWLOTQADSA-N 435.451 3.850 0 40 IHAB NS(=O)(=O)c1ccc(CCNCc2cccc(OCc3ccc(Cl)cc3)c2)cc1 16399553 YBXDUJTXSPHZEU-UHFFFAOYSA-N 430.957 3.899 0 40 IHAB C[C@H](NC(=O)Cn1c(-c2cscn2)nc2ccccc21)c1ccc(-n2cncn2)cc1 18159219 YJCFLGWSPFWKNU-HNNXBMFYSA-N 429.509 3.618 0 40 IHAB COc1cccc(-c2cc(C(=O)N[C@@H](Cc3cc(=O)[nH]c(C)n3)c3ccc(F)cc3)no2)c1 19285380 MJZZRLCJMSZBSL-FQEVSTJZSA-N 448.454 3.595 0 40 IHAB CCc1noc(C)c1C(=O)N1CC[C@](Cc2cccc(-c3ccc(F)cc3)c2)(C(N)=O)C1 19521182 UZVZLDCWIMDHDQ-RUZDIDTESA-N 435.499 3.912 0 40 IHAB CC(C)NC(=O)c1sc2ccccc2c1[C@@H]1CN(S(=O)(=O)c2ccccc2)CCO1 19697929 KNDGJIOGZZITFH-SFHVURJKSA-N 444.578 3.802 0 40 IHAB COc1ccccc1NC(=O)c1cnc([C@@H]2CCCCN2C(=O)c2cccnc2)nc1C 19753402 RPYVTIXSIOMFJK-FQEVSTJZSA-N 431.496 3.808 0 40 IHAB O=C(Nc1nccs1)c1cc([C@H]2CN(C(=O)c3ccccn3)CCO2)nc2ccccc12 19754080 HWLZRUHCXBOWNY-HXUWFJFHSA-N 445.504 3.552 0 40 IHAB CCOc1ccc(NC(=O)C2=C(C)c3cc(OC)c(OC)cc3N(CC)S2(=O)=O)cc1 20064042 ZRPUMHCXCJORFR-UHFFFAOYSA-N 446.525 3.642 0 40 IHAB O=c1c2nncn2c2cc(Cl)ccc2n1CCNc1ncc(C(F)(F)F)cc1Cl 20218970 KKGLDUAPEVVQAP-UHFFFAOYSA-N 443.216 3.877 0 40 IHAB CC/C(NCCc1c[nH]c2ccccc12)=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 20290724 NWFINYPYCGAOEM-CZIZESTLSA-N 436.899 3.901 0 40 IHAB CCCCN1C(=O)[C@@H](C(=O)OCC)[C@@H](c2ccc(O)c(OC)c2)n2c1nc1ccccc12 20675304 WFXBVQPFNPKRNQ-LEWJYISDSA-N 437.496 3.666 0 40 IHAB O=C(CCC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc2c(c1)OCCCO2 22025129 WFMSVSGXOZXODL-UHFFFAOYSA-N 442.943 3.809 0 40 IHAB O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N1CCCCC1 22274512 FPSQXXZYPRKECQ-UHFFFAOYSA-N 426.460 3.913 0 40 IHAB Fc1ccccc1[C@H](c1nnnn1Cc1ccccc1)N1CCN(C2CCCCC2)CC1 22929206 APFJSBYZPQULQS-XMMPIXPASA-N 434.563 3.900 0 40 IHAB COc1ccc(C)c2sc(N(CCCN3CCOCC3)C(=O)Cc3ccccc3)nc12 22997898 IYANOIDABOVFEH-UHFFFAOYSA-N 439.581 3.911 0 40 IHAB O=C(NCCCn1ccnc1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 23873314 PHMVPMUSNGODEA-UHFFFAOYSA-N 439.510 3.668 0 40 IHAB COc1cccc(NC(=O)COc2ccc(C(=O)OCc3noc(-c4ccco4)n3)cc2)c1 24044905 MOAIKZNNTKPAQU-UHFFFAOYSA-N 449.419 3.713 0 40 IHAB COc1ccc(-c2nc(NC(=O)[C@@H](C)NS(=O)(=O)c3ccccc3F)sc2C)cc1 24834166 QTKKVFANPDQFLV-GFCCVEGCSA-N 449.529 3.572 0 40 IHAB C[C@H]1Oc2ccc(NC(=O)c3cc(=O)c4cc(Br)ccc4o3)cc2NC1=O 28290733 TVWHPRRAIZENOZ-SECBINFHSA-N 429.226 3.527 0 40 IHAB O=C(Cn1c(SC(F)F)nc2ccccc21)NCc1ccccc1Cn1cccn1 28794500 PIJXNIXJFBDFQO-UHFFFAOYSA-N 427.480 3.912 0 40 IHAB CC(=O)Nc1ccc(OC[C@H](O)Cn2nc3c4c(cccc42)C(=O)c2ccccc2-3)cc1 30531284 AXKWPAVOPXWXFS-QGZVFWFLSA-N 427.460 3.646 0 40 IHAB COc1ccc(C)cc1NC(=O)C[C@H]1C(=O)N(Cc2cccnc2)c2nc3ccccc3n21 30902151 GEFFHEXNJVANFQ-NRFANRHFSA-N 441.491 3.865 0 40 IHAB O=C(NCCC(=O)N1CCN(Cc2ccc(F)cc2Cl)CC1)c1ccc(Cl)cc1 31786500 IHXOUTAGBMQOLI-UHFFFAOYSA-N 438.330 3.597 0 40 IHAB COc1ccc(OC)c(-n2cnc3cc(C(=O)N[C@@H](C)c4ccccc4)ccc3c2=O)c1 32088110 GZWSSOASPLRNTP-INIZCTEOSA-N 429.476 3.894 0 40 IHAB C[C@@H]1CCCC[C@@H]1N1C(=O)C(=O)N(CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1=O 32721623 DVLCBSMYNLUBGD-UZLBHIALSA-N 435.480 3.787 0 40 IHAB COc1cccc(C(N)=O)c1OCC(=O)N(Cc1ccco1)C12CC3CC(CC(C3)C1)C2 32958244 NIFJMPLKTWKJKB-UHFFFAOYSA-N 438.524 3.764 0 40 IHAB CC[C@@H](C)Oc1ccc(Cl)cc1/C=C1\NC(=O)N(Cc2ccc(C(=O)OC)o2)C1=O 33529794 SBXLAPUJJLAENZ-YUSFRKCESA-N 432.860 3.990 0 40 IHAB Cc1cccc(N2CCN([C@H](c3ccc(F)cc3)c3nnnn3Cc3ccco3)CC2)c1C 35291383 VAVXZWUNQAGQAW-XMMPIXPASA-N 446.530 3.982 0 40 IHAB Cc1ccccc1[C@H](CC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)NC(N)=O 40069612 DJXAUJSFZIYWGJ-VQTJNVASSA-N 428.602 3.745 0 40 IHAB Cc1cc(S(=O)(=O)NCC2CCN(C(=O)NC(C)(C)C)CC2)c(Cl)cc1Cl 43955988 DJOQQAHGWGQASQ-UHFFFAOYSA-N 436.405 3.800 0 40 IHAB CC[C@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2ccc(Br)cc2F)c1=O 44840158 QDUSUYHKTKZCBK-LBPRGKRZSA-N 448.292 3.675 0 40 IHAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Sc3ccccc3)cc2)n1 44947966 JTENCTAFJAFATH-HNNXBMFYSA-N 428.539 3.705 0 40 IHAB Cc1ccc(NC(=O)Cn2c(=O)n(Cc3ccccc3F)c(=O)c3sccc32)c(C)c1 57426747 WKOVSXMAYGWNIY-UHFFFAOYSA-N 437.496 3.668 0 40 IHAB CCCN1CCN(C(=O)c2cn(Cc3ccccc3)nc2-c2ccc(OC)c(OC)c2)CC1 58157261 BRUXLDJONNUTPW-UHFFFAOYSA-N 448.567 3.783 0 40 IHAB Cc1cc(C)c2c(OCC(=O)Nc3ccccc3C(=O)N3C[C@H](C)C[C@@H](C)C3)nn(C)c2n1 58296469 JEYUODBYQXGTKH-HZPDHXFCSA-N 449.555 3.721 0 40 IHAB O=C(Cc1noc2ccccc12)Nc1ccccc1N1CCN(CCc2ccncc2)CC1 60365681 WDDCMCDYJQSMOC-UHFFFAOYSA-N 441.535 3.769 0 40 IHAB COc1ccc(-c2cn(CC(=O)Nc3cccc(Cl)c3)nc2N2CCOCC2)cc1 62006915 ZESKQWSYMKOPNY-UHFFFAOYSA-N 426.904 3.687 0 40 IHAB CC(=O)N(c1nc2ccccc2n(CC(=O)Nc2cccc(F)c2)c1=O)C1CCCCC1 64987654 XWTVOSCKIOZLET-UHFFFAOYSA-N 436.487 3.860 0 40 IHAB COc1ccc(Cc2cc(C)nc([C@H]3CCCN(CC(=O)Nc4cn(C)nc4C)C3)c2)cc1 72354239 REPOPFABEAQJJU-QFIPXVFZSA-N 447.583 3.849 0 40 IHAB COC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](c3nc4ccccc4n3C(C)C)C2)cc1 79017756 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CN1c2ccccc2C(c2ccccc2)=C(C(=O)N2CCc3ccccc3C2)S1(=O)=O 219178048 QZAKGBLOQBZWPS-UHFFFAOYSA-N 430.529 3.811 0 40 IHAB Cc1ccc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)cc1C 219254291 DURAQFJMJOCFAA-GOSISDBHSA-N 432.561 3.862 0 40 IHAB Cc1ccc(C(=O)NCCSCc2ccccc2Cl)cc1N(C)S(C)(=O)=O 222449494 RVDYXBXMJNMMKQ-UHFFFAOYSA-N 426.991 3.707 0 40 IHAB O=C(NCc1ccc2ccccc2c1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 222822724 FPYYKUAXJOHSKY-UHFFFAOYSA-N 426.513 3.696 0 40 IHAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1F 222886312 HGLVGKZESZPNNS-XMMPIXPASA-N 434.511 3.763 0 40 IHAB CCc1ccc(CC)c(CNS(=O)(=O)c2nnc(NC(=O)c3cccc(C)c3)s2)c1 222929756 MQIQDXLQRAWHMU-UHFFFAOYSA-N 444.582 3.702 0 40 IHAB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(C(=O)O)cc1 223066952 FCNOZXSYVZZPIE-LEWJYISDSA-N 436.537 3.580 0 40 IHAB Cc1ccc(C)c(N(Cc2ccc(C(=O)NCCCOC(C)C)cc2)S(C)(=O)=O)c1 223325675 BIXJACYNFUVVAL-UHFFFAOYSA-N 432.586 3.815 0 40 IHAB Cc1ccc(C(=O)NCCOc2cccc(C)c2C)cc1S(=O)(=O)N1CCCCCC1 223925900 JPLBCDPAPBHRQX-UHFFFAOYSA-N 444.597 3.985 0 40 IHAB O=S(=O)(Cc1ccc(F)cc1)Nc1ccc(S(=O)(=O)Nc2ccccc2F)cc1 224550191 GQZORHJLOJMNFR-UHFFFAOYSA-N 438.477 3.708 0 40 IHAB COCc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(SC)cc3)CC2)c1 224635575 VXRXBYFRJNECLD-UHFFFAOYSA-N 434.583 3.594 0 40 IHAB Cc1nn(-c2ccccc2)c(Cl)c1CS(=O)(=O)[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C 245225314 RVHGGEZLSNNUJZ-IDHHARJASA-N 437.993 3.832 0 40 IHAB CCN1CCN(C(=O)c2ncccc2O)C[C@@H](Cc2ccccc2-c2ccc(C)cc2)C1=O 257220106 DJOLBIQRPJYTLB-JOCHJYFZSA-N 443.547 3.926 0 40 IHAB COc1ccc(Nc2cc(C)nc([C@H]3CCN(C(=O)CCn4nc(C)nc4C)C3)c2)cc1 257229601 FYSJLDWFRYPORO-IBGZPJMESA-N 434.544 3.757 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc3sncc3c2)C1 260737071 JSNZPKZDLQLBIB-HNNXBMFYSA-N 445.566 3.653 0 40 IHAB CC[C@H](NC(=O)[C@H](CC)N(c1ccc(F)cc1)S(C)(=O)=O)c1ccc(OC)c(C)c1 260740997 CJBVJSMKZYGRCK-PMACEKPBSA-N 436.549 3.955 0 40 IHAB CCOc1ccc(N(CC(=O)N[C@H](CC)c2ccc3c(c2)CCCC3)S(C)(=O)=O)cc1 260924508 IDYCOFBSWSZTGS-HSZRJFAPSA-N 444.597 3.998 0 40 IHAB CC(C)n1cnc([C@H]2CN(Cc3ccsc3)C[C@]23CCN(Cc2cccnc2)C3=O)c1 306140799 VEJQGDQBXYEMSN-ZJSXRUAMSA-N 435.597 3.939 0 40 IHAB CCN(CC)C(=O)C(=O)c1cn(CC(=O)NCc2c(F)cccc2Cl)c2ccccc12 408571965 QBYOGKCJIZOPDX-UHFFFAOYSA-N 443.906 3.801 0 40 IHAB CCOC(=O)C1=C(c2ccccc2)NC(=S)N[C@@H]1c1cc(Cl)c(OC)c(OC)c1 408612266 VCLCVUYVFZRGNS-GOSISDBHSA-N 432.929 3.850 0 40 IHAB CCCOC(=O)c1cccc(NC(=O)Cn2nc(COc3ccccc3)oc2=S)c1 409166206 CRELWSCNWCAHJV-UHFFFAOYSA-N 427.482 3.990 0 40 IHAB COc1ccc(/C=C2\SC(=O)N(CC(=O)NCC(C)C)C2=O)c2c(OC)cccc12 409200594 IRQVVCCWKCEPCT-ZDLGFXPLSA-N 428.510 3.666 0 40 IHAB Cc1ccccc1C(=O)N[C@@H](C)c1nnc(SCC(=O)Nc2ccccc2Cl)n1C 409329143 DAAJXGSMFJSVMW-AWEZNQCLSA-N 443.960 3.999 0 40 IHAB O=C(NC[C@@H](O)COc1ccc(C(F)(F)F)cc1)Nc1ccc(Oc2cccnc2)nc1 559965805 NZNJQVNHNLVYMZ-MRXNPFEDSA-N 448.401 3.849 0 40 IHAB COc1cccc(OC[C@@H](O)CN(C)Cc2ccc(OCc3c(C)noc3C)cc2)c1 585270336 VDRJZPJLUPXCCB-FQEVSTJZSA-N 426.513 3.751 0 40 IHAB CC(C)[C@H]1COc2ccccc2C(=O)N(C)CCCCN1S(=O)(=O)c1ccccc1F 643566285 GWUXJPCJDSLQAP-HXUWFJFHSA-N 448.560 3.786 0 40 IHAB COC(=O)c1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3F)C2)cc(F)c1Cl 1289696320 NJTFFFINAIPZBZ-SECBINFHSA-N 426.778 3.536 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(C)C)cc1Br 640095 GNCVIBLVKOXRPK-UHFFFAOYSA-N 441.347 3.644 0 40 IHAB CCCCNC(=O)c1c(N)n(-c2ccc(C(=O)OCC)cc2)c2nc3ccccc3nc12 2306378 JSTAUDKZILNSHK-UHFFFAOYSA-N 431.496 3.863 0 40 IHAB CC[C@H]1SC2=NC(C)=C(C(=O)OCC(C)C)[C@H](c3ccc(OC(C)=O)cc3)N2C1=O 2702451 IYNKROIZPBWORX-MJGOQNOKSA-N 430.526 3.850 0 40 IHAB COc1cccc(N(CCN2C(=O)c3ccccc3C2=O)C(=O)c2ccccc2OC)c1 3223931 FRHPWVOOSAVOCZ-UHFFFAOYSA-N 430.460 3.647 0 40 IHAB O=C(CCCC(=O)N(CC(=O)NC1CCCCC1)Cc1ccccc1)Nc1ccccn1 8671461 SQNCIZRLBFFAQA-UHFFFAOYSA-N 436.556 3.668 0 40 IHAB CCOC(=O)[C@H]1Sc2nc(O)sc2[C@@H](c2ccc(Cl)cc2)[C@H]1C(=O)OCC 8763284 HFMIUQYLOXFQDO-SCRDCRAPSA-N 427.931 3.851 0 40 IHAB CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)C(=O)/C=C/C(=O)O 8861899 BNVANBCBMOUOQJ-VAWYXSNFSA-N 440.297 3.901 0 40 IHAB COc1cccc(C(=O)CSc2nnc([C@H](C)NC(=O)c3ccc(Cl)cc3)n2C)c1 9095795 GKWKKKZHOAEGGI-ZDUSSCGKSA-N 444.944 3.943 0 40 IHAB C[C@@H](Oc1ccc2c(C(F)(F)F)cc(=O)oc2c1)C(=O)NCc1ccc2c(c1)OCO2 9223896 XQWNTGFRLREOLB-LLVKDONJSA-N 435.354 3.624 0 40 IHAB COC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3cccc(F)c3)c(OC)c2)C1=O 9261137 RVBKXDYBCAWGRZ-VCHYOVAHSA-N 431.441 3.623 0 40 IHAB CC(=O)Nc1ccc(NC(=O)CSc2nnc(COc3ccc(C)cc3C)n2C)cc1 9263850 WBZAGJLDOGIDPE-UHFFFAOYSA-N 439.541 3.700 0 40 IHAB CCOC(=O)C1=C(NC(=O)CSc2nnc(-c3ccoc3C)o2)S[C@H]2CCCC[C@H]12 9289662 ZZVAWFAOYSABCI-KBPBESRZSA-N 449.554 3.927 0 40 IHAB COc1ccc(C)cc1NC(=O)COC(=O)c1ccccc1SCC(=O)N1CCCC1 9351240 MNKQFXCRCVDKAU-UHFFFAOYSA-N 442.537 3.514 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1F)c1ccccc1 9356522 BQPMRWWKFQMSCJ-UHFFFAOYSA-N 428.441 3.650 0 40 IHAB CCOc1ccccc1[C@@H]1CC(c2ccccc2NS(C)(=O)=O)=NN1C(=O)C(C)C 9378573 OOGFJWVBUMWZSB-FQEVSTJZSA-N 429.542 3.791 0 40 IHAB Cc1ccc(CN(C(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)[C@H]2CCS(=O)(=O)C2)o1 9431344 DFCVOSRMQKVGRJ-HOTGVXAUSA-N 425.934 3.533 0 40 IHAB Cn1c(=O)n(C/C=C/c2ccccc2)c(=O)c2c1nc1n2CCCN1c1cccc(Cl)c1 9519176 CPYUPOWGOYVOEM-UXBLZVDNSA-N 447.926 3.805 0 40 IHAB Cc1ccc(-n2c(SCC(=O)NC(=O)NC(C)(C)C)nnc2-c2ccncc2)cc1C 9587251 DJQDVIIUBNNAQK-UHFFFAOYSA-N 438.557 3.663 0 40 IHAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccccc1Oc1ccccc1 9632511 JNYFZOYXBXCSJQ-UHFFFAOYSA-N 426.494 3.990 0 40 IHAB Cc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4cccc(Cl)c4C)[C@H]3C2=O)cc1Cl 9748654 RMWSXCFYCONVBX-ZWKOTPCHSA-N 446.294 3.542 0 40 IHAB CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=O)N2C2CCCC2)cc1 9934054 ICDCRYXATDQXKX-NRFANRHFSA-N 449.507 3.972 0 40 IHAB COc1cccc(N2CCN(C(=O)C[C@@H](NC(=O)c3ccccc3)c3ccccc3)CC2)c1 9950879 SMFLISLEWSRCDS-RUZDIDTESA-N 443.547 3.905 0 40 IHAB COc1ccc(N([C@@H](C)C(=O)Nc2cc(Cl)ccc2OC)S(C)(=O)=O)cc1Cl 10332901 ZYASJUQFSUQRIK-NSHDSACASA-N 447.340 3.804 0 40 IHAB COc1ccc(S(=O)(=O)Nc2nc(C(=O)NCc3ccc(Cl)cc3)cs2)cc1 11693240 JNLHUZDOQAPACY-UHFFFAOYSA-N 437.930 3.536 0 40 IHAB CC(C)c1ccccc1NC(=O)[C@H](C)N1CCC(NS(=O)(=O)c2cccs2)CC1 11719659 QOVODGZVULDNIG-INIZCTEOSA-N 435.615 3.641 0 40 IHAB COc1ccc(-c2ccc(=O)n(CC3CCN(C(=O)c4c(F)cccc4F)CC3)n2)cc1 12142678 IAQSZDUPCDCTOJ-UHFFFAOYSA-N 439.462 3.750 0 40 IHAB COc1ccc(C(=O)N2CCN(c3cc(Oc4ccccc4)nc(C)n3)CC2)cc1OC 12223791 YYNGCYHGTXDNHP-UHFFFAOYSA-N 434.496 3.557 0 40 IHAB COc1ccc([C@H]2CCCN2CC(=O)NC2CCN(Cc3ccccc3)CC2)c(OC)c1 12796479 ZJPPRXSDTXOVTM-XMMPIXPASA-N 437.584 3.622 0 40 IHAB O=C(NC1CC1)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1 13007149 VNFDOKWXSADPTK-ZYTNRUGMSA-N 435.568 3.725 0 40 IHAB CCn1c(SCc2cccnc2)nnc1[C@@H]1CCCN(C(=O)C2CCC(OC)CC2)C1 13565207 QATOTXIRZGFNRX-IOJLRTSASA-N 443.617 3.897 0 40 IHAB CCc1c(C)sc2ncn(C3CCN(C(=O)c4cc(C(C)(C)C)nn4C)CC3)c(=O)c12 13566346 HFCKFIMCRYMHRT-UHFFFAOYSA-N 441.601 3.837 0 40 IHAB CC[C@H](C(=O)Nc1ccccc1C(=O)NC(C)(C)C)N(c1ccc(C)cc1)S(C)(=O)=O 13686222 JJHJGWUZGFFDMA-HXUWFJFHSA-N 445.585 3.707 0 40 IHAB Cc1cccc2sc(N(Cc3ccccc3)C(=O)[C@@H]3CCCN(S(C)(=O)=O)C3)nc12 13790878 GQLRRGKXUBPYPR-GOSISDBHSA-N 443.594 3.810 0 40 IHAB CN(C[C@H]1COc2ccccc2O1)C(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 14161338 UHSCXSRJOSKKHH-FQEVSTJZSA-N 426.476 3.846 0 40 IHAB CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)[C@H]2COc3ccccc3C2)cc1 16962781 TZTNBKUBBHWLTL-GOSISDBHSA-N 428.554 3.830 0 40 IHAB COc1cccc([C@@H]2S[C@H](C)C(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)c1OC 17197886 SXTOFQVIWKMJNX-CMJOXMDJSA-N 439.537 3.669 0 40 IHAB CC(C)c1nc(N2CCC(NC(=O)C[C@H](C)n3cccn3)CC2)ncc1-c1ccncc1 19451601 XWSUBVIJXWRUPE-SFHVURJKSA-N 433.560 3.595 0 40 IHAB Cc1cc(C)cc(-c2ccc(C[C@H]3CN(C(=O)c4cnccn4)CCN(C)C3=O)cc2)c1 19569848 QLFLDBGFJWMFAU-QHCPKHFHSA-N 428.536 3.534 0 40 IHAB Nc1n[nH]c2nc([C@H]3CCCCN3C(=O)COc3ccc(F)cc3)cc(C(F)(F)F)c12 19695526 UGQSPWGMHXPZLI-OAHLLOKOSA-N 437.397 3.831 0 40 IHAB Cc1ncc(C(=O)NCc2ccccc2)c([C@@H]2CCCN2CC(=O)Nc2ccc(F)cc2)n1 19766651 LQYVUUSKDUCCCM-QFIPXVFZSA-N 447.514 3.630 0 40 IHAB Cc1ccc(CCCNC(=O)[C@H]2CCCN(S(=O)(=O)Cc3cccc(Cl)c3)C2)cc1 19866407 VGZBRJNAYADDLN-NRFANRHFSA-N 449.016 3.939 0 40 IHAB COc1ccc([C@@H](CC(C)C)NS(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)cc1 20486282 ZUXVBVQPZRHRPO-HXUWFJFHSA-N 446.569 3.896 0 40 IHAB O=C(N[C@@]1(C(F)(F)F)N=C(c2ccccc2)N(CCc2ccccc2)C1=O)c1ccco1 20522093 SBQZSGKSNUNZQB-QFIPXVFZSA-N 441.409 3.800 0 40 IHAB CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(OC)cc2OC)cc1OC 21595674 JXDOWENKVQUAGY-UHFFFAOYSA-N 445.541 3.968 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCC(C)C)c2cccc(C(F)(F)F)c2)cc1 22276743 PIWYJEHXRHYUCS-UHFFFAOYSA-N 428.476 3.981 0 40 IHAB CCc1ccccc1N1C[C@@H](C(=O)NCc2cc(Cl)c3c(c2)OCCCO3)CC1=O 24323960 XTKXHVNVYFZOSF-KRWDZBQOSA-N 428.916 3.733 0 40 IHAB CCCNc1nnc(SCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)s1 26618051 BZRHKDHHRXSFNE-HNNXBMFYSA-N 434.587 3.977 0 40 IHAB Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)[C@H]2Cc3cc(Cl)ccc3O2)c1C 29763607 VLHLLVRELGHIBO-SIKLNZKXSA-N 442.943 3.907 0 40 IHAB O=C(/C=C/c1ccc(Br)s1)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 32721791 OXVLHCIXTDBJFD-FVOPLDGLSA-N 446.413 3.801 0 40 IHAB Cc1cccc(-c2nnc([C@H](C)N3CCC(NS(=O)(=O)c4ccccc4)CC3)o2)c1 32879622 DWHINNYYMVIKQX-KRWDZBQOSA-N 426.542 3.549 0 40 IHAB O=C(NCc1ccc(-c2nc3ccccc3s2)o1)c1cccc(CN2C(=O)CNC2=O)c1 32901036 UZQLAMOQNVFYDO-UHFFFAOYSA-N 446.488 3.538 0 40 IHAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)O[C@H](C)c1nc4sc(C)c(C)c4c(=O)[nH]1)(C3)C2 32957586 CRPZKIYZVCATHT-XNYRWGCRSA-N 443.569 3.681 0 40 IHAB CCOC(=O)Cc1csc(NC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@@H]2c2ccccc2)n1 36360683 KAPSCCONFHDGEW-LEWJYISDSA-N 449.532 3.798 0 40 IHAB COc1ccc2[nH]cc(CCN3C(=O)[C@@H](CCC(=O)Nc4cc(C)cc(C)c4)N=C3O)c2c1 36596326 FTQSFYSYKAJJSV-JOCHJYFZSA-N 448.523 3.880 0 40 IHAB biogenic C[C@@H](SCc1ccccc1)C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 40144438 FXEOHLJWELKSKF-MRXNPFEDSA-N 426.538 3.914 0 40 IHAB CC(=O)c1ccc(NC(=O)Cn2c3ccccc3n3c(=O)cc(-c4ccccn4)nc23)cc1 40485187 BVVIQDWCKGURPC-UHFFFAOYSA-N 437.459 3.553 0 40 IHAB COc1ccc(-n2c(SCC(=O)Nc3ccccc3)nc3[nH]ncc3c2=O)cc1Cl 51316556 IARMQBWINUJGIA-UHFFFAOYSA-N 441.900 3.502 0 40 IHAB CCCCOc1ccc(C(=O)NCC(=O)N2CCC[C@H]2c2nc3ccccc3n2C)cc1 58313877 NVADDKYMGHMQET-QFIPXVFZSA-N 434.540 3.846 0 40 IHAB O=C(COc1ccc(Cl)cc1Cl)N1N=C(C(F)(F)F)C[C@]1(O)C(F)(F)F 59192183 LDNQPZZPGZFHAA-NSHDSACASA-N 425.112 3.774 0 40 IHAB CCCCn1c(SCC(=O)N2CCOc3ccc(C)cc32)nc2cc(C)[nH]c2c1=O 67238482 BLRVWGPDLVJTND-UHFFFAOYSA-N 426.542 3.659 0 40 IHAB CN(C)S(=O)(=O)c1cccc(-c2nnc(C3(c4ccc(Cl)cc4)CCOCC3)o2)c1 71889783 RYNNTOZXBASQIS-UHFFFAOYSA-N 447.944 3.737 0 40 IHAB CC(=O)Nc1cc(NC(=O)NC[C@H]2[C@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)ccc1C 72314445 FIRCOTVNRJEDPO-KSSFIOAISA-N 434.537 3.835 0 40 IHAB CNC(=O)[C@@]1(Cc2ccc(-c3ccc(F)cc3)cc2)CN(C(=O)c2ccccc2)CCO1 72389296 QXRNGGWHPDVPIS-AREMUKBSSA-N 432.495 3.693 0 40 IHAB O=C(CCCSc1ccc(Cl)cc1)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 79070798 WKOUHFQHYIKPSP-UHFFFAOYSA-N 444.928 3.643 0 40 IHAB CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](N(Cc2ccccc2)C(=O)OCc2ccccc2)C1 85223609 SBNLGJLMZOOKSR-SFTDATJTSA-N 426.513 3.806 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COc1cccc(C)c1C 89267820 FUHRETGHVAJJNP-UHFFFAOYSA-N 446.569 3.894 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(N3CCCC3)c(NC(=O)c3ccco3)c2)cc1 89453605 MORVVQHVLAZZAH-UHFFFAOYSA-N 441.509 3.942 0 40 IHAB COC(=O)c1cc(CNc2ccc(Br)c(I)c2)c[nH]1 95997193 HSTYXVOGBSWSFK-UHFFFAOYSA-N 435.059 3.781 0 40 IHAB CCc1ccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)C(=O)c2ccccc2)cc1 100396420 NSUNHNZFLSVMNS-QALHXSLCSA-N 426.516 3.906 0 40 IHAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1CN(C(=O)c1ccccc1Cl)c1ccccc1 100396509 QQWSKVWZFKXLED-FSJYGBLLSA-N 432.907 3.997 0 40 IHAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@H](OC(C)=O)[C@](O)(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 118932130 CDKRMWAXMJVXDE-PVGGLHBQSA-N 432.557 3.743 0 40 IHAB CC[C@H](C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)N(c1ccc(F)cc1)S(C)(=O)=O 219114595 OPZVUHJPMXORFQ-RTBURBONSA-N 434.533 3.789 0 40 IHAB Cc1ccc(OC[C@H](C)NC(=O)COc2ccc(I)cc2)cc1 219835902 RCSCZEICAWVDHA-AWEZNQCLSA-N 425.266 3.562 0 40 IHAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1F 222555246 JHFYNJAKCYTBPE-UWJYYQICSA-N 430.520 3.935 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc(OC)ccc3OC)cc2)cc1 223981172 VGTPGMYPVGTDJZ-UHFFFAOYSA-N 442.493 3.766 0 40 IHAB COc1ccc(OC)c(CNC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)c1 224494353 OBRHSEWCTOFRGM-UHFFFAOYSA-N 446.550 3.520 0 40 IHAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCc2ccc(F)cc2)cc1OC 225129251 RSHULQWTOKFPHR-HKWRFOASSA-N 438.455 3.566 0 40 IHAB O=S(=O)(NC1CCN(c2ncnc3c2CCCC3)CC1)c1cc(Cl)ccc1Cl 245174021 YGNFSOLBSLVZPA-UHFFFAOYSA-N 441.384 3.610 0 40 IHAB Cc1ccc(CN2C(=O)[C@@H]3[C@@H](c4ccccc4)[C@H]4C=C[C@@]3(O4)[C@H]2C(=O)NC2CCCC2)cc1 245227873 XCVNSRUWIFGCQF-QTDWVDHPSA-N 442.559 3.872 0 40 IHAB Cc1cc(C(=O)N2CCCC[C@@H]2CCNC(=O)c2ccccc2)nc(N2CCCCC2)n1 257209100 BOYWFGVONWHQQV-OAQYLSRUSA-N 435.572 3.590 0 40 IHAB Cc1nc(Nc2cccc([C@H]3CN(C(=O)CCc4c(C)n[nH]c4C)CCO3)n2)sc1C 257302539 SDGTZFLQMNKBTN-LJQANCHMSA-N 440.573 3.771 0 40 IHAB O=S(=O)(c1c(F)cccc1F)N(CCn1ccc(-c2ccncc2)n1)C1CCCC1 390826914 RGAWFDBVTZYWHC-UHFFFAOYSA-N 432.496 3.857 0 40 IHAB Cc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(C)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 409057428 PVOWQMRARWMRJT-WSBKAMHLSA-O 432.931 3.973 0 40 IHAB Cc1ccc(C(=O)N[C@H](CC(=O)Nc2ccc3oc(=O)n(C)c3c2)c2ccccc2)cc1 517935294 RASWSVCKEAPDKP-HXUWFJFHSA-N 429.476 3.940 0 40 IHAB C[C@H]1C(=O)Nc2cc(C(=O)Nc3ccn(-c4cccc(C(F)(F)F)c4)n3)ccc2N1C 541228031 VGQUHWCGLQKWNF-LBPRGKRZSA-N 429.402 3.920 0 40 IHAB CCOC(=O)[C@H]1CN(C(=O)OCc2ccccc2)CC12CCN(C(=O)OC(C)(C)C)CC2 575444721 CNUWRBHXJWNHMW-LJQANCHMSA-N 446.544 3.835 0 40 IHAB CCN1CCCCN(C(=O)c2cn(C)nc2C)[C@@H](CC(C)C)COc2ccccc2C1=O 643584711 VOLXXGJLVHTBSL-FQEVSTJZSA-N 440.588 3.920 0 40 IHAB CN(C)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccco2)cc1 779435 GJSUKAVNKQPIIE-UHFFFAOYSA-N 434.521 3.835 0 40 IHAB COc1ccc(CCNC(=O)c2sc3nc(-c4cccnc4)ccc3c2N)cc1OC 2450750 AUCGMZRXCHCRLZ-UHFFFAOYSA-N 434.521 3.930 0 40 IHAB COc1ccc(-n2nc3c(c2NC(=O)c2cc(OC)c(OC)c(OC)c2)CSC3)cc1 2474927 BKPRWYFPDDNGLZ-UHFFFAOYSA-N 441.509 3.906 0 40 IHAB Nn1c(SCC(=O)Nc2ccc(OC(F)F)cc2)nnc1-c1ccc(Cl)cc1 3302077 FFRCVNFDQQUMMW-UHFFFAOYSA-N 425.848 3.645 0 40 IHAB Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1NC(=O)c1ccco1 3488107 WJELRDPJLISYAP-CQSZACIVSA-N 436.420 3.753 0 40 IHAB COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)NC2CCCCC2)c(OC)c1 5151512 BCONHDFCOSPNHQ-SDUSCBPUSA-N 430.589 3.821 0 40 IHAB CC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1 8386083 XTIFCIAIEQQTGH-UHFFFAOYSA-N 441.365 3.953 0 40 IHAB O=C(CSc1nnnn1-c1ccc(O)cc1)c1ccc(NC(=O)c2ccccc2)cc1 8965731 GKFHMXRNZLSQLD-UHFFFAOYSA-N 431.477 3.595 0 40 IHAB CC(C)(C)c1cc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)on1 9222737 MDKJYPBIYPHYIQ-UHFFFAOYSA-N 427.526 3.802 0 40 IHAB Cc1cccc(-c2noc(CN(C(=O)CCCN3C(=O)c4ccccc4C3=O)C(C)C)n2)c1 9227097 LNWSFVFTLPXAGM-UHFFFAOYSA-N 446.507 3.858 0 40 IHAB O=C(O)CCCC(=O)Nc1ccc(Br)cc1-c1nc2ccccc2nc1O 9260561 LZXNOGUAKNIQJO-UHFFFAOYSA-N 430.258 3.958 0 40 IHAB COc1ccc(C(=O)CSc2nnc(CNC(=O)c3ccccc3F)n2C(C)C)cc1 9263995 UEKBEUYYESQINB-UHFFFAOYSA-N 442.516 3.912 0 40 IHAB CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)c2c(NC(=O)C3CCCC3)scc12 9381463 KVAFNZMIAMVRBQ-UHFFFAOYSA-N 429.473 3.892 0 40 IHAB CCc1ccc(NC(=O)CSc2nc3nccnc3c(=O)n2Cc2ccc(C)cc2)cc1 9405377 MQVXWUUTQSWKMI-UHFFFAOYSA-N 445.548 3.836 0 40 IHAB Cc1ccccc1Nc1nc(N)nc(COC(=O)c2csc(NCCC(C)C)n2)n1 9669471 RLJLNMVZZHHSFA-UHFFFAOYSA-N 427.534 3.777 0 40 IHAB C[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccc(/C=C/c3ccccn3)c2)C1=O 9672433 IZBSOIMFWUUUBS-AKNQKSQZSA-N 426.476 3.658 0 40 IHAB Cc1c(NS(C)(=O)=O)cccc1C(=O)Nc1ccccc1C(=O)NCc1ccccc1 10314181 RQJKFDGPSNZYID-UHFFFAOYSA-N 437.521 3.549 0 40 IHAB O=C(c1ccccc1OS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)N1CCOCC1 10761814 XNGJKPHCEOIYAC-UHFFFAOYSA-N 449.834 3.599 0 40 IHAB COC(=O)C[C@@H](NC(=O)c1cc2c(C)nn(C)c2s1)c1ccc(Br)cc1 11670521 LMOWRBYRDWVQLF-CQSZACIVSA-N 436.331 3.740 0 40 IHAB Cc1cc(C(F)(F)F)n2nc([C@@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)cc2n1 12257581 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COc1ccc(C)cc1NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccccc1 16290986 ZMFUFARXFMNUSE-UHFFFAOYSA-N 438.549 3.876 0 40 IHAB C[C@@H]1S[C@]2(C(=O)Nc3ccccc32)N(c2ccc(C(=O)NCc3ccccc3)cc2)C1=O 16608208 GVQWJQUIHKMDJM-IVCQMTBJSA-N 443.528 3.890 0 40 IHAB Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2Cc3ccccc3CN2)c(C)c1 17056861 LTPSFSITJKQBID-RPBOFIJWSA-N 427.548 3.684 0 40 IHAB CCC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2cc3ccccc3o2)CC1 17100478 MCFUQKNHELBPKH-UHFFFAOYSA-N 436.537 3.618 0 40 IHAB COc1cn(CC(=O)Nc2ccccc2C(F)(F)F)c(CN2CCC(C)CC2)cc1=O 17246029 LTNOCJYKURRAES-UHFFFAOYSA-N 437.462 3.746 0 40 IHAB CC(C)C(=O)N1CCC(c2nc(O)cc([C@H]3CCCN(C(=O)[C@H]4CC=CCC4)C3)n2)CC1 19085254 ZCBDAZIQPZBEIM-PMACEKPBSA-N 440.588 3.607 0 40 IHAB COc1ccc2cc(C(=O)N3CCCC[C@@H]3c3nc(O)c4c(n3)CN(C(C)C)CC4)[nH]c2c1 19448361 ZJXVNPKFWGGEFS-JOCHJYFZSA-N 449.555 3.806 0 40 IHAB CCCc1ncc(CN2CCC([C@H]3C[C@H](C(=O)Nc4ccc(F)cc4)CN3C)CC2)cn1 19525737 HNRAOESWOAWKRT-NZQKXSOJSA-N 439.579 3.739 0 40 IHAB 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O=C(c1ccccc1)[C@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]2[C@H]2CCCN21 9510429 CZLNOORALBDGNW-KLICCBINSA-N 429.303 3.829 0 40 IHAB CCn1c(CNC(=O)c2ccccc2C)nnc1SCC(=O)N[C@@H](C)c1ccccc1 9601259 OYBFCNBKFBQHEP-KRWDZBQOSA-N 437.569 3.506 0 40 IHAB NC(=O)c1oc2ccccc2c1NC(=O)c1ccccc1NS(=O)(=O)c1ccccc1 9714695 HTSIWMGSYIDWBN-UHFFFAOYSA-N 435.461 3.585 0 40 IHAB Cc1cccc(-n2ccnc2SCC(=O)Nc2sc3c(c2C(N)=O)CCC3)c1C 9731698 CFAVWCVKDKEOOY-UHFFFAOYSA-N 426.567 3.869 0 40 IHAB COc1ccc2cc([C@]3(C)NC(=O)N(CC(=O)N4CCCc5ccccc54)C3=O)ccc2c1 9792243 GFCFZIWQUWEQQJ-SANMLTNESA-N 443.503 3.595 0 40 IHAB O=C(NCCc1ccc(Cl)cc1)c1ccc2c(=O)n(CCc3ccccc3)c(=O)[nH]c2c1 9936184 UNLVCRBBPZXQNY-UHFFFAOYSA-N 447.922 3.558 0 40 IHAB COc1cc(CC(=O)N[C@@H](CCSC)c2nc3ccccc3[nH]2)cc(OC)c1OC 9982062 YPAKXTHKUWCHLU-KRWDZBQOSA-N 429.542 3.742 0 40 IHAB CCOC(=O)N1CCN([C@H](C(=O)O)c2c[nH]c3ccc(OCc4ccccc4)cc23)CC1 12407582 BMSREMXKTWEQPT-QFIPXVFZSA-N 437.496 3.647 0 40 IHAB COc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CCCC[C@@H]3C)cc2c1 12469547 CPEBGTAZKBMUOX-GAJHUEQPSA-N 444.539 3.535 0 40 IHAB Cn1ccnc1[C@H](NC(=O)CNC(=O)c1ccc(Cl)cc1Cl)c1ccc(F)cc1 12578245 WFHISSOHKQRKJF-GOSISDBHSA-N 435.286 3.502 0 40 IHAB CC(C)(C)NC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)c1csnn1 12638070 DXAVFKHKZFTQOR-IBGZPJMESA-N 426.517 3.976 0 40 IHAB CC(C)(C)NC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)c1csnn1 12638078 DXAVFKHKZFTQOR-LJQANCHMSA-N 426.517 3.976 0 40 IHAB Cc1noc(-c2ccc(C(=O)OCCCOC(=O)c3ccc(-c4nc(C)no4)cc3)cc2)n1 12782669 GFOUVOSSZYZHLY-UHFFFAOYSA-N 448.435 3.807 0 40 IHAB O=C(CSc1nc(-c2cccs2)nc2ccccc12)N1CCN(c2ncccn2)CC1 13128323 DOGMTKSAGLUZQY-UHFFFAOYSA-N 448.577 3.589 0 40 IHAB CCOc1ccccc1N(CC(=O)NC(C)(C)CC)C(=O)CCC(=O)Nc1ccccn1 13501480 KKVKJWGMZWDZHV-UHFFFAOYSA-N 440.544 3.537 0 40 IHAB CCOC(=O)[C@@H]1CCCN(c2ccc(NCc3cc4cc5c(cc4[nH]c3=O)OCO5)cc2)C1 13563104 OVROFUVAOWESRV-MRXNPFEDSA-N 449.507 3.648 0 40 IHAB C[C@H](SC(=S)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)C(=O)Nc1ccccc1Cl 13572511 ZAXUJUWHEXELPG-ZNMIVQPWSA-N 448.013 3.966 0 40 IHAB Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3Cl)CC2)c(C)c1 13880139 LGHWEJWVYLVASZ-UHFFFAOYSA-N 434.989 3.982 0 40 IHAB CCn1c(CC(=O)Nc2ccc(C)cc2C)nnc1SCC(=O)NCc1ccccc1 13956289 IBAAUFSFZWZOKZ-UHFFFAOYSA-N 437.569 3.505 0 40 IHAB C[C@]1(c2ccccc2Br)NC(=O)N(Cc2nnc(-c3cccs3)o2)C1=O 14233008 OXILVBMTYYNNOA-QGZVFWFLSA-N 433.287 3.528 0 40 IHAB CN1C(=O)C(=O)N(Cc2ccc(C(=O)Nc3cccc(Oc4ccccc4)c3)cc2)C1=O 14246519 GYGBMIXERJNSST-UHFFFAOYSA-N 429.432 3.652 0 40 IHAB CCCCOC(=O)c1ccc(N2CC3=C(C2=O)[C@H](c2ccc(OC)cc2)NC(=O)N3C)cc1 15108315 QPGFFLCDCBISAB-QFIPXVFZSA-N 449.507 3.649 0 40 IHAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(S(=O)(=O)N(C)C(C)C)cc1 15611876 WLTSPHGLCSKWSE-JOCHJYFZSA-N 441.553 3.618 0 40 IHAB CCCc1nnc(-c2cc3ccccc3n2CC(=O)N2CCN(c3ccccc3)CC2)o1 15881426 YRSZQHOPCWTWNV-UHFFFAOYSA-N 429.524 3.993 0 40 IHAB Cc1nc(-c2cccc(Br)c2)ccc1C(=O)Nc1ccc(S(N)(=O)=O)cc1 16201744 LXJFOLCZHWGXAN-UHFFFAOYSA-N 446.326 3.719 0 40 IHAB CCCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3cc(C)c(C)cc3C)ccc21 17286941 JCMDRKQSTGRLRE-UHFFFAOYSA-N 436.599 3.905 0 40 IHAB Cc1ccc(S(=O)(=O)N2C[C@H]3C[C@H](NC(=O)c4ccc5[nH]c(C)c(C)c5c4)[C@H]3C2)cc1 19211859 DGRNFVASCRMJLI-JZWVFAODSA-N 437.565 3.532 0 40 IHAB Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)Oc2ccc(F)cc2)cc(=O)[nH]1 19240945 SPOMRHLZUJQLJU-QKKBWIMNSA-N 434.471 3.566 0 40 IHAB O=C(C1CCCCC1)N1CCC[C@H](c2nc3c(c(=O)[nH]2)CN(Cc2cccs2)CC3)C1 19343619 BNPPJQJOSRLTJN-SFHVURJKSA-N 440.613 3.676 0 40 IHAB CCCC(=O)N1CCc2nc([C@H]3CCCN(Cc4ccc(C(C)C)cc4)C3)[nH]c(=O)c2C1 19501585 MJKNNFIUKLMBID-NRFANRHFSA-N 436.600 3.958 0 40 IHAB CCCN1CCN(C(=O)c2ccnn2C)C[C@H](Cc2ccccc2-c2ccccc2)C1=O 19503214 QAOZTLRZMLUMOK-QFIPXVFZSA-N 430.552 3.640 0 40 IHAB CCc1nnsc1C(=O)N1CC[C@](Cc2cccc(-c3ccc(C)cc3)c2)(C(=O)NC)C1 19521840 OCNXKMPVBKKBME-RUZDIDTESA-N 448.592 3.897 0 40 IHAB COc1ccc(F)cc1-c1ccccc1CC1(C(=O)N2CCC[C@H](O)C2)CCOCC1 19561785 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CCc1nc2sc([C@@H](c3cccc(Cl)c3)N3CCC4(CC3)OCCO4)c(O)n2n1 22854044 DHZVWPRUDCMESC-MRXNPFEDSA-N 434.949 3.641 0 40 IHAB COc1ccc(C)cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 24607275 DFTDYBUILSBDRH-UHFFFAOYSA-N 436.961 3.838 0 40 IHAB O=C1CN(C(=O)CSc2nccn2-c2ccccc2)c2ccc(C(F)(F)F)cc2N1 24716038 VIQNUWIXJROBCH-UHFFFAOYSA-N 432.427 3.969 0 40 IHAB C[C@@H](OC(=O)Cn1cnc2sccc2c1=O)C(=O)Nc1ccccc1-c1ccccc1 25073076 VANQPRLFGDLOQM-OAHLLOKOSA-N 433.489 3.695 0 40 IHAB O=C(Nc1cccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1)[C@H]1CCCO1 25807185 MKPQUVSMFCBCGO-IFMALSPDSA-N 436.508 3.943 0 40 IHAB CSc1ccc(S(=O)(=O)NCCc2ccccc2)cc1C(=O)N1CCC(C)CC1 26118130 DNQOXRJTTYKNQN-UHFFFAOYSA-N 432.611 3.802 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(NC(=S)Nc2ccc(OC)c(OC)c2)c(C)c1 27232067 UKSYIEGHMQVEBA-UHFFFAOYSA-N 437.587 3.852 0 40 IHAB O=C1C(=O)N(CN2CCc3sccc3[C@@H]2c2ccccc2)C(=O)N1Cc1cccs1 27531817 HLJGSBDKBIOZQM-IBGZPJMESA-N 437.546 3.706 0 40 IHAB CN(Cc1ccc(Br)cc1)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl 29167847 ADQXMMRICYEBKT-UHFFFAOYSA-N 445.766 3.625 0 40 IHAB O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)c1ccccc1C(=O)c1ccc(F)cc1 30014963 ZQXFZZGLIYUTTC-JOCHJYFZSA-N 432.495 3.688 0 40 IHAB COc1ccc(OC)c(CN2CCN(C(=O)/C=C/c3ccc(Br)cc3)CC2)c1 30107982 KZTCVBCNUUKYMK-BJMVGYQFSA-N 445.357 3.824 0 40 IHAB O=S1(=O)C[C@H]2N=C(SCc3ccc(Cl)cc3)N(c3ccc(F)cc3F)[C@@H]2C1 32639692 BSNBFSHRGXFMEM-NVXWUHKLSA-N 428.913 3.893 0 40 IHAB COc1cccc(NC(=O)[C@H](NC2CCN(C(=O)c3ccco3)CC2)c2ccccc2)c1 32899559 CGDLWDRFCPPEGW-HSZRJFAPSA-N 433.508 3.862 0 40 IHAB O=C(CCn1ccnc1)Nc1cccc(NC(=O)c2ccc(OCC(F)(F)F)nc2)c1 32935154 AJTRPORLNXYLJW-UHFFFAOYSA-N 433.390 3.500 0 40 IHAB COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)OCc2cc(=O)oc3c(C)c(C)ccc23)cc1 32957567 QYENUWQIXCQUJS-FWVUHSSSSA-N 435.476 3.680 0 40 IHAB CCCn1ncc2c(C(=O)N3CCN(Cc4c(C)nn(CC)c4C)CC3)cc(C3CC3)nc21 36616141 BELDTIULTLKTFD-UHFFFAOYSA-N 449.603 3.510 0 40 IHAB O=C(CCCCCNC1=NS(=O)(=O)c2ccccc21)N1CCC[C@H]1c1ccsc1 40110527 UDBJSCMABUHOIO-SFHVURJKSA-N 431.583 3.711 0 40 IHAB Cc1cc(C)cc(NC(=O)COc2cc(C)nc(N3CCN(c4ccccc4)CC3)n2)c1 44170280 FOPBTRUIPQADMZ-UHFFFAOYSA-N 431.540 3.746 0 40 IHAB Cc1sc2nc(S[C@@H](C)C(=O)Nc3ccc(N4CCOCC4)cc3)nc(N)c2c1C 46581218 REEJXVZQIOTXNH-AWEZNQCLSA-N 443.598 3.846 0 40 IHAB CCOC(=O)c1ccc(NC(=O)Cn2cc(-c3ccccc3)c3ncn(CC)c(=O)c32)cc1 48989548 ASVVTJCIMCNLTK-UHFFFAOYSA-N 444.491 3.700 0 40 IHAB COc1ccc(NC(=O)CSc2nc3[nH]ncc3c(=O)n2-c2ccccc2)cc1Cl 51316718 AYBSQOLJENASCC-UHFFFAOYSA-N 441.900 3.502 0 40 IHAB COc1ccc(C)cc1NC(=O)Cn1c(=O)n(-c2ccc(C)cc2C)c(=O)c2sccc21 57493141 HLJYQBQRRZRZRC-UHFFFAOYSA-N 449.532 3.786 0 40 IHAB Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)CCCN2CCCC2)cc(N(C)C)n1 57775154 OSGUQWJKTPTNIA-QFIPXVFZSA-N 434.588 3.608 0 40 IHAB Cn1c(C(=O)N(CC(N)=O)Cc2ccc(Br)cc2)c(Cl)c2ccccc21 69419090 YASNEYWJMGJJJO-UHFFFAOYSA-N 434.721 3.722 0 40 IHAB COc1ccccc1-c1ccc(N2CCC[C@@H](C(=O)NCc3sc(C)nc3C)C2)nn1 90593023 JRYRQMMDSZYGTE-QGZVFWFLSA-N 437.569 3.758 0 40 IHAB COc1cccc2cc(C(=O)N3CCC(Oc4ccc(C(F)(F)F)cn4)CC3)c(=O)oc12 90607574 LQNCZXNNOZXMSX-UHFFFAOYSA-N 448.397 3.899 0 40 IHAB COc1ccc(-c2noc(CN3CCN([C@@H](C)C(=O)c4c[nH]c5ccccc45)CC3)n2)cc1 96941301 SAQWTBBLPSJKQR-KRWDZBQOSA-N 445.523 3.616 0 40 IHAB O=C1[C@H]2CC=C(Cl)C[C@@H]2C(=O)N1c1ccc(N2C(=O)[C@H]3CC(Cl)=CC[C@H]3C2=O)cc1 100564970 LLATXXZJLCJMCN-MHORFTMASA-N 445.302 3.731 0 40 IHAB CSCC[C@@H](C(=O)N(C)c1nc2ccccc2s1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 101098323 LZUWOZFMXDXUCZ-LZWOXQAQSA-N 431.583 3.556 0 40 IHAB COc1cc(Br)cc2c1O[C@@]1(C)C[C@H]2NC(=O)N1c1ccc2c(c1)OCO2 101353057 IBVWLFIBYGFZRW-YJYMSZOUSA-N 433.258 3.956 0 40 IHAB COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@@H]3N3CCCN23)cc1 102684303 HTXFPJPGGJPTLZ-GUDVDZBRSA-N 432.307 3.538 0 40 IHAB CN(c1ccc(C(=O)Nc2ccccc2C(N)=O)cc1)S(=O)(=O)c1ccc(Cl)cc1 113936154 BQPZEJUHUAZVRT-UHFFFAOYSA-N 443.912 3.516 0 40 IHAB O=C(NCCSC1CCCCC1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 219750287 LUMZEVJOXLIMMO-SFHVURJKSA-N 431.023 3.675 0 40 IHAB COc1ccc([C@@H](CC(C)C)NC(=O)CN(c2ccc(F)cc2F)S(C)(=O)=O)cc1 220096044 VLYLVORNIBRJBM-LJQANCHMSA-N 440.512 3.643 0 40 IHAB CCOC(=O)c1cccc(NC(=O)[C@@H](CC)N(c2cc(C)ccc2C)S(C)(=O)=O)c1 220549944 MZKXYKRXDBIHDJ-LJQANCHMSA-N 432.542 3.663 0 40 IHAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 220698007 UITSJYRIHLXKDY-HUUCEWRRSA-N 432.496 3.570 0 40 IHAB COc1ccc(Cl)cc1N([C@@H](C)C(=O)NC(C)(C)Cc1ccccc1)S(C)(=O)=O 222815954 FPUDYHXJADOSRC-HNNXBMFYSA-N 438.977 3.641 0 40 IHAB CN(C)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 223305454 SJWDXFMXJCBAIF-UHFFFAOYSA-N 426.494 3.747 0 40 IHAB CN(c1cccc(C(=O)NCc2ccc(-n3ccnc3)cc2)c1)S(=O)(=O)c1ccccc1 224255081 YCRMZWGQVBUYKV-UHFFFAOYSA-N 446.532 3.627 0 40 IHAB CCn1c(=O)sc2cc(NC(=O)CCCN(c3cccc(C)c3)S(C)(=O)=O)ccc21 225112204 ZQMHBDPERFOXPP-UHFFFAOYSA-N 447.582 3.576 0 40 IHAB O=C(c1cccc(-c2cncnc2)n1)N1CCC[C@]2(C[C@@H](Oc3cccc(F)c3)CO2)C1 257297726 RIPKWTNJUAPPGL-YKSBVNFPSA-N 434.471 3.520 0 40 IHAB CCn1ncc(CN2CCO[C@@H](c3cc(CCOc4ccccc4Cl)[nH]n3)C2)c1C 257333469 YBSAMXCOFCDZKM-JOCHJYFZSA-N 429.952 3.783 0 40 IHAB O=C(c1ccc(OCCN2CCCC2)cc1)N1CCC[C@H]1c1cccc(-n2ccnc2)n1 257342784 ZQDQGYIVRQYIAR-QHCPKHFHSA-N 431.540 3.719 0 40 IHAB COc1cc(C)c([C@@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1C(C)C 260947585 WLNGKQGWEGTEBE-OPAMFIHVSA-N 446.569 3.531 0 40 IHAB Cc1cc(C)cc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)c2)c1 408655604 HUAXCEDRZSWHEE-BSWISCRUSA-N 446.503 3.634 0 40 IHAB COc1ccc(NC(=O)COc2ccc(S(=O)(=O)N[C@H](C)c3ccccc3)cc2)cc1 409149912 VJBUVLQCJUQPEM-QGZVFWFLSA-N 440.521 3.752 0 40 IHAB Cc1ccccc1NC(=O)CSc1nnc([C@H](NC(=O)c2ccccc2)C(C)C)n1C 409163701 WOPFTSOHPLAUDH-HXUWFJFHSA-N 437.569 3.981 0 40 IHAB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cccn2-c2ccc(OC)cc2)C1=O 409253221 ZCJHAKFWHRBJMH-PXLXIMEGSA-N 444.491 3.580 0 40 IHAB CC1(C)CC[C@@H]2C[C@@H](NC(=O)NCc3ccc([C@@]4(C)NC(=O)NC4=O)cc3)c3cccc1c32 537364631 ZHBPJQJMLLNLPF-KVYOAWSJSA-N 446.551 3.840 0 40 IHAB CN(C)C(=O)c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccccc2)cc1 1129533339 ZUBVIKPRSUTAEC-OAQYLSRUSA-N 437.540 3.823 0 40 IHAB Cc1ccc2[nH]c(=O)c(CN(C[C@H]3CCCO3)S(=O)(=O)c3ccccc3Cl)cc2c1 914011 QYKQRNMJZJHXGQ-GOSISDBHSA-N 446.956 3.860 0 40 IHAB COc1ccc2cc(CN(Cc3nnnn3C3CCCC3)C3CCCCC3)c(=O)[nH]c2c1 927535 YIZBSFZFRXHPMY-UHFFFAOYSA-N 436.560 3.973 0 40 IHAB Cc1ccc(-c2nnc3c4ccccc4c(C)nn23)cc1S(=O)(=O)N1CCC(C)CC1 2493349 VUQPHMRCWNBJCU-UHFFFAOYSA-N 435.553 3.982 0 40 IHAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc(Br)c(Br)s1 3336669 CHAMYLAHISOYAB-LLVKDONJSA-N 447.148 3.787 0 40 IHAB CCn1c(S[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccccc1OC 3401275 RYVZTONXVQZGFL-ZDUSSCGKSA-N 426.498 3.822 0 40 IHAB Cc1cc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)ccc1Br 3538282 BXISHRICFSGTRD-UHFFFAOYSA-N 431.739 3.914 0 40 IHAB CN(C)Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)c2ccc(F)cc2)C1 4237217 LQGZCLBYELIKBS-GHTZIAJQSA-N 445.538 3.976 0 40 IHAB biogenic,in-vitro C[C@H](Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)C(=O)NCC1CCCCC1 6066931 UMQFHVQSFLZEAG-WMZOPIPTSA-N 429.586 3.753 0 40 IHAB CCOC(=O)c1sc2ccccc2c1S(=O)(=O)N1CCN(c2ccccc2)CC1 8583780 UNXZITKKVLWOLU-UHFFFAOYSA-N 430.551 3.589 0 40 IHAB CCOC(=O)c1ccc(N2C(=O)[C@H]3ON(c4ccccc4C)[C@@H](c4ccco4)[C@@H]3C2=O)cc1 8741682 KRTFUMFAYMRUBY-FKBYEOEOSA-N 446.459 3.816 0 40 IHAB CCOC(=O)c1c(NC(=O)COC(=O)C2C3CC4CC(C3)CC2C4)oc(C)c1C(C)=O 8878697 LIWBGDZBMONFOF-UHFFFAOYSA-N 431.485 3.521 0 40 IHAB COc1ccccc1-c1nnc(S[C@H](C)C(=O)c2ccc3c(c2)CCN3C(C)=O)n1C 8981180 GYXGLYJZMZGQJM-CQSZACIVSA-N 436.537 3.763 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nc2ccccc2[nH]1 9141482 MWZCHZMUDUULMG-UHFFFAOYSA-N 444.582 3.777 0 40 IHAB COc1ccc(-c2ccc3nnc(SCC(=O)Nc4ccc(F)cc4F)n3n2)cc1 9240795 RGIXNJGYCAELHJ-UHFFFAOYSA-N 427.436 3.809 0 40 IHAB COc1ccc(C(=O)Nc2nnc(SCC(=O)Nc3ccccc3)s2)c(OC)c1 9364078 ZCHVTUWGZVIRLB-UHFFFAOYSA-N 430.511 3.538 0 40 IHAB COc1ccc(-c2noc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)n2)c(OC)c1 9516359 JVWKCOBHRJFERD-UHFFFAOYSA-N 440.437 3.825 0 40 IHAB O=C(Nc1ccc(N2CCOCC2)cc1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 9587413 YJQQJPQSGQWZOA-GOSISDBHSA-N 427.932 3.668 0 40 IHAB CCN(CC)CCn1c2c(c(SCC(=O)Nc3ccc(C(C)C)cc3)nc1=O)CCC2 9745654 ZONGNSGAJANQFS-UHFFFAOYSA-N 442.629 3.928 0 40 IHAB C[C@@H]1CN(c2ncc3c(n2)CC(C)(C)C[C@@H]3NC(=O)CCc2ccccc2F)C[C@@H](C)O1 12240706 ILFUZYLDOBZFAA-LZJOCLMNSA-N 440.563 3.992 0 40 IHAB O=C(NCC[C@@H]1CCCO1)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 12605181 CTMZSZKJQSLXLL-KRWDZBQOSA-N 442.459 3.805 0 40 IHAB Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)N1CCN(Cc2ccccc2)CC1 12617883 OGBYXGSYVVHQKN-UHFFFAOYSA-N 426.923 3.990 0 40 IHAB Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N3CCCc4ccccc43)CC2)c(C)c1 12772799 KYUNBJJRIATGLY-UHFFFAOYSA-N 426.582 3.992 0 40 IHAB CC(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3[C@@H](C)CCC[C@@H]3C)cc2)c1 12798350 TZDRAJWMDHQOCU-HOTGVXAUSA-N 429.542 3.849 0 40 IHAB CN(CC(=O)Nc1cc2c(cc1Br)OCCO2)Cc1ccccc1Cl 12819753 GUGRBSSOPINIIE-UHFFFAOYSA-N 425.710 3.944 0 40 IHAB O=C(c1cc(Cl)ccc1F)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 12907147 MFVHJULTDIFUAX-UHFFFAOYSA-N 436.936 3.505 0 40 IHAB CC(=O)Nc1ccc(C(=O)N(Cc2ccccc2)Cc2nc3ccccc3c(=O)[nH]2)s1 12927977 RZHFYGOATMZPNY-UHFFFAOYSA-N 432.505 3.786 0 40 IHAB CC1=C2C(=NC(=O)[C@H](NC(=O)c3ccccc3)[C@@H]2c2cccc(F)c2)N(c2ccccc2)N1 13038468 BIJDFFJLLUNDSO-DHIUTWEWSA-N 440.478 3.945 0 40 IHAB CCOC(=O)c1sc(NC(=O)[C@@H](CC)Sc2ncc(-c3ccccc3)nn2)nc1C 13494695 RBTHJVCJFAKFRB-OAHLLOKOSA-N 443.554 3.990 0 40 IHAB CC(=O)Oc1cc2oc(=O)c(CC(=O)NCCc3ccccc3F)c(C)c2cc1Cl 13624861 MFOCATTVFGCZFK-UHFFFAOYSA-N 431.847 3.721 0 40 IHAB COc1ccc(-c2cc(C(F)(F)F)nc(N3N=CC[C@@]3(O)C(F)(F)F)n2)cc1OC 13643307 BTCVFJLNRPUZPY-OAHLLOKOSA-N 436.312 3.626 0 40 IHAB O=C(Nc1nc2ccc(F)cc2s1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 14015991 CJIATNODQJFTDZ-GFCCVEGCSA-N 437.493 3.614 0 40 IHAB O=C(NC1CCCCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 14106671 JLWNIHZZIRUNSX-OAHLLOKOSA-N 443.407 3.689 0 40 IHAB CCOc1ccc(-c2nc3s/c(=C/c4ccc(Br)cc4)c(=O)n3n2)cc1 16712643 YFDNHSPKZZTUDX-LFIBNONCSA-N 428.311 3.527 0 40 IHAB COc1ccc(/C=C/C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1 17096634 IXNSBCHLGFUXFI-JXPAYYINSA-N 429.567 3.507 0 40 IHAB Cc1csc(C(=O)N2CCCC[C@@H]2c2nc(O)c3c(n2)CN(Cc2ccncc2)CC3)c1 19124588 LXZPRTUBOVYMJZ-HXUWFJFHSA-N 449.580 3.873 0 40 IHAB O=C(Cc1ccccc1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CN(Cc1cccs1)CC2 19370240 MKFONCWCVJHGJC-QFIPXVFZSA-N 448.592 3.686 0 40 IHAB C[C@H]1Cc2cc([C@H](O)CN3CC=C(c4ccc(Cl)cc4)CC3)ccc2N1S(C)(=O)=O 19497850 PYPHQEWBAGWPNV-QMHKHESXSA-N 447.000 3.873 0 40 IHAB COc1ccccc1C(=O)N1CCNC(=O)[C@@H](Cc2ccccc2-c2ccccc2OC)C1 19571813 LRSGJNXWHFWNGW-FQEVSTJZSA-N 444.531 3.802 0 40 IHAB CN(C)C(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CN(C(=O)CC2CCCCC2)CCO1 19580612 HGLLEVCWDRLCQV-MHZLTWQESA-N 449.595 3.947 0 40 IHAB CCc1nccn1CC(=O)N1CCC(c2nc(N(C)C)ncc2-c2cccc(F)c2)CC1 19695332 QVMMJENEPRUESW-UHFFFAOYSA-N 436.535 3.514 0 40 IHAB CNc1cc(C(=O)N2CC[C@H](c3cc(C(=O)NCC(C)C)c4ccccc4n3)C2)ccn1 19756950 ALHHCAGQBVKFSP-SFHVURJKSA-N 431.540 3.687 0 40 IHAB COc1ccc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1 20018011 PIUKYMGOFWFMMN-LJQANCHMSA-N 444.597 3.899 0 40 IHAB O=C(COc1ccc2cc(-c3ccc(F)cc3)c(=O)oc2c1)N[C@@H](CO)c1ccccc1 20426585 PJPONRZORNRABH-QFIPXVFZSA-N 433.435 3.828 0 40 IHAB Cc1nc(S[C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)n(C[C@@H]2CCCO2)c1C 20990500 WLUUINYZZOPGAS-FPOVZHCZSA-N 428.602 3.508 0 40 IHAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 22329685 DMPYTWGYZHTNHH-HXUWFJFHSA-N 430.570 3.796 0 40 IHAB CCOc1ccc(CCCNC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 22336988 CFZSSURHNQSEOM-UHFFFAOYSA-N 438.977 3.562 0 40 IHAB COc1ccc(-c2c(C)nn3c2nnc2c(=O)n(-c4ccc(C(C)=O)cc4)ccc23)cc1 22610743 JYOUJFLBFFEVJK-UHFFFAOYSA-N 425.448 3.615 0 40 IHAB O=C(CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)Nc1ccccc1-c1ccccc1 23200262 FWWSZKBXCXGRTO-QHCPKHFHSA-N 438.487 3.937 0 40 IHAB O=C(OCc1nc2ccccc2s1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 24362595 VSGWTQVXAUFLLT-GFCCVEGCSA-N 442.971 3.908 0 40 IHAB Cc1cccc(CSc2nnc(Nc3ccc4c(c3)OCO4)c(=O)n2-n2cccc2)c1 28535110 RYVJYYWYSDWRPM-UHFFFAOYSA-N 433.493 3.824 0 40 IHAB O=C(CN1CCC(O)CC1)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 29122287 YJPWJKRKYPFFIB-UHFFFAOYSA-N 425.529 3.939 0 40 IHAB CCOC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(C(C)=O)s2)CC1 32850855 PHBFSKONHRJUOW-IBGZPJMESA-N 434.945 3.666 0 40 IHAB COc1ccc(NC(=O)COc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)cc1 33415529 FEYPWLDZOSIROI-UHFFFAOYSA-N 440.521 3.533 0 40 IHAB Cc1ccc(NC(=O)CN2CCC3(CC2)N=C(c2ccc(C)c(C)c2)C(=O)N3)c(Cl)c1 35430749 MLPGVVQVTMDCQH-UHFFFAOYSA-N 438.959 3.615 0 40 IHAB biogenic CCCN1CCCc2cc(CCNS(=O)(=O)c3ccc(NC(=O)C(C)C)cc3)ccc21 35588165 JXYRMNNTAOIALA-UHFFFAOYSA-N 443.613 3.965 0 40 IHAB O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@@H](c2nnc(-c3ccc4c(c3)OCO4)o2)C1 35596942 DKVUYKUJEBMBJS-CQSZACIVSA-N 447.900 3.687 0 40 IHAB Cc1ccc(NC(=O)C[C@@H]2C(=O)N[C@@H]3CCCC[C@@H]3N2C(=O)c2ccco2)cc1Cl 37065745 BGYZYPSRCPPAAE-FGTMMUONSA-N 429.904 3.522 0 40 IHAB O=C(CSc1nc2ccccc2s1)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1 38946514 BZJWQUOOALCTGW-QZTJIDSGSA-N 437.590 3.863 0 40 IHAB CCc1nn2c(nnc3c(=O)n([C@@H](C(=O)O)C(C)C)ccc32)c1-c1ccc(Cl)cc1 40395921 DAZJVNIDOVBLAQ-GOSISDBHSA-N 425.876 3.604 0 40 IHAB CC(C)(C)C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3F)cc2)CC1 40718068 AMLKTQCCCYLVKH-UHFFFAOYSA-N 442.560 3.647 0 40 IHAB Cc1ccc(CCCNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2)cc1 44850085 AKZNNNCJJLPGFF-UHFFFAOYSA-N 449.016 3.939 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)N3CCO[C@H]4CCCC[C@H]43)c2)c1 48273861 WFASWMWVVWLQDL-RTWAWAEBSA-N 428.554 3.888 0 40 IHAB Cc1c(C(=O)N(Cc2ccc3c(c2)OCCO3)CC(F)(F)F)cnn1-c1ccccn1 57992375 DSVGJYFRBGBNMP-UHFFFAOYSA-N 432.402 3.552 0 40 IHAB Cc1cccc(C)c1OC[C@H](O)CNC(=O)c1cccnc1SCc1c(C)noc1C 58028728 MLOLKDGECDKPSR-GOSISDBHSA-N 441.553 3.765 0 40 IHAB Cc1sc2nc(C(C)C)n([C@@H]3CCCN(CC(=O)N4CCCCC4)C3)c(=O)c2c1C 72347706 JRBHRJFOYKBYAT-GOSISDBHSA-N 430.618 3.848 0 40 IHAB C[C@@H]1Cc2ccccc2N1C(=O)CN1CCC[C@H](n2c(=O)oc3ccc(Cl)cc32)C1 72347838 QWQLEKCDWXPXEY-QAPCUYQASA-N 425.916 3.863 0 40 IHAB COc1ccccc1C(=O)N1CCN(C)C(=O)[C@@H]1Cc1ccccc1-c1ccccc1OC 72351480 FDPQHNFYXXHCJO-QHCPKHFHSA-N 444.531 3.896 0 40 IHAB CS(=O)(=O)Nc1ccccc1C(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 78610325 JAOUKTJARXAJCX-KRWDZBQOSA-N 447.315 3.718 0 40 IHAB Cc1ccc(-c2ccc(C(=O)NC[C@@H]3CCCN(c4nccn5cnnc45)C3)c(F)c2)cc1 89641033 VWRJBVGJMRUMQV-SFHVURJKSA-N 444.514 3.885 0 40 IHAB COc1cccc(CN2Cc3ccccc3[C@@]23CO[C@@H](C(=O)N(C)Cc2ccccn2)C3)c1 96143956 YRLILHNLLBKCDK-XNMGPUDCSA-N 443.547 3.749 0 40 IHAB COc1ccc(NC(=O)Nc2snnc2C(=O)N2CCCC[C@@H]2c2cccnc2)cc1 101376903 MGQBFKQMRABGOE-QGZVFWFLSA-N 438.513 3.953 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cc1C 108166385 DRAZBWAVDVHPKV-UHFFFAOYSA-N 440.924 3.836 0 40 IHAB CC(=O)O[C@H]1[C@@H](c2ccc(=O)oc2)[C@@]2(C)CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@]23O[C@H]13 118913283 SCULJPGYOQQXTK-CPGGMHQESA-N 442.552 3.800 0 40 IHAB COc1cccc(-c2noc(CNC(=O)COc3cc(C)c(Br)c(C)c3)n2)c1 218845134 FWWZQNIEWSBMDT-UHFFFAOYSA-N 446.301 3.820 0 40 IHAB CCOC(=O)c1ccc(C)c(NC(=O)[C@H](C)N(c2ccc(CC)cc2)S(C)(=O)=O)c1 220285552 FUVLGOLZIGCCSI-INIZCTEOSA-N 432.542 3.527 0 40 IHAB COc1ccc([C@H](CC(C)C)NC(=O)[C@H](C)N(c2cccc(F)c2)S(C)(=O)=O)cc1 220486940 OQBPMPDXKRKSLC-KKSFZXQISA-N 436.549 3.892 0 40 IHAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(OC)cc1 222483470 GETFYQYCTLBFRG-FDDCHVKYSA-N 426.557 3.968 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 222945429 IWPMHWKORZITLJ-KRWDZBQOSA-N 442.581 3.850 0 40 IHAB COC(=O)c1ccc(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)C[C@H]3C)cc1 223106677 RKEWZJDBZUPIAS-LLVKDONJSA-N 441.281 3.920 0 40 IHAB Cc1ccccc1[C@H](C)NS(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1 223673158 ACNSCMQCUXMEEN-LBPRGKRZSA-N 436.946 3.792 0 40 IHAB Cc1cccc(OCCNC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c1C 223927294 JXVSUDUSENLPIL-UHFFFAOYSA-N 432.586 3.562 0 40 IHAB COc1ccc(OCCCC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)C)cc1 224663559 JUGLLXFRVWACBB-SFHVURJKSA-N 430.520 3.935 0 40 IHAB O=C(c1ccccc1)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 225473660 DBJNJJVYDVNUSP-UHFFFAOYSA-N 448.544 3.957 0 40 IHAB COC(=O)c1cc(NC(=S)NCc2ccccc2CN2CCCC2=O)ccc1Cl 225652348 QTEFHMPMZPZEBW-UHFFFAOYSA-N 431.945 3.736 0 40 IHAB Cc1cccnc1Nc1cncc([C@H]2CCCN2C(=O)CCn2c(=O)oc3ccccc32)n1 257237048 HEYCWPLGFFBMSW-GOSISDBHSA-N 444.495 3.585 0 40 IHAB CC(=O)N1[C@@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1ccnc(C)n1 257251154 JPQCVJUGRHYJKF-TYUWDEHNSA-N 432.568 3.790 0 40 IHAB CO[C@H]1CC[C@H](C(=O)N[C@H](Cc2c[nH]c3ccccc23)c2cc(N(C)C)nc(C)n2)CC1 257284733 PEALZLCONXYOIN-SFGWALBWSA-N 435.572 3.938 0 40 IHAB CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1CN(Cc1cccc(OC3CCCC3)c1)CC2 257336499 YOSPEGWFOQZMOY-FQEVSTJZSA-N 449.599 3.734 0 40 IHAB COc1cccc(-n2nccc2-c2nc(C(=O)Nc3ncccc3C)c3cnccn23)c1 306126664 FBJGUTJMBKOHLG-UHFFFAOYSA-N 425.452 3.546 0 40 IHAB CC(C)n1nccc1[C@@H]1CN(C(=O)c2ccco2)C[C@]12CCCN(Cc1cccnc1)C2=O 306144230 YZVUROXLKXSHGN-NBGIEHNGSA-N 447.539 3.501 0 40 IHAB O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCCSCc1ccco1 408546070 QDJIVGKLJRLOQT-UHFFFAOYSA-N 448.541 3.664 0 40 IHAB O=C([C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1)N1CCc2ccccc2C1 408556336 HTPRAXYJUZOCAY-QHCPKHFHSA-N 434.561 3.825 0 40 IHAB CCc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4C[C@@H](C)CC[C@H]4C3=O)cc2)cc1 408662905 OCFHDALRELPYHY-USCONSEESA-N 448.519 3.970 0 40 IHAB CCOc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)NCc3ccccc3)c2)cc1 408676941 OYHHRNJYMLOGGE-UHFFFAOYSA-N 440.521 3.825 0 40 IHAB CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N([C@H](C)C(=O)OC)C3=O)o2)cc1 409071710 POQAIZDDZRDLNR-PBSOMRJOSA-N 429.450 3.721 0 40 IHAB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)Nc1cccc(Cl)c1Cl 409126401 OQWZBTYOPRUTOZ-LLVKDONJSA-N 425.243 3.667 0 40 IHAB CC(=O)[C@@H]1[C@H](C(=O)c2ccncc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(C)ccc3N12 504319499 WXVQQCGVNGJNII-NXNJFABFSA-N 449.510 3.952 0 40 IHAB biogenic O=C(N[C@H](Cc1c[nH]c2cccc(Br)c12)C(=O)O)c1cc2cc(F)ccc2[nH]1 539568299 WYNLCTXKIHHHTQ-QGZVFWFLSA-N 444.260 3.977 0 40 IHAB O=C(c1c[nH]c2c(F)cc(F)cc2c1=O)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@@H]34)[C@@H]21 604404607 FQYMRQHBDQFETD-MTDBSEBISA-N 439.506 3.842 0 40 IHAB biogenic O=C(N1CCOCCOc2ccccc2OCCOCC1)C12CC3CC(CC(C3)C1)C2 616581058 KTDFXFHECHVWRC-UHFFFAOYSA-N 429.557 3.536 0 40 IHAB CC(C)(C)N1C[C@H](C(=O)Nc2cscc2S(=O)(=O)c2ccc(Cl)cc2)CC1=O 2037845908 NPUDIRLTSSCJNB-GFCCVEGCSA-N 440.974 3.820 0 40 IHAB CCOc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(CO)(c4ccccc43)[C@H]2C1=O 706242 XSCQSEUYQUNHOC-AYIBLLACSA-N 425.484 3.628 0 40 IHAB COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)O[C@@H](C)C(C)(C)C)cc(Br)c1O 844385 BAOKMQXGGXJCFB-BONVTDFDSA-N 441.322 3.769 0 40 IHAB Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)OCC(=O)NCc4ccccc4)cc3C2=O)c1 1960886 ZNPCHEFWMRZUFQ-UHFFFAOYSA-N 442.471 3.577 0 40 IHAB CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1cc(OC)cc(OC)c1 2444806 OUQTVJSOCQQZPV-UHFFFAOYSA-N 442.541 3.933 0 40 IHAB CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)COC(=O)c1ccc(CO)cc1 3418716 NGWFFJGREJGBNY-UHFFFAOYSA-N 443.477 3.781 0 40 IHAB O=C(/C=C/c1ccccc1)NC(=S)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 4122779 ZHWBQEVDYJVCGI-VOTSOKGWSA-N 441.425 3.619 0 40 IHAB O=C(OCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1NCc1ccco1 9023208 FNLREGAWNSNLQR-UHFFFAOYSA-N 437.471 3.536 0 40 IHAB CCOc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2CC 9166416 LNDYAXWWQRDPLF-UHFFFAOYSA-N 432.542 3.966 0 40 IHAB O=C(Cn1nnc(-c2ccsc2)n1)Nc1ccc(Br)c(C(F)(F)F)c1 9216583 GRUDHWDBXCAQOE-UHFFFAOYSA-N 432.225 3.822 0 40 IHAB CN(CC(=O)Nc1ccc(N2CCCCCC2)cc1)Cc1ccccc1N1CCOCC1 9221016 AQYYWTMYSGIGLG-UHFFFAOYSA-N 436.600 3.974 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 9306294 XLDXSYZBPJHJNL-QGZVFWFLSA-N 429.325 3.794 0 40 IHAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)CCN1C(=O)NC2(CCCC2)C1=O 9497701 BWSBUPILBYPLRV-UHFFFAOYSA-N 429.904 3.813 0 40 IHAB CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)c1ccc3c(c1)CCC(=O)N3)C2=O 9516886 VHXPKHQMNJYWAF-UHFFFAOYSA-N 425.529 3.671 0 40 IHAB COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)N3CCCC3)ccc2C)cc1Cl 9540369 JIPYVMNYMBGWGL-UHFFFAOYSA-N 438.933 3.702 0 40 IHAB COc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1S(=O)(=O)N1CCCC1 9716979 OCVGHAUBAYHORR-UHFFFAOYSA-N 443.569 3.722 0 40 IHAB CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C2c3ccccc3Oc3ccccc32)n1 9822201 ROFDQRWDAAXGCB-UHFFFAOYSA-N 427.464 3.703 0 40 IHAB CCOc1ccccc1NC(=O)Cc1csc(NS(=O)(=O)c2ccc(C)cc2)n1 9828587 JVCRMUOGHDJCKP-UHFFFAOYSA-N 431.539 3.832 0 40 IHAB CCOc1ccc(CNC(=O)[C@@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 10448877 SZTKNWBXUCZKDE-CYBMUJFWSA-N 445.368 3.863 0 40 IHAB CS(=O)(=O)NCCc1ccc(-c2csc(-c3ccc(NC(=O)C4CC4)cc3)n2)s1 11181615 WWSGBIKVUXVROT-UHFFFAOYSA-N 447.607 3.979 0 40 IHAB CCOc1ccc(-c2ccc(=O)n(CCNC(=O)Nc3cc(Cl)ccc3OC)n2)cc1 11694475 DWMFTQYXOIAVLU-UHFFFAOYSA-N 442.903 3.793 0 40 IHAB Clc1ccc(CSc2nnc(N3CCOCC3)n2C[C@H]2CCCO2)cc1Cl 11760349 APGSWSJWYULMFZ-CQSZACIVSA-N 429.373 3.893 0 40 IHAB CC(C)c1cc(C(=O)N[C@@H]2CC(C)(C)Cc3nc(N4C[C@@H](C)O[C@H](C)C4)ncc32)no1 12240967 SJHRWJPRWGFDNT-IIDMSEBBSA-N 427.549 3.645 0 40 IHAB COc1ccc(Cl)cc1NC(=O)Cn1cnc2c(sc3nc(C)cc(C)c32)c1=O 12415022 KHRDELHVTJHUSA-UHFFFAOYSA-N 428.901 3.924 0 40 IHAB COc1ccc(NCC(=O)Nc2cccc(I)c2)cc1OC(F)F 12553011 FHKNTTUQAJSZEB-UHFFFAOYSA-N 448.207 3.952 0 40 IHAB COc1cccc(Cc2cnc(NC(=O)CCNC(=O)c3ccc(F)cc3F)s2)c1 12754427 YDOCSHKUPSXYCL-UHFFFAOYSA-N 431.464 3.779 0 40 IHAB C[C@@H](Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)c1nc2ccccc2c(=O)[nH]1 12796240 URHZRHGXXYUEQJ-CABCVRRESA-N 434.521 3.665 0 40 IHAB CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 12857954 HJWBWMYQMUDNQF-JOCHJYFZSA-N 446.334 3.951 0 40 IHAB O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(OCc2cn3ccccc3n2)cc1 13118111 DKKAGNPNRPVSJC-JOCHJYFZSA-N 426.520 3.918 0 40 IHAB CC[C@H](Oc1ccccc1F)C(=O)Nc1nnc(S(=O)(=O)Cc2ccccc2C)s1 13571581 PPHBSGRLTVADDI-INIZCTEOSA-N 449.529 3.756 0 40 IHAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 14231508 YMSYZINMNPTWTR-CVDCTZTESA-N 430.552 3.774 0 40 IHAB CN1C(=O)c2ccc(NC(=O)C3CCN(C(=O)c4cccc5ccccc45)CC3)cc2C1=O 16046667 YJJBXXGKMCWTHJ-UHFFFAOYSA-N 441.487 3.557 0 40 IHAB Cc1cc(-c2cnc(N3CCCCC3)nc2C2CCN(C(=O)c3ccncc3)CC2)on1 19123118 ZHVBMIJHLXWWDS-UHFFFAOYSA-N 432.528 3.845 0 40 IHAB Cc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@H](O)c3ccc4c(c3)OCCCO4)CC1)O2 19219293 CDRIOIPMAHWFRW-SFTDATJTSA-N 425.525 3.540 0 40 IHAB O=C(Nc1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(F)ccc2O3)cc1)C1CC1 19332381 NIEKFWQFORBKII-FGZHOGPDSA-N 440.515 3.558 0 40 IHAB CCCN1CCN(C(=O)c2ccnn2C)C[C@H](Cc2cccc(-c3ccccc3F)c2)C1=O 19503041 RYHLLEUHXPPHGP-NRFANRHFSA-N 448.542 3.780 0 40 IHAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](c2ccc(Cc3cccc(F)c3)cn2)C1 19690182 ZFMNDUBGMHSNTJ-IBGZPJMESA-N 428.533 3.720 0 40 IHAB CNc1cc(CN(C)C(=O)Cc2c(C)[nH]c3ccc(C)cc23)nc([C@@H]2CCCN2C(C)=O)n1 19759898 WPLYFUNUUYDRDG-QFIPXVFZSA-N 448.571 3.501 0 40 IHAB COC(=O)c1ccccc1NC(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 19901650 NWVKKJUHBQTNTN-UHFFFAOYSA-N 443.547 3.819 0 40 IHAB O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)N1CCC(Cc2ccccc2)CC1 19930655 RFGZPNKOQXLYBZ-UHFFFAOYSA-N 426.582 3.541 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCCSCc1ccco1 20061651 OOCWFPCVHUFYBW-UHFFFAOYSA-N 436.599 3.816 0 40 IHAB COc1cc(NC(=O)Cn2nc(-c3ccc(C)cc3)c3c(c2=O)CCCC3)cc(OC)c1 20095780 CWTZWBNMTUJYKP-UHFFFAOYSA-N 433.508 3.753 0 40 IHAB CCc1nnc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccs2)s1 21289156 INUYZVINRTXYTC-OAHLLOKOSA-N 425.539 3.623 0 40 IHAB COC(=O)c1ccc(OC(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)cc1 22394352 OGMMGKCUUPACEC-UHFFFAOYSA-N 425.510 3.917 0 40 IHAB Cc1nn(C)c2sc(C(=O)OCC(=O)c3ccc(CNC(=O)C(C)(C)C)s3)cc12 22887392 HWNVLBOFPCRPGD-UHFFFAOYSA-N 433.555 3.707 0 40 IHAB CCCNC(=O)Cn1nc2c(c1NC(=O)C(C)(C)Oc1ccc(Cl)cc1)CSC2 23138760 GSTBKRSVJMAAQD-UHFFFAOYSA-N 436.965 3.606 0 40 IHAB O=C(Cn1nc2c(c1NC(=O)c1ccc(F)cc1Cl)CSC2)NCc1ccccc1 23139521 NMBDLAGAQSWDFQ-UHFFFAOYSA-N 444.919 3.991 0 40 IHAB O=C(COc1ccc(Br)cc1Cl)NCC1(N2CCOCC2)CCCCC1 23736613 MTRWOBPYJZQHTL-UHFFFAOYSA-N 445.785 3.633 0 40 IHAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1S(=O)(=O)N1CCOCC1 24649279 WMNREFBVCJMKGQ-UHFFFAOYSA-N 448.850 3.632 0 40 IHAB COc1ccc(C)cc1NC(=O)CNC(=O)CN1Cc2ccccc2[C@@H](c2ccccc2)C1 25401674 UBSHVRGKTIKWNV-HSZRJFAPSA-N 443.547 3.706 0 40 IHAB O=C(Nc1cccnc1)[C@@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 26110519 YWYJUIBAMNXHRK-CYBMUJFWSA-N 428.341 3.569 0 40 IHAB CCCCCC(=O)N[C@H](NC(=S)NNc1ccccc1O)C(Cl)(Cl)Cl 27026394 HKZJLIDFHKBVIS-CYBMUJFWSA-N 427.785 3.576 0 40 IHAB COC(=O)[C@@H](c1ccccc1Cl)N1CCN(C(=O)c2nc(Cl)ccc2Cl)CC1 29803658 NGBVZZGNEFGNJN-QGZVFWFLSA-N 442.730 3.714 0 40 IHAB O=C(NCCSCc1ccc(Br)s1)[C@@H]1CCCN(c2cnccn2)C1 30201488 UAEWJBLHTZMYFH-CYBMUJFWSA-N 441.420 3.567 0 40 IHAB COc1ccc(OC)c(CN2CCN(C(=O)NCc3ccc4cc(OC)ccc4c3)CC2)c1 31036511 YFYBSYRLIFDJNF-UHFFFAOYSA-N 449.551 3.893 0 40 IHAB O=C(Cc1csc(COc2ccc(F)cc2)n1)NCC1(N2CCOCC2)CCCCC1 32195211 BDBAITLYSCTRSJ-UHFFFAOYSA-N 447.576 3.555 0 40 IHAB CC(C)(C)NS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1 32882901 PDXJYCONFSRVMJ-KRWDZBQOSA-N 440.569 3.660 0 40 IHAB CCOc1cc2c(cc1CNC(=O)[C@@H]1CCCN1C(=O)Nc1ccc(F)cc1)O[C@@H](C)C2 32934424 CBKKAKYPRQWGAL-YWZLYKJASA-N 441.503 3.861 0 40 IHAB CCN(Cc1ccccc1)C(=O)c1cc2c(=O)n3cccc(C)c3nc2n1CCCOC 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O=C(Nc1ccccc1Oc1ccccc1Cl)N1CCN(C(=O)[C@@H]2CCCO2)CC1 58160973 UKBNGKMNMLJDEG-FQEVSTJZSA-N 429.904 3.987 0 40 IHAB COc1cc(/C=C/C(=O)NCCC(=O)O)ccc1OCc1ccc(Br)cc1 62715756 RPGREZRPSZLKBZ-WEVVVXLNSA-N 434.286 3.641 0 40 IHAB COc1ccc(OC)c2c1CN(Cc1c(C)nn(Cc3ccccc3)c1Cl)C[C@@H]2O 71810946 CRNBHZLJNOOTFO-IBGZPJMESA-N 427.932 3.960 0 40 IHAB Cc1ccc(-c2csc(NC(=O)CNC(=O)[C@H]3c4ccccc4C(=O)N3C3CC3)n2)cc1 71826930 DBSWJKXNNABGJJ-OAQYLSRUSA-N 446.532 3.533 0 40 IHAB Cc1ccc2c(c1)C(=O)C[C@@]1(CCC(=O)N([C@@H](C)C(=O)NC3CCC(C)CC3)CC1)O2 72328064 WZSFLVCHJWDJJY-DOYCXRAKSA-N 426.557 3.795 0 40 IHAB CCCN1CCN(C(=O)c2cnn(C)c2C)[C@H](Cc2ccc(-c3ccccc3)cc2)C1=O 72351407 WAHYNJFZMZXBOW-XMMPIXPASA-N 430.552 3.701 0 40 IHAB COc1cccc(N(C)CCC(=O)N2CCC[C@H]2c2cccc(Nc3cnccn3)n2)c1 72375868 STBSRHGHYBHFBV-NRFANRHFSA-N 432.528 3.814 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@H]2c2cncc(Nc3ncccc3C)n2)cc1C 72376357 XCZXQYNRNFJFOW-IBGZPJMESA-N 439.541 3.766 0 40 IHAB CCc1nccn1CC(=O)N1CCC[C@H]1c1nc(N(C)C)ncc1-c1cccc(Cl)c1 72376636 DPIDWBBTETZYKN-IBGZPJMESA-N 438.963 3.986 0 40 IHAB O=C(Nc1ccccc1)O[C@H]1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)C1 77200182 VCHCNQKSLKIMJY-BSIFCXSSSA-N 439.487 3.855 0 40 IHAB Cc1ccn2cc(CNC(=O)[C@@H](c3ccc(Br)cc3)N3CCCC3)nc2c1 84250796 XBKPVVBKVRNFSG-HXUWFJFHSA-N 427.346 3.859 0 40 IHAB COC(=O)[C@@H](c1ccc(F)cc1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 89396209 FZUQNFLZDSVJHN-MRXNPFEDSA-N 431.817 3.929 0 40 IHAB CS(=O)(=O)Nc1ccccc1C1=NN(C(=O)c2cccc(F)c2)[C@H](c2ccco2)C1 95116585 WCPLGZGWALSTIE-IBGZPJMESA-N 427.457 3.782 0 40 IHAB O=C(C[C@@H]1CC2(CCN(S(=O)(=O)c3cccs3)CC2)c2ccccc21)N1CCCC1 96242085 YVVIUEMRSMZODM-GOSISDBHSA-N 444.622 3.970 0 40 IHAB CN1CCC2(CC1)C[C@H](NC(=O)CC[C@@H]1Cc3ccccc3NC1=O)c1ccccc1O2 96997612 ANOOBBDKNIDLQQ-KNQAVFIVSA-N 433.552 3.682 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)/N=c2/sc3cccc(Cl)c3n2C)cc1 100821280 BQBRKEVUCOZUFY-XUTLUUPISA-N 437.974 3.665 0 40 IHAB C[C@@H]1[C@@H](NC(=O)COC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)CCC[C@H]1C 102257028 GYTPPXNQJJLVLY-WWGRRREGSA-N 437.949 3.966 0 40 IHAB COc1ccc(-c2noc(CN(C)C(=O)CSCc3ccc(F)cc3)n2)c(OC)c1 219264254 NDNUVEUVEJKGRD-UHFFFAOYSA-N 431.489 3.785 0 40 IHAB CCOC(=O)c1cc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)ccc1Cl 219978283 GBKSBHMTWFXRAO-UHFFFAOYSA-N 436.917 3.554 0 40 IHAB C[C@H](C(=O)NC[C@@H]1CCCO1)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1 222925184 YPNJRBPJPWKCNJ-IERDGZPVSA-N 432.923 3.734 0 40 IHAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CCCO1 223124385 JCUMVEOSJSVACB-VXKWHMMOSA-N 428.960 3.985 0 40 IHAB COC(=O)c1cc2cc(NS(=O)(=O)c3cc4oc(=O)[nH]c4cc3Cl)ccc2s1 223330667 SWIRJMPNFQWTJV-UHFFFAOYSA-N 438.870 3.577 0 40 IHAB CC(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 223473888 BBBKHJUJSBXAQD-XMMPIXPASA-N 434.467 3.961 0 40 IHAB COCc1cccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(OC)cc3)cc2)c1 223922566 JHPVJVRAOSKIGX-UHFFFAOYSA-N 440.521 3.919 0 40 IHAB CCc1cc(Br)cc(CC)c1NC(=O)[C@H]1CCCN(S(=O)(=O)CC)C1 226048377 ZTTOQHNJNVBKPD-HNNXBMFYSA-N 431.396 3.574 0 40 IHAB COc1ccc(N(C[C@H](O)CN2[C@H](C)CCC[C@H]2C)S(=O)(=O)c2ccc(C)cc2)cc1 239593105 DPPITQLJNRVYME-KCZVDYSFSA-N 446.613 3.823 0 40 IHAB CC1(C(=O)N2CCOC[C@H](Cc3ccc4ccoc4c3)C2)CCN(c2ncccn2)CC1 257230328 GBTQJVGRCNFCRA-HXUWFJFHSA-N 434.540 3.547 0 40 IHAB O=C(CN1CC[C@@]2(CCCN2Cc2ccccc2)[C@@H](O)C1)Nc1cccc2ccccc12 257288831 PVWWJLNPPHKGRG-BDYUSTAISA-N 429.564 3.880 0 40 IHAB CNC(=O)c1sc2ccccc2c1[C@H]1CCN(C(=O)c2ccc(OCCOC)cc2)C1 257293048 QNXWJOURVUPTOV-KRWDZBQOSA-N 438.549 3.916 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CCCCCC3)C2)cc1Cl 408623750 PQCYMKUCJYSLEN-MRXNPFEDSA-N 443.009 3.978 0 40 IHAB COc1c(Cl)cc(Cl)cc1/C=C1\SC(=O)N(CC(=O)NCc2ccco2)C1=O 409203557 YCIYGKXHCGNCAS-NSIKDUERSA-N 441.292 3.948 0 40 IHAB Cc1cccc(N(CC(=O)Nc2ccc(Br)c(Cl)c2)S(C)(=O)=O)c1 409264514 KQMBXNKJWPHBHX-UHFFFAOYSA-N 431.739 3.816 0 40 IHAB C/C(NCCc1c(C)[nH]c2c(C)ccc(C)c12)=C1\C(=O)NC(=O)N(c2ccccc2F)C1=O 575443672 HEZZTFQIXNDMCI-PGMHBOJBSA-N 448.498 3.921 0 40 IHAB CC1(C)CN(C(=O)c2ccc(C(=O)N3CC(C)(C)[C@@H]3[C@@H]3CCCO3)cc2)[C@@H]1[C@@H]1CCCO1 580016486 MKLGTEKKTSGHED-MYGLTJDJSA-N 440.584 3.746 0 40 IHAB C[C@@H]1CC[C@@H]2[C@@H](C1)c1c(ccc(C(=O)NCCNC(=O)c3cccnc3)c1O)OC2(C)C 585261634 KWDRFOXIRKSQGC-ATZDWAIDSA-N 437.540 3.638 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C)c2ccccc2)cc1OC 638221 LFJYRSNAVJGWLR-UHFFFAOYSA-N 440.521 3.846 0 40 IHAB Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCN5CCC[C@H]5C4)cc3n2)cc1 998742 XLHRMMKTNCDVRQ-INIZCTEOSA-N 429.446 3.644 0 40 IHAB COc1cccc(NC(=O)CSc2nnc(-c3cnccn3)n2-c2ccc(C)cc2)c1 2229750 QVDCJBZCJYKJGI-UHFFFAOYSA-N 432.509 3.772 0 40 IHAB COCC(=O)Nc1nc2n(n1)[C@H](c1ccc(OC)cc1)C[C@H](c1ccc(Cl)cc1)N2 2422857 FLZSHEQGLFRKQL-MSOLQXFVSA-N 427.892 3.671 0 40 IHAB C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)NCc2ccc(Cl)cc2Cl)C1=O 3270134 WTMUBYSKQURACI-OAQYLSRUSA-N 434.323 3.553 0 40 IHAB COc1cccc(CN2CCC(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)CC2)c1 4679689 XUNDZRPESBTRHN-UXBLZVDNSA-N 433.596 3.765 0 40 IHAB CCOc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(NC(C)=O)cc1 8610050 DZVPWKBAPAASLY-NRFANRHFSA-N 432.484 3.563 0 40 IHAB CC(C)(C)[C@@H]([C@H](Oc1ccc(Cl)cc1)n1cncn1)n1nnnc1C1(N)CCCCC1 8856705 SQPWJJVBRGREJT-MSOLQXFVSA-N 444.971 3.901 0 40 IHAB CSc1nc(NCC(C)C)c2cnn(CCNC(=O)Cc3ccc(Cl)cc3)c2n1 8942816 MSZZYJXNILUQLV-UHFFFAOYSA-N 432.981 3.628 0 40 IHAB CCOc1ccc([C@@H](NS(=O)(=O)c2ccc3c(c2)OCCO3)C(C)C)cc1OCC 8982822 UWVXGLIDFBBNIB-QFIPXVFZSA-N 435.542 3.931 0 40 IHAB COC(=O)c1c(NC(=O)COc2ccc3c4c(c(=O)oc3c2)CCC4)sc(C)c1C 9302935 SJRIYNSOBILUFG-UHFFFAOYSA-N 427.478 3.764 0 40 IHAB Cc1nc(SCc2cccc(S(=O)(=O)N3CCOCC3)c2)n(C2CCCC2)c1C 9366849 DFTOQSINLPVFLU-UHFFFAOYSA-N 435.615 3.928 0 40 IHAB C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N(C)Cc1ccccc1N1CCOCC1 9548553 MANLGLXBQGIGNS-NRFANRHFSA-N 436.600 3.973 0 40 IHAB O=C(CSc1nnc(SCC(=O)NC2CCCCC2)s1)NC1CCCCC1 9582769 SPNMPLGKNSTUIN-UHFFFAOYSA-N 428.649 3.620 0 40 IHAB O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)Nc1ccc(Br)cc1 9599794 ADWNEKDWOZLPIM-UHFFFAOYSA-N 441.314 3.680 0 40 IHAB O=C(NCCC1=CCCCC1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 9666783 AMDCPQGAWQUUPR-UHFFFAOYSA-N 447.384 3.635 0 40 IHAB CCS(=O)(=O)c1ccc(C(=O)N(CCCN(C)C)c2nc3c(F)cccc3s2)cc1 9707969 ODAPBRXJRJZGQB-UHFFFAOYSA-N 449.573 3.828 0 40 IHAB COc1ccc(NC(=O)Cc2csc(NS(=O)(=O)c3ccccc3)n2)cc1Cl 9828735 LXJKRQYUEFNZLQ-UHFFFAOYSA-N 437.930 3.787 0 40 IHAB O=C(C[C@@H]1SC(=O)N(CC(=O)c2ccccc2)C1=O)Nc1ccc(Br)cc1 10059358 KPZRMCMFPGQCCD-INIZCTEOSA-N 447.310 3.725 0 40 IHAB CNc1nc(N2CCN(c3ccccc3OC)CC2)nc2c1C(=O)C[C@@H](c1ccccc1)C2 10157676 WQCDIBNABDOPHY-IBGZPJMESA-N 443.551 3.766 0 40 IHAB COc1ccc(NC(C)=O)cc1NC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 11658847 ROBCBXQWJJFKLR-UHFFFAOYSA-N 434.496 3.732 0 40 IHAB Cc1ccc([C@H](C)CCN2CCN(c3c(F)cccc3[C@H](O)c3nccn3C)CC2)o1 12143404 VHJGYNMETPVMRE-HXOBKFHXSA-N 426.536 3.858 0 40 IHAB CCc1cc(C(F)(F)F)n2nc([C@H]3CCCN3C(=O)Cn3nc(C)c(C)c3C)cc2n1 12230585 MJGCLLMNARZQPS-QGZVFWFLSA-N 434.466 3.796 0 40 IHAB C[C@@H]1CN(c2ncc3c(n2)CC(C)(C)C[C@@H]3NC(=O)Cc2ccccc2F)C[C@@H](C)O1 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COc1ccc(OC)c(CNC(=O)c2cnn(-c3ccc(Br)cc3)c2C)c1 13015366 DWBDIJSOSKBKHL-UHFFFAOYSA-N 430.302 3.890 0 40 IHAB CCC(C)(C)NC(=O)[C@@H](c1ccco1)N(Cc1ccco1)C(=O)Cn1nnc2ccccc21 13032442 PBGQESGUWOOGCY-JOCHJYFZSA-N 449.511 3.692 0 40 IHAB CCOc1ccc(-c2ccc(=O)n(CCNC(=O)Nc3ccc(F)c(Cl)c3)n2)cc1 13604218 PTHWBGXVOXCMIQ-UHFFFAOYSA-N 430.867 3.923 0 40 IHAB COc1ccc(OC)c(N(CC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c1 13668907 QMJWYRXKJMEQDY-INIZCTEOSA-N 448.585 3.645 0 40 IHAB CC[C@H](C(=O)Nc1ccc(Br)cc1F)N(c1ccccc1)S(C)(=O)=O 13711588 JRCUAEKGVIRVIX-MRXNPFEDSA-N 429.311 3.772 0 40 IHAB COc1ccc(OC)c(NC(=O)[C@H]2CC(=O)N(CCc3c[nH]c4ccc(Cl)cc34)C2)c1 13944758 IGDIUGHACSWLCK-HNNXBMFYSA-N 441.915 3.868 0 40 IHAB Nn1c(COc2ccccc2F)nnc1S[C@H](C(=O)N1CCCCC1)c1ccccc1 14093491 PGSVDWMTYQKJPJ-FQEVSTJZSA-N 441.532 3.556 0 40 IHAB CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3C[C@H](C)O[C@@H](C)C3)c2c1C 14166803 BOLRKYDOJHJBCA-GJZGRUSLSA-N 432.590 3.776 0 40 IHAB COc1cc(C(C)=O)ccc1OC[C@@H](O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2 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COc1ccccc1CC(=O)N1Cc2ccccc2OC2(CCC(N(C)C(C)=O)CC2)C1 19016274 RDBPKMDWZVWRDS-UHFFFAOYSA-N 436.552 3.819 0 40 IHAB Cc1ccc(-c2nnc([C@@H]3CCCN(S(=O)(=O)c4ccc(F)c(F)c4)C3)o2)s1 19217642 PESYTBSBTCVBKP-GFCCVEGCSA-N 425.482 3.953 0 40 IHAB Nc1nc(CSCC(=O)Nc2cccc(Br)c2)nc(Nc2ccccc2)n1 19223570 MQHGEOXYQYFFEM-UHFFFAOYSA-N 445.346 3.832 0 40 IHAB Cc1ncc(-c2ccccn2)c(-c2ccc(CNC(=O)[C@H]3CC(=O)N(C(C)(C)C)C3)cc2)n1 19287060 NMYZNCLTRKRKLM-FQEVSTJZSA-N 443.551 3.777 0 40 IHAB CCOC(=O)c1cc(Cl)cnc1C1CCN(C(=O)c2ccc(OC)cc2OC)CC1 19530747 QDZYMRXCNYGLMD-UHFFFAOYSA-N 432.904 3.949 0 40 IHAB COc1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(Cl)ccc2O3)cc1OC 19559902 CSWLEDBZLRTTHX-RTBURBONSA-N 433.932 3.741 0 40 IHAB COc1ccc2[nH]cc(C(=O)CN3CCC[C@@](Cn4cnc5ccccc54)(OC)C3)c2c1 19563144 JCELDNXVIGHMFG-RUZDIDTESA-N 432.524 3.890 0 40 IHAB CNC(=O)[C@]1(Cc2ccc(-c3ccc(OC)cc3)cc2)CCCN(C(=O)c2ccncc2)C1 19591241 RQEZXMXFISYMIZ-MHZLTWQESA-N 443.547 3.968 0 40 IHAB Cc1noc(C)c1CC(=O)N1CCC[C@@H](c2nc(N(C)C)ncc2-c2ccccc2F)C1 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CCc1ccccc1N(CC(=O)N[C@H]1CC(C)(C)Oc2ccc(C)cc21)S(C)(=O)=O 22330014 BRUAKADZQVXMIT-IBGZPJMESA-N 430.570 3.742 0 40 IHAB CCOC(=O)c1cccc(NC(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)c1C 22395759 QBEMNNXHWPVYJS-UHFFFAOYSA-N 432.542 3.700 0 40 IHAB CCOC(=O)c1cccc(NC(=O)CN(c2c(C)cc(C)cc2C)S(C)(=O)=O)c1C 22395779 BRXYLJIKBONXAR-UHFFFAOYSA-N 432.542 3.502 0 40 IHAB CCCS(=O)(=O)N1CCCc2cc(NC(=O)Nc3cccc(OC)c3OC)ccc21 22505388 TVXICHOFLWQBCR-UHFFFAOYSA-N 433.530 3.840 0 40 IHAB Fc1ccc([C@H](c2nnnn2Cc2cccs2)N2CCN(Cc3ccccc3)CC2)cc1 22929762 OFLOLFCFVKUYMP-HSZRJFAPSA-N 448.571 3.829 0 40 IHAB Cc1ccccc1CN(C)C(=O)CN1CCN(Cc2ccc(Br)s2)CC1 22932060 YKIGUQNIPRJBKT-UHFFFAOYSA-N 436.419 3.595 0 40 IHAB Cc1cc(NC(=O)[C@H]2CS[C@H](Cc3ccc(F)cc3)C(=O)N2)ccc1Br 23081013 GGJJXUPEMSHMLK-IAGOWNOFSA-N 437.334 3.678 0 40 IHAB CC1(C)NC(=O)N(CCOC(=O)c2c3c(nc4ccccc24)CC[C@@H](C(C)(C)C)C3)C1=O 24756641 ORURNKYNSBELCM-OAHLLOKOSA-N 437.540 3.873 0 40 IHAB O=C(c1ccc(S(=O)(=O)NCCc2cccs2)cc1)N1CCC[C@H]1c1cccnc1 24778687 GIWXAGFFKKSBRD-NRFANRHFSA-N 441.578 3.641 0 40 IHAB CN(CC(=O)Nc1ccc(F)c(F)c1F)Cc1nc(O)c2ccc(C(F)(F)F)cc2n1 25463063 XJEDTEUBBVQGDD-UHFFFAOYSA-N 444.335 3.842 0 40 IHAB CSc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1C(=O)N1CCOCC1 26117030 ZWMFITUWNBTYGK-UHFFFAOYSA-N 442.562 3.835 0 40 IHAB O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 26481513 JITDBNPDTUOWBN-MRXNPFEDSA-N 438.440 3.675 0 40 IHAB CCCC[C@H](CC)CNC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC 29431400 QNUHDEZCWVVUQJ-KRWDZBQOSA-N 436.622 3.572 0 40 IHAB CCN(C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)OC)c1ccccc1 32069173 VAAUOUWBAOPGLI-FGZHOGPDSA-N 439.556 3.538 0 40 IHAB COc1ccc(CSC2=N[C@H]3CS(=O)(=O)C[C@H]3N2Cc2ccc(Cl)cc2)cc1 32508588 SQNYYHOQUWRLJC-RBUKOAKNSA-N 436.986 3.619 0 40 IHAB C[C@@H]1Cc2cc(-c3cc(COC(=O)CCn4cnc5ccccc5c4=O)no3)ccc2O1 36662576 KYEDGANVLKTMBN-OAHLLOKOSA-N 431.448 3.508 0 40 IHAB O=C(Nc1c(-c2ccc(F)cc2)nc2sccn12)[C@@H]1CC(=O)N(CC(F)(F)F)C1 40073775 NPQNWZTWANAJJX-LLVKDONJSA-N 426.395 3.551 0 40 IHAB O=C(NC1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1)c1ccc(F)cc1 48290870 HYVOKEJOKZZMNN-UHFFFAOYSA-N 430.423 3.518 0 40 IHAB CCCn1c(SCC(=O)Nc2ccccc2C(=O)OCC)nc2ccsc2c1=O 57425185 HDMJKRVCFLFFSI-UHFFFAOYSA-N 431.539 3.776 0 40 IHAB C[C@H](NCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc2ccccc12 58171206 OHERXACTJVCZRV-SFHVURJKSA-N 437.565 3.914 0 40 IHAB CCN(CC)Cc1cccc(NC(=O)c2nccnc2C(=O)NCc2ccc(F)cc2)c1 60342564 WSYWBUKMIXMJGE-UHFFFAOYSA-N 435.503 3.640 0 40 IHAB COc1ccc([C@H]2CC(=O)Nc3c(C(=O)O)cn(-c4ccccc4F)c32)c(OC)c1OC 61719466 ZEOAOHGRACBVJI-CYBMUJFWSA-N 440.427 3.815 0 40 IHAB CC[C@@H](C)n1c(SCC(=O)Nc2ccccc2C(=O)OC)nc2cc(C)[nH]c2c1=O 67238793 OLLJAMPLZYDJOV-CYBMUJFWSA-N 428.514 3.521 0 40 IHAB O=C(Cn1c(=O)cc(-c2nc(-c3ccccn3)no2)c2ccccc21)Nc1cccc(F)c1 67318525 ZMUANGWUYMVZAH-UHFFFAOYSA-N 441.422 3.891 0 40 IHAB CCCN(C)C[C@@H]1CCN(CC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)C1 72308812 BGAQNOVJXGSBAY-IBGZPJMESA-N 443.613 3.716 0 40 IHAB COCC(=O)N1CCC[C@](Cc2cccc(-c3cccc(F)c3)c2)(C(=O)NC(C)C)C1 72391571 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QWVDWZWSHZMUAY-DRCWPKHJSA-N 448.556 3.613 0 40 IHAB C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1ccc2c(c1)CCCC2 260928796 KUPDHQTYAHCAKK-UWJYYQICSA-N 444.572 3.983 0 40 IHAB O=C(Nc1cccc(F)c1)c1nnc2n1C[C@@H]1CN(Cc3cccc(Cl)c3)C[C@@H]1C2 306137095 QLKXLSXDFOISQZ-HOTGVXAUSA-N 425.895 3.627 0 40 IHAB Cc1cccc(C)c1NC(=O)COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 408661087 OCYJJISUHWLINE-MOXQZVSFSA-N 446.503 3.634 0 40 IHAB CCc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC[C@H](C)C[C@H]4C3=O)cc2)cc1 408662902 OCFHDALRELPYHY-KNXBSLHKSA-N 448.519 3.970 0 40 IHAB COc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(C)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 409059137 PRNDNAUDSLZJGG-WSBKAMHLSA-O 448.930 3.673 0 40 IHAB Cc1ccccc1C(=O)NCc1nnc(SCC(=O)Nc2cccc(Cl)c2C)n1C 409061028 ZKAWRPAFMGBGPI-UHFFFAOYSA-N 443.960 3.746 0 40 IHAB CCOc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(F)cc3)[C@@H]2c2ccc(C)cc2)cc1 409061933 KDVBRJJRNFFMLV-GXTRAYHQSA-O 446.502 3.549 0 40 IHAB CCc1ccccc1NC(=O)Cn1nc(CNC(=O)c2ccccc2C)n(CC)c1=S 409153513 LICBCSYGHYCUBW-UHFFFAOYSA-N 437.569 3.874 0 40 IHAB C[C@@H]1Oc2c(cccc2C(=O)NC2(c3cccc(Br)c3)CCOCC2)NC1=O 591165194 VZJKACXNUZCZAZ-ZDUSSCGKSA-N 445.313 3.604 0 40 IHAB CCN1CCN(C(=O)c2cccc(N(C)C)c2)[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O 1848351833 VWBZFFFJBQPWKM-RUZDIDTESA-N 442.563 3.730 0 40 IHAB CC(=O)N1[C@@H](Cc2ccccc2)[C@@H]2C[C@]3(C)[C@H]1CCCC[C@H]3N2c1ncnc2[nH]cnc12 2037843415 CLYFMTNWHMAFDO-GQEXVFEUSA-N 430.556 3.723 0 40 IHAB Cc1ccccc1OCC(=O)Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCCC2 1464711 UKUJCVCQNABSFR-INIZCTEOSA-N 428.554 3.862 0 40 IHAB CCOC(=O)c1c(C)[nH]c(-c2ccccc2)c1NS(=O)(=O)c1ccc(NC(C)=O)cc1 1610054 YAYFUHLDHCKXMN-UHFFFAOYSA-N 441.509 3.926 0 40 IHAB COc1ccc([C@@H]2CC(=O)c3cnc(NC(=O)c4ccccc4OC)nc3C2)c(OC)c1 2222364 FYQTYHZBDUIZJY-AWEZNQCLSA-N 433.464 3.667 0 40 IHAB CCCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3ccc(Cl)cc3F)nnc12 3393540 KTEFLMZSRADDED-UHFFFAOYSA-N 445.907 3.978 0 40 IHAB O=C(CCc1nc2ccccc2s1)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1 3400245 KMFITKPFWASKLS-UHFFFAOYSA-N 441.534 3.939 0 40 IHAB Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1NC(=O)c1ccco1 3488105 WJELRDPJLISYAP-AWEZNQCLSA-N 436.420 3.753 0 40 IHAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN2CCc3sccc3[C@H]2C2CC2)c1 8709601 WDMKIMLTHRQPIW-JOCHJYFZSA-N 447.626 3.727 0 40 IHAB Cc1cc(C(=O)CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c(C)n1Cc1ccco1 8860763 VYQYWMOQUGAXFS-JOCHJYFZSA-N 444.491 3.573 0 40 IHAB CCOc1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(C)cc2)cc1 9094863 LHLWWFWNXBWFLB-QHCPKHFHSA-N 438.549 3.922 0 40 IHAB Cc1cccc(-n2c(SCC(=O)Nc3ccc(C(N)=O)cc3)nc3ccccc3c2=O)c1 9125039 UVCWIKMWWZVOQB-UHFFFAOYSA-N 444.516 3.524 0 40 IHAB CCCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)cc1C 9170256 TXZKPCLOXGQWDK-UHFFFAOYSA-N 432.542 3.966 0 40 IHAB COC(=O)c1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1 9304792 ILCHIIFNDOHHNR-PGRDOPGGSA-N 447.487 3.921 0 40 IHAB Cc1ccc(N(Cc2cn3ccccc3n2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 9319311 ZJNTTXSZRFJEBO-UHFFFAOYSA-N 435.505 3.809 0 40 IHAB Cc1ccc(NC(=O)CSc2nc3nccnc3c(=O)n2Cc2ccc(F)cc2)cc1C 9405331 YKFJNVYYBJCLQZ-UHFFFAOYSA-N 449.511 3.722 0 40 IHAB CCOc1ccc(N(C(=O)c2ccc(OCC)c(OCC)c2)[C@H]2C=CS(=O)(=O)C2)cc1 9415820 LFQBHLUOJQYUSW-IBGZPJMESA-N 445.537 3.840 0 40 IHAB O=C(OCC(=O)N1CCN(c2ccccc2)CC1)c1ccc(OCc2ccccc2)cc1 9493122 GWQVCFKBVKYQNB-UHFFFAOYSA-N 430.504 3.771 0 40 IHAB COc1ccc(NS(=O)(=O)c2cccc(NC(=O)COc3ccc(OC)cc3)c2)cc1 9506734 KGEYKOXRRNEHGG-UHFFFAOYSA-N 442.493 3.522 0 40 IHAB COc1cccc(C[C@H]2[C@H](O)c3ccccc3S(=O)(=O)N2Cc2ccccc2)c1OC 9531263 OQUIDDGHCQZMSD-NZQKXSOJSA-N 439.533 3.553 0 40 IHAB Cc1cc(C(=O)COC(=O)C[C@H]2Sc3ccccc3NC2=O)c(C)n1Cc1ccco1 9562303 MTMGYKIPWJTBRW-OAQYLSRUSA-N 438.505 3.975 0 40 IHAB COc1ccc([C@@H](CNC(=O)C[C@H]2Sc3ccccc3NC2=O)N2CCCCC2)cc1 9593839 DNTPXIOEQBRZRW-IFMALSPDSA-N 439.581 3.842 0 40 IHAB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)c2cc(C)n(Cc3ccco3)c2C)cc1 9670729 CJVYPIZVPIIXDZ-UHFFFAOYSA-N 443.521 3.645 0 40 IHAB CSCC[C@H](NC(=O)C1CCC(C)CC1)C(=O)NC1CCN(Cc2ccccc2)CC1 9673270 PHCNLNDAHMZJTB-IRSIHTCSSA-N 445.673 3.831 0 40 IHAB O=C(Nc1nnc(-c2ccco2)o1)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 9714951 MQTHCPRRMDGLIL-UHFFFAOYSA-N 428.401 3.522 0 40 IHAB Cc1cc(C(=O)NCCCN2CCC(C)CC2)ccc1NS(=O)(=O)c1ccccc1 10112537 VNJWDJJPCLXWOL-UHFFFAOYSA-N 429.586 3.648 0 40 IHAB CCCCCn1c(=O)c2c(nc3n(-c4ccc(C(F)(F)F)cc4)c(C)cn23)n(C)c1=O 10271855 HHXIFKRSJQUMQY-UHFFFAOYSA-N 433.434 3.656 0 40 IHAB CCc1ccc(N2C(=O)N(CC(=O)N3CCC(C)CC3)c3ccccc3S2(=O)=O)cc1 10272725 DFEZWGLDVCYLBQ-UHFFFAOYSA-N 441.553 3.643 0 40 IHAB COc1cc(C(=O)Nc2nonc2-c2ccc(Br)cc2)cc(OC)c1OC 11916587 KQMBJHLHOVCZKO-UHFFFAOYSA-N 434.246 3.777 0 40 IHAB COc1ccc(CCNC(=O)CSc2nnc(-c3ccc(Cl)s3)o2)cc1OC 12249007 QYGASERBDJFXLG-UHFFFAOYSA-N 439.946 3.920 0 40 IHAB CC[C@H](C(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1)c1ccccc1 12418892 XWPPZAWXDBTKTQ-FQEVSTJZSA-N 436.943 3.728 0 40 IHAB COc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1OCC(=O)N1CCOCC1 12419272 AFORJUYJBKAKLB-UHFFFAOYSA-N 446.503 3.852 0 40 IHAB O=C(NC1CCCCC1)[C@@H](c1ccncc1)N(C(=O)c1csnn1)c1cccc(F)c1 12472005 VBUCHHSFMTZYMB-HXUWFJFHSA-N 439.516 3.909 0 40 IHAB O=S(=O)(c1ccc(SCc2ccccc2)nc1)N1CCN(Cc2ccccc2)CC1 12632562 RYNMNCUIKWHSAN-UHFFFAOYSA-N 439.606 3.880 0 40 IHAB Cc1nnc2sc(-c3ccc(CNC(=O)c4c(F)c(F)c(F)c(F)c4F)cc3)nn12 12651694 USGUFMQWFGMVSP-UHFFFAOYSA-N 439.369 3.787 0 40 IHAB C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1cccc(C2SCCS2)c1 12849147 VMSWANPMVRCYEL-LBPRGKRZSA-N 426.560 3.610 0 40 IHAB CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)Nc1ccc(Br)cc1Cl 12884127 RXQNJOULBNLVEM-LJQANCHMSA-N 448.704 3.650 0 40 IHAB CCCC[C@H](CC)CNC(=O)CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O 12898274 HWQGTKVQVVSWPY-UWJYYQICSA-N 426.561 3.744 0 40 IHAB biogenic C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)COc1ccc(C(C)(C)C)cc1 12904898 DHAWTYUYEKCVSR-QGZVFWFLSA-N 437.540 3.585 0 40 IHAB C[C@H](NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O)c1ccc(Br)cc1 12980071 XTPKEOOZHFKXIE-ZDUSSCGKSA-N 445.338 3.988 0 40 IHAB COc1ccc(Oc2cc(NC(=O)Cn3ncc4ccccc4c3=O)ccc2OC)cc1 13007935 XWBUZVNIUIYRRZ-UHFFFAOYSA-N 431.448 3.845 0 40 IHAB COC(=O)c1ccccc1NC(=O)COC(=O)C1C[C@@H]2CCC[C@H](C1)C21SCCS1 13027567 MYJWOXOZEYHZNB-MQVJKMGUSA-N 449.594 3.958 0 40 IHAB O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(OCc2cn3ccccc3n2)cc1 13118112 DKKAGNPNRPVSJC-QFIPXVFZSA-N 426.520 3.918 0 40 IHAB CC(=O)c1cccc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c1 13584774 LDZOCGVUADEQOR-UHFFFAOYSA-N 438.505 3.732 0 40 IHAB Cc1ccc(CSCCNC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)cc1 14185985 QDWMEOCHBFCLKF-UHFFFAOYSA-N 441.018 3.772 0 40 IHAB O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1ccc2c(c1)OCCO2 14869763 CDEQDCVXYMZDIB-UHFFFAOYSA-N 436.917 3.538 0 40 IHAB Cc1ccc(CN(C(=O)c2cc(=O)c3c(C)cc(C)cc3o2)[C@@H]2CCS(=O)(=O)C2)cc1 15831239 MFUIYTOZXJNXSB-LJQANCHMSA-N 439.533 3.548 0 40 IHAB CN(CC(=O)Nc1cc(Cl)ccc1-n1cncn1)Cc1ccccc1Br 16562740 CMJAVRABNOGIJO-UHFFFAOYSA-N 434.725 3.754 0 40 IHAB CC1CCN(C(=O)Cn2c([C@H]3CC(=O)N(Cc4ccc(F)cc4)C3)nc3ccccc32)CC1 16902586 ZCHCTMBULVAMOO-FQEVSTJZSA-N 448.542 3.950 0 40 IHAB CC(C)(C)c1ccc(OCC(=O)N2CC[C@H](c3cc(O)nc(-c4ccncc4)n3)C2)cc1 19084491 XSSPROAPTMYIHX-SFHVURJKSA-N 432.524 3.937 0 40 IHAB CN(C)C(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCCN(C(=O)c2ccccn2)C1 19579316 AFBKOKRPRKOZLR-AREMUKBSSA-N 428.536 3.697 0 40 IHAB Cc1cnc(C(=O)N2CCCC[C@@H]2c2ncc(C(=O)Nc3ccc(F)cc3)c(C)n2)cn1 19765091 FMGSTLHABQVVEN-HXUWFJFHSA-N 434.475 3.642 0 40 IHAB Cc1ccccc1[C@H](NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O)c1ccccc1 20108764 KNPYPHFZGNOLBI-HSZRJFAPSA-N 426.513 3.806 0 40 IHAB CC(C)NC(=O)[C@@H](C)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)COc3ccccc3)[C@@H](C)[C@@H]2[C@H]1O 20466893 OYVBJTTUCKSPOW-UXSJUTMFSA-N 444.616 3.534 0 40 IHAB biogenic,in-vitro C[C@H](Sc1nc(COc2ccc(Cl)cc2)n[nH]1)C(=O)Nc1ccc2c(c1)OCO2 21261887 LJQGWWZKRQZPFG-NSHDSACASA-N 432.889 3.885 0 40 IHAB CC(C)Oc1cccc(CNC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c1 22361819 HCYJEOLFAFTIBT-UHFFFAOYSA-N 445.368 3.863 0 40 IHAB CCOc1cccc(N(CC(=O)N[C@H](CC(C)C)c2ccc(OC)cc2)S(C)(=O)=O)c1 22398464 KXXZIHYZCWPMAE-JOCHJYFZSA-N 448.585 3.764 0 40 IHAB Cc1cccc2sc(N(CCCN3CCOCC3)C(=O)COc3ccccc3)nc12 22997341 KVZRNLPZPCBXRG-UHFFFAOYSA-N 425.554 3.739 0 40 IHAB COc1ccc(NC(=O)Cn2cccc(-c3nc(-c4ccc(Cl)cc4)no3)c2=O)cc1 23126134 ZHZCAZCYZSSWJT-UHFFFAOYSA-N 436.855 3.866 0 40 IHAB Cc1nc2sc([C@H](c3ccc(Br)cc3)N3C[C@@H](C)O[C@H](C)C3)c(O)n2n1 23157039 KBVFGQXDEVQCEJ-HFAKWTLXSA-N 437.363 3.766 0 40 IHAB CC(C)c1c(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cnn1-c1ccc(F)cc1 24539252 AFEZHJPTNJHKBH-UHFFFAOYSA-N 430.505 3.637 0 40 IHAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)N[C@@H](c1ccccc1)c1cc2ccccc2o1 24709239 KEHAACORCKCZOE-QFIPXVFZSA-N 431.492 3.893 0 40 IHAB O=C(c1ccccc1-c1ncc(-c2ccc(F)cc2)o1)N1CCN(c2cnccn2)CC1 25344253 VKDRJCDBFIFGSK-UHFFFAOYSA-N 429.455 3.900 0 40 IHAB CC(=O)CCc1ccc(OC[C@H](O)CN2CCN(c3cc(Cl)ccc3C)CC2)cc1 25638271 SDIARYLNUJEAQG-JOCHJYFZSA-N 430.976 3.732 0 40 IHAB O=C(CCc1nc(-c2ccsc2)no1)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1 27977461 DLTAUWYXGPPGLX-QGZVFWFLSA-N 441.513 3.670 0 40 IHAB CC(=O)Nc1cccc(C(=O)NCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 29153582 HQEHWSIHOFVULS-UHFFFAOYSA-N 448.489 3.606 0 40 IHAB CCOc1ccc(-c2nc(NC(=O)C3CCN(S(=O)(=O)CC)CC3)sc2C)cc1 32744466 XFXDGEMALJOMLT-UHFFFAOYSA-N 437.587 3.517 0 40 IHAB COc1ccc([C@H]2CCCN2Cc2nnc(C(=O)NCc3ccc(F)cc3)s2)cc1 32778009 ADLYHNORWBBOFT-LJQANCHMSA-N 426.517 3.953 0 40 IHAB O=c1cc(CSc2ccccc2NS(=O)(=O)c2cccs2)nc2ccccn12 33026354 DKRFPICHOXHMLU-UHFFFAOYSA-N 429.548 3.849 0 40 IHAB COc1cc(OC)c(NC(=O)CSCc2cc(=O)n3cccc(C)c3n2)cc1Cl 33026725 ZSIJRDAAMPICSS-UHFFFAOYSA-N 433.917 3.545 0 40 IHAB COc1c(C(=O)NCC(C)C)cn(C)c1-c1nc2cc(NC(=O)CC(C)C)ccc2n1C 36370098 IZVWZGRMAYBKFK-UHFFFAOYSA-N 439.560 3.958 0 40 IHAB biogenic CCCOC(=O)c1c(NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)sc2c1CCCC2 36614197 QYQFTVRVNLWSNO-HUUCEWRRSA-N 446.569 3.698 0 40 IHAB CN(C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O)C1CCCCC1 38752457 BOICXJZBTOYNSC-UHFFFAOYSA-N 430.570 3.823 0 40 IHAB CS(=O)(=O)N1C[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)Oc2ccc(Cl)cc21 38835050 PWDFRLNHNPXRAL-OAHLLOKOSA-N 435.716 3.813 0 40 IHAB CCOc1ccc(NC(=O)[C@@H]2CCCc3ccccc32)cc1S(=O)(=O)N1CCCC1 40058765 VRDFAXYNPCANBH-HXUWFJFHSA-N 428.554 3.928 0 40 IHAB O=C(CSc1nnc(CCc2nc3ccccc3[nH]2)o1)NCCc1ccc(Cl)cc1 49029012 WDYAJSUYSRWHBD-UHFFFAOYSA-N 441.944 3.836 0 40 IHAB COCc1nnc(NC(=O)CCCN2C(=O)c3ccccc3N[C@@H]2c2ccccc2)s1 61720936 BVBIYYUNQSOYAR-FQEVSTJZSA-N 437.525 3.670 0 40 IHAB O=C(C[S@@](=O)Cc1csc(Br)c1)Nc1ccc2c(c1)OC(F)(F)O2 64830565 YMAFHAQMPOSMIB-XMMPIXPASA-N 438.271 3.720 0 40 IHAB COC(=O)c1cc(OCC(=O)Nc2ccc(Cl)cc2)c2cc(OC)c(OC)cc2n1 65033488 QODFFSNLBRGVBG-UHFFFAOYSA-N 430.844 3.710 0 40 IHAB O=C1N[C@]2(COC3(CCN(Cc4ccc(F)c(F)c4)CC3)C2)Nc2ccc(Cl)cc21 72325600 WMSUNYZCBKSZCF-JOCHJYFZSA-N 433.886 3.925 0 40 IHAB CCCc1ncc(CN2CCCC[C@H]3CN(C(=O)c4cccc(OC)c4OC)C[C@H]32)cn1 72330689 SJSKSHOHPGDAQW-PZJWPPBQSA-N 438.572 3.573 0 40 IHAB CCCN1CCN(Cc2cnn(C)c2)[C@H](Cc2ccccc2-c2ccccc2OC)C1=O 72351497 AEISBXHOMHZBPI-XMMPIXPASA-N 432.568 3.761 0 40 IHAB Cc1nn(C)cc1C(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(Cc1ccc(F)cc1)CCC2 72372904 FEHALVMCWLVMHT-JOCHJYFZSA-N 448.546 3.896 0 40 IHAB O=C(CCS(=O)(=O)c1ccccc1)N[C@H]1CCC[C@@H](OC(=O)Nc2ccccc2)C1 77200207 ADMDZWIYLYWXLJ-RBUKOAKNSA-N 430.526 3.527 0 40 IHAB O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1cc(Cl)cc2[nH]cnc12 96006460 RVQPENVICPEMIU-UHFFFAOYSA-N 432.933 3.572 0 40 IHAB O=C1[C@@H]2C[C@@H](CN2C(=O)c2ccc(Cl)cc2)Oc2ccccc2N1Cc1cccnc1 96111656 KBROZMSNOSJZOA-FPOVZHCZSA-N 433.895 3.944 0 40 IHAB biogenic,in-vitro CCOc1cc(/C=C2/SC(=O)NC2=O)ccc1OCC(=O)N1CCCc2ccccc21 96191237 GEBKKUFCRGTMKU-DEDYPNTBSA-N 438.505 3.767 0 40 IHAB CCc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)N2CCCN2[C@H]3c2ccc(Br)cc2)cc1 100165901 UMVPNPOVKATLAH-UFYCRDLUSA-N 440.341 3.547 0 40 IHAB Cc1ccn2c(NC(=O)CCN3C(=O)[C@H]4CCCC[C@H]4C3=O)c(-c3ccc(F)cc3)nc2c1 103588927 FODNERFBGCBROE-KDURUIRLSA-N 448.498 3.953 0 40 IHAB COc1ccc(S(=O)(=O)NCc2nc(-c3cccc(C)c3)no2)c(Cl)c1Cl 104571023 WTBFJAZBBUKUHX-UHFFFAOYSA-N 428.297 3.839 0 40 IHAB Cn1cc(-c2nc(C(=O)N3CCO[C@@H](c4ccc(Br)cc4)C3)cs2)cn1 109045373 MTWHZBYWSAWTRD-MRXNPFEDSA-N 433.331 3.520 0 40 IHAB CC[C@H](C(=O)N[C@H](C)c1ccc(F)cc1)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 220752788 SWKLBJYSAKSCHX-FZKQIMNGSA-N 442.940 3.910 0 40 IHAB Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)NCCCN1CCc2ccccc2C1 223138268 PPKFBGDQDBEHIY-BWAHOGKJSA-N 443.547 3.924 0 40 IHAB CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(C(C)(C)C)cc1 223997136 HXXPVJPENMEGDJ-GOSISDBHSA-N 426.557 3.925 0 40 IHAB COc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)N(C)Cc3cccc(F)c3)c2)cc1 224503978 UUXYVJBAMCIWIK-UHFFFAOYSA-N 442.512 3.932 0 40 IHAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1cccc(C(F)(F)F)c1 225060309 LDPMVCQGELYWHP-SFHVURJKSA-N 444.475 3.575 0 40 IHAB C[C@H]1C[C@H](C)CN(c2cc(Cl)nc(NC(=S)NCc3ccc4c(c3)OCO4)n2)C1 226013861 QLIYAOMAQRSQIE-STQMWFEESA-N 433.965 3.828 0 40 IHAB CCN(CC(=O)Nc1ccc2sncc2c1)S(=O)(=O)c1ccc(OC)c(Cl)c1 226071080 ITDLTRAMJRFNMJ-UHFFFAOYSA-N 439.946 3.608 0 40 IHAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OCC[C@@H](O)CN1CCN(Cc3ccc4c(c3)OCO4)CC1)C2 227087791 ICIPEATVNUOASK-IMBWNBOCSA-N 444.616 3.515 0 40 IHAB CCN1CCN(C(=O)c2cccc(O)n2)C[C@@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 257340259 ZFFYJXFTOBCAQE-HXUWFJFHSA-N 447.510 3.757 0 40 IHAB CCOc1ccc(N([C@H](CC)C(=O)N[C@H](CC)c2ccc(OC)cc2)S(C)(=O)=O)cc1 260588087 FXATXCSYNGIEAO-FGZHOGPDSA-N 448.585 3.906 0 40 IHAB Cc1ccc(S(=O)(=O)n2cc(I)c3ccnc(Cl)c32)cc1 306145245 XFSLPQUJCAJXKP-UHFFFAOYSA-N 432.670 3.840 0 40 IHAB C[C@@H](CCc1ccccc1)NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 408617253 CICGFCFXNWYPPT-HNNXBMFYSA-N 428.476 3.609 0 40 IHAB Cc1ccc(C)c(N2C[C@H](C(=O)OCC(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)c1 408663497 YKQFXCFBWPCASM-OAHLLOKOSA-N 434.414 3.857 0 40 IHAB CCc1cccc2c(/C=C3\SC(=O)N(CC(C)C)C3=O)cn(CC(=O)NCCOC)c12 409128024 HHRXROOHBSMGRQ-ODLFYWEKSA-N 443.569 3.659 0 40 IHAB COc1cc(C(=S)N2CCOCC2)ccc1OCC(=O)Nc1c(C)cc(C)cc1C 409233768 WZUIGLHYIPGKBC-UHFFFAOYSA-N 428.554 3.646 0 40 IHAB O=C(O)COc1ccccc1/C=C1/SC(=O)N(CC(=O)c2ccc(Cl)cc2)C1=O 409359931 OGZSWDRHCHAELL-RQZCQDPDSA-N 431.853 3.723 0 40 IHAB Cc1nc2cc([C@@H]3CCCN3C(=O)[C@@H]3C[C@@H]3C)nn2c(C)c1CCC(=O)NC1CCCC1 409412789 FPKFMCMTQNOQCS-GNSUPJDDSA-N 437.588 3.657 0 40 IHAB Cc1cc(F)cc2c1CN(CC(=O)N1c3ccccc3NC(=O)C[C@@H]1C(F)(F)F)CC2 502930550 KPFOLFLXDLLMFS-LJQANCHMSA-N 435.421 3.799 0 40 IHAB C[C@]1(NC(=O)[C@@H]2CCC(=O)c3ccccc32)CCN(C(=O)[C@H]2CCC(=O)c3ccccc32)C1 647728427 CMJQZLWGKBPFQH-VHSZZVNMSA-N 444.531 3.614 0 40 IHAB COC(=O)c1cc(OC)c(OC)cc1Nc1ncncc1-c1nc(-c2ccsc2)no1 1775972192 CQBVDGLSFQFAEJ-UHFFFAOYSA-N 439.453 3.803 0 40 IHAB COc1ccc(Cl)cc1N(CC(=O)Nc1cccnc1)S(=O)(=O)c1ccc(C)cc1 880029 ARJVERYOKBSVFB-UHFFFAOYSA-N 445.928 3.886 0 40 IHAB Cc1ccc2c(c1)cc(CN(Cc1cccnc1)C(=O)NCc1ccccc1)c1nnnn12 1367187 NOSKAMLTKOWYGA-UHFFFAOYSA-N 437.507 3.893 0 40 IHAB CC(C)(C)C(=O)N(CCc1ccccc1)CC(=O)Nc1sc2c(c1C(N)=O)CCCC2 1368316 WIBFIQSNEFRSOK-UHFFFAOYSA-N 441.597 3.782 0 40 IHAB CCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCN(C)C)cc1OC 2407950 VDCOLNYJQPPPGN-QFIPXVFZSA-N 436.508 3.697 0 40 IHAB CCN(CC)C(=O)c1ccc(NC(=O)COc2ccc(C=O)cc2Br)cc1 3450683 KNZQJSZNCRPQOR-UHFFFAOYSA-N 433.302 3.761 0 40 IHAB COCCn1c(SCC(=O)Nc2c(F)cccc2F)nc2cc(Cl)ccc2c1=O 3494170 JKZSFCZKACSWGP-UHFFFAOYSA-N 439.871 3.705 0 40 IHAB CCOc1ccccc1-n1nnnc1SCC(=O)Nc1ncc(Cl)c(C)c1Cl 3496787 SGWBWPGTIMTAEP-UHFFFAOYSA-N 439.328 3.802 0 40 IHAB Cc1ccc(Cn2c(=O)c3ccccc3n3c(SCC(=O)N[C@H](C)C(C)C)nnc23)cc1 3511909 LBJKMEMKZAMGER-QGZVFWFLSA-N 449.580 3.654 0 40 IHAB CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CCCCC3)cc2c1 6198073 KRLADMIXNDNSGJ-QHCPKHFHSA-N 446.530 3.840 0 40 IHAB CCOC(=O)c1ccc2c(c1)nc(C1CCN(S(=O)(=O)c3cccs3)CC1)n2CC 6467667 BENFIQSABZDVAW-UHFFFAOYSA-N 447.582 3.863 0 40 IHAB CCOC(=O)[C@](NC(=O)c1cccnc1)(Nc1ccccc1C(F)(F)F)C(F)(F)F 8629626 WJQOFFYUMRXVCV-MRXNPFEDSA-N 435.324 3.764 0 40 IHAB biogenic CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(NCCC(C)C)s1 8912477 ABXNHWGCHYXIBX-UHFFFAOYSA-N 430.617 3.926 0 40 IHAB O=C(Nc1ccc2c(c1)OCO2)[C@H]1CC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1 9199176 OFAZOIWOCCQIEI-AWEZNQCLSA-N 425.872 3.580 0 40 IHAB CC(C)[C@@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)N2CCc3ccccc32)n1C 9263407 WRWQGBBCSAAFRN-OAQYLSRUSA-N 449.580 3.624 0 40 IHAB COc1ccc(OC)c2[nH]c(=O)c(CCNC(=O)C(C)(C)Oc3ccc(Cl)cc3)cc12 9428231 DFTNYXHPTPEUKG-UHFFFAOYSA-N 444.915 3.715 0 40 IHAB O=C(COCc1nc2ccccc2s1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 9513897 SATDMZCAWDIAKL-UHFFFAOYSA-N 445.566 3.626 0 40 IHAB Cc1ccc(NC(=O)Cn2c(=O)n(CCc3ccccc3)c(=O)c3ccccc32)c(C)c1 9616803 UBAYLGWVWOJIBJ-UHFFFAOYSA-N 427.504 3.661 0 40 IHAB CCCNC(=O)c1cnn2c1N[C@H](c1cc(OC)c(OC)c(OC)c1)C[C@H]2C(F)(F)F 9780776 DMNOZQIAOFFZJZ-BBRMVZONSA-N 442.438 3.709 0 40 IHAB C[C@H](Sc1nc2ccccc2o1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 9792809 NGUBQOXKENYZFP-AWEZNQCLSA-N 431.539 3.732 0 40 IHAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NCCCn1cnc2ccccc21 9859984 OBQZKHZJXGOQLQ-UHFFFAOYSA-N 426.524 3.988 0 40 IHAB Cc1occc1-c1nnc(S[C@@H](C)c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)n1N 9959715 XEFOWBAKXOWLFD-KOLCDFICSA-N 442.570 3.836 0 40 IHAB Cc1ccc(Oc2ccc(NC(=O)COC(=O)c3ccc(S(C)(=O)=O)cc3)cc2)cc1 9962977 CBESQEUWNFPSME-UHFFFAOYSA-N 439.489 3.986 0 40 IHAB CCc1ccccc1NC(=O)CN(C)CC(=O)Nc1cc2c(cc1Cl)OCCCO2 10050548 CRMNTMSRBAWZMX-UHFFFAOYSA-N 431.920 3.573 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3c3ccccc3Cl)CC2)cc1C 10086386 UHIAAAKMABZWAN-WOJBJXKFSA-N 432.973 3.593 0 40 IHAB Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3cccc(C)c3C)n(C)c2=O)c1 10104905 GTXSTRFMGPWJFR-UHFFFAOYSA-N 443.551 3.720 0 40 IHAB COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](c1cccc2ccccc12)N(C)C 10333783 OMPKBZHWNKFAHG-HXUWFJFHSA-N 425.916 3.859 0 40 IHAB CS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)NCCc2ccccc2)cc1 10434197 LOUMLFQFMWBASZ-UHFFFAOYSA-N 426.513 3.764 0 40 IHAB COc1ccccc1N(C(C)=O)c1nc(CSc2ncnc3c2cnn3C)cs1 11683340 OYKVTABNNGZDKB-UHFFFAOYSA-N 426.527 3.805 0 40 IHAB COc1ccc(-c2ccc(OC)cc2C(=O)N2CCC(C(=O)c3ccnn3C)CC2)cc1 12156166 YOEXJSDPNAWZFW-UHFFFAOYSA-N 433.508 3.839 0 40 IHAB COc1ccc2nc(-c3ccc(C)c(NS(=O)(=O)c4cc(F)ccc4F)c3)cn2n1 12441335 YYZTWZPHPIKKMW-UHFFFAOYSA-N 430.436 3.792 0 40 IHAB COc1ccc(NC(=O)CN2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)cc1Cl 12562204 MEINQBHETVKXAJ-NRFANRHFSA-N 443.931 3.567 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)C)cc1/N=c1\scc(-c2ccco2)n1C[C@H]1CCCO1 12659681 OHFJMGKDQKTSCX-YIYXVTKBSA-N 447.582 3.780 0 40 IHAB Cc1ccc(F)cc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 12746143 XVOQJFOJHDVTRS-INIZCTEOSA-N 442.516 3.677 0 40 IHAB Cc1cc(C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)c(C)s1 12883696 ZJODJORZTNKVNP-UHFFFAOYSA-N 433.382 3.818 0 40 IHAB Cc1noc(C)c1COc1cccc(C(=O)NCc2ccccc2CN2CCOCC2)c1 13117552 TVJZKWKBGRGURU-UHFFFAOYSA-N 435.524 3.633 0 40 IHAB CC(C)(C)c1ccc(-c2nnc(SCC(=O)N3CCC(c4ccccc4)=N3)n2N)cc1 13120199 UQDMDTSQTLTJSU-UHFFFAOYSA-N 434.569 3.685 0 40 IHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(OCC(=O)NCCc2cccs2)cc1 14182900 NGPBKWVIRVYZLK-UHFFFAOYSA-N 444.578 3.701 0 40 IHAB COc1cc(OC)cc(C(=O)Nc2nc(CC(=O)Nc3cccc(C(C)=O)c3)cs2)c1 15881041 DVRPSNZQFASNCN-UHFFFAOYSA-N 439.493 3.796 0 40 IHAB O=C(CNS(=O)(=O)c1cc(Cl)ccc1Cl)Nc1ccccc1Br 16084777 YRZVTNFRSALFPN-UHFFFAOYSA-N 438.130 3.673 0 40 IHAB COc1cccc([C@H]2[C@@H]3C(=O)N(c4cccc(OC)c4)C(=O)[C@H]3ON2c2ccccc2)c1 18179787 NWCVKNREMOYHHI-VABKMULXSA-N 430.460 3.755 0 40 IHAB Cc1ccc(-c2ccc(C[C@]3(C(N)=O)CCCN(C(=O)CCn4nccc4C)C3)cc2)cc1 19212368 CFSQYOWNGODTBU-HHHXNRCGSA-N 444.579 3.894 0 40 IHAB COCCN(C(=O)c1nsc(Cl)c1Cl)c1nc2c(s1)CCc1c-2cnn1C 19289590 XDDAVMWDMJQSPC-UHFFFAOYSA-N 444.369 3.699 0 40 IHAB C[C@H]1CCC[C@@H](C)N1C(=O)c1c[nH]nc1C1CCN(C(=O)c2cccc(N(C)C)c2)CC1 19496075 AIQIMYPXQFHGAE-HDICACEKSA-N 437.588 3.899 0 40 IHAB COc1ccccc1CC(=O)N1CCNC(=O)[C@H](Cc2ccccc2-c2cccs2)C1 19569676 ZZKRSAOAEMEFTO-HXUWFJFHSA-N 434.561 3.784 0 40 IHAB CNC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)CCc2ccncc2)C1 19591452 GDBQVBFRYGWKET-HHHXNRCGSA-N 427.548 3.889 0 40 IHAB CNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CCN(Cc2ccc(OC)c(OC)c2)C1 19591685 PNGBQDFHSJGFEL-MHZLTWQESA-N 445.563 3.947 0 40 IHAB CN(C)C(=O)c1sc2ncccc2c1[C@H]1CCN(C(=O)CCCN2CCCCCC2)C1 19702312 LYMZCAISCDMPAU-SFHVURJKSA-N 442.629 3.970 0 40 IHAB COc1ccc(CC(=O)N2CCC(c3ncc(C(=O)Nc4ccccc4)c(C)n3)CC2)cc1 19764167 PXPGSCBLOUHBQR-UHFFFAOYSA-N 444.535 3.995 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc1Cl 20488361 UFOXDLOWIORLBJ-UHFFFAOYSA-N 438.933 3.538 0 40 IHAB CCOc1ccc([C@H]2C(C(=O)OCCOC)=C(C)Nc3nc4ccccc4n32)cc1OC 20633412 KONDJQKJSVUTQV-QFIPXVFZSA-N 437.496 3.922 0 40 IHAB COc1ccc(NC(=O)Nc2cccc(OCc3cc(=O)n4ccccc4n3)c2)c(OC)c1 21156666 MGXYETNGJVPABG-UHFFFAOYSA-N 446.463 3.935 0 40 IHAB CN(Cc1ccccc1Br)C(=O)CN1c2cccc3cccc(c23)S1(=O)=O 21232851 VQSDDPRZDSPQEI-UHFFFAOYSA-N 445.338 3.770 0 40 IHAB CCCn1c(CCC(=O)N[C@@H](C)C(C)C)nc2cc(S(=O)(=O)N(CC)CC)ccc21 21871757 ZAOTTWPZRJAFCS-KRWDZBQOSA-N 436.622 3.570 0 40 IHAB CC(C)Oc1cccc(CNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)c1 22334781 VJUFHCAGUZTKBO-UHFFFAOYSA-N 445.368 3.863 0 40 IHAB CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)Oc2ccccc21 22510864 AOIKTSKPXQZPAO-OAHLLOKOSA-N 434.823 3.525 0 40 IHAB O=C(CCSCc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 22529773 VKAPSYOWTRJINO-UHFFFAOYSA-N 428.539 3.539 0 40 IHAB COc1cc(C)c(CN2CCN([C@@H](C)C(=O)N[C@@H](C)c3ccc(F)cc3)CC2)cc1OC 22787213 ZMPAQJGCEGGOFL-OALUTQOASA-N 443.563 3.535 0 40 IHAB CCOc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)cc1 24608641 COYPYTSQGQXYLO-UHFFFAOYSA-N 436.961 3.919 0 40 IHAB Cc1ccc(OCc2nc(CC(=O)Nc3ccccc3NS(C)(=O)=O)cs2)cc1 24892451 VYTDUCGEFJDQBX-UHFFFAOYSA-N 431.539 3.583 0 40 IHAB Cc1ccc(C(=O)Nc2ccc(NC(N)=O)cc2)cc1NC(=O)c1ccc2c(c1)OCCO2 25886029 JFFSEAPBJRQCND-UHFFFAOYSA-N 446.463 3.761 0 40 IHAB Cc1cc2nc(C)c(CCC(=O)NCc3ccc(NC(=O)c4ccco4)cc3)c(C)n2n1 27181784 HCWNHFZVZXWNMT-UHFFFAOYSA-N 431.496 3.749 0 40 IHAB O=C(c1cc(=O)c2ccc(Br)cc2o1)N(Cc1ccco1)C[C@H]1CCCO1 27994583 IRHWXAWEEJSIGK-OAHLLOKOSA-N 432.270 3.970 0 40 IHAB COCCn1c(SCC(=O)N2CCN([C@@H](C)c3ccccc3)CC2)nc2ccccc21 29599840 GKAPKZLDDHLXGC-IBGZPJMESA-N 438.597 3.680 0 40 IHAB COCCn1c(SCC(=O)N(CC(F)(F)F)[C@H](C)C2CC2)nnc1-c1ccccc1 32721563 VHVVZHXNGWLMGB-CQSZACIVSA-N 442.507 3.873 0 40 IHAB CC(=O)Nc1cccc(-n2cnnc2S[C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)c1 32778425 DCUQBVRNUYSINN-GFCCVEGCSA-N 440.554 3.994 0 40 IHAB O=C(N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1)[C@H]1CC(=O)N(C2CC2)C1 32902945 ZQFXEGDGRAVHFH-MGPUTAFESA-N 442.441 3.798 0 40 IHAB CN(CC(=O)Nc1ccccc1SC(F)F)S(=O)(=O)c1ccc(Cl)s1 32986543 CEBPKEODOZTKKV-UHFFFAOYSA-N 426.919 3.975 0 40 IHAB Cc1ccc(-c2ccc(N3CCN(S(=O)(=O)/C=C\c4ccccc4)CC3)nn2)c(C)c1 36701794 UHRCKUJAMPSYJZ-ATVHPVEESA-N 434.565 3.883 0 40 IHAB CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccc2c(c1)OCCCO2 39979709 CMSHZLRQKCMBJW-QFIPXVFZSA-N 433.526 3.685 0 40 IHAB Cc1ccc(C(=O)C2CCN(c3ccc(S(=O)(=O)N4CCCC4)cn3)CC2)c(C)c1 40083201 SYIAFCJDLZWISU-UHFFFAOYSA-N 427.570 3.582 0 40 IHAB CCN(Cc1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)C(=O)OC(C)(C)C 40135052 HTMIEKUKTHGWCO-UHFFFAOYSA-N 437.496 3.922 0 40 IHAB Cc1c(C(F)(F)F)n[nH]c1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 58157189 IZNFJXOLSPFJHO-UHFFFAOYSA-N 438.431 3.814 0 40 IHAB CC1=NN(c2ccc(C(=O)Nc3c(C(=O)N4CCOCC4)oc4ccccc34)cc2)CC1 58189980 GRHKJXBJJTUSLN-UHFFFAOYSA-N 432.480 3.744 0 40 IHAB Cn1nnnc1-c1cccc(NC(=O)NCc2cccc(NC(=O)Nc3ccccc3)c2)c1 58247621 IILNXSZTEVITIM-UHFFFAOYSA-N 442.483 3.843 0 40 IHAB CCn1c(SCC(=O)NCc2ccc3c(c2)OCCCO3)nnc1-c1cccs1 64987070 IDEYSWCGNJLHPZ-UHFFFAOYSA-N 430.555 3.596 0 40 IHAB COc1ccc([C@@H](C)NC(=O)CCn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)cc1 67261156 HQSINAIMUPPVME-MRXNPFEDSA-N 434.471 3.578 0 40 IHAB COC(=O)[C@H](CCSC)NC(=O)Cn1ccc2cc(OCc3ccccc3)ccc21 72325952 DEKMYYBWDNWYPT-FQEVSTJZSA-N 426.538 3.631 0 40 IHAB biogenic O=C1NCCN(C(=O)CCc2ccc(Cl)cc2)[C@@H]1Cc1ccccc1-c1cccnc1 72351527 GHGYQUJXDLOLGY-HSZRJFAPSA-N 433.939 3.904 0 40 IHAB CCCn1cc(S(=O)(=O)N2CCC[C@H]2c2cccc(Nc3cccc(C)n3)n2)c(C)n1 72375822 OPEGCRUZUUVGPT-IBGZPJMESA-N 440.573 3.969 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H]1c1cncc(Nc2cccc(C)n2)n1 72376351 KFJSNZFADCJESE-GOSISDBHSA-N 439.541 3.766 0 40 IHAB Cc1ccc(-c2cc(C[C@@]3(C(=O)N(C)C)CCCN(C(=O)c4ccccn4)C3)on2)cc1 72396009 OJHUXEMVJUGCRV-VWLOTQADSA-N 432.524 3.598 0 40 IHAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@H](c1ccccc1OC(F)(F)F)CC(O)=N2 72404979 JIBMUFDYBXKILZ-NSHDSACASA-N 429.362 3.869 0 40 IHAB COc1ccc(OC)c2c1CN(C(=O)/C=C/c1ccc(OCc3ccccn3)cc1)C[C@@H]2O 78307652 ZNRQUQHJWJQAHB-SYZXBLONSA-N 446.503 3.767 0 40 IHAB CC(C)(C)OC(=O)NC[C@H]1CCCC[C@]12NC(=O)N(CCCOc1ccc(F)cc1)C2=O 95405521 KWZCAMFASZLIQG-MWTRTKDXSA-N 449.523 3.600 0 40 IHAB Cc1ccc(C(=O)NCCCn2c(=O)c(C)nc3ccccc32)cc1NC(=O)c1ccco1 95456639 UQOLXDOVFBXGKJ-UHFFFAOYSA-N 444.491 3.679 0 40 IHAB O=C1CCCN1C[C@H]1CCCCN1Cc1ncc(Br)cc1Br 96013597 SCTIALPHHZMJMV-CYBMUJFWSA-N 431.172 3.584 0 40 IHAB O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1cccc2c1ccn2Cc1ccccc1 96115109 WEBHMBGICHOJPQ-QFIPXVFZSA-N 438.487 3.769 0 40 IHAB biogenic COc1cc2c(c3oc(-c4ccccc4)cc(=O)c13)[C@H](c1cnn3cccnc13)CC(=O)O2 96115636 JIJYTRYAFQRIFH-HNNXBMFYSA-N 439.427 3.952 0 40 IHAB biogenic O=C(NCCc1cccnc1)c1cc(-c2csc(-c3cnccn3)n2)n2ccccc12 96154848 NZAZSZYSRIJDGU-UHFFFAOYSA-N 426.505 3.887 0 40 IHAB COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]32)cc1 100818607 OHNHTPFJJGKPLR-BQFCYCMXSA-N 438.530 3.549 0 40 IHAB COc1cccc(C(=O)COc2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@H]6C[C@H]56)[C@@H]4C3=O)cc2)c1 100846006 SJLOWJZQCCYZGS-XPUPLBFISA-N 429.472 3.514 0 40 IHAB CCOC(=O)[C@@H]1[C@H]2NC(=S)N(c3ccc(F)cc3)[C@@]1(C)Oc1c(OCC)cccc12 102866254 UKBLHBSJXGUZNM-SPEDKVCISA-N 430.501 3.948 0 40 IHAB CCCCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 104243151 JJLJXYKCVDVFKY-FHWLQOOXSA-N 449.617 3.684 0 40 IHAB COc1ccc(CNC(=O)N2CCC[C@H](Cc3nc(-c4ccsc4)no3)C2)cc1OC 207017245 RICWGIABFIWMRN-MRXNPFEDSA-N 442.541 3.980 0 40 IHAB Cc1nn(C(C)C)cc1S(=O)(=O)N1[C@H]2CC[C@@H](C2)[C@@H]1c1nc(-c2ccccc2)no1 208571649 ZTKUJPSWWNSXBB-JENIJYKNSA-N 427.530 3.737 0 40 IHAB C[C@H](C(=O)NCc1ccc(Cl)cc1)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 220192607 JTEWOGNTKYPDQK-GFCCVEGCSA-N 434.867 3.830 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N(C)c3ccc(F)cc3)cc2)cc1 222699358 XQRKLFPFLMFWKS-UHFFFAOYSA-N 444.484 3.677 0 40 IHAB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Br)s1 223711288 YTCSWSHSQBXKNM-HZPDHXFCSA-N 440.388 3.831 0 40 IHAB CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1c(F)cccc1Cl 225495830 YNVIYSCRGKJNGM-LBPRGKRZSA-N 441.728 3.947 0 40 IHAB CC[C@@H](C(=O)NCc1cccc(C(F)(F)F)c1)N(c1cccc(C)c1)S(C)(=O)=O 225679693 QUVWGZVUXOUTSD-SFHVURJKSA-N 428.476 3.875 0 40 IHAB CS(=O)(=O)N1CCc2cc(C(=O)N3[C@H]4CC[C@H]3CC(c3ccc(F)cc3)C4)ccc21 247547887 UZXQNYIHIAWJJJ-SFTDATJTSA-N 428.529 3.699 0 40 IHAB CC(C)(C)OC(=O)NC[C@@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 255994572 PKJSHTUXTOKIBY-LJQANCHMSA-N 428.485 3.550 0 40 IHAB in-vitro Cc1cc(N(C)C)nc([C@]2(C)CCCN(C(=O)c3cccc(Oc4ncccn4)c3)C2)n1 257203450 AQCRAYFUYHILGN-XMMPIXPASA-N 432.528 3.627 0 40 IHAB Cc1cc(Nc2nc(C)c(C)s2)cc([C@H]2CCN(S(=O)(=O)c3c(C)noc3C)C2)n1 257213177 CGLZRUBEUKSUSJ-INIZCTEOSA-N 447.586 3.990 0 40 IHAB O=C(CCCNc1ncnc2ccccc12)N1CCC[C@@H]1c1cccc(-n2ccnc2)n1 257213601 CIGYGITUTFKTIA-OAQYLSRUSA-N 427.512 3.766 0 40 IHAB Cc1cc(Nc2ccnc(C[C@@H]3COC4(CCN(C(=O)OC(C)(C)C)CC4)C3)n2)[nH]n1 257216151 CTJPNYANSQHVOC-INIZCTEOSA-N 428.537 3.600 0 40 IHAB CCc1n[nH]c(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4N(C(C)=O)[C@H]3Cc2ccccc2)c1C 257248607 JEKLWKOKCISRDH-FMLGWJCWSA-N 434.584 3.896 0 40 IHAB Cn1nc(C(C)(C)C)cc1C(=O)N1CCNC(=O)[C@H]1Cc1ccc(-c2cccs2)cc1 257309776 UCIDYMFQQGOZHJ-GOSISDBHSA-N 436.581 3.629 0 40 IHAB O=C1O[C@]2(CCN(C(=O)c3ccccc3CN3CCCCC3)C2)CN1Cc1ccccc1 257337649 YTTHFTNLTZOGSG-SANMLTNESA-N 433.552 3.910 0 40 IHAB CCc1ccc(N(CCCC(=O)N[C@H](C)c2cc(OC)ccc2OC)S(C)(=O)=O)cc1 260798163 PQCOUFJPBOUCAQ-QGZVFWFLSA-N 448.585 3.690 0 40 IHAB CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(OCC)cc2)c(Cl)c1 408635752 IHMSZOHFFBKRIV-UHFFFAOYSA-N 440.949 3.835 0 40 IHAB COc1ccc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)c(OC)c1OC 408929769 NVVIPIPWABTBQL-XNTDXEJSSA-N 447.285 3.568 0 40 IHAB CCn1c(CNC(=O)c2ccccc2C)nn(CC(=O)Nc2c(C)cccc2C)c1=S 409166105 BMWHPSVHHLJXJF-UHFFFAOYSA-N 437.569 3.928 0 40 IHAB O=C(C(=O)N1CCCN(C(=O)C(=O)c2ccc(F)cc2)c2ccccc21)c1ccc(F)cc1 542555926 YTYAXMYPQNIFOE-UHFFFAOYSA-N 448.425 3.800 0 40 IHAB COc1ccc(-c2cc(CNS(=O)(=O)Cc3ccc(C(F)(F)F)cc3)ncn2)cc1 585360178 LSEBSDPLTLCCJO-UHFFFAOYSA-N 437.443 3.791 0 40 IHAB CC1CCN(CCC(=O)N2CCCCN(C)C(=O)c3cc(Cl)ccc3OCC2)CC1 643556096 FEKAQADECKGTAY-UHFFFAOYSA-N 435.996 3.535 0 40 IHAB O=C(CCSc1nc2ccccc2n1S(=O)(=O)c1ccccc1)N1CCCCC1 645150 BVVTZMODQZXLSI-UHFFFAOYSA-N 429.567 3.768 0 40 IHAB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccccc3C(F)(F)F)CC2=O)c(C)c1 1289399 REPPJPBDNRBLDE-HNNXBMFYSA-N 434.414 3.857 0 40 IHAB CC[C@H]1Oc2ccc(C)cc2N(CC(=O)N(Cc2ccc(F)cc2)C[C@H]2CCCO2)C1=O 1362353 AYPDTDZCHWAETA-IFMALSPDSA-N 440.515 3.846 0 40 IHAB Cc1ccc2c(c1)cc(CN(Cc1cccnc1)C(=O)COc1ccccc1)c1nnnn12 1367199 PDQMXLLLWKAUBD-UHFFFAOYSA-N 438.491 3.589 0 40 IHAB COc1ccc(CCN2CN(S(=O)(=O)c3ccccc3)c3nc4ccccc4nc32)cc1 2417197 GLWSOKHAZUAAGQ-UHFFFAOYSA-N 446.532 3.854 0 40 IHAB COc1ccc(Cl)cc1NC(=O)c1nnn(Cc2cccc(C(F)(F)F)c2)c1N 2686634 UHWTTXPQLHKMJS-UHFFFAOYSA-N 425.798 3.842 0 40 IHAB COC(=O)c1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccco1 3372614 NUOBNKHURJYICY-UHFFFAOYSA-N 449.488 3.555 0 40 IHAB COC[C@@H](C)NC(=O)CCSc1nc(-c2ccc3c(c2)OCO3)cc(C(F)(F)F)n1 3645241 KCSSNSKUZNWNJX-LLVKDONJSA-N 443.447 3.524 0 40 IHAB CCCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(C)c(C)c3)CC2=O)cc1 8383868 DWPPWLOHWFYWIC-HXUWFJFHSA-N 437.492 3.649 0 40 IHAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccc(N3CCCCC3)cc2)C1=O 8891684 VSULVROZGVVJBH-DEOSSOPVSA-N 438.503 3.612 0 40 IHAB COC[C@H](C)n1c(SCC(=O)N(C)Cc2ccc(C)cc2C)nc2ccccc2c1=O 8935967 FFGWSKXQUXASKY-SFHVURJKSA-N 439.581 3.971 0 40 IHAB O=C(COC(=O)Cn1c(C(F)(F)F)nc2ccccc21)NC12CC3CC(CC(C3)C1)C2 9156667 BYSFSTSKXCMRED-UHFFFAOYSA-N 435.446 3.683 0 40 IHAB CCN(CC(=O)Nc1ccccc1OC)C(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 9223261 YPRKIKWFQNKUFU-IBGZPJMESA-N 445.519 3.689 0 40 IHAB CCCc1nnc2n1N[C@@H](c1ccc(OC)cc1)[C@@H](C(=O)Nc1ccc(OC)cc1)S2 9239118 JSZCYAHILMRIFC-PMACEKPBSA-N 439.541 3.646 0 40 IHAB COc1ccc(C(=O)Nc2nc3c(s2)CC[C@H]3C(=O)Nc2ccc3c(c2)OCO3)cc1 9301592 ZXYBMTOLBHQRPF-OAHLLOKOSA-N 437.477 3.801 0 40 IHAB O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccccc1 9315616 BWQIPJVZIGUCGK-HSZRJFAPSA-N 427.504 3.793 0 40 IHAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1-c1ccc(F)cc1)N1CCOCC1 9382540 AEFONHMTZZWCOX-UHFFFAOYSA-N 437.500 3.506 0 40 IHAB C[C@@H](O)Cn1c(SCC(=O)Nc2c(Cl)cccc2Cl)nc2ccccc2c1=O 9508194 QRDOJXXJEYZQAV-LLVKDONJSA-N 438.336 3.815 0 40 IHAB C[C@H](OC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)C12CC3CC(CC(C3)C1)C2 9635202 QTVNURYZBFZAHL-RNXZQOMOSA-N 445.581 3.802 0 40 IHAB CCCCc1ccc(NC(=O)c2cn(C)c3c(=O)n(Cc4ccccc4)c(=O)[nH]c23)cc1 9659694 OPTRCCFYLGKMHK-UHFFFAOYSA-N 430.508 3.672 0 40 IHAB CCc1nc2ccccc2n1CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 9731320 XEJUAYOYMJLGKY-UHFFFAOYSA-N 440.569 3.802 0 40 IHAB O=C(CSc1nccn(-c2ccc(Br)cc2)c1=O)Nc1ccc(F)cc1 9761499 YILJHRGZWWAPSA-UHFFFAOYSA-N 434.290 3.865 0 40 IHAB CC1=C(C(=O)N2CCOCC2)[C@H](c2c(F)cccc2F)NC(=S)N1c1ccccc1 9793579 WMXSJDYUEWTVAB-HXUWFJFHSA-N 429.492 3.533 0 40 IHAB CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2OC32CCN(C(C)=O)CC2)cc1 10214370 KXGXRYILAGWINU-QFIPXVFZSA-N 435.524 3.976 0 40 IHAB CC(C)NC(=O)C1CCC(Cn2c(=O)c3sccc3n(Cc3ccccc3)c2=O)CC1 10273852 UUEKZYULYUPIPC-UHFFFAOYSA-N 439.581 3.604 0 40 IHAB COC(=O)Cn1c(C)c(CN2CCC[C@@H](n3c(=O)oc4ccccc43)C2)c2ccccc21 12089315 QVBFRULYUOEYFY-GOSISDBHSA-N 433.508 3.868 0 40 IHAB COc1cc(OC)c([C@@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3ncnn32)cc1OC 12467831 PQMIKCYZTBFGFU-JOCHJYFZSA-N 449.511 3.848 0 40 IHAB C[C@@]1(c2cc(F)ccc2F)NC(=O)N(C[C@H](O)Cn2c3ccccc3c3ccccc32)C1=O 12756162 QSULWKVZZNHWJU-CPJLOUKISA-N 449.457 3.901 0 40 IHAB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CN1C(=O)c2ccccc2C1=O 12793639 VWNOJGBXPISMQS-KRWDZBQOSA-N 441.487 3.755 0 40 IHAB C[C@H](Sc1nnc(-c2ccncc2)n1C1CC1)C(=O)N1c2ccccc2NC(=O)C1(C)C 12854073 NZJAWPPGGWTMND-AWEZNQCLSA-N 448.552 3.920 0 40 IHAB O=C(Nc1ccc(N2CCCC2=O)cc1)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 12914912 YMLWNWQEIAZIIF-AWEZNQCLSA-N 431.414 3.824 0 40 IHAB CC(=O)Nc1cccc(NC(=O)CSc2ccccc2C(=O)NCC(=O)C(C)(C)C)c1 12934381 SREAIVMWQIFRKO-UHFFFAOYSA-N 441.553 3.721 0 40 IHAB Cc1ccc(CNC(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)cc1F 12989388 MQDFXJIFSOTDCF-UHFFFAOYSA-N 431.316 3.812 0 40 IHAB CC[C@@H](C(=O)Nc1cc(OC)ccc1OC)N(c1cccc(Cl)c1)S(C)(=O)=O 13712052 XJWYTZQVZAWRHQ-KRWDZBQOSA-N 426.922 3.541 0 40 IHAB CCn1c(CC(=O)Nc2ccccc2C)nnc1SCC(=O)N[C@H](C)c1ccccc1 13955916 LKNYWSANONXUQD-QGZVFWFLSA-N 437.569 3.757 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc3cc(OC)c(OC)cc3s2)cc1 16047687 SIAVLISTVFDHOF-UHFFFAOYSA-N 449.554 3.596 0 40 IHAB Cc1sc(NC(=O)[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)c(C(N)=O)c1-c1ccc(C(C)C)cc1 17136253 UEFMHVVECHMYPR-IDCNUPLLSA-N 442.537 3.763 0 40 IHAB O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2 17178165 ORCMUVVGDLLPGZ-UHFFFAOYSA-N 439.471 3.514 0 40 IHAB COc1ccccc1N1CCN(C(=O)COc2ccccc2C(=O)Nc2ccccc2)CC1 18192254 CEUGXUNWCSVBBB-UHFFFAOYSA-N 445.519 3.675 0 40 IHAB Cc1cccc(-c2cc3ncc4c(n3n2)C[C@@H]2CC[C@H]4N2Cc2cnc(N(C)C)nc2)c1 19235333 IFLBIWAAYJBUQL-SIKLNZKXSA-N 425.540 3.823 0 40 IHAB Cc1nc2c(c(N(Cc3ccccn3)C[C@@H]3CCCO3)n1)CN(Cc1ccccc1)CC2 19286166 ZYTGSWRMWDKUDF-QHCPKHFHSA-N 429.568 3.924 0 40 IHAB C[C@H](CNC(=O)CN1CC2(CCOCC2)Oc2ccc(Cl)cc2C1=O)c1ccccc1 19456455 KGXYHZFQLAUAMS-QGZVFWFLSA-N 442.943 3.644 0 40 IHAB CCN1CCN(C(=O)c2cccc(OC)c2)C[C@H](Cc2cccc(-c3ccncc3)c2)C1=O 19527587 KCUPIXXKKBWXCP-DEOSSOPVSA-N 443.547 3.920 0 40 IHAB CN(C)C(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(C(=O)Cc2cccnc2)C1 19579182 NEMABNXPGKXVFU-MHZLTWQESA-N 442.563 3.626 0 40 IHAB CN(C)c1ncc(-c2cccc(F)c2)c(C2CCN(C(=O)c3n[nH]c4c3CCCC4)CC2)n1 19695134 LJDRZCHJAWOCHL-UHFFFAOYSA-N 448.546 3.970 0 40 IHAB Cc1onc(C(C)C)c1C(=O)N1CCO[C@H](c2cc(C(=O)N(C)C)c3ccccc3n2)C1 19762869 LMWZAOGHGUIUAN-FQEVSTJZSA-N 436.512 3.570 0 40 IHAB C[C@@H]1Cc2cc(C(=O)NCCc3ccccc3)ccc2N1S(=O)(=O)c1ccc(F)cc1 20449386 JGCJQMIHASMSGR-QGZVFWFLSA-N 438.524 3.938 0 40 IHAB CCCn1c(NC(=O)[C@H](CCSC)NC(=O)c2ccccc2OC)nc2ccccc21 21597511 YNYIZKZMSMQDGC-SFHVURJKSA-N 440.569 3.945 0 40 IHAB CN(C)C(=O)[C@H]1CN(C(=O)CCc2ncc(-c3ccccc3Cl)o2)c2ccccc2O1 22281979 VTXDDANZOOAWNB-HXUWFJFHSA-N 439.899 3.810 0 40 IHAB COc1cc(C)c(CN2CCN([C@H](C)C(=O)N[C@@H](C)c3ccc(F)cc3)CC2)cc1OC 22787219 ZMPAQJGCEGGOFL-RBUKOAKNSA-N 443.563 3.535 0 40 IHAB Cc1cc(C)c(NC(=O)CNC(=O)c2occc2CS(=O)(=O)c2ccccc2)c(C)c1 23039848 SDGWAAAXLOXBMK-UHFFFAOYSA-N 440.521 3.547 0 40 IHAB COc1cccc(CN(C)C(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)c1 23238903 SIDNMVUUKDOGEE-UHFFFAOYSA-N 428.485 3.907 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(NC(=O)CC(C)C)cc2)s1 26390778 CBOGXKLPVGKQPU-GOSISDBHSA-N 449.598 3.833 0 40 IHAB Cc1noc(C)c1CSc1ncccc1C(=O)N1CCN(Cc2cccs2)CC1 27999681 CSDKOSSKBMWIHL-UHFFFAOYSA-N 428.583 3.998 0 40 IHAB CCCn1c(CN(C)[C@@H]2CCc3ccccc32)nc2cc(S(=O)(=O)N(C)C)ccc21 29486419 WPCLCLPTRQOBLB-OAQYLSRUSA-N 426.586 3.816 0 40 IHAB O=C(Nc1ccc(-n2cnc3ccccc32)nc1)C1CCN(C(=O)c2cccs2)CC1 32796672 BCFUJGGGRTWKHY-UHFFFAOYSA-N 431.521 3.973 0 40 IHAB Cc1ccc([C@@H](NC(=O)CSc2nc(C)c(CC(N)=O)s2)c2cccs2)cc1 32871364 TVHBHVQGPORAOB-LJQANCHMSA-N 431.608 3.847 0 40 IHAB O=C1COc2ccc(NC(=O)c3cc(Br)c(Br)s3)cc2N1 32988879 NOJSTDGNBAEMLO-UHFFFAOYSA-N 432.093 3.856 0 40 IHAB CN(C)S(=O)(=O)c1ccc(COc2ccc(C(=O)N3CCCc4ccccc43)cc2)o1 36364790 MOYAOUAIXDRDJK-UHFFFAOYSA-N 440.521 3.702 0 40 IHAB O=C(Nc1nnc(SCc2cc(=O)n3ccccc3n2)s1)Nc1ccc(F)cc1F 41086111 FVXWHPDSNVRALI-UHFFFAOYSA-N 446.464 3.761 0 40 IHAB Cc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)N1CCCc2ccccc21 46027436 XCTGKNDYYIAMOA-UHFFFAOYSA-N 449.576 3.776 0 40 IHAB O=S1(=O)CC[C@H](Cc2nnc(SCc3cc(-c4ccc(Cl)cc4)no3)o2)C1 48234994 LECIUHOOIVNQOF-LLVKDONJSA-N 425.919 3.648 0 40 IHAB COC(=O)c1ccc(N2CCCC2)c(NC(=O)N(C)Cc2ccc(OC)cc2OC)c1 48312023 FUYYKWIKQNHDJN-UHFFFAOYSA-N 427.501 3.755 0 40 IHAB O=C(CSc1nnc(CCc2nc3ccccc3s2)o1)Nc1ccc2c(c1)OCO2 49029045 FFUYPSSDDQXHKK-UHFFFAOYSA-N 440.506 3.924 0 40 IHAB COc1c(Cl)cc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CCC3)cc1Cl 57316368 AQJQVDRDYFGHTH-UHFFFAOYSA-N 444.365 3.778 0 40 IHAB O=C(CN1CCN(c2ccccc2O)CC1)N(CCc1ccccc1)Cc1ccccc1 58170303 OQJWPOKCHWKIMF-UHFFFAOYSA-N 429.564 3.786 0 40 IHAB O=C(NCCn1nc(C2CC2)n(-c2ccccc2)c1=O)Nc1cccc(C(F)(F)F)c1 77198031 XPKAFPGCDHGZAA-UHFFFAOYSA-N 431.418 3.752 0 40 IHAB CC[C@H](NC(=O)c1cccc(Cn2nc(C)cc2C)c1)[C@@H]1CN(Cc2ccccc2)CCO1 79108518 BYLONEAUOHPNPD-UIOOFZCWSA-N 446.595 3.958 0 40 IHAB CC[C@@H](C)n1ncc2c(C(=O)Nc3ccc(CN4CCN(C(C)=O)CC4)cc3)cc(C)nc21 97037959 IMFBDUBBDILZSX-GOSISDBHSA-N 448.571 3.627 0 40 IHAB COC(=O)CNC(=O)CC1=C(C)/C(=C\c2ccc([S@](C)=O)cc2)c2ccc(F)cc21 101466752 FAKIKUAUYLHICP-SYXOMWOLSA-N 427.497 3.570 0 40 IHAB O=C1[C@H]2CC=CC[C@@H]2C(=O)N1c1nc2n(n1)[C@@H](c1ccccc1)C[C@@H](c1ccccc1)N2 102767073 LJUIHPXVUYBPKS-XSDIEEQYSA-N 425.492 3.880 0 40 IHAB CC(C)Oc1ccc(CCCNC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1 222587393 HXHAPTNXJYGQOR-UHFFFAOYSA-N 430.570 3.766 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3)cc2)c(OC)c1 224521489 LFAJSMAOGMTGPM-UHFFFAOYSA-N 442.493 3.522 0 40 IHAB O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1CN(C(=O)c1ccccc1)c1ccc(Cl)cc1 250253072 ZFMMPPBIGVCAFH-KNPYFFGGSA-N 432.907 3.997 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)c2cccc(Cl)c2)cc1 250578944 MCOFPGBHRIPQSV-CKJXQJPGSA-N 448.972 3.849 0 40 IHAB O=S(=O)(N[C@@H]1CC[C@H]2OCCO[C@@H]2C1)c1ccc(-c2cccc(C(F)(F)F)c2)cc1 253408262 XJYXYWIIMVMLKR-MISYRCLQSA-N 441.471 3.987 0 40 IHAB CCOc1ccc(N([C@@H](CC)C(=O)N[C@H](C)c2ccccc2OC)S(C)(=O)=O)cc1 260741092 FOTPKVUCNYESQP-UZLBHIALSA-N 434.558 3.516 0 40 IHAB NC(=O)COc1cccc(-c2nc(-c3cccc(NC(=O)c4ccccc4F)c3)no2)c1 546270279 PPFBNSLSITUQAF-UHFFFAOYSA-N 432.411 3.659 0 40 IHAB C[C@@H](C(=O)NCC1(c2ccccn2)CCC1)[C@@H](C)C(=O)NCC1(c2ccccn2)CCC1 557679266 YBUBQBBOMQLZJV-WOJBJXKFSA-N 434.584 3.525 0 40 IHAB O=C(NCC(=O)N1CCC[C@]12CCCN(Cc1cc(F)ccc1F)CC2)c1ccccc1 585100041 CXMCQGWVCYVJCZ-VWLOTQADSA-N 441.522 3.742 0 40 IHAB COC(=O)c1sc(S(=O)(=O)Nc2ccc(C(C)(C)C)cc2)c(C(=O)OC)c1C 603781449 ZAKWKNRWQJGJER-UHFFFAOYSA-N 425.528 3.728 0 40 IHAB Cn1ccc2cc(NC(=O)CN3C(=O)c4ccccc4N4C(=O)c5ccccc5[C@@H]34)ccc21 604419550 BZXKVOMHEICMOA-DEOSSOPVSA-N 436.471 3.932 0 40 IHAB Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)N[C@H]1Cc2ccccc2N(C)C1=O 1538752131 AJEALHYRLPSCPA-INIZCTEOSA-N 429.398 3.986 0 40 IHAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC[C@](O)(COc2ccc(F)cc2)CC1 2037912763 ZINNBLKVGXJKSF-LJQANCHMSA-N 447.450 3.829 0 40 IHAB O=C1[C@@H]2[C@@H](C(=O)N1c1cccc(C(F)(F)F)c1)N1CCCN1[C@H]2c1ccc(Cl)cc1 637844 YOZPXADXKLIWKS-BZSNNMDCSA-N 435.833 3.894 0 40 IHAB CCOc1cc([C@H]2C(C(=O)OC)=C(C)Nc3ncnn32)ccc1OCc1ccccc1F 724947 BWLHGMWRQVRFDU-NRFANRHFSA-N 438.459 3.857 0 40 IHAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)N(CCO)Cc1ccccc1 3215881 PXHWQSSDSYCPCB-UHFFFAOYSA-N 442.512 3.570 0 40 IHAB O=c1[nH]c(CSc2nnc(-c3ccc4c(c3)OCO4)o2)nc2sc3c(c12)CCCC3 3377437 GTPYXKGBQACUAN-UHFFFAOYSA-N 440.506 3.934 0 40 IHAB COc1cccc(/C=C/C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)c1OC 3529981 ZMFMLBAUDOBZMW-VOTSOKGWSA-N 444.793 3.966 0 40 IHAB CCCc1cc(=O)oc2cc(C)cc(O[C@H](C)C(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)c12 4073523 QGXFHCQDCFOODI-MIAKESKMSA-N 427.541 3.975 0 40 IHAB biogenic COc1ccccc1[C@@H]1NC(=S)NC(C)=C1C(=O)Nc1ccc(Br)cc1 8843870 JYAXWYFKXXMDHI-KRWDZBQOSA-N 432.343 3.889 0 40 IHAB O=C(Nc1ccccc1)Nc1nc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cs1 8979890 CLHAGAMDDRGREP-UHFFFAOYSA-N 425.489 3.889 0 40 IHAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 9364039 DTHVIMXNMDXSOB-UHFFFAOYSA-N 438.553 3.882 0 40 IHAB COc1ccc(-c2nnc3ccc(SCC(=O)Nc4ccc(F)cc4)nn23)cc1OC 9415403 HYBWBVGIDUFVHK-UHFFFAOYSA-N 439.472 3.678 0 40 IHAB CC(=O)N(c1ccc(C)c(C)c1)c1nc(CN2C(=O)c3ccccc3S2(=O)=O)cs1 9441961 XJVIHRGTOMPHMF-UHFFFAOYSA-N 441.534 3.789 0 40 IHAB O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)OCc1csc(-c2ccccc2)n1 9506974 SPAYXLDCRMOKQP-UHFFFAOYSA-N 436.942 3.875 0 40 IHAB CCc1nnc(NC(=O)c2ccccc2NC(=O)[C@@H]2CC(=O)N(c3ccccc3C)C2)s1 9698729 HEMJCDLWXRMNAM-OAHLLOKOSA-N 449.536 3.653 0 40 IHAB Cc1cc(-n2ccnc(SCC(=O)NC3CCCCC3)c2=O)ccc1Br 9761419 GDHUMHSJIGAECA-UHFFFAOYSA-N 436.375 3.844 0 40 IHAB O=c1c2ncccc2n(Cc2cccc3ccccc23)c(=O)n1Cc1ccc2c(c1)OCO2 9843445 JJLVFOOYXXWWJF-UHFFFAOYSA-N 437.455 3.537 0 40 IHAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)c2c(C)noc2C)cc1 9982148 ROIDQIMPQVWWRH-OAQYLSRUSA-N 433.464 3.835 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccc(-c3ccc4nnc(-c5ccccn5)n4n3)cc2)cc1 11665573 IAFRHTZZEUQKDI-UHFFFAOYSA-N 442.504 3.963 0 40 IHAB O=C(CN1C(=O)C[C@@H](c2ccccc2)S(=O)(=O)c2ccccc21)Nc1ccc(F)cc1 11758442 QVVGNMQNCAKMPK-NRFANRHFSA-N 438.480 3.716 0 40 IHAB CC(C)Cc1nc(SCc2cccc(C(F)(F)F)c2)c2c(=O)n(C)c(=O)n(C)c2n1 12140392 VDYQLJOCDKDNJS-UHFFFAOYSA-N 438.475 3.537 0 40 IHAB Cc1ccc(Nc2nc(N)nc(CSc3ncnc4c3cnn4-c3ccccc3)n2)cc1 12557887 PQMPPKUXQRNCAI-UHFFFAOYSA-N 441.524 3.927 0 40 IHAB O=C(CCc1nc(-c2ccsc2)no1)Nc1ccccc1I 12752350 KWAWXALTGLRPAS-UHFFFAOYSA-N 425.251 3.974 0 40 IHAB COc1ccc([C@@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 12757831 CIKBHLFFYCMSJQ-QHCPKHFHSA-N 442.581 3.768 0 40 IHAB C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3cc(F)c(F)cc3Cl)cc2)C[C@@H](C)O1 12762964 LKAXRLXMUFQNAO-TXEJJXNPSA-N 444.887 3.668 0 40 IHAB O=C(CCc1nc(-c2ccc(F)cc2)no1)N1CCN(Cc2ccc(Cl)s2)CC1 12852387 LQBGBHSFRJGECU-UHFFFAOYSA-N 434.924 3.868 0 40 IHAB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(CO)c1)c1ccc(F)cc1 12975515 CTDZIAMJWHWXIL-QHCPKHFHSA-N 431.467 3.779 0 40 IHAB O=C([C@@H](Sc1nc2ccccc2c(=O)n1CCCO)c1ccccc1)N1CCCCC1 12980486 ZZEHUZHYVITHKI-NRFANRHFSA-N 437.565 3.625 0 40 IHAB O=S(=O)(Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1)c1ccc(Cl)cc1 13009961 ACSWDJGLLFWOIZ-UHFFFAOYSA-N 426.889 3.860 0 40 IHAB O=C(NCCC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1)c1ccc(Cl)cc1 13121417 NFUWZTWTGNVBNC-UHFFFAOYSA-N 438.330 3.597 0 40 IHAB Cn1cc(-c2cc(C(=O)N3CCC[C@H]([C@H]4CC(=O)c5cc(Cl)ccc5O4)C3)no2)cn1 13265503 GGBHGEWYJBMQQO-RNODOKPDSA-N 440.887 3.615 0 40 IHAB C[C@@H](SC(=S)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)C(=O)Nc1cccc(Cl)c1 13572503 KMMQYOMPVVOGJD-KFWWJZLASA-N 448.013 3.966 0 40 IHAB CC1CCN(CCCNC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)CC1 13675514 RXAZDXHQXNNPOG-DEOSSOPVSA-N 441.597 3.906 0 40 IHAB O=C(N[C@H]1CCSc2ccc(F)cc21)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 14244113 DZRSCUCKNIPLKE-CJNGLKHVSA-N 440.587 3.641 0 40 IHAB COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)Nc1ccccc1C(C)=O 14378755 XQZXHHMEICSMJM-UHFFFAOYSA-N 428.444 3.946 0 40 IHAB COc1ccccc1N1CCN(C(=O)CCC(=O)c2ccc(Br)cc2)CC1 15343730 GUSNSYZUVRORSR-UHFFFAOYSA-N 431.330 3.769 0 40 IHAB CCCc1cc(=O)[nH]c(SCC(=O)Nc2sc3c(c2C(=O)OCC)CC[C@@H](C)C3)n1 15879793 BDKQRBBFNHWTLW-GFCCVEGCSA-N 449.598 3.816 0 40 IHAB COc1ccccc1[C@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCCCC2)c1 15967233 NXMYSNXFWMLVFI-KRWDZBQOSA-N 446.569 3.760 0 40 IHAB COc1ccc(C2=NO[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)c2ccccc2)cc1OC 15971789 OKJZJSRGAFIJLG-SQJMNOBHSA-N 428.444 3.785 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Nc1cccc(C(F)(F)F)c1 16044402 KAXRYRBGNFTPEI-UHFFFAOYSA-N 443.447 3.679 0 40 IHAB CCNS(=O)(=O)c1cc(C(=O)N(Cc2ccccc2)Cc2ccccc2)ccc1OC 16681764 HNOREEPSEHIXES-UHFFFAOYSA-N 438.549 3.836 0 40 IHAB O=C(N[C@H](N1CCN(Cc2ccccc2)CC1)C(Cl)(Cl)Cl)c1cccs1 19370960 QQFGIKCNYYIEHW-QGZVFWFLSA-N 432.804 3.992 0 40 IHAB O=C1NCCN(C(=O)c2ccc3oc(O)nc3c2)C[C@H]1Cc1ccc(-c2ccccc2)cc1 19374194 BKEBMWIIDIUBIW-OAQYLSRUSA-N 441.487 3.631 0 40 IHAB CCn1cc(CC(=O)N[C@@H](Cc2cc(=O)[nH]c(C)n2)c2ccc(F)cc2)c2ccccc21 19524791 RICSMNRIQHIBPS-QFIPXVFZSA-N 432.499 3.835 0 40 IHAB CCN1CCN(C(=O)CCn2cccn2)C[C@@H](Cc2ccc(-c3cccs3)cc2)C1=O 19527416 LNYIZFXXLTXOLL-OAQYLSRUSA-N 436.581 3.551 0 40 IHAB Cc1ccc([C@@H]2CCCN2C(=O)c2ccc(=O)n(CC(=O)NC3CCCCC3)c2)cc1C 19751252 BOOVJLMASJVQBW-QHCPKHFHSA-N 435.568 3.891 0 40 IHAB COc1ccccc1C(=O)N1CCC[C@@H]1c1ncc(C(=O)NCc2ccc(F)cc2)c(C)n1 19755004 JBCRWYWDXLBWPQ-OAQYLSRUSA-N 448.498 3.840 0 40 IHAB CSc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc2)cc1 20019468 BRLVPSMPEZAVLY-MRXNPFEDSA-N 436.599 3.599 0 40 IHAB O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl)Nc1cc(F)ccc1F 20023058 DZPJHPSBDDDMSL-UHFFFAOYSA-N 444.887 3.857 0 40 IHAB O=C(c1ccco1)N1CCN(Cc2cc(=O)c(OCc3c(F)cccc3Cl)co2)CC1 22852859 XZORHPBQURSVHI-UHFFFAOYSA-N 446.862 3.562 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1CN(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C 29190487 YSDNRLQVSWWPFQ-QGZVFWFLSA-N 431.540 3.685 0 40 IHAB O=C(Nc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1)[C@@H]1CCCO1 30531729 IKLROIYOEYCBAP-INIZCTEOSA-N 430.404 3.504 0 40 IHAB O=C(CCCN1C(=O)CNC1=O)Nc1ccc(Oc2ccc(Br)cc2)cc1 32731325 NHMMXLSRGKMBFB-UHFFFAOYSA-N 432.274 3.512 0 40 IHAB CC(C)(CNC(=O)c1ccccc1C(=O)c1ccc(Br)cc1)N1CCOCC1 32905461 IFDNOHPRAZXBFZ-UHFFFAOYSA-N 445.357 3.521 0 40 IHAB CCOc1ccc(NC(=O)c2cc(-c3cccs3)n([C@@H]3CCS(=O)(=O)C3)n2)cc1 33325459 SNTSMQGCBIHEPS-OAHLLOKOSA-N 431.539 3.622 0 40 IHAB Cn1c2ccc(Br)cc2c2nnc(SCC(=O)Nc3cccc(O)c3)nc21 35312674 KKEYFALFDCTTIY-UHFFFAOYSA-N 444.314 3.715 0 40 IHAB NS(=O)(=O)c1ccc(NC(=O)c2cc3occc3n2Cc2ccccc2Cl)cc1 36360812 JBAONRMYTLRSIA-UHFFFAOYSA-N 429.885 3.836 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc(F)cc(Br)c1 40128320 CXYSEKIKDRVZLC-UHFFFAOYSA-N 427.295 3.625 0 40 IHAB C[C@H]1CCCN(c2ccc(-c3noc(CN4CCN(c5ccccc5F)CC4)n3)cn2)C1 49409668 IXKPFUZKNGWIPO-SFHVURJKSA-N 436.535 3.829 0 40 IHAB CS(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc1 58169342 LQYRNWWAZNDHMC-UHFFFAOYSA-N 449.576 3.665 0 40 IHAB C[C@H](Oc1ccc(C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)cn1)c1ccccc1 59402929 UWHBUTFETLWXKI-INIZCTEOSA-N 430.464 3.526 0 40 IHAB O=C(COC(=O)C1(c2ccc3c(c2)OCO3)CCOCC1)c1ccccc1Br 64188593 SJYRFPMKKPVMST-UHFFFAOYSA-N 447.281 3.652 0 40 IHAB CCOc1ccccc1CNC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 65110995 ZVVUBFDJAGAOCY-UHFFFAOYSA-N 428.485 3.955 0 40 IHAB CCc1cccc(C)c1NC(=O)Cn1c(-c2cccc(Cl)c2)nc(C)c(CCO)c1=O 67301652 HLHPEYOWXUPJMV-UHFFFAOYSA-N 439.943 3.916 0 40 IHAB O=C(CCSc1ccccc1)N1CCN(c2ccc(-c3noc(C4CC4)n3)cn2)CC1 90558865 UQOKDZLCKGZADG-UHFFFAOYSA-N 435.553 3.840 0 40 IHAB CCc1nc(-c2ccc(C(=O)NCCCc3nnc(SC)n3C3CCCC3)cc2)n[nH]1 95429428 SJRKGBKVRYHUKJ-UHFFFAOYSA-N 439.589 3.825 0 40 IHAB CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)sc2ccccc21 100821230 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COc1ccc(N([C@@H](C)C(=O)NC(C)(C)Cc2ccccc2)S(C)(=O)=O)cc1Cl 223409026 UVOAUSYBYDIZQM-HNNXBMFYSA-N 438.977 3.641 0 40 IHAB OCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1nc2ccccc2s1 223607583 SDPQRNNRNXWNJN-WOJBJXKFSA-N 435.578 3.837 0 40 IHAB CCCc1ccc(OCCNC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)cc1 223677779 ZSSXNPMIOHTMSP-UHFFFAOYSA-N 438.977 3.562 0 40 IHAB Cc1cc(Cl)ccc1N(CC(=O)NCCOc1ccccc1C(C)C)S(C)(=O)=O 223757820 GTLSWEICNINPDY-UHFFFAOYSA-N 438.977 3.733 0 40 IHAB COc1ccc(S(=O)(=O)N(C)c2cc(C(=O)NCCc3ccccc3)ccc2C)cc1 224321812 XMFCLQWCWJTCOG-UHFFFAOYSA-N 438.549 3.801 0 40 IHAB CCOc1ccc([C@H](C)NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc1OCC 224393526 WETVWZKTSZORQJ-KRWDZBQOSA-N 446.569 3.905 0 40 IHAB CCn1c(=O)sc2cc(NC(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)ccc21 225114041 QTIVHMLEQMYBPC-UHFFFAOYSA-N 445.566 3.510 0 40 IHAB CCc1ccc(CC)c(CNS(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)c1 225783367 SUTAMLJVDVHIGN-UHFFFAOYSA-N 444.582 3.702 0 40 IHAB C[C@@H](NC(=S)Nc1nc(N2CCCCCC2)cc(N2CCOCC2)n1)c1ccccc1 225959997 JZWPBBHWFOSTDF-GOSISDBHSA-N 440.617 3.741 0 40 IHAB C[C@H](OC(=O)CNC(=O)c1sc2ccccc2c1Cl)C(=O)N[C@@H]1CCCC[C@H]1C 245228423 XDIKRBALKWNFBN-VNHYZAJKSA-N 436.961 3.911 0 40 IHAB C[C@H](C(=O)c1ccc(F)cc1)N1CCC(O)(CN2CCCC[C@H]2c2cccnc2)CC1 253371731 CDHKEHPWTKXFLB-XXBNENTESA-N 425.548 3.846 0 40 IHAB COc1ccc(CCNC(=O)[C@H]2CN(C)C[C@H]2c2cccc(CN3CCCCC3)c2)cc1 257272555 NCVVLVPLSQZEEH-UIOOFZCWSA-N 435.612 3.685 0 40 IHAB COCCc1ncc(CN2CCO[C@@H](c3cc(Cc4ccc(F)cc4)cc(C)n3)C2)cn1 257304297 SKYIHFZDCIBSIN-XMMPIXPASA-N 436.531 3.672 0 40 IHAB COc1cccc(Nc2cc(C)nc([C@@H]3CCN(C(=O)CCn4ccccc4=O)C3)c2)c1 257320956 VZMBRRNXRPHQSV-LJQANCHMSA-N 432.524 3.710 0 40 IHAB COc1ccc(N([C@H](C)C(=O)N[C@H](C)c2ccc(C)c(C)c2)S(C)(=O)=O)cc1Cl 260455496 XXSMFKDZORIEJY-HZPDHXFCSA-N 438.977 3.997 0 40 IHAB O=C(c1ccc(NS(=O)(=O)c2ccccc2)cc1)N1CCN(c2ccc(F)cc2)CC1 301325724 XJLBROYTBUDCIC-UHFFFAOYSA-N 439.512 3.589 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCc1ccccc1)C1CCCCC1 408624413 UIVWLGNQIKWEFD-UHFFFAOYSA-N 430.570 3.643 0 40 IHAB CCN1C(=O)/C(=C\c2cc(OC)c(OCC(=O)OC)cc2Br)c2ccccc21 409121018 VFPOKNKYQSYLQT-DHDCSXOGSA-N 446.297 3.917 0 40 IHAB COc1ccc(CNC(=O)CN2C(=O)S/C(=C\c3ccc(SC)cc3)C2=O)cc1 409212341 PBFVBFFCZXGYFO-WQRHYEAKSA-N 428.535 3.770 0 40 IHAB CC(=O)N1CCc2ccc(S(=O)(=O)N3C[C@@H](C(C)(C)C)c4ccccc43)cc2CC1 556350007 RHTBLEYUQLXQGY-JOCHJYFZSA-N 426.582 3.972 0 40 IHAB O=C1CN(Cc2cccc(F)c2F)Cc2cc(CCCO)ccc2OCCCCCN1 643579468 AKHHSWFWYWLVFD-UHFFFAOYSA-N 432.511 3.571 0 40 IHAB O=C(O)CNC(=O)c1ccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1 685944972 LQXWXRBTBZZTCA-UHFFFAOYSA-N 430.460 3.540 0 40 IHAB CCc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)c3ccccc3)n2)cc1 797070 YAFQXVAMTQVAHP-UHFFFAOYSA-N 426.480 3.794 0 40 IHAB CCN(C(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1)c1ccccc1 869193 VCPQMPPAUXYLOS-HSZRJFAPSA-N 438.524 3.994 0 40 IHAB CCc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)C(C)C)CC3)cc2)cc1 1266759 AHIBCVYSKPKGJG-UHFFFAOYSA-N 438.597 3.680 0 40 IHAB O=S(=O)(NC1CCCCC1)c1ccc(S(=O)(=O)N[C@H]2CCCc3ccccc32)cc1 1325616 YDHXYOPXQCNODE-QFIPXVFZSA-N 448.610 3.654 0 40 IHAB O=C(c1ccccc1F)N1CCN(c2ncnc3c(-c4ccc(F)cc4)nsc23)CC1 1379889 SMYCFSYBJVPTSG-UHFFFAOYSA-N 437.475 3.994 0 40 IHAB COc1cccc(OC)c1C(=O)Nc1cccc(NC(=O)c2c(OC)cccc2OC)n1 1579509 NMDIRUMSACNNCZ-UHFFFAOYSA-N 437.452 3.621 0 40 IHAB CCS(=O)(=O)c1ccc2oc(SCC(=O)N[C@@H](C)CCc3ccccc3)nc2c1 3332962 XRNJIHBLJNFBTJ-HNNXBMFYSA-N 432.567 3.851 0 40 IHAB COc1ccc([C@H]2[C@@H](C(=O)OCC(C)=O)CCC(=O)N2c2ccc(C)cc2)cc1OC 3368200 WUUMIRJQUIKVGI-CVDCTZTESA-N 425.481 3.629 0 40 IHAB Cc1cc(C)c2cc(CN(Cc3ccccc3)C(=S)NCCCN(C)C)c(=O)[nH]c2c1 6301475 FANSJXVCNRJQCD-UHFFFAOYSA-N 436.625 3.973 0 40 IHAB CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(NCc2ccco2)s1 8684494 YUPUZEBEHVVDHM-UHFFFAOYSA-N 446.959 3.628 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1F)c1ccc(F)cc1 8810869 FPFRLBNXWVPZQN-UHFFFAOYSA-N 446.431 3.789 0 40 IHAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)N[C@@H](CCSC)C(=O)O)CC2 8878351 YNXOANUOEUPDPD-GHTZIAJQSA-N 444.553 3.567 0 40 IHAB biogenic Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(Cc4ccccn4)cc3)c(Cl)cc21 8973624 ZAMDUKFLCHCQDM-UHFFFAOYSA-N 429.885 3.572 0 40 IHAB CCn1c(SCC(=O)Nc2ccc(C(=O)O)cc2)nnc1[C@@H](C)Oc1ccccc1 9306042 ZQPZNOVEYWVXMU-CQSZACIVSA-N 426.498 3.867 0 40 IHAB COc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2cccnc2)N2NC=NC2=N3)cc1OC 9309769 CIKPGHUYVVGOQZ-RPWUZVMVSA-N 439.475 3.903 0 40 IHAB CCOc1cc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2C[C@@H]2CCCO2)ccc1O 9408917 ZIMZOJXVKKUDFO-NPMXOYFQSA-N 435.480 3.611 0 40 IHAB O=S(=O)(c1ccc(SCc2csc(-c3ccccc3)n2)nc1)N1CCOCC1 9469033 UZALGJSOSJWTOY-UHFFFAOYSA-N 433.580 3.518 0 40 IHAB COc1ccc2[nH]cc(CCN[C@H]3CC(=O)N(c4cccc(Cl)c4Cl)C3=O)c2c1 9482576 JHRMTWKOXWFCNZ-KRWDZBQOSA-N 432.307 3.948 0 40 IHAB Cc1cc(NC(=O)Cn2cc(S(=O)(=O)Cc3ccccc3F)c3ccccc32)no1 9568865 YBZNNVVIJIEAJU-UHFFFAOYSA-N 427.457 3.689 0 40 IHAB COc1ccc(CC(=O)N[C@@H](C)c2nnc(SCC(=O)c3ccc(C)cc3)n2C)cc1 9582740 OAIKHDLHTAUPGH-INIZCTEOSA-N 438.553 3.527 0 40 IHAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)C1CCN(S(=O)(=O)c2cccs2)CC1 9666744 FUFYVGBEMILVQF-UHFFFAOYSA-N 448.566 3.829 0 40 IHAB COc1ccc(-c2csc(NC(=O)CCN3C(=O)NC(C)(C)C3=O)n2)c2ccccc12 9671525 BJWNZMYDOJVJOB-UHFFFAOYSA-N 438.509 3.631 0 40 IHAB O=C(c1ccc(Cl)cc1)N1CCCC[C@H](Sc2nnnn2-c2cccc(F)c2)C1=O 9867509 XCZKYUVXVYYNAB-KRWDZBQOSA-N 445.907 3.768 0 40 IHAB Cc1ccc(CN(CCc2ccccc2)C(=O)CN2C(=O)NC3(CCCCC3)C2=O)s1 9885025 KGMFSAOIUZCTER-UHFFFAOYSA-N 439.581 3.883 0 40 IHAB CCN1CCN(c2ccc(NC(=O)Cn3c(-c4cscn4)nc4ccccc43)cc2)CC1 9909356 QDVOHALKUILUTC-UHFFFAOYSA-N 446.580 3.940 0 40 IHAB CC(C)n1ncc2cc(NC(=O)c3ccc(NC(=O)CSc4nccn4C)cc3)cnc21 9909359 VAZICAMUCBORCG-UHFFFAOYSA-N 449.540 3.729 0 40 IHAB COC(=O)[C@@H](CC(C)C)NC(=O)CCC(=O)Nc1ccc(OCCc2ccccc2)cc1 9969965 QIVVNSKGGLGLJO-JOCHJYFZSA-N 440.540 3.731 0 40 IHAB C[C@@H](OC(=O)CNC(=O)c1sc2ccccc2c1Cl)C(=O)N[C@H]1CCCC[C@H]1C 11498258 XDIKRBALKWNFBN-NFAWXSAZSA-N 436.961 3.911 0 40 IHAB COc1cc(NC(=O)c2cc(=O)c(OCc3ccc(F)cc3)co2)cc(OC)c1OC 11856896 RKHJUHCDLUZNOO-UHFFFAOYSA-N 429.400 3.636 0 40 IHAB O=C(NCCc1c[nH]c2ccccc12)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 12194954 PNPORJRYTAHIER-UHFFFAOYSA-N 431.945 3.724 0 40 IHAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)cc1Br 12550074 FTRHYCDQBWRDED-ZDUSSCGKSA-N 436.331 3.683 0 40 IHAB C[C@@H](c1ccccc1)N(C)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12552934 RLHRNSAZOSKHDT-SFHVURJKSA-N 426.582 3.796 0 40 IHAB O=C(NCC[C@H]1CCCO1)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 12605183 CTMZSZKJQSLXLL-QGZVFWFLSA-N 442.459 3.805 0 40 IHAB O=C([C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CC=C(c2ccccc2)CC1 12844546 NNOMEIDANBWEPA-FQEVSTJZSA-N 428.529 3.542 0 40 IHAB O=C(NCCc1ccccc1)[C@H](c1ccc(Cl)cc1)N(C(=O)c1csnn1)C1CC1 12873048 UJIUPICWARMATB-FQEVSTJZSA-N 440.956 3.896 0 40 IHAB COc1cc2c(cc1OC)CN(C(=O)Cc1c(C)c3ccc(OC)c(C)c3oc1=O)CC2 12902230 KDONVTARWZDYCB-UHFFFAOYSA-N 437.492 3.563 0 40 IHAB biogenic Cc1ccc(S(=O)(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)c(Cl)c1 13000267 BDERBTBPUJVGGW-UHFFFAOYSA-N 435.929 3.703 0 40 IHAB CCCCn1c(N)c(N(CCC)C(=O)c2cccc(Oc3ccccc3)c2)c(=O)[nH]c1=O 13027542 HNBSUMPOSKNYID-UHFFFAOYSA-N 436.512 3.768 0 40 IHAB CCc1cc2oc(=O)cc(COC(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)c2cc1Cl 13038076 AHERWJVNOWWADU-CQSZACIVSA-N 429.856 3.694 0 40 IHAB C[C@H]1CCc2c(sc3nc([C@@H](C)Sc4nnc(-c5cccs5)n4N)[nH]c(=O)c23)C1 13101243 LRLQYAFLSVFQIY-VHSXEESVSA-N 444.611 3.997 0 40 IHAB C[C@@H](c1nnnn1CCc1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 13565076 PCYHFXJOLLQZEC-KRWDZBQOSA-N 430.478 3.818 0 40 IHAB COc1ccc(OC)c([C@@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccccc2)n3C)c1 13567465 YNGNSNZXENINTD-KRWDZBQOSA-N 437.521 3.564 0 40 IHAB COCCN1C(=O)C[C@@H](C(=O)O)[C@H]1c1ccc(OCc2cccc(Cl)c2)c(OC)c1 13721509 INVDLUJUAWTDPB-DYESRHJHSA-N 433.888 3.548 0 40 IHAB COc1ccccc1-n1nnnc1S[C@H](C)C(=O)Nc1ccc(Br)cc1 14069521 QHANBAWPQRDMEJ-LLVKDONJSA-N 434.319 3.553 0 40 IHAB COc1ccc(C(=O)NC[C@@H](c2cccs2)S(=O)(=O)c2ccc(OC)cc2)cc1 15780729 XMVIWFFABZTNDE-FQEVSTJZSA-N 431.535 3.710 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)c2nc(S(=O)(=O)CCC)ncc2Cl)cc1 16753842 CMPJYACKLAXOOP-UHFFFAOYSA-N 439.921 3.523 0 40 IHAB COc1cccc(C(=O)NC(=S)Nc2cccc(-c3nn4c(C)nnc4s3)c2C)c1 17102339 QZZFLNMEXKLWCK-UHFFFAOYSA-N 438.538 3.605 0 40 IHAB CCN1CCN(c2ccc(NC(=O)c3ccccc3I)cc2)CC1 18892189 GPXHBWGVNGVBME-UHFFFAOYSA-N 435.309 3.685 0 40 IHAB Cc1ccc2[nH]cc(CCNC(=O)c3cc([C@@H]4CCCN(C(=O)C5CCC5)C4)no3)c2c1 19220585 JDHONXBFOJVVGX-LJQANCHMSA-N 434.540 3.943 0 40 IHAB COc1ccc(C(=O)NC2CCN(Cc3cc(-c4ccc(F)cc4)nn3C)CC2)s1 19288915 PLXRAYYGNPZMDI-UHFFFAOYSA-N 428.533 3.691 0 40 IHAB CC[C@@H](Oc1ccccc1OC)C(=O)N1CCC[C@H](c2nc3ccccc3cc2C(N)=O)C1 19499380 JEWYTUJECMWKSR-GHTZIAJQSA-N 447.535 3.906 0 40 IHAB CCCc1ncc(CN2CCC([C@H]3C[C@@H](C(=O)Nc4ccc(F)cc4)CN3C)CC2)cn1 19525735 HNRAOESWOAWKRT-NFBKMPQASA-N 439.579 3.739 0 40 IHAB O=C(CN1CCOCC1)N1CCC[C@@H](c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)C1 19688337 APTXROMUTLEKBV-HXUWFJFHSA-N 447.501 3.729 0 40 IHAB COc1ccc(CN2CCCC[C@@H]2c2ncc(C(N)=O)c(C)n2)cc1Cc1c(C)noc1C 19764658 MYMPRJPCZYMUAT-JOCHJYFZSA-N 449.555 3.815 0 40 IHAB Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(F)c(F)c2)cc1 19930909 YWMOFHOFZMOJFI-OAQYLSRUSA-N 430.476 3.802 0 40 IHAB COc1ccc([C@H](c2nnnn2C2CCCC2)N2CCN(c3ccc(F)cc3)CC2)cc1 20121811 DYHLKKSVQKIBJJ-HSZRJFAPSA-N 436.535 3.848 0 40 IHAB C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N1CCN(c2cccc(Cl)c2)CC1 20681204 IHZRBFTZQRNCKQ-NXTQRVMMSA-N 445.007 3.645 0 40 IHAB Cc1ncc(CO)c2cc(C(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)c(=N)oc12 20849220 SCBJCPLIDYGMLR-UHFFFAOYSA-N 425.448 3.904 0 40 IHAB CC[C@@H](C)NC(=O)Cn1cc(-c2nc(-c3ccc(C)cc3)no2)c(=O)c2ccc(C)nc21 21655351 VXDYZQGNLLREQJ-OAHLLOKOSA-N 431.496 3.645 0 40 IHAB CC1CCN(c2nnc(SCC(=O)N[C@@H]3CCOc4ccccc43)n2C2CC2)CC1 21700939 YMAAADKGXXJMKG-GOSISDBHSA-N 427.574 3.581 0 40 IHAB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)cc1Cl 22269292 WBVNQXFYCATIST-SFHVURJKSA-N 438.977 3.543 0 40 IHAB CC[C@H](NC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O)c1ccc(OC)cc1 22340291 IRSRSQODBCWIBZ-NRFANRHFSA-N 426.538 3.882 0 40 IHAB CCn1c(SCC(=O)Nc2ccc(OC)cc2OC)nc2c([nH]c3ccccc32)c1=O 22627927 LSWFLGPSCYNXMZ-UHFFFAOYSA-N 438.509 3.646 0 40 IHAB O=c1[nH]c(CN[C@@H](CN2CCOCC2)c2ccccc2)nc2sc(-c3ccccc3)cc12 22930147 JJAZLVYDYNCLRY-NRFANRHFSA-N 446.576 3.815 0 40 IHAB Cc1noc(C)c1COc1ccccc1C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 23076229 HNGFAOVWHXBEEO-CQSZACIVSA-N 428.510 3.765 0 40 IHAB O=C(NCC1CCN(Cc2cccs2)CC1)C(=O)Nc1ccc(OC(F)(F)F)cc1 23127532 OWVPAZCODCRQHP-UHFFFAOYSA-N 441.475 3.614 0 40 IHAB CCS(=O)(=O)c1ccc(C(=O)N(CCn2cccn2)c2nc3ccccc3s2)cc1 23144733 QJRMJVSVWRXJTE-UHFFFAOYSA-N 440.550 3.633 0 40 IHAB O=C(c1ccc(-n2cccn2)cc1)N1CCN(Cc2ccc(Br)s2)CC1 23873137 OQDNPYCBMZFOSA-UHFFFAOYSA-N 431.359 3.654 0 40 IHAB COCCCn1c(SCCn2c(=O)oc3ccccc32)nc2cc(Cl)ccc2c1=O 26013583 YWKCPPNWILRKOQ-UHFFFAOYSA-N 445.928 3.787 0 40 IHAB C[C@@H](C(=O)Nc1ccc(F)cc1F)N(C)Cc1ccc(C(=O)NCC(F)(F)F)cc1 27303245 PHUUXOIGXQDDLY-LBPRGKRZSA-N 429.389 3.716 0 40 IHAB C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 27975482 OUIQHOGLKAIIED-CQSZACIVSA-N 443.550 3.839 0 40 IHAB C[C@@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1)c1ccc(C(F)(F)F)cc1 30477865 PRJUWNUTECUHJX-CYBMUJFWSA-N 446.516 3.971 0 40 IHAB COc1ccc(OC(=O)c2nc(S(=O)(=O)Cc3cccc(C)c3)ncc2Cl)cc1 32623786 UGHMMPKXPVULOB-UHFFFAOYSA-N 432.885 3.640 0 40 IHAB CS(=O)(=O)N1CCC(NC(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)CC1 32771055 ODDIAUJZOZKXEP-UHFFFAOYSA-N 442.459 3.652 0 40 IHAB CCN(Cc1ccc2c(c1)OCO2)C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 32932575 UEAXYWORWCSDIQ-QGZVFWFLSA-N 427.476 3.847 0 40 IHAB Cc1ccc(Cl)cc1-n1ncc2c(=O)n(Cc3nc(-c4cccc(F)c4)no3)cnc21 33293093 MQVCLGVSNLEAPD-UHFFFAOYSA-N 436.834 3.781 0 40 IHAB CCOc1ccc(NC(=O)/C=C/c2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)cc1 33655638 ZWSIPGSLOZYICS-RIYZIHGNSA-N 444.553 3.920 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)cc2)c2ccc(F)cc2)cc1 35402430 KQKOCSQJIOEYHO-UHFFFAOYSA-N 428.485 3.977 0 40 IHAB O=C(c1ccccc1)[C@@H]1[C@H]2C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]2[C@H]2CCCN12 35895277 CZLNOORALBDGNW-NWGLXNPWSA-N 429.303 3.829 0 40 IHAB C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCCC(=O)Nc1cccc2ncccc12 40073590 UKNABZCPZKTMNK-RUZDIDTESA-N 428.492 3.953 0 40 IHAB CCOc1cc(CNC(=O)CCn2nc(-c3ccc(CC)cc3)ccc2=O)ccc1OC 41254054 OCBMYJUMOPNXJC-UHFFFAOYSA-N 435.524 3.587 0 40 IHAB COc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2ccc(OC)c(OC)c2)cn1 44892044 DFVZGFCPKJYCKX-DHIUTWEWSA-N 447.491 3.657 0 40 IHAB COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c1 44901364 SEDJZHPCEVAEKT-UHFFFAOYSA-N 441.461 3.853 0 40 IHAB Cc1oc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1S(=O)(=O)N1CCCC1 48288409 UBQKVOOYKMSKJU-UHFFFAOYSA-N 425.510 3.611 0 40 IHAB CN(C(=O)Cn1c(=O)n(Cc2cccc(Cl)c2)c(=O)c2ccccc21)c1ccccc1 57472920 IMBYSTRRFNUREF-UHFFFAOYSA-N 433.895 3.528 0 40 IHAB O=C(Cn1cccc1-c1nc(-c2ccc3c(c2)OCO3)no1)NCc1ccc(Cl)cc1 57487112 YUHQSAGORNBXBG-UHFFFAOYSA-N 436.855 3.904 0 40 IHAB O=S(=O)(c1ccc(F)cc1)N1CCC2(CC1)C[C@H]2c1nnc(-c2cccc(F)c2)o1 71890426 CWLLCHXZIXGIGR-SFHVURJKSA-N 431.464 3.973 0 40 IHAB C[C@@H](Cn1cc(Cl)cn1)C(=O)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1 72391478 PPZGMIGGYSUNMK-AWEZNQCLSA-N 431.949 3.771 0 40 IHAB COC(=O)c1nc(NC(=O)C[C@@H]2NC(=O)c3ccccc32)sc1CCc1ccccc1 72403872 OTPDCZCMNAWRLB-KRWDZBQOSA-N 435.505 3.528 0 40 IHAB CCOC(=O)c1cccc(NC(=O)c2nnn(-c3ccccc3F)c2-c2ccccn2)c1 77199881 UYFNNIMXUQNXOY-UHFFFAOYSA-N 431.427 3.897 0 40 IHAB CC(=O)c1ccccc1NC(=O)CCCN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 89368475 SPQAORFYGWLGIL-UHFFFAOYSA-N 432.524 3.547 0 40 IHAB CNS(=O)(=O)Cc1cccc(CNC(=O)N2Cc3ccccc3-c3ccccc3C2)c1 89392301 BPFJWBFFFFMSPJ-UHFFFAOYSA-N 435.549 3.628 0 40 IHAB COc1ccc(OC[C@H](O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 95117155 KTCIZGXJJIXYON-HXUWFJFHSA-N 445.512 3.778 0 40 IHAB CCOC(=O)Nc1ccc2c(COC(=O)[C@](C)(O)[C@H](C)c3ccccc3)cc(=O)oc2c1 95407055 PXYJHCBYBUCPGB-OYLFLEFRSA-N 439.464 3.959 0 40 IHAB C[C@]1(COC(=O)C2CCN(C(=O)N3CCCC3)CC2)CCCCN1Cc1ccccc1 95469302 BEGDECRVIJSMPU-RUZDIDTESA-N 427.589 3.902 0 40 IHAB CCS(=O)(=O)[C@@](Cl)(I)C(=O)c1ccc(Cl)cc1Cl 96518289 AAAQFFMVYHNZIO-JTQLQIEISA-N 441.501 3.938 0 40 IHAB CCOc1cc(/C=C2/N=C(c3ccc(C)c(C)c3)OC2=O)ccc1O[C@@H](C)C(=O)N(C)C 96635116 VCCJJURPYMVXQB-NNIWKIFQSA-N 436.508 3.902 0 40 IHAB O=C(OCCN1C(=O)COc2ccc(Br)cc21)[C@@H]1SCCc2ccccc21 97233631 KZJVXYKOOJVDKL-LJQANCHMSA-N 448.338 3.748 0 40 IHAB Cc1nn(-c2nc3ccccc3[nH]2)c(O)c1[C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1=O 100069134 ILMIMALCGIFKLB-LBPRGKRZSA-N 439.834 3.602 0 40 IHAB CC(C)(C)c1cc2nccc([C@H]3CC[C@H](CNC(=O)c4cc5c([nH]c4=O)CCC5)CC3)n2n1 100159435 NSYZXZYXPUSYRS-CALCHBBNSA-N 447.583 3.908 0 40 IHAB O=S(=O)(c1ccc(Cl)cc1)N1[C@H]2CC[C@H]1CC(O)(Cc1ccc(F)cc1F)C2 101907432 UASQFUYSKVSOHS-IRXDYDNUSA-N 427.900 3.908 0 40 IHAB O=C1[C@H]2CC=CC[C@@H]2C(=O)N1c1nc2n(n1)[C@H](c1ccccc1)C[C@@H](c1ccccc1)N2 102767084 LJUIHPXVUYBPKS-TUFLPTIASA-N 425.492 3.880 0 40 IHAB COc1cc(NC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)c(OC)cc1Cl 222498642 DITKCCBYZBKINW-UHFFFAOYSA-N 433.313 3.659 0 40 IHAB CN(Cc1ccccc1F)C(=O)CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1 222863765 VSWCGLANLNGIEM-UHFFFAOYSA-N 440.540 3.895 0 40 IHAB O=C(Nc1nnc(S(=O)(=O)Nc2ccc(F)c(F)c2)s1)c1ccccc1Cl 223004053 XIHQGBBJTGPZJM-UHFFFAOYSA-N 430.845 3.523 0 40 IHAB CC[C@@H](NC(=O)c1ccc(Cn2nc(C)cc2C)cc1)c1ccc(S(C)(=O)=O)cc1 225293380 ZSTPRDGYAPLOLA-JOCHJYFZSA-N 425.554 3.833 0 40 IHAB CCCCOC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3CC)cc1 225695003 UVUUWVBGNFOCQR-UHFFFAOYSA-N 434.539 3.841 0 40 IHAB COc1ccc([C@H](CC(C)C)NC(=O)CN(Cc2ccc(C)cc2)S(C)(=O)=O)cc1 225804408 SPFAUFLKJTWSQE-QFIPXVFZSA-N 432.586 3.669 0 40 IHAB O=C1N[C@@]2(C[C@H]3CC[C@H]2C[C@H]3C(=O)N2CCC(c3ccncc3)CC2)Nc2ccccc21 257287315 PPKIIDSMOHUKKU-RVNGOIKDSA-N 430.552 3.776 0 40 IHAB CC(C)n1cnc([C@H]2CN(C(=O)c3cccs3)C[C@@]23CCN(Cc2cccnc2)C3=O)c1 306127644 GEASPEKFKMEITK-DVECYGJZSA-N 449.580 3.579 0 40 IHAB O=C1N(Cc2ccccc2)CCO[C@@]12CN(Cc1ccccc1F)C[C@@H]2c1cccnc1 306144499 ZGQGJEDOAQAVAC-ZEQKJWHPSA-N 431.511 3.618 0 40 IHAB O=C(O)CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)C1=O 408592630 NARRFWUXEIIOSE-VIZOYTHASA-N 439.226 3.689 0 40 IHAB 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C[C@H](Sc1nnc(N2CCOCC2)n1-c1ccccc1)C(=O)c1c[nH]c2ccccc12 8707857 VVSADXRFQNKVHE-INIZCTEOSA-N 433.537 3.949 0 40 IHAB CCCC(=O)N1CCN(c2ccc(NC(=O)COc3ccc(OC)cc3)cc2Cl)CC1 8832526 JRCAYSWXHNAPGN-UHFFFAOYSA-N 445.947 3.815 0 40 IHAB CCN1CCc2c([nH]c3ccccc23)[C@H]1c1c(O)nc(O)n(-c2cccc(Cl)c2)c1=O 8994708 DXMNQVGVGLLPHX-HXUWFJFHSA-N 436.899 3.746 0 40 IHAB CN1CCN(c2ccccc2NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)CC1 9223969 SFDIDWHMZOOYRP-LJQANCHMSA-N 440.975 3.583 0 40 IHAB CCOc1ccc(-c2nc(COC(=O)c3cccc(NS(C)(=O)=O)c3)cs2)cc1 9442767 JHFHMAGAUGAFIU-UHFFFAOYSA-N 432.523 3.937 0 40 IHAB COc1ccc(NC(=O)c2ccc(NC(=O)CN3C(=O)CCOc4ccccc43)cc2)cc1 9465311 MDFLZBDCMOIBOK-UHFFFAOYSA-N 445.475 3.702 0 40 IHAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2cc(-c3ccccc3)n[nH]2)n1N 9541291 WMLGIVPAZBJYJU-UHFFFAOYSA-N 439.932 3.742 0 40 IHAB C[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1ccc(F)c(Cl)c1 9667865 RLHHNDTXLKCIRZ-VIFPVBQESA-N 435.702 3.547 0 40 IHAB O=C(/C(=C/c1cc(Cl)c2c(c1)OCCCO2)c1nc2ccccc2[nH]1)N1CCOCC1 9731525 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O=S(=O)(c1ccccc1)N1CCO[C@@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 19373678 GPHZIDGXOJVBSJ-MRXNPFEDSA-N 439.415 3.518 0 40 IHAB CC1CCC(N2CCc3nc([C@H]4CCCN(C(=O)c5ccncc5)C4)nc(O)c3C2)CC1 19495968 KOKZUSBRQHRGKO-SYYJFZTOSA-N 435.572 3.534 0 40 IHAB CCOC(=O)[C@]1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCCN(C(=O)c2cscn2)C1 19529959 DGGBETGGKZEXII-VGSWGCGISA-N 445.516 3.651 0 40 IHAB Cc1cnn(CCC(=O)N2CCC(c3cc4nc(C)cc(C(F)(F)F)c4c(=O)[nH]3)CC2)c1 19568549 SDTMQFBSPWLSOO-UHFFFAOYSA-N 447.461 3.552 0 40 IHAB CNC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2ccc(OC)cc2OC)C1 19591703 OIERQIXTQGYUDL-MHZLTWQESA-N 445.563 3.947 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-c4ccccc4F)o3)CC2)c(C)c1 19597786 HUCCPZNELNCFLT-UHFFFAOYSA-N 442.512 3.849 0 40 IHAB Cc1oc2c(c1C(=O)N1CC[C@@H](c3ccc4c(NC5CCOCC5)n[nH]c4n3)C1)CCCC2 19705148 ARDQTWFQEMZOCN-MRXNPFEDSA-N 449.555 3.959 0 40 IHAB CC(=O)N[C@@H]1CCO[C@H](c2ccccc2NC(=O)CCc2c(C)nc3cc(C)nn3c2C)C1 19712303 CUXJATMISLQRJZ-XXBNENTESA-N 449.555 3.582 0 40 IHAB Cc1cc(C)nc(N2CC[C@H](c3nc(C)c4c(n3)N(Cc3cccc(F)c3)C(=O)CC4)C2)n1 19738842 PWDPCJYCEWGINM-IBGZPJMESA-N 446.530 3.804 0 40 IHAB CCOC(=O)[C@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@@H]1c1ccccn1 19820801 NNWYFHBVERQCRH-DHIUTWEWSA-N 440.503 3.789 0 40 IHAB O=C(N/C(=C\c1ccccc1)C(=O)N1CCN(Cc2ccccc2)CC1)c1ccccc1 19889981 MVGDVOCCVZOLOI-QQTULTPQSA-N 425.532 3.802 0 40 IHAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc(SC)cc2)cc1C 20015168 DDZJEHROBPIIKB-MRXNPFEDSA-N 436.599 3.614 0 40 IHAB COc1ccc(S(=O)(=O)N[C@H]2CCCc3ccccc32)cc1I 20489457 MHBMMBDYMGTMEP-INIZCTEOSA-N 443.306 3.656 0 40 IHAB O=C(NCCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc(C(F)(F)F)c1 22227282 RSIQEDBHNLYSHG-UHFFFAOYSA-N 440.487 3.853 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](C)c3cc(C)c(C)cc3C)C2)cc1 22539943 JEIXBKDWNWIUEG-VQTJNVASSA-N 444.597 3.899 0 40 IHAB CCOC(=O)[C@H]1CCCN([C@@H](c2ccc(C)cc2)c2sc3nc(CC)nn3c2O)C1 22853409 BSKKTIHAIIMXPA-WMZOPIPTSA-N 428.558 3.732 0 40 IHAB O=C(CN1CCN(Cc2nc(-c3ccccc3)no2)CC1)Nc1ccccc1C(F)(F)F 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COC(=O)c1cccc(NC(=O)c2cc(C)c3c(c2)-c2ccccc2S(=O)(=O)N3C)c1 33272060 XZLZEJGFRNWKLU-UHFFFAOYSA-N 436.489 3.839 0 40 IHAB Cc1cccc(-c2nc(Cn3nnc(C(=O)NCc4ccc(Cl)cc4)c3N)c(C)o2)c1 33291623 BZURGRJRXYMMMR-UHFFFAOYSA-N 436.903 3.764 0 40 IHAB Cc1[nH]c2ccc(C(=O)N3CCN(C(=O)c4ccccc4OC(F)F)CC3)cc2c1C 40051529 KCTLJYQZACASID-UHFFFAOYSA-N 427.451 3.984 0 40 IHAB CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2ccc(Br)cc2)c1=O 44840248 QQXHUUYKCXCRLL-CYBMUJFWSA-N 430.302 3.535 0 40 IHAB CC[C@H](C(=O)NCc1ccc(CN2CCCCC2)cc1)N(c1ccccc1)S(C)(=O)=O 44875061 DCSIDPOHFWKHBW-HSZRJFAPSA-N 443.613 3.534 0 40 IHAB O=C(NCc1cccnc1N1CCOCC1)Nc1cccc(NC(=O)c2cccs2)c1 48300318 UYBKCSJXMQZXGZ-UHFFFAOYSA-N 437.525 3.554 0 40 IHAB Cc1nc(-c2ccccc2)cc2nn(CC(=O)Nc3ccc(C(F)(F)F)cc3)c(=O)n12 49407153 QNIVTMHCCGCLHV-UHFFFAOYSA-N 427.386 3.524 0 40 IHAB CN(CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1)c1ccc(S(C)(=O)=O)cc1 58010499 RJBOASUZXNTETA-SFHVURJKSA-N 443.550 3.559 0 40 IHAB O=C(NCc1cccc(COCc2ccco2)c1)c1nc(N2CCCC2)ncc1Cl 58100867 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IHAB Cn1ccnc1[C@H](NC(=O)/C=C/c1ccc(I)o1)c1ccccc1 71862948 CJLQJTGTZQDTGQ-SYJIQKIWSA-N 433.249 3.537 0 40 IHAB COc1cccc(C(=O)N2CCNC(=O)[C@H]2Cc2ccccc2-c2cccc(C)c2)c1OC 72351611 JXTBRNZBXSHEJU-HSZRJFAPSA-N 444.531 3.863 0 40 IHAB Cc1ccc(C2(CN3CCC(NC(=O)COC[C@H]4CCCO4)CC3)CCCCC2)cc1 72393593 YXHXOVZCLUZSNF-XMMPIXPASA-N 428.617 3.973 0 40 IHAB COc1ccc([C@@H]2CCCN2CC(=O)N2CCN([C@H](C)c3ccccc3)CC2)c(OC)c1 103988722 AYGFGNSZNSXOQQ-YKSBVNFPSA-N 437.584 3.746 0 40 IHAB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(O)c(Br)c3)C2=O)o1 107962447 ATGYBNPVNGYKRB-VGOFMYFVSA-N 438.255 3.771 0 40 IHAB COc1ccc([C@@H](CC(C)C)NC(=O)[C@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1 216456638 YMYKSFJRZDGIEI-HTAPYJJXSA-N 448.585 3.762 0 40 IHAB CCOC[C@]1(N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Br)cc1 218243429 WNTNTYSCGPMVDM-OKZBNKHCSA-N 444.778 3.776 0 40 IHAB COc1ccc(N([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1OC 220228844 RLVBKDQQARNTNO-LLVKDONJSA-N 447.340 3.804 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)[C@@H](CC)N(c1cc(C)ccc1C)S(C)(=O)=O 220532006 XXCBDCQJOQSJFB-LJQANCHMSA-N 432.542 3.663 0 40 IHAB CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc(Br)cc1 223624345 UOHYAWRQSQGUNM-MRXNPFEDSA-N 433.346 3.690 0 40 IHAB COc1cccc(CN(C(=O)COc2ccccc2F)[C@@H](C)C(=O)NC2CCCC2)c1 224043237 FFNGYDMGEVPJHZ-KRWDZBQOSA-N 428.504 3.689 0 40 IHAB COc1ccccc1OCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NCC(C)C 224244163 GMJMDBCRAKEUNK-KRWDZBQOSA-N 432.948 3.917 0 40 IHAB Cc1cccc(C)c1N(CCCC(=O)NCCOc1ccccc1Cl)S(C)(=O)=O 224651890 ZTGGKSUQGUVESF-UHFFFAOYSA-N 438.977 3.698 0 40 IHAB COc1ccc(CCC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)C)cc1OC 224668570 YGHPWZVBAZBTSI-KRWDZBQOSA-N 430.520 3.717 0 40 IHAB O=C(COc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1)N1CCOCC1 225544687 HJWNRNOFDIARST-UHFFFAOYSA-N 440.515 3.904 0 40 IHAB COc1ccc(CN2CCC[C@H]([C@H](NC(=O)[C@H]3CCCO3)c3ccccn3)C2)c(C)c1C 247913539 VNYUVYKEONCXHA-GPUOULLFSA-N 437.584 3.956 0 40 IHAB CCc1c(C)nc2cc([C@@H]3CCCN3C(=O)CC34C[C@H]5C[C@@H](CC(O)(C5)C3)C4)nn2c1O 247947753 ISJVBGNWVWMDOM-KMJQGLECSA-N 438.572 3.691 0 40 IHAB Cc1ccc(Cl)c(OC[C@@]2(O)CCCN(CC(=O)NC(C)(C)Cc3ccccc3)C2)c1 257265589 LZHRBAHYPNIZIO-RUZDIDTESA-N 445.003 3.992 0 40 IHAB COc1ccc(Cl)cc1N([C@@H](C)C(=O)N[C@H](C)c1ccc(C)c(C)c1)S(C)(=O)=O 260455440 QQMGNYOJMKPOKP-CVEARBPZSA-N 438.977 3.997 0 40 IHAB Cc1ccc(N([C@H](C)C(=O)NCCOc2cccc3ccccc23)S(C)(=O)=O)cc1C 260937174 PLGFXSPGNMWCGY-LJQANCHMSA-N 440.565 3.806 0 40 IHAB CCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)c2ccccc2)cc1 408662335 RHYNECNSPIXDHB-LBVMUVSTSA-N 449.503 3.890 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C)cc2)cc1 408665692 VVOQZTTZBWVTSW-UHFFFAOYSA-N 440.496 3.853 0 40 IHAB COc1ccc([C@H]2[C@H](NC(=O)c3cccc(C)c3)C(=O)N/[N+]2=C\c2ccccc2Cl)cc1 409073805 TWTRGMAVPQFQHH-WAUWHALJSA-O 448.930 3.673 0 40 IHAB COc1cc(C(=S)N2CCOCC2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 409240542 QILBIPSXJQRUIT-UHFFFAOYSA-N 434.945 3.682 0 40 IHAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CCC(Cn2nc(-c3ccccc3)ccc2=O)CC1 585147520 CBACJIGLPZYXLY-JXMROGBWSA-N 443.503 3.591 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)cc1 675464 PNKPZOLPEWCXGO-UHFFFAOYSA-N 430.551 3.617 0 40 IHAB COc1cc(NC(=O)[C@H]2CC(c3cccc(Br)c3)=NO2)cc(OC)c1OC 814944 VBEHTLKOYUWZNX-QGZVFWFLSA-N 435.274 3.607 0 40 IHAB CCn1c(COc2ccccc2OC)nnc1SCC(=O)Nc1cccc(C(C)=O)c1 908169 FVRPUEITANVTPQ-UHFFFAOYSA-N 440.525 3.819 0 40 IHAB COc1cc(OC)c(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1OC 1730690 GQZBZQRNQGILGI-UHFFFAOYSA-N 432.425 3.520 0 40 IHAB biogenic,in-vitro CSCC[C@H](NC(=O)CCc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O)C(=O)O 2107591 VIGFPSLQMXRSBD-KRWDZBQOSA-N 431.510 3.720 0 40 IHAB biogenic COc1cc2c(cc1OC)CN(C(=O)CSc1nnc3ccc4ccccc4n13)CC2 2890832 AZXGKFCZJAQWLW-UHFFFAOYSA-N 434.521 3.577 0 40 IHAB CCc1c(C)sc2nc(SCc3nc4sc5c(c4c(=O)[nH]3)CCC5)n(C)c(=O)c12 3367405 YEMQBFOJHNWBQY-UHFFFAOYSA-N 444.607 3.945 0 40 IHAB CCc1ccccc1NC(=O)CN(C)C(=O)CSc1nnc(-c2cccs2)n1CC 3466346 IKSCYGNCJPDXPV-UHFFFAOYSA-N 443.598 3.778 0 40 IHAB COc1ccc(/C=C/C(=O)Nc2ccc(C(C)=O)cc2)cc1S(=O)(=O)N1CCCCC1 3479613 FJKMIQSEQSGYGF-NTUHNPAUSA-N 442.537 3.724 0 40 IHAB COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CC(C)C)cc1OC 3493900 DTLMKFKAWFQKQI-UHFFFAOYSA-N 427.526 3.801 0 40 IHAB COc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(C)c3)C(=O)N2Cc2cccnc2)cc1 6442285 ZTDSMJPBQBCLFJ-QFIPXVFZSA-N 444.491 3.765 0 40 IHAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc([C@H](C)NC(=O)c2ccccc2)n1C 8438187 SJLBYTIEZLRBQS-AWEZNQCLSA-N 443.960 3.999 0 40 IHAB COc1ccc(C)cc1N(CC(=O)N1CCC(C)CC1)S(=O)(=O)c1ccc(C)cc1 8589823 KWDYVEJGXZTZRF-UHFFFAOYSA-N 430.570 3.766 0 40 IHAB CCOC(=O)c1c(NC(=O)COC(=O)c2[nH]c(C)c(C(C)=O)c2C)sc(C)c1CC 9218792 UFUJLRGFCRIIGJ-UHFFFAOYSA-N 434.514 3.739 0 40 IHAB Cc1cccc(NC(=O)CNC(=O)CSc2nnc(Nc3ccc(F)cc3)s2)c1C 9256102 WWNLOJXYDOCMPD-UHFFFAOYSA-N 445.545 3.885 0 40 IHAB Cc1ccc(NC(=O)CSc2nc3nccnc3c(=O)n2Cc2cccs2)c(C)c1 9405357 SMIAGVWCPJGVBG-UHFFFAOYSA-N 437.550 3.644 0 40 IHAB O=C(C[C@H]1C(=O)N[C@H]2CCCC[C@@H]2N1C(=O)NC1CCCCC1)Nc1ccc(Cl)cc1 9427290 NKYUOQBQYKWOCJ-UFYCRDLUSA-N 446.979 3.823 0 40 IHAB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2N2CCCC2=O)c1 9498753 HRSPPRZFTJNANW-UHFFFAOYSA-N 449.532 3.891 0 40 IHAB CCCn1c(=O)c2c(nc3n2CCCN3c2ccc(Oc3ccccc3)cc2)n(C)c1=O 9519017 FMHCCAFNZRYXHS-UHFFFAOYSA-N 431.496 3.641 0 40 IHAB CCN(Cc1ccccc1)C(=O)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12 9519421 ZKTUEYCSOKDREB-UHFFFAOYSA-N 431.536 3.885 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)NC(C)(C)C)Cc2c(F)cccc2Cl)cc1 9720596 QDAYQOAJTOGFCD-UHFFFAOYSA-N 426.941 3.893 0 40 IHAB CCN(CC)CCCn1c2c(c(SCC(=O)Nc3cc(C)cc(C)c3)nc1=O)CCC2 9746405 QRRXPLUAWQTSPD-UHFFFAOYSA-N 442.629 3.812 0 40 IHAB O=C(NCc1ccccc1CN1CCCC1)c1nn(-c2ccccc2)c(=O)c2ccccc12 9816989 SCNGJXAXULNKCV-UHFFFAOYSA-N 438.531 3.912 0 40 IHAB CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)C1 10302653 FYDSCJHYNHNIKQ-INIZCTEOSA-N 434.945 3.571 0 40 IHAB C[C@@H]1CCc2c(sc3nc([C@@H](C)Sc4nnnn4Cc4ccco4)[nH]c(=O)c23)C1 11309531 VANPONMSLNQVJH-GHMZBOCLSA-N 428.543 3.591 0 40 IHAB Cc1oc(-c2ccc3c(c2)OCCO3)cc1C(=O)N[C@H](Cc1cc2ccccc2[nH]1)C(=O)O 12372395 BMBXLIYGTUVGTH-HXUWFJFHSA-N 446.459 3.933 0 40 IHAB COc1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3ccc4cc[nH]c4c3)cc2)cc1 12406616 BSEJCRKKPCZMEV-UHFFFAOYSA-N 435.505 3.907 0 40 IHAB CC(=O)c1ccc(OC[C@@H](O)CSc2nc(N)c3c4c(sc3n2)CCCC4)cc1 12509604 VHGOXUMELOLUGV-CQSZACIVSA-N 429.567 3.887 0 40 IHAB CSCC[C@@H](NC(=O)CN1C(=O)CSc2ccccc21)c1nc2ccccc2[nH]1 12547702 JNRQGCJMVZMPGE-MRXNPFEDSA-N 426.567 3.612 0 40 IHAB CCc1ccc(N(C(=O)c2csnn2)[C@H](C(=O)NC2CCCC2)c2ccccn2)cc1 12869579 HRHBNMPOTRKMRM-NRFANRHFSA-N 435.553 3.942 0 40 IHAB O=C(NC1CC1)c1ccc(CN(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 12919079 DZDCESGRQMVMDB-UHFFFAOYSA-N 438.471 3.951 0 40 IHAB O=C(Nc1ccccc1F)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 13677378 QFPGQIWBQQWNNQ-NRFANRHFSA-N 426.469 3.562 0 40 IHAB CSCC[C@H](C(=O)NCc1ccc(C(F)(F)F)cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 14013754 VMKGZERQGSXEMK-YESZJQIVSA-N 442.503 3.619 0 40 IHAB COc1ccc([C@@H](CNC(=O)c2ccc3c(c2)NC(=O)CCS3)N2CCCC2)cc1 14183859 YPTMPCVKZYUYOE-HXUWFJFHSA-N 425.554 3.696 0 40 IHAB Cc1ccc(C)c(OC[C@@H](O)Cn2c(CC(=O)NCc3ccccc3)nc3ccccc32)c1 14290511 XZNFQWPRZTZILU-QFIPXVFZSA-N 443.547 3.952 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)n(C)c1 14701111 IXRVZDJYZKHKPY-ZDUSSCGKSA-N 431.480 3.565 0 40 IHAB O=C(Cn1c(=O)cnc2ccccc21)NCc1cn(-c2ccccc2)nc1-c1ccccc1 15099171 UBWWXPXOYVHXAK-UHFFFAOYSA-N 435.487 3.566 0 40 IHAB O=C(Nc1ccccc1Br)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 15576936 KCAPZIYIFMMWOX-CYBMUJFWSA-N 441.322 3.628 0 40 IHAB O=C(NCc1ccccc1)[C@@H](c1ccccc1F)N(C[C@H]1CCCO1)C(=O)c1ccccn1 15935962 OCUNOQAXCJBEFB-HYBUGGRVSA-N 447.510 3.900 0 40 IHAB COc1ccc2[nH]cc(CCNC[C@H]3C(=O)O[C@@H]4CC5=CCC[C@@H](C)[C@@]5(C)[C@H](O)[C@H]34)c2c1 16037057 BJRTZLZJYHGJHK-MZSFLVEDSA-N 438.568 3.594 0 40 IHAB C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)o1 16234072 OYXLBXBTMWZMHT-QJWRSFSASA-N 427.932 3.853 0 40 IHAB O=C([C@H]1CCCO1)N1CC[C@@H](c2nc(Nc3cccc(F)c3)cc(-c3ccncc3)n2)C1 19294161 FYJYUTOGKBGRSZ-DYESRHJHSA-N 433.487 3.916 0 40 IHAB CC(C)c1cc(C(=O)N2CCC(c3nc(NC4CC4)ncc3-c3ccncc3)CC2)[nH]n1 19451757 YAGDKKFYHZKBQQ-UHFFFAOYSA-N 431.544 3.979 0 40 IHAB CCC(CC)C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)CC1CCCCC1)CC2 19500174 SPJAALQOTSTBDO-OAQYLSRUSA-N 442.604 3.725 0 40 IHAB CCN1CCN(C(=O)Cc2ccc(F)cc2)C[C@H](Cc2cccc(-c3cccnc3)c2)C1=O 19527547 RPHSJGCAAIAETN-DEOSSOPVSA-N 445.538 3.980 0 40 IHAB CN(C)c1nc2ccccc2cc1CN1CCO[C@H](c2ccc(-c3ccc(N)nc3)cn2)C1 19692434 WQQXIADUYZATJH-DEOSSOPVSA-N 440.551 3.914 0 40 IHAB COc1cccc(OC)c1-c1cnc(N(C)C)nc1[C@@H]1CCCCN1C(=O)c1ccncc1 19694823 WSYWRXBEZQAUNA-IBGZPJMESA-N 447.539 3.989 0 40 IHAB CC(C)NC(=O)c1sc2ncccc2c1[C@@H]1CN(C(=O)c2cc(C3CC3)on2)CCO1 19702863 XRQOKVASRXZMPA-KRWDZBQOSA-N 440.525 3.514 0 40 IHAB CCOC(=O)[C@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@@H]1c1ccco1 19820495 FMWRNVDTUQAAMW-FGZHOGPDSA-N 429.476 3.987 0 40 IHAB O=C(CCC(=O)c1cccs1)NCCC(=O)OCC(=O)c1ccc(Cl)c(Cl)c1 21738747 FWOCHYFMJMSMQF-UHFFFAOYSA-N 442.320 3.950 0 40 IHAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)C1=CN2CCS(=O)(=O)N=C2C=C1 21846593 SNKOTITXAZFXBI-UHFFFAOYSA-N 429.885 3.568 0 40 IHAB Cc1cc(C)c(N(CC(=O)NCCCc2ccc(OC(C)C)cc2)S(C)(=O)=O)c(C)c1 22401466 PMZBVYQNHOCPDO-UHFFFAOYSA-N 446.613 3.914 0 40 IHAB C[C@@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1 22539687 GALLBVBOOYEKJI-ZHRRBRCNSA-N 444.503 3.732 0 40 IHAB COc1cc(C(=O)Nc2ccc(-c3nnnn3C3CC3)cc2)cc(OC)c1Br 22889258 AEYPTNIZYIZRAD-UHFFFAOYSA-N 444.289 3.707 0 40 IHAB COc1ccc(OC)c(CNC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)c1 22969156 LQJHYMHSACYVFH-UHFFFAOYSA-N 444.484 3.574 0 40 IHAB CCCCN(C(=O)CSc1nc2cc(S(N)(=O)=O)ccc2n1CCC)[C@@H](C)CC 23044107 FRRMMODZLPECGY-HNNXBMFYSA-N 440.635 3.613 0 40 IHAB COC(=O)c1ccc(NC(=O)Cc2c(C)nc(S[C@H](C)c3ccccc3)[nH]c2=O)cc1 23138704 VPOQGFAYMIFXEQ-OAHLLOKOSA-N 437.521 3.899 0 40 IHAB CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3ccnn3Cc3ccccc3)cc2)c1C 24575321 WATXUQYVODQRKM-UHFFFAOYSA-N 429.480 3.855 0 40 IHAB Cn1c(Cc2ccccc2)nnc1SCC(=O)N1CCN(c2cccc(Cl)c2)CC1 24991112 QNLCFGSEQBYUPE-UHFFFAOYSA-N 441.988 3.500 0 40 IHAB COc1ccc(-c2nc(Cn3nnc(C(=O)Nc4cc(F)ccc4C)c3N)c(C)o2)cc1 33291840 KXTBSORAHVYQPH-UHFFFAOYSA-N 436.447 3.580 0 40 IHAB COc1cccc(/C=C2\SC(=O)N(CCC(=O)NCCc3c[nH]c4ccccc34)C2=O)c1 33539331 HXPVBAIURGYNQN-STZFKDTASA-N 449.532 3.962 0 40 IHAB Cc1cccc2cc([C@H](c3nnnn3CCc3ccccc3)N3CCC[C@H](C)C3)c(=O)[nH]c12 33936877 IYAMYDGJJLKJQR-MHECFPHRSA-N 442.567 3.887 0 40 IHAB C/C=C(\C)C[C@H](C)C[C@H](C)[C@H]1OC(=O)C=C[C@H]1OC(=O)/C=C/C(C)=C/[C@@H](CO)CCO 35465241 OHRGHFXATDKGOV-FXYCKZMJSA-N 434.573 3.892 0 40 IHAB biogenic,in-vitro C[C@@H]1CCC[C@H](NC(=O)COC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)[C@@H]1C 36476365 WBDQSMOUSQSXQC-VKGYTVAMSA-N 436.552 3.512 0 40 IHAB CC[C@](C)(CNC(=O)Nc1ccc(F)c(NC(=O)c2ccoc2C)c1)N1CCOCC1 40105587 FDWACESIDNXZPH-JOCHJYFZSA-N 432.496 3.602 0 40 IHAB COc1ccccc1N1C[C@H](c2nc3ccccc3n2CC(=O)N2CCCCCC2)CC1=O 40253382 ZZEZTXPWUGYLKU-LJQANCHMSA-N 446.551 3.968 0 40 IHAB CCc1nn2c(ncc3c(=O)n(NC(=O)c4ccccc4)ccc32)c1-c1ccc(F)cc1 40396816 XDKBKDNWLHHTSY-UHFFFAOYSA-N 427.439 3.797 0 40 IHAB Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccccc3Cl)c2=O)c1 57489944 FHEUJKSQQCFMOW-UHFFFAOYSA-N 425.897 3.814 0 40 IHAB CCN(Cc1ccccc1)C(=O)Cn1c(=O)n(-c2cc(C)ccc2C)c(=O)c2sccc21 57492565 AQVLTAJAUDERNK-UHFFFAOYSA-N 447.560 3.879 0 40 IHAB Cc1cc(C)cc(N2C[C@H](C(=O)Nc3ccc(I)cc3)CC2=O)c1 59227328 UXGPPXZFMGYBPN-CQSZACIVSA-N 434.277 3.900 0 40 IHAB COc1c(F)c(F)c(C(=O)NC(=S)Nc2c(C)ccc3nsnc23)c(F)c1F 59294587 HGUOFEZNHBTZOB-UHFFFAOYSA-N 430.408 3.692 0 40 IHAB CCOc1ccc2nc(NC(=O)C3CCN(c4ccc(-n5cccn5)nn4)CC3)sc2c1 62022699 URMDXQKCFMETRL-UHFFFAOYSA-N 449.540 3.526 0 40 IHAB O=C(CCc1ccc(F)cc1)N1CCC(CC(=O)N2CCN(c3ccccc3)CC2)CC1 72344532 YIDLNLYDCZXEOX-UHFFFAOYSA-N 437.559 3.736 0 40 IHAB CCc1nnc(Nc2cccc([C@H]3CCCN(CC(=O)N4CCC(C)CC4)C3)n2)s1 72375958 YKVVYUPGQCDELN-KRWDZBQOSA-N 428.606 3.677 0 40 IHAB COCc1ccc(C(=O)N2CCC[C@H](CN(C(=O)c3ccc(COC)o3)C(C)C)C2)o1 95979881 BUHCYXVERFZTOZ-KRWDZBQOSA-N 432.517 3.568 0 40 IHAB Cc1cc(C)n(CCCC(=O)N2Cc3nc4c(C)c(-c5cccs5)nn4c(O)c3C2)n1 100215537 WHBAUWOYMNWWLA-UHFFFAOYSA-N 436.541 3.608 0 40 IHAB Cc1ccc(Oc2ccc(NC(=O)CN3C(=O)[C@H]4[C@@H]5C=C[C@@H]([C@H]6C[C@H]56)[C@H]4C3=O)cc2)cc1 100284246 HDGXAMFZBUFNBI-DRRJAYDASA-N 428.488 3.779 0 40 IHAB CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(Br)c(C)c1 222384350 DGJKFHXTCHEASL-MRXNPFEDSA-N 433.346 3.608 0 40 IHAB COc1cccc(-c2noc(CNS(=O)(=O)Cc3ccc(Cl)c(Cl)c3)n2)c1 223647469 GBPHUJCTCWNSGS-UHFFFAOYSA-N 428.297 3.672 0 40 IHAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)COc1ccccc1F 225546295 ACMFPYXLAXAFML-QHCPKHFHSA-N 434.511 3.899 0 40 IHAB CC(C)NC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)[C@@H]2C[C@H]2C)CCO1 247976109 FTMYFZDPROOUPC-PWAGRJGVSA-N 426.582 3.736 0 40 IHAB Cc1nc(Nc2ncc(C)s2)cc([C@H]2CCN(C(=O)c3cc(C(F)(F)F)[nH]n3)C2)n1 257256607 KMEZUVHFKZRILM-NSHDSACASA-N 437.451 3.665 0 40 IHAB CC(=O)Nc1ccc(OCCN2CCO[C@@H](c3ccc(Nc4ncccc4C)cn3)C2)cc1 257257343 KPDFYSUNOGJLPJ-XMMPIXPASA-N 447.539 3.939 0 40 IHAB O=C(C[C@]1(COc2cccc(Cl)c2)CCCN(C(=O)c2cc[nH]n2)C1)N1CCCCC1 257325806 WUMZCGLKGNECMS-HSZRJFAPSA-N 444.963 3.767 0 40 IHAB O=C(CN1CCO[C@H](c2cncc(-c3ccccc3F)n2)C1)Nc1ccc2ncccc2c1 257330344 XNZDHSDSXHYFSZ-DEOSSOPVSA-N 443.482 3.843 0 40 IHAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCC3CCCCC3)Oc3ccc(C)cc32)cc1 260841672 BMCCILWTHHQJOX-HSZRJFAPSA-N 442.581 3.956 0 40 IHAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1Cl 408561401 RZDKNLPJIHCGDE-SNVBAGLBSA-N 436.839 3.673 0 40 IHAB CC(C)NC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 408616494 ZGVIFRNFGNMGQD-CQSZACIVSA-N 444.329 3.579 0 40 IHAB C[C@@H](NC(=O)COC(=O)CCS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1 408646454 PGBCXMURSBFSOB-CYBMUJFWSA-N 444.336 3.578 0 40 IHAB Cc1cccc(C)c1NC(=O)COC(=O)c1cccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 408659637 MKYGLEDWKQFQEG-PMACEKPBSA-N 434.492 3.779 0 40 IHAB COc1ccc(C(=O)Nc2cccc(F)c2)cc1S(=O)(=O)NCCc1ccccc1 408713761 UESZHCVOSDTXDH-UHFFFAOYSA-N 428.485 3.608 0 40 IHAB COc1cc(C)c(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc1C 409217270 AUCPGWNNXCORTL-MTJSOVHGSA-N 436.533 3.933 0 40 IHAB COc1cccc2nc(C[C@H]3CN(C(=O)NC4CCCCC4)CC[C@H]3CC(=O)O)[nH]c12 514289428 UCTFHRWGXNWFKR-HOTGVXAUSA-N 428.533 3.569 0 40 IHAB biogenic,in-vitro O=C(c1cccc(CNC(=O)N2CCC[C@H]2c2cccc(Cl)c2)c1)N1CCOCC1 547388540 ZLTVCVOUANZNIK-NRFANRHFSA-N 427.932 3.859 0 40 IHAB CC(=O)NCCCC(=O)N1CC2(CCOCC2)c2cc(-c3cccc(NC(C)=O)c3)ccc21 585105722 HGKWYRMSQXJWLI-UHFFFAOYSA-N 449.551 3.623 0 40 IHAB CC(=O)Nc1cc(-c2ccc3c(c2)C2(CCOCC2)CN3C(=O)c2cc(C)on2)ccn1 585105844 SUHDIJBXIDGCRC-UHFFFAOYSA-N 432.480 3.712 0 40 IHAB Cc1cc(C)cc(C(=O)N2CC[C@]3(CCc4nnc(C(=O)NC5CCCCC5)n4CC3)C2)c1 585106734 GVPCBONLHSFXRR-SANMLTNESA-N 449.599 3.826 0 40 IHAB Cc1cccc2c1NCC[C@H]1CC[C@@H](CN(C(=O)COc3cccc(N(C)C)c3)C2)N1C 643574351 RIAHEZOGGRFAFX-GGAORHGYSA-N 436.600 3.747 0 40 IHAB Cc1cc2n(n1)C1(CCN(C(=O)Nc3cccc(F)c3)CC1)CC(=O)N2Cc1ccncc1 1772596392 CTEIUCKOPFWYHU-UHFFFAOYSA-N 448.502 3.686 0 40 IHAB CCOc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2C[C@H]2CCCO2)cc1 894278 OSJRSWNVAQREFI-GOSISDBHSA-N 439.537 3.705 0 40 IHAB CC1=C(C(=O)O[C@H]2CCC[C@@H]2C)[C@@H](c2cc3c(cc2Br)OCO3)NC(=O)N1 974501 PXOBGQLVURFQNO-SIXIKZCJSA-N 437.290 3.538 0 40 IHAB COc1ccc(Cl)cc1NC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1 983529 IBLCRTOFSDTPMT-UHFFFAOYSA-N 438.933 3.587 0 40 IHAB Cc1ccc2c(c1)cc(CN(Cc1ccc(F)cc1)C(=O)c1ccncc1)c1nnnn12 1376958 ZZEDWFHHAYITOX-UHFFFAOYSA-N 426.455 3.963 0 40 IHAB CC(C)CC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)cc1 2651057 VJTIBZBHEDSVLU-VWLOTQADSA-N 433.508 3.638 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cnn(CC)c2C)c(Cl)cc1Cl 2794376 IBYBXCDGBITIIJ-UHFFFAOYSA-N 433.361 3.801 0 40 IHAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 3421349 LIKIHCNKDKPZQM-INIZCTEOSA-N 440.455 3.622 0 40 IHAB CCOc1cc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3S[C@H](C)C(=O)N32)ccc1OC(C)=O 3636549 UXLXVMBCDQBBCY-YJYMSZOUSA-N 446.525 3.611 0 40 IHAB COc1ccc([C@@H]2CC(=O)c3cnc(NC(=O)c4cc(OC)cc(OC)c4)nc3C2)cc1 4301968 AEUDIVVJSRBPJW-HNNXBMFYSA-N 433.464 3.667 0 40 IHAB COc1ccc(S(=O)(=O)[C@@H](CNC(=O)COc2ccc(F)cc2)c2cccs2)cc1 8768783 VOYJHCODKQNXJF-FQEVSTJZSA-N 449.525 3.606 0 40 IHAB O=C(CSc1nc(CC(=O)Nc2ccc3c(c2)OCO3)cs1)Nc1ccc(F)cc1 8852070 YHUZBLCDHRFYAR-UHFFFAOYSA-N 445.497 3.923 0 40 IHAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)OCc1nc(N)nc(Nc2ccccc2)n1 9245040 WSDDAABXKKWQPH-UHFFFAOYSA-N 435.875 3.702 0 40 IHAB COc1ccc(CNc2nc(-c3cccnc3)nn2C(=O)c2ccc(C)cc2)cc1OC 9288878 OHMYCRCZJXSKPE-UHFFFAOYSA-N 429.480 3.966 0 40 IHAB Cc1cc(C)cc(O[C@H](C)C(=O)N(Cc2ccc(Cl)cc2)[C@@H]2CCS(=O)(=O)C2)c1 9345945 MMVLCRIUIHOPNC-YLJYHZDGSA-N 435.973 3.940 0 40 IHAB Cc1ccc([C@]2(c3ccccc3)NC(=O)N(CC(=O)NCC3CCCCC3)C2=O)cc1C 9414611 ZDXOLUNNYOYJDQ-SANMLTNESA-N 433.552 3.795 0 40 IHAB CCCN1C(=O)[C@]2(c3ccccc31)c1c(oc3cc(C)c(C)cc3c1=O)C(=O)N2CCOC 9431976 SXIOOJOFDHPYBA-SANMLTNESA-N 446.503 3.512 0 40 IHAB COCCCN1C(=O)NC(=O)/C(=C2\C[C@@H](c3ccccc3)Sc3ccccc3N2)C1=O 9434007 CUOQOUATNOEDKL-BWHWTHMTSA-N 437.521 3.705 0 40 IHAB C[C@@H](C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)N1C[C@H](C)C[C@@H](C)C1 9630944 DKTDSSVMVIQESN-ZACQAIPSSA-N 442.025 3.820 0 40 IHAB Cc1cc(C(=O)COC(=O)C2=NN(c3ccccc3)C(=O)CC2)c(C)n1Cc1ccco1 9631068 ISLUQGZTZMHYQL-UHFFFAOYSA-N 433.464 3.655 0 40 IHAB C[C@@H](Sc1nnc(NCc2ccco2)s1)C(=O)Nc1ccc(N2CCOCC2)cc1 9789335 IWKKYHKQASADGU-CQSZACIVSA-N 445.570 3.699 0 40 IHAB CN(c1ccc(C(=O)CSc2nnc(-c3cccs3)n2C2CC2)cc1)S(C)(=O)=O 9812355 FHSJBHAKMQKHPI-UHFFFAOYSA-N 448.595 3.712 0 40 IHAB CCOc1ccc(-n2c(SCC(=O)NCCOC)nnc2-c2ccc(Cl)cc2)cc1 11152903 RKLZABZYBMFVOI-UHFFFAOYSA-N 446.960 3.841 0 40 IHAB C[C@@H](Oc1ccc(F)cc1F)C(=O)N1CCC(c2nc3ccccc3cc2C(N)=O)CC1 12219661 OGNWJHBQNMKEMJ-CQSZACIVSA-N 439.462 3.785 0 40 IHAB Cc1cc(N2CCCC2=O)ccc1S(=O)(=O)NC[C@@H](C)OC12CC3CC(CC(C3)C1)C2 12445969 HMPSVTMBINGFJC-OQOKOFKUSA-N 446.613 3.774 0 40 IHAB COc1ccc(OC)c([C@H](C)NC(=O)Cn2c(S)nnc2-c2ccc(Cl)cc2)c1 12777652 DBWBNDYLJNVDND-LBPRGKRZSA-N 432.933 3.782 0 40 IHAB O=C(CSc1nnnn1C[C@H]1CCCO1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 12789436 KGNVUPPQUCVTDI-QUCCMNQESA-N 443.960 3.503 0 40 IHAB CCCc1cc(C(=O)N(CC)Cc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)sc1C 12794814 YGNXPPBBNJSECF-UHFFFAOYSA-N 429.542 3.925 0 40 IHAB O=C(NC(=S)Nc1ccc(NC(=O)c2cccs2)cc1)c1ccc2c(c1)OCO2 12857707 DHLJYRYKOBNAHH-UHFFFAOYSA-N 425.491 3.856 0 40 IHAB Cc1cc(Cl)ccc1OCC(=O)Nc1c(C(=O)N2CCOCC2)oc2ccccc12 12869119 UGISWLYRFQZJKO-UHFFFAOYSA-N 428.872 3.885 0 40 IHAB CN(C[C@H](O)c1ccc(O)cc1)C(=O)COc1ccc2c(=O)c(-c3ccccc3)coc2c1 12898173 NNTGFFPEVLAJSN-QHCPKHFHSA-N 445.471 3.736 0 40 IHAB biogenic O=C(/C=C/c1ccsc1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 12905633 OOJXQJOXCHTWPB-DAFODLJHSA-N 431.366 3.601 0 40 IHAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C 12924152 ZKMDMUOWODZTSX-UHFFFAOYSA-N 432.885 3.866 0 40 IHAB O=C(Cc1cccc2ccccc12)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1 13164733 IKKPWLANBFFMQO-FQEVSTJZSA-N 427.504 3.827 0 40 IHAB Fc1ccc(Cn2nnnc2[C@@H](c2ccccc2)N2CCN(c3ccccc3)CC2)cc1 13504742 NKYKAZFOWXLZLP-XMMPIXPASA-N 428.515 3.772 0 40 IHAB CCOc1ccc(S(=O)(=O)NCc2cccnc2)cc1NC(=O)c1cccc(Cl)c1 13566392 JPJOIDQXNDXRQS-UHFFFAOYSA-N 445.928 3.865 0 40 IHAB COc1cc(C(=O)Nc2ccc3c(c2)nc2n3CCN(CC(C)C)C2)cc(OC)c1OC 13690363 NEYBKUMYTYEBMR-UHFFFAOYSA-N 438.528 3.786 0 40 IHAB O=C1CC[C@]2(C(=O)Nc3cc4c(cc3Br)OCCO4)Sc3ccccc3N12 14198484 JNZABHXFHGKAHF-LJQANCHMSA-N 447.310 3.788 0 40 IHAB COc1cccc(CN(C)C(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)c1 15354781 HHDPKQWFZDGIOK-UHFFFAOYSA-N 428.485 3.907 0 40 IHAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)CSc2nnnn2C2CCCCC2)c1 16295537 KRBUNDAWUKFIAT-SFHVURJKSA-N 431.562 3.651 0 40 IHAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(Cl)ccc2C)cc1Cl 16692592 XGHDZEGBFRSFBG-UHFFFAOYSA-N 431.341 3.960 0 40 IHAB O=C(NC(=S)Nc1ccc(NC(=O)c2ccccc2)cc1)c1ccc2c(c1)OCCO2 17098410 CBPCMRGXXLJGQF-UHFFFAOYSA-N 433.489 3.837 0 40 IHAB COc1ccc(CC(=O)N2CCC(c3nc(C)ncc3-c3cc(C)no3)CC2)cc1OC 19122843 YUBVSWDIZCBODD-UHFFFAOYSA-N 436.512 3.714 0 40 IHAB CN(C)Cc1ccc(C(=O)NCCn2ncc(-c3cnccn3)c2-c2cccs2)cc1 19583535 VZOAWVIEONUCPU-UHFFFAOYSA-N 432.553 3.560 0 40 IHAB Cc1cc(C)n(CC(=O)N2CCC[C@H](c3nc(N(C)C)ncc3-c3ccc(F)cc3)C2)n1 19694022 LCEGINHLFOTEPZ-IBGZPJMESA-N 436.535 3.568 0 40 IHAB C[C@H]1CCCCN1CCC(=O)N1CCC(c2ccc(C(=O)N3CCCCC3)cn2)CC1 19705781 WOSXNHAXPLUBTO-FQEVSTJZSA-N 426.605 3.678 0 40 IHAB COC(C)(C)C(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(Cc1ccc(C)cc1)C(=O)CC2 19741905 XYKPIHHPYMJYKR-HXUWFJFHSA-N 436.556 3.661 0 40 IHAB CC(C)(C)c1n[nH]cc1CN1CC[C@@H](c2cc(C(=O)N3CCOCC3)c3ccccc3n2)C1 19761941 YMUWBCHEVVTFEW-GOSISDBHSA-N 447.583 3.717 0 40 IHAB COc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)NC(=O)[C@@H](C)O4)cs2)cc1OC 19796558 KSKVTSUQWROTMU-LLVKDONJSA-N 425.466 3.799 0 40 IHAB CS(=O)(=O)N(CC(=O)N[C@H]1CCCc2ccccc21)c1cc(Cl)ccc1Cl 20461622 CHULJKVHGCMQKL-KRWDZBQOSA-N 427.353 3.953 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NCCCN3CCCC3)c2)cc1 20492362 CSDQAMAFINKXLI-UHFFFAOYSA-N 435.977 3.665 0 40 IHAB COc1cc(OC)c(OC)cc1CNC(=O)c1cccnc1SCc1c(C)noc1C 21704085 BJFPZVXFTZLQKP-UHFFFAOYSA-N 443.525 3.935 0 40 IHAB COc1ccc(N(CC(=O)NCCCc2ccccc2Cl)S(C)(=O)=O)cc1Cl 22337886 SVNWGTZNDVHUAN-UHFFFAOYSA-N 445.368 3.517 0 40 IHAB CCc1ccc(Cn2nccc2NC(=O)CCn2cnc3sc(C)c(C)c3c2=O)cc1 22416782 LDZYKROBCRURMQ-UHFFFAOYSA-N 435.553 3.911 0 40 IHAB O=C(NCc1ccc(-n2ccnc2)cc1)c1cccc(NS(=O)(=O)c2ccccc2)c1 22509382 MRZZYRLHJCAAIN-UHFFFAOYSA-N 432.505 3.603 0 40 IHAB Cc1ccc(-c2noc(CN3N=N[C@H]4C(=O)N(c5ccc(C(C)C)cc5)C(=O)[C@@H]43)n2)cc1 23126518 BCFJROIYEYSRMY-WOJBJXKFSA-N 430.468 3.662 0 40 IHAB CCOC(=O)c1cnn(-c2ccc(NC(=O)c3ccc(N4CCCC4=O)cc3)cc2)c1C 24589544 LUBZBNCZXJJKSR-UHFFFAOYSA-N 432.480 3.737 0 40 IHAB O=C(Nc1ccc(F)c(F)c1)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 24607192 BQQYRYOFLFZFFU-UHFFFAOYSA-N 428.888 3.799 0 40 IHAB CCc1ccc(O)c(-c2cc(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)[nH]n2)c1 27756281 DPIIBNXFTCNHAI-UHFFFAOYSA-N 442.522 3.610 0 40 IHAB COc1cccc(NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1 32116785 DHAILMIUPVLARC-UHFFFAOYSA-N 428.485 3.664 0 40 IHAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)c1 32740880 VOLDOSOHAADHTP-QFIPXVFZSA-N 425.485 3.502 0 40 IHAB COc1ccc2c(c1)c1nc(SCC(=O)Nc3ccc(Cl)cc3)n(C)c(=O)c1n2C 33287699 FLHXWVWXENGBCD-UHFFFAOYSA-N 442.928 3.818 0 40 IHAB CC1(C)C[C@@H]2C[C@@](C)(CN2[C@H](C(=O)O)c2c[nH]c3cc(NC(=O)CCC(=O)O)ccc23)C1 36366446 WDMRDUHOSJOFOP-OECQAKIHSA-N 441.528 3.998 0 40 IHAB Cc1cccc(Nc2nc(N3CCC(C(N)=O)CC3)nc3c2cnn3-c2ccc(F)cc2)c1 36656921 KEYQNZVTWAJIBQ-UHFFFAOYSA-N 445.502 3.708 0 40 IHAB COc1ccc(OC)c([C@H]2[C@H](C(=O)Nc3ccc(Cl)cc3)[C@H](C)Nc3ncnn32)c1 36701589 FTMPJZDZMYJWJV-RQUSPXKASA-N 427.892 3.607 0 40 IHAB Cc1cccc(C(=O)N2CCCC2)c1NC(=O)NCCc1cc(F)cc2c1OCOC2 40120251 OYXNYPNQTCOYJP-UHFFFAOYSA-N 427.476 3.601 0 40 IHAB CC(=O)Nc1ccc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3CCC(C)C)cc1 40312733 FCLVXHGZDMZYAF-RUZDIDTESA-N 448.523 3.609 0 40 IHAB biogenic Cc1cc2nc(COC(=O)c3ccc(C)c(NC(=O)c4ccccc4F)c3)cc(=O)n2o1 41089569 HXQUYHDKLVOSEO-UHFFFAOYSA-N 435.411 3.653 0 40 IHAB CCOc1cccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)c1 44911338 QJHUSTZUTBFRTF-HXUWFJFHSA-N 432.542 3.549 0 40 IHAB O=C(NC(c1ccccc1)c1ccccc1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 46699751 URUOHPWQWUIRRE-QFIPXVFZSA-N 434.561 3.993 0 40 IHAB CSCC[C@H](NC(=O)c1nc(N2CCCC2)ncc1Cl)c1nc2ccccc2[nH]1 48248139 UGPCUKCFQLNMQY-INIZCTEOSA-N 430.965 3.831 0 40 IHAB CCOc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3)nc3[nH]ncc3c2=O)cc1 51316426 JBLULPAXESURDA-UHFFFAOYSA-N 435.509 3.547 0 40 IHAB COc1cc(/C=C/C(=O)Nc2sc3c(c2C(=O)NC2CC2)CCC3)cc2c1OCCO2 58168240 VGVPYXUSCMKPQM-VMPITWQZSA-N 440.521 3.561 0 40 IHAB CN(CC(=O)Nc1ccnn1Cc1ccsc1)C(=O)c1ccc(Br)s1 65552420 ODOLQGDQXVDSQM-UHFFFAOYSA-N 439.360 3.528 0 40 IHAB CC[C@H](Oc1ccccc1OC)C(=O)N1CCC[C@@H](c2cc(C(F)F)n3ncnc3n2)C1 72395373 XJEZBSOFDJVJCY-PBHICJAKSA-N 445.470 3.634 0 40 IHAB O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC(c2nnc(C(F)(F)F)o2)CC1 77198100 AEFIVQWXUTXZHG-UHFFFAOYSA-N 445.341 3.555 0 40 IHAB CCNC(=O)C1(NCC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)CCCCC1 79023296 KPVGSTSNUIGLFH-KRWDZBQOSA-N 444.626 3.916 0 40 IHAB CCc1ccc(C(=O)N2CCN(C(=O)c3c(OC)ccc(SC)c3OC)CC2)cc1 95462897 LDUJMGOPRYGGCM-UHFFFAOYSA-N 428.554 3.586 0 40 IHAB Cc1ccc(N2C[C@H](C(=O)N3CCC(Oc4ncccc4Cl)CC3)CC2=O)cc1C 96096870 PHPGZAROZHBAQS-QGZVFWFLSA-N 427.932 3.775 0 40 IHAB O=S(=O)(c1ccccc1)C1CCN(S(=O)(=O)c2cccc(-c3ccccc3)c2)CC1 96099431 MRITWEWDJHGSNJ-UHFFFAOYSA-N 441.574 3.981 0 40 IHAB COc1ccc(CN2[C@@H]3CC[C@@H]2CC(NC(=O)c2cc(OC)c(OC)c(OC)c2)C3)cc1 100423553 RBTQOQLJMOZXDS-WOJBJXKFSA-N 440.540 3.646 0 40 IHAB CCn1c(SCC(=O)Nc2ccccc2)nnc1[C@@H](C)NC(=O)c1ccc(OC)cc1 101164419 PAUOQKRAJVZRHI-OAHLLOKOSA-N 439.541 3.528 0 40 IHAB CCN1c2cc(OC)c(OC)cc2C(C)=C(C(=O)Nc2cccc(SC)c2)S1(=O)=O 219195399 GMNBMWZYEMJPAP-UHFFFAOYSA-N 448.566 3.965 0 40 IHAB CCc1ccc(N([C@H](C)C(=O)N[C@@H](CC)c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 220291313 HUDXGIZFLGRRFH-UZLBHIALSA-N 448.585 3.688 0 40 IHAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(O)c(I)c2)S1 222583133 WVZCHJKYRJONMQ-GTTSAUCSSA-N 437.306 3.981 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCCOc1cccc2ccccc12)c1ccc(F)cc1 223539077 DLVDXSSRPVDQBH-UHFFFAOYSA-N 444.528 3.720 0 40 IHAB CN(c1ccccc1C(=O)NCCOc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 223863610 JSXJPXQFSMJRQE-UHFFFAOYSA-N 444.940 3.974 0 40 IHAB CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCCOc1ccc(OC)cc1 224381069 DWWUOWBRMBFHPG-QFIPXVFZSA-N 430.520 3.937 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCCOc1ccccc1Cl)c1ccccc1Cl 224668443 OPVNLTHTCWZLCL-UHFFFAOYSA-N 445.368 3.735 0 40 IHAB CC[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N(c1ccccc1F)S(C)(=O)=O 224889291 FIMOKBXJIQURKZ-HNNXBMFYSA-N 434.411 3.908 0 40 IHAB CCOC(=O)CN(c1cccc(C(=O)OC)c1)S(=O)(=O)c1cc(Cl)ccc1Cl 224943329 CPPAQFFULCMZDH-UHFFFAOYSA-N 446.308 3.538 0 40 IHAB CCOc1ccc(N([C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)cc1 224948085 LVZBSHQLTMOTLP-SFHVURJKSA-N 445.585 3.869 0 40 IHAB CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCOc1ccc(OC)cc1 225029391 ASPJDRPHDTYGJT-LJQANCHMSA-N 442.556 3.806 0 40 IHAB COC(=O)c1cc(S(=O)(=O)NCCOc2ccc(C(C)(C)C)cc2)ccc1Cl 225184564 QNDIVUQCBJSXLZ-UHFFFAOYSA-N 425.934 3.781 0 40 IHAB CC(C)[C@@H](C)NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 225187140 LKVDGGKYRZWLHG-OAHLLOKOSA-N 439.375 3.805 0 40 IHAB Cc1noc(-c2ccn3c(CNC(=O)NC(c4ccccc4)c4ccccc4)nnc3c2)n1 225745732 GTQFHVMOALCTSJ-UHFFFAOYSA-N 439.479 3.677 0 40 IHAB CCC(=O)N[C@@H]1c2ccccc2CC[C@]12CN(Cc1ccccc1)C[C@H]2C(=O)NC(C)C 248015785 SPTBKQXXKNZLTF-VXQMPNGUSA-N 433.596 3.843 0 40 IHAB Cc1nc([C@@H]2CCN(C(=O)CCC3CCCC3)C2)nc(C)c1CC(=O)NC1CCCC1 257274487 NLGQXWBBPFVZDF-HXUWFJFHSA-N 426.605 3.981 0 40 IHAB Cc1c(C(=O)N2CCC[C@@](COc3ccc(F)cc3)(CC(N)=O)C2)c2ccccc2n1C 257289139 PXDKQBUPWKGVNU-RUZDIDTESA-N 437.515 3.803 0 40 IHAB COc1ccc(CN2CCO[C@H](c3nnn4cc(-c5ccc(OC)cc5)ccc34)C2)cc1 306135475 OSANOHKVVPIIJD-DEOSSOPVSA-N 430.508 3.987 0 40 IHAB COc1ccc(S(=O)(=O)NCc2ccc(C)cc2)cc1NC(=O)c1ccccc1F 408551637 LRBPPTBJCMHTOR-UHFFFAOYSA-N 428.485 3.874 0 40 IHAB Cc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OCC(=O)NC1CCCCC1 408561141 GUYWRBFSPYYWST-UHFFFAOYSA-N 428.554 3.574 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCC2)Cc2ccccc2)cc1 408620212 KRBGXQJACCPKOV-UHFFFAOYSA-N 430.570 3.725 0 40 IHAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(Cl)cc2)CC1=O 408643717 CIQBNGFKLNPTHK-LBPRGKRZSA-N 437.279 3.537 0 40 IHAB Cc1ccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3ccccc3Cl)n2C)cc1 409328768 AOAAOTQRMNSTRO-CQSZACIVSA-N 443.960 3.999 0 40 IHAB CN1c2ccccc2N(C2CCN(C(=O)c3cc(Cl)sc3Cl)CC2)S1(=O)=O 575414198 NZCOBHKELHELMN-UHFFFAOYSA-N 446.381 3.861 0 40 IHAB COc1ccc(CCN2C(=O)C[C@H]3[C@H](CNC(=O)c4c(F)cccc4F)[C@@H](C)C[C@H]32)cc1 1775964416 QQCCYZLHVJDFSH-FTFYGEEPSA-N 442.506 3.819 0 40 IHAB biogenic,in-vitro CCOc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)c3cccs3)n2)cc1 797091 PYMLELABQHUYOZ-UHFFFAOYSA-N 448.508 3.691 0 40 IHAB aggregator COC(=O)c1c(NC(=O)c2ccc3c(c2)OCO3)sc(C(=O)NC2CCCCC2)c1C 871489 ZCWGRMAZJCBPFM-UHFFFAOYSA-N 444.509 3.887 0 40 IHAB COc1ccc(CCN(Cc2nc3ccccc3c(=O)[nH]2)C(=O)c2ccc(F)cc2)cc1 1359895 UKDUCCOWTORVBW-UHFFFAOYSA-N 431.467 3.956 0 40 IHAB COc1ccc(NC(=O)CN2CCC(n3c(C)nc4cc(F)ccc43)CC2)c(OC)c1 1380390 XASOAHOJKBTNMY-UHFFFAOYSA-N 426.492 3.777 0 40 IHAB COc1ccc(NC(=O)CN2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1 1383975 BJYIMQPZJLUZFU-MQSUGXTHSA-N 438.483 3.526 0 40 IHAB Cc1ccc(C)c(NC(=O)Cc2nc(COC(=O)[C@H]3COc4ccccc4O3)cs2)c1 2640750 TYUYHOYXUAKJJL-HXUWFJFHSA-N 438.505 3.824 0 40 IHAB CCCCOc1ccc([C@H]2C(C(=O)Nc3ccccc3OC)=C(C)Nc3nnnn32)cc1 4291110 IKVRFFSTILNCAW-NRFANRHFSA-N 434.500 3.788 0 40 IHAB CCCCn1c(SCC(=O)c2ccc(OCC)cc2)nc2cc(S(N)(=O)=O)ccc21 6153567 ARPHYQWAPFMEEP-UHFFFAOYSA-N 447.582 3.858 0 40 IHAB COc1cc(CN(C(=O)c2ccccc2OC)C2CCCCC2)ccc1OCC(N)=O 8169079 HKKPPJCTFYGFIX-UHFFFAOYSA-N 426.513 3.543 0 40 IHAB COc1cccc(NC(=O)Cn2c(=O)n(-c3ccccc3)c(=O)c3oc4ccccc4c32)c1 8683827 NLOGOWPWRSVTQS-UHFFFAOYSA-N 441.443 3.546 0 40 IHAB O=C(c1ccccc1-n1cnnn1)N(C/C=C/c1ccccc1)c1ccc2c(c1)OCCO2 8824508 SLDKJFVZVPPQQK-RMKNXTFCSA-N 439.475 3.794 0 40 IHAB Cc1cc(NC(=O)Cc2ccccc2)n(-c2ncnc3c2cnn3-c2ccc(F)cc2)n1 9661229 XXAHBLHIZIOQKT-UHFFFAOYSA-N 427.443 3.630 0 40 IHAB O=C(CN1CCN(c2cc(-c3nc4ccccc4s3)c3ccccc3n2)CC1)NC1CC1 9812658 WGWNRNWQDOTKAP-UHFFFAOYSA-N 443.576 3.912 0 40 IHAB CCOC(=O)c1cc(NC(=O)c2cccc(Br)c2)ccc1N1CCOCC1 9907797 GWTMZQAFGMHODW-UHFFFAOYSA-N 433.302 3.715 0 40 IHAB Cn1c(=O)[nH]c(=O)c2c1nc(Sc1nc3ccccc3s1)n2CCCc1ccccc1 9969564 DWXHHYFLKDQRHH-UHFFFAOYSA-N 449.561 3.817 0 40 IHAB CCOc1ccc(NC(=O)Cn2nc(-c3cccc(Br)c3)ccc2=O)cc1 10131723 RKQWHJJYOFMIRF-UHFFFAOYSA-N 428.286 3.710 0 40 IHAB COC(=O)c1ccc(C)c(NC(=O)CCCN(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 10329581 HJSORYJGWIJLSZ-UHFFFAOYSA-N 432.542 3.583 0 40 IHAB COc1ccc(Cc2nnc(SCC(=O)Nc3c(Cl)cccc3Cl)n2N)cc1 10921740 MEBHMONSILDAOR-UHFFFAOYSA-N 438.340 3.629 0 40 IHAB O=C(c1ccc(F)cc1)N1CCC[C@@H](c2nc(N3CCOCC3)ncc2-c2cccnc2)C1 12089364 BYATWWUZZQTGNC-HXUWFJFHSA-N 447.514 3.534 0 40 IHAB CCn1c(CN2CCCCCC2=O)nnc1S[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C 12125137 TZVDRCWMPCSWJI-SJORKVTESA-N 441.601 3.659 0 40 IHAB CCN(CC)C(=O)[C@@H]1CC[C@](C)(C(=O)N2CCC[C@@H](c3n[nH]c4ncccc34)C2)C1(C)C 12221207 GJPVZCYTZLCUST-VDABOFBKSA-N 439.604 3.975 0 40 IHAB COc1ccc(CC(=O)N[C@@H](Cc2ccccc2)c2nn(C)c3ncccc23)cc1OC 12236039 FBFSKHRBZJUGFF-FQEVSTJZSA-N 430.508 3.628 0 40 IHAB COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CCCC4)CC(=O)N32)cc1 12360848 SDAVSHBEXSOEJO-DHLKQENFSA-N 429.520 3.804 0 40 IHAB biogenic Cc1cc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)ccc1Br 12639013 FCFUKXCEVMMYSA-GOSISDBHSA-N 437.359 3.939 0 40 IHAB O=C(c1ccco1)N1CCN(CC(=O)N2c3ccccc3SC[C@H]2c2ccccc2)CC1 12737859 WOZDMQZFWXJBHQ-NRFANRHFSA-N 447.560 3.918 0 40 IHAB CCn1c(C)cc(C(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)c1C 12795292 MAJXLTCGAIPSHS-UHFFFAOYSA-N 444.384 3.578 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(c3nc(-c4cccnc4)nc4ccccc34)CC2)cc1 13096833 VAZORWJPDVEPEX-UHFFFAOYSA-N 445.548 3.511 0 40 IHAB CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCCOc1ccccc1Cl 13163443 QXLJDYXEYIUZEH-SFHVURJKSA-N 446.352 3.919 0 40 IHAB O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1Cl)N1CCCCCC1 13843091 QFZCVIQWPAMTCK-UHFFFAOYSA-N 448.972 3.873 0 40 IHAB COc1cccc(-n2ccnc2SCc2nc(N)nc(Nc3ccccc3OC)n2)c1 16660987 BHZZLIPOFXDMLJ-UHFFFAOYSA-N 435.513 3.693 0 40 IHAB Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2Cc3ccccc3CN2)c(C)c1 17056858 LTPSFSITJKQBID-JWQCQUIFSA-N 427.548 3.684 0 40 IHAB CN(C)C(=O)[C@@H](OC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccccc1 17480916 CROLHEFJHSDTOR-IBGZPJMESA-N 444.534 3.535 0 40 IHAB COc1ccc(N(CCC(=O)Nc2ccncc2)S(=O)(=O)c2ccc(C)c(C)c2)cc1 17583523 JDSBMDQAIHVSGP-UHFFFAOYSA-N 439.537 3.931 0 40 IHAB Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)c3ccc(N4CCOCC4)c(C)c3)CC1)O2 19218278 VIUVDKMEHDHGIQ-UHFFFAOYSA-N 434.536 3.780 0 40 IHAB CC(C)c1cc(C(=O)NC2CCN(c3ncc(-c4ccncc4)c(C(C)C)n3)CC2)n(C)n1 19452271 DKILSNYMWSWMOG-UHFFFAOYSA-N 447.587 3.918 0 40 IHAB CCc1onc(C)c1C(=O)N1CCC([C@@H]2C[C@H](C(F)(F)F)n3nc(C)cc3N2)CC1 19521091 NVDULDBJGYVFGU-GOEBONIOSA-N 425.455 3.890 0 40 IHAB CCc1nnsc1C(=O)N1CC[C@](Cc2ccc(-c3cccs3)cc2)(C(=O)NC)C1 19521838 PEJSIAGUXLDJBZ-JOCHJYFZSA-N 440.594 3.650 0 40 IHAB CC(=O)Nc1ccc(Oc2cc(C)nc([C@H]3CCCN(C(=O)c4ccn(C)n4)C3)c2)cc1 19570315 QHFHTXPHNJIHBL-SFHVURJKSA-N 433.512 3.894 0 40 IHAB COc1cc(CN(C)Cc2nc(N3CCCC3)ncc2-c2ccncc2)cc(OC)c1OC 19586388 BHGKXLODXMBSQO-UHFFFAOYSA-N 449.555 3.797 0 40 IHAB COc1ccc(NC(=O)[C@H]2C[C@H](C3CCN(Cc4cccc(OC)c4)CC3)N(C)C2)cc1 19587705 FUEYDAISFXSBBV-SQJMNOBHSA-N 437.584 3.875 0 40 IHAB COc1ccc(Br)cc1/C=C/C(=O)NC(=S)Nc1cccc(C(=O)O)c1C 19648538 RMKVOZVJVAMMFZ-RMKNXTFCSA-N 449.326 3.991 0 40 IHAB COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2F)cc1C 20008733 QBJJYBHBVCFXAD-OAQYLSRUSA-N 442.512 3.671 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccccc1C(=O)NC(C)(C)C 20061475 OZMCKXOAJSASMS-UHFFFAOYSA-N 443.569 3.560 0 40 IHAB O=C(c1cn(Cc2ccccc2)nc1-c1cccnc1)N1CCN(Cc2ccccc2)CC1 20892992 ZQDDCPLCWTWBRB-UHFFFAOYSA-N 437.547 3.951 0 40 IHAB CCc1ccc(Cn2nccc2NC(=O)CCCN(C)S(=O)(=O)c2cccs2)cc1 22281450 SEASPCHHPRBHCP-UHFFFAOYSA-N 446.598 3.595 0 40 IHAB CC(C)(C)c1cc(NC(=O)c2ccccc2Br)n([C@H]2CCS(=O)(=O)C2)n1 24969525 LHDKSRTVLMDKMY-LBPRGKRZSA-N 440.363 3.555 0 40 IHAB O=C(Nc1cccc(NC(=O)c2sccc2S(=O)(=O)N2CCCC2)c1)c1ccco1 25325508 MYSMKUMVYJCWCH-UHFFFAOYSA-N 445.522 3.630 0 40 IHAB COc1ccc(CCN(C)c2ccc(S(=O)(=O)N(C(C)C)C(C)C)cn2)cc1OC 25748844 PEMSLEWIVGVMJB-UHFFFAOYSA-N 435.590 3.585 0 40 IHAB O=C(OCC(=O)N1CCC(Cc2ccccc2)CC1)c1ccc(OC[C@@H]2CCCO2)cc1 28609774 DKVAPPOJMMUESB-DEOSSOPVSA-N 437.536 3.883 0 40 IHAB CC(C)[C@@H](NC(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C)c1cccs1 29788876 OSBKWEMRUUZUNG-FYYLOGMGSA-N 425.554 3.951 0 40 IHAB O=C(N[C@@H]1CCCc2ccccc21)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 30865804 UCOJLOLKAIHBSZ-QPPBQGQZSA-N 448.544 3.837 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CC=C(c4ccccc4)CC3)C2)s1 30997076 GLQXULDPJBUYMA-FQEVSTJZSA-N 430.595 3.773 0 40 IHAB COc1ccc(OC)c([C@H]2CCCN2C(=O)C2CCN(C(=O)c3cccs3)CC2)c1 32741077 SFWVWAHAANNIMA-LJQANCHMSA-N 428.554 3.981 0 40 IHAB C[C@@H](Sc1nnc(-c2ccco2)n1CCC(N)=O)C(=O)C12CC3CC(CC(C3)C1)C2 32902101 ROVLQJCFRWLPJA-ZHHULCEESA-N 428.558 3.680 0 40 IHAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)N1CCN(C[C@@H]2CCCO2)CC1 32987913 LKQIWVUAQCDHGQ-NEQMZLFVSA-N 448.592 3.937 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)Nc2c(C)cc(C)cc2C)CC1 33741243 GMJKARVSVCTORU-UHFFFAOYSA-N 430.570 3.968 0 40 IHAB Cc1ccc(C(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)cc1-n1nnnc1C 35322779 FJCFABMFVUQQDF-UHFFFAOYSA-N 425.905 3.627 0 40 IHAB O=C1CSc2sc3c(=O)n(C[C@@H](c4cccs4)N4CCCCC4)cnc3c2N1 35671615 DZXCCMKINDNGGH-LBPRGKRZSA-N 432.596 3.791 0 40 IHAB CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)NCc2ccc(-n3cncn3)cc2)cs1 36393077 MLQVRHPWRCFDAK-FMIVXFBMSA-N 444.520 3.738 0 40 IHAB COc1ccc(-c2nnc(NC(=O)c3ccccc3NC(=O)c3ccccc3O)o2)cc1 39767406 DNORWIJAILXENY-UHFFFAOYSA-N 430.420 3.955 0 40 IHAB Cc1ccc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCN(C)CC3)o2)cc1 39844233 ILRPRKWPRBUJQC-UHFFFAOYSA-N 431.945 3.888 0 40 IHAB COc1cc2c(cc1OC)CN(C(=O)CSc1nnc(-c3sc(C)nc3C)o1)CC2 40050101 JSKOWELJQRUEPY-UHFFFAOYSA-N 446.554 3.504 0 40 IHAB Cc1ccc(C2=NN(C(=O)CN3CCC(c4nc(C)no4)CC3)[C@@H](c3ccco3)C2)cc1 40156394 BUSAATUOIXPLLJ-OAQYLSRUSA-N 433.512 3.837 0 40 IHAB Cc1ccc(OCc2cc(=O)n3c(ncn3C(C)C)n2)c(NC(=O)c2ccccc2C)c1 41089802 NJEXEPWGWPCSFE-UHFFFAOYSA-N 431.496 3.920 0 40 IHAB COc1ccc(C)cc1NC(=O)C(=O)NCC1CCN(Cc2ccccc2SC)CC1 43942565 DCVBMRTYOIXGBS-UHFFFAOYSA-N 441.597 3.692 0 40 IHAB C[C@H]1CN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(F)cc3)c2)[C@H](C)CO1 58703177 YNIRCSWYXWRPTD-OLZOCXBDSA-N 426.897 3.529 0 40 IHAB Cc1c(C(=O)NC2CCC(C)CC2)nnn1-c1cccc2c1CCN(Cc1ccccn1)C2 69950800 JXAWKWBLGYNPJW-UHFFFAOYSA-N 444.583 3.838 0 40 IHAB CC(=O)Nc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)COc3ccccc3)C2)c1 72358677 MTEIVMLUQGXMIJ-HXUWFJFHSA-N 430.508 3.887 0 40 IHAB O=C(c1ccccc1)N1CCC(c2nn(CCOc3ccccc3)c3nccnc23)CC1 72395854 ZFGSHRANZZKEBT-UHFFFAOYSA-N 427.508 3.925 0 40 IHAB O=C(Nc1nc2c(s1)CN(S(=O)(=O)C1CC1)CC2)C1(c2cccs2)CCCC1 77154883 KMFRQLQIVVPYDF-UHFFFAOYSA-N 437.612 3.505 0 40 IHAB CCCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)/C=C/c3ccc(C)cc3)ccc21 77200721 WSJNRHJIGAMQDQ-NTCAYCPXSA-N 434.583 3.900 0 40 IHAB CCOC(=O)c1ccc(OC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)cc1 89984860 YHLXFCAFGXCTOX-UHFFFAOYSA-N 439.489 3.908 0 40 IHAB CC(C)(C)[C@@H](NCc1csc(COc2ccccc2)n1)c1nc(-c2nc[nH]n2)no1 95432574 PYXBROMJUONURA-INIZCTEOSA-N 425.518 3.767 0 40 IHAB COc1cc([C@H](c2c(O)n[nH]c2C)c2c(C)n[nH]c2O)ccc1OC(=O)c1cccs1 96193566 LXXGPYPAZSBMTD-UHFFFAOYSA-N 440.481 3.630 0 40 IHAB CCNS(=O)(=O)c1ccc(NC(=O)[C@H](Sc2nnc(C)s2)c2ccccc2)cc1 98087222 QMOIRHXNYJDLGR-QGZVFWFLSA-N 448.595 3.617 0 40 IHAB CCOC(=O)[C@H]1[C@@H]2NC(=S)N(c3ccc(F)cc3)[C@]1(C)Oc1c(OCC)cccc12 100029685 UKBLHBSJXGUZNM-JBYIUTFZSA-N 430.501 3.948 0 40 IHAB O=C1N[C@H](c2cccc(Br)c2)[C@@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1 102135362 FXQFDOMPUROYRM-YWPYICTPSA-N 449.248 3.615 0 40 IHAB O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1nn(Cc2ccc(Cl)cc2)cc1Br 103160217 YNNLIBKIVHOOEB-YXAMBPQSSA-N 432.705 3.659 0 40 IHAB O=C(CCn1cnc2ccccc2c1=O)N1CCS[C@@H](c2cc(F)ccc2F)CC1 219310702 YEYDDNLVQOFSJF-HXUWFJFHSA-N 429.492 3.772 0 40 IHAB CCCOc1ccc(N(CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)S(C)(=O)=O)cc1 222962193 CBHJZZIYWIWASO-SFHVURJKSA-N 444.597 3.998 0 40 IHAB COC(=O)c1cc2cc(NC(=O)c3ccc4c(c3)CCCN4S(C)(=O)=O)ccc2s1 223066292 CGWKHQNGGXBNIN-UHFFFAOYSA-N 444.534 3.652 0 40 IHAB CNC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)ccc1OC 223326368 ATWLHPFVYZIUBM-HNNXBMFYSA-N 434.558 3.535 0 40 IHAB CCc1ccc(NC(=O)c2cnc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)nc2)cc1 223388467 DFURSMRPHNSUBA-UHFFFAOYSA-N 444.944 3.765 0 40 IHAB CN(c1ccccc1F)S(=O)(=O)c1cccc(C(=O)NCCSCc2ccco2)c1 224155744 DWCYNBYPTJBHKU-UHFFFAOYSA-N 448.541 3.907 0 40 IHAB CCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1cc(C)cc(C)c1C 224545493 PSFQSFCBAHLUSK-QFIPXVFZSA-N 426.557 3.943 0 40 IHAB COc1ccccc1[C@H](C)NC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1C 225225276 DYHGMQJZDNIOOB-SFHVURJKSA-N 430.570 3.915 0 40 IHAB COc1cc(CN2CCC(NC(=S)Nc3ccc(F)cc3)CC2)cc(OC)c1OC 225227927 NDFFBYCPKJLYOD-UHFFFAOYSA-N 433.549 3.803 0 40 IHAB Cc1cccc(CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)c1 225546909 WNTOHAWGXLDHMP-LJQANCHMSA-N 434.989 3.798 0 40 IHAB COc1ccc2c(c1)[C@H](NC(=S)Nc1cccc(N(C)S(C)(=O)=O)c1)CC(C)(C)O2 225682755 KGYTWEFUDZYKQZ-GOSISDBHSA-N 449.598 3.680 0 40 IHAB C[C@H]1CCCN(c2cc(Oc3ccccc3)nc(NC(=S)NC[C@@H]3CCCO3)n2)C1 225908502 OMYUXQFWZQPFAV-WMZOPIPTSA-N 427.574 3.971 0 40 IHAB CCn1ncc(S(=O)(=O)N2[C@H]3CC[C@@H](C3)[C@H]2COc2cccc(C(F)(F)F)c2)c1C 253478140 JKCFMHKYXRRNTE-QILLFSRXSA-N 443.491 3.851 0 40 IHAB COc1cccc([C@@H]2CN(C(=O)CN3CC[C@@H]4CCCC[C@H]4C3)C[C@H]2c2csnn2)c1 257215958 CSKWEIGZPNEZTK-XODARUQUSA-N 440.613 3.768 0 40 IHAB CC(=O)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)CCC3)CC1 257220859 DMLVHTYHCJNAEE-OHSXHVKISA-N 434.580 3.625 0 40 IHAB CC(C)(C)OC(=O)N1[C@@H](CNC(=O)CCOc2ccccc2)C[C@@]2(C)[C@@H](O)CCCC[C@@H]12 257318202 VMXUOONEIWXACL-MASGSYHESA-N 446.588 3.891 0 40 IHAB COCCN1CC[C@]2(CN(Cc3ccc(Cl)cc3)C[C@H]2c2cn(C(C)C)cn2)C1=O 306125217 CJQSKGUPFAVBAU-NZQKXSOJSA-N 430.980 3.582 0 40 IHAB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3cccs3)C(=O)c3ccccc3Cl)C(=O)[C@@H]2C1 408647558 JLTDXUGYTVWSIG-GDBMZVCRSA-N 442.924 3.983 0 40 IHAB CC(=O)Nc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cc(Cl)ccc2C)cc1 408661128 DIOBNJPITWJFQG-UHFFFAOYSA-N 431.876 3.507 0 40 IHAB CCOc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Br)cc2)cc1 408666340 YRTPIQPJGLUWGD-UHFFFAOYSA-N 449.301 3.748 0 40 IHAB CC(C)[C@@H](NC(=O)c1cn(Cc2ccccc2)c2ccccc12)c1nc(-c2nc[nH]n2)no1 502116486 XVMWPUFCLFDTHU-HXUWFJFHSA-N 441.495 3.985 0 40 IHAB C[C@H]1CN(C(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)c2ccccc2O1 521111999 ZEIYNFWGCRLGRA-SFHVURJKSA-N 448.544 3.861 0 40 IHAB O=C(NCc1cccnc1)[C@@H]1OC2(CCN(C(=O)c3cccc(F)c3)CC2)c2ccccc21 585109830 YHEMCWAOKTVMPS-HSZRJFAPSA-N 445.494 3.740 0 40 IHAB CCN1CCN(C(=O)Cc2ccc(OC)cc2)[C@H](Cc2cccc(-c3ccncc3)c2)C1=O 585169001 JBPCFKSZUZHZNF-RUZDIDTESA-N 443.547 3.602 0 40 IHAB CCn1cc(C(=O)N2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@H]32)c(=O)c2ccc(C)nc21 604403921 DOQURURDRCHPEJ-TYJFDUFHSA-N 446.595 3.760 0 40 IHAB CC(C)n1ccnc1CN1CC[C@@H]2NC(=O)COc3ccc(F)cc3CCCC[C@@H]2C1 2037988762 HJBHEJVSXBOWJK-CTNGQTDRSA-N 428.552 3.715 0 40 IHAB Cc1cc(C)nc(SCc2nnc(SCC(=O)Nc3cccc(Cl)c3)n2C)n1 650813 VBHWETBXTCPGEC-UHFFFAOYSA-N 434.978 3.898 0 40 IHAB COc1ccccc1NC(=O)Cn1cnc2sc(C(=O)Nc3ccccc3)c(C)c2c1=O 812753 PYXNIQRZUARJFD-UHFFFAOYSA-N 448.504 3.666 0 40 IHAB CCOC(=O)c1c(NC(=O)NS(=O)(=O)c2ccccc2Cl)sc2c1CCCC2 1510042 GAWKFTDVFJGIRH-UHFFFAOYSA-N 442.946 3.967 0 40 IHAB CCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2ccc(OCC)c(OC)c2)C1=O 2119946 SOZPWJVLFFYVJS-CPJSRVTESA-N 447.535 3.670 0 40 IHAB biogenic CCCCN1C(=O)c2cccc3c(S(=O)(=O)NC4(C(=O)O)CCCCC4)ccc1c23 2889407 IHCBVEAHDYNHGN-UHFFFAOYSA-N 430.526 3.666 0 40 IHAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccccc1Cc1ccccc1 3391989 RPCXTBTYAZYHEC-DEOSSOPVSA-N 434.561 3.993 0 40 IHAB CCOc1ccc2[nH]c(=O)c(CN(C(=S)NCCCN(C)C)C3CCCCC3)cc2c1 6196567 KYQNIFNCGNVGAB-UHFFFAOYSA-N 444.645 3.888 0 40 IHAB CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)Nc2ccc3c(c2)CCC3)c1 6822565 CRHCZOKSDSPKSN-UHFFFAOYSA-N 427.570 3.668 0 40 IHAB CCn1c(COc2ccc3c(c2)CCCC3)nnc1SCC(=O)Nc1nnc(C)s1 6878504 NKVYIIIYNHARRR-UHFFFAOYSA-N 444.586 3.647 0 40 IHAB O=C(Nc1ccccc1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(CSc2ccccc2)nn1 8299281 CIDXFSXEGGHAEG-AAIMPIBUSA-N 433.581 3.920 0 40 IHAB biogenic,in-vitro O=C(Nc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1F)c1ccccc1F 8810739 BIQNVWUZVGMDNO-UHFFFAOYSA-N 428.460 3.964 0 40 IHAB Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccco3)C(=S)NC[C@@H]3CCCO3)cc2c1 8829218 NGKSORYRQGHIND-IBGZPJMESA-N 425.554 3.794 0 40 IHAB O=S(=O)(c1ccccc1)c1nnn2c1nc(NCCc1ccccc1)c1sccc12 9116898 VLTFRYSRVOIUMS-UHFFFAOYSA-N 435.534 3.826 0 40 IHAB CCCc1nnc2n1N[C@@H](c1ccc(F)cc1)[C@H](C(=O)Nc1cccc(OC)c1)S2 9239226 LKDRSZWOVUMVKH-RBUKOAKNSA-N 427.505 3.776 0 40 IHAB CCc1ccc(NC(=O)CSc2nc3nccnc3c(=O)n2Cc2ccccc2)cc1 9405102 OPPQSAADSULOBS-UHFFFAOYSA-N 431.521 3.528 0 40 IHAB O=S(=O)(c1ccc(SCc2cc(Cl)c3c(c2)OCCO3)nc1)N1CCCC1 9468755 XZLANMSFWIEAPY-UHFFFAOYSA-N 426.947 3.583 0 40 IHAB Cc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCC2)o1 9471068 VCTQEQSVULAIFO-UHFFFAOYSA-N 445.585 3.635 0 40 IHAB COC(=O)CCNC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12 9509655 NYQRASDDBBFTNT-UHFFFAOYSA-N 442.899 3.522 0 40 IHAB CCNC(=O)NC(=O)[C@H](C)Sc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 9632217 ITLHXZRYVSHROT-ZDUSSCGKSA-N 429.933 3.914 0 40 IHAB COc1ccc(Br)cc1Cn1nnc(C(=O)Nc2ccc(Cl)cc2)c1N 9749102 UJWJWXHRSWMCIV-UHFFFAOYSA-N 436.697 3.585 0 40 IHAB Cc1nc(-n2nc(-c3cccs3)cc2NC(=O)c2c(F)cccc2F)[nH]c(=O)c1C 11854919 XJZVNOZRMHMABP-UHFFFAOYSA-N 427.436 3.831 0 40 IHAB Cc1noc(-c2ccccc2OCC(=O)N2CCC[C@@H](c3nc4ccccc4cc3N)C2)n1 12088061 LDNPEHUFJGISFP-GOSISDBHSA-N 443.507 3.960 0 40 IHAB Cn1nc(C(C)(C)C)cc1C(=O)N1CCC[C@@H](c2nc3ccc(F)cc3cc2C(N)=O)C1 12219896 BENHREXVRUTHGW-CQSZACIVSA-N 437.519 3.524 0 40 IHAB COc1ccc(NC(=O)c2cc(-c3ccccn3)c(N3CCOCC3)s2)c(OC)c1 12222592 FJHXETAKNAABBP-UHFFFAOYSA-N 425.510 3.916 0 40 IHAB Cc1nn([C@@H](C)CC(=O)N2CCC[C@H](c3nc4ccccc4cc3C(N)=O)C2)c(C)c1C 12255848 UZMZFTIXSPGAAO-YWZLYKJASA-N 433.556 3.813 0 40 IHAB Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1C(=O)N1CCC2(CC1)OCCO2 12409017 WCAJFUSUNHWXFJ-UHFFFAOYSA-N 428.432 3.996 0 40 IHAB Cc1ccc(C(C)C)c(OC[C@H](O)Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)c1 12753165 PNHGZIDUOSMTKG-LJQANCHMSA-N 436.487 3.593 0 40 IHAB CCOC(=O)c1ccc(N2C(=O)N3CCc4c([nH]c5ccc(OC)cc45)[C@@]3(C)C2=O)cc1 12864698 WJQSKLUGRYZHBB-DEOSSOPVSA-N 433.464 3.593 0 40 IHAB biogenic Cc1cc(C(=O)NCCOc2ccc3ccccc3c2)cc(S(=O)(=O)N(C)C)c1C 12931211 KRRAAMLSOHLXKG-UHFFFAOYSA-N 426.538 3.516 0 40 IHAB C[C@@H]1Cc2cc(C(=O)N(C)Cc3cccc(Cl)c3Cl)ccc2N1S(C)(=O)=O 12973220 DAOXEHGLIUJEMF-GFCCVEGCSA-N 427.353 3.976 0 40 IHAB O=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)c1cccc(C(F)(F)F)c1 12993744 RZTLFGFBALGDGO-UHFFFAOYSA-N 426.460 3.810 0 40 IHAB COC(=O)CCNS(=O)(=O)c1ccc(NC(=O)c2ccc(C3CCCCC3)cc2)cc1 13000205 JQOABVHCKFQKRB-UHFFFAOYSA-N 444.553 3.828 0 40 IHAB CCNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCCS3 13002270 HRUAUPBUPJGIPN-UHFFFAOYSA-N 447.607 3.722 0 40 IHAB C[C@@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccco1)C(=O)NC(N)=O 13146374 KPESRGDUPFOVCV-SECBINFHSA-N 440.312 3.569 0 40 IHAB COc1cc(C(=O)OCc2cc(=O)oc3cc(NC(C)=O)ccc23)cc(Cl)c1OC 13149192 QIMUGVBBJUPOLU-UHFFFAOYSA-N 431.828 3.779 0 40 IHAB CCCc1cc(=O)oc2cc(OCC(=O)NC3CCN(Cc4ccccc4)CC3)ccc12 13555774 YDKBJUPATBRYEC-UHFFFAOYSA-N 434.536 3.905 0 40 IHAB COc1ccc(-c2nsc3c(SCC(=O)Nc4nnc(C)s4)ncnc23)cc1 13561709 ZTCCVUIBJWNJED-UHFFFAOYSA-N 430.540 3.653 0 40 IHAB Cn1c(COc2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1nccs1 13844331 UPUYQVQOBAHWIM-UHFFFAOYSA-N 430.342 3.888 0 40 IHAB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Oc2ccc(Cl)c3ccccc23)cc1 14739873 VVBOAIBDTZVSBM-UHFFFAOYSA-N 446.912 3.678 0 40 IHAB Cc1nc2ncccc2c(=O)n1-c1ccc(NC(=O)c2ccc(Br)o2)cc1 15390626 XAFXHMWHSOOFGU-UHFFFAOYSA-N 425.242 3.697 0 40 IHAB C[C@H](C(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CCN(C2CCCCC2)C3)C1)c1ccccc1 19459020 DSVBFHRNFXXDHL-AZUAARDMSA-N 434.584 3.580 0 40 IHAB C[C@@H](NC(=O)CN1N=C(c2ccccc2)Cn2c(cc3ccccc32)C1=O)c1ccncc1 19459743 DTKVKGZWRJMGGH-GOSISDBHSA-N 437.503 3.774 0 40 IHAB CCCOc1ccc(C(=O)NC(=S)Nc2ccc(NC(=S)NC(=O)CC)cc2)cc1 19641613 UDPBABMSNULTCG-UHFFFAOYSA-N 444.582 3.825 0 40 IHAB NC(=O)c1sc2ncccc2c1[C@H]1CCN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)C1 19702253 HOIHLVZFXHDSNG-ZDUSSCGKSA-N 435.484 3.554 0 40 IHAB COc1ccc(NC(=O)c2cnc([C@@H]3CCN(C(=O)Cc4cccc(C)c4)C3)nc2C)cc1 19766228 ICPJPYCRAKFDRM-HXUWFJFHSA-N 444.535 3.913 0 40 IHAB NC(=O)CCN1CCN(CCO[C@@H]2Cc3cc(Cl)ccc3Sc3ccccc32)CC1 19801921 RRMSMKQFFNOZRL-HXUWFJFHSA-N 446.016 3.598 0 40 IHAB O=C(N[C@@H]1CCCc2ccccc21)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 21523371 RQJJAKMMXJZCKL-DYESRHJHSA-N 432.973 3.935 0 40 IHAB CCOC(=O)c1ccc(N(Cc2ccncc2)C(=S)NC(=O)c2cccc(OC)c2)cc1 22528301 HBDGLNZAKKPTHT-UHFFFAOYSA-N 449.532 3.988 0 40 IHAB CSc1ccc([C@H](c2c(O)cc(C)n(Cc3ccco3)c2=O)N2CCN(C)CC2)cc1 22698283 QLTRRWWFOBDVED-HSZRJFAPSA-N 439.581 3.562 0 40 IHAB C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)Cn1cnc2ccccc2c1=O 24503339 RHECXCCMBKZYEH-GOSISDBHSA-N 440.503 3.868 0 40 IHAB C/C=C/c1ccc(OC[C@H](O)CN2C(=O)N/C(=C\c3c[nH]c4ccccc34)C2=O)c(OC)c1 24832498 HXLJCUZJKVQOBQ-QHAVIQQMSA-N 447.491 3.542 0 40 IHAB C[C@H](OC(=O)CCn1c(=O)oc2cc(Cl)ccc21)C(=O)N1CCCc2ccccc21 26413477 INEAKKJVABQGSU-AWEZNQCLSA-N 428.872 3.549 0 40 IHAB C[C@@H]1c2cccn2CCN1CC(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 26474222 CONPMDMFPOWUBV-CYBMUJFWSA-N 442.869 3.634 0 40 IHAB O=C([C@@H]1CCCN(c2cnccn2)C1)N1CCN(Cc2ccc(-c3ccccc3)s2)CC1 29962670 RCIMJMYXNVPFON-OAQYLSRUSA-N 447.608 3.766 0 40 IHAB O=C(Nc1cccc(-n2cc[nH]c2=S)c1)c1cccc(S(=O)(=O)N2CCCCC2)c1 31564266 NXOBRXHTHGDHDH-UHFFFAOYSA-N 442.566 3.962 0 40 IHAB CC(=O)c1cc(C)ccc1OC(=O)c1nc(S(=O)(=O)Cc2ccccc2)ncc1Cl 32624154 CBIRPDPXXZLPAS-UHFFFAOYSA-N 444.896 3.834 0 40 IHAB O=S1(=O)C[C@@H]2N=C(SCc3ccc(Cl)cc3)N(c3ccc(F)cc3F)[C@H]2C1 32639691 BSNBFSHRGXFMEM-RDJZCZTQSA-N 428.913 3.893 0 40 IHAB Cc1cc(-c2cc(C(=O)N[C@H](C)CN3CCOCC3)c3cnn(C(C)C)c3n2)c(C)s1 32931460 CRCNZHGPFMPRLG-OAHLLOKOSA-N 441.601 3.808 0 40 IHAB CCc1ccc2[nH]c3nc(SCC(=O)Nc4ccc(C(=O)NC5CC5)cc4)nnc3c2c1 35312599 VNQZPGGIGWATLX-UHFFFAOYSA-N 446.536 3.692 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1nc(-c2ccncc2)cs1 35363338 GJUSLCYKYVBCTC-UHFFFAOYSA-N 442.566 3.940 0 40 IHAB CCc1ccccc1OCC(=O)Nc1ccc(OCc2cc(=O)n3oc(C)cc3n2)cc1 35378605 DMBVTCLXHSXMAI-UHFFFAOYSA-N 433.464 3.755 0 40 IHAB COc1cccc(-c2cc(C(=O)Nc3ccc4c(c3)OCCO4)c3c(C)nn(C)c3n2)c1 36616752 YTXNUEUPHJNGNU-UHFFFAOYSA-N 430.464 3.976 0 40 IHAB O=C(CCn1c2c(sc1=O)[C@H]1c3ccccc3OC[C@@H]1CS2)Nc1ccc(O)cc1 36633792 VYMFJTSLHTXXQL-BFUOFWGJSA-N 440.546 3.890 0 40 IHAB COc1ccc2c(c1)CCc1cc(C(=O)Nc3ccc(C)c(S(N)(=O)=O)c3)sc1-2 39975825 UPXRPUVFLLXKME-UHFFFAOYSA-N 428.535 3.730 0 40 IHAB Cc1cc(C)cc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccc(Cl)cc4)[nH]c(=O)c32)c1 40399262 NGKGJZLYQJWIJL-INIZCTEOSA-N 437.887 3.848 0 40 IHAB CC[C@@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1)c1ccc(C)c(C)c1 44856580 VTKDZXCPJCFAPT-XLIONFOSSA-N 436.961 3.751 0 40 IHAB Cc1nc2cc(C(=O)N3C[C@H](C(=O)N(C)C)Oc4ccccc43)ccc2n1-c1ccccc1 48249566 TZMKETINOKOKBB-XMMPIXPASA-N 440.503 3.830 0 40 IHAB CCOc1ccc(-n2c(SCC(=O)Nc3cc(C)ccc3C)nc3[nH]ncc3c2=O)cc1 51316442 GVGYRZQFGMYITK-UHFFFAOYSA-N 449.536 3.855 0 40 IHAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCCC(C)C)Oc3ccc(Cl)cc32)cc1 64986195 NAJPEVZSVQYVDT-FQEVSTJZSA-N 436.961 3.767 0 40 IHAB CC(C)(C)CC(=O)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccc(F)cc2)cc1 67896564 SBOMDJODQYOYSW-NFBKMPQASA-N 428.504 3.661 0 40 IHAB biogenic,in-vitro C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)c1nc2ccccc2n1C 72288896 IKYYCSWXQPEQTI-PDJHCBOPSA-N 434.584 3.958 0 40 IHAB CCCC(=O)N1CCC[C@@H]1c1cc2nc(C)c(CCC(=O)NC3CCCC3)c(C)n2n1 72351289 FVMPRMCHNAAKJT-OAQYLSRUSA-N 425.577 3.801 0 40 IHAB O=C(CN1CC[C@@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1)Nc1nccs1 72371253 IAWJJBFVDIVFOR-CQSZACIVSA-N 431.949 3.569 0 40 IHAB COc1ccc(NC(=O)[C@H](C)CS(=O)(=O)c2ccc(Br)cc2)cc1F 79069764 XZMQAQMSAIQWGE-LLVKDONJSA-N 430.295 3.645 0 40 IHAB O=C(CCN1C(=O)CC2(CCCC2)C1=O)NCCc1nc(-c2ccc(Cl)cc2)cs1 95476875 AENINRMCDVYHBW-UHFFFAOYSA-N 445.972 3.832 0 40 IHAB CC(C)OCCS(=O)(=O)N(Cc1ccccc1)C[C@H](O)c1ccccc1C(F)(F)F 96006740 NNABDLRWBHJCLP-FQEVSTJZSA-N 445.503 3.996 0 40 IHAB COc1cc(/C=C2/N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cc(Cl)c1OCC(N)=O 97995906 AVJWGSBVUOZMJB-LICLKQGHSA-N 442.899 3.855 0 40 IHAB O=C1C[C@H](N(Cc2ccc3c(c2)OCO3)C(=O)Nc2ccccc2)C(=O)N1c1ccccc1 100163372 MTRXJOSUCMIGAQ-FQEVSTJZSA-N 443.459 3.782 0 40 IHAB C[C@H](NC(=O)[C@H]1C[C@@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2O1)c1ccc2c(c1)OCCO2 100180854 ZMVIGPBFQIFGMS-GCXQOBBSSA-N 448.519 3.590 0 40 IHAB O=C(C1CC1)N1CCc2nc3cc([C@@H]4CCCCN4C[C@H]4CC=CCC4)nn3c(O)c2C1 100233920 KAROHKRSNGBZCA-JTSKRJEESA-N 435.572 3.613 0 40 IHAB CC(C)OC(=O)c1cc(NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)cc(C(=O)OC(C)C)c1 102204275 FJKZTTSZCFHTJP-LSOMNZGLSA-N 431.485 3.502 0 40 IHAB COc1ccccc1CCCNC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 220006278 VDCADJPOKPZVCP-UHFFFAOYSA-N 430.570 3.623 0 40 IHAB CC[C@H](C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)N(c1cccc(C)c1)S(C)(=O)=O 220520119 FJDOFVZVTFSSHE-WOJBJXKFSA-N 430.570 3.958 0 40 IHAB CCc1ccc(OCC(=O)N(Cc2cccc(OC)c2)[C@@H](CC)C(=O)NC(C)C)cc1 222837202 OXMANBVHNXNWLD-QHCPKHFHSA-N 426.557 3.968 0 40 IHAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(C)cc1 222876786 HCAXRLKTBAFUEV-VWLOTQADSA-N 430.548 3.932 0 40 IHAB CC[C@@H](NS(=O)(=O)c1cc(C(C)C)c(OC)cc1C)c1ccc(S(C)(=O)=O)cc1 222955766 QTOBICXNRYRLKC-LJQANCHMSA-N 439.599 3.960 0 40 IHAB CCCCOC(=O)c1ccc(NS(=O)(=O)c2cc3oc(=O)n(CC)c3cc2C)cc1 223358557 BTKWPYDKHBHCAX-UHFFFAOYSA-N 432.498 3.681 0 40 IHAB CCN(Cc1ccccc1)S(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1 223537419 LMNCNKBMIABNLN-UHFFFAOYSA-N 436.946 3.655 0 40 IHAB COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2nc(-c3ccc(C(C)C)cc3)no2)c1 223617186 FCONPNBKMYIKPS-UHFFFAOYSA-N 449.916 3.779 0 40 IHAB CC[C@@H](C(=O)NCCOc1ccccc1Cl)N(c1ccc(Cl)cc1)S(C)(=O)=O 224306415 HWXGRRKLUVAQDL-KRWDZBQOSA-N 445.368 3.733 0 40 IHAB CCOc1ccccc1N(CC(=O)OC)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224616548 QXOBZAXRDOUUCC-UHFFFAOYSA-N 448.324 3.769 0 40 IHAB C[C@H](CNC(=O)CCCN(c1ccc(F)c(Cl)c1)S(C)(=O)=O)c1ccccc1 224808063 HXICETHFGBLJPI-OAHLLOKOSA-N 426.941 3.945 0 40 IHAB C[C@H](C(=O)O)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@H]([C@](C)(O)CO)[C@]4(CCC(=O)O4)C[C@@H]3CC[C@]12C 251981949 GFRDTMTUJTYIJJ-FWQIVQCBSA-N 436.589 3.775 0 40 IHAB biogenic,in-vitro Cc1ccc(N([C@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)cc1C 260453299 IPYLYFOIAPSHBQ-XLIONFOSSA-N 430.570 3.877 0 40 IHAB O=C1CCc2cc(S(=O)(=O)N[C@H](c3ccsc3)c3cccs3)cc3c2N1CC3 390827435 XPHFUOXEFDMIBW-LJQANCHMSA-N 430.576 3.713 0 40 IHAB CCCc1nc(S/C(=C\c2c(C)n(CC(=O)OCC)c3ccccc23)C(=O)O)n[nH]1 408630525 BAVXZDDMRWEANF-BOPFTXTBSA-N 428.514 3.801 0 40 IHAB Cc1cccc(C)c1N1C[C@H](C(=O)OCC(=O)Nc2cccc(C(F)(F)F)c2)CC1=O 408671043 SALXMDQSAXJGJT-OAHLLOKOSA-N 434.414 3.857 0 40 IHAB CCc1cccc(CC)c1NC(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 408705164 ZFRHLIYQINNPKN-UHFFFAOYSA-N 432.542 3.725 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2F)Cc2ccccc2)cc1 408980915 UJRIAZHIGGHZFR-UHFFFAOYSA-N 428.485 3.664 0 40 IHAB O=C(CNS(=O)(=O)c1cc(Cl)ccc1Cl)Nc1ccc(C(F)(F)F)cc1 409172387 GOMYWBTVPJPWGR-UHFFFAOYSA-N 427.231 3.929 0 40 IHAB CC(C)c1ccc(-c2noc(CCC(=O)N(C)c3cccc(S(C)(=O)=O)c3)n2)cc1 500354808 KJYOJXRHWZRHKT-UHFFFAOYSA-N 427.526 3.859 0 40 IHAB Cc1cc(C)n(-c2cc(N3CC(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)C3)ncn2)n1 575608160 DQSSPJJIVCRKPR-UHFFFAOYSA-N 434.397 3.512 0 40 IHAB C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(Cc2cccc(C(=O)N3CCCCC3)c2)C1=O 614509077 SUCGMPXNMRSAQY-AREMUKBSSA-N 431.536 3.769 0 40 IHAB COc1ccccc1[C@@H]1[C@H](C(=O)NCC2CCOCC2)SCC(=O)N1C1CCCCC1 952964465 CCUPFVVBLVYYAI-DHIUTWEWSA-N 446.613 3.556 0 40 IHAB C[C@@H](NC(=O)c1cccc2nc(C(F)F)[nH]c12)c1ccc(OCC(=O)NC2CC2)cc1 1596452118 ZYPKXNNLMDPRSR-GFCCVEGCSA-N 428.439 3.649 0 40 IHAB Cc1noc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3Cl)cc2)c1C 913167 MTVVFDQQPJXMHN-UHFFFAOYSA-N 435.889 3.763 0 40 IHAB Cc1ccc(C)c2[nH]c(=O)c(CN(C[C@@H]3CCCO3)S(=O)(=O)c3ccccc3F)cc12 914782 VPZRGWVXLVSNII-SFHVURJKSA-N 444.528 3.654 0 40 IHAB O=C(CSc1nnc2c3c4c(sc3ncn12)CCCC4)N1CCc2ccccc2C1 928375 ICVQPGXOPKDYQQ-UHFFFAOYSA-N 435.578 3.895 0 40 IHAB Cc1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)Nc4ccccc4)cc3C2=O)c(C)c1 952537 QRURJBOFXMLUNY-UHFFFAOYSA-N 428.444 3.900 0 40 IHAB O=C(NC1CCCC1)[C@@H](c1ccccn1)N(C(=O)c1csnn1)c1ccc(F)cc1 1356959 WBZXCLQZUDAMDH-LJQANCHMSA-N 425.489 3.519 0 40 IHAB CSCC[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)O 2139095 GOJXFELDYVOARB-AUUYWEPGSA-N 441.505 3.550 0 40 IHAB biogenic CCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCCC(=O)O)c2ccccc12 2193370 CFCCBWYDTDBQCR-PGMHBOJBSA-N 432.476 3.600 0 40 IHAB CCOC(=O)c1c(NC(=O)[C@H](C)OC(=O)c2ccc(O)cc2)sc2c1CC[C@H](C)C2 3312980 IYEIKIUPQJNBJY-STQMWFEESA-N 431.510 3.939 0 40 IHAB COc1ccccc1NC(=S)N(CCCO)Cc1cc2ccc(C)c(C)c2[nH]c1=O 4127419 JFMMAJTUVPFWTA-UHFFFAOYSA-N 425.554 3.735 0 40 IHAB COc1cc(NC(=O)O[C@@H]2CC[C@@]3(C)[C@@H]4CC(=O)O[C@@H]4CC[C@@H]3[C@]2(C)CO)cc(OC)c1 4259984 VOYRMMVMYIMTBW-PRIYMHJNSA-N 447.528 3.761 0 40 IHAB biogenic,in-vitro O=C1N[C@@H](c2ccc(C(F)(F)F)cc2)[C@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1 8741779 UIUBIZQIHWQRLB-TYNCELHUSA-N 438.349 3.871 0 40 IHAB CC(C)CNC(=O)c1ccc(N2C(=O)N3CCc4c([nH]c5ccccc45)[C@@]3(C)C2=O)cc1 8917772 DQTVIHMCDFTDJQ-VWLOTQADSA-N 430.508 3.794 0 40 IHAB biogenic COc1ccc(Br)c(C(=O)Nc2ccc(S(=O)(=O)N(C)C(C)C)cc2)c1 8985195 DSPDZSOMYWPJRB-UHFFFAOYSA-N 441.347 3.739 0 40 IHAB COC(=O)c1c(NC(=O)c2nn(-c3cccc(Cl)c3)ccc2=O)sc2c1CCCC2 8995531 XHDGCDLMHZCRQZ-UHFFFAOYSA-N 443.912 3.865 0 40 IHAB COc1ccc(CCNC(=O)c2ccccc2NCc2cc(=O)n3cccc(C)c3n2)cc1 9056853 LZRVNJSMRHDWRR-UHFFFAOYSA-N 442.519 3.596 0 40 IHAB O=C(COC(=O)c1ccccc1SCC(=O)N1CCCC1)Nc1ccc2c(c1)CCC2 9254758 MIVAQRIIGPNGDD-UHFFFAOYSA-N 438.549 3.685 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NCc3cn4ccccc4n3)cc2)c1 9376469 UCGXFVHGQZTHKW-UHFFFAOYSA-N 434.521 3.682 0 40 IHAB CC1=C(C(=O)Nc2cccnc2)[C@@H](c2ccccc2OCc2ccccc2)n2nnnc2N1 9444270 CGAQYZLBULBDOA-JOCHJYFZSA-N 439.479 3.575 0 40 IHAB COc1ccccc1C(=O)NC(=O)COC(=O)/C(=C/c1ccc(F)cc1)c1cccs1 9454399 RGPKKFIUNGHIGU-QGOAFFKASA-N 439.464 3.936 0 40 IHAB O=C(NCCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O)c1ccc2[nH]cnc2c1 9493883 DRDRBFJYGYJWBS-YVLHZVERSA-N 426.885 3.683 0 40 IHAB Cc1cccc(-c2nc3scc(CCNC(=O)C(=O)Nc4c(C)cc(C)cc4C)n3n2)c1 9569108 VCYMBQIGEMITAO-UHFFFAOYSA-N 447.564 3.989 0 40 IHAB COc1cccc(/C=C/C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)c1 9632837 QRSKGNZIVNTZKZ-FMIVXFBMSA-N 430.526 3.530 0 40 IHAB O=C(Nc1ccc2c(c1)OCCCO2)c1cccc(S(=O)(=O)NCc2cccs2)c1 9713561 JTLYQQXSSWKOLB-UHFFFAOYSA-N 444.534 3.640 0 40 IHAB O=C(c1ccccc1)c1ccc(OCC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1 9737444 FERMBJITMWVZKA-JOCHJYFZSA-N 449.528 3.517 0 40 IHAB O=C(Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1)c1ccc(Br)o1 10186623 AXBKXSXBEHKIPL-UHFFFAOYSA-N 429.274 3.588 0 40 IHAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 12200296 LJFFLCKMEQITTC-UHFFFAOYSA-N 432.807 3.813 0 40 IHAB CCCCN(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2Cl)cc1 12521123 WZGJGBZCQBXFET-UHFFFAOYSA-N 434.942 3.701 0 40 IHAB O=C(Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)[C@H]1COc2ccccc2O1 12548513 PVMXAOIGOFNEGG-HXUWFJFHSA-N 446.431 3.544 0 40 IHAB Cc1cc(C(=O)O)cc(S(=O)(=O)NC[C@@H](C)c2nc3ccccc3n2C(F)F)c1C 12551669 LARZOQJQLAYBIQ-GFCCVEGCSA-N 437.468 3.828 0 40 IHAB CC(=O)c1ccc(N2CCN(C(=O)[C@H](C)Oc3ccc(Br)cc3)CC2)c(F)c1 12557862 URJRTCWQSHYOJN-HNNXBMFYSA-N 449.320 3.907 0 40 IHAB Cc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1S(=O)(=O)N1CCOCC1 12562168 YAHZVDPYVBOTJH-UHFFFAOYSA-N 444.340 3.967 0 40 IHAB COc1ccc(C(=O)C2CCN(C(=O)[C@H](NC(=O)c3ccccc3C)C(C)C)CC2)cc1 12739248 YTJMZLQRNLHEPZ-HSZRJFAPSA-N 436.552 3.880 0 40 IHAB O=C(c1ccc(S(=O)(=O)C(F)F)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 12801480 ZATISWSBDQXTLW-QGZVFWFLSA-N 437.464 3.822 0 40 IHAB COC(=O)C1CCN(C(=O)CCc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)CC1 12898485 KFDZWAXFCGALDF-UHFFFAOYSA-N 425.481 3.809 0 40 IHAB biogenic Cc1ccc(-n2nc(C)c(NC(=O)COC(=O)c3cccc(N4CCCC4=O)c3)c2C)cc1 12980702 MPAIVXNNBJOASO-UHFFFAOYSA-N 446.507 3.720 0 40 IHAB O=C(NCCc1c[nH]c2ccccc12)c1cccc(S(=O)(=O)NCc2cccs2)c1 13109942 AXWCRMXEOLJAND-UHFFFAOYSA-N 439.562 3.680 0 40 IHAB Cc1ccnc(NC(=O)CCC(=O)N(CC(=O)NCc2ccccc2)c2cccc(F)c2)c1 13503678 KPZGRHCRDUEEPT-UHFFFAOYSA-N 448.498 3.597 0 40 IHAB NC1=NC(SCC(=O)Nc2ccc(F)c(Cl)c2)=N[C@H](c2c[nH]c3ccccc23)N1 13579095 XXXLTLJMLYPTMJ-QGZVFWFLSA-N 430.896 3.605 0 40 IHAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 13674483 GJECTVZISZRYOK-SBUREZEXSA-N 434.517 3.621 0 40 IHAB COc1ccc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccc(C)cc3)c3ccccc3O2)cc1 13844627 QTTKXJGQYXFRME-QFIPXVFZSA-N 438.505 3.599 0 40 IHAB O=C(OCc1nc2ccccc2[nH]1)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 14621239 WWYDOBRORLPVRT-UHFFFAOYSA-N 447.516 3.667 0 40 IHAB COc1ccc(OC)c(NC(=O)Cc2csc(NC(=O)Nc3ccccc3OC)n2)c1 16047532 VIUARWLVOKKPBA-UHFFFAOYSA-N 442.497 3.994 0 40 IHAB CS(=O)(=O)c1cccc(NC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)c1 16913247 ZOEFEICPFNGAKW-UHFFFAOYSA-N 436.533 3.734 0 40 IHAB C[C@@H](NC(=O)Cc1nnc(S)n1Cc1ccccc1)c1ccccc1Br 17965008 ACALPQSUXWMQGM-CYBMUJFWSA-N 431.359 3.798 0 40 IHAB Cc1ccnn1CCC(=O)N1CCC[C@@](Cc2ccccc2-c2cccs2)(C(N)=O)C1 19238427 PLIDBSSRBVBWHV-DEOSSOPVSA-N 436.581 3.647 0 40 IHAB CNC(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCCN(C(=O)Cc2ccccn2)C1 19591138 CQKHBLCQRPXFTJ-HHHXNRCGSA-N 427.548 3.889 0 40 IHAB O=S(=O)(c1ccccc1)N1CCO[C@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 19693212 CFAXGXXYELLVHE-SFHVURJKSA-N 449.454 3.925 0 40 IHAB COc1ccccc1NC(=O)c1ccc(C2CCN(C(=O)[C@@H]3CC=CCC3)CC2)nc1N 19765949 WAOQAHVEMVDZHJ-GOSISDBHSA-N 434.540 3.987 0 40 IHAB CCN(CC(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930177 BXCICNKXRYQNRW-UHFFFAOYSA-N 435.304 3.790 0 40 IHAB COc1ccc(N2C(=O)CS[C@@]23C(=O)N(CN2CCC[C@@H](C)C2)c2ccccc23)cc1 20038469 ZQJFOQBVAWPLRO-OSPHWJPCSA-N 437.565 3.664 0 40 IHAB Cc1cc2oc(=O)cc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)c2cc1Cl 20412476 FRKHOANWRDVLTJ-UHFFFAOYSA-N 426.900 3.801 0 40 IHAB biogenic C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)c3cncn3-c3ccc(F)cc3)cc2)C1 21339053 VDKYLWKCBPUIRY-MRXNPFEDSA-N 442.516 3.684 0 40 IHAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@H](NCCN1CCOCC1)c1ccccc1 22038156 QAFLTAQEIBOFBA-LJQANCHMSA-N 441.881 3.960 0 40 IHAB COc1ccc(CCC(=O)O[C@H](C)C(=O)Nc2ncc(Cl)cc2Cl)cc1OC 23645457 NMJORXAFOGEFPI-LLVKDONJSA-N 427.284 3.909 0 40 IHAB O=C(NCc1ccccc1CN1CCOCC1)c1ccc(NC(=O)c2cccs2)cc1 23883196 JKOAZSJHBTWALE-UHFFFAOYSA-N 435.549 3.763 0 40 IHAB Cn1c(SCC(=O)N2CCC[C@H]2c2cccs2)nnc1[C@H]1COc2ccccc2O1 24630775 MERHYVBSOJLINH-WMLDXEAASA-N 442.566 3.845 0 40 IHAB CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN[C@H](C)c2ccc(Cl)cc2Cl)C1=O 24808734 YLZHKBWWIKLMTL-LRTDBIEQSA-N 449.338 3.533 0 40 IHAB CN(Cc1ccccc1NS(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1)C1CCCCC1 27969015 JYZKQYOTKKJCIX-UHFFFAOYSA-N 444.601 3.816 0 40 IHAB O=C(Cn1nc2n(c1=O)CCCCC2)N[C@H](c1ccc2c(c1)CCCC2)c1cccs1 30573996 MBPBLOWDEBNNGP-HSZRJFAPSA-N 436.581 3.617 0 40 IHAB COC(=O)c1c(C)[nH]c(-c2cc(OC)c(OC)c(OC)c2)c1[C@@H]1C(=O)Nc2ccccc21 32123801 AZEYUZWGGNXWLR-LJQANCHMSA-N 436.464 3.887 0 40 IHAB biogenic COc1ccccc1NC(=O)Cn1cc(-c2nc(-c3ccc(Cl)cc3)no2)ccc1=O 33293190 LTXBXSUHXGTBAF-UHFFFAOYSA-N 436.855 3.866 0 40 IHAB O=C(CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)N1CCC[C@@H]2CCCC[C@H]21 36398662 OLJWKCAANJOORF-BBTUJRGHSA-N 441.597 3.849 0 40 IHAB CCCn1c(=O)c2ccccc2n2c(S[C@H](C)c3nc(-c4cccnc4)no3)nnc12 40040837 SAWGKVIQUBIVGN-CYBMUJFWSA-N 433.497 3.753 0 40 IHAB CC(C)N1CCN(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)c(Cl)c2)CC1 40121226 YXXWSENNNLKXQT-UHFFFAOYSA-N 426.904 3.699 0 40 IHAB Cc1cc(Br)c(O)c(C(=O)OCC(=O)Nc2ccc(OC(F)F)cc2)c1 40151885 GYMADWDKNYKYII-UHFFFAOYSA-N 430.201 3.860 0 40 IHAB O=C(Nn1ccc2c(cnc3c(-c4ccc(F)cc4)cnn32)c1=O)c1ccccc1Cl 40396648 ATWYJMSCNWRXOR-UHFFFAOYSA-N 433.830 3.888 0 40 IHAB CC(=O)N1CSC[C@@H]1C(=O)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 48374132 MAWJCGZYDDLZEE-LAUBAEHRSA-N 427.957 3.991 0 40 IHAB O=C(Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1)NCc1ccc2c(c1)OCO2 57487323 ADNLKTGRXPGNAU-UHFFFAOYSA-N 436.855 3.904 0 40 IHAB Cc1c(C#N)c(NC(=O)COC(=O)c2cccc3c2OCCO3)n(-c2ccccc2)c1C 64171670 GKCIBHPUJCRZQX-UHFFFAOYSA-N 431.448 3.533 0 40 IHAB CCn1c(SCC(=O)N[C@](C)(C(=O)OC)c2ccccc2)nnc1-c1ccccc1C 65589180 OTNGTKLTXZDOOX-QHCPKHFHSA-N 438.553 3.570 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)c1cnc(N(CC(C)C)CC(C)C)nc1N 71771935 ZLKMQUQEBXPMHF-UHFFFAOYSA-N 426.970 3.672 0 40 IHAB C[S@@](=O)C[C@H](NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)c1ccccc1 72298102 UAFNMVMWUGAGGB-ZTOMLWHTSA-N 441.574 3.510 0 40 IHAB COCc1nc2sc(C(=O)OC[C@]3(C)CCCN3Cc3ccccc3)c(C)c2c(=O)[nH]1 72310753 SWTNEWBAQIDQBE-QHCPKHFHSA-N 441.553 3.651 0 40 IHAB Cc1cc(C(=O)N2C[C@@H]3[C@@H](CCC[C@@]3(O)c3cccc(C(F)(F)F)c3)C2)c(=O)[nH]c1C 72340398 LXJUMJLZGJYJEE-VQPPSCEASA-N 434.458 3.770 0 40 IHAB COc1ccc(CN2CCN(c3c(F)cccc3[C@@H](O)c3nccn3C)CC2)c(C)c1C 72340608 BBLQGJULSYFOLZ-XMMPIXPASA-N 438.547 3.589 0 40 IHAB Cc1ccc(OC(C)(C)C(=O)N2CCC([C@@H]3C[C@H](C(F)F)n4ncnc4N3)CC2)cc1C 72395694 ZSBBAHXPZBMZGR-RBUKOAKNSA-N 447.530 3.982 0 40 IHAB COC(=O)[C@@H](C)[C@@H](NC(=O)c1cc(Br)c2c(c1)OCCO2)c1ccccc1 78996201 DGQJDKXCEFALPA-YVEFUNNKSA-N 434.286 3.501 0 40 IHAB COC(=O)c1ccc(CCC(=O)Nc2c(C)cnn2[C@H]2CCN(Cc3ccccc3)C2)cc1 89702555 OBIXQJJAHHPBNQ-QHCPKHFHSA-N 446.551 3.996 0 40 IHAB CC(C)N(CC(=O)N(C(C)C)C(C)C)C[C@@H]1CCCN(CC(=O)N(C(C)C)C(C)C)C1 95979973 HSGKHKSLMUKHDU-HSZRJFAPSA-N 438.701 3.700 0 40 IHAB O=C(N[C@H]1C[C@@H]2CC[C@@H]1C2)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 100091363 YLJFQXSSDQIJRZ-NRXGSXMXSA-N 445.412 3.840 0 40 IHAB COC(=O)Cc1ccc(NC(=S)N2CCCC3=C[C@@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)cc1 100766603 HTFIDJSGQLUDQV-QVHJCDIPSA-N 439.625 3.994 0 40 IHAB CC1=C[C@H]2C[C@H]1[C@H]1C(=O)N(c3ccc(C(=O)OCC(=O)c4ccc(F)cc4)cc3)C(=O)[C@@H]21 102085401 ZYNFFYIKOUYRTA-UHVFKWDWSA-N 433.435 3.567 0 40 IHAB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)OCC(=O)N(C1CCCCC1)C1CCCCC1 102127780 VSOLFFLYFKYGJG-NHCUHLMSSA-N 446.588 3.589 0 40 IHAB COC[C@]1(C(N)=S)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(Cl)c1 218622785 SFGHIZLBYZSJPD-XYJFISCASA-N 430.378 3.852 0 40 IHAB CC[C@H](C(=O)NCCCc1cccc(OC)c1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 219120443 PKZNWPUQVVFVQE-JOCHJYFZSA-N 432.586 3.606 0 40 IHAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1C1CC1 223174390 CKIMAFZHCHAHPC-XZOQPEGZSA-N 439.629 3.530 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3ccc4c(c3)CCC4)CC2)cc1 223257790 OJTPVVUBZYQOTC-GOSISDBHSA-N 426.582 3.762 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCSC2CCCC2)c2ccccc2)cc1 223667087 IRASZYXUOSVKLJ-UHFFFAOYSA-N 432.611 3.982 0 40 IHAB CCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1ccc(Cl)c(C)c1 224544865 PNVGOJBXMBKZQY-OAQYLSRUSA-N 432.948 3.979 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCC1=CCCCC1)c1ccccc1Br 224726682 WCNBFMPLYYHRPK-UHFFFAOYSA-N 429.380 3.612 0 40 IHAB COc1cccc(CN(C)CC(=O)N2CCC[C@@H]2c2cncc(Nc3ncccc3C)n2)c1 257222143 DSCRCUGFVJUIRD-JOCHJYFZSA-N 446.555 3.728 0 40 IHAB Cc1ccc(C2(C(=O)N3CCC[C@H](Cc4[nH]ncc4S(C)(=O)=O)C3)CCCCC2)cc1 257312248 UMZUYDCGYFQMCA-LJQANCHMSA-N 443.613 3.805 0 40 IHAB Cc1ccccc1Cc1cccc([C@@H]2CN(C(=O)c3noc(C)c3CN(C)C)CCO2)n1 257343035 ZRECSGXFRWSRES-QHCPKHFHSA-N 434.540 3.553 0 40 IHAB COc1ccc(C(=O)Nc2ccc(F)cc2F)cc1S(=O)(=O)NCCc1ccccc1 408713797 XNYPROSUWQVGOO-UHFFFAOYSA-N 446.475 3.747 0 40 IHAB O=C(CNS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(OCc2ccccc2)cc1 409144165 ILXYLARZQWJMLJ-UHFFFAOYSA-N 430.913 3.836 0 40 IHAB COc1cc(/C=C2/N=C(c3ccc4c(c3)OCO4)OC2=O)ccc1OC(=O)c1ccco1 409192164 VCWWBXDGHCKASF-OQLLNIDSSA-N 433.372 3.581 0 40 IHAB Cc1ccc(CNC(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1 409389241 GUVNFOIHDSJRHK-UHFFFAOYSA-N 428.485 3.630 0 40 IHAB Cc1sc2nc(CS[C@H](C)C(=O)N[C@@H](C)CN3CCC[C@@H](C)C3)nc(O)c2c1C 509648949 DEQDYXJYAOFCHM-DVOMOZLQSA-N 436.647 3.872 0 40 IHAB COc1ccc2c(=O)c(C(=O)N3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@@H]56)[C@H]43)c[nH]c2c1 604404504 CVCGWCIVYITPEF-MQQADFIWSA-N 433.552 3.572 0 40 IHAB biogenic COc1ccc(F)cc1-c1ccc(C[C@]2(C(=O)N[C@H]3CCCN(C)C3)CCCO2)cc1 643550647 LNHYYOXQPYKJOR-OFVILXPXSA-N 426.532 3.803 0 40 IHAB CS(=O)(=O)c1ccc2ncnc(N3CCC4(CCN(Cc5ccccc5)CC4)C3)c2c1 644865893 ZHHROFTXWPSKSD-UHFFFAOYSA-N 436.581 3.526 0 40 IHAB C[C@]1(c2cccc(CNC(=O)c3cccc(-c4c(F)cccc4F)c3)c2)NC(=O)NC1=O 1116384000 GEIFOVCQSNZWBT-XMMPIXPASA-N 435.430 3.616 0 40 IHAB O=C1NCCN(C(=O)c2cc(F)cc3ccncc23)[C@@H]1c1ccc(OC(F)(F)F)cc1 1528824089 QRUHMGFEOWUGBG-GOSISDBHSA-N 433.361 3.586 0 40 IHAB Cc1ccc(CN2CCC3(CC2)[C@H](C(=O)N2CCC2)c2ccccc2C(=O)N3C(C)C)o1 1549166112 AERCKDGMWBAKCX-QHCPKHFHSA-N 435.568 3.803 0 40 IHAB Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)c(C)n1Cc1ccco1 2647371 DKTHQTYDYXDXIK-RUZDIDTESA-N 431.492 3.713 0 40 IHAB aggregator C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCCNC(=O)[C@@H](C)Oc1cccc(Cl)c1 2753861 XOEZGAXDDMLUHT-HUUCEWRRSA-N 439.339 3.851 0 40 IHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@@H](C)O[C@H](C)C2)c1 3226028 OPCDBQOPTYQRAK-HZPDHXFCSA-N 436.961 3.805 0 40 IHAB CCOCCCn1c(SCC(=O)Nc2cccnc2Cl)nc2ccccc2c1=O 3500251 MAIMCQWFSATHGI-UHFFFAOYSA-N 432.933 3.602 0 40 IHAB CCCNC(=O)c1nn(CC)cc1NC(=O)c1cccc(Cn2nc(C)c(Cl)c2C)c1 8782545 NIADPHOVPBUWIW-UHFFFAOYSA-N 442.951 3.810 0 40 IHAB COc1cc(CSc2nc(CC(=O)Nc3ccccc3C(N)=O)cs2)cc(OC)c1 8853839 RBPRFVNXEHARNY-UHFFFAOYSA-N 443.550 3.733 0 40 IHAB O=C(CC[C@@H]1N=C(O)N(CCc2ccccc2)C1=O)NCc1ccc(Cl)cc1Cl 9047953 LJUUEPJSOAJBBV-SFHVURJKSA-N 434.323 3.757 0 40 IHAB CCOc1cc(N2CCOCC2)c(OCC)cc1NS(=O)(=O)c1ccc(C)cc1C 9285154 ADISOPPRXLKFCS-UHFFFAOYSA-N 434.558 3.738 0 40 IHAB Cc1c(CC(=O)NCCCN(C)C)c(=O)oc2cc3c(cc12)CCC1(CCCCC1)O3 9305841 JWZGKKXBEWNWDL-UHFFFAOYSA-N 426.557 3.740 0 40 IHAB CCOc1cccc(-c2nnc(SCC(=O)Nc3cc(C)c(Cl)cc3OC)n2N)c1 9424410 JOYZJTNYRABJLO-UHFFFAOYSA-N 447.948 3.759 0 40 IHAB Cc1cc(C)c(OCC(=O)N(Cc2cccc(Cl)c2)[C@@H]2CCS(=O)(=O)C2)c(C)c1 9459735 HDFLKGKRIVDKEO-HXUWFJFHSA-N 435.973 3.860 0 40 IHAB CCOc1ccc(N2CCn3c(SCC(=O)NCc4ccccc4Cl)nnc32)cc1 9651559 PGIGDCDJUUUDKD-UHFFFAOYSA-N 443.960 3.890 0 40 IHAB O=C(Nc1nnc(-c2ccccc2)o1)c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1 9714808 QQKQSTIHMAPWJB-UHFFFAOYSA-N 438.440 3.929 0 40 IHAB C[C@]1(c2ccccc2)NC(=O)N(CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)C1=O 9883705 OPAFMKOSOPVDET-HSZRJFAPSA-N 437.883 3.683 0 40 IHAB COC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2cccs2)c1 9907881 TWJSDBYXDFHVOR-UHFFFAOYSA-N 449.532 3.749 0 40 IHAB CCCCn1nc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)c2ccccc2c1=O 9962345 OYNRPBDZAQXSTE-CYBMUJFWSA-N 438.553 3.734 0 40 IHAB COc1ccc(-c2ccc(=O)n(CC(=O)Nc3cccc(C(F)(F)F)c3)n2)cc1OC 10131826 SXLQNBLLARQDDY-UHFFFAOYSA-N 433.386 3.585 0 40 IHAB CCOC(=O)C1=C(N)Oc2cc(C)n(CCc3ccccc3)c(=O)c2[C@H]1c1ccccc1F 10166139 ILXDEXNJHMNZSX-OAQYLSRUSA-N 448.494 3.796 0 40 IHAB O=C(c1cc(-c2ccc(Cl)cc2)on1)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 11914824 GDWKXZMCFPZPMF-GOSISDBHSA-N 430.913 3.825 0 40 IHAB CN(C)CCCN(C(=O)CCS(=O)(=O)c1ccccc1)c1nc2ccc(F)cc2s1 12140930 OWVXDKMTJCGJSG-UHFFFAOYSA-N 449.573 3.584 0 40 IHAB COc1ccc([C@@H](C)NC(=O)c2ccc3c(c2)S(=O)(=O)N=C2CCCCCN23)cc1F 12553297 SAVOLZKEWIKXFQ-CQSZACIVSA-N 445.516 3.807 0 40 IHAB CC(C)n1ncc2cc(C(=O)NCc3nnc4c(Cl)cc(C(F)(F)F)cn34)cnc21 12746182 OZNUVGSPWBAFNC-UHFFFAOYSA-N 437.813 3.657 0 40 IHAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cs1 12778873 ZCTPEBXYYKRADY-UHFFFAOYSA-N 427.551 3.572 0 40 IHAB O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)c1ccc(C2CCCCC2)cc1 12801717 XSMGHTRGTHESAF-UHFFFAOYSA-N 428.554 3.563 0 40 IHAB CN(Cc1ccc(Br)s1)C(=O)CNC(=O)c1cccc(Br)c1 12971657 LPJQNNRUNNKHLI-UHFFFAOYSA-N 446.164 3.662 0 40 IHAB COCC(=O)Nc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C[C@H](c1ccc(OC)cc1)N2 13127240 IVTWYJRMCCRDBE-MSOLQXFVSA-N 427.892 3.671 0 40 IHAB CCOc1ccc(C(=O)NCCCNC(=O)c2cc3ccccc3[nH]2)cc1Br 13858122 ULVMKLAKYJSUQS-UHFFFAOYSA-N 444.329 3.879 0 40 IHAB O=C(CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1)Nc1ccc2c(c1)OCO2 14227801 VDLJDXRBJCDFHA-UHFFFAOYSA-N 430.526 3.551 0 40 IHAB CC(C)(CNC(=O)Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O)N1CCCCC1 14232104 DSRPHJIYERUUII-UHFFFAOYSA-N 442.560 3.645 0 40 IHAB O=C([C@H]1Cc2ccccc2CN1S(=O)(=O)c1cc(Cl)ccc1Cl)N1CCCC1 14254872 GZDIMXNLKIUSCQ-GOSISDBHSA-N 439.364 3.731 0 40 IHAB O=C(c1ccc2c(c1)OCCO2)C1CCN(Cn2c(=O)oc3cc(Cl)ccc32)CC1 14317866 KCZZBYZVAJHANC-UHFFFAOYSA-N 428.872 3.572 0 40 IHAB COc1ccccc1NS(=O)(=O)c1ccc(C(=O)Oc2ccc(NC(C)=O)cc2)cc1 15541536 ZVRAJCOGSMASTC-UHFFFAOYSA-N 440.477 3.674 0 40 IHAB CN1C(=O)[C@](O)(CC(=O)c2ccc(Br)cc2)c2cc(Br)ccc21 17083433 LIUVSHULXJMSLP-KRWDZBQOSA-N 439.103 3.649 0 40 IHAB COc1cc(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc(OC)c1OC 17333750 FBGIADBEACPWOI-UHFFFAOYSA-N 439.839 3.863 0 40 IHAB Cc1ccc(N2C(=O)[C@@H]3[C@H]4c5ccccc5C=NN4[C@H](C(=O)c4ccccc4)[C@@H]3C2=O)cc1 18033997 BNCRVEMSACYJEW-KEZOAJOQSA-N 435.483 3.757 0 40 IHAB CCn1cncc1C(=O)N1CCc2nc(-c3ccncc3)nc(Nc3ccccc3F)c2C1 19578457 DLVXIRVLZKSTEE-UHFFFAOYSA-N 443.486 3.836 0 40 IHAB Nc1ccc(-c2ccc([C@H]3CCCN(C(=O)Cc4ccc5c(c4)CCCO5)C3)nc2)cn1 19689313 HPEMDMCEHAAWBE-QFIPXVFZSA-N 428.536 4.000 0 40 IHAB O=C(CN1c2ccccc2-c2ccccc2S1(=O)=O)NCCSCc1ccco1 20062974 QXPQXRGWIWZIRE-UHFFFAOYSA-N 428.535 3.505 0 40 IHAB CC(C)C(=O)N1CCN(c2c(Cl)cccc2NC(=S)NC(=O)c2ccccc2)CC1 20412617 VWOJJRJOLHULCI-UHFFFAOYSA-N 444.988 3.771 0 40 IHAB O=C(CN1N=C(c2ccccc2F)c2cc(Cl)ccc2S1(=O)=O)NC1CCCCC1 21942706 SVFRRFUPPOLAFI-UHFFFAOYSA-N 449.935 3.685 0 40 IHAB COc1ccc(CCCNC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 22341646 LLVMYTSSEDKFDF-UHFFFAOYSA-N 445.368 3.517 0 40 IHAB Cc1nc2sc([C@H](c3ccco3)N3CCN(c4cccc(Cl)c4)CC3)c(O)n2n1 23158131 GTIVCMRNNXEBGP-KRWDZBQOSA-N 429.933 3.963 0 40 IHAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1)N1CCN(C[C@@H]2CCCO2)CC1 23907838 QGNACUDALGBFGV-AAJFVQQISA-N 442.563 3.876 0 40 IHAB Cc1ccc(-c2c(C)sc3[nH]c(CN4CCN(C(=O)c5ccco5)CC4)nc(=O)c23)cc1 23936605 PLQVDAIKMYHZGS-UHFFFAOYSA-N 448.548 3.819 0 40 IHAB CCOc1ccc([C@@H]2CCCN2CC(=O)NCC(=O)Nc2cccc(Cl)c2C)cc1 24216570 FXGSWWODJYUMEA-NRFANRHFSA-N 429.948 3.939 0 40 IHAB C[C@H](Sc1nnc(N2CCCC2)n1Cc1ccco1)C(=O)N1c2ccccc2C[C@@H]1C 25944882 IFACDECLFLQXPL-IRXDYDNUSA-N 437.569 3.978 0 40 IHAB COc1ccc(C)cc1NC(=O)CNC(=O)c1sc(Cc2ccc(F)cc2)nc1C 30894099 ZWHIUUPKFFUSLM-UHFFFAOYSA-N 427.501 3.867 0 40 IHAB COCCCNC(=O)c1ccccc1NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 30941876 SOMMHUZHFLFPDV-IBGZPJMESA-N 443.975 3.957 0 40 IHAB Cc1cccn2c(=O)cc(CSc3nnc(-c4cccs4)n3C[C@@H]3CCCO3)nc12 32671915 HYQBZWQMOVPHHL-INIZCTEOSA-N 439.566 3.794 0 40 IHAB O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)C1CCN(C(=O)c2ccco2)CC1 32744533 BWQDMMQQZMACBN-UHFFFAOYSA-N 425.466 3.623 0 40 IHAB CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H]3c3ccc[nH]3)CC2)cc1 32911549 LAKKLWPQABCYKN-QFIPXVFZSA-N 429.586 3.903 0 40 IHAB CCOC(=O)N1CCN(CC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)CC1 35808604 HLPMOKCWTFLGCX-UHFFFAOYSA-N 438.553 3.984 0 40 IHAB O=C(Cn1nc(C(F)F)c2c1CCC2)Nc1ccn(Cc2c(F)c(F)cc(F)c2F)n1 36614217 LWPAXUQNWHYLJX-UHFFFAOYSA-N 443.351 3.749 0 40 IHAB CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)c1cc(C)n(Cc2ccco2)c1C 48344947 HXGRLZKKKAMPGO-HXUWFJFHSA-N 429.561 3.626 0 40 IHAB Cc1ccc2c(=O)c(C(=O)N3CCCCC3)cn(CC(=O)Nc3ccc(Cl)cc3)c2n1 49002196 HLXOPPIGMFFHDX-UHFFFAOYSA-N 438.915 3.623 0 40 IHAB COc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2cc(Cl)ccc2OC)cc1 51358004 QWBPHKWWHCIILE-UHFFFAOYSA-N 434.876 3.648 0 40 IHAB CC[C@H]1CCCCN1C(=O)Cn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2sccc21 57491765 YORDLDAGSQIBNN-HNNXBMFYSA-N 431.945 3.658 0 40 IHAB COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)N1CCC[C@@H]1c1ccsc1 58114723 KDPNLHBQNUXOTA-LJQANCHMSA-N 428.558 3.513 0 40 IHAB COc1cc(Br)cc(C)c1NC(=O)Cn1cnc2c(oc3ccccc32)c1=O 59327129 XDUBEHSTZRYUFK-UHFFFAOYSA-N 442.269 3.861 0 40 IHAB C[C@@H](Oc1ccc(C(=O)NCCN2CCN(C)C[C@@H]2c2ccccc2)cn1)c1ccccc1 69621358 XAQUWSHPQWWRIG-PXDATVDWSA-N 444.579 3.940 0 40 IHAB Cc1cc(C)n(-c2cc(N3CCC[C@H](C(=O)Nc4nc5ccccc5s4)C3)ncn2)n1 70638168 FOKICYFERVKDSC-INIZCTEOSA-N 433.541 3.744 0 40 IHAB CCOc1ccc2cc([C@@H]3CC(c4cccc(C)c4)=NN3C(=O)CCC(=O)O)c(=O)[nH]c2c1 89914146 JJVDUBYQSJTBTG-QFIPXVFZSA-N 447.491 3.778 0 40 IHAB COc1cccc2cc(C(=O)NCc3ccc([C@@H](O)c4cccs4)s3)c(=O)oc12 90613649 FFHFCERSCLZXMF-SFHVURJKSA-N 427.503 3.936 0 40 IHAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccccc3)N2S(=O)(=O)c2ccc(C)cc2)cc1 98086475 KONAWPLBZBEDLR-WELAQSEPSA-N 427.547 3.849 0 40 IHAB CC[C@H]1CCCCN1c1nc(=O)c2c([nH]1)NC(=O)C[C@H]2C(=O)Nc1cccc(Cl)c1C 139120170 GQLWKRQMKWZYLG-UONOGXRCSA-N 443.935 3.565 0 40 IHAB CC[C@@H](C(=O)Nc1cccc(C(C)=O)c1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O 222506295 VSWGEQDIIGLDRH-SFHVURJKSA-N 426.897 3.865 0 40 IHAB CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccccc1C 222985064 QYPXJXDTNLFKLI-INIZCTEOSA-N 433.346 3.690 0 40 IHAB COc1ccc(CN(C(=O)Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC[C@@H]2CCCO2)cc1 222997613 WEIFEKBELHWITO-JTSKRJEESA-N 444.959 3.604 0 40 IHAB CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccc(C)c(C)c1 223017353 ZIPNQYYWCULGOF-QGZVFWFLSA-N 447.373 3.998 0 40 IHAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1 223453981 DSQGHRNXLBKGOD-DEOSSOPVSA-N 434.511 3.981 0 40 IHAB CCc1ccc([C@@H](C)NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCC3)c2)cc1 223932685 PZKFBUCFLSZONG-QGZVFWFLSA-N 430.570 3.923 0 40 IHAB CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1C(C)(C)C 224006158 AJGCJUUXTWOQJV-GOSISDBHSA-N 426.557 3.925 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3cccc(OC)c3)cc2C)cc1 224091692 JYCZLXOCGHFFAZ-UHFFFAOYSA-N 440.521 3.743 0 40 IHAB C[C@H](CNC(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1)c1ccccc1 224362541 IPNDGTJIIOGUGK-QGZVFWFLSA-N 434.989 3.802 0 40 IHAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N(C)Cc3cccs3)cc2)cc1 224493651 BNUXOESCWFZAHW-UHFFFAOYSA-N 430.551 3.854 0 40 IHAB Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)NCCCN1CCc2ccccc21 224884298 ZXPFDODWXCRCPU-NKFKGCMQSA-N 429.520 3.928 0 40 IHAB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc2c(c1)OCCO2 225552909 AIBYEKDHTOOQJS-KRWDZBQOSA-N 444.959 3.986 0 40 IHAB COc1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(C)C(=O)[C@H]1S(=O)(=O)c1ccc(C(C)C)cc1 229980221 SLJZKUWMQWWDMC-UNWVZKJWSA-N 429.538 3.715 0 40 IHAB Cc1nn([C@@H](C)CC(=O)N2CCNC(=O)[C@@H]2Cc2ccc(-c3ccccc3)cc2)c(C)c1C 257267269 MGOXZFBGCHACJU-BVZFJXPGSA-N 444.579 3.996 0 40 IHAB Cc1ccc2c(c1)OC(C)(C)[C@H]1CC3(CCN(C(=O)c4ccn(C)c(=O)c4)CC3)CO[C@H]21 257273637 NHMZNNISFQVLRK-NZQKXSOJSA-N 436.552 3.865 0 40 IHAB Cc1cc(-c2ccccc2)cc([C@@H]2CCCN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)C2)n1 257278584 OCVKCYRCEUTNNZ-GOSISDBHSA-N 448.548 3.795 0 40 IHAB COCC(=O)N1CCC(Cc2ccc(-c3cccs3)cc2)(C(=O)N2CCCC2)CC1 257321787 WDFVGVOALJHAHF-UHFFFAOYSA-N 426.582 3.835 0 40 IHAB COc1ccc(N2CCC[C@](C)(C(=O)Nc3ccc(OC(C)C)cc3)S2(=O)=O)cc1 260826502 BYTIJWHYKMVTEB-JOCHJYFZSA-N 432.542 3.810 0 40 IHAB Cc1cc(C)c([C@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1C 260926596 JCECOWOTMXUMFK-MGPUTAFESA-N 436.961 3.670 0 40 IHAB CN(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl 408584463 QAJXZLCEVXYNGP-UHFFFAOYSA-N 436.961 3.598 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 408681533 XEDHMWQJKJLJOG-UHFFFAOYSA-N 438.933 3.702 0 40 IHAB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc(Cl)c1O 408882846 PCSRLSDDYLMNNR-NVNXTCNLSA-N 436.848 3.868 0 40 IHAB CCCCNC(=O)CN1C(=O)S/C(=C\c2ccc(OC)c3cccc(OC)c23)C1=O 409215083 ZOUCJOVRYLVVOX-PDGQHHTCSA-N 428.510 3.810 0 40 IHAB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc(OC)c1OC 409235115 AXWBZLRUFOEFHM-RQZCQDPDSA-N 446.456 3.527 0 40 IHAB Cc1ccc2nc(CNc3ccc(I)cc3Cl)cc(=O)n2c1 513227849 RTRFGVWSPFUZTP-UHFFFAOYSA-N 425.657 3.873 0 40 IHAB O=C(C[C@H](c1cc2c(cc1O)OCO2)c1coc2ccccc2c1=O)NCc1ccco1 524732093 WULYKLKPRXBFRG-MRXNPFEDSA-N 433.416 3.659 0 40 IHAB biogenic COc1ccc(CCNC(=O)[C@@H]2CN(C)C[C@@H]2c2cccc(CNC3CCCC3)c2)cc1 585262563 SYYHQKQUDAAKHR-CLJLJLNGSA-N 435.612 3.732 0 40 IHAB C=CC(=O)N1CCC(C(=O)Nc2ccc(Br)cc2O)(c2ccccc2)CC1 1136218994 IOTDLUCKHHBEQB-UHFFFAOYSA-N 429.314 3.840 0 40 IHAB O=C(COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)Nc1c(F)cccc1F 664612 GNDPPFLURYFAPL-UHFFFAOYSA-N 446.475 3.503 0 40 IHAB Cc1cccc(OCC(=O)Nc2ccc(N3CCN(C(=O)C(C)C)CC3)c(Cl)c2)c1 806971 BJGHWBPLAGXBBC-UHFFFAOYSA-N 429.948 3.971 0 40 IHAB COc1ccc(OC)c([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(Br)cc2)c1 823182 WDIAXPDCLROMOV-SFHVURJKSA-N 446.301 3.733 0 40 IHAB CC(C)(CNC(=O)c1ccc(Br)o1)CNC(=O)c1ccc(Br)o1 2059517 DZJBBPJHBNZTOY-UHFFFAOYSA-N 448.111 3.584 0 40 IHAB C[C@@H]1Cc2ccccc2N1C(=O)CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O 2647594 MJKMKJDXOUYAFS-WINIVTDRSA-N 439.515 3.654 0 40 IHAB O=C(Cn1cc(C(=O)c2ccccc2)c(=O)c2cc(F)ccc21)Nc1ccc2c(c1)OCO2 2689810 QYKUWFSCLALUPD-UHFFFAOYSA-N 444.418 3.739 0 40 IHAB COC(=O)c1ccc(CNC(=O)CSc2nnc(Nc3ccc(C)cc3)s2)cc1 3267323 YJKACOJLBFWBSM-UHFFFAOYSA-N 428.539 3.785 0 40 IHAB COC(=O)c1c(NC(=O)COc2ccc3ccc(=O)oc3c2)sc2c1CCCCC2 3512350 VAKGPVHPLXXTQC-UHFFFAOYSA-N 427.478 3.928 0 40 IHAB COc1ccccc1-n1c(SCC(=O)c2ccc(O)cc2O)nc2ccccc2c1=O 3533161 LJULUZUCQCVYCQ-UHFFFAOYSA-N 434.473 3.781 0 40 IHAB CCOc1ccc2[nH]c(=O)c(CN(C(=S)NCCCOC)C3CCCCC3)cc2c1 4133065 NDWDCLAINHXISR-UHFFFAOYSA-N 431.602 3.973 0 40 IHAB O=C(NCCOc1ccccc1Cl)c1ccc(NS(=O)(=O)c2ccccc2)cc1 5345194 BQXGCPOIYQWJFO-UHFFFAOYSA-N 430.913 3.950 0 40 IHAB Cc1ccc(CNC(=O)c2nc(S(=O)(=O)Cc3ccc(C)cc3)ncc2Cl)cc1 8613657 IXGJONSUKQHYGG-UHFFFAOYSA-N 429.929 3.651 0 40 IHAB COC(=O)/C=C1\C(=O)N(c2nc3ccc(OC)cc3s2)C(=S)N1c1ccc(F)cc1 8644063 UCIHHJHSASXYSP-XNTDXEJSSA-N 443.481 3.639 0 40 IHAB CC[C@@H](C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(=O)N(CC)CC 8694332 VDLYJQCMLYRAIR-VGSWGCGISA-N 439.556 3.960 0 40 IHAB COC(=O)c1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccncc2)cc1 8845943 KJDFUSFERFAAIP-OAQYLSRUSA-N 426.428 3.720 0 40 IHAB CC(=O)OC[C@]1(C)[C@@H](OC(C)=O)CC[C@@]2(C)[C@H]1CC[C@@H](C)[C@]21CC[C@]2(COC(=O)C2)O1 8918450 JZNGEGWFNPRYBH-JTVIBUCASA-N 436.545 3.569 0 40 IHAB biogenic Cc1cc(C)cc(NC(=O)CSc2nnc(-c3cc(-c4ccc(F)cc4)n[nH]3)n2N)c1 9187603 OHNWVOUTEPDQGC-UHFFFAOYSA-N 437.504 3.536 0 40 IHAB CC(=O)Nc1ccc(C(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccccc4C)C3)s2)cc1 9198065 MHLAKYIRAKNDHJ-MRXNPFEDSA-N 435.509 3.578 0 40 IHAB O=C(CNc1ccc(S(=O)(=O)N2CCCC2)cc1)NC(c1ccccc1)c1ccccc1 9221063 XJAYGJKBJGZQRM-UHFFFAOYSA-N 449.576 3.789 0 40 IHAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(-c2cccnc2)n1C1CC1 9252388 BJUJKUGKHDBXOX-AWEZNQCLSA-N 434.525 3.531 0 40 IHAB CC(=O)c1cccc(N2C(SCCCc3ccccc3)=N[C@H]3CS(=O)(=O)C[C@@H]32)c1 9418953 JNMHSYPRJSCPLO-SFTDATJTSA-N 428.579 3.597 0 40 IHAB CC1(C)Cc2c(c(N3CCCC3)nc3sc(C(=O)NCc4ccco4)c(N)c23)CO1 9449678 AOZNLSZMVWBINP-UHFFFAOYSA-N 426.542 3.853 0 40 IHAB CCCS(=O)(=O)Nc1cccc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)c1 9507834 NGWBGRMCTJGBDO-UHFFFAOYSA-N 436.527 3.954 0 40 IHAB C[C@@H]1CCC[C@H](NC(=O)COC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)[C@@H]1C 9580288 WBDQSMOUSQSXQC-PJIZGREPSA-N 436.552 3.512 0 40 IHAB O=C1c2ccccc2C(=O)N1CCSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1 9663941 KKBUXYHBGFEJOT-UHFFFAOYSA-N 445.475 3.913 0 40 IHAB Cc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccc(Cl)cc4Cl)nc32)cc1C 9739139 WJFRHVOZAPGYSD-UHFFFAOYSA-N 428.279 3.798 0 40 IHAB C[C@@H](Sc1nnc(-c2ccccc2Br)n1N)C(=O)N(C)c1ccccc1 9790900 UQIWIFUSFQSEJT-GFCCVEGCSA-N 432.347 3.565 0 40 IHAB C[C@H]1CCN(C(=O)CN2C(=O)N[C@@](C)(c3cc(F)ccc3F)C2=O)c2ccccc2S1 9910341 MFAKDDTYHHXEGJ-XMHCIUCPSA-N 445.491 3.649 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c(C)c1 10447202 IXBNIHCSCATDPQ-CQSZACIVSA-N 438.933 3.618 0 40 IHAB O=C(OCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1C(=O)c1ccccc1 11024662 BTHWACIKTISEBZ-UHFFFAOYSA-N 446.478 3.562 0 40 IHAB Cc1ccc([C@H](NC(=O)CSc2nnnn2Cc2ccco2)c2cccs2)cc1 11681191 RPATVRJGOLKNHA-IBGZPJMESA-N 425.539 3.682 0 40 IHAB COc1ccc(-n2nc3c(c2NC(=O)Cc2cccc4ccccc24)C[S@](=O)C3)cc1 11726345 IDFAQOOAHWSNFG-WJOKGBTCSA-N 431.517 3.978 0 40 IHAB COc1ccc(CN2C(=O)c3cccc(N4CCN(Cc5ccc(C)o5)CC4)c3C2=O)cc1 12243113 AVYDLXAHMJANIO-UHFFFAOYSA-N 445.519 3.715 0 40 IHAB CC(C)[C@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)NCc1ccccn1 12322229 XAOXHPXOXWQZFF-FQEVSTJZSA-N 433.537 3.553 0 40 IHAB CC1(C)C[C@@H]([C@@H](CCNC(=O)CN2C(=O)c3ccccc3C2=O)Cc2ccccc2)CCO1 12662040 FFFLGCIQNOKFSM-SFTDATJTSA-N 448.563 3.853 0 40 IHAB biogenic CC(C)c1ccc(-c2csc(NC(=O)C3=NN(c4ccccc4)[C@@H](C(N)=O)C3)n2)cc1 12739356 IUUURCIGKLVRQV-HXUWFJFHSA-N 433.537 3.992 0 40 IHAB O=C(CSc1nnc(-c2ccccc2F)n1CCc1ccccc1)NC[C@@H]1CCCO1 12743714 NTWFDMVXBKILCR-SFHVURJKSA-N 440.544 3.714 0 40 IHAB O=C(NC1CCN(C(=O)Nc2ccccc2)CC1)c1nn(-c2ccc(F)cc2)c2c1CCC2 12811781 CISQGDWSSJFHQN-UHFFFAOYSA-N 447.514 3.926 0 40 IHAB Cc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Br)s2)c(C)c1 12923541 MWFUJNZMLMAYHF-CQSZACIVSA-N 443.388 3.919 0 40 IHAB CCN(CC(=O)Nc1cc(C)c(Cl)cc1OC)CC(=O)Nc1c(F)cccc1F 13040236 XQGXTMXCIGGQIE-UHFFFAOYSA-N 425.863 3.834 0 40 IHAB CC[C@@H](c1nnnn1CCOC)N(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 13064755 OEQNPOZGFJVOHU-QFIPXVFZSA-N 438.576 3.674 0 40 IHAB CC1CCN(C(=O)CSc2nc3ccccc3n2CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 13082964 KYWWBWNJDHESBL-OALUTQOASA-N 442.629 3.891 0 40 IHAB C[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)N1CCN(Cc2ccccc2)CC1 13114887 VXJXVXNXPFGXMN-IBGZPJMESA-N 447.608 3.970 0 40 IHAB CCCCN(C(=O)CNC(=O)c1ccco1)[C@@H](C(=O)NC1CCCCC1)c1ccccc1 13507789 NUJAKPDQXUDTEK-HSZRJFAPSA-N 439.556 3.828 0 40 IHAB COc1ccc(C2=NO[C@@](CC(=O)O)(C(=O)Nc3cccc(Cl)c3C)C2)cc1OC 13593549 ANLXDQFISAFQTG-NRFANRHFSA-N 432.860 3.642 0 40 IHAB O=C(CSc1n[nH]c(=O)n1C1CC1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 13637488 FVBQGUKBBOKVOR-MRXNPFEDSA-N 443.916 3.623 0 40 IHAB COc1ccc(-c2nc(CC(=O)Nc3ccc(Cn4cncn4)cc3)cs2)cc1OC 13719089 KLBOQYJMHZVENZ-UHFFFAOYSA-N 435.509 3.648 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)NCc2ccco2)cc1)C1=Cc2cc(Cl)ccc2OC1 14109262 YRTWLNXTGBHUTM-UHFFFAOYSA-N 444.896 3.826 0 40 IHAB O=C(CCCn1c(=O)oc2ccccc21)Nc1cccc(-c2nnc3n2CCCCC3)c1 15379612 XEBVBKWXVFEGGI-UHFFFAOYSA-N 431.496 3.998 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)ccc1OC 15599611 WNHWGBIEXMKDSY-UHFFFAOYSA-N 430.448 3.997 0 40 IHAB CC(C)C(=O)Nc1ccc(NS(=O)(=O)c2ccc(Br)c(C(=O)O)c2)cc1 16122047 WLRVHXGIEYEJAW-UHFFFAOYSA-N 441.303 3.543 0 40 IHAB COc1ccc(Br)cc1COC(=O)COc1ccc(N2CCCC2=O)cc1 16465671 AXMYHWQJGKGOQJ-UHFFFAOYSA-N 434.286 3.707 0 40 IHAB O=C(c1ccc(-c2ccccc2Cl)o1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 16494523 FDQSADNLMKNUBF-UHFFFAOYSA-N 444.940 3.888 0 40 IHAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc(Cl)c1OC 16688301 UGOQYXAZGPWDMU-LICLKQGHSA-N 443.887 3.587 0 40 IHAB COc1ccccc1NC(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 17094489 RGLYIWIPRYMSGL-UHFFFAOYSA-N 425.510 3.860 0 40 IHAB COc1ccc(CCNC(=O)c2ccc3c(=O)n(-c4ccccc4)c(S)nc3c2)cc1 17154747 RHVBUJCNXPPHQA-UHFFFAOYSA-N 431.517 3.656 0 40 IHAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1sc(-c2ccccc2)nc1C 17345212 RATMQSRFHYMOAZ-UHFFFAOYSA-N 431.539 3.630 0 40 IHAB Fc1ccc(-c2cnc3c(c2)[C@H](N2CCOCC2)n2nc(-c4ccncc4)nc2S3)cc1 19336708 SMLHDIOIKQAMSV-JOCHJYFZSA-N 446.511 3.885 0 40 IHAB CCCn1cc(C(=O)N2CCC(n3cnc4sc(C)c(CC)c4c3=O)CC2)c(C)n1 19526031 HUCUVMOKJGEMCQ-UHFFFAOYSA-N 427.574 3.721 0 40 IHAB CCN(CC)C(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)[C@@H]2CCCO2)C1 19526172 VPLJGNVLHMKKIV-JYFHCDHNSA-N 435.568 3.557 0 40 IHAB COc1ccc(-c2ccc(C[C@@H]3CN(C(=O)c4ccncc4)CCN(C)C3=O)cc2)cc1 19589394 HHUYKDUGGHNIJB-HSZRJFAPSA-N 429.520 3.530 0 40 IHAB COCc1ccc(C(=O)N2CC[C@@H](c3nc(N(C)C)ncc3-c3ccc(OC)cc3)C2)cc1 19695018 TZIKKLUANUYNSU-OAQYLSRUSA-N 446.551 3.994 0 40 IHAB CCC(=O)Nc1cc(S(=O)(=O)N[C@@H](C)c2ccc(Br)cc2)ccc1OC 20025220 IYERQNXGAYFBPH-LBPRGKRZSA-N 441.347 3.846 0 40 IHAB CCOC(=O)c1c(NC(=O)CN2CCN(C)CC2)sc(Cl)c1-c1ccc(C)cc1 22036983 BDHQUDOOGTZEJK-UHFFFAOYSA-N 435.977 3.740 0 40 IHAB Cc1ccc(OCc2nc(CC(=O)OCC(=O)N3CCc4sccc4C3)cs2)cc1 22135801 DLEQMOMTGXCJFG-UHFFFAOYSA-N 442.562 3.763 0 40 IHAB Cc1ccc(OCCNC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1 22280049 WBAKUCJWGTXTNE-UHFFFAOYSA-N 438.549 3.694 0 40 IHAB C[C@H](NC(=O)COC(=O)COc1ccc2c(c1)CCC(=O)N2)c1cccc2ccccc12 22520547 DORIPQSESDFUCG-INIZCTEOSA-N 432.476 3.524 0 40 IHAB COc1c(Br)cc(Cl)cc1S(=O)(=O)Nc1cc(C(=O)O)ccc1C 24249932 QNOFJGUQXXDOSD-UHFFFAOYSA-N 434.695 3.919 0 40 IHAB CC(C)(C)SCCNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 24607345 KGBWQWGEPRXZSZ-UHFFFAOYSA-N 433.039 3.530 0 40 IHAB CCN(CC(=O)NCc1cccs1)C(=O)CSc1nc(C)c(C)n1C1CCCC1 24828942 VPOLZSNNZVMHIO-UHFFFAOYSA-N 434.631 3.934 0 40 IHAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc(N2CCOCC2)n1CC(C)C 32741870 WXFOCYLBVHBVPN-INIZCTEOSA-N 427.574 3.924 0 40 IHAB CSCC[C@@H](NC(=O)C[C@H]1Sc2ccccc2NC1=O)c1nc2ccccc2[nH]1 32843743 FPBOXHFNXNWQMM-SJLPKXTDSA-N 426.567 3.976 0 40 IHAB Cc1ccccc1OCC(=O)Nc1cccc(OCc2cc(=O)n3cccc(C)c3n2)c1 33268570 UAHYBYPIFPGDLG-UHFFFAOYSA-N 429.476 3.908 0 40 IHAB Cc1oc(-c2cccs2)nc1CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 36385456 WCGHGWWNACIXKZ-UHFFFAOYSA-N 444.003 3.933 0 40 IHAB CCc1ccc(-c2nn(CC)c(=O)c3c2CCCC3)cc1S(=O)(=O)N1CCCC[C@H]1C 46027717 FNTIDUSAQWPQOT-QGZVFWFLSA-N 443.613 3.935 0 40 IHAB COc1cc(CNC[C@H](O)CN2CCCC2)ccc1OCc1ccc(Br)cc1 48314617 FUMQTOHXAHTTQX-FQEVSTJZSA-N 449.389 3.583 0 40 IHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@@H]2CCN(Cc3ccccc3)C2)nc1 48362515 UVVOTHYDDUZDBR-OAQYLSRUSA-N 436.581 3.983 0 40 IHAB C[C@H](N[C@@H](c1ccccc1)c1ccc(Cl)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 58169863 IVXXXFMEIIPONZ-BTYIYWSLSA-N 443.956 3.694 0 40 IHAB CCOc1cccc2c1OCC(C(=O)N[C@@H]1CCN(c3cc(Cl)ccc3OC)C1)=C2 58341645 ILMJFYWXBMJZQX-GOSISDBHSA-N 428.916 3.918 0 40 IHAB COc1cc(NC(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)c(C(=O)N(C)C)cc1OC 60300416 IYTJOSYSUWTJLB-GJZGRUSLSA-N 447.329 3.910 0 40 IHAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccc3[nH]c(-c4cccc(F)c4)nc3c1)C2=O 69980512 VHKNOSQZLCKARV-SHACYNPGSA-N 449.486 3.808 0 40 IHAB CCc1noc(-c2ccnc(-n3cnc(C(=O)NCc4ccccc4C(F)(F)F)c3)c2)n1 71768528 BIYCTGMAVKXLLE-UHFFFAOYSA-N 442.401 3.829 0 40 IHAB O=C(NCc1nc2ccccc2s1)c1n[nH]c2ccc(I)cc12 72302744 DGSZEUHYGATQKR-UHFFFAOYSA-N 434.262 3.707 0 40 IHAB CC(=O)Nc1cc(NC(=O)NC[C@@H]2[C@@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)ccc1C 72314446 FIRCOTVNRJEDPO-RDTXWAMCSA-N 434.537 3.835 0 40 IHAB CS(=O)(=O)c1ccc(CN2CCOC[C@H]2c2nc(-c3ccc(Cl)s3)c[nH]2)cc1 72321987 MMSSJUWKZMHKRG-INIZCTEOSA-N 437.974 3.769 0 40 IHAB biogenic,in-vitro CN1CCN(C(=O)c2ccc3c(c2)ncn3C)[C@H](Cc2ccccc2-c2ccccc2)C1=O 72351592 HXSHPBHLVDCAIP-RUZDIDTESA-N 438.531 3.766 0 40 IHAB Cc1cc(C)nc(Nc2cncc([C@@H]3CCCN3S(=O)(=O)c3ccc(C)c(C)c3)n2)n1 72376384 LUDBXVMVMYENTP-FQEVSTJZSA-N 438.557 3.770 0 40 IHAB Cc1nn(C)c(Oc2cccnc2)c1NS(=O)(=O)Cc1cccc(C(F)(F)F)c1 79061475 QFODSENCXJMSQK-UHFFFAOYSA-N 426.420 3.877 0 40 IHAB COc1ccc(C(=O)N2CCN(Cc3cccc4ccccc34)CC2)nc1Br 96005978 CUYDIENHDUEURO-UHFFFAOYSA-N 440.341 3.964 0 40 IHAB O=C(NCCCc1nc2ccccc2[nH]1)c1c[nH]c2ccc(OC(F)(F)F)cc2c1=O 96118725 XWUFOFGJTXEUGV-UHFFFAOYSA-N 430.386 3.666 0 40 IHAB Cc1nn(CC(=O)Nc2ccc3c(c2)C(=O)N(C)c2cccnc2S3)c(C)c1Cl 96231560 DRCGFAZFYAKKCJ-UHFFFAOYSA-N 427.917 3.928 0 40 IHAB CC(C)N1CCc2c(nc3cc([C@H]4CCCCN4C(=O)c4ccc(F)cc4)nn3c2O)C1 100234029 ZRACVTFOYNRASJ-OAQYLSRUSA-N 437.519 3.708 0 40 IHAB COc1ccc(OC)c([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccccc2)c1 102734985 VQCOQBCTHBUVPH-YTFSRNRJSA-N 448.450 3.894 0 40 IHAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 219257082 NEDYZUXXEGUZFC-GOSISDBHSA-N 448.610 3.876 0 40 IHAB CC[C@@H](C(=O)Nc1ccc(F)c(F)c1)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 222495352 NDGFXRVRCJTENK-HNNXBMFYSA-N 432.876 3.810 0 40 IHAB CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccccc1F 223030909 BQAJRGJZGRZBKQ-AWEZNQCLSA-N 437.309 3.520 0 40 IHAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1cc(OC)cc(OC)c1 223031032 NSZRROAGFKKLGJ-IBGZPJMESA-N 442.556 3.725 0 40 IHAB Cc1cc(S(=O)(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)ccc1N1CCCC1=O 223790063 MROZBEWULFEFKU-UHFFFAOYSA-N 441.553 3.549 0 40 IHAB Cc1cc(C)cc(OCCNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)c1 224064161 RVDOTPJEYSFEJL-UHFFFAOYSA-N 445.368 3.571 0 40 IHAB CN(c1ccc(C(=O)NCCCOC2CCCCC2)cc1)S(=O)(=O)c1ccccc1 224179710 YYVMCXOZLCTZJG-UHFFFAOYSA-N 430.570 3.981 0 40 IHAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-n3cnnc3)c2C)cc1 224195807 DBDONLINHFSYAI-VXKWHMMOSA-N 429.553 3.888 0 40 IHAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCc1ccc(OC)c(OC)c1 225097044 KUXIRPYGSMJVLM-OAQYLSRUSA-N 426.557 3.970 0 40 IHAB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc[nH]2)cc1Cl 225233606 TWJHKKFYXAUANK-UXHICEINSA-N 441.944 3.825 0 40 IHAB COc1cc(NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)c(OC)cc1Cl 408601468 AAZCKSNEBRVPQX-UHFFFAOYSA-N 447.340 3.724 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1ccc(Cl)cc1Cl 408605405 KBXASKVBCQOTDM-SECBINFHSA-N 437.732 3.961 0 40 IHAB COc1cc([C@@H]2NC(=O)NC(C)=C2C(N)=O)cc(Cl)c1OCc1ccc(Cl)cc1 408841745 KOZFGCUXOSRDDM-KRWDZBQOSA-N 436.295 3.694 0 40 IHAB C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)c3ccccc32)CCN1C(=O)[C@H]1CCC(=O)c2ccccc21 500064726 IFXHSJSRWYHCLX-ZQMYSKGWSA-N 444.531 3.566 0 40 IHAB CN[C]1CCN(C(=O)c2ccc(Nc3ncc(F)c(-c4cnc(C)n4C(C)C)n3)cc2)C1 1560406134 ZTQZWTLZVDIHRW-UHFFFAOYSA-N 436.515 3.709 0 40 IHAB Cc1nc(-c2ccc(S(=O)(=O)NC[C@@H](O)c3ccc(-c4cccs4)o3)cc2)co1 1775966955 WHWBHWVWBXSPDI-QGZVFWFLSA-N 430.507 3.983 0 40 IHAB Cc1ccc(Cl)cc1N1C(=O)N(CC(=O)NC2CCCC2)c2ccccc2S1(=O)=O 1889139177 ALMARCTVEXWDBP-UHFFFAOYSA-N 447.944 3.843 0 40 IHAB C[C@]12CCN(c3ncnc4[nH]cnc34)[C@H]1CCC(=O)N2Cc1ccc(C(F)(F)F)cc1 2037844099 OGAVAXWWTGLRPY-YWZLYKJASA-N 430.434 3.532 0 40 IHAB O=C(NC1CCCCC1)[C@@H]1C[C@@]2(CO1)CN(Cc1cccc(C(F)(F)F)c1)CCO2 2056226034 IGALZFSUUMOTFF-FPOVZHCZSA-N 426.479 3.514 0 40 IHAB COc1ccc(NC(=O)CSc2nc(N)c3c4c(sc3n2)COC(C)(C)C4)cc1 1828960 GTBVAIGNYZJQHG-UHFFFAOYSA-N 430.555 3.864 0 40 IHAB O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)NC(=O)NCc1ccccc1 2631568 JYCUWNHNAURAJJ-UHFFFAOYSA-N 447.520 3.705 0 40 IHAB O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O)OCC(=O)c1ccc(-c2ccccc2)cc1 4207992 VVXDFAVNPAJNEX-GKIBHXGMSA-N 431.488 3.501 0 40 IHAB O=C(NCCCN1CCCC1=O)c1cn(Cc2ccccc2Cl)nc1-c1ccccc1 9052451 UCFFFWSOCMNHQC-UHFFFAOYSA-N 436.943 3.994 0 40 IHAB Cc1cccc(Cn2c(=O)c3c(nc4n3C[C@@H](C)CN4c3ccc(C)c(C)c3)n(C)c2=O)c1 9089079 QTPBEVBUYSNTHQ-KRWDZBQOSA-N 443.551 3.658 0 40 IHAB COc1ccc(S(=O)(=O)c2cn(C)c3cc(N4CCC[C@H](C)C4)c(F)cc3c2=O)cc1 9119269 OFQDABCMUSDQJD-HNNXBMFYSA-N 444.528 3.755 0 40 IHAB O=C(CSc1nc(-c2ccccc2)n[nH]1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 9217888 MLYHKSVRWBEVDC-UHFFFAOYSA-N 445.430 3.802 0 40 IHAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCCn3ccnc3)ccc2Cl)cc1C 9356026 RJNDDYKHWJAGMR-UHFFFAOYSA-N 446.960 3.774 0 40 IHAB COc1ccc2cc([C@]3(C)NC(=O)N(Cc4nc(-c5ccsc5)no4)C3=O)ccc2c1 9516375 AOJBMZOCNYOZGJ-QFIPXVFZSA-N 434.477 3.927 0 40 IHAB O=C(COc1ccc(Cl)cc1)NCCc1csc2nc(-c3ccc(F)cc3)nn12 9568960 YZPQFLUXCWUFRZ-UHFFFAOYSA-N 430.892 3.988 0 40 IHAB CC(C)Cn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)c1ccccc1 9699388 KUTHTSUEYJMVMW-UHFFFAOYSA-N 426.517 3.978 0 40 IHAB C[C@@H]1Sc2ccc(C(=O)Nc3cccc(S(=O)(=O)N4CCCCC4)c3)cc2NC1=O 9953733 HXAUSMIVNIRADB-AWEZNQCLSA-N 445.566 3.546 0 40 IHAB CCN(CC(=O)NC(C)C)C(=O)CSc1nnc(Nc2ccc(C(C)C)cc2)s1 9968440 OWZRXRVLRYCXEF-UHFFFAOYSA-N 435.619 3.870 0 40 IHAB CCCCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3cccc(C(C)=O)c3)nnc12 10052703 BRPZUSWJQDOUJI-UHFFFAOYSA-N 449.536 3.778 0 40 IHAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NCCCN3CCCC3)ccc2C)c1 10112488 FTRDPJRSSZQGIG-UHFFFAOYSA-N 429.586 3.628 0 40 IHAB CSC[C@@H](NC(=O)CCc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O)C(=O)O 11865648 SJKMGPBQAZRQMI-QGZVFWFLSA-N 431.510 3.638 0 40 IHAB biogenic COc1ccc(-c2cc3nc([C@H](C)NC(=O)[C@H]4Cc5cc(Cl)ccc5O4)nn3cn2)cc1 12085188 IHLUIRZYFWHROG-RNODOKPDSA-N 449.898 3.634 0 40 IHAB Cn1/c(=N\C(=O)CCS(=O)(=O)c2ccc(F)cc2)sc2c(Cl)ccc(Cl)c21 12237965 IZQBRABDWQKTGB-HEHNFIMWSA-N 447.340 3.977 0 40 IHAB O=C(N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F)c1ccccc1N1CCOCC1 12319782 YPEFQKIETPEKPH-HXUWFJFHSA-N 438.478 3.795 0 40 IHAB CCCn1c(SCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)nc2ccccc2c1=O 12567568 DFLJKOZNNMUMBZ-HNNXBMFYSA-N 436.537 3.663 0 40 IHAB CC(C)C[C@]1(c2ccccc2)NC(=O)N(CN2CCN(c3cccc(Cl)c3)CC2)C1=O 13098134 HEEBMMUBMLILHH-XMMPIXPASA-N 440.975 3.913 0 40 IHAB CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)c1ccccc1NC(=O)CSc1nnnn1C 13138189 RVLRAAOTKCFQBD-DAYGRLMNSA-N 431.562 3.559 0 40 IHAB COc1ccc([C@H](c2nnnn2C2CCCC2)N2CCN(c3ccccc3F)CC2)cc1 13503882 RCSHTERPLSNIKZ-HSZRJFAPSA-N 436.535 3.848 0 40 IHAB COc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCCCC1 15322097 RUEXWTJQDOCVBG-UHFFFAOYSA-N 438.933 3.541 0 40 IHAB O=C(CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1)N1CCSc2ccccc21 16422512 WLRVZAMZPSFAKR-UHFFFAOYSA-N 436.503 3.751 0 40 IHAB CCOC(=O)N1CCN([C@@H](c2cccc(Cl)c2)c2sc3nc(CC)nn3c2O)CC1 16690212 KBSYGJSFRKOHPK-INIZCTEOSA-N 449.964 3.576 0 40 IHAB Cc1ccc(CNC(=O)CCc2csc(NS(=O)(=O)c3ccc(F)cc3)n2)cc1 16848465 LWFMIWOVEYRCFQ-UHFFFAOYSA-N 433.530 3.640 0 40 IHAB CC(C)C(=O)N1CCCc2cc([C@@H](O)CN3CCN(c4ccc(F)cc4F)CC3)ccc21 19085749 VOLYKPDYNLRWGA-DEOSSOPVSA-N 443.538 3.756 0 40 IHAB COc1ccc(-c2cc3nc([C@H](C)NC(=O)[C@@H](C)Oc4ccc(C)cc4)nn3cn2)cc1 19210954 MXSVBRTYGGSAFB-DLBZAZTESA-N 431.496 3.753 0 40 IHAB CCCN1CCN(C(=O)c2ccn(C)n2)C[C@@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 19502748 NUWXFGHGHYRZKW-OAQYLSRUSA-N 448.542 3.780 0 40 IHAB CN(C(=O)c1c[nH]nc1C1CCN(C(=O)CCCc2ccccn2)CC1)c1ccccc1 19586760 KJJMTGUIAIFPAZ-UHFFFAOYSA-N 431.540 3.810 0 40 IHAB COc1ccc(CN2CCN([C@H](C)C(=O)Nc3ccc(C(C)C)cc3)CC2)cc1OC 19671323 ZLOYMIPWIQCMSA-LJQANCHMSA-N 425.573 3.972 0 40 IHAB Cc1c(C(=O)N2CCC[C@@H](c3nc(N(C)C)ncc3-c3ccc(Cl)cc3)C2)cnn1C 19693969 AYBSKHGWJNQXNT-QGZVFWFLSA-N 438.963 3.925 0 40 IHAB Cc1nc(CN(C)C(=O)CCc2ccc(F)cc2)nc2c1CCC(=O)N2CCC(C)C 19698071 USTFENONUPUCKV-UHFFFAOYSA-N 426.536 3.841 0 40 IHAB CC(=O)N1CCc2nc([C@H]3CCCN(C)C3)nc(NCCCc3ccccc3Cl)c2C1 19711309 GBSHXPOEQRECMA-IBGZPJMESA-N 442.007 3.889 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(F)c(F)c2)C1 20017456 RNBRSPPMYSVJSV-GFCCVEGCSA-N 444.887 3.666 0 40 IHAB Cc1ccc([C@H](NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)c2ccccc2)cc1 20105022 NLJKUKSKOKCCKQ-HSZRJFAPSA-N 426.513 3.806 0 40 IHAB CCCC[C@H](c1nnnn1Cc1ccc(OC)cc1)N1CCN(C2CCCCC2)CC1 20141370 GKQWBTJJVDIPRO-HSZRJFAPSA-N 426.609 3.912 0 40 IHAB CC(C)N(C(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1)C(C)C 21602782 OLUPWJCLMVSQCH-SFHVURJKSA-N 446.569 3.702 0 40 IHAB CCc1nn2c(=O)cc(CNc3ccc(C(=O)Nc4ccc(OC)cc4)cc3)nc2s1 21698360 FABZQNXUUWQBBL-UHFFFAOYSA-N 435.509 3.586 0 40 IHAB CCOc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C(=O)OC[C@@H]3CCCO3)c2)cc1 25397199 QHNHWINHNNEVEZ-IBGZPJMESA-N 433.526 3.555 0 40 IHAB CCOc1ccc(NC(=O)COc2ccc(S(=O)(=O)N(CC)CC)cc2Cl)cc1 28208192 HNYFDQFZEQHJIA-UHFFFAOYSA-N 440.949 3.787 0 40 IHAB O=S(=O)(c1cccc(NCc2ncc(-c3ccc(Cl)cc3)o2)c1)N1CCOCC1 29398703 NBXYQKJCXVJGNG-UHFFFAOYSA-N 433.917 3.628 0 40 IHAB Cc1nn(C[C@H](O)c2ccc(Cl)cc2)c(C)c1S(=O)(=O)N1CCc2ccccc21 31561157 BXMRHBWCGLYLPE-FQEVSTJZSA-N 431.945 3.638 0 40 IHAB O=c1c2cnn(-c3cccc(C(F)(F)F)c3)c2ncn1Cc1noc(-c2cccs2)n1 32789488 JWFIOMNURWKMQZ-UHFFFAOYSA-N 444.398 3.761 0 40 IHAB CC(C)n1c(SCC(=O)N[C@@H](c2ccccc2)c2nccn2C)nc2ccccc2c1=O 32871714 GNYGGMHCPIXOQW-NRFANRHFSA-N 447.564 3.709 0 40 IHAB COc1ccccc1Nc1nc2sc(C(=O)NCCNC(=O)c3ccco3)cc2s1 32928419 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IHAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2Cc2ccccn2)N1Cc1ccccn1 223550902 HJMOBPYMTUZQGC-GOTSBHOMSA-N 426.549 3.894 0 40 IHAB COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1F 223731190 CMPNZPYEKOOWGT-FCHUYYIVSA-N 438.528 3.937 0 40 IHAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)N(C)Cc3ccccc3)cc2)cc1 224436390 XPZRVFPABZXQRZ-UHFFFAOYSA-N 438.549 3.788 0 40 IHAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccccc3F)cc2C)cc1 224498299 DWYZKRITSWMJIO-UHFFFAOYSA-N 442.512 3.898 0 40 IHAB COc1ccc(N(CCCC(=O)Nc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)cc1 224974463 XGUDNOREDNIIRJ-UHFFFAOYSA-N 445.585 3.870 0 40 IHAB Cc1ccc(-c2nnc(NC(=O)c3cc(S(=O)(=O)N4CCCC4)ccc3C)s2)cc1 225650164 JMWCWWRQALYQEP-UHFFFAOYSA-N 442.566 3.859 0 40 IHAB CN(Cc1ccccc1)C(=O)CCc1nc(-c2ccc(I)cc2)no1 225839383 LQPVYIHPDSCXGW-UHFFFAOYSA-N 447.276 3.932 0 40 IHAB CC(=O)N1CCC(C(=O)N2CCC[C@](C)(c3ncc(Cc4ccccc4F)o3)C2)CC1 257215425 CQASOQVHANQKMU-DEOSSOPVSA-N 427.520 3.543 0 40 IHAB COc1ccc(OCCN2CC[C@@H](c3c(C(=O)N(C)C)sc4ncccc34)C2)cc1 257216707 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COc1ccc(-c2cc3ncn(CC(=O)N[C@H]4CCOc5ccccc54)c(=O)c3s2)cc1 9465786 VEKXPENCDQKCEX-SFHVURJKSA-N 447.516 3.774 0 40 IHAB O=S(=O)(Nc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCC2)c1ccc(F)cc1 9569484 CXOBPYTYXPQAFW-UHFFFAOYSA-N 446.525 3.768 0 40 IHAB O=C(CCCn1c(=O)c2ccccc2n(Cc2ccc(Cl)cc2)c1=O)NC1CCCC1 9616937 RMILBQQCYFBPFZ-UHFFFAOYSA-N 439.943 3.704 0 40 IHAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)c1 9690617 ZRCJHWSCGANKKZ-UHFFFAOYSA-N 446.511 3.841 0 40 IHAB O=C(CSc1nnnn1-c1cccc(F)c1)N[C@H](c1ccc(F)cc1)c1cccs1 9868248 HTRUSEBHEPDDKC-LJQANCHMSA-N 443.504 4.000 0 40 IHAB COc1ccc(OC)c(C(=O)CSc2nc3ccccc3c(=O)n2C[C@@H]2CCCO2)c1 9949602 DGECLROXRARGKY-INIZCTEOSA-N 440.521 3.568 0 40 IHAB CCOc1ncc(C2(O)CCN(Cc3cccc(C(F)(F)F)c3)CC2)c(OCC)n1 12186400 XZWDEROLAMDBBO-UHFFFAOYSA-N 425.451 3.776 0 40 IHAB O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 12526036 CFGQMEXQDBQPPY-UHFFFAOYSA-N 449.576 3.882 0 40 IHAB CN(C)S(=O)(=O)c1cccc(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)c1 12906805 PSEVUPSBJSTSFR-LJQANCHMSA-N 432.592 3.848 0 40 IHAB CN(C)[C@@H](CNC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1)c1cccc(F)c1 12911332 QBTDOTAQCIAHRN-QHCPKHFHSA-N 445.494 3.655 0 40 IHAB COc1ccccc1C(=O)N[C@H](CCSC)C(=O)NCCCSc1ccccc1 12982225 NCFXAMQSYIPRDN-LJQANCHMSA-N 432.611 3.845 0 40 IHAB O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc2c(c1)Cc1ccccc1-2 12988452 VMQGCIBGTXSQOE-UHFFFAOYSA-N 435.501 3.832 0 40 IHAB COC(=O)c1ccc([C@@H]2c3c(C)n[nH]c3C(=O)N2CCc2c[nH]c3ccc(OC)cc23)cc1 13570512 CRWZVXWRRCVYGB-HSZRJFAPSA-N 444.491 3.783 0 40 IHAB O=C(CSC(=S)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)Nc1cccc(Cl)c1 13572149 JMECQACYUWGAIW-KGLIPLIRSA-N 433.986 3.578 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)ccc2Cl)cc1 13628042 BFPJJNKRFHRPIM-QGZVFWFLSA-N 429.325 3.794 0 40 IHAB Cn1cc(/C=C(\NC(=O)c2ccccc2F)C(=O)NCc2ccccn2)c2ccccc21 13733228 CUUBXAWVOJFZHV-HMAPJEAMSA-N 428.467 3.800 0 40 IHAB COc1ccc(NC(=O)NCCCn2nc(-c3ccc(Cl)cc3)ccc2=O)c(OC)c1 13801737 ADCRPDLOOZNXTB-UHFFFAOYSA-N 442.903 3.793 0 40 IHAB CCOC(=O)c1c(NC(=S)N2CCN(c3ccccn3)CC2)sc2c1CCCC2 13830396 IREMZEYWEHDIGP-UHFFFAOYSA-N 430.599 3.718 0 40 IHAB CCS(=O)(=O)N(CC(=O)Nc1c(Cl)cccc1Cl)c1ccc2c(c1)OCO2 14397804 VMANCGHFJXPROP-UHFFFAOYSA-N 431.297 3.517 0 40 IHAB CCCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc4c(c3)CCCC4)cc21 15781403 HUNDIKTXZNRLRT-UHFFFAOYSA-N 448.610 3.859 0 40 IHAB O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN21 16034737 YVZCMKFNYMEDKU-AFXVXQJMSA-N 439.446 3.587 0 40 IHAB CCOC(=O)CN1CCc2cc(OC)c(OC)cc2[C@H]1c1cc(Cl)ccc1NC(C)=O 16682806 CPANQBZONBDINE-QHCPKHFHSA-N 446.931 3.826 0 40 IHAB CCCN(CCC)c1sc(S(C)(=O)=O)nc1S(=O)(=O)c1ccc(Cl)cc1 17271693 AOQCAEIQJCUJGR-UHFFFAOYSA-N 437.008 3.659 0 40 IHAB Cn1cc(Cl)c(C(=O)N2CCC(c3nc(NC4CC4)ncc3-c3ccncc3)CC2)n1 19289992 POORGMWJVJRICM-UHFFFAOYSA-N 437.935 3.520 0 40 IHAB NC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)Cc2cccc(F)c2)C1 19348304 IQJINVYDLIGAFQ-SANMLTNESA-N 431.511 3.767 0 40 IHAB CCN1CCN(C(=O)c2snnc2C)C[C@H](Cc2cccc(-c3ccccc3)c2)C1=O 19527503 DTKVLEFTFMEEJO-NRFANRHFSA-N 434.565 3.677 0 40 IHAB COc1ccc(CN2CCN(C)C(=O)[C@@H](Cc3cccc(-c4cccnc4)c3)C2)cc1OC 19589545 HNHOUBHYCWGBRF-DEOSSOPVSA-N 445.563 3.899 0 40 IHAB O=C(CNC(=O)N1CCc2c([nH]c3ccccc23)C1)NCCc1ccc(Cl)cc1Cl 20744858 DAEBRTPQIADPKF-UHFFFAOYSA-N 445.350 3.901 0 40 IHAB biogenic CCC[C@@H]1N=C2c3ccccc3N=C(SCC(=O)NCc3ccc(OC)cc3)N2C1=O 21643789 GOYCTBGLRSURCH-IBGZPJMESA-N 436.537 3.503 0 40 IHAB CCn1cc(C(=O)Nc2ccc(I)cc2)c(=O)c2cc(OC)ccc21 22235765 GKIHVOGDWKOLKR-UHFFFAOYSA-N 448.260 3.887 0 40 IHAB CC(C)Oc1ccc(N(CC(=O)Nc2ccc(Br)cc2)S(C)(=O)=O)cc1 22380525 QLAYZVNRVMWUDI-UHFFFAOYSA-N 441.347 3.641 0 40 IHAB CCOc1cccc(CNC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)c1 22429081 VAFWUWQISZQNCD-UHFFFAOYSA-N 442.512 3.736 0 40 IHAB O=c1c2c(-c3cccs3)csc2nc(CN2CCOCC2)n1C[C@H]1CCCCO1 24602034 FBPQRLSJHHEMJC-OAHLLOKOSA-N 431.583 3.588 0 40 IHAB Cc1ccc(CCC(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)cc1Cl 25906229 PQPQHGWWOGEAOR-UHFFFAOYSA-N 426.991 3.612 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1ccc(S(=O)(=O)N(C)C(C)C)cc1 26783282 LGEQWNGPISWTAH-UHFFFAOYSA-N 440.569 3.699 0 40 IHAB C[C@@H]1Oc2ccc(NC(=O)c3cc(=O)c4cc(Br)ccc4o3)cc2NC1=O 28290731 TVWHPRRAIZENOZ-VIFPVBQESA-N 429.226 3.527 0 40 IHAB CN1CCC2(CC1)C[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)c1ccccc1O2 31583807 AWXQVUPFELIPBB-KRWDZBQOSA-N 440.487 3.972 0 40 IHAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)n2nnc(-c3cccc(C(F)(F)F)c3)n2)c1 31684289 DEECORDIQBGVPM-OLZOCXBDSA-N 449.433 3.815 0 40 IHAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N3CCC[C@H]3c3nnc4ccccn34)c12 32888492 UVVQOFOYTPWIND-FQEVSTJZSA-N 437.507 3.964 0 40 IHAB O=C1CCCc2cc(S(=O)(=O)Nc3cccc(NC(=O)c4ccco4)c3)ccc2N1 32915922 GUHLAVVNWQGQSJ-UHFFFAOYSA-N 425.466 3.608 0 40 IHAB CCCNC(=O)c1ccccc1NC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C 33088701 BXEYYRNQVNEMTR-UHFFFAOYSA-N 449.532 3.884 0 40 IHAB CCc1ccc([C@H](CNC(=O)c2ccccc2SCC(=O)N2CCCC2)N(C)C)cc1 36062963 IFFRYGLNLARGOL-QFIPXVFZSA-N 439.625 3.996 0 40 IHAB COc1ccc(-c2csc3c(=O)n(CC(=O)Nc4ccc5c(c4)OCO5)cnc23)cc1 38487116 WKXZHYMSRVHNTH-UHFFFAOYSA-N 435.461 3.501 0 40 IHAB CCN(Cc1ccc(Br)s1)C(=O)C[C@H](NC(N)=O)c1ccccc1F 40071996 INLUXBJSCDASPM-AWEZNQCLSA-N 428.327 3.798 0 40 IHAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)Nc1ccc(Oc2ncccn2)cc1 40152444 WXLYVMUGPXGLMH-UHFFFAOYSA-N 443.389 3.523 0 40 IHAB Cc1ccc(OCc2cc(=O)n3c(ncn3C(C)C)n2)c(NC(=O)c2ccc(F)cc2)c1 41089797 LNLTVGCQLAFTOH-UHFFFAOYSA-N 435.459 3.751 0 40 IHAB CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)Cc2noc3ccccc23)cc1 45452496 SIMSIOLZMOYLKR-UHFFFAOYSA-N 427.526 3.962 0 40 IHAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 49590353 RFXKGEHXVFKYBC-XMMPIXPASA-N 444.531 3.593 0 40 IHAB COc1ccc(CNC(=O)N2CCN(c3c(C)nn(-c4ccccc4)c3C)CC2)cc1OC 56908024 KNJUMADTJXZPPQ-UHFFFAOYSA-N 449.555 3.538 0 40 IHAB COc1ccc(C)cc1NC(=O)Cn1cnc2c(cnn2-c2ccc(C(C)C)cc2)c1=O 57486499 KWJGNIZRGZXHMW-UHFFFAOYSA-N 431.496 3.661 0 40 IHAB CCOCCCNc1nc(-c2ccccn2)nc2c1CCN(Cc1ccc(OC)cc1)C2 57743658 MIUIBIDEPIIUMY-UHFFFAOYSA-N 433.556 3.944 0 40 IHAB COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)N=c1[nH]c3ccccc3[nH]1)C(=O)OC2 62001683 INJSROJHCWVBOR-MDWZMJQESA-N 435.480 3.586 0 40 IHAB biogenic O=c1c2sccc2n2c(=O)n(Cc3cccc(Cl)c3)nc2n1CCc1ccccc1 64946323 SSFONNXZNHXNEW-UHFFFAOYSA-N 436.924 3.817 0 40 IHAB CC[C@@H](C)n1c(SCC(=O)N[C@@H](C)c2cccc(OC)c2)nc2cc(C)[nH]c2c1=O 67299594 IZDZPOOUBVNHTC-CABCVRRESA-N 428.558 3.982 0 40 IHAB COc1ccc([C@H](C)NC(=O)Cn2c(C)cc3nc(SC)n(CC(C)C)c(=O)c32)cc1 67320144 CRPPTQGLYGNIMW-INIZCTEOSA-N 442.585 3.770 0 40 IHAB O=C(CNC(=O)Cc1cccc2ccccc12)NCc1ccc(OCc2ccccn2)cc1 71819917 ATEXTAAXGFAQJM-UHFFFAOYSA-N 439.515 3.789 0 40 IHAB CCNC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)c2ccn(C)n2)C1 72391200 QHEMEOORCAZOSD-XMMPIXPASA-N 436.581 3.750 0 40 IHAB CNC(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCCN(Cc2c(C)nn(C)c2OC)C1 72391310 GLOGUGHLVIQDRN-HHHXNRCGSA-N 446.595 3.975 0 40 IHAB Cc1nn(CC(C)C)cc1S(=O)(=O)N1CCC[C@@H]1c1ccnc2cc(C(C)(C)C)nn12 72391726 ONOYHLMCWXCPMO-QGZVFWFLSA-N 444.605 3.714 0 40 IHAB O=C1c2cc(NS(=O)(=O)Cc3cc(F)cc(F)c3)ccc2OCC[C@H]2CCCCN12 77200953 DCTBBVMUSMMPPI-GOSISDBHSA-N 436.480 3.684 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(CCCC(=O)O)cc2)cc1Br 95442906 BXDLBGIIUJMGRC-UHFFFAOYSA-N 428.304 3.666 0 40 IHAB O=C(CCn1cnc2ccccc2c1=O)Nc1ccccc1Cc1nc(-c2ccco2)no1 96357682 FNQUPHUWDMTCJI-UHFFFAOYSA-N 441.447 3.659 0 40 IHAB C[C@@H](OC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O)C(=O)c1ccccc1 100638066 VDRFPLUIQRTPGT-JWRWXFKNSA-N 441.483 3.672 0 40 IHAB COc1ccc(-c2noc(-c3cccc(N4C(=O)[C@H]5[C@H]6CC[C@@H](C6)[C@H]5C4=O)c3)n2)cc1OC 101099496 PPTLNUMESRNWKF-MFRYECHYSA-N 445.475 3.956 0 40 IHAB C[C@@H](NC(=O)COC(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1)c1ccccc1 138711208 VECCFZPPEMVMEW-HIFRSBDPSA-N 435.307 3.767 0 40 IHAB C[C@H](C(=O)Nc1cccc(Br)c1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220443175 ZQOAYNUVTXGKFK-SNVBAGLBSA-N 433.274 3.521 0 40 IHAB Cc1ccc(C(=O)NCCSCc2c(F)cccc2Cl)cc1N(C)S(C)(=O)=O 222452707 AOYZLEGBNSKHFA-UHFFFAOYSA-N 444.981 3.847 0 40 IHAB COC(=O)c1cccc(NC(=O)c2cccc(N(C)S(=O)(=O)c3ccc(C)cc3)c2)c1 222547968 LXZNOMAVVDKWBS-UHFFFAOYSA-N 438.505 3.859 0 40 IHAB COc1ccc(-c2noc(CNC(=O)[C@@H]3CCCN(Cc4ccccc4Cl)C3)n2)cc1 222595941 HWHVJJIWYIOPAH-GOSISDBHSA-N 440.931 3.927 0 40 IHAB COc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1 223065528 PWJZKEYTBASKFR-DOTOQJQBSA-N 436.961 3.627 0 40 IHAB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(C(=O)O)cc1 223066826 FCNOZXSYVZZPIE-SFTDATJTSA-N 436.537 3.580 0 40 IHAB CCCCN1C(C)=NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc(OC)cc3)ccc21 223118925 NEBOTQJTTYCVKU-OAHLLOKOSA-N 429.542 3.913 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3ccc4c(c3)CCC4)CC2)cc1 223257735 OJTPVVUBZYQOTC-SFHVURJKSA-N 426.582 3.762 0 40 IHAB CCC(=O)N(Cc1ccc(OC)cc1)[C@H](Cc1ccccc1)C(=O)NCc1cccnc1 223264807 HOQZXIMKXTYJIK-XMMPIXPASA-N 431.536 3.757 0 40 IHAB COCCCNc1ccc(C(=O)OC(C)C)cc1S(=O)(=O)Nc1ccc(OC)cc1 223426971 XQTBHFXBLZYVRQ-UHFFFAOYSA-N 436.530 3.510 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccccc3F)cc2)cc1OC 224085693 MJOHFCROQACMBL-UHFFFAOYSA-N 444.484 3.574 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NCCCc3ccco3)cc2)cc1 224429050 GQMSLXONVCAFEV-UHFFFAOYSA-N 426.538 3.771 0 40 IHAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCCN2CCC(C)CC2)cc1 224511874 OIILQPANQKAOSZ-XLNRJJMWSA-N 441.597 3.766 0 40 IHAB CCCSc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)s1 225381237 GROKCXBQWWJCHM-UHFFFAOYSA-N 447.007 3.730 0 40 IHAB CCn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CCC(=O)Nc1ccccc1OC 225676967 UOLZUVMQEHNGRD-PKTZIBPZSA-N 449.580 3.913 0 40 IHAB CCn1c(=O)sc2cc(S(=O)(=O)N[C@H]3CC(C)(C)Oc4ccc(C)cc43)ccc21 225697361 GLYITBYWUFSILC-INIZCTEOSA-N 432.567 3.972 0 40 IHAB O=C(Cn1ccc(=O)c2ccc(Cl)cc21)Nc1ccc(I)cc1 225734051 GWARPHGFUFBSGJ-UHFFFAOYSA-N 438.652 3.898 0 40 IHAB COC(=O)c1cc(S(=O)(=O)N[C@H]2CC(C)(C)Oc3ccc(OC)cc32)ccc1Cl 225810539 LNTPEACMNIPYHL-KRWDZBQOSA-N 439.917 3.716 0 40 IHAB Cc1c(Cl)cccc1N(CN1C(=O)[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)C(=O)C(F)(F)F 226401180 UOFDCAXNIFHUFR-OVWIKQPISA-N 438.833 3.554 0 40 IHAB CC(C)(NC(=O)COc1ccccc1)C(=O)N1CCC(Cc2cccc3cccnc23)CC1 257263406 LPUGCROPMLPEDE-UHFFFAOYSA-N 445.563 3.990 0 40 IHAB Cc1cc(-c2cncnc2)cc([C@@H]2CN(C(=O)CC3CC(C)(C)NC(C)(C)C3)CCO2)n1 257337077 YRGSKEPTCXYJFD-QFIPXVFZSA-N 437.588 3.694 0 40 IHAB O=C(c1cccc(Br)c1)N1CC[C@H](c2ccccc2F)S(=O)(=O)CC1 390826059 ANQYVGXDAPDQHG-QGZVFWFLSA-N 426.307 3.590 0 40 IHAB O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 408557186 LXRWFVCHOQEYHD-GOSISDBHSA-N 438.505 3.608 0 40 IHAB CC1=NN(C(=O)CCc2ccc3c(c2)OCO3)[C@](O)(c2ccc(Br)cc2)C1 408563879 ROYSHJWCFQCLQH-HXUWFJFHSA-N 431.286 3.564 0 40 IHAB CCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2N2CCN(C)CC2)cc1Cl 408569518 OJORIDZCIPTGBP-UHFFFAOYSA-N 431.920 3.529 0 40 IHAB C[C@H](CCc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 408598288 YUFPKCVDTGHJCL-HYBUGGRVSA-N 436.577 3.714 0 40 IHAB C[C@@H](CCc1ccccc1)NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 408615216 NMJMEAYEZTYBAV-AWEZNQCLSA-N 429.369 3.897 0 40 IHAB O=C(Nc1ccccc1C(=O)NCCCN1CCOCC1)c1ccc(Cl)c(Cl)c1 408616544 ZLLDJKLNWPQWQT-UHFFFAOYSA-N 436.339 3.698 0 40 IHAB Cc1cc(C)cc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4C3=O)cc2)c1 408656053 IIRWDRZSECQSQN-PTRHGPIFSA-N 446.503 3.634 0 40 IHAB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)Nc1cccc(Cl)c1Cl 409126402 OQWZBTYOPRUTOZ-NSHDSACASA-N 425.243 3.667 0 40 IHAB Cc1cc(Cl)ccc1NC(=O)CSc1nnc([C@@H](C)NC(=O)c2ccccc2)n1C 409139015 LGLVZKCTZYJEAP-CQSZACIVSA-N 443.960 3.999 0 40 IHAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 409197987 TWMLQHOIOVDJIV-ZDUSSCGKSA-N 430.448 3.800 0 40 IHAB CC(C)c1ccccc1NC(=O)CSc1nnc(CNC(=O)c2ccccc2F)n1C 409342286 BFHDSRDWJCFDLP-UHFFFAOYSA-N 441.532 3.738 0 40 IHAB CC(C)(Cc1nc2ccccc2[nH]1)C(=O)Nc1ccc(CCN2CCC(C(N)=O)CC2)cc1 541222825 KBZKUABEIAQSBL-UHFFFAOYSA-N 447.583 3.510 0 40 IHAB CC(C)(NC(=O)Cc1ccccc1)C(=O)N1CCC[C@H](Cc2cccc3nccn23)CC1 585261731 AZDPZZGYHGEEEY-NRFANRHFSA-N 432.568 3.643 0 40 IHAB Cc1cc(C)n(CCOc2cccc(CN3CCC[C@](O)(COc4ccccc4)C3)c2)n1 585272255 ROYOQLDPJLDGCM-AREMUKBSSA-N 435.568 3.985 0 40 IHAB COc1cc(CCC(=O)N2Cc3ccccc3NCC[C@H]3CC[C@@H](C2)N3C(C)C)on1 643576248 SIFOOCVSXQBJRV-UXHICEINSA-N 426.561 3.702 0 40 IHAB Cc1ccc(NC(=O)Cn2c(=O)n3nc(-c4ccc(F)cc4)nc3c3ccccc32)cc1 1889191432 OTBJTQUZVILHPJ-UHFFFAOYSA-N 427.439 3.797 0 40 IHAB O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)NCCC1=CCCCC1 983542 LPMWCDCCLJCMOU-UHFFFAOYSA-N 428.554 3.551 0 40 IHAB Cc1ccc([C@@]2(C(F)(F)F)N=C3Sc4cc(S(C)(=O)=O)ccc4N3C(=O)N2)cc1 3189318 UIUBOYHATMFTLG-KRWDZBQOSA-N 441.456 3.805 0 40 IHAB O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)N1CCc2sccc2[C@@H]1c1cccs1 8751226 DURSWYPXVHSYCM-LJQANCHMSA-N 441.509 3.940 0 40 IHAB COc1ccccc1NC(=O)CSc1nnc(NC(=O)c2c(F)cccc2F)s1 8822686 WTOFCTXDNHXSRN-UHFFFAOYSA-N 436.465 3.808 0 40 IHAB COc1ccc(N2C(=O)[C@@H]3ON(c4ccc(OC)cc4)[C@H](c4ccccc4)[C@H]3C2=O)cc1 9019669 MRIXZMITUCEVGP-DNVJHFABSA-N 430.460 3.755 0 40 IHAB O=C(CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)Nc1cccnc1Cl 9125475 QNDINIKCNMILBR-LBPRGKRZSA-N 435.962 3.965 0 40 IHAB Cc1ccc(NC(=O)CSc2nc3nccnc3c(=O)n2Cc2cccs2)cc1C 9405348 ILSQSDRWCHEOFT-UHFFFAOYSA-N 437.550 3.644 0 40 IHAB C[C@@H](Sc1nnnn1Cc1cccs1)C(=O)N1CCC(Cc2ccccc2)CC1 9534588 TZLPGHVHAIHLFW-MRXNPFEDSA-N 427.599 3.745 0 40 IHAB C[C@@H]1CN(C(=O)[C@@H](C)Sc2nc3ccccc3c(=O)n2Cc2ccccc2)C[C@@H](C)O1 9562344 KMYBOLKPMZNNDG-KZNAEPCWSA-N 437.565 3.561 0 40 IHAB Cc1cccc(-c2nc3scc(CCNC(=O)C(=O)Nc4cccc(Cl)c4)n3n2)c1 9569078 RQTONXLDRLXFTE-UHFFFAOYSA-N 439.928 3.717 0 40 IHAB C[C@H](Sc1nnc(NCc2ccco2)s1)C(=O)N1CCN(c2ccccc2)CC1 9606666 IUKXDIDOCWECHC-HNNXBMFYSA-N 429.571 3.573 0 40 IHAB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2cncc(Br)c2)c1 9715071 UGHPSGHYSHXLSK-UHFFFAOYSA-N 446.326 3.922 0 40 IHAB CCOc1ccccc1CCCNC(=O)[C@@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O 10111029 AXXQYJBPFCHTLZ-LJQANCHMSA-N 432.586 3.606 0 40 IHAB 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CNS(=O)(=O)c1cc(C(=O)NCC(C)(c2ccccc2)c2ccccc2)ccc1Cl 16176766 GHVCCMFXPSYDNK-UHFFFAOYSA-N 442.968 3.984 0 40 IHAB COC(=O)c1cc(C2CC2)nc2c1c(-c1ccc(Cl)cc1)nn2[C@H]1CCS(=O)(=O)C1 16850714 HPQLQAFQKYPYKV-HNNXBMFYSA-N 445.928 3.775 0 40 IHAB O=S(=O)(Nc1nc2ccccc2nc1NC1CCC(O)CC1)c1cccc(Cl)c1 18055166 ODFYKYWRBQVKLH-UHFFFAOYSA-N 432.933 3.799 0 40 IHAB Cc1csc(C(=O)N2CCCC[C@H]2c2nc(O)c3c(n2)CN(Cc2ccncc2)CC3)c1 19124592 LXZPRTUBOVYMJZ-FQEVSTJZSA-N 449.580 3.873 0 40 IHAB Cc1ccc2c(CC(=O)N3CCO[C@H](c4nc(Cc5ccccc5F)no4)C3)coc2c1 19221639 YJMAHLWOQLNLCS-NRFANRHFSA-N 435.455 3.997 0 40 IHAB CC(C)c1cc(C(=O)NC2CCN(c3ncc(-c4ccncc4)c(C(C)C)n3)CC2)[nH]n1 19451953 WJWCXUCJEUKGQR-UHFFFAOYSA-N 433.560 3.907 0 40 IHAB CCCN1CCN(Cc2nccn2CC)C[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O 19502853 HJJDJLOMTPYWJU-DEOSSOPVSA-N 431.584 3.878 0 40 IHAB O=C(Nc1ccc(Br)cc1F)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 19935632 IUQRSOBPKXMXSX-UHFFFAOYSA-N 445.285 3.764 0 40 IHAB COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)Nc1ccc(C)c(Cl)c1)=C2C 20063966 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CCCn1c(CN(C)Cc2ccc(C)cc2C)nc2cc(S(=O)(=O)N(C)C)ccc21 32739759 KMHBCGMTUZQBQJ-UHFFFAOYSA-N 428.602 3.945 0 40 IHAB CC1=NS(=O)(=O)NC(C)=C1CCC(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 32778006 QZDQDGIWLJWEEK-PAQRCMFQSA-N 449.576 3.763 0 40 IHAB C[C@@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 32794529 AMDLXYXGVOUOPU-HNNXBMFYSA-N 440.487 3.968 0 40 IHAB Cc1nc(CSCCC(=O)NCC(=O)Nc2ccc(Br)cc2C)cs1 32796509 SRBLDZZZADGBEW-UHFFFAOYSA-N 442.404 3.901 0 40 IHAB Cc1ccc(NC(=O)c2cc(S(=O)(=O)Nc3ccc(Br)cc3)n[nH]2)c(C)c1 32985027 LZLCGSYGFBDSHE-UHFFFAOYSA-N 449.330 3.842 0 40 IHAB CCN(CCCNC(=O)Cn1cnc2c([nH]c3ccc(C)cc32)c1=O)c1cccc(C)c1 35423770 ZGTNIRCTNNGGKM-UHFFFAOYSA-N 431.540 3.527 0 40 IHAB COc1ccc(-c2nnc3sc([C@H](C)n4cc(Br)c(C)n4)nn23)cc1OC 36365676 RLIRBPYNAWCPAQ-JTQLQIEISA-N 449.334 3.747 0 40 IHAB O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1cc2cc(Br)ccc2[nH]1 36398381 JSBWRCRCOLEMRE-UHFFFAOYSA-N 434.315 3.623 0 40 IHAB COc1ccc(-c2cc3c4nnc(SCC(=O)Nc5ccc(F)cc5)n4ccn3n2)cc1 38487016 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CCCN1CCN(C(=O)C2CCNCC2)C[C@@H](Cc2ccccc2-c2ccc(C)cc2)C1=O 1848353480 UTHFDULKINQGQF-RUZDIDTESA-N 447.623 3.901 0 40 IHAB Cc1ccc(C(=O)N2CCC([C@@H]3C(=O)Nc4ccc(C(=O)NC5CCCC5)cc43)CC2)o1 2055771670 PUBIGSFZWBQDCK-QFIPXVFZSA-N 435.524 3.849 0 40 IHAB O=C1N(c2cccc(C(F)(F)F)c2)[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1Cl 1019715 CKRJIMVKHPSCIZ-CVEARBPZSA-N 430.835 3.971 0 40 IHAB COc1ccc2cc(CN(Cc3ccc(C)cc3)Cc3nnnn3C(C)(C)C)c(=O)[nH]c2c1 1373487 LXPUOAMXZSQOOM-UHFFFAOYSA-N 446.555 3.789 0 40 IHAB O=C(CNC(=O)c1ccc(Br)o1)O[C@@H](C(=O)c1ccccc1)c1ccccc1 2268577 VOHZKNYJYUZENN-HXUWFJFHSA-N 442.265 3.939 0 40 IHAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NC(c3ccccc3)c3ccccc3)C2=O)cc1 3461612 BSVQHDHYWDBURZ-SANMLTNESA-N 427.504 3.668 0 40 IHAB CCn1c(COc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc(OC)cc1 6878364 VQULTCQXFXUXCS-UHFFFAOYSA-N 428.514 3.625 0 40 IHAB CC[C@@H](C)c1ccc(OCC(=O)Nc2cc(C(=O)OC)ccc2N2CCOCC2)cc1 7389789 DEDSZPBJMDKGHV-QGZVFWFLSA-N 426.513 3.841 0 40 IHAB COc1cccc(C(=O)OCC(=O)c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)c1 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COc1cc(NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc(OC)c1OC 9390526 DZBVOMNBQLHTCJ-UHFFFAOYSA-N 448.541 3.529 0 40 IHAB Cc1ccc(NC(=O)NC(=O)CN2C(=O)N[C@@](C)(c3cccc4ccccc34)C2=O)cc1C 9478159 GQZOPQYHEYSMJA-VWLOTQADSA-N 444.491 3.572 0 40 IHAB CN(CC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1)Cc1cccs1 9492013 MQKARTYUHJGPOQ-UHFFFAOYSA-N 429.567 3.644 0 40 IHAB COCCNC(=O)c1c(NC(=O)CN2CCC[C@@H]2c2cccs2)sc2c1CCCC2 9549532 RKCOQYRLODAUAY-MRXNPFEDSA-N 447.626 3.840 0 40 IHAB COc1cccc(N2C(=O)[C@](NC(=O)c3ccc(C(C)(C)C)cc3)(C(F)(F)F)N=C2O)c1 9577007 QBIQDLVNOMMTMH-OAQYLSRUSA-N 449.429 3.942 0 40 IHAB O=C(NC(c1ccccc1)c1ccccc1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 9664249 CZRFMJLEZOFYKF-FQEVSTJZSA-N 428.488 3.717 0 40 IHAB CCOc1ccc2ncc(S(=O)(=O)c3ccc(C)cc3)c(N3CCN(CC)CC3)c2c1 9969357 ZVVFMWSQTNTHEO-UHFFFAOYSA-N 439.581 3.917 0 40 IHAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCCN3CCCCC3)ccc2C)cc1 10112037 LXDIFQKLHDUODR-UHFFFAOYSA-N 429.586 3.710 0 40 IHAB Cc1ccc(-c2csc(NC(=O)CSc3nnc(Cc4ccccc4)n3N)n2)cc1 10186307 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Cc1nc(COc2ccccc2/C=C/C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)cs1 12780625 DVIIMSUYGWXZNR-VAWYXSNFSA-N 446.532 3.939 0 40 IHAB Cc1ccc(C)c(-n2nnnc2SCC(=O)Nc2cc(C)nn2-c2ccccc2C)c1 12787170 GMTXHEOAXIUOOK-UHFFFAOYSA-N 433.541 3.812 0 40 IHAB COc1ccc(-c2nnc(COC(=O)CCC(=O)CCC(=O)c3cccs3)o2)cc1 12940710 FRAYAVFJRNMOJF-UHFFFAOYSA-N 428.466 3.862 0 40 IHAB Cc1cc(C)c(C)c(S(=O)(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)c1C 13129063 BWZUOLOLQYQXRK-UHFFFAOYSA-N 448.566 3.793 0 40 IHAB Cc1cc(=O)oc2cc(OCC(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)ccc12 13625282 YEXIEGLRKCLNDP-UHFFFAOYSA-N 427.884 3.644 0 40 IHAB COc1ccc([C@@H]2C(=O)N(c3ccc(OC)cc3OC)CC(=O)N2c2ccccc2)cc1 15412897 YMNPAZODANDZFH-XMMPIXPASA-N 432.476 3.834 0 40 IHAB C[C@H]1CN(S(=O)(=O)c2cc(C(=O)N3c4ccccc4C[C@H]3C)ccc2Cl)C[C@@H](C)O1 15584359 JTAKMCCVLUGHHX-OAGGEKHMSA-N 448.972 3.729 0 40 IHAB C[C@@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2ccc(Cl)cc2Cl)o1 16010003 LBWIHUGBZUIVRN-SECBINFHSA-N 436.317 3.936 0 40 IHAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(Cl)cc(Cl)c2)cc1Cl 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IHAB COc1ccc(NC(=O)c2cnc([C@H]3CCN(C(=O)c4cc(C(C)C)n[nH]4)C3)nc2C)cc1 19766164 JMWJNLZGBADEDL-INIZCTEOSA-N 448.527 3.522 0 40 IHAB O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccc(CN2CCc3ccccc32)cc1 20482250 VSKZDGHAOYPIHT-UHFFFAOYSA-N 441.531 3.974 0 40 IHAB Cc1ccc(CNC(=O)Cn2cc(C(=O)c3ccc(C)cc3)c(=O)c3ccc(C)nc32)cc1 20579623 NGZBGNILOGTMFA-UHFFFAOYSA-N 439.515 3.869 0 40 IHAB O=C(CCc1nc(-c2cccs2)no1)Nc1cc2c(cc1Br)OCCO2 21598234 PAJYWUUHSZOYMO-UHFFFAOYSA-N 436.287 3.903 0 40 IHAB Cc1ccc(CNC(=O)CSc2nccnc2N2CCN(c3ccccc3)CC2)cc1 21657178 DBFLDIUYWZHCDM-UHFFFAOYSA-N 433.581 3.520 0 40 IHAB CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)cc1Cl 22269295 WBVNQXFYCATIST-GOSISDBHSA-N 438.977 3.543 0 40 IHAB Cc1cc(C)cc(N(CC(=O)NCCCc2cccc(OC(C)C)c2)S(C)(=O)=O)c1 22329131 QAUIKMIBMQOWPY-UHFFFAOYSA-N 432.586 3.606 0 40 IHAB CCOc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 22509753 JAQGYHNDZNEBLF-HXUWFJFHSA-N 430.570 3.698 0 40 IHAB NC(=O)c1ccc(C(=O)OCC(=O)N(Cc2ccco2)C23CC4CC(CC(C4)C2)C3)cc1 23044749 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Cc1nc(NC(=O)CSc2nc3ccccc3n2CC(=O)N2CCCCC2)sc1C 35312094 YVGQOCVJMWYCMX-UHFFFAOYSA-N 443.598 3.853 0 40 IHAB CNC(=S)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1cc2cc(C)cc(C)c2[nH]c1=O 35313557 BGFKTPIMQYAGPD-JOCHJYFZSA-N 437.565 3.614 0 40 IHAB COc1ccc(SCC(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1 40005039 OKFIPYSXFUYTOO-UHFFFAOYSA-N 446.594 3.551 0 40 IHAB Cc1ccccc1[C@H](CC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1)NC(N)=O 40069610 DJXAUJSFZIYWGJ-PMACEKPBSA-N 428.602 3.745 0 40 IHAB O=C(Nc1ccc(OCc2cc(=O)n3ccccc3n2)cc1)Nc1ccc2c(c1)OCO2 41077195 SRIICZXUCNSAJY-UHFFFAOYSA-N 430.420 3.646 0 40 IHAB Cc1ccc(-n2cc(C(=O)N3CCC(NC(=O)c4ccc(Cl)cc4)CC3)nn2)cc1C 49406303 YJVALANFOFSSKI-UHFFFAOYSA-N 437.931 3.572 0 40 IHAB COc1cccc(NC(=O)CN2CCN(c3nc(-c4cccc(OC)c4)cs3)CC2)c1 57688619 OVGZUITXMMILMB-UHFFFAOYSA-N 438.553 3.588 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NCc1cccc(NC(=O)CC(C)C)c1 58066136 VCAFKOXPMAUIMN-UHFFFAOYSA-N 432.524 3.973 0 40 IHAB C[C@H]1CN(c2ccc(NC(=O)N(C)Cc3nccn3CC(F)(F)F)cc2F)C[C@@H](C)O1 58315647 XRWLMMPVXCCQOG-OKILXGFUSA-N 443.445 3.862 0 40 IHAB Cc1ccc(Sc2nccn3c(=O)n(CC(=O)Nc4ccc(F)cc4F)nc23)c(C)c1 67255617 PHAYAGWUMARZJI-UHFFFAOYSA-N 441.463 3.576 0 40 IHAB O=S(=O)(c1ccccc1C(F)(F)F)N1CCN(c2cc(-c3ccccc3)ncn2)CC1 70637641 DEJRYKRJTHIXIE-UHFFFAOYSA-N 448.470 3.673 0 40 IHAB CCc1noc(-c2ccc(-n3cnc(C(=O)NCc4ccc(C(F)(F)F)cc4)c3)nc2)n1 71768354 KKVRTTTYDLHKNN-UHFFFAOYSA-N 442.401 3.829 0 40 IHAB COc1ccccc1-c1noc([C@@H](C)NC(=O)[C@H](NC(=O)c2cccc(C)c2)C(C)C)n1 72303543 OMIYCFHPFMGADQ-OXQOHEQNSA-N 436.512 3.685 0 40 IHAB COc1ccccc1CCC(=O)N1CCC(c2cc(C(F)(F)F)c3c(N)n[nH]c3n2)CC1 72374108 JQZQDLJGUBCGLS-UHFFFAOYSA-N 447.461 3.906 0 40 IHAB Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)CCn4nnnc4C)C3)c(-c3ccncc3)c2c1 72396842 RAHKHBYYTHDWHV-LJQANCHMSA-N 429.528 3.630 0 40 IHAB Cc1c(C(=O)N2CCN(CCn3ccnc3-c3ccccc3)CC2)cnn1-c1ccccc1 77158739 SUVMATUSDNXDPY-UHFFFAOYSA-N 440.551 3.502 0 40 IHAB O=C(NC[C@]1(O)CCSC1)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1 78987156 PMQLQGSGGYNFDQ-RUZDIDTESA-N 444.560 3.744 0 40 IHAB O=C(NCc1cccc(CO)c1)c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 79066896 BERKAMUUKDHDBC-UHFFFAOYSA-N 448.903 3.702 0 40 IHAB CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(C(C)C)nn1-c1ccccc1 79492280 JUOPBPDHURAODF-QFIPXVFZSA-N 429.524 3.564 0 40 IHAB Brc1cccc(-c2noc(Cn3nnnc3CCCc3ccccc3)n2)c1 84528642 BBFUTSPPVMNZLS-UHFFFAOYSA-N 425.290 3.709 0 40 IHAB COc1cc2oc(=O)cc(C)c2cc1CCC(=O)NCCCc1nc2ccccc2n1C 96222758 JJNLRWGCICCTBC-UHFFFAOYSA-N 433.508 3.678 0 40 IHAB biogenic O=C1[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1nn(Cc2c(Cl)cccc2Cl)cc1Cl 102016810 BUZQCKCFWQUQOB-AJNGGQMLSA-N 426.687 3.558 0 40 IHAB Cc1ccc(-c2ccc(OC(=O)CN3C(=O)[C@H]4[C@@H]5C=C[C@@H]([C@H]6C[C@H]56)[C@@H]4C3=O)c(C)c2)cc1 102139655 NRKQJMWKFLHSAS-XWOBKLQRSA-N 427.500 3.929 0 40 IHAB COC(=O)c1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccccc2C)cc1 102914503 UITDEGKNHFENLB-RJGXRXQPSA-N 442.471 3.833 0 40 IHAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](CC)N(c1cccc(C)c1)S(C)(=O)=O 220507299 CMGXZWCUBKDAOJ-DYESRHJHSA-N 445.585 3.707 0 40 IHAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1cccc(C)c1 222885988 MOBNEOSBXLMAJQ-RUZDIDTESA-N 430.548 3.932 0 40 IHAB COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(C(=O)O)cc1 223067010 FCNOZXSYVZZPIE-NHCUHLMSSA-N 436.537 3.580 0 40 IHAB CCCC(=O)N(Cc1ccc(OC)cc1)[C@@H](Cc1ccccc1)C(=O)NCCCOC 223267374 VOXVTGZYUFEMQP-QHCPKHFHSA-N 426.557 3.588 0 40 IHAB CC[C@H](NC(=O)CCCN(c1ccccc1OC)S(C)(=O)=O)c1ccc(OC)c(C)c1 223287735 DOAXYXZHDAGBIX-IBGZPJMESA-N 448.585 3.826 0 40 IHAB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(Cc2ccco2)c1C 223681529 BMIUYGFLLPNTBZ-FCHUYYIVSA-N 438.553 3.677 0 40 IHAB CCc1ccc(N(CCCC(=O)Nc2nnc(-c3ccccc3)s2)S(C)(=O)=O)cc1 224157287 MRFHJUNLVPIEQE-UHFFFAOYSA-N 444.582 3.952 0 40 IHAB COc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)NCc3ccccc3F)c2)cc1 224503611 UCZRTSDHQSBCGZ-UHFFFAOYSA-N 428.485 3.589 0 40 IHAB COC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(Br)cc1 224731023 ZUNOYEKWNFKKHB-UHFFFAOYSA-N 432.723 3.779 0 40 IHAB O=C(NC1CCCCC1)c1c(NC(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)O)sc2c1CCC2 225764597 PASIKBWVDYKATA-RUZGCFLTSA-N 428.554 3.761 0 40 IHAB C[C@@H]1C[C@@H](C)CN(c2cc(N3CCCCC3)nc(NC(=S)NCc3cccnc3)n2)C1 225939765 GVEMQIDBYQGAJD-QZTJIDSGSA-N 439.633 3.831 0 40 IHAB CC1(C)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2CN(C(=O)Nc3ccc(F)cc3)CCN21 253404168 QVGZEAPRJHXBGK-FQEVSTJZSA-N 444.938 3.932 0 40 IHAB biogenic,in-vitro CN(C(=O)C1(C)CCN(C(=O)c2ccccc2F)CC1)[C@H]1CCCN(c2ccccn2)C1 257307147 SXJYMKBSVNPYQD-IBGZPJMESA-N 438.547 3.590 0 40 IHAB CC(C)(C)C(=O)N1CCC(c2nnc([C@H]3CCCCN3C(=O)C[C@@H]3CCCCO3)o2)CC1 257337749 YUEPTSFTEQXHNP-RBUKOAKNSA-N 446.592 3.835 0 40 IHAB CC(C)n1nccc1[C@@H]1CN(Cc2ccncc2)C[C@]12CCCN(Cc1cccnc1)C2=O 306127887 GJWFRVZUEKUVOZ-JYFHCDHNSA-N 444.583 3.662 0 40 IHAB Cc1cccc(CN2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccccc2)C3=O)c1 306128264 GVRFGIBNRRLICG-AHKZPQOWSA-N 427.548 3.787 0 40 IHAB Cc1nc2c(n1C(C)C)CN(C(=O)c1cnccn1)CC21CCN(Cc2ccccc2)CC1 306129961 ISQBNNZSUTUXAE-UHFFFAOYSA-N 444.583 3.752 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCCCC1)c1ccc(Cl)cc1 408556192 IFPQFCDMOPUAAN-UHFFFAOYSA-N 436.961 3.865 0 40 IHAB COc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4ccccc4c3)C2)cc1 408558259 QAJBXZNNCAJQMF-NRFANRHFSA-N 438.549 3.566 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCc1ccccc1)C1CCCCC1 408619533 ILAHUFASSSKPJO-UHFFFAOYSA-N 444.597 3.686 0 40 IHAB Cc1c(Br)ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c1C 408646979 RSMSHNWZJXBKGO-HNNXBMFYSA-N 445.313 3.601 0 40 IHAB CCc1cccc(CC)c1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 408654169 JYQYLWUIPKBBOD-QGZVFWFLSA-N 428.916 4.000 0 40 IHAB Cc1cccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)c1C 408665351 RLFWUEZYHSPVMK-PMACEKPBSA-N 432.476 3.555 0 40 IHAB CCCN1C(=O)S/C(=C\c2ccc(OS(=O)(=O)c3ccccc3)c(OC)c2)C1=O 409344009 JNNOOGPHPDVVJU-AQTBWJFISA-N 433.507 3.909 0 40 IHAB CCc1cc(C(=O)N2CCC[C@@]3(CCCCc4ccccc4OCCN(C)C3=O)C2)on1 643561542 QXYNSRUFMDSFFQ-VWLOTQADSA-N 439.556 3.723 0 40 IHAB CC(=O)N1CCC(CC(=O)Nc2cccc3[nH]ccc23)(N2Cc3ccccc3C2=O)CC1 1548348873 USKUYWRHELULJV-UHFFFAOYSA-N 430.508 3.534 0 40 IHAB Cc1ccccc1[C@H](CC(=O)N1CCc2ccccc2[C@H]1C(=O)OC(C)(C)C)NC(N)=O 1641824261 VLJPKLHGUSEBEN-UNMCSNQZSA-N 437.540 3.562 0 40 IHAB O=C([C@H]1CCCN(c2ncc(Br)cc2C(F)(F)F)C1)N1CCSCC1 1888867070 KJHNHULIIFSBLE-NSHDSACASA-N 438.313 3.655 0 40 IHAB CC(=O)N1C[C@H](c2cccc(CN(C)C)c2)[C@@H](C(=O)NC2(c3ccccc3)CCCC2)C1 2037834553 PJKQOSRDCIIIDM-RPBOFIJWSA-N 433.596 3.896 0 40 IHAB CC(C)N1CCC(N2CCO[C@@]3(CO[C@@H]4c5cccc(O)c5OC(C)(C)[C@H]4C3)C2)CC1 2037976942 SMIVGAWQXKXALK-NIRIFSCTSA-N 430.589 3.585 0 40 IHAB COc1cc(CN2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)cc(Br)c1O 819288 JKFBCCMKVJJOAW-CQSZACIVSA-N 425.367 3.634 0 40 IHAB CCN(Cc1ccccc1)C(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1OC 8880800 KQAFOUYZHMJERS-UHFFFAOYSA-N 430.570 3.922 0 40 IHAB Cc1nc(N2CCN(c3ccccc3F)CC2)nc2c1C(=O)C[C@@H](c1ccccc1O)C2 9096443 NOJCJYGXCUNKNH-KRWDZBQOSA-N 432.499 3.869 0 40 IHAB COc1ccc(Cc2nc3c4c(C)c(C)n(-c5cc(C)ccn5)c4ncn3n2)cc1OC 9305892 ZSKWLBBEJFQDGF-UHFFFAOYSA-N 428.496 3.996 0 40 IHAB Cc1nc2[nH]c(SCC(=O)Nc3ccc4c(c3)OCCO4)nc2cc1Br 9308447 YTGXIRPFFTYGSU-UHFFFAOYSA-N 435.303 3.531 0 40 IHAB COc1cccc(/C=C2\SC(=O)N(CC(=O)NCCc3c[nH]c4ccccc34)C2=O)c1 9429738 HYIGHOHOCGQKOS-NDENLUEZSA-N 435.505 3.572 0 40 IHAB O=C(COC(=O)CSc1ccc2c(c1)OCCO2)Nc1ccc(OC(F)(F)F)cc1 9561933 XDXAVBVDQBCBRR-UHFFFAOYSA-N 443.399 3.630 0 40 IHAB CCNC(=O)NC(=O)[C@H](C)Sc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1 9570738 PZAZHSHYCYWTOP-AWEZNQCLSA-N 443.960 3.838 0 40 IHAB O=C(NCCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1ccc(Cl)cc1 9712551 POLKYWZBNWCNBL-LJQANCHMSA-N 428.916 3.985 0 40 IHAB CCN(C(=O)CSc1nnc(N2CCOCC2)n1-c1cccc(F)c1)C1CCCCC1 9726102 NSHQEAZUQUKPKX-UHFFFAOYSA-N 447.580 3.516 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)c2ccccc2O3)cc1OC 9827879 GUSNRQKGAYFMJR-UHFFFAOYSA-N 440.477 3.887 0 40 IHAB O=C(c1ccco1)N1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC1 9865725 OUEVOGFDYNLDBL-UHFFFAOYSA-N 444.466 3.870 0 40 IHAB COc1ccc(S(=O)(=O)NCCCc2ccccc2)cc1C(=O)N1CCCCCC1 10110316 CPWQPOZVZJCSJS-UHFFFAOYSA-N 430.570 3.623 0 40 IHAB CCOC(=O)c1sc(NC(=O)Cn2nc(-c3ccc4ccccc4c3)ccc2=O)nc1C 10132000 MRJBENKVJKINSU-UHFFFAOYSA-N 448.504 3.644 0 40 IHAB Cc1ccc(Cl)cc1N([C@@H](C)C(=O)NCCSC1CCCCC1)S(C)(=O)=O 10339063 TWBMHWXFTLNJIN-HNNXBMFYSA-N 433.039 3.985 0 40 IHAB Cc1cccc2sc(N(C[C@H]3CCCO3)C(=O)Cc3ccc(S(C)(=O)=O)cc3)nc12 10889859 UYWGVUHYODDDFH-QGZVFWFLSA-N 444.578 3.763 0 40 IHAB COc1cccc2cc(/C=C/C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)oc12 11327924 LVMLNRNGSHMVQE-FMIVXFBMSA-N 426.494 3.878 0 40 IHAB O=C(Nc1nc(CCC(=O)N2CCN(c3ccccc3)CC2)cs1)c1cccs1 11796761 KHHHDQWLCFUOQG-UHFFFAOYSA-N 426.567 3.738 0 40 IHAB COCCCn1c(=O)c2ccccc2n2c(SCc3ccc(-n4cccn4)cc3)nnc12 12046803 BVLITCULUKIKKF-UHFFFAOYSA-N 446.536 3.559 0 40 IHAB CCn1c(S[C@@H](C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)nc2ccccc21 12520487 VMURORZUODQJNB-HNNXBMFYSA-N 446.598 3.734 0 40 IHAB COc1ccc(C(=O)C2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(C)c(F)c4)C3)CC2)cc1 12551861 VMDPDMHZEHZCBX-LJQANCHMSA-N 438.499 3.617 0 40 IHAB CCN(Cn1nc(-c2ccccc2)n(-c2cccc(C)c2)c1=S)[C@@H]1CCS(=O)(=O)C1 12555482 NTGRBXIHUWBOKN-HXUWFJFHSA-N 442.610 3.845 0 40 IHAB CSCC[C@H](C(=O)N(C)c1nc2ccccc2s1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 12818011 LZUWOZFMXDXUCZ-OFQRWUPVSA-N 431.583 3.556 0 40 IHAB O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 12907758 WOGXEBBEFUFSOF-UHFFFAOYSA-N 448.903 3.886 0 40 IHAB CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)NCC3(N(C)C)CCCCC3)CC2)cc1 12991947 LISXNGBCORULFH-UHFFFAOYSA-N 449.661 3.591 0 40 IHAB Cc1cccc(C)c1N(C(=O)[C@@H]1CSC(=O)C1)[C@@H](C(=O)NC(C)(C)C)c1ccccn1 13086285 GPGRSOPVSJIYNL-LAUBAEHRSA-N 439.581 3.967 0 40 IHAB COc1ccc(C(=O)Nc2cccc(OCc3cc(=O)n4nc(C5CC5)sc4n3)c2)cc1 13368313 BDTDFQJRWLYHSJ-UHFFFAOYSA-N 448.504 3.868 0 40 IHAB Cc1nc2sc3c(c2c2nnc(SCC(=O)NCc4ccco4)n12)CC[C@@H](C)C3 13499699 JKVZBOUWGCJUQE-LLVKDONJSA-N 427.555 3.774 0 40 IHAB Fc1ccc(N2CCN([C@H](c3ccccc3)c3nnnn3Cc3cccs3)CC2)cc1 13505239 UJPNPRIRFHFUGF-JOCHJYFZSA-N 434.544 3.834 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)Oc3ccc(C(C)(C)C)cc3)CC2)cc1 13674728 YZLHQIZVAVMXBT-IBGZPJMESA-N 444.597 3.593 0 40 IHAB Cc1cc(C)cc(-n2ccnc2SCc2cccc(S(=O)(=O)N3CCOCC3)c2)c1 14800656 ZGDYQCKBYZKULI-UHFFFAOYSA-N 443.594 3.802 0 40 IHAB COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c1 15132800 QTUFHNOHSJVPFJ-QGZVFWFLSA-N 446.569 3.678 0 40 IHAB CC(=O)Nc1ccc2nc(NC(=O)CCS(=O)(=O)c3ccc(Cl)cc3)sc2c1 16047946 IWHAZOYNNPSMRX-UHFFFAOYSA-N 437.930 3.711 0 40 IHAB Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)c2cccc(OCc3cscn3)c2)c1C 16261232 UUVXWEFNVLOTPE-UHFFFAOYSA-N 445.566 3.842 0 40 IHAB COc1ccc(-c2nc(C(=O)NCCc3ccc4c(c3)OCCO4)cs2)cc1OC 18073621 YBGRHIOWTPCTOD-UHFFFAOYSA-N 426.494 3.571 0 40 IHAB COc1ccccc1C(=O)N[C@H](Cc1cc(=O)[nH]c(-c2ccncc2)n1)c1ccc(F)cc1 19568918 STGMLEPJVNJHHO-OAQYLSRUSA-N 444.466 3.693 0 40 IHAB COc1ccc(-c2cc3nc([C@@H](C)NC(=O)Cc4ccc(OC)c(C)c4)nn3cn2)cc1 19571279 PQBJWUJKOICJLO-MRXNPFEDSA-N 431.496 3.537 0 40 IHAB Cn1ccnc1C(=O)N1CCO[C@@H](c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)C1 19687772 QZPLREDMOYSAKY-LJQANCHMSA-N 430.430 3.638 0 40 IHAB CNc1nc([C@H]2CCCN2C)nc2c1CCN(C(=O)C1(c3cccc(F)c3)CCCC1)C2 19707391 DPJVZEXSQOYVMB-OAQYLSRUSA-N 437.563 3.821 0 40 IHAB CC(=O)N1CCc2nc([C@@H]3CCCN(C)C3)nc(NCC(C)(C)c3ccc(F)cc3)c2C1 19711317 MRHMRXHTASDCMY-GOSISDBHSA-N 439.579 3.719 0 40 IHAB Cc1nc([C@H]2CCCCN2C(=O)c2cc(C3CC3)on2)nc2c1CCC(=O)N2CC(C)C 19740817 MZTJUKDTGLMEOJ-LJQANCHMSA-N 437.544 3.953 0 40 IHAB O=C(CN1N=C(c2ccccc2)c2cc(Cl)ccc2S1(=O)=O)Nc1ccc(F)cc1 21942476 FVTUDFRMFTVHRH-UHFFFAOYSA-N 443.887 3.875 0 40 IHAB COc1ccc(Br)cc1S(=O)(=O)N1CC=C(c2c[nH]c3ncccc23)CC1 22475619 CRUHKHXWMHSSOO-UHFFFAOYSA-N 448.342 3.812 0 40 IHAB O=C(NCc1ccc(COCC(F)(F)F)cc1)[C@H]1CCCN(C(=O)c2cccs2)C1 23023417 GTHIDRQYISSENG-KRWDZBQOSA-N 440.487 3.996 0 40 IHAB CNC(=O)c1ccc(CN(Cc2cc3c(cc2Br)OCCO3)C2CC2)cc1 25191388 CLAKLUANLKIMEQ-UHFFFAOYSA-N 431.330 3.745 0 40 IHAB C[C@H](CCc1ccccc1)NC(=O)CCNS(=O)(=O)c1ccccc1C(F)(F)F 28198417 HNHRUPKYEVPADF-OAHLLOKOSA-N 428.476 3.511 0 40 IHAB COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 31778490 FPFMHFADPUCYMP-GOSISDBHSA-N 425.287 3.805 0 40 IHAB O=C(CNc1cccc(OC[C@H]2CCCO2)c1)Nc1cc(Cl)ccc1-n1cncn1 32776691 ITRLCEGFQWSXIW-GOSISDBHSA-N 427.892 3.529 0 40 IHAB O=C(/C=C/c1ccc(OC(F)F)cc1)NC1CCN(CC(=O)Nc2ccccc2)CC1 32901497 RQFHFMXHXFURSO-DHZHZOJOSA-N 429.467 3.521 0 40 IHAB CNC(=O)Nc1ccc(NC(=O)[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)cc1 32903300 CCTBAVBKLZJQTJ-XOQVKLMPSA-N 426.561 3.734 0 40 IHAB COc1ccc(S(=O)(=O)N(C)c2ccsc2C(=O)NCc2ccc(F)cc2)cc1 33141763 QVCCXZHXIVCSII-UHFFFAOYSA-N 434.514 3.651 0 40 IHAB CCOc1cc(C)ccc1OCc1nnc(SCC(=O)N[C@@H]2CCCC[C@H]2C)n1C 33759130 LZTBYSGXFJWCHL-IAGOWNOFSA-N 432.590 3.888 0 40 IHAB COc1ccc(-c2cnn3c2N=C(O)C[C@@H]3C(=O)Nc2ccc(NC(C)=O)cc2)cc1OC 35685355 RAVCLURBVFUJML-GOSISDBHSA-N 449.467 3.697 0 40 IHAB COc1cc(OC)c2cc(C(=O)N[C@H](C)C(=O)Nc3nc4ccccc4s3)n(C)c2c1 36580016 VDMYCUGIPIZBBT-GFCCVEGCSA-N 438.509 3.562 0 40 IHAB O=C([C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)N1CCN(Cc2ccccc2)CC1 36701225 CPSXDLZHVXUVJT-MCSIRMTHSA-N 435.612 3.538 0 40 IHAB COc1ccc(-c2ccc(N3CCN(C(=O)CSc4ccc(F)cc4)CC3)nn2)cc1 38488101 UHQDRLWXQZCGPN-UHFFFAOYSA-N 438.528 3.732 0 40 IHAB Cc1ccc(C(=O)c2ccccc2C(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)cc1 40049925 SDPHOWMCFIBMBJ-UHFFFAOYSA-N 442.515 3.628 0 40 IHAB C[C@H](c1nc2ccccc2s1)N1CCN(C(=O)CN2CCc3sccc3C2)CC1 40158118 OLBIODJTQJRZNR-MRXNPFEDSA-N 426.611 3.621 0 40 IHAB COc1ccccc1CNC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 44792108 QMRWSKTYZUUAER-UHFFFAOYSA-N 438.549 3.824 0 40 IHAB O=C(Cc1csc(Nc2ncccn2)n1)N1CCN(c2cccc(Cl)c2Cl)CC1 49029413 PJMVUBOGAXMLFL-UHFFFAOYSA-N 449.367 3.875 0 40 IHAB Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc(N(C)C)cc3)c2=O)cc1C 57490965 OFPRELXQWHPBQX-UHFFFAOYSA-N 448.548 3.535 0 40 IHAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CN(C)c1ccc(Oc3ccccc3)cc1)n2C 58161198 WACJNQPFSDZJDZ-UHFFFAOYSA-N 433.512 3.652 0 40 IHAB CCn1c(=O)sc2cc(S(=O)(=O)Nc3ccc(Br)cc3F)ccc21 64946792 NWDUPLCXIUTKMQ-UHFFFAOYSA-N 431.308 3.785 0 40 IHAB Cc1nn(-c2ccccc2)cc1CCCNC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 65623222 FFRVDFYZJYEERU-OALUTQOASA-N 448.571 3.944 0 40 IHAB Cc1c(C(=O)Nc2ccccc2Cl)nnn1CC(=O)Nc1ccccc1Br 67322373 NXEXUBFRZXPTST-UHFFFAOYSA-N 448.708 3.893 0 40 IHAB NC(=O)c1cnc(N2CCC3(CC2)C[C@H]3c2nnc(-c3cccc(F)c3)o2)c(Cl)c1 71890507 BMFXYSMXQNXPFM-HNNXBMFYSA-N 427.867 3.797 0 40 IHAB Cn1cnc(S(=O)(=O)N2CCC(c3cccc(Cc4ccc(Cl)cc4)n3)CC2)c1 72350355 LMNVPGURIOPWPC-UHFFFAOYSA-N 430.961 3.628 0 40 IHAB CCc1nnc(NC(=O)[C@H]2c3ccccc3C(=O)N(C[C@@H]3CCCO3)C23CCCC3)s1 72401798 VZXMDPAPBBYZHL-HNAYVOBHSA-N 440.569 3.770 0 40 IHAB Cn1nc([C@H]2CCCN(C(=O)c3ccccc3C(F)(F)F)C2)n(-c2ccccc2)c1=O 77100562 MFPBYSMDWQTQFJ-HNNXBMFYSA-N 430.430 3.610 0 40 IHAB O=C(NCC(=O)N1CCN(c2ccccc2)CC1)Nc1ccc2c(c1)Cc1ccccc1-2 84549551 VXYZAJFEXCIPPG-UHFFFAOYSA-N 426.520 3.728 0 40 IHAB Cc1cccc(CN/C(Nc2ccccc2)=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c1 101382542 BFWNJWLJMGUIJI-FCQUAONHSA-N 440.503 4.000 0 40 IHAB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccccc3C(F)(F)F)CC2=O)cc1C 138627579 DREIHKCWNLLIHW-HNNXBMFYSA-N 434.414 3.857 0 40 IHAB CC[C@]1(C)c2sc(=O)[nH]c2S[C@H]2[C@@H]3C[C@@H]([C@@H]4C(=O)N(c5ccc(F)cc5)C(=O)[C@H]43)[C@@H]21 170612565 HYDGNKXEKCMXEV-GLZRLWDESA-N 444.553 3.789 0 40 IHAB C[C@@H](C(=O)N[C@H](C)CCc1ccccc1)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 220199055 WKUSJNWULIJZHC-CVEARBPZSA-N 442.503 3.997 0 40 IHAB CC[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)N(c1ccc(OC)cc1)S(C)(=O)=O 220639057 YNYYKCRCWNGLNR-KRWDZBQOSA-N 430.448 3.897 0 40 IHAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1cccc(C)c1 222537685 JRUBNANIRGOHCX-DEOSSOPVSA-N 434.511 3.899 0 40 IHAB O=C(NCCSCc1ccccc1Cl)c1cccc(N2CCCCS2(=O)=O)c1 222551513 QEPHKOHRUHDFSO-UHFFFAOYSA-N 439.002 3.933 0 40 IHAB Cc1c(Cl)cccc1N(CCCC(=O)N[C@@H](C)COc1ccccc1)S(C)(=O)=O 223277884 ZFZNSYGHPUXKMU-INIZCTEOSA-N 438.977 3.778 0 40 IHAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(OC)c4ncccc34)c(Cl)cc21 223366826 PKEJPHFGAVABQX-UHFFFAOYSA-N 433.873 3.625 0 40 IHAB CCc1ccc(N([C@@H](C)C(=O)NCCOc2ccccc2C(C)C)S(C)(=O)=O)cc1 223801027 CJZZXSQDSFLWBX-SFHVURJKSA-N 432.586 3.722 0 40 IHAB CCOc1ccccc1CN(C)S(=O)(=O)c1ccc(SC)c(C(=O)N2CCCC2)c1 223890878 RAYKJVLPABBECB-UHFFFAOYSA-N 448.610 3.864 0 40 IHAB CN(C(=O)c1cc(N(C)S(=O)(=O)c2ccccc2)ccc1Cl)[C@@H]1CCCC[C@H]1O 224336985 XHLQOVBALVPPHC-WOJBJXKFSA-N 436.961 3.541 0 40 IHAB COc1ccc(SCCCNC(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc1 224395222 QCLZYTUNAPIFLB-UHFFFAOYSA-N 434.583 3.537 0 40 IHAB COc1ccc(CNC(=O)CCCN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1OC 224665285 GUJZJLVABQEIAA-UHFFFAOYSA-N 448.585 3.690 0 40 IHAB CCOc1ccc(N([C@@H](CC)C(=O)Nc2ccc(N3CCCC3)cc2)S(C)(=O)=O)cc1 224931419 DFHAIDGXKBWIHY-QFIPXVFZSA-N 445.585 3.869 0 40 IHAB CSc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(Br)cc2F)cc1 224991107 LOUSPVSRIUZHFH-UHFFFAOYSA-N 434.308 3.590 0 40 IHAB CC[C@@H](NC(=O)CCc1cc(S(=O)(=O)N2CCCC2)ccc1OC)c1ccccc1 225723526 OKTLGRCOOVKWMR-OAQYLSRUSA-N 430.570 3.680 0 40 IHAB COc1cccc2c1OC(C)(C)[C@H]1C[C@@H]3[C@H](CCN3C(=O)CCCCCNC(C)=O)O[C@H]21 257241172 HWXJOJKKDUAUOR-FAKFISEUSA-N 444.572 3.610 0 40 IHAB CCN(CC)C(=O)c1cnc(C)nc1[C@H]1CC[C@H](CNC(=O)c2oc(C)nc2C)CC1 257289691 PZUWBIMFLQJFSD-IYARVYRRSA-N 427.549 3.576 0 40 IHAB CC(C)NS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)CCc2ccccc2)c(Cl)c1 408583994 LCPKWZNTRSZVPK-INIZCTEOSA-N 438.977 3.543 0 40 IHAB COc1cccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Cl)c(Cl)c2)c1 408653780 AQTXUFMOSKSIFY-UHFFFAOYSA-N 425.268 3.903 0 40 IHAB Cc1cccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)[C@@H]5CCCC[C@H]5C4=O)cc3)CC2=O)c1 408658398 JFFXXJOEJVQESJ-ZPMCFJSWSA-N 446.503 3.633 0 40 IHAB CCN(CC)c1ccc(NC(=O)CSc2nc(O)cc(=O)n2-c2ccccc2)c(C)c1 408891004 JSWYAEKSROIWTQ-UHFFFAOYSA-N 438.553 3.824 0 40 IHAB COc1ccc(CCC(=O)N2CCC[C@@]3(CCCN3C[C@@H]3CCCO3)CC2)c(OC)c1 585100310 JXQYGUMZNOWVBD-WIOPSUGQSA-N 430.589 3.663 0 40 IHAB COc1cc2nc(CN3CCc4sc(Br)cc4C3)nc(O)c2cc1OC 676711666 SUGVYMSKQWIVQU-UHFFFAOYSA-N 436.331 3.735 0 40 IHAB O=C(C1=Cc2ccccc2O[C@@H]1C(F)(F)F)N1CCC(Oc2cncc(Cl)n2)CC1 1138675049 UXLPCLYDMDVVQZ-SFHVURJKSA-N 439.821 3.907 0 40 IHAB CCCc1c(C)c2c(O[C@H](C)C(=O)OCC)cc(O[C@H](C)C(=O)OCC)cc2oc1=O 627800 HWTRYCHJYHYCNK-HUUCEWRRSA-N 434.485 3.715 0 40 IHAB CCn1c(CNc2ccc(OC)cc2)nnc1SCC(=O)N1CCCc2ccccc21 899011 LIPBXNDFGYVAQU-UHFFFAOYSA-N 437.569 3.990 0 40 IHAB CCOC(=O)Cn1cc(/C=C2/NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c2ccccc21 1106162 KDYMOWFYMFJXPY-YBFXNURJSA-N 437.883 3.951 0 40 IHAB O=C(N[C@]1(C(F)(F)F)N=C(O)N(C2CCCCC2)C1=O)c1cccc(C(F)(F)F)c1 2413351 ASSVVNNWGICOBX-INIZCTEOSA-N 437.340 3.783 0 40 IHAB Nn1c(SCC(=O)Nc2c(F)c(F)c(F)c(F)c2F)nnc1-c1cccc(Cl)c1 3472594 FRTOPHQRCCNVND-UHFFFAOYSA-N 449.792 3.739 0 40 IHAB Cc1cc(C)c2cc(CN(CCCN(C)C)C(=S)NCc3ccco3)c(=O)[nH]c2c1 4162013 RZQFABXOTLYKEM-UHFFFAOYSA-N 426.586 3.566 0 40 IHAB Cc1ccc(N(CC(=O)NC2CCCCC2)C(=O)CNC(=O)c2cccs2)cc1C 4875814 JWTMLDMLPLUIMU-UHFFFAOYSA-N 427.570 3.577 0 40 IHAB Cc1ccc(OCC(=O)Nc2ccc(OCc3cc(=O)n4ccsc4n3)cc2)cc1C 8603661 GTGIHFOFOJJCLL-UHFFFAOYSA-N 435.505 3.969 0 40 IHAB COc1ccc(CN(C(=O)Cc2coc3ccc(C)cc23)[C@@H]2CCS(=O)(=O)C2)cc1 8611963 WIPGGSURQKAKCU-LJQANCHMSA-N 427.522 3.508 0 40 IHAB O=C(Cn1cc(Br)ccc1=O)N(CCc1ccccc1)Cc1cccs1 8735192 ISVKLIFJZJORMV-UHFFFAOYSA-N 431.355 3.944 0 40 IHAB COc1ccc(CCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1OC 8936582 UECZSUUWDCOJLW-UHFFFAOYSA-N 446.569 3.758 0 40 IHAB CCOC(=O)C1CCN(C(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3C)c2)CC1 9096774 CMWMSMHAXFOQND-UHFFFAOYSA-N 444.553 3.520 0 40 IHAB CCCN1C(=O)C(C)(C)COc2cc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)ccc21 9167380 ALOSYNYNZZDTHG-UHFFFAOYSA-N 445.541 3.607 0 40 IHAB C[C@H](Sc1nnc(-c2ccccc2F)n1C)C(=O)Nc1ccc(N2CCOCC2)cc1 9284700 YVZOVIYXBQDRIU-HNNXBMFYSA-N 441.532 3.577 0 40 IHAB O=C(CCn1ccc2ccccc21)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 9338361 BKBLFCZIGRZOSZ-UHFFFAOYSA-N 426.523 3.927 0 40 IHAB CC(=O)Nc1cccc(NC(=O)CSc2ccc3nnc(-c4cccc(F)c4)n3n2)c1 9415050 QVPDASDVXCNMJX-UHFFFAOYSA-N 436.472 3.620 0 40 IHAB CCn1c(CN2CCCCCC2=O)nnc1S[C@H](C)C(=O)Nc1ccc2c(c1)CCC2 9739166 MVCRTOBUDFQQGT-MRXNPFEDSA-N 441.601 3.809 0 40 IHAB COc1cn(CC(=O)NCc2ccc(C)cc2)c(CSc2ccc(F)cc2)cc1=O 9816188 WMJGLMKDLKNDDG-UHFFFAOYSA-N 426.513 3.913 0 40 IHAB CCOc1ccc(NC(=O)c2ccccc2NCC(=O)N2CC(=O)Nc3ccccc32)cc1 9945492 AQOGRZLDOXHBCD-UHFFFAOYSA-N 444.491 3.735 0 40 IHAB C[C@@H]1CCc2nc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(Cl)s3)sc2C1 10187154 LAVSVGMNJYIOOJ-PWSUYJOCSA-N 446.019 3.775 0 40 IHAB CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1nc2cc3c(cc2s1)OCCO3 11751563 KEAFODRXIJHECG-BFUOFWGJSA-N 425.510 3.851 0 40 IHAB COc1ccc(-c2cc(C(=O)Nc3ccccc3Cl)nn2[C@H]2CCS(=O)(=O)C2)cc1 11996866 AYZYZQCGXCTZAE-HNNXBMFYSA-N 445.928 3.824 0 40 IHAB CCS(=O)(=O)c1cccc(C(=O)N(CCCN(C)C)c2nc3ccc(F)cc3s2)c1 12342334 UXKMAZLRLOBBQY-UHFFFAOYSA-N 449.573 3.828 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3C)cc2)cc1 12485379 TUKRSZNEDKXNRP-UHFFFAOYSA-N 426.494 3.822 0 40 IHAB Cc1nc(-c2ccc3c(c2)CCN3CC(=O)Nc2cccc(S(C)(=O)=O)c2)cs1 12635515 GWUDPPAERHTMSW-UHFFFAOYSA-N 427.551 3.523 0 40 IHAB CCn1c(CC(=O)Nc2cccc(C)c2)nnc1SCC(=O)Nc1cc(C)ccc1O 12851366 RMYLOOZBWMDJJB-UHFFFAOYSA-N 439.541 3.532 0 40 IHAB O=C(CN(C(=O)c1csnn1)c1ccccc1C(F)(F)F)NCCc1ccccc1 12870605 YIMQILMUEWAIPG-UHFFFAOYSA-N 434.443 3.563 0 40 IHAB CCC(C)(C)NC(=O)c1ccc2c(c1)N(CC(=O)Nc1ccccc1F)C(=O)C(C)(C)O2 12875957 CWZBCULTOYRASZ-UHFFFAOYSA-N 441.503 3.887 0 40 IHAB O=C1c2ccccc2N2C(=O)CC[C@@]2(C(=O)Nc2ccccc2F)N1Cc1ccccc1 12948266 ALYDVEPDPCMTBM-RUZDIDTESA-N 429.451 3.944 0 40 IHAB CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1 12981510 AMVWRCNBIUAGTH-SFHVURJKSA-N 438.496 3.631 0 40 IHAB Cc1ccc(-c2nc(CN3CCCN(S(=O)(=O)c4ccc(F)cc4)CC3)co2)cc1 13017923 USWMBNAGJPCVDI-UHFFFAOYSA-N 429.517 3.686 0 40 IHAB Cc1cccc(S(=O)(=O)N(CC(=O)N[C@@H]2CCCc3ccccc32)Cc2ccco2)c1 13115988 GLKMTSXFGDXAEK-HSZRJFAPSA-N 438.549 3.973 0 40 IHAB O=C(CSc1ncnc2ccccc12)Nc1cc(C(F)(F)F)ccc1-n1cncn1 13117030 KGFLFPAAEIDJGE-UHFFFAOYSA-N 430.415 3.960 0 40 IHAB NC1=NC(SCC(=O)Nc2cccc(C(F)(F)F)c2)=N[C@H](c2c[nH]c3ccccc23)N1 13579230 JKYNLLBGEKWRCM-QGZVFWFLSA-N 446.458 3.831 0 40 IHAB COC(=O)[C@@H](CC(=O)c1ccc(Cl)cc1)c1cc(=O)oc2c(OC)c(OC)ccc12 13687663 MAEKDXIEJHVKDC-INIZCTEOSA-N 430.840 3.993 0 40 IHAB CC[C@H](C(=O)NCCSCc1ccccc1C)N(c1ccc(C)cc1)S(C)(=O)=O 13713506 QQJGDIWNUPSLCK-OAQYLSRUSA-N 434.627 3.898 0 40 IHAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CCCSc4ccccc43)c2)C[C@@H](C)O1 14240865 CZUZQERKCQBADL-CALCHBBNSA-N 446.594 3.627 0 40 IHAB COc1ccc(C2=NO[C@@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)c2cccs2)c(OC)c1 16021712 JHRHMQMLZZDALR-AUSIDOKSSA-N 434.473 3.846 0 40 IHAB COc1cc(NC(=O)[C@@H](C)OC(=O)c2cc(C)n(CC(F)(F)F)c2C)cc(OC)c1 16406186 VAEFDCZWFQCNLK-CYBMUJFWSA-N 428.407 3.868 0 40 IHAB NC(=O)c1ccc(-c2ncc(-c3nnnn3-c3ccccc3)c(-c3ccccc3F)n2)cc1 16523938 KKAQUEIFMBEENZ-UHFFFAOYSA-N 437.438 3.691 0 40 IHAB CCOC(=O)[C@@H](NC(=O)Cc1ccccc1)[C@@H](OC(=O)Cc1ccccc1)c1ccccc1 16682156 QIKMZCUNAXHQOA-UIOOFZCWSA-N 445.515 3.804 0 40 IHAB biogenic O=S(=O)(c1ccc(NC(=S)NCc2ccco2)cc1)N1CCc2ccccc2C1 17095511 BTEPXTFJHIZHKD-UHFFFAOYSA-N 427.551 3.513 0 40 IHAB Cc1ccc(C(=O)N2CCCC[C@@H]2c2nc(O)c3c(n2)CN(Cc2ccncc2)CC3)cc1 19135416 JMLHSTLAPJFLCD-HSZRJFAPSA-N 443.551 3.811 0 40 IHAB Cn1nc(C(F)(F)F)cc1C(=O)N[C@@H](Cc1cc(=O)[nH]c(C2CCC2)n1)c1ccccc1 19288792 KEXKBUBXCVABCQ-INIZCTEOSA-N 445.445 3.504 0 40 IHAB COc1cc(OC)c(C2=NO[C@H](C(=O)N3CCCCC[C@H]3c3cnn(C)c3)C2)cc1Cl 19290594 FNNJAEYVLCZFBN-RXVVDRJESA-N 446.935 3.728 0 40 IHAB CNC(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCCN(Cc2cccc(OC)c2)C1 19591294 QGDHARIZOADQMP-AREMUKBSSA-N 430.552 3.723 0 40 IHAB COc1cccc(CN2CCC[C@@H](c3nc(N(C)C)ncc3-c3ccc(C(N)=O)cc3)C2)c1 19694595 OBLOVOXTMTWFLG-OAQYLSRUSA-N 445.567 3.697 0 40 IHAB CCOC(=O)[C@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@H]1c1ccc(CC)cc1 19818366 JYFICJGJWVHNNI-YADHBBJMSA-N 435.524 3.751 0 40 IHAB CCN(CC(=O)Nc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(OC)c(C)c1 19929703 YPNFHWNZKILLLL-UHFFFAOYSA-N 431.341 3.960 0 40 IHAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CSc3ccccc3)cc2)n1 20051045 FOSCJDZKPSLFDB-UHFFFAOYSA-N 428.539 3.625 0 40 IHAB CC(C)OCCCNC(=O)c1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)c1ccc(F)cc1 20449710 QCHTVCYNKYXHPN-MRXNPFEDSA-N 434.533 3.511 0 40 IHAB CCc1ccc(S(=O)(=O)NC[C@H](c2cccn2C)N2CCc3ccccc3C2)s1 21153687 CNUQKRJEAXFJBZ-OAQYLSRUSA-N 429.611 3.727 0 40 IHAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CN(c1c(C)cc(C)cc1C)S(C)(=O)=O 22390669 OTKRZJWVEAKODW-GOSISDBHSA-N 445.585 3.545 0 40 IHAB C[C@H](NC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)c1ccc(F)cc1 22536651 PQHLEDBSXQRPJI-INIZCTEOSA-N 434.533 3.693 0 40 IHAB COc1cccc([C@H](c2sc3ncnn3c2O)N2CCN(c3ccccc3F)CC2)c1 22609903 DAZAJPWCYGKFKJ-LJQANCHMSA-N 439.516 3.556 0 40 IHAB CN(C)[C@H](CNC(=O)c1ccc(-n2cnc3ccccc3c2=O)cc1)c1cccc(F)c1 22754771 RSNWLXWFLKUCMT-HSZRJFAPSA-N 430.483 3.558 0 40 IHAB O=C(Cc1cc(O)nc(SCc2ccccc2F)n1)NCCc1c[nH]c2ccccc12 23138330 BXBYWDNLWATCNJ-UHFFFAOYSA-N 436.512 3.996 0 40 IHAB O=C(Cn1nc2c(c1NC(=O)c1cc3ccccc3o1)CSC2)NCCc1ccccc1 23139676 UMXZJJMTFJHLSL-UHFFFAOYSA-N 446.532 3.987 0 40 IHAB O=C(CN1CCOCC1)Nc1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1 23324482 KFECXRDZMPRRKW-UHFFFAOYSA-N 432.524 3.570 0 40 IHAB CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NCc1ccc(CN(C)C)cc1 23961904 AXPLXPIJOLYTTF-FQEVSTJZSA-N 434.005 3.570 0 40 IHAB CCNC(=O)[C@@H](C)OC(=O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1 24107483 DLIODOSVICVPCO-CQSZACIVSA-N 431.945 3.898 0 40 IHAB Cc1cc(N2CCN(Cc3cc4c(cc3Br)OCCO4)CC2)nc(C(C)C)n1 24337712 HMGJIGLDVGSSLG-UHFFFAOYSA-N 447.377 3.764 0 40 IHAB COc1ccc([C@@H]2CCCCCN2C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)cc1 24775157 YTELFJZWRTVSNX-NQIIRXRSSA-N 436.508 3.921 0 40 IHAB O=C(CCc1nc(-c2ccccc2)no1)OCc1cc(=O)n2c(n1)sc1ccccc12 24864584 MMJLSDBGLXPLSF-UHFFFAOYSA-N 432.461 3.635 0 40 IHAB O=C(C[C@H]1C(=O)Nc2ccccc2N1C(=O)COc1ccccc1F)Nc1ccccc1 27017594 RAJGTDFRRKCUOW-FQEVSTJZSA-N 433.439 3.587 0 40 IHAB COC(=O)c1ccc(OC[C@@H](O)COc2ccc(NC(=O)c3cccs3)cc2)cc1 27213828 MDKSQXYCIUJDAL-QGZVFWFLSA-N 427.478 3.606 0 40 IHAB O=C(NCCc1ccccc1)c1c(NC(=O)[C@@H]2COc3ccccc3O2)sc2c1CCC2 27663643 APPPDMUJRQHKQK-FQEVSTJZSA-N 448.544 3.988 0 40 IHAB COC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(Br)cc2Cl)cc1 30521779 OZOFDJGSTYGMMY-UHFFFAOYSA-N 432.723 3.710 0 40 IHAB O=C(c1ccc(O)cc1)N1N=C(c2cccc(Br)c2)C[C@]1(O)C(F)(F)F 32101367 MHUOULSCRWZHOC-INIZCTEOSA-N 429.192 3.656 0 40 IHAB COc1cc(NC(=O)CSc2nc3ncccc3c(=O)n2-c2ccccc2)cc(OC)c1 32876543 ZTCSVHVGGMSRTC-UHFFFAOYSA-N 448.504 3.529 0 40 IHAB CCCSc1nnc(NC(=O)COc2ccc(I)cc2)s1 39989160 ZAQJLGHCMHGYPD-UHFFFAOYSA-N 435.312 3.662 0 40 IHAB C[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)c1nc2ccccc2[nH]1 40069091 POAGRRRQUFESCJ-OLZOCXBDSA-N 427.302 3.556 0 40 IHAB C[C@@H]1CN(S(=O)(=O)CCNCc2ccc(-c3ccccc3Cl)s2)C[C@@H](C)O1 40153283 XIKBUJVEMHEGKR-HUUCEWRRSA-N 429.007 3.597 0 40 IHAB Cc1nccn1C[C@@H](C)CNC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 40156067 HNQJBUTXSWZZCE-HNNXBMFYSA-N 436.478 3.515 0 40 IHAB O=C(NCc1cccnc1-n1cncn1)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 48326799 ZGONRLGNMFMIPZ-UHFFFAOYSA-N 437.479 3.642 0 40 IHAB COc1cc(CCC2CCN(C(=O)C3CCN(C(=O)C4CC4)CC3)CC2)cc(OC)c1 58166167 JXPDZLSAMMEFIS-UHFFFAOYSA-N 428.573 3.524 0 40 IHAB CC(=O)c1ccc(-n2c(C)cn(C[C@H](O)COc3cc(Cl)ccc3Cl)c2=O)cc1 58305377 GJNXRODSASCUHH-SFHVURJKSA-N 435.307 3.897 0 40 IHAB O=C(Cn1c(C(F)(F)F)nc2cc3c(cc21)OCCO3)NCc1ccc(Cl)cc1 64814500 MLSJOUSMPXXMPK-UHFFFAOYSA-N 425.794 3.796 0 40 IHAB C[C@@H](C(=O)Nc1cccc(NC(=O)N(Cc2cccnc2)C[C@H]2CCCO2)c1)n1cccn1 65565656 ZHZFTHXALJFIGR-PGRDOPGGSA-N 448.527 3.691 0 40 IHAB CCOc1ccc(-n2nnc(-c3nsc(NC(=O)c4ccc(OC)cc4)n3)c2C)cc1 67225363 KJOFJEVLSSMYRR-UHFFFAOYSA-N 436.497 3.754 0 40 IHAB O=C(Cn1c(=O)cc(-c2nc(-c3ccccn3)no2)c2ccccc21)Nc1ccc(F)cc1 67318528 KNOZWRVXSWGJAE-UHFFFAOYSA-N 441.422 3.891 0 40 IHAB O=C(Cc1ccccc1)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2CC2CCCCC2)cc1 67896475 PZIGKEGBDRCBLF-ZEQKJWHPSA-N 436.552 3.709 0 40 IHAB biogenic,in-vitro O=S(=O)(c1ccccc1)N1CCCCC[C@H]1C1CCN(Cc2nc(C3CC3)no2)CC1 69925166 KGHOXIFIZZVYCW-NRFANRHFSA-N 444.601 3.793 0 40 IHAB Cc1nc([C@H]2CCCN2C(=O)c2cnn(C)c2C)nc2c1CCCN2Cc1ccc(F)cc1 72372895 MERKPKBQSUWOAD-JOCHJYFZSA-N 448.546 3.896 0 40 IHAB CCCC(=O)N1CCCC[C@@H]1c1cc2nc3c(c(O)n2n1)CN(Cc1ccsc1)CC3 100233820 LFEQAZPYPUPNKS-HXUWFJFHSA-N 439.585 3.908 0 40 IHAB Cc1cccc2s/c(=N/C(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)n(C)c12 100821270 YQIYVNVFFVEQNS-GHVJWSGMSA-N 443.594 3.710 0 40 IHAB O=C(NC1CCCC1)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)sc2c1CCC2 102340181 OWWBZGDRILUOGN-LUVWLHFXSA-N 428.554 3.761 0 40 IHAB CCc1ccc(N2C(=O)C[C@H](c3c(C)[nH]n(-c4nc5ccccc5s4)c3=O)C2=O)cc1 102729779 DTEOAPYOBULKDK-MRXNPFEDSA-N 432.505 3.693 0 40 IHAB CC(=O)O[C@@H]1[C@H](c2ccc(=O)oc2)[C@@]2(C)CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@]23O[C@H]13 118913280 SCULJPGYOQQXTK-SYVLHBKNSA-N 442.552 3.800 0 40 IHAB COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CSc1nc2ccccc2s1 206802168 AWMDUYGDMAUUFU-CZUORRHYSA-N 446.525 3.749 0 40 IHAB CC(=O)c1ccc(N2CCN([C@@H]3CC(=O)N(c4c(Cl)cccc4Cl)C3=O)CC2)cc1 215726155 CJZTYOVIKHIQTJ-LJQANCHMSA-N 446.334 3.650 0 40 IHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 216301317 ZBOWUINTMPSYSM-CQSZACIVSA-N 431.901 3.942 0 40 IHAB CC[C@@H](C(=O)N(C)Cc1ccc(OC)cc1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O 222497412 ITXPCSRJEKCXAY-IBGZPJMESA-N 442.940 3.691 0 40 IHAB COc1ccc(CCNC(=O)[C@H](C)N(Cc2ccccc2)C(=O)COc2ccccc2)cc1 222774225 MMGUJMDZIGBEFJ-NRFANRHFSA-N 446.547 3.850 0 40 IHAB Cc1cccc(CNC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2Cl)c1 222824273 XDTLLERQQPVTIV-UHFFFAOYSA-N 436.961 3.518 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCCOc1ccc2ccccc2c1)c1ccccc1F 223635678 TXZSZNPSQAFDRR-UHFFFAOYSA-N 444.528 3.720 0 40 IHAB COc1ccc(S(=O)(=O)Nc2cc(C(=O)NCc3ccc(F)cc3)ccc2C)cc1 224062037 CLDDSSWYYHJSLZ-UHFFFAOYSA-N 428.485 3.874 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCCOc1ccc(Cl)cc1)c1cccc(Cl)c1 224630079 LTNBQBMHAMAVNL-UHFFFAOYSA-N 445.368 3.735 0 40 IHAB C[C@]1(C(=O)Nc2ccc(OC3CSC3)cc2)CCCN(c2ccccc2)S1(=O)=O 225951315 PBZOGOPSRJQJKV-OAQYLSRUSA-N 432.567 3.508 0 40 IHAB COc1ccccc1[C@@H]1CN(C(=O)C2(C)CCN(Cc3ccccc3)CC2)CCN1C(C)=O 257275531 NPUGYJYPMKHGIY-DEOSSOPVSA-N 449.595 3.729 0 40 IHAB COCCNC(=O)c1sc2nccnc2c1[C@H]1CCCN(Cc2cccc(F)c2)C1 257331239 XRYCGJSBUDLIPV-INIZCTEOSA-N 428.533 3.586 0 40 IHAB CC(=O)N1CCC(Cc2ccc(F)cc2)(C(=O)N2CCC[C@H](c3cncc(C)n3)C2)CC1 257342366 ZOHGXSSDTBZYOW-NRFANRHFSA-N 438.547 3.502 0 40 IHAB C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3cccs3)C(=O)c3ccccc3Cl)C(=O)[C@H]21 408665811 ZLONBLCUXHQWBO-WTANOLMUSA-N 442.924 3.839 0 40 IHAB Cc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(C)cc3)[C@H]2c2ccc(Cl)cc2)cc1 409057426 PVOWQMRARWMRJT-VNGKGULCSA-O 432.931 3.973 0 40 IHAB CCOc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(C)c(Cl)c3)CC2=O)cc1 409137154 WNJHFVZNCPBJKB-HNNXBMFYSA-N 430.888 3.582 0 40 IHAB O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)N1CCc2ccccc2C1 524731285 RLMXAVAKHLGGCW-VWLOTQADSA-N 437.499 3.776 0 40 IHAB biogenic CC[C@@H](NC(=O)Nc1ccc(S(=O)(=O)CC)cc1)[C@@H](c1ccc(C)cc1)n1cncn1 533742102 QTXACEMXAZSIED-NHCUHLMSSA-N 441.557 3.570 0 40 IHAB O=C1NCCN(C(=O)c2ccc(F)c3ccncc23)[C@H]1c1ccc(OC(F)(F)F)cc1 1515706647 JIDRAYACPJMDKP-SFHVURJKSA-N 433.361 3.586 0 40 IHAB Cc1cc(=O)c(O)c(C2(CC(=O)N[C@H]3CCCc4c3[nH]c3ccccc43)CCOCC2)o1 1547139623 WBIUEGRHJOOVMJ-IBGZPJMESA-N 436.508 3.767 0 40 IHAB biogenic CC(=O)N1CCC(N2CCC3(CC2)C[C@@H](Cc2cccc(F)c2)N(CC(C)C)C3=O)CC1 1615155100 ODUCTVYGSZEVQN-XMMPIXPASA-N 443.607 3.718 0 40 IHAB C[C@H]1CN(C(C)(C)CNc2nc(C(F)(F)F)nc3cc4c(cc23)OCO4)C[C@H](C)O1 1615566492 FEQIXZSVUICLHH-RYUDHWBXSA-N 426.439 3.677 0 40 IHAB CO[C@@H]1CCCN2C(=O)c3ccccc3OCCN(Cc3ncccc3F)CCCC[C@H]12 2037980657 CWNYFAQXAZEBPP-ISKFKSNPSA-N 441.547 3.905 0 40 IHAB CCc1ccc(CN(C(=O)[C@H](C)Oc2ccc(C)c(C)c2)[C@H]2CCS(=O)(=O)C2)cc1 2348631 QWKCNUFXNHPOQF-UGKGYDQZSA-N 429.582 3.849 0 40 IHAB COc1ccc(-c2nc3s/c(=C\c4ccc(-c5ccc(F)cc5)o4)c(=O)n3n2)cc1OC 2383735 CAIXXLWIJZXFQG-NDENLUEZSA-N 449.463 3.782 0 40 IHAB O=C(COC(=O)CCC(=O)c1ccc(F)cc1)NCCc1ccc(Cl)cc1Cl 3252418 KPQBPMCDGOYJJY-UHFFFAOYSA-N 426.271 3.998 0 40 IHAB O=C(/C=C/c1ccc(S(=O)(=O)NCc2ccco2)cc1)NCc1cccc(Cl)c1 3310429 GHFGMNYQDOZADJ-DHZHZOJOSA-N 430.913 3.741 0 40 IHAB COc1ccc([C@@H]2[C@H](C(=O)OCC(C)=O)CCC(=O)N2c2ccc(C)cc2)cc1OC 3368209 WUUMIRJQUIKVGI-AUSIDOKSSA-N 425.481 3.629 0 40 IHAB O=C(NCCc1ccccc1)c1ccccc1NS(=O)(=O)c1ccc(F)c(F)c1F 3417395 FTQSKAXDIPMIAI-UHFFFAOYSA-N 434.439 3.877 0 40 IHAB CCc1ccc(S(=O)(=O)N(C(=O)c2ccncc2)c2ccc3oc(=O)sc3c2)cc1 3653960 SHQLSKZSGZHTLV-UHFFFAOYSA-N 440.502 3.848 0 40 IHAB CCn1c(CNc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccccc1OC 6135609 IZRDJGCVADVIKP-UHFFFAOYSA-N 427.530 3.658 0 40 IHAB Cc1ccc(-n2nnc3c(=O)n(Cc4ccc(Br)cc4)cnc32)cc1Cl 8903813 TYZMHSNZDBVDMP-UHFFFAOYSA-N 430.693 3.750 0 40 IHAB Cc1cc(C)c(S(=O)(=O)NC[C@@H](c2cccnc2)S(=O)(=O)c2ccccc2)c(C)c1 9005293 VXYLLLUTOFFHSX-NRFANRHFSA-N 444.578 3.500 0 40 IHAB Cc1ccc(S(=O)(=O)NC[C@@H](c2ccccc2)S(=O)(=O)c2cccs2)cc1C 9106821 HSDMJEFZYQPCGL-IBGZPJMESA-N 435.592 3.858 0 40 IHAB Cc1ccccc1-n1nc2c(c1NC(=O)Cc1cccc3ccccc13)CS(=O)(=O)C2 9391528 KSGIJSZOLUECCJ-UHFFFAOYSA-N 431.517 3.944 0 40 IHAB COc1ccc(C(=O)[C@H]2C(c3ccc(F)cc3)=NO[C@@]23C(=O)Nc2ccccc23)c(OC)c1 9409616 OKKABGCCBXLQPA-PXDATVDWSA-N 446.434 3.924 0 40 IHAB COc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cc(C)cc(C)c2)C1 9525885 NZDGLIQYAZTUAC-OAHLLOKOSA-N 430.888 3.500 0 40 IHAB COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)Nc1ccc(F)c(F)c1 9614221 IBVITPOMBPIXPL-UHFFFAOYSA-N 444.459 3.977 0 40 IHAB Cc1ccc(S(=O)(=O)CCC(=O)N(CCN(C)C)c2nc3c(C)cccc3s2)cc1 9707950 PDPHFHUDANEKLG-UHFFFAOYSA-N 445.610 3.672 0 40 IHAB O=C(C[C@@H]1OC(=O)c2ccccc21)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 9728078 ISYSNRNUEVMSOE-NRFANRHFSA-N 444.443 3.586 0 40 IHAB O=S(=O)(NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1 9742300 VZVFHQHMQXOHSA-SFHVURJKSA-N 443.518 3.520 0 40 IHAB CON(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCC23CC4CC(CC(C4)C2)C3)c1 9766920 XSGHWCDJZNZIIK-UHFFFAOYSA-N 440.993 3.858 0 40 IHAB CCn1c(SCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)nnc1C1CC1 9836081 GNABPRHUTRBDJX-UHFFFAOYSA-N 439.507 3.635 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)c3ccccc3)C2)cc1Cl 9974645 JBTSQPCXPACFQL-RDJZCZTQSA-N 436.961 3.627 0 40 IHAB Cc1cccc(C)c1-n1nnnc1SCCSc1nnnn1-c1c(C)cccc1C 10079062 LORGKDWJRAJGGC-UHFFFAOYSA-N 438.586 3.756 0 40 IHAB O=C1S[C@@H](Nc2cccc3ccccc23)C(=O)N1CCN1C(=O)c2ccccc2C1=O 10152143 SXIZVSKZSZGKTP-LJQANCHMSA-N 431.473 3.569 0 40 IHAB COc1ccc(CCN(C)C(=O)C2=Cc3cc(Br)ccc3OC2)cc1OC 10369968 MZZMKONYIDOGRP-UHFFFAOYSA-N 432.314 3.943 0 40 IHAB CCCCN1C(=O)c2ccc(C(=O)NCc3ccc(NC(=O)c4ccco4)cc3)cc2C1=O 11145617 MCWFPPLAOZAVNM-UHFFFAOYSA-N 445.475 3.858 0 40 IHAB O=C(CCc1ccccc1)Nc1cc(-c2cccs2)nn1-c1nc2c(c(=O)[nH]1)CCC2 11855812 GFJSVBCPUJLVJL-UHFFFAOYSA-N 431.521 3.744 0 40 IHAB COc1ccc(Cl)cc1N1C[C@H](c2nc3ccccc3n2CC(=O)NC(C)C)CC1=O 12062068 FZZACNYMYZIESC-OAHLLOKOSA-N 440.931 3.743 0 40 IHAB COCc1ccc(C(=O)N[C@@H]2CC(C)(C)Cc3nc(N4C[C@H](C)O[C@H](C)C4)ncc32)cc1 12240991 CGXCVTWKPARADT-LLGFUMIMSA-N 438.572 3.680 0 40 IHAB C[C@@H]1c2ccsc2CCN1C(=O)CCn1cnc2ccc(Br)cc2c1=O 12755017 YPEDWMWNXVGEGO-GFCCVEGCSA-N 432.343 3.757 0 40 IHAB Cc1ccc(NCCOc2ccc(Cl)cc2Cl)cc1S(=O)(=O)N1CCOCC1 12793536 CCQOPHNZTFFUEP-UHFFFAOYSA-N 445.368 3.814 0 40 IHAB CCc1ccc(-c2noc(CSc3nnc(COc4ccccc4F)n3N)n2)cc1 13113395 GQIUEFRFLPBWLY-UHFFFAOYSA-N 426.477 3.615 0 40 IHAB O=C(Nc1nnc(Cc2nnc(NC(=O)c3cccs3)s2)s1)c1cccs1 13573993 VGQILRAUJVBUCR-UHFFFAOYSA-N 434.553 3.608 0 40 IHAB CC[C@H](C)c1ccccc1NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 14117111 ZWYPTEPVUHRMLF-PMACEKPBSA-N 443.613 3.842 0 40 IHAB COc1ccc(-c2cc(C(=O)NCc3nnc4ccccn34)c3ccccc3n2)cc1OC 14230957 SEGRZAARWRZIEV-UHFFFAOYSA-N 439.475 3.892 0 40 IHAB COc1cc(C(=O)OCC(=O)N2C[C@H](C)O[C@H](C)C2)ccc1OCc1ccc(Cl)cc1 14903893 LZXQPAOGBPUUGL-IYBDPMFKSA-N 447.915 3.720 0 40 IHAB COc1ccc(CCNC(=O)COC(=O)c2c3c(nc4ccccc24)CCCC3)cc1OC 15481742 HKYYIEPGJZPTFD-UHFFFAOYSA-N 448.519 3.647 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)NCCc2csc3nc(-c4ccccc4F)nn23)c1 15783950 VLKABSHRFRKMNX-UHFFFAOYSA-N 430.530 3.735 0 40 IHAB Cc1nnc2sc(-c3cccc(NC(=O)COc4ccc(Br)cc4)c3)nn12 16363517 HUFNXSWNEDQWDJ-UHFFFAOYSA-N 444.314 3.941 0 40 IHAB Cc1c(NC(=S)NC(=O)c2cccc(F)c2)cccc1-c1nn2c(C)nnc2s1 17094899 XEBNOTKPQJXNIV-UHFFFAOYSA-N 426.502 3.736 0 40 IHAB Cc1ccc(CC(=O)N2CCO[C@@](Cc3ccc(-c4cccs4)cc3)(C(N)=O)C2)cc1 19209804 HTYYMLDQIOHHPY-RUZDIDTESA-N 434.561 3.592 0 40 IHAB COc1cccc(C(=O)N2CCC[C@@](Cc3cccc(-c4ccncc4)c3)(C(N)=O)C2)c1 19564354 RZNLDCCQLPJWTO-SANMLTNESA-N 429.520 3.708 0 40 IHAB CC1CCN([C@H]2CC(=O)N(c3ccc(Br)cc3Br)C2=O)CC1 19830901 DNUXKKBNDCSYOH-AWEZNQCLSA-N 430.140 3.575 0 40 IHAB O=C(NC[C@H](c1cccc2ccccc12)N1CCOCC1)C(=O)Nc1ccccc1Cl 23107749 HLXQYROWFBPJQU-JOCHJYFZSA-N 437.927 3.621 0 40 IHAB CN(C(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)[C@@H]1CCCc2ccccc21 23151300 OCGJDCAGBGQSRC-OAQYLSRUSA-N 430.545 3.762 0 40 IHAB CC(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCN(Cc2ccccc2)C3)cc1 23153802 BIKYKDIBXZDBEO-UHFFFAOYSA-N 433.533 3.860 0 40 IHAB CCn1c(=O)c(C)nc2cc(C(=O)N(C)Cc3cc(Br)ccc3OC)ccc21 23497448 CHINPQOTTWDUJN-UHFFFAOYSA-N 444.329 3.768 0 40 IHAB CCC(=O)N(c1nnc(SCc2nc3sc4c(c3c(=O)[nH]2)CCC4)s1)C1CC1 24716234 ZVBZBAHNHLZVOX-UHFFFAOYSA-N 433.584 3.523 0 40 IHAB CCNC(=O)COc1ccc(NC(=O)c2sc(COc3ccc(F)cc3)nc2C)cc1 25652934 FCDNMQWVZYIRTG-UHFFFAOYSA-N 443.500 3.937 0 40 IHAB Cc1ccnc(-n2c(SCc3cc(=O)n4c(C)csc4n3)nc3ccccc3c2=O)c1 29774011 NQDSDRLBWVIFQR-UHFFFAOYSA-N 447.545 3.759 0 40 IHAB CC(=O)N[C@H](C(=O)OCc1csc(N(C(C)=O)c2cccc(C)c2)n1)C1CCCC1 32860359 DOQNYXXSTYVXKX-FQEVSTJZSA-N 429.542 3.874 0 40 IHAB Cc1nc2c3ccccc3nc(S[C@@H](C)C(=O)N3c4ccccc4NC(=O)C3(C)C)n2n1 32871563 ZNVZAWKJCZSDFQ-ZDUSSCGKSA-N 446.536 3.830 0 40 IHAB O=C(CN1CCC(Nc2cc(C(=O)NC3CC3)c3ccccc3n2)CC1)Nc1ccccc1 32907715 UFMFZJLJUZRNLC-UHFFFAOYSA-N 443.551 3.642 0 40 IHAB COc1c2c(cc3c1[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)N(C)CC3)OCO2 35780901 UANHUPNCALBPHC-QHCPKHFHSA-N 430.504 3.859 0 40 IHAB biogenic COc1cc(Br)c(S(=O)(=O)NC[C@@H]2CCCc3ccccc32)cc1OC 36731034 GYBCVJSTSUJOIO-AWEZNQCLSA-N 440.359 3.865 0 40 IHAB O=C(NCc1ccco1)Nc1ccc(NC(=O)c2nc(N3CCCC3)ncc2Cl)cc1 40153483 SUIBDUBGIGKJMW-UHFFFAOYSA-N 440.891 3.897 0 40 IHAB Cc1cccc(OCC(=O)Nc2cc(-c3ccccc3)nn2[C@@H]2CCS(=O)(=O)C2)c1C 41024929 CYLFLSLTHDSGGT-LJQANCHMSA-N 439.537 3.544 0 40 IHAB Cc1ccc2nc(COc3cccc(NC(=O)Nc4ccc5c(c4)OCO5)c3)cc(=O)n2c1 41077197 JTYQLOJHUNOHGR-UHFFFAOYSA-N 444.447 3.955 0 40 IHAB COc1ccc2c(c1)CCN=C2C[C@H]1CN(C(=O)NC2CCCCC2)CC[C@H]1CC(=O)O 49590468 RVCACXYAHDJYGM-HKUYNNGSSA-N 441.572 3.886 0 40 IHAB biogenic,in-vitro Cc1ccc(-c2nc(Cn3nnc(C(=O)NCc4ccc5c(c4)OCO5)c3C)c(C)o2)cc1 64967693 CMLTUBFOJYFBNE-UHFFFAOYSA-N 445.479 3.565 0 40 IHAB O=C(NC1CCCCC1)[C@H]1CN(S(=O)(=O)c2ccccc2)c2cc(Cl)ccc2O1 64985646 OWMDPNVUMRRCME-HXUWFJFHSA-N 434.945 3.745 0 40 IHAB Cc1ccc([C@H](C)NC(=O)Cn2c(-c3ccc(Cl)cc3)nc(C)c(CCO)c2=O)cc1 67300782 DGWGWIPLLQZRRH-INIZCTEOSA-N 439.943 3.593 0 40 IHAB Cc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccc(Br)cc3)c2C)c(C)c1 67322566 UPFIVOHQFYCVBI-UHFFFAOYSA-N 442.317 3.857 0 40 IHAB Cc1cccc(-c2cccc(C[C@@]3(C(=O)N(C)C)CCCN(C(=O)c4ncc[nH]4)C3)c2)c1 72391523 CHBKSYJCCFADCW-SANMLTNESA-N 430.552 3.938 0 40 IHAB CNC(=O)[C@]1(Cc2cccc(-c3cccc(F)c3)c2)CCCN(C(=O)[C@H]2CCCCO2)C1 72391544 FGWOSEGBGOEFPO-BVAGGSTKSA-N 438.543 3.959 0 40 IHAB CC(C)C(=O)N1CCC(c2cc3nc4c(c(O)n3n2)CN(C[C@H]2CC=CCC2)CC4)CC1 72398764 ZJZWIZBMFPTGAB-SFHVURJKSA-N 437.588 3.511 0 40 IHAB COc1ccc(NC(=O)C2=NO[C@@]3(CCCN(C(=O)c4ccc(C)c(F)c4)C3)C2)cc1 96074370 GISXHIBVYYXOFG-QHCPKHFHSA-N 425.460 3.533 0 40 IHAB O=C(CN1C(=O)N[C@@]2(CCc3ccccc3C2)C1=O)Nc1ccc(Oc2ccccc2)cc1 104470628 KQTZCVWJVKBGAO-AREMUKBSSA-N 441.487 3.897 0 40 IHAB COc1ccc([C@@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1OC 216307143 LUVJTWTUWRBZQP-MRXNPFEDSA-N 440.521 3.996 0 40 IHAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccccc1CCc1ccccc1 219001277 SNQBKGUTMYDNAG-UHFFFAOYSA-N 434.561 3.925 0 40 IHAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccn(-c3ccccc3)c2)N1CCCN1CCOCC1 223206014 YRPHDKCIEBBUQP-DNQXCXABSA-N 447.608 3.567 0 40 IHAB CN(c1ccc(Cl)c(C(=O)NCCOc2ccc(C(C)(C)C)cc2)c1)S(C)(=O)=O 223656294 MHINECOMHMBXAX-UHFFFAOYSA-N 438.977 3.842 0 40 IHAB O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NCCOc1ccccc1 223782977 LRXSRTNNUQMRSL-UHFFFAOYSA-N 444.940 3.731 0 40 IHAB CCCc1ccc(OCCNC(=O)[C@H](CC)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 224314352 GAYPLOPFPDSTNK-QHCPKHFHSA-N 446.613 3.996 0 40 IHAB CCn1c(=O)sc2cc(S(=O)(=O)NCCSc3ccc(Cl)cc3)ccc21 225687931 RHEKJSZJZGLYMR-UHFFFAOYSA-N 428.988 3.807 0 40 IHAB COc1ccc([C@@H](CNC[C@H](O)COCC2=CC[C@H]3C[C@H]2C3(C)C)N2CCCC2)cc1 245228477 ZSFOPVGFBCFPKH-ZCAIMPEWSA-N 428.617 3.792 0 40 IHAB Cc1cc(Nc2nc(C)c(C)s2)cc([C@@H]2CCN(CC(=O)NCc3ccccn3)C2)n1 257212584 CEBRQVUPBVQQJZ-GOSISDBHSA-N 436.585 3.708 0 40 IHAB CN(Cc1ccccc1)C(=O)C[C@H]1CN(C(=O)c2ccno2)CC[C@@H]1Oc1ccccc1 257234077 GRZKCPCZQYLKOG-UNMCSNQZSA-N 433.508 3.633 0 40 IHAB COc1ccc([C@H]2CN(C(=O)C3(c4ccc(Cl)cc4)CCOCC3)CCN2C)cc1 257276880 NVNGORNCZNKOIM-JOCHJYFZSA-N 428.960 3.912 0 40 IHAB CNc1nc([C@H]2CCN(C(=O)c3ccccc3-c3ccccc3)C2)nc2c1CCN(C)C2 257321268 WAWZXEVWGPYEID-IBGZPJMESA-N 427.552 3.803 0 40 IHAB CC(C)(C)C(=O)N1CCC(c2nnc([C@@H]3CCCCN3C(=O)C[C@@H]3CCCCO3)o2)CC1 257337748 YUEPTSFTEQXHNP-OALUTQOASA-N 446.592 3.835 0 40 IHAB CCOC(=O)c1ccc(NC(=O)c2cccc(N3C(=O)[C@H]4CC=C(C)C[C@@H]4C3=O)c2)cc1 408685707 RAXSXCGJXRLFBB-SFTDATJTSA-N 432.476 3.961 0 40 IHAB COCCCNC(=O)c1nc(-c2ccc(Br)cc2)n(-c2ccc(F)cc2)n1 408692967 ZPUBFZNFPLEVQJ-UHFFFAOYSA-N 433.281 3.602 0 40 IHAB CCOc1ccc(/C=C2/SC(=O)N(CCCOC)C2=O)cc1I 409247797 NYVXRDLLCTUNJY-GXDHUFHOSA-N 447.294 3.763 0 40 IHAB COc1ccc(OCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@]2(O)C(F)(F)F)cc1 409357103 IWGKKKASKGEQIT-GOSISDBHSA-N 428.794 3.615 0 40 IHAB O=C1CCc2cc(C(=O)N3CCC[C@@H](NC(=O)c4ccc5ccccc5c4)C3)ccc2N1 531517029 PKBGYDZDRNLOHP-JOCHJYFZSA-N 427.504 3.759 0 40 IHAB O=C(CN1CCC[C@@](O)(COc2ccc(Cl)c(Cl)c2)CC1)NCc1ccccc1 585274280 UZEJDCKWLXGNDX-QFIPXVFZSA-N 437.367 3.906 0 40 IHAB O=C(Nc1cccnc1)c1ccc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 630869 AXTGOALUYDWWCT-UHFFFAOYSA-N 435.427 3.831 0 40 IHAB CCOC(=O)c1ccc(Oc2nc(OC)nc(Oc3ccc(C(=O)OCC)cc3)n2)cc1 816811 XOQXZHOGQRYYPF-UHFFFAOYSA-N 439.424 3.818 0 40 IHAB COc1ccc(C)cc1N(CC(=O)N1CCCCCC1)S(=O)(=O)c1ccc(C)cc1 979197 LYPFQRFNMNEYOD-UHFFFAOYSA-N 430.570 3.910 0 40 IHAB COc1ccc(-n2c(=O)c3c4c(sc3n3c(SC)nnc23)CO[C@H](C(C)C)C4)cc1 1241868 LHLFCISWNXHFBN-HNNXBMFYSA-N 442.566 3.923 0 40 IHAB CCN1CCC[C@@H]1CN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=O)Nc1ccccc1 1342312 XOXXUBSUXBBLRM-HXUWFJFHSA-N 448.523 3.775 0 40 IHAB Cc1cc(OCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)O)c2c(C)c(C)c(=O)oc2c1 2113021 FJNDITZORJKZER-KRWDZBQOSA-N 443.883 3.563 0 40 IHAB biogenic CCOC(=O)c1sc(N[C@H]2OC(=O)c3c2ccc(OC)c3OC)c(C(=O)OCC)c1C 2202636 WOKSPCINWPSKBH-KRWDZBQOSA-N 449.481 3.708 0 40 IHAB CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@@H]1C(=O)O 2560911 PNFSGKNIZOXLKU-YADHBBJMSA-N 436.508 3.625 0 40 IHAB O=C(NC1CCCCCCC1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 3211117 DRTCKWJTLZNDAY-UHFFFAOYSA-N 449.400 3.857 0 40 IHAB CN(CC(=O)Nc1ccc(Cl)cc1)[C@@H]1CCCCN(C(=O)c2ccc(F)cc2)C1=O 3382211 IHVRABSMXRUNEH-LJQANCHMSA-N 431.895 3.571 0 40 IHAB CCOC(=O)C1=C(C)N=C2S[C@@H](CC)C(=O)N2[C@@H]1c1ccc(OC(C)=O)c(OCC)c1 3636704 XVSHPUHKOCXVDA-PKOBYXMFSA-N 446.525 3.612 0 40 IHAB COc1cc(NC(=O)COCc2cc(-c3ccc4c(c3)OCO4)on2)c(OC)cc1Cl 8619078 YGKSWCVRPBLLMC-UHFFFAOYSA-N 446.843 3.896 0 40 IHAB C[C@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccc(-n2cncn2)cc1 8751525 ZQMJTAHDIUSGDO-LBPRGKRZSA-N 435.709 3.939 0 40 IHAB O=C(Nc1cccc(C(F)(F)F)c1)NC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 8828959 DHQXUKWRSTWPTM-UHFFFAOYSA-N 445.438 3.819 0 40 IHAB CCOC(=O)[C@@](NC(=O)c1ccc(F)cc1)(OCc1ccc(OC)cc1)C(F)(F)F 9034152 APNPMTLOGWNFHF-LJQANCHMSA-N 429.366 3.603 0 40 IHAB CCn1c2ccccc2c2cc(NC(=O)c3nc(S(C)(=O)=O)ncc3Cl)ccc21 9061116 KBYCSWGMSLHKNN-UHFFFAOYSA-N 428.901 3.914 0 40 IHAB CCOc1ccc(N2C[C@H](C(=O)Nc3nc4c(s3)C(=O)CC(C)(C)C4)CC2=O)cc1 9191212 STZIVDIYDQJLJP-CYBMUJFWSA-N 427.526 3.689 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(C)c(NS(=O)(=O)c3cccs3)c2)cc1 9376368 CRAYOYLBHQNTHK-UHFFFAOYSA-N 438.552 3.667 0 40 IHAB COc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)c1cc(Cl)c2c(c1)OCO2 9377424 QQDPZEFCQDOMHY-UHFFFAOYSA-N 442.855 3.951 0 40 IHAB COc1ccc(-c2c(C(F)(F)F)oc3cc(OS(C)(=O)=O)ccc3c2=O)cc1OC 9409523 SVPZVHKDJXJLJN-UHFFFAOYSA-N 444.383 3.834 0 40 IHAB biogenic COC(=O)c1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(C)cc2C)cc1 9517755 PWTBZWBOMBZTHQ-UHFFFAOYSA-N 447.520 3.950 0 40 IHAB CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(OCC)cc3)c2C(=O)OC)C1 9639102 YPKQJCSBAIDVQL-UHFFFAOYSA-N 432.498 3.700 0 40 IHAB COc1ccc(-c2ccc3nnc(SCC(=O)Nc4cc(C)ccc4OC)n3n2)cc1 9829055 LUUMLJCQRWQYJN-UHFFFAOYSA-N 435.509 3.848 0 40 IHAB CCOc1ccccc1-n1nnnc1SCC(=O)c1cc(C)n([C@H](C)COC)c1C 9951998 MQDRBDAMVULBFI-OAHLLOKOSA-N 429.546 3.662 0 40 IHAB COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccc(CO)cc2)ccc1Cl 9970916 GVSIFTXHACFJDM-UHFFFAOYSA-N 446.912 3.894 0 40 IHAB COc1ccc(-c2csc(NC(=O)CSc3nnc(-c4cc(C)on4)o3)n2)cc1 10060229 XNFKXEYJTNFZKP-UHFFFAOYSA-N 429.483 3.896 0 40 IHAB COc1ccccc1CNC(=O)C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1 10220745 PMSKPTHNHODPEX-UHFFFAOYSA-N 449.532 3.605 0 40 IHAB COc1ccc(C)cc1-n1nnc(-c2nc(-c3ccc(Br)cc3)no2)c1N 11691840 GDAVVMIPDRIOPY-UHFFFAOYSA-N 427.262 3.646 0 40 IHAB Cc1ccc(-c2cc(C(=O)N(Cc3ccccc3)[C@H]3CCS(=O)(=O)C3)no2)cc1F 11917068 MTCQSUAYAMMYKI-SFHVURJKSA-N 428.485 3.619 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)[C@H](C)N2CCc3ccccc32)c1 12528261 QCVSTTMXFGJIDX-HNNXBMFYSA-N 435.977 3.760 0 40 IHAB Cc1cccc(-c2n[nH]c(=S)n2CC(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 12545480 ZELHAHHBFGKQLL-UHFFFAOYSA-N 427.961 3.918 0 40 IHAB COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Br)ccc1OC 12615485 SFZIYFIELAJRSA-GOSISDBHSA-N 446.301 3.733 0 40 IHAB C[C@@H]1C[C@@H]1C(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OCC(F)(F)F 12784939 YMDWRZWERPPICJ-HIFRSBDPSA-N 434.480 3.787 0 40 IHAB COCCn1c(-c2ccncc2)nn(CN2CCC(C(=O)c3ccccc3)CC2)c1=S 14201361 ZAHFGAMGBAJJOZ-UHFFFAOYSA-N 437.569 3.675 0 40 IHAB O=S(=O)(/C=C/c1ccccc1)N1CCN(c2nc(C(F)(F)F)nc3ccccc23)CC1 14236029 BBIRLHXFCZTTOL-XNTDXEJSSA-N 448.470 3.771 0 40 IHAB CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)Nc1cc(C(C)(C)C)no1 14638297 VPJGIFBCPZEDGW-SFHVURJKSA-N 435.908 3.562 0 40 IHAB Cc1c(Cl)cccc1N1C(=O)C[C@@H](N2CCC(C(=O)Nc3ccccc3)CC2)C1=O 15470082 ORFXRLZDZCNUJR-HXUWFJFHSA-N 425.916 3.631 0 40 IHAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)C[C@@H](C)O1 15906494 SQTZMEJTBPEGQV-OKILXGFUSA-N 442.459 3.756 0 40 IHAB COCCNC(=O)NC(=O)CSc1nc(Nc2ccccc2Cl)c2ccccc2n1 16452667 YRESNXGLCYZBNE-UHFFFAOYSA-N 445.932 3.591 0 40 IHAB COc1cccc(Nc2nc(N3CCN(c4ccc(F)cc4)CC3)nc3c2cnn3C)c1 17148928 GAAPXXSBEUALNN-UHFFFAOYSA-N 433.491 3.581 0 40 IHAB CN(c1ccc(-c2csc(NC(=O)C3=Cc4ccccc4OC3)n2)cc1)S(C)(=O)=O 18086937 LETOHJUNOMBISD-UHFFFAOYSA-N 441.534 3.620 0 40 IHAB Cc1c(C(=O)OCC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)sc2ccccc12 18816010 IIWYATWKGICBGZ-UHFFFAOYSA-N 443.546 3.962 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(c3n[nH]cc3C(=O)N(C)C3CCCCC3)CC2)cc1 19211339 HCFKTAZMOBMLDS-UHFFFAOYSA-N 444.601 3.691 0 40 IHAB O=C(c1cccs1)N1CCc2nc([C@@H]3CCCN(C[C@H]4CC=CCC4)C3)[nH]c(=O)c2C1 19342770 WKAOEZGAOOTWFQ-ZWKOTPCHSA-N 438.597 3.566 0 40 IHAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN3C(=O)c3ccn(C)c(=O)c3)cc2N1 19451278 SWPZIBJBPIAQHX-USXIJHARSA-N 437.466 3.503 0 40 IHAB CCc1nnsc1C(=O)N1CC[C@@](Cc2ccc(-c3cccs3)cc2)(C(=O)NC)C1 19521837 PEJSIAGUXLDJBZ-QFIPXVFZSA-N 440.594 3.650 0 40 IHAB COc1cccc(CC(=O)N2CC[C@@](Cc3ccc(-c4cccs4)cc3)(C(N)=O)C2)c1 19563993 MWCJVJMHAONLKJ-VWLOTQADSA-N 434.561 3.913 0 40 IHAB CN(C)CCNC(=O)c1sc2ccccc2c1[C@@H]1CN(C(=O)CC2CCCC2)CCO1 19696214 XKPWGZKDSMIJHY-IBGZPJMESA-N 443.613 3.673 0 40 IHAB Cc1nc(C2CCN(C(=O)c3cccnc3)CC2)nc2c1CCCN2Cc1ccccn1 19753028 UEYQSKBAWWMDLE-UHFFFAOYSA-N 428.540 3.548 0 40 IHAB O=C(Nc1ccc(F)c(C(F)(F)F)c1)C1CCN(S(=O)(=O)c2ccccc2)CC1 20016448 WKGZWJFYPZHUPM-UHFFFAOYSA-N 430.423 3.884 0 40 IHAB COc1ccc(-c2nn(-c3ccccc3)cc2CN(C)CC(=O)NCc2ccco2)cc1 20689616 IDZWKELFSQLSHB-UHFFFAOYSA-N 430.508 3.889 0 40 IHAB COc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)c2cc(Cl)c3c(c2)OCCO3)cc1 22193779 NWCWLMRJOFXQDB-GOSISDBHSA-N 433.888 3.933 0 40 IHAB Cc1ccc(C)c(N(CC(=O)NCCCc2cccc(OC(C)C)c2)S(C)(=O)=O)c1 22328692 KAAIKGJYHHSWMO-UHFFFAOYSA-N 432.586 3.606 0 40 IHAB CCc1c(C(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)cnn1-c1cccc(Cl)c1 24691694 CCSGJCIIXUTBFA-UHFFFAOYSA-N 427.917 3.658 0 40 IHAB O=C1c2ccc(C(=O)n3cccc/c3=N\C3CCCCC3)cc2C(=O)N1Cc1ccco1 24716135 UWEVCBXNHNBXMJ-XTCLZLMSSA-N 429.476 3.799 0 40 IHAB O=C(Nc1cc2c(cc1Br)OCCO2)c1cccc(NC(=O)[C@H]2CCCO2)c1 24817746 YLXCVLKCBHXLKZ-MRXNPFEDSA-N 447.285 3.590 0 40 IHAB COc1ccc([C@@H](CNC(=O)c2cccc(-n3cnnn3)c2)c2c[nH]c3ccccc23)cc1 24924013 DOQYMKXJVYTZCU-JOCHJYFZSA-N 438.491 3.714 0 40 IHAB CN1CCN(CCCNC(=O)Cc2csc(Cc3ccccc3)n2)[C@@H](c2ccccc2)C1 25264587 BEKKUGUYAPNIGN-XMMPIXPASA-N 448.636 3.771 0 40 IHAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccccc2)c1 28198132 XFZCTNORXJSSIY-UHFFFAOYSA-N 438.505 3.512 0 40 IHAB O=C(c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)N1CCn2c1nc1ccccc12 29377104 DIYUUZHFJSJUTD-UHFFFAOYSA-N 436.468 3.637 0 40 IHAB Cc1cc(=O)c(C(=O)N2CCn3c2nc2ccccc23)nn1-c1cccc(C(F)(F)F)c1 30661392 GQKHEHOYHKIOJO-UHFFFAOYSA-N 439.397 3.570 0 40 IHAB O=C(Cn1c(CN2CCCCC2)nc2sc3c(c2c1=O)CCC3)Nc1ccccc1F 32747299 KAYKPSUYQSIHMW-UHFFFAOYSA-N 440.544 3.710 0 40 IHAB Cc1nc(NC(=O)CN2C(=O)CSc3ccccc32)sc1-c1nccn1C(F)F 32899774 ZFYNIBHOHDXFME-UHFFFAOYSA-N 435.481 3.788 0 40 IHAB Cn1ccnc1[C@@H](NC(=O)[C@H]1CCCN(c2ccc(Cl)nn2)C1)c1ccc(Cl)cc1 32913300 VARDXZIPDLKIBZ-KXBFYZLASA-N 445.354 3.639 0 40 IHAB CCOC(=O)c1cc(C(C)C)sc1NC(=O)CN1CCN(c2cccc(OC)c2)CC1 34863346 QHIGEDFREQDOAI-UHFFFAOYSA-N 445.585 3.818 0 40 IHAB CCOc1cc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)NCc2ccccc2)ccc1O 35851990 NKBFIPOZZNNWSJ-QGDZQMKYSA-N 438.568 3.775 0 40 IHAB O=C(Nc1nc2ccccc2s1)c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1 36708459 JYGAFDIPPODFCC-GFCCVEGCSA-N 444.563 3.833 0 40 IHAB COCCOc1cc(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)ccc1OC 40082442 MMIRRSIDMUGZOM-UHFFFAOYSA-N 445.475 3.672 0 40 IHAB CCOc1ccc(N(CC(=O)N[C@H](CC(C)C)c2ccc(OC)cc2)S(C)(=O)=O)cc1 44843438 XNDZJBDGMYSSDY-JOCHJYFZSA-N 448.585 3.764 0 40 IHAB COc1ccc(CN(C)S(=O)(=O)c2ccc(OC)c(-c3nc(C(C)C)no3)c2)cc1 46020308 CMRMIJYSTFCQRB-UHFFFAOYSA-N 431.514 3.698 0 40 IHAB CCOc1ccccc1NC(=O)Cn1c(=O)n(-c2ccc(C)c(C)c2)c(=O)c2sccc21 57491131 OJCPPLOKOXPWRC-UHFFFAOYSA-N 449.532 3.868 0 40 IHAB O=C(N[C@H](c1nnn[nH]1)c1cc(F)ccc1F)c1csc(-c2cccc(Cl)c2)n1 65552476 NCOOGLAYUUNVPC-HNNXBMFYSA-N 432.843 3.774 0 40 IHAB CCOC(=O)C1=C(CN2CCc3ccccc3C2)NC(=O)N[C@H]1c1cccc(Cl)c1 67205071 ZLJZZZMCDWNSHI-NRFANRHFSA-N 425.916 3.569 0 40 IHAB O=C(NC[C@@H]1CCCO1)c1cc2cc(Cl)ccc2o/c1=N\c1ccc2c(c1)OCO2 67292856 VJDJJXOTPZMXFB-NOAXNCOGSA-N 426.856 3.956 0 40 IHAB Cc1cc(C)n(-c2cc(N3CCC[C@@H](C(=O)Nc4nc5ccccc5s4)C3)ncn2)n1 70638170 FOKICYFERVKDSC-MRXNPFEDSA-N 433.541 3.744 0 40 IHAB COc1cc(CC(=O)N2CCCC[C@@H]2c2n[nH]cc2-c2ccncc2)cc(OC)c1OC 72390611 JHTYKWFBSNCWNJ-LJQANCHMSA-N 436.512 3.794 0 40 IHAB OCCCN[C@H]1c2cc(-c3ccc(F)cc3)cnc2Sc2nc(-c3cccnc3)nn21 72396325 RWJGXKFBYKMTMW-HXUWFJFHSA-N 434.500 3.525 0 40 IHAB CCOC(=O)Nc1ccc(NS(=O)(=O)c2cc(Cl)ccc2OCCOC)cc1 89984754 OUIPUPBBPFXRBQ-UHFFFAOYSA-N 428.894 3.734 0 40 IHAB COc1ccc(OC)c(-c2cc(C(=O)NC[C@](C)(OC)c3ccccc3F)n(C)n2)c1 96123536 GTEWLSVKZBCPHB-QHCPKHFHSA-N 427.476 3.535 0 40 IHAB CC[C@@H](NC(=O)CN1CCN(CCOc2ccc(Cl)cc2)CC1)c1ccc(C)cc1 96833082 WLGHYKPPLHSCAD-HSZRJFAPSA-N 429.992 3.912 0 40 IHAB CC(C)N1CCc2c(nc3cc([C@H]4CCCCN4C(=O)c4ccccc4F)nn3c2O)C1 100234022 WGIPIMFCZCITHF-OAQYLSRUSA-N 437.519 3.708 0 40 IHAB CCOc1ccc(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCCC3)c2)cc1 113939710 ZNNIXHXUTSGQAR-UHFFFAOYSA-N 432.542 3.911 0 40 IHAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)N3CCc4ccccc43)Oc3cc(C)ccc32)cc1 219403362 KXYXCZVQWMMRBC-XMMPIXPASA-N 448.544 3.849 0 40 IHAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1F 222555176 JHFYNJAKCYTBPE-UTKZUKDTSA-N 430.520 3.935 0 40 IHAB COc1cccc(-c2noc(CNC(=O)[C@@H]3CCCN(Cc4ccccc4Cl)C3)n2)c1 222595811 MXWWWXSDJQHWHU-GOSISDBHSA-N 440.931 3.927 0 40 IHAB CC[C@H](C(=O)NCCOc1cc(C)ccc1C)N(c1cc(C)cc(C)c1)S(C)(=O)=O 224035523 STXOSTWSABXCOY-OAQYLSRUSA-N 432.586 3.660 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)Cc3cccc(F)c3)cc2)cc1 224085416 ZOCZJCYUOWBPIE-UHFFFAOYSA-N 428.485 3.907 0 40 IHAB CCN(Cc1ccc(C(=O)NCc2cccnc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 224461539 VNDNVSXODDHZOI-UHFFFAOYSA-N 443.956 3.876 0 40 IHAB COc1ccc(C(=O)NCc2ccccc2)cc1CN(c1ccc(F)cc1)S(C)(=O)=O 224755493 KYNAONLONZMNDQ-UHFFFAOYSA-N 442.512 3.731 0 40 IHAB COc1ccc(C2(NC(=S)Nc3cccc(N(C)S(C)(=O)=O)c3)CCCC2)cc1 225858268 TZECCBNOEVDXJJ-UHFFFAOYSA-N 433.599 3.847 0 40 IHAB CCCN1CCN(C(=O)c2cc(C(C)C)n[nH]2)[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O 257221704 DQDYQYROSHGSGV-XMMPIXPASA-N 445.567 3.901 0 40 IHAB Cc1cc(Nc2ccccn2)cc([C@H]2CN(C(=O)CN(C)Cc3ccccc3F)CCO2)n1 257240439 HTMZSMWPQSNFJR-HSZRJFAPSA-N 449.530 3.700 0 40 IHAB CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)CN1CCCCC1 257312245 UMZQSSYFFYXDPP-AMVJKZIMSA-N 437.628 3.864 0 40 IHAB COc1ccc(F)cc1-c1cccc(CC2(C(=O)N3CCC(O)CC3)CCOCC2)c1 257321194 WANZWWMSGLBFMD-UHFFFAOYSA-N 427.516 3.824 0 40 IHAB CCN1c2cc(OC)c(OC)cc2C(C)=C(C(=O)NC[C@H](C)c2ccccc2)S1(=O)=O 260853280 WIYJICRDCZBBAN-HNNXBMFYSA-N 444.553 3.524 0 40 IHAB C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1ccc2c(c1)CCC2 260926558 JATFVZIVWBJXLN-UZLBHIALSA-N 430.545 3.593 0 40 IHAB C[C@H](CCc1ccccc1)NC(=O)COc1ccc(S(=O)(=O)N2CCCCCC2)cc1 408602657 IPGRYOKSLPLKAI-HXUWFJFHSA-N 444.597 3.768 0 40 IHAB CC(=O)Nc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc(Cl)c2C)cc1 408663850 OVZMMYWMGKELBO-UHFFFAOYSA-N 431.876 3.507 0 40 IHAB O=C(CSc1nnc(CCc2ccccc2)n1-c1ccc(F)cc1)NC[C@@H]1CCCO1 409214487 XNYFRIUOFXTVHQ-FQEVSTJZSA-N 440.544 3.579 0 40 IHAB C[C@@H]1CN(c2ccc(CNC(=O)NC3(c4ccc(F)cc4F)CCCC3)cn2)CCO1 534114653 RSUDLVDCSBLWMV-MRXNPFEDSA-N 430.499 3.854 0 40 IHAB CCC[C@]1(COC)CCCN1C(=O)c1cccc(C(=O)N2CCC[C@]2(CCC)COC)n1 562505497 OPYPGCHYYJCESH-JWQCQUIFSA-N 445.604 3.924 0 40 IHAB CC(=O)N1N=C(S(C)(=O)=O)[C@H](c2ccccc2)n2ncc(-c3ccc(Cl)cc3)c21 1548338192 CXNUZQOAKGFKJU-SFHVURJKSA-N 428.901 3.518 0 40 IHAB C[C@@H]1CN(C[C@@H]2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4c4ccc(Cl)cc4)C[C@@H]3O2)C[C@@H](C)O1 2056225280 IEMIHQRQALFGJM-MJOADJCZSA-N 432.992 3.559 0 40 IHAB Cc1ccc(Cc2c(F)cccc2Cl)c(CC(=O)O[C@H](C)C(=O)O[C@@H](C)C(=O)O)c1 2060993165 ZNRAPIZSWAGHEY-UONOGXRCSA-N 436.863 3.869 0 40 IHAB CC1(C)CC(=O)c2sc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)nc2C1 751863 MHNNZXBWSBVAFC-UHFFFAOYSA-N 447.582 3.725 0 40 IHAB O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1ccc(O)cc1)C2=O)c1ccc(Cl)cc1 991344 RUYGEUFLTYDMTK-UHFFFAOYSA-N 435.819 3.886 0 40 IHAB COc1ccc(C(=O)Cn2nnc(-c3ccccc3NC(=O)c3cccc(C)c3)n2)cc1 1372713 HMJKCOZWLSJLHB-UHFFFAOYSA-N 427.464 3.792 0 40 IHAB CCc1cccc(CC)c1NC(=O)COC(=O)[C@H](C(C)C)N1C(=O)c2ccccc2C1=O 1917023 SSQZVKHNFDRTPE-QFIPXVFZSA-N 436.508 3.614 0 40 IHAB CCC[C@@H](NC(=O)COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C)C(=O)O 2108194 OFKJONSDTLMQJR-HXUWFJFHSA-N 437.492 3.749 0 40 IHAB biogenic COc1ccccc1Cn1c(SCC(=O)Nc2nccs2)nc2ccccc2c1=O 2636205 DPPBECJYFWNWTC-UHFFFAOYSA-N 438.534 3.641 0 40 IHAB O=C(Nc1ccc(Cl)cc1)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(c2ncccn2)C1 4236252 MVWZVQKPTSCHOX-LSDHHAIUSA-N 436.903 3.559 0 40 IHAB biogenic,in-vitro CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc2c(c1)OCO2 4295784 TYSBTGGQQICGBU-UHFFFAOYSA-N 446.916 3.990 0 40 IHAB CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(Cc3cn4cc(C)ccc4n3)CC2)cc1 6657898 KXEVSGQPBGWATR-LJQANCHMSA-N 426.586 3.663 0 40 IHAB CCN1CCc2c([nH]c3ccccc23)[C@@H]1c1c(O)nc(O)n(CCC2=CCCCC2)c1=O 9043160 PHGNPIHHGDQPKR-QFIPXVFZSA-N 434.540 3.994 0 40 IHAB biogenic CCCN1C(=O)C(C)(C)COc2cc(NS(=O)(=O)c3cc(OC)ccc3OC)ccc21 9167392 TWNYNUYEMFKDEX-UHFFFAOYSA-N 448.541 3.666 0 40 IHAB O=C(CCNS(=O)(=O)c1ccccc1Cl)N1CCC[C@@H]1c1nc2ccccc2s1 9256458 UIKOLOTVRQHCCZ-MRXNPFEDSA-N 449.985 3.982 0 40 IHAB CCOC(=O)C1=C(C)Nc2nc(SCc3ccccc3)[nH]c(=O)c2[C@@H]1c1cccnc1 9393848 DWVCDCPROXNOBC-GOSISDBHSA-N 434.521 3.852 0 40 IHAB COc1ccc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)C[S@@](=O)C3)c(OC)c1 9413834 COOMBXLYTGAFBR-GDLZYMKVSA-N 431.901 3.558 0 40 IHAB O=C(c1ccc(-c2ccccc2F)o1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 9415107 GXADZAVUXFXXQB-UHFFFAOYSA-N 446.475 3.762 0 40 IHAB Cc1ccc(CN(C(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)[C@@H]2CCS(=O)(=O)C2)o1 9431335 DFCVOSRMQKVGRJ-HZPDHXFCSA-N 425.934 3.533 0 40 IHAB O=C(c1cccs1)N1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)CC1 9465617 GOHMXXDXJYUFMX-UHFFFAOYSA-N 443.532 3.594 0 40 IHAB COc1cc2c(cc1OC)CN(C(=O)[C@@H]1CCCN(C(=O)c3ccc(Cl)cc3)C1)CC2 9671051 CRAPRAXQYSTINE-GOSISDBHSA-N 442.943 3.794 0 40 IHAB C[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 9836377 DHBNFDQGHWYYEQ-NSHDSACASA-N 440.554 3.554 0 40 IHAB CSc1nc2nc(C)c(CC(=O)N3CCC[C@H]3c3nc4ccccc4s3)c(C)n2n1 10109529 PXTLXNPYGNWTIR-INIZCTEOSA-N 438.582 3.979 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCCN3CCCCCC3)cc2)cc1 10111213 YVBUIIZPQCYRHK-UHFFFAOYSA-N 443.613 3.816 0 40 IHAB C[C@@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)CCNC(=O)c1ccccc1)OCCO3 10365716 SAXMIPSYXNGKEI-GOSISDBHSA-N 434.536 3.993 0 40 IHAB CSc1ncc(Cl)c(C(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)n1 12552776 PUPFJKBHODLELB-UHFFFAOYSA-N 430.883 3.829 0 40 IHAB CCOc1ccc(CCC2CCN(C(=O)c3ccccc3N(C)S(C)(=O)=O)CC2)cc1 12732293 SEHPSAMORAOPEU-UHFFFAOYSA-N 444.597 3.966 0 40 IHAB O=C(Nc1ccccc1Cl)[C@@H]1[C@H]2C=C[C@]3(CN(CCc4c[nH]c5ccccc45)C(=O)[C@H]13)O2 12891570 JKCDUQKQKPKOSA-ILSIFQBBSA-N 447.922 3.785 0 40 IHAB C[C@H](C(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F)N1CCC[C@@H](C(F)(F)F)C1 12940810 VKXJISJMEQXYTL-CHWSQXEVSA-N 439.400 3.765 0 40 IHAB Cc1ccc(-c2csc3nc(CN4CCN(C(=O)c5ccco5)CC4)[nH]c(=O)c23)s1 12987501 SWGHXUOGJRNXCW-UHFFFAOYSA-N 440.550 3.573 0 40 IHAB CCCCN(C(=O)CNC(=O)c1cccs1)[C@@H](C(=O)NC1CCCC1)c1cccs1 13506115 XITLTBOPSFTGLY-HXUWFJFHSA-N 447.626 3.968 0 40 IHAB Cc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)NC3CCN(Cc4ccccc4)CC3)ccc12 13557488 WEQOPNJBCITECF-LJQANCHMSA-N 434.536 3.958 0 40 IHAB CC[C@H](C(=O)NCCSc1ccc(Cl)cc1)N(c1ccccc1)S(C)(=O)=O 13711158 VZNDMPDPJRUBIQ-GOSISDBHSA-N 426.991 3.793 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 13714202 WHZJUIVSKCHGAD-GOSISDBHSA-N 438.933 3.700 0 40 IHAB Cc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)N4c5ccccc5C[C@@H]4C)CC3)CC2=O)cc1 13844549 AAPLBBOJDUSCMX-UGKGYDQZSA-N 445.563 3.564 0 40 IHAB CCn1c(CC(=O)Nc2cc(C)cc(C)c2)nnc1SCC(=O)N[C@H]1CCCC[C@H]1C 13955984 WFWKNZLIKFWGFU-MJGOQNOKSA-N 443.617 3.883 0 40 IHAB C[C@H]1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)c2ccccc2S1 14184933 DUQBIAXHKUPLLR-RCDICMHDSA-N 427.501 3.510 0 40 IHAB CC(=O)N1CCCc2cc(S(=O)(=O)Nc3ccc(Br)cc3F)ccc21 15243625 IAJKLGDOTKMPOT-UHFFFAOYSA-N 427.295 3.688 0 40 IHAB O=C(c1ccc(NS(=O)(=O)c2cccs2)cc1)N1CCN(Cc2ccccc2)CC1 15345308 CNDDVGAEMMTSCY-UHFFFAOYSA-N 441.578 3.507 0 40 IHAB CCOC(=O)[C@H]1CCCN(C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)C1 15346788 ZVKLRSXGRVQHCN-SIKLNZKXSA-N 433.495 3.707 0 40 IHAB O=C(Cc1csc(-c2ccsc2)n1)Nc1ccccc1C(=O)NC[C@H]1CCCO1 15639327 CWSXSFWCFDBZLX-MRXNPFEDSA-N 427.551 3.962 0 40 IHAB Cc1cccc2cc3c(nc12)N(C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)CC3 15842037 CMRBWZXWYGEFIA-UHFFFAOYSA-N 435.549 3.921 0 40 IHAB COc1ccc(OC)c(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(OC(F)F)cc2)c1 15913818 NEJOGNXKNBGRAL-SFHVURJKSA-N 449.479 3.737 0 40 IHAB O=S(=O)(c1cc(Br)ccc1Br)N1CCc2ccccc2C1 16088931 LZTUYJFIVULJEL-UHFFFAOYSA-N 431.149 3.959 0 40 IHAB COc1ccc(C(=O)Oc2ccccc2NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 16216381 ZDDOWWZNDMUCIP-GOSISDBHSA-N 430.460 3.906 0 40 IHAB FC(F)(F)[C@@H]1CCCN(Cn2nc(N3CCOCC3)n(Cc3ccccc3)c2=S)C1 16838026 VWVVRDMKFMVZNE-QGZVFWFLSA-N 441.523 3.531 0 40 IHAB O=C(NC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccc(F)cc1F 16949712 ZANAKSJACMTGRS-UHFFFAOYSA-N 448.779 3.704 0 40 IHAB CCCCOc1ccc(N2C(=O)C[C@H](Nc3cnn(Cc4ccc(F)cc4)c3)C2=O)cc1 17100139 HVBOYJNXYLJZFA-QFIPXVFZSA-N 436.487 3.993 0 40 IHAB O=C([C@H]1COc2ccc(Cl)cc2C1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 18046058 MBVNPIOZBDZETI-CQSZACIVSA-N 425.838 3.654 0 40 IHAB COc1cc2c(cc1CN1CCC([C@H](NC(=O)C(C)(C)C)c3ccccn3)CC1)OCO2 19082018 WCERERVBMDWTHM-QHCPKHFHSA-N 439.556 3.935 0 40 IHAB CC(C)NC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCCN(C(=O)c2ccccn2)C1 19448857 CJWPEUKJKFQWFB-SANMLTNESA-N 443.551 3.528 0 40 IHAB COc1ccccc1CN1C(=O)CCc2c(C)nc([C@@H]3CCCN3C(=O)CC(C)C)nc21 19742022 NFFQWMHZCSYNRA-FQEVSTJZSA-N 436.556 3.983 0 40 IHAB COc1ccc(CC(=O)N2CCCC[C@@H]2c2ncc(C(=O)N3CCCCC3)c(C)n2)cc1 19765741 QRDOYMWDHMSTKW-JOCHJYFZSA-N 436.556 3.716 0 40 IHAB CC(C)COc1cccc(C(=O)NC(=S)Nc2ccc(CN3CCOCC3)cc2)c1 19929078 HJYMGCGAGPXOJS-UHFFFAOYSA-N 427.570 3.680 0 40 IHAB CS(=O)(=O)N(CC(=O)N[C@@H]1CCCc2ccccc21)c1cccc(C(F)(F)F)c1 20107517 CWJOIXARPYVQNT-GOSISDBHSA-N 426.460 3.665 0 40 IHAB COc1ccccc1CN(C)C(=O)c1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1 20107872 PHTBSOKZYFAWNO-UHFFFAOYSA-N 430.570 3.841 0 40 IHAB O=C(CCCn1c(=O)oc2ccccc21)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 21247729 FOKKCLWXMYMJAR-UHFFFAOYSA-N 437.477 3.908 0 40 IHAB CN(C)C(=O)c1cccc(NC(=O)COc2ccc3c(C(F)(F)F)cc(=O)oc3c2)c1 21561466 UAKCJGSLBYHGIO-UHFFFAOYSA-N 434.370 3.531 0 40 IHAB CCOc1ccc(CCCNC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1 22374332 WDEAWTAJQJCVLP-UHFFFAOYSA-N 446.613 3.898 0 40 IHAB CC(C)c1ccccc1N(CC(=O)Nc1ccc(Br)cc1)S(C)(=O)=O 22380519 LBOFEVHASPFLSE-UHFFFAOYSA-N 425.348 3.977 0 40 IHAB O=C(NCCCc1ccccc1Cl)C1CCN(S(=O)(=O)c2cccs2)CC1 22520399 KVIKYTAOWOWPNI-UHFFFAOYSA-N 426.991 3.551 0 40 IHAB C[C@@H](Sc1nnc(CN2CCCC2)n1Cc1ccccc1)C(=O)NC1CCCCC1 22527046 GNZCLSGZCIECPS-GOSISDBHSA-N 427.618 3.852 0 40 IHAB Fc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCN(C3CCCCC3)CC2)cc1 22929116 QMNIXPDBWAYAOR-XMMPIXPASA-N 434.563 3.900 0 40 IHAB C[C@H](NC(=O)[C@@H](C)N1CCN(Cc2ccc(Br)s2)CC1)c1ccccc1 22930671 HODJKOCWVNLJJR-JKSUJKDBSA-N 436.419 3.894 0 40 IHAB O=C(CCN1CCN(CC(=O)Nc2ccccc2Cl)CC1)Nc1cccc(Cl)c1 22932905 PTFRPIDSROORLR-UHFFFAOYSA-N 435.355 3.578 0 40 IHAB O=C(NC1CC1)c1ccc(CN(C2CC2)S(=O)(=O)c2cccc(Br)c2)cc1 23025884 WHHPGDXWVFLENE-UHFFFAOYSA-N 449.370 3.695 0 40 IHAB Cc1ccc(-n2ncc3c(C(C)C)nnc(SCC(=O)NC[C@@H]4CCCO4)c32)cc1C 23137816 SIJFIUYOCILTLZ-SFHVURJKSA-N 439.585 3.943 0 40 IHAB Cn1c(=O)c2ccccc2n2c(CNc3cc(Cl)ccc3OCC(F)(F)F)nnc12 24865750 JTAPYHNENHHCCO-UHFFFAOYSA-N 437.809 3.788 0 40 IHAB Cc1c(CC(=O)N[C@H](CC(C)C)C(=O)O)c(=O)oc2cc3oc4c(c3cc12)CCCC4 26772274 HVDUNLFCBBPVDC-GOSISDBHSA-N 425.481 3.884 0 40 IHAB biogenic CCOC(=O)N1CCC(C(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)CC1 32480022 JEUGEQAMKYADOK-UHFFFAOYSA-N 430.526 3.921 0 40 IHAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 32901172 KZGOHGWXVFXUFB-CQSZACIVSA-N 437.323 3.550 0 40 IHAB NC(=O)c1ccc(CNC(=O)c2cccnc2Oc2cccc(Br)c2)cc1 32931350 ALMYTKKSDJYKRB-UHFFFAOYSA-N 426.270 3.665 0 40 IHAB COc1ccc([C@@H](CNC(=O)c2c3c(nc4ccccc24)CCCC3)N2CCOCC2)cc1 32969218 ATSTXCNPVADIPA-RUZDIDTESA-N 445.563 3.926 0 40 IHAB Cn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1ccc2c(c1)OCCCO2 33087508 ONVBLQYDGPONBF-UHFFFAOYSA-N 436.537 3.715 0 40 IHAB CCC[C@H](C)NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(OC)c(Cl)c1 33627825 FNTVHGGSSGXIQE-HNNXBMFYSA-N 430.998 3.977 0 40 IHAB COCCn1nnnc1[C@@H](c1ccccc1Cl)N1CCN(c2cccc(Cl)c2)CC1 35290790 YPKHFMUVAZYYIJ-HXUWFJFHSA-N 447.370 3.538 0 40 IHAB COc1ccc(-c2cc(C(=O)N3CCN(Cc4ccco4)CC3)c3c(C)nn(C)c3n2)cc1 36613244 PPDPTWBCJFRLQC-UHFFFAOYSA-N 445.523 3.503 0 40 IHAB Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)C(C)(C)C)CC3)cc2)cc1 40717946 SRNBXHHVVNBVQS-UHFFFAOYSA-N 438.597 3.817 0 40 IHAB CCc1ccc(-n2c(=O)c3ccccc3n(Cc3nc(-c4cccs4)no3)c2=O)cc1 44166647 KPEFOVLXYAGRJE-UHFFFAOYSA-N 430.489 3.875 0 40 IHAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ncnc4sccc34)cc2)C1 44273002 ITEUKUJKJGEHBI-ZIAGYGMSSA-N 430.555 3.610 0 40 IHAB Cc1cc(C)c2c(OCC(=O)Nc3ccccc3C(=O)N3C[C@@H](C)C[C@H](C)C3)nn(C)c2n1 58296466 JEYUODBYQXGTKH-HOTGVXAUSA-N 449.555 3.721 0 40 IHAB CC(=O)c1cccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2Cc2ccco2)c1 67236428 DGUMMUUJOCPKPY-UHFFFAOYSA-N 436.493 3.608 0 40 IHAB COc1ccc(OC)c(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2CCC(C)C)c1 67237999 SCLMDQGMOYVWKD-UHFFFAOYSA-N 444.557 3.827 0 40 IHAB Cc1cccc(NC(=O)c2cc(S(=O)(=O)Nc3ccc(Br)cc3)n[nH]2)c1 67244826 FRRJTUAHAUNLQL-UHFFFAOYSA-N 435.303 3.534 0 40 IHAB C[C@@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)NC(=O)Cn1ccc(=O)c2ccccc21 72277534 BEHAZINAVGTMRF-MZNJEOGPSA-N 427.545 3.591 0 40 IHAB CCn1ncc(C(=O)N2CCC(c3nc(NC(C)C)ncc3-c3cc(C)no3)CC2)c1C 72337701 WDIYEPRMSBJJNW-UHFFFAOYSA-N 437.548 3.805 0 40 IHAB O=C(C[C@@H]1CC2(CCN(C(=O)c3ccccc3F)CC2)c2ccccc21)N1CCOCC1 96242179 IBJAEHSIVVWJCT-LJQANCHMSA-N 436.527 3.736 0 40 IHAB O=C(c1c[nH]c2ccccc2c1=O)N1CCC(Oc2cccc(Br)c2)CC1 97136689 XMXDIPNGQPLMGB-UHFFFAOYSA-N 427.298 3.974 0 40 IHAB COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 100123846 KJVGAKSWUZWNON-VABKMULXSA-N 430.460 3.755 0 40 IHAB COc1cccc2[nH]c(C(=O)NC[C@H]3CC[C@H](c4nnc(-c5cnccn5)o4)CC3)cc12 100156129 BEEHIGJVYTVWDC-GASCZTMLSA-N 432.484 3.720 0 40 IHAB O=C1N[C@@H](c2ccc(C(F)(F)F)cc2)[C@@H](C(=O)c2ccccc2)[C@](O)(C(F)(F)F)N1 169688937 OIZHACYCJSJBLX-ZQIUZPCESA-N 432.320 3.809 0 40 IHAB CC[C@H](C(=O)NCCOc1ccccc1C(C)C)N(c1ccc(OC)cc1)S(C)(=O)=O 223821678 RMXJKZDCAYQNPL-OAQYLSRUSA-N 448.585 3.558 0 40 IHAB COc1cccc(N(CCCC(=O)NCCOc2ccccc2C(C)C)S(C)(=O)=O)c1 223823680 MIIZSDTXKMEJFH-UHFFFAOYSA-N 448.585 3.560 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2)cc1 224423130 AWKKUFAONYJMOS-UHFFFAOYSA-N 438.505 3.797 0 40 IHAB CCc1ccc(CC)c(CNC(=O)[C@@H](C)N(c2cc(C)ccc2OC)S(C)(=O)=O)c1 225275671 FWKIXOHGUWKDGH-QGZVFWFLSA-N 432.586 3.599 0 40 IHAB COc1ccc(OCCCC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)C)cc1 225692167 MYMPRJLLXQCERO-HXUWFJFHSA-N 426.557 3.839 0 40 IHAB CC(C)(C)OC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1CCC(=O)Nc1nccs1 257343634 ZTUWXYAITMABTI-MSOLQXFVSA-N 430.574 3.887 0 40 IHAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 260790658 FRFUFUHAGNSBSG-VQTJNVASSA-N 446.569 3.658 0 40 IHAB C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC(c1ccccc1)c1ccccc1 408582184 BUUNXLNRXFHWCT-MRXNPFEDSA-N 428.941 3.913 0 40 IHAB CSc1cccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)c1 408605780 NLQZQROZSWQPSM-OAQYLSRUSA-N 426.563 3.937 0 40 IHAB CCOC(=O)c1ccc(NC(=O)c2ccc(N3C(=O)[C@H]4CC(C)=CC[C@H]4C3=O)cc2)cc1 408682242 KNPDOJLNZNTMRZ-RTWAWAEBSA-N 432.476 3.961 0 40 IHAB CS(=O)(=O)N(CCCC(=O)Nc1ccc(Br)cc1F)c1ccc(F)cc1 408703845 ZLGSJWKZGRMYPH-UHFFFAOYSA-N 447.301 3.912 0 40 IHAB CCOc1ccc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1I 409237549 VFMJOHKWLMOORF-LFIBNONCSA-N 448.260 3.783 0 40 IHAB C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(Cc2nc(-c3ccc4c(c3)OCO4)no2)C1=O 524008103 ZOFSUQLEDODCMG-DEOSSOPVSA-N 442.431 3.586 0 40 IHAB CCN1CCCCCN(C(=O)COC)[C@@H](Cc2ccccc2)COc2ccccc2C1=O 643583259 MRVYTWKITXTHKB-QFIPXVFZSA-N 438.568 3.798 0 40 IHAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3C(C)C)cc2)no1 677011 VOUXUXNAQVPMKR-UHFFFAOYSA-N 429.498 3.925 0 40 IHAB aggregator COc1ccc(/C=C2\N=C(c3cccc(I)c3)OC2=O)c(OC)c1 829619 RWYLMSFRNPNWIL-DHDCSXOGSA-N 435.217 3.653 0 40 IHAB O=C(Nc1ccc2c(c1)OCO2)c1cc2c(=O)n3ccccc3nc2n1Cc1ccccc1 2223845 DEFDSDVPMAAZLU-UHFFFAOYSA-N 438.443 3.679 0 40 IHAB COC(=O)C(C(=O)OC)[C@@H](c1ccc(OC)c(OC)c1)[C@@H](C)C(=O)c1ccc(C)cc1C 2439913 WRXVDLGAJSUFNI-IIBYNOLFSA-N 442.508 3.885 0 40 IHAB CNS(=O)(=O)c1cccc(C(=O)O[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c1 2642946 ZHZNRKSYQHHMFF-QHCPKHFHSA-N 448.500 3.857 0 40 IHAB O=C(CSc1nc2c(c(=O)n1-c1ccc(F)cc1)SCC2)NCc1ccc(F)cc1 2719958 GPVHDRAYPQQHNV-UHFFFAOYSA-N 445.516 3.567 0 40 IHAB O=C(Cc1coc2cc3c(cc12)CCC3)NCC(=O)Nc1ccccc1Br 3323313 PXPKBDXTBOAZJN-UHFFFAOYSA-N 427.298 3.981 0 40 IHAB CC(C)c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 3448188 ZLWNLSRSVYJWJN-UHFFFAOYSA-N 437.568 3.868 0 40 IHAB Cc1cc(C)cc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)O)cc2)c1 6141468 BADFKMASZGUKLB-WOJBJXKFSA-N 430.526 3.934 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCCCCC3)C2)cc1Cl 7604606 JHCDGEJKSMWVLZ-MRXNPFEDSA-N 428.982 3.542 0 40 IHAB Cc1cccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)c1C 8799554 OFWLVVJEQURNRI-UHFFFAOYSA-N 442.471 3.895 0 40 IHAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 9083396 ZAXSAFPXTFHYIW-UHFFFAOYSA-N 446.532 3.945 0 40 IHAB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)c2cc(C)n(-c3nccs3)c2C)c1C 9169054 BEPOSDGOPXYAIL-UHFFFAOYSA-N 429.498 3.712 0 40 IHAB CSc1cccc(NC(=O)CSc2nnc(CC(=O)Nc3ccccc3C)n2C)c1 9263623 GHPPELWMTMCWKC-UHFFFAOYSA-N 441.582 3.757 0 40 IHAB CC(=O)Nc1ccc(NC(=O)CSc2ccc3nnc(-c4ccc(C)cc4)n3n2)cc1 9415108 PMXGQVSBVCPBBM-UHFFFAOYSA-N 432.509 3.789 0 40 IHAB CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1 9451434 UMUJMHZZZZOXRX-SFHVURJKSA-N 435.929 3.882 0 40 IHAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)CSc1nn(-c2ccccc2)c(=S)s1 9465052 DAZKHDSQJIHFFP-UHFFFAOYSA-N 448.570 3.992 0 40 IHAB O=C1CCCN1C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1-c1ccc(Cl)cc1 9508511 HRBRHZQPTOJLQW-UHFFFAOYSA-N 448.331 3.934 0 40 IHAB Cc1cc(NC(=O)CN(C)S(=O)(=O)c2cccc(Cl)c2)ccc1Br 9544582 UHZKTXDLVBDBBQ-UHFFFAOYSA-N 431.739 3.670 0 40 IHAB CCS(=O)(=O)c1cccc(C(=O)Nc2nnc(-c3ccc(Br)cc3)o2)c1 9707736 YFCJXODLGROPEP-UHFFFAOYSA-N 436.287 3.545 0 40 IHAB COC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1-n1cccc1 9737761 QGDMGCVMABMYRR-UHFFFAOYSA-N 433.493 3.575 0 40 IHAB COc1cccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(Cc3ccco3)C2=O)c1 9934164 NXMDWXZNNYFEBP-HXUWFJFHSA-N 437.427 3.794 0 40 IHAB CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2cccc(Br)c2)CC1 10059893 GMMKIABFVUDNOT-UHFFFAOYSA-N 446.345 3.630 0 40 IHAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCCc3ccccc3)cc2)cc1 10110283 SYFXAIGBMFXGGE-UHFFFAOYSA-N 438.549 3.883 0 40 IHAB Cc1ccc(Oc2ccccc2NC(=O)CSc2nnc(SCC(N)=O)s2)cc1 10970823 AFQBQHNUGKZSDP-UHFFFAOYSA-N 446.579 3.947 0 40 IHAB O=C(c1ccco1)N1CCN(c2ncc(-c3ncc[nH]3)c(-c3ccc(Cl)cc3)n2)CC1 12221839 NNKQEFQJEUCDFU-UHFFFAOYSA-N 434.887 3.743 0 40 IHAB COCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1ccc(OC)cc1 12409545 SYFMRRMZVKWXPW-UHFFFAOYSA-N 442.537 3.845 0 40 IHAB NC(=O)CSc1nc(-c2ccccc2)c(NC(=O)C(=O)c2c[nH]c3ccccc23)s1 12442891 RMUMYIODSCKUHL-UHFFFAOYSA-N 436.518 3.690 0 40 IHAB CCn1c(SCC(=O)c2cc(C)n([C@@H]3CCS(=O)(=O)C3)c2C)nc2ccccc21 12541234 SODUXFDCPNIIPI-MRXNPFEDSA-N 431.583 3.809 0 40 IHAB CN(C)C(=O)CNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1Cl 12765299 DHIXJHMYZZTNIR-UHFFFAOYSA-N 447.926 3.618 0 40 IHAB CCc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccc4c(c3)OCO4)c3ccccc32)cc1 12868639 FRXHDQLFTLSUIC-AREMUKBSSA-N 429.472 3.985 0 40 IHAB O=C(NCc1ccccc1)[C@H](c1ccccc1)N(Cc1cccnc1)C(=O)c1csnn1 12874631 ZHEBVUJVARPENN-QFIPXVFZSA-N 443.532 3.633 0 40 IHAB Cc1cc(NC(=O)[C@@H](NC(=O)NCc2ccc(F)cc2)C(C)C)ccc1N1CCCC1=O 12944498 ZTCSRIBMQWNJAC-QFIPXVFZSA-N 440.519 3.723 0 40 IHAB O=C(CCNS(=O)(=O)c1cccc(C(F)(F)F)c1)OCc1c(F)cccc1Cl 13001198 UIPITUJUYOXRAX-UHFFFAOYSA-N 439.814 3.910 0 40 IHAB C[C@@H]1Oc2c(C(=O)N3CCN(CC(=O)Nc4ccccc4Cl)CC3)cccc2[C@@H]1C 13121120 FLWMYHCINQHSPV-CVEARBPZSA-N 427.932 3.621 0 40 IHAB C[C@H]1CCC[C@H](C)N1C[C@H](O)COc1ccc(OC[C@H](O)CN2[C@H](C)CCC[C@H]2C)cc1 13452322 ODYINPFMZIJYIN-STZFLSNASA-N 448.648 3.692 0 40 IHAB COc1ccccc1-c1ccc(N2CCN(C(=O)Nc3ccc(F)cc3F)CC2)nn1 13666675 CFWMAVKOQVOACK-UHFFFAOYSA-N 425.439 3.785 0 40 IHAB C[C@H](C(=O)NCCSCc1ccccc1F)N1c2cccc3cccc(c23)S1(=O)=O 13667638 WTZHZMAMAGPUDU-OAHLLOKOSA-N 444.553 3.926 0 40 IHAB C[C@]1(c2ccco2)NC(=O)N(CC(=O)Nc2ccccc2SCc2ccccc2)C1=O 14067466 ZQBDEQGBJNULSL-HSZRJFAPSA-N 435.505 3.978 0 40 IHAB Fc1cccc(-n2nnnc2SCc2nnc(-c3ccc(Br)cc3)o2)c1 14094283 BLXLCWOCUHTCTD-UHFFFAOYSA-N 433.266 3.906 0 40 IHAB Cc1c(Cl)cccc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 14495177 QAVDTTWEWBQLON-UHFFFAOYSA-N 429.325 3.575 0 40 IHAB O=C1COc2cc(C(=O)NCc3cn(Cc4ccccc4)nc3-c3ccccc3)ccc2N1 14506288 LKTKAAGQSJQTLQ-UHFFFAOYSA-N 438.487 3.859 0 40 IHAB O=C(C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)N1CCc2ccccc2C1 15339000 DYCWYUTVOHAZAK-UHFFFAOYSA-N 434.561 3.825 0 40 IHAB COc1ccc(S(=O)(=O)NCCc2csc3nc(-c4ccccc4C)nn23)cc1C 15783889 JSLDCPSDBZJULV-UHFFFAOYSA-N 442.566 3.604 0 40 IHAB Cc1c(NC(=O)[C@@H](C)N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)ccc(Br)c1Cl 15946617 BYUPTSUDIBDNOR-XWKQNIGYSA-N 439.737 3.769 0 40 IHAB CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)n(-c3ccccc3)n2)cc1 16321380 HNBZAWMHLVTVBU-UHFFFAOYSA-N 433.493 3.694 0 40 IHAB COc1cccc(CN(C(=O)c2oc3ccc(C)cc3c2C)[C@@H]2CCS(=O)(=O)C2)c1 16752798 CAVLHPSFSORXFL-GOSISDBHSA-N 427.522 3.888 0 40 IHAB COC(=O)c1cc(-c2ccccc2)nc2c1c(-c1ccco1)nn2[C@@H]1CCS(=O)(=O)C1 16850621 HQDPFEAXQSIPJI-OAHLLOKOSA-N 437.477 3.505 0 40 IHAB COc1ccc(CNC(=O)CSc2nccn3nc(-c4ccc(OC)cc4)cc23)cc1 16953752 ZBXARJPIJBWWAP-UHFFFAOYSA-N 434.521 3.822 0 40 IHAB Cc1ccc2oc(C(=O)N3CCC[C@H](c4cc(=O)[nH]c(C5CCN(C)CC5)n4)C3)c(C)c2c1 19220384 BNFJNTSXNRAMJA-IBGZPJMESA-N 448.567 3.962 0 40 IHAB CCC(CC)C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)C1CCCCC1)CC2 19500194 ZYQQFNIJMJWQTE-OAQYLSRUSA-N 442.604 3.725 0 40 IHAB CN(C)C(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)c2cnccn2)CC1 19700300 WCQSTZNARYMPMH-UHFFFAOYSA-N 428.536 3.697 0 40 IHAB Cn1cc2c(n1)[C@H](C(=O)Nc1nccs1)CN(C(=O)c1ccccc1-c1ccccc1)C2 19701392 HICNVEFUKQYFDP-HXUWFJFHSA-N 443.532 3.922 0 40 IHAB Cc1nc([C@H]2CCCN(C(=O)c3ccccn3)C2)nc2c1CCC(=O)N2Cc1ccccc1 19739388 ASDLFPPNZXWTOS-FQEVSTJZSA-N 441.535 3.679 0 40 IHAB Cc1nc([C@H]2CCCCN2C(=O)c2ccncc2)ncc1C(=O)NCc1ccc(F)cc1 19766410 JKHSTWDPOCCNCV-OAQYLSRUSA-N 433.487 3.617 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(F)c(F)c2)CC1 20017415 HZEUGDCHEHPIPC-UHFFFAOYSA-N 444.887 3.666 0 40 IHAB COc1ccc(C(=O)N[C@@H](C)c2ccc(SC)cc2)cc1S(=O)(=O)N1CCCC1 20024782 SKZCXTHUIOINOK-HNNXBMFYSA-N 434.583 3.693 0 40 IHAB CCOCCCNc1nc2sc3c(c2c(=O)n1-c1cccc(Cl)c1)CCN(C)C3 20436967 GUNVKOCDTBFUMM-UHFFFAOYSA-N 432.977 3.927 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc2)cc1 20571860 PDDCQYOSOKCLSG-UHFFFAOYSA-N 440.477 3.520 0 40 IHAB COc1ccccc1-c1noc([C@H](C)NS(=O)(=O)c2ccc(Br)cc2)n1 20888938 JJPAOIKITQUNTO-NSHDSACASA-N 438.303 3.547 0 40 IHAB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1)N1CCc2ccccc21 22396092 JJWMFHRSDMYEST-UHFFFAOYSA-N 428.460 3.749 0 40 IHAB CCOC(=O)C1CCN([C@H](c2cccc(F)c2)c2sc3nc(CC)nn3c2O)CC1 22853488 AOEIHJUPVRUWDN-QGZVFWFLSA-N 432.521 3.562 0 40 IHAB CC(=O)NCc1ccc(C(=O)OCc2nnc(-c3ccc(Br)s3)o2)cc1 24172459 ACGVRNLLVJMWMD-UHFFFAOYSA-N 436.287 3.554 0 40 IHAB C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1ccc2c(c1)CCCC2 24275858 KXALJCWRDZUORZ-OXQOHEQNSA-N 432.611 3.905 0 40 IHAB Cc1nc2cc(Cl)ccc2cc1C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 24865780 ZQTLLZOSXAGNHA-UHFFFAOYSA-N 449.985 3.841 0 40 IHAB COc1ccc(-n2cnnc2SCC(=O)NCCSc2ccc(C)c(C)c2)cc1 25754061 JSISPFFIYALNIV-UHFFFAOYSA-N 428.583 3.893 0 40 IHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N(Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 28228511 LQBQJARPEVBOQR-FXAWDEMLSA-N 439.936 3.852 0 40 IHAB C[C@H](NC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1)c1ccc(C(C)(C)C)cc1 30750887 PFCFPPVRYXNZAU-SFHVURJKSA-N 444.597 3.637 0 40 IHAB COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2CCC[C@@]([C@H](C)OC(=O)C=C(C)C)(C1)[C@H]23 31703156 JJCJKGZUGDPHMN-QQMCDRLVSA-N 436.552 3.933 0 40 IHAB biogenic COc1ccc(-c2nnc([C@H](C)n3nnc(-c4ccc(Br)cc4)n3)o2)cc1 32745357 CBZFYQYAWKKXKK-NSHDSACASA-N 427.262 3.771 0 40 IHAB Cc1nc(SCC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)sc1CC(N)=O 32871380 DGGIFGNIEFEDMX-SFHVURJKSA-N 435.571 3.678 0 40 IHAB COc1ccc(OC)c(NC(=O)[C@H]2C[C@H]3CCCN3[C@]23C(=O)Nc2c(Cl)cccc23)c1 35808849 FDSIIYLSNZHBJC-SVLHDBBDSA-N 441.915 3.628 0 40 IHAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)O2 38850612 JVPRPJYIWOCOCZ-INIZCTEOSA-N 448.850 3.833 0 40 IHAB CC[C@H](NC(=O)[C@H](C)NS(=O)(=O)Cc1ccccc1)c1ccc(Br)cc1 40156197 QRIZLGAXQYWRKH-KSSFIOAISA-N 439.375 3.525 0 40 IHAB CC(C)C[C@@H](NC(=O)[C@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O)c1ccccc1 44885466 NKEQHCKTFJTVIQ-FXAWDEMLSA-N 446.569 3.516 0 40 IHAB Cc1c(-c2nc(-c3ccccc3)no2)sc2ncn(CC(=O)NCCC(C)C)c(=O)c12 49421741 JQBMVNDADRKRSY-UHFFFAOYSA-N 437.525 3.646 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2cccc(NC(=O)N3CCCCCC3)c2)cc1C(=O)O 58162115 CAOPIDWKZGVAED-UHFFFAOYSA-N 431.514 3.902 0 40 IHAB O=C(c1cccc(Cl)c1)N1CCCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 58392666 SBRAEDCOWKBYIG-UHFFFAOYSA-N 446.878 3.986 0 40 IHAB Cc1ccc(NC(=O)c2ccccc2)cc1NCc1nnc2n(C)c(=O)c3ccccc3n12 59801629 VDYIHNAJXAHKBV-UHFFFAOYSA-N 438.491 3.754 0 40 IHAB Cc1cc2nc(SCC(=O)Nc3cccnc3Cl)n(-c3ccccc3)c(=O)c2[nH]1 67239454 YFERLPSTMAFUJU-UHFFFAOYSA-N 425.901 3.801 0 40 IHAB O=C(Nc1ccccc1)[C@H](c1ccccc1)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1 71892597 MNGJYGZNVFQZOG-DEOSSOPVSA-N 439.519 3.701 0 40 IHAB COc1ccccc1-c1noc([C@@H](C)NC(=O)[C@@H](NC(=O)c2cccc(C)c2)C(C)C)n1 72303542 OMIYCFHPFMGADQ-UZLBHIALSA-N 436.512 3.685 0 40 IHAB O=C(c1ccccc1)c1ccc(CNS(=O)(=O)c2ccc3c(c2)OCCCO3)s1 96119928 UUANOQGNRUSSKZ-UHFFFAOYSA-N 429.519 3.619 0 40 IHAB COc1ccc(C(=O)CSc2nnc3c(n2)[C@]2(C)CC[C@@H]3C2(C)C)cc1NC(C)=O 100477028 YJOUEYACQOOZQH-FPTDNZKUSA-N 426.542 3.989 0 40 IHAB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(C(=O)OC)cc2)o1 223036129 RLQQQMVZEBNUSD-NHCUHLMSSA-N 437.521 3.747 0 40 IHAB CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)COc1ccc(C(C)(C)C)cc1 223405165 YDWUANCBDHCPLX-QFIPXVFZSA-N 426.557 3.925 0 40 IHAB O=C(Nc1nnc(S(=O)(=O)NCCC2=CCCCC2)s1)c1ccccc1Cl 223789378 RJWMRMCFFQHJTR-UHFFFAOYSA-N 426.951 3.613 0 40 IHAB CC[C@H](C(=O)NCCOc1cccc(C)c1C)N(c1cccc(Cl)c1)S(C)(=O)=O 223938581 SVNULZSONPCFMM-LJQANCHMSA-N 438.977 3.697 0 40 IHAB CCOC(=O)C1CCN(C(=O)c2ccc(OC)c(COc3cccc(OC)c3)c2)CC1 224257039 OGOHEGYDGJWMRZ-UHFFFAOYSA-N 427.497 3.698 0 40 IHAB CC[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)COc1ccccc1OC 224603929 GZLHNUGYHRQMEV-JOCHJYFZSA-N 438.568 3.983 0 40 IHAB CCOC(=O)c1cccc(NC(=S)NCc2nc(-c3ccc(OCC)cc3)no2)c1 225831800 BYPFGABYYALOIU-UHFFFAOYSA-N 426.498 3.799 0 40 IHAB COc1ccc(CNC(=S)Nc2nc(N3CCCCC3)cc(N3CCCCC3)n2)cc1 225930493 OZRBVOAACBYZSD-UHFFFAOYSA-N 440.617 3.952 0 40 IHAB CN(C)c1cc([C@H]2CCCN2C(=O)C2(C)CCN(C(=O)Cc3ccccc3)CC2)ccn1 257207215 BGVDFIIBUYODRA-JOCHJYFZSA-N 434.584 3.683 0 40 IHAB Cc1nc([C@H]2CCN(C(=O)C3CCCC3)C2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 257233172 GOCQCFVWCLJQHQ-IBGZPJMESA-N 436.531 3.910 0 40 IHAB Cc1ccc(CC(=O)N2CC[C@H](c3nc(C)c(CC(=O)NC4CCCCC4)c(C)n3)C2)cc1 257255803 KIXPNWUJRMRNPX-QFIPXVFZSA-N 448.611 3.952 0 40 IHAB Cc1cc(C(=O)N2CCOC[C@H](Cc3ccc4ccncc4c3)C2)nc(N2CCCCC2)n1 257302794 SEKUDESEPBYTFA-OAQYLSRUSA-N 445.567 3.655 0 40 IHAB CN(C(=O)c1cccc(Br)c1O)[C@@H]1CCCC[C@@H](Oc2ccccc2)[C@@H]1O 257316966 VHSTVISYUFLWCJ-QWFCFKBJSA-N 434.330 3.978 0 40 IHAB Cc1ccc(Cl)c(OC[C@@]2(O)CCCN(CC(=O)NCCc3ccccc3)CC2)c1 257327128 XABPTKXFCDGDED-XMMPIXPASA-N 430.976 3.603 0 40 IHAB C[C@@H](C(=O)c1ccccc1)N(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408641895 DIKAFNISVXUFSU-SIPRGPJJSA-N 448.906 3.776 0 40 IHAB COc1ccc(NC(=O)COC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)c2ccccc2)c(OC)c1 408649464 DNJZGZDHTVIURG-ZCVTWQBDSA-N 437.492 3.731 0 40 IHAB CCc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 408656245 IPBHJLWTAMHAAG-WOJBJXKFSA-N 434.492 3.724 0 40 IHAB O=c1/c(=C\c2ccncc2)sc2n1[C@@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 408845383 WIBFZUFOKUOTSN-NLZIUFDSSA-N 439.515 3.853 0 40 IHAB CS(=O)(=O)N(CC(=O)NCCSc1ccccc1)c1cccc(Cl)c1Cl 408925208 NNRSWJINZDFQNM-UHFFFAOYSA-N 433.382 3.668 0 40 IHAB Cc1ccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3cccc(C)c3C)n2C)cc1 409146097 JGNVDOSPGZWPBM-QGZVFWFLSA-N 437.569 3.962 0 40 IHAB O=C(CN1C(=O)S/C(=C/c2cccc(O)c2)C1=O)Nc1ccc(Br)cc1 409168992 OMJOFHBRDYTMBD-OQLLNIDSSA-N 433.283 3.830 0 40 IHAB Cc1ccc(NC(=O)CSc2nnc([C@H](NC(=O)c3ccccc3)C(C)C)n2C)cc1 409169905 RSWGZVXJQNZIRU-HXUWFJFHSA-N 437.569 3.981 0 40 IHAB CC(C)C(=O)Nc1cc(C(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)ccn1 572667101 GXGFTKFOHRJRGW-UHFFFAOYSA-N 430.814 3.552 0 40 IHAB CN(Cc1ccccc1)[C@H]1[C@H](NC(=O)OC(C)(C)C)C[C@@H](Oc2ccc(F)cc2)[C@@H]1O 585262268 JTFRAFZUYGJAQU-CZYKHXBRSA-N 430.520 3.732 0 40 IHAB CCc1ccccc1NC(=O)COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O 1931671 HGBFPIIRIXCASF-UHFFFAOYSA-N 442.471 3.841 0 40 IHAB CC[C@H](C)N1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2cccc(OC)c2OC)C1=O 2100647 KOFQMJHFDMHQST-IJHUGTEESA-N 447.535 3.669 0 40 IHAB biogenic COc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2C[C@H]2CCCO2)cc1OC 2402273 CKNGXGZNVBBRSW-ZHRRBRCNSA-N 435.476 3.843 0 40 IHAB CCOc1ccc2nc(SCC(=O)N(C)CC(=O)Nc3ccccc3Cl)[nH]c2c1 2629173 YOTHLRPQLJRIBF-UHFFFAOYSA-N 432.933 3.804 0 40 IHAB CCN(c1ccc(NC(=O)COC(=O)c2cc(OC)c(OC)c(OC)c2)cc1)C(C)C 3219543 RUBKIBDHCFMJPO-UHFFFAOYSA-N 430.501 3.743 0 40 IHAB COCCCN(CC(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1F 3426965 PWWSCXKBFNOWDN-UHFFFAOYSA-N 448.438 3.510 0 40 IHAB O=C(COc1ccc(Br)cc1Cl)NC(=O)Nc1ccc2c(c1)OCCO2 3445038 VBXWPSPCBNNMTC-UHFFFAOYSA-N 441.665 3.601 0 40 IHAB COc1ccc(-n2nc3c(c2NC(=O)C24CC5CC(CC(C5)C2)C4)C[S@@](=O)C3)cc1 4105956 GAOQHYRVHVSQBK-ILRSUAPQSA-N 425.554 3.798 0 40 IHAB CC1=C[C@H](C)C(COC(=O)CN2CCCCC2)(COC(=O)CN2CCCCC2)[C@H](C)C1 4201047 ZHWAMRJQVFCPPU-FCHUYYIVSA-N 434.621 3.653 0 40 IHAB Cc1cc(C)n(CCCNC(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)n1 7781060 SBARFBVKAHWQLL-UHFFFAOYSA-N 426.590 3.544 0 40 IHAB O=C(Nc1ccc(Br)cc1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 8661441 ITXWCELLFGIICJ-GFCCVEGCSA-N 429.361 3.550 0 40 IHAB CCCN(C(=O)CSc1nc2ccccc2n1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 8703906 LOKNBIBXSPXWKT-GOSISDBHSA-N 443.594 3.543 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc(OC)c(OC)cc2C)ccc1Cl 8705845 GVURYDVROUYFNY-UHFFFAOYSA-N 440.949 3.948 0 40 IHAB COc1ccc(C(=O)COC(=O)c2cc3cc(Br)cc(OC)c3oc2=O)cc1 8843659 LODQFWSXHLYDSG-UHFFFAOYSA-N 447.237 3.612 0 40 IHAB COc1ccc(S(=O)(=O)Nc2nc(C)c(C(=O)NCCCc3ccccc3)s2)cc1 8979040 DAPHPFJALJZPOO-UHFFFAOYSA-N 445.566 3.624 0 40 IHAB CCCCOc1ccccc1-n1c(-c2ccccc2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 9057696 SBWVCVKHCJBVFR-UHFFFAOYSA-N 443.507 3.522 0 40 IHAB CCOc1cc(C)ccc1OCc1nnc(SCC(=O)N2CCc3ccccc32)n1C 9263569 AWURUSSGQWEIDN-UHFFFAOYSA-N 438.553 3.783 0 40 IHAB CCn1c(CC(=O)Nc2ccccc2F)nnc1S[C@H](C)C(=O)Nc1nc(C)cs1 9264028 BBMWOOSGDQDSJS-GFCCVEGCSA-N 448.549 3.503 0 40 IHAB Cc1ccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1C 9442955 ASHPNZZHYIFJSD-UHFFFAOYSA-N 444.553 3.664 0 40 IHAB CCOc1ccc(NC(=O)COC(=O)[C@H](C)SCC(=O)Nc2ccc(C)cc2)cc1 9465129 KQLJJBQPNQCCGZ-INIZCTEOSA-N 430.526 3.636 0 40 IHAB COc1cccc(-n2cnnc2SCC(=O)c2cc(C)n(C[C@H]3CCCO3)c2C)c1 9469059 VUVAMBFGBMZXJQ-LJQANCHMSA-N 426.542 3.848 0 40 IHAB CCCCn1c(SCC(=O)Nc2ccc(CC)cc2)nc2cc(S(N)(=O)=O)ccc21 9546159 DPBHHRMMFDMCQA-UHFFFAOYSA-N 446.598 3.777 0 40 IHAB Cc1cc(C)c2nc(N(CCN(C)C)C(=O)CCS(=O)(=O)c3ccccc3)sc2c1 9604132 CLPACUABRYTSSI-UHFFFAOYSA-N 445.610 3.672 0 40 IHAB O=C(Nc1nc2ccc(F)cc2s1)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 9663957 DBKKUCUXFHFHSB-ZDUSSCGKSA-N 425.532 3.679 0 40 IHAB COC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3sc(C)c(C)c3C(=O)O)c2C)C1=O 9934867 OVBOPDIFSRVSJO-AUWJEWJLSA-N 448.522 3.680 0 40 IHAB Cc1cc(=O)c(C(=O)NCc2coc(-c3cccs3)n2)nn1-c1ccc(Cl)cc1 10880095 JLCJBILJEZALJY-UHFFFAOYSA-N 426.885 3.841 0 40 IHAB CCn1cc(S(=O)(=O)N2CCCCC[C@@H]2c2cc(-c3ccc(OC)cc3)no2)cn1 12159489 HMTXHWLSTJICPR-HXUWFJFHSA-N 430.530 3.873 0 40 IHAB Cc1cnc(C(=O)N2CCC(c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C(C)C)N4)CC2)cn1 12182593 HFHSKKWSZBWUDD-MAUKXSAKSA-N 436.482 3.945 0 40 IHAB COc1ccccc1O[C@H](C)C(=O)N1CCC[C@@H](c2nc3ccccc3cc2C(N)=O)C1 12219714 KQLROBGJWUHMCV-SJLPKXTDSA-N 433.508 3.516 0 40 IHAB O=C(NCc1cc(-c2ccc(Cl)cc2)on1)c1ccc(S(=O)(=O)N2CCCC2)cc1 12235690 KUUVOUJJYVLGRM-UHFFFAOYSA-N 445.928 3.710 0 40 IHAB COc1ccc(CC(=O)N[C@H](Cc2ccccc2)c2nn(C)c3ncccc23)cc1OC 12236043 FBFSKHRBZJUGFF-HXUWFJFHSA-N 430.508 3.628 0 40 IHAB O=C(NCCOc1ccc2nnc(-c3ccccc3)n2n1)c1ccc(Cl)cc1Cl 12443222 RFSSBSRTZCXGDC-UHFFFAOYSA-N 428.279 3.907 0 40 IHAB O=C(c1ccccc1F)N(Cc1cccnc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 12645488 ANRJMRHKWFORTM-UHFFFAOYSA-N 431.423 3.634 0 40 IHAB O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(F)(F)F)c1ccco1 12752911 MPQHPUZHVASPLN-UHFFFAOYSA-N 432.420 3.648 0 40 IHAB Cc1cc(OCC(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)ccc1C(C)C 12762266 LCGKXGFFGGWBQO-UHFFFAOYSA-N 437.584 3.897 0 40 IHAB COc1ccc(OC)c(-c2csc3nnc(SCC(=O)Nc4nccs4)n23)c1 12878933 FODWUPJQDUUQIU-UHFFFAOYSA-N 433.540 3.662 0 40 IHAB CC(C)(C)OC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC(C)(C)C)[C@@H]1/C=C/c1ccccc1 13597523 XPPRYOYKKOSLAZ-KITBNQJHSA-N 430.541 3.956 0 40 IHAB CCn1c(CC(=O)Nc2ccc(C)cc2)nnc1SCC(=O)N[C@H]1CCCC[C@H]1C 13955771 OCTLHFYRVAEWDG-AEFFLSMTSA-N 429.590 3.575 0 40 IHAB COc1ccc(Br)cc1CN(C)C(=O)c1ccc(CN2CCCC2=O)cc1 14119407 XQINHMZIPRLQJJ-UHFFFAOYSA-N 431.330 3.852 0 40 IHAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)c1ccc(CN2CCCCC2)cc1 14188112 XRMVZGDEMUMNQV-GOSISDBHSA-N 435.524 3.593 0 40 IHAB O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 14890878 GZHIYLZCIMNFHF-OAHLLOKOSA-N 444.450 3.562 0 40 IHAB O=C(NN1C(=O)S/C(=C\c2ccc(Br)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 15223473 PDNHIRGQAYDOEJ-ZROIWOOFSA-N 448.254 3.739 0 40 IHAB CN(C)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)cc1 16597182 GCUWYEJSHIPQSV-UHFFFAOYSA-N 441.597 3.671 0 40 IHAB O=C(NN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccccc1Cl 18118468 YJBMGDPGZIJORN-JQBYJRRVSA-N 428.875 3.877 0 40 IHAB CCc1noc(C)c1C(=O)N[C@@H](Cc1cc(=O)[nH]c(-c2ccncc2)n1)c1ccc(F)cc1 19521274 BXAIUPWCEUOGTC-FQEVSTJZSA-N 447.470 3.544 0 40 IHAB CN(C)c1ncc(-c2ccc(F)cc2)c([C@H]2CCCCN2CC(=O)Nc2nccs2)n1 19694438 OKNDOLNQCXVYJT-GOSISDBHSA-N 440.548 3.971 0 40 IHAB Cc1c(C(=O)N2CC[C@H](c3c(C(=O)NCCO)sc4ncccc34)C2)oc2ccccc12 19702239 ZWWDCVIHHKFIRC-HNNXBMFYSA-N 449.532 3.703 0 40 IHAB CCN(C(=O)c1ccnn1C)[C@@H]1CCO[C@H](c2ccc(C(=O)Nc3nccs3)cc2)C1 19712721 SXTATXAGTJDODZ-MJGOQNOKSA-N 439.541 3.511 0 40 IHAB Cc1nc([C@H]2CCCCN2C(=O)c2oc3ccccc3c2C)ncc1C(=O)N1CCOCC1 19765683 UEYJZXLOBODVPP-HXUWFJFHSA-N 448.523 3.679 0 40 IHAB CCOc1ccc(CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1OC 19890002 PQEGDKFKXYUPEQ-UHFFFAOYSA-N 440.565 3.754 0 40 IHAB Cc1ccc(NC(=O)CN2C(=O)[C@]3(SCC(=O)N3c3ccccc3)c3ccccc32)cc1 20573834 CDVSFCQVBUMQPG-RUZDIDTESA-N 443.528 3.913 0 40 IHAB Cn1nnnc1-c1cccc(NC(=O)c2cnn(-c3cccc(Cl)c3)c2C(F)(F)F)c1 21561543 NMCDHWMIEVLEIN-UHFFFAOYSA-N 447.808 3.987 0 40 IHAB COc1ccccc1[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 22459825 IZJDGCYRAWCPLA-HZPDHXFCSA-N 436.961 3.627 0 40 IHAB CC(=O)N(c1nnc(SCc2nc(N)c3c4c(sc3n2)CCCC4)s1)C1CC1 22520999 LEXDSYZCIQJQDB-UHFFFAOYSA-N 432.600 3.811 0 40 IHAB O=C(NCCC(=O)N(Cc1ccc2c(c1)OCO2)C1CCCC1)c1ccc(F)cc1F 22847128 OMVOXKBFWSCFTM-UHFFFAOYSA-N 430.451 3.785 0 40 IHAB CCc1nc2sc([C@H](c3ccc(Cl)cc3)N3CCC(C(=O)OC)CC3)c(O)n2n1 22853597 QNWBSBFGWPSXLA-INIZCTEOSA-N 434.949 3.687 0 40 IHAB COC(=O)c1ccoc1COC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 23508821 MJPRAHOKSSYYGQ-UHFFFAOYSA-N 439.386 3.681 0 40 IHAB Cc1cnc2c(S(=O)(=O)Nc3c(C(C)C)n(C)n(-c4ccccc4)c3=O)cccc2c1 24426025 XTZLIKXCAPLPAZ-UHFFFAOYSA-N 436.537 3.957 0 40 IHAB COc1ccc(CSC2=N[C@H]3CS(=O)(=O)C[C@@H]3N2Cc2ccc(Cl)cc2)cc1 32508586 SQNYYHOQUWRLJC-OALUTQOASA-N 436.986 3.619 0 40 IHAB c1ccc(Cn2c(SCc3nnnn3-c3ccccc3)nnc2-c2cccnc2)cc1 32741611 PVEHZRLKFQHQIQ-UHFFFAOYSA-N 426.509 3.656 0 40 IHAB COc1ccccc1[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(C(C)C)c2)C1)c1nccn1C 48234404 AIEIXTDSTJWVLT-NTKDMRAZSA-N 446.551 3.811 0 40 IHAB COc1cc(OC)cc(-c2noc([C@H](CCSC)N3C(=O)c4ccccc4C3=O)n2)c1 57354843 QIXKDSAKOYUGGJ-SFHVURJKSA-N 439.493 3.844 0 40 IHAB COc1c(Cl)cccc1[C@@H]1NC(=O)N[C@@](O)(C(F)(F)F)[C@H]1C(=O)c1cccs1 57531305 JUKGMNYYUYWCGB-WQGACYEGSA-N 434.823 3.514 0 40 IHAB CCOC(=O)C[C@@H](NC(=O)c1[nH]c(C)c(C(=O)OC(C)C)c1C)c1cccc(OC)c1 58018850 YYWHQYOAZPNBPS-GOSISDBHSA-N 430.501 3.630 0 40 IHAB O[C@H](COc1ccc(Oc2ccccc2)cc1)Cn1nc(N2CCOCC2)sc1=S 58158004 ABGODDZCJIPNEA-INIZCTEOSA-N 445.566 3.743 0 40 IHAB COc1ccc(C)cc1NC(=O)Cn1ncn2nc(-c3cccc4ccccc34)cc2c1=O 67208608 VOMBGUTUFGBWED-UHFFFAOYSA-N 439.475 3.667 0 40 IHAB CCOC(=O)[C@]1(Cc2cc(-c3ccc(F)cc3)no2)CCCN(C(=O)[C@@]2(C)CCCO2)C1 72394118 ZEDJNXJVGOYVAK-RPWUZVMVSA-N 444.503 3.764 0 40 IHAB CC(C)n1cc(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c2ccccc2c1=O 72402593 MQANWSFSRXGPQJ-UHFFFAOYSA-N 444.457 3.959 0 40 IHAB CCN1c2ccccc2C(c2ccccc2)=C(C(=O)Nc2ccc3c(c2)OCO3)S1(=O)=O 219185101 FBLHUGMZMDOZBV-UHFFFAOYSA-N 448.500 3.983 0 40 IHAB COc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3ccc(C)c(C)c3)n2)c(OC)c1 219522958 AGJOOYXDJHTPMC-MRXNPFEDSA-N 425.485 3.797 0 40 IHAB COc1ccc(CN(C)C(=O)[C@@H](C)N(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 220187589 VQHVYGXOAXXSOA-CQSZACIVSA-N 444.475 3.527 0 40 IHAB CCc1ccc(N([C@@H](C)C(=O)Nc2cc(OC)c(Cl)cc2OC)S(C)(=O)=O)cc1 220279749 YVWKIUITBBGWNL-ZDUSSCGKSA-N 440.949 3.713 0 40 IHAB CCCCNC(=O)c1ccccc1NC(=O)c1cc(N(C)S(C)(=O)=O)ccc1Cl 222497932 YHNFLBARJVRSBK-UHFFFAOYSA-N 437.949 3.518 0 40 IHAB COc1ccc(N(C)C(=O)COc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)cc1 222692189 YBWHDQMLZZPUPX-UHFFFAOYSA-N 440.521 3.846 0 40 IHAB Cc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1)CC(C)(C)O2 222703088 HMLXMYKFYMWUQB-OXQOHEQNSA-N 446.569 3.577 0 40 IHAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NCCc1ccc(OC)c(OC)c1 222826696 AMLHSZPGRSBNFG-MRXNPFEDSA-N 432.948 3.843 0 40 IHAB CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc(OC)c(OC)c1 222926966 JQBFRSSHHIRRBG-MRXNPFEDSA-N 432.948 3.843 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2cc(-c3cccc(F)c3)[nH]n2)cc1 223047866 UCYFGOPXSYTDPC-UHFFFAOYSA-N 444.532 3.818 0 40 IHAB Cc1cc(C(=O)O)ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)o1 223633459 FOCQNDDDKGVFPL-RTWAWAEBSA-N 437.521 3.703 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC(C(C)C)C(C)C)cc2)cc1OC 223990397 PGYCFPYZRZITPM-UHFFFAOYSA-N 434.558 3.915 0 40 IHAB Cc1ccc(C)c(OCCNC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)c1 223998455 VWRCSHLTJASTKT-UHFFFAOYSA-N 438.549 3.937 0 40 IHAB Cc1ccccc1CS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2F)cc1 224546691 AGSJKHSCKRAMJN-UHFFFAOYSA-N 434.514 3.877 0 40 IHAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(OC)cc1 224739733 ZGLZEYRBBBJUPP-JOCHJYFZSA-N 430.520 3.793 0 40 IHAB CC[C@H](C(=O)NCCSC1CCCC1)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O 225295058 IEXPWIARPURHLU-GOSISDBHSA-N 433.039 3.985 0 40 IHAB COc1ccc(C2(C(=O)N3CC[C@]4(C3)CN(c3ccccc3)C(=O)CO4)CCCCC2)cc1 257312139 UMQFQVSHIMPNLN-SANMLTNESA-N 448.563 3.932 0 40 IHAB Cc1cnc(C(=O)NC[C@H]2CC[C@H](c3cc(C(=O)N(C)C)c4ccccc4n3)CC2)cn1 257328650 XGOOZHPCFPFSDL-IYARVYRRSA-N 431.540 3.739 0 40 IHAB CCCNC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(C(=O)[C@@H]2CCCO2)CC1 257336266 YNSGUBFKYBVLNL-QHCPKHFHSA-N 435.568 3.605 0 40 IHAB CC[C@H](C(=O)N[C@H](C)c1cc(OC)ccc1OC)N(c1cc(C)ccc1C)S(C)(=O)=O 260815281 VLDGRAUKYTYKOM-YLJYHZDGSA-N 448.585 3.743 0 40 IHAB COc1ccccc1N(CCCC(=O)N[C@H](C)c1ccc2c(c1)CCC2)S(C)(=O)=O 260930942 LIXMLLATDAZVKS-QGZVFWFLSA-N 430.570 3.608 0 40 IHAB Cn1cccc1C(=O)N1CCC2(CC1)Oc1ccccc1-c1c2cnn1CCN1CCCC1 306129501 IFEIJVLXHZYFNV-UHFFFAOYSA-N 445.567 3.508 0 40 IHAB Cc1cccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@H]4C3=O)cc2)c1 408657807 HRNOUWQWEUCLSI-MAODMQOUSA-N 434.492 3.716 0 40 IHAB COC(=O)c1ccc(C)c(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c1 408923457 CTKXSDCWLHEFTF-UHFFFAOYSA-N 438.505 3.616 0 40 IHAB COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1ccc(OC)c(Cl)c1 409073951 UYAABRPEDQXLLD-BOPFTXTBSA-N 446.912 3.505 0 40 IHAB Cc1ccc(NC(=O)Cc2nnc(SCC(=O)Nc3ccc(C)c(Cl)c3)n2C)cc1 409332299 QDESPBHWLCWVCC-UHFFFAOYSA-N 443.960 3.997 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(F)cc3)C2)cc1Cl 409393849 YQHRRYHWSFDZFR-ZDUSSCGKSA-N 426.897 3.527 0 40 IHAB Cc1cc(OCC(=O)Nc2ccc(OCCN(C)C)cc2)c2c3c(c(=O)oc2c1)CCC3 524734779 MUTFAPBCXXZKCO-UHFFFAOYSA-N 436.508 3.548 0 40 IHAB CN(C)S(=O)(=O)c1cccc2c1CCN(C(=O)C1(c3ccc(F)cc3F)CCCC1)C2 556477573 UTDMMFFGMIWYIS-UHFFFAOYSA-N 448.535 3.612 0 40 IHAB O=C(NC1(c2ccc(Br)cc2)CCC1)[C@H]1CCS(=O)(=O)c2ccccc21 560043971 ZYZGNCHMLOXLBT-KRWDZBQOSA-N 434.355 3.906 0 40 IHAB O=S1(=O)CC[C@@H](N(CCNCc2ccccc2Cl)Cc2ccccc2Cl)C1 575420897 KWZJJPYXUNQCFC-GOSISDBHSA-N 427.397 3.772 0 40 IHAB Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c1C 631051 WVZCBSSBRRDPJB-IRXDYDNUSA-N 430.570 3.970 0 40 IHAB COc1ccc(NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)c(OC)c1 839587 BRGDXNBJZPLKNS-UHFFFAOYSA-N 440.521 3.922 0 40 IHAB Cc1cc2cc3c(cc2n2c(SCC(=O)N4CCc5ccccc54)nnc12)OCCO3 877387 UVQNQSZAJNXWFE-UHFFFAOYSA-N 432.505 3.644 0 40 IHAB C[C@@H]1CCCCN1C(=O)CSc1nnc2c3cc(Br)ccc3n(C)c2n1 1366228 QKQORYQVMNUKNI-LLVKDONJSA-N 434.363 3.772 0 40 IHAB COc1ccc(CN(Cc2cc3cc(C)ccc3n3nnnc23)C(=O)c2ccncc2)cc1 1376964 CFTDLIODXJYBGD-UHFFFAOYSA-N 438.491 3.832 0 40 IHAB COc1ccccc1-c1nc2s/c(=C\c3ccc(-c4ccc(C(C)=O)cc4)o3)c(=O)n2n1 2366242 LKQRSZHTPZVPAL-BKUYFWCQSA-N 443.484 3.837 0 40 IHAB CC(C)C[C@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2ccccc2F)o1 2415691 RNKFWCAPHMTJBF-HNNXBMFYSA-N 427.498 3.795 0 40 IHAB COc1ccc(CNC(=O)[C@H](C)OC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)cc1 3302116 QWNQRQWWOOJDKF-INIZCTEOSA-N 441.915 3.764 0 40 IHAB COc1cccc(/C=C/C(=O)OCC(=O)c2cc(C)n(C[C@H]3CCCO3)c2C)c1OC 3338523 SJQFUGHLSKTHRI-GNISGLHKSA-N 427.497 3.740 0 40 IHAB Cc1ccccc1NC(=O)[C@@H](C)OC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 3468933 NCXWIIXQUWTDKD-QGZVFWFLSA-N 427.460 3.878 0 40 IHAB Cc1cccc(N(CC(=O)NC2CCCCC2)C(=O)CCC(=O)Nc2cc(C)ccn2)c1 4092502 BHPQALJTXJYMBK-UHFFFAOYSA-N 436.556 3.899 0 40 IHAB CCOc1ccc(NC(=O)CSc2nnc(CSc3nc(C)cc(C)n3)o2)cc1 6601156 SDIKNVBBCHQCMW-UHFFFAOYSA-N 431.543 3.898 0 40 IHAB O=S(=O)(c1ccc(Nc2cccc(-c3nnc4n3CCCCC4)c2)nc1)N1CCCC1 8826435 KJPSUSDEHJDUMS-UHFFFAOYSA-N 438.557 3.595 0 40 IHAB COc1ccc(N(CC(=O)Nc2ccc(F)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 8918829 NNIAJILYICUNGF-UHFFFAOYSA-N 432.448 3.807 0 40 IHAB O=C1C[C@@H](N(CCc2ccccc2)C(=O)c2cccc(F)c2)C(=O)N1c1ccc(F)cc1 8952188 BZQNEGBZXJLRFO-JOCHJYFZSA-N 434.442 3.982 0 40 IHAB O=C(NC[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)NC(c1ccccc1)c1ccccc1 9065892 XYWOMBVFAQRVDI-GOSISDBHSA-N 443.503 3.857 0 40 IHAB O=C(Nc1cccc(I)c1)[C@@H]1CCCN1C(=O)c1cccs1 9156327 UIXOZNGSFDSXPN-ZDUSSCGKSA-N 426.279 3.596 0 40 IHAB Cn1c(=O)c2c(nc3n(-c4ccccc4)c(-c4ccc(Cl)cc4Cl)cn23)n(C)c1=O 9192746 YLRLPHOGGVWZML-UHFFFAOYSA-N 440.290 3.649 0 40 IHAB O=C(CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O)Nc1ccc2c(c1)CCC2 9193564 DGHOGIXKASFSDP-HHHXNRCGSA-N 439.515 3.804 0 40 IHAB Cc1ccc2c(=O)cc(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)oc2c1C 9194731 MRLPVFYEXCHIJD-UHFFFAOYSA-N 428.491 3.675 0 40 IHAB COc1cc(NC(=O)CSc2nc3cc(Br)c(C)nc3[nH]2)cc(OC)c1 9307705 FPFHEKPLLYYVJD-UHFFFAOYSA-N 437.319 3.777 0 40 IHAB CCCCCn1nc(C(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)c2ccccc2c1=O 9353337 DKBOXTPNBFBJRG-UHFFFAOYSA-N 446.551 3.752 0 40 IHAB CCc1ccc(NC(=O)CSc2nc3nccnc3c(=O)n2Cc2ccc(F)cc2)cc1 9405327 HHNMAJZOMPMMEI-UHFFFAOYSA-N 449.511 3.667 0 40 IHAB COc1ccc([C@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2CCCO)cc1 9446273 QCFIPKZPDZJBBD-NRFANRHFSA-N 427.888 3.680 0 40 IHAB O=C(COC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)Nc1ccc(SC(F)F)cc1 9561975 XYOPQWWLTMHFMQ-HNNXBMFYSA-N 434.464 3.532 0 40 IHAB C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)C(c2ccccc2)c2ccccc2)C1=O 9703823 WFABTSRMLMPHFG-AREMUKBSSA-N 427.504 3.793 0 40 IHAB COc1ccc(C(=O)N(C)[C@H](C)c2nc3ccccc3s2)cc1S(=O)(=O)NC1CC1 9799302 POALTMYRPOMVJY-CYBMUJFWSA-N 445.566 3.579 0 40 IHAB CC(=O)C[C@@]1(O)C(=O)N(CCCOc2cccc(C)c2)c2ccc(Br)cc21 9872981 QWDVUZPPHNYTSH-NRFANRHFSA-N 432.314 3.740 0 40 IHAB COc1ccc(Br)c(CN2N=N[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]32)c1 9939934 RMSJMRZAIHEIGJ-HOTGVXAUSA-N 449.692 3.605 0 40 IHAB CCOc1ccc(OCC)c(NC(=O)Cn2nnc(-c3ccccc3Br)n2)c1 10925273 ZEOBRZNDITXZRT-UHFFFAOYSA-N 446.305 3.539 0 40 IHAB CC(=O)Nc1ccc(-c2csc(NC(=O)c3cccc(S(C)(=O)=O)c3)n2)c(F)c1 10993599 VVCLTHLVMZXCIK-UHFFFAOYSA-N 433.486 3.563 0 40 IHAB Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)OCC(=O)N[C@@H]4CCCC[C@H]4C)cc3C2=O)c1 11184903 OIGSXDCTTRQHGT-IIBYNOLFSA-N 448.519 3.956 0 40 IHAB COc1cc(CCC2CCN(C(=O)CCn3cnc4ccccc4c3=O)CC2)cc(OC)c1 11250542 UTCPEXCSURZIQA-UHFFFAOYSA-N 449.551 3.675 0 40 IHAB COc1cccc2c(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)cc(C)nc12 12324501 NKZAQDJGJFYSDL-UHFFFAOYSA-N 425.510 3.589 0 40 IHAB O=C(N[C@@]1(C(F)(F)F)NC(=O)N(c2ccccc2)C1=O)c1ccc(Cl)cc1Cl 12376665 AMMIUNCEJVVHKL-MRXNPFEDSA-N 432.185 3.738 0 40 IHAB O=C(c1cccnc1Sc1ccc2c(c1)OCCO2)N1CCN(c2ccccc2)CC1 12586852 OFPRAEZGDVNQEX-UHFFFAOYSA-N 433.533 3.966 0 40 IHAB COc1ccc(NC(=O)CN(C)C(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)cc1 12688436 WFCPXLVQWSBJBS-HSZRJFAPSA-N 444.487 3.860 0 40 IHAB CCCN(Cn1nc(-c2ccc(Cl)cc2)n(CC)c1=S)[C@@H]1CCS(=O)(=O)C1 12813250 GPVNPKPUIGUODL-MRXNPFEDSA-N 429.011 3.611 0 40 IHAB Cc1cc(C(=O)N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c2nc3n(c2n1)CCCCC3 12822091 MKSZUMKBBOZFMC-INIZCTEOSA-N 440.569 3.703 0 40 IHAB COc1ccc(C)cc1-n1nnnc1SC[C@H](O)COc1cc(Cl)ccc1Cl 12900896 GJSYKACGUAMGLC-CYBMUJFWSA-N 441.340 3.818 0 40 IHAB C[C@@H](CCc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 12923564 BXYFYIIUBOCUQM-INIZCTEOSA-N 436.524 3.503 0 40 IHAB O=C(CN1c2cccc3cccc(c23)S1(=O)=O)N[C@H]1CCSc2c(F)cccc21 12928141 ZBFAHWRBYYOZDV-INIZCTEOSA-N 428.510 3.841 0 40 IHAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(-c4nnc5n4CCCCC5)cc3)CC2=O)cc1 12938584 JUOMVNOMWBQBDW-IBGZPJMESA-N 429.524 3.972 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCSc4c(F)cccc43)CC2)cc1 12983304 XVYZWDYPFCUDLE-FQEVSTJZSA-N 448.585 3.888 0 40 IHAB O=C(c1csc2c1CCCC2)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 12993510 PCVFZJUPNMCVQJ-UHFFFAOYSA-N 442.965 3.566 0 40 IHAB O=C(COC(=O)CCCc1nc2ccccc2s1)Nc1ccccc1C(=O)NC1CC1 13068335 JNUHJUUQUIWFRP-UHFFFAOYSA-N 437.521 3.693 0 40 IHAB CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)CN1CSCC1=O 13163353 HJVJMLSNSKMZCR-UHFFFAOYSA-N 440.956 3.684 0 40 IHAB O=C(Cc1ccccn1)N1CCC(c2nc3ccccc3cc2C(=O)N2CCCC2)CC1 13267646 XZNJIXAULRPZNZ-UHFFFAOYSA-N 428.536 3.815 0 40 IHAB COc1ccc(/C=C2\SC(=O)N(CC(=O)NCCc3c[nH]c4ccccc34)C2=O)cc1 13575922 GMYVKHFWLCLUQE-NDENLUEZSA-N 435.505 3.572 0 40 IHAB COc1cc([C@H]2OC[C@H]3[C@H]2CO[C@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 13660259 HRLFUIXSXUASEX-NLZGTENKSA-N 446.496 3.813 0 40 IHAB biogenic,in-vitro CCOc1ccc(S(=O)(=O)Nc2ccc(CC(=O)NCc3cccs3)cc2)cc1 13850375 ZOTZUBRWBSSZDT-UHFFFAOYSA-N 430.551 3.807 0 40 IHAB O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2)NC1CCN(Cc2ccccc2)CC1 14139812 NFXZQBJAQARFFD-XMMPIXPASA-N 449.595 3.766 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)cc1 14241613 JMWRWXSCTMCDIL-QFIPXVFZSA-N 441.553 3.620 0 40 IHAB Cc1ccc(-n2c(SCC(=O)N3CCOCC3)nnc2-c2cc3ccccc3o2)cc1 15018945 LPNFOJRCLDMBGG-UHFFFAOYSA-N 434.521 3.940 0 40 IHAB CC(=O)c1ccc(N2CCN(C(=O)Cc3cc(Cl)c4c(c3)OCCCO4)CC2)c(F)c1 16263470 CJXIVMXSAYRLFE-UHFFFAOYSA-N 446.906 3.734 0 40 IHAB CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(NC(=S)NC(C)=O)cc2)cc1 16639192 GILYKCGTWHAHPH-UHFFFAOYSA-N 444.582 3.825 0 40 IHAB CC(C)(C)OC(=O)N[C@@H](CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)N1CCCC1 16697016 HAQHWJDCOZSCTI-KRWDZBQOSA-N 425.570 3.539 0 40 IHAB O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN21 18068546 DUBAAHJGMOUHKK-AFXVXQJMSA-N 439.446 3.587 0 40 IHAB COc1cc(CC(=O)N2CCC[C@H](c3nc(C)n4ccsc34)C2)cc(OC)c1OC 19240755 XQMDLJQDVMTVDA-INIZCTEOSA-N 429.542 3.679 0 40 IHAB CCOc1ccccc1CN1CCC(O)(Cn2cnc3sc(C)c(C)c3c2=O)CC1 19520169 UQOGEPWNEIZSNM-UHFFFAOYSA-N 427.570 3.501 0 40 IHAB CCN1CCN(C(=O)c2cnn(C(C)C)c2)C[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O 19527391 AFKFZVNQHGRXBD-QHCPKHFHSA-N 445.567 3.689 0 40 IHAB Cc1c(CN2CCC[C@](Cc3cccc(-c4cccnc4)c3)(C(=O)N(C)C)C2)cnn1C 19553623 ROKYWDCPQFWCIV-AREMUKBSSA-N 431.584 3.704 0 40 IHAB COc1cccc([C@H]2CN(C(=O)c3ccccc3)[C@@H]3CCN(C(=O)c4ccncc4)C[C@H]23)c1 19566293 URKZTEISBYRAJW-UBFVSLLYSA-N 441.531 3.861 0 40 IHAB Cc1cccc(Cc2cc(C)nc([C@H]3CCCN3C(=O)CCN3C(=O)NC(C)(C)C3=O)c2)c1 19692080 GWMPYVAPCYEBKQ-JOCHJYFZSA-N 448.567 3.673 0 40 IHAB COc1cccc(CN2C(=O)Cc3c(C)nc([C@@H]4CCCN(C(=O)C5CCCC5)C4)nc32)c1 19743823 WMUHRNJQGRWQEH-HXUWFJFHSA-N 448.567 3.779 0 40 IHAB COC(=O)[C@@H](N[C@H]1C2=C(CCCC2)C(=O)N1Cc1ccc(F)cc1)c1cccc(OC)c1 19798064 YAFVFQOVUCDTMT-XZOQPEGZSA-N 438.499 3.877 0 40 IHAB COc1ccc(CCNC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2C)cc1 20061631 PPZZFPYNCCGLHA-UHFFFAOYSA-N 430.570 3.541 0 40 IHAB CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=S)NC(=O)c2ccco2)CC1 21577576 FCXGAIWBJDEERG-UHFFFAOYSA-N 434.949 3.509 0 40 IHAB CS(=O)(=O)N(CC(=O)NCCCc1ccc(F)cc1)c1cccc(Cl)c1Cl 22341628 MEJWNKTXOIZUFR-UHFFFAOYSA-N 433.332 3.648 0 40 IHAB O=C(CN1CCN(Cc2ccccc2F)CC1)Nc1cc(C2CC2)nn1-c1ccccc1 22917014 KMMWUOOUJUSLQW-UHFFFAOYSA-N 433.531 3.645 0 40 IHAB COc1ccc2nc(N(CCCN3CCOCC3)C(=O)Cc3ccccc3)sc2c1 22997642 SCHOKRBLMSBJCK-UHFFFAOYSA-N 425.554 3.603 0 40 IHAB Cc1cccc2sc(N(CCN3CCOCC3)C(=O)c3coc4ccccc4c3=O)nc12 22998208 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COc1cc2c(cc1OC)-c1c(c(C(=O)NCc3cccnc3)nn1-c1ccc(F)cc1)C2 31819617 XBMAKBJRLOFDCH-UHFFFAOYSA-N 444.466 3.925 0 40 IHAB COc1ccc(NC(C)=O)cc1S(=O)(=O)N(Cc1ccc2c(c1)OCO2)C1CCCC1 32514061 MZLYJAFMODHFSP-UHFFFAOYSA-N 446.525 3.516 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)/C=C/c2ccco2)c1 32960705 HCEGUQWUWCARJK-JLHYYAGUSA-N 431.558 3.952 0 40 IHAB COc1ccc(C(=O)Nc2ccccc2OCc2cc(=O)n3cc(C)ccc3n2)cc1OC 33068133 XLYBYKNAUPLDDA-UHFFFAOYSA-N 445.475 3.851 0 40 IHAB CCCn1c(=O)c2sccc2n2c(CCC(=O)N3CC=C(c4ccccc4)CC3)nnc12 35376355 ASLJHNXGSVSMQJ-UHFFFAOYSA-N 447.564 3.764 0 40 IHAB COc1cc(OC)cc(C(=O)N2CCC(C(=O)N3CC[C@H](C)[C@H]4CCCC[C@@H]43)CC2)c1 40133841 DVNQYQOPIQXDOK-IMRHEYAYSA-N 428.573 3.983 0 40 IHAB Cc1ccc(N2CCN(C(=O)c3cn(-c4ccc(NC(=O)CC(C)C)cn4)cn3)CC2)cc1 49407519 HPERPJZWPOYFRN-UHFFFAOYSA-N 446.555 3.523 0 40 IHAB COc1ccccc1N1CCN(C(=O)c2nnn(-c3ccc(C)c(Cl)c3)c2C)CC1 51317430 GNFMQLDBMKRTAD-UHFFFAOYSA-N 425.920 3.509 0 40 IHAB Cc1cc(F)ccc1-n1c(=O)c2sccc2n(CC(=O)Nc2ccccc2Cl)c1=O 57493271 RFIBUAWDGWKJIQ-UHFFFAOYSA-N 443.887 3.954 0 40 IHAB COC(=O)c1cccc(NC(=O)N[C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)c1 58010178 KJNOSPYMEFGHBB-SFHVURJKSA-N 449.429 3.977 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(OC(F)(F)F)cc3)C2)cc1 64671866 CTZCWAOLNXHYLV-HNNXBMFYSA-N 442.459 3.933 0 40 IHAB COc1cc(-c2noc(Cc3nnc(-c4cc(F)cc(F)c4)o3)n2)cc(OC)c1OC 65185571 FQGCAILDOVDXQP-UHFFFAOYSA-N 430.367 3.681 0 40 IHAB Cc1c(C(=O)Nc2cccc(F)c2)nnn1-c1cccc2c1CCN(Cc1cccnc1)C2 69982032 BTKFMVVMJMUVTM-UHFFFAOYSA-N 442.498 3.920 0 40 IHAB CC[C@@](C)(CCCNC(=O)[C@@H]1CCCN(C(=O)Nc2cccc(C)c2)C1)C1OCCO1 72306336 BHLGMVGAYDXUOD-DVECYGJZSA-N 431.577 3.925 0 40 IHAB COc1cc(NC2CCN(C(=O)c3ccc4c(c3)NC(=O)[C@H](C)S4)CC2)cc(OC)c1 79046375 HRGNQZOINSJAFR-AWEZNQCLSA-N 441.553 3.853 0 40 IHAB CC1CCN(CCc2cccc(NC(=O)c3cccc(S(=O)(=O)NC4CC4)c3)c2)CC1 95455584 XZPLNIWRZDHVAZ-UHFFFAOYSA-N 441.597 3.654 0 40 IHAB CC(C)N1C(=O)C[C@H](C(=O)NCCc2cn3ccccc3n2)[C@H]1c1ccc(Cl)c(F)c1 95988721 QYIBFUIZMLJZFA-HTAPYJJXSA-N 442.922 3.784 0 40 IHAB Cc1cc(C)n2nc(SCc3ccccc3C(=O)N3CCO[C@H](C(C)C)C3)nc2n1 95994534 CJFRYEWZWXKQLQ-IBGZPJMESA-N 425.558 3.530 0 40 IHAB C[C@H](OC(=O)CSCC(=O)Nc1ccc(Cl)cc1)C(=O)N1[C@@H](C)CCC[C@H]1C 102499929 YXRHBPUTSUELOS-ZNMIVQPWSA-N 426.966 3.733 0 40 IHAB C[C@@H](NC(=O)CSc1nnc(Cc2cccc3ccccc23)n1N)[C@@H]1C[C@@H]2CC[C@@H]1C2 103141402 ZMVFODQCPLMNCM-HQEOYTPBSA-N 435.597 3.769 0 40 IHAB COc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1ccccc1SC)S(C)(=O)=O 113940070 PQFNBYUSXIGRRT-LBPRGKRZSA-N 428.963 3.864 0 40 IHAB CC(=O)O[C@@H]1C[C@H]2[C@@H]3CC[C@H](C(C)=O)[C@@]3(C)C[C@@H](OC(C)=O)[C@@H]2[C@@]2(C)CCC(=O)C[C@H]12 118927895 FNUFMOJRTSZHES-CAPUHUCPSA-N 432.557 3.887 0 40 IHAB CC1(C)C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 219755910 AWQPQNQOXYYIAF-OALUTQOASA-N 448.972 3.912 0 40 IHAB COc1ccc(CN(C)C(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 222675720 LSDROXDGMNHKRM-UHFFFAOYSA-N 440.521 3.533 0 40 IHAB CCCc1ccc(OCCNC(=O)CCCN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 224151344 UPRGVUDITWNUFR-UHFFFAOYSA-N 446.613 3.997 0 40 IHAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc2c(c1)OCO2 225415088 IDMMBQRGJHIDIZ-ROUUACIJSA-N 440.540 3.689 0 40 IHAB O=C(Nc1nnc(S(=O)(=O)N[C@H]2CCCc3ccccc32)s1)c1ccc(Cl)cc1 225832348 JEAQBIWVQMQMMQ-INIZCTEOSA-N 448.957 3.800 0 40 IHAB C[C@H]1Cc2cc(C(=O)N3CCOc4ccccc43)ccc2N1S(=O)(=O)c1ccccc1 225849949 SFHQMPALUHIEME-KRWDZBQOSA-N 434.517 3.866 0 40 IHAB CC1CCN(c2cc(N3CCCCC3)nc(NC(=S)NCc3cccnc3)n2)CC1 225939661 DIGLIHIZCMWMMV-UHFFFAOYSA-N 425.606 3.585 0 40 IHAB Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@@H](Oc2ncccc2Br)C1 238870676 MUZVOCMHYKPLLY-GFCCVEGCSA-N 431.739 3.648 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(c3cccc(Nc4cnccn4)n3)CC2)cc1C 257231391 GGMYEZXXDRQQLO-UHFFFAOYSA-N 439.541 3.501 0 40 IHAB CCc1nnc(Nc2cc(C)nc([C@@H]3CN(C(=O)COc4ccccc4)CCO3)c2)s1 257242487 ICTLRJVZKRCDIE-IBGZPJMESA-N 439.541 3.526 0 40 IHAB CC(=O)N1CCC(Cc2ccccc2)(C(=O)N2CCC[C@H]2c2ccnc(N(C)C)c2)CC1 257247744 JAHDMCUUAKQVHX-QHCPKHFHSA-N 434.584 3.683 0 40 IHAB Cc1nc(C)c(CC(=O)N2CCC(c3cccc(Nc4ncccc4C)n3)CC2)c(O)n1 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BEGACMXKHPNZQU-VHSSKADRSA-N 431.558 3.666 0 40 IHAB O=C(O)[C@H]1CC=CC[C@H]1C(=O)N1CCN(c2nc(-c3ccccc3)c3ccccc3n2)CC1 1244919 LIGOIMAYYOHCSW-UXHICEINSA-N 442.519 3.612 0 40 IHAB COc1ccc(/C=C2\N=C(c3cc(OC)c(OC)c(OC)c3)OC2=O)cc1Br 1735640 QCOGUXPPJVSGPB-ZSOIEALJSA-N 448.269 3.828 0 40 IHAB Cc1nnc2sc(-c3ccccc3NC(=S)NC(=O)c3cccc(Cl)c3)nn12 2438003 HTAOZVHGXHPSIS-UHFFFAOYSA-N 428.930 3.941 0 40 IHAB CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)cc1 2627514 LOOKVCCFBJRTGG-JOCHJYFZSA-N 433.430 3.807 0 40 IHAB CCCCc1ccc(-n2nnnc2SCC(=O)Nc2ccc3c(c2)OCCO3)cc1 3323601 MPIOQDNSGFMGAM-UHFFFAOYSA-N 425.514 3.507 0 40 IHAB CCCCCn1c(=O)[nH]c2cc(C(=O)N3CCN(c4cccc(C)c4)[C@H](C)C3)ccc2c1=O 4766393 YNFBTBFMSUYAFM-LJQANCHMSA-N 448.567 3.539 0 40 IHAB O=c1ccc(-c2cccs2)nn1CCNS(=O)(=O)c1ccc(-c2ccccc2)cc1 8954920 ZPVDXLLUHAPMHV-UHFFFAOYSA-N 437.546 3.617 0 40 IHAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(S(=O)(=O)c1c(C)noc1C)CC2 9126290 VSHPYLOJZLLYHP-LJQANCHMSA-N 434.539 3.707 0 40 IHAB COc1ccc2nc(SCC(=O)Nc3cc(C(F)(F)F)ccc3-n3cncn3)[nH]c2c1 9466985 CPBCCLPUMPMFHO-UHFFFAOYSA-N 448.430 3.902 0 40 IHAB O=C(c1cccs1)N1CCN(C(=O)c2ccccc2OCCOc2ccccc2)CC1 9534345 RSGJJHCGDBLATB-UHFFFAOYSA-N 436.533 3.804 0 40 IHAB CCN(Cc1ccccc1)C(=O)Cn1c(=O)n(-c2ccc(C)cc2)c(=O)c2sccc21 9598624 QGMHFBXULBNIFS-UHFFFAOYSA-N 433.533 3.571 0 40 IHAB CCOC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 9713551 OGVQGTFYENELQK-UHFFFAOYSA-N 428.514 3.700 0 40 IHAB CNC(=O)c1ccsc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 9714849 XWYTWIBERSQJTC-UHFFFAOYSA-N 449.941 3.814 0 40 IHAB Cn1ncc(Cl)c1[C@@H]1CCCCCN1S(=O)(=O)c1ccc(N2CCCC2=O)cc1 12159788 LEMKBJLNBQHWGN-SFHVURJKSA-N 436.965 3.506 0 40 IHAB Cc1cccc(C)c1O[C@@H](C)C(=O)N[C@@H](C)CNC(=O)[C@@H](C)Oc1c(C)cccc1C 12404075 GZYXHVUWYJISGZ-HBMCJLEFSA-N 426.557 3.776 0 40 IHAB CC(=O)N1C(=O)[C@]2(S[C@@H](C)C(=O)N2c2ccc(Br)cc2)c2ccccc21 12416876 DWWFVFVURDLLJO-JEOXALJRSA-N 431.311 3.664 0 40 IHAB COc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 12493219 LHVMDYYEMJACIF-UHFFFAOYSA-N 440.521 3.533 0 40 IHAB O=C(COc1ccc(Nc2ccccc2)cc1)NCc1ccccc1CN1CCOCC1 12555833 FKGDQYWCGRXKLY-UHFFFAOYSA-N 431.536 3.958 0 40 IHAB CCC1=C(C(=O)OC)[C@@H](c2ccc(F)cc2)NC(=S)N1c1ccc2c(c1)OCCO2 12561428 SKJPUYWBDDYIRR-HXUWFJFHSA-N 428.485 3.870 0 40 IHAB Cc1cccc2c(=O)[nH]c(CN(Cc3nc4c(C)cccc4c(=O)[nH]3)[C@@H](C)C3CC3)nc12 12736667 LRLJDSSDJWVFBU-INIZCTEOSA-N 429.524 3.577 0 40 IHAB CN(CC(=O)Nc1ccccc1Cl)C(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 12796620 LRCUSHDJHTUJGN-UHFFFAOYSA-N 429.948 3.855 0 40 IHAB Cc1cc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@]4(CCCCc5ccccc54)C3=O)c2C)no1 12854308 GHOPOUQYQARHOT-RUZDIDTESA-N 446.507 3.747 0 40 IHAB CCC(C)(C)NC(=O)[C@H](c1ccc(F)cc1)N(C(=O)Cn1nnc2ccccc21)C1CC1 13024674 SFWHXABHNMAEAR-QFIPXVFZSA-N 437.519 3.608 0 40 IHAB Cc1cc(C(=O)COC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)c(C)n1Cc1ccccc1 13038072 YDQOTRMSNIETJR-HXUWFJFHSA-N 434.492 3.521 0 40 IHAB CCOc1ccc(NC(=O)CCc2nc3ccccc3o2)cc1S(=O)(=O)N1CCCC1 13057694 BWAVNDQHCUINTH-UHFFFAOYSA-N 443.525 3.582 0 40 IHAB COC(=O)c1c(NC(=O)CSc2nnc3[nH]c4ccccc4n23)sc2c1CCCC2 13149840 UMYWVIBNPBWQIZ-UHFFFAOYSA-N 441.538 3.668 0 40 IHAB CN(Cc1nc2ccccc2s1)C(=O)c1ccccc1S[C@H]1CCS(=O)(=O)C1 14020506 KSHBFIUKKPMABL-AWEZNQCLSA-N 432.592 3.848 0 40 IHAB C[C@H]1C[C@H](C)CN(C(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)C1 14183953 GJFKEZLMYJMSEC-KBPBESRZSA-N 433.401 3.899 0 40 IHAB COc1ccc(C)cc1N(CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1C2)S(=O)(=O)c1ccccc1 14186239 WIBSZVQHOOVFMP-NLWGTHIKSA-N 428.554 3.504 0 40 IHAB CCc1nnc(SCc2ccccc2)n1NC(=S)NC(=O)c1cccc(C)c1OC 14269728 RTHMPYMQKVNSRT-UHFFFAOYSA-N 441.582 3.708 0 40 IHAB Cc1ccc(SCCNC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 14803776 JJVHEFSUUXRYAU-UHFFFAOYSA-N 432.611 3.613 0 40 IHAB COc1ccc(CNC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 15390997 YOGYPJJBTSDZPB-SFHVURJKSA-N 436.961 3.598 0 40 IHAB O=C(CSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)Nc1cccc([N+](=O)[O-])c1 15554486 CVDWWYQXHZGHJY-UHFFFAOYSA-N 430.511 3.644 0 40 IHAB CCC(=O)Nc1ccc(C(=O)OCc2cc(=O)n3nc(C4CCCCC4)sc3n2)cc1 15772081 OXWFLUMBOOABHP-UHFFFAOYSA-N 440.525 3.904 0 40 IHAB CCOC(=O)c1c(NC(=O)CCS(=O)(=O)c2ccc(C)cc2)sc2c1CCCC2 16047932 BOQLPFLWMMDRAR-UHFFFAOYSA-N 435.567 3.915 0 40 IHAB CC(C)C[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)Nc1cccc(C(F)(F)F)c1)C(=O)O 16575048 KFSFYAHTWGOIFD-CVEARBPZSA-N 431.455 3.857 0 40 IHAB CC(C)NC(=O)NC(=O)[C@H](C)OC(=O)c1c(-c2ccccc2)csc1NC(=O)C1CC1 16921052 FSBDTLVMXHGUMX-ZDUSSCGKSA-N 443.525 3.543 0 40 IHAB Cc1ccc(C(=O)N2CCc3nc([C@@H]4CCCN4C4CCCCC4)[nH]c(=O)c3C2)s1 19217027 LBGHUHADMHABPQ-IBGZPJMESA-N 426.586 3.808 0 40 IHAB C[C@@H]1C[C@@H]1C(=O)N1CCC(c2cc3nc4c(c(O)n3n2)CN(C[C@H]2CC=CCC2)CC4)CC1 19462898 HKGCNPDTZSDSCW-HBFSDRIKSA-N 449.599 3.511 0 40 IHAB CCc1c(C)nc2cc(-c3cc(C)on3)nn2c1N1CCC[C@](O)(c2cccnc2)CC1 19521632 IVCBAFBRPVHHEH-XMMPIXPASA-N 432.528 3.837 0 40 IHAB CNC(=O)c1sc2ncccc2c1[C@@H]1CCN(C(=O)c2ccnc(N3CCCCC3)c2)C1 19702278 UUBMZNDCSMVJNF-QGZVFWFLSA-N 449.580 3.671 0 40 IHAB COCc1ccccc1CNC(=O)c1ccc([C@H]2CCCN(Cc3ccccn3)C2)nc1 19706085 HOHXOUKJUAFKEB-QFIPXVFZSA-N 430.552 3.933 0 40 IHAB CC(=O)N[C@H]1C[C@@H](c2ccccc2NC(=O)c2cnn3cc(C)cnc23)O[C@@H](C(C)C)C1 19712205 CTLWBNNEDPZXEV-YHYVQYDKSA-N 435.528 3.671 0 40 IHAB Cc1nc([C@@H]2CCCN2C(=O)c2cc(C3CC3)n[nH]2)nc2c1CCC(=O)N2CCC(C)C 19741825 YBDHWYVYHZQORB-FQEVSTJZSA-N 436.560 3.688 0 40 IHAB CCCCSc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1cc(OC)c(OC)c(OC)c1)C3 19816876 OPRBILFWZLCTKY-ZDUSSCGKSA-N 442.541 3.955 0 40 IHAB CCOC(=O)[C@@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@@H]1c1cccnc1 19820513 WTGZKMNSGRRSFJ-XZOQPEGZSA-N 440.503 3.789 0 40 IHAB CC[C@H](Oc1ccccc1C)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OC 20035486 NMAITHWPMWAIOJ-IBGZPJMESA-N 432.542 3.584 0 40 IHAB CN(Cc1ccccc1N1CCCCC1)C(=O)NCc1ccccc1CN1CCOCC1 22878310 VZXONZGDQHLUDP-UHFFFAOYSA-N 436.600 3.851 0 40 IHAB COc1cccc(CSc2nc(CC(=O)Nc3ccc(OC)c(Cl)c3)cc(=O)[nH]2)c1 23138202 USFLNNVIVVBANV-UHFFFAOYSA-N 445.928 3.914 0 40 IHAB COc1ccc(CN2CCN(C(=O)c3c(C)nn(Cc4ccccc4)c3C)CC2)cc1F 23881626 VZEWIUFUOLSEKH-UHFFFAOYSA-N 436.531 3.654 0 40 IHAB CC(C)c1ccc(-n2cnnc2SCC(=O)N2CCC[C@H]2c2nnc3ccccn23)cc1 26555992 YYSQTUTYSAJAGE-IBGZPJMESA-N 447.568 3.889 0 40 IHAB COc1ccccc1[C@H](C(=O)NC(C)(C)C)N(C(=O)c1csnn1)c1ccc(F)cc1 35310887 CFHFPRQSYAWFRO-LJQANCHMSA-N 442.516 3.989 0 40 IHAB COc1cc([C@@H]2CC(O)=Nc3c2c(C)nn3-c2ccc(Cl)nn2)cc2c1OCCO2 36360471 LJDNGBGKWIUIAC-LBPRGKRZSA-N 427.848 3.528 0 40 IHAB O=C(NC1CC1)c1ccccc1NS(=O)(=O)c1ccc2nc(Cl)c(Cl)nc2c1 40135046 NKXIMNMKOJPNDS-UHFFFAOYSA-N 437.308 3.630 0 40 IHAB O=c1c2c(-c3ccccc3Cl)n3ncnc3nc2ccn1Cc1cccc2c1OCO2 40398091 XEZJSMYNGKGYSO-UHFFFAOYSA-N 431.839 3.537 0 40 IHAB CCOc1ccccc1C(=O)Nc1ccccc1OCc1cc(=O)n2c(ncn2C(C)C)n1 41077158 RYUXGKZREAIUBT-UHFFFAOYSA-N 447.495 3.702 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)N[C@@H](C)c1ccc(F)cc1 44846866 GDRKYAGSTAEOOO-INIZCTEOSA-N 434.533 3.746 0 40 IHAB COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(NC(C)=O)cc2)C12CCCC2 44890527 JGZOHVJIVOVJJT-JOCHJYFZSA-N 435.524 3.782 0 40 IHAB COc1ccc(CCN2C[C@@H](C(=O)N[C@@H](C)c3cccc(Cl)c3)CC2=O)cc1OC 45702741 QJZVZHBAIRAQSB-YJBOKZPZSA-N 430.932 3.626 0 40 IHAB Cc1ccc(N2C[C@@H](C(=O)N3CCC(c4nnc(-c5ccco5)s4)CC3)CC2=O)cc1 49363046 XMSKBVZJPYRORE-KRWDZBQOSA-N 436.537 3.866 0 40 IHAB C[C@@H](c1nc(-c2cccs2)no1)S(=O)(=O)Cc1ccc(C(=O)N2CCCC2)cc1 58016237 OZLPCAUPILKOBY-AWEZNQCLSA-N 431.539 3.710 0 40 IHAB O=C(Nc1ccc(F)c(C(F)(F)F)c1)C1CCN(c2ccc(-n3cccn3)nn2)CC1 62022686 ZRQMLUPIIJGURQ-UHFFFAOYSA-N 434.397 3.675 0 40 IHAB Cc1cc(C)c(NC(=O)Cn2c(-c3ccc(Cl)cc3)nc(C)c(CCO)c2=O)c(C)c1 67300548 YGDHJARSKFNMKV-UHFFFAOYSA-N 439.943 3.971 0 40 IHAB O=C1C[C@@H](c2ccccc2)N(C(=O)c2cc3c(F)cc(Br)cc3[nH]2)CCN1 69372448 OLMQMOIYTQOTPY-SFHVURJKSA-N 430.277 3.773 0 40 IHAB O=C(O)c1ccc(CC=C(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)cc1 72242474 GTLJFPHBADONMX-UHFFFAOYSA-N 442.514 3.717 0 40 IHAB CCc1nnc(Nc2cccc([C@@H]3CCCN3C(=O)c3c(C)cc(C)n(C)c3=O)n2)s1 72375535 IXSYWKNJBNTBJP-INIZCTEOSA-N 438.557 3.532 0 40 IHAB COc1ccc(OC)c(-c2cc(C(=O)N(Cc3ccccn3)Cc3ccco3)n(C)n2)c1 77200807 XMRYNJQCGHKJFC-UHFFFAOYSA-N 432.480 3.935 0 40 IHAB CC(C)(C)C(=O)N1CCC[C@H](C(=O)N2C[C@@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)C1 89621252 UKKOGDRAYJJVDK-RYQLBKOJSA-N 426.479 3.624 0 40 IHAB Cc1ccn2c(CN3CCN(C(=O)c4cc(C)nc5c4cnn5C(C)C)CC3)c(C)nc2c1 95946842 NCLSJQXEYCLMND-UHFFFAOYSA-N 445.571 3.543 0 40 IHAB CCOC(=O)Cc1sc(NCc2ccccc2)nc1CN1C(=O)c2ccccc2C1=O 98086629 LLLMFAHPFRPFCN-UHFFFAOYSA-N 435.505 3.657 0 40 IHAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)Nc3cccc(Cl)c3C)C2=O)cc1Cl 100036783 RMWSXCFYCONVBX-MSOLQXFVSA-N 446.294 3.542 0 40 IHAB CC(C)C(=O)N1CCc2c(nc3cc(C4CCN(C[C@@H]5CC=CCC5)CC4)nn3c2O)C1 100232742 MTOOEBKKYSETPS-GOSISDBHSA-N 437.588 3.511 0 40 IHAB COCCn1/c(=N/C(=O)c2ccc(Br)s2)sc2cc(OC)ccc21 100873146 MXEVAFCFRBOTCY-VLGSPTGOSA-N 427.345 3.923 0 40 IHAB Cc1ccc(C(=O)COC(=O)c2ccccc2N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1 101228370 VFVQIDHBAPXDDK-XWRUHHDXSA-N 441.483 3.592 0 40 IHAB COc1ccccc1[C@@H]1[C@H]2C(=O)N(c3c(Cl)cccc3Cl)C(=O)[C@@H]2N2CCCN12 102707460 ZAUDIALSROPSAO-ZHALLVOQSA-N 432.307 3.538 0 40 IHAB CCCNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3c(C)cc(C)cc3C)cc2)C1 142222735 COHNBLKLSUDRSL-LJQANCHMSA-N 437.540 3.508 0 40 IHAB CN(Cc1ccccc1F)C(=O)COc1ccc(S(=O)(=O)Nc2ccccc2)cc1 222675827 FUGFMRZSHOUGQQ-UHFFFAOYSA-N 428.485 3.664 0 40 IHAB CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc(OC)c(OC)c1 222927024 JQBFRSSHHIRRBG-INIZCTEOSA-N 432.948 3.843 0 40 IHAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCc1nc(-c2ccc(OC)cc2OC)no1 223002395 ZZFOLKOMDFLAHN-IBGZPJMESA-N 425.485 3.844 0 40 IHAB CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccccc1F 223080244 DJJWUJDFCZCXSF-CQSZACIVSA-N 437.309 3.520 0 40 IHAB CCOc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)cc1 223280022 RLPIIBPRDLKKFZ-PKTZIBPZSA-N 435.597 3.805 0 40 IHAB CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)COc1cc(C)c(Cl)c(C)c1 223405022 OGXTXNSDJVYCNZ-FQEVSTJZSA-N 432.948 3.898 0 40 IHAB CCCSc1nnc(NC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)s1 225663870 DFVBBJBKNJDAJS-UHFFFAOYSA-N 449.023 3.879 0 40 IHAB COCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(N5CCCC5=O)cc4)OCC[C@@]31C2 257208946 BOEQIJFLIUTQKU-MFLQQMQESA-N 440.584 3.849 0 40 IHAB Cc1onc(C(C)C)c1C(=O)N1CCO[C@@H](c2ccc(Nc3ccc(F)cn3)cn2)C1 257270786 MVQJDPPSDQLYEL-GOSISDBHSA-N 425.464 3.993 0 40 IHAB Cc1nc([C@@H]2CCCN(C(=O)CCC3CCCC3)C2)nc(C)c1CC(=O)N1CCCC1 257284401 PCNUNKIPCGHUOV-OAQYLSRUSA-N 426.605 3.935 0 40 IHAB Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)c2)c(C)c1 408651330 ATVTUQAETMLYJB-BGYRXZFFSA-N 434.492 3.779 0 40 IHAB CCOc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(Br)cc2)cc1 408662421 ICQGFYHBBVLLOE-UHFFFAOYSA-N 449.301 3.748 0 40 IHAB O=C(CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)NC1CC1 409014385 PIMDRBTUBQFRPB-UHFFFAOYSA-N 427.353 3.505 0 40 IHAB O=C(Cc1cc2ccccc2nc1O)N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 562910812 BOQRAWYGTJRSTC-IBGZPJMESA-N 432.398 3.982 0 40 IHAB O=S(=O)(NC[C@@H](O)c1ccc(-c2ccco2)cc1)c1ccccc1OC(F)(F)F 618255776 IWAPVJHLCAKMSB-OAHLLOKOSA-N 427.400 3.857 0 40 IHAB CCn1cc(C(=O)N2CCCCNC(=O)c3cc(Cl)ccc3OCCCC2)c(C)n1 643556717 PFESDFYWHGOTIO-UHFFFAOYSA-N 432.952 3.690 0 40 IHAB CCc1noc(C)c1C(=O)N1CCC[C@]2(CCCCc3ccccc3OCCNC2=O)C1 643559815 BZQRQYOHSBMJDV-RUZDIDTESA-N 439.556 3.689 0 40 IHAB CCOC(=O)c1cnn2ccc(NC(=O)[C@@H](OC)c3ccccc3Br)cc12 1289262436 UOCYSLVWAGLJIS-KRWDZBQOSA-N 432.274 3.600 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1ccc(Br)cc1 958038 MADAVWWQPMPYLY-UHFFFAOYSA-N 432.299 3.897 0 40 IHAB COc1cccc(-n2c(SCC(N)=O)nc3c(c2=O)C2(CCCC2)Cc2ccccc2-3)c1 1305130 HCSGOLPZDGMZGL-UHFFFAOYSA-N 447.560 3.853 0 40 IHAB COc1ccc(-n2c(N)c(C(=O)OC[C@H]3CCCO3)c3nc4ccccc4nc32)cc1OC 2418475 KGOLAQRDFCVESM-OAHLLOKOSA-N 448.479 3.509 0 40 IHAB CN1C(=O)[C@](O)(CC(=O)c2cccc(-n3cccc3)c2)c2cc(Br)ccc21 4123023 LISSBIZWFBMFSJ-NRFANRHFSA-N 425.282 3.677 0 40 IHAB CCCS(=O)(=O)N1C[C@@H]2C[C@H](C1)c1c(/C=C/c3ccc(Cl)cc3)ccc(=O)n1C2 5441202 QKXZZRDIZBOUST-LPRVLWEOSA-N 432.973 3.831 0 40 IHAB biogenic,in-vitro COc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)N3CCC(C)CC3)c(=O)[nH]c2c1 6148949 PNFRBMCVGTWHIL-QFIPXVFZSA-N 436.560 3.850 0 40 IHAB Cc1ccc(C(=O)[C@@H](C)OC(=O)[C@H]2CC(=O)N(c3ccc(C(=O)OC(C)C)cc3)C2)cc1 8383757 HJVJNMRZYCZMLA-XLIONFOSSA-N 437.492 3.728 0 40 IHAB CN1C(=O)[C@H](C(c2cccs2)[C@@H]2C(=O)c3ccccc3N(C)C2=O)C(=O)c2ccccc21 8848675 LQPOTKSFVBZUEB-NHCUHLMSSA-N 444.512 3.783 0 40 IHAB CCN1C(=O)C(C)(C)COc2cc(NS(=O)(=O)c3cc(C)c(OC)c(C)c3)ccc21 9166434 XVXJWVSUYSRVAN-UHFFFAOYSA-N 432.542 3.884 0 40 IHAB C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)C1=O 9224058 WUNRTESIQGHMLS-VWLOTQADSA-N 439.475 3.636 0 40 IHAB CC(C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NC1CCCCC1 9447278 YJZSCVRWCYDMSS-YCRNBWNJSA-N 443.613 3.625 0 40 IHAB Cc1ccc(CNC(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@H]2CCCO2)cc1 9535150 DYSRWLRMVPOXKY-HXUWFJFHSA-N 440.544 3.980 0 40 IHAB O=C(CSc1nc2ccccc2n1C1CCCCC1)N1CCN(c2ncccn2)CC1 10398397 BREXEAJOQKCFEZ-UHFFFAOYSA-N 436.585 3.772 0 40 IHAB Cc1cc(S(=O)(=O)Nc2cccc(-c3nnnn3C3CC3)c2)ccc1Br 10657323 ZTLXTOZOVJTCQY-UHFFFAOYSA-N 434.319 3.547 0 40 IHAB CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)Nc1nc2cc3c(cc2s1)OCCO3 11751805 AWAPLIKOHOYRMU-GOSISDBHSA-N 429.473 3.600 0 40 IHAB Cc1cc(NC(=O)CSc2cc(Cl)ccc2Cl)n([C@H]2CCS(=O)(=O)C2)n1 11871942 XYUOEVWDCKSEML-LBPRGKRZSA-N 434.370 3.589 0 40 IHAB CN(Cc1nc2ccccc2s1)C(=O)CSc1nnc(N2CCCCC2)n1C1CC1 12750730 LAYMBQLOKPZXOI-UHFFFAOYSA-N 442.614 3.964 0 40 IHAB CCOC(=O)c1c(C)nc(-c2ccco2)nc1SCC(=O)N1CCc2sccc2C1 12780521 CFKUMMBCGKRNOP-UHFFFAOYSA-N 443.550 3.960 0 40 IHAB CC[C@@H]1c2ccsc2CCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 12941422 RSBQQRJVAAZPIB-HXUWFJFHSA-N 432.611 3.993 0 40 IHAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)c1 12978823 GVTHSJCYDXFXEI-JOCHJYFZSA-N 441.553 3.620 0 40 IHAB COc1ccc(CCNC(=O)COC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1OC 13129071 MHZVOXWNYHYSMJ-UHFFFAOYSA-N 436.508 3.580 0 40 IHAB COC(=O)C1CCN(C(=O)CSc2nnc(-c3ccc(F)cc3)c3ccccc23)CC1 13137774 AEWVLRBLPWNGGJ-UHFFFAOYSA-N 439.512 3.940 0 40 IHAB C[C@@H](C(=O)Nc1cccc(Br)c1)N(C)Cc1ccccc1N1CCOCC1 15039126 FYWOKMLNFQAQFU-INIZCTEOSA-N 432.362 3.745 0 40 IHAB C[C@@H]1CCCN([C@@H]2CC(=O)N(c3ccc(Br)cc3Br)C2=O)C1 15188608 AEMXPQFJWHRWNV-QMTHXVAHSA-N 430.140 3.575 0 40 IHAB Cc1ccc2cc(CN(C[C@H]3CCCO3)S(=O)(=O)c3ccc(Cl)cc3)c(=O)[nH]c2c1 16956747 CDLBIIGGLBOEMW-LJQANCHMSA-N 446.956 3.860 0 40 IHAB Cc1ccc2c(C)c(CCC(=O)O[C@@H](C)C(=O)N3CCc4ccccc4C3)c(=O)oc2c1 17263803 LREPSIHOZGXEKS-SFHVURJKSA-N 433.504 3.859 0 40 IHAB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1ccc(F)cc1 18244632 KMLFMRFINBLGFQ-CALCHBBNSA-N 440.858 3.670 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(c3n[nH]cc3C(=O)N(C)c3ccccc3)CC2)cc1 19211342 KFPQYKPCUWLCCO-UHFFFAOYSA-N 438.553 3.563 0 40 IHAB CCn1ccc(C(=O)N2CC[C@@](Cc3cccc(-c4ccccc4)c3)(C(=O)N(C)C)C2)n1 19525132 ZGMMHKQNLQIXBI-SANMLTNESA-N 430.552 3.733 0 40 IHAB CCCc1cc(C(=O)N(C)C2CCC3(CC2)CN(C(C)=O)Cc2ccccc2O3)no1 19525264 PQEXBTLSBXUUSG-UHFFFAOYSA-N 425.529 3.822 0 40 IHAB COc1ccc(CC(=O)N2CC[C@](Cc3ccc(-c4cccs4)cc3)(C(N)=O)C2)cc1 19554020 JRAQCPSINOKFQZ-RUZDIDTESA-N 434.561 3.913 0 40 IHAB CNc1cc(C(=O)N2CC[C@](Cc3cccc(-c4ccccc4)c3)(C(=O)N(C)C)C2)ccn1 19592068 KTQDGZTXAAQWJW-HHHXNRCGSA-N 442.563 3.954 0 40 IHAB Cc1nc([C@@H]2CCCN(C(=O)c3ccccn3)C2)nc2c1CCCN2CCc1ccccn1 19706734 FDWWOOCUDPIWAO-HXUWFJFHSA-N 442.567 3.590 0 40 IHAB Cc1nc([C@H]2CCCN2Cc2cnn(C)c2C)nc2c1CCC(=O)N2Cc1ccc(F)cc1 19740618 JYXFCBUDOMAFSC-JOCHJYFZSA-N 448.546 3.783 0 40 IHAB COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)C[C@@H]1C(=O)Nc1cc(Cl)ccc1OC 19819181 RTVDJYKRTLHZSV-INIZCTEOSA-N 446.862 3.926 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)c(F)c3)CC2)cc1C 20017274 ILUBFXVQKPZZNA-UHFFFAOYSA-N 438.496 3.711 0 40 IHAB Cc1ccc([C@@H](NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)c2ccccc2)cc1 20105021 NLJKUKSKOKCCKQ-QHCPKHFHSA-N 426.513 3.806 0 40 IHAB CCOc1ccccc1NC(=O)Cn1c(=O)cc(C(=O)N2CCCCC2)c2ccccc21 20190232 KMPBGPBZAVFOGM-UHFFFAOYSA-N 433.508 3.665 0 40 IHAB O=C(c1cccc2c1C(=O)N(c1ccccc1)C2)N1CCC[C@@H](c2nnc3ccccn23)C1 20738526 WBPDRXYQEPRUMK-LJQANCHMSA-N 437.503 3.910 0 40 IHAB Cc1c(C(=O)N2CCN(CCc3ccncc3)CC2)oc2cc(Br)ccc12 20896990 PODKEYYNPVLWJL-UHFFFAOYSA-N 428.330 3.899 0 40 IHAB CC(C)(C)c1cc(NC(=O)c2cccc(Br)c2)n([C@@H]2CCS(=O)(=O)C2)n1 22503512 KETBVTFJFQLAHZ-CQSZACIVSA-N 440.363 3.555 0 40 IHAB COCc1nc2ccccc2c(C)c1C(=O)OCc1nc(N)nc(Nc2ccccc2)n1 22872677 MRISYSLEMWJGJD-UHFFFAOYSA-N 430.468 3.557 0 40 IHAB Cc1ccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1I 22906445 PYVCEBSBXRHRCV-UHFFFAOYSA-N 434.277 3.974 0 40 IHAB COc1ccc([C@H](CNC(=O)CCc2c(C)nc3cc(C)nn3c2C)N2CCCC2)cc1 23487398 KSFVRWGSJMRGCC-QHCPKHFHSA-N 435.572 3.549 0 40 IHAB CSc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1C(=O)N1CCOCC1 26117309 QJIYRLNFDSMIIR-UHFFFAOYSA-N 440.974 3.644 0 40 IHAB COc1ccc(Cl)cc1NC(=O)CCN1CCN(c2ccc(C(F)(F)F)cn2)CC1 28877352 HCYRDZYVMRVOAC-UHFFFAOYSA-N 442.869 3.913 0 40 IHAB O=C1N[C@@H]2CS[C@H](CCCCC(=O)N3CCc4sccc4[C@@H]3c3ccccc3)[C@@H]2N1 32843427 LRWSIOSGPLBNQB-IYERYRBDSA-N 441.622 3.948 0 40 IHAB CC(C)c1c(NS(=O)(=O)c2ccc3c(c2)CCCC3)c(=O)n(-c2ccccc2)n1C 32909192 PVYZCMMLDZARGL-UHFFFAOYSA-N 425.554 3.979 0 40 IHAB CC(C)CCn1c(=O)c2ccccc2n2c(SCC[S@@](=O)c3ccccc3)nnc12 32931580 DECJEIKNINURNX-PMERELPUSA-N 440.594 3.990 0 40 IHAB CS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1cccc(/C=C/c2ccccn2)c1 32976403 DSLOEDAGVSRXCF-OTOIZHKDSA-N 433.533 3.577 0 40 IHAB Cc1ccc(-n2c(=O)c3ccccc3n(Cc3nc(-c4cccs4)no3)c2=O)cc1C 44166639 JQUXRJPAZLYQAW-UHFFFAOYSA-N 430.489 3.929 0 40 IHAB Cc1cccc(CCCNC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)c1 44909795 ZTPSFCSOOFCMCG-QFIPXVFZSA-N 444.597 3.569 0 40 IHAB CCOC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2c2nc3ccccc3n2C)cc1 48313524 DCDDIYRYALKSPF-HXUWFJFHSA-N 427.526 3.666 0 40 IHAB O=C(Cn1cc(Br)ccc1=O)Nc1nc(-c2c[nH]c3ccccc23)cs1 48373849 GHUSMDKUEVNVEL-UHFFFAOYSA-N 429.299 3.854 0 40 IHAB Cc1cc2nn(CC(=O)Nc3cccc(C)c3C)c(=O)n2c(Nc2ccc(F)c(C)c2)n1 49410721 MTKIGBYRBCEJFW-UHFFFAOYSA-N 434.475 3.646 0 40 IHAB Cc1ccc(N2CN(CC(=O)Nc3ccc(F)cc3C)S(=O)(=O)c3cccnc32)cc1 49411490 XZOIYNVIJXSLJS-UHFFFAOYSA-N 440.500 3.576 0 40 IHAB CC[C@H](C)NC(=O)C1CCN(c2nc3c(-c4ccccc4F)csc3c(=O)[nH]2)CC1 49421050 FEPYSBSYGRMNNP-ZDUSSCGKSA-N 428.533 3.922 0 40 IHAB O=C(Nc1nccs1)[C@H]1CCCN(S(=O)(=O)c2ccccc2-c2ccccc2)C1 58370041 UIBJNXYMLILMKW-KRWDZBQOSA-N 427.551 3.850 0 40 IHAB Cc1nc(Cn2ncc3ccccc3c2=O)cc(NC[C@@H](c2ccccc2Cl)N(C)C)n1 72373352 TZOGMQHAQOHIMJ-QFIPXVFZSA-N 448.958 3.911 0 40 IHAB CNS(=O)(=O)c1ccc(Sc2ccccc2C(=O)NCc2ccc(C)cc2)cc1 78932138 WZOYGYUIFUXLRJ-UHFFFAOYSA-N 426.563 3.984 0 40 IHAB CSCC[C@@H](NCC(=O)N(C)Cc1c(F)cccc1Cl)c1nnc2ccccn12 95941209 JRFNSYHDYHZPEB-QGZVFWFLSA-N 435.956 3.564 0 40 IHAB COc1ccc(NC(=O)c2ccccc2N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)c(OC)c1 100843467 DBNVSRVFBCRPDT-DORSUYAXSA-N 444.487 3.514 0 40 IHAB Cn1c(Cc2ccc3c(c2)OCCCO3)nnc1SCC(=O)Nc1ccccc1Cl 101160573 FIHZWQMQJVJJAH-UHFFFAOYSA-N 444.944 3.951 0 40 IHAB Cn1c(Cc2ccc3c(c2)OCCCO3)nnc1SCC(=O)Nc1cccc(Cl)c1 101160945 KCSFCAVJLPMPJD-UHFFFAOYSA-N 444.944 3.951 0 40 IHAB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]2[C@H]2CCCN21 101342537 LKCKDRMAWUHSIF-DVAKJLRASA-N 437.499 3.579 0 40 IHAB CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H]3CC(C)(C)Oc4cc(OC)ccc43)ccc21 223027766 VLWUQKGQVLLKMA-IBGZPJMESA-N 444.553 3.575 0 40 IHAB Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)NCc1nc(-c2ccccc2)no1 224457660 OLCYBKYXUZFMJV-ZHZULCJRSA-N 428.448 3.725 0 40 IHAB COc1cccc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3F)cc2)c1 224572305 BDMJMEMTZDKOJW-UHFFFAOYSA-N 430.457 3.653 0 40 IHAB COc1cc(NC(=S)N2CCN(C3Cc4ccccc4C3)CC2)c(OC)cc1Cl 225210763 AIPHUBCIFSUNQJ-UHFFFAOYSA-N 431.989 3.839 0 40 IHAB COc1ccc(CCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC(C)C)cc1OC 225492381 GQXWJQXDCCWAKF-IBGZPJMESA-N 426.557 3.887 0 40 IHAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)COc1ccc(OC)cc1 225548013 DJIIHOJUKHKGAY-RUZDIDTESA-N 446.547 3.769 0 40 IHAB COc1ccc(NS(=O)(=O)c2nnc(NC(=O)c3ccc(C)cc3)s2)cc1Cl 225716660 HBTXEQPYAIIRHD-UHFFFAOYSA-N 438.918 3.562 0 40 IHAB c1ccc(COc2ccccc2CN2CCOC[C@@H](Cc3nccn4cccc34)C2)nc1 257280701 OLZIWYPLMYCPFU-NRFANRHFSA-N 428.536 3.999 0 40 IHAB CC(=O)N1[C@@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cnc(C)cn1 257296094 RBEZCMJZEKHUGA-TYUWDEHNSA-N 432.568 3.790 0 40 IHAB COc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 260899252 KOPPICGJIBHMQF-CVDCTZTESA-N 442.581 3.598 0 40 IHAB O=Cc1ccc(-c2ccc(Cl)c(C(=O)OCC(=O)Nc3cccc(C(=O)O)c3)c2)o1 408599759 KMVMTAFWOXKADM-UHFFFAOYSA-N 427.796 3.906 0 40 IHAB O=C(NCc1ccc(F)cc1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 408614367 BJAPNQCZPYVTGT-QGZVFWFLSA-N 449.457 3.886 0 40 IHAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(F)cc2)C1 408701258 VBOBPSUEQXCADD-QGZVFWFLSA-N 434.533 3.997 0 40 IHAB Cc1cccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3cc(F)ccc3C)n2C)c1 409123256 BEPPWCRYHBSTQN-OAHLLOKOSA-N 441.532 3.793 0 40 IHAB CCn1c(CNC(=O)c2ccc(C)cc2)nnc1SCC(=O)Nc1cccc(Cl)c1 409349720 VYZIPMWMFTZIMQ-UHFFFAOYSA-N 443.960 3.921 0 40 IHAB OC1CCN(c2ncccc2NCc2ncc(-c3ccc(Br)cc3)[nH]2)CC1 540202747 KFLUYBOOOZHQFP-UHFFFAOYSA-N 428.334 3.807 0 40 IHAB O=C(Nc1cccc2ccncc12)C1[C@H]2[C@H]1[C@H]1C=C[C@H]2[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 579771188 ZINPFWWQWKTLPY-FVZFRCBOSA-N 449.510 3.653 0 40 IHAB O=C1COc2ccccc2CCCCOC2(CCN(Cc3ccc(F)cc3)CC2)CN1 2037985715 SWOVFSNISAUXJD-UHFFFAOYSA-N 426.532 3.708 0 40 IHAB CC[C@H](C)OC(=O)[C@H](C)n1cnc2sc(C(=O)Nc3ccccc3OC)c(C)c2c1=O 791247 SEMDPWIKESWLTE-JSGCOSHPSA-N 443.525 3.930 0 40 IHAB CCOc1ccc(NC(=S)N(CCN(C)C)Cc2cc3ccc(C)cc3[nH]c2=O)cc1 880604 YIEURNYHDLPFBM-UHFFFAOYSA-N 438.597 3.996 0 40 IHAB CCc1ccc(-n2nc3ccc(NC(=S)NC(=O)COc4ccccc4)cc3n2)cc1 977653 UHOGIPCLCLAUDS-UHFFFAOYSA-N 431.521 3.875 0 40 IHAB COCCNC(=O)c1cnn2c1N[C@H](c1ccc(Br)cc1)C[C@@H]2C(F)(F)F 2088245 XSTPUQWYWMEPSR-UONOGXRCSA-N 447.255 3.682 0 40 IHAB Cc1c(C)c2ccc(OCC(=O)N[C@H](Cc3ccc(Cl)cc3)C(=O)O)c(C)c2oc1=O 2114209 DAUZKCMABFABJP-GOSISDBHSA-N 443.883 3.563 0 40 IHAB biogenic O=c1/c(=C/c2ccc(-c3nc4ccccc4s3)o2)sc2nc(-c3ccncc3)nn12 2393054 GMKPMJXUVHHDQP-BOPFTXTBSA-N 429.486 3.630 0 40 IHAB COc1ccccc1N(C[C@@H](O)COc1ccccc1C)S(=O)(=O)c1ccccc1 2694492 AQYFPPJCZUFPEF-LJQANCHMSA-N 427.522 3.639 0 40 IHAB O=C(NCCN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccc(Cl)cc1 3116670 BPZSVYIKBZJIRC-UHFFFAOYSA-N 447.288 3.959 0 40 IHAB O=C(COC(=O)/C(=C/c1cccs1)c1cccs1)Nc1ccc2[nH]c(=O)[nH]c2c1 3358837 SQEPTWRCWZFYKW-GXDHUFHOSA-N 425.491 3.702 0 40 IHAB C[C@H](NC(=O)COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)c1ccccc1 3372005 XMCWLQYTLPLDAB-KRWDZBQOSA-N 442.471 3.517 0 40 IHAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N3CCN(c4ccccc4)CC3)c2)cc1 3620959 ANDGPDTUZOSBLQ-UHFFFAOYSA-N 449.576 3.783 0 40 IHAB CC(=O)Oc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(F)cc4)[C@@H]3C2=O)cc1 6142238 UVAZWQPBCIEZCG-ZRBLBEILSA-N 446.434 3.802 0 40 IHAB C[C@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(S(=O)(=O)N2[C@@H](C)CCC[C@H]2C)cc1 6174496 GHQNOWBZSFLQEI-XLAORIBOSA-N 428.620 3.590 0 40 IHAB C[C@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(=O)N1CC(=O)Nc2ccccc21 9204203 DNVLUCHLBPXROZ-HNNXBMFYSA-N 445.504 3.993 0 40 IHAB C[C@@H](Sc1nnc(-c2cccnc2)n1C1CC1)C(=O)N1CCN(c2ccccc2)CC1 9208227 HFXDLIVMUQBCPM-QGZVFWFLSA-N 434.569 3.504 0 40 IHAB C[C@H]1CCCC[C@@H]1NC(=O)CSc1nnc(-c2cc(Br)ccc2O)n1C 9226042 MNOMTZNJRFIDJS-FZMZJTMJSA-N 439.379 3.737 0 40 IHAB CCOc1ccccc1N(CC(=O)NC(c1ccccc1)c1ccccc1)S(C)(=O)=O 9227489 RUPQTIVRSHFDES-UHFFFAOYSA-N 438.549 3.757 0 40 IHAB COc1ccc(OC)c([C@H]2Oc3ccccc3C3=C2[C@H](c2cccnc2)N2N=CNC2=N3)c1 9291931 UEEWQXWRWFFPTO-BJKOFHAPSA-N 439.475 3.903 0 40 IHAB CS(=O)(=O)Nc1ccc(C(=O)CSc2nnc(Cc3cccs3)n2C2CC2)cc1 9376338 DJPHODITQUEJOW-UHFFFAOYSA-N 448.595 3.612 0 40 IHAB CCOc1ccc(N2CCn3c(SCC(=O)Nc4ccc(F)cc4F)nnc32)cc1 9574054 CHCNNRMIHFDBRB-UHFFFAOYSA-N 431.468 3.838 0 40 IHAB CCCn1cc(C(=O)Nc2ccc(OC)c(OC)c2)c2nn(-c3ccccc3)c(=O)c-2c1 9661539 UGFWUQKBFNOXBP-UHFFFAOYSA-N 432.480 3.818 0 40 IHAB Cc1ccccc1-n1c(SCC(=O)c2c[nH]c3ccccc23)nnc1N1CCOCC1 9724088 YUSNXOPLSGLVTP-UHFFFAOYSA-N 433.537 3.869 0 40 IHAB COC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-n2cccc2)cc1 9737754 RZIFKDZRJIFTFK-UHFFFAOYSA-N 433.493 3.575 0 40 IHAB O=C(CNC(=O)c1ccc2ccccc2c1)Nc1ccc2nc(N3CCOCC3)sc2c1 9883085 RMRIPDMUTNCBMG-UHFFFAOYSA-N 446.532 3.655 0 40 IHAB Nc1c(N(CCC2=CCCCC2)C(=O)C2CCCC2)c(=O)[nH]c(=O)n1Cc1ccccc1 9951093 KDSDOPNLMKXCBP-UHFFFAOYSA-N 436.556 3.581 0 40 IHAB CCCn1cc(C(=O)N2CCN(c3ccccc3)CC2)c2nn(-c3ccccc3)c(=O)c-2c1 10062638 HJVLOLCUFMQRFG-UHFFFAOYSA-N 441.535 3.511 0 40 IHAB COC(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)c1 10328508 FSLDOJYVGHOLAR-CQSZACIVSA-N 438.933 3.537 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(CN3CCCCC3)cc2)cc1 10372143 LHZREVNEQKBOMT-UHFFFAOYSA-N 429.586 3.955 0 40 IHAB CC(C)C(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)c2cccc(CN3CCCC3=O)c2)cc1 10607872 RDKQTJNZBADHCQ-QGZVFWFLSA-N 436.508 3.832 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)CSc1nc(=O)c2c3c(sc2[nH]1)CCCC3 12411179 UZVYFXHISHHWFO-UHFFFAOYSA-N 443.550 3.771 0 40 IHAB COc1ccc2nc(-c3ccc(C)c(NS(=O)(=O)c4ccc(F)c(C)c4)c3)cn2n1 12441356 MPMBBVYMPDKYAM-UHFFFAOYSA-N 426.473 3.962 0 40 IHAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CSc1nc(C)c(C)n1C1CCCC1)n2CC 12540598 ADBJZNWMZJPWAM-UHFFFAOYSA-N 444.605 3.927 0 40 IHAB COc1ccc(C2=NN(C(=O)COc3ncnc4ccccc34)[C@@H](c3ccco3)C2)cc1 12548737 WTQIDARXWXLRMR-OAQYLSRUSA-N 428.448 3.988 0 40 IHAB COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCc2cc(O)c(OC)cc2[C@H]1C 12660542 HZIQJWMOYLBHSV-CQSZACIVSA-N 437.496 3.535 0 40 IHAB biogenic CCOC(=O)c1[nH]c(C)c(C(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)c1C 12889541 YORIBUKLWWVHPW-UHFFFAOYSA-N 425.407 3.538 0 40 IHAB C/C(=C\C(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1)C(=O)O 13579185 FWKUEQMYSQYDLW-YPDDLIOESA-N 442.493 3.547 0 40 IHAB Cc1cnc(NC(=O)Cc2csc(NS(=O)(=O)c3ccc(Cl)cc3)n2)s1 13732163 KQQLSKVYNILXCV-UHFFFAOYSA-N 428.948 3.543 0 40 IHAB C[C@H](Sc1nnnn1C[C@@H]1CCCO1)c1nc2scc(-c3cccs3)c2c(=O)[nH]1 14242615 FRRKEFRMFQMBOO-QWRGUYRKSA-N 446.583 3.732 0 40 IHAB Cc1ccc(-c2nc(Cn3c(=O)n(C[C@@H]4CCCO4)c(=O)c4ccccc43)c(C)o2)cc1 15829307 RSDKFZGRFMQOJR-IBGZPJMESA-N 431.492 3.662 0 40 IHAB Cc1ccc(Cl)cc1NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 16347377 HIKHBCCBKULKBZ-UHFFFAOYSA-N 431.739 3.670 0 40 IHAB O=C(NCCN(CCO)C(=O)c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 16398749 JBMUXCYRHVZIPI-UHFFFAOYSA-N 448.363 3.589 0 40 IHAB Cc1nc2sc([C@@H](c3cccc(Br)c3)N3C[C@H](C)O[C@H](C)C3)c(O)n2n1 17144215 JCKYSIBHMXJEEI-JRPNMDOOSA-N 437.363 3.766 0 40 IHAB COCCN1C(=O)c2ccccc2[C@@H](C(=O)N=c2[nH]c3ccccc3[nH]2)C12CCCCC2 20744387 IXPIOIRCOCXKDT-NRFANRHFSA-N 432.524 3.512 0 40 IHAB CCN(CC)S(=O)(=O)c1cccc(C(=O)NCCc2ccc(Br)s2)c1 22323603 XNZWCXODKOGDLW-UHFFFAOYSA-N 445.404 3.514 0 40 IHAB Cc1ccc2nc(N(CCCN3CCOCC3)C(=O)COc3ccccc3)sc2c1 22997585 KDRXXFJVIXRROQ-UHFFFAOYSA-N 425.554 3.739 0 40 IHAB CCC(=O)Nc1ccc(S(=O)(=O)NCC2CCN(Cc3cccs3)CC2)c(C)c1 23127729 MKPIRIYGRZXBTE-UHFFFAOYSA-N 435.615 3.596 0 40 IHAB O=C(c1cn(Cc2ccccc2)nc1-c1cccs1)N1CCN(C[C@H]2CCCO2)CC1 23934936 QGSNSUNVJIKTDR-HXUWFJFHSA-N 436.581 3.597 0 40 IHAB O=C(CSCc1cc(=O)n2ccsc2n1)N[C@@H](c1ccccc1)c1cccs1 25775693 KQLNPCOEADBONL-IBGZPJMESA-N 427.576 3.957 0 40 IHAB CCOc1ccc(CN(C(=O)Cc2cccc3ccccc23)[C@@H]2CCS(=O)(=O)C2)cc1 28228297 IQEIOUJCDWHIHO-JOCHJYFZSA-N 437.561 3.997 0 40 IHAB COC[C@H](C)n1c(S[C@H](C)C(=O)N2CCc3ccccc3C2)nc2ccccc2c1=O 28683687 WQLALCWTGXBWIL-DLBZAZTESA-N 437.565 3.669 0 40 IHAB NC(=O)c1cc(NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)ccc1Cl 30250168 ACLLZKXZVJHYQM-UHFFFAOYSA-N 441.336 3.818 0 40 IHAB O=C(Nc1ccccc1C(=O)N1CCOCC1)[C@H]1CCCN(Cc2ccccc2Cl)C1 30939804 MRBTTYBGNLVBBN-IBGZPJMESA-N 441.959 3.663 0 40 IHAB CC(=O)c1cccc(N2C(SCc3ccccc3Cl)=N[C@@H]3CS(=O)(=O)C[C@H]32)c1 32640487 DLHHQDLIZGNHOJ-RTBURBONSA-N 434.970 3.818 0 40 IHAB CC(=O)c1cccc(N2C(SCc3ccc(C)c(C)c3)=N[C@H]3CS(=O)(=O)C[C@H]32)c1 32641101 XYFCYCZBFKYJAL-LEWJYISDSA-N 428.579 3.781 0 40 IHAB Cc1cccn2c(=O)cc(CSc3nnc(-c4cccs4)n3C[C@H]3CCCO3)nc12 32671917 HYQBZWQMOVPHHL-MRXNPFEDSA-N 439.566 3.794 0 40 IHAB O=S(=O)(Nc1ccc(Cl)c(Cl)c1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 32755029 PRZLEOCUYIIKKY-UHFFFAOYSA-N 449.381 3.969 0 40 IHAB Cc1ccc(/C=C2/SC(=O)N(CCNC(=O)c3cc4ccccc4oc3=O)C2=O)cc1 33530893 NGEHHJUOUWELOD-XDHOZWIPSA-N 434.473 3.568 0 40 IHAB CCC(C)(C)n1nnnc1[C@H](c1ccccc1)N1CCN(Cc2ccccc2OC)CC1 35290726 ASHWTZFSTJVRSP-QHCPKHFHSA-N 434.588 3.734 0 40 IHAB Cc1sc(NC(=O)CN(Cc2ccc(F)cc2)C(=O)c2cccs2)c(C(N)=O)c1C 35312684 KLEZYBCXAVGWPB-UHFFFAOYSA-N 445.541 3.946 0 40 IHAB CN(C)c1ccc(NC(=O)CSc2nnc(NC(=O)Cc3cccs3)s2)cc1 35314373 SDFHUQGKGNZZNQ-UHFFFAOYSA-N 433.584 3.578 0 40 IHAB Cc1ccc2[nH]c3c(=O)n(CCC(=O)NCc4cccc(C(F)(F)F)c4)cnc3c2c1 35424221 HMYXUYFUEFBXHO-UHFFFAOYSA-N 428.414 3.912 0 40 IHAB c1ccc2ncc(CN3CCC[C@H]3c3nc(-c4ccnc(N5CCOCC5)c4)no3)cc2c1 35424585 YPILLEWYOOWPBU-QFIPXVFZSA-N 442.523 3.854 0 40 IHAB biogenic,in-vitro CSc1nnc(NC(=O)c2sc3ncn(Cc4ccccc4)c(=O)c3c2C)s1 35671828 KDTVAXJNPVFMHW-UHFFFAOYSA-N 429.552 3.640 0 40 IHAB CCOc1ccc(OCC(=O)Nc2ccc(C(=O)N3CC(=O)Nc4ccccc43)cc2)cc1 36391164 GTKXROXRJXIDNQ-UHFFFAOYSA-N 445.475 3.702 0 40 IHAB Cc1nc(CSCC(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)cs1 36397209 CPBKCVJZPUFEMP-SFHVURJKSA-N 426.007 3.528 0 40 IHAB COc1ccc(S(=O)(=O)NC2(c3ccc(Br)cc3)CCC2)cc1OC 40157113 XNPWKUIBGSICDM-UHFFFAOYSA-N 426.332 3.824 0 40 IHAB NC(=O)[C@H]1CCCN(c2ccc(C(=O)N3CCC[C@@H](c4nc5ccccc5o4)C3)cc2)C1 58141790 BGUKNPNAICKVRS-RBUKOAKNSA-N 432.524 3.549 0 40 IHAB Cc1nc(-c2cccc(NC(=O)[C@H]3CCCN(c4cc(-n5cccn5)ncn4)C3)c2)cs1 70656021 UDXLPBZPGGCZMS-SFHVURJKSA-N 445.552 3.949 0 40 IHAB Cc1cc(=O)oc2c3c(cc(OCC(=O)N[C@H]4CCOC(C)(C)C4)c12)OC(C)(C)CC3 70666436 BPWXANDMCYDCCJ-HNNXBMFYSA-N 429.513 3.658 0 40 IHAB biogenic COc1ccc(CNC(=O)c2cn(-c3ncccc3-c3nc(C(C)(C)C)no3)cn2)cc1 71768604 YWEGYKKDEIXLGG-UHFFFAOYSA-N 432.484 3.553 0 40 IHAB Cc1nn(C)c(C)c1-c1ccc(=O)n(CC(=O)Nc2ccc(Oc3ccccc3)cc2)n1 72340371 RGICOGDOPRYBQN-UHFFFAOYSA-N 429.480 3.692 0 40 IHAB COc1cc(CN2CCC[C@@H]2c2cccc(Nc3cccc(C)n3)n2)ccc1OCC(N)=O 72375744 SOAYMBFVTMNGTI-HXUWFJFHSA-N 447.539 3.738 0 40 IHAB CNc1cc([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc(CN(C)Cc2ccc(OC)cc2)n1 72391876 DLUSFFXAYBZSCE-OAQYLSRUSA-N 445.567 3.675 0 40 IHAB COc1cccc2[nH]c(C(=O)N3CCC[C@@H](c4cc(C(F)(F)F)n5ncnc5n4)C3)cc12 72393668 ROXNLFNVYJOIJZ-GFCCVEGCSA-N 444.417 3.653 0 40 IHAB O=S(=O)(NCCN1CCC(c2cccs2)CC1)c1ccc(OC(F)(F)F)cc1 77104217 MYNKKJAYTPMJIL-UHFFFAOYSA-N 434.505 3.805 0 40 IHAB CC(C)N(C(=O)c1ccccc1I)c1ccccc1S(C)(=O)=O 79015517 LBWCWHDRDXVSHS-UHFFFAOYSA-N 443.306 3.750 0 40 IHAB COc1cc(OC)cc(C(=O)NC2CCN(c3ccc(-c4cccc(F)c4)nn3)CC2)c1 90591657 PTCBVPWJCODEAQ-UHFFFAOYSA-N 436.487 3.699 0 40 IHAB Cc1nc2c3ccc(Br)cc3nn2c(C)c1CC(=O)N[C@H]1CCOC(C)(C)C1 95480604 LGNGWSXHQOBCKW-HNNXBMFYSA-N 445.361 3.878 0 40 IHAB O=S(=O)(N[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1)c1ccc2c(c1)CCCC2 206791274 NTZFAOWAJFYIEJ-KRWDZBQOSA-N 425.476 3.536 0 40 IHAB Cc1ccc2c(c1)[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c3cccs3)C1)CC(C)(C)O2 219259105 ZUXOXARLVCBFGO-WMZOPIPTSA-N 448.610 3.876 0 40 IHAB CC[C@H](C(=O)Nc1cc(OC)c(Cl)cc1OC)N(c1ccccc1F)S(C)(=O)=O 220599151 PDLHVYNFPIMILY-OAHLLOKOSA-N 444.912 3.680 0 40 IHAB Nc1nnc(COc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2Cl)s1 222641732 MILPAKIHAUWGAC-UHFFFAOYSA-N 431.326 3.807 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCCSC1CCCCC1)c1ccc(F)c(F)c1 222677997 YQCOKYSGSQKBFP-UHFFFAOYSA-N 434.574 3.693 0 40 IHAB C[C@H](C(=O)NC[C@H]1CCCO1)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1 222925306 YPNJRBPJPWKCNJ-IIBYNOLFSA-N 432.923 3.734 0 40 IHAB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(N(C)C)cc1 223063854 GPYYAEXIBBRPLK-XZOQPEGZSA-N 435.597 3.947 0 40 IHAB COc1ccc(Br)cc1S(=O)(=O)NCCSCc1cccc(C)c1 223497795 GLTPPDKDCBBBGH-UHFFFAOYSA-N 430.389 3.978 0 40 IHAB CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN1C(=O)c2cccc3cccc1c23 223616277 DDFXLUSOMXEYGB-SFHVURJKSA-N 429.520 3.662 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)NCCCN3CCC[C@@H](C)C3)c2)cc1 224263853 UGOQKGSNEVOLRR-HXUWFJFHSA-N 443.613 3.672 0 40 IHAB CC(C)n1c(=O)sc2cc(NC(=O)c3cc(NS(C)(=O)=O)ccc3Cl)ccc21 225162603 BMMUBACBVBRTRL-UHFFFAOYSA-N 439.946 3.921 0 40 IHAB CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCCN1C(=O)c2cccc3cccc1c23 225207258 MRJMJFXQJKIAQO-SFHVURJKSA-N 429.520 3.744 0 40 IHAB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCCc1cccc2ccccc12 225623879 KIOXBEBTXAOXHN-GOSISDBHSA-N 440.565 3.752 0 40 IHAB COc1ccc(CN(C(=O)CCCOc2ccc(OC)cc2)[C@@H](C)C(=O)NC(C)C)cc1 225676485 QLDMBFUMYXWSIC-IBGZPJMESA-N 442.556 3.805 0 40 IHAB CCCSc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)s1 225700029 WISKRCBIXUQBTP-UHFFFAOYSA-N 440.616 3.857 0 40 IHAB CC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N(C)C(=O)c2cc3c(s2)CCC3)CC1 257204861 AWPHGFMPJUXGBX-DNRQZRRGSA-N 440.609 3.686 0 40 IHAB CNc1cc([C@H](Cc2c[nH]c3ccccc23)NC(=O)CCn2nccc2C)nc(C2CC2)n1 257206623 BEGRSQOCCLEWGL-NRFANRHFSA-N 443.555 3.872 0 40 IHAB CN(C)C(=O)c1sc2nccnc2c1C1CCN(C(=O)c2cc(F)cc(F)c2)CC1 257252988 JXCLZBFPLFWZQP-UHFFFAOYSA-N 430.480 3.691 0 40 IHAB Cc1cc(Nc2cc(C3CCN(CC(=O)Nc4c(F)cccc4F)CC3)nc(C)n2)[nH]n1 257315986 VDQDOCUAGKXZBH-UHFFFAOYSA-N 441.486 3.656 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NC2CCCCCC2)C1 408562009 WWXVEZJMUGDFAO-OAHLLOKOSA-N 428.982 3.588 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 408618365 JZYVRWGYBNMNRA-UHFFFAOYSA-N 438.933 3.702 0 40 IHAB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1cccs1 408641530 COTYPEACBGEEDN-KODHJQJWSA-N 442.924 3.673 0 40 IHAB COc1ccc(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)cc1OC 409184203 YECQVHMCXYNVBE-UHFFFAOYSA-N 426.494 3.781 0 40 IHAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)cc1 409206786 PXDLEIHPPCOQST-UHFFFAOYSA-N 430.448 3.657 0 40 IHAB CC(C)CCNC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 409272062 OEHQMEOSHNRESH-UHFFFAOYSA-N 439.375 3.807 0 40 IHAB CCCc1cnc(Nc2cc(C)nc(C3CCN(C(=O)[C@@]4(C)CCCN4)CC3)n2)s1 585263276 AFPYXDFPZBFQHG-JOCHJYFZSA-N 428.606 3.786 0 40 IHAB C=CC(=O)Nc1ccc(O)c(C(=O)N[C@H]2CSCc3ccc(Br)cc32)c1 1146362096 GIGLPPAWEWXGNQ-INIZCTEOSA-N 433.327 3.997 0 40 IHAB COc1ccc(Cl)cc1NC(=O)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1 1775974941 XYEBTGIFAIGMNE-UHFFFAOYSA-N 428.798 3.643 0 40 IHAB COc1ccc(-c2csc(NC(=O)Cn3c(=O)sc4ccccc43)n2)cc1OC 809698 ZHNBAHPNEACOIH-UHFFFAOYSA-N 427.507 3.842 0 40 IHAB COC(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CC(C)C)cc1 1329071 RWUVKILJCSRAPD-UHFFFAOYSA-N 425.510 3.570 0 40 IHAB COc1ccc(NC(=O)CCCc2nc(-c3cc(OC)c(OC)c(OC)c3)no2)cc1 2432685 DQIMGCACHZGWIA-UHFFFAOYSA-N 427.457 3.732 0 40 IHAB COc1ccc(NC(=O)CN2C(=O)C(c3ccccc3)=NC23CCC(C)CC3)cc1OC 2705702 IYDYJHGLURTARZ-UHFFFAOYSA-N 435.524 3.880 0 40 IHAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnc(Cc2cccc3ccccc23)n1N 3263401 LLWLHOYPXHMDET-MRXNPFEDSA-N 429.549 3.806 0 40 IHAB CCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1 3270268 QZVNQYQPWJAMJI-UHFFFAOYSA-N 446.266 3.660 0 40 IHAB CCCCn1c(=O)c(CCC(=O)OCC(=O)NC2CCCCCC2)nc2ccccc21 6138549 UWTQQGYFIQGGMK-UHFFFAOYSA-N 427.545 3.511 0 40 IHAB Cc1cc(C)c(S(=O)(=O)N(CCCO)Cc2cc3ccc(C)c(C)c3[nH]c2=O)c(C)c1 6410171 TUKRAQNXDGJZON-UHFFFAOYSA-N 442.581 3.644 0 40 IHAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C/C(=O)OCc1nnnn1-c1ccccc1 8825664 DEDBERWBUNMROM-VAWYXSNFSA-N 438.850 3.706 0 40 IHAB Cn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)c1ccc2c(c1)OCCO2 8860968 IDSHFIAYVCROAQ-UHFFFAOYSA-N 431.901 3.794 0 40 IHAB COc1ccc(N2C[C@@H](CNC(=O)NCc3cccc4ccccc34)OC2=O)cc1OC 8868443 HVZYMIVMNRMDFQ-LJQANCHMSA-N 435.480 3.682 0 40 IHAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)c1 9063435 FTSACTSWQALHIA-UHFFFAOYSA-N 444.915 3.764 0 40 IHAB O=C(Nc1nc2c(s1)CCC[C@H]2C(=O)NCCc1ccccc1)c1ccc2c(c1)OCO2 9104074 JFVCMGGZTINPSZ-QGZVFWFLSA-N 449.532 3.903 0 40 IHAB CC(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)c1 9125837 HDPCLWFRFVAVDQ-UHFFFAOYSA-N 429.542 3.851 0 40 IHAB Cc1ccc(-n2nnnc2SCC(=O)N2CCS[C@@H]2c2ccccc2F)c(C)c1 9256100 JUMVDLKSOBPSNR-LJQANCHMSA-N 429.546 3.785 0 40 IHAB O=C(CCN1C(=O)S/C(=C/C=C/c2ccccc2)C1=O)Nc1ccc(C(=O)O)c(O)c1 9303104 ABOYZVUDLVUSGD-FLGOTCTISA-N 438.461 3.712 0 40 IHAB CCOC(=O)C1=C(C)Oc2ncn3nc(-c4ccncc4)nc3c2[C@H]1c1ccc(OC)cc1 9348307 LFDSGFUZUXCLEL-IBGZPJMESA-N 443.463 3.556 0 40 IHAB COc1ccc(Oc2c(C)oc3cc(OCC(=O)NCc4ccccn4)ccc3c2=O)cc1 9422132 FVGZCCFUWLLTGI-UHFFFAOYSA-N 446.459 3.993 0 40 IHAB CC(C)(C)NC(=O)NC(=O)CSc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1 9508246 COGXSZUWUSMVPA-UHFFFAOYSA-N 441.532 3.849 0 40 IHAB CC(C)CCn1nc(C(=O)O[C@@H](C)C(=O)N2CCCc3ccccc32)c2ccccc2c1=O 9509895 DMYCLGRVTKDGKV-SFHVURJKSA-N 447.535 3.967 0 40 IHAB O=C(CSc1nnc(NCc2ccco2)s1)N1CCN(c2ccccc2Cl)CC1 9605836 FKRBMKHQSFIKCP-UHFFFAOYSA-N 449.989 3.838 0 40 IHAB O=C(CSc1ncnc2ccccc12)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 9633271 DHUSRPCMPBHKFV-UHFFFAOYSA-N 442.566 3.535 0 40 IHAB CCOc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccc(C(C)(C)C)cc4)c3n2)cc1 9738939 ZIFWIKAXIPVDGC-UHFFFAOYSA-N 431.496 3.571 0 40 IHAB Cc1ccc(NCc2ccc(F)cc2Br)cc1S(=O)(=O)N1CCOCC1 11170196 BZAZUVJVZCVNTJ-UHFFFAOYSA-N 443.338 3.530 0 40 IHAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc2ccccc2cc1NC(=O)C1CC1 11508676 HSFFKGSEWPFXKG-UHFFFAOYSA-N 426.476 3.697 0 40 IHAB O=C(Nc1ccccc1F)c1cc2ccccc2o/c1=N\NS(=O)(=O)c1ccccc1 12437584 HPNAEBXRIHDGKC-LVWGJNHUSA-N 437.452 3.618 0 40 IHAB C[C@H](c1nnc(SCc2nc3ccsc3c(=O)[nH]2)n1-c1ccc(F)cc1)N(C)C 12517183 UNEFMMKLYZIEEK-LLVKDONJSA-N 430.534 3.619 0 40 IHAB COc1ccc([C@H]2CCCN2S(=O)(=O)c2ccccc2Br)c(OC)c1 12758726 YWFAALMMMQLGEO-MRXNPFEDSA-N 426.332 3.992 0 40 IHAB CCC(C)(C)NC(=O)[C@H](c1ccccn1)N(Cc1ccc(C)cc1)C(=O)c1csnn1 12872309 CLPCVZYIYORBCX-FQEVSTJZSA-N 437.569 3.930 0 40 IHAB O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CC(=O)N1CCC[C@H]2CCCC[C@@H]21 12875561 DDOKQKFZPOOBAH-KNQAVFIVSA-N 431.536 3.663 0 40 IHAB CCCNC(=O)[C@@H](C)NC(=O)/C=C/c1c(C)nn(Cc2c(Cl)cccc2Cl)c1C 12879235 MEQXBOMWYKHYLG-ATWMFIQVSA-N 437.371 3.899 0 40 IHAB Cc1nc(COc2ccc(C(=O)N[C@@H](C)c3ccc(S(C)(=O)=O)cc3)cc2)cs1 12884751 NCCUKGQSLBWHKF-AWEZNQCLSA-N 430.551 3.925 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCCN3CCc4ccccc43)cc2)cc1 13670856 IQUXDXLYAPZBRV-UHFFFAOYSA-N 449.576 3.978 0 40 IHAB CCCCNC(=O)c1ccccc1NC(=O)[C@H](CC)N(c1ccc(F)cc1)S(C)(=O)=O 13686470 IERDPDFNLMGHHN-FQEVSTJZSA-N 449.548 3.539 0 40 IHAB Cc1nc2cc(C(=O)Nc3ccc(N4CCN(C)CC4)nc3)ccc2n1-c1ccccc1 14519730 XNUQRVHOVVTBOT-UHFFFAOYSA-N 426.524 3.733 0 40 IHAB C=CCN1C(=O)/C(=N/Nc2nc3ccccc3c(=O)n2CCCOC(C)C)c2ccccc21 15513838 WIQLLOZFJCPQPT-HPNDGRJYSA-N 445.523 3.560 0 40 IHAB CCN1CCN2c3cccc(Cl)c3C[C@]3(C(=O)N(c4ccccc4)C(=O)N=C3O)[C@@H]2C1 16956712 IIWDOUYSHMKYQW-CVDCTZTESA-N 438.915 3.516 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1nnc(-c2ccccc2)s1 18702504 SZCGPTBBYDNTRW-UHFFFAOYSA-N 442.566 3.940 0 40 IHAB CC(C)Nc1ncc(-c2ccncc2)c(C2CCN(C(=O)c3nn(C)cc3Cl)CC2)n1 19450273 TVZWCIDRRNBRMP-UHFFFAOYSA-N 439.951 3.766 0 40 IHAB COc1ccc(CC(=O)N2CCC(c3cc(C(=O)N[C@@H](C)c4ccncc4)on3)CC2)cc1 19459784 WDFYASRFOQFKHE-KRWDZBQOSA-N 448.523 3.518 0 40 IHAB COc1ccccc1-c1nc(CN2CCN(CC(=O)Nc3ccc(C)cc3)CC2)cs1 19536810 RADDSPFMMPANIK-UHFFFAOYSA-N 436.581 3.883 0 40 IHAB CNC(=O)[C@@]1(Cc2ccc(-c3ccc(OC)cc3)cc2)CCCN(C(=O)c2ccccn2)C1 19591208 HDFKIVWBNOEQRV-HHHXNRCGSA-N 443.547 3.968 0 40 IHAB CNC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2cccc(OC)c2OC)C1 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Cc1cc(C)c(NC(=O)Cn2nc3c4cc(-c5ccc(F)cc5)nn4ccn3c2=O)c(C)c1 38487192 FBMTUODUNHETHG-UHFFFAOYSA-N 444.470 3.514 0 40 IHAB CCn1cc(C(=O)Nc2ccc(-c3cn4c(n3)SCC4)cc2)c(=O)c2ccc(C)nc21 38735932 XXNUIHGGLNODPJ-UHFFFAOYSA-N 431.521 3.946 0 40 IHAB C[C@@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N(C)Cc1ccccc1C(F)(F)F 40051447 KQCGZODFHRHEGP-ZDUSSCGKSA-N 437.418 3.645 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)NC[C@@H]4CCCO4)cc3c2)cc1 46058622 TZJMIXXLFLEYMJ-SFHVURJKSA-N 444.578 3.944 0 40 IHAB Cc1csc([C@@](O)(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)C(F)(F)F)n1 58811425 TWGKNYGVHWIASJ-INIZCTEOSA-N 433.477 3.842 0 40 IHAB CCOc1ccccc1NC(=O)c1nnn(CC(=O)Nc2cccc(SC)c2)c1C 67322680 LOHNBUCDXJWKHY-UHFFFAOYSA-N 425.514 3.598 0 40 IHAB COc1ccccc1NC(=O)COc1ccc(C(=O)OCc2nc(C)c(C)o2)cc1OC 69950619 SNNBWXKOVXMLJW-UHFFFAOYSA-N 440.452 3.683 0 40 IHAB Cc1cc(-c2cc(=O)n(CC(=O)N3c4ccccc4C[C@H]3C)nc2-c2cccs2)on1 72337028 ZXBCOJHTMHWNLM-OAHLLOKOSA-N 432.505 3.913 0 40 IHAB O=S(=O)(c1cccc2cccnc12)N1CCC[C@H](c2nnc(-c3cccs3)o2)C1 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ALKHOIMNVKABLV-FQEVSTJZSA-N 434.539 3.558 0 40 IHAB CC(C)c1ccccc1OCCNC(=O)COc1ccc(I)cc1 223798348 ZGUGDDZGSGOMHU-UHFFFAOYSA-N 439.293 3.989 0 40 IHAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc(OC)c(OC)c1 223880015 IWAXHLUYLDPBQG-QGZVFWFLSA-N 430.520 3.719 0 40 IHAB CCCc1ccc(OCCNS(=O)(=O)c2ccc(OC)c(Br)c2)cc1 223978847 FDPWZEXZQIYYTE-UHFFFAOYSA-N 428.348 3.768 0 40 IHAB Cc1ccc(C)c(OCCNC(=O)CCCN(c2cc(C)ccc2C)S(C)(=O)=O)c1 224011480 SDXHBNTTWLYRKE-UHFFFAOYSA-N 432.586 3.662 0 40 IHAB COc1ccc(NC(=O)c2cccc(N(C)S(=O)(=O)c3ccc(OC)cc3)c2)cc1 224279214 VRXXRYGDKLHUNY-UHFFFAOYSA-N 426.494 3.781 0 40 IHAB CCc1cccc(CC)c1N(CCCC(=O)NCCOc1ccccc1)S(C)(=O)=O 224826986 UAHRXDATBMGWJR-UHFFFAOYSA-N 432.586 3.553 0 40 IHAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2OC)cc1C(=O)N1CCC(C)CC1 225850526 VABIIIVBTMCZSA-QGZVFWFLSA-N 446.569 3.615 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCc2cccc3ccccc23)cc1 226046606 USXKZZWWBBRHEP-UHFFFAOYSA-N 426.538 3.566 0 40 IHAB O=C([C@H]1Cc2cc(Cl)ccc2O1)N1CCC(c2cncc(Nc3ccccn3)n2)CC1 257316237 VESZGRSXFYIMIG-HXUWFJFHSA-N 435.915 3.978 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3F)CC2)cc1Cl 408593884 OTAGVOMERNEGEZ-UHFFFAOYSA-N 440.924 3.917 0 40 IHAB COc1cc(/C=C(\Sc2nnc(C)o2)C(=O)O)ccc1OCc1ccc2c(c1)OCO2 408632555 RGWWQTWGOORPDI-OCKHKDLRSA-N 442.449 3.912 0 40 IHAB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1)Nc1ccccc1Cl 408653302 FDMNAMROHYJXFY-IAGOWNOFSA-N 440.883 3.815 0 40 IHAB COc1ccc(Cl)cc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 408672482 ZJVPQJDDFLVQMD-LBPRGKRZSA-N 437.279 3.537 0 40 IHAB CC(=O)N1CCN([C@H]2CC[C@H](c3ccccc3)CC2)C[C@](O)(COc2ccc(C)cc2)C1 585281871 DEUUIUORUBUBPJ-KLJDGLGGSA-N 436.596 3.995 0 40 IHAB CC(C)C[C@@H]1NC(=O)C2(CCCCCOC[C@@H](C)NC1=O)CCN(CC1CCCC1)CC2 643581685 QNLNKZWEFPLHRY-GGAORHGYSA-N 449.680 3.885 0 40 IHAB CCC(CC)CN1CCC2(CCCCOCCCNC(=O)[C@H]([C@@H](C)CC)NC2=O)CC1 643581784 ZWQFLKKUURFDKH-UNMCSNQZSA-N 437.669 3.743 0 40 IHAB CCc1ccc(C(=O)N2CC[C@@]3(CCc4nc(-c5ccccc5)cc(=O)n4CC3)C2)cn1 1565556080 WHWCMFOVFJPVTO-AREMUKBSSA-N 428.536 3.737 0 40 IHAB CCOc1ccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(O)c(OCC)c2)cc1 708965 PDOWGVZMOOIJJC-HXUWFJFHSA-N 427.526 3.621 0 40 IHAB O=C(NCCc1ccc(F)cc1)[C@@H]1CCCN(S(=O)(=O)c2cccc3ccccc23)C1 1347100 MZKSDMDVLQVECV-HXUWFJFHSA-N 440.540 3.739 0 40 IHAB O=C(CSc1nnc(C2CC2)n1-c1ccccc1)Nc1ccc(N2CCOCC2)cc1 2621304 MOMJGOWLRVTZNE-UHFFFAOYSA-N 435.553 3.712 0 40 IHAB CN(C)CCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@@H]1c1ccccc1 2890456 DFBMNDNOWRVTLC-SFHVURJKSA-N 427.298 3.662 0 40 IHAB CCC[C@H](C)COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc2c(cc1Br)OCO2 4065756 OAVZHJPJKVQRTE-DYZYQPBXSA-N 439.306 3.785 0 40 IHAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)Nc1ccc2[nH]c(O)nc2c1 6498459 SIUKICZKDVMRTC-UHFFFAOYSA-N 440.456 3.769 0 40 IHAB Cc1cc(C)cc(NC(=O)CSc2nnc(Cn3c(=O)sc4ccccc43)n2C)c1 6577030 LGINCOUVYTWOSQ-UHFFFAOYSA-N 439.566 3.587 0 40 IHAB aggregator Cc1c(S(=O)(=O)CCNC(=O)NC(C)(C)C)c2ccccc2n1Cc1ccccc1 8808525 CJEQKGNUGILTGZ-UHFFFAOYSA-N 427.570 3.869 0 40 IHAB CCN(CC(=O)Nc1ccccc1OC)Cc1cc(=O)n2c(-c3ccccc3)csc2n1 9170753 KZKKKVPMUFBSHG-UHFFFAOYSA-N 448.548 3.892 0 40 IHAB COc1ccc(CNc2nc(-c3cccnc3)nn2S(=O)(=O)c2ccc(C)cc2)cc1 9288808 SZNDWOOGXXDYMT-UHFFFAOYSA-N 435.509 3.506 0 40 IHAB CSCC[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)OCC(=O)NC1CCCCC1 9317151 MFKPIBQKIJCOAJ-FQEVSTJZSA-N 448.629 3.828 0 40 IHAB COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccccc4OC)cc3)CC2)cc1 9427052 HBVNQVAJEWPYOK-UHFFFAOYSA-N 445.519 3.919 0 40 IHAB NC(=O)C1CCN(CCOc2ccc3cc(-c4ccc(Cl)cc4)c(=O)oc3c2)CC1 9435873 ZRWYAQADZIDLRE-UHFFFAOYSA-N 426.900 3.690 0 40 IHAB biogenic COc1ccc(CN(C)C(=O)COC(=O)c2c(C)nn(-c3ccc(F)cc3)c2Cl)cc1 9507130 PZPKDMWXPAGLBN-UHFFFAOYSA-N 445.878 3.797 0 40 IHAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)Oc2ccc3c(C)c(C)c(=O)oc3c2)C(C)C)cc1 9510530 ZZBSPPLURDAZQC-NRFANRHFSA-N 443.521 3.627 0 40 IHAB COc1cc(CN(C)C(=O)Cn2cnc3ccccc3c2=O)ccc1OCc1ccccc1 9578872 AYOAOPJCSHTWNH-UHFFFAOYSA-N 443.503 3.643 0 40 IHAB CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)c1nc(C(F)(F)F)nc2ccccc12 9608175 FBZLSLOXLAICSD-UHFFFAOYSA-N 445.445 3.560 0 40 IHAB CCC(=O)c1ccc(OCC(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 9632665 DJROSSVXIWDJDI-UHFFFAOYSA-N 444.553 3.862 0 40 IHAB CCN(CC(=O)NCc1cccs1)C(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 9634956 GPKHOYWFRCUUIR-UHFFFAOYSA-N 425.510 3.680 0 40 IHAB O=C(N[C@H]1CCOc2ccccc21)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 9639374 KAQYXCLMNRSAJW-NRFANRHFSA-N 434.517 3.692 0 40 IHAB CCn1c(CSc2nnc(-c3ccoc3C)o2)nc2cc(S(=O)(=O)N(C)C)ccc21 9670015 NZKJXMZJESQBJO-UHFFFAOYSA-N 447.542 3.550 0 40 IHAB O=C(NC1CCN(C(=O)NCc2ccc(COCC(F)(F)F)cc2)CC1)c1ccccc1 9756894 FMXSYGHMGSCVQF-UHFFFAOYSA-N 449.473 3.870 0 40 IHAB CN(C)S(=O)(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1 9815394 PEIJEOSKXCQLAC-UHFFFAOYSA-N 430.979 3.689 0 40 IHAB CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(COc3ccccc3)o2)cc1 10743594 YTOABASSWZOTRJ-UHFFFAOYSA-N 442.537 3.616 0 40 IHAB COc1cc(C)c(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1OC 11605183 RMJCGXZPIBACOH-UHFFFAOYSA-N 427.526 3.760 0 40 IHAB CC(C)c1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)c2cc(-c3ccco3)on2)n1 12008013 SYXNASKAAHBQEB-UHFFFAOYSA-N 446.423 3.839 0 40 IHAB CC[C@H](C(=O)NCCn1ncc2c(=O)n(Cc3cccc(Cl)c3)cnc21)c1ccccc1 12071471 OJXCLHOFRQTJRR-FQEVSTJZSA-N 449.942 3.605 0 40 IHAB CC(C)[C@@H](N[C@H](C)C(=O)N1CCN(c2ccccc2)CC1)c1ccc2c(c1)OCCCO2 12606187 IDMYFKWBUNGMFA-CJFMBICVSA-N 437.584 3.872 0 40 IHAB O=C(CSc1nc(-c2ccncc2)n[nH]1)N1CCC[C@H](c2nc3ccccc3s2)C1 12862555 HBQHWEFTARHPMM-HNNXBMFYSA-N 436.566 3.975 0 40 IHAB COc1ccc(C)cc1[C@H](C)NC(=O)[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(C)C 12906269 SQLAJOYKOMHGMG-MGPUTAFESA-N 438.977 3.837 0 40 IHAB CC(C)n1nccc1NC(=O)[C@@H](C)Sc1ncnc2c1cnn2-c1ccc(F)cc1 13295760 YCYKFLKFOALMFD-CYBMUJFWSA-N 425.493 3.851 0 40 IHAB COc1ccccc1NC(=O)/C(=C\c1cccnc1)NC(=O)c1ccc(OC)c(OC)c1 13601743 QZWNSJCNZYXNPO-CPNJWEJPSA-N 433.464 3.517 0 40 IHAB COc1ccc(Cn2nnnc2S[C@@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 14198159 QMGJHEVYJQFQTR-HNNXBMFYSA-N 439.541 3.688 0 40 IHAB C[C@H](OC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)C(=O)NCC1CCCCC1 16044332 DCSIWMPMCOYART-KRWDZBQOSA-N 448.519 3.725 0 40 IHAB COc1cc(Br)c(CCNC(=O)/C=C/c2ccc3c(c2)OCO3)cc1OC 16172498 FSDVFHPEAPRMQM-GQCTYLIASA-N 434.286 3.567 0 40 IHAB COC(=O)c1ccc(NC(=O)Cn2nc(-c3ccccc3)n(-n3cccc3)c2=S)cc1 16777791 ZEDHUBFWWWWJGI-UHFFFAOYSA-N 433.493 3.619 0 40 IHAB CCOC(=O)c1ccc(NC(=O)Cc2csc(NC(=O)c3ccc(OC)cc3)n2)cc1 17306546 KQUCMHPNBKHIHV-UHFFFAOYSA-N 439.493 3.762 0 40 IHAB Cc1ccc(OCCCC(=O)N2CCC[C@@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)c(C)c1 19132780 KRQSVCMIUXHZRV-CEXWTWQISA-N 447.530 3.983 0 40 IHAB COc1ccc(C)cc1CN1C[C@@H](c2cc(=O)[nH]c(C)n2)[C@H](c2ccc(OC)c(OC)c2)C1 19133597 UBQQUHKCPCEENO-LEWJYISDSA-N 449.551 3.796 0 40 IHAB CCc1noc(C)c1C(=O)N1CCNC(=O)[C@@H](Cc2ccc(-c3cccc(C)c3)cc2)C1 19521245 RXEAJTRPXWBNOE-QFIPXVFZSA-N 431.536 3.952 0 40 IHAB CCCOc1ccccc1CN1CCC(O)(Cn2cnc3sc(C)c(C)c3c2=O)CC1 19525162 RILAJGTZSQRPJI-UHFFFAOYSA-N 441.597 3.891 0 40 IHAB CCNC(=O)[C@]1(Cc2ccccc2-c2cccc(C)c2)CCN(C(=O)c2cncc(N)c2)C1 19528975 AUELANQWTYPEBC-MHZLTWQESA-N 442.563 3.850 0 40 IHAB COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CCN(C(=O)c3ccccc3OC)C2)c1 19694713 IUSBXQCYROVGQI-GOSISDBHSA-N 432.524 3.857 0 40 IHAB Cc1cccn2cc(C(=O)N3CC[C@H](c4nc(N(C)C)ncc4-c4cccc(F)c4)C3)nc12 19695049 ASAVCYMFINGYAS-SFHVURJKSA-N 444.514 3.935 0 40 IHAB COc1cccc(C(=O)N2CCCC[C@@H]2c2nc(C)c3c(n2)N(CC2CC2)C(=O)CC3)c1 19740458 LPLKLICDLVOZBH-OAQYLSRUSA-N 434.540 3.850 0 40 IHAB Cc1nc([C@H]2CCCN(C(=O)c3cc(C(C)C)n[nH]3)C2)ncc1C(=O)NCc1ccccc1 19763497 ZPTYATBSKZZZBK-IBGZPJMESA-N 446.555 3.581 0 40 IHAB CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2ccc(CN3CCOCC3)cc2)cc1 20426533 QBORKAUJQJSHPY-UHFFFAOYSA-N 425.529 3.796 0 40 IHAB COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCc2ccccc2OC)C12CCCCC2 20739119 KUKUJDQPOPDXRA-QHCPKHFHSA-N 436.552 3.900 0 40 IHAB COc1ccc(C(=O)N(CCN2CCOCC2)c2nc3c(OC)ccc(C)c3s2)cc1 20743881 PEHGFMVOTGWCKE-UHFFFAOYSA-N 441.553 3.601 0 40 IHAB O=C(CN1CCN(Cc2nnc(-c3ccc(Cl)cc3)o2)CC1)Nc1ccccc1Cl 20804287 CCRSERSZYOTWIV-UHFFFAOYSA-N 446.338 3.800 0 40 IHAB Cc1ccc(C)c(NC(=O)[C@H](OC(=O)c2cccc(-n3cnnn3)c2)c2ccccc2)c1 21230000 MOCSOQSRIJUUHR-JOCHJYFZSA-N 427.464 3.816 0 40 IHAB O=S1(=O)CC[C@H](Cc2nnc(SCc3ncc(-c4ccc(Cl)cc4)o3)o2)C1 21624755 FKPBDNVBAXVVCY-LLVKDONJSA-N 425.919 3.648 0 40 IHAB Cc1ccc2nc(COC(=O)c3ccccc3C(=O)N(C)C3CCCCC3)cc(=O)n2c1 22035250 FRKZOTBTRPNJAJ-UHFFFAOYSA-N 433.508 3.765 0 40 IHAB COc1ccc([C@H](CC(=O)OC(C)C)NC(=O)c2cc(Cl)c3c(c2)OCCO3)cc1 22193782 NWCWLMRJOFXQDB-SFHVURJKSA-N 433.888 3.933 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(NCc2nc(-c3ccccc3OC)no2)ccc1C 22695987 HTTOYVCTUCMGSL-UHFFFAOYSA-N 430.530 3.696 0 40 IHAB Cc1nc2sc([C@H](c3cccs3)N3CCN(c4ccc(F)cc4)CC3)c(O)n2n1 23158272 XHXPYXGGKRCAIJ-KRWDZBQOSA-N 429.546 3.917 0 40 IHAB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)N(C)Cc1cnn(Cc2ccccc2)c1 24226258 TWPMAHYPZZBLQL-QFIPXVFZSA-N 440.494 3.623 0 40 IHAB Cc1ccccc1CSCCNC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 24606308 HMJBAFIFMDCMBF-UHFFFAOYSA-N 438.640 3.507 0 40 IHAB CCNS(=O)(=O)c1ccc(C(=O)N2CCc3sccc3[C@H]2c2ccccc2)cc1 25898404 CPZISKIRSLJRRS-OAQYLSRUSA-N 426.563 3.834 0 40 IHAB COc1ccc(N(C(=O)CCCl)[C@H](C(N)=O)c2ccc(Br)cc2)cc1 26895922 KOOCAQNVRRMICY-KRWDZBQOSA-N 425.710 3.646 0 40 IHAB O=C(NC[C@H](c1c(F)cccc1Cl)N1CCCC1)c1ccc(Cn2cncn2)cc1 31891543 DNKARJPKLGZDMY-HXUWFJFHSA-N 427.911 3.686 0 40 IHAB CC[C@@]1(C)Cc2nc3sc4c(=O)n(CC(=O)NC5CCCCC5)cnc4c3cc2CO1 32072655 IJWFTEWUVYXUPH-QHCPKHFHSA-N 440.569 3.697 0 40 IHAB O=C(Cc1nc(CN2c3cccc4cccc(c34)S2(=O)=O)cs1)NCc1ccccc1 32765454 JDAJUENFISMXAH-UHFFFAOYSA-N 449.557 3.864 0 40 IHAB COc1ccc(CN(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)C2CC2)cc1 40096828 FVDNCXODWCKPJX-UHFFFAOYSA-N 429.542 3.676 0 40 IHAB O=C(c1ccc(S(=O)(=O)NC2CC2)cc1)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 40115772 JYEXZWKKQONQDC-UHFFFAOYSA-N 439.512 3.677 0 40 IHAB Cc1ccc(C)c(Sc2cc(N3CCC(C(=O)NC[C@@H]4CCCO4)CC3)ncn2)c1 49402022 VHUREYKDJKUHEQ-IBGZPJMESA-N 426.586 3.756 0 40 IHAB COC(=O)CCN(Cc1ccccc1)Cn1nc(-c2cc(Cl)ccc2OC)nc1S 58341296 QIAKRNVYTOUZHB-UHFFFAOYSA-N 446.960 3.919 0 40 IHAB CCc1cccc(C)c1NC(=O)Cn1c(C)cc(C)c(S(=O)(=O)c2ccccc2)c1=O 67255217 CAUBSAKDEDJOMP-UHFFFAOYSA-N 438.549 3.807 0 40 IHAB COc1ccc(Br)c(C(=O)NC[C@@H](c2cn(C)c3ccccc23)N(C)C)c1 77171672 VNUCTGVAQAIDJY-FQEVSTJZSA-N 430.346 3.982 0 40 IHAB CN(C)Cc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)cc1F 79016087 QOAYWDDOYSEVCY-MRXNPFEDSA-N 437.437 3.893 0 40 IHAB Cc1cc(C(=O)NC2(c3noc(C4CCCC4)n3)CCCCCC2)ccc1-n1cnnn1 89591448 PFLZZKIAELKGIK-UHFFFAOYSA-N 435.532 3.991 0 40 IHAB Cc1cc2oc(=O)cc(-c3cc4c(CN5CCN(CCO)CC5)cnc(C)c4o3)c2cc1C 95472751 TYFMXNIWWRNENJ-UHFFFAOYSA-N 447.535 3.636 0 40 IHAB COc1cc2c(cc1OC)CN([C@H]1CC(=O)N(c3cccc(Cl)c3Cl)C1=O)CC2 96305304 AXSJGFSDLNTHCH-INIZCTEOSA-N 435.307 3.701 0 40 IHAB CCCOc1ccc(CN(CCC)C(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1OC 96437979 IJCABSHIDPGDTF-WOJBJXKFSA-N 444.572 3.788 0 40 IHAB CC(C)[C@H](NC(=O)C1(c2ccccc2)CC1)c1cc(O)n2nc(C3CCOCC3)cc2n1 100730028 LTZIWCHQDMJCRH-QHCPKHFHSA-N 434.540 3.874 0 40 IHAB CC(=O)N1CCc2ccccc2[C@H]1c1c(O)[nH]c(=S)n(-c2ccccc2Cl)c1=O 100915610 ZQEULIJFCFMBGP-SFHVURJKSA-N 427.913 3.748 0 40 IHAB C[C@H](C(=O)Nc1ccc(Cl)cc1F)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C 108990366 XZKZNCDDTGTCIB-ZIAGYGMSSA-N 446.910 3.502 0 40 IHAB CC(=O)NCc1ccc(C(=O)N[C@@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2)cc1 109057411 YLPWTGIUMKMOAR-OAQYLSRUSA-N 443.503 3.650 0 40 IHAB CCOC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(Br)cc1 113881127 SRIHKUKIHIEABI-UHFFFAOYSA-N 426.332 3.824 0 40 IHAB CC(=O)O[C@H]1C[C@@H]2CC[C@H]3[C@@H]4[C@@H](OC(C)=O)CC(=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)[C@H](OC(C)=O)C1 123374089 GJEJASFBAXHMOD-ZKWJZUMRSA-N 448.556 3.613 0 40 IHAB O=C(N[C@H]1CCCc2ccccc21)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 216303299 XFPGFCBSRBPSCG-DEOSSOPVSA-N 440.609 3.855 0 40 IHAB COc1ccc(OC)c(N([C@@H](C)C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)S(C)(=O)=O)c1 223479594 KJNMNOSBFMTMEA-ROUUACIJSA-N 448.585 3.661 0 40 IHAB COc1cccc(-c2noc(CNS(=O)(=O)c3ccc(OC)c(Cl)c3Cl)n2)c1 223758124 KPZCEOVDCQKODI-UHFFFAOYSA-N 444.296 3.539 0 40 IHAB Cc1ccc(OCCNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc1C 224027134 IUNQLHSMDMNPPC-UHFFFAOYSA-N 436.961 3.550 0 40 IHAB CCOc1ccccc1N(CCCC(=O)NCCc1ccc(Cl)cc1)S(C)(=O)=O 224697974 JUKQBHLUNSUHAJ-UHFFFAOYSA-N 438.977 3.644 0 40 IHAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2C)cc1NC(C)=O 225315609 MQNXNWNUEZAWOZ-FGZHOGPDSA-N 435.553 3.873 0 40 IHAB Cn1cc(CN2CCC[C@H]([C@@H](NC(=O)[C@H]3CCCO3)c3ccccn3)C2)c2ccccc21 248085949 BJNYRELVDANSQB-QTLGCAHFSA-N 432.568 3.822 0 40 IHAB COc1ccc(C(=O)N2CCC[C@](C)(c3cc(N)nc(C)n3)C2)cc1OCc1ccccn1 257204732 AWBHGDXSQOXYTI-VWLOTQADSA-N 447.539 3.544 0 40 IHAB CC(C)n1nccc1[C@@H]1CN(Cc2ccccn2)C[C@]12CCCN(Cc1ccccn1)C2=O 306124993 CEBXKUOJKYZGMP-JYFHCDHNSA-N 444.583 3.662 0 40 IHAB CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 408598347 ZFVIZMIPYQMLGR-VIFPVBQESA-N 437.732 3.961 0 40 IHAB COc1ccccc1NC(=O)CCC(=O)OCC(=O)Nc1ccc(Br)cc1C 408660653 BQQFQZYOPUEYSH-UHFFFAOYSA-N 449.301 3.667 0 40 IHAB CCc1ccccc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@@H]3CC=C[C@H](C)[C@H]3C2=O)cc1 408662120 MWSHROCVOYHJKN-LERMDLETSA-N 446.503 3.746 0 40 IHAB Nn1c(COc2ccccc2)nnc1SCC(=O)n1c2c(c3ccccc31)CCCC2 409205466 NGHCJDVKSCRHTB-UHFFFAOYSA-N 433.537 3.837 0 40 IHAB O=C(c1cc(-c2ccccc2)on1)N1CC[C@H](c2ccccc2Cl)S(=O)(=O)CC1 575414935 RHMOXJMKSBTHEH-HXUWFJFHSA-N 430.913 3.997 0 40 IHAB CCCCOc1ccc(CONS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1Cl 2363166 SHNFSOVUWRZDMY-UHFFFAOYSA-N 426.922 3.887 0 40 IHAB O=C(Cc1c(Cl)cccc1Cl)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 2659406 ZEPGGJQTELPHKI-UHFFFAOYSA-N 437.308 3.765 0 40 IHAB CCn1cc(NC(=O)c2ccc(Cn3cc(Cl)cn3)cc2)c(C(=O)NC2CCCC2)n1 2728483 DVXOLXTXQSOMPC-UHFFFAOYSA-N 440.935 3.726 0 40 IHAB Cc1nc(Cc2nnc(SCc3nc(N)nc(Nc4ccccc4C)n3)o2)cs1 3435388 MTCKJVGBXMIOSA-UHFFFAOYSA-N 426.531 3.537 0 40 IHAB COc1cc(CC(=O)Nc2cc(Cl)ccc2Sc2nncn2C)cc(OC)c1OC 3449651 ROWGAONPHIJSJI-UHFFFAOYSA-N 448.932 3.827 0 40 IHAB Cc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@H]4C3=O)c2)cc1C 8449897 KJQNDTHWFBSZHD-SGNKAXLRSA-N 431.488 3.879 0 40 IHAB Cc1cc2oc(=O)cc(CSc3nn4c(=O)c(C(C)(C)C)nnc4s3)c2cc1C 9174324 YSZRUACQAPSNOP-UHFFFAOYSA-N 428.539 3.859 0 40 IHAB CCc1nnc(NC(=O)CSc2nnc(COc3ccc(C)cc3C)n2CC)s1 9263852 DZILRPIEAVYKPY-UHFFFAOYSA-N 432.575 3.639 0 40 IHAB CC1=Nc2ccccc2N=C(NC(=O)CSc2nnnn2C)[C@H]1c1ccc(Cl)cc1 9306388 UIERIAHGPKTDPU-GOSISDBHSA-N 439.932 3.692 0 40 IHAB CCCC1=C(C(=O)OCC)S[C@@]2(SC(C(=O)OC)=NN2c2ccc(C)cc2)N1C 9430996 QFSYFKGZXAXNGM-HXUWFJFHSA-N 435.571 3.899 0 40 IHAB CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2CCOC)cc1 9934042 SJZGBNGXUYVZAY-NRFANRHFSA-N 439.512 3.596 0 40 IHAB Cc1cc(C(=O)CSc2nnc(Nc3ccc(F)cc3)s2)c(C)n1-c1nnc[nH]1 10028708 MTXNVEKLLBWEDG-UHFFFAOYSA-N 429.506 3.921 0 40 IHAB O=C(Nc1ccc(Cl)c2ncsc12)[C@H]1CCCN1S(=O)(=O)c1cccs1 10337220 ABTUZGHLOHNYFJ-GFCCVEGCSA-N 427.960 3.803 0 40 IHAB CCCc1ccc(NC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1 11225938 JQQITTSACKOFIN-UHFFFAOYSA-N 432.450 3.951 0 40 IHAB COc1cccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCN(C)C)c1OC 11614661 DNPAJIITEWMKKT-IBGZPJMESA-N 442.899 3.570 0 40 IHAB COc1cc(/C=c2/sc3nc4cc(C)c(C)cc4n3c2=O)cc(Br)c1O 12446777 LOCNOJNUJYHWFV-LZYBPNLTSA-N 431.311 3.550 0 40 IHAB COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1OC 12557297 YHRMGCSGMWYPBM-VOTSOKGWSA-N 431.388 3.621 0 40 IHAB COc1ccccc1-c1cc([C@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)C2CCCCC2)n(C)n1 12601977 FDRVQVYFEKHQJJ-VWPQPMDRSA-N 436.600 3.970 0 40 IHAB biogenic,in-vitro CC(=O)Nc1cccc(NC(=O)[C@H](NC(=O)c2ccc(Br)cc2)C(C)C)c1 12769359 YSNHMFVXVWSMCV-GOSISDBHSA-N 432.318 3.801 0 40 IHAB COc1cc2oc(=O)c(CC(=O)N[C@H](C)Cc3c[nH]c4ccccc34)c(C)c2cc1OC 12901250 KELWFJIPKIUZKG-CQSZACIVSA-N 434.492 3.890 0 40 IHAB biogenic COc1ccc(S(=O)(=O)N2CCN(C(=O)c3sccc3-c3ccccc3)CC2)cc1 12937475 XRSRKSMVSYPSHJ-UHFFFAOYSA-N 442.562 3.570 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc(-c4ccccc4F)o3)CC2)c1 12980685 PCQOYCNTVQSKRQ-UHFFFAOYSA-N 442.512 3.849 0 40 IHAB O=C(CN1CCN(C(=O)C2(c3ccc(Cl)cc3)CCC2)CC1)Nc1cccc(F)c1 13102542 ULVYNFLGKZTPIK-UHFFFAOYSA-N 429.923 3.684 0 40 IHAB CC(C)[C@H](C(=O)N1CCc2cc3c(cc2[C@@H]1C)OCCCO3)N1C(=O)c2ccccc2C1=O 13592411 IYGAZHAPPDUUDM-QMHKHESXSA-N 448.519 3.614 0 40 IHAB O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)C(=O)N[C@H](CO)Cc1ccccc1 13684729 FZQVVYZYQSOFLE-IBGZPJMESA-N 431.517 3.622 0 40 IHAB CC[C@@H](C(=O)Nc1ccccc1C(=O)NC(C)C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13686524 ATQDXMGASMXBGG-NRFANRHFSA-N 445.585 3.625 0 40 IHAB CCn1c(CC(=O)Nc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(F)cc1 13955757 ZHXLKFGEUHBVDG-UHFFFAOYSA-N 427.505 3.658 0 40 IHAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 14231519 YMSYZINMNPTWTR-WMZHIEFXSA-N 430.552 3.774 0 40 IHAB O=C(Cn1cnc2ccccc2c1=O)N(Cc1ccccc1)c1nc2c(s1)CCCC2 14629454 LKGRNVPXQWWWNS-UHFFFAOYSA-N 430.533 3.965 0 40 IHAB CCn1c(=O)c2c(C(F)(F)F)cc(-c3cccnc3)nc2n(Cc2ccccc2)c1=O 16050729 YKLKKVKKIVRZQF-UHFFFAOYSA-N 426.398 3.707 0 40 IHAB CC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)cc1 16320881 UNGAFOMVDMSBEF-UHFFFAOYSA-N 441.365 3.953 0 40 IHAB Cc1cc(C)cc(NC(=O)COc2cccc3ccc(N4CCC(C(N)=O)CC4)nc23)c1 17010596 FYUGQCOIMJTJFR-UHFFFAOYSA-N 432.524 3.571 0 40 IHAB COc1ccc(OC)c([C@H]2S[C@H](C)C(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)c1 17197827 YJRHKCGDMIEMAF-IQMFZBJNSA-N 439.537 3.669 0 40 IHAB CN(C)c1ncccc1CN[C@@H](Cc1cc(O)nc(-c2ccccn2)n1)c1ccccc1 19584158 OYTFJFMYDWWZPW-QFIPXVFZSA-N 426.524 3.779 0 40 IHAB CC[C@H](c1ccc(F)cc1)N(C)C(=O)Cn1cccc(C(=O)Nc2ccc(F)cc2)c1=O 19750576 CUQUKARIGSCWGO-OAQYLSRUSA-N 439.462 3.989 0 40 IHAB CCN(CC)C(=O)c1cnc([C@H]2CCCCN2C(=O)CCn2cnc3ccccc32)nc1C 19765520 CUXVFOAGLWQWFM-JOCHJYFZSA-N 448.571 3.761 0 40 IHAB COc1ccccc1N(CC(=O)N[C@H](c1ccccc1)c1ccccc1C)S(C)(=O)=O 19932401 HGIZQWWDCMLKNR-XMMPIXPASA-N 438.549 3.675 0 40 IHAB CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(C)cc2)cc1 22271318 CFHZCTUXRFQNNA-HSZRJFAPSA-N 438.549 3.922 0 40 IHAB CC[C@H](NC(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O)c1ccc(C)c(C)c1 22338162 QDLSGXSKTYJOHZ-IBGZPJMESA-N 438.977 3.999 0 40 IHAB CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)N[C@H](C)c2cccc(Cl)c2)cc1 23184834 FZNBGOPVUFIHLF-OAHLLOKOSA-N 436.961 3.821 0 40 IHAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)Cc1ccc(Br)s1 23637706 MKFZRWAVNLMPFF-KRWDZBQOSA-N 434.359 3.698 0 40 IHAB O=C(Cn1c(=O)oc2ccccc21)N1CCN(C(c2ccccc2)c2ccccc2)CC1 23907594 ARYGCMBMOGBXLH-UHFFFAOYSA-N 427.504 3.528 0 40 IHAB O=C1CCc2cc(S(=O)(=O)Nc3ccccc3C(=O)Nc3cccc(F)c3)ccc2N1 25045963 RCPVAZTVWSQEMZ-UHFFFAOYSA-N 439.468 3.764 0 40 IHAB O=C(NCc1ccnc(N2CCOCC2)c1)c1ccccc1C(=O)c1ccc(Cl)cc1 25291461 BWDWAJPGRBKVTD-UHFFFAOYSA-N 435.911 3.733 0 40 IHAB CCN(CC(=O)Nc1cc(Cl)ccc1C)c1ccc(S(=O)(=O)N(CC)CC)cn1 25686536 HCOOEHZMZHCUOR-UHFFFAOYSA-N 438.981 3.539 0 40 IHAB CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCC(c2nnc3ccccn23)CC1 28736147 IUYDDUJVJXADFR-HXUWFJFHSA-N 439.947 3.543 0 40 IHAB CCn1c(CCNC(=O)c2ccccc2F)nnc1SCC(=O)c1ccc(F)cc1 32579304 LEUZMTVWWFOUIR-UHFFFAOYSA-N 430.480 3.524 0 40 IHAB O=S(=O)(NCCCOc1ccccc1)c1cc(Br)ccc1Br 32811128 LXMWYWRVZVAQID-UHFFFAOYSA-N 449.164 3.959 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NCCN3CCC[C@H](C)C3)cc2)c1 32931458 IIENPDMEMXZVOY-SFHVURJKSA-N 429.586 3.566 0 40 IHAB COc1ccc2[nH]c3c(SCC(=O)N4CCN(c5ccccc5)CC4)ncnc3c2c1 33298755 QZOGWGUNFISFLM-UHFFFAOYSA-N 433.537 3.561 0 40 IHAB CC(=O)Nc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccccc2Cl)nc1O 35377898 PBLQFFRHQQGLOL-NSHDSACASA-N 443.916 3.975 0 40 IHAB COc1ccc(CCN2CN(c3ccc(F)cc3)c3nc(C)c(C)c(=O)n3C2)cc1OC 36125653 VCYKIYBNWJERLU-UHFFFAOYSA-N 438.503 3.628 0 40 IHAB CCOc1cc2c(cc1CNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccco1)O[C@@H](C)C2 39981629 LDSIEGNOAQVYSO-LAUBAEHRSA-N 448.519 3.659 0 40 IHAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 44948838 YHFJRJQJILVFSX-HXUWFJFHSA-N 446.569 3.974 0 40 IHAB CCNC(=O)COc1ccc([C@H]2[C@H](Oc3ccccc3)C(=O)N2CCC(C)C)cc1OC 48311584 QIRYTFGFDBOMRA-ZEQRLZLVSA-N 440.540 3.587 0 40 IHAB O=C(Nc1ccccc1)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccc(F)cc2)cc1 67896597 PDMHSFMEFIYTHK-ISKFKSNPSA-N 449.482 3.931 0 40 IHAB biogenic,in-vitro C[C@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@]4(O)[C@@H](C[C@H]5[C@H]4C[C@H](O)[C@H]4C[C@H](O)CC[C@@]45C)[C@@H]3CN2C1 70688115 NQGYOUYEGZOZBN-PMVNFQONSA-N 431.661 3.678 0 40 IHAB biogenic CC(C)Cn1c(=O)c2sccc2n2c(CCC(=O)Nc3ccc(F)cc3F)nnc12 71328610 QVVLFDJLZSNLRA-UHFFFAOYSA-N 431.468 3.611 0 40 IHAB Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)N[C@H](c2nnc3ccccn23)C(C)C)c1 72310115 GNSFFPOBRIKEIQ-IBGZPJMESA-N 435.557 3.862 0 40 IHAB COc1ccccc1C(=O)N1CCC[C@@](Cc2cc(-c3ccccc3)no2)(C(=O)N(C)C)C1 72395990 FSULBIDZCRXDCP-SANMLTNESA-N 447.535 3.904 0 40 IHAB Cc1ccc2[nH]c([C@H]3CCCN(C(=O)CCn4nnnc4C)C3)c(-c3ccncc3)c2c1 72396843 RAHKHBYYTHDWHV-IBGZPJMESA-N 429.528 3.630 0 40 IHAB Cc1ccc(-n2nc(C(=O)N3C[C@@H]4CN(Cc5ccccc5)C[C@@H]4C3)c3c2CCC3)cc1 79049300 COZINAYGNSPPSM-SZPZYZBQSA-N 426.564 3.873 0 40 IHAB COc1cc2c3cnn(Cc4ccc(OC(F)(F)F)cc4)c(=O)c3n(C)c2cc1OC 79492488 ZIKXYLPPHNGWDD-UHFFFAOYSA-N 433.386 3.852 0 40 IHAB O=S(=O)(c1cccs1)N1CCCN(c2nc(C(F)(F)F)nc3ccccc23)CC1 95948968 XUTMHHUJBVMTRH-UHFFFAOYSA-N 442.488 3.611 0 40 IHAB C[C@@H](NC(=O)C1CCN(C(=O)CCc2ccccc2)CC1)[C@@H](O)c1ccc(Cl)cc1 95972136 BOPIVHZRDNIXGN-UZUQRXQVSA-N 428.960 3.750 0 40 IHAB CC(C)S(=O)(=O)c1ccc(CC(=O)Nc2ccccc2Cc2nc(C3CC3)no2)cc1 96119602 RZJPTXVHYOYQCC-UHFFFAOYSA-N 439.537 3.901 0 40 IHAB COc1cccc(CCNC(=O)c2nc3c(n2C(C)C)CCN(C(=O)c2ccccc2)C3)c1 96147142 FIVGDQHVEDPBDG-UHFFFAOYSA-N 446.551 3.644 0 40 IHAB COc1ccc(S(=O)(=O)CCNC(=O)CCc2cn(C(C)C)c3ccccc23)cc1 96231281 SUKUCBQZMUFIAT-UHFFFAOYSA-N 428.554 3.754 0 40 IHAB O=C1C[C@H](N2CCN=C2C2=C(O)/C(=C\c3ccccc3)CC2)C(=O)N1c1cccc(F)c1 96905148 RVEYVSZQUHFGBE-YULVEUEDSA-N 431.467 3.861 0 40 IHAB O=C(NC[C@H]1CC[C@H](c2cc(C(=O)N3CCOCC3)c3ccccc3n2)CC1)C1CCC1 100659639 KYXWNHGEFQEMOI-KDURUIRLSA-N 435.568 3.897 0 40 IHAB CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]12 101152077 WIDOYZJXGXJVAM-FUHWJXTLSA-N 446.290 3.599 0 40 IHAB CC(C)COC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OCC(C)C)[C@@H]1c1ccc(Cl)cc1 102700049 PCHLMRSRHSVUTR-ISHFTEKXSA-N 438.948 3.778 0 40 IHAB O=C(/N=c1\c2c3c(sc2nc2n1CCCCC2)CCCC3)[C@H]1COc2ccccc2O1 103454027 RPJBLZPSRUHYQZ-CUBIIZMHSA-N 435.549 3.970 0 40 IHAB Cc1ccccc1C(=O)N1CCC(C(=O)O[C@H](C)C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)CC1 104731260 NHMVATQGINAGPQ-YJMSJCLFSA-N 440.584 3.720 0 40 IHAB CC[C@H](C(=O)N[C@H](C)COc1ccc(C)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 219094434 UDWSZILSRSBRCR-OXQOHEQNSA-N 438.977 3.777 0 40 IHAB CC[C@@H](C(=O)NCc1ccc(OC(C)C)c(OC)c1)N(c1cccc(C)c1)S(C)(=O)=O 220514722 FZLKOIFHNOAABI-FQEVSTJZSA-N 448.585 3.652 0 40 IHAB CC(C)Oc1cccc(CCCNC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)c1 222502278 KCGNYWGOUKGZCM-UHFFFAOYSA-N 438.977 3.886 0 40 IHAB COc1ccc(CN(C(=O)COc2ccccc2)[C@H](C)C(=O)NCc2ccccc2)cc1 223000261 LXHCKDGLSVRMDR-HXUWFJFHSA-N 432.520 3.808 0 40 IHAB CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)COc1cccc(C)c1 223030434 RCZHOWVUVITHJO-MRXNPFEDSA-N 433.346 3.690 0 40 IHAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NCc3ccc(C)cc3)cc2)cc1 224438228 MJVWZSSGVXUGRN-UHFFFAOYSA-N 438.549 3.754 0 40 IHAB C[C@@H]1Cc2ccccc2N1C(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1 226026664 NMELIULMMHXRGW-GOSISDBHSA-N 438.524 3.994 0 40 IHAB O=C(COc1nn(-c2ccccc2)cc1Br)NCCCc1ccccc1F 227151713 PLIZRDXTVSHNFK-UHFFFAOYSA-N 432.293 3.902 0 40 IHAB CNc1cc(C(=O)N2CCC(Cc3ccccc3-c3cccs3)(C(N)=O)CC2)ccn1 257264622 LVINQJOQNTUUNO-UHFFFAOYSA-N 434.565 3.802 0 40 IHAB Cc1cc(C)nc(Nc2ccc([C@@H]3CN(C(=O)c4ccc5ncccc5c4)CCO3)nc2)n1 257337858 YUSOWWZOMNFXPG-QHCPKHFHSA-N 440.507 3.994 0 40 IHAB COc1ccc(C)cc1N([C@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)S(C)(=O)=O 260914844 BSIGLBBFHOOURX-ZWKOTPCHSA-N 444.597 3.914 0 40 IHAB Cc1nc(CN2CC[C@@]3(CN(C(=O)CC(C)C)C[C@H]3c3cn(C(C)C)cn3)C2=O)cs1 306143911 YQPAWPGVGKSCJE-CVDCTZTESA-N 443.617 3.620 0 40 IHAB Cc1nc(C(=O)N2C[C@@H]3c4cc(-c5ccc(F)cc5)ccc4S(=O)(=O)[C@@H]3C2)cs1 306144631 ZKKJEXUDNYJCSN-YLJYHZDGSA-N 428.510 3.653 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CNC(=O)c2ccc(COc3ccccc3C)o2)cc1 408560936 FVCFXNVCJWZIQL-UHFFFAOYSA-N 436.464 3.712 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1C 408589799 FPGHIBUGWZPVBQ-UHFFFAOYSA-N 428.476 3.923 0 40 IHAB COc1ccc(/C=C2/SC(=O)N(CC(=O)OCC(C)C)C2=O)cc1Br 409199905 FOCZBOVRDCPLEE-VGOFMYFVSA-N 428.304 3.693 0 40 IHAB O=C(NCCC(=O)N1CC[C@](O)(Cc2cccc(Cl)c2)C1)c1ccc2ccccc2c1 501705506 TXWOFKLRGRJMGB-VWLOTQADSA-N 436.939 3.819 0 40 IHAB C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)NCCCc1nc2ccccc2[nH]1 523153552 OQTJINYDORFYCH-GOSISDBHSA-N 448.571 3.812 0 40 IHAB COc1ccc([C@@H](CNC(=O)COc2cn(C)c(C)cc2=O)c2c[nH]c3ccccc23)cc1 524734656 ZFVMWHUMJDMKNR-OAQYLSRUSA-N 445.519 3.511 0 40 IHAB Cc1nn(CCNS(=O)(=O)c2ccc(Br)s2)c(C)c1-c1ccco1 575616188 XRXGAWDBXLMGGT-UHFFFAOYSA-N 430.349 3.562 0 40 IHAB CC(C)Cn1nc(C(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)c2ccccc2c1=O 620489229 HQXOEYCMZJBMNY-INIZCTEOSA-N 440.494 3.587 0 40 IHAB CSCC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2ccc(=O)oc2c1 2094094 QEYMZICNDBICLO-SFHVURJKSA-N 427.478 3.747 0 40 IHAB biogenic CCOC(=O)c1cccc(-n2c(N)c(C(=O)NCC(C)C)c3nc4ccccc4nc32)c1 2250853 QTSRTLCJXIHTPB-UHFFFAOYSA-N 431.496 3.718 0 40 IHAB C[C@@H](C(=O)N(C)Cc1ccccc1)N1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 2641365 JPBKBZZCVYUFSR-IBGZPJMESA-N 427.504 3.529 0 40 IHAB COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccccc3)c(=O)c2[C@H]1c1ccccc1Cl 2710067 KCJFPFIWGVSXHC-LJQANCHMSA-N 436.895 3.726 0 40 IHAB O=C(NCc1ccc(Cl)cc1)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12 3015364 IIQYIDUQEMFMNS-UHFFFAOYSA-N 437.927 3.806 0 40 IHAB CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)c1cc(C)n(C[C@@H]2CCCO2)c1C 3310318 APKHKDQJAXLKHB-KRWDZBQOSA-N 432.542 3.960 0 40 IHAB CCCC[C@H](CC)CNC(=O)c1ccc2c(=O)n(Cc3ccc(OC)cc3)c(=O)[nH]c2c1 4791493 NVDXIALPFYFQHO-KRWDZBQOSA-N 437.540 3.693 0 40 IHAB CCC(=O)c1ccc(OCC(=O)OCC(=O)c2cc(C)n(C[C@H]3CCCO3)c2C)cc1 6029049 KYELXBVABWUHRH-HXUWFJFHSA-N 427.497 3.682 0 40 IHAB Cc1ccc2cc([C@H](c3nnnn3Cc3ccccc3)N3CCCCC3)c(=O)[nH]c2c1C 6442594 IHZOCIAXHQAMBL-HSZRJFAPSA-N 428.540 3.755 0 40 IHAB COCCCNC(=S)N(Cc1ccc(OC)cc1)Cc1cc2cccc(C)c2[nH]c1=O 6443495 HLQXOJZYTLARJS-UHFFFAOYSA-N 439.581 3.758 0 40 IHAB COc1cccc(C(=O)Nc2cccc(C(=O)OCc3cc(=O)n4c(C)csc4n3)c2)c1 8606992 GTBFVFDWMHCHGU-UHFFFAOYSA-N 449.488 3.682 0 40 IHAB Cc1cccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccccc3C(F)(F)F)CC2=O)c1C 9231907 QTYDFTBXUISTHA-HNNXBMFYSA-N 434.414 3.857 0 40 IHAB Cc1ccc2c(c1)[C@@H]1CC(c3ccc(Cl)cc3)=NN1C1(CCN(S(C)(=O)=O)CC1)O2 9235193 QGPVRFVUVNGNFN-FQEVSTJZSA-N 445.972 3.944 0 40 IHAB Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(C)c(C)c3)n(C)c2=O)c1 9282555 BLPZKBFNQVSWOL-UHFFFAOYSA-N 443.551 3.720 0 40 IHAB COc1ccc2nc(NC(=O)[C@H](NS(=O)(=O)/C=C/c3ccccc3)C(C)C)sc2c1 9316345 YCYYHTOFTPVCHL-TZZQJPOUSA-N 445.566 3.858 0 40 IHAB CNC(=O)NC(=O)[C@@H](C)Sc1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)C 9509643 CZUSXVRMTMHMKE-SNVBAGLBSA-N 430.361 3.844 0 40 IHAB O=C(Nc1ccc2c(c1)OCCCO2)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 9824323 FHTVZQFAKXXFPE-UHFFFAOYSA-N 430.526 3.665 0 40 IHAB Cc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccccc3)c3ccccc3c2=O)cc1 9856741 ITOYNFONZTXTHJ-UHFFFAOYSA-N 432.501 3.781 0 40 IHAB COc1ccc(C(=O)NCC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)cc1OC 10291961 LZVIBIFFMKZANQ-NRFANRHFSA-N 428.485 3.540 0 40 IHAB COc1ccc(Cc2nnc(SCC(=O)Nc3cccc(Cl)c3Cl)n2N)cc1 10921714 IDMLXWSXIOIWJE-UHFFFAOYSA-N 438.340 3.629 0 40 IHAB Cc1ccccc1-n1cnnc1SCCS(=O)(=O)c1ccc(Br)cc1 11287429 HAWXDAOERXRHRF-UHFFFAOYSA-N 438.372 3.904 0 40 IHAB C[C@@H](C(=O)Nc1ccc(Br)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 12364855 QBYXNSNDXPZKOC-NSHDSACASA-N 431.739 3.896 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)Cc2cccc(OC)c2)c1 12523383 QPRJDNPGESIZNL-UHFFFAOYSA-N 445.585 3.507 0 40 IHAB O=C1N[C@](Cc2ccccc2)(c2ccccc2)C(=O)N1CC(=O)N1CCCc2ccccc21 12568762 YVOYSUKCQQFJLS-HHHXNRCGSA-N 439.515 3.656 0 40 IHAB Cc1cccc(-n2ccnc2SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 12627554 AZRILKHVAHHHCR-UHFFFAOYSA-N 433.537 3.709 0 40 IHAB Cc1cccc(NC(=O)CN(C)C(=O)Cn2c(S)nnc2-c2ccc(Cl)cc2)c1C 12763898 MZCFVWSOJHBVCA-UHFFFAOYSA-N 443.960 3.601 0 40 IHAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)Cc2cccc(C(F)(F)F)c2)CC1 12989764 KASSUXAEBZOJGA-UHFFFAOYSA-N 433.474 3.648 0 40 IHAB C[C@H](C(=O)O)n1c(S[C@H](C(=O)NC2CC2)c2ccc(F)cc2)nnc1-c1cccs1 13009612 SWNPJEBILKGFCT-BZNIZROVSA-N 446.529 3.903 0 40 IHAB Cc1cc(C)c2c(-c3ccccc3)nc(SCC(=O)NC(=O)NCc3ccco3)n2n1 13015439 XFPMVAYDTNIHGX-UHFFFAOYSA-N 435.509 3.724 0 40 IHAB CCCn1c(CCC(=O)Nc2nccs2)nc2cc(S(=O)(=O)N(CC)CC)ccc21 13039774 GSPYFEABDYWPOM-UHFFFAOYSA-N 449.602 3.505 0 40 IHAB COc1ccc(C(=O)NCCC2=CCCCC2)cc1S(=O)(=O)NCCc1ccccc1 13581740 INHHGOOTPCTUAW-UHFFFAOYSA-N 442.581 3.837 0 40 IHAB CCn1c(SCC(=O)Nc2nncs2)nnc1[C@H](C)Oc1ccc(F)cc1Cl 13875717 ZYHDUSJXJLDWJX-VIFPVBQESA-N 442.929 3.813 0 40 IHAB CC(C)n1ncc2cc(NC(=O)c3cccc(S(=O)(=O)NCc4ccccc4)c3)cnc21 14129097 IOPACTZYGOFRMC-UHFFFAOYSA-N 449.536 3.743 0 40 IHAB O=C(Nc1cccc2ccccc12)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 14197474 HPVRBTGAFPWJNK-UHFFFAOYSA-N 431.464 3.656 0 40 IHAB CCc1ccc(CN(C)Cn2nc3ccc(S(=O)(=O)N(CC)CC)cn3c2=S)cc1 14201599 HPNLNFKFTNKXGC-UHFFFAOYSA-N 447.630 3.548 0 40 IHAB CCCN1CCN(C(=O)c2ccnn2C)C[C@@H](Cc2cccc(-c3ccccc3)c2)C1=O 19503007 UWDDDCOUHQBKBJ-HSZRJFAPSA-N 430.552 3.640 0 40 IHAB CCN1CCN(C(=O)c2cnn(C)c2C)C[C@H](Cc2cccc(-c3ccc(F)cc3)c2)C1=O 19527475 XJWWCBVDSYRAGU-QFIPXVFZSA-N 448.542 3.698 0 40 IHAB CCNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)Cc2cccnc2)C1 19528555 CPMAMZCTDFERHN-MHZLTWQESA-N 442.563 3.674 0 40 IHAB CCNC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CCCN(C(=O)Cc2cccnc2)C1 19528556 KVMBUNODWATJQT-HHHXNRCGSA-N 442.563 3.674 0 40 IHAB CN(C)C(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)c2ccccc2)CCO1 19580701 WBXSIECVZFQUHD-VWLOTQADSA-N 434.561 3.957 0 40 IHAB CSCC[C@@H](NC(=O)c1c(C)oc2c1CCCC2)c1cc(=O)[nH]c(-c2ccccn2)n1 19581321 DGQLKUCYTRIHKY-MRXNPFEDSA-N 438.553 3.836 0 40 IHAB Cc1nc([C@H]2CCN(C(=O)C3CCC3)C2)nc2c1CCC(=O)N2CCCc1ccccc1 19696251 LDYWIZPYWBKGGF-NRFANRHFSA-N 432.568 3.813 0 40 IHAB Cc1ccc(S(=O)(=O)N2[C@H](Cc3ccccc3F)C[C@@H]3NC(=O)CCCC[C@H]32)cc1C 19712128 KXPXLJZBUGNCKA-WTIAFYNJSA-N 444.572 3.876 0 40 IHAB CNc1ncccc1CN1CCC(c2ncc(C(=O)Nc3ccc(OC)cc3)c(C)n2)CC1 19763841 VQWASABXPAQBGP-UHFFFAOYSA-N 446.555 3.862 0 40 IHAB Cc1nc(C2CCN(S(=O)(=O)c3ccccc3)CC2)ncc1C(=O)Nc1ccccc1 19764233 ZYPMBZNXVAGNGF-UHFFFAOYSA-N 436.537 3.606 0 40 IHAB O=C(NC(=S)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1ccc2c(c1)OCO2 20152504 FWSIIRMEROVSGY-UHFFFAOYSA-N 430.869 3.948 0 40 IHAB C[C@H]1Cc2cc(C(=O)NCCc3ccccc3)ccc2N1S(=O)(=O)c1ccc(F)cc1 20449389 JGCJQMIHASMSGR-KRWDZBQOSA-N 438.524 3.938 0 40 IHAB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1cccs1)N1CCc2ccccc2C1 22383863 WAXHQLSDVJNIAH-UHFFFAOYSA-N 430.526 3.667 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3nc(C(C)(C)C)cs3)C2)s1 22691787 SKSUSEKHIAJHHD-CYBMUJFWSA-N 427.617 3.850 0 40 IHAB Clc1ccc([C@H](c2nnnn2Cc2ccco2)N2CCN(Cc3ccccc3)CC2)cc1 22929576 BLPMUDVXWFRKAI-HSZRJFAPSA-N 448.958 3.875 0 40 IHAB COc1ccc(OCCN2CCN(C(=O)c3cc(C4CC4)nn3-c3ccccc3)CC2)cc1 23882755 ADIWIUDINKDELK-UHFFFAOYSA-N 446.551 3.595 0 40 IHAB COc1ccc(/C=C/C(=O)N2CCN([C@@H](C)c3nc(-c4ccc(C)cc4)no3)CC2)cc1 24881240 LAXOOHJCLONUGC-CWRQFWGNSA-N 432.524 3.972 0 40 IHAB O=C(Nc1cccc(Cn2ccnc2)c1)c1cccc(NS(=O)(=O)c2ccccc2)c1 25171055 XUZCDFWZUFWJRR-UHFFFAOYSA-N 432.505 3.985 0 40 IHAB CN(C)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Cl)c1 28207950 TZKAHKOJPPTWEG-UHFFFAOYSA-N 437.732 3.915 0 40 IHAB O=C1CCC(=O)N1Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1 28254994 DDKILIIJTITMDG-UHFFFAOYSA-N 446.834 3.809 0 40 IHAB CC(C)c1ccc(-c2nc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)cs2)cc1 29507842 JFUVEQUOBHAYHB-UHFFFAOYSA-N 429.567 3.553 0 40 IHAB COCC(=O)Nc1ccc(NC(=O)Cc2csc(COc3ccc(C)cc3)n2)cc1 31139756 SJMRKNCGHKJGNR-UHFFFAOYSA-N 425.510 3.797 0 40 IHAB Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)N(Cc1ccc3c(c1)OCO3)C1CCCC1)C2=O 32731042 DWRQQARYYRIRDE-INIZCTEOSA-N 434.492 3.680 0 40 IHAB CCCCN(C(=O)Cc1cc(OC)c(OC)c(OC)c1)c1ccc(N2CCOCC2)cc1 40146268 XYKHRQHZKWHZSN-UHFFFAOYSA-N 442.556 3.925 0 40 IHAB COc1ccccc1N1C[C@@H](c2nc3ccccc3n2CC(=O)N2CCCCCC2)CC1=O 40253383 ZZEZTXPWUGYLKU-IBGZPJMESA-N 446.551 3.968 0 40 IHAB CCc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(Nc3cccc(Cl)c3)[nH]c(=O)c21 40399356 HKWLDHMVQVGINA-HNNXBMFYSA-N 437.887 3.794 0 40 IHAB COc1ccccc1CNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 44792317 AOCHOVJTQSOYIQ-UHFFFAOYSA-N 444.940 3.860 0 40 IHAB Cc1csc([C@](O)(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)C(F)(F)F)n1 48313248 LVGVLAXBFYXFCC-AUUYWEPGSA-N 442.459 3.726 0 40 IHAB Cc1cc(C)cc(-n2c(=O)c3sccc3n(CC(=O)N3CCCc4ccccc43)c2=O)c1 57492073 JHFAYVKTAYESOH-UHFFFAOYSA-N 445.544 3.810 0 40 IHAB CCN(CC)[C@@H](CNC(=O)CCc1nc2ccccc2c(=O)n1C1CC1)c1ccccc1 58989322 WQBOUCGCRVLNJV-QHCPKHFHSA-N 432.568 3.863 0 40 IHAB CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(C(=O)c2cc3cc(Cl)ccc3o2)C1 60240961 CHYRKMHVADWOAX-AWEZNQCLSA-N 449.935 3.579 0 40 IHAB CCn1nc(C)c2nc(SCc3cc(C=O)ccc3OC)n(Cc3ccco3)c(=O)c21 65329821 DXAGESKYTQMCCH-UHFFFAOYSA-N 438.509 3.676 0 40 IHAB C[C@@H]1CC[C@@H]2N(C[C@@H]3[C@H](CC[C@@H]4[C@H]3C[C@H]3[C@@H]4CC(=O)[C@H]4C[C@@H](O)CC[C@@]43C)[C@]2(C)O)C1 70707837 IQDIERHFZVCNRZ-KPKHNLGMSA-N 429.645 3.886 0 40 IHAB Cc1cc(-c2cc(=O)n(CC(=O)N3CCCc4ccccc43)nc2-c2cccs2)on1 72337018 HDYWGKPKATXYTO-UHFFFAOYSA-N 432.505 3.915 0 40 IHAB COc1ccc(CCN2C(=O)N[C@@H](CC(=O)Nc3cccc4c3ccn4C(C)C)C2=O)cc1 96115326 PQKLIIRHJJTIHL-NRFANRHFSA-N 448.523 3.723 0 40 IHAB biogenic CN1CCN(C(=O)C[C@@H]2CC3(CCN(C(=O)c4cccs4)CC3)c3ccccc32)CC1 96242247 IPIAOSQXGNKQJV-LJQANCHMSA-N 437.609 3.574 0 40 IHAB COc1ccc([C@@H]2[C@@H]3C(=O)N(C(C)C)C(=O)[C@H]3ON2c2ccc(Cl)cc2)c(OC)c1 100869481 XHTNFIDJTKVFET-ZCNNSNEGSA-N 430.888 3.612 0 40 IHAB O=C(Nc1ccc2ncccc2c1)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 101420984 CDSKVFQQEZQMHN-IZVJSRMBSA-N 437.499 3.592 0 40 IHAB CC[C@@H](C(=O)NCCCc1cccc(OC)c1)N(c1cc(C)ccc1C)S(C)(=O)=O 220548398 HHAWOBHOVXLMQN-NRFANRHFSA-N 432.586 3.606 0 40 IHAB CC[C@H](C(=O)Nc1ccc(Br)cc1F)N(c1ccccc1F)S(C)(=O)=O 220596912 UOFBGFXCHLYKDK-OAHLLOKOSA-N 447.301 3.911 0 40 IHAB CC[C@H](C(=O)NCCCc1ccccc1Cl)N(c1ccccc1F)S(C)(=O)=O 220600850 DRLLBIPEALIVMV-GOSISDBHSA-N 426.941 3.773 0 40 IHAB Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)C2)n1 220812895 CIAXPCJCSSUDOQ-IRXDYDNUSA-N 428.533 3.739 0 40 IHAB CCOc1ccc(CCC(=O)N(Cc2cccc(OC)c2)[C@@H](C)C(=O)NC)cc1OCC 222816518 TWHVUJOVBSTROD-SFHVURJKSA-N 442.556 3.589 0 40 IHAB O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1cccc(S(=O)(=O)N2CCCC2)c1 223274078 KETZWOYCIAICMJ-UHFFFAOYSA-N 448.957 3.895 0 40 IHAB COc1cc(C(=O)NC2CCCCC2)c(N(C)S(=O)(=O)c2ccc(C)cc2)cc1OC 223391935 WPXWWWSDHNTAJG-UHFFFAOYSA-N 446.569 3.900 0 40 IHAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2Cc2ccccn2)N1Cc1ccccn1 223550847 HJMOBPYMTUZQGC-DHIUTWEWSA-N 426.549 3.894 0 40 IHAB Cc1ccc(C(=O)NCCOc2cccc(C)c2C)cc1S(=O)(=O)N1CCCCC1 223925765 SWKHEGPHXZPGJP-UHFFFAOYSA-N 430.570 3.595 0 40 IHAB COc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)NCc3cccc(F)c3)c2)cc1 224503679 REORMFBOCSPWNN-UHFFFAOYSA-N 428.485 3.589 0 40 IHAB CSc1cccc(N(CC(=O)Nc2ccc(OC(F)(F)F)cc2)S(C)(=O)=O)c1 224887524 MRZXCHRVXQQKBO-UHFFFAOYSA-N 434.461 3.712 0 40 IHAB COc1cc2c(cc1CN1CCO[C@@H](c3cccc(-c4ccc(C(N)=O)cc4)n3)C1)CCC2 257217951 DBGOHRSBXUWUFV-AREMUKBSSA-N 443.547 3.918 0 40 IHAB COCCOc1ccc(C(=O)N2CCNC(=O)[C@H]2Cc2ccc(-c3ccccc3)cc2)cc1 257341113 ZIWHKIHDDLRFBC-RUZDIDTESA-N 444.531 3.562 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)c3ccccc3)C2)cc1Cl 260737004 JOZJULVFZMIOGV-INIZCTEOSA-N 436.961 3.802 0 40 IHAB O=C(CN1C(=O)S/C(=C/c2cc3c(cc2Cl)OCO3)C1=O)Nc1cccc(F)c1 409248996 RWOVJEFAPLCAQM-FZSIALSZSA-N 434.832 3.883 0 40 IHAB Cc1c(C(=O)N2CCCC[C@H]2CCNC(=O)c2ccccc2)cccc1N1CCOCC1 585261919 UFTZLPVBSUIDRJ-QFIPXVFZSA-N 435.568 3.646 0 40 IHAB OC1(COc2ccccc2F)CCN(Cc2ccc(OCCN3CCCC3)cc2)CC1 585274187 XHWQTGVEIVWYCP-UHFFFAOYSA-N 428.548 3.706 0 40 IHAB COc1ccc(C(C)(C)C(=O)N[C@@H](C)[C@@H](C)NC(=O)C(C)(C)c2ccc(OC)cc2)cc1 683361257 JOWULQUNHODMKU-HDICACEKSA-N 440.584 3.969 0 40 IHAB Cc1cc(=O)c(O)c(C2(CC(=O)NCc3cccc(-c4nccs4)c3)CCOCC2)o1 1547139249 MISIHYAGQIWUDK-UHFFFAOYSA-N 440.521 3.532 0 40 IHAB biogenic COc1cccc(CNC(=O)Cc2c(C)nc([C@H]3CCN(Cc4ccccc4)C3)nc2C)c1 1848351822 RSNUVJGMABZSAD-QHCPKHFHSA-N 444.579 3.950 0 40 IHAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3Cl)cc2)nc(C)n1 913161 XWBYUASDEIDPTO-UHFFFAOYSA-N 446.916 3.565 0 40 IHAB COc1cc2cc(CN(C3CCCC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2cc1OC 918913 DWZSZFBIMZCWQE-UHFFFAOYSA-N 442.537 3.679 0 40 IHAB Cc1cc(C)c(C)c(S(=O)(=O)NCc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c1C 1019744 VXAJHUMQKGRMFV-QZTJIDSGSA-N 444.597 3.648 0 40 IHAB O=C(NCCc1c[nH]c2ccccc12)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 3216717 KNJKIZGOORBDSP-UHFFFAOYSA-N 430.485 3.518 0 40 IHAB O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1)c1ccccc1 3249562 XZRPVBGOCXARMJ-UHFFFAOYSA-N 443.550 3.886 0 40 IHAB Nn1c(Cc2cccc3ccccc23)nnc1SCC(=O)NCc1ccc(Cl)cc1 3295201 PUCORSCYGSEWDJ-UHFFFAOYSA-N 437.956 3.798 0 40 IHAB Cn1c(SCC(=O)NCc2ccc(C(=O)O)cc2)nnc1-c1ccc(C(C)(C)C)cc1 3448094 NQRONYMAANTBPO-UHFFFAOYSA-N 438.553 3.886 0 40 IHAB CCOC(=O)C[C@@H](NC(=O)c1cc2cc(OC)ccc2oc1=O)c1ccccc1Cl 3622843 IQQCKAZHPZJGRN-GOSISDBHSA-N 429.856 3.879 0 40 IHAB biogenic,in-vitro CCCNC(=O)[C@@H]1CN(CC(=O)N[C@@H](c2ccccc2)c2cccs2)c2ccccc2O1 8710392 XOPLEFXKOPWWSC-URXFXBBRSA-N 449.576 3.748 0 40 IHAB CCOC(=O)c1sc2nc(COC(=O)Cc3c(F)cccc3Cl)nc(N)c2c1C 8747396 CSDUFHZVIKOYPG-UHFFFAOYSA-N 437.880 3.837 0 40 IHAB O=S(=O)(c1ccc(I)cc1)N1CCS[C@@H]1c1ccccc1 8833856 PMMCUNXLKJUCMK-OAHLLOKOSA-N 431.320 3.728 0 40 IHAB CS(=O)(=O)c1cccc2sc(N3CCN(c4nc5c(F)cccc5s4)CC3)nc12 8975454 XCHHUSPOYIRORI-UHFFFAOYSA-N 448.570 3.775 0 40 IHAB O=C(CSc1nc2ccccc2c(=O)n1CCO)N(C1CCCCC1)C1CCCCC1 9125924 XDDIQCUHIMHWHX-UHFFFAOYSA-N 443.613 3.975 0 40 IHAB COc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)n3nc(N4C(=O)CCC4=O)nc3N2)cc1 9346081 NEBCPIVVGSGCRP-ZWKOTPCHSA-N 437.887 3.740 0 40 IHAB O=C(CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)Nc1ccc(F)cc1 9849780 JAUOWQNYYSCLAC-UHFFFAOYSA-N 426.513 3.918 0 40 IHAB COc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)c(OC)c1 10009597 WRFGTFNLKAZFHV-UHFFFAOYSA-N 432.523 3.843 0 40 IHAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)O)cc2)c(C)c1 10272118 BLKPOIYAWPEWFU-RTBURBONSA-N 430.526 3.934 0 40 IHAB COc1ccc2c(C)c(CCC(=O)N[C@@H](C)c3ccc(-n4cncn4)cc3)c(=O)oc2c1 11406604 VWUYDLBNDDXOQZ-INIZCTEOSA-N 432.480 3.501 0 40 IHAB O=C(NCCCn1nc(-c2ccncc2)ccc1=O)C1c2ccccc2Oc2ccccc21 11746565 NBODAQWUFKZRSR-UHFFFAOYSA-N 438.487 3.749 0 40 IHAB COc1ccc(NC(C)=O)cc1NC(=O)CCc1csc(NC(=O)c2ccco2)n1 11835335 XVTQASKOTKOFDY-UHFFFAOYSA-N 428.470 3.527 0 40 IHAB COc1ccc(CN2CCN(c3ccccc3[C@@H](O)c3nccs3)CC2)cc1OC 12143967 NADZNFNBVKKJDM-JOCHJYFZSA-N 425.554 3.564 0 40 IHAB CC(=O)N1C(=O)[C@@]2(S[C@@H](C)C(=O)N2c2ccc(Br)cc2)c2ccccc21 12416880 DWWFVFVURDLLJO-WLRWDXFRSA-N 431.311 3.664 0 40 IHAB O=C(CCCN1C(=O)NC2(CCCC2)C1=O)N1CCC(c2nc3ccccc3s2)CC1 12598939 PPMMNDJGBSCOIR-UHFFFAOYSA-N 440.569 3.647 0 40 IHAB COc1cc(Br)c(OC)c(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)c1 12759289 GJDWAWRFJGFWJO-QGZVFWFLSA-N 425.298 3.638 0 40 IHAB C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CN1C(=O)c2ccccc2C1=O 12793633 VWNOJGBXPISMQS-QGZVFWFLSA-N 441.487 3.755 0 40 IHAB C[C@@H]1Oc2ccc(NC(=O)c3oc4ccccc4c3CSc3ncn[nH]3)cc2NC1=O 12844917 BIPPZZCAQZNIJK-NSHDSACASA-N 435.465 3.815 0 40 IHAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(-c4nnc5n4CCCCC5)cc3)CC2=O)cc1 12938590 JUOMVNOMWBQBDW-LJQANCHMSA-N 429.524 3.972 0 40 IHAB Cc1cc(C(=O)CCC(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)c(C)s1 13147818 VSBUZOXDIKVMMH-UHFFFAOYSA-N 428.510 3.635 0 40 IHAB COC(=O)c1ccccc1NC(=O)CSc1nnc(CNc2ccc(Cl)cc2)o1 13561480 CLCAFWLUGRTBMK-UHFFFAOYSA-N 432.889 3.853 0 40 IHAB Cc1cnc(NC(=O)C2CCC(CNS(=O)(=O)c3ccc(Cl)cc3)CC2)s1 13684816 ZRIPNNJMPJMASP-UHFFFAOYSA-N 427.979 3.828 0 40 IHAB CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2)C(c2ccccc2)=NN=3)cc1 13739545 VDJPVRRCEVSUJC-CAZPATRMSA-N 439.540 3.764 0 40 IHAB CCOc1ccc(NC(=O)CN2C(=O)/C(=C3\SC(=S)N=C3O)c3ccccc32)cc1 13799371 BGEVTIXXTRHPQU-ZCXUNETKSA-N 439.518 3.770 0 40 IHAB CCCOc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1OCCC 14161227 IEBODUOPWWVAQV-UHFFFAOYSA-N 440.540 3.951 0 40 IHAB COc1c(F)c(F)c(C(=O)NC(=S)Nc2cccc(NC(=O)C(C)C)c2)c(F)c1F 14271296 IYHCHFVPHMSZKM-UHFFFAOYSA-N 443.422 3.973 0 40 IHAB COc1cc(OC)cc(C(=O)Nc2nc(CC(=O)NCc3c(F)cccc3F)cs2)c1 15881061 BCHSBCIRTZYCRK-UHFFFAOYSA-N 447.463 3.550 0 40 IHAB COc1ccccc1NC(=O)Nc1nc(CC(=O)NCc2c(F)cccc2F)cs1 16047539 NZBVBZBHYQWLBP-UHFFFAOYSA-N 432.452 3.933 0 40 IHAB O=C(COc1ccc(Cl)cc1Cl)N(Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 16750677 ZXMULIJOKIBURX-OAHLLOKOSA-N 446.327 3.727 0 40 IHAB Cc1ccccc1CN1CCC[C@@H]1c1c(-c2ccnc(N3CCCC3)n2)cnn1CCO 19237195 VUPUDRYTKIDKJZ-HSZRJFAPSA-N 432.572 3.578 0 40 IHAB C[C@@H](C(=O)N1CCC[C@H]1c1nn(C)cc1-c1ccnc(N2CCCC2)n1)c1ccccc1 19459231 FUHWDVUZORAYFX-GCJKJVERSA-N 430.556 3.945 0 40 IHAB CCCN1CCN(C(=O)c2ccn(C)n2)C[C@@H](Cc2ccc(-c3cccs3)cc2)C1=O 19502884 VYTIBTVLHDLOLQ-HXUWFJFHSA-N 436.581 3.702 0 40 IHAB CCNC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCN(C(=O)c2cnn(C(C)C)c2)C1 19529110 RALWLYBVWVWRNO-AREMUKBSSA-N 445.567 3.737 0 40 IHAB Cc1ncc(C(=O)N2CCN(C)C(=O)[C@@H](Cc3ccc(-c4ccccc4)cc3)C2)c(C)n1 19552491 GJJINGVKEHUPSR-QHCPKHFHSA-N 428.536 3.534 0 40 IHAB COc1ccc2c(c1)c(C(=O)CN1CCC(O)(Cn3cnc4ccccc43)CC1)c(C)n2C 19581518 NFQITGMGXVCBRM-UHFFFAOYSA-N 446.551 3.555 0 40 IHAB CCN(CC(=O)N[C@@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930394 AAMIVOYQMWWSLJ-LJQANCHMSA-N 436.961 3.553 0 40 IHAB COc1ccc(Nc2nc(N3CCN(c4ccc(F)cc4)CC3)nc3c2cnn3C)cc1 21873720 OUVSVJPQUBOHDI-UHFFFAOYSA-N 433.491 3.581 0 40 IHAB C[C@H]1CN(Cc2csc(NC(=O)COCc3nc4ccccc4s3)n2)C[C@@H](C)O1 22302111 GGOLRGZAHBNXFS-OKILXGFUSA-N 432.571 3.517 0 40 IHAB CCCCCC(=O)NC(=S)N(Cc1ccc(OCC(N)=O)c(OC)c1)C1CCCCC1 22528891 VJAXSCRKYXFXFD-UHFFFAOYSA-N 449.617 3.675 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N[C@H](C)c2ccc(F)cc2)cc1Cl 22539237 NGQOGPCPRSSDQO-CQSZACIVSA-N 442.940 3.766 0 40 IHAB O[C@@H](COc1ccccc1-c1ccccc1)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 22918027 NYMZQKZQOCHLAX-HSZRJFAPSA-N 446.547 3.640 0 40 IHAB O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCN(Cc2ccsc2)CC1 23968730 WUTJPZNDSQAITR-UHFFFAOYSA-N 429.549 3.954 0 40 IHAB CN(Cc1ccccc1)C(=O)c1ccccc1C(=O)N1CCN(Cc2ccccc2)CC1 25720764 XNIMJEAHVAVFQC-UHFFFAOYSA-N 427.548 3.917 0 40 IHAB Cc1c(CCC(=O)Nc2ccc(C(N)=O)cc2)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 32123897 WMGGAQBYFPSORR-UHFFFAOYSA-N 434.492 3.875 0 40 IHAB biogenic Cc1cccc(N2C(=O)C[C@@]3(CSc4[nH]c(=O)sc4[C@@H]3c3ccccc3O)C2=O)c1 32594733 JQFGAWIBJBEFOV-JTSKRJEESA-N 438.530 3.638 0 40 IHAB COC(=O)c1ccc(OCC(=O)N2N=C(c3ccco3)C[C@@H]2c2cccs2)c(OC)c1 32672108 ANVPUMPKPLXUMD-MRXNPFEDSA-N 440.477 3.893 0 40 IHAB O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)N1CCC[C@@H]1c1cccs1 32721826 PTAACPWKHGKFAO-MRXNPFEDSA-N 437.550 3.626 0 40 IHAB CCOC(=O)c1ccc(S(=O)(=O)N[C@H](C)c2ccccc2C)c(Br)c1 32770651 QIMYPTZYPJCTRU-CYBMUJFWSA-N 426.332 3.974 0 40 IHAB CC(C)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 32971033 BNJOBRSHWQHHPG-MRXNPFEDSA-N 432.876 3.883 0 40 IHAB COc1cccc(-c2noc(CCn3nc(-c4cccc(Cl)c4)ccc3=O)n2)c1OC 33309680 KGSNVFKJXKDJRA-UHFFFAOYSA-N 438.871 3.874 0 40 IHAB O=C1N=C(O)/C(=C\c2cc(Br)c(Br)o2)C(=O)N1Cc1ccco1 33766160 UMRINKSDIWYCBM-RUDMXATFSA-N 444.035 3.900 0 40 IHAB CCOc1ccccc1-n1c(SCC(=O)Nc2nccs2)nnc1-c1ccncc1 35289154 GLTDLVNHESSVID-UHFFFAOYSA-N 438.538 3.915 0 40 IHAB COc1ccccc1N1CCN(C(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)CC1 39772288 XAWVSKKOQVJPHC-UHFFFAOYSA-N 427.976 3.909 0 40 IHAB COc1ccc(S(=O)(=O)NCC2CCN(Cc3cc(C)oc3C)CC2)cc1Cl 43954339 XECOHYUATYERJA-UHFFFAOYSA-N 426.966 3.749 0 40 IHAB CC[C@@H](NC(=O)C1CCN(Cc2ccc(C)cc2)CC1)c1ccc(S(C)(=O)=O)cc1 44856976 HHACRKPUAAZAHP-HSZRJFAPSA-N 428.598 3.878 0 40 IHAB COC(=O)c1c(NC(=O)CN2CCN(c3cccc(C)c3C)CC2)c2c(C)cccc2n1C 61947428 HZMNOHXHONSWPT-UHFFFAOYSA-N 448.567 3.651 0 40 IHAB CCc1ccc(NC(=O)Cn2c(-c3cccc(Cl)c3)nc(C)c(CCO)c2=O)cc1 67301518 CKEBQDROHIHODV-UHFFFAOYSA-N 425.916 3.608 0 40 IHAB COc1ccc(CNC(=O)c2cnn(-c3ccc(-c4nc(C(C)(C)C)no4)cn3)c2C)cc1 71768640 PJIJAUFOKVCRHC-UHFFFAOYSA-N 446.511 3.862 0 40 IHAB COc1ccc(NC(=O)C2(NC(=O)[C@@H](C)Oc3ccc(F)c(F)c3)CCCC2)cc1OC 72310327 WOQOYYJUIVEDKM-CQSZACIVSA-N 448.466 3.817 0 40 IHAB C[C@@H](Oc1cccc(F)c1)C(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1 79014476 GSZWQCWLILYVOU-MRXNPFEDSA-N 428.485 3.710 0 40 IHAB Cc1ccc(-n2nc(C)c(NC(=O)CN3CCC(c4nncn4C(C)C)CC3)c2C)cc1 95394531 DBIAFCDPAVINDR-UHFFFAOYSA-N 435.576 3.788 0 40 IHAB Cc1cccc(N(CCCC(=O)NCc2ccc(OC(C)C)cc2)S(C)(=O)=O)c1C 113961531 BJTKWAXGPSNRSO-UHFFFAOYSA-N 432.586 3.953 0 40 IHAB CCOC(=O)C1(C(=O)OCC)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(CC)cc1 218349172 HRGYMLKUKJEZFD-SFTDATJTSA-N 444.549 3.610 0 40 IHAB CC[C@H](C(=O)NCc1cccc(C(F)(F)F)c1)N(c1ccccc1F)S(C)(=O)=O 223108019 YTFIARBUKUJMFN-MRXNPFEDSA-N 432.439 3.706 0 40 IHAB O=C(O)c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1 223319688 FXLAJSFQBKJBFK-YUXAGFNASA-N 448.548 3.722 0 40 IHAB CCOc1ccc(CNC(=O)c2cccc(NS(=O)(=O)c3ccc(OC)cc3)c2)cc1 224042656 OUTPGURROVINHV-UHFFFAOYSA-N 440.521 3.825 0 40 IHAB Cc1ccc(OCCNC(=O)[C@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)c(C)c1 224045644 BJUDEKBMMSISHG-KRWDZBQOSA-N 438.977 3.615 0 40 IHAB Cc1ccc(OCCNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)cc1Cl 224147741 VZIGCZJNVVCLRS-UHFFFAOYSA-N 436.961 3.550 0 40 IHAB Cc1ccc2c(c1)O[C@@H](C(=O)NCC1=CCCCC1)CN2S(=O)(=O)c1ccccc1 224494698 PJKJXVPOJQKGTN-JOCHJYFZSA-N 426.538 3.568 0 40 IHAB COc1ccc(OCCCC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)C)cc1 224663607 JUGLLXFRVWACBB-GOSISDBHSA-N 430.520 3.935 0 40 IHAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1cccc(C)c1 224939169 LKCNYOLPNTUNJO-HSZRJFAPSA-N 426.557 3.962 0 40 IHAB CCc1ccc(OCC(=O)N(Cc2cccc(OC)c2)[C@@H](C)C(=O)N[C@H](C)CC)cc1 225371358 FQYICFVHNSTVSK-MOPGFXCFSA-N 426.557 3.968 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)Nc1ccccc1OC(C)C 225462377 IZDSTOVXLWHTKM-UHFFFAOYSA-N 446.569 3.838 0 40 IHAB CCCn1c(=O)sc2cc(S(=O)(=O)NCCSCc3ccccc3C)ccc21 225724820 WFEVPFAKRMIXEB-UHFFFAOYSA-N 436.624 3.993 0 40 IHAB CSc1ccc(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)cc1NC(=O)C(C)C 225866220 GVTCWUPBCYJYGE-UHFFFAOYSA-N 447.582 3.931 0 40 IHAB FC(F)(F)c1cc(N2CCCCC2)nc(NC(=S)NCc2ccc3c(c2)OCO3)n1 226013522 OACRJTJLWJUIIS-UHFFFAOYSA-N 439.463 3.701 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc4sncc4c3)C2)cc1C 226084570 BSEDGIOKVVTCFD-OAHLLOKOSA-N 445.566 3.653 0 40 IHAB CCc1ccc([C@H]2CC(c3ccc(OC)cc3)=NN2C2=NC(=O)[C@@H](CC(=O)O)S2)cc1 252492353 MJQAFDCFWMUFLY-WOJBJXKFSA-N 437.521 3.881 0 40 IHAB COc1cc(CCc2nc(N(C)CCOc3ccccc3F)ncc2C(=O)O)ccc1C 257209331 BPZAOCAPXOXAOH-UHFFFAOYSA-N 439.487 3.931 0 40 IHAB COc1cc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(=O)CCO)ccc1OC(C)C 257327199 XAKIUIGANQCEQB-FYFGABSMSA-N 431.573 3.863 0 40 IHAB CN([C@H](C(=O)N[C@@H]1CC2(CCCCC2)Oc2ccccc21)c1ccccc1)S(C)(=O)=O 260762383 IIASDJQBYJLCNS-IRLDBZIGSA-N 442.581 3.962 0 40 IHAB CC[C@@H](C(=O)N[C@H](CC)c1ccc(OC)c(C)c1)N(c1ccccc1F)S(C)(=O)=O 260767725 OPWFFZAEBKJFLG-MOPGFXCFSA-N 436.549 3.955 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(OC)c(OC)c2)cc1NC(=O)c1ccccc1 408556729 JJDZQJHSOHPNCC-UHFFFAOYSA-N 442.493 3.766 0 40 IHAB CCCCCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccccc3)CC2=O)cc1 408638013 PQFGVYFYJUNNCO-FQEVSTJZSA-N 437.492 3.813 0 40 IHAB CC[C@@H](C)NC(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1 408942569 ZJCGLRJGIDPRMN-OAHLLOKOSA-N 439.375 3.555 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCc1ccc(C)cc1)c1ccccc1 409389891 QNRBYAGVZGKXFT-UHFFFAOYSA-N 438.549 3.824 0 40 IHAB Cc1nc(Nc2ncccc2C)cc([C@@H]2CCN(C(=O)/C=C/c3c(C)nn(C)c3C)C2)n1 585292429 MEFUCFVSJKQYFI-CSHXORCISA-N 431.544 3.612 0 40 IHAB Cc1csc(Nc2cc([C@@H]3CCN(C(=O)/C=C/c4c(C)nn(C)c4C)C3)nc(C)n2)n1 585293292 ZESQHCZHGJCOHL-DKRLNXSXSA-N 437.573 3.673 0 40 IHAB CCC(=O)N1CC[C@H]2CCC[C@@H](CN(C3CCCC3)Cc3ccccc31)N2C(=O)COC 643579495 BSBGSFXQGXLGKY-PKTZIBPZSA-N 441.616 3.974 0 40 IHAB COc1ccc(NC(=S)N(CCN(C)C)Cc2cc3cc(C)c(C)cc3[nH]c2=O)cc1 880669 XEKFQLVZCRWYFE-UHFFFAOYSA-N 438.597 3.914 0 40 IHAB Cc1cccc(N2C[C@H](C(=O)OCC(=O)c3ccc(Br)cc3)CC2=O)c1C 993222 IFZIJJMOUXBNKW-MRXNPFEDSA-N 430.298 3.845 0 40 IHAB Cc1ccc2cc(CN(CCO)S(=O)(=O)c3ccc(C(C)(C)C)cc3)c(=O)[nH]c2c1C 1329171 JWWMYEPOSQSXMS-UHFFFAOYSA-N 442.581 3.626 0 40 IHAB COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCC(C)C)CC(=O)N32)cc1 2094512 UASRKLJYYNKBMR-DHLKQENFSA-N 431.536 3.908 0 40 IHAB biogenic CCOC(=O)c1sc(N[C@@H]2OC(=O)c3c2ccc(OC)c3OC)c(C(=O)OCC)c1C 2202635 WOKSPCINWPSKBH-QGZVFWFLSA-N 449.481 3.708 0 40 IHAB COC(=O)c1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2C[C@H]2CCCO2)cc1 2377506 HMZLCJODXXJYBF-DYESRHJHSA-N 433.460 3.612 0 40 IHAB COc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)Nc3nc(N4C(=O)CCC4=O)nn32)cc1 2390929 UXLUMINOBNLPDQ-ROUUACIJSA-N 437.887 3.740 0 40 IHAB COc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nncs2)cc1OC 2407576 OFXIJHAFXDOPAM-SFHVURJKSA-N 435.461 3.720 0 40 IHAB CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2cccc(F)c2)o1 2431447 KOBUFEKEZOUFMN-DOMZBBRYSA-N 427.498 3.795 0 40 IHAB CCCCN1C(=O)[C@@](O)(CC(=O)c2ccc3c(c2)OCO3)c2cc(Br)ccc21 2493105 UDVMQQJXVVNLTB-OAQYLSRUSA-N 446.297 3.785 0 40 IHAB CSc1ccc(Cl)c(C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)c1 3300189 JKXDRKDFOGAZKL-UHFFFAOYSA-N 438.958 3.897 0 40 IHAB Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)OCC(=O)N4C[C@@H](C)C[C@H](C)C4)cc3C2=O)c1 3471851 AODKRJFSQPLCSG-IRXDYDNUSA-N 448.519 3.765 0 40 IHAB COc1ccc(S(=O)(=O)N(C(=O)c2ccccc2)c2ccc3oc(=O)sc3c2)cc1 3653770 PWBMASCUHWNAPQ-UHFFFAOYSA-N 441.486 3.899 0 40 IHAB CC(=O)OCC(=O)[C@@]1(OC(C)=O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 5383219 IASNEQDWRXBECK-KPFXFDDGSA-N 430.541 3.952 0 40 IHAB COc1cccc(NC(=O)CSc2nnc(-c3ccoc3C)n2C[C@H]2CCCO2)c1 8666744 REDICIQXDGYRAT-QGZVFWFLSA-N 428.514 3.765 0 40 IHAB CCOc1c(Br)cc(C(=O)Nc2ccccc2N2CCOCC2)cc1OC 8894219 MIMQHQQEUIPYLZ-UHFFFAOYSA-N 435.318 3.945 0 40 IHAB COc1ccc2cc([C@]3(C)NC(=O)N(CC(=O)Nc4ccc5c(c4)CCC5)C3=O)ccc2c1 8966188 UIHSIQDWBBBYHT-SANMLTNESA-N 443.503 3.743 0 40 IHAB CCOC(=O)c1c(NC(=O)CNc2cccc(C)c2C(=O)OC)sc(C(C)=O)c1C 9155697 OXALLVIXTHLVFY-UHFFFAOYSA-N 432.498 3.581 0 40 IHAB CCN1C(=O)[C@]2(c3ccccc31)c1c(oc3cc(C)c(C)cc3c1=O)C(=O)N2CCCOC 9431974 PZMNRSZLSCNTNP-SANMLTNESA-N 446.503 3.512 0 40 IHAB CC(=O)Oc1ccc(-c2ccc(C(=O)OCc3cc(=O)n4cc(C)ccc4n3)cc2)cc1 9467003 HURJRZBMEVINBE-UHFFFAOYSA-N 428.444 3.952 0 40 IHAB Cc1c(Cl)cccc1N1CCCn2c1nc1c2c(=O)n(CCc2ccccc2)c(=O)n1C 9519194 UIMKCEXSNXOTJN-UHFFFAOYSA-N 449.942 3.643 0 40 IHAB O=C(NC1CCCC1)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Cl)cc1 9533421 ZHZYZTVOJQZFOH-NRFANRHFSA-N 445.972 3.770 0 40 IHAB O=C([C@@H]1CN(C(=O)c2cccc(Oc3ccccc3)c2)c2ccccc2O1)N1CCOCC1 9579872 BIAKCQFHIXZZDD-DEOSSOPVSA-N 444.487 3.746 0 40 IHAB COCCn1c(SCC(=O)Nc2cc(C)ccc2C)nc2sc3c(c2c1=O)CCC3 9625991 KQGAWSYWZIBTQB-UHFFFAOYSA-N 443.594 3.941 0 40 IHAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 9884401 MROKLWVYFRNZAJ-MRXNPFEDSA-N 440.927 3.713 0 40 IHAB Cc1ccc(N(Cc2ccc(C(=O)NCCCOC(C)C)cc2)S(C)(=O)=O)cc1C 9891961 MPBWZBINNNGJGX-UHFFFAOYSA-N 432.586 3.815 0 40 IHAB Oc1nnc(/C=C/c2ccccc2)c2c1Nc1nnnn1[C@H]2c1ccc(Br)cc1 10297929 HYDATPSPMHCWMG-QKIXSCASSA-N 448.284 3.796 0 40 IHAB CC(C)N1CCC[C@H](CN(C)C(=O)c2cc(-c3cccnc3)c(N3CCOCC3)s2)C1 12220206 FICPGPZADOTDKW-LJQANCHMSA-N 442.629 3.839 0 40 IHAB O=C(Nc1ccnn1C1CCCC1)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12 12597934 DKEGOVKPGIJMAC-UHFFFAOYSA-N 427.530 3.732 0 40 IHAB O=C(CCn1c(S)nnc1-c1cccs1)NC[C@H](c1ccccc1)N1CCCC1 12740298 XRQOMICNIUFQJP-QGZVFWFLSA-N 427.599 3.639 0 40 IHAB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NCCc2cccs2)cc1 12750757 GKSZCEAXVKHKCU-UHFFFAOYSA-N 430.551 3.554 0 40 IHAB COc1ccc([C@@H](CNC(=O)c2cccc(CN3CCCC3=O)c2)N2CCCCC2)cc1 12911278 AQXIJHMJPNCONF-XMMPIXPASA-N 435.568 3.775 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1NC(C)=O 12994235 QXUQXICHLBBZSG-OAHLLOKOSA-N 445.566 3.832 0 40 IHAB COc1ccc([C@@H](c2nnnn2Cc2cccs2)N2CCN(c3ccccc3)CC2)cc1 13505316 UGCHJEHSTPHHNO-QHCPKHFHSA-N 446.580 3.703 0 40 IHAB CSCC[C@@H](NC(=O)N1CC(O)=Nc2ccccc21)C(=O)NCc1ccc(Cl)cc1 13552756 GVNHXNXWCWXXAY-QGZVFWFLSA-N 446.960 3.896 0 40 IHAB Cc1cccc(CCCNC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c1 13631908 HVCDPJGHQZMCNP-UHFFFAOYSA-N 429.369 3.817 0 40 IHAB COCCN1C(=O)C[C@@H](C(=O)O)[C@@H]1c1ccc(OCc2cccc(Cl)c2)c(OC)c1 13721506 INVDLUJUAWTDPB-UTKZUKDTSA-N 433.888 3.548 0 40 IHAB O=C(Nc1ccccc1)N1CCC(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 14207782 DVGRLIQBGYMBHW-UHFFFAOYSA-N 428.341 3.968 0 40 IHAB C[C@H]1C[C@@H](C)CN(C(=O)CSc2nnc3c4cc(Br)ccc4n(C)c3n2)C1 15009482 UXBXROJTMYWKJW-TXEJJXNPSA-N 448.390 3.876 0 40 IHAB COc1cc(OC)c(NC(=O)Cn2cnc3c(sc4ccccc43)c2=O)cc1Cl 16943073 IWMNHHXFHYQJFP-UHFFFAOYSA-N 429.885 3.921 0 40 IHAB Fc1ccc([C@H](c2nnnn2Cc2cccs2)N2CCN(C3CCCC3)CC2)cc1 19343830 KQLGOMMTFREDOH-OAQYLSRUSA-N 426.565 3.572 0 40 IHAB O=C(NCCn1ncc(-c2cnccn2)c1-c1cccs1)C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2 19343962 WPZFNGQQXXBKQX-UPFYTXMWSA-N 449.580 3.516 0 40 IHAB CC(C)NC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CCCN(C(=O)[C@@H]2CCCO2)C1 19448769 GDDJSQDHCBYWRW-OZXSUGGESA-N 435.568 3.604 0 40 IHAB CC(C)c1cc(C(=O)N2CCC(c3cc(C(=O)NCc4cccs4)on3)CC2)no1 19452676 GODNAMXLVVQLEX-UHFFFAOYSA-N 428.514 3.797 0 40 IHAB CCn1cc(CN2CCC(C[C@H]3CC(c4cccc(F)c4)=NO3)(C(=O)O)CC2)c(C)n1 19524515 WQKAXSVWEVNRHS-HXUWFJFHSA-N 428.508 3.601 0 40 IHAB Cc1cc(C)n(CCC(=O)NC2CCN(c3ncc(-c4ccncc4)c(C(C)C)n3)CC2)n1 19573937 JPSDNNLBLLPBHO-UHFFFAOYSA-N 447.587 3.651 0 40 IHAB COc1ccc(-c2nccnc2[C@H]2CN(C(=O)c3ccc4c(c3)CCCN4C)CCO2)cc1 19693317 JDWIZVYBYXMJMR-HSZRJFAPSA-N 444.535 3.748 0 40 IHAB CN(C)c1ncc(-c2cccc(C(N)=O)c2)c(C2CCN(C(=O)CC3CCCC3)CC2)n1 19695123 ADQDIHYNQOZRLC-UHFFFAOYSA-N 435.572 3.595 0 40 IHAB Cc1nn(C)cc1CN1CCC[C@@H]1c1nc(C)c2c(n1)N(CCc1ccccc1)C(=O)CC2 19740650 JFSDKQRFTFVJQU-HSZRJFAPSA-N 444.583 3.686 0 40 IHAB COCc1ccc(C(=O)N2CCCC[C@@H]2c2nc(C)c3c(n2)N(C2CC2)C(=O)CC3)cc1 19740858 IORJLRHYLZNDFC-OAQYLSRUSA-N 434.540 3.740 0 40 IHAB Cc1nc([C@@H]2CCCN(C(=O)C(C)(C)C)C2)nc2c1CC(=O)N2CCc1ccccc1F 19744432 LCJSCSXCEHYHTD-GOSISDBHSA-N 438.547 3.808 0 40 IHAB COc1ccccc1NC(=O)c1cnc([C@H]2CCCCN2C(=O)c2cccnc2)nc1C 19753404 RPYVTIXSIOMFJK-HXUWFJFHSA-N 431.496 3.808 0 40 IHAB Cc1nc([C@@H]2CCCN2C(=O)Cc2c(C)[nH]c3ccc(Cl)cc23)ncc1C(=O)N(C)C 19756061 CCYXHKPDTVLDJI-FQEVSTJZSA-N 439.947 3.836 0 40 IHAB Cc1nc([C@@H]2CCCN(C(=O)COc3ccc(F)cc3)C2)ncc1C(=O)Nc1ccccc1 19765279 XATWQSUAHNGFQX-GOSISDBHSA-N 448.498 3.961 0 40 IHAB CCCCNS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccc(SC)cc2)cc1 20020844 BRRGLFLTRNGCCM-INIZCTEOSA-N 436.599 3.743 0 40 IHAB CC(C)c1nc2oc3c(NCCCN4CCOCC4)ncnc3c2c2c1COC(C)(C)C2 20503672 ONVCQTSNJCDPLQ-UHFFFAOYSA-N 439.560 3.880 0 40 IHAB CCc1cccc(CC)c1NC(=O)CN1CCN(CC(=O)Nc2cccc(C)c2C)CC1 20807164 MVOPUHRFDKKYJK-UHFFFAOYSA-N 436.600 3.623 0 40 IHAB Cc1cc(C)cc(N(CC(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)S(C)(=O)=O)c1 22329335 AELQMPOQFRGXHK-FQEVSTJZSA-N 430.570 3.796 0 40 IHAB O=C(Nc1ccc2c(c1)OCO2)N1CCN(Cc2nc(-c3cccs3)cs2)CC1 23145203 KMLFGZXHSLMFCL-UHFFFAOYSA-N 428.539 3.950 0 40 IHAB COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)N(C)[C@@H]1CCCc2ccccc21 24071615 WPEDERAPUACUIT-HXUWFJFHSA-N 429.948 3.755 0 40 IHAB COc1ccc(Cl)cc1NC(=O)Nc1nc2ccccc2n1CCN1CCOCC1 28221466 HSDJXAXNWDSFKT-UHFFFAOYSA-N 429.908 3.675 0 40 IHAB CSc1ccccc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1 30938153 QGWDCBLRFXWCPC-SFHVURJKSA-N 434.583 3.872 0 40 IHAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)Cn2cc(C(F)(F)F)ccc2=O)cc1 31625299 QLKQBDDBAWZTRB-UHFFFAOYSA-N 443.425 3.744 0 40 IHAB COc1cc(OC)cc(-c2noc(CCn3nc(-c4cccc(Cl)c4)ccc3=O)n2)c1 33309683 QOGWVHYSEFAREQ-UHFFFAOYSA-N 438.871 3.874 0 40 IHAB O=C(c1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2CCCN12 35876787 GILKAXPPISVCGK-MKXGPGLRSA-N 446.400 3.680 0 40 IHAB O=C(O)Cn1cc([C@@H](C(=O)O)N2CCC(c3nc4ccccc4o3)CC2)c2ccccc21 36365508 FERGWYADQVTCRH-QFIPXVFZSA-N 433.464 3.872 0 40 IHAB C[C@H](CCc1ccccc1)NC(=O)CC[C@H]1N=C(O)N(CCc2c[nH]c3ccccc23)C1=O 36594911 QNSNYWIKUKERGB-WZONZLPQSA-N 446.551 3.753 0 40 IHAB biogenic CCOc1ccc(-c2noc(-c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)o3)n2)cc1OC 38489267 WVGPHGKWIDXLFN-CQSZACIVSA-N 447.513 3.825 0 40 IHAB Cc1nccn1Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 38850417 AHHGYZRIGRSJEI-UHFFFAOYSA-N 438.553 3.667 0 40 IHAB Cc1ccc(C(=O)NCc2ccccc2CN2CCC[C@H](C)C2)cc1NS(C)(=O)=O 40108124 NIYVWGVNEOOTIS-KRWDZBQOSA-N 429.586 3.528 0 40 IHAB O=C1C[C@@H](C(=O)Nc2ccc(Cl)cc2Cl)c2c(nc(Nc3ccccc3)[nH]c2=O)N1 40399212 NAIMOPKXTLGPHY-GFCCVEGCSA-N 444.278 3.885 0 40 IHAB COc1ccc(OC)c(CNC(=O)c2nnn(-c3ccc(F)c(C)c3)c2-c2ccncc2)c1 49003528 XCFJYPWFGFZMLI-UHFFFAOYSA-N 447.470 3.724 0 40 IHAB Cc1cccc(NC(=O)CN2CN(c3cccc(F)c3)c3ncccc3S2(=O)=O)c1C 49411548 WXAZXCZPDOTCOQ-UHFFFAOYSA-N 440.500 3.576 0 40 IHAB CCc1nc2ccccc2n1CC(=O)N1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 58313235 UFCXLUFILHBZGB-KRWDZBQOSA-N 437.519 3.798 0 40 IHAB COc1ccc(S(=O)(=O)N2C[C@H](C(=O)Nc3cccc(C)c3)Oc3ccccc32)cc1 64986229 WPQJDTZMXNSULV-JOCHJYFZSA-N 438.505 3.599 0 40 IHAB COc1ccc(C2(O)CCN(c3ncc(-c4cnccn4)c(-c4ccco4)n3)CC2)cc1 72338626 YLFARIQVKZLUJX-UHFFFAOYSA-N 429.480 3.690 0 40 IHAB COc1ccc(F)cc1-c1ccc(C[C@@]2(C(=O)NCCn3ccc(C)n3)CCCO2)cc1 72345359 IVGHUYAXCZRVLM-RUZDIDTESA-N 437.515 3.914 0 40 IHAB COc1ccc(-c2cc(C(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)n(C)n2)cc1 72406371 FCZNJYUZCYBPRZ-UHFFFAOYSA-N 425.916 3.873 0 40 IHAB COc1ccc(OC)c(S(=O)(=O)N[C@H]2CCC[C@@H](OC(=O)Nc3ccccc3)C2)c1 77200270 ODQAOTQSADTZOX-FUHWJXTLSA-N 434.514 3.542 0 40 IHAB COc1cc(C(c2oc(C)cc(=O)c2O)c2oc(C)cc(=O)c2O)ccc1OC(C)C 85875701 LUWWYDPIKHYRIA-UHFFFAOYSA-N 428.437 3.597 0 40 IHAB biogenic CCCN(CC(=O)Nc1ccccc1C)C(=O)c1cc(-c2ccc(O)cc2)c(C)[nH]c1=O 96004287 BGNXKDLSKQAOGY-UHFFFAOYSA-N 433.508 3.855 0 40 IHAB O=C(C1CC1)N1CCc2ccc(NS(=O)(=O)c3ccccc3OC(F)(F)F)cc2C1 96103637 MALXCAGVHMHZRQ-UHFFFAOYSA-N 440.443 3.681 0 40 IHAB COC(=O)c1ccc(Cc2noc(COC[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2)cc1 97377863 FXNDVKGFMNHTIB-QGZVFWFLSA-N 445.516 3.611 0 40 IHAB CC[C@@]1(C(=O)c2ccccc2)[C@H]2c3cc(Br)ccc3OC(=O)[C@@]21C(=O)OC 100117539 SPEZWJOIRKUOFO-CZAAIQMYSA-N 429.266 3.904 0 40 IHAB CC(C)C(=O)N1CCCC[C@H]1c1cc2nc3c(c(O)n2n1)CN(Cc1cccs1)CC3 100233807 ABSDMNGMVCYSNS-FQEVSTJZSA-N 439.585 3.764 0 40 IHAB O=C1[C@H]2[C@@H](Sc3[nH]c(=O)sc3[C@H]2c2ccc(O)cc2)C(=O)N1c1ccc(Cl)cc1 100848381 SSAHOWUXRDKWJH-SQWLQELKSA-N 444.921 3.591 0 40 IHAB CC[C@@H](C(=O)NCCCc1ccc(OC)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 219120532 GVDMKAPNPQGMHT-QFIPXVFZSA-N 432.586 3.606 0 40 IHAB CCOc1cccc(NC(=O)C2=C(C)c3cc(OC)c(OC)cc3N(CC)S2(=O)=O)c1 219196236 PFNZMZYFKKBTGQ-UHFFFAOYSA-N 446.525 3.642 0 40 IHAB CC[C@H](Oc1cccc(OC)c1)C(=O)N(C)Cc1nc(-c2ccc(OC)cc2OC)no1 219364096 PWEAIWOHAPVKGY-IBGZPJMESA-N 441.484 3.578 0 40 IHAB CCOC(=O)c1cccc(NC(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)c1 219635581 FGIWMSXLCJHMAG-UHFFFAOYSA-N 438.933 3.702 0 40 IHAB CCOc1ccc(CCCNC(=O)[C@H](CC)N(c2cccc(C)c2)S(C)(=O)=O)cc1 220524094 SOJWHNJLDDSZGT-QFIPXVFZSA-N 432.586 3.687 0 40 IHAB CCOc1ccc(CNC(=O)[C@H](CC)N(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 220721794 GAIULYRCBDSPML-IBGZPJMESA-N 438.977 3.908 0 40 IHAB C[C@@H](CNC(=O)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1)c1ccccc1 224385639 YMGHHOWLRDRYRH-NZQKXSOJSA-N 428.598 3.581 0 40 IHAB Cc1nc(N2CCC(NS(=O)(=O)c3cccc(Cl)c3C)CC2)cc(C(F)(F)F)n1 253472777 PIKRYRLXSBXBFV-UHFFFAOYSA-N 448.898 3.713 0 40 IHAB COc1ccc([C@H]2C[C@@](C)(NC(C)=O)[C@@H]3CC[C@@H](C)C[C@H]3O2)cc1CN1CCOCC1 257268111 MKGYNSOGMFMSBE-RYTFILGJSA-N 430.589 3.688 0 40 IHAB COc1ccc(Nc2ncccc2C(=O)N2CCN(C(C)=O)C[C@H]2c2ccccc2)cc1 257312277 UNEFJWCIJOXZFQ-QHCPKHFHSA-N 430.508 3.879 0 40 IHAB CN1CCC(Cc2ccccc2F)(C(=O)N2CCC[C@@H](c3ccnc(N(C)C)c3)C2)CC1 257324328 WOENORRYRUTLFN-JOCHJYFZSA-N 438.591 3.947 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)N(C)c2ccc(F)cc2)C1 260731172 DCYVOHAMLXLTMU-AWEZNQCLSA-N 440.924 3.551 0 40 IHAB C[C@H](NC(=O)COC(=O)c1cccc(N2C(=O)[C@H]3CC[C@@H](C)C[C@H]3C2=O)c1)c1ccccc1 408657227 GZMKYXDAVWKPIP-XKPGHWPRSA-N 448.519 3.646 0 40 IHAB CC(C)OC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccccc2Cl)cc1 408661670 GQEJFORBZHZFKM-UHFFFAOYSA-N 446.887 3.806 0 40 IHAB COc1ccc(CCNC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)cc1OC 408971106 MDOVMIXVGFHRDY-UHFFFAOYSA-N 430.932 3.568 0 40 IHAB CC(=O)Nc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)cc1 409160107 XPZUSSNXVCNIRV-MFOYZWKCSA-N 429.885 3.973 0 40 IHAB COCCn1c([C@H](C)NC(=O)[C@@H](C(C)C)N2Cc3ccccc3C2=O)nc2ccccc21 504693385 WPZSRZATXSVFMF-HTAPYJJXSA-N 434.540 3.541 0 40 IHAB CNC(=O)c1cccc([C@@H]2CN(C(C)=O)CCN2Cc2ccccc2OC2CCCC2)c1 585261958 NJIWKHYCCVGPFL-DEOSSOPVSA-N 435.568 3.773 0 40 IHAB Cc1cc(Nc2ncc(C)s2)nc(C2CCN(C(=O)[C@@H](N)Cc3ccccc3)CC2)n1 585263615 VROBORVNRIENJD-IBGZPJMESA-N 436.585 3.570 0 40 IHAB CC(C)(NC(=O)c1ccccc1F)C(=O)N1CCOC[C@@H](Cc2ccc3ccncc3c2)C1 1848352777 MXVHUYYSOMVZLZ-IBGZPJMESA-N 449.526 3.600 0 40 IHAB C[C@H]1CC[C@H](C(=O)N2CCO[C@]3(C2)C(=O)N(Cc2cccnc2)C[C@H]3c2ccccc2)CC1 2055793408 ZAUHGGYERGYKFO-GGHZGINBSA-N 447.579 3.632 0 40 IHAB O=C1N(c2ccc(Br)cc2)[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1 1019920 GGYOGWRQNSLJHA-HOTGVXAUSA-N 441.734 3.715 0 40 IHAB O=C1NC(=S)NC(=O)C12[C@@H](c1ccccc1Cl)CC(O)C[C@@H]2c1ccccc1Cl 1088744 SLPDYKWWIFNZBN-HUUCEWRRSA-N 449.359 3.533 0 40 IHAB CCOC(=O)C1=C(C)N=c2s/c(=C\C=C\c3ccccc3)c(=O)n2[C@H]1c1ccccc1F 2262060 JYQZTQHUKCMYFI-NISYOBGNSA-N 448.519 3.603 0 40 IHAB COC(=O)c1c(NC(=O)CSc2nnc(C)n2-c2ccccc2)sc2c1CCC2 3291430 WVLKMCKVLHZBGA-UHFFFAOYSA-N 428.539 3.643 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)cc2)Cc2ccco2)cc1 3318432 GPHHBSWGYFTQGD-UHFFFAOYSA-N 432.473 3.647 0 40 IHAB COCCn1c(SCC(=O)c2ccc(OC)cc2)nc2sc3c(c2c1=O)CCC3 6905286 YJNCYEPLRCNHTG-UHFFFAOYSA-N 430.551 3.577 0 40 IHAB O=S(=O)(c1ccccc1)N1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1 8692779 LSSSNXOMXMKVDH-UHFFFAOYSA-N 436.562 3.869 0 40 IHAB CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)c1C 9120085 MKLVHUMMQRDIRG-ZIAGYGMSSA-N 431.558 3.753 0 40 IHAB CCOc1ncccc1C(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2OC)c1 9285237 LWASJSWQVVAXGO-UHFFFAOYSA-N 427.482 3.542 0 40 IHAB Cc1nc(COC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)cs1 9461922 SRZFKWKXDLWLCZ-UHFFFAOYSA-N 436.599 3.893 0 40 IHAB CCOC(=O)c1c(C)[nH]c(C(=O)COc2ccccc2C(=O)NCc2ccccc2)c1C 9467491 SEXWFHBWFNRWEC-UHFFFAOYSA-N 434.492 4.000 0 40 IHAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)N1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O 9478429 QOCBXDQDYBSXRK-JCQPUDPBSA-N 441.915 3.632 0 40 IHAB CCN(CC)C(=O)Cn1cc(C(=O)C(=O)NCCc2c[nH]c3ccccc23)c2ccccc21 9518838 PUUJXXMNZHPLNL-UHFFFAOYSA-N 444.535 3.533 0 40 IHAB NS(=O)(=O)c1ccc(NC(=O)Cc2cn(Cc3ccc(F)cc3)c3ccccc23)cc1 9523809 XTAIWHYCFJJFMR-UHFFFAOYSA-N 437.496 3.657 0 40 IHAB CCOC(=O)Cc1csc(NC(=O)Cc2csc(NC(=O)Nc3ccccc3)n2)n1 9784622 JZWXKIHMMZULLA-UHFFFAOYSA-N 445.526 3.530 0 40 IHAB CN(Cc1cccc(Cl)c1)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 9801055 BCJCXOBMTAYGHU-UHFFFAOYSA-N 435.977 3.856 0 40 IHAB CCc1ccc(NC(=O)[C@@H]2CN(S(=O)(=O)Cc3ccccc3)c3ccccc3O2)cc1 10009320 GRKMUDLWQPJIDJ-QHCPKHFHSA-N 436.533 3.985 0 40 IHAB O=C(CNC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)Nc1ccc(F)c(F)c1 10219589 JMHSUVIUMFDHJX-UHFFFAOYSA-N 433.418 3.581 0 40 IHAB CCOC(=O)c1cnc2c(C(=O)OC)cccc2c1Nc1ccc(N2CCOCC2)cc1 12082536 YELSKZGHXZJMMZ-UHFFFAOYSA-N 435.480 3.778 0 40 IHAB Cc1ncc(-c2ccncc2)c([C@@H]2CCCN(C(=O)C[C@@H]3OC(=O)c4ccccc43)C2)n1 12088630 HIMHIOKBPBRRGG-GCJKJVERSA-N 428.492 3.855 0 40 IHAB Cc1ccccc1-n1ncc2c(=O)n(CC(=O)Nc3cccc(C(F)(F)F)c3)cnc21 12237635 GMAGBZWHEISIES-UHFFFAOYSA-N 427.386 3.548 0 40 IHAB COc1ccccc1NS(=O)(=O)c1cc(NC(=O)[C@@H]2Cc3ccccc3O2)ccc1C 12536192 SJFTXKZZSGZBCT-NRFANRHFSA-N 438.505 3.747 0 40 IHAB CCOC(=O)Nc1nc(CC(=O)N2CCN(c3cccc(Cl)c3Cl)CC2)cs1 12634758 YNODJFAATIJSBM-UHFFFAOYSA-N 443.356 3.910 0 40 IHAB O=C(CCNC(=O)c1ccco1)Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1 12749146 APFOUPQTQCQMND-UHFFFAOYSA-N 439.415 3.984 0 40 IHAB CCOc1ccc([C@@H](CNC(=O)c2cc(Cl)ccc2OC)N2CCOCC2)cc1OC 12781975 ULTBZDQDFGJTHH-LJQANCHMSA-N 448.947 3.559 0 40 IHAB C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C 12797724 ZZKURXAWZTXLPO-KGLIPLIRSA-N 446.910 3.502 0 40 IHAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cccc(I)c1 12894720 CWPVJKQJCUYDPP-ZDUSSCGKSA-N 432.265 3.705 0 40 IHAB Cc1nc2c(=O)n(CC(=O)Nc3cccc(Br)c3)nc(-c3ccco3)c2s1 13010604 VGGKHRFDSSZLCG-UHFFFAOYSA-N 445.298 3.823 0 40 IHAB CCCN(CC(=O)Nc1ccccc1C)C(=O)C1=NN(c2cc(C)ccc2C)C(=O)CC1 13021191 AOQMWBCQPLVWRR-UHFFFAOYSA-N 434.540 3.972 0 40 IHAB COc1ccc(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1S(=O)(=O)NC(C)C 13110166 UORZSOFXGLQBIC-SCUMNGBJSA-N 434.602 3.717 0 40 IHAB COCCn1c(Cc2ccccc2)nnc1SCc1nnc(-c2ccc(F)cc2)o1 13145547 ARNSTIANPSEKTR-UHFFFAOYSA-N 425.489 3.997 0 40 IHAB COc1cccc(N2CCN([C@@H](c3ccccc3F)c3nnnn3C3CCCC3)CC2)c1 13503946 HKKKVMHAMNOCJS-QHCPKHFHSA-N 436.535 3.848 0 40 IHAB CCCc1cc(=O)oc2cc(OCC(=O)Nc3ccc(CN4CCOCC4)cc3)ccc12 13592566 ZGXNXZDEHGSLKS-UHFFFAOYSA-N 436.508 3.595 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCSc3ccc(Cl)cc3)CC2)cc1 13668948 AFJVZTKELWBEDM-UHFFFAOYSA-N 439.002 3.664 0 40 IHAB COc1ccc(N2C[C@H](c3nnc(NC(=O)CSc4ccccc4)s3)CC2=O)cc1 13944459 QNNCJXCSRINCQE-CQSZACIVSA-N 440.550 3.798 0 40 IHAB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CSc2nnc(C3CC3)o2)c1 14141913 ZQLGYAPGOARWHD-UHFFFAOYSA-N 444.538 3.503 0 40 IHAB COc1ccccc1-c1nn(CC(=O)NCc2ccc(C)cc2)c(=S)n1-n1cccc1 16807112 IXTUJNIOEMKEAR-UHFFFAOYSA-N 433.537 3.827 0 40 IHAB CCOc1cccc(C(=O)NC(=S)Nc2ccccc2-c2nn3c(C)nnc3s2)c1 17102344 YWVHGMXBYVMTFW-UHFFFAOYSA-N 438.538 3.687 0 40 IHAB CCCS(=O)(=O)N1CCCc2cc(NC(=O)c3ccc(Br)o3)ccc21 17286860 PTQXAUHJEHWDHF-UHFFFAOYSA-N 427.320 3.787 0 40 IHAB CN(CC(=O)NCCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O)Cc1ccsc1 17307679 CASUUDOTTBOGKN-YVLHZVERSA-N 449.985 3.686 0 40 IHAB Cc1ccc(SCCC(=O)OCC(=O)N(C)CC(=O)Nc2c(C)cccc2C)cc1 18248021 NFJFBUFWDBQERZ-UHFFFAOYSA-N 428.554 3.734 0 40 IHAB NC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)CCc2ccccc2)CCO1 19370835 XNZLKQHDVROJGS-HHHXNRCGSA-N 428.532 3.612 0 40 IHAB O=S1(=O)N=C([C@H]2CCCN(Cc3ccnc(-c4ccccc4)n3)C2)Nc2ccccc21 19374399 CNPHZOZKWYPRTQ-SFHVURJKSA-N 433.537 3.569 0 40 IHAB CCc1nn(C)c(C(=O)N2CCO[C@H](c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)c1C 19521029 LIXJGUBLZDQSNA-INIZCTEOSA-N 449.433 3.573 0 40 IHAB COc1cccc(CC(=O)N2CCNC(=O)[C@@H](Cc3cccc(-c4ccc(F)cc4)c3)C2)c1 19564369 AGBCAGDZWFALJS-QHCPKHFHSA-N 446.522 3.861 0 40 IHAB Cc1nc([C@H]2CCCN2C(=O)c2cccnc2)nc2c1CCC(=O)N2Cc1ccccc1 19696379 MFVMAOCHOCDZSM-OAQYLSRUSA-N 427.508 3.637 0 40 IHAB CCc1nn2c(nnc3c(=O)n(-c4cc(OC)ccc4OC)ccc32)c1-c1ccccc1 19818972 ONYQHVOLJJKKQW-UHFFFAOYSA-N 427.464 3.675 0 40 IHAB COC(=O)c1cccc(NC(=O)N2CCc3nc[nH]c3[C@H]2c2ccc(F)c(F)c2F)c1 20717144 MZDWBUSPGVBIRB-LJQANCHMSA-N 430.386 3.793 0 40 IHAB C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)c3cncn3-c3ccc(F)cc3)cc2)C1 21339054 VDKYLWKCBPUIRY-INIZCTEOSA-N 442.516 3.684 0 40 IHAB CC[C@@H](C)c1ccc(-n2c(SCC(=O)N3CCNC3=O)nc3ccccc3c2=O)cc1 21464506 GVIMOFAFZZCNRK-OAHLLOKOSA-N 436.537 3.543 0 40 IHAB Cc1cc(=O)n2nc(CSc3nnc(Cc4ccccc4)n3-c3ccccc3)sc2n1 21825308 KTMVRAJGNQDWMK-UHFFFAOYSA-N 446.561 3.923 0 40 IHAB O=C(NCc1ccccc1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 22020850 GRTIQZBUTYLJAM-SFHVURJKSA-N 431.467 3.747 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCC2)c2cccc(C(F)(F)F)c2)cc1 22276766 BBTMWWFYUPARNG-UHFFFAOYSA-N 426.460 3.832 0 40 IHAB COc1cc(C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)c(N(C)S(C)(=O)=O)cc1OC 22606221 HHCSXNCXHVPAGY-INIZCTEOSA-N 434.558 3.516 0 40 IHAB COc1cccc(-n2nc(-c3nc(-c4ccc5c(c4)OCO5)no3)c3ccccc3c2=O)c1 23126499 VIZHLXJHADDMRU-UHFFFAOYSA-N 440.415 3.840 0 40 IHAB CCC(=O)Nc1ccc(S(=O)(=O)NCC2CCN(Cc3ccccc3)CC2)c(C)c1 23127654 INGHPAVTYSGDOM-UHFFFAOYSA-N 429.586 3.534 0 40 IHAB CCc1sc2nc(SCCN3CCOC3=O)n(-c3cccc(OC)c3)c(=O)c2c1C 24746627 UJDPFTMKWLZBCS-UHFFFAOYSA-N 445.566 3.871 0 40 IHAB CC(=O)N1CCN(C[C@@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 25329382 GWIFFRCONHCAFV-OAQYLSRUSA-N 437.367 3.624 0 40 IHAB COC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1 25378996 RZFATTRVUYHUML-QFIPXVFZSA-N 432.476 3.949 0 40 IHAB COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)Nc1ccc(NC(=O)c2ccco2)cc1 26989945 UKDKFXZQVWHJHY-AWEZNQCLSA-N 436.468 3.938 0 40 IHAB CCCCOc1ccc(/C=c2\sc3nc(=O)c(Cc4ccccc4)c(C)n3c2=O)cc1 27022836 GECZBFMYGSGKBF-JWGURIENSA-N 432.545 3.742 0 40 IHAB COc1ccc(-c2nnc(S[C@H](C)C(=O)NCc3ccco3)n2C[C@@H]2CCCO2)cc1 28678058 PHWFFGRLNVJGNC-BEFAXECRSA-N 442.541 3.523 0 40 IHAB COCCCNC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1-c1cccc(C)c1 28807548 BGEZVFNKWZBGEJ-UHFFFAOYSA-N 431.583 3.617 0 40 IHAB O=C1C(=O)N(Cc2ccccc2)C(=O)N1CC(=O)N1c2ccccc2Sc2ccccc21 31706146 PJVFGMNRAZRACE-UHFFFAOYSA-N 443.484 3.807 0 40 IHAB CCN(C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)OC)c1ccccc1 32069170 VAAUOUWBAOPGLI-FCHUYYIVSA-N 439.556 3.538 0 40 IHAB CC(=O)Nc1cccc(Nc2nnc(SCCN3C(=O)c4ccccc4C3=O)s2)c1 32778990 ZNUZNLPDSUWRRQ-UHFFFAOYSA-N 439.522 3.628 0 40 IHAB O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/c2ccc(Br)o2)SC1=S 35648561 JKXPSLRGOINWPI-VWLVURMCSA-N 438.324 3.939 0 40 IHAB CC(C)[C@H](CO)NC(=O)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 36575829 CPBNLIHBFKCVBZ-UKILVPOCSA-N 430.548 3.809 0 40 IHAB COC(=O)c1ccc(CSc2nc3c(cnn3Cc3cccc(Cl)c3)c(=O)[nH]2)cc1 36712363 MBTIYXHWIKBXJQ-UHFFFAOYSA-N 440.912 3.900 0 40 IHAB Cc1ccc([C@H](NCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2)cc1 57380640 WCROMFFJWBYATL-XMMPIXPASA-N 431.492 3.794 0 40 IHAB O=C(Cn1c(=O)cc(C(=O)N2CCCCC2)c2ccccc21)Nc1ccc(F)c(F)c1 67318784 OHFRUDRPWGLVPX-UHFFFAOYSA-N 425.435 3.545 0 40 IHAB O=C(O)[C@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1ccc(Cl)c(Cl)c1 71980617 GRRLZPPUIHXKRY-LJQANCHMSA-N 449.334 3.911 0 40 IHAB Cc1ccc(CNC(=O)C2CCN(C(=O)[C@@](C)(c3ccc(F)cc3)N(C)C)CC2)cc1F 72301553 INWMREOBHDUHPJ-RUZDIDTESA-N 443.538 3.605 0 40 IHAB CNc1cc([C@H]2CC(=O)N(Cc3ccccc3)C2)nc(CN(C)C(=O)C2CCCCC2)n1 72391847 IUHFOYHHDXVRIO-FQEVSTJZSA-N 435.572 3.573 0 40 IHAB Cc1ccc(CNC(=O)COC(=O)c2[nH]nc(-c3ccccc3)c2Br)cc1 84148844 MTMDLWIDIRRQOZ-UHFFFAOYSA-N 428.286 3.621 0 40 IHAB CC1(C)C[C@H](n2nc(O)c3c2NC(=O)CS[C@@H]3c2cc(F)c(F)c(F)c2)CCO1 96116739 IOSIRUUPLUAGQV-QLJPJBMISA-N 427.448 3.911 0 40 IHAB COc1cccc(-c2noc(CN(C)C(=O)c3ccccc3I)n2)c1 96234428 RWQJLOMJQZAZET-UHFFFAOYSA-N 449.248 3.622 0 40 IHAB CCn1ncc(S(=O)(=O)N2[C@H](COc3cccc(C(F)(F)F)c3)[C@@H]3CC[C@@H]2C3)c1C 100112701 JKCFMHKYXRRNTE-QGPMSJSTSA-N 443.491 3.851 0 40 IHAB CCCON1C(=O)[C@@H]2[C@@H](C1=O)[C@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl 104205059 QZCCUIFTKHYFJX-XNPHGXEZSA-N 427.926 3.775 0 40 IHAB C[C@@H](C(=O)Nc1ccc(Br)cc1F)N(c1ccccc1F)S(C)(=O)=O 220308162 KKCNDZOLPMPRHK-JTQLQIEISA-N 433.274 3.521 0 40 IHAB CS(=O)(=O)N(CCCC(=O)Nc1ccc2c(c1)OCO2)c1cccc(C(F)(F)F)c1 222624672 HHLBOMCFTWEOFC-UHFFFAOYSA-N 444.431 3.619 0 40 IHAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc2c(c1)OCCO2 222651556 PGEPYGKXYUQJQE-NRFANRHFSA-N 442.531 3.862 0 40 IHAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCc1nc(-c2ccc(OC)cc2OC)no1 222973378 PHTGQUMAMRDYER-GOSISDBHSA-N 425.485 3.844 0 40 IHAB CC[C@@H](NC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C)c1ccc2c(c1)CCCC2 223090993 FLZJMJNCGGOVRR-OAQYLSRUSA-N 447.576 3.585 0 40 IHAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(OC)c(OC)c1 223762477 XILSJLCIDLFNFH-MRXNPFEDSA-N 432.948 3.843 0 40 IHAB CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccc(OC)cc1 223968670 RCSWCVUZFLTOBU-INIZCTEOSA-N 447.373 3.944 0 40 IHAB COc1ccc(CN(C(=O)COc2ccccc2OC)[C@@H](C)C(=O)NC2CCCC2)cc1 224046306 ABCIYRWUDHGQBK-SFHVURJKSA-N 440.540 3.559 0 40 IHAB COc1ccc(CCNC(=O)c2cccc(S(=O)(=O)N(C)c3cccc(C)c3)c2)cc1 224132968 AUNROXGWBIQYGG-UHFFFAOYSA-N 438.549 3.801 0 40 IHAB COc1cccc(OCCNC(=O)CCCN(c2ccc(C(C)C)cc2)S(C)(=O)=O)c1 224665127 UUJJAKQLXKGWNS-UHFFFAOYSA-N 448.585 3.560 0 40 IHAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1cc(Cl)ccc1OC 225213754 KLKGTKLYHMKDPU-KRWDZBQOSA-N 426.922 3.541 0 40 IHAB CN(Cc1nc(-c2cccc(Br)c2)no1)C(=O)c1ccc2c(c1)OCCO2 225405837 PMYAZFNOMGYQSO-UHFFFAOYSA-N 430.258 3.543 0 40 IHAB Cc1ccc(CNC(=S)Nc2nc(Oc3ccccc3)cc(N3CCOCC3)n2)cc1 225943606 LSVVYHXLUJXPRN-UHFFFAOYSA-N 435.553 3.901 0 40 IHAB Cc1nc([C@H]2CCN(C(=O)CC(C)C)C2)nc2c1CCC(=O)N2CCc1ccccc1F 257208877 BNWQLPCDFBDDNO-IBGZPJMESA-N 438.547 3.808 0 40 IHAB CCNC(=O)C1(Cc2ccc(-c3ccncc3)cc2)CCN(C(=O)c2ccccn2)CC1 257230561 GCWILUUVRGYWNV-UHFFFAOYSA-N 428.536 3.745 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](C)c3ccc4c(c3)CCC4)C2)cc1 260937225 PRGMSIBJTGESPW-XMSQKQJNSA-N 426.582 3.762 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1 408555684 HDNVQGFAPCMTKO-UHFFFAOYSA-N 444.553 3.989 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1 408610887 UXVPHNCKGQREFU-VIFPVBQESA-N 437.732 3.961 0 40 IHAB COC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2C(=O)c2ccc(OC)cc2)cc1 408648769 ZKAXYRRTLDOAGF-UHFFFAOYSA-N 447.443 3.508 0 40 IHAB CCc1cccc(CC)c1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 408650933 AIJFQHVZNGFVHM-QGZVFWFLSA-N 428.916 4.000 0 40 IHAB CCOc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1NC(=O)CC 408697133 HULFUCPBEWKVLV-UHFFFAOYSA-N 427.320 3.997 0 40 IHAB Cc1ccc(CSCc2nnc(SCC(=O)Nc3cccc(C(=O)O)c3)n2C)cc1 409360781 NHONTVYIHCDVLR-UHFFFAOYSA-N 442.566 3.986 0 40 IHAB O=C(Cc1ccccc1Br)N1CCC[C@H](n2cnc3ccccc3c2=O)C1 575615831 GNSYWIGMOKHISC-INIZCTEOSA-N 426.314 3.565 0 40 IHAB O=C(N1CCOC[C@H](Cc2cccc3[nH]ncc23)C1)C1(Cc2ccccc2)CCOCC1 585261769 IOKGVNIWIMSQLT-OAQYLSRUSA-N 433.552 3.620 0 40 IHAB CN(CC(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)C[C@@H]1CCn2ccnc2C1 685576701 ZEDCGZHDANEXID-OFNKIYASSA-N 441.579 3.807 0 40 IHAB CC(=O)N1CCC(N2CCC3(CC2)C[C@H](Cc2ccc(F)cc2)N(CC(C)C)C3=O)CC1 1615155734 PWHYFEOEGBIVHE-DEOSSOPVSA-N 443.607 3.718 0 40 IHAB Cc1cc(C(=O)N2CCC(COc3ccc4nc(C(C)(C)C)cn4n3)CC2)ncc1F 1888890679 XPTVECJFRNZRBU-UHFFFAOYSA-N 425.508 3.801 0 40 IHAB COc1ccc2c(c1)O[C@@](C)(CCC(=O)O)[C@H]1CC3(CO[C@H]21)CN(C(=O)CC1CCC1)C3 2037875259 MYHYISACDXYUIS-IEXUWNMDSA-N 443.540 3.808 0 40 IHAB COc1ccc(N(CC(=O)N2CCC(C)CC2)S(=O)(=O)c2ccccc2)cc1Cl 886956 OHELSVFOVUYPDC-UHFFFAOYSA-N 436.961 3.802 0 40 IHAB Cc1ccc(N2C(=O)[C@@](NC(=O)c3cccc(Cl)c3)(C(F)(F)F)N=C2O)cc1C 2265079 KEXKOGJAVHZVBA-SFHVURJKSA-N 425.794 3.906 0 40 IHAB COc1ccc(-n2c(N)c(C(=O)NCc3ccco3)c3nc4ccccc4nc32)cc1OC 2290328 BOABDDONSPMESK-UHFFFAOYSA-N 443.463 3.696 0 40 IHAB CCOC(=O)c1c(NC(=O)CSc2ccc3c(c2)OCCO3)sc(C(C)=O)c1C 3489420 KSPMYUPTDSLOHC-UHFFFAOYSA-N 435.523 3.938 0 40 IHAB COc1c(Cl)c2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@H](NC(C)=O)CC2 5461932 ALELANHAGUYPLN-OAHLLOKOSA-N 433.888 3.525 0 40 IHAB COc1ccc2[nH]c(=O)c(CN(CCCO)C(=S)Nc3cccc(Cl)c3)cc2c1 6282510 KNUCVNHJOJWKLI-UHFFFAOYSA-N 431.945 3.772 0 40 IHAB O=C(Nc1ccc(=O)n2c1[C@@H]1C[C@@H](CN(C(=O)c3ccc(F)cc3)C1)C2)C1CCCCC1 8300352 PNOHQRWRQJCWGA-QFBILLFUSA-N 437.515 3.766 0 40 IHAB biogenic,in-vitro O=C(NC[C@H]1CCCO1)[C@@H](c1cccnc1)N(C(=O)Cc1cccs1)c1ccccc1 8667187 ASXLGFHXTXKNCW-NFBKMPQASA-N 435.549 3.755 0 40 IHAB CC(=O)Nc1ccc(NC(=O)CSc2nc(CC(=O)NC3CCCCC3)cs2)cc1 8850413 CEXDDFMAQAFYCT-UHFFFAOYSA-N 446.598 3.824 0 40 IHAB CN(Cc1ccc2c(c1)OCCO2)C(=O)CN1CCC[C@@H](c2nc3ccccc3s2)C1 8945566 BHBGHHBPPDZNRD-GOSISDBHSA-N 437.565 3.906 0 40 IHAB C[C@@H](NC(=O)CSc1nc(O)cc(-c2ccccc2)n1)c1ccc2c(c1)OCCCO2 9028257 UVGNSWHASZJEFF-OAHLLOKOSA-N 437.521 3.980 0 40 IHAB CCOc1ccc([C@H]2Nn3c(CC)nnc3S[C@@H]2C(=O)Nc2ccccc2F)cc1 9197483 UDRVOIRHPWJGGO-MOPGFXCFSA-N 427.505 3.776 0 40 IHAB COc1ccc2cc(/C=C/C(=O)OCC(=O)N[C@@H](Cc3ccccc3)C(C)=O)ccc2c1 9219079 AAGFBQFMYFHJNS-JEAXJQIYSA-N 431.488 3.721 0 40 IHAB COc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2cccc(Cl)c2C)cc1 9236786 XKNYSKAAZPANQM-ZWKOTPCHSA-N 429.933 3.955 0 40 IHAB Cc1c(C)n(Cc2ccccc2)c2ncn3nc(CN4C(=O)c5ccccc5C4=O)nc3c12 9305762 GYOKLCODJCFRBU-UHFFFAOYSA-N 436.475 3.540 0 40 IHAB CC1(C)CC(=O)c2c(O)cc(OCC(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2O1 9305909 VXUOLRRKTMAFSJ-UHFFFAOYSA-N 444.915 3.517 0 40 IHAB Cc1cccc(Cn2c(=O)c3c(nc4n3C[C@@H](C)CN4c3cccc(Cl)c3)n(C)c2=O)c1 9519252 YZQHCFRFRNMVCQ-INIZCTEOSA-N 449.942 3.695 0 40 IHAB O=C(NCCCc1ccccc1)C(=O)NC[C@@H](c1cccs1)N1CCc2ccccc21 9708274 PQJXNQPXZNUNKB-QFIPXVFZSA-N 433.577 3.717 0 40 IHAB COc1ccc(F)cc1S(=O)(=O)Nc1cccc(-n2c(C)nc3ccccc3c2=O)c1 9715072 ZSHOISLLXNMXIM-UHFFFAOYSA-N 439.468 3.643 0 40 IHAB O=C(CSc1ccc2ccccc2n1)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 9793502 GUOXXTLAYNPXGS-LJQANCHMSA-N 426.563 3.543 0 40 IHAB COc1ccc(-c2cc(C(=O)Nc3cc(C)ccc3C)nn2[C@H]2CCS(=O)(=O)C2)cc1 11996852 AACNDTTZCAEWGZ-SFHVURJKSA-N 439.537 3.787 0 40 IHAB CCN(CC)C[C@H]1CCCN(C(=O)c2cc(-c3ccncc3)c(N3CCOCC3)s2)C1 12222113 PAFGFMCCIVYVBD-LJQANCHMSA-N 442.629 3.841 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(Cc3c(C)nn(-c4ccccc4)c3Cl)CC2)cc1 12700087 JBBVOAVJXOPZOG-UHFFFAOYSA-N 444.988 3.649 0 40 IHAB COc1ccc(C(=O)N[C@H](C(=O)NC[C@H](c2ccccc2Cl)N(C)C)C(C)C)cc1 12768066 DOKZGVBGPQDYRE-RTWAWAEBSA-N 431.964 3.522 0 40 IHAB COC(=O)c1ccc(C)c(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)c1 12812323 GPNNWCPBOLXWDC-UHFFFAOYSA-N 425.510 3.530 0 40 IHAB O=C(NC1CCCCC1)[C@@H](c1ccccn1)N(C(=O)c1csnn1)c1ccccc1F 12869961 FCOSWHNNSSKQOF-HXUWFJFHSA-N 439.516 3.909 0 40 IHAB CN(CC(=O)Nc1ncc(Cc2ccccc2)s1)S(=O)(=O)/C=C/c1ccccc1 12877530 YBDRSXKPJLUTTO-OUKQBFOZSA-N 427.551 3.605 0 40 IHAB NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1 12995074 VVEOUTMTSZUYGD-DACFSCGWSA-N 448.526 3.991 0 40 IHAB Cc1csc2nc(CNc3cccc(S(=O)(=O)N(C)c4ccccc4)c3)cc(=O)n12 13074243 PRHFEZQXIIZGIB-UHFFFAOYSA-N 440.550 3.502 0 40 IHAB CCOc1ccc(-c2nc(CN3C(=O)N[C@H](Cc4ccccc4)C3=O)cs2)cc1OC 13131314 TXSNQTJMVXEIJY-GOSISDBHSA-N 437.521 3.881 0 40 IHAB O=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2sccc21)Nc1ccccc1Cl 13533461 JELPLHUDLJKHBR-UHFFFAOYSA-N 439.924 3.760 0 40 IHAB CCCCNC(=O)c1ccccc1NC(=O)[C@@H](CC)N(c1ccc(C)cc1)S(C)(=O)=O 13686181 AAEQVXZRZOUDQA-OAQYLSRUSA-N 445.585 3.708 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CC3)cc1OC 13696196 JRWXHDKJVSJQOJ-UHFFFAOYSA-N 444.534 3.769 0 40 IHAB COC(=O)C1=C(C)N=c2s/c(=C/c3cccs3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 13800700 GKTLXYHFVCTQGI-VOMPUTFMSA-N 438.574 3.593 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC2CCCCC2)cc1OC 16680332 BATCGFMMTHPUJL-UHFFFAOYSA-N 432.542 3.815 0 40 IHAB Cc1c(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)oc2ccc(Cl)cc12 16741954 KSOYXQOTIYDRRM-UHFFFAOYSA-N 434.901 3.668 0 40 IHAB CCS(=O)(=O)N1CCc2ccc(NC(=O)COc3ccc(C(C)(C)C)cc3)cc2C1 17316604 AGOLDJSNXPJUCX-UHFFFAOYSA-N 430.570 3.709 0 40 IHAB Cc1ccsc1CN1CCc2nc([C@@H]3CCCN3C(=O)[C@H]3CC=CCC3)[nH]c(=O)c2C1 19238664 DTAQOTVZXUPCDE-PXNSSMCTSA-N 438.597 3.718 0 40 IHAB Cc1cnccc1-c1cn[nH]c1[C@H]1CCCCN1C(=O)c1ccccc1NS(C)(=O)=O 19239604 BLVPUAFMOAOIBA-HXUWFJFHSA-N 439.541 3.519 0 40 IHAB O=C(c1cccc2ccccc12)[C@@H]([C@H](c1ccccc1)N1CCOCC1)N1CCOCC1 19366036 NYOGKFRLXNPOAH-IZZNHLLZSA-N 430.548 3.797 0 40 IHAB O=C(CN1CC[C@H]2[C@@H](C1)[C@H](c1ccc(F)cc1)CN2C(=O)c1ccccc1)NC1CCCC1 19368992 YBAIWFWJAIKNOJ-SDHOMARFSA-N 449.570 3.815 0 40 IHAB CC(C)NC(=O)[C@@H]1CN(Cc2cc3ccccc3o2)C[C@H]1c1ccnc(N2CCCCC2)n1 19449992 PIEXLQBVGAEDSU-FGZHOGPDSA-N 447.583 3.953 0 40 IHAB COc1cc(CN2CCN(C)C(=O)[C@@H](Cc3cccc(-c4cccnc4)c3)C2)cc(OC)c1 19589543 OKUOJKAVLZKNAQ-DEOSSOPVSA-N 445.563 3.899 0 40 IHAB Cc1ncc(C(=O)Nc2ccccc2F)c(CCNC(=O)c2c(C)n(C)c3ccccc23)n1 19697444 ZKPWWIWEVHXJLE-UHFFFAOYSA-N 445.498 3.949 0 40 IHAB CC(C)CNC(=O)c1cc([C@H]2CN(Cc3cccnc3N(C)C)CCO2)nc2ccccc12 19762421 DKDBORBQNAEKEY-XMMPIXPASA-N 447.583 3.655 0 40 IHAB CCc1[nH]c(SCC(=O)Nc2ncc(Br)cc2Br)nc1C 20095076 WHKDHMNLXGFAQW-UHFFFAOYSA-N 434.157 3.931 0 40 IHAB COc1ccc(C)cc1NC(=O)c1nnc2c(-c3ccc(OC)c(OC)c3)c(C)nn2c1C 20633560 SMTDGRTZSZSKMB-UHFFFAOYSA-N 447.495 3.995 0 40 IHAB CCC[C@@H](NC(=O)[C@@H](C)N1CCN(Cc2ccc(OC)c(F)c2)CC1)c1ccccc1 22933823 OQYWRRNZSVGEQP-AUSIDOKSSA-N 427.564 3.998 0 40 IHAB CC(C)(C)NC(=O)CN1CCN(C(=O)c2cc(-c3cccs3)nc3ccccc23)CC1 23645661 DQWJWJCBYQNNEW-UHFFFAOYSA-N 436.581 3.636 0 40 IHAB CCOC(=O)Cc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1Cc1ccccc1 24716358 NDTSAMQMLPWQDU-UHFFFAOYSA-N 438.553 3.780 0 40 IHAB Cc1c(NC(=O)c2cc3cc(Br)ccc3[nH]2)c(=O)n(-c2ccccc2)n1C 24865557 IZGBWWBFNRODTO-UHFFFAOYSA-N 425.286 3.981 0 40 IHAB O=C(CCC(=O)c1ccc2c(c1)OCCO2)NC1CCN(Cc2ccc(Cl)cc2)CC1 32781169 COTCWOHZAMEIRT-UHFFFAOYSA-N 442.943 3.855 0 40 IHAB CCn1c(=O)c2ccccc2n2c(CSc3nnc(C)n3-c3ccccc3C)nnc12 32858189 LTOIBNHZRXZEDE-UHFFFAOYSA-N 431.525 3.554 0 40 IHAB COc1ccc([C@H]2CCCN2C(=O)CCn2cnc3sc(C)c(C)c3c2=O)c(OC)c1 32898868 IDZMDHXPICUXME-GOSISDBHSA-N 441.553 3.846 0 40 IHAB O=C(OCc1nnc(-c2ccccc2)o1)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 32957620 NQDKATISGROKRE-UHFFFAOYSA-N 439.427 3.890 0 40 IHAB Cc1ccc(OCC(=O)Nc2ccc(C)c(OCc3cc(=O)n4ccccc4n3)c2)cc1 33268544 OBGSEYVAYGAQKE-UHFFFAOYSA-N 429.476 3.908 0 40 IHAB CCOC(=O)c1c(CN2CCN(Cc3cn4ccccc4n3)CC2)nc2ccccc2c1C 40033475 GZLCKVWMZZKPRA-UHFFFAOYSA-N 443.551 3.685 0 40 IHAB CCOc1ccc(-c2noc(Cn3nc(-c4ccc(CC)cc4)ccc3=O)n2)cc1OC 49421753 CGSPBGVDEDGTPM-UHFFFAOYSA-N 432.480 3.978 0 40 IHAB Cc1onc(-c2ccccc2Cl)c1C(=O)NCCN1CCN(c2ccc(F)cc2)CC1 56997244 OXRSZSMNYXTIMB-UHFFFAOYSA-N 442.922 3.995 0 40 IHAB COc1ccc(OCCCC(=O)OCC[C@@H]2CCCCN2C(=O)c2cccn2C)cc1 62639936 PFHAPRBKQDQOAU-IBGZPJMESA-N 428.529 3.821 0 40 IHAB CCOc1c(Br)cc(/C=C/C(=O)N[C@H](Cc2ccccc2)C(=O)O)cc1OC 62714732 QKUXTAKCXCLVSP-OAGJVSPASA-N 448.313 3.682 0 40 IHAB CS(=O)(=O)c1nc(C(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)c2ccccn12 69738933 IKVSROXHUHUOBU-UHFFFAOYSA-N 429.885 3.581 0 40 IHAB Cc1nc([C@@H]2CCCN2C(=O)c2cnccn2)nc2c1CCCN2Cc1ccc(F)cc1 72373770 QLOXTHNDSMHXHT-NRFANRHFSA-N 432.503 3.644 0 40 IHAB COc1ccccc1CNC(=O)c1cc([C@@H]2CCN(C(=O)Nc3ccc(F)cc3)C2)n[nH]1 72375097 BCJZEVLNOHTUQB-MRXNPFEDSA-N 437.475 3.509 0 40 IHAB Cc1ccc(O[C@H](C)C(=O)N2CCC([C@@H]3C[C@H](C(F)F)n4ncnc4N3)CC2)c(C)c1 72395676 IOEUUSMRJNCNTL-BPQIPLTHSA-N 433.503 3.591 0 40 IHAB COc1ccc(-n2ccc(C(=O)N[C@H](C)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2)cc1 95393869 VKKNHQYVQHYCQE-IAGOWNOFSA-N 428.533 3.646 0 40 IHAB COc1ccc(/N=c2\scc(CN3CCN(C(C)=O)CC3)n2Cc2ccccc2)cc1 101533733 LXOKHJNLQUMQKB-IZHYLOQSSA-N 436.581 3.503 0 40 IHAB Cc1ccc(C)c(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1 102086428 HONXHCHJQHOCID-IWGWFBSKSA-N 440.543 3.906 0 40 IHAB CCOc1cc([C@@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)ccc1O 102752414 OSVXOABBDNRLRR-WXFUMESZSA-N 444.487 3.838 0 40 IHAB COc1ccc(CCNc2ccc(C(=O)O)cc2S(=O)(=O)Nc2ccccc2)cc1 217504962 GKCZIUYIMDJIAA-UHFFFAOYSA-N 426.494 3.849 0 40 IHAB Cc1ccc(OCCNC(=O)C2=C(c3ccccc3)c3ccccc3N(C)S2(=O)=O)cc1 219181678 HYVVKDGSUMOXJY-UHFFFAOYSA-N 448.544 3.729 0 40 IHAB CC[C@@H](NS(=O)(=O)c1cc(Br)ccc1OC)c1ccc(OC)c(OC)c1 223873354 AENNQLBYQPNZTK-CQSZACIVSA-N 444.347 3.905 0 40 IHAB COc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCSCc3ccco3)c2)cc1 224040269 UORLMSWFERZTCZ-UHFFFAOYSA-N 446.550 3.752 0 40 IHAB COC(=O)c1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)c(C)c2)cc1 224190486 BMSDXAXZXMRPIE-UHFFFAOYSA-N 438.505 3.859 0 40 IHAB COc1cccc(CN(C(=O)COc2ccccc2Cl)[C@H](C)C(=O)NCC(C)C)c1 224443177 CJPFCQZZRSKHTI-QGZVFWFLSA-N 432.948 3.917 0 40 IHAB COc1ccc(CCC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NC(C)C)cc1OC 225531231 LYWJVIPZBRMTKT-LJQANCHMSA-N 426.557 3.887 0 40 IHAB COc1cccc(C(=O)N(CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]45)[C@H]3C2=O)c2ccccc2C)c1 226408243 YHRFHSKJRRFPRY-MUWCXKAGSA-N 442.515 3.661 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccnc(OC2CCCC2)c1 245174458 YNEZJLVQMQYZFS-UHFFFAOYSA-N 444.538 3.913 0 40 IHAB O=C(c1ccccc1Cn1cccn1)N1CCOC[C@H](Cc2ccc3cnccc3c2)C1 257242932 IETZLAXIVBFAKX-OAQYLSRUSA-N 426.520 3.811 0 40 IHAB CC(C)(C)NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1 408550579 DMZUPKIMOHNIFA-UHFFFAOYSA-N 441.347 3.543 0 40 IHAB COc1ccc(CN(C)S(=O)(=O)c2ccc(C)c(C(=O)NC3CCCCC3)c2)cc1 408594459 SEVHATXVNYFXAI-UHFFFAOYSA-N 430.570 3.887 0 40 IHAB CC(C)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1 408600381 ALWUTBGGJLDWCQ-ZDUSSCGKSA-N 430.448 3.798 0 40 IHAB CCc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)c2)cc1 408669558 WMIYSTIMOIFGDF-NHCUHLMSSA-N 434.492 3.724 0 40 IHAB COC(=O)c1ccccc1NC(=O)c1ccc(NC(=O)c2c(OC)cccc2OC)cc1 408676551 DIAVHLAGEWBWQJ-UHFFFAOYSA-N 434.448 3.995 0 40 IHAB O=C(O)CCc1ccc(-c2cccs2)n1NC(=O)C[C@H]1Sc2ccccc2NC1=O 408969535 PSLZZWXHMVVZDL-GOSISDBHSA-N 441.534 3.807 0 40 IHAB CC(C)CNC(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 408972280 QRNQXMCFAMHBSM-UHFFFAOYSA-N 429.369 3.957 0 40 IHAB CN(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 409392617 SDXUJSJGIWXSOY-UHFFFAOYSA-N 428.485 3.664 0 40 IHAB CCN1CCN(C(=O)c2cccc(OC)c2)[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O 585169012 LZKHNQHOEBLCNF-XMMPIXPASA-N 429.520 3.673 0 40 IHAB CNC(=O)c1cnn([C@H]2CCCN(C(=O)C(C)(c3ccccc3)c3ccccc3)CC2)c1 585261747 FNUWBMXMDNWBHR-QHCPKHFHSA-N 430.552 3.803 0 40 IHAB CC[C@H](C)[C@@H]1NC(=O)C2(CCCCOCCCNC1=O)CCN(CCC(C)(C)C)CC2 643581538 MFSWTLZWPCMAGH-SFTDATJTSA-N 437.669 3.743 0 40 IHAB COC(=O)c1cnc(SC[C@@H]2CCCOC2)n(-c2ccc(C(F)(F)F)cc2)c1=O 2087066477 DYXSWCMFENUYIC-GFCCVEGCSA-N 428.432 3.557 0 40 IHAB CCn1c(CNc2ccc(F)cc2)nnc1SCC(=O)Nc1cc(OC)ccc1OC 873159 HJOAIOKXFVRDAL-UHFFFAOYSA-N 445.520 3.797 0 40 IHAB COc1ccccc1CNC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 879012 WNNRZOCOOCUVJK-UHFFFAOYSA-N 444.940 3.860 0 40 IHAB CC[C@@H]1Oc2ccc(C)cc2N(CC(=O)N(Cc2ccc(F)cc2)C[C@@H]2CCCO2)C1=O 1362354 AYPDTDZCHWAETA-UNMCSNQZSA-N 440.515 3.846 0 40 IHAB CCc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)c(Cl)c3)C2)cc1 1364020 WDHGICJBSKQRJV-INIZCTEOSA-N 436.961 3.950 0 40 IHAB CC[C@H](C)N1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc(OC)c(OC)c2)C1=O 2154332 TWOWLNZKJAGDBM-PCKXHRCSSA-N 447.535 3.669 0 40 IHAB biogenic CC(C)Oc1ccc(C(=O)N[C@@]2(C(F)(F)F)NC(=O)N(CC3CCCCC3)C2=O)cc1 2333083 VCNQYLMZFJVUCI-HXUWFJFHSA-N 441.450 3.594 0 40 IHAB O=S(=O)(Nc1nc2ccccc2nc1Nc1ccc2c(c1)OCO2)c1cccs1 2394512 QPSHLZWUJGSDAG-UHFFFAOYSA-N 426.479 3.964 0 40 IHAB COC[C@H](C)n1c(SCC(=O)NCc2ccccc2Cl)nc2ccccc2c1=O 3244358 FAAWGLXKABMGLW-AWEZNQCLSA-N 431.945 3.666 0 40 IHAB CC(=O)NS(=O)(=O)c1ccc(NC(=O)CCCSc2nc3ccccc3s2)cc1 3299433 RPWCASATQSJJJL-UHFFFAOYSA-N 449.579 3.632 0 40 IHAB O=C(Nc1ccc(=O)n2c1[C@@H]1C[C@@H](CN(C(=O)NC3CCCCC3)C1)C2)c1ccccc1 5441004 QCOWHHZTUOAFKO-PKOBYXMFSA-N 434.540 3.562 0 40 IHAB biogenic,in-vitro COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(I)cc1F 8831300 VJXQCNBOSDOMGE-UHFFFAOYSA-N 444.269 3.874 0 40 IHAB CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2cc(Cl)ccc2OC)C1=O 9125167 OMSFUPRVZNHDME-FQEVSTJZSA-N 436.295 3.798 0 40 IHAB COc1ccc(-n2c(SCC(=O)N3CCCC3=O)nnc2-c2ccccc2)cc1Cl 9507266 NULWJIJFWFOIPJ-UHFFFAOYSA-N 442.928 3.837 0 40 IHAB Cc1ccc(Nc2cc(C)nc(N3CCN(C(=O)[C@@H](C)Oc4ccccc4)CC3)n2)cc1 9573240 XMUUCKYZDGIASD-HXUWFJFHSA-N 431.540 3.953 0 40 IHAB Cc1cc(C(=O)Cn2cnc3ccccc3c2=O)c(C)n1C[C@@H]1COc2ccccc2O1 9595935 UBZCAAKLUCAMFF-GOSISDBHSA-N 429.476 3.538 0 40 IHAB CCc1cccc2sc(N(CCN(C)C)C(=O)c3cccc(S(=O)(=O)CC)c3)nc12 9707954 ZZINFQQHOCTBHS-UHFFFAOYSA-N 445.610 3.861 0 40 IHAB O=C(Nc1ccc(F)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 9974409 KKAKIQYSNNZXEW-CYBMUJFWSA-N 441.322 3.628 0 40 IHAB C[C@H]1CN(C(=O)c2cc3cc(Br)cc(Br)c3oc2=O)C[C@H](C)O1 10013974 BLIHUZYNQFKCSS-IUCAKERBSA-N 445.107 3.567 0 40 IHAB COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2C)CC1 10302986 NNQNELVTKVAMSV-UHFFFAOYSA-N 440.924 3.836 0 40 IHAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)c1C 10443539 XWNCUABRGBFSBN-QGZVFWFLSA-N 432.542 3.582 0 40 IHAB CCn1c(NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)nc2ccccc21 10650984 JTXHVZRPAPVWIA-IBGZPJMESA-N 428.558 3.696 0 40 IHAB Cc1cc(O[C@@H](C)C(=O)N[C@H](C(=O)O)c2ccccc2)c2c3c(c(=O)oc2c1)CCCC3 11866842 YXBWADHCHFVGLL-NYHFZMIOSA-N 435.476 3.690 0 40 IHAB CC(=O)N[C@H](CC(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1cccs1 12270364 FCNYMIXCGPNPKC-CQSZACIVSA-N 429.523 3.849 0 40 IHAB C[C@@H](NC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)c1nc2ccccc2n1C(F)F 12507203 VPBYAMUJCMDQCG-TWLOVUBOSA-N 430.499 3.941 0 40 IHAB Cc1ccc(NC(=O)CN(C)Cc2ccccc2N2CCOCC2)cc1Br 12554990 SIKDZBFKVWUNFU-UHFFFAOYSA-N 432.362 3.665 0 40 IHAB Cc1noc(C)c1S(=O)(=O)N[C@H](C)c1cnn(-c2cccc(C(F)(F)F)c2)c1C 12887721 JMMWUYTXHYDHSG-SNVBAGLBSA-N 428.436 3.844 0 40 IHAB COc1ccc(C)cc1/C=C/C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 13149568 GSNNTKXWSLQGBS-XYOKQWHBSA-N 444.553 3.839 0 40 IHAB O=C1C[C@H](Nc2ccc3cc[nH]c3c2)C(=O)N1c1ccc(I)cc1 13577272 XQLKEXFYPRPEDF-INIZCTEOSA-N 431.233 3.517 0 40 IHAB COc1ccc(OC)c(-c2noc(CN([C@@H]3CCCc4ccccc43)S(C)(=O)=O)n2)c1 13607768 OWAONOQNFSCIJP-LJQANCHMSA-N 443.525 3.593 0 40 IHAB C[C@@H](C(=O)NCCSCc1ccccc1F)N1c2cccc3cccc(c23)S1(=O)=O 13667641 WTZHZMAMAGPUDU-HNNXBMFYSA-N 444.553 3.926 0 40 IHAB COc1ccc(C(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)s2)cc1 13944245 FIDUFXDWFRWTRE-CYBMUJFWSA-N 428.901 3.973 0 40 IHAB COc1cc(C(=O)N[C@@H](C)c2cc(F)c(Cl)cc2Cl)cc(OC)c1OCC(N)=O 14015273 QNKRNBNNALOLAP-VIFPVBQESA-N 445.274 3.505 0 40 IHAB Cc1cccc2c(=O)n(CCCC(=O)Nc3nc(CN4CCC(C)CC4)cs3)cnc12 14527980 RSLCWXWRZZSLCP-UHFFFAOYSA-N 439.585 3.812 0 40 IHAB CCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)NCc3ccc(OC)c(OC)c3)ccc12 15370734 WUZXMIULODZSPT-HNNXBMFYSA-N 425.481 3.846 0 40 IHAB CCOc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2NCCc2ccccn2)cc1 16097382 WKVARYJBMMKCRQ-UHFFFAOYSA-N 449.536 3.879 0 40 IHAB COc1ccc(OC)c([C@H]2CCCN2C(=O)CSc2nnnn2C2CCCCC2)c1 16295538 KRBUNDAWUKFIAT-GOSISDBHSA-N 431.562 3.651 0 40 IHAB COc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCN(C)C)cc1OC 16752082 IGDIHKIWMGUBBK-QFIPXVFZSA-N 436.508 3.616 0 40 IHAB Cc1ccc(C)c(OCC(=O)N[C@H]2CCCC[C@H]2NC(=O)COc2cc(C)ccc2C)c1 17102649 FUGXZDRQTPNBAF-SZPZYZBQSA-N 438.568 3.922 0 40 IHAB O=C(NC1CC1)c1ccc(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1 18229960 ODSHDWNGNGISJL-XIGIHCPSSA-N 434.495 3.975 0 40 IHAB COc1ccc(-c2nnc([C@H](C)OC(=O)C[C@H]3Sc4ccccc4NC3=O)o2)cc1 18480246 MOUXSMXOEDZANZ-YVEFUNNKSA-N 425.466 3.853 0 40 IHAB CC(C)(C)c1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@@H]1CCCN(C(=O)COc3cccnc3)C1)N2 19084052 APNIBJXZOFQTGU-BPQIPLTHSA-N 447.530 3.884 0 40 IHAB CCc1cc(C(=O)N2CCC[C@@H]2c2nc(O)c3c(n2)CCN(CC2CCCCC2)C3)no1 19522647 RYGZEXIEPTWQRP-OAQYLSRUSA-N 439.560 3.648 0 40 IHAB CCn1c(CN2CCNC(=O)[C@@H](Cc3ccccc3-c3cccnc3)C2)nc2ccccc21 19524308 VHZHKAVGGLLVFB-QFIPXVFZSA-N 439.563 3.909 0 40 IHAB Cc1noc(CCC(=O)N2CCC[C@H]2c2nc(N(C)C)ncc2-c2ccc(Cl)cc2)n1 19689903 NAZSHRJMDBQMDG-SFHVURJKSA-N 440.935 3.851 0 40 IHAB CC[C@H](C(=O)N1CCC(c2nc(N(C)C)ncc2-c2ccc(F)cc2)CC1)N1CCCC1 19695284 QRFRFIDOIMOUPE-JOCHJYFZSA-N 439.579 3.929 0 40 IHAB Cc1ncc(C(=O)N2CCC[C@@H](c3ccc(C(=O)Nc4ccc(F)cc4)cn3)C2)c(C)n1 19705574 NQQWHWSUVLGJJZ-GOSISDBHSA-N 433.487 3.900 0 40 IHAB CNC(=O)[C@@]1(Cc2cc(C3CCCCC3)no2)CCN(Cc2cnc(C(C)C)nc2)C1 19739233 GKOJFRWKUYQXGI-XMMPIXPASA-N 425.577 3.817 0 40 IHAB Cc1nc([C@H]2CCCN2C(=O)c2ccccn2)nc2c1CCC(=O)N2CCc1ccccc1 19740365 ARHBXFQMRQCFMN-JOCHJYFZSA-N 441.535 3.679 0 40 IHAB CC[C@@H](c1ccc(F)cc1)N(C)C(=O)Cn1cccc(C(=O)Nc2ccc(F)cc2)c1=O 19750578 CUQUKARIGSCWGO-NRFANRHFSA-N 439.462 3.989 0 40 IHAB COc1cccc(CNC(=O)c2cnc([C@@H]3CCCCN3Cc3cccnc3)nc2C)c1 19766263 ICCISJCUNUIBMP-QHCPKHFHSA-N 431.540 3.846 0 40 IHAB CCc1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(F)cc2)cc1 20007779 BXDKVTHURWSOBL-QFIPXVFZSA-N 426.513 3.916 0 40 IHAB CCOc1cc([C@@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3ncnn32)ccc1O 20175762 ZJQLBAPFYMGXOP-LJQANCHMSA-N 425.876 3.963 0 40 IHAB COc1ccccc1CN(C)C(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1 20459402 RZLYKNCTWZPISG-UHFFFAOYSA-N 430.551 3.854 0 40 IHAB CCOc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)cc1 20489328 NBTZSGZMXLOCQX-HXUWFJFHSA-N 430.570 3.698 0 40 IHAB O=C(CCc1nc(-c2ccccc2)no1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 21533256 AQNHWCMCUAGGND-UHFFFAOYSA-N 445.445 3.822 0 40 IHAB Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCCCCC2)c(C)c1 22246498 IDLYXCWGYNASMF-JOCHJYFZSA-N 428.598 3.904 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)c3ccc(F)cc3)C2)cc1C 22536482 JLKULNPEHQPYBX-HKUYNNGSSA-N 448.560 3.811 0 40 IHAB CCC[C@H](NC(=O)[C@@H](C)N1CCN(Cc2ccc(OC)c(F)c2)CC1)c1ccccc1 22933826 OQYWRRNZSVGEQP-XXBNENTESA-N 427.564 3.998 0 40 IHAB C[C@H]1CN(C(=O)c2ccccc2NS(=O)(=O)c2cccc(C(F)(F)F)c2)C[C@@H](C)O1 23078017 FHHOTDULSLQPJB-OKILXGFUSA-N 442.459 3.756 0 40 IHAB COc1ccccc1[C@H](CNC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)N(C)C 23794213 TYSNKIQZXJKDOE-QHCPKHFHSA-N 441.535 3.976 0 40 IHAB CCCS(=O)(=O)c1ncc(Br)c(-c2nnc(-c3ccc(Cl)cc3)o2)n1 28287117 KVKTZTKURIRSHH-UHFFFAOYSA-N 443.710 3.793 0 40 IHAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3cccc(OCc4ccc(F)cc4)c3)ccc21 30392103 VJXJVMNRTDWIQQ-UHFFFAOYSA-N 433.439 3.680 0 40 IHAB CSc1ncc(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)n1-c1ccc(F)cc1 30566859 WIXSLHCDEGTTAD-UHFFFAOYSA-N 444.576 3.988 0 40 IHAB COc1ccc(Cl)cc1NC(=O)C1CCN(c2ccc3nnc(C(C)C)n3n2)CC1 32104710 LMRRLRYRAUOIIY-UHFFFAOYSA-N 428.924 3.765 0 40 IHAB C[C@@H](Cc1ccc2c(c1)OCO2)N(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C 32109471 NRHLKCXDZWXUOZ-FXAWDEMLSA-N 440.540 3.941 0 40 IHAB biogenic Cn1cnnc1Sc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 32674259 GJHWCPMYMUMJFT-GFCCVEGCSA-N 445.907 3.750 0 40 IHAB Cc1cc(C)cc(-n2ncc3c(=O)n(Cc4noc(-c5ccc(Cl)cc5)n4)cnc32)c1 32753051 ILDKSRBRHHMFLQ-UHFFFAOYSA-N 432.871 3.951 0 40 IHAB COc1ccc(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1Cl 38850260 URFMRRDWIRIZPR-QGZVFWFLSA-N 445.324 3.558 0 40 IHAB COc1cccc(-c2csc3c(=O)[nH]c(N4CCN(Cc5ccccc5)CC4)nc23)c1 48990021 KXFXUGBOPGXVOR-UHFFFAOYSA-N 432.549 3.982 0 40 IHAB COCCNC(=O)[C@@H]1Cc2cn(Cc3c(C)noc3C)c3cccc(c23)[C@H](CC(C)C)N1 49171810 NEELZWBUWYXSCE-VXKWHMMOSA-N 438.572 3.659 0 40 IHAB biogenic,in-vitro Cc1cc(C)n(-c2cc(SCC(=O)Nc3ccc(Br)cc3F)ncn2)n1 49404176 VDRRXUKSKUUFIF-UHFFFAOYSA-N 436.310 3.912 0 40 IHAB COc1ccc(N(Cc2cccs2)C(=O)CN2CCN(c3ccccc3O)CC2)cc1 58160000 MNIDQPZQNBHKIL-UHFFFAOYSA-N 437.565 3.818 0 40 IHAB COc1ccc(CCCNC(=O)c2ccc(I)cc2)cc1OC 59386038 VCBJWHCDEKILNN-UHFFFAOYSA-N 425.266 3.671 0 40 IHAB O=C(Nc1nc2ccc(Cl)cc2s1)C1CCN(c2ccc(-n3cccn3)nn2)CC1 62022696 FXJMIKULGWNHAZ-UHFFFAOYSA-N 439.932 3.781 0 40 IHAB O=C(c1cc(-c2ccccc2)c(N2CCOCC2)s1)N1CCCC[C@@H]1C1OCCO1 69200562 HKBUBEMNXGAVOS-LJQANCHMSA-N 428.554 3.619 0 40 IHAB CCOC(=O)C[C@H](c1ccc(OCCc2ccccc2)cc1)c1oc(CO)cc(=O)c1O 71283109 LPTXTQHLWIDJKE-OAQYLSRUSA-N 438.476 3.544 0 40 IHAB O=C1NCCN(C(=O)CCCOc2ccccc2F)[C@@H]1Cc1cccc(-c2cccnc2)c1 72351712 UFDUMURLFNUHNO-HSZRJFAPSA-N 447.510 3.616 0 40 IHAB CCOC(=O)CCN(Cc1cccnc1)c1cc(C(F)(F)F)nc(-c2ccncc2)n1 84793442 RCAUJGRZBMQVIH-UHFFFAOYSA-N 431.418 3.912 0 40 IHAB CCCCOc1ccc(N2C(=O)[C@@H]3ON=C(c4ccc(Br)cc4)[C@H]3C2=O)cc1 103140259 JMUHLGHJSMADLW-IEBWSBKVSA-N 443.297 3.921 0 40 IHAB C[C@@H](C(=O)NCCSc1ccc(Cl)cc1)N(c1ccccc1F)S(C)(=O)=O 220297669 QVNOEPCBDQJXJV-ZDUSSCGKSA-N 430.954 3.542 0 40 IHAB CN(c1ccc(Cl)c(C(=O)NCCSc2ccc(Cl)cc2)c1)S(C)(=O)=O 222491192 VYYUHPOTQWZZDB-UHFFFAOYSA-N 433.382 3.911 0 40 IHAB C[C@@H](C(=O)NC[C@@H]1CCCO1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 222843292 WONKIQQWSMEAKW-AVRDEDQJSA-N 428.960 3.985 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)NCCOc2ccccc2C)cc1 223866299 PFVGFFMZGSCNIT-UHFFFAOYSA-N 438.549 3.937 0 40 IHAB CN(c1ccc(C(=O)NCCOc2ccc(F)cc2)cc1)S(=O)(=O)c1cccs1 224238053 NLAOZVCYLWUTRG-UHFFFAOYSA-N 434.514 3.521 0 40 IHAB CCCn1c(=O)sc2cc(S(=O)(=O)NCc3cccc(CN4CCCC4)c3)ccc21 224641801 XTRSPUCKJOYXHB-UHFFFAOYSA-N 445.610 3.547 0 40 IHAB CC1CCN(c2cc(N3CCCCCC3)nc(NC(=S)NC[C@@H]3CCCO3)n2)CC1 225908163 DQQMMIFKEZRJQE-SFHVURJKSA-N 432.638 3.559 0 40 IHAB CN(CC(=O)Nc1ccc2sncc2c1)S(=O)(=O)c1cc(Cl)ccc1Cl 226035864 TUZUHQYKOIJZQR-UHFFFAOYSA-N 430.338 3.862 0 40 IHAB Cc1cc(C)cc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)C(=O)c2ccccc2)c1 226399562 RFLOBBOLLYLZCN-WVYLNQBTSA-N 426.516 3.961 0 40 IHAB CCN1CCN(C(=O)c2cnc(C)nc2C)[C@H](Cc2ccccc2-c2ccccc2)C1=O 257242284 IBTWIPOSBFCPPB-XMMPIXPASA-N 428.536 3.676 0 40 IHAB CC(C)Oc1cccc(N(CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)S(C)(=O)=O)c1 260945459 VGQAUFNJTJTVOO-GOSISDBHSA-N 444.597 3.996 0 40 IHAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)cc1Cl 408551250 GXQQUWLZTSYJKG-VIFPVBQESA-N 437.732 3.961 0 40 IHAB COc1cc(OC)c(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc1Br 409244463 DACCHYXOVGOOIS-CXUHLZMHSA-N 431.286 3.868 0 40 IHAB COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)c1c(-n2cnnn2)sc2c1CCC2 524734353 VQVTWRZJEXMZHM-KRWDZBQOSA-N 434.525 3.510 0 40 IHAB CN1[C@H]2CC[C@H]1CC(N1CCN(Cc3nc(O)c4cc(-c5ccccc5)sc4n3)CC1)C2 535312090 BZXXUMXFSWCRLG-OALUTQOASA-N 449.624 3.807 0 40 IHAB COc1ccnc(C(=O)N2CCCCN(C)C(=O)c3ccccc3OC[C@@H]2CC(C)C)c1 643584033 IMYFGKFADHVVLL-IBGZPJMESA-N 439.556 3.892 0 40 IHAB O=C(CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)N1CCc2ccccc2C1 665985 LFLPYCUCABALEB-UHFFFAOYSA-N 448.588 3.725 0 40 IHAB COc1ccc(C2=NN(C(=O)CCCC(=O)O)[C@@H](c3cc(OC)ccc3OC)C2)cc1 907740 DRPOVSPJJKXTFA-HXUWFJFHSA-N 426.469 3.645 0 40 IHAB Cc1ccc(Cn2nnc3c(=O)[nH]c([C@@H]4CCCN(C(=O)CCC5CCCC5)C4)nc32)cc1 1334142 DIVSEMDVAPCFHT-HXUWFJFHSA-N 448.571 3.548 0 40 IHAB COc1ccccc1-n1cnnc1SCC(=O)c1cc(C)n(C[C@@H]2CCCO2)c1C 2627036 RTOYOQCWIJAASL-KRWDZBQOSA-N 426.542 3.848 0 40 IHAB Cc1cc(C(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)c(C)n1Cc1ccco1 2647372 DKTHQTYDYXDXIK-VWLOTQADSA-N 431.492 3.713 0 40 IHAB aggregator CCN(C(=O)CN1C(=O)c2ccccc2C1=O)C1(C(=O)Nc2c(C)cccc2C)CCCC1 3146995 DVBRYKGSZSGEOG-UHFFFAOYSA-N 447.535 3.699 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(c3nc(C)nc4sc5c(c34)CCCC5)CC2)cc1 3267721 HANKXLMFFOPERW-UHFFFAOYSA-N 442.610 3.698 0 40 IHAB COc1ccccc1CNC(=O)CSc1nnc2c(Cl)cc(C(F)(F)F)cn12 3288503 HJSMEMZWPYUERT-UHFFFAOYSA-N 430.839 3.819 0 40 IHAB Cc1ccc(C)c(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 3290892 XMEATHGEJVEMEL-UHFFFAOYSA-N 444.553 3.664 0 40 IHAB CCOC(=O)c1c(NS(=O)(=O)c2cc(OC)ccc2OC)sc2c1CCCC2 8397796 FHGYAVKUKMXTDT-UHFFFAOYSA-N 425.528 3.622 0 40 IHAB O=C(COC(=O)c1ccccc1-c1nc2ccccc2s1)Nc1ccc2[nH]c(=O)[nH]c2c1 8825227 AKLGVXNJLSAGCD-UHFFFAOYSA-N 444.472 3.928 0 40 IHAB CCc1nnc2sc(-c3ccc(NC(=S)NC(=O)c4ccccc4F)c(C)c3)nn12 9064577 RHVALTNYTVLLRI-UHFFFAOYSA-N 440.529 3.990 0 40 IHAB COc1ccc(NC(=O)[C@H]2C[C@H](CCSC)N[C@]23C(=O)Nc2ccc(C)cc23)cc1 9129762 FAPYWKDYRHITMC-QUZZAMIASA-N 425.554 3.521 0 40 IHAB CCOc1ccc(NC(=O)CN2C(=O)N[C@](Cc3ccccc3)(c3ccccc3)C2=O)cc1 9631663 DZZJTPIVKKHRQT-AREMUKBSSA-N 443.503 3.714 0 40 IHAB COc1ccccc1NC(=O)Cc1csc(NC(=O)c2ccc(OC)c(OC)c2)n1 9659176 ZAAHJNVCPNGRIU-UHFFFAOYSA-N 427.482 3.602 0 40 IHAB NC(=O)N[C@@H](CC(=O)OCc1cc(=O)oc2cc3c(cc12)CCC3)c1ccc(Cl)cc1 9666107 QAILNXYXXUYSCJ-IBGZPJMESA-N 440.883 3.778 0 40 IHAB COc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCc4sccc4C3)c2)cc1 9896645 PXCPJVLVLQDPDS-UHFFFAOYSA-N 428.535 3.756 0 40 IHAB CCCCOc1ccc(C(=O)OCC(=O)c2cc(C)n([C@H]3CCS(=O)(=O)C3)c2C)cc1 10285031 NBYSTQYNYZXNBQ-IBGZPJMESA-N 447.553 3.683 0 40 IHAB C[C@@H]1CCc2ccccc2N1C(=O)COC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 11230925 BREOXDMFXKILSF-QUCCMNQESA-N 435.524 3.842 0 40 IHAB Cc1cccc(-n2nc3c(c2NC(=O)c2cc4ccccc4oc2=O)C[S@@](=O)C3)c1C 11726348 RDELWMMOXKHEOZ-HKBQPEDESA-N 433.489 3.610 0 40 IHAB COc1ccc(NC(=O)CSc2ccc(NC(=O)c3cccc(F)c3)nn2)c(OC)c1 11737910 GAYQDJZKFSZURF-UHFFFAOYSA-N 442.472 3.616 0 40 IHAB CCCCCCn1nc(C(=O)OCC(=O)N[C@@H](C)c2ccco2)c2ccccc2c1=O 12903622 LSSYJWJOIJIDKS-INIZCTEOSA-N 425.485 3.604 0 40 IHAB Cc1cccc(Cc2cnc(NC(=O)CCc3ccc(S(N)(=O)=O)cc3)s2)c1Cl 12909216 LCPDHASPBHKNBM-UHFFFAOYSA-N 449.985 3.914 0 40 IHAB O=C(NC[C@H](c1cccs1)N1CCOCC1)c1cc2ccc(Br)cc2[nH]1 12923392 HRLLLSUXWWLRQR-QGZVFWFLSA-N 434.359 3.795 0 40 IHAB O=C(CSc1nnc2ccccn12)N(Cc1cccs1)c1ccc2c(c1)OCCO2 13117806 AWPWQJREQZSABS-UHFFFAOYSA-N 438.534 3.888 0 40 IHAB Fc1ccc(Cn2nnnc2[C@H](c2ccccc2)N2CCN(c3ccccc3F)CC2)cc1 13504743 KXIRABAXVLAAHM-DEOSSOPVSA-N 446.505 3.911 0 40 IHAB CC(C)(C)NC(=O)[C@H](c1ccccc1)N(C(=O)CNC(=O)c1cccs1)C1CCCC1 13564450 YDARQFCRJWUEOT-NRFANRHFSA-N 441.597 3.905 0 40 IHAB CCN(c1ccc(OCC(=O)NCCc2ccccc2)cc1)S(=O)(=O)c1ccccc1 13584891 BNTQEXLWLHFYJA-UHFFFAOYSA-N 438.549 3.640 0 40 IHAB CC[C@@H](C(=O)NCCSCc1ccccc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716259 VQCBZGDXAPCMHC-NRFANRHFSA-N 434.627 3.898 0 40 IHAB CCn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1ccc2c(c1)OCCO2 13941872 KGWCRHMBCPKZPM-UHFFFAOYSA-N 436.537 3.808 0 40 IHAB COc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc43)c2)cn1 15302267 QGGSFRNKIFPQCA-UHFFFAOYSA-N 443.912 3.747 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccccc2OCc2cc(=O)n3cccc(C)c3n2)cc1 15865409 LOBHHLQSKATNNA-UHFFFAOYSA-N 435.505 3.691 0 40 IHAB C[C@@H](OC(=O)/C=C/c1cc(Br)ccc1F)C(=O)Nc1ccc2c(c1)OCO2 16050801 MGVPKEDLJJCVLC-HVUAZKLTSA-N 436.233 3.901 0 40 IHAB Cc1nn(-c2nc(C)c(C)c(=O)[nH]2)c(C)c1CCC(=O)Nc1ccc(OC(F)(F)F)cc1 16980818 OGBTUTVGDFMGBG-UHFFFAOYSA-N 449.433 3.659 0 40 IHAB Cc1ccccc1C(=O)NC(=S)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 17096404 ZWCZRKJMIQAVAW-UHFFFAOYSA-N 429.414 3.527 0 40 IHAB O=C(Nc1ccccc1C(F)(F)F)N1CCC2(CC1)NC(=O)N(Cc1ccccc1)C2=O 17179088 NZXPNHPDQATKPW-UHFFFAOYSA-N 446.429 3.824 0 40 IHAB CCCN1CCN(C(=O)c2nccn2C)C[C@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 19502767 HMEFDTZWGYWNJQ-NRFANRHFSA-N 448.542 3.780 0 40 IHAB CCCCCN(CCCCC)C[C@@H](C)NC(=O)c1nn(C)cc1I 19646970 KCWQBHKLRDEIQS-OAHLLOKOSA-N 448.393 3.825 0 40 IHAB Cc1ccccc1CSCCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C 20061446 FPSFDNGDTFOQRH-UHFFFAOYSA-N 432.611 3.751 0 40 IHAB Cc1ccccc1-c1nnc(SCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)n1C 21753389 WFZCMMHPLBMCTR-UHFFFAOYSA-N 441.582 3.561 0 40 IHAB Cc1ccccc1OC[C@@H](C)NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 22334949 DYFLYFKEQGTOOS-CQSZACIVSA-N 445.368 3.652 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)NC[C@H](c1ccco1)N1CCc2ccccc2C1 22907235 XKVYZNIMWPJALI-HXUWFJFHSA-N 426.538 3.675 0 40 IHAB CC[C@@H](C)c1ccc(NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2cccc(C)c2)cc1 22962971 IEFOGEOUQHXEOJ-UTKZUKDTSA-N 430.570 3.680 0 40 IHAB CCn1nnc2cc(C(=O)Nc3ccccc3NS(=O)(=O)c3cccs3)ccc21 23172710 DDHIWLGXAFMVJQ-UHFFFAOYSA-N 427.511 3.566 0 40 IHAB C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCN(C(=O)c2ccccc2)CC1 23822534 YQDKLWZMHLEYFZ-OAQYLSRUSA-N 427.548 3.739 0 40 IHAB CCn1c(=O)n(CC(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)c2ccccc21 24691548 XLGBKZMPVXDUIB-INIZCTEOSA-N 436.537 3.645 0 40 IHAB COc1ccc(CSc2nnc(Nc3ccc(OC)cc3)c(=O)n2-n2cccc2)cc1 28534929 GWHAUBBALMBJDV-UHFFFAOYSA-N 435.509 3.804 0 40 IHAB Cc1sc2nc(SCC(=O)N3c4ccccc4NC(=O)C[C@@H]3C)nc(N)c2c1C 32776958 UGNKQBCHTOVPON-JTQLQIEISA-N 427.555 3.746 0 40 IHAB CCOc1cc(N2CCOCC2)c(OCC)cc1NS(=O)(=O)c1ccc(F)cc1C 32906668 SVGXZOZJVSHCHC-UHFFFAOYSA-N 438.521 3.569 0 40 IHAB C[C@H](NC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1)c1ccc(-n2ccnc2)cc1 32970945 QFYXNRDSZDAZML-AWEZNQCLSA-N 449.492 3.621 0 40 IHAB COc1ccc(Cn2c(=O)[nH]c3cc(-c4nc(-c5cccc(C)c5)no4)ccc3c2=O)cc1 38655320 YJWPILJLXPYXNJ-UHFFFAOYSA-N 440.459 3.772 0 40 IHAB CCc1c(C(=O)C(N)=O)c2c(OCC(=O)OC(C)(C)C)cccc2n1Cc1ccccc1 40433890 BZBUAIWSQULJSV-UHFFFAOYSA-N 436.508 3.641 0 40 IHAB C[C@H]1C[C@@H](C)CN(Cc2ccccc2CNC(=O)c2ccc(CS(C)(=O)=O)cc2)C1 48344579 ZZQZEOSPTSJZGI-KDURUIRLSA-N 428.598 3.639 0 40 IHAB Cc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)N2CCN(c3ccccc3F)CC2)cc1 56946344 VSKOAULWADDVPZ-QFIPXVFZSA-N 443.544 3.569 0 40 IHAB Cc1ccc(NC(=O)Cn2c(=O)n(CCc3cccs3)c(=O)c3ccccc32)cc1F 57473269 HVUFPBMYUDHVPN-UHFFFAOYSA-N 437.496 3.554 0 40 IHAB Cc1cccc(-c2noc(-c3ccccc3OCC(=O)Nc3ccc(C(N)=O)cc3)n2)c1 64579604 AFSIHHPRFRKKQI-UHFFFAOYSA-N 428.448 3.828 0 40 IHAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NC3CCCC3)Oc3ccc(Cl)cc32)cc1 64986100 NAAQLBJNFGIEJJ-HXUWFJFHSA-N 434.945 3.664 0 40 IHAB COc1ccc(-c2nc3c4ccccc4n(CC(=O)c4cccc(OC)c4)c(=O)n3n2)cc1 65534941 PKSQKEUFIOAYHP-UHFFFAOYSA-N 440.459 3.611 0 40 IHAB CC(C)Cc1nc(CN2CCN(Cc3noc(CC(C)C)n3)C3(CCCCC3)C2)no1 72308691 XVQOTEOIMVJCDF-UHFFFAOYSA-N 430.597 3.870 0 40 IHAB Cc1cc(C)nc(Nc2cncc([C@@H]3CCCN3S(=O)(=O)c3ccccc3Cl)n2)n1 72376323 HXXPQFCBBQKARV-KRWDZBQOSA-N 444.948 3.806 0 40 IHAB Cc1ccc2cc(C(=O)N3CCC[C@@H](c4cc(C(F)(F)F)n5ncnc5n4)C3)[nH]c2c1 72393678 UVOODVKJULZDCC-CQSZACIVSA-N 428.418 3.953 0 40 IHAB O=C(Cn1nc(-c2ccco2)ccc1=O)Nc1nc2ccc(OC(F)(F)F)cc2s1 79495358 KHLGLBMNNGQGBA-UHFFFAOYSA-N 436.371 3.650 0 40 IHAB O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O 84452145 XXXSECBLPLLXTN-CYBMUJFWSA-N 436.361 3.872 0 40 IHAB Cc1cc(S(=O)(=O)Nc2cccnc2N2C(=O)O[C@@H](C(F)(F)F)[C@@H]2C)c(C)s1 89582492 DYMFRZIWAMUSBM-TVQRCGJNSA-N 435.449 3.837 0 40 IHAB Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)CSc3ccccc3C)CC2)c(C)c1 89696855 MLYWLKZKQYCCGH-UHFFFAOYSA-N 432.611 3.545 0 40 IHAB COc1ccc(/C=C2/SC(=O)N(CCNC(=O)c3cc4c(s3)CCC4)C2=O)cc1 96398805 HRAFIMLVWMBGIJ-WOJGMQOQSA-N 428.535 3.712 0 40 IHAB C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 195529527 NXBVONWVPOOUDG-QRVBRYPASA-N 429.586 3.584 0 40 IHAB CC[C@@H](C(=O)NCCSCc1ccccc1)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220563616 HNMNCCGRJZNFHX-NRFANRHFSA-N 434.627 3.898 0 40 IHAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2ccccc2)N1CCCN1CCOCC1 223193402 XMFFNYBQTFQLSM-ZEQRLZLVSA-N 447.608 3.567 0 40 IHAB CC[C@H](NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1)c1ccc(C)cc1C 223246667 GDJLWVIQXDKJCO-KRWDZBQOSA-N 430.555 3.837 0 40 IHAB CCc1ccc(N([C@@H](C)C(=O)NCCOc2cccc3ccccc23)S(C)(=O)=O)cc1 223562054 SEPQAQJQECLMPW-SFHVURJKSA-N 440.565 3.752 0 40 IHAB CS(=O)(=O)N(CC(=O)Nc1ccc(Cc2ccncc2)cc1)c1ccccc1Cl 223635670 LOTPGOPRLIDTOC-UHFFFAOYSA-N 429.929 3.731 0 40 IHAB COc1ccc(CN(C)C(=O)c2ccc(CN(C)S(=O)(=O)c3ccccc3)cc2)cc1 224416035 IJJNMWJBZSXCRK-UHFFFAOYSA-N 438.549 3.788 0 40 IHAB COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1 224522580 PGIOMJZPOXZMFK-UHFFFAOYSA-N 426.494 3.822 0 40 IHAB Cc1cc(Cl)ccc1N(CCCC(=O)NCCc1ccc(F)cc1)S(C)(=O)=O 224767817 YCUYJCVAXCHACS-UHFFFAOYSA-N 426.941 3.693 0 40 IHAB CC(C)Oc1cccc(N(CC(=O)NCc2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1 225168021 YJFFAIPREJFVHN-UHFFFAOYSA-N 444.475 3.575 0 40 IHAB CCc1ccc([C@H](C)NS(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)cc1 225185099 UUTPLHIJNCRHLT-AWEZNQCLSA-N 430.555 3.701 0 40 IHAB O=C1CCCCCN1CC(=O)N1CCO[C@@H](c2cccc(Cc3cccc(Cl)c3)n2)C1 257209072 BOVWNLQFSXOPTA-JOCHJYFZSA-N 441.959 3.628 0 40 IHAB Cc1nc([C@@H]2CCN(C(=O)C3CCCC3)C2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 257233173 GOCQCFVWCLJQHQ-LJQANCHMSA-N 436.531 3.910 0 40 IHAB O=C1CCCC[C@]2(CN(C(=O)c3ccccc3Cn3cccn3)C[C@H]2c2ccccc2)N1 257296976 RFFRHXMGSUVMOX-JYFHCDHNSA-N 428.536 3.600 0 40 IHAB CCCN1CCN(C(=O)c2cnn(C)c2C)[C@@H](Cc2ccccc2-c2ccc(F)cc2)C1=O 257304605 SMJFWQUUQMJQQV-DEOSSOPVSA-N 448.542 3.840 0 40 IHAB COc1ccc(C(=O)N2CCN(C(C)=O)C[C@@H]2c2ccccc2)cc1OCc1ccccn1 257330427 XOJOOGUXQFMCIV-HSZRJFAPSA-N 445.519 3.715 0 40 IHAB O=C1N(Cc2ccsc2)CCO[C@]12CN(Cc1ccc(F)cc1)C[C@H]2c1cccnc1 306124901 CBVLAKFNIALMSF-UPVQGACJSA-N 437.540 3.679 0 40 IHAB Cc1cccc(N2C[C@@H](C(=O)Oc3cccc(N4C(=O)c5ccccc5C4=O)c3)CC2=O)c1 408659293 KPHCNYBWZINOQC-KRWDZBQOSA-N 440.455 3.754 0 40 IHAB COc1ccc(S(=O)(=O)Nc2cccc(OC(C)C)c2)cc1C(=O)N1CCCCC1 408693399 RXLRGAXRHBFTNQ-UHFFFAOYSA-N 432.542 3.909 0 40 IHAB CC(C)CNC(=O)CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 409060324 PUFVTAJGWXPDOR-UHFFFAOYSA-N 429.369 3.957 0 40 IHAB CSc1cccc(NC(=O)COc2ccc(S(=O)(=O)NCc3ccccc3)cc2)c1 409198419 ADUYNAKEGYRJTK-UHFFFAOYSA-N 442.562 3.905 0 40 IHAB CN1C(=O)S/C(=C\c2cn(CC(=O)Nc3ccc4c(c3)OCO4)c3ccccc23)C1=O 409362433 VGVFFIOJMFGRMV-UWVJOHFNSA-N 435.461 3.675 0 40 IHAB C[C@@H]1Oc2ccc(C(=O)C3CCN(C(=O)N[C@@H]4c5ccccc5C[C@@H]4C)CC3)cc2NC1=O 600920507 UPQQELQUJKPHPQ-KXNSMUHISA-N 447.535 3.944 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(Sc2cncc(Sc3ccccn3)n2)nc1 1615627362 NALZKATZGSWQOU-UHFFFAOYSA-N 433.584 3.600 0 40 IHAB CCC(C)(C)n1nnnc1CN(Cc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O 927706 PUXWNKSAZCTPNL-UHFFFAOYSA-N 446.555 3.871 0 40 IHAB O=C(C[C@@]1(O)C(=O)Nc2ccc(Br)cc21)c1cccc(Br)c1 989848 SMJXKPCAOZEQJE-INIZCTEOSA-N 425.076 3.624 0 40 IHAB CC1(C)C(=O)N(Cc2ccccc2)C(=O)[C@H]2C(=O)Oc3ccc(Br)cc3[C@@H]21 2504233 UDNNMKZSAGOAPF-IRXDYDNUSA-N 428.282 3.663 0 40 IHAB O=C(OCC(=O)c1cc2ccccc2o1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 2635677 NMGRRCPMIVJYQJ-UHFFFAOYSA-N 439.445 3.544 0 40 IHAB Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)cc1C 3556866 BOSGIUGFPZZODH-UHFFFAOYSA-N 428.598 3.613 0 40 IHAB CC[C@H](C)c1ccc(N(CC(=O)NC(C)(C)C)C(=O)CNC(=O)c2cccs2)cc1 4861380 RMFRVBFNESFTJA-INIZCTEOSA-N 429.586 3.939 0 40 IHAB Cc1cccc(N(CC(=O)NC2CCCCC2)C(=O)CNC(=O)c2cccs2)c1C 4875803 RVXRDSXWSFFOBV-UHFFFAOYSA-N 427.570 3.577 0 40 IHAB Cc1cc(C)c2c(CC(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)coc2c1 8606743 GDDLLRFFZZSSFB-UHFFFAOYSA-N 436.493 3.822 0 40 IHAB aggregator COc1cc(OC)cc(C(=O)NCCc2csc3nc(-c4ccccc4F)nn23)c1 8609315 QHMBCIUXMQDLCY-UHFFFAOYSA-N 426.473 3.587 0 40 IHAB CCc1ccc(NC(=O)COc2c(I)cc(C=O)cc2OC)cc1 9232121 YECUIEBQHIKRIK-UHFFFAOYSA-N 439.249 3.692 0 40 IHAB CC(C)[C@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)N2CCc3ccccc32)n1C 9263405 WRWQGBBCSAAFRN-NRFANRHFSA-N 449.580 3.624 0 40 IHAB CCn1c(S[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)nnc1-c1cccc(OC)c1 9289919 RCMDRASZXMPHBJ-CYBMUJFWSA-N 426.498 3.822 0 40 IHAB Cc1nc(SCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)n(C2CCCCC2)c1C 9376546 FVTDZBBCEKNVGZ-UHFFFAOYSA-N 447.605 3.629 0 40 IHAB O=C(CNc1cc(Cl)ccc1Cl)Nc1cccc(S(=O)(=O)N2CCCC2)c1 9385150 MXDVXHPKGOAACC-UHFFFAOYSA-N 428.341 3.829 0 40 IHAB COc1cccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cc(C)on2)c1OC 9446615 OEFGLULVQRDXCF-LJQANCHMSA-N 436.395 3.996 0 40 IHAB Cc1cccc(-c2nc3scc(CCNC(=O)C(=O)Nc4ccc(C)c(F)c4)n3n2)c1 9569102 IAPRSZGZASXRNU-UHFFFAOYSA-N 437.500 3.511 0 40 IHAB COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(N4CCCC4=O)cc3)o2)cc1 9595553 TWPDMKARIMHIER-UHFFFAOYSA-N 438.509 3.527 0 40 IHAB CCOc1ccc2nc(S[C@@H](C)C(=O)Nc3ccc(N4CCOCC4)cc3)[nH]c2c1 9670046 ZHVWWHDRRUREMU-HNNXBMFYSA-N 426.542 3.918 0 40 IHAB C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)C1=O 9883704 OPAFMKOSOPVDET-QHCPKHFHSA-N 437.883 3.683 0 40 IHAB Cc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(Cc3cccnc3)C2=O)cc1 9934085 MXENDMXHIPTTTB-NRFANRHFSA-N 432.455 3.895 0 40 IHAB COC(=O)c1cccc(NC(=O)CCCN(c2ccc(C)c(C)c2)S(C)(=O)=O)c1C 10366938 OVSQTAVBDKNGSU-UHFFFAOYSA-N 432.542 3.583 0 40 IHAB Cc1cc(=O)oc2cc(O[C@H](C)C(=O)N[C@H](Cc3ccccc3)C(=O)OC(C)C)ccc12 11866747 ORFKTQHXUNVXIG-DYESRHJHSA-N 437.492 3.548 0 40 IHAB C[C@@]1(c2ccccc2Br)NC(=O)N(CC(=O)Nc2cccc(Cl)c2)C1=O 12549312 VTWXQZGUPXOLNC-SFHVURJKSA-N 436.693 3.508 0 40 IHAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(N2CCCCCC2)cc1 12564408 TWCGKSZNFSIXCK-QHCPKHFHSA-N 441.597 3.782 0 40 IHAB Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCCCc4ccccc43)C2=O)c(C)n1C[C@@H]1CCCO1 12854266 NXEMOFOAVWHRCX-RXFWQSSRSA-N 449.551 3.640 0 40 IHAB CCC(C)(C)NC(=O)c1ccc2c(c1)N(CC(=O)OCc1ccccc1)C(=O)C(C)(C)O2 12875906 QQSXBISKPZSDOX-UHFFFAOYSA-N 438.524 3.852 0 40 IHAB Cc1cc(Br)ccc1NC(=O)CN(C)Cc1cc(=O)oc2c(C)c(O)ccc12 13038400 VRVRPZJTYVPJNC-UHFFFAOYSA-N 445.313 3.948 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccc2cccnc12 13108463 JMTKIIUQKOMUNF-UHFFFAOYSA-N 425.510 3.670 0 40 IHAB CCOc1ccc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1 13584755 GYRWPQDURFRXCH-UHFFFAOYSA-N 440.521 3.928 0 40 IHAB Cc1cc(C(=O)CSc2ccc3c(c2)OCCCO3)c(C)n1[C@@H]1CCS(=O)(=O)C1 14244608 HPNYSDGFLBXUKY-MRXNPFEDSA-N 435.567 3.601 0 40 IHAB COc1cccc(C(=O)N2CC[C@](Cc3ccc(-c4ccccc4OC)cc3)(C(N)=O)C2)c1 19564157 PZVNKGIKNKVTOM-HHHXNRCGSA-N 444.531 3.931 0 40 IHAB O=C(NCc1ccccc1Cl)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 19860385 SSWBKOIUPRYWIF-QGZVFWFLSA-N 441.380 3.852 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cccc(C)c1 20006885 QPCSSUOHMHVNFW-OAQYLSRUSA-N 438.549 3.840 0 40 IHAB Cc1ccc(C(=O)NCc2ccc(OC(C)C)cc2)cc1S(=O)(=O)N1CCCCC1 20489945 IUUOJPGHRGLTHA-UHFFFAOYSA-N 430.570 3.887 0 40 IHAB COc1ccc(C)c2sc(N(CCCN3CCOCC3)C(=O)c3ccccc3)nc12 20590215 HOZYJRVUNODVTM-UHFFFAOYSA-N 425.554 3.982 0 40 IHAB COc1cc(C)c(CN2CCN(C(=O)CCC(=O)c3ccc(C)s3)CC2)cc1OC 22025354 HVXVISWGKXPZBO-UHFFFAOYSA-N 430.570 3.689 0 40 IHAB COc1ccc(Cl)cc1N(CC(=O)NCCCc1ccccc1Cl)S(C)(=O)=O 22335836 CKLNMIBIDXYDPT-UHFFFAOYSA-N 445.368 3.517 0 40 IHAB C[C@@H](NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 22535374 PXRGXNPBNFTOTQ-GOSISDBHSA-N 426.513 3.894 0 40 IHAB O=C(CN1CCN(Cc2c(-c3ccccc3)nc3ccccn23)CC1)Nc1cccc(F)c1 22922235 FDANJIGGSITRKF-UHFFFAOYSA-N 443.526 3.897 0 40 IHAB COc1cccc(C(=O)N(CCN2CCOCC2)c2nc3c(F)cc(F)cc3s2)c1 22998577 KCCCBYJLUWKMEJ-UHFFFAOYSA-N 433.480 3.562 0 40 IHAB COc1cccc(COC(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)c1OC 24991687 ZTRZKGFEVDAYHH-MRXNPFEDSA-N 433.526 3.624 0 40 IHAB Cc1csc(=O)n1CCCC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 25018014 DYIIMMMPHIGCEI-UHFFFAOYSA-N 439.493 3.618 0 40 IHAB O=C([C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1)N1CCCCCC1 26109408 IRBSAUCKPOECFR-OAHLLOKOSA-N 433.401 3.938 0 40 IHAB Cc1ccc([C@H](CN2CCOCC2)NC(=O)Cc2nc(-c3cccs3)oc2C)cc1 26289684 JQMQNYWDTALXDU-FQEVSTJZSA-N 425.554 3.752 0 40 IHAB CCCOc1cccc(C(=O)Nc2nnc(S(=O)(=O)Cc3ccc(F)cc3)s2)c1 27664716 RODJECNHTUNREV-UHFFFAOYSA-N 435.502 3.692 0 40 IHAB Cc1nn(Cn2ccc(C(=O)N[C@@H]3CCCc4ccccc43)n2)c(C)c1Br 27973721 VJYXTUPDPNVSSQ-QGZVFWFLSA-N 428.334 3.772 0 40 IHAB CC(C)CN1CCO[C@H](CNC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)C1 32269852 PTGPDEBFANDCEU-MRXNPFEDSA-N 444.885 3.631 0 40 IHAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccc(OCc4ccccc4)c3)C2=O)o1 33586445 PIHDACOSUCPDCF-MOSHPQCFSA-N 432.432 3.738 0 40 IHAB CCc1nnc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2C)s1 35311908 NPLSQRKEGFUOIF-UHFFFAOYSA-N 437.554 3.782 0 40 IHAB Cc1ccc(C)c(OCC(=O)Nc2ccccc2OCc2cc(=O)n3oc(C)cc3n2)c1 35378564 YTJXPYKXUORQBE-UHFFFAOYSA-N 433.464 3.809 0 40 IHAB C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 40074033 OJBVJWMEUFCNRZ-KRWDZBQOSA-N 429.476 3.811 0 40 IHAB Cc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)Nc2nc(Nc3ccc(F)cc3)[nH]c(=O)c21 40399746 CRAMPEIDAYUYOJ-AWEZNQCLSA-N 441.850 3.679 0 40 IHAB CNS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(F)c(Cl)c3)cs2)cc1 48342757 CEZVAHCQOPMTET-UHFFFAOYSA-N 425.894 3.763 0 40 IHAB COc1ccc(Br)cc1-c1nc(CN2CCN(c3cnccn3)CC2)cs1 48354397 URODIDMWLCVNEK-UHFFFAOYSA-N 446.374 3.693 0 40 IHAB Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc4c(c3)CCC4)c2=O)c1 57490275 XNZMLMXOUXTRBR-UHFFFAOYSA-N 431.517 3.650 0 40 IHAB CCOC(=O)CN(Cc1ccc(C)cc1)C(=O)CCc1nc(-c2ccc(OC)cc2)no1 57990968 MYFHYXDOEOWUQR-UHFFFAOYSA-N 437.496 3.578 0 40 IHAB CCOC(=O)c1cnn(-c2ccc(C(=O)N=c3[nH]c4ccccc4[nH]3)cc2)c1C(F)(F)F 65562816 HKXCNKUXGZGICO-UHFFFAOYSA-N 443.385 3.618 0 40 IHAB O=C(COC(=O)c1ccc(Br)cc1)NCc1ccccc1Br 67197445 NILQYVNGMIACGX-UHFFFAOYSA-N 427.092 3.685 0 40 IHAB O=C(Nc1nc2ccc(Cl)cc2s1)[C@@H]1CCCN(c2cc(-n3cccn3)ncn2)C1 70656025 NFIACDQQUBLYIH-CYBMUJFWSA-N 439.932 3.781 0 40 IHAB O=c1ccc(-c2ccc(F)cc2)nn1CC1(O)C[C@@H]2CC[C@H](C1)N2Cc1cccs1 72394324 JNWCEAHDMYZNRQ-LIMIJEPZSA-N 425.529 3.669 0 40 IHAB CCOc1ccc(CCC(=O)N2CCC[C@@H](c3cc(C(F)F)n4ncnc4n3)C2)cc1 72395362 OKNHFVHCGVJBMM-MRXNPFEDSA-N 429.471 3.799 0 40 IHAB COCCS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCOc3ccccc32)c1Cl 78869531 NTSMOCMMPYLLTI-CQSZACIVSA-N 444.336 3.667 0 40 IHAB COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)N2CCC(CCc3ccc(O)cc3)CC2)cc1 83888532 LAAHASFLSOJMLS-JNMQVBFRSA-N 436.552 3.790 0 40 IHAB O=C(CN1C(=O)CCOc2ccccc21)NC1(c2cccc(Br)c2)CCC1 84582113 PVGKLPXETNQJHV-UHFFFAOYSA-N 429.314 3.760 0 40 IHAB C[C@H]1CC[C@H]2N(C1)C[C@H]1[C@H]3C[C@@H]4[C@H](C[C@H](O)[C@H]5C[C@@H](O)CC[C@@]54C)[C@@H]3CC[C@H]1[C@]2(C)O 85885381 IUKLSMSEHKDIIP-WWDZCZAESA-N 431.661 3.678 0 40 IHAB CN1CCN(C(=O)C[C@@H]2CC3(CCN(C(=O)c4ccccc4)CC3)c3ccccc32)CC1 96242243 NGPIBLYXWAYVGV-JOCHJYFZSA-N 431.580 3.512 0 40 IHAB CCOC(=O)C1=NN(c2cccc(Cl)c2)[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]12 96297366 IRDDNVUFRRBXFA-AEFFLSMTSA-N 446.290 3.599 0 40 IHAB O=C(C1[C@H]2CCCC[C@H]12)N1CCCC[C@@H]1c1nc(O)c2c(n1)CN(Cc1ccncc1)CC2 100238201 FPKVWBIKHJLCJK-CNNODRBYSA-N 447.583 3.625 0 40 IHAB CCn1c(S)nc2cc(C(=O)N3CC=C(c4c[nH]c5ncccc45)CC3)ccc2c1=O 102942316 IMGYXQNIANZDLG-UHFFFAOYSA-N 431.521 3.511 0 40 IHAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 104809352 JOZXKDYVUVLYIZ-BIENJYKASA-N 430.973 3.821 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)N2CCCCC2)C2CCCCC2)cc1Cl 107775799 XEJJCZNYBNEKJF-UHFFFAOYSA-N 428.982 3.685 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccccc2OC(C)C)cc1I 113941811 HNPKASUWVJKBBA-UHFFFAOYSA-N 447.294 3.888 0 40 IHAB COC(=O)c1cn(C(=O)COc2ccc(I)cc2)c2ccccc12 222628946 IEXGXJKLSMQXIH-UHFFFAOYSA-N 435.217 3.752 0 40 IHAB COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)c2cc(C(C)C)c(OC)cc2C)c1 223196808 FTCNFKKUDLVBCL-UHFFFAOYSA-N 435.498 3.501 0 40 IHAB COc1ccc(OC)c(NC(=O)c2ccc(CN(C)S(=O)(=O)c3ccc(C)cc3)o2)c1 223404708 JMPINCVOWVWKRS-UHFFFAOYSA-N 444.509 3.678 0 40 IHAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1CCC(Cc2ccccc2)CC1 224364721 LFCAYVBSESLNIF-QHCPKHFHSA-N 444.597 3.721 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cc1ccc(Cl)cc1F 225066460 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Clc1cccc(-c2nnc(Cn3nnc(Cc4cccc(Br)c4)n3)o2)c1 506942519 JFWGPDZUFSAPIH-UHFFFAOYSA-N 431.681 3.778 0 40 IHAB C[C@H](NC(=O)Nc1cc2ccccn2n1)c1cccc(NC(=O)Cc2ccccc2F)c1 578540000 GWYLPHAVRBJUFT-INIZCTEOSA-N 431.471 4.537 0 40 IHAB COc1ccc([C@H](CC(=O)O)NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1 590409435 IPGIQLXMWXMHBJ-PKTZIBPZSA-N 446.503 3.889 0 40 IHAB C=CC(=O)N1CCC(C(=O)N2CCO[C@H](c3ccc(F)c(F)c3)C2)(c2ccccc2)CC1 1626691937 XBWYGHJUOSAGKR-QFIPXVFZSA-N 440.490 3.611 0 40 IHAB CC(=O)O[C@H]1C[C@@]2(O)[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1c1ccc(=O)oc1 1903846702 VOZHMAYHYHEWBW-QWAROOGFSA-N 444.568 3.784 0 40 IHAB O=C1NC2(CCC3(CC2)NC(=O)N(c2ccc(Cl)cc2)N3)NN1c1ccc(Cl)cc1 1391991 HMUPNJCLDOVAON-UHFFFAOYSA-N 447.326 3.729 0 40 IHAB O=c1[nH][nH]c(=O)c2c1nc(SCc1ccc(Br)cc1)n2Cc1ccccc1 1598438 SFKPFZRSKKTVJP-UHFFFAOYSA-N 443.326 3.516 0 40 IHAB Cc1ccc(NC(=O)COC(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)cc1Cl 1917042 DUVLZNCYLOFADO-IBGZPJMESA-N 442.899 3.841 0 40 IHAB 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CC(C)[C@H](NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)c1ccccc1 10857934 FTMCMUHYKZLQQC-IBGZPJMESA-N 446.477 3.873 0 40 IHAB Cc1ccc(-c2csc(NC(=O)CSc3nnnn3Cc3ccco3)n2)cc1C 11684198 BVPIOOGPMZGNRT-UHFFFAOYSA-N 426.527 3.786 0 40 IHAB O=C(c1cc(-c2ccc(Cl)cc2)on1)N(Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 11914671 FRLIISOOOPBPAU-SFHVURJKSA-N 448.903 3.964 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCc3[nH]c4ccccc4c3C2)ccc1C 11974829 HIOKUAFZYBZGON-UHFFFAOYSA-N 425.554 3.705 0 40 IHAB COc1ccc(NC(=O)c2nc(S(=O)(=O)Cc3cccc(C)c3)ncc2Cl)cc1 12062717 AROOVNOAMIQWOP-UHFFFAOYSA-N 431.901 3.673 0 40 IHAB CCn1c(=O)oc2cc(S(=O)(=O)N[C@H](Cc3ccsc3)c3ncccc3C)ccc21 12229697 SEPFFKWKSGDNJT-QGZVFWFLSA-N 443.550 3.642 0 40 IHAB COC(=O)c1ccccc1NC(=O)CSc1nnc(COc2ccc(Cl)cc2)o1 12249535 PZEKQIHYJSUNIL-UHFFFAOYSA-N 433.873 3.819 0 40 IHAB Cc1ccc(N2C[C@@H](NC(=O)N3CCn4cccc4[C@H]3c3ccccc3F)CC2=O)cc1 12361882 KWTOAWSCGSSQQM-MHECFPHRSA-N 432.499 3.856 0 40 IHAB COC(=O)c1cccc(S(=O)(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)c1 12535985 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CCn1c(CSc2nnc3n2CCCN3)nnc1SCC(=O)c1ccc(Cl)cc1 17173083 DPPOWOFBVWLZIZ-UHFFFAOYSA-N 449.993 3.626 0 40 IHAB Cc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=S)NC[C@H]3CCCO3)cc2c1 17781938 OEDPQPBUFOFKAM-GOSISDBHSA-N 427.595 3.954 0 40 IHAB C[C@@H](Sc1nnc(N2CCCC2)n1-c1cccc(Cl)c1)C(=O)NCC(F)(F)F 17897649 YGCNPAYBYRFKNA-LLVKDONJSA-N 433.887 3.680 0 40 IHAB O=C(CC1(CC(=O)N2CCN(c3ccccn3)CC2)CCCC1)NCc1ccc(F)cc1 18249487 ZIXJLRMVPZIBID-UHFFFAOYSA-N 438.547 3.526 0 40 IHAB Cc1ccc2oc(C(=O)N3CCC4(CC3)NC(=O)c3cc(Cl)ccc3N4)cc(=O)c2c1 19220028 DILSFPHYCPBWTJ-UHFFFAOYSA-N 437.883 3.543 0 40 IHAB CCc1ccc2[nH]c(=O)c(CN(CCCN3CCOCC3)C(=O)Nc3ccccc3)cc2c1 19523000 PAKQHNNSNVJJHU-UHFFFAOYSA-N 448.567 3.847 0 40 IHAB CCN(CC)S(=O)(=O)N1CCC(c2cc(Cc3ccc(OC)cc3)cc(C)n2)CC1 19687049 VAFMWSSCQSLMET-UHFFFAOYSA-N 431.602 3.755 0 40 IHAB O=C(Nc1ccc(F)c(F)c1)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2Cl)C1 19859943 NLUPQYQZXIDGTF-CYBMUJFWSA-N 428.888 3.799 0 40 IHAB O=C(Nc1ccc(F)c(F)c1)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2Cl)C1 19859944 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430.895 3.755 0 40 IHAB COc1ccc(-c2cnn3c2N=C(O)C[C@H]3C(=O)Nc2cccc(C(C)=O)c2)cc1OC 35685346 SMDNWEVMBAEECO-SFHVURJKSA-N 434.452 3.941 0 40 IHAB O=C(c1cc(S(=O)(=O)N2CCCC2)c[nH]1)N1CCc2sccc2[C@@H]1c1cccs1 39996910 JLGIMJVEBQFUJH-LJQANCHMSA-N 447.607 3.710 0 40 IHAB O=C(CCN1CCO[C@H](c2ccc(Cl)cc2)C1)Nc1ccc(N2CCOCC2)cc1 40154719 OXHCSCDXYMPQLT-QFIPXVFZSA-N 429.948 3.579 0 40 IHAB Cc1ccc(C)c2sc(OC3CCN(C(=O)Cn4c(=O)oc5ccccc54)CC3)nc12 49442656 LESXOEOAJVCZPN-UHFFFAOYSA-N 437.521 3.891 0 40 IHAB CN(C)S(=O)(=O)c1cc(NC(=O)NCCSCc2ccccc2)ccc1Cl 58010730 SZRHUDLSBIEWBG-UHFFFAOYSA-N 427.979 3.645 0 40 IHAB Cn1cc(C(=O)NC2CCN(C(=O)CSC(c3ccccc3)c3ccccc3)CC2)cn1 58014317 UPEVWWFBOLSSAN-UHFFFAOYSA-N 448.592 3.664 0 40 IHAB Cc1c(C(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)cnn1-c1ccc(O)nn1 58278995 SIBVPHDOCKCZHC-UHFFFAOYSA-N 438.463 3.587 0 40 IHAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)COc1ncnc2ccc(Br)cc12 58391153 DXTSZELPKDXKFQ-LBPRGKRZSA-N 441.285 3.535 0 40 IHAB O=C(CN1CCOCC1)N1CCC[C@@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1 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104802678 MBKIVMRPBMBQRT-ZFCANOHDSA-N 427.497 3.518 0 40 IHAB CC[C@H](C(=O)Nc1ccc(Br)cc1)N(c1cccc(OC)c1)S(C)(=O)=O 220611361 CNXHVLYPOKMQBV-QGZVFWFLSA-N 441.347 3.641 0 40 IHAB COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(OC)c3)cc2)cc1 224522724 VRICYXVCIDQBFZ-UHFFFAOYSA-N 442.493 3.522 0 40 IHAB CCOc1ccc(N([C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)S(C)(=O)=O)cc1 224863251 PWMWJOPAAQHQPB-ZDUSSCGKSA-N 446.447 3.777 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCCc1ccc(Cl)cc1)c1ccc(F)c(F)c1 224889532 SIMNGZUCVIIRLD-UHFFFAOYSA-N 430.904 3.523 0 40 IHAB CC(C)C(=O)Nc1nnc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)s1 225329141 USXXILPFCWEVOZ-UHFFFAOYSA-N 428.845 3.606 0 40 IHAB NC(=O)C1CCN(C2CN(C(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)cc3)C2)CC1 239593123 DQDGMJXRWAMRAM-UHFFFAOYSA-N 432.351 3.682 0 40 IHAB CC(=O)c1ccccc1OC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 251060917 VJERKDHTEFPNST-UCHKQQSZSA-N 427.456 3.666 0 40 IHAB Cc1ccccc1-c1nc2sc(=Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2n1 254487470 LDOXAYFDWGFPAH-UHFFFAOYSA-N 430.445 3.842 0 40 IHAB CN(C)C(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(C(=O)c2cccnc2)CC1 257202791 ANKUMWHBKWGIPJ-UHFFFAOYSA-N 428.536 3.697 0 40 IHAB Cc1ccc(Oc2ncccc2C(=O)N2CC[C@@]3(CN(Cc4ccccc4)C(=O)O3)C2)cn1 257308345 TWKBDKFFSXDZRO-VWLOTQADSA-N 444.491 3.814 0 40 IHAB Cc1ccc(OCCNC(=O)[C@]2(C)CCCN(C(=O)c3ccc4nc(C)[nH]c4c3)C2)c(C)c1 257327807 XCUJWGXCEPRHFO-AREMUKBSSA-N 448.567 3.926 0 40 IHAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 260790655 FRFUFUHAGNSBSG-PMACEKPBSA-N 446.569 3.658 0 40 IHAB Cn1c(=O)n(C)c2cc(NC(=O)c3cccc(Br)c3)c(Br)cc21 408536492 WOLVKRVJFRLGMB-UHFFFAOYSA-N 439.107 3.654 0 40 IHAB COc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cc(Cl)ccc3Cl)CC2=O)cc1 408658848 RQDVVDIWTJEEIH-LBPRGKRZSA-N 437.279 3.537 0 40 IHAB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cccn2-c2cccc(Br)c2)C1=O 409074208 SLYMBCLRPIPEIQ-HGLKBHAMSA-N 435.299 3.838 0 40 IHAB CC1CCN(C(=O)CN2C(=O)S/C(=C\c3cc(Cl)c(O)c(Cl)c3)C2=O)CC1 409359728 XPTGFCOCCDZMHY-ZSOIEALJSA-N 429.325 3.994 0 40 IHAB OC1(COc2ccc(F)cc2)CCN(Cc2cccc(OCCCn3cccn3)c2)CC1 585271474 ACHNYVOAGWUOCZ-UHFFFAOYSA-N 439.531 3.897 0 40 IHAB C[C@H]1CN(C(=O)CN2CCCCCOc3ccccc3Oc3ncccc3C2)C[C@@H](C)O1 643576084 VRQMYNZCFOXKMQ-BGYRXZFFSA-N 439.556 3.874 0 40 IHAB CN1CCCCCOc2ccc(C(=O)NCCN3CCCC3=O)cc2Cc2cccc(c2)C1 643579625 DZWUHVKOJDJYFF-UHFFFAOYSA-N 449.595 3.624 0 40 IHAB COc1cc(C)c(Br)cc1S(=O)(=O)N1CCN(c2ccc(C)cc2)CC1 1668210759 NBVZGLTXFROSQE-UHFFFAOYSA-N 439.375 3.585 0 40 IHAB CN(CC1CCN(C(=O)c2cn(C)nc2C(F)F)CC1)c1cc(C(F)(F)F)ccn1 1888875977 YFRIGQJHGYAZKV-UHFFFAOYSA-N 431.409 3.760 0 40 IHAB Cc1ccc(CNC(=O)[C@H]2C[C@]3(CO2)CN(Cc2cccc(C(F)(F)F)c2)CCO3)cc1 2056226610 WFDUKOVKFNJQHK-FYYLOGMGSA-N 448.485 3.690 0 40 IHAB Cc1cc(C)c2[nH]c(=O)c(CN(Cc3cccnc3)C(=S)NC[C@H]3CCCO3)cc2c1 875454 YYSMZANTHWTDTA-OAQYLSRUSA-N 436.581 3.596 0 40 IHAB O=C(CSc1nnnn1-c1ccc2c(c1)OCO2)N(C1CCCCC1)C1CCCCC1 932405 DYQHGMFUZZJHHH-UHFFFAOYSA-N 443.573 3.977 0 40 IHAB COc1cccc(C(=O)Oc2ccc3cc(C(=O)NCCc4ccccc4)c(=O)oc3c2)c1 941582 IHNHUKIIVJRMEX-UHFFFAOYSA-N 443.455 3.993 0 40 IHAB Cc1nn(-c2ccccc2)c2c1C(C(F)(F)F)(C(F)(F)F)N=C(N1CCOCC1)O2 2270491 GHVINQXMZGIXBH-UHFFFAOYSA-N 434.340 3.581 0 40 IHAB COc1cc(NC(=O)CSc2nc(COc3ccc(Cl)cc3)n[nH]2)cc(OC)c1 2644163 UCBLLJZFKPPDMG-UHFFFAOYSA-N 434.905 3.785 0 40 IHAB O=C(NCc1ccccc1Cl)c1ccc2c(=O)n(CCc3ccccc3)c(=O)[nH]c2c1 4791566 WIPDFDVNHWKIJS-UHFFFAOYSA-N 433.895 3.516 0 40 IHAB COc1ccc(C(=O)N(CCCN(C)C)c2nc3c(OC)cccc3s2)cc1OC 9151903 JSRJQQSFJKLMJV-UHFFFAOYSA-N 429.542 3.921 0 40 IHAB CCc1ccccc1N1C[C@H](c2nnc(NC(=O)c3ccc4c(c3)OCO4)s2)CC1=O 9198222 BYURQIULMCONBQ-OAHLLOKOSA-N 436.493 3.602 0 40 IHAB CCOc1cc2c(cc1NCC(=O)NCC(=O)Nc1cccc(Cl)c1C)O[C@H](C)C2 9314851 LSYRMNDJUBZYDW-CYBMUJFWSA-N 431.920 3.537 0 40 IHAB COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1c(O)n(CCc2ccccc2)c(=S)[nH]c1=O 9318519 HIRTVLPDRPGPHL-OAQYLSRUSA-N 448.548 3.579 0 40 IHAB biogenic O=C(c1ccc(OCc2cscn2)cc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 9450343 LCFNXMUFJIOHOS-UHFFFAOYSA-N 434.521 3.842 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(-c2csc(Cc3nnc4n3CCCCC4)n2)cc1 9477732 GMCPISOZEKGIGU-UHFFFAOYSA-N 445.614 3.749 0 40 IHAB CC1(C)CC(NC(=O)COc2cc3oc(=O)c4c(c3cc2Cl)CCC4)CC(C)(C)N1 9488435 GCKNRXAFOUHCRK-UHFFFAOYSA-N 432.948 3.739 0 40 IHAB CC[C@@H](NC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O)c1ccc(Br)cc1 9647573 SMPDSUJLCHAFTL-OWZDWXTDSA-N 436.350 3.517 0 40 IHAB O=C(Cn1cnc2sccc2c1=O)Nc1nc(-c2ccc(Br)cc2)cs1 9729774 MMZDNJWGRNPBKJ-UHFFFAOYSA-N 447.339 3.983 0 40 IHAB Cc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4cccc(C(F)(F)F)c4)nc32)cc1C 9739126 ORHMIYORASCYLO-UHFFFAOYSA-N 427.386 3.510 0 40 IHAB O=C(CCn1cnc2scc(-c3ccccc3)c2c1=O)NC(=O)NCc1ccccc1 10095638 CUWRIJUXIBGGRB-UHFFFAOYSA-N 432.505 3.541 0 40 IHAB Cc1cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)s3)C2)n(C(C)C)n1 11695206 AMDAMFUPFOUPHN-CYBMUJFWSA-N 430.983 3.527 0 40 IHAB CC(=O)N1CCc2c(sc(NC(=O)c3ccn(C)n3)c2-c2nc3ccccc3s2)C1 11695542 KZIDGZIEQQIHGY-UHFFFAOYSA-N 437.550 3.915 0 40 IHAB Cc1nc(C(=O)N2CCC3(CC2)NC(=O)c2ccccc2N3)cc2c1[nH]c1ccccc12 12117926 NJJBDTCFTRWVEB-UHFFFAOYSA-N 425.492 3.812 0 40 IHAB O=C(c1cccc(F)c1)N1CCN(c2ncc(-c3cnccn3)c(-c3cccs3)n2)CC1 12184714 GWPWWVOUQXGJJV-UHFFFAOYSA-N 446.511 3.764 0 40 IHAB O=C(NC[C@H]1CCCO1)c1ccccc1NS(=O)(=O)c1cc(Cl)sc1Cl 12508198 WBNTVRSEGPRTAJ-SNVBAGLBSA-N 435.354 3.765 0 40 IHAB Cc1ccc([C@H](C(=O)NCc2ccco2)N(C(=O)C(=O)NC2CCCCC2)C(C)C)cc1 12641425 SBPHCWFCPRECHG-JOCHJYFZSA-N 439.556 3.631 0 40 IHAB CCCc1cc(=O)[nH]c(SCC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)n1 12746270 DLSXKGYGWGPXOR-CQSZACIVSA-N 428.583 3.830 0 40 IHAB O=C(c1ccc(OC(F)(F)F)cc1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1 12817252 NJWBFQUMCIRWOQ-INIZCTEOSA-N 447.413 3.643 0 40 IHAB CC(C)(C)c1ccc(OC[C@@H](O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)CCC4)C2=O)cc1 12922064 ZHVJKNLCKXISMY-LVXARBLLSA-N 436.552 3.680 0 40 IHAB COc1ccc(C(=O)NCc2ccccc2F)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C 13041349 GSOABEACXNIAQE-KXBFYZLASA-N 434.533 3.621 0 40 IHAB COc1cccc([C@H]2CC(=O)Nc3nc(SCc4cccc(C)c4)[nH]c(=O)c32)c1OC 13567266 UWENEYIAVKMJPP-MRXNPFEDSA-N 437.521 3.862 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(OC)c(Cl)c2)ccc1OC 13581419 VTTADKXSFGVOLB-UHFFFAOYSA-N 426.922 3.640 0 40 IHAB COc1ccc(-c2noc(CN([C@H]3CCCc4ccccc43)S(C)(=O)=O)n2)c(OC)c1 13625494 IITCNOCTWKRFLU-IBGZPJMESA-N 443.525 3.593 0 40 IHAB CCOc1ccccc1Nc1nnc(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)s1 13865683 SDZRNTRVBKFYFA-UHFFFAOYSA-N 442.526 3.581 0 40 IHAB CCOc1ccc([C@@H](C)NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1OCC 15471205 XRHLFQLDLQDXTA-QGZVFWFLSA-N 446.569 3.760 0 40 IHAB COc1cccc([C@H]2C3=C(N=c4s/c(=C/c5ccco5)c(=O)n42)c2ccccc2CC3)c1 16227998 CQMLRFPMFZSUHN-NLZIUFDSSA-N 440.524 3.920 0 40 IHAB COc1ccc(Br)cc1/C=C/C(=O)NC(=S)Nc1cc(C(=O)O)ccc1C 16347659 ZSJOESYBCGRXHB-VMPITWQZSA-N 449.326 3.991 0 40 IHAB O=C(COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)c1ccc(Cl)cc1 17720489 LWLFJFSXWLTJNX-YQMDMEMYSA-N 435.863 3.691 0 40 IHAB Cc1nc(C)n(CCC(=O)N2CCO[C@@H](c3ccc(Cc4cccc(Cl)c4)cn3)C2)n1 19692409 CXGHOATZJGBPGU-JOCHJYFZSA-N 439.947 3.524 0 40 IHAB CC(=O)N1CCO[C@H](c2c(C(=O)NCCN(C(C)C)C(C)C)sc3ccccc23)C1 19696906 OXJHDVHLACRRTB-IBGZPJMESA-N 431.602 3.670 0 40 IHAB Cc1nc([C@@]2(O)CCCN(c3ncccn3)CC2)sc1COc1ccc(F)c(F)c1 19705214 VOCCXLPWEUFAGM-OAQYLSRUSA-N 432.496 3.977 0 40 IHAB COc1cccc(CC(=O)N2CC[C@@H](c3ncc(C(=O)Nc4ccccc4F)c(C)n3)C2)c1 19758040 BNPGSBLNDCHVAM-GOSISDBHSA-N 448.498 3.744 0 40 IHAB Cc1ncc(C(=O)NC2CCCCC2)c([C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)n1 19767094 KWJXRPZMUBQCSX-HXUWFJFHSA-N 446.548 3.512 0 40 IHAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1Cl 20015250 CAUHQGWNAWBAPH-ZDUSSCGKSA-N 445.368 3.890 0 40 IHAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(F)cc2)cc1C(=O)N1CCC(C)CC1 20046737 UADAXQZJVKJRIG-INIZCTEOSA-N 434.533 3.746 0 40 IHAB COc1ccc([C@@H](C)NC(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1 20105582 WIICLALGLSNXKS-GFCCVEGCSA-N 431.341 3.645 0 40 IHAB CN1c2ccccc2-c2nc(SCC(=O)c3ccc(Cl)cc3)ncc2S1(=O)=O 20582750 VNXHEBLLVGYAKU-UHFFFAOYSA-N 431.926 3.911 0 40 IHAB Cc1cc(=O)oc2cc(OCC(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)c(Cl)cc12 21391244 YXIFUGMYXKEARX-ZDUSSCGKSA-N 429.856 3.782 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)Nc1ccc2c(c1)OCCO2 21897161 XPFYSNDUUMAIBX-UHFFFAOYSA-N 442.468 3.958 0 40 IHAB Cc1nc(COc2ccc(C(=O)NCc3ccccc3CN3CCOCC3)cc2)cs1 22025299 BVRKSEXTIISBGD-UHFFFAOYSA-N 437.565 3.793 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(C)cc3)cc2)c(OC)c1 22524489 FFYJBRYHBMNGPO-UHFFFAOYSA-N 440.521 3.994 0 40 IHAB CCOC(=O)c1c(NC(=O)CN2CCCN(Cc3ccccc3)CC2)sc2c1CCC2 22930935 AKKQRXPGXNGXRM-UHFFFAOYSA-N 441.597 3.560 0 40 IHAB O=C(CNC(=O)c1cccc(F)c1)NCc1ccc(-c2ccc(Br)cc2)o1 23081977 HOZLCWULPYHHQC-UHFFFAOYSA-N 431.261 3.894 0 40 IHAB Cc1cccn2c(=O)cc(COC(=O)c3ccc4c(c3)C[C@@H](c3ccccc3)OC4=O)nc12 23267663 XMBBECIQGLEJCI-QFIPXVFZSA-N 440.455 3.814 0 40 IHAB O=C(CN1C(=O)NC2(CCCCCC2)C1=O)N[C@@H](c1ccc(F)cc1)c1cccs1 23846027 DTAXOKGCQQDBGA-IBGZPJMESA-N 429.517 3.738 0 40 IHAB COCCCn1c(=O)c2ccccc2n2c(SCCCOc3ccc(F)cc3)nnc12 23942438 CHGVIIHCZUUJSR-UHFFFAOYSA-N 442.516 3.781 0 40 IHAB C[C@@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)CSc1cccc[n+]1[O-])OCCO3 24842441 OXSJRXXIMBLWKH-MRXNPFEDSA-N 426.538 3.599 0 40 IHAB O=C(NC1CC1)c1ccc(CN(C(=O)COc2ccc(Br)cc2)C2CC2)cc1 26897181 KSKWMEJTLIROCB-UHFFFAOYSA-N 443.341 3.911 0 40 IHAB Cc1cccc2c(=O)cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3)oc12 27995158 HDEQJRFELJAXJI-UHFFFAOYSA-N 440.521 3.918 0 40 IHAB O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1cccc(CN2CCCC2=O)c1 29477250 GOCPSFTVESIJCY-UHFFFAOYSA-N 435.505 3.956 0 40 IHAB COC(=O)C[C@@H](NC(=O)c1csc(-c2cccc(OC)c2OC)n1)c1cccs1 29632885 QKYBVMJTLZUXMP-CYBMUJFWSA-N 432.523 3.923 0 40 IHAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)CC(=O)Nc1ccccc1Oc1ccccc1 32542038 YZQPONPBMDXBDB-KRWDZBQOSA-N 439.537 3.758 0 40 IHAB COc1ccc(CCn2c(C)cc(C(=O)COC(=O)[C@H]3COc4ccccc4O3)c2C)cc1 34702752 DPEXFGKMSXNXMK-RUZDIDTESA-N 449.503 3.922 0 40 IHAB CCCn1c(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)nc2ccccc21 34863670 JJJNJVWGAJOYPB-UHFFFAOYSA-N 435.553 3.975 0 40 IHAB COc1ccc(CCNC(=O)C2CCN(c3nc4ccccc4s3)CC2)cc1OC 35313162 ZEWCFTOZUDIUNI-UHFFFAOYSA-N 425.554 3.889 0 40 IHAB COc1ccc(-c2nn3c(c2C)N=C(O)C[C@@H]3C(=O)Nc2cccc(NC(C)=O)c2)cc1 35684876 VFYDFSZVGCAJPU-LJQANCHMSA-N 433.468 3.997 0 40 IHAB O=C1N[C@@H]2CS[C@@H](CCCCC(=O)N3CCC(c4nc5ccccc5s4)CC3)[C@H]2N1 36390040 XMSNOZBJEWQKIQ-KPFFTGBYSA-N 444.626 3.728 0 40 IHAB CCc1ccc(-c2nn(-c3ccccc3C)cc2C(=O)NCc2nnc3n2CCC3)cc1 36398357 YZNOAULJUXVWRS-UHFFFAOYSA-N 426.524 3.878 0 40 IHAB Cc1ccc(Cn2cc(Br)c(NC(=O)c3cc(C)nc4c3cnn4C)n2)cc1 36616637 QIBOXTGOULZWDJ-UHFFFAOYSA-N 439.317 3.845 0 40 IHAB COCCCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3cccc(OC)c3)c2c1=O 48989115 XJPGILIDULHMBY-UHFFFAOYSA-N 446.507 3.549 0 40 IHAB COc1cc2[nH]c(CN3CCC(c4nc5ccccc5s4)CC3)nc(=O)c2cc1OC 57456611 YGBMASRKCSKNEZ-UHFFFAOYSA-N 436.537 3.930 0 40 IHAB CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)Nc1c(C)cc(C)cc1C 58354905 DEBKBUIFOPSJGZ-VGSWGCGISA-N 435.568 3.666 0 40 IHAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(I)cc3)CC2=O)c(C)c1 59227383 KASQAGOHRZIHSC-AWEZNQCLSA-N 434.277 3.900 0 40 IHAB CCOC(=O)N1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc4c(c3)OCCO4)=NN12 67172418 ZOMBCUNDSQMNQA-HXUWFJFHSA-N 449.507 3.950 0 40 IHAB CSc1ccc([C@@H]2NC(=O)N(CC(=O)Nc3cccc(Cl)c3)C3=C2C(=O)OC3)cc1 71326829 BKHLXNCPACUYOW-IBGZPJMESA-N 443.912 3.578 0 40 IHAB COc1ccc2c(ccn2CCNC(=O)CCc2cc3c(C)cc(=O)oc3cc2OC)c1 72325270 KAVYOLIUVIQGEK-UHFFFAOYSA-N 434.492 3.822 0 40 IHAB biogenic Cc1cc(-c2cc(=O)n(CC(=O)NCc3cccc(F)c3)nc2-c2ccc(C)s2)on1 72337636 KDGIKIBOQFGIDD-UHFFFAOYSA-N 438.484 3.699 0 40 IHAB COc1cccc(CN2CCC[C@H](c3cc(C(=O)NC4Cc5ccccc5C4)on3)C2)c1 72352772 XPGQKUDOMPLSGW-NRFANRHFSA-N 431.536 3.960 0 40 IHAB CCNC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)c2cccnc2N)C1 72390577 BQHIIWYMCKIMHV-SANMLTNESA-N 428.536 3.542 0 40 IHAB CCCSc1ncc(CN2CCC[C@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)cn1 72394315 ZZFODCUCCNNASI-HNNXBMFYSA-N 441.022 3.810 0 40 IHAB CCN(CCN(C)CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 79021469 JLTITAAIAOGYRW-INIZCTEOSA-N 433.902 3.535 0 40 IHAB CCOc1cc(CCC(=O)NC[C@H]2CC[C@H](c3nn(C)cc3-c3cc(C)no3)CC2)on1 100744089 QKKFKPYDNWZRQJ-CALCHBBNSA-N 441.532 3.793 0 40 IHAB Cc1cc(=O)oc2cc(OCC(=O)NC(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)c(Cl)cc12 106538367 UJZVHULESKUUKL-YXWQFLTLSA-N 432.904 3.784 0 40 IHAB CN(C(=O)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1)C1CCCC1 216386038 FZLFUPGHZMGVTA-FQEVSTJZSA-N 434.945 3.697 0 40 IHAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](c2ccccc2)c2cccc(C)c2)cc1 223154050 FRYNGCJCFYGQSC-DEOSSOPVSA-N 438.549 3.530 0 40 IHAB CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2C(=O)O)o1 223284479 MPMFQGWCYIWSGU-LEWJYISDSA-N 436.537 3.574 0 40 IHAB O=C(O)c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)cc1 223319817 XVXOXQSUVIXLPC-VLCRHTCISA-N 448.548 3.722 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(OCc3ccccc3)cc2)cc1C 224649134 PBVSYQGPRWQXBG-UHFFFAOYSA-N 441.505 3.863 0 40 IHAB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)[nH]c2C)cc1 225206432 LBEJEYDNZFEONL-YADHBBJMSA-N 435.553 3.789 0 40 IHAB CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@@H]5ON=C(c6ccc(Cl)cc6)[C@H]54)[C@H]3C2=O)cc1 248378530 JUKXLVWUIODHES-QLPDIPBASA-N 434.879 3.717 0 40 IHAB COc1ccccc1-n1c(C[C@H]2CCCN(C(=O)Nc3ccccc3Cl)C2)n[nH]c1=O 252570784 XECXZYIKWZTCSJ-OAHLLOKOSA-N 441.919 3.709 0 40 IHAB CCCOc1ccc(C=c2sc3nc(-c4ccccc4OC)nn3c2=O)cc1OCC 254626831 DMKUELISZOFDBA-UHFFFAOYSA-N 437.521 3.562 0 40 IHAB COCCC(=O)N[C@@]1(C)C[C@H](c2ccc(N3CCOCC3)c(F)c2)O[C@@H]2C[C@H](C)CC[C@H]21 257331049 XRESFXBIRBRRSA-OMBZOEPOSA-N 448.579 3.840 0 40 IHAB COC(=O)c1ccccc1NC(=O)c1cccc(NC(=O)c2ccc(OC)c(OC)c2)c1 408679766 HAJILKVLVXMGAO-UHFFFAOYSA-N 434.448 3.995 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCCSCc1cccc(Cl)c1)c1ccccc1 408695209 NORGHKWUATWRIC-UHFFFAOYSA-N 441.018 3.936 0 40 IHAB O=C(O)CCc1ccc(-c2cccs2)n1NC(=O)C[C@@H]1Sc2ccccc2NC1=O 408969536 PSLZZWXHMVVZDL-SFHVURJKSA-N 441.534 3.807 0 40 IHAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2Br)cc1 409206934 RIVURHBRIIHKTQ-CYBMUJFWSA-N 441.347 3.543 0 40 IHAB Cn1c(CC(=O)Nc2ccccc2)nnc1SCC(=O)Nc1cccc2ccccc12 409326824 DZVXBUIKEGMKQG-UHFFFAOYSA-N 431.521 3.880 0 40 IHAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@H](C(=O)Nc1cn[nH]c1)c1ccccc1 512870434 KOZZFWZSMMJHTE-SFHVURJKSA-N 449.492 3.735 0 40 IHAB COc1ccc([C@@H](CNC(=O)COc2c[nH]c(C)cc2=O)c2c[nH]c3ccccc23)cc1 524735524 HUMKLFGNQDBPJX-HXUWFJFHSA-N 431.492 3.500 0 40 IHAB O=C(NC[C@@H]1CCC2(CCN(c3ncccn3)CC2)CO1)C1(c2ccc(Cl)cc2)CC1 585101221 OUABESRCZHYFPK-FQEVSTJZSA-N 440.975 3.744 0 40 IHAB O=C1CCCC[C@]2(CN(C(=O)c3ccccc3Cn3ccnc3)C[C@H]2c2ccc(F)cc2)N1 585261691 KOFYACMWMXSLIV-JYFHCDHNSA-N 446.526 3.739 0 40 IHAB COc1cc(F)c(S(=O)(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)c(F)c1 588832852 NMAMRJKGXCSQPA-UHFFFAOYSA-N 435.330 3.843 0 40 IHAB COc1ccc(-n2c(SCC(=O)NCc3ccccc3)nnc2-c2cccnc2)cc1 876566 AXDQPCZZTRUFHX-UHFFFAOYSA-N 431.521 3.746 0 40 IHAB O=C(Nc1nc2c(s1)CCc1ccccc1-2)c1ccc(S(=O)(=O)N2CCCC2)cc1 2478458 LUTMGRXRNZKQMJ-UHFFFAOYSA-N 439.562 3.946 0 40 IHAB O=C(CSc1nc(-c2ccc(Br)cc2)n[nH]1)NCCc1ccc(F)cc1 2624370 JXHWGJQGARCHLW-UHFFFAOYSA-N 435.322 3.824 0 40 IHAB COC(=O)c1ccc2c(=O)[nH]c3c(C(=O)N[C@H](C)c4ccccc4)sc(=S)n3c2c1 2956436 RVCQNMUHWFUKDE-LLVKDONJSA-N 439.518 3.849 0 40 IHAB COc1cc(CCC(=O)OCC(=O)c2ccccc2Br)cc(OC)c1OC 3297561 QAGSCKHBKQPALG-UHFFFAOYSA-N 437.286 3.834 0 40 IHAB COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(SC(F)F)cc2)n1N 3368336 ZEWNMIMQQYDENC-UHFFFAOYSA-N 437.497 3.713 0 40 IHAB O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)c2ccc(F)cc2)C1)c1ccc(F)cc1 4258915 YGMUPMPKABJSJK-MAUKXSAKSA-N 449.457 3.638 0 40 IHAB biogenic,in-vitro Cc1cc2cc(CN(CCN(C)C)C(=S)NCCc3ccccc3)c(=O)[nH]c2cc1C 6320698 KWQKCTMSNNOSAM-UHFFFAOYSA-N 436.625 3.626 0 40 IHAB COC(=O)Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(C1CC(C)(C)NC(C)(C)C1)C3 9134832 LXGJKACOQSEBDF-UHFFFAOYSA-N 442.556 3.586 0 40 IHAB CCc1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)N(CC)C(=O)C(C)(C)CO3)c1 9170867 JJYZOHHYOTUQSP-UHFFFAOYSA-N 432.542 3.830 0 40 IHAB CCCn1c(CCC(=O)Nc2ccccc2)nc2cc(S(=O)(=O)N3CCCC3)ccc21 9377586 QHDWHDKGMBTSAI-UHFFFAOYSA-N 440.569 3.802 0 40 IHAB C[C@H](Nc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 9411828 DOXZFYWANCGAOT-AWEZNQCLSA-N 441.475 3.929 0 40 IHAB COc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccc(Cl)cc3)C2=O)ccc1OC(F)F 9465274 KQUFPIWFXRSXIA-HXUWFJFHSA-N 438.814 3.600 0 40 IHAB O=C(COC(=O)c1ccccc1NC(=O)Cc1ccccc1)NCc1ccc(Cl)cc1 9540239 SPGZVOPBJPZORP-UHFFFAOYSA-N 436.895 3.994 0 40 IHAB COc1ccc(CCNC(=O)N[C@@H](CCSC)c2nc3ccccc3[nH]2)cc1OC 9679771 MPBNMPVQFOCLQJ-SFHVURJKSA-N 428.558 3.916 0 40 IHAB Cc1nc2ccc(NC(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)cc2s1 9683969 AZVKJTGZFYRARQ-UHFFFAOYSA-N 433.530 3.783 0 40 IHAB COc1ccc(OC)c([C@H]2CCCN2C(=O)CNC(=O)Cc2cccc3ccccc23)c1 9949025 JQWBFIUYKHUTEC-HSZRJFAPSA-N 432.520 3.879 0 40 IHAB O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)C1CCN(C(=O)c2ccco2)CC1 10060220 MPOBLFGUBTXUMS-UHFFFAOYSA-N 430.917 3.866 0 40 IHAB Cc1cc(SCC(=O)N2CCN(c3nccs3)CC2)c(C)cc1Br 10270416 GISZNRRKGJSTDC-UHFFFAOYSA-N 426.405 3.963 0 40 IHAB CCOc1cc([C@@H]2[C@H](C(=O)Nc3ccc(Cl)cc3)[C@@H](C)Nc3ncnn32)ccc1O 11694880 WBBMFNAKLGKZHU-QQGDVQBRSA-N 427.892 3.694 0 40 IHAB COc1ccc(Nc2nc(Nc3ccc4ncccc4c3)nc(N3CCOCC3)n2)cc1 12235191 CIQUHQIXFKEPDE-UHFFFAOYSA-N 429.484 3.752 0 40 IHAB COC(=O)c1ccc2c(=O)n(CCCC(=O)N[C@@H](C)c3ccccc3)c(=S)[nH]c2c1 12415909 FPVVXIVAVDDKIO-AWEZNQCLSA-N 425.510 3.503 0 40 IHAB CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2)cc(Br)c1O 12464188 FFBMJIMMXPIMNS-KRWDZBQOSA-N 446.301 3.820 0 40 IHAB Cc1cccc(-n2ccnc2SCC(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)c1C 12520582 KLYJQNGSYUHABX-UHFFFAOYSA-N 439.566 3.538 0 40 IHAB CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1)c1ccccc1 12738822 WEUULSFGIDGMAX-HZPDHXFCSA-N 436.961 3.805 0 40 IHAB COc1ccc(-c2noc(CN(C(C)C)S(=O)(=O)c3ccc(C)cc3)n2)cc1OC 12843397 ZDHYIEAIJWIPHK-UHFFFAOYSA-N 431.514 3.662 0 40 IHAB O=C(c1ccc(-c2ccc(Cl)cc2)o1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 12986445 OLWGBABYJODHQP-UHFFFAOYSA-N 448.903 3.886 0 40 IHAB COc1cc(C(=O)NCc2ccc(CN3CCCC3)cc2)cc(OC)c1Br 12986883 BAXIXJKYBLBDSC-UHFFFAOYSA-N 433.346 3.992 0 40 IHAB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1cc2c(C)nn(C)c2s1 13001733 ISLXTHWUGSDKCW-UHFFFAOYSA-N 435.347 3.725 0 40 IHAB CC(C)NS(=O)(=O)c1ccc(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)cc1 13002502 DTJGGBUCFIMHDF-UHFFFAOYSA-N 449.479 3.878 0 40 IHAB C[C@@H]1CCc2sc(-c3nnc(SCC(=O)Nc4ccc5[nH]c(=O)[nH]c5c4)o3)cc2C1 13016049 ZFZKFBRWMRIQMG-SNVBAGLBSA-N 441.538 3.823 0 40 IHAB Cc1cccn2cc(CN3C(=O)N[C@@](C)(CCc4ccc(OC(F)F)cc4)C3=O)nc12 13059634 DLCHLTZLHQYKCU-QFIPXVFZSA-N 428.439 3.687 0 40 IHAB COc1ccc(-n2c(SCC(=O)O)nc3sc4c(c3c2=O)C[C@H](C(C)C)OC4)cc1 13552512 ZJRVXOQYTFKFOB-OAHLLOKOSA-N 446.550 3.730 0 40 IHAB O=C(Cn1c(=O)c2sccc2n(Cc2cccc(Cl)c2)c1=O)Nc1ccc(F)cc1 13592664 OFWUMCWUFPUFTE-UHFFFAOYSA-N 443.887 3.704 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)[C@H](CC)N(c1cccc(Cl)c1)S(C)(=O)=O 13712039 IURSCFFUIZYMHL-SFHVURJKSA-N 438.933 3.700 0 40 IHAB COC(=O)c1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1 13770300 ILCHIIFNDOHHNR-AVRDEDQJSA-N 447.487 3.921 0 40 IHAB O=C(COc1cccc(Cl)c1)NCCCn1nc(-c2ccc(Cl)cc2)ccc1=O 13801857 CPMDRUQXTGRXGA-UHFFFAOYSA-N 432.307 3.802 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(N2CCOCC2)cc1 14397619 HSLCMIRYYHMMEE-UHFFFAOYSA-N 437.521 3.576 0 40 IHAB COc1ccc([C@H]2CCCN2CC(=O)N(C)CC(=O)Nc2ccccc2Cl)c(OC)c1 16382284 RTLOMBFIVNVGQV-HXUWFJFHSA-N 445.947 3.591 0 40 IHAB Cc1cccn2c(=O)nc(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)nc12 16689574 KCGWUVHSSJEOHU-UHFFFAOYSA-N 428.823 3.801 0 40 IHAB Cc1cc(-n2c(C)cc(C(=O)OCC(=O)N(CC(F)(F)F)[C@@H](C)C3CC3)c2C)no1 16694677 DKSOFSPIRBZKQO-ZDUSSCGKSA-N 427.423 3.737 0 40 IHAB C[C@@H](OC(=O)c1ccc(C2SCCS2)cc1)C(=O)N1CC(=O)Nc2ccccc21 16833131 JSXAMQRJJDYUKA-CYBMUJFWSA-N 428.535 3.696 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2nc(CCC(=O)NCc3ccc(F)cc3)cs2)cc1 16848590 MZYRNNYCKMIJIR-UHFFFAOYSA-N 433.530 3.640 0 40 IHAB COc1ccc(CC(=O)NC2CCN(c3ncc(-c4cc(C)no4)c(C4CC4)n3)CC2)cc1 19121722 MKAHGQZIWJWPRN-UHFFFAOYSA-N 447.539 3.654 0 40 IHAB O=C(COc1ccccc1)N1CCCC[C@@H]1c1nc(O)c2c(n1)CN(C1CCCC1)CC2 19373454 LYJSQPQAPAHHFP-JOCHJYFZSA-N 436.556 3.616 0 40 IHAB CCCO[C@H]1CCCN(C(=O)CN2C[C@@H](c3csnn3)[C@H](c3ccc(Cl)cc3)C2)C1 19503776 CXEBHRXNICHLNA-SLFFLAALSA-N 449.020 3.792 0 40 IHAB Cc1cccc(CNc2n[nH]c3nc([C@@H]4CCN(C(=O)CC5(O)CCCCC5)C4)ccc23)n1 19705068 UGSMJIXJJPSOAD-GOSISDBHSA-N 448.571 3.675 0 40 IHAB CC(=O)N1CCCC[C@@H]1c1nc2c(c(NCCOc3cc(C)cc(C)c3)n1)CCN(C)C2 19708580 BMUKFCCWHYUJKY-HSZRJFAPSA-N 437.588 3.646 0 40 IHAB Cc1nc([C@@H]2CCN(C(=O)C3CCCC3)C2)nc2c1CCC(=O)N2Cc1cccc(F)c1 19738863 BLHMMNUOVQFEQA-LJQANCHMSA-N 436.531 3.910 0 40 IHAB Cc1cc(N2CC[C@@H](c3nc(C)c4c(n3)N(Cc3cccc(F)c3)C(=O)CC4)C2)nc(C)n1 19738879 ZEXHTJDKNHOIMP-LJQANCHMSA-N 446.530 3.804 0 40 IHAB CNC(=O)c1cnc(C)nc1CC1CCN(C(=O)c2ccccc2-c2ccccc2)CC1 19756850 LIFNQHJFENAPHX-UHFFFAOYSA-N 428.536 3.907 0 40 IHAB CN1C[C@@H](NC(=O)c2ccc3ccccc3c2)C[C@H]1c1nc(-c2ccc3c(c2)OCO3)no1 20464366 IQFNZRIMWJMOEL-PMACEKPBSA-N 442.475 3.794 0 40 IHAB biogenic,in-vitro CCN(CC)C(=O)[C@@H](C)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3ccncc3)[C@@H](C)[C@@H]2[C@H]1O 20467009 DAUFKBGGFYGUDN-XWGHHAAHSA-N 429.605 3.508 0 40 IHAB biogenic,in-vitro CCCCN1C(=O)[C@H](C(=O)OCC)[C@@H](c2ccc(OC)c(O)c2)n2c1nc1ccccc12 20675911 DYSGZBWSUQPSFT-NHCUHLMSSA-N 437.496 3.666 0 40 IHAB CCCCCNC(=O)COc1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1 22233251 LPYSKDVXRVFOLI-UHFFFAOYSA-N 438.977 3.991 0 40 IHAB CCCCNC(=O)c1ccccc1NC(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 22394106 XQMBBXFTQFOVJC-UHFFFAOYSA-N 445.585 3.745 0 40 IHAB Cc1ccc(-c2nnc(CCC(=O)OCc3cc(=O)n4c(n3)sc3ccccc34)o2)cc1 24829426 ZMPLZNLLCNSSIZ-UHFFFAOYSA-N 446.488 3.944 0 40 IHAB CC1CCN(C(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CC2)CC1 26108850 HRZHYGFDKBDIBM-UHFFFAOYSA-N 433.401 3.794 0 40 IHAB CN(C(=O)CSc1ncnc2ccsc12)c1ccccc1C(=O)NCc1ccco1 26961924 HQEZALCGUZSZOF-UHFFFAOYSA-N 438.534 3.969 0 40 IHAB COc1ccc(CSc2nnc(Nc3cccc(OC)c3)c(=O)n2-n2cccc2)cc1 28534927 AAGIFEMDTVMZTD-UHFFFAOYSA-N 435.509 3.804 0 40 IHAB Cc1cc(=O)c(C(=O)N(C)Cc2nc3ccccc3[nH]2)nn1-c1ccccc1C(F)(F)F 29331177 OEUIJZFPSJZROQ-UHFFFAOYSA-N 441.413 3.708 0 40 IHAB CN(CC(=O)Nc1ccccc1Cl)[C@@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 32891455 VVWBDVGHMKVAQH-MRXNPFEDSA-N 440.714 3.849 0 40 IHAB Cc1ccccc1C(=O)N1CCC(C(=O)NC[C@H](c2ccccc2Cl)N(C)C)CC1 32988574 DYQTYYRRVAQHKM-JOCHJYFZSA-N 427.976 3.920 0 40 IHAB COc1ccc([C@H](CNC(=O)COc2ccc(-c3ccccc3)cc2)N2CCOCC2)cc1 33530538 XCBDKUQLMWHYBE-SANMLTNESA-N 446.547 3.931 0 40 IHAB CC(C)OC(=O)c1cccc(NC(=O)CSc2nnc(COc3ccccc3)n2C)c1 33595765 IAHHXBKXCXLDFF-UHFFFAOYSA-N 440.525 3.690 0 40 IHAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 36686592 AKGVSOAJIINHFW-UHFFFAOYSA-N 447.004 3.542 0 40 IHAB CCSc1nnc(NC(=O)Cc2csc(NC(=O)/C=C/c3ccccc3)n2)s1 38739463 PSZZVEWFKDLPNZ-CMDGGOBGSA-N 431.568 3.940 0 40 IHAB COc1ccc([C@@H](CNC(=O)c2nc(N3CCCC3)ncc2Cl)N2CCCCC2)cc1 40140857 BSSCDHQPSUIFSX-HXUWFJFHSA-N 443.979 3.696 0 40 IHAB c1ncc(-c2ccc(-c3noc([C@@H]4CCCN4Cc4ccc5c(c4)OCO5)n3)cn2)cn1 49155318 WXSOBVSWSRDVRI-IBGZPJMESA-N 428.452 3.654 0 40 IHAB biogenic,in-vitro COc1ccc(N(Cc2cc(F)cc(F)c2)S(=O)(=O)c2ccc3nnc(C)n3c2)cc1 49408340 FKWYALJQLHGGQM-UHFFFAOYSA-N 444.463 3.720 0 40 IHAB CCc1ccc(NC(=O)CN2CN(c3cccc(F)c3)c3ncccc3S2(=O)=O)cc1 49411502 PPBRLLNDNAKNTL-UHFFFAOYSA-N 440.500 3.522 0 40 IHAB O=C(/C=C/c1ccco1)NC(=S)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 57316715 JEZCJINBSJYCKF-ONEGZZNKSA-N 447.841 3.726 0 40 IHAB Cn1ccnc1[C@](O)(CC(=O)NCc1ccc(Oc2ccc(F)cc2)cc1)C(F)(F)F 58564164 ROEFNGOANVJGCX-HXUWFJFHSA-N 437.393 3.808 0 40 IHAB O=C(Nc1nnc([C@@H]2CCCO2)s1)c1cc(=O)c(OCc2ccc(Cl)cc2)co1 61721826 UAVADKXSALVQDY-AWEZNQCLSA-N 433.873 3.828 0 40 IHAB Cc1ccc(-n2c(SCC(=O)NCc3ccccc3F)nc3cc(C)[nH]c3c2=O)cc1 67319576 NSKMJMIXGAMMBQ-UHFFFAOYSA-N 436.512 3.878 0 40 IHAB CCc1noc(-c2ccnc(-n3cnc(C(=O)NCc4ccc(F)c(Cl)c4)c3)c2)n1 71768527 ZOJGPLIJALDKDQ-UHFFFAOYSA-N 426.839 3.602 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)Nc1ccccc1[S@@](C)=O 78899484 PPRYZZXXSPCNCJ-OLRZCDJHSA-N 434.583 3.548 0 40 IHAB CC(C)S(=O)(=O)Cc1cccc(NCC(=O)Nc2ccccc2Br)c1 79002897 XDOCGWDDZFHZBH-UHFFFAOYSA-N 425.348 3.823 0 40 IHAB COc1cc(/C=C2/N=C3CCCCCN3C2=O)ccc1OCC(=O)N[C@H]1CCCC[C@@H]1C 96831501 JTUWAQPSQSJEBM-LOWPNFGMSA-N 439.556 3.925 0 40 IHAB CCSCc1nc(O)c2nnn(C3CCN(CC4=CC[C@H]5C[C@H]4C5(C)C)CC3)c2n1 100142827 IENGYBVRHALJOJ-DOTOQJQBSA-N 428.606 3.809 0 40 IHAB CC[C@]1(C)c2sc(=O)[nH]c2S[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]21 101261867 ZAKUGGPVOJYUBM-RLFDGXBXSA-N 428.457 3.787 0 40 IHAB C[C@@H](NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)[C@H]1C[C@H]2CC[C@H]1C2 108933305 BEIZABVBAPSJGG-MXTNKPTQSA-N 434.583 3.590 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1Cl 216480317 KQRYGLDLQFPPKI-UHFFFAOYSA-N 438.933 3.538 0 40 IHAB CC[C@@H](C(=O)N[C@H]1CC(C)(C)Oc2ccccc21)N(c1ccc(C)cc1)S(C)(=O)=O 219101033 CDIJXWVVPFFDEC-PMACEKPBSA-N 430.570 3.958 0 40 IHAB COc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3cccc(C)c3C)n2)c(OC)c1 219311950 YUBSKCGNNMPBEJ-MRXNPFEDSA-N 425.485 3.797 0 40 IHAB CC[C@@H](NC(=O)c1cc(N(C)S(C)(=O)=O)ccc1Cl)c1ccc(OC)c(OC)c1 222506071 HHLKDQMFRMQMEJ-QGZVFWFLSA-N 440.949 3.634 0 40 IHAB C[C@@H](C(=O)Nc1nnc(SCc2ccccc2)s1)N(c1ccccc1)S(C)(=O)=O 223184026 DRKNHCRSKSIVNP-AWEZNQCLSA-N 448.595 3.624 0 40 IHAB COc1ccc(S(=O)(=O)NC[C@H](C)c2ccccc2)cc1C(=O)N1CCC(C)CC1 224164680 ATIBODIRKKPUNC-SFHVURJKSA-N 430.570 3.649 0 40 IHAB COc1cccc(CN(C(=O)COc2cc(C)cc(C)c2)[C@@H](C)C(=O)NCC(C)C)c1 224441238 XFXCWOXRINRVBO-FQEVSTJZSA-N 426.557 3.880 0 40 IHAB COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3F)cc2)cc1OC 224538771 DHKNCEWTQUINLS-UHFFFAOYSA-N 444.484 3.825 0 40 IHAB O=C(/C=C/c1ccc(Br)cc1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 225730133 MPXQGJJSZBCMOF-ZZXKWVIFSA-N 441.251 3.620 0 40 IHAB CCCCC(=O)NC(=S)Nc1c(Br)cc(C(=O)O)cc1Br 226354715 JYXOVEOULRNFDB-UHFFFAOYSA-N 438.141 3.913 0 40 IHAB Cc1nc2c(c(N3CCC(NS(=O)(=O)c4cccc5ccccc45)CC3)n1)CCCC2 244998711 KQNFSPZQHCMBFR-UHFFFAOYSA-N 436.581 3.764 0 40 IHAB O=S(=O)(N[C@@H]1CC[C@@H]2OCCO[C@H]2C1)c1ccc(-c2cccc(C(F)(F)F)c2)cc1 253408258 XJYXYWIIMVMLKR-HOJAQTOUSA-N 441.471 3.987 0 40 IHAB COc1cc2c(cc1CN1CCO[C@H](c3cc(Nc4ccccn4)cc(C)n3)C1)OCCO2 257201825 AJEBVFLJYXHXMM-DEOSSOPVSA-N 448.523 3.882 0 40 IHAB COc1ccc(C(=O)N2CCN(C)[C@H](c3ccccc3OC)C2)cc1NCc1cccnc1 257332833 XYWQRJYFUSDKGU-QHCPKHFHSA-N 446.551 3.840 0 40 IHAB CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1 408606291 OOFWNCWIWSOUKQ-ZDUSSCGKSA-N 428.913 3.819 0 40 IHAB CCOc1ccccc1NC(=O)COc1ccc(S(=O)(=O)N2CCCCCC2)cc1 408624501 QNQYVIUDOZBDNI-UHFFFAOYSA-N 432.542 3.668 0 40 IHAB Cc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)ccc1NC(=O)c1ccccc1 408626293 VVCUIMAERALIHL-UHFFFAOYSA-N 449.576 3.754 0 40 IHAB Cc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccccc3Cl)[C@@H]2c2ccc(C)cc2)cc1 409052197 GTBQYFHJIUFXCJ-VNGKGULCSA-O 432.931 3.973 0 40 IHAB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cccn2-c2ccc(Br)cc2)C1=O 409103404 WKNZZIBMMKIHJP-HGLKBHAMSA-N 435.299 3.838 0 40 IHAB CCCCNC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1 409126630 LVKAOGBTIGEQML-UHFFFAOYSA-N 439.375 3.869 0 40 IHAB CCC(=O)Oc1ccc(Br)cc1/C=C1/N=C(c2ccc3c(c2)OCO3)OC1=O 409188766 AHMXTQBOXKJBCV-RIYZIHGNSA-N 444.237 3.838 0 40 IHAB Cc1cccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3cccc(Cl)c3)n2C)c1 409350253 XRKSZMZAQCAHLQ-AWEZNQCLSA-N 443.960 3.999 0 40 IHAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCCCCC3)cc2)cc1 409388861 FRFFJWFGCKPMAX-UHFFFAOYSA-N 432.542 3.668 0 40 IHAB CCCc1cnc(Nc2cccc([C@]3(CO)CN(C(=O)OC(C)(C)C)CCO3)n2)s1 585262637 LSWBNJUPPHHTCY-OAQYLSRUSA-N 434.562 3.689 0 40 IHAB O=C1CN(Cc2cc(F)cc(F)c2)Cc2cc(CCCO)ccc2OCCCCCN1 643579493 BQZKMSIEBUAHIZ-UHFFFAOYSA-N 432.511 3.571 0 40 IHAB Cc1nc2ccccn2c1C(=O)N1CCC2(CC[C@H]2NC(=O)CCc2ccccc2)CC1 1614936550 BBHHSMNVFJMCAV-OAQYLSRUSA-N 430.552 3.777 0 40 IHAB CC(C)(C)NC(=O)CSc1nnc(NC(=O)c2ccccc2Br)s1 679273 YHZCRNXOZWPZNU-UHFFFAOYSA-N 429.365 3.560 0 40 IHAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3COc4ccccc4O3)cc2)c(C)c1 916474 PKTSOFVQKGXPJT-QFIPXVFZSA-N 438.505 3.883 0 40 IHAB NC(=O)COc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCC4)cc1Br 980349 WSZSCMLDPQTFBY-UHFFFAOYSA-N 448.342 3.547 0 40 IHAB O=C(CN1C(=O)c2ccc(Br)cc2C1=O)Nc1cccc(C(F)(F)F)c1 990733 DKSYLMNUKVZISR-UHFFFAOYSA-N 427.176 3.703 0 40 IHAB COc1cc(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2C)cc(OC)c1 1346316 HHFWKNYWXLTYRJ-UHFFFAOYSA-N 435.509 3.872 0 40 IHAB COC(=O)c1ccc(Oc2c(C)oc3cc(OC(=O)N4CCOCC4)ccc3c2=O)cc1 1448081 REPHGZTYTDTUJQ-UHFFFAOYSA-N 439.420 3.511 0 40 IHAB biogenic COC(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](c1ccc(Cl)cc1)P(=O)(OC)OC 1626666 PHLNZBHKQDKZBX-DLBZAZTESA-N 425.805 3.839 0 40 IHAB Cc1nc(S[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)c2cnn(-c3ccccc3)c2n1 2638123 FZOQYXCHMHVWGW-AWEZNQCLSA-N 447.520 3.650 0 40 IHAB Cc1nn(C)c(C(=O)Nc2ccn(Cc3cc(F)c(F)c(F)c3F)n2)c1Br 2786309 QKCSOBNKIVFSDD-UHFFFAOYSA-N 446.202 3.545 0 40 IHAB COc1ccc(C)cc1NC(=O)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12 3015485 IJIHIJDNMGWJSV-UHFFFAOYSA-N 433.508 3.792 0 40 IHAB COc1ccccc1CNS(=O)(=O)c1cc(Br)ccc1Br 3346283 CVGCQBIDGXRUQG-UHFFFAOYSA-N 435.137 3.699 0 40 IHAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCCN(C)C)ccc2Cl)cc1Cl 3363341 MNARHSGRWBZYML-UHFFFAOYSA-N 444.384 3.784 0 40 IHAB COc1ccc(COC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)cc1F 3390090 LGEXNJAPLCHCBK-UHFFFAOYSA-N 429.469 3.670 0 40 IHAB COc1ccc([C@H](O)c2nnc([C@H](O)c3ccc(OC)cc3)cc2-c2ccncc2)cc1 5011201 SEVAGXOPKGMBHQ-RPBOFIJWSA-N 429.476 3.719 0 40 IHAB Cc1cc(C(=O)Cn2nnc(-c3ccccc3Br)n2)c(C)n1-c1nccs1 8768302 AKYDBIIBQWPSHF-UHFFFAOYSA-N 443.330 3.850 0 40 IHAB Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(Br)o2)C[S@@](=O)C3)c(C)c1 8884919 IGBPLLNEIKFGEC-SANMLTNESA-N 434.315 3.859 0 40 IHAB C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)c2ccc3c(c2)-c2ccccc2C3)C1=O 9092678 FWTOKFZHEUHYQV-SANMLTNESA-N 440.455 3.636 0 40 IHAB COc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)NCc2ccc(C)cc2)cc1Cl 9238644 FILXEVQQHXEUBN-RBUKOAKNSA-N 443.960 3.632 0 40 IHAB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nc(SC)nn32)c(OC)c1 9409921 IKPPGELCOGXEJU-LJQANCHMSA-N 437.525 3.945 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)O[C@@H](C)c2nnc(-c3ccc(F)cc3)o2)cc1 9460332 BEFFMGWQDCPMDD-AWEZNQCLSA-N 447.488 3.824 0 40 IHAB Cc1ccccc1N1C[C@H](C)Cn2c1nc1c2c(=O)n(C/C=C/c2ccccc2)c(=O)n1C 9519317 BCMPVTURKUKWSG-FUNAXGEOSA-N 441.535 3.706 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1cc(C)c2ccccc2n1 9561854 WKZMMSJIYJSTOX-UHFFFAOYSA-N 429.567 3.833 0 40 IHAB COc1cccc(N2C[C@H](C(=O)Nc3nnc(C[C@H](C)c4ccccc4)s3)CC2=O)c1 9614749 JWMIIUALQLFRAG-DOTOQJQBSA-N 436.537 3.885 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3c(C(N)=O)oc4ccccc34)cc2)cc1 9714917 NXGKSRLSUBPRGM-UHFFFAOYSA-N 449.488 3.893 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)Nc1ccc(-n2c(C)nc3ccccc3c2=O)cc1 9715047 VLYWIYJAGIGHOQ-UHFFFAOYSA-N 435.505 3.812 0 40 IHAB C[C@@H](Sc1nnc(C(C)(C)C)n1N)C(=O)Nc1ccc(OCc2ccccc2)cc1 9884509 RFEOMNHOEGDEOP-OAHLLOKOSA-N 425.558 3.988 0 40 IHAB COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N1CCN(c2ccccn2)CC1 9950656 NVCVRIBIFOUTKN-UHFFFAOYSA-N 439.519 3.905 0 40 IHAB COc1cccc(Cn2c3cc(C)sc3c3cnn(CC(=O)OC(C)C)c(=O)c32)c1 12113554 ZLBNIPHNJIPIAI-UHFFFAOYSA-N 425.510 3.730 0 40 IHAB CC1(C)Cc2nc(-c3ccncc3)ncc2[C@H](NC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)C1 12221119 ZYKTWSOOBXUKIB-PGRDOPGGSA-N 447.583 3.850 0 40 IHAB O=C1COc2ccc(C(=O)COC(=O)c3c4c(nc5ccccc35)CCCCC4)cc2N1 12530097 VLTFMADAKZORSW-UHFFFAOYSA-N 430.460 3.874 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(Cc3ncc(-c4ccc(Cl)cc4)o3)CC2)cc1 12889897 QSAUWHPOHWIQDJ-UHFFFAOYSA-N 431.945 3.810 0 40 IHAB C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1cccc(Cl)c1 13005095 IEVVMGZLRMPBNS-ZDUSSCGKSA-N 443.352 3.505 0 40 IHAB O=C(CNc1ccc(F)c(Cl)c1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 13130279 VXFKIHSAOLPRJD-UHFFFAOYSA-N 425.913 3.704 0 40 IHAB Cc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)CNC(=O)c2ccco2)c2ccccc2)o1 13506643 ZNEDQEZVFBHUBE-HSZRJFAPSA-N 449.507 3.744 0 40 IHAB Cc1csc(NC(=O)CCC(=O)N(CC(=O)NC2CCCCC2)c2ccc(F)cc2)n1 13509574 SMLXFDSVZVBNGV-UHFFFAOYSA-N 446.548 3.791 0 40 IHAB COc1ccc(-c2nc(S(=O)(=O)c3ccc4c(c3)OCCO4)c(N3CCCC3)o2)cc1 13731496 RIRIXVXYHVHVKB-UHFFFAOYSA-N 442.493 3.554 0 40 IHAB O=C(c1ccccc1)c1ccccc1C(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 14185247 NGAGMHDGJAVFFK-UHFFFAOYSA-N 426.516 3.811 0 40 IHAB CCOc1cc(C=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 15277324 IRGKRIAVSCMUEE-UHFFFAOYSA-N 446.262 3.579 0 40 IHAB CC(=O)[C@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 16035169 ZSZIGROPSJVVEQ-FUMNGEBKSA-N 437.293 3.554 0 40 IHAB COc1ccccc1/C=C/C=c1\sc2nc(/C=C/c3ccc(OC)c(OC)c3)nn2c1=O 16742275 FGLCLJKWCRZJNI-HLLOXFMXSA-N 447.516 3.560 0 40 IHAB COc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1cc(Cl)cc(Cl)c1OC 17096296 AJWYKCPMMPTHBA-UHFFFAOYSA-N 429.281 3.836 0 40 IHAB C[C@H](OC(=O)C1CCN(C(=O)c2cccs2)CC1)C(=O)N[C@H]1CCCc2ccccc21 17134403 JDVVKQXLICKDMU-JXFKEZNVSA-N 440.565 3.726 0 40 IHAB CC(C)(C)CC(=O)N1CCO[C@@](Cc2cccc(-c3cccnc3)c2)(C(=O)NC2CC2)C1 19082685 PRPQXIPJHDIWKK-AREMUKBSSA-N 435.568 3.604 0 40 IHAB COCC(=O)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2cnc(-c3ccccc3C)nc2)C1 19237552 WYWPOPFFKUAXBD-OFVILXPXSA-N 445.567 3.563 0 40 IHAB CCNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CN(C(=O)CC2CCCCC2)CCO1 19529245 SRCZRZBYWDVULT-MHZLTWQESA-N 449.595 3.995 0 40 IHAB COc1cccc(C(=O)N2CCNC(=O)[C@H](Cc3cccc(-c4cccc(OC)c4)c3)C2)c1 19566693 NCVKQNRXXBLETF-HSZRJFAPSA-N 444.531 3.802 0 40 IHAB COc1cc(NC(=S)NC(=O)c2ccccc2C)ccc1N1C(=O)c2ccccc2C1=O 19643418 NQSBQXXDBBZIFN-UHFFFAOYSA-N 445.500 3.931 0 40 IHAB CC(C)CNC(=O)c1cc([C@@H]2CN(C(=O)COc3ccccc3)CCO2)nc2ccccc12 19762919 SGNMWNIYHHQRTO-DEOSSOPVSA-N 447.535 3.600 0 40 IHAB CSc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2C)cc1 20021844 ZLAXIMRXCYEIAH-KRWDZBQOSA-N 448.610 3.758 0 40 IHAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 21346928 LVOYHNIIRSEGPU-FQEVSTJZSA-N 427.504 3.917 0 40 IHAB O=C(CSc1ncn(-c2ccccc2)n1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 21756685 HHHURJNFUWAOMC-LJQANCHMSA-N 436.537 3.884 0 40 IHAB CC(C)Oc1cccc(CCCNC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)c1 22330864 DHGJSNMDFDIWLW-UHFFFAOYSA-N 438.977 3.642 0 40 IHAB COC(=O)c1c(C)[nH]c(C(=O)N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1C 24842891 LWZPYPCYQODYQX-UHFFFAOYSA-N 437.462 3.785 0 40 IHAB O=C(Nc1nnc(-c2ccco2)s1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 24927993 MOOFGDOTYWOUAI-JTQLQIEISA-N 433.287 3.552 0 40 IHAB Cc1c(NC(=O)CCN(C)Cc2ccccc2C(F)(F)F)c(=O)n(-c2ccccc2)n1C 24928163 MLBKJRANAALGRL-UHFFFAOYSA-N 446.473 3.964 0 40 IHAB CC(=O)O[C@H]1C[C@@H](C(C)=O)[C@@]2(C)CC[C@@]3(O)[C@H](CC[C@H]4C[C@H](OC(C)=O)CC[C@]43C)[C@H]12 25548072 BTJJGPCIDWESHX-YIHACDHPSA-N 434.573 3.823 0 40 IHAB CCNS(=O)(=O)c1cccc(C(=O)N2CCc3sccc3[C@@H]2c2ccccc2)c1 25898330 UCRFEGWXONIIFG-NRFANRHFSA-N 426.563 3.834 0 40 IHAB Cc1cc(N2CCN(CC(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)CC2)nc(C(C)C)n1 27545592 JCBLAXBSFHCNQX-FQEVSTJZSA-N 435.616 3.787 0 40 IHAB CN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc(I)cc1 28188483 WDVPYFKIZZSCID-UHFFFAOYSA-N 425.251 3.675 0 40 IHAB COc1ccc(OC[C@@H](O)CN(C(=O)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 28403785 CHOZKLUTVJBLLF-FQEVSTJZSA-N 437.492 3.799 0 40 IHAB O=C(CCc1nnc(-c2ccsc2)o1)Nc1ccc(I)cc1 30810222 VEAHTSMQWXJBJM-UHFFFAOYSA-N 425.251 3.974 0 40 IHAB O=C(NCc1ccccc1-c1ccc(CN2CCCC2)cc1)c1cnc2sccn2c1=O 32909951 XMVDJDYCOBZRPS-UHFFFAOYSA-N 444.560 3.949 0 40 IHAB CC1=C(C(N)=O)[C@@H](c2ccccc2)NC(SCC(=O)Nc2ccc(C)c(Cl)c2)=N1 35400854 GZNDPVDYCAHUIC-LJQANCHMSA-N 428.945 3.780 0 40 IHAB O=C1N[C@@H]2CS[C@H](CCCCC(=O)N3CCC(c4nc5ccccc5s4)CC3)[C@H]2N1 36390039 XMSNOZBJEWQKIQ-POAQFYNOSA-N 444.626 3.728 0 40 IHAB CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1cc(-c2cccs2)nn1-c1ccccc1 36390330 APYYYIBWUNKNQM-OAQYLSRUSA-N 442.544 3.914 0 40 IHAB O=C(Nc1ccccc1C(=O)N1CCOCC1)C1CCN(Cc2ccc(Cl)cc2)CC1 39751024 LXXLZJWCUURXBQ-UHFFFAOYSA-N 441.959 3.663 0 40 IHAB Cc1ccc(Nc2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccc(C)c(Cl)c2)CC(=O)N3)cc1 40400507 MGGYBIHEBHQEKA-HNNXBMFYSA-N 437.887 3.848 0 40 IHAB CCc1ccccc1NC(=O)CN1CCN(C(=O)/C=C/c2cc(C)n(C3CC3)c2C)CC1 57290203 OBUFVJZEQCCKRU-FMIVXFBMSA-N 434.584 3.798 0 40 IHAB Cc1ccc(NC(=O)Cn2c(=O)n(CCc3cccs3)c(=O)c3sccc32)cc1C 57494117 IDYZQCORLSGCMY-UHFFFAOYSA-N 439.562 3.784 0 40 IHAB COc1cc(NC(=O)NCCO[C@@H]2CCCC[C@H]2C)c(C(=O)N2CCCC2)cc1OC 58133685 FUPPTNZLPMUBKW-VQIMIIECSA-N 433.549 3.657 0 40 IHAB O=C(COC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)c1ccc(Br)cc1 59371558 YCKDNFFCYCSRNB-SFHVURJKSA-N 446.297 3.976 0 40 IHAB Cc1nc(S(=O)(=O)CC(=O)N[C@@H]2CCCc3ccccc32)n(C2CCCCC2)c1C 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CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1[C@@H](C)NC(=O)c1ccccc1C 107702340 HZMQNRRSXJBDAK-OAHLLOKOSA-N 441.532 3.967 0 40 IHAB CCOC(=O)c1ccc(C)c(NC(=O)[C@H](CC)N(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 219122444 HEOFNNRTTSONTI-NRFANRHFSA-N 446.569 3.972 0 40 IHAB CCOC(=O)c1ccc(NC(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)cc1 222527907 XFHROQQECIFQMX-UHFFFAOYSA-N 438.505 3.941 0 40 IHAB CNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccc(OC)c(OC)c1 223320275 CZBWFPLRALQDGS-VWLOTQADSA-N 432.520 3.762 0 40 IHAB CC[C@@H](NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCC2)c1)c1ccc(OC)c(C)c1 224343577 GYFIAHAIHLTVGY-HXUWFJFHSA-N 446.569 3.678 0 40 IHAB CCOc1ccc(CCCNS(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)cc1 225716395 XOKJPFKEBRUSGC-UHFFFAOYSA-N 434.583 3.954 0 40 IHAB S=C(NCc1cccnc1)Nc1nc(N2CCCCC2)cc(N2Cc3ccccc3C2)n1 225939861 KSHQFPTZZNLZQM-UHFFFAOYSA-N 445.596 3.869 0 40 IHAB O=S(=O)(c1ccc(Br)cc1)N1CC[C@H](Oc2cccc3cccnc23)C1 244933309 CLNUSJRPWIOYQV-INIZCTEOSA-N 433.327 3.839 0 40 IHAB Cc1ccc(CN(CC(=O)N[C@H](c2ccccc2)c2cccc(C)c2)S(C)(=O)=O)cc1 260843330 QKDMKHIRTHYHEU-RUZDIDTESA-N 436.577 3.971 0 40 IHAB O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl)Nc1cccc(F)c1 408594318 PUMXRDMMMVFEFO-UHFFFAOYSA-N 426.897 3.718 0 40 IHAB O=C(O)CC[C@@H](c1ccccc1)N1CCN(C(=O)c2ccccc2Br)CC1 408607304 KSOVMRQQIPBYLS-IBGZPJMESA-N 431.330 3.813 0 40 IHAB COc1cccc(NC(=O)COC(=O)CCCC(=O)Nc2cc(Cl)ccc2OC)c1 408643581 BVRBEGPBDADYAC-UHFFFAOYSA-N 434.876 3.648 0 40 IHAB CCn1c(CNC(=O)c2ccccc2C)nn(CC(=O)Nc2cc(F)ccc2C)c1=S 409163146 MLZKPAKDGMGPJR-UHFFFAOYSA-N 441.532 3.759 0 40 IHAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cccn2-c2ccc(C)c(C)c2)C1=O 409232225 PDTWSMMJHCUWIP-KGENOOAVSA-N 444.491 3.634 0 40 IHAB C[C@@H](CC(=O)N(Cc1ccc(O)cc1)Cc1ccco1)S(=O)(=O)c1ccc(F)cc1 502655719 ITYFMTYZFQNENE-INIZCTEOSA-N 431.485 3.906 0 40 IHAB CC1(C)CN(C(=O)c2ccc(C(=O)N3CC(C)(C)[C@@H]3[C@@H]3CCCO3)cc2)[C@H]1[C@@H]1CCCO1 580016483 MKLGTEKKTSGHED-CMOCDZPBSA-N 440.584 3.746 0 40 IHAB O=C1CCC[C@]2(CN(C(=O)c3cccc(Oc4ncccn4)c3)C[C@H]2c2ccc(F)cc2)N1 585261702 WKZXPTGNIHWAOQ-SQJMNOBHSA-N 446.482 3.687 0 40 IHAB CN(Cc1ccccc1)[C@H]1[C@H](NC(=O)OC(C)(C)C)CC[C@@H](Oc2ccccc2)[C@@H]1O 585262442 LKURCLOSZKWSOK-LUKWVAJMSA-N 426.557 3.983 0 40 IHAB CC(=O)N1CCCCCCCN(CCC(C)C)Cc2cc(C(=O)NCC(=O)O)ccc21 643577220 SAHXLROEXPZWHB-UHFFFAOYSA-N 431.577 3.666 0 40 IHAB COc1ccc(Cn2c(SCC(=O)Nc3c(C)n[nH]c3C)nc3ccccc3c2=O)cc1 653024606 LFKABDVYTDLJTQ-UHFFFAOYSA-N 449.536 3.524 0 40 IHAB CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2OC)cc(Cl)c1O 814122 ZQTUCQRSOJZRKX-GOSISDBHSA-N 431.876 3.720 0 40 IHAB Cc1cc(I)ccc1NC(=O)[C@@H](C)NC(=O)OCc1ccccc1 1060714 JUNSHDDNSHAINE-CYBMUJFWSA-N 438.265 3.853 0 40 IHAB Cc1ccc2c(c1)cc(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)c1nnnn12 1376916 AYVKNQQLWKESQM-UHFFFAOYSA-N 443.532 3.977 0 40 IHAB CCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)ccc12 2109625 HHJIRPBCFIQOJU-SXMMONRFSA-N 427.541 3.975 0 40 IHAB O=C(Nc1ccccc1N1CCOCC1)c1cccc(N2C(=O)c3ccccc3C2=O)c1 3370214 XADUMGCAAGEVTC-UHFFFAOYSA-N 427.460 3.576 0 40 IHAB Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccc(C(N)=O)cc3)c3ccccc3n2)o1 3451160 ZOMXQOXDYGPXMU-UHFFFAOYSA-N 429.432 3.698 0 40 IHAB COc1ccc([C@H](c2nnnn2Cc2ccc(F)cc2)N2CCC(C)CC2)cc1OC 4847698 DBTBBNITJDQELK-JOCHJYFZSA-N 425.508 3.699 0 40 IHAB COc1cc(/C=c2/sc3nc4ccccc4n3c2=O)ccc1OC(=O)c1cccs1 6458917 MGRXXQOFNZKEHB-XDHOZWIPSA-N 434.498 3.746 0 40 IHAB CCOc1ccc(N2C(=O)N(c3cccc(C(F)(F)F)c3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 8828068 ROLXUASDTQVFEP-MSOLQXFVSA-N 440.443 3.716 0 40 IHAB COc1ccc(CN2C(=O)[C@](O)([C@H](C)C(=O)c3ccccc3)c3ccccc32)cc1OC 8919039 RWASCRWLVRICNW-QUGAMOGWSA-N 431.488 3.957 0 40 IHAB O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N21 9111163 VXCLYNXHHVLCPH-QUMGSSFMSA-N 448.522 3.997 0 40 IHAB COc1ccc(S(=O)(=O)c2cn(C)c3cc(N4CCC[C@@H](C)C4)c(F)cc3c2=O)cc1 9119267 OFQDABCMUSDQJD-OAHLLOKOSA-N 444.528 3.755 0 40 IHAB O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2cc(Br)ccc21)c1ccccc1 9186394 XILNGZDAMSYISR-UHFFFAOYSA-N 435.277 3.798 0 40 IHAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)Nc2cccc(F)c2)cc1 9227682 QQSQJZGQPUYECT-UHFFFAOYSA-N 428.485 3.664 0 40 IHAB COc1ccc(-c2nc3c(c(=O)[nH]2)Cc2cc(Br)ccc2O3)c(OC)c1OC 9290397 ZEPMXIGKEAYCCU-UHFFFAOYSA-N 445.269 3.922 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cccc(C(F)(F)F)c2)cc1 9340210 YTOXOQFUAILESD-KRWDZBQOSA-N 428.432 3.506 0 40 IHAB Cc1ccc(-c2csc3ncn(CC(=O)NC(=O)N[C@@H]4CCCC[C@@H]4C)c(=O)c23)s1 9536797 LEHJJOZADQFPTE-SWLSCSKDSA-N 444.582 3.899 0 40 IHAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C/C(=O)OCC(=O)NCc1cccs1 9633914 QBVBPCSOHDKIRF-CMDGGOBGSA-N 433.892 3.908 0 40 IHAB O=C(COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)NC1CCCC1 9667895 BDHSISXSQWWVLH-UHFFFAOYSA-N 442.459 3.944 0 40 IHAB C[C@@H](Sc1nnc(Cc2ccccc2)n1-c1ccc(F)cc1)C(=O)NC[C@H]1CCCO1 9729727 ZQJAWOJGLFRUIQ-OXQOHEQNSA-N 440.544 3.773 0 40 IHAB CCCNS(=O)(=O)c1cc(C(=O)Nc2cc(C)ccc2OC)ccc1N1CCCC1 10009899 ORQIXUBFIXPQMH-UHFFFAOYSA-N 431.558 3.544 0 40 IHAB CCc1nnc2sc(-c3ccc(OC)c(NC(=O)COc4ccccc4F)c3)nn12 10010355 MCTNYQLMXHDIJA-UHFFFAOYSA-N 427.461 3.580 0 40 IHAB CCOc1ccc(CCNC(=O)COC(=O)c2nc(Cl)ccc2Cl)cc1OCC 10021622 HJMXAOIRQBGFOC-UHFFFAOYSA-N 441.311 3.702 0 40 IHAB Cc1ccc(CNC(=O)C(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccs2)cc1 10220729 VFQZEMQBDJSLKL-UHFFFAOYSA-N 433.533 3.904 0 40 IHAB CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N[C@H](c3ccccc3)C3CC3)CC2)c1 11214578 VXSSPCGSKUJHNR-HSZRJFAPSA-N 440.565 3.557 0 40 IHAB Cc1ncc(-c2ccncc2)c(C2CCN(C(=O)CCn3ncc4ccccc43)CC2)n1 12088669 UYJAVXMJXORAPO-UHFFFAOYSA-N 426.524 3.993 0 40 IHAB COc1cccc(O[C@@H](C)C(=O)N2CCC(c3nc4ccccc4cc3C(N)=O)CC2)c1 12219663 XNRZRBXPEUQOSN-INIZCTEOSA-N 433.508 3.516 0 40 IHAB COc1ccc(N(CC(F)(F)F)C(=O)CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1 12328390 MAQDCAGSYFSSGU-QGZVFWFLSA-N 449.473 3.941 0 40 IHAB COC(=O)C1CCN(C(=O)c2ccc(Oc3coc4cc(OC)ccc4c3=O)cc2)CC1 12409961 IENALIQYIHUMAV-UHFFFAOYSA-N 437.448 3.619 0 40 IHAB biogenic CCCOc1c(Br)cc([C@@H]2NC(N)=Nc3nc4ccccc4n32)cc1OC 12535125 NZQKYAZZGIWKRX-QGZVFWFLSA-N 430.306 3.693 0 40 IHAB COc1ccccc1-c1cc([C@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)c2cccs2)n(C)n1 12601958 YOJJSKKCYOIGRT-SCTDSRPQSA-N 436.581 3.765 0 40 IHAB biogenic,in-vitro CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C1CCCCCC1 12744496 UBYKNQFHIBHZDE-UHFFFAOYSA-N 436.603 3.583 0 40 IHAB CC(C)CCNC(=O)[C@H](CC(C)C)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 12877768 VLSDHSZPADZWSO-CPJSRVTESA-N 438.572 3.780 0 40 IHAB biogenic CN(Cc1cccc(Cl)c1Cl)C(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 13010488 IEXOAPKENWNUCD-UHFFFAOYSA-N 427.353 3.978 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(F)c(F)c(F)c1F 13013034 OKQKYZWYQINHBO-UHFFFAOYSA-N 446.422 3.679 0 40 IHAB CC(C)CCN(CCC(C)C)C(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O 13063448 KKTKGOGRNOTSON-VWLOTQADSA-N 427.589 3.863 0 40 IHAB Cc1cc(C)cc(N(CC(=O)NCCC(C)C)C(=O)CCC(=O)Nc2nccs2)c1 13501920 BHBIVZCJZXPWKC-UHFFFAOYSA-N 430.574 3.674 0 40 IHAB O=C1NC2(CCN(C(=O)C3(c4ccccc4)CC3)CC2)Nc2ccc(Br)cc21 13566783 BTKFNSVGHMKYMF-UHFFFAOYSA-N 440.341 3.655 0 40 IHAB CC[C@H](C(=O)NCCSCc1ccco1)N(c1cccc(Cl)c1)S(C)(=O)=O 13712388 ANDZGTAVMPDRQH-QGZVFWFLSA-N 430.979 3.527 0 40 IHAB O=C(C[C@@H]1N=C(N2CCc3ccccc3C2)NC1=O)Nc1ccc(Oc2ccccc2)cc1 13721060 RBWZJIMRIKDJSK-QHCPKHFHSA-N 440.503 3.720 0 40 IHAB COc1ccc(-c2nn(CN(C)Cc3ccc4c(c3)OCCO4)c(=S)o2)c(OC)c1 14201241 KXDCBTRMAZQFJM-UHFFFAOYSA-N 429.498 3.750 0 40 IHAB COc1ccccc1CN(Cc1cccs1)C(=O)c1ccc(S(=O)(=O)N(C)C)cc1 16015082 QUVTXOJJOAFUNM-UHFFFAOYSA-N 444.578 3.850 0 40 IHAB O=c1c2ccccc2nc(CSC2=N[C@@H]3C=Cc4nsnc4[C@H]3N2)n1-c1ccccc1 16523711 BUXPXDMKAZUHKZ-APWZRJJASA-N 444.545 3.566 0 40 IHAB Cc1cc(C(=O)CSc2nccn2Cc2ccccc2)c(C)n1[C@@H]1CCS(=O)(=O)C1 16677915 PWPZJGDXPKQFHM-LJQANCHMSA-N 443.594 3.684 0 40 IHAB O=c1[nH]nc(SCc2nc(-c3ccccc3Cl)no2)n2nc(-c3ccco3)cc12 16844176 RXWRHWMIWZDJBR-UHFFFAOYSA-N 426.845 3.673 0 40 IHAB CN(C)C(=O)[C@H](OC(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccccc1 17481235 VPUDWZBAYCHJMV-XMMPIXPASA-N 440.503 3.980 0 40 IHAB Cc1ccc(OCCNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)cc1 18074984 LWLCUDONQYSELY-UHFFFAOYSA-N 436.961 3.632 0 40 IHAB Cc1ncc(-c2ccccn2)c(-c2ccc(CNC(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)cc2)n1 19287061 NMYZNCLTRKRKLM-HXUWFJFHSA-N 443.551 3.777 0 40 IHAB O=C([C@@H]1CCCN1)N1CCC[C@H](c2cc(Nc3cccc(F)c3)nc(-c3cccnc3)n2)C1 19294184 ZGFIORGJQHUDQC-RXVVDRJESA-N 446.530 3.879 0 40 IHAB O=C(NCc1cccs1)c1cc(C2CCN(C(=O)Cc3cc(F)ccc3F)CC2)no1 19343733 QOXBPNCJUIQYGG-UHFFFAOYSA-N 445.491 3.893 0 40 IHAB O=C(Nc1ccc2c(c1)OCCO2)c1cc([C@H]2CCCN(C(=O)C3CCCCC3)C2)no1 19346208 SGXDWRCUXOWZKA-KRWDZBQOSA-N 439.512 3.984 0 40 IHAB O=C(Nc1ccc2c(c1)OCCO2)c1cc(C2CCN(C(=O)C3CCCC3)CC2)no1 19346220 YOWIIVBEUBHNKA-UHFFFAOYSA-N 425.485 3.594 0 40 IHAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCO[C@@H](c2nc(-c3ccccc3)no2)C1 19374384 XWOVNYVUZXBDRY-MRXNPFEDSA-N 439.415 3.518 0 40 IHAB C[C@H](C(=O)N1CCC[C@H]2CN(C(=O)CCN3CCc4ccccc43)C[C@H]21)c1ccccc1 19459316 INAPWAIKYRQTGM-GRYUFTJMSA-N 431.580 3.692 0 40 IHAB CCCn1ncc(CN2CCC(C[C@@H]3CC(c4cccc(F)c4)=NO3)(C(=O)O)CC2)c1C 19525934 ZEQRMRVMAPVKNW-NRFANRHFSA-N 442.535 3.991 0 40 IHAB COc1ccccc1CC(=O)N1CCC[C@H](c2nc3sc4c(c3c(=O)[nH]2)CCCC4)C1 19569567 JCUQYXWJXUUBKO-INIZCTEOSA-N 437.565 3.821 0 40 IHAB CNC(=O)C1(Cc2ccccc2-c2ccncc2)CCN(C(=O)c2cccc(OC)c2)CC1 19700197 IXRQVDKUHFSUGP-UHFFFAOYSA-N 443.547 3.968 0 40 IHAB CCOc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2)cc1 19868162 LCRDGLXGOFQIMS-UHFFFAOYSA-N 436.961 3.919 0 40 IHAB COc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)cc1 20450827 HTHCAKALCAFNPS-QGZVFWFLSA-N 446.569 3.760 0 40 IHAB CC(C)(C)NS(=O)(=O)c1cccc(NS(=O)(=O)c2cc(Cl)sc2Cl)c1 20629148 MFZHCYXAYPZICC-UHFFFAOYSA-N 443.399 3.933 0 40 IHAB COc1cc(NC(=O)Nc2ccccc2OCc2cc(=O)n3ccccc3n2)cc(OC)c1 21156623 WCESOUQMZJTOMC-UHFFFAOYSA-N 446.463 3.935 0 40 IHAB CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc(C)c2)cc1 22271311 FGETUMRCAWYBGG-HSZRJFAPSA-N 438.549 3.922 0 40 IHAB CSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 22514691 GWGAFNABNQDHMG-UHFFFAOYSA-N 428.539 3.868 0 40 IHAB O=C(CCc1nc2ccccc2[nH]1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 22605945 AFEJLHAHXNCUEB-UHFFFAOYSA-N 431.565 3.963 0 40 IHAB COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CNC(=O)Nc1ccccc1 22616313 WKAMBBCLXKASQE-UHFFFAOYSA-N 448.479 3.716 0 40 IHAB O=c1ccc(-c2ccccc2F)nn1Cc1nc(-c2ccc(Br)cc2)no1 23126823 ZFQJFYVZYJSNBT-UHFFFAOYSA-N 427.233 3.910 0 40 IHAB O=C(CN1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1)Nc1ccccc1 23495000 ABFYJLNBGVUGFU-UHFFFAOYSA-N 427.548 3.992 0 40 IHAB COc1ccc([C@H](CNC(=O)CSc2nnc(NC3CC3)s2)N2CCCCC2)cc1 24890002 AZEPZOSBIVBNCE-SFHVURJKSA-N 447.630 3.557 0 40 IHAB Cc1cc(CN2CCN([C@H](C)c3nc4scc(-c5cccs5)c4c(=O)[nH]3)CC2)no1 24993181 VBVOPJIGINRAMK-CQSZACIVSA-N 441.582 3.888 0 40 IHAB Cc1ccc(NC(=O)CS[C@@H](C)C(=O)O[C@@H](C)C(=O)N(C)Cc2ccccc2)cc1 32738655 VAPJPRWWWREPBS-ROUUACIJSA-N 428.554 3.646 0 40 IHAB C[C@H](OC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)c1nc(-c2cccnc2)no1 32901669 JEFHCAJZXTWUHG-ZUZCIYMTSA-N 430.873 3.892 0 40 IHAB CCOC(=O)c1c(CC(C)C)csc1NC(=O)CN1CCN(c2ccc(O)cc2)CC1 34878927 SERADWODXPAMHI-UHFFFAOYSA-N 445.585 3.590 0 40 IHAB Cc1ccc(/C=C\S(=O)(=O)N2CCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)cc1 36701792 HRJRUOBDEQLVAW-ATVHPVEESA-N 438.528 3.714 0 40 IHAB COC(=O)c1ccc(CSc2cc(N3CCN(c4ccccc4F)CC3)ncn2)o1 36708509 AAEHETKIHDQEHT-UHFFFAOYSA-N 428.489 3.614 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3nc4ccccc4s3)CC2)cc1C 36835693 JVHCIXRMVNFRHR-UHFFFAOYSA-N 443.594 3.630 0 40 IHAB CCc1ccc(NC(=O)Cn2nc3c4cc(-c5ccc(C)c(C)c5)nn4ccn3c2=O)cc1 38487206 DUTHZFKHCAOWCL-UHFFFAOYSA-N 440.507 3.629 0 40 IHAB Cc1ccc(-n2nnc(C(=O)N3CCN(Cc4ccccc4)CC3)c2-c2cccnc2)cc1 38487493 HFTWDBSKDVVEQD-UHFFFAOYSA-N 438.535 3.596 0 40 IHAB NC(=O)Nc1ccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1 39182397 HFPDOFBZCSQAEJ-QFIPXVFZSA-N 445.475 3.712 0 40 IHAB CCOC(=O)Cc1csc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)n1 39975556 DYKUVFRWZDZBKS-UHFFFAOYSA-N 433.493 3.749 0 40 IHAB CC(C)(C)C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(F)cc3)cc2)CC1 40717643 SBAOCNKRBMGGLF-UHFFFAOYSA-N 442.560 3.647 0 40 IHAB CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1ccnc(OCC(F)(F)F)c1 58218329 RBXHXPSVXAVVTP-BEFAXECRSA-N 449.473 3.639 0 40 IHAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)Nc3cccnc3)Oc3ccc(Cl)cc32)cc1 64986165 CZFHPVOLUMNUIV-FQEVSTJZSA-N 443.912 3.638 0 40 IHAB Cc1c(C(=O)Nc2ccc(F)cc2F)nnn1CC(=O)Nc1ccccc1C(F)(F)F 67323444 SPYAFNQNXBWDBI-UHFFFAOYSA-N 439.344 3.775 0 40 IHAB Cc1ccc(CNC(=O)c2nc(-c3cn(Cc4csc(C)n4)cn3)n3ccccc23)o1 96155054 LGHCPCYTVZAXAO-UHFFFAOYSA-N 432.509 3.842 0 40 IHAB C[C@]1(c2cccc3ccccc23)NC(=O)N(Cc2ccc(S(=O)(=O)C(F)F)cc2)C1=O 96989933 BGXKNVFUXXEMAY-JOCHJYFZSA-N 444.459 3.803 0 40 IHAB O=C(COC(=O)CCC(=O)NC1CCCCC1)Nc1ccc(Br)c(Cl)c1 138987541 VTXDZKBCVUNZGM-UHFFFAOYSA-N 445.741 3.813 0 40 IHAB CC[C@@H](C(=O)N1CCC(Cc2ccccc2)CC1)N(c1cccc(OC)c1)S(C)(=O)=O 220618208 RMBVRBMYUPQUHP-QHCPKHFHSA-N 444.597 3.721 0 40 IHAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1cccc(N2CCCCS2(=O)=O)c1 222562330 GNRCABKAFKRURH-FQEVSTJZSA-N 444.553 3.657 0 40 IHAB COc1ccc(CCNC(=O)c2cn3c4c(cc(Br)cc4c2=O)C[C@H]3C)cc1 223103650 PZPUMFWDNFXEDH-CYBMUJFWSA-N 441.325 3.862 0 40 IHAB COc1ccc(CNS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)c2ccccc2)cc1 223266915 ZPTDUSIQGYMVEO-KRWDZBQOSA-N 436.533 3.765 0 40 IHAB Cc1ccc(N([C@@H](C)C(=O)NCCOc2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1C 223892426 MMYOMUAENDUDMS-IBGZPJMESA-N 446.613 3.951 0 40 IHAB CN(c1ccc(F)cc1)S(=O)(=O)c1cccc(C(=O)NCCCOC2CCCC2)c1 224178048 XEXBWFXBYCZHBW-UHFFFAOYSA-N 434.533 3.730 0 40 IHAB CC[C@@H](C(=O)NCCOc1ccc(C)cc1C)N(c1cccc(Cl)c1)S(C)(=O)=O 224301989 AZQMTHGCYMVYQP-IBGZPJMESA-N 438.977 3.697 0 40 IHAB Cc1ccc(OCCNC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)cc1C 224631288 KGUXENVZGFQJCE-UHFFFAOYSA-N 438.977 3.698 0 40 IHAB CSc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC(C)C)cc1NC(=O)C(C)C 224875827 VMLJMTCALXFBLS-UHFFFAOYSA-N 449.598 3.942 0 40 IHAB CCn1c(=O)sc2cc(S(=O)(=O)N[C@@H]3CC(C)(C)Oc4ccc(C)cc43)ccc21 225697340 GLYITBYWUFSILC-MRXNPFEDSA-N 432.567 3.972 0 40 IHAB CC(C)CNC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C(C)C 225707529 LEBZKVMDQWDTJH-UHFFFAOYSA-N 447.582 3.831 0 40 IHAB CC(C)(NS(=O)(=O)Cc1ccccc1F)C(=O)Nc1ccc(OC(F)(F)F)cc1 225922578 VDQXAGYTIUVSMG-UHFFFAOYSA-N 434.411 3.561 0 40 IHAB CCc1cc(C(=O)N2CC[C@H](Oc3ccc(F)cc3)[C@@H](CC(=O)N3CCCCC3)C2)on1 257313937 UUSVCIPOFANUOX-UWJYYQICSA-N 443.519 3.688 0 40 IHAB Cc1ocnc1C(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N(C)Cc2ccccc2)C1 257340173 ZEXAGQLIVHSMBX-GMAHTHKFSA-N 447.535 3.941 0 40 IHAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)N3c4ccccc4C[C@H]3C)C2)c(C)c1 260736991 JNRMHUSGYJCYDF-TZIWHRDSSA-N 426.582 3.990 0 40 IHAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1Cl 408551416 HTYWLKCFXJSDAY-SECBINFHSA-N 437.732 3.961 0 40 IHAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 408592187 KLDOTKGMYOAEMP-SNVBAGLBSA-N 436.839 3.673 0 40 IHAB O=C(NCc1ccccc1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 408614380 BOSJCBUQQWZPQX-OAQYLSRUSA-N 427.504 3.604 0 40 IHAB Cc1cc(Br)ccc1NC(=O)CCC(=O)OCC(=O)Nc1ccc(F)cc1 408644017 DEYQBYSNPNZPDJ-UHFFFAOYSA-N 437.265 3.797 0 40 IHAB CCC[C@@H]1N=c2s/c(=C\c3ccc(Cl)cc3Cl)c(=O)n2C(C)=C1C(=O)OCC 408731622 MKJNNYHZTKLTBL-HVVQPJKBSA-N 439.364 3.641 0 40 IHAB CCc1ccc(NC(=O)CSc2nnc([C@@H](C)NC(=O)c3ccc(C)cc3)n2C)cc1 409126849 HXXGLSXTVIGYPZ-MRXNPFEDSA-N 437.569 3.908 0 40 IHAB Cc1cccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)c1C 409140961 FXVIBKTZOIXXAB-HNNXBMFYSA-N 434.414 3.857 0 40 IHAB CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc(Cl)c1OCC(=O)O 409252539 SNCPAHGTKABUMP-RQZCQDPDSA-N 444.871 3.603 0 40 IHAB COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)N(Cc2ccc(O)cc2)Cc2ccco2)cc1 502554570 RGJIYULETUBIJI-QGZVFWFLSA-N 443.521 3.633 0 40 IHAB NC(=O)c1cn(CC(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)c2ccccc12 542159251 ADCDXAJHJYWNRS-UHFFFAOYSA-N 427.386 3.583 0 40 IHAB C=CC(=O)Nc1ccc(O)c(C(=O)N[C@@H]2CSCc3ccc(Br)cc32)c1 1146362097 GIGLPPAWEWXGNQ-MRXNPFEDSA-N 433.327 3.997 0 40 IHAB CNC(=O)c1cnc(Nc2cccc(C3CCN(C(=O)C4CCCCC4)CC3)n2)s1 2037836030 LMYBQHRLNDLXID-UHFFFAOYSA-N 427.574 3.928 0 40 IHAB CCOC(=O)c1cnc(SCC(=O)N(Cc2ccccc2)c2ccc(F)cc2)nc1N 929290 DDIMJCKQEMALBZ-UHFFFAOYSA-N 440.500 3.700 0 40 IHAB Cc1ccc(C(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C(=O)OC(C)C)cc3)C2)cc1C 993297 CJTGYNCQZKCFCM-HXUWFJFHSA-N 437.492 3.648 0 40 IHAB CCOC(=O)C(C(=O)OCC)=c1ccc2c(c1)N1C3=C(CCCC3)C[C@@H]3CCCC[C@@]31N=2 2105682 KWADPUSLUQDVEO-SIBVEZHUSA-N 436.552 3.521 0 40 IHAB biogenic O=C(CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3)Nc1nc2c(s1)CCCC2 2614047 VMSLFKDTMCTTTR-UHFFFAOYSA-N 432.596 3.930 0 40 IHAB C[C@@H](Sc1ncc(S(=O)(=O)c2ccc(Cl)cc2)c(O)n1)C(=O)Nc1ccccc1 2698660 SVOATBRVTAQRJN-GFCCVEGCSA-N 449.941 3.788 0 40 IHAB COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)COc2cccc(C)c2)cc1 3340751 YYVLJPORPQUHQQ-UHFFFAOYSA-N 426.494 3.822 0 40 IHAB CCOc1ccc([C@@H]2[C@H](C(=O)OC(C)(C)C)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OC(C)(C)C)cc1 4112439 WBBRMPQIPUIEHF-MVOHMCPASA-N 448.556 3.809 0 40 IHAB O=C(Nc1ccc2nc(SCC(=O)N3CCOCC3)sc2c1)c1ccc(F)cc1 8673783 LLIVKIOAAJAUCX-UHFFFAOYSA-N 431.514 3.639 0 40 IHAB COc1ccccc1N1CCN(S(=O)(=O)c2ccc3c4c(cccc24)C(=O)S3)CC1 8860160 LLZYRJGMPSDIBI-UHFFFAOYSA-N 440.546 3.605 0 40 IHAB CC(=O)c1cc2c(cc1NC(=O)CSc1nnc(C3CC3)n1-c1ccccc1)OCO2 8860807 GHDXBRFKOUJPKS-UHFFFAOYSA-N 436.493 3.807 0 40 IHAB C[C@@H](OC(=O)c1ccccc1S[C@H](C)C(=O)NC1CCCC1)C(=O)NC1CCCC1 9057965 IFGQCFANNATYMW-HZPDHXFCSA-N 432.586 3.830 0 40 IHAB CCCCn1c(=O)c(CCC(=O)OCC(=O)Nc2ccc3c(c2)CCC3)nc2ccccc21 9128323 SHBORNSCEHJNFQ-UHFFFAOYSA-N 447.535 3.800 0 40 IHAB Cc1csc(NC(=O)CSc2nnc(COc3ccc4c(c3)CCCC4)n2C)n1 9261501 XLYFYIMUVPSRMD-UHFFFAOYSA-N 429.571 3.769 0 40 IHAB COC(=O)c1ccc2c(=O)n(-c3ccccc3)c(SCC(=O)OC(C)(C)C)nc2c1 9284379 DTPFKXKKDINUAS-UHFFFAOYSA-N 426.494 3.606 0 40 IHAB COc1cc(C)ccc1OCc1nnc(S[C@@H](C)C(=O)Nc2nc(C)cs2)n1C 9329039 ZTHSHFICDAXWTQ-ZDUSSCGKSA-N 433.559 3.595 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(Br)cc2C)cc1 9337752 YUEZYJDNPIXMOC-SFHVURJKSA-N 437.359 3.858 0 40 IHAB Cc1ccc(CN(C(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)[C@H]2CCS(=O)(=O)C2)o1 9431338 DFCVOSRMQKVGRJ-CVEARBPZSA-N 425.934 3.533 0 40 IHAB O=C(/C=C/c1ccco1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(F)(F)F 9460906 OUDCVQODVSNQOR-VMPITWQZSA-N 444.431 3.657 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N1CC[C@@H]2CCCC[C@@H]2C1 9532742 AINGYXCXHNPNST-RBUKOAKNSA-N 434.602 3.912 0 40 IHAB Cc1ccc(NC(=O)COC(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)cc1 9545226 MNUUGTQEPDSDSI-UHFFFAOYSA-N 438.933 3.521 0 40 IHAB Cc1nc2cc(C(=O)OCC(=O)Nc3ccc4c(c3)OCO4)ccc2n1-c1ccccc1 9562030 JZRFQZRBLXCJNR-UHFFFAOYSA-N 429.432 3.858 0 40 IHAB CCOc1ccc(N2C(=O)/C(=C\NNc3nc(C)cc(C)n3)c3ccccc3C2=O)cc1 9580150 QAIKSQAZKOHCBE-STZFKDTASA-N 429.480 3.637 0 40 IHAB O=C(CSc1nc(O)c2cnn(-c3cccc(Cl)c3)c2n1)NCc1ccc(F)cc1 9590912 CRUUCNUQOTWRBX-UHFFFAOYSA-N 443.891 3.722 0 40 IHAB COc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2-n2cccc2)cc1OC 9707847 UODOINXVRWAJCG-UHFFFAOYSA-N 441.538 3.868 0 40 IHAB CC(C)[C@@H](NC(=O)Cn1cnc2ccc(Cl)cc2c1=O)c1ccc2c(c1)OCCCO2 9781404 CIQWSDCLZXMXBN-JOCHJYFZSA-N 441.915 3.725 0 40 IHAB COC[C@H](C)NC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)S(C)(=O)=O)cc1 10369442 VZHMZXBTRFCQMJ-ZDUSSCGKSA-N 445.368 3.724 0 40 IHAB CC[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 11866948 MICDTNYKBXNWCV-DRKZVIBPSA-N 439.552 3.983 0 40 IHAB biogenic O=C(OCc1csc(Nc2ccccc2)n1)c1sccc1S(=O)(=O)NC1CC1 12526525 ORJWEGPFFMJCCU-UHFFFAOYSA-N 435.552 3.746 0 40 IHAB COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)NCCn1c(C)nc2ccccc21 12535400 AUYBGAULDOYPQY-UHFFFAOYSA-N 443.429 3.988 0 40 IHAB Cc1nn2c(nc(N3CCN(Cc4cn5ccccc5n4)CC3)c3ccccc32)c1Cl 12559036 PODLKXYMORWOHZ-UHFFFAOYSA-N 431.931 3.814 0 40 IHAB COc1ccc(N2C[C@H](C(=O)Nc3nc4ccc(Cl)cc4s3)CC2=O)c(OC)c1 12820838 YCPGBLNRLGVYOM-LLVKDONJSA-N 431.901 3.959 0 40 IHAB COc1ccc(CCNC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1OC 12886840 TYQDJSBNPWDSCF-UHFFFAOYSA-N 437.462 3.693 0 40 IHAB COc1ccc(-n2nnnc2SCC(=O)N(c2ccccc2)c2nc(C)cs2)cc1 12907434 JUXJDHYUXFWTDV-UHFFFAOYSA-N 438.538 3.893 0 40 IHAB C[C@@H](NC(=O)Cc1cccc2ccccc12)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 12911142 XAYKHHHBHUPCBM-YVWYTEFXSA-N 441.575 3.745 0 40 IHAB CSc1nc2nc(C)c(CCC(=O)NCCc3ccc(C(F)(F)F)cc3)c(C)n2n1 12979298 NXIFKMOLKABVPG-UHFFFAOYSA-N 437.491 3.773 0 40 IHAB COc1ccccc1-c1nc(CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cs1 13040145 IMJYJJCABNEOJB-UHFFFAOYSA-N 443.594 3.634 0 40 IHAB O=C(CCCOc1cccc(F)c1)N1CCC(c2nc(O)cc(-c3ccccn3)n2)CC1 13267946 NEFDLXOBARNTLI-UHFFFAOYSA-N 436.487 3.949 0 40 IHAB Cc1ccnc(NC(=O)CCC(=O)N(CC(=O)NCc2ccccc2)c2ccc(F)cc2)c1 13503679 LOHVQXUNKJEDKV-UHFFFAOYSA-N 448.498 3.597 0 40 IHAB O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2sccc21)Nc1cccc2ccccc12 13533115 WTTSYXOVMVXRRK-UHFFFAOYSA-N 431.473 3.658 0 40 IHAB COc1ccc([C@@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccccc2)n3C)cc1OC 13567467 SHABPUSVTVJILU-INIZCTEOSA-N 437.521 3.564 0 40 IHAB CCOc1cccc(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCCC3)c2)c1 13674782 HACYHPDHDZAUSS-UHFFFAOYSA-N 432.542 3.911 0 40 IHAB Cc1csc(NC(=O)C2CCC(CNS(=O)(=O)c3ccc(Cl)cc3)CC2)n1 13725125 BTYPBXFJPWPCCE-UHFFFAOYSA-N 427.979 3.828 0 40 IHAB O=C(Cc1ccc(-c2ccccc2)cc1)NCCNC(=O)c1ccc(NC(=O)C2CC2)cc1 13854835 MHEXYJWJKWZBDC-UHFFFAOYSA-N 441.531 3.791 0 40 IHAB COC(=O)c1ccc(Cl)c(NC(=O)CSc2nnc(COc3ccccc3)o2)c1 14152621 CAGSYJCKRIGNQP-UHFFFAOYSA-N 433.873 3.819 0 40 IHAB O=C(Nc1cccc(Cl)c1Cl)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 15010958 SGBLHMGCWXVZIK-UHFFFAOYSA-N 449.743 3.920 0 40 IHAB CCCCC(=O)Nc1ccccc1C(=O)OCc1cc(=O)n2nc(C3CC3)sc2n1 15772025 LLXAQYRNCLFISV-UHFFFAOYSA-N 426.498 3.514 0 40 IHAB COc1ccc(CCN(C)C(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)cc1OC 15846520 UORDJLYIYPYGBL-UHFFFAOYSA-N 448.519 3.927 0 40 IHAB O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1cc(Cl)cc(Cl)c1 16428955 SVELHGUWLXLHEW-UHFFFAOYSA-N 429.325 3.795 0 40 IHAB COc1ccc(CN(C(=O)COC(=O)c2cc(C)n(-c3cc(C)on3)c2C)C2CC2)cc1 16699172 VAVHALONUTWJCC-UHFFFAOYSA-N 437.496 3.747 0 40 IHAB CN(C)c1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2N)cc1 16755756 JHVBLIAUJVDTBH-UHFFFAOYSA-N 437.356 3.763 0 40 IHAB COc1ccccc1-c1nn(CC(=O)Nc2ccc3c(c2)OCO3)c(=S)n1-n1cccc1 16807175 JGUPJWWXGVXPMI-UHFFFAOYSA-N 449.492 3.570 0 40 IHAB CC(C)Oc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1 17097649 UIADOPFCDKOCKO-GFCCVEGCSA-N 431.583 3.886 0 40 IHAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O 17162247 SVCYQULFGCRADS-ZFWWWQNUSA-N 440.521 3.615 0 40 IHAB CCOC(=O)c1sc(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)nc1-c1ccccc1 17297447 BEQCEVYLHSPHDW-UHFFFAOYSA-N 449.488 3.893 0 40 IHAB CC(C)NC(=O)[C@]1(Cc2ccccc2-c2ccc(F)cc2)CN(C(=O)C(C)C)CCO1 19085855 UNLYDQQFEBJCTE-VWLOTQADSA-N 426.532 3.813 0 40 IHAB COc1cccc(C(=O)N2CCCC[C@H]3CN(Cc4nc(C)n5ccccc45)C[C@H]32)c1OC 19240721 BZLDXHUVYSQYQG-WMZHIEFXSA-N 448.567 3.787 0 40 IHAB CCN1CCN(C(=O)c2snnc2C)C[C@@H](Cc2cccc(-c3ccccc3)c2)C1=O 19527502 DTKVLEFTFMEEJO-OAQYLSRUSA-N 434.565 3.677 0 40 IHAB CCNC(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)[C@H](C)n2ccnc2)C1 19528781 NNUAPUPGLBJBQZ-UUOWRZLLSA-N 436.581 3.770 0 40 IHAB CCNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)Cc2ccccn2)C1 19528912 CTLNQUUZILVLGZ-RUZDIDTESA-N 433.577 3.950 0 40 IHAB CC(=O)N1CCc2nc([C@@H]3CCCN(C)C3)nc(NCc3ccccc3OC(C)C)c2C1 19711367 GQQYLPWVLZEJIE-HXUWFJFHSA-N 437.588 3.590 0 40 IHAB C[C@@H](NC(=O)CCc1ccc(S(=O)(=O)N(C)C)cc1)c1cccc(Br)c1 20024421 RLJANAITRNOUJJ-CQSZACIVSA-N 439.375 3.509 0 40 IHAB O=C(CN1C(=O)[C@@]2(SCC(=O)N2c2cccc(F)c2)c2ccccc21)Nc1ccccc1 20574007 YEHCILHLBJLGAX-DEOSSOPVSA-N 447.491 3.744 0 40 IHAB Fc1ccc(OCc2nc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)cs2)cc1 22798751 HCLOVYUHOAGOSL-UHFFFAOYSA-N 441.528 3.908 0 40 IHAB Cc1cccc(C)c1NC(=O)CN1CCN(Cc2nc(-c3ccccc3Cl)no2)CC1 22913660 NRFMFYLJPNRLHM-UHFFFAOYSA-N 439.947 3.763 0 40 IHAB CC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2ccccc2CN2CCOCC2)cc1 22956616 IDGLPIHCJLJZBS-UHFFFAOYSA-N 425.529 3.796 0 40 IHAB C[C@@]1(c2ccco2)NC(=O)N(CC(=O)N2c3ccccc3SC[C@H]2c2ccccc2)C1=O 23043392 HIGPDGQVASAZHU-UUOWRZLLSA-N 447.516 3.927 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCc1nnsc1Cl)n2CC 24078242 QAYPPRSXWGMSBE-UHFFFAOYSA-N 446.023 3.884 0 40 IHAB COc1cccc(-c2nnc(S[C@H](C)c3nc(N)nc(N(C)C)n3)n2-c2ccccc2)c1 24985788 BLAICWJVNYOOTL-CQSZACIVSA-N 448.556 3.629 0 40 IHAB Cc1nccn1Cc1ccc(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)cc1 30942190 FREOORJINSESIY-UHFFFAOYSA-N 425.492 3.817 0 40 IHAB Cc1cc(Cl)c(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)NCc2ccco2)c1Cl 31560294 MSDYXIUWLOMWCJ-OAHLLOKOSA-N 431.341 3.673 0 40 IHAB O=C(OCc1nnc(-c2ccc(Br)s2)o1)c1cccnc1N1CCCC1 36735159 NCJCSQRHPNMIEF-UHFFFAOYSA-N 435.303 3.913 0 40 IHAB COc1ccc(NC(=O)CN2CCC(c3nc(-c4cccc(F)c4)no3)CC2)c(OC)c1 49403334 PBSDTRKARHWXRX-UHFFFAOYSA-N 440.475 3.711 0 40 IHAB O=C(c1ccc2c(=O)n3c(nc2c1)SCCC3)N1CCN(c2cccc(Cl)c2)CC1 49403699 LSBHYHLGKPEDMZ-UHFFFAOYSA-N 440.956 3.508 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1C(=O)O 53994371 DVHLBUCDHCXJRC-UHFFFAOYSA-N 432.523 3.571 0 40 IHAB COc1ccccc1NC(=O)Cn1cccc1-c1nc(-c2ccc(OC)c(OC)c2)no1 57487137 ZGZXGMQWVYIJKY-UHFFFAOYSA-N 434.452 3.870 0 40 IHAB CCn1c(C)cc(C(=O)CN2C(=O)N[C@](C)(c3ccc(Br)s3)C2=O)c1C 58305083 WRIVFWCODBDJLQ-GOSISDBHSA-N 438.347 3.599 0 40 IHAB CCSc1nnc(NC(=O)[C@@H]2CCCN(Cc3nc(-c4cccs4)no3)C2)s1 62022940 MCWMSLRDLQMGCH-LLVKDONJSA-N 436.588 3.612 0 40 IHAB COc1cc(/C=C/C(=O)N[C@@H](C)C(=O)O)cc(Br)c1OCc1ccccc1 62715004 KYZIJASZQIWBJR-XEHSLEBBSA-N 434.286 3.639 0 40 IHAB Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)NCCCc3ccccc3)c2=O)c1C 67218455 ARRQRADOFVMYSZ-UHFFFAOYSA-N 447.560 3.580 0 40 IHAB CCN(CC)[C@H](C(=O)NCc1ccc(-n2cccn2)nc1)c1cccc(C(F)(F)F)c1 72283606 WTSLDTUVRNRSLD-FQEVSTJZSA-N 431.462 3.985 0 40 IHAB Fc1cc2ncc(N3CCN(CCCc4nc(-c5cccs5)no4)CC3)nc2cc1F 78823859 SPEUEQBGGLOZIK-UHFFFAOYSA-N 442.495 3.774 0 40 IHAB Cc1nc(COc2cccc(C(=O)N3C[C@@H](C(=O)N(C)C)Oc4ccccc43)c2)cs1 89712506 IFNPKUFZFCZBIT-NRFANRHFSA-N 437.521 3.527 0 40 IHAB COC(=O)c1nc(NC(=O)c2cc(-c3ccc(OC)c(OC)c3)n[nH]2)sc1CC(C)C 95479799 HJIQNCAFXWMTGR-UHFFFAOYSA-N 444.513 3.788 0 40 IHAB O=C(N[C@H](CO)c1ccc(Cl)c(F)c1)c1ccc(CNC(=O)c2cccs2)cc1 95992804 IAEYHOCYAHNEJZ-GOSISDBHSA-N 432.904 3.934 0 40 IHAB O=C(CN1C(=O)S/C(=C\c2c[nH]c3ccc(Br)cc23)C1=O)N1CCCCC1 106756803 DIZUXBYFSLNNQB-PXNMLYILSA-N 448.342 3.979 0 40 IHAB CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(Br)c(C)c1 223092204 TXOLGEPVYIOJRW-HXUWFJFHSA-N 447.373 3.998 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CC(=O)Nc4ccccc43)cc2C)cc1 224212347 FJUYBHSPOAFEKE-UHFFFAOYSA-N 449.532 3.727 0 40 IHAB CCOC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1cc(Cl)ccc1Cl 224938547 LJWYAGAPWMWPKL-UHFFFAOYSA-N 446.308 3.523 0 40 IHAB CC[C@H](NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1ccc(OC)c(C)c1 225056133 GEZIIJNOZDQICE-SFHVURJKSA-N 436.599 3.733 0 40 IHAB CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(SC)c(NC(=O)C(C)C)c1 225193932 CLVBXAWHIPKCRS-UHFFFAOYSA-N 436.555 3.981 0 40 IHAB Cc1ccccc1-n1c(CC2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)n[nH]c1=O 225548390 WJUMYCDBFQORFT-UHFFFAOYSA-N 444.457 3.983 0 40 IHAB Cc1n[nH]c(SCCNC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)n1 225907006 RRQYAXITOVFULX-AWEZNQCLSA-N 428.389 3.540 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)CCc3ccccc3)CC2)c1 225926833 RYIRCXIRGSNOEG-FQEVSTJZSA-N 428.598 3.842 0 40 IHAB CC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N(C)C(=O)c2ccc3ccccc3n2)CC1 257201631 AIJMAHMQGCFVEE-RGSZASNESA-N 445.563 3.684 0 40 IHAB Cc1cc(C(=O)N2CCOC[C@H](Cc3ccc4ncccc4c3)C2)nc(N2CCCCC2)n1 257221556 DPOKGDXLSRHAML-OAQYLSRUSA-N 445.567 3.655 0 40 IHAB Cc1cc(C)cc(N([C@H](C)C(=O)Nc2nnc(SCC(C)C)s2)S(C)(=O)=O)c1 260767381 NHAWCSKLISQFFH-CQSZACIVSA-N 442.632 3.696 0 40 IHAB C[C@@H](Oc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)C(=O)NC1CCCCC1 408592066 NNZBZZXKPHEQSK-QGZVFWFLSA-N 428.554 3.654 0 40 IHAB O=C(NCc1ccc(F)cc1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 408614728 GWUNTPSYOZGDNC-GOSISDBHSA-N 431.467 3.747 0 40 IHAB Cc1ccccc1CNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 408615416 QDACZEIDZOZUGT-FQEVSTJZSA-N 427.504 3.917 0 40 IHAB CCOc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)NC3CCCCC3)c2)cc1 408677826 RTCOXICJKCUAQQ-UHFFFAOYSA-N 432.542 3.957 0 40 IHAB CCOc1ccc(CNC(=O)C(=O)Nc2ccccc2C(=O)NCc2cccc(C)c2)cc1 408710372 ZNNLEBVANJKMHI-UHFFFAOYSA-N 445.519 3.579 0 40 IHAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)C1 408713526 FYSZROLBAWDIBF-GFCCVEGCSA-N 444.887 3.666 0 40 IHAB CCn1c(CNC(=O)Cc2ccccc2)nnc1SCC(=O)Nc1cc(C)ccc1C 409157740 NKCLZQWIJLGREE-UHFFFAOYSA-N 437.569 3.505 0 40 IHAB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)cc(OC)c1O 409353378 JXBXKCPPNFXBJZ-VCHYOVAHSA-N 442.493 3.701 0 40 IHAB COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)cc(Cl)c1OC 409363486 WFZPQNCSJODDJL-YBEGLDIGSA-N 438.933 3.652 0 40 IHAB CCCCNC(=O)c1cccc2c1CN(Cc1ccccc1)CC(=O)NCCCCCO2 643573127 MECFILRZCNZZOV-UHFFFAOYSA-N 437.584 3.898 0 40 IHAB CCOc1ccccc1S(=O)(=O)N1[C@H]2CC[C@H]1CC(n1cc(Br)cn1)C2 1775974093 BJPKXQJYVYLYRG-GJZGRUSLSA-N 440.363 3.601 0 40 IHAB CC(=O)N1CCC(Cc2ccc(F)cc2)(C(=O)N2CCC[C@@H](Cc3ccccn3)C2)CC1 2037800220 LIYQUDIUSNWHEZ-QFIPXVFZSA-N 437.559 3.873 0 40 IHAB CCOc1ccc(N(CC(=O)Nc2cccnc2)S(=O)(=O)c2ccc(C)cc2)cc1 803346 IJLDDMGPKOHKCK-UHFFFAOYSA-N 425.510 3.623 0 40 IHAB COC(=O)c1ccc(NC(=O)CSc2nnc(CNc3c(C)cccc3C)n2C)cc1 878149 MJOBBOLTYNCWKB-UHFFFAOYSA-N 439.541 3.561 0 40 IHAB CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(F)cc2)cc1 1003888 DOMKQENWRJFAOT-UHFFFAOYSA-N 443.525 3.778 0 40 IHAB COc1cc(C(=O)N2CCC[C@H](c3nc(-c4cccs4)no3)C2)cc(OC)c1OC 1364499 DXNIUHGXUAEECR-ZDUSSCGKSA-N 429.498 3.844 0 40 IHAB COc1cc(S(=O)(=O)Nc2ccc(C(=O)c3ccncc3)cc2)c(OC)cc1Cl 1431665 HSUGDQPCFPQULN-UHFFFAOYSA-N 432.885 3.784 0 40 IHAB CCOC(=O)c1ccc(COC(=O)c2ccc(C)c(N3C(=O)c4ccccc4C3=O)c2)o1 1443149 ZPTZHGOGHCYGBT-UHFFFAOYSA-N 433.416 3.922 0 40 IHAB COc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2(OC(C)=O)c2ccccc21 1639515 WGLJYSRWLJTYLN-PGAZUGQPSA-N 439.467 3.767 0 40 IHAB COc1ccc(NC(=O)COc2cc3oc(=O)c(C[C@H](C)O)c(C)c3cc2Cl)cc1 2373402 UULGQYGSLFXUDO-LBPRGKRZSA-N 431.872 3.704 0 40 IHAB CCOC(=O)CSc1nnc(CNC(=O)c2cccc(F)c2)n1-c1cc(C)ccc1C 2724024 PVHYDMPLODPXBV-UHFFFAOYSA-N 442.516 3.608 0 40 IHAB O=C(CSc1nncc2ccccc12)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 3221749 CXOOUMPRMQEJPO-UHFFFAOYSA-N 442.566 3.535 0 40 IHAB O=C(COC(=O)c1ccccc1I)Nc1ccc(OC(F)F)cc1 3271925 NYJUHYMXIZCWBJ-UHFFFAOYSA-N 447.175 3.688 0 40 IHAB COC(=O)c1ccc(CNC(=O)CSc2nnc(Nc3ccccc3C)s2)cc1 3273273 RBJJTEZLFOMSLJ-UHFFFAOYSA-N 428.539 3.785 0 40 IHAB O=C(COC(=O)[C@@H]1CCCN1C(=O)c1cccs1)Nc1nc(-c2ccccc2)cs1 3296500 ZEWBUXYVLVNDOH-INIZCTEOSA-N 441.534 3.658 0 40 IHAB O=C(CSc1nc(-c2ccccc2)n[nH]1)Nc1ccc(I)cc1 3550435 XJYLCHUVBYJKRX-UHFFFAOYSA-N 436.278 3.807 0 40 IHAB COc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)N3CCC[C@@H](C)C3)c(=O)[nH]c2c1 6283168 DPDOTMYRNQESOQ-ZHRRBRCNSA-N 436.560 3.850 0 40 IHAB CCOc1ccccc1N1CCN(C(=O)C2CCN(Cc3ccc(OC)cc3)CC2)CC1 6566034 GFAAJROEXOAVHH-UHFFFAOYSA-N 437.584 3.655 0 40 IHAB O=C(NCCCCCCCCNC(=O)c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 8444038 JRKFDSKUFMEPQX-UHFFFAOYSA-N 440.496 3.644 0 40 IHAB O=C1COc2ccc(S(=O)(=O)Nc3ccc4c(c3)ncn4C3CCCCC3)cc2N1 8706625 WMQXPEABVWPPRZ-UHFFFAOYSA-N 426.498 3.673 0 40 IHAB CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N(CC)Cc2ccc(Cl)s2)C1=O 8851834 UPXBCYUPADGWGK-OAQYLSRUSA-N 433.961 3.997 0 40 IHAB COc1ccccc1OCC(=O)Nc1ccc2c(c1)nc(CSc1nccc(C)n1)n2C 8990430 UPLMVCYESSWDFH-UHFFFAOYSA-N 449.536 3.990 0 40 IHAB COC[C@@H](C)NC(=O)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 9356018 DOPQFCBBXFZAOE-LJQANCHMSA-N 438.549 3.847 0 40 IHAB COc1ccc(-n2nc3c(c2NC(=O)c2ccc4ccccc4c2)CS(=O)(=O)C3)cc1 9391548 BEHLEGVVWDDNEL-UHFFFAOYSA-N 433.489 3.715 0 40 IHAB Cc1cccc(-c2nc3scc(CCNC(=O)C(=O)Nc4ccc(C)cc4C)n3n2)c1 9569092 JUGWEVVXCIGDMZ-UHFFFAOYSA-N 433.537 3.680 0 40 IHAB CCCNC(=O)c1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O 9637217 PAUIMGJQKRZHOP-UHFFFAOYSA-N 441.487 3.875 0 40 IHAB COc1ccc2c(CSc3nc4c(cnn4-c4ccccc4)c(=O)[nH]3)cc(=O)oc2c1 9644367 WATCOEKIPNWXQV-UHFFFAOYSA-N 432.461 3.516 0 40 IHAB Cc1cc(NC(=O)c2cc(Br)ccc2Cl)n(-c2nc(C)c(C)c(=O)[nH]2)n1 9660385 NNVUIGRLEXSZBS-UHFFFAOYSA-N 436.697 3.549 0 40 IHAB O=C(Nc1ccc2c(c1)CCC2)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 9666777 LHINBDVQWMNPPJ-GOSISDBHSA-N 434.945 3.538 0 40 IHAB COc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2-n2cccc2)c(OC)c1 9737846 QJRBVTMPRFZKLZ-UHFFFAOYSA-N 449.536 3.730 0 40 IHAB O=C(CSc1nnc(CN2CCCC2)n1-c1ccccc1)N1CCC(c2ccccc2)=N1 9876163 PVEZLSZLIUQSMX-UHFFFAOYSA-N 446.580 3.592 0 40 IHAB COc1ccc(-c2noc(COC(=O)CSc3ncnc4sccc34)n2)c(OC)c1 9960176 ZNAPRRABANTAMM-UHFFFAOYSA-N 444.494 3.594 0 40 IHAB COc1ccc(OC)c(-c2c(C)c3cc(OC(=O)N4CCOCC4)ccc3oc2=O)c1 11866315 REATXJJFWASNTA-UHFFFAOYSA-N 425.437 3.617 0 40 IHAB biogenic CC1(C)Cc2nc(N3CCCC3)ncc2[C@H](NC(=O)c2cccc(N3CCCC3=O)c2)C1 12221055 URULKHLDPRQPOZ-HXUWFJFHSA-N 433.556 3.647 0 40 IHAB CN(C)CCCN(C(=O)CCS(=O)(=O)c1ccc(F)cc1)c1nc2ccccc2s1 12342220 JJLHDBHDSHECQX-UHFFFAOYSA-N 449.573 3.584 0 40 IHAB CCOC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@@H]1c1ccccc1F 12522436 KEBPRLSOFWHNNG-HXUWFJFHSA-N 428.485 3.870 0 40 IHAB O=C(Nc1cccc(Br)c1)c1sccc1S(=O)(=O)N1CCCCC1 12999268 DZXIAGYJKWWPBW-UHFFFAOYSA-N 429.361 3.938 0 40 IHAB O=C(CCCC(=O)N(CC(=O)NC1CCCCC1)Cc1cccs1)Nc1ccccn1 13027521 YTEIDOIANXXOSQ-UHFFFAOYSA-N 442.585 3.730 0 40 IHAB Cc1ccc(NC(=O)CSc2ccccc2C(=O)OCC(=O)N2CCCCC2)cc1 13042252 UKBWBUVVLANPMR-UHFFFAOYSA-N 426.538 3.895 0 40 IHAB Clc1ccc([C@@H](c2nnnn2Cc2ccco2)N2CCN(c3ccccc3)CC2)cc1 13505056 KXRAYWHBBMVUFI-QFIPXVFZSA-N 434.931 3.879 0 40 IHAB Cc1cccc(N2CCN([C@H](c3ccccc3F)c3nnnn3Cc3ccco3)CC2)c1C 13505100 WRAKAULFJSFRFA-XMMPIXPASA-N 446.530 3.982 0 40 IHAB O=C(Nc1cccc(C(=O)NC2CC2)c1)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 16173321 QXRYKPZNGOJVQC-UHFFFAOYSA-N 430.508 3.658 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)OCc2nc3ccccc3s2)cc1 16686159 HAWZVTJNBJILPO-SFHVURJKSA-N 430.551 3.891 0 40 IHAB O=C(/N=c1\sccn1Cc1ccccc1)c1ccc(CS(=O)(=O)c2ccccc2)o1 17370171 MNJYGLPESRCRRL-FCQUAONHSA-N 438.530 3.906 0 40 IHAB COC(=O)[C@H](OC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccccc1 18992855 VCCOZKPRDMVXIM-GOSISDBHSA-N 431.491 3.620 0 40 IHAB CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CCCN(C(=O)C3CCCCC3)C2)n1 19694494 LZXLBBZXTQZJAY-FQEVSTJZSA-N 435.572 3.595 0 40 IHAB CNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)CCn2nccc2C)CC1 19700279 LCHPCDDDDHRIDK-UHFFFAOYSA-N 444.579 3.846 0 40 IHAB CN1CCN(C(=O)c2cc([C@H]3CCN(C(=O)CC4CCCC4)C3)nc3ccccc23)CC1 19761226 MSTKHTVTJFXNRJ-FQEVSTJZSA-N 434.584 3.519 0 40 IHAB O=C(COC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)Nc1cccc(Cl)c1Cl 21131641 GENWHIQCBHQQNO-NSHDSACASA-N 425.243 3.667 0 40 IHAB CS(=O)(=O)N(CC(=O)NCCCc1ccccc1Cl)c1ccc(F)c(Cl)c1 22365546 FOVXDYCRIHVJQZ-UHFFFAOYSA-N 433.332 3.648 0 40 IHAB O=C(CN1CCN(Cc2nnc(-c3ccccc3Cl)o2)CC1)Nc1ccccc1Cl 22915044 LTHUAHMSDJJBAC-UHFFFAOYSA-N 446.338 3.800 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccc(F)c(F)c2)c1 23294557 HFCUKWCCINMHGD-UHFFFAOYSA-N 437.512 3.848 0 40 IHAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(SC)c(C(=O)N3CCCC3)c2)cc1 26114571 WOXUSOVXXFIUBK-UHFFFAOYSA-N 448.566 3.622 0 40 IHAB CCN(CC(=O)Nc1cccc(OC)c1)C(=O)C1=Cc2cc(Br)ccc2OC1 27423021 FESCATXYBYPGDF-UHFFFAOYSA-N 445.313 3.721 0 40 IHAB Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c(Br)c1 28223479 SZPISFYYAAKMFW-OAHLLOKOSA-N 437.359 3.797 0 40 IHAB O=C(COC(=O)COc1ccc(Br)cc1)Nc1ccc(Br)cc1 28291863 UATYYSAKCYULHF-UHFFFAOYSA-N 443.091 3.772 0 40 IHAB COc1ccccc1N1C(SCc2ccc(F)cc2Cl)=N[C@H]2CS(=O)(=O)C[C@@H]21 32640394 YTWYVHVTMKWLDB-RDJZCZTQSA-N 440.949 3.763 0 40 IHAB O=C(NCCc1nnc2ccccn12)c1ccccc1C(=O)c1ccc(Br)cc1 32905414 QPAGRLVHEAZDIL-UHFFFAOYSA-N 449.308 3.695 0 40 IHAB Cc1nn(-c2ccccn2)c2ncc(C(=O)NC[C@@H](c3ccccc3Cl)N(C)C)cc12 32921953 FRPBKWDGVJNAIO-FQEVSTJZSA-N 434.931 3.810 0 40 IHAB COc1ccc(NC2(c3nnnn3-c3ccc(OC)c(OC)c3)CCCCC2)cc1OC 35622613 SWQXHODBUSFFAA-UHFFFAOYSA-N 439.516 3.968 0 40 IHAB O=C(NCc1cccnc1-n1ccnc1)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1 40063335 MFLZYKWALMKZCL-OAQYLSRUSA-N 439.519 3.589 0 40 IHAB CC[C@@H](C)NC(=O)[C@@H]1CCCN(c2nc3c(-c4cccc(OC)c4)csc3c(=O)[nH]2)C1 49421324 HGLRQBNUMRZUNV-GDBMZVCRSA-N 440.569 3.791 0 40 IHAB O=C(Nc1ccc2c(c1)C(=O)N1CCCC[C@H]1CCO2)c1ccc(Cn2ccnc2)cc1 49524333 LJIIUJSPBOOVLY-NRFANRHFSA-N 430.508 3.961 0 40 IHAB CCOc1ccccc1N1CCN(C(=O)c2nnn(-c3cccc(Cl)c3)c2C)CC1 51317395 PRQPTLHGWNVQDS-UHFFFAOYSA-N 425.920 3.590 0 40 IHAB CCOc1cccc(Cn2c(=O)c3sccc3n(CC(=O)Nc3cccc(C)c3)c2=O)c1 57486432 PRQCRTVFIRUQOW-UHFFFAOYSA-N 449.532 3.619 0 40 IHAB O=C(CNc1ccc2c(c1)OC(F)(F)O2)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 57681174 MUPPBOCMLXSDOC-INIZCTEOSA-N 432.423 3.945 0 40 IHAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3ccco3)Oc3ccc(Cl)cc32)cc1 64986155 HDBSEIFIFUQJKH-FQEVSTJZSA-N 446.912 3.514 0 40 IHAB COc1ccc(C(=O)Cn2c(=O)n3nc(-c4ccc(OC)cc4)nc3c3ccccc32)cc1 65534293 OLEHRWHUXQYENK-UHFFFAOYSA-N 440.459 3.611 0 40 IHAB CC[C@@H](C)n1c(SCC(=O)N[C@@H](C)c2ccc(OC)cc2)nc2cc(C)[nH]c2c1=O 67239251 CTGUTLVCZTUOFT-CABCVRRESA-N 428.558 3.982 0 40 IHAB C[C@H]1CCN(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)[C@@H](c2ccco2)C1 72304663 DUWZCCPOHISXAY-GHTZIAJQSA-N 430.570 3.997 0 40 IHAB Cc1cc(CN2CCCCC2)oc1C(=O)N1CC=C(n2c(C)nc(=O)c3ccccc32)CC1 72348216 WSLJRGBETLYCIL-UHFFFAOYSA-N 446.551 3.979 0 40 IHAB COc1cc(CN2CCC[C@H]2c2cccc(Nc3cccc(C)n3)n2)ccc1OCC(N)=O 72375743 SOAYMBFVTMNGTI-FQEVSTJZSA-N 447.539 3.738 0 40 IHAB COc1ccc(-c2nnc(SCc3nn(C)c(=O)[nH]3)n2-c2ccccc2C(C)C)cc1 95468087 ADFFVSSSKNKCMJ-UHFFFAOYSA-N 436.541 3.780 0 40 IHAB O=C(NCCN1CCCC1)c1cc2c(c3ccccc3n2CC2CC2)n1-c1ncccn1 96146532 JWYMMTVPCAYSAL-UHFFFAOYSA-N 428.540 3.611 0 40 IHAB CC1(C)[C@@H]2CC[C@]1(CS(=O)(=O)N1CCN(c3cccc(C(F)(F)F)c3)CC1)C(=O)C2 100098322 HJLLIXPXDJITJH-QRWLVFNGSA-N 444.519 3.553 0 40 IHAB CCN(CC)S(=O)(=O)NC[C@H]1CC[C@H](c2c(C(=O)NC)sc3ccccc32)CC1 100657918 CVHYASKOUUUQLB-IYBDPMFKSA-N 437.631 3.711 0 40 IHAB COc1ccc([C@@H](CC(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)NC(C)=O)cc1 105711754 IVKIGMYPMRADKT-MGPUTAFESA-N 430.574 3.590 0 40 IHAB Cc1ccccc1-c1nn(-c2ccccc2)cc1/C=c1\s/c(=C/C(=O)C(C)(C)C)[nH]c1=O 105741663 LJGUCVLFCPIQNT-IZMQQWDGSA-N 443.572 3.822 0 40 IHAB Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN([C@H](C)c3nc(-c4cccs4)no3)C2)cc1 106183713 QBHFPDIZTXWYSJ-SJORKVTESA-N 446.598 3.858 0 40 IHAB CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3cccc(C(=O)O)c3)n2C)cc1 108982115 CGPFTPVUGOEDAR-AWEZNQCLSA-N 440.525 3.947 0 40 IHAB CC[C@H](NC(=O)[C@@H](CC)N(c1ccc(C)cc1)S(C)(=O)=O)c1ccc(OC)c(OC)c1 219104083 XWDLDMMHGSOSJO-VQTJNVASSA-N 448.585 3.824 0 40 IHAB COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)N[C@@H](C)c1cc(C)ccc1C)=C2C 219191276 PQQWHUHXDMFUPR-INIZCTEOSA-N 444.553 3.709 0 40 IHAB COc1ccc(S(=O)(=O)NCCCc2cccc(OC(C)C)c2)cc1N1CCCC1=O 219227729 HJIHGRHSYJDIHI-UHFFFAOYSA-N 446.569 3.520 0 40 IHAB CCOc1ccc(CCCNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 219985740 TZAYXMRNTRVBIW-UHFFFAOYSA-N 430.570 3.623 0 40 IHAB C[C@H](C(=O)NCCCc1ccc(Cl)cc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220457044 QBCUKJPNBCHXHV-CYBMUJFWSA-N 430.904 3.522 0 40 IHAB CC[C@H](C(=O)Nc1ccc(F)cc1F)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 220749326 BTWGKRTXXPVXPN-MRXNPFEDSA-N 432.876 3.810 0 40 IHAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(OC)cc1 222498997 YVSDUCHMLSSXHM-WZONZLPQSA-N 442.556 3.805 0 40 IHAB COc1ccc(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NCc2ccccc2)cc1OC 222729415 WIZCHPRFWNYGDU-FQEVSTJZSA-N 446.547 3.980 0 40 IHAB CCCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(OC)c(OC)c1 222732217 PALVUVUDBPEEHM-LJQANCHMSA-N 426.557 3.970 0 40 IHAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccccc1OC 223083700 XHFKBKULKPJMPT-QHCPKHFHSA-N 446.547 3.850 0 40 IHAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2Cc2ccccn2)N1Cc1ccncc1 223510936 TWMVVIGDQXGREP-XZOQPEGZSA-N 426.549 3.894 0 40 IHAB CC(C)Oc1ccc(N(CCCC(=O)NCCc2ccc(F)cc2)S(C)(=O)=O)cc1 224906123 JFBMMCHXKFAWDR-UHFFFAOYSA-N 436.549 3.518 0 40 IHAB COC(=O)c1ccccc1NC(=O)CSc1nnc(C23CC4CC(CC(C4)C2)C3)[nH]1 253576413 VUOMAMPGKGKCSI-UHFFFAOYSA-N 426.542 3.790 0 40 IHAB Cc1nc([C@@H]2CCN(C(=O)C3CCCC3)C2)nc2c1CC(=O)N2CCc1ccc(F)cc1 257290628 QDRGMXVIARIWTM-LJQANCHMSA-N 436.531 3.562 0 40 IHAB COc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cc(Cl)ccc3Cl)CC2=O)cc1 408658847 RQDVVDIWTJEEIH-GFCCVEGCSA-N 437.279 3.537 0 40 IHAB CCOC(=O)N1CCN(C(=O)c2ccc3nc(-c4ccc[nH]4)c(-c4ccc[nH]4)nc3c2)CC1 408981108 ZHURZUROLBRRJM-UHFFFAOYSA-N 444.495 3.534 0 40 IHAB COc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3cccc(C)c3)[C@H]2c2ccc(Cl)cc2)cc1 409059516 QEQAYLKJYNJCPV-VNGKGULCSA-O 448.930 3.673 0 40 IHAB O=C(CN1C(=O)S/C(=C/c2ccc(Sc3ccccc3)cc2)C1=O)N1CCOCC1 409139926 PGBFBVQOKYFRQZ-XMHGGMMESA-N 440.546 3.733 0 40 IHAB CCn1c(SCC(=O)Nc2ccccn2)nnc1[C@H](NC(=O)c1ccccc1)C(C)C 409167353 IMWXYXARGJPXKV-LJQANCHMSA-N 438.557 3.551 0 40 IHAB CCCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(Br)c1 409318270 VIKCVWJNVKQJIN-UHFFFAOYSA-N 441.347 3.788 0 40 IHAB O=C1NCC2(CCCCCOc3ccc(Cl)cc31)CCN(C(=O)c1ncccn1)CC2 643557932 AHBFVPPQZQALJD-UHFFFAOYSA-N 442.947 3.735 0 40 IHAB C[C@H]1CN(C(=O)CN2CCCCCOc3ccccc3Oc3ncccc3C2)C[C@H](C)O1 643576086 VRQMYNZCFOXKMQ-PMACEKPBSA-N 439.556 3.874 0 40 IHAB CC[C@H]1NC(=O)N(c2cccc(NC(=O)NC[C@H](O)c3ccc4ccccc4c3)c2)C1=O 1562873402 YLLIHSXMBIEXIB-RTWAWAEBSA-N 432.480 3.530 0 40 IHAB COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C(=O)NCc2ccco2)C(C)C)cc1 846200 YARUPLLRZRBPCJ-QFIPXVFZSA-N 449.507 3.611 0 40 IHAB CC(=O)Nc1cc2cc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)ccc2oc1=O 1040715 JEDUWQLGKBWCIG-UHFFFAOYSA-N 427.265 3.859 0 40 IHAB CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(Br)cc2Br)cc1 2061677 RTYUPNXHYMIEGS-UHFFFAOYSA-N 449.120 3.938 0 40 IHAB Cc1nc(SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)nc(C)c1C 2616430 GVZVLAMKRBRDRY-UHFFFAOYSA-N 440.491 3.988 0 40 IHAB Cc1noc(C)c1COC(=O)c1cccnc1SCC(=O)Nc1ccc2c(c1)OCO2 2662088 GHKCHBARNZWDNZ-UHFFFAOYSA-N 441.465 3.503 0 40 IHAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CSc1n[nH]c(=O)n1C1CC1 3303154 RYBFYZDFDIGAKV-UHFFFAOYSA-N 444.538 3.542 0 40 IHAB O=C(N[C@H]1C[C@H]2C(=O)Nc3ccc(-c4ccc(F)cc4F)cc3C(=O)N2C1)c1ccccc1 8297033 ATXCHFMTWBZEQM-JTSKRJEESA-N 447.441 3.597 0 40 IHAB biogenic,in-vitro O=C(NCc1ccccc1)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(CSc2ccccc2)nn1 8297701 FRPXQLIDGXYTQJ-FJIJXJHWSA-N 447.608 3.597 0 40 IHAB biogenic,in-vitro CC(C)c1ccc(CN(C(=O)c2cc(=O)c3ccccc3o2)[C@@H]2CCS(=O)(=O)C2)cc1 8868028 HUXZILCXBZUURT-LJQANCHMSA-N 439.533 3.746 0 40 IHAB CCCCn1c(SCC(=O)c2cc(C)n(Cc3ccc4c(c3)OCO4)c2C)n[nH]c1=O 9050010 TTWXCDKHBJUOKD-UHFFFAOYSA-N 442.541 3.542 0 40 IHAB COc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)c(OC)c1 9716007 ALPNMRCIQITFSD-UHFFFAOYSA-N 445.427 3.544 0 40 IHAB Cc1noc(C)c1COc1ccc(CC(=O)NCc2ccc(N3CCCC3=O)cc2)cc1 9740165 DRIGIFBVMSADMG-UHFFFAOYSA-N 433.508 3.856 0 40 IHAB O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)C1CCN(C(=O)c2ccco2)CC1 10027622 PPBRANSGAQEWGJ-UHFFFAOYSA-N 433.512 3.755 0 40 IHAB CCOC(=O)c1c(NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)sc2c1CCCC2 10112890 GPYZFAHYDNGNHV-UHFFFAOYSA-N 436.555 3.736 0 40 IHAB COc1ccc([C@H]2c3cccn3CCN2S(=O)(=O)c2cc(F)ccc2F)cc1OC 12361673 YWSKVEMSWGALGH-NRFANRHFSA-N 434.464 3.577 0 40 IHAB O=C1Nc2ccccc2CC[C@H]1SCC(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 12389845 VXXYBIWYHPDFFN-HXUWFJFHSA-N 444.984 3.837 0 40 IHAB Cc1ccc(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)cc1NS(C)(=O)=O 12521268 YUFRNVWDTCHPAM-LJQANCHMSA-N 435.615 3.631 0 40 IHAB CCc1cccc(-n2c(SCc3nnc(-c4ccco4)o3)nnc2N2CCOCC2)c1 12550938 JYLZXAFSEYMBLQ-UHFFFAOYSA-N 438.513 3.602 0 40 IHAB C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)N[C@H](c2ccccc2)c2cccs2)C1=O 12785895 SJNOFRGPJPHHLT-RDGATRHJSA-N 447.560 3.897 0 40 IHAB Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)N2CCC(C(=O)N3CCCCC3)CC2)c1 12898896 BTDUPHYVLXWNQD-UHFFFAOYSA-N 441.601 3.557 0 40 IHAB Cc1nn(CC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c(=O)c2ccccc12 12916032 RCXNWYNXDNDDFR-QGZVFWFLSA-N 440.503 3.835 0 40 IHAB CC[C@H](NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(Br)cc1 12974658 STLCYJZRBKDSFN-SFHVURJKSA-N 437.359 3.771 0 40 IHAB CCOC(=O)c1ccc(C)c(NC(=O)[C@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)c1 13612231 BSVYXHNLUHFCEC-KRWDZBQOSA-N 432.542 3.582 0 40 IHAB COc1ccc(NC(=O)[C@]2(N3CCC3=O)CC[C@@H]3Cc4ccccc4C[C@@H]3C2)c(OC)c1 16949531 HARNOLVNZSGSSF-KYTVRQNUSA-N 434.536 3.829 0 40 IHAB COc1ccc(-c2nc(C)c(CCNS(=O)(=O)c3ccc(C)cc3)s2)cc1OC 17050942 IRYGGRQPQXZBST-UHFFFAOYSA-N 432.567 3.965 0 40 IHAB CC(C)C(=O)N1CCC(c2nc([C@H]3CCCN(CC4CCCCC4)C3)cc(=O)[nH]2)CC1 19085352 KZKZPFDBUJQBII-NRFANRHFSA-N 428.621 3.892 0 40 IHAB Cc1cc(C)n(C)c(=O)c1C(=O)N1CCC[C@H](c2cc3nc(C(F)(F)F)ccc3[nH]2)C1 19572137 RBATVBIOHCWXRK-AWEZNQCLSA-N 432.446 3.917 0 40 IHAB CNC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2c(OC)cccc2OC)C1 19591665 DSCVKIUKDMEAST-MHZLTWQESA-N 445.563 3.947 0 40 IHAB Cc1ccccc1OCCN1C(=O)CCc2c(C)nc(CN(C)C(=O)C3CCCC3)nc21 19698406 NGRXAACTXYIKKA-UHFFFAOYSA-N 436.556 3.600 0 40 IHAB Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(F)cc2)cc1 20020096 POGWLPQLELBGQJ-UHFFFAOYSA-N 428.485 3.630 0 40 IHAB Cc1c(C(=O)NC[C@H](c2ccco2)N2CCOCC2)oc2ccc(Br)cc12 20648220 GSBYKYHKLVTHDM-MRXNPFEDSA-N 433.302 3.900 0 40 IHAB CCOC(=O)C1CCN(CC(=O)N2N=C(c3cc4ccccc4o3)C[C@H]2c2ccco2)CC1 21365004 RLLQXWPBAHVEDA-FQEVSTJZSA-N 449.507 3.979 0 40 IHAB O=C1C[C@@H](N2CCN(c3ccccc3)CC2)C(=O)N1c1ccc(Oc2ccccc2)cc1 21816704 UDTCKNMNQIIRKO-XMMPIXPASA-N 427.504 3.933 0 40 IHAB CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O 22102842 ZVVCGFNPWQUFIO-LOEAVSEUSA-N 443.544 3.571 0 40 IHAB CC[C@@H](NC(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O)c1ccc(C)c(C)c1 22336123 FGEYTSSEKGADOQ-GOSISDBHSA-N 438.977 3.999 0 40 IHAB Cc1ccccc1OC[C@H](C)NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 22342511 DWOZMKGOFGHMPV-AWEZNQCLSA-N 445.368 3.652 0 40 IHAB O=C(NCc1ccc(COCC(F)(F)F)cc1)N1CCN(Cc2ccccc2F)CC1 22431667 BVHCACWBOLMWKV-UHFFFAOYSA-N 439.453 3.932 0 40 IHAB Cc1ccc(C(=O)N[C@H](CC(C)C)c2ccccc2)cc1S(=O)(=O)N1CCOCC1 22533992 HBHWMOQGULAPTN-OAQYLSRUSA-N 430.570 3.533 0 40 IHAB CC(C)(C)c1cc(NC(=O)CCCC(=O)c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1 22968579 PXGNJODNJKWFTE-AWEZNQCLSA-N 437.587 3.593 0 40 IHAB CCN(CCCNC(=O)[C@@H](C)NC(=O)c1ccc(Br)cc1)c1ccccc1 23074423 DFXTUAQIECZUIQ-MRXNPFEDSA-N 432.362 3.600 0 40 IHAB O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)Nc1ccc(N2CCOCC2)cc1 23296825 JMZLFQJYUXZERA-UHFFFAOYSA-N 446.532 3.600 0 40 IHAB Cc1cc(=O)c(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)nn1-c1ccccc1Cl 23805692 KWUXPPBPQGBAAQ-JXMROGBWSA-N 448.954 3.666 0 40 IHAB C[C@@H](C(=O)Nc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1)n1cncn1 24576349 RJECYQNQOZKLPK-NSHDSACASA-N 440.312 3.585 0 40 IHAB CC1(C)NC(=O)N(CCSc2nc3ccccc3c(=O)n2CCC2=CCCCC2)C1=O 28012283 TXLGJINANKPPHU-UHFFFAOYSA-N 440.569 3.710 0 40 IHAB O=C([C@H](Sc1nnc(COc2ccccc2Cl)o1)c1ccccc1)N1CCOCC1 32741710 YTHNGZVPQQQLMZ-LJQANCHMSA-N 445.928 3.994 0 40 IHAB COc1ccc(-c2nc(C(=O)N3CCC[C@@H](c4nnc5ccccn45)C3)cs2)cc1OC 32830604 HNNSLOYCVWAIQW-MRXNPFEDSA-N 449.536 3.890 0 40 IHAB Cc1nn(-c2ccccc2)c2nc(-c3cccs3)cc(C(=O)OCC(=O)NC3CC3)c12 33644238 IFHFCBOIVUAAFC-UHFFFAOYSA-N 432.505 3.893 0 40 IHAB c1ccc2c(CN3CCC[C@H]3c3nc(-c4ccnc(N5CCOCC5)c4)no3)c[nH]c2c1 35424601 KIIFIRZZVMMQOQ-NRFANRHFSA-N 430.512 3.787 0 40 IHAB biogenic,in-vitro Cc1ccc(-c2cc(C(=O)OCC(=O)N(C)Cc3ccc(OC(F)F)cc3)[nH]n2)cc1 40034454 QZRXVDCEPPYSRE-UHFFFAOYSA-N 429.423 3.802 0 40 IHAB Cc1cc(N2CCOCC2)ccc1NC(=O)Cc1csc(NC(=O)c2ccccc2)n1 40074589 WFJWDQIODXHSFQ-UHFFFAOYSA-N 436.537 3.722 0 40 IHAB COc1ccc(NC(=O)C(=O)NCC2CCN(Cc3cc(C)oc3C)CC2)cc1Cl 43941138 LIXUHKRTBPYXHK-UHFFFAOYSA-N 433.936 3.525 0 40 IHAB CCc1ccccc1N(CC(=O)NCCSCc1cccc(Cl)c1)S(C)(=O)=O 44791273 XKSNWXLQBJRKAS-UHFFFAOYSA-N 441.018 3.718 0 40 IHAB CC[C@H]1CCCCN1C(=O)Cn1c(=O)n(-c2ccc(C)c(C)c2)c(=O)c2sccc21 57491061 QUPLXIDVOGYDTI-KRWDZBQOSA-N 425.554 3.622 0 40 IHAB 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Cc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCCC[C@H]3C)nc(O)c21 253571204 ORDIVELMNCAXPV-OCCSQVGLSA-N 429.908 3.587 0 40 IHAB Cc1cc(N(C)C)nc([C@@]2(C)CCCN(C(=O)c3cccc(Oc4ncccn4)c3)C2)n1 257203449 AQCRAYFUYHILGN-DEOSSOPVSA-N 432.528 3.627 0 40 IHAB CNC(=O)c1sc2ccccc2c1[C@H]1CCN(C(=O)CN(C)Cc2ccc(F)cc2)C1 257213030 CFXFRJFLUOWEOQ-KRWDZBQOSA-N 439.556 3.848 0 40 IHAB Cc1nc2cc([C@H]3CCN(Cc4cccnc4)C3)nn2c(C)c1CCC(=O)NC(C)(C)C 257234344 GTCKRTKWWUGWHD-FQEVSTJZSA-N 434.588 3.578 0 40 IHAB CCc1nccn1-c1cccc([C@@H]2CCCN2C(=O)CC2CCN(c3ncccn3)CC2)n1 257236045 HAORZNAPVQTKGU-NRFANRHFSA-N 445.571 3.590 0 40 IHAB Cc1nc(CN2CC[C@@H](NC(=O)c3ccsc3)c3ccccc3S2(=O)=O)cs1 306134374 NLHPAPNUFKTNFI-QGZVFWFLSA-N 433.580 3.579 0 40 IHAB COc1ccc(Br)c(C(=O)N2CC[C@@H](c3cccs3)S(=O)(=O)CC2)c1 390829986 HYCSZYWSBXOVIR-INIZCTEOSA-N 444.372 3.521 0 40 IHAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)CCc2ccccc2)cc1Cl 408586740 BBWKOYOEUJKRBH-CVEARBPZSA-N 438.977 3.543 0 40 IHAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccccc3)C2=O)ccc1OC(C)=O 409220220 ZNTUVLLZTUMDJQ-UDWIEESQSA-N 425.462 3.930 0 40 IHAB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C\c2c(OC)ccc3ccccc23)C1=O 409231176 INXHTBXGCIFABR-STZFKDTASA-N 429.476 3.942 0 40 IHAB CCOc1ccc(-n2c(SCC(=O)NCc3ccco3)nnc2-c2cccnc2)cc1 796427 WKJBNKNDISGUOJ-UHFFFAOYSA-N 435.509 3.730 0 40 IHAB O=C(O)[C@H]1CCCC[C@@H]1C(=O)N1CCN(c2nc(-c3ccccc3)c3ccccc3n2)CC1 1471104 OKRPGRKUIHZNFX-PMACEKPBSA-N 444.535 3.836 0 40 IHAB O=c1c2c3c(sc2n(CCN2CCCC2)c(=O)n1CCc1ccccc1)CCCCC3 2219411 WEIKFUAOJXMQNV-UHFFFAOYSA-N 437.609 3.832 0 40 IHAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)C(C)(C)C)c1 3291130 ZKUNLKNQGCOKMI-UHFFFAOYSA-N 437.945 3.933 0 40 IHAB CC(=O)Nc1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)c1 3363217 RUKGCGZNZFOKML-UHFFFAOYSA-N 427.457 3.837 0 40 IHAB CCOc1ccc(-c2nc(CSc3nnc(-c4cccnc4)n3N)cs2)cc1OC 3389309 UPJYWFKVGNHULQ-UHFFFAOYSA-N 440.554 3.877 0 40 IHAB COc1ccc(O[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)[C@H]2c2ccc3c(c2)OCO3)cc1 3653552 KZJKNUIKFKVUTB-ZEQRLZLVSA-N 447.443 3.684 0 40 IHAB CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)COc1cc(C)ccc1C 4943779 AVMGBZIXWODVQF-UHFFFAOYSA-N 425.485 3.798 0 40 IHAB Cc1ccccc1Oc1ccc(S(=O)(=O)Nc2cc(C(=O)O)cc(C(=O)O)c2)cc1 6142756 KPTIDMNZIZKNOD-UHFFFAOYSA-N 427.434 3.985 0 40 IHAB O=C(CSc1nnc(C2CC2)n1C1CC1)Nc1ccccc1C(=O)NC1CCCC1 7905025 BUFLOIZMYAASNO-UHFFFAOYSA-N 425.558 3.894 0 40 IHAB O=C1NC(=O)[C@@]2(Cc3ccccc3N3CCC[C@@H]32)C(=O)N1c1cc(Cl)ccc1Cl 8694633 IRCOXFXHTKIHEQ-UTKZUKDTSA-N 430.291 3.788 0 40 IHAB COC(=O)c1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2F)c(F)c1 8810709 QESATBUPRMTJNZ-UHFFFAOYSA-N 446.431 3.805 0 40 IHAB CCCOc1c(Cl)cc(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)cc1OCC 8824930 RSNBTKJSNJMCJP-UHFFFAOYSA-N 447.871 3.898 0 40 IHAB COc1ccc(Br)cc1CN(C)[C@@H](C)C(=O)Nc1ccc2c(c1)OCCO2 8941646 DASLVQGSBHLLNC-ZDUSSCGKSA-N 435.318 3.688 0 40 IHAB COc1ccccc1N1CCN(C(=O)c2csc(NC(=O)Nc3ccccc3)n2)CC1 8979892 SOXMQJGIBBHXDS-UHFFFAOYSA-N 437.525 3.758 0 40 IHAB CCc1cc(=O)oc2cc(OCC(=O)Nc3ccc(Cn4cncn4)cc3)c(Cl)cc12 9133900 GLQLLYKFLHSYSK-UHFFFAOYSA-N 438.871 3.666 0 40 IHAB O=C(NCCc1c[nH]c2ccccc12)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 9216827 OOZFXEVTZMMHTP-UHFFFAOYSA-N 431.945 3.578 0 40 IHAB COc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2ccccc2C)cc1Cl 9238582 MEXPRQYKFDUCBR-MSOLQXFVSA-N 429.933 3.955 0 40 IHAB O=C(c1ccccc1Cl)N(Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 9345339 JOXZNDODVOEITG-HNNXBMFYSA-N 442.762 3.932 0 40 IHAB COC(=O)c1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(C(F)(F)F)c2)cc1 9373386 KKOBNMUOEIGIMA-QGZVFWFLSA-N 433.386 3.759 0 40 IHAB Cc1ccccc1N1C[C@@H](C)Cn2c1nc1c2c(=O)n(Cc2ccc(Cl)cc2)c(=O)n1C 9519332 CXHOMKXWYWOLIP-OAHLLOKOSA-N 449.942 3.695 0 40 IHAB COc1ccc(Cl)cc1NC(=O)Cc1csc(NC(=O)c2ccc3c(c2)OCO3)n1 9659320 KHCHXCXKGVUMLB-UHFFFAOYSA-N 445.884 3.967 0 40 IHAB COc1ccc(CN2CCN(c3nc(C(F)(F)F)nc4ccccc34)CC2)cc1OC 9666369 VTILYQQWNMGRHP-UHFFFAOYSA-N 432.446 3.988 0 40 IHAB C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccs1)c1ccc2c(c1)OCCO2 9883868 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CCc1ccc(N(CC(=O)NC2CCCC2)C(=O)CCC(=O)Nc2nccs2)cc1 13501696 YAEFBHNVQRWCOO-UHFFFAOYSA-N 428.558 3.516 0 40 IHAB COc1ccc(Cl)cc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2cccc(C)c2C)C1 13517193 FPFCORQXACLGFN-HNNXBMFYSA-N 430.888 3.500 0 40 IHAB CCOC(=O)c1c(NC(=O)CSc2nnc(-c3ccccn3)o2)sc(C(C)=O)c1C 13566174 CFPKFWBBJZZJIL-UHFFFAOYSA-N 446.510 3.612 0 40 IHAB CCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)C2CC2)CC3)cc1 13696986 FMFPNLFJJSHZQL-UHFFFAOYSA-N 427.526 3.525 0 40 IHAB CCC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3cccc(C)c3)co2)s1 16047756 AIJOBSVSGFJRFC-UHFFFAOYSA-N 431.495 3.660 0 40 IHAB CC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2cccc(Cl)c2Cl)cc1 16320905 QYGRIGOXONYJII-UHFFFAOYSA-N 441.365 3.953 0 40 IHAB CC1CCC(N2CC[C@H](c3nc(O)c4c(n3)CN(C(=O)c3ccccc3F)CC4)C2)CC1 19495947 AIKUDKXELYJWED-ADKAHSJRSA-N 438.547 3.888 0 40 IHAB Cc1cc2occ(CC(=O)N3CCCC[C@@H]3c3nc(C)c4c(n3)N(C)C(=O)C4)c2cc1C 19739596 UQKCKRHWWJUQDK-HXUWFJFHSA-N 432.524 3.963 0 40 IHAB O=C(NCc1ccccc1Cl)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 19860966 GRYFNNZJCNUCKW-QGZVFWFLSA-N 441.380 3.852 0 40 IHAB O=C(NCCC1=CCCCC1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 20007600 PDUXOKLCAFYFPE-QFIPXVFZSA-N 430.545 3.722 0 40 IHAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(F)cc3)cc2)cc1 20019873 NHKCXXNWYDFMDK-UHFFFAOYSA-N 428.485 3.630 0 40 IHAB C[C@H](Sc1nnc2sc3ccccc3n12)C(=O)N1CCN(Cc2ccccc2)CC1 20980152 JLKXTZCSMWCJDB-INIZCTEOSA-N 437.594 3.769 0 40 IHAB C[C@@H](c1nc2ccccc2s1)N1CCN(C(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)CC1 22298666 GHFGEPHVCAIRPP-YOEHRIQHSA-N 438.528 3.767 0 40 IHAB O=C(NC[C@H](c1cccs1)N1CCc2ccccc2C1)C(=O)Nc1cc(F)ccc1F 22908279 IVZJAJGFNIXTTE-HXUWFJFHSA-N 441.503 3.881 0 40 IHAB COCCn1nnnc1[C@@H](CC(C)C)N1CCN(C(c2ccccc2)c2ccccc2)CC1 22928835 KNSVJTSWPXFJGH-XMMPIXPASA-N 448.615 3.814 0 40 IHAB CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)CN1C(=O)NC2(CCCCC2)C1=O 23805592 AFLOHYOJTFPQOW-UHFFFAOYSA-N 449.551 3.869 0 40 IHAB COCCCN1C(=O)C(O)=C(S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(C)cc1 24193004 GVOMRISTGVLJIW-GOSISDBHSA-N 435.929 3.812 0 40 IHAB Cn1c(SCC(=O)N2CCC[C@H]2c2cccs2)nnc1[C@@H]1COc2ccccc2O1 24630764 MERHYVBSOJLINH-YOEHRIQHSA-N 442.566 3.845 0 40 IHAB C[C@H]1c2cccn2CCN1CC(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 26474214 CONPMDMFPOWUBV-ZDUSSCGKSA-N 442.869 3.634 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1-n1cccc1 27752327 FPJLRFPWWHVZDY-UHFFFAOYSA-N 437.481 3.559 0 40 IHAB O=C(Nc1ccc(Cn2cncn2)cc1)[C@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1 32093074 HRBJJNVYZJPSJO-AWEZNQCLSA-N 430.295 3.625 0 40 IHAB O=C(NCCC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2)c1ccsc1 32492907 CBBQJKZHZWIWLX-UHFFFAOYSA-N 428.535 3.934 0 40 IHAB CCc1cccc2c(/C=C3/C(=O)N(CC)C(=S)N3C)cn(CC(=O)N3CCCCC3)c12 39556479 PWZFIUQMIUTZEO-ZHZULCJRSA-N 438.597 3.636 0 40 IHAB CC[C@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2ccc(Br)cc2)c1=O 44840253 QQXHUUYKCXCRLL-ZDUSSCGKSA-N 430.302 3.535 0 40 IHAB COC(=O)c1cn(CC(=O)N[C@@H](C)Cc2ccc(Br)cc2)c2ccccc12 48312301 KDNRMCGHRFDZMV-AWEZNQCLSA-N 429.314 3.938 0 40 IHAB Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NCCN1C[C@H](C)O[C@@H](C)C1 48342304 JDERLGMPOJXKHA-KBPBESRZSA-N 439.387 3.564 0 40 IHAB CSc1nc2ccsc2c(=O)n1CC(=O)Nc1ccc(Br)cc1F 57504964 GOYKJTXBPOCQSB-UHFFFAOYSA-N 428.308 3.720 0 40 IHAB CCC[C@H](C)NC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C)cc2)c2cc(Cl)ccc2O1 64986199 KEQTXUYEFOUTME-MGPUTAFESA-N 436.961 3.910 0 40 IHAB COc1ccc(CC[C@H]2CCCCN2C(=O)CCNC(=O)c2cccs2)cc1OC 70038163 KZABEPRKYFJUFN-GOSISDBHSA-N 430.570 3.899 0 40 IHAB Cc1cc(C(F)(F)F)n2nc(C(=O)N3CCC[C@@]4(C)c5nc(C)ncc5CC[C@@H]34)cc2n1 72342446 OXEIAAPLZAISEQ-IIBYNOLFSA-N 444.461 3.664 0 40 IHAB COCCOc1ccc(C(=O)N2CCNC(=O)[C@H]2Cc2cccc(-c3ccccc3)c2)cc1 72351796 OARNGKAHVZYRAQ-RUZDIDTESA-N 444.531 3.562 0 40 IHAB Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1CN(C)CCNC(=O)N(C)C 95467773 VDZJQSHJZGYDOM-UHFFFAOYSA-N 432.783 3.903 0 40 IHAB CC(C)N(CC(=O)N(C(C)C)C(C)C)C[C@H]1CCCN(CC(=O)N(C(C)C)C(C)C)C1 95979974 HSGKHKSLMUKHDU-QHCPKHFHSA-N 438.701 3.700 0 40 IHAB CCOc1ncc(C2(O)[C@@H]3CCC[C@@H]2CN(Cc2cc(C)ccc2OC)C3)c(OCC)n1 100732659 YRXVHRZAVPSTDA-WOJBJXKFSA-N 441.572 3.711 0 40 IHAB S=C(NCc1cccc(CNC(=S)N[C@@H]2C[C@@H]3CC[C@@H]2C3)c1)N[C@@H]1C[C@H]2CC[C@@H]1C2 100999101 SWUWBRFMBUQOLC-BCQQFQMVSA-N 442.698 3.992 0 40 IHAB COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4OC)C(=O)[C@@H]3ON2c2ccccc2)cc1 101083941 ARZHICNHPZMVIN-DNVJHFABSA-N 430.460 3.755 0 40 IHAB CCOC(=O)CN(c1c(C)cccc1C)S(=O)(=O)c1ccc(Br)cc1 113882143 UPUTZGBRCQKYCM-UHFFFAOYSA-N 426.332 3.824 0 40 IHAB CN(c1ccccc1C(=O)NCc1ccc(-n2ccnc2)cc1)S(=O)(=O)c1ccccc1 216358974 JWLBPPHYHXWGJL-UHFFFAOYSA-N 446.532 3.627 0 40 IHAB COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)N[C@H](C)c1ccc(C)c(C)c1)=C2C 219194131 FGDBXQGHGVRCEI-MRXNPFEDSA-N 444.553 3.709 0 40 IHAB Cc1ccccc1OC[C@H](C)NC(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 219633292 ZVQWMVCYIVPUPF-KRWDZBQOSA-N 438.977 3.778 0 40 IHAB COc1ccc(OC)c(NC(=O)[C@H](C)N(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1 220191286 WSXUZUBZRHXFKA-LBPRGKRZSA-N 446.447 3.516 0 40 IHAB C[C@@H](C(=O)NCc1ccncc1)N(Cc1ccccc1)C(=O)COc1ccccc1Cl 222726637 WPWRRPGYJAXCQI-SFHVURJKSA-N 437.927 3.848 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)NCC2CCCCC2)c2ccc(F)cc2)cc1 223905090 ALQMGSVZPZOREV-UHFFFAOYSA-N 434.533 3.726 0 40 IHAB CCN(c1ccc(C(=O)Nc2nnc(SCC(C)C)s2)cc1)S(=O)(=O)CC 224017910 BAJFTDJBZXRGIR-UHFFFAOYSA-N 428.605 3.715 0 40 IHAB Cc1ccc(OCCNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1Cl 224172889 LIHQMSYBKARXMC-UHFFFAOYSA-N 436.961 3.632 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCCOc1ccccc1)c1ccc(Cl)c(Cl)c1 224896757 LVFXITYNGCWTJX-UHFFFAOYSA-N 445.368 3.735 0 40 IHAB CC(C)(Cc1ccccc1)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 225558286 GWLGISDHUIEEQG-SFHVURJKSA-N 434.989 3.878 0 40 IHAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2OC)cc1C(=O)N1CCCCCC1 225857352 WPEWAIPZTPVOLR-KRWDZBQOSA-N 446.569 3.760 0 40 IHAB CCn1cc(CN2CCO[C@@H](c3cc(CCOc4ccccc4Cl)[nH]n3)C2)c(C)n1 257272190 NBJRBFUFOFJKGZ-JOCHJYFZSA-N 429.952 3.783 0 40 IHAB COc1ccc(F)cc1-c1ccc2nc([C@H]3CCCN(C(=O)c4cnc(C)cn4)C3)nn2c1 306127531 GATQWYKOPZRAGZ-KRWDZBQOSA-N 446.486 3.662 0 40 IHAB COc1cccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(C)cc2)c1 409054504 ASZRSARRRZTDBU-VNGKGULCSA-O 448.930 3.673 0 40 IHAB Cc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3C)n2C)cc1Cl 409061610 YISGSMMUBDHOMI-UHFFFAOYSA-N 443.960 3.746 0 40 IHAB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OC)c(OCc3ccccc3)c2)C1=O 409064441 PMMYGKWHEGOPRF-BXUJETTOSA-N 427.478 3.872 0 40 IHAB COc1cc(Br)cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)c1OC 409238778 NTKCQVOAVXRCGB-CXUHLZMHSA-N 431.286 3.868 0 40 IHAB CCCN1Cc2cccc(NS(=O)(=O)c3cc(Br)cc(OC)c3)c2C1 546882004 MFCUDZJDLZPJKZ-UHFFFAOYSA-N 425.348 3.984 0 40 IHAB O=C(c1cc(C2CC2)nc2ccccc12)N1CCOC[C@H]1c1ncnn1-c1ccccc1 556464543 YCTKZFJWUSRTMI-QHCPKHFHSA-N 425.492 3.907 0 40 IHAB O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 556826225 SOOZAQFLUOXIQJ-GUDVDZBRSA-N 427.444 3.778 0 40 IHAB Cc1ccc(-c2ccc3c(c2)C2(CCOCC2)CN3C(=O)CCN2CCN(C)CC2)cc1 585105826 QVMXNFZXKWLNCP-UHFFFAOYSA-N 433.596 3.694 0 40 IHAB NC(=O)c1cc(-c2nc3ccc(Cl)cn3c2-c2c(O)c3ccccc3oc2=O)ccc1O 604419526 IRVPNVGSHCRZHX-UHFFFAOYSA-N 447.834 3.938 0 40 IHAB Cc1ccnn1-c1ccc(C(=O)Nc2nc(-c3cccc(-n4cnnn4)c3)cs2)cc1 643158523 WKUAUTURJKSXSC-UHFFFAOYSA-N 428.481 3.532 0 40 IHAB CC(=O)c1cccc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3)n2C)c1 933600 XPKCJBZURQJYEC-UHFFFAOYSA-N 430.917 3.981 0 40 IHAB CCc1cc(N2C(=O)C=CC2=O)cc(C)c1Cc1c(C)cc(N2C(=O)C=CC2=O)cc1CC 2565884 KYFKVNWJGYDLCR-UHFFFAOYSA-N 442.515 3.878 0 40 IHAB COC(=O)c1sc2nc(C)nc(S[C@@H](C)C(=O)NCc3ccc(OC)cc3)c2c1C 3309553 QAAPNFMDXWZIPV-LBPRGKRZSA-N 445.566 3.900 0 40 IHAB Cc1ccc(Cn2c(=O)c3ccccc3n3c(SCC(=O)N[C@@H](C)C(C)C)nnc23)cc1 3511907 LBJKMEMKZAMGER-KRWDZBQOSA-N 449.580 3.654 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3C)CC2)c2cccnc12 4143046 FCZPXTFETFVWJQ-UHFFFAOYSA-N 439.537 3.591 0 40 IHAB Cc1[nH]n(-c2ccccc2)c(=O)c1C(c1ccccn1)c1c(C)[nH]n(-c2ccccc2)c1=O 6177565 BYSRGEMXCPMSJI-UHFFFAOYSA-N 437.503 3.837 0 40 IHAB C[C@@H](Oc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)NC1CC(C)(C)NC(C)(C)C1 6659594 CBWCIYAAMGAWQK-OAHLLOKOSA-N 426.557 3.865 0 40 IHAB CCCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(Cl)cc3)CC2=O)cc1 8383810 BDSQFHLOUREJEZ-QGZVFWFLSA-N 443.883 3.686 0 40 IHAB COc1ccccc1CNC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12 8791099 ZCZAKTXYTRHCCK-WIOPSUGQSA-N 437.499 3.963 0 40 IHAB biogenic Cc1nc(NS(=O)(=O)c2ccccc2)sc1C(=O)NCCc1c[nH]c2ccccc12 8978147 PWSWPXVHVGCSDN-UHFFFAOYSA-N 440.550 3.706 0 40 IHAB O=C(NCc1ccccc1)c1ccccc1NC(=O)C1CCN(C(=O)c2ccco2)CC1 9095583 OPIPFWYPUMLYIA-UHFFFAOYSA-N 431.492 3.701 0 40 IHAB O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1CC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1 9199134 WTYXZJWRCOBSJG-OAHLLOKOSA-N 439.899 3.622 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCN=C2SCc2ccccc2F)cc1 9381096 IIZJODRHVQTRCQ-UHFFFAOYSA-N 449.573 3.601 0 40 IHAB Nn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1cc(-c2ccc(Cl)cc2)n[nH]1 9451523 YUNNEWQSTPZNNQ-UHFFFAOYSA-N 443.895 3.572 0 40 IHAB O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1)N1CCc2ccccc21 9492103 RPDRHCAUZULWOV-LJQANCHMSA-N 438.528 3.945 0 40 IHAB O=C(COc1ccc(-n2cnnn2)cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 9492826 YTRJRHJMMIDYHP-UHFFFAOYSA-N 431.296 3.717 0 40 IHAB O=S(=O)(Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1)c1ccc2c(c1)CCCC2 9569137 GOIDIIHZIXZQJJ-UHFFFAOYSA-N 440.974 3.560 0 40 IHAB CCOC(=O)c1c(NC(=O)COC(=O)C2=C(Cl)CCCC2)sc(C(C)=O)c1C 9578384 KUCAWJMIEZVSTF-UHFFFAOYSA-N 427.906 3.984 0 40 IHAB C[C@H]1c2cccn2CCN1S(=O)(=O)c1cc(Br)ccc1Br 9583235 SIIZOHBHYVMVNQ-JTQLQIEISA-N 434.153 3.779 0 40 IHAB Cc1cc(C)n2c(CNC(=O)c3cc(-c4cccs4)nn3-c3ccccc3)nnc2n1 9592864 XZKSWBWRIZJRIK-UHFFFAOYSA-N 429.509 3.585 0 40 IHAB CCOc1ccc(C(=O)N[C@H](C(=O)NCCc2ccc(OC(F)F)cc2)C(C)C)cc1 9832048 VSKJMXVEIMUIPE-FQEVSTJZSA-N 434.483 3.800 0 40 IHAB COc1cc(/C=C/C(=O)O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1C 9960282 AHFDWJLUYGRBHD-FNORWQNLSA-N 441.299 3.940 0 40 IHAB Cc1cc2c(=O)n(Cc3ccco3)c(SCC(=O)Nc3cccc(O)c3)nc2s1 9970683 RBJUDLYGOCDVIY-UHFFFAOYSA-N 427.507 3.844 0 40 IHAB COc1ccccc1NC(=O)CSc1nc(=O)n(Cc2cccs2)c2c1CCC2 10186701 ZCUKAUAIMMPBQW-UHFFFAOYSA-N 427.551 3.581 0 40 IHAB CCOC(=O)c1ccc(NC(=O)Cn2nc3c4c(cccc4c2=O)-c2ccccc2-3)cc1 10233274 RTBBEDSVQYPOQR-UHFFFAOYSA-N 425.444 3.859 0 40 IHAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)N3c4ccccc4C[C@@H]3C)Oc3ccccc32)cc1 10449889 SQSBMZHSIOLXTL-UUOWRZLLSA-N 448.544 3.929 0 40 IHAB CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCc4sccc4C3)CC2)cc1 10922734 YHLWMKDNIOBWNM-UHFFFAOYSA-N 432.611 3.857 0 40 IHAB Cc1ccccc1C(=O)N1CCC(C(=O)Nc2nc3cc4c(cc3s2)OCCO4)CC1 11751415 QAUBZTQSLXIPOG-UHFFFAOYSA-N 437.521 3.867 0 40 IHAB C[C@H](OC(=O)CCn1c(=O)n(C)c2ccccc21)C(=O)Nc1ccccc1-c1ccccc1 11962806 WXAVILHNQGNHPZ-SFHVURJKSA-N 443.503 3.968 0 40 IHAB Cc1ccc(N2C(=O)[C@H]3C(=O)Oc4ccc(Br)cc4[C@@H]3C(C)(C)C2=O)cc1 12447773 DJDXMIVSCGGMBJ-IRXDYDNUSA-N 428.282 3.976 0 40 IHAB CN(C)C1(CNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)CCCCCC1 12605640 HADNKWKHJDAIKC-UHFFFAOYSA-N 429.586 3.872 0 40 IHAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CN1C(=O)N[C@@](C)(c2ccc(C(C)C)cc2)C1=O 12682657 RUYXQGVIUYUPBB-DEOSSOPVSA-N 439.512 3.582 0 40 IHAB CCc1ccc([C@@H](C)NCC(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2C)cc1 12981878 LDCPHRPZILFIIZ-GOSISDBHSA-N 431.602 3.877 0 40 IHAB CSCC[C@@H](C(=O)Nc1cccc(Br)c1)N1C(=O)c2ccccc2C1=O 13027334 RKEXZYLXQKLTEU-INIZCTEOSA-N 433.327 3.806 0 40 IHAB CC[C@H](c1nnnn1C(C)(C)CC)N(CCCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O 13064686 UHYTWNATQRIWMK-OAQYLSRUSA-N 440.592 3.612 0 40 IHAB CC[C@@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)NC1CCCC1 13556898 ZKDFEQXJJGTFOU-OFITYZOYSA-N 443.613 3.625 0 40 IHAB COc1ccc(CN(C(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)[C@@H]2CCS(=O)(=O)C2)cc1 13750092 QEPWMNSOPZJPKQ-KYJSFNMBSA-N 446.396 3.802 0 40 IHAB O=C(NC[C@H]1CCCO1)c1ccccc1NS(=O)(=O)c1cc(Cl)ccc1Cl 14870430 LGESYFJUDLDPGJ-CYBMUJFWSA-N 429.325 3.703 0 40 IHAB Cc1ccc(C(=O)NC(=S)N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1 17096408 ZYXAGKCOAUSKGL-UHFFFAOYSA-N 429.414 3.527 0 40 IHAB CC(=O)NCC(=O)N1CCCC[C@H]1c1nc(Nc2cccc(F)c2)cc(-c2cccnc2)n1 19021357 XFYFXYKRBDXRTF-NRFANRHFSA-N 448.502 3.611 0 40 IHAB COc1ccccc1O[C@H](C)C(=O)N1CCC[C@H]([C@@H]2C[C@H](C(F)F)n3nc(C)cc3N2)C1 19127384 KFZNIZSATYIFAU-VSZNYVQBSA-N 448.514 3.897 0 40 IHAB CCN1CCN(C(=O)Cc2ccc(F)cc2)C[C@@H](Cc2cccc(-c3ccncc3)c2)C1=O 19527576 LWFCJKOKPILWQD-XMMPIXPASA-N 445.538 3.980 0 40 IHAB CCN1CCN(C(=O)c2nccn2C)C[C@@H](Cc2ccccc2-c2ccc(C)cc2)C1=O 19527626 PNUVEWQZNQOHAA-JOCHJYFZSA-N 430.552 3.559 0 40 IHAB CCn1ccnc1CN1CC[C@@](Cc2ccc(-c3ccncc3)cc2)(C(=O)NC(C)C)C1 19578056 JIORYCGDWXWEFV-SANMLTNESA-N 431.584 3.924 0 40 IHAB Cc1ccc(C)c(OCCC(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)c1 19602687 ZOGVIXVFFWEUCT-UHFFFAOYSA-N 429.948 3.509 0 40 IHAB Cc1ccccc1-c1ccccc1CC1(C(N)=O)CCN(C(=O)Cc2ccccn2)CC1 19700098 IOPXKRNFXZJHOI-UHFFFAOYSA-N 427.548 3.936 0 40 IHAB CC[C@H](C)Oc1ccc(C(=O)NC(=S)Nc2ccc(CN3CCOCC3)cc2)cc1 19809775 JBAXUKHYMJRXQT-KRWDZBQOSA-N 427.570 3.823 0 40 IHAB Cc1nc(Nc2nc3ccccc3o2)ncc1C(=O)N1CCN(Cc2ccccc2)CC1 20478145 AIBZMHPQNNUALO-UHFFFAOYSA-N 428.496 3.628 0 40 IHAB CCCN(CC(=O)Nc1cccc(C(=O)NC2CC2)c1)Cc1nnc(-c2cccs2)o1 22060710 CLCLCXRQJSEKER-UHFFFAOYSA-N 439.541 3.541 0 40 IHAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 22329682 DMPYTWGYZHTNHH-FQEVSTJZSA-N 430.570 3.796 0 40 IHAB Cc1cc(C)cc(NC(=O)CSc2nnc3nc(O)c(-c4ccc(Cl)cc4)nn23)c1 22720385 IIJHCGVHZZGTJV-UHFFFAOYSA-N 440.916 3.893 0 40 IHAB O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 25982306 SSSXITJNUBKPGX-KRWDZBQOSA-N 446.878 3.828 0 40 IHAB CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)Nc1ccc(SC(F)F)cc1 30445620 NENWGYBDSYMANG-UHFFFAOYSA-N 425.482 3.534 0 40 IHAB COc1ccccc1CN(Cc1cccs1)C(=O)c1cnn(-c2ccc(O)nn2)c1C 30476485 MFDBMUBBZWQJAL-UHFFFAOYSA-N 435.509 3.589 0 40 IHAB CCOc1c(Cl)cc(C(=O)N2CSC[C@H]2C(=O)NCc2ccccc2)cc1OC 30583426 RLAWZGWJKFUQDA-KRWDZBQOSA-N 434.945 3.579 0 40 IHAB O=C(NC[C@H](c1ccccc1)N1CCOCC1)c1cc(-c2ccco2)nn1-c1ccccc1 30704269 HGEXBQRQHMLIPT-XMMPIXPASA-N 442.519 3.936 0 40 IHAB CCOc1ccc([C@H](C)NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)cc1OCC 30758209 DTMZXSIVZMZDPN-ZDUSSCGKSA-N 440.949 4.000 0 40 IHAB CC(C)Oc1cccc(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 30940460 RWKONZRIGIJRHL-IBGZPJMESA-N 438.933 3.683 0 40 IHAB COc1ccc(OC)c(S(=O)(=O)Nc2nn(Cc3ccccc3F)cc2Cl)c1 32610009 OXEOLQJGKQLOLO-UHFFFAOYSA-N 425.869 3.542 0 40 IHAB COc1cc(C(=O)N2CCN(Cc3csc4ccccc34)CC2)cc(OC)c1OC 32756975 YYSZCWWPWQCZLZ-UHFFFAOYSA-N 426.538 3.885 0 40 IHAB O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@@H](c2nnc(COc3ccccc3)o2)C1 35596947 NBRILHLUTVGMLK-OAHLLOKOSA-N 433.917 3.870 0 40 IHAB O=C(CSc1ccc(Br)cc1)N1CCC[C@@H](c2nnc3ccccn23)C1 36394077 XGFLFFXAMPWGSE-CQSZACIVSA-N 431.359 3.990 0 40 IHAB Cc1ccc(-c2cc(C(=O)N3CCN(Cc4cccnc4)CC3)c3c(C)nn(C)c3n2)cc1 36613349 FPFIGEKMUIILLQ-UHFFFAOYSA-N 440.551 3.605 0 40 IHAB O=C(Nc1ccccc1NS(=O)(=O)c1cccs1)c1cncc(Br)c1 37111698 UVZBJFOUEROHNU-UHFFFAOYSA-N 438.328 3.959 0 40 IHAB CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NCc1cccc(COCc2ccccc2)c1 40151836 XAXWPDQHQCJHEX-HSZRJFAPSA-N 444.597 3.614 0 40 IHAB Cc1ccc2nc(CSc3nnc(NC(=O)Nc4cccc(F)c4)s3)cc(=O)n2c1 41086276 VVKRXHKMLZGREH-UHFFFAOYSA-N 442.501 3.930 0 40 IHAB CCCSc1ncc(Br)c(C(=O)NCCC(=O)Nc2ccc(F)cc2)n1 46086708 GHGMMUSQHGBJHO-UHFFFAOYSA-N 441.326 3.639 0 40 IHAB Cc1cc(C)cc(Nc2nc(C)cc3nn(CC(=O)Nc4ccc(C)c(F)c4)c(=O)n23)c1 49410696 QGHQLOKXCBAOMU-UHFFFAOYSA-N 434.475 3.646 0 40 IHAB O=C(CNC(=O)c1cccc(F)c1)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 57270642 SLWZMVWZKDKVJS-UHFFFAOYSA-N 446.526 3.516 0 40 IHAB CN1CC(Oc2ccccc2)=NC(SCC(=O)Nc2cccc(Br)c2)=N1 57401729 ZCAKZRJSUQWPLN-UHFFFAOYSA-N 433.331 3.815 0 40 IHAB Cc1cccc(N(C)C(=O)Cn2c(=O)n(-c3ccc(C)cc3C)c(=O)c3sccc32)c1 57493120 WJMDPKPGMDUULW-UHFFFAOYSA-N 433.533 3.802 0 40 IHAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2ccc(COc3ccccc3)o2)CC1 58175379 BGSXEHHQLOQLIC-UHFFFAOYSA-N 447.535 3.872 0 40 IHAB CN1CCN(c2ccc(C(F)(F)F)cc2NC(=O)N2CCC[C@H](N3CCCC3)C2)CC1 58265889 FIJYKGIFZFGSAL-SFHVURJKSA-N 439.526 3.549 0 40 IHAB COc1cc(CN2COc3c(cc4c5c(c(=O)oc4c3C)CCC5)C2)cc(OC)c1OC 61997739 CKHOBTXLVDKNPN-UHFFFAOYSA-N 437.492 3.968 0 40 IHAB biogenic CC[C@@H](Sc1nnc2c(=O)n(-c3cccc(OC)c3)ccn12)C(=O)Nc1ccccc1C 64593722 VIXNPGLLJAWISR-LJQANCHMSA-N 449.536 3.707 0 40 IHAB Cc1nn(-c2ccccc2)cc1CCCNC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 65623220 FFRVDFYZJYEERU-RTBURBONSA-N 448.571 3.944 0 40 IHAB COc1ccc(C(=O)N[C@H](C(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)C(C)C)cc1 69564645 HTKPQOWSGVDGQU-DEOSSOPVSA-N 448.567 3.911 0 40 IHAB CCn1c(CN2CCO[C@@H](c3cc(C(=O)NC)c4ccccc4n3)C2)nc2ccccc21 72352725 KQRMCOIPPCGLAV-HSZRJFAPSA-N 429.524 3.538 0 40 IHAB O=C(Nc1nc2c(s1)CN(S(=O)(=O)c1cccc(Cl)c1)CC2)NC1CCCC1 77099819 DUCRYQBWUFDHBD-UHFFFAOYSA-N 440.978 3.608 0 40 IHAB COc1ccc(C(=O)NC(=S)Nc2cc(C(=O)O)ccc2Br)cc1Cl 85342883 JHJXCKSKSKFVEM-UHFFFAOYSA-N 443.706 3.936 0 40 IHAB COc1cccc(-n2cc(C(=O)NC[C@@H]3CCCN4CCCC[C@H]34)c3ccccc3c2=O)c1 85874814 OODMIDWEPSGBEZ-UQBPGWFLSA-N 445.563 3.994 0 40 IHAB biogenic COc1ccc(C(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@@H]2c2ccccc2)cc1 95480728 BEXWLJHQHHUACB-BJKOFHAPSA-N 428.488 3.605 0 40 IHAB CSc1ccc(S(=O)(=O)N[C@@H](c2cccc(C(F)(F)F)c2)c2nc[nH]n2)cc1 97162125 WYFRBDMQMCZMEK-HNNXBMFYSA-N 428.461 3.613 0 40 IHAB CC(=O)Nc1ccc(NC(=O)[C@H]2CC[C@H](CNS(=O)(=O)c3ccc(F)cc3)CC2)cc1 101554217 QDYCADGJPUDWHK-CALCHBBNSA-N 447.532 3.508 0 40 IHAB CC(=O)c1ccc(NC(=O)c2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H]([C@H]6C[C@H]56)[C@H]4C3=O)cc2)cc1 102530557 KAWRQJJFUFRVDG-UKIRVEGOSA-N 426.472 3.699 0 40 IHAB CCOc1ccc([C@H](C)NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)cc1OCC 216408055 SCJQLXIAXXOZGP-KRWDZBQOSA-N 446.569 3.959 0 40 IHAB COc1ccc(-c2noc(CN(C)C(=O)COc3cc(C)cc(C)c3C)n2)c(OC)c1 218970260 MAPHMOLYJBPWNY-UHFFFAOYSA-N 425.485 3.716 0 40 IHAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(OC)cc1 222483525 GETFYQYCTLBFRG-JPYJTQIMSA-N 426.557 3.968 0 40 IHAB CC[C@@H](C(=O)N1CCCc2ccccc21)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 222496091 NNEADFOGCDMQDG-KRWDZBQOSA-N 436.961 3.873 0 40 IHAB C[C@H](C(=O)NCCc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1 222928622 LLNSHAGBBYNNJZ-HXUWFJFHSA-N 434.511 3.981 0 40 IHAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2Cc2cccnc2)N1Cc1ccccn1 223529280 PPJQPYZLLKSKGO-GOTSBHOMSA-N 426.549 3.894 0 40 IHAB CCOC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)ccc1Cl 223832638 NILOCTCLXIDEJC-UHFFFAOYSA-N 432.281 3.758 0 40 IHAB Cc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1N1CCCCS1(=O)=O 225145425 AUISLDRALSXOEW-UHFFFAOYSA-N 426.460 3.874 0 40 IHAB O=C(CCc1ccc(Cl)c(Cl)c1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 225325112 CBLXUGNHRPSLLA-UHFFFAOYSA-N 443.352 3.586 0 40 IHAB Cc1ccc(CC(=O)N2CC[C@H](c3nc(C)c(CC(=O)N4CCCCC4)c(C)n3)C2)cc1 257290108 QBQAFZKLIASSTL-QFIPXVFZSA-N 434.584 3.515 0 40 IHAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC(n2cnc3ncccc3c2=O)CC1 390831850 VKJLFSGPKJTKBV-UHFFFAOYSA-N 449.898 3.886 0 40 IHAB COc1ccc(NC(=O)c2cc(I)c(OC)c(OC)c2)c(OC)c1 408559042 XCUVMJBSZQCRSU-UHFFFAOYSA-N 443.237 3.578 0 40 IHAB CCc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)cc1 409163461 RWNJZJVDVMIZPY-HNNXBMFYSA-N 434.414 3.803 0 40 IHAB Cc1ccc(-n2c(CCc3ccccc3)nnc2SCC(=O)NC[C@H]2CCCO2)cc1 409212062 PNKGKJKXWPJPLB-OAQYLSRUSA-N 436.581 3.748 0 40 IHAB Cc1ccc(CNC(=O)CCc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc1 409246764 AZXJIOORILAYJH-UHFFFAOYSA-N 436.577 3.765 0 40 IHAB Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(Br)cc2)S(C)(=O)=O)cc1C 409380850 IZIGMTJZXGIEPC-AWEZNQCLSA-N 425.348 3.859 0 40 IHAB Cc1noc([C@@H]2CCCN(C(=O)Nc3cccc(C(=O)N4CCc5ccccc54)c3)C2)n1 588255821 BROTWDYQFVMMAF-LJQANCHMSA-N 431.496 3.992 0 40 IHAB COc1ccnc(C(=O)N2CCC3(CCCCc4ccccc4OCCOC3=O)CC2)c1 643573385 CJIOHHRGDHURDZ-UHFFFAOYSA-N 438.524 3.661 0 40 IHAB CCC(=O)N1CCCN(C)CCCN(C(=O)c2cscn2)Cc2cc(F)c(F)cc21 643581377 OLIIHCDCAGFWNI-UHFFFAOYSA-N 436.528 3.532 0 40 IHAB O=C1COc2cc(S(=O)(=O)N3CCC[C@@H](c4cc5ccccc5[nH]4)C3)c(Cl)cc2N1 1115866078 KVWLERROAHFDDB-CQSZACIVSA-N 445.928 3.721 0 40 IHAB Cn1cncc1CN1CCC(N2C(=O)NCCc3ccccc3[C@H]2c2ccccc2)CC1 1615530306 UOJCTMOUNJTHTR-RUZDIDTESA-N 429.568 3.742 0 40 IHAB CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NC1(c2cc(Cl)cc(Br)c2)CC1 1615611201 WBJRBMUYYBRHSG-LBPRGKRZSA-N 441.675 3.911 0 40 IHAB Cn1cc(CCC(=O)N2C[C@@H](c3ccc(F)cc3)[C@@]3(CCCC(=O)N3)C2)c2ccccc21 1848352557 BGCDAZCESCZBTF-BKMJKUGQSA-N 433.527 3.915 0 40 IHAB Cc1nc(C)c(-c2ccc(=O)n(CC3CCN(c4ncnc5ccsc45)CC3)n2)s1 1888928857 MSBMAMJLZMNDDQ-UHFFFAOYSA-N 438.582 3.905 0 40 IHAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC[C@@](O)(COc2ccc(F)cc2)CC1 2037912762 ZINNBLKVGXJKSF-IBGZPJMESA-N 447.450 3.829 0 40 IHAB O=S(=O)(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc2ccccc2c1 2679561 HTCHXGROXFOVSO-UHFFFAOYSA-N 445.547 3.898 0 40 IHAB C[C@@H](C(=O)OCC(=O)Nc1ccc(Oc2ccccc2)cc1)N1C(=O)c2ccccc2C1=O 3228147 GWNUMCUOLSFEOH-INIZCTEOSA-N 444.443 3.645 0 40 IHAB C[C@@H](OC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)C(=O)N1CCc2ccccc21 3340991 VGEFDHUVUYIHSL-QGZVFWFLSA-N 439.471 3.520 0 40 IHAB CCc1cc2c(=O)n(Cc3ccco3)c(SCC(=O)Nc3cc(C)on3)nc2s1 3444658 WHAYEKIRRHJHCG-UHFFFAOYSA-N 430.511 3.689 0 40 IHAB COc1ccc(CCNC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1 3506023 SFDVUZBESFFGGV-UHFFFAOYSA-N 445.548 3.789 0 40 IHAB CCOC(=O)[C@H]1Sc2nc(O)sc2[C@H](c2ccc(Cl)cc2)[C@H]1C(=O)OCC 4124525 HFMIUQYLOXFQDO-BZPMIXESSA-N 427.931 3.851 0 40 IHAB COc1ccc([C@H]2CC(c3ccc(OC)c(OC)c3)=NN2C(=O)CCCC(=O)O)cc1 7059995 JLUFCFSGZOZCCC-LJQANCHMSA-N 426.469 3.645 0 40 IHAB CN(C)c1ccc(C(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3c2cc(C3CCCC3)nn2C)cc1 8636187 FIKTWGJSZYAWFB-WWNPGLIZSA-N 435.616 3.752 0 40 IHAB biogenic,in-vitro COC[C@H](C)n1c(C)cc(C(=O)CN2C(=O)N[C@]3(CCCCc4ccccc43)C2=O)c1C 8719104 YFOLKIGUROWNRM-GKVSMKOHSA-N 437.540 3.669 0 40 IHAB COC[C@H](C)n1c(C)cc(C(=O)CN2C(=O)N[C@@]3(CCCCc4ccccc43)C2=O)c1C 8719106 YFOLKIGUROWNRM-SSOJOUAXSA-N 437.540 3.669 0 40 IHAB Cc1ccc(N2C[C@@H](C(=O)Nc3nnc(SCc4cccnc4)s3)CC2=O)cc1 8824641 JYJTXGHWLJXEBU-HNNXBMFYSA-N 425.539 3.525 0 40 IHAB CC(C)c1nc2sc3c(=O)n(CC(=O)Nc4nccs4)cnc3c2c2c1CCC2 8993505 AKSMPQAXGKOIJE-UHFFFAOYSA-N 425.539 3.714 0 40 IHAB Cc1ccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(Cc3ccc(Cl)cc3)c(=O)n2C)cc1 9088762 RUUHOOXMFRAAPS-INIZCTEOSA-N 449.942 3.695 0 40 IHAB Cc1cc(OCC(=O)NCCCn2ccnc2)c2c(C)c(Cc3ccccc3)c(=O)oc2c1 9187661 BJDYCGFQEAKTFP-UHFFFAOYSA-N 445.519 3.782 0 40 IHAB COc1ccc(CNC(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccc(Cl)cc34)C2)cc1 9224869 LVAHQBAGRGVNNX-QGZVFWFLSA-N 425.916 3.537 0 40 IHAB CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccc(Cl)c(N2CCCC2=O)c1 9322965 JFVYZCBQZKMZHP-UHFFFAOYSA-N 427.932 3.576 0 40 IHAB CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCC(Cc3ccccc3)CC2)C1=O 9373152 CHICKAMFQKEIJB-SANMLTNESA-N 433.552 3.715 0 40 IHAB C[C@@]12CCC(=O)N1[C@@H](C(=O)OCC(=O)N1c3ccccc3Sc3ccccc31)CS2 9587970 XSDHSSHPFFKYRW-OPAMFIHVSA-N 440.546 3.813 0 40 IHAB Cc1ccc(-c2nnc(NC(=O)[C@@H]3CCCCN3S(=O)(=O)c3cccs3)o2)c(C)c1 9664126 IPELFBCAVPJATE-INIZCTEOSA-N 446.554 3.597 0 40 IHAB CC(C)CCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccc(Cl)cc3F)cc2C1=O 9670881 JTRXIHZYVHLVCK-UHFFFAOYSA-N 446.862 3.917 0 40 IHAB O=C(NCc1cccs1)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 9671395 DSEJFKFNIPPCKC-UHFFFAOYSA-N 444.534 3.640 0 40 IHAB CCc1ccc(-c2csc(NC(=O)[C@@H](C)OC(=O)[C@@H](C)NC(=O)c3ccco3)n2)cc1 9704352 XXUQZVSNXYMHFE-ZIAGYGMSSA-N 441.509 3.654 0 40 IHAB O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)N1CCN(c2ccc(F)cc2)CC1 9716361 GIQMDKLXYPSETG-UHFFFAOYSA-N 437.544 3.725 0 40 IHAB COCCn1c(SCC(=O)Nc2cc(Cl)ccc2-n2cncn2)nc2ccccc21 9968761 RDEKWMYUBOAAHN-UHFFFAOYSA-N 442.932 3.648 0 40 IHAB C[C@H](Sc1nnc(-c2cccnc2)n1Cc1ccco1)C(=O)Nc1ccc2c(c1)OCO2 10026795 NDPIPUYWTSPFDO-AWEZNQCLSA-N 449.492 3.829 0 40 IHAB Cc1c(C)n2c3c(=O)n(Cc4ccc(Cl)cc4)c(=O)n(C)c3nc2n1C1CCCC1 10103043 PWZUGJPUFUBNMR-UHFFFAOYSA-N 425.920 3.583 0 40 IHAB O=C([C@@H]1COc2ccccc2O1)N(CCCn1ccnc1)c1nc2c(F)cccc2s1 10337725 WPWNYRFQTZGBMM-SFHVURJKSA-N 438.484 3.895 0 40 IHAB CCn1c(SCC(=O)N2CCC(Cc3ccccc3)CC2)nc2c(c1=O)S[C@H](C)C2 11026296 QPWGUFLOLLMMHL-MRXNPFEDSA-N 443.638 3.873 0 40 IHAB CCN(CC(=O)Nc1ccccc1OC)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 11402518 IUHUSZNLQRUOEH-UHFFFAOYSA-N 436.487 3.610 0 40 IHAB CCCn1c(SCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)nc2ccccc2c1=O 12567569 DFLJKOZNNMUMBZ-OAHLLOKOSA-N 436.537 3.663 0 40 IHAB NC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 12596330 ZZEUZEIVCOQDSC-OAHLLOKOSA-N 433.261 3.756 0 40 IHAB O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)NCc1cccc(C(F)(F)F)c1 12762687 GCBKNVKSXRPLMF-UHFFFAOYSA-N 440.487 3.739 0 40 IHAB O=C(Cn1ncc(=O)c2ccccc21)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 12790753 POIGXGITUKHOKM-UHFFFAOYSA-N 449.514 3.625 0 40 IHAB CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccccc2F)CC1 12852217 XRBOHEJCAXBAOG-MSOLQXFVSA-N 447.576 3.673 0 40 IHAB O=C(Nc1ccccc1Cl)[C@H]1[C@H]2C=C[C@]3(CN(CCc4c[nH]c5ccccc45)C(=O)[C@H]13)O2 12891565 JKCDUQKQKPKOSA-HXKBJWFLSA-N 447.922 3.785 0 40 IHAB CCOC(=O)c1ccc(S(=O)(=O)Oc2cccc3cccnc23)c(Br)c1 13007940 BKCFMAGKMDBZLU-UHFFFAOYSA-N 436.283 3.942 0 40 IHAB CCc1noc(C)c1C(=O)Oc1ccc(N(C)S(=O)(=O)c2ccc(OC)cc2)cc1 13016298 IBVOOJLMBMBDJW-UHFFFAOYSA-N 430.482 3.598 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1C 13058262 JWBPCGGXRCJVDX-UHFFFAOYSA-N 433.883 3.882 0 40 IHAB CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cccc(F)c3)cc2Cl)CC1 14271651 UGUMGOSMZFIWMH-UHFFFAOYSA-N 448.951 3.665 0 40 IHAB Cc1c(NC(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)c(=O)n(-c2ccccc2)n1C 14701018 HLOLSDDCYWWSHN-UHFFFAOYSA-N 448.910 3.600 0 40 IHAB COc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(C)n(CC(F)(F)F)c2C)cc1OC 16406433 XDSNENLHEZBCRK-CYBMUJFWSA-N 428.407 3.868 0 40 IHAB CCOC(=O)CN1CCc2cc(OC)c(OC)cc2[C@@H]1c1cc(Cl)ccc1NC(C)=O 16682805 CPANQBZONBDINE-HSZRJFAPSA-N 446.931 3.826 0 40 IHAB COc1ccccc1N1CCN(c2nc(Nc3ccccc3C)c3cnn(C)c3n2)CC1 17136013 JGMVQOUPLUJUFC-UHFFFAOYSA-N 429.528 3.751 0 40 IHAB C[C@@H](NC(=O)Cn1c(-c2cscn2)nc2ccccc21)c1ccc(-n2cncn2)cc1 18159217 YJCFLGWSPFWKNU-OAHLLOKOSA-N 429.509 3.618 0 40 IHAB O=C(c1ccc(F)cc1)N1CCCC[C@@H]1c1nc(O)c2c(n1)CN(Cc1ccncc1)CC2 19332036 NCRMBMVHLKCOAT-JOCHJYFZSA-N 447.514 3.642 0 40 IHAB CC(C)NC(=O)[C@@H]1CN(Cc2ccc(Cl)c(F)c2)C[C@H]1c1ccnc(N2CCCC2)n1 19449987 FBEJJNANAKUKOW-QZTJIDSGSA-N 445.970 3.610 0 40 IHAB Cc1nc(C)c(C(=O)N(C[C@@H]2CCCO2)c2nc3c(s2)CCc2c-3cnn2C)s1 19559953 RKSLQWLLZXYPTJ-ZDUSSCGKSA-N 429.571 3.541 0 40 IHAB Cc1cc(C(F)(F)F)c2c(C3CCN(C(=O)COC[C@@H]4CCCCO4)CC3)noc2n1 19569026 NJXOBOMCPFQHQS-HNNXBMFYSA-N 441.450 3.842 0 40 IHAB CNC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CCCN(C(=O)c2cccc(OC)c2)C1 19591198 FYNVCJSNKOVMIP-HHHXNRCGSA-N 443.547 3.968 0 40 IHAB COc1ccc(CCC(=O)N2CCC[C@@H](c3ccc(C(=O)N4CCCC4)cn3)C2)cc1C 19705901 QFCQYPDCWYFRKC-JOCHJYFZSA-N 435.568 3.973 0 40 IHAB CC(=O)N(C)Cc1cc(N(C)C)nc(C2CCN(Cc3ccc(OC(C)C)cc3)CC2)n1 19752055 KCYNFLQICNFUDJ-UHFFFAOYSA-N 439.604 3.688 0 40 IHAB CCCc1cc(C(=O)N2CCC[C@H](c3ncc(C(=O)NCc4ccccc4)c(C)n3)C2)no1 19763514 XZNSGWIEBFVSOR-IBGZPJMESA-N 447.539 3.675 0 40 IHAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(OC)c(C)c1 19929727 JQOUCTPNYDVNMR-UHFFFAOYSA-N 430.448 3.672 0 40 IHAB COC(=O)[C@H](C)Sc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3 20057745 KDNZPNKEXMKGCL-LBPRGKRZSA-N 444.582 3.609 0 40 IHAB CC(C)N(C(=O)[C@@H](C)OC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1)C(C)C 23277676 DMHLXOOJOUICLK-CQSZACIVSA-N 446.997 3.608 0 40 IHAB COc1ccc(OC[C@@H](O)CSc2nc3sccc3c(=O)n2-c2ccccc2)cc1 24089978 GODQYGZAUTZNCG-MRXNPFEDSA-N 440.546 3.988 0 40 IHAB Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)Nc1ccccc1S(=O)(=O)NC1CC1 24775244 CZBPTSKLNXITCK-UHFFFAOYSA-N 436.599 3.842 0 40 IHAB Cc1cc(=O)oc2cc(OCC(=O)NC3(c4ccc5c(c4)OCCO5)CCCC3)ccc12 24955598 ITERMMFTQKBNGW-UHFFFAOYSA-N 435.476 3.837 0 40 IHAB COc1cccc(-n2c(SCC(=O)Nc3ccccc3OC)nnc2-n2cccc2)c1 28534796 DGYOQDRFSJPEBM-UHFFFAOYSA-N 435.509 3.806 0 40 IHAB CC1(C)NC(=O)N(CCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2Cl)C1=O 32722047 ZAUFDZQRPUKHNI-UHFFFAOYSA-N 448.306 3.883 0 40 IHAB COc1cc2c(cc1OC)CN(Cc1cc(=O)c(OCc3ccccc3F)co1)CC2 36359730 PQRNPSILRPVDSV-UHFFFAOYSA-N 425.456 3.933 0 40 IHAB CCCc1nnsc1C(=O)N1CCN(Cc2nc(-c3ccc(F)cc3)cs2)CC1 36704703 WENOMAHHGPRTJF-UHFFFAOYSA-N 431.562 3.711 0 40 IHAB COc1ccc(C2=NN(C(=O)CCCC(=O)O)[C@@H](c3ccc4nccnc4c3)C2)cc1OC 39563652 CXMSQGMHCDJEEX-HXUWFJFHSA-N 448.479 3.580 0 40 IHAB CC(C)c1cc2c(=O)[nH]c(CSCC(=O)Nc3ccc4c(c3)OCCO4)nc2s1 40288555 LDZIFZGTZJFHAV-UHFFFAOYSA-N 431.539 3.751 0 40 IHAB Cc1cc(C(=O)CSc2nc(-c3ccccc3)c[nH]2)c(C)n1[C@@H]1CCS(=O)(=O)C1 48252750 KESTYJQLJDMDOO-QGZVFWFLSA-N 429.567 3.830 0 40 IHAB Cc1ccc(Nc2nc(N)nc(CN(C)CC(=O)Nc3ccc(Cl)c(Cl)c3)n2)cc1 58161304 DCEOMZYBRAGCMT-UHFFFAOYSA-N 446.342 3.883 0 40 IHAB CC(C)(C)OC(=O)N1CCC(N(C(=O)CN2C(=O)CSc3ccccc32)C2CC2)CC1 58190747 IBVGQXYCBYCQQD-UHFFFAOYSA-N 445.585 3.516 0 40 IHAB COC(=O)CCN(Cc1ccccc1)Cn1nc(-c2ccc3c(c2)OCO3)oc1=S 58298327 VODCSRLVLJXSLF-UHFFFAOYSA-N 427.482 3.624 0 40 IHAB COc1cc(C(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)cc(Cl)c1OCC(N)=O 58393585 PAPOWGCITXXOOX-UHFFFAOYSA-N 448.306 3.546 0 40 IHAB COc1ccccc1N1CCN(c2c(C(=O)N3CCCC3)cnc3ccc(F)cc23)CC1 67287981 MACIPDAGLUAQPA-UHFFFAOYSA-N 434.515 3.945 0 40 IHAB COc1ccc(CNC(=O)N2CC(Oc3nc4c(Cl)cccc4s3)C2)cc1OC 77101045 YZNCPQXJBADHOM-UHFFFAOYSA-N 433.917 3.940 0 40 IHAB Cc1cc(C)nc(SCC(=O)NC2(c3cccc(Br)c3)CCOCC2)n1 84114629 XOPXWNPFZJPAHR-UHFFFAOYSA-N 436.375 3.770 0 40 IHAB CCc1ccc(C(=O)NC[C@H](NC(=O)c2ccc(CC)o2)c2ccc3c(c2)OCCO3)o1 95456321 KAAMYWRXWUWVKB-SFHVURJKSA-N 438.480 3.670 0 40 IHAB CC(C)(C)OC(=O)N1CC[C@@]2(CCN(C(=O)c3cc(Br)ccc3O)C2)C1 95943414 PHWMCRHVSSYRAZ-LJQANCHMSA-N 425.323 3.628 0 40 IHAB O=C(NCCn1nc(-c2ccncc2)cc1C1CC1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 96121671 MVTLQLSBLZIQLO-GOSISDBHSA-N 449.942 3.645 0 40 IHAB CCCN(CCOC)C(=O)[C@@H]1C[C@]2(CO1)c1ccccc1CN2Cc1cccc(OC)c1 96143963 CSBJNEYONGOKBK-AHWVRZQESA-N 438.568 3.580 0 40 IHAB CN(C)C1CCN(C(=O)c2cc3c(c4ccccc4n3CC3CC3)n2-c2ncccn2)CC1 96146543 NMESFHGFUIBFFB-UHFFFAOYSA-N 442.567 3.951 0 40 IHAB COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1ccc2nn(-c3ccccc3)nc2c1 96230756 PVUZVFFMMRGXRK-FQEVSTJZSA-N 444.447 3.678 0 40 IHAB Cc1ccc(N(CC(=O)Nc2cccc(C(=O)O)c2)S(=O)(=O)c2ccccc2)cc1C 96564814 ISAIQOAMLHNKLC-UHFFFAOYSA-N 438.505 3.836 0 40 IHAB COc1cc(CN2CCCC[C@H]2c2cc3nc(C)c(C)c(O)n3n2)cc(OC)c1OC 100146629 KXZNSWJQDRQRTQ-SFHVURJKSA-N 426.517 3.805 0 40 IHAB CC1(C)[C@]2(C)CC[C@]1(C(=O)N1CCC(c3cc(C(F)F)n4ncnc4n3)CC1)CC2=O 100204181 SWVQCKZZQXZQNN-FGZHOGPDSA-N 431.487 3.553 0 40 IHAB Cc1ccc(C)c(C(=O)COC(=O)c2ccccc2N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 101154372 VIFFUYWQLKQEFA-ZCVTWQBDSA-N 429.472 3.655 0 40 IHAB COc1ccc(-c2nc(NC(=O)CCN3C(=O)[C@H]4CCCC[C@H]4C3=O)sc2C)cc1 103029071 VMJILGNOZBRJAU-CALCHBBNSA-N 427.526 3.631 0 40 IHAB C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)[C@H]1C[C@H]2CC[C@H]1C2 105876192 UDSFJVDYHYPINI-QMKZIPLGSA-N 430.614 3.517 0 40 IHAB CC[C@@H](C(=O)Nc1ccc(F)c(F)c1)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 220750481 QGTJXHIRLSGEDQ-INIZCTEOSA-N 432.876 3.810 0 40 IHAB CC[C@@H](C(=O)NCCSc1ccccc1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O 222501452 XBEULDQGCSVGDM-SFHVURJKSA-N 444.981 3.932 0 40 IHAB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(Cc2cccnc2)c1C 223041791 OKHAYQWUMZGEPZ-XZOQPEGZSA-N 435.597 3.952 0 40 IHAB CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1cccc(C)c1C 223080818 CNXYAMFCPOPJBZ-QGZVFWFLSA-N 447.373 3.998 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)N(C)Cc2nc(-c3cccc(Br)c3)no2)c1 223779021 WHVIJLHKQKZLJH-UHFFFAOYSA-N 436.331 3.937 0 40 IHAB Cc1ccc(C(=O)NCc2ccncc2)cc1N(C)S(=O)(=O)c1ccc(Cl)cc1 224317686 HCRZWGHGXRSWSP-UHFFFAOYSA-N 429.929 3.799 0 40 IHAB CSc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1NC(=O)C(C)C 224784527 XNWXFGDNRTVADX-UHFFFAOYSA-N 433.599 3.514 0 40 IHAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1cc(OC)cc(OC)c1 225039722 BPXVAMDPLWDQHK-RBUKOAKNSA-N 442.556 3.723 0 40 IHAB C[C@H](CNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1)Cc1cccc2ccccc12 225091211 DOMLSQRUOUZDAB-KRWDZBQOSA-N 436.533 3.650 0 40 IHAB CC(C)n1c(=O)sc2cc(NC(=O)c3ccc(NS(C)(=O)=O)cc3Cl)ccc21 225162875 MCXOEMJATBYCKR-UHFFFAOYSA-N 439.946 3.921 0 40 IHAB NC(=O)[C@]1(c2ccccn2)CCCN(C(=O)C2(c3ccc(Cl)cc3)CCCCC2)C1 257224267 FBAKQZALIBUFSZ-XMMPIXPASA-N 425.960 3.983 0 40 IHAB Cc1cccc([C@]2(C(=O)N(C)C)CCCN2Cc2cccc(OCc3ccccn3)c2)n1 257255152 KGINLANADBFQFQ-SANMLTNESA-N 430.552 3.944 0 40 IHAB CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)c1cccc(-c2cncnc2)n1 257314433 UWYALHYMXDPQBZ-DNBVQBCISA-N 449.555 3.931 0 40 IHAB COc1ccccc1CCC(=O)N1CCN(C)C(=O)[C@H]1Cc1ccc(-c2ccncc2)cc1 257322035 WEIHSGOFEYPJHA-XMMPIXPASA-N 443.547 3.602 0 40 IHAB O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)Nc1cccc(F)c1 408557734 OOOJNPPUWKDPPM-UHFFFAOYSA-N 426.469 3.595 0 40 IHAB CCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(Cl)cc2Cl)c(C)c1 408621028 KTUSDCWLDLGLBS-UHFFFAOYSA-N 445.368 3.685 0 40 IHAB COCCNC(=O)c1cc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1C 408622855 NTJZNCRAYXYTPY-UHFFFAOYSA-N 440.521 3.964 0 40 IHAB CCn1c(SCC(=O)Nc2ccccc2F)nnc1[C@@H](C)NC(=O)c1cccc(C)c1 409130141 LWBKOWHJGSTTIC-OAHLLOKOSA-N 441.532 3.967 0 40 IHAB COc1cc(C(=S)N2C[C@H](C)O[C@H](C)C2)ccc1OCC(=O)Nc1ccccc1C 409226150 PFTSKPWMTATVOJ-CALCHBBNSA-N 428.554 3.806 0 40 IHAB CCCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccccc2Br)cc1 409261597 DZJMNWUSKPEXBO-UHFFFAOYSA-N 425.348 3.709 0 40 IHAB Cc1ccccc1N(CC(=O)NCc1ccncc1)S(=O)(=O)c1ccc(Cl)cc1 409410516 XUABVDVCWGSCTB-UHFFFAOYSA-N 429.929 3.555 0 40 IHAB CCC[C@@H](C)c1cc(NS(=O)(=O)c2ccc(Br)cc2CC(=O)OC)n[nH]1 555123573 NQVBFNQMBGXVBF-LLVKDONJSA-N 444.351 3.592 0 40 IHAB Cc1ccc(C(=O)N2CCC[C@@H](C(=O)NCc3ccc4c(c3)nc(C3CC3)n4C)C2)cc1 559278131 VJNDBKYRQVBVGR-OAQYLSRUSA-N 430.552 3.928 0 40 IHAB O=C(Nc1cccc2ccncc12)[C@@H]1[C@H]2[C@H]1[C@H]1C=C[C@H]2[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 579771185 ZINPFWWQWKTLPY-FCCWPKEOSA-N 449.510 3.653 0 40 IHAB COc1ccc(F)cc1-c1ccc(C[C@@]2(C(=O)N[C@H]3CCCN(C)C3)CCCO2)cc1 643550650 LNHYYOXQPYKJOR-SQJMNOBHSA-N 426.532 3.803 0 40 IHAB O=C(CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)Nc1ccccc1F 1103918 OQYJHEPSFJHXQC-UHFFFAOYSA-N 426.513 3.918 0 40 IHAB Cc1cccc2cc(CN(Cc3nnnn3C(C)(C)C)C3CCCCC3)c3nnnn3c12 1367504 RGFRZLHNMYIQPC-UHFFFAOYSA-N 433.564 3.662 0 40 IHAB C[C@@](O)(CS(=O)(=O)Cc1ccccc1Cl)C(=O)Nc1cccc(C(F)(F)F)c1 1388640 VQWPRXZMQLMWTL-QGZVFWFLSA-N 435.851 3.663 0 40 IHAB CCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](Cc3ccc(Cl)cc3)C(=O)O)ccc12 2115928 KHEYFSVLVOIKRL-SFHVURJKSA-N 443.883 3.508 0 40 IHAB biogenic CN1C(=O)[C@H](CC(=O)Nc2ccc(Cl)cc2)N(CCc2ccc(Cl)cc2)C1=S 2239130 PWRUUTYEWWIMCO-KRWDZBQOSA-N 436.364 3.992 0 40 IHAB O=C(COC(=O)CCCN1C(=O)c2ccccc2C1=O)Nc1ccc(SC(F)F)cc1 3313333 ZEUHMPWCOPHGKX-UHFFFAOYSA-N 448.447 3.559 0 40 IHAB C[C@H]1CN(C(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(F)cc2F)C[C@H](C)O1 3469730 DNBDNDGABQLVKI-GJZGRUSLSA-N 444.507 3.940 0 40 IHAB Cc1cc(-n2c(C)cc(C(=O)CSc3nnnn3-c3ccc(Cl)cc3)c2C)no1 3493407 QPPVPRWFXCWFPI-UHFFFAOYSA-N 428.905 3.995 0 40 IHAB aggregator CC(C)(C)NC(=O)[C@@H](c1ccccn1)N(Cc1ccc(Cl)cc1)C(=O)c1csnn1 5944275 YTTQWAYXRHBASW-GOSISDBHSA-N 443.960 3.885 0 40 IHAB Cc1cccc2cc(CN(Cc3cccs3)C(=S)NCCCN(C)C)c(=O)[nH]c12 6443547 WSAZIMWMAAITGO-UHFFFAOYSA-N 428.627 3.726 0 40 IHAB Cc1ccccc1C(=O)NC(=S)Nc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 8442689 FZKUOMRMOTVWDP-UHFFFAOYSA-N 439.562 3.947 0 40 IHAB aggregator O=C(Nc1cccc(F)c1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 8661539 KJIMBULJZUJOJV-LLVKDONJSA-N 447.351 3.689 0 40 IHAB Cc1cccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(CCCc3ccccc3)c(=O)n2C)c1 9192849 UTIWPZCIGRHKPU-IBGZPJMESA-N 443.551 3.626 0 40 IHAB CCc1nnc(NC(=O)CSc2nnc(COc3c(C)cccc3C)n2CC)s1 9263842 MXBRIFHAFGWSEX-UHFFFAOYSA-N 432.575 3.639 0 40 IHAB CCn1c(SCC(=O)c2ccc(OC)c(OC)c2)nnc1-c1ccc2c(c1)OCO2 9290002 JDBSLQWKFUMWKZ-UHFFFAOYSA-N 427.482 3.686 0 40 IHAB COC[C@H](C)n1c(-c2ccco2)cs/c1=N\c1cc(S(=O)(=O)N(C)C)ccc1C 9403146 CGCOPCQJKPKWHT-ANNUQZOISA-N 435.571 3.808 0 40 IHAB Cc1c(C)n(C2CCCCC2)c2ncn3nc(CN4C(=O)c5ccccc5C4=O)nc3c12 9420688 SLESNEFQIGPFIR-UHFFFAOYSA-N 428.496 3.997 0 40 IHAB COc1ccc2c(CCNC(=O)CCN3C(=O)S/C(=C/c4ccccc4)C3=O)c[nH]c2c1 9429741 WDIOHJNERWEHGX-FYJGNVAPSA-N 449.532 3.962 0 40 IHAB Cc1cccc(NC(=O)NC(=O)CN2C(=O)N[C@@](C)(c3cccc4ccccc34)C2=O)c1C 9478157 QDAQQSDFUMRPBA-VWLOTQADSA-N 444.491 3.572 0 40 IHAB COc1ccc(OC)c(NC(=O)COC(=O)c2ccccc2CSC2=NCCS2)c1 9618253 UOFUFKDMLYODQY-UHFFFAOYSA-N 446.550 3.835 0 40 IHAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 9620684 FJPJQDDWVKRVJW-JOCHJYFZSA-N 439.471 3.650 0 40 IHAB CCS(=O)(=O)c1ccc(-c2cccc(NC(=O)CCc3ccc(OC)cc3)c2)nn1 9626859 CNDLPLBVQUKAKM-UHFFFAOYSA-N 425.510 3.517 0 40 IHAB O=C(CSc1nc2ccccc2[nH]1)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 9631271 YDKQSHJICUKSPW-UHFFFAOYSA-N 444.582 3.858 0 40 IHAB C[C@@H](Sc1nnnn1-c1ccc(OC(F)(F)F)cc1)C(=O)NCC1CCCCC1 9669363 ARCNWADAMPKQHQ-GFCCVEGCSA-N 429.468 3.738 0 40 IHAB COc1cc2c(cc1OC)CN(C(=O)[C@H]1CCCN(C(=O)c3ccc(Cl)cc3)C1)CC2 9671052 CRAPRAXQYSTINE-SFHVURJKSA-N 442.943 3.794 0 40 IHAB CN(CC(=O)Nc1cc(Cl)ccc1N1CCCC1)S(=O)(=O)c1ccc(Cl)cc1 9768142 OZKJVFNRUNYNQO-UHFFFAOYSA-N 442.368 3.853 0 40 IHAB O=C(CSc1nnc(NC[C@@H]2CCCO2)s1)N1CCC(Cc2ccccc2)CC1 9864088 LZXATRFIXVPVDY-SFHVURJKSA-N 432.615 3.702 0 40 IHAB O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)NC(=O)NC1CCCC1 9988296 QNLXDVDPPOVZEY-UHFFFAOYSA-N 439.516 3.934 0 40 IHAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 10228642 ZHPHUFCYGXRIDZ-INIZCTEOSA-N 439.523 3.890 0 40 IHAB Cc1ccc(N2C(=O)N(CC(=O)N3CCC(C)CC3)c3ccccc3S2(=O)=O)cc1C 10273269 LLHLLXJLJWCUGA-UHFFFAOYSA-N 441.553 3.697 0 40 IHAB COc1ccc(-c2c(C)nn3c(=O)cc(CSc4nc(C)cc(C)n4)[nH]c23)cc1OC 10338956 HRSCFXCICZDDQH-UHFFFAOYSA-N 437.525 3.714 0 40 IHAB O=C(c1ccccc1Cl)N1CCC2(CC1)NC(=O)N(Cc1ccc(Cl)cc1)C2=O 11694085 LYGZJLBUHINVRA-UHFFFAOYSA-N 432.307 3.720 0 40 IHAB CCOC(=O)c1ccc(-n2ccc3c(nnc4c(-c5ccccc5)c(C)nn43)c2=O)cc1 12407484 YGLKDPFIHNGELF-UHFFFAOYSA-N 425.448 3.581 0 40 IHAB CC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)Nc2ccc(OC)c(Br)c2)c1 12605185 OMOSWKUWFOFDBJ-GFCCVEGCSA-N 441.347 3.787 0 40 IHAB c1ccc(CNc2ncc(-c3ccnc(N4CCOCC4)n3)c(-c3cccs3)n2)nc1 12666859 VGNAMEJLIOSARP-UHFFFAOYSA-N 431.525 3.506 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2C(=O)NC2CC2)ccc1Cl 12688414 IEKWPTQGPBWPIO-UHFFFAOYSA-N 449.960 3.515 0 40 IHAB CCCc1cc(=O)[nH]c(SCC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)n1 12746279 DLSXKGYGWGPXOR-AWEZNQCLSA-N 428.583 3.830 0 40 IHAB CC(=O)c1cccc(NC(=O)[C@@H](Sc2nnnn2C[C@H]2CCCO2)c2ccccc2)c1 12751140 RARQPVVAFYQHTC-UXHICEINSA-N 437.525 3.527 0 40 IHAB O=C(/N=c1\sccn1Cc1ccccc1)c1ccccc1S[C@@H]1CCS(=O)(=O)C1 12791362 ASPIKKIRQUOKQX-KTVWJZFRSA-N 444.603 3.618 0 40 IHAB O=C(NC1CCCC1)[C@H](c1cccnc1)N(Cc1ccccc1F)C(=O)c1csnn1 12871976 UEPXGDDDJVRPDC-FQEVSTJZSA-N 439.516 3.515 0 40 IHAB CCN(CC)CCNC(=O)c1ccc(NC(=O)C2=Cc3cc(Cl)ccc3OC2)cc1 12886685 OAXILHGUSCMKOL-UHFFFAOYSA-N 427.932 3.826 0 40 IHAB CCn1c(SCC(=O)NC[C@@H]2CCCO2)nc2sc(-c3ccccc3)c(C)c2c1=O 12999077 AHOKTZMVVQSGJP-INIZCTEOSA-N 443.594 3.841 0 40 IHAB CCN(CC)S(=O)(=O)c1cccc(C(=O)Oc2ccc3c4c(c(=O)oc3c2)CCC4)c1 13014736 JGJCGRVOXSIWKY-UHFFFAOYSA-N 441.505 3.531 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CSc1ccccc1 13037856 IYUOFHPIGNVQTA-UHFFFAOYSA-N 434.583 3.991 0 40 IHAB CCN(CC(=O)Nc1cc(Cl)ccc1Cl)Cc1cc(=O)n2c(C)csc2n1 13040575 BPHCIQLAZFDZAZ-UHFFFAOYSA-N 425.341 3.832 0 40 IHAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2ccc(NC(=O)CC(C)C)cc2)C1=O 13062957 CECXQWJHKDZSMU-DEOSSOPVSA-N 439.487 3.850 0 40 IHAB COCCNC(=O)[C@H](c1ccncc1)N(C(=O)c1sc(C)nc1C)c1cccc(C)c1 13084421 YHBPDYMVIKWZFW-FQEVSTJZSA-N 438.553 3.614 0 40 IHAB Cc1cccc(Oc2ccc(NC(=O)CN(C)C3=NS(=O)(=O)c4ccccc43)cc2)c1 13115124 SQNTXTHCQZAYGH-UHFFFAOYSA-N 435.505 3.807 0 40 IHAB CCC(C)(C)n1nnnc1[C@@H](c1ccc(OC)cc1)N1CCN(c2ccccc2F)CC1 13504134 JIVJTQNEBQJLRP-JOCHJYFZSA-N 438.551 3.878 0 40 IHAB Cc1ccccc1Cn1c(=O)n(CCC(=O)Nc2ccc(F)cc2)c(=O)c2sccc21 13593633 GSBVUROTUVWDGM-UHFFFAOYSA-N 437.496 3.749 0 40 IHAB O=C(COc1ccc(Cl)cc1Cl)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 13749353 BDHBDQLPTJCKKN-CYBMUJFWSA-N 434.366 3.650 0 40 IHAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CCN1C(=O)c3ccccc3C1=O)CC2 14670757 SSSPCNAXORGBNZ-RUZDIDTESA-N 442.515 3.948 0 40 IHAB Cn1ccnc1[C@H](NC(=O)C[C@@H]1Sc2ccccc2NC1=O)c1ccc(Cl)cc1 16262077 UJYYAFFCXXBHLV-PKOBYXMFSA-N 426.929 3.782 0 40 IHAB CCN1CCN(c2ccc(NC(=S)NC(=O)c3cccc(C)c3OC)cc2Cl)CC1 16681589 KDTLBPIFXKXCDR-UHFFFAOYSA-N 447.004 3.926 0 40 IHAB Cc1cc(-c2cnc3cc(C)nn3c2[C@@H]2CCCN(CC(=O)N3CCCC[C@H]3C)C2)on1 19124139 NVPJGCQMTSASER-RTBURBONSA-N 436.560 3.582 0 40 IHAB Cc1ccccc1N1CCN(Cc2ccc(C(=O)N[C@H](C)c3cccs3)c(=O)[nH]2)CC1 19228511 VZQCRASOUPRWDP-GOSISDBHSA-N 436.581 3.558 0 40 IHAB Cn1ncc(-c2ccnc(N3CCCC3)n2)c1[C@H]1CCCN1C(=O)Cc1ccccc1F 19288610 VZMSWVJIZUMYDM-OAQYLSRUSA-N 434.519 3.523 0 40 IHAB CC1(C)Cc2cc(CN3CCC[C@@H](C4=NS(=O)(=O)c5ccccc5N4)C3)ccc2O1 19461738 KUHIRBBXKHEWHR-QGZVFWFLSA-N 425.554 3.825 0 40 IHAB CCC(=O)N1CCCc2cc([C@@H](O)CN3CCN(c4ccc(F)cc4F)CC3)ccc21 19498891 UZVQEKFBVPYWAJ-QHCPKHFHSA-N 429.511 3.510 0 40 IHAB CCc1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)CCCn4cncn4)C3)noc2n1 19521949 ACUVBAPAXCKVPL-CYBMUJFWSA-N 436.438 3.582 0 40 IHAB COc1ccccc1C1=NO[C@H](CC2(C(=O)NCCc3ccc(F)cc3)CCOCC2)C1 19569366 QWCTZGNHRMXRAY-FQEVSTJZSA-N 440.515 3.873 0 40 IHAB C[C@@H](N)C(=O)Oc1ccc2c(=O)c(-c3ccc4c(c3)OCCO4)c(C(F)(F)F)oc2c1 19703152 WRYJRJIDYVFXLV-SNVBAGLBSA-N 435.354 3.503 0 40 IHAB biogenic CCN(C(=O)c1ccnn1C)[C@@H]1CCO[C@H](c2ccc(C(=O)Nc3ncccc3C)cc2)C1 19712720 MSOZLBSTUCUDTL-IRLDBZIGSA-N 447.539 3.758 0 40 IHAB O=C(NCc1ccccc1Cl)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 19860968 GRYFNNZJCNUCKW-KRWDZBQOSA-N 441.380 3.852 0 40 IHAB CCCCCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1OC 20009874 GDYPENSDTNDVDJ-SFHVURJKSA-N 438.977 3.545 0 40 IHAB COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)Nc1c(C)cc(C)cc1C)=C2C 20063972 HFCZDDRBWYJXQO-UHFFFAOYSA-N 430.526 3.778 0 40 IHAB CCCOc1cccc(C(=O)NC(=S)Nc2nc3ccc(C(=O)OC)cc3s2)c1 20412461 VGXIOFDWSPFEFV-UHFFFAOYSA-N 429.523 3.999 0 40 IHAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1 20450794 HCWUAQVFWRSLED-IBGZPJMESA-N 444.488 3.521 0 40 IHAB CCOc1ccc(N(CC(=O)N(C)C2CCCC2)S(=O)(=O)c2ccc(F)cc2)cc1 20491077 JIZUVHATJYKRAI-UHFFFAOYSA-N 434.533 3.821 0 40 IHAB COc1ccccc1CN(C)C(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1C 20491688 PLKDADFCIFHLAC-UHFFFAOYSA-N 430.570 3.841 0 40 IHAB COc1ccc(C(=O)c2cn(CC(=O)Nc3ccccc3F)c3nc(C)ccc3c2=O)cc1 20579674 KWLWEIGZZQYFIG-UHFFFAOYSA-N 445.450 3.722 0 40 IHAB Cc1cc2nc(CSc3ccccc3NC(=O)c3ccc4c(c3)OCO4)cc(=O)n2o1 20583246 AEUMKLQDEFTGMY-UHFFFAOYSA-N 435.461 3.869 0 40 IHAB Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1cccc(-n2cnnc2)n1 21721092 KQCUFLVOZYQOJT-UHFFFAOYSA-N 430.859 3.610 0 40 IHAB Cc1cc(=O)c(C(=O)NC[C@H](c2ccccc2)N(C)C)nn1-c1ccccc1C(F)(F)F 21869863 IQZTYAZLXXRTIA-LJQANCHMSA-N 444.457 3.592 0 40 IHAB CCOC(=O)C1CCN([C@@H](c2ccc(F)cc2)c2sc3nc(CC)nn3c2O)CC1 22853492 LVXDVMFZADXNKC-KRWDZBQOSA-N 432.521 3.562 0 40 IHAB Cc1cc(C)c(NC(=O)C(=O)NC[C@@H](c2cccnc2)N2CCc3ccccc3C2)c(C)c1 22906803 QSKWPXWCHFGQAI-DEOSSOPVSA-N 442.563 3.861 0 40 IHAB Cc1ccc(N2C(=O)C[C@@H](N3CCN(C45CC6CC(CC(C6)C4)C5)CC3)C2=O)cc1Cl 22920243 SQMJMSGUQNOIQV-VBSWXYJSSA-N 442.003 3.867 0 40 IHAB O=S(=O)(Nc1ccccc1I)c1cccc(OC(F)(F)F)c1 22957251 POSICUILUJPSTA-UHFFFAOYSA-N 443.184 3.991 0 40 IHAB Cc1cc(CN2CCN(C(=O)c3cn(Cc4ccccc4)nc3-c3cccs3)CC2)on1 23750276 WKXCBGGBSKFGPD-UHFFFAOYSA-N 447.564 3.914 0 40 IHAB COc1cc(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)c(OC)cc1Cl 24771967 CJOFQZLXNWBEEM-UHFFFAOYSA-N 425.190 3.830 0 40 IHAB Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)Cc1cc(=O)n2ccsc2n1 32543369 TVHRPZCDCFAUQD-UHFFFAOYSA-N 427.961 3.903 0 40 IHAB Cc1ccccc1NC(=O)C[C@]12CSc3[nH]c(=O)sc3[C@H]1c1ccccc1OC2=O 32594566 HQSKUCXEUMWHEF-VGSWGCGISA-N 438.530 3.917 0 40 IHAB CC(=O)c1cccc(N2C(SCc3ccccc3Cl)=N[C@@H]3CS(=O)(=O)C[C@@H]32)c1 32640488 DLHHQDLIZGNHOJ-MOPGFXCFSA-N 434.970 3.818 0 40 IHAB C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl)CS2 32810822 DZCVXGGNTWYKIO-FZKQIMNGSA-N 425.341 3.631 0 40 IHAB CSc1nc(C)c(CCC(=O)N2CCc3cc(-c4csc(C)n4)ccc32)c(=O)[nH]1 32882261 LJVQYAFILMMZNO-UHFFFAOYSA-N 426.567 3.754 0 40 IHAB COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(c2ncnc3cc(Cl)ccc23)CC1 32916265 ITWPEEKWUAHXRB-LJQANCHMSA-N 431.323 3.973 0 40 IHAB COc1ccccc1NC(=O)Cc1noc(COC(=O)c2cc(C)n(C(C)C)c2C)n1 32950481 ACWJTZPOYRDLCQ-UHFFFAOYSA-N 426.473 3.616 0 40 IHAB COc1cc(OC)c(NC(=O)CSCc2cc(=O)n3cc(C)ccc3n2)cc1Cl 33026780 FPMHKTURZONSCD-UHFFFAOYSA-N 433.917 3.545 0 40 IHAB C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCCC(=O)Nc1cccc2ncccc12 40073589 UKNABZCPZKTMNK-VWLOTQADSA-N 428.492 3.953 0 40 IHAB COc1cc(OC)c([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3ncnn32)cc1OC 40485006 SUWFFGFCXMLQJL-OAQYLSRUSA-N 435.484 3.540 0 40 IHAB Cc1cc(C(=O)NC2CCN(C(=O)CCCOc3ccc(C(C)(C)C)cc3)CC2)no1 48303399 DXAQWLYWQTZXJP-UHFFFAOYSA-N 427.545 3.861 0 40 IHAB CCc1ccccc1NC(=O)Cn1nc2c(Sc3ccc(C)cc3C)nccn2c1=O 49009022 KUZKNHUPJUJLSY-UHFFFAOYSA-N 433.537 3.860 0 40 IHAB CC(C)(C)C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cccs3)cc2)CC1 57316597 OVRANVYTABXLRU-UHFFFAOYSA-N 430.599 3.570 0 40 IHAB C[C@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1ccc2c(c1)CCC(=O)N2 58406774 VPQDTUYINJQDOS-XJKSGUPXSA-N 445.441 3.820 0 40 IHAB O=C(COC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)c1ccc(Br)cc1 59371555 YCKDNFFCYCSRNB-GOSISDBHSA-N 446.297 3.976 0 40 IHAB O=C(Cc1csc(NC(=O)c2ncccn2)n1)Nc1ccc2c(c1)Cc1ccccc1-2 61969169 JVCKIDGZHBEDGN-UHFFFAOYSA-N 427.489 3.938 0 40 IHAB CC(=O)c1cccc(NC(=O)Cn2cc(-c3ccc(Cl)cc3)c(N3CCOCC3)n2)c1 62006947 INSHVIXTPGEBTM-UHFFFAOYSA-N 438.915 3.881 0 40 IHAB O=C(Nc1nc2ccc(Cl)cc2s1)C1CCN(c2cc(-n3ccnc3)ncn2)CC1 70638031 ZORRZALGZQEWMD-UHFFFAOYSA-N 439.932 3.781 0 40 IHAB Cn1nc(C(=O)N2CCC[C@@H]2c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)ccc1=O 72358148 CJNOYXUJICUNKI-HXUWFJFHSA-N 442.441 3.762 0 40 IHAB CCNC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)c2cccnc2N)C1 72390578 BQHIIWYMCKIMHV-AREMUKBSSA-N 428.536 3.542 0 40 IHAB Cc1ccccc1-c1noc(Cn2cccc2C(=O)N2CCN(c3ccccc3F)CC2)n1 90591901 OHKYEGKGABIRLZ-UHFFFAOYSA-N 445.498 3.996 0 40 IHAB Cc1c(C(=O)O)cnn1-c1ccc(C(=O)N2CCc3c(Br)cccc3C2)cc1 95989934 LMSPVFOIMTXKEB-UHFFFAOYSA-N 440.297 3.840 0 40 IHAB COc1cc(/C=C/C(=O)N2CCC(Oc3ncccc3Cl)CC2)cc(OC)c1OC 96024793 HVHVHIIBQPHRHA-VOTSOKGWSA-N 432.904 3.844 0 40 IHAB O=c1c2ccccc2c(CNS(=O)(=O)c2ccc(F)c(Cl)c2)nn1C1CCCC1 96096335 XMPAGZDXMYRDSQ-UHFFFAOYSA-N 435.908 3.783 0 40 IHAB COc1cccc(CNC(=O)Cn2cccc2-c2nc(-c3ccc(OC)c(F)c3)no2)c1 98211465 WHDHCQCJLZRBCD-UHFFFAOYSA-N 436.443 3.678 0 40 IHAB Cc1ncc(-c2ccccn2)c([C@H]2CC[C@H](CNC(=O)CCCN3CCCC3=O)CC2)n1 100148256 SQTANOVIGJTRAU-BGYRXZFFSA-N 435.572 3.640 0 40 IHAB COc1cccc(Cn2c(=O)[nH]c3ccccc3/c2=N\C(=O)Nc2c(F)cccc2F)c1 101113925 LBSFQMLIUGVURK-SGWCAAJKSA-N 436.418 3.798 0 40 IHAB CCOc1ccccc1CNC(=O)C1=C(c2ccccc2)c2ccccc2N(C)S1(=O)=O 219182704 ASNJHUQFARUYSY-UHFFFAOYSA-N 448.544 3.941 0 40 IHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CCCN(c1ccccc1C)S(C)(=O)=O 222555143 JMPSAXJSWWXDGG-SFHVURJKSA-N 445.585 3.708 0 40 IHAB COc1ccccc1N(CCCC(=O)NCCCc1ccc(Cl)cc1)S(C)(=O)=O 222583681 JZTGTYIUQPDPND-UHFFFAOYSA-N 438.977 3.644 0 40 IHAB O=C(Nc1nnc(S(=O)(=O)NC2CCCCCCC2)s1)c1ccc(Cl)cc1 222970133 OSBAOFMJCJFBHE-UHFFFAOYSA-N 428.967 3.835 0 40 IHAB Cc1ccc([C@@H](NC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)c2ccccc2)cc1 223283576 MKSCQHDCPAODCM-DEOSSOPVSA-N 438.549 3.675 0 40 IHAB O=C(CCc1ccc2c(c1)OCO2)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 224567340 KOKDRHWQYDGMNR-UHFFFAOYSA-N 442.468 3.927 0 40 IHAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1Cl 224962307 XAEVTFARTPPNOR-UHFFFAOYSA-N 448.928 3.617 0 40 IHAB O=S(=O)(Nc1ccc(OCCOCCO)cc1)c1cc(Cl)c(Cl)cc1Cl 226855924 HSOFFLQZZMOZEO-UHFFFAOYSA-N 440.732 3.835 0 40 IHAB Cc1cccc(Nc2cc(C)nc([C@@H]3CN(C(=O)CCc4c(C)n[nH]c4C)CCO3)c2)n1 257235517 GYEHLPNXAZOOPY-QFIPXVFZSA-N 434.544 3.710 0 40 IHAB CCc1nc(C)c(CN2CCN(CC)C(=O)[C@H](Cc3ccccc3-c3cccnc3)C2)[nH]1 257285410 PGZBTSIOFBCNEK-JOCHJYFZSA-N 431.584 3.866 0 40 IHAB CN1C(=O)CCCC[C@]12CN(C(=O)c1cccc(Cn3ccnc3)c1)C[C@H]2c1ccccc1 257295035 QWRBPEWQLWXPCX-RPLLCQBOSA-N 442.563 3.942 0 40 IHAB CC(=O)NCCn1nc([C@@H]2CCCN(Cc3cccc(OC(C)C)c3)C2)c2cccnc21 257317676 VKSPBWNOZLGDLX-OAQYLSRUSA-N 435.572 3.734 0 40 IHAB CN(Cc1ccccn1)C(=O)c1nc([C@H]2CCCN2C(=O)c2ccccc2)n2ccccc12 306132925 LWNDKWUNIPUVOT-JOCHJYFZSA-N 439.519 3.979 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl 408608906 QIIAYNCBWMSQIM-VIFPVBQESA-N 437.732 3.961 0 40 IHAB Cc1cc(NC(=O)COC(=O)c2ccccc2C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)no1 408665995 NAUDPJYONUHYNP-WRWLIDTKSA-N 442.512 4.396 0 40 IHAB O=C(Nc1ccc(C(=O)N2CCC[C@@]3(CCN3c3ccc4nccnc4c3)C2)cc1)C1CC1 585101720 BLXFOOBHCGBQAE-AREMUKBSSA-N 441.535 3.863 0 40 IHAB C[C@]12C[C@@H](Cc3ccccc3)N(C(=O)CCn3ncc4ccccc43)[C@H]1CCCC(=O)N2 585261728 CVGGPROPEAYRPQ-JJTGBXKASA-N 430.552 3.697 0 40 IHAB Cc1ccccc1N1CCC(O)(CN2CCC(O)(COc3cccc(Cl)c3)CC2)CC1 585283602 SFTSFRROKPOLOP-UHFFFAOYSA-N 445.003 3.886 0 40 IHAB CCc1ccc(NC(=O)NCCCc2cccc(C(F)(F)F)c2)cc1S(N)(=O)=O 605342948 GOFAIWOMBJIHPT-UHFFFAOYSA-N 429.464 3.670 0 40 IHAB CC(C)[C@H]1COc2ccccc2C(=O)NCCCCC2(CCN(CC3CC3)CC2)C(=O)N1 643567291 XZUMGXYUTIRYPU-JOCHJYFZSA-N 441.616 3.612 0 40 IHAB CCOc1ccc2c(c1)[C@@H](NC(=O)N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1)CCO2 681336677 RSRSZJGCKTZTNH-QRWLVFNGSA-N 432.542 3.715 0 40 IHAB COc1ccc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCOCC3)o2)cc1 635370 FYXSALDRRJXOOJ-UHFFFAOYSA-N 434.901 3.673 0 40 IHAB CCOC(=O)CCCNC(=O)COC(=O)c1cc(-c2cccs2)nc2ccccc12 2635658 CZGUDIOCUUYKID-UHFFFAOYSA-N 426.494 3.580 0 40 IHAB O=C(COC(=O)COc1cc(Cl)c(Cl)cc1Cl)NCc1ccc2c(c1)OCO2 3275678 QNYDDNQGBNHGQX-UHFFFAOYSA-N 446.670 3.614 0 40 IHAB NC(=O)c1c(NC(=O)CSc2nnc(C3CC3)n2-c2ccccc2)sc2c1CCC2 3395636 MFMSJIVFNLOXAF-UHFFFAOYSA-N 439.566 3.525 0 40 IHAB CCCCn1c(SCC(=O)Nc2ccc(C)cc2)nc2cc(S(N)(=O)=O)ccc21 6338614 UKSRGAMRVPPIGT-UHFFFAOYSA-N 432.571 3.523 0 40 IHAB COc1ccccc1N1CCN(C(=O)CN2CCC[C@H]2c2nc3ccccc3s2)CC1 8892907 MYWQIDPHRDGPOF-FQEVSTJZSA-N 436.581 3.791 0 40 IHAB COc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)Nc2nc(SCc3ccccc3)nn21 9418875 IPYLVJVRDHZUSH-HNNXBMFYSA-N 443.916 3.754 0 40 IHAB CCCc1cc(N2CCN(c3nc(C)cc(C)n3)CC2)n2nc3nc(C)cc(C)c3c2n1 9435603 VTLBLEMGJPCLQQ-UHFFFAOYSA-N 430.560 3.580 0 40 IHAB COc1ccc(CCNC(=O)c2cn(C3CC3)c3c(OC)c(F)c(F)cc3c2=O)cc1 9485946 QGCFLMVRIUIBBZ-UHFFFAOYSA-N 428.435 3.604 0 40 IHAB Cc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1S(=O)(=O)N1CCCC1 9489331 DQFOKHYKMPCRIO-UHFFFAOYSA-N 426.582 3.874 0 40 IHAB COc1ccc(S(=O)(=O)[C@@H](CNC(=O)COc2cccc(C)c2)c2cccs2)cc1 9569329 WKZYNKIJNHVOOV-NRFANRHFSA-N 445.562 3.775 0 40 IHAB Cc1ccc2sc(N(CCN(C)C)C(=O)CCS(=O)(=O)c3ccccc3)nc2c1C 9604117 JMXRUABROVDXBF-UHFFFAOYSA-N 445.610 3.672 0 40 IHAB Cn1c(=O)n(Cc2c(F)cccc2Cl)c(=O)c2c1nc1oc(-c3ccc(F)cc3)cn12 9789719 VZBCGAHKUVITLT-UHFFFAOYSA-N 442.809 3.588 0 40 IHAB COc1cc(C(=O)NCc2cccc(NC(=O)C3CC3)c2)cc(OC)c1Br 10773115 AYHTUCNJXWFMDV-UHFFFAOYSA-N 433.302 3.745 0 40 IHAB COc1cc(C(=O)Nc2ccc(Br)cc2Cl)cc(Cl)c1OCC(N)=O 10817701 IBTORKKCBGYSSF-UHFFFAOYSA-N 448.100 3.881 0 40 IHAB CC[C@H](NC(=O)COC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)c1ccc(Br)cc1 11132871 UQQHUTPMDSWYPT-ONYGOOLBSA-N 436.346 3.955 0 40 IHAB CC(C)c1ccccc1NC(=O)[C@@H](C)N1CCC(NS(=O)(=O)c2cccs2)CC1 11719651 QOVODGZVULDNIG-MRXNPFEDSA-N 435.615 3.641 0 40 IHAB C[C@H]1Cc2nc(SCC(=O)NC3CCCCC3)n(Cc3ccccc3)c(=O)c2S1 11726595 YERLXMLWKMAWHL-HNNXBMFYSA-N 429.611 3.869 0 40 IHAB Cc1ccc(CN2CCC(O)(Cn3cnc4sc5c(c4c3=O)CC[C@H](C)C5)CC2)o1 12188501 JGNJWGMXSOMVEP-HNNXBMFYSA-N 427.570 3.511 0 40 IHAB COc1ccc(NC(=O)CSc2nnc([C@H]3CC(=O)N(c4ccc(C)cc4)C3)o2)cc1 12414596 MRCZKPIPABRUFN-HNNXBMFYSA-N 438.509 3.638 0 40 IHAB COc1ccc([C@H](CNC(=O)c2nn(-c3ccccc3)c(C)cc2=O)N2CCCCC2)cc1 12592115 GUDCWNAWBCGJLG-QHCPKHFHSA-N 446.551 3.507 0 40 IHAB Cc1cc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)ccc1Br 12639007 FCFUKXCEVMMYSA-SFHVURJKSA-N 437.359 3.939 0 40 IHAB COc1cc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)cc(OC)c1 12767050 DUTDFGZBGYBJCL-UHFFFAOYSA-N 438.933 3.784 0 40 IHAB O=C(NC1CCN(C(=O)Nc2ccccc2)CC1)c1ccc(I)cc1 12787288 UNZWADZYPWWLIO-UHFFFAOYSA-N 449.292 3.718 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1ccc(Cl)cc1Cl 12798239 XQUCQIBHTJJWEJ-UHFFFAOYSA-N 443.352 3.504 0 40 IHAB COc1ccccc1Cn1c(=O)c2ccccc2n2c(=S)n(CN3CCC[C@H](C)C3)nc12 13063531 JQZUYQMCCZRBLU-KRWDZBQOSA-N 449.580 3.926 0 40 IHAB Cc1cccc2cc(CN(Cc3nnnn3Cc3ccco3)C3CCCCC3)c(=O)[nH]c12 13065585 PNNFEIOTKNWEAN-UHFFFAOYSA-N 432.528 3.799 0 40 IHAB COc1ccc(C)cc1[C@@H]1c2c(C)nn(C)c2NC(=O)[C@H]1NC(=O)c1ccc(Cl)cc1 13097898 LWHBMZZXDVVHRN-UXHICEINSA-N 438.915 3.582 0 40 IHAB CN(C[C@H]1COc2ccccc2O1)C(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1 13164640 UWQICYWVOSCHTG-SFHVURJKSA-N 436.537 3.535 0 40 IHAB COC(=O)c1c(Nc2nc3ccccc3nc2N2CCN(C)CC2)sc2c1CCCC2 13591355 YMGZRJMKDZRZRL-UHFFFAOYSA-N 437.569 3.852 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)c(C)c1 13648944 HWRWCIOVHJVEQA-AWEZNQCLSA-N 438.933 3.618 0 40 IHAB COc1ccc(S(=O)(=O)N[C@@H](C)CCc2ccccc2)cc1C(=O)N1CCCCC1 13856262 UPGIDZCNBPDUIR-SFHVURJKSA-N 430.570 3.621 0 40 IHAB C[C@H](CNC(=O)COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1 14129732 VZNMNGFTRDHTGP-MRXNPFEDSA-N 449.473 3.780 0 40 IHAB CC(C)NS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccccc2Br)cc1 14252740 BRNANZZIYNKVSE-ZDUSSCGKSA-N 425.348 3.627 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 14908946 HCWLXBYKNJNCQM-UHFFFAOYSA-N 430.526 3.599 0 40 IHAB CC(C)(C)N(Cc1ccccc1)C(=O)CN1C(=O)N[C@@](C)(c2ccccc2Cl)C1=O 16046474 DOYKKJHFEMKLFK-QHCPKHFHSA-N 427.932 3.934 0 40 IHAB Fc1cc2c(c(CSc3nnnn3C[C@@H]3CCCO3)c1)O[C@H](c1ccccc1)OC2 16411173 PBYGPPFSJVVACV-AZUAARDMSA-N 428.489 3.891 0 40 IHAB CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OC 16681848 PBVUCHIWUHFWSF-UHFFFAOYSA-N 440.521 3.825 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2nc(CCC(=O)Nc3ccc4c(c3)OCO4)cs2)cc1 16848619 YIAUXJWJMYYGIZ-UHFFFAOYSA-N 445.522 3.552 0 40 IHAB C[C@H](CCc1ccccc1)NC(=O)Cc1cc(=O)[nH]c(SCc2ccc(F)cc2)n1 16851346 FESXVNTWMQNZQT-MRXNPFEDSA-N 425.529 3.881 0 40 IHAB CCc1cccc(C)c1NC(=O)COC(=O)c1nn(-c2ccc(Cl)cc2)c(C)cc1=O 18031288 NFDKDDVKTAZLEC-UHFFFAOYSA-N 439.899 3.861 0 40 IHAB Cc1ccc(-c2ccccc2C[C@H]2CN(C(=O)C[C@@H]3CC(C)(C)OC3=O)CCNC2=O)cc1 19212846 XEGYMTFNUUSXSW-YADHBBJMSA-N 448.563 3.511 0 40 IHAB O=C(c1ccc(C2CCN(C(=O)c3ccc4nsnc4c3)CC2)nc1)N1CCCCC1 19705759 KREUIDBPFCZPRS-UHFFFAOYSA-N 435.553 3.732 0 40 IHAB CCN(CC)CC(=O)N1CC[C@@H](c2cc(C(=O)Nc3nccs3)c3ccccc3n2)C1 19756925 PUJUYAFJKCBYBG-MRXNPFEDSA-N 437.569 3.601 0 40 IHAB O=C(CN1C(=O)c2ccc3c4c(ccc(c24)C1=O)CC3)OCC(=O)c1ccc(Cl)cc1 20076024 HCSNJQZSVGMZMP-UHFFFAOYSA-N 433.847 3.614 0 40 IHAB CCC[C@]1(C(=O)OCC)N[C@@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 20150649 ASKYGVKMRJNGRU-YGWSKSRPSA-N 434.536 3.856 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H](C)Oc1ccccc1C 20453672 BEXCTTQQRPDFPS-QGZVFWFLSA-N 432.542 3.584 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(OC)c2)Cc2ccccc2)cc1 21025699 IFYATLPVXQTYNU-UHFFFAOYSA-N 440.521 3.533 0 40 IHAB CCOc1ccc(NC(=O)CSc2nccnc2N2CCN(c3ccccc3)CC2)cc1 21657132 NBHKNDULRAZLQT-UHFFFAOYSA-N 449.580 3.933 0 40 IHAB Cc1nn(-c2cccc(C(F)(F)F)c2)c2sc(C(=O)N3CCC(C(N)=O)CC3)cc12 21873947 WESXFIABHKKZAB-UHFFFAOYSA-N 436.459 3.752 0 40 IHAB C[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)CC2)C1 22531054 VYMZIMHDYNVOSG-AWEZNQCLSA-N 433.401 3.794 0 40 IHAB O=C(COc1ccccc1)N(CCN1CCOCC1)c1nc2ccc(Cl)cc2s1 22998501 FGSOWBNVBXGYHR-UHFFFAOYSA-N 431.945 3.694 0 40 IHAB O=C(CSc1nc(-c2ccccc2Br)n[nH]1)N[C@@H]1CCOc2ccccc21 27317148 KXKYLUBSADHALF-OAHLLOKOSA-N 445.342 3.966 0 40 IHAB O=C(Cn1nc(C(F)(F)F)c(Br)c1C1CC1)NCCc1ccc(O)cc1 27937000 RCXJCANAVAOXIA-UHFFFAOYSA-N 432.240 3.606 0 40 IHAB CC[C@H](Oc1ccc(F)cc1)C(=O)N(Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 28228515 LQBQJARPEVBOQR-PXNSSMCTSA-N 439.936 3.852 0 40 IHAB CN(Cc1ccccc1N1CCOCC1)C(=O)/C=C/c1cc(Cl)c2c(c1)OCCO2 31507466 XBUNMIYMJGHMIX-VOTSOKGWSA-N 428.916 3.620 0 40 IHAB O=C(Nc1ccc(N2CCc3sccc3C2)nc1)[C@H]1CCCN1C(=O)c1ccccc1 32760751 JTZYXHBMBJXZPF-HXUWFJFHSA-N 432.549 3.949 0 40 IHAB COC[C@@H](C)n1c(C)cc(C(=O)CN2C(=O)N[C@](C)(c3ccccc3Cl)C2=O)c1C 32859550 RCQQBJFIHTXGEI-JLCFBVMHSA-N 431.920 3.616 0 40 IHAB CC(=O)N1CCC(N2CCC[C@H]2c2nc(-c3ccc(OC4CCCCC4)nc3)no2)CC1 35425481 LNXOLVRIOMJXNH-NRFANRHFSA-N 439.560 3.991 0 40 IHAB biogenic,in-vitro COc1ccc(-c2c(C(=O)O)sc3c2NC(=O)C[C@]32C(=O)Nc3cc(F)ccc32)cc1 36365133 YCMVDTIQCLQRMH-JOCHJYFZSA-N 438.436 3.841 0 40 IHAB CCn1ncc(-c2noc3nc(C4CC4)cc(C(=O)N[C@H](C)Cn4ccc(C)n4)c23)c1C 36619410 BYVNTQCWVVNWNO-CQSZACIVSA-N 433.516 3.615 0 40 IHAB Cc1ccc(N2CCN(C(=O)C3CCN(Cc4nc(-c5ccccc5)no4)CC3)CC2)cc1 40926836 DQFYNNXTLXJOST-UHFFFAOYSA-N 445.567 3.606 0 40 IHAB O=C(NCCN1CCN(C(=O)NC(c2ccccc2)c2ccccc2)CC1)c1ccsc1 42383329 FAHGFHNFFWSFLS-UHFFFAOYSA-N 448.592 3.595 0 40 IHAB O=C(Oc1ccccc1)N1CCC(CNS(=O)(=O)c2ccc(F)c(Cl)c2)CC1 43957201 KNDXCOQJBBTBOI-UHFFFAOYSA-N 426.897 3.668 0 40 IHAB CCc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)Nc1cccc(F)c1 46027679 ATHGVWOSUGIYCC-UHFFFAOYSA-N 441.528 3.828 0 40 IHAB O=C(CSc1nc2ccccc2c(=O)n1CCc1cccs1)NCc1ccco1 57473376 GFYOUWJHTISRDO-UHFFFAOYSA-N 425.535 3.702 0 40 IHAB O=C(COc1ccccc1C(F)(F)F)NCc1cn2cc(Br)ccc2n1 58402382 FYCHKDVUIXYPRS-UHFFFAOYSA-N 428.208 3.811 0 40 IHAB CSc1nnc(CCCNC(=O)CCc2nc(-c3ccccc3)no2)n1C1CCCC1 69950913 VKVXXWHNQNRWIS-UHFFFAOYSA-N 440.573 3.847 0 40 IHAB COc1ccc([C@@H]2CCCN2C(=O)c2cccc(N3NC(=O)[C@H]4CC=CC[C@H]4C3=O)c2)cc1 70010733 JBQKNBOPOYOXCD-ZRBLBEILSA-N 445.519 3.633 0 40 IHAB COc1cccc2cc(-c3ccc(OCC(=O)N[C@@H]4CCOC(C)(C)C4)cc3)c(=O)oc12 70666577 KVWLMVRJIDCWEN-GOSISDBHSA-N 437.492 3.921 0 40 IHAB biogenic C[C@@H](CNc1nc(-c2ccccc2)nc2nc(-c3ccccc3)oc12)N1CCN(C)CC1 72238678 AGLXLXLVOJAHKA-SFHVURJKSA-N 428.540 4.000 0 40 IHAB Cn1ccnc1[C@H](O)c1cccc(F)c1N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 72340585 KMJCUMMQRTUYFL-OAQYLSRUSA-N 448.464 3.982 0 40 IHAB CCN1CC[C@@]2(CN(CC(C)C)CC23CCN(C(=O)Nc2ccc(C)cc2)CC3)C1=O 96062608 MWJZDWZYASSTCR-RUZDIDTESA-N 426.605 3.819 0 40 IHAB CCN1C[C@@H](C(=O)NC[C@H]2CC[C@H](c3nc(C(C)C)ncc3-c3ccncc3)CC2)CC1=O 100739109 XYJAUYBIAARXDD-TYPHKJRUSA-N 449.599 3.920 0 40 IHAB CCN(c1ccc(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1)S(=O)(=O)CC 222405087 RUHFLKMZOJQZSC-UHFFFAOYSA-N 445.585 3.588 0 40 IHAB CS(=O)(=O)N(CC(=O)NCc1ccc2ccccc2c1)c1ccccc1Br 222761728 LJLADQITZMVPJB-UHFFFAOYSA-N 447.354 3.685 0 40 IHAB CSc1nnc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c2)s1 223258875 WAUOHARVUANMDB-UHFFFAOYSA-N 434.568 3.930 0 40 IHAB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(C)cn1 223714323 LYBGIMLBKDDUIV-YADHBBJMSA-N 435.553 3.501 0 40 IHAB Cc1ccc(OCCNC(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)c(C)c1 223875954 DTTUXYSKMLMSRS-UHFFFAOYSA-N 445.368 3.571 0 40 IHAB CCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)COc1cc(OC)cc(OC)c1 224299077 QYKWLAPLTAQPJG-NRFANRHFSA-N 448.947 3.680 0 40 IHAB CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H]3CC(C)(C)Oc4ccc(OC)cc43)ccc21 224758594 MWSYIXWEJXSQCJ-IBGZPJMESA-N 444.553 3.575 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)cc1C(=O)NC(C)C 224876219 KYFKJBWHUULZEX-UHFFFAOYSA-N 432.420 3.533 0 40 IHAB COc1ccc(NC(=O)Cc2ccc(Cl)cc2F)cc1S(=O)(=O)N1CCCCC1 224988630 SDRNYCPPXQYAPB-UHFFFAOYSA-N 440.924 3.844 0 40 IHAB COc1ncc([C@]2(O)CCC[C@H]3CN(Cc4ccc(C(F)(F)F)cc4)C[C@H]32)c(OC)n1 247894776 UOMILIRNOLQPER-RRMPHLOHSA-N 437.462 3.632 0 40 IHAB CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CCN(Cc4ccc(S(C)(=O)=O)cc4)[C@@H]3C[C@H]21 257206225 BCLSZXBVHQLOHZ-PRTQVNTJSA-N 427.566 3.982 0 40 IHAB Cc1nc2sccn2c1CN1CCC[C@H](c2n[nH]cc2C(=O)N2CCCCCC2)C1 257273043 NEYXJXUGRDGLBH-KRWDZBQOSA-N 426.590 3.823 0 40 IHAB Cc1nc([C@@H]2CCN(C(=O)CC3CCCC3)C2)nc2c1CC(=O)N2Cc1ccccc1F 257289961 QAXPLWNFNMARQN-LJQANCHMSA-N 436.531 3.910 0 40 IHAB O=C(Cn1ncc2ccccc2c1=O)N1CCC[C@H](c2ncc(Cc3cccc(F)c3)o2)C1 257318610 VORXPWWXXDKIMO-IBGZPJMESA-N 446.482 3.521 0 40 IHAB COc1ccc(-c2nc([C@H]3CC[C@H](CNC(=O)[C@@H]4CC=CCC4)CC3)[nH]c2C(N)=O)cc1 257323552 WKVQOWPBEOVDOR-BHIYHBOVSA-N 436.556 3.931 0 40 IHAB O=C1CCCN1CCOc1ccc(C(=O)N2C[C@H]3C[C@H](Oc4ccccc4)C[C@H]3C2)cc1 257329734 XLHPJKPTKMJPIS-RMNGQBEXSA-N 434.536 3.617 0 40 IHAB Cc1cc(C)cc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)c2)c1 408660246 NFFPPAUTCXANDK-NHCUHLMSSA-N 434.492 3.779 0 40 IHAB CN(Cc1ccc(OCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1)S(C)(=O)=O 408705293 BNZOBDFNJHXWPW-UHFFFAOYSA-N 440.521 3.888 0 40 IHAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccccc2SC)C1 408713529 GGTKWCRLDIXCMI-CQSZACIVSA-N 438.546 3.596 0 40 IHAB Cc1cc(C)c(-c2c3c(nc4c2c(=O)n(C)c(=O)n4C)-c2ccccc2[C@@H]3O)c(C)c1C 408986782 PFANNQQJDSAYIS-QHCPKHFHSA-N 427.504 3.595 0 40 IHAB Cc1ccc(N(CC(=O)Nc2ccc(Br)c(Cl)c2)S(C)(=O)=O)cc1 409301066 CSOYPPWSSGSWFX-UHFFFAOYSA-N 431.739 3.816 0 40 IHAB OC[C@H]1[C@H](O)C[C@@H](NCc2cccc(Cl)c2)[C@@H]1Cc1ccnc(-c2ccccc2F)n1 604382409 RDSHXPNGFVOPFW-OHUMZHCVSA-N 441.934 3.626 0 40 IHAB biogenic,in-vitro O=C1NCCc2ccc(NC(=O)[C@H]3CCCN(C(=O)c4ccc(Cl)c(Cl)c4)C3)cc21 604968204 BXKPTFTZIJKXSG-HNNXBMFYSA-N 446.334 3.770 0 40 IHAB Cn1cc(-c2cncc(C(=O)Nc3ccc(I)c(Cl)c3)c2)cn1 1616349885 LISWSVKXLSFJGW-UHFFFAOYSA-N 438.656 3.992 0 40 IHAB COC(=O)[C@@H](C)Sc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC(C)(C)OC3 1247057 CMXFDWPJNKTELY-GFCCVEGCSA-N 430.551 3.952 0 40 IHAB Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc4oc5c(c4c3)C(=O)CC(C)(C)C5)ccc21 1320753 IGLLAZJVCDVDPX-UHFFFAOYSA-N 440.477 3.834 0 40 IHAB COc1ccc(CCN(Cc2nc3ccccc3c(=O)[nH]2)C(=O)c2cccc(F)c2)cc1 1359082 YDBOPTXUOWKLME-UHFFFAOYSA-N 431.467 3.956 0 40 IHAB C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CNC4CCN(Cc5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C 2102961 NILKEYZRQOIGIQ-IQMXBARESA-N 438.612 3.526 0 40 IHAB biogenic COc1cc(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2ccco2)cc(OC)c1OC 2726562 VNLXRXGIXYCGPH-SFHVURJKSA-N 436.464 3.511 0 40 IHAB CCc1cccc(C)c1NC(=O)CN1C(=O)N[C@](C)(c2cccc(Br)c2)C1=O 3370210 QVRFTNOWNAZYBN-OAQYLSRUSA-N 444.329 3.726 0 40 IHAB COC[C@@H](C)n1c(SCC(=O)Nc2cc(C)ccc2OC)nc2ccccc2c1=O 3371727 AXLXTGGGCYBZNP-OAHLLOKOSA-N 427.526 3.652 0 40 IHAB O=C(CN1C(=O)N[C@@H](CCc2ccccc2)C1=O)Nc1c(Cl)cccc1C(F)(F)F 8825286 GGLIIAMSIGNDFG-HNNXBMFYSA-N 439.821 3.851 0 40 IHAB O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)Nc1c(Cl)cccc1C(F)(F)F 8890593 NXAAKKHOIUCDPR-LJQANCHMSA-N 437.805 3.691 0 40 IHAB CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cc(Br)c(O)c(OC)c1 8917295 OIIXVYQBYXKKJV-MRXNPFEDSA-N 430.254 3.835 0 40 IHAB CCCCSc1nc2c(c(=O)n(Cc3ccccc3)c(=O)n2C)n1Cc1ccccc1 8934533 MTAHELUJGGOQHX-UHFFFAOYSA-N 434.565 3.886 0 40 IHAB COc1ccc(CCSC2=N[C@@H]3CS(=O)(=O)C[C@H]3N2c2cccc(Cl)c2)cc1 8993665 GYRIRRQIMAUWTC-RTBURBONSA-N 436.986 3.666 0 40 IHAB Cc1ccnc(NC(=O)CCC(=O)N(CC(=O)NC(C)(C)C)c2ccc(F)c(Cl)c2)c1 8995332 LJEGYYPHEAYDCG-UHFFFAOYSA-N 448.926 3.849 0 40 IHAB CCOc1ccc(NC(=O)/C=C/c2cccc(OC)c2)cc1S(=O)(=O)N1CCCCC1 9125241 DDWVAHLYLJUFEC-JLHYYAGUSA-N 444.553 3.920 0 40 IHAB O=S(=O)(c1ccc(Sc2nnc(Nc3ccc(F)cc3)s2)nc1)N1CCCC1 9206467 JGOAUQKEAUDUBD-UHFFFAOYSA-N 437.547 3.752 0 40 IHAB CSc1ccccc1NC(=O)CSc1nnc([C@@H](C)NC(=O)c2ccccc2)n1C 9263255 PLCASWUSYZTLFO-CQSZACIVSA-N 441.582 3.759 0 40 IHAB CCOC(=O)c1nn(-c2ccc(C(F)(F)F)cc2)c(=O)c2c(NC(C)=O)scc12 9381611 VVTATDZIZYCOJB-UHFFFAOYSA-N 425.388 3.601 0 40 IHAB COCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1cccc(Br)c1 9409016 AJNUDZYWVLHXSV-IBGZPJMESA-N 428.286 3.736 0 40 IHAB O=C(c1ccccc1)[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2[C@H]2CCCN21 9487138 DURIVYJWBKVZRM-NCXUSEDFSA-N 429.303 3.829 0 40 IHAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CCc4sccc4[C@H]3c3cccs3)ccc21 9498340 FGMMXEKQRHUQOI-IBGZPJMESA-N 437.546 3.621 0 40 IHAB COc1cccc(C[C@H]2[C@@H](O)c3ccccc3S(=O)(=O)N2Cc2ccccc2)c1OC 9531267 OQUIDDGHCQZMSD-REWPJTCUSA-N 439.533 3.553 0 40 IHAB CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CSc1nnc(-c2ccco2)o1 9949436 KHMUQIRUUKPTOV-UHFFFAOYSA-N 431.499 3.972 0 40 IHAB CCOC(=O)c1sc(NC(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1C 10053902 FUMIKGGPOGFYEF-INIZCTEOSA-N 430.526 3.780 0 40 IHAB NC(=O)c1ccc(C(F)(F)F)n(Cc2cn(-c3ccccc3)nc2-c2ccccc2)c1=O 10912527 OVJYXCQLQUNOPU-UHFFFAOYSA-N 438.409 3.867 0 40 IHAB COCCn1c(SCC(=O)N(C)Cc2ccsc2)nc2cc(Cl)ccc2c1=O 11061687 CASOZBKBEJHEQI-UHFFFAOYSA-N 437.974 3.509 0 40 IHAB CC(C)Oc1ccc(C(=O)NCC(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)cc1 11416877 PLFRLVWNEWHJHV-UHFFFAOYSA-N 429.904 3.623 0 40 IHAB O=C(CCc1c[nH]c2ccccc12)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 12408660 HBIPDXNYDAIBRN-UHFFFAOYSA-N 425.916 3.504 0 40 IHAB CN(Cc1ccccc1)Cc1cc(C[C@H]2CNCC[C@H]2CC(=O)NCc2ccccc2)no1 12482046 YLBCCTGZAUWTCI-ZEQRLZLVSA-N 446.595 3.781 0 40 IHAB biogenic,in-vitro CC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)c(F)c1 12544090 RHWSIGVAHMWCCN-UHFFFAOYSA-N 430.423 3.558 0 40 IHAB CC(C)(C)C(=O)CNC(=O)c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 12560846 ZAAOCXLSXCKVQY-UHFFFAOYSA-N 442.459 3.851 0 40 IHAB CC(=O)NCc1ccc(-c2csc(NC(=O)c3cncc(Br)c3)n2)cc1 12617387 XTSFAHONRLGZDA-UHFFFAOYSA-N 431.315 3.856 0 40 IHAB COC(=O)c1cc(NC(=O)C2C[C@@H]3CC[C@H](C2)C32SCCS2)cc(C(=O)OC)c1 12773540 ZCIWCHKPCRCRJP-SFESLNEESA-N 435.567 3.811 0 40 IHAB COc1ccc(-c2csc(NC(=O)Cn3cnc4sc(C)c(C)c4c3=O)n2)cc1F 12776329 HBDDNVXLJCRYJU-UHFFFAOYSA-N 444.513 3.985 0 40 IHAB C[C@H](NC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1)c1cccc2ccccc12 12889624 KEZZOYGAELCADU-FXAWDEMLSA-N 438.549 3.788 0 40 IHAB COc1ccc([C@H](CNC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)N2CCOCC2)cc1 12926370 GLKNLIUIDQUHJL-VWLOTQADSA-N 433.552 3.859 0 40 IHAB Cc1ccc(NC(=O)CSc2nnc(N3CCC(C)CC3)n2C[C@@H]2CCCO2)cc1F 12940001 LXKDTXXNMIPXNI-SFHVURJKSA-N 447.580 3.872 0 40 IHAB O=C(C[S@](=O)Cc1ccc(F)cc1Br)N1CCCc2cccc(F)c21 12971883 IJXCSFDYJZCUNF-VWLOTQADSA-N 428.298 3.955 0 40 IHAB O=C(CCC(=O)c1cccs1)CCC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 12974927 NUDICRRVIHILDG-QGZVFWFLSA-N 426.538 3.938 0 40 IHAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)C1 12976004 JCLIAGFNWUJQIC-GFCCVEGCSA-N 432.329 3.638 0 40 IHAB Cc1cc2oc(=O)cc(CN3C(=O)N[C@@](C)(c4ccc5c(c4)OCO5)C3=O)c2cc1C(C)C 13039690 URSOVJCHPWULOA-VWLOTQADSA-N 448.475 3.921 0 40 IHAB CC(=O)C[C@]1(O)C(=O)N(Cc2ccc(OC(C)C)cc2)c2ccc(Br)cc21 13568774 IHMKWSFPEUZJKT-OAQYLSRUSA-N 432.314 3.950 0 40 IHAB CSc1ccc([C@@H]2NC3=NCN(Cc4ccccn4)CN3c3nc4ccccc4n32)cc1 13638219 HZRKEONWIJRFIU-JOCHJYFZSA-N 441.564 3.897 0 40 IHAB COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(c3ccc4c(c3)OCO4)[C@@H]21 13987057 PMKUYFTYECSMCA-JOCHJYFZSA-N 430.416 3.752 0 40 IHAB O=C(NCCc1cccs1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 14629602 AATWTBNCKUBDQW-UHFFFAOYSA-N 426.991 3.939 0 40 IHAB CC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)c1 15421708 AQHJIEWCXMSADI-UHFFFAOYSA-N 427.460 3.736 0 40 IHAB Cc1c(Cl)cccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 15431886 GEMUUBUOAYTORS-UHFFFAOYSA-N 429.325 3.575 0 40 IHAB CCc1nnc(NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)s1 15963314 QPAJPWGSAMIMBH-UHFFFAOYSA-N 426.527 3.731 0 40 IHAB COc1ccccc1Nc1nc(N)nc(COC(=O)c2cc3cc(Cl)ccc3o2)n1 16681146 QCXJVDJSTXINTG-UHFFFAOYSA-N 425.832 3.963 0 40 IHAB CC(=O)N1CCc2c(sc(NC(=O)C3=COCCO3)c2-c2nc3ccccc3s2)C1 16890358 NCDRKDMAQGGHRV-UHFFFAOYSA-N 441.534 3.756 0 40 IHAB CCOC(=O)C1=C(CSc2ncnc3sc(CC)cc23)NC(=O)N[C@@H]1c1ccco1 18349142 DNAPAXHNKRMVGP-MRXNPFEDSA-N 444.538 3.810 0 40 IHAB Cc1noc(C)c1COc1ccc(CC(=O)OCC(=O)N(C)Cc2ccsc2)cc1 19011412 BMPONORWDHHXNI-UHFFFAOYSA-N 428.510 3.676 0 40 IHAB Cc1cc(C)c(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2cccc3nsnc23)c(C)c1 19076922 KQCKTDGYLGSLNL-QGZVFWFLSA-N 444.582 3.798 0 40 IHAB CCN1CCN(C(=O)c2ccn(C)n2)C[C@H](Cc2ccc(-c3cccc(C)c3)cc2)C1=O 19527313 FHMGLNWWBJOUJR-QHCPKHFHSA-N 430.552 3.559 0 40 IHAB COc1cccc(C(=O)N2CCNC(=O)[C@H](Cc3cccc(-c4ccccc4)c3)C2)c1OC 19567356 MEEAHOBCXOWFCZ-JOCHJYFZSA-N 444.531 3.802 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3C(N)=O)c2)cc1 19932273 OYESAKPUAARYSU-UHFFFAOYSA-N 443.912 3.800 0 40 IHAB COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NC2CCCCCC2)cc1C 20008500 JCFSEFNSSZCOHX-JOCHJYFZSA-N 444.597 3.732 0 40 IHAB CC(C)(C)c1cc(NC(=O)c2ccc(C(F)(F)F)cc2)n([C@H]2CCS(=O)(=O)C2)n1 22406756 FWXCOAKKOKZLKA-AWEZNQCLSA-N 429.464 3.811 0 40 IHAB CN(C)CCN(C(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)c1nc2ccc(Cl)cc2s1 22664362 XRVUTNJUHDWMOG-OAHLLOKOSA-N 442.972 3.897 0 40 IHAB CN(C)C(=O)COc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)cc1 23137434 DHNCMKRQBOJHMX-UHFFFAOYSA-N 436.487 3.610 0 40 IHAB COC(=O)c1ccc(NC(=O)Cc2cc(=O)[nH]c(SCc3cccc(Cl)c3)n2)cc1 23138238 LPIBUOOKYVFUOZ-UHFFFAOYSA-N 443.912 3.683 0 40 IHAB COc1ccc(Br)cc1CN(C)C(=O)c1cc(NC(C)=O)cc(NC(C)=O)c1 23497107 LHPSCTVPZJKCJM-UHFFFAOYSA-N 448.317 3.647 0 40 IHAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)N[C@@H](C)CCc3ccccc3)CC2)c1 24611889 TWXZFAGXVFGPEZ-FQEVSTJZSA-N 428.598 3.674 0 40 IHAB CCOc1c(Br)cc(F)cc1NC(=O)c1ccc(=O)n(-c2ccccc2)n1 24804358 FRLITRCVSCWESS-UHFFFAOYSA-N 432.249 3.785 0 40 IHAB COc1cccc2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccc(C)n4)cc3)oc12 30865681 VTZKFPXNRSPOQB-UHFFFAOYSA-N 438.465 3.593 0 40 IHAB CC(C)C(=O)N1CCN(c2ccccc2NC(=S)NC(=O)/C=C/c2ccccc2)CC1 32127002 IBWXQVVHGXMSGZ-OUKQBFOZSA-N 436.581 3.518 0 40 IHAB O=C(Nc1ccc(Br)cc1F)c1nc2ccccc2nc1N1CCOCC1 32642920 WEDOZZJLPOPMBS-UHFFFAOYSA-N 431.265 3.620 0 40 IHAB C[C@@](Cc1nc2ccccc2s1)(C(=O)NCCNC(=O)c1ccco1)c1ccccc1 32908736 HSCQEPNTGKDDPG-DEOSSOPVSA-N 433.533 3.936 0 40 IHAB O=C(NCc1ccc(-n2cncn2)nc1)c1cn(Cc2ccccc2)nc1-c1ccccc1 32933109 RWQKNARHXMJMJX-UHFFFAOYSA-N 435.491 3.504 0 40 IHAB CCn1c(SCC(=O)NCc2cccs2)nnc1-c1ccc2c(c1)OCCCO2 33087518 CCXKEZTWMWWAQL-UHFFFAOYSA-N 430.555 3.596 0 40 IHAB Cc1ccc(S(=O)(=O)NC[C@@H](c2ccccc2)S(=O)(=O)c2cccs2)c(C)c1 33326403 IWLMCHJJOACKNP-IBGZPJMESA-N 435.592 3.858 0 40 IHAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3cccc(C)c3C)cc2)n1 38755915 JXAGUJPRSPZMAV-QGZVFWFLSA-N 440.525 3.609 0 40 IHAB COc1ccc(CNc2nnc(S[C@H](C)c3nnnn3-c3ccccc3)s2)cc1 40127817 SGGGKSWNAYQECG-CYBMUJFWSA-N 425.543 3.988 0 40 IHAB Cc1ccc([C@@H](CNC(=O)c2ccc(O[C@H](C)c3ccccc3)nc2)N2CCOCC2)o1 40132005 SSSUXELEPPSDMZ-DENIHFKCSA-N 435.524 3.926 0 40 IHAB CS(=O)(=O)N(CC(=O)NCc1ccc(F)cc1)c1ccc(Oc2ccccc2)cc1 44841156 WQWHDUHACWJKIS-UHFFFAOYSA-N 428.485 3.700 0 40 IHAB COc1ccccc1NC(=O)C1=C(C)Nc2c(C(N)=O)cnn2[C@@H]1c1ccc(Cl)cc1 49547883 CTSVMNLGYQEORV-LJQANCHMSA-N 437.887 3.572 0 40 IHAB COC(=O)CNC(=O)Cc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3)s2)cc1 58017647 ZCHZJZJEXZRWBB-WYMLVPIESA-N 434.517 3.899 0 40 IHAB CN(CCCC(=O)OC(C)(C)C)C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 58369283 FKVHXLRDHJWXCE-UHFFFAOYSA-N 446.569 3.706 0 40 IHAB Cc1cc(=O)c(C(=O)N[C@H](C)COc2ccccc2F)nn1-c1ccccc1C(F)(F)F 60013516 LNOXFTSJRQNNGV-CYBMUJFWSA-N 449.404 3.896 0 40 IHAB CC[C@@H](C)n1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nc2cc(C)[nH]c2c1=O 67239107 CKZMFTVFIXZIOF-CYBMUJFWSA-N 428.514 3.506 0 40 IHAB CN(C1CCCCC1)S(=O)(=O)N1CCC2(CC1)C[C@@H]2c1nnc(-c2cccc(F)c2)o1 71890644 OAOFQJQJBQMFRM-LJQANCHMSA-N 448.564 3.955 0 40 IHAB O=C(C1CCN(c2ncccc2-c2nc(-c3ccccc3)no2)CC1)N1CCSCC1 72328367 KRRFVOOBMOGWBW-UHFFFAOYSA-N 435.553 3.590 0 40 IHAB COc1cccc(CNC(=O)c2ccc(C3CCN(C(=O)c4ccccc4)CC3)nc2N)c1 72348361 IEZWBLHLRKPMRP-UHFFFAOYSA-N 444.535 3.622 0 40 IHAB COCCNC(=O)c1sc2ccccc2c1[C@@H]1CCN(C(=O)c2scnc2C)C1 72352463 BPBPTDUMDOIQDO-CQSZACIVSA-N 429.567 3.672 0 40 IHAB Cc1ccc(C(=O)NC(=N)c2ccc(F)c(Cl)c2)cc1S(=O)(=O)N1CCCCC1 89651173 GYNBVPWCMMCTEC-UHFFFAOYSA-N 437.924 3.717 0 40 IHAB Cc1c(CNC(=O)COc2ccc3c(c2)OCO3)sc2nc(-c3ccc(F)cc3)cn12 90593745 YHHFMQKPFLAYSS-UHFFFAOYSA-N 439.468 3.934 0 40 IHAB COc1cc(OC)c(CCC(=O)Nc2ccc(N3CCC(OC)CC3)cc2)c(OC)c1 96104483 STDDGSOFJTYRJZ-UHFFFAOYSA-N 428.529 3.899 0 40 IHAB Cc1cccc(-c2cc3ncc4c(n3n2)C[C@H]2CC[C@H]4N2Cc2cnc(N(C)C)nc2)c1 100141192 IFLBIWAAYJBUQL-DENIHFKCSA-N 425.540 3.823 0 40 IHAB COc1ccc(OC)c(N([C@@H](C)C(=O)Nc2cccc3ccccc23)S(C)(=O)=O)c1 220207153 BRNMQWYPUSZFMV-HNNXBMFYSA-N 428.510 3.650 0 40 IHAB CCOc1ccc(N([C@@H](CC)C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)cc1 223237053 BMGGPJCKXYYWIE-SBUREZEXSA-N 444.597 3.996 0 40 IHAB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccnc2)c1C 223715250 CESRKQSUYBLQHS-PKTZIBPZSA-N 449.580 3.810 0 40 IHAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1OC 223989909 QYTXIMXLLLWHTC-OAQYLSRUSA-N 442.556 3.806 0 40 IHAB S=C(NCc1ccc2c(c1)OCCO2)Nc1ccc(N2CCc3ccccc3C2)nc1 224051391 CQRIYLLMQFKQPP-UHFFFAOYSA-N 432.549 3.902 0 40 IHAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)CCc1ccc2c(c1)OCO2 224083794 VNWMMSYPABRLKQ-INIZCTEOSA-N 428.504 3.819 0 40 IHAB Cc1ccc(N(C)CCNC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1 224181078 BVRFLJDHNUHGPD-UHFFFAOYSA-N 437.565 3.686 0 40 IHAB CC[C@H](NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCC2)c1)c1ccc(OC)c(C)c1 224343630 GYFIAHAIHLTVGY-FQEVSTJZSA-N 446.569 3.678 0 40 IHAB O=C(NCC1(c2ccc(F)cc2)CCCC1)c1ccc(N2CCCCS2(=O)=O)cc1 224387174 CZNUIWINRGYAKB-UHFFFAOYSA-N 430.545 3.998 0 40 IHAB Cc1cc(S(=O)(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)ccc1N1CCCC1=O 225159933 QCYYCMPHSMWWTB-UHFFFAOYSA-N 445.566 3.880 0 40 IHAB C[C@@H]1CCCN(c2cc(N3CCCCCC3)nc(NC(=S)NC[C@@H]3CCCO3)n2)C1 225908441 KNFDWWOKITVKBF-MSOLQXFVSA-N 432.638 3.559 0 40 IHAB CCOc1ncc([C@]2(O)CCC[C@@H]3CN(Cc4cc(F)cc(F)c4)C[C@H]32)c(OCC)n1 253382159 HEGQRLOIFZGHRL-AYPBNUJASA-N 433.499 3.672 0 40 IHAB O=C(c1cccc(-n2cnnc2)c1)N1CCC[C@]2(C[C@@H](Oc3cccc(Cl)c3)CO2)C1 257324526 WPCMEDXSZTUKMR-GGAORHGYSA-N 438.915 3.763 0 40 IHAB Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(F)cc2F)cc1 408562025 XBIYVLDWFQLFRH-OAQYLSRUSA-N 430.476 3.802 0 40 IHAB CCOc1ccc(S(=O)(=O)NCc2ccc(OC)cc2)cc1NC(=O)c1ccccc1 408562413 ZRJUNJPRDGKHHX-UHFFFAOYSA-N 440.521 3.825 0 40 IHAB O=C(NCc1ccc(F)cc1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 408614366 BJAPNQCZPYVTGT-KRWDZBQOSA-N 449.457 3.886 0 40 IHAB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(OC)c3ccccc23)C1=O 409239636 ZUGANRYKAOSIBL-KGENOOAVSA-N 429.476 3.942 0 40 IHAB COC(=O)C[C@@H](c1ccc(OC)cc1)c1oc(CN2CCc3ccccc3C2)cc(=O)c1O 524731136 LHGHICDKENAIJY-QFIPXVFZSA-N 449.503 3.607 0 40 IHAB biogenic COc1ccc(CC(=O)N2CCC3(CC2)CC(=O)N(Cc2cccc(F)c2)C3)cc1F 2055794506 WCNJJPDFGNJGAC-UHFFFAOYSA-N 428.479 3.557 0 40 IHAB COc1cc2c(cc1OC)[C@H]1Cc3c(cnc4c(-c5ccc(F)cc5)cnn34)C(=O)N1CC2 1390396 OTLIAQMNEJBBEC-HXUWFJFHSA-N 444.466 3.848 0 40 IHAB CCCCn1c(-c2ccccc2)nn(S(=O)(=O)c2ccc(Br)cc2)c1=O 2077414 JSYKCMXVELCATR-UHFFFAOYSA-N 436.331 3.511 0 40 IHAB COc1ccc(C(=O)N2CC[C@]3(O)CCCC[C@@H]3[C@H]2c2ccc(O)c(OC)c2)c(OC)c1 2104096 IPZLNMQUSXRPEM-RZPHLTDDSA-N 441.524 3.927 0 40 IHAB Nc1c(S(=O)(=O)c2ccc(Cl)cc2)c2nc3ccccc3nc2n1C[C@H]1CCCO1 2196000 USVRUZJTZAUWCM-CQSZACIVSA-N 442.928 3.832 0 40 IHAB O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1nnc(-c2ccc(Cl)cc2)o1 3231276 NFSONIZEOOZGHR-UHFFFAOYSA-N 431.901 3.796 0 40 IHAB O=C(Nc1ccc2c(c1)OCO2)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 3597835 HBAXKBWDLDTBSC-UHFFFAOYSA-N 436.917 3.886 0 40 IHAB COCCNC(=S)N(Cc1ccc(F)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O 6320780 JRKLFCVJXNXMQM-UHFFFAOYSA-N 427.545 3.807 0 40 IHAB CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(Cc3cn4cc(C)ccc4n3)CC2)cc1 6657899 KXEVSGQPBGWATR-IBGZPJMESA-N 426.586 3.663 0 40 IHAB COc1ccc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1S(N)(=O)=O 8708706 AFPOFZSIZIYDEG-UHFFFAOYSA-N 440.399 3.874 0 40 IHAB O=C(Nc1cccc2ncccc12)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 8749052 NLELDJXGWXERSR-HNNXBMFYSA-N 445.928 3.598 0 40 IHAB O=C(C[C@]1(O)C(=O)N(CCCc2ccccc2)c2ccccc21)c1ccc2c(c1)OCO2 8922503 NCOMPZRTNOFLDI-AREMUKBSSA-N 429.472 3.855 0 40 IHAB CCCCCOc1ccccc1NC(=O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]12 8964465 HLGFEKDHPNYQTH-WVXKDWSHSA-N 435.517 3.591 0 40 IHAB biogenic CCCCN(CCCC)CCCN1CC(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 8964541 QLGVVZPFPFYHNQ-SANMLTNESA-N 438.616 3.902 0 40 IHAB biogenic Cc1ccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(Cc3ccccc3C)c(=O)n2C)cc1C 9014724 QOUNNMWENSZQSZ-MRXNPFEDSA-N 443.551 3.658 0 40 IHAB CCOc1ccc2nc(SCC(=O)NCC(=O)Nc3cccc(Cl)c3C)[nH]c2c1 9367232 AEWNKKSYVHZECT-UHFFFAOYSA-N 432.933 3.770 0 40 IHAB CC(C)(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)NC34CC5CC(CC(C5)C3)C4)C2=O)cc1 9373021 SUNNQAXGYVFFSP-NPUAEYQZSA-N 437.584 3.836 0 40 IHAB COc1cc(/C=c2/sc3nc4ccccc4n3c2=O)ccc1OC(=O)c1ccc(F)cc1 9435081 FRLSKNCWTUZFAA-FYJGNVAPSA-N 446.459 3.824 0 40 IHAB O=C(Oc1ccc2c3c(c(=O)oc2c1)CCC3)[C@@H]1CCCN1C(=O)OCc1ccccc1 9452156 MQMGAKNWVAEYJX-NRFANRHFSA-N 433.460 3.988 0 40 IHAB Cc1ccc(-c2cc(-c3nnc(SCC(=O)Nc4cc(C)cc(C)c4)n3N)[nH]n2)cc1 9541670 OKIZTNGMFMYBJB-UHFFFAOYSA-N 433.541 3.705 0 40 IHAB O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)NCCc1ccc(O)cc1 9547902 BRCCGSZEZBXMMQ-UHFFFAOYSA-N 431.444 3.609 0 40 IHAB biogenic CC(=O)Nc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCC[C@@H](C)C3)c2)cc1 9662597 YBWHQLLOIVMIRZ-CQSZACIVSA-N 449.960 3.971 0 40 IHAB CCOC(=O)c1ccc(Nc2nc(Nc3ccc(F)cc3)nc(N3CCOCC3)n2)cc1 9708845 KACRNYZVWHFIDS-UHFFFAOYSA-N 438.463 3.511 0 40 IHAB COc1ccc(OC)c(NC(=O)CSc2nnc3ccc(-c4cccs4)nn23)c1 9829162 KNBYZKSVONAXJK-UHFFFAOYSA-N 427.511 3.601 0 40 IHAB Cc1c(Cl)cccc1-n1ccnc1SCC(=O)OCc1nc2ccsc2c(=O)[nH]1 10021305 HKFQJRBLQDLTHA-UHFFFAOYSA-N 446.941 3.968 0 40 IHAB COc1ccc2nc(-c3ccc(NS(=O)(=O)c4cc(Cl)ccc4OC)cc3)cn2n1 11693579 ODWPIBDZXKNPSZ-UHFFFAOYSA-N 444.900 3.868 0 40 IHAB Cc1ccc2c(c1)C(=O)C[C@H](C1CCN(C(=O)c3cc(-c4c(C)nn(C)c4C)n[nH]3)CC1)O2 12087397 DPJSJUYSNHICOI-HSZRJFAPSA-N 447.539 3.622 0 40 IHAB C[C@H]1Cc2cc(CC(=O)N[C@@H]3CC(C)(C)Cc4nc(-c5cnccn5)ncc43)ccc2O1 12241331 MYBLTUFPOICBFS-HNAYVOBHSA-N 429.524 3.629 0 40 IHAB O=C1c2ccccc2S(=O)(=O)c2cc(-c3nn4c(-c5ccccc5)nnc4s3)ccc21 12274129 VMVLNZJCRZQBQB-UHFFFAOYSA-N 444.497 3.897 0 40 IHAB COc1ccc([C@@H]2c3cccn3CCN2S(=O)(=O)c2cccc(Cl)c2)cc1OC 12361691 NNSQKIBBXDCUQF-OAQYLSRUSA-N 432.929 3.953 0 40 IHAB COc1ccccc1NS(=O)(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C)cc2)c1 12605354 CBJQLVFWLBIHAN-UHFFFAOYSA-N 446.550 3.914 0 40 IHAB Cn1c(C[C@@H]2CCS(=O)(=O)C2)nnc1Sc1cc(C(F)(F)F)nc2ccccc12 12740965 NECHETUEZRZIIN-NSHDSACASA-N 442.488 3.511 0 40 IHAB COc1ccc(C(=O)C2CCN(C(=O)C3CCN(C(=O)c4cccs4)CC3)CC2)cc1 12741482 QHZKGVHBTMJQKD-UHFFFAOYSA-N 440.565 3.730 0 40 IHAB O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)c2ccccc2Br)CC1 12748288 VLTDWIZPMAFFFS-UHFFFAOYSA-N 430.298 3.955 0 40 IHAB Cc1sc2nc(SCC(=O)NC(=O)NC(C)(C)C)n(C3CCCC3)c(=O)c2c1C 12781767 CARSGUVXGHZUDT-UHFFFAOYSA-N 436.603 3.906 0 40 IHAB Cc1ccccc1C(=O)N1CCC(C(=O)O[C@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)CC1 12857775 JBBICJCZWHMEMB-WGQQHEPDSA-N 428.573 3.720 0 40 IHAB CN(C)Cc1ccccc1CNc1nc(CN2CCOCC2)nc2sc3c(c12)CCC3 12879084 HFNSLMUBWSWKCC-UHFFFAOYSA-N 437.613 3.686 0 40 IHAB COC(=O)c1sccc1S(=O)(=O)N1CCc2sccc2[C@H]1c1cccs1 12934283 CPDMDOVYKVRICN-HNNXBMFYSA-N 425.578 3.994 0 40 IHAB C[C@@H](Sc1nc(Cl)nc2[nH]cnc12)C(=O)NCCc1c[nH]c2ccc(Cl)cc12 13551675 FCLSLXNMGZANJM-SECBINFHSA-N 435.340 3.981 0 40 IHAB CCOc1ccccc1CCCNC(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 13649715 GSPITKAMNBNHGI-UHFFFAOYSA-N 446.613 3.898 0 40 IHAB CC(C)CCN1C(=O)c2ccc(C(=O)N3CCC[C@H](C(=O)Nc4ccccc4)C3)cc2C1=O 14241600 FVQUWHYMPYKKCY-IBGZPJMESA-N 447.535 3.820 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CCCN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 14399963 PMOICWHEOATSIE-UHFFFAOYSA-N 432.542 3.665 0 40 IHAB COc1ccc(Cl)cc1-c1nnc(SCC(=O)N2CCC(c3ccccc3)=N2)[nH]1 15512960 YPOYBJJJBFUPOC-UHFFFAOYSA-N 427.917 3.862 0 40 IHAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)CCCN3CCCC3=O)cc2N1 19520697 SXEIHBYSYPQZOK-HYVNUMGLSA-N 441.498 3.647 0 40 IHAB CCNC(=O)[C@]1(Cc2ccc(-c3ccccc3F)cc2)CCCN(C(=O)c2cnccn2)C1 19528715 WUVPUMWOPFLPLO-SANMLTNESA-N 446.526 3.884 0 40 IHAB CC(=O)N(C)Cc1cc(N(C)C)nc([C@H]2CCCCN2C(=O)c2cc3c(C)cccc3[nH]2)n1 19709903 SHRQXPYHIKNBOX-JOCHJYFZSA-N 448.571 3.678 0 40 IHAB Cc1cccc(CCN2C(=O)CCc3c(C)nc([C@@H]4CCCN(C5CCOCC5)C4)nc32)c1 19741578 JKSASOMXEALUGA-JOCHJYFZSA-N 448.611 3.974 0 40 IHAB CC(=O)N1CCCC[C@@H]1c1nc2c(c(NCc3ccccc3N3CCCC3)n1)CCN(C)C2 19752865 UWQBEBNLAVPHMT-XMMPIXPASA-N 448.615 3.750 0 40 IHAB COc1ccc(NC(=O)c2cn(C)nc2CC2CCN(C(=O)[C@@H]3CC34CCC4)CC2)cc1 19756533 KKROUQSEKAWDDQ-NRFANRHFSA-N 436.556 3.652 0 40 IHAB CCN(CC(=O)N[C@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930396 AAMIVOYQMWWSLJ-IBGZPJMESA-N 436.961 3.553 0 40 IHAB COc1cc(OC)cc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)c(C)c2)c1 20153527 OSIOAEXUDOSPMW-UHFFFAOYSA-N 426.494 3.891 0 40 IHAB CCc1nnc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccs2)s1 21289160 INUYZVINRTXYTC-HNNXBMFYSA-N 425.539 3.623 0 40 IHAB Cc1ccc(CNC(=O)N2CCN(Cc3ccc(Br)s3)CC2)cc1F 22019225 JAQRPBRCBRUWLR-UHFFFAOYSA-N 426.355 3.986 0 40 IHAB Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 22539504 MRTXNBJYLBJLNE-FDDCHVKYSA-N 440.540 3.901 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)c3ccc(F)cc3)C2)cc1 22540182 ILTPSHFQQZMQTK-WMZOPIPTSA-N 434.533 3.503 0 40 IHAB Cc1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)c2c1cnn2-c1ccc(F)cc1 23137625 XHGZHQGBMUTWFH-UHFFFAOYSA-N 437.456 3.723 0 40 IHAB O=C(CSCc1cc(=O)n2cc(Br)ccc2n1)NCCC1=CCCCC1 24066125 UQYQPYLENYRGMB-UHFFFAOYSA-N 436.375 3.697 0 40 IHAB O=C(CCC1CCCC1)N1CCN(C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)CC1 30393623 XDFMYIGTAKDHFP-UHFFFAOYSA-N 440.588 3.572 0 40 IHAB CC(C)c1nnc(S[C@@H](C(=O)N2CCOCC2)c2ccccc2)n1Cc1ccco1 32865341 YBYOOOVCGGBXKS-LJQANCHMSA-N 426.542 3.735 0 40 IHAB O=C(NC[C@H](c1cccs1)N1CCOCC1)c1cc(-c2ccco2)nn1-c1ccccc1 32868906 KRGCDIWQFDAJPG-OAQYLSRUSA-N 448.548 3.997 0 40 IHAB Cc1ccc(C)c(Nc2nc3nonc3nc2Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 35528329 XSNNAWJKBDGRAV-UHFFFAOYSA-N 442.483 3.915 0 40 IHAB Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 36447018 UVZCRNWKIBZWSQ-XMMPIXPASA-N 449.576 3.681 0 40 IHAB O=C(Cn1c2ccccc2n2c(=O)cc(-c3ccccn3)nc12)Nc1cc(F)ccc1F 40484872 RJYJYNZHUHLUSG-UHFFFAOYSA-N 431.402 3.628 0 40 IHAB Cc1ccccc1C(=O)NC1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 48279204 VHLNWPCMUSGARG-UHFFFAOYSA-N 426.460 3.687 0 40 IHAB Cc1ccc(N(C)C(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)c(C)c1 48355795 YKSNDRBBDNUGDY-UHFFFAOYSA-N 432.450 3.639 0 40 IHAB Cc1cc(C)c2c(n1)sc1c(=O)n(CC(=O)NCc3ccccc3Cl)c(C)nc12 49004082 VUOFOZKPOGWMDL-UHFFFAOYSA-N 426.929 3.901 0 40 IHAB CCOC(=O)c1ccc(NC(=O)Cn2c(-c3cccc(Cl)c3)nc(C)cc2=O)cc1 57526694 HCXAJQXAOIFWLI-UHFFFAOYSA-N 425.872 3.688 0 40 IHAB C[C@@H](CN(C)c1ccccc1)NC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O 57984686 KBMPILOGGDUZDQ-HNNXBMFYSA-N 438.578 3.828 0 40 IHAB CS(=O)(=O)Nc1ccc(OC(=O)c2nc(-c3ccccc3)n3c2CCCCC3)cc1 58406764 KUCQRLCBDLZKCT-UHFFFAOYSA-N 425.510 3.867 0 40 IHAB Cn1cc(C(=O)NC2CCN(C(=O)c3cc4c(s3)CC[C@H](C(C)(C)C)C4)CC2)cn1 71917595 BZSZENKDXDSTKG-KRWDZBQOSA-N 428.602 3.667 0 40 IHAB COc1cc(C)c(S(=O)(=O)N2CCC[C@H]2c2cccc(Nc3cnccn3)n2)cc1C 72375820 JTLSXYWZTBXWNW-SFHVURJKSA-N 439.541 3.766 0 40 IHAB C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 78938681 GHCZAUBVMUEKKP-FSJGZNMKSA-N 449.632 3.594 0 40 IHAB endogenous O=C(Nc1ccc(Br)cn1)[C@@H]1CCCN(CCc2ccc3c(c2)OCCO3)C1 96007811 UXIRVLKDQSZNIU-MRXNPFEDSA-N 446.345 3.509 0 40 IHAB COc1ccc(C(=O)COc2ccc(N3C(=O)[C@@H]4[C@@H]5C=C[C@H]([C@H]6C[C@@H]65)[C@H]4C3=O)cc2)cc1 101879742 SYUJAWVNBGZCNK-JGELFBEGSA-N 429.472 3.514 0 40 IHAB CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccncc4)[C@H]3C2=O)cc1 102747604 ZZEGYUHGFNNAND-XPWALMASSA-N 429.476 3.922 0 40 IHAB C[C@@H](C(=O)NCCSC(C)(C)C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 113940596 KPKRPSXPNSACRJ-NSHDSACASA-N 427.419 3.796 0 40 IHAB CCOc1ccccc1N(CCCC(=O)N[C@@H](CC)c1ccc(OC)cc1)S(C)(=O)=O 113960950 RHUIFNZPEMSNGQ-FQEVSTJZSA-N 448.585 3.908 0 40 IHAB CCOc1ccccc1N(CCCC(=O)N[C@H](CC)c1ccc(OC)cc1)S(C)(=O)=O 113960953 RHUIFNZPEMSNGQ-HXUWFJFHSA-N 448.585 3.908 0 40 IHAB CC[C@H](Oc1ccccc1OC)C(=O)N(C)Cc1nc(-c2ccc(OC)cc2OC)no1 219570320 SBCHJOBUKKRRLG-KRWDZBQOSA-N 441.484 3.578 0 40 IHAB COc1ccc(S(=O)(=O)Nc2cccc(OC(C)C)c2)cc1I 223649643 GANKZGIJDOFXOL-UHFFFAOYSA-N 447.294 3.888 0 40 IHAB CC[C@@H](C(=O)NCCOc1cc(C)cc(C)c1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 224087223 RCPSYBVKGWHZBV-QFIPXVFZSA-N 432.586 3.660 0 40 IHAB CCc1ccc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3C)CC2)cc1 224151784 FWMBITSUDIJVHD-LJQANCHMSA-N 428.598 3.977 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NCc3ccccc3F)cc2)cc1 224518506 ANJYWVSDJGKCCQ-UHFFFAOYSA-N 426.513 3.885 0 40 IHAB Cc1ccc(OCCNC(=O)CCCN(c2ccccc2Cl)S(C)(=O)=O)c(C)c1 224669439 DLNVQOYRIHWFDQ-UHFFFAOYSA-N 438.977 3.698 0 40 IHAB O=S(=O)(Cc1ccc(C(F)(F)F)cc1)NC[C@@](O)(c1ccsc1)c1ccco1 253472791 PJTLHNLBTJDPJC-QGZVFWFLSA-N 431.457 3.715 0 40 IHAB CC(C)Oc1ccccc1CN(CC(=O)O)C(=O)Cn1c(C(F)(F)F)nc2ccccc21 257312022 UMDBNGZDOUIMDY-UHFFFAOYSA-N 449.429 3.956 0 40 IHAB Cc1ccccc1CN1CC[C@H](c2cc3nc(C)c(CCC(=O)NC4CC4)c(C)n3n2)C1 257325980 WVGNZCCDIDACSB-NRFANRHFSA-N 431.584 3.855 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)N(C)c2ccc(C)c(C)c2)C1 260737106 JUJHBTOROITPJE-IBGZPJMESA-N 430.570 3.684 0 40 IHAB COC(=O)COc1c(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)cccc1OC 408535211 VHESIKHQEGLBEE-WOJGMQOQSA-N 427.478 3.792 0 40 IHAB CC(C)CNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl 408595595 QVZOIGWJVCKQNN-KRWDZBQOSA-N 429.369 3.655 0 40 IHAB COc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Cl)cc2)c(OC)c1 408662526 FCRHCXLZVFYZDG-UHFFFAOYSA-N 434.876 3.648 0 40 IHAB COc1ccc(C(=O)Oc2ccccc2/C=c2\sc3nc4ccccc4n3c2=O)cc1 408893054 FCSUEIZNHSATSG-STZFKDTASA-N 428.469 3.685 0 40 IHAB COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1OC 408907820 SSOWYACPFKIVAO-UHFFFAOYSA-N 444.484 3.825 0 40 IHAB Cc1ccc(-n2c(SCC(=O)NC[C@H]3CCCO3)nc3sc(C)c(C)c3c2=O)cc1 409202367 QCJPXVDWQCGHFJ-QGZVFWFLSA-N 443.594 3.760 0 40 IHAB CN(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 409236982 UDMFDTOFTSXMEF-UHFFFAOYSA-N 436.577 3.799 0 40 IHAB CC(C)c1ccc(N2CCN(CC(=O)N3CC[C@@H](Oc4ccncc4Cl)C3)C2=O)cc1 575611499 YXZFQEYUGZHOAO-LJQANCHMSA-N 442.947 3.780 0 40 IHAB CCOc1cc(/C=C2/N=C(c3ccc(OC)cc3)OC2=O)cc(Cl)c1OCC(=O)OC 623303 VEZMEOWTSMSQJQ-LICLKQGHSA-N 445.855 3.644 0 40 IHAB CCOc1ccc(OCC)c(NC(=O)CSc2nnc(-c3cccnc3)n2CC)c1 894233 NZURLWCGZHZUSF-UHFFFAOYSA-N 427.530 3.888 0 40 IHAB CC[C@@H]1Oc2ccc(C(=O)n3nc(C)cc3C)cc2N(CC(=O)c2ccc(OC)cc2)C1=O 1328837 RQVZGQKNDUVIOB-QFIPXVFZSA-N 447.491 3.584 0 40 IHAB CCn1c(SCC(=O)Nc2ccccc2C)nc2nc3c(cc2c1=O)COC(C)(C)C3 2383866 HPYCOOAKYGYCSC-UHFFFAOYSA-N 438.553 3.702 0 40 IHAB Cc1ccc(-n2c(SCC(=O)NC[C@@H]3CCCO3)nnc2-c2ccccc2F)cc1 2619311 MGTKCZPFAYVBFG-KRWDZBQOSA-N 426.517 3.769 0 40 IHAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N(CCc1ccccc1)Cc1ccccc1)C2=O 2630836 ZOQOAIPUUVURJI-IBVKSMDESA-N 433.552 3.759 0 40 IHAB Cc1ccc(C(=O)N[C@@H](NC(=S)NNc2ccccc2)C(Cl)(Cl)Cl)cc1 2665606 JQGOHPCXXBSIEX-HNNXBMFYSA-N 431.776 3.912 0 40 IHAB CCOc1cc(/C=C2\N=C(c3ccccc3)OC2=O)cc(Br)c1OCC(=O)O 2747299 VYPBPMWGSUWZDT-DHDCSXOGSA-N 446.253 3.656 0 40 IHAB O=C(Nc1ccccc1Br)C1CCN(S(=O)(=O)c2cccs2)CC1 3166037 NRTYECBKRTXYED-UHFFFAOYSA-N 429.361 3.550 0 40 IHAB NC(=O)c1c(NC(=O)COC(=O)c2c(Cl)cccc2Cl)sc2c1CCCC2 3308906 YQBKXMNLCCWHDO-UHFFFAOYSA-N 427.309 3.828 0 40 IHAB O=C(CN(c1cccc2cccnc12)S(=O)(=O)c1ccccc1)NCc1ccc(F)cc1 3377522 ODEBIUVMTFVOFX-UHFFFAOYSA-N 449.507 3.886 0 40 IHAB Cc1ccccc1-n1c(SCn2nnc3ccccc3c2=O)nc2ccccc2c1=O 3519949 LOHOAETWBBXPMO-UHFFFAOYSA-N 427.489 3.549 0 40 IHAB O=C(Oc1ccc2oc3ccccc3c2c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 3550642 ZVYPWEWYRBAORB-UHFFFAOYSA-N 437.473 3.826 0 40 IHAB CC(C)(C)OC(=O)N1CCC[C@@]1(Cc1ccc(I)cc1)C(=O)O 4241171 NXSXNFISDKPVCF-QGZVFWFLSA-N 431.270 3.688 0 40 IHAB C[C@H]1CCC[C@H](C)N1C(=O)CSc1nc2ccccc2n1CC(=O)N1CCCCC1 4859171 NSUXWILRFIVQOP-ROUUACIJSA-N 428.602 3.930 0 40 IHAB COc1cc([C@H]2OC[C@@H]3[C@H]2CO[C@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 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CCCCc1ccc(NC(=O)CSc2nc(=O)n(CCN(C)C)c3c2CCCC3)cc1 9747417 ARIDRLIOCCLEJA-UHFFFAOYSA-N 442.629 3.757 0 40 IHAB COc1ccccc1-n1cnnc1SCc1cc(=O)n2c3c(sc2n1)CCCC3 9958472 FSWNPKRTABTHCJ-UHFFFAOYSA-N 425.539 3.516 0 40 IHAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)c1C 9971990 JOBKIPLYEJEMHH-ZIFCJYIRSA-N 446.569 3.507 0 40 IHAB CCC(=O)N(c1nnc(SCC(=O)Nc2nc3ccc(F)cc3s2)s1)C1CC1 9996243 HFXNEQYEBKGBMB-UHFFFAOYSA-N 437.547 3.923 0 40 IHAB COc1ccc(NC(=O)C(=O)NC[C@@H](c2cccc3ccccc23)N(C)C)cc1Cl 10333686 CSNLYFZRNSQPNK-FQEVSTJZSA-N 425.916 3.859 0 40 IHAB Cc1ccc([C@H]2N=C(N3CCN(c4cccc(Cl)c4)CC3)Nc3nc(C)cc(=O)n32)cc1 10342433 HBLXKJPNFQAYME-QFIPXVFZSA-N 448.958 3.664 0 40 IHAB CCOc1ccc(CNC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc1 10448575 BYEWNGRPZITSQS-UHFFFAOYSA-N 442.512 3.736 0 40 IHAB Cc1ccc(-c2noc(CSc3nnc(N4CCCC4)n3C[C@@H]3CCCO3)n2)cc1 10872521 ZFUGWHUKVAIYJA-KRWDZBQOSA-N 426.546 3.708 0 40 IHAB c1cncc(-c2nc(N3CCN(c4cnccn4)CC3)c3c4c(sc3n2)CCCC4)c1 11010774 UOTKOBBXGLHDBE-UHFFFAOYSA-N 429.553 3.749 0 40 IHAB COc1ccccc1C(=O)N[C@@H](C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1)C(C)C 11418432 GZGJDHDCLGVENE-OAQYLSRUSA-N 443.931 3.869 0 40 IHAB CC1CCN(c2nnc(SCc3cc(=O)n4ccsc4n3)n2Cc2ccco2)CC1 11541750 DOMCVFRJLIPEHW-UHFFFAOYSA-N 442.570 3.517 0 40 IHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N1CCC[C@@H](c2nc3ccccc3cc2C(N)=O)C1 12241627 KNUOMRIKHSKOIQ-WZONZLPQSA-N 447.535 3.906 0 40 IHAB CC(C)C[C@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)NCc1ccncc1 12325139 SLNYEBCANCBHBX-FQEVSTJZSA-N 447.564 3.943 0 40 IHAB CCc1nc2sc([C@H](c3ccc(Cl)c(Cl)c3)N3CCC(O)CC3)c(O)n2n1 12341978 HRGUVESXFQKFOX-HNNXBMFYSA-N 427.357 3.912 0 40 IHAB CCOc1nn(CC)cc1-c1nnc(SCC(=O)Nc2c(C)cc(C)cc2C)n1C 12422685 SGDAZIFTJCPYMN-UHFFFAOYSA-N 428.562 3.753 0 40 IHAB O=C1Nc2cc(C(F)(F)F)ccc2S[C@H]1CC(=O)N1CCN(c2ccccc2)CC1 12563334 SXPJJKDZNPFUNU-SFHVURJKSA-N 435.471 3.857 0 40 IHAB Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(-c3ccccc3)cc1)[C@@H]1C(=O)c3ccccc3C1=N2 12582802 HUHQOMCEJDRBIJ-VXKWHMMOSA-N 447.494 3.830 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)C)cc1/N=c1\scc(-c2ccco2)n1C[C@@H]1CCCO1 12659679 OHFJMGKDQKTSCX-XGNMISCSSA-N 447.582 3.780 0 40 IHAB Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3C[C@@H](C)O[C@H](C)C3)cccc2c1=O 12796695 SZDBGCALJFGHGH-QZTJIDSGSA-N 434.536 3.998 0 40 IHAB C[C@@H](Sc1nnc(-c2ccncc2)n1C1CC1)C(=O)N1c2ccccc2NC(=O)C1(C)C 12854067 NZJAWPPGGWTMND-CQSZACIVSA-N 448.552 3.920 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2N2CCCC2=O)c1 12867529 RSWXQFHPZSZJLR-UHFFFAOYSA-N 449.960 3.750 0 40 IHAB O[C@H](COc1ccccc1F)CN(Cc1ccccc1)C[C@@H](O)COc1ccccc1F 13149378 FKJSKAPZBGYQLJ-OYRHEFFESA-N 443.490 3.647 0 40 IHAB CC[C@H](C)[C@H](NC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)C(=O)O 13591176 AYDBAGADUPMODO-KKSFZXQISA-N 445.510 3.881 0 40 IHAB COCCCNC(=O)c1ccccc1NC(=O)COc1cc(C)c(Br)c(C)c1 13683731 GAWJNNMHJHGKRF-UHFFFAOYSA-N 449.345 3.850 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(Cc3csc(-c4ccccc4C)n3)CC2)cc1 14193012 UVHWVDILKIUUHP-UHFFFAOYSA-N 427.595 3.933 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2occc2COc2ccccc2)cc1 14525579 JCWUIILCXJYTGX-UHFFFAOYSA-N 442.537 3.819 0 40 IHAB O=C1C=C(N2CCN(C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccc(F)cc1 15307225 JBITWOKFEMWDBI-UHFFFAOYSA-N 441.506 3.990 0 40 IHAB Cc1nn(C)c(C)c1NC(=O)[C@@H](C)Sc1nnc(COc2ccc(Cl)cc2)n1C 15342395 JTYPMIVNGWYZQA-CYBMUJFWSA-N 434.953 3.517 0 40 IHAB CCCCNS(=O)(=O)c1cccc(NC(=O)c2cnc(SC)n2-c2ccccc2)c1 15598616 COAOHQQNHIGKOH-UHFFFAOYSA-N 444.582 3.925 0 40 IHAB CCCCn1nc(C)c2c(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc(C3CC3)nc21 17099624 JSWZVLADQXIODX-UHFFFAOYSA-N 435.528 3.608 0 40 IHAB COc1cc2cc(N)c(C3CCN(C(=O)c4cc(C(C)(C)C)n[nH]4)CC3)nc2cc1OC 19083585 YRZLSXHTWRMRBU-UHFFFAOYSA-N 437.544 3.875 0 40 IHAB CCCN1CCN(C(=O)c2ccn(C)n2)C[C@H](Cc2ccccc2-c2ccc(C)cc2)C1=O 19503149 KKKDDRSANZRLHC-QHCPKHFHSA-N 444.579 3.949 0 40 IHAB Cc1cc(NC(=O)[C@@H](C)Cn2nc(C)c(C)c2C)ccc1NC(=O)CN1CCCCC1 19570944 LJWMLRNFTCHHKP-KRWDZBQOSA-N 425.577 3.816 0 40 IHAB CN(C)C(=O)[C@]1(Cc2ccc(-c3ccccc3F)cc2)CCCN(C(=O)c2cnccn2)C1 19579444 ZSOIHQOVQLXHGI-SANMLTNESA-N 446.526 3.836 0 40 IHAB COc1ccc(C(=O)N2CCC[C@@H](c3ccc(C(=O)Nc4ccc(F)cc4)cn3)C2)cn1 19705911 OXCJKNDFKLMHLD-GOSISDBHSA-N 434.471 3.896 0 40 IHAB COc1cc(C)ccc1CN1CC[C@@H](c2cc(C(=O)N(C)CCO)c3ccccc3n2)C1 19761877 NWARITJOMSREPN-LJQANCHMSA-N 433.552 3.606 0 40 IHAB Cc1ccc(Nc2nc(N)nc(CN3CCN(C/C=C/c4ccccc4)CC3)n2)c(C)c1 19899252 CGGHBURGPVHDTB-RMKNXTFCSA-N 429.572 3.645 0 40 IHAB COc1cccc(C(=O)N[C@]2(C(F)(F)F)N=C(c3ccccc3)N(C3CCCC3)C2=O)c1 19939571 MBMPXFOIGZZPNP-JOCHJYFZSA-N 445.441 3.915 0 40 IHAB Cc1ccc(C)c(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(F)cc2)c1 20007741 MTCHJJYOEUGAOP-JOCHJYFZSA-N 426.513 3.971 0 40 IHAB COc1ccc([C@H](CC(C)C)NS(=O)(=O)c2ccc(OC)c(C(=O)NC(C)C)c2)cc1 20451342 HWVZHJMWAPBCMO-NRFANRHFSA-N 448.585 3.908 0 40 IHAB CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 20490864 JIZLRELGFYAXDQ-MRXNPFEDSA-N 425.510 3.851 0 40 IHAB CCN(CC)C(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl 22246353 WVGXISARQOFRFA-KRWDZBQOSA-N 429.369 3.751 0 40 IHAB CCOc1cccc(N(CC(=O)NC(c2ccccc2)c2ccccc2)S(C)(=O)=O)c1 22400136 FUGHPHZWUACYRS-UHFFFAOYSA-N 438.549 3.757 0 40 IHAB CCN1CCN(CCCNC(=O)c2cc3sccc3n2Cc2ccc(F)cc2)CC1 22586314 XTNZGMOLPACYLW-UHFFFAOYSA-N 428.577 3.648 0 40 IHAB COc1ccc(NC(=O)C[C@H]2CCCCN2S(=O)(=O)c2cccs2)cc1Cl 22732374 SJVMPEFTDIYTHE-CQSZACIVSA-N 428.963 3.982 0 40 IHAB O=C(CN1CCN(C/C=C/c2ccccc2)CC1)NCC1(N2CCCCC2)CCCCC1 22785777 QDZYLYJFHQKPDF-JLHYYAGUSA-N 438.660 3.622 0 40 IHAB O=C(CSc1ccccc1)N(CCN1CCOCC1)c1nc2c(F)cccc2s1 22998327 GVRBUJMKTHFHIP-UHFFFAOYSA-N 431.558 3.893 0 40 IHAB COc1ccc(C2=NN(C(=O)CN3CCN(c4ccccc4)CC3)[C@@H](c3ccco3)C2)cc1 23379824 BIIFFBOJZBHFTF-XMMPIXPASA-N 444.535 3.788 0 40 IHAB O=C1c2ccccc2C(=O)N1CCCSc1nc2ccccc2c(=O)n1Cc1ccco1 24838792 ROCLSXMPANLKFF-UHFFFAOYSA-N 445.500 3.816 0 40 IHAB CN(Cc1nccn1C(F)F)C(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 30231994 JZGITMQRFAPGPA-UHFFFAOYSA-N 431.892 3.677 0 40 IHAB COCCNC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 30939974 LOLBPKNBWWNLDK-GOSISDBHSA-N 429.948 3.567 0 40 IHAB CCOC(=O)c1ccc(NC(=O)C2CCN(Cc3nc(-c4ccccc4)no3)CC2)cc1 30955146 RKVLNXZTOXCKOD-UHFFFAOYSA-N 434.496 3.764 0 40 IHAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1nc(-c2ccccc2)n2c1CCCCC2 31545848 QFBXCRFHDQQQHV-UHFFFAOYSA-N 427.508 3.785 0 40 IHAB Cc1nn(C[C@@H](O)c2ccc(Cl)cc2)c(C)c1S(=O)(=O)N1CCc2ccccc21 31561155 BXMRHBWCGLYLPE-HXUWFJFHSA-N 431.945 3.638 0 40 IHAB COc1ccc(OC)c(-n2cnc3cc(C(=O)Nc4ccc(F)cc4F)ccc3c2=O)c1 32103258 PVFKFAAQESWIDW-UHFFFAOYSA-N 437.402 3.933 0 40 IHAB O=C(Nc1ccccc1)N1CCC[C@@H](C(=O)N2CCN(C/C=C/c3ccccc3)CC2)C1 32768142 MAENPSQWOYAYBV-GULCCPCXSA-N 432.568 3.788 0 40 IHAB O=C(Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1)[C@H]1CC(=O)N(C2CC2)C1 36396746 CZFJFWJLWMZFBG-LBPRGKRZSA-N 425.432 3.582 0 40 IHAB CCCCn1c(=O)c2ccccc2n(Cc2nc(-c3ccc(OC(C)C)cc3)no2)c1=O 38652601 VUSASMPHRGIHRS-UHFFFAOYSA-N 434.496 3.849 0 40 IHAB CC1(C)NC(=O)N(Cc2ccc(CNC(=O)CCCc3ccc(Cl)cc3)cc2)C1=O 48285991 OSBWHUDHNHCDHB-UHFFFAOYSA-N 427.932 3.810 0 40 IHAB O=C(NC[C@H](c1ccco1)N1CCN(c2ccccc2F)CC1)c1ccc(F)c(F)c1 56945909 FFBNHBKMPQIDRU-OAQYLSRUSA-N 429.442 3.990 0 40 IHAB Cc1ccc(NC(=O)Cn2cnc3c(cnn3-c3cc(Cl)ccc3C)c2=O)c(F)c1 57428308 WIPHUSRKATVUMF-UHFFFAOYSA-N 425.851 3.630 0 40 IHAB Cc1cc(C)c(NC(=O)CSc2ncnc3nc(N4CCOCC4)sc23)c(C)c1 57506921 LWILTQPMSLKLMX-UHFFFAOYSA-N 429.571 3.579 0 40 IHAB O=C(CNC(=O)c1ccc(Br)o1)NCCOc1ccccc1-c1ccccc1 60127619 NGNLXZBDVHFECE-UHFFFAOYSA-N 443.297 3.634 0 40 IHAB COc1ccc([C@H](CNC(=O)CN(C[C@H]2CCOC2)C2CC2)c2c[nH]c3ccccc23)cc1 60842721 LIOZTIFAUAGVBI-DVECYGJZSA-N 447.579 3.926 0 40 IHAB Cc1ccc(C)c(N2CCN(C[C@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@@H](O)[C@H]34)CC2)c1 70686740 LSGWJALQGUMIRM-STVSDHCOSA-N 438.612 3.710 0 40 IHAB CC(C)Oc1ccc(CN2CCN(c3c(F)cccc3[C@H](O)c3nccn3C)CC2)cc1 72340595 FIADGAUJDCZUJC-DEOSSOPVSA-N 438.547 3.750 0 40 IHAB COc1cc(CN2CCC[C@@H]2c2ccc(Nc3ncccc3C)cn2)ccc1OCC(N)=O 72353185 BMYAMSNZYFJUQY-OAQYLSRUSA-N 447.539 3.738 0 40 IHAB CC(C)NC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CN(C(=O)CC2CCCC2)CCO1 72389191 BBCQWZJQSOJVMC-MHZLTWQESA-N 449.595 3.994 0 40 IHAB COCCC(=O)N1CCC[C@](Cc2cccc(-c3cccc(F)c3)c2)(C(=O)N(C)C)C1 72391553 USEBBKPQDLKHPN-RUZDIDTESA-N 426.532 3.769 0 40 IHAB COc1cc(COCC2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)cc(OC)c1 77191484 MXFFJOODUQHEBD-JLHYYAGUSA-N 431.554 3.933 0 40 IHAB O=C(CN1CCc2nc(NC(=O)c3ccco3)sc2C1)Nc1ccc(F)c(Cl)c1 77192087 BVNOYKMEDJBDSB-UHFFFAOYSA-N 434.880 3.778 0 40 IHAB CN(Cc1nc(-c2cccnc2)no1)Cc1nc(-c2ccc(Br)s2)no1 79109437 ZFYDPFBFVIQEDB-UHFFFAOYSA-N 433.291 3.638 0 40 IHAB C[C@@H](OC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1)C(=O)c1ccccc1 100749695 HLKNOIIRDSUWSK-QPOLMMIQSA-N 441.483 3.672 0 40 IHAB COc1ccc(CCC(=O)N[C@H]2CCN(c3ccccn3)C2)cc1OCc1ccccc1 206826748 SCQMDAQISDIGRY-QFIPXVFZSA-N 431.536 3.997 0 40 IHAB C[C@H]1CN(C(=S)S[C@@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)C[C@@H](C)O1 215686847 ODOLBJNOHBQOGW-ISTVAULSSA-N 433.382 3.753 0 40 IHAB CC[C@@H](C(=O)N[C@@H](C)COc1ccccc1C)N(c1cccc(Cl)c1)S(C)(=O)=O 219093905 QSAQJVOVDAXIBH-LPHOPBHVSA-N 438.977 3.777 0 40 IHAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCCN(C)S(=O)(=O)c1ccccc1 219727344 YQFFLVVGPYJSSY-FQEVSTJZSA-N 430.570 3.814 0 40 IHAB COC(=O)c1cc(NC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)ccc1Cl 222569015 BPLNORTWSQJGHO-UHFFFAOYSA-N 436.917 3.617 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCc1cccc2ccccc12 222856749 JHLZXZPGCGVFKS-UHFFFAOYSA-N 438.549 3.953 0 40 IHAB CNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccc(OC)c(OC)c1 223320219 CZBWFPLRALQDGS-RUZDIDTESA-N 432.520 3.762 0 40 IHAB CCSc1nnc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)s1 224097739 BRERSRMSBWJOAS-UHFFFAOYSA-N 434.568 3.728 0 40 IHAB CCc1ccc(OCCNC(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)cc1 224118867 NFZSHAORABOCSA-UHFFFAOYSA-N 438.549 3.886 0 40 IHAB CCc1ccc(OCCNC(=O)[C@H](CC)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1 224301934 FIDGQCQJWAVWAS-FQEVSTJZSA-N 438.977 3.642 0 40 IHAB CCOC(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc2c(c1)OCCO2 224831126 SXQTWLYSADEKRP-UHFFFAOYSA-N 446.308 3.523 0 40 IHAB CS(=O)(=O)N(CC(=O)Nc1ccc(N2CCCC2)cc1)c1cccc(Cl)c1Cl 224906098 RZNRNBIXKBGXDO-UHFFFAOYSA-N 442.368 3.998 0 40 IHAB COc1ccc2c(c1)[C@@H](NC(=S)Nc1cccc(N(C)S(C)(=O)=O)c1)CC(C)(C)O2 225682728 KGYTWEFUDZYKQZ-SFHVURJKSA-N 449.598 3.680 0 40 IHAB Cc1ccccc1[C@H](NS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1)c1ccccc1 225828298 QSAVJVLGMZSVSE-QGZVFWFLSA-N 444.582 3.899 0 40 IHAB CC[C@@H]1c2ccc(O)c3c2[C@]24CCN(C)[C@H]1[C@]21C=C[C@@](OC)([C@H](C(C)(C)O)C1)[C@@]4(C)O3 253505434 WFNORGSBXRKKDN-IRUPWCJPSA-N 425.569 3.725 0 40 IHAB biogenic,in-vitro CC[C@H](Oc1cccc(OC)c1)C(=O)N1CCC(c2cncc(Nc3ncccn3)n2)CC1 257249075 JGRJYGPOKBKHJX-NRFANRHFSA-N 448.527 3.582 0 40 IHAB CC[C@@H](C(=O)N[C@H](C)c1ccc(F)cc1)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 260511628 QYLSFQKAZNBXJY-DYVFJYSZSA-N 442.940 3.910 0 40 IHAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3c(C)cc(C)cc3C)C2)c1 408551243 GWBHQCPUURPERC-GOSISDBHSA-N 446.569 3.668 0 40 IHAB O=C(COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)N1CCCC1 408561855 WCXJXIJUCHYNEJ-UHFFFAOYSA-N 429.325 3.795 0 40 IHAB C[C@H](Oc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)C(=O)NC1CCCCC1 408592065 NNZBZZXKPHEQSK-KRWDZBQOSA-N 428.554 3.654 0 40 IHAB C[C@H](c1ccccc1)N1C[C@H](C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)CC1=O 408656715 OCEPFOQVFUGDGZ-GDBMZVCRSA-N 434.414 3.797 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc(F)c3)c(C)c2)cc1 408675607 JNVVPANNMSYSTM-UHFFFAOYSA-N 444.484 3.961 0 40 IHAB CCC[C@@H](OC(=O)c1ccc2c(c1)C(=O)N(c1nnc(C)s1)C2=O)C(=O)c1ccccc1 408680676 DPMCKFBZKYYBJV-GOSISDBHSA-N 449.488 3.856 0 40 IHAB Cc1cc(Br)c(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)OCc2ccccc2)cc1C 408997802 IIHOPCUBXLWRCT-LPHOPBHVSA-N 447.329 3.776 0 40 IHAB CCOc1ccc2c(c1)[C@H](NC(=O)N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1)CCO2 681336676 RSRSZJGCKTZTNH-MGPUTAFESA-N 432.542 3.715 0 40 IHAB COc1ccc(C(=O)Cn2nnc(-c3ccccc3NC(=O)c3ccc(F)cc3)n2)cc1 1372706 TUJOJKAVTBYNEA-UHFFFAOYSA-N 431.427 3.623 0 40 IHAB C[C@H](NC(=O)CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O)c1ccccc1 2649665 BPVNUGGHFHDKNR-SIBVEZHUSA-N 427.504 3.554 0 40 IHAB CCOc1ccc2nc(NC(=O)CN(C)S(=O)(=O)c3ccc(Cl)cc3)sc2c1 3289220 WYDRWAPOSFSPRS-UHFFFAOYSA-N 439.946 3.608 0 40 IHAB O=C(COc1nncc2ccccc12)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 3429418 YWPULKWNJYMWAH-UHFFFAOYSA-N 432.402 3.503 0 40 IHAB C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 3567755 JWHOHGHHFQRAGW-HZPDHXFCSA-N 426.513 3.562 0 40 IHAB COc1ccc(C(=O)N(c2ccc3oc(=O)sc3c2)S(=O)(=O)c2cccs2)cc1 3654354 XRQKGAJIEWSBGF-UHFFFAOYSA-N 447.515 3.960 0 40 IHAB CCCN(CC(=O)Nc1ccccc1C)C(=O)COC(=O)CCc1c[nH]c2ccccc12 8650100 NRORHTFPZNUJGS-UHFFFAOYSA-N 435.524 3.829 0 40 IHAB COc1ccc(-c2nnc(SCC(=O)Nc3sc4c(c3C(N)=O)CCCC4)o2)cc1 8825822 AXOZAEYREJZGHZ-UHFFFAOYSA-N 444.538 3.515 0 40 IHAB O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)NC12CC3CC(CC(C3)C1)C2 9125436 KCRDYUOLHMZWRS-UHFFFAOYSA-N 443.547 3.567 0 40 IHAB C[C@H](Oc1ccc2c(C(F)(F)F)cc(=O)oc2c1)C(=O)NCc1ccc2c(c1)OCO2 9223895 XQWNTGFRLREOLB-NSHDSACASA-N 435.354 3.624 0 40 IHAB COc1ccc(OCc2nnc(SCC(=O)NC34CC5CC(CC(C5)C3)C4)n2C)cc1 9263922 ADRCDNVJRFAQEN-UHFFFAOYSA-N 442.585 3.580 0 40 IHAB CCOC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc2c1CCN(C(=O)OCC)C2 9347586 JRBZRKPZPPNFHN-UHFFFAOYSA-N 432.498 3.700 0 40 IHAB O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)N1CCC[C@H](c2nc3ccccc3s2)C1 9376957 LACNOOAHYNLRFB-HNNXBMFYSA-N 438.484 3.658 0 40 IHAB CCc1ccc(NC(=O)CSc2nc3nccnc3c(=O)n2Cc2cccs2)cc1 9405346 KDOYCGKYEGCHNP-UHFFFAOYSA-N 437.550 3.590 0 40 IHAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(Cc2cc3c(cc2Br)OCO3)C1=O 9412835 GJXKIWDOFCLCHN-IBGZPJMESA-N 435.249 3.674 0 40 IHAB O=C(COC(=O)Cn1c(C(F)(F)F)nc2ccccc21)Nc1ccccc1OC(F)F 9631257 BOLNJNUPQPKEJN-UHFFFAOYSA-N 443.328 3.838 0 40 IHAB O=C(c1ccccc1Oc1ccccc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 9868349 ZXNFCKDDOMLKQU-UHFFFAOYSA-N 440.496 3.765 0 40 IHAB Cc1ccccc1-c1nnn(CC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)n1 9884168 CQLNLFCSXRJFBH-UHFFFAOYSA-N 447.520 3.715 0 40 IHAB O=C(O)c1cccc(OS(=O)(=O)c2cc(Br)ccc2Br)c1 9960277 HQNAKWCXOADXNJ-UHFFFAOYSA-N 436.077 3.678 0 40 IHAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c1C 9971993 JOBKIPLYEJEMHH-LMMKCTJWSA-N 446.569 3.507 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(C(F)(F)F)c3)C2)cc1 9974474 WSPYQBQHFSGSFP-AWEZNQCLSA-N 442.459 3.753 0 40 IHAB CCOC(=O)Nc1ccc2c(COC(=O)c3cncc(Br)c3)cc(=O)oc2c1 11027891 WGNDQLODCGZZER-UHFFFAOYSA-N 447.241 3.876 0 40 IHAB Cc1ccc([C@H](Cc2ccsc2)NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)nc1 12229436 OGVWBWRSRAREAG-KRWDZBQOSA-N 445.591 3.627 0 40 IHAB COCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1cccc(F)c1 12409900 OERXFSYOAYDVIX-UHFFFAOYSA-N 430.501 3.976 0 40 IHAB NC(=O)CSc1nc(-c2ccccc2)c(NC(=O)c2cc3ccccc3oc2=O)s1 12442887 CRMJKXIFUDIPEL-UHFFFAOYSA-N 437.502 3.746 0 40 IHAB CCOC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@H]1c1ccccc1F 12522437 KEBPRLSOFWHNNG-FQEVSTJZSA-N 428.485 3.870 0 40 IHAB C[C@@H](NC(=O)Cc1cc2c(cc1Br)OCCO2)c1ccc(-n2ccnc2)cc1 12560380 DVRGHYOMEBZILO-CQSZACIVSA-N 442.313 3.826 0 40 IHAB COc1ccc(C)cc1Nc1nnc(SCC(=O)c2ccc3c(c2)NC(=O)CO3)s1 12606415 DSRFTOJNUFJVGX-UHFFFAOYSA-N 442.522 3.905 0 40 IHAB CNS(=O)(=O)c1ccc(C)c(C(=O)NC[C@@H]2CC3c4ccccc4C2c2ccccc23)c1 12737116 NNOKFWGSUSZNTN-HHDZUXODSA-N 446.572 3.930 0 40 IHAB CCOC(=O)c1ccsc1NC(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O 12791332 RUVCCZCJYJCVKV-UHFFFAOYSA-N 426.281 3.580 0 40 IHAB CC(C)(C)c1ccc(OC[C@@H](O)CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3)C2=O)cc1 12845428 CVKNBUNBAAMPLW-MBSDFSHPSA-N 430.932 3.844 0 40 IHAB Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccco3)C(=S)NC[C@@H]3CCCO3)cc12 13570809 QLLXMRBGMKJIMC-SFHVURJKSA-N 425.554 3.794 0 40 IHAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1 13990306 BLXDMWWLAWCZJY-UHFFFAOYSA-N 434.533 3.997 0 40 IHAB O=C(NC[C@H](c1ccco1)N1CCCC1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 14047930 CGMGQEHNZKWGFB-GOSISDBHSA-N 436.478 3.863 0 40 IHAB Cc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)o1 14187152 VOPHVSNQMMBTAH-UHFFFAOYSA-N 445.368 3.954 0 40 IHAB CS(=O)(=O)N(CCCC(=O)Nc1ccccc1Br)c1ccc(F)cc1 14399380 OWNCUTWRHYWOOS-UHFFFAOYSA-N 429.311 3.773 0 40 IHAB COc1cc(OC)c(N2C[C@H](C(=O)NCCSc3ccccc3)CC2=O)cc1Cl 15833388 GHSYERVDBZHGLI-CQSZACIVSA-N 434.945 3.619 0 40 IHAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2Oc2ccccc2)cc1 16188463 RFBYKLSIVMDYGW-UHFFFAOYSA-N 426.494 3.747 0 40 IHAB C[C@H](OC(=O)CCNC(=O)CCC(=O)c1ccccc1)C(=O)Nc1ccc2ccccc2c1 16695575 NFEIIICLBGHDHI-SFHVURJKSA-N 446.503 3.879 0 40 IHAB CCOc1cccc(C(=O)NC(=S)Nc2ccc(N3CCN(C)CC3)c(Cl)c2)c1 17098292 YZOLWHCQOMSDMV-UHFFFAOYSA-N 432.977 3.617 0 40 IHAB COc1ccccc1CN1CCO[C@@](Cc2cccc(-c3cccnc3)c2)(C(=O)N(C)C)C1 19580888 WHDJCSWUPOMYPK-HHHXNRCGSA-N 445.563 3.659 0 40 IHAB COc1cccc(CNC(=O)c2cnc([C@@H]3CCN(Cc4cccc(F)c4)C3)nc2C)c1 19758286 HXKBNHXFCZSAPY-HXUWFJFHSA-N 434.515 3.852 0 40 IHAB Cc1ccc(C(=O)NCc2ccc(-n3ccnc3)cc2)cc1S(=O)(=O)Nc1ccccc1 20485237 HPDCMYVONKUYIX-UHFFFAOYSA-N 446.532 3.912 0 40 IHAB O=C(c1cccc2c1C(=O)N(c1ccccc1)C2)N1CCC[C@H](c2nnc3ccccn23)C1 20738529 WBPDRXYQEPRUMK-IBGZPJMESA-N 437.503 3.910 0 40 IHAB Cn1c(=O)c2ccccc2n2c(CN3CCc4sccc4[C@@H]3c3cccs3)nnc12 21584923 LZXWJLCITMINHJ-HXUWFJFHSA-N 433.562 3.852 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)c1cc(C)c(C)cc1C 22539495 ILKXSSPOTIZXQB-CVEARBPZSA-N 438.977 3.818 0 40 IHAB C[C@H](C(=O)N(C)c1ccccc1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 23805222 ASXBSMBGWSTHFH-CQSZACIVSA-N 426.870 3.927 0 40 IHAB CC1=C(C(=O)N(C)C)[C@@H](c2ccc(Cl)cc2)NC(=S)N1c1ccc2c(c1)OCCO2 24926116 USQZNTMOARPSHK-HXUWFJFHSA-N 443.956 3.909 0 40 IHAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)N(C)Cc1ccc(Br)cc1 24980261 PCJZOHJGKMNZLJ-INIZCTEOSA-N 432.362 3.641 0 40 IHAB O=C(CCC(=O)N1CCN(C(=O)c2cccc(F)c2)CC1)c1ccc(Br)cc1 25745357 MHHKEJJPXJZSML-UHFFFAOYSA-N 447.304 3.536 0 40 IHAB O=C(c1ccc(Br)cc1)N1CCC(C(=O)N(Cc2cccnc2)C2CC2)CC1 28516265 BJOGDFCLMAWNQZ-UHFFFAOYSA-N 442.357 3.888 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)[C@H](C)Oc1ccccc1Cl 30754163 HCXXCMGSYFBOLB-AWEZNQCLSA-N 438.933 3.539 0 40 IHAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@@H](c1ccccc1C(F)(F)F)SCC(=O)N2 31812026 WDTFLXNRSWSCJC-OAHLLOKOSA-N 445.430 3.641 0 40 IHAB CN(Cc1c(F)cccc1Cl)C(=O)CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O 32636490 ULXKXXADTLDSPP-HSZRJFAPSA-N 443.906 3.611 0 40 IHAB Cc1ccc([C@H](NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c2ccccc2)cc1C 32759272 LLTNADYSJCLSCA-JOCHJYFZSA-N 429.563 3.775 0 40 IHAB CN(CC(=O)N1CCc2sccc2[C@H]1c1cccs1)S(=O)(=O)c1cccs1 32781502 XSIUEMDNOOWPDU-SFHVURJKSA-N 438.621 3.666 0 40 IHAB COCCOCC(=O)Nc1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1C 32915860 CIBGTJHOOYDIRT-UHFFFAOYSA-N 428.510 3.551 0 40 IHAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C(=O)NC[C@H](c2ccco2)N(C)C)cc1 33024272 OAIHWQJEJUXWOW-LJQANCHMSA-N 445.516 3.561 0 40 IHAB Cc1ccc(-n2ncc3c(=O)n(Cc4nc(-c5ccc(F)c(Cl)c5)no4)cnc32)cc1 33293064 JETFISMXYSRQOO-UHFFFAOYSA-N 436.834 3.781 0 40 IHAB CCOc1cc(C(=O)Nc2ccccc2OC)cc(I)c1OC 33656113 VEBFKYVWSNLEKR-UHFFFAOYSA-N 427.238 3.959 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(-c4ccc5c(c4)OCO5)o3)C2)c(C)c1 35596946 FSONELVFOLIXPH-QGZVFWFLSA-N 441.509 3.650 0 40 IHAB C/C(=C/C(=O)Nc1ccc(SCCC(=O)Nc2ccc3c(c2)OCCO3)cc1)C(=O)O 37018941 OBAHQSSXIDDUKG-OWBHPGMISA-N 442.493 3.548 0 40 IHAB COc1ccc(Cl)cc1N([C@@H](C)C(=O)N[C@H](C)c1ccc(C)cc1C)S(C)(=O)=O 38772448 DVWAOGBGFXRXFG-CVEARBPZSA-N 438.977 3.997 0 40 IHAB C[C@@H]1CN(C(=O)C2CCN(C(=O)CCc3cccc(Cl)c3Cl)CC2)C[C@@H](C)O1 40121016 NKAQERFPLJBUKR-HUUCEWRRSA-N 427.372 3.800 0 40 IHAB O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O 40153202 JZCIQZVVNMNCLZ-UHFFFAOYSA-N 442.827 3.501 0 40 IHAB COc1ccc(C(=O)Nc2cccc(C(=O)OCc3cc(=O)n4oc(C)cc4n3)c2C)cc1 41089623 ZDLQDBKFYQOCLI-UHFFFAOYSA-N 447.447 3.522 0 40 IHAB O=c1c2sccc2n(Cc2nc(-c3ccc(F)cc3)no2)c(=O)n1CCc1ccccc1 48987462 ASPPLXFYTJGVDS-UHFFFAOYSA-N 448.479 3.705 0 40 IHAB O=C(NC1CCN(C(=O)c2cn(-c3ccc(Cl)cc3)nn2)CC1)c1ccc(Cl)cc1 49406215 LRKVYFWNSFMNMP-UHFFFAOYSA-N 444.322 3.609 0 40 IHAB COc1cc(NC(=O)NCCO[C@H]2CCCC[C@@H]2C)c(C(=O)N2CCCC2)cc1OC 58133678 FUPPTNZLPMUBKW-LPHOPBHVSA-N 433.549 3.657 0 40 IHAB COc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(Cl)cc3Cl)n2)cc1OC 61719665 FMARZQMKQMKPFS-UHFFFAOYSA-N 434.279 3.873 0 40 IHAB COc1ccccc1NC(=O)C1CCN(C(=O)c2cc(C)cc(Br)c2O)CC1 84074613 QGVRTWMHQRWCAR-UHFFFAOYSA-N 447.329 3.963 0 40 IHAB O=C(NC[C@@H](O)c1cc2ccccc2s1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 84595003 KVNHLXSVQYEYTD-IEBWSBKVSA-N 426.513 3.742 0 40 IHAB COc1ccc(C(=O)C2CCN(S(=O)(=O)c3ccccc3OC(F)(F)F)CC2)cc1 89438693 XNUCTKXRCJWNLU-UHFFFAOYSA-N 443.443 3.877 0 40 IHAB CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(C(C)C)nn1-c1ccccc1 95480279 JUOPBPDHURAODF-JOCHJYFZSA-N 429.524 3.564 0 40 IHAB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3CC4)c2C(N)=O)C1 102335180 WMSULPLDRZCYDX-PMUIAIRXSA-N 430.570 3.850 0 40 IHAB CS(=O)(=O)N(Cc1ccc(C(=O)N2CCc3ccccc3C2)cc1)c1ccccc1F 222387716 CMRCIEISVJFDNW-UHFFFAOYSA-N 438.524 3.990 0 40 IHAB COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccc(C(C)C)cc3)no2)cc1OC 223582959 VZNDAFJLSKNJFM-UHFFFAOYSA-N 431.514 3.698 0 40 IHAB C[C@H](C(=O)NCCSC1CCCC1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 223850653 UNPFWZWJLBCJMT-GFCCVEGCSA-N 439.430 3.940 0 40 IHAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccco3)c(Cl)c2)cc1 224249186 CDHWJGOQTMDDPV-UHFFFAOYSA-N 434.901 3.697 0 40 IHAB O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 225571469 OLFDXPVOZFJCMT-UHFFFAOYSA-N 434.517 3.954 0 40 IHAB CCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(SC)c(NC(=O)C(C)C)c1 225879998 KBIHUNDQYHFKOU-UHFFFAOYSA-N 449.598 3.944 0 40 IHAB CN(C)c1ncc(-c2ccccn2)c([C@H]2CC[C@H](CNC(=O)CCc3ccno3)CC2)n1 257267008 MFNYXPKXKIILMH-IYARVYRRSA-N 434.544 3.615 0 40 IHAB O=C(CN1CC[C@]2(C1)CN(c1ccccc1)C(=O)CO2)Nc1ccccc1-c1ccccc1 257286581 PMCWNYPWUKZFCX-MHZLTWQESA-N 441.531 3.800 0 40 IHAB CCOc1ccccc1-c1cc(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCCC[C@@H]24)N3C(C)=O)[nH]n1 257300746 RVNQONLWPWBBHH-YMACDFMISA-N 436.556 3.870 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc4ccccc4c3)C2)cc1 260834606 NHNAIUXVTXULOC-NRFANRHFSA-N 438.549 3.566 0 40 IHAB Cc1ccc(C)c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H](C)C=CC[C@H]4C3=O)cc2)c1 408669357 WFCJDOVVKOOVHZ-LLBVYWAGSA-N 446.503 3.801 0 40 IHAB CCOc1ccc(S(=O)(=O)Nc2ccccc2Br)cc1NC(=O)CC 408696366 ALWGCZMDLPXYLH-UHFFFAOYSA-N 427.320 3.997 0 40 IHAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(SC)c2)C1 408713477 AQXDOLRBBLTJCA-CQSZACIVSA-N 438.546 3.596 0 40 IHAB O=C(CN1C(=O)S/C(=C/c2cccc(Cl)c2)C1=O)N1CCN(c2ccccc2)CC1 409017936 WLQUPLUTHFGVSO-XMHGGMMESA-N 441.940 3.725 0 40 IHAB C[C@H](C(=O)NCCSCc1c(F)cccc1Cl)N(c1ccccc1)S(C)(=O)=O 409026798 YPXHWHZYZIRRHL-CQSZACIVSA-N 444.981 3.683 0 40 IHAB O=C(CNS(=O)(=O)c1cc(Cl)ccc1Cl)Nc1cccc(C(F)(F)F)c1 409166936 HNVHIQWYZLYQSJ-UHFFFAOYSA-N 427.231 3.929 0 40 IHAB CCOc1cc(C(=S)N2CCOCC2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409242822 WADAZEDSJQXJEY-UHFFFAOYSA-N 428.554 3.727 0 40 IHAB Cc1cc(NS(=O)(=O)c2ccc(I)cc2)n(-c2ccccc2)n1 608926417 CPXVTXYWQIEJIZ-UHFFFAOYSA-N 439.278 3.586 0 40 IHAB CCc1cc(C(=O)N2CCC[C@@]3(CCCCCOc4ccccc4C(=O)NC3)C2)on1 643559331 GITJFAXMQPUJSB-XMMPIXPASA-N 425.529 3.842 0 40 IHAB CC(=O)N1CCCCCCCN(C(C)C)Cc2cc(C(=O)NCc3noc(C)n3)ccc21 643577113 FZERBALBHVQMQO-UHFFFAOYSA-N 441.576 3.835 0 40 IHAB O=C(CC(F)(F)F)Nc1ccc(NC(=O)c2nc(N3CCCC3)ncc2Cl)cc1 669895599 MOXHTLISJVPZTO-UHFFFAOYSA-N 427.814 3.873 0 40 IHAB O=C(CC1(N2Cc3ccccc3C2=O)CCOCC1)Nc1nnc(Cc2ccccc2)s1 1548347896 CXIWWWGVHHIBRT-UHFFFAOYSA-N 448.548 3.663 0 40 IHAB Cc1ccc(Br)cc1S(=O)(=O)N1CCN(c2ccc3ccccc3n2)CC1 1660629476 FKFCOQQYJMZCMP-UHFFFAOYSA-N 446.370 3.817 0 40 IHAB COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1Br)S(C)(=O)=O 817240 FOUYHXSMRRJVPO-UHFFFAOYSA-N 447.738 3.516 0 40 IHAB O=C(CSc1nnc(-c2ccncc2)n1Cc1ccco1)Nc1ccc(F)cc1F 2376636 YGEUBYFSPKBRMW-UHFFFAOYSA-N 427.436 3.990 0 40 IHAB CCOC(=O)[C@](NC(=O)c1ccccc1F)(C(F)(F)F)P(=O)(OCC)OCC 3103243 CZVHWVYOCJZFLZ-OAHLLOKOSA-N 429.303 3.643 0 40 IHAB O=C(CN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)cc1)NCCCc1ccccc1 3417284 DDWHTLJGXHKHGA-UHFFFAOYSA-N 446.956 3.873 0 40 IHAB NC(=O)CSc1nnc(Cc2csc(Nc3ccccc3)n2)n1Cc1ccccc1 6546895 LLETXOOVFYDBOH-UHFFFAOYSA-N 436.566 3.695 0 40 IHAB Cc1cc2nc3s/c(=C/c4cc5c(cc4Br)OCO5)c(=O)n3c2cc1C 6794172 XAPSNQMIGCAGJR-UBKPWBPPSA-N 429.295 3.565 0 40 IHAB COc1cccc(NC(=O)Cn2c3c(sc2=O)[C@@H]2c4ccccc4OC[C@@H]2CS3)c1 8752045 LNLQCSGDEHJTLP-YJYMSZOUSA-N 440.546 3.803 0 40 IHAB CC(C)C[C@H](C(=O)OCC(=O)Nc1cccc2ccccc12)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 8777999 CYXIWMMECLFHTN-JAXLGGSGSA-N 448.519 3.687 0 40 IHAB O=C(Oc1ccc(Br)cc1)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)c1 8874713 QBCOPAIFZCCVLQ-QXUMQBBKSA-N 438.277 3.980 0 40 IHAB CCOc1cc(/C=C/C(=O)OCC(=O)NCc2ccccc2OC)cc(Cl)c1OC 8883709 TYKFXPKULXWRBM-MDZDMXLPSA-N 433.888 3.629 0 40 IHAB Cc1ccc(C(=O)N(CCC2=CCCCC2)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)o1 9126297 YSTMWDJBXSOFKP-UHFFFAOYSA-N 448.523 3.606 0 40 IHAB Cc1ccc(N2CCCn3c2nc2c3c(=O)n(CCCc3ccccc3)c(=O)n2C)cc1C 9160331 NFDCCQAFUWBVFB-UHFFFAOYSA-N 443.551 3.688 0 40 IHAB COc1cc(Cl)c(C)cc1N1C(=O)[C@H]2[C@@H](C(C)=O)N3C=Cc4ccccc4[C@@H]3[C@@H]2C1=O 9348898 ZXOODZDVQKLXTF-GXRSIYKFSA-N 436.895 3.761 0 40 IHAB CCN(CC)C(=O)Cn1cc(C(=O)C(=O)NCc2ccc3[nH]c(C)cc3c2)c2ccccc21 9518844 LVAPRADQZHHNEI-UHFFFAOYSA-N 444.535 3.799 0 40 IHAB COc1ccc(NC(=O)COC(=O)CCC(=O)Nc2cc(Cl)ccc2Cl)cc1 9526025 KLGRJWIVHYLSKI-UHFFFAOYSA-N 425.268 3.903 0 40 IHAB C[C@@H](OC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)C(=O)Nc1ccc(Cl)cn1 9587923 NPBAJMPBXCYVKC-CQSZACIVSA-N 448.866 3.618 0 40 IHAB C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)NC(c2ccccc2)c2ccccc2)C1=O 9612830 CLXSVUPPCDAGEL-HHHXNRCGSA-N 441.531 3.836 0 40 IHAB O=C(Nc1cccc(F)c1)c1cn(C[C@H]2CCCO2)cc2c(=O)n(-c3ccccc3)nc1-2 9663626 VPGZFNXCQNDSRF-LJQANCHMSA-N 432.455 3.709 0 40 IHAB C[C@@H](NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)c1ccc2c(c1)OCCO2 9671812 VWEPHZFBYUPPOI-MRXNPFEDSA-N 427.460 3.648 0 40 IHAB COc1cccc(Nc2nc(Nc3ccc(F)c(Cl)c3)nc(N3CCOCC3)n2)c1 9708867 DRLMPIRDSWEHLY-UHFFFAOYSA-N 430.871 3.997 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)NC[C@H](c2cccs2)S(=O)(=O)c2ccccc2)c1 9741722 MPVXJSQXDFUZIX-HXUWFJFHSA-N 435.592 3.858 0 40 IHAB CCOC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)c(C)c1 10447296 CWPQJAXJTWYZFE-UHFFFAOYSA-N 444.553 3.907 0 40 IHAB CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O 10748465 ZVVCGFNPWQUFIO-POESELISSA-N 443.544 3.571 0 40 IHAB Cc1nc2ccc(Cl)cc2cc1C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 11452196 SJWFZBICPCFYHS-UHFFFAOYSA-N 449.985 3.841 0 40 IHAB CCOc1ccccc1-n1nnc(-c2nc(-c3ccc(Br)cc3)no2)c1N 11691842 FSEMKDXJUPLRAO-UHFFFAOYSA-N 427.262 3.728 0 40 IHAB CCOc1ccc(-n2ccc(=O)c(C(=O)Nc3nonc3-c3ccc(Cl)cc3)n2)cc1 11917032 GEJAKATUKIBAAR-UHFFFAOYSA-N 437.843 3.587 0 40 IHAB C[C@H](Sc1ccc(S(=O)(=O)N2CCCC2)cn1)C(=O)Nc1cccc(Cl)c1 12517418 PVEZODUFAGQCSC-ZDUSSCGKSA-N 425.963 3.639 0 40 IHAB COc1ccccc1CC(=O)Nc1c(C(=O)N2CCOCC2)sc2nc(C)cc(C)c12 12523437 ASRJRFGEJRHLTE-UHFFFAOYSA-N 439.537 3.575 0 40 IHAB CC(=O)N1CCc2cc(NC(=O)CNc3ccccc3C(=O)NCc3ccccc3)ccc21 12543549 OFFOSEGLCVPZFV-UHFFFAOYSA-N 442.519 3.576 0 40 IHAB CCOc1ccc2nc(NC(=O)CN3CCC(NC(=O)C4CCCCC4)CC3)sc2c1 12644580 OBWNPEGLPFVNMT-UHFFFAOYSA-N 444.601 3.794 0 40 IHAB COc1ccc(NC(=O)CN(C)C(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)cc1 12688444 WFCPXLVQWSBJBS-QHCPKHFHSA-N 444.487 3.860 0 40 IHAB Cc1ccc(NC(=O)c2nnc(CSc3nnnn3-c3ccc(C)c(C)c3)s2)cc1 12753101 SNKBNICEGXZTAB-UHFFFAOYSA-N 437.554 3.984 0 40 IHAB CCC(C)(C)NC(=O)[C@@H](c1cccc(OC)c1)N(C(=O)c1csnn1)C1CCCC1 12873747 MTZSETIEVOOSKZ-LJQANCHMSA-N 430.574 3.978 0 40 IHAB CCN(CC)C(=O)[C@H](c1ccccc1)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 12934919 WHWQVFDSPNBWKN-DEOSSOPVSA-N 436.552 3.962 0 40 IHAB COc1cc(OC)c(OC)cc1CNS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 12942488 ZXYFUPVXEAEMED-UHFFFAOYSA-N 439.839 3.863 0 40 IHAB C[C@H](NC(=O)CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccccc1 13069856 QDELLYLLMOKRRG-AWEZNQCLSA-N 426.870 3.753 0 40 IHAB O=c1c(-c2ccc(Br)cc2)coc2cc(OCCN3CCOCC3)ccc12 13608717 VYCKJZNQJRRPIR-UHFFFAOYSA-N 430.298 3.934 0 40 IHAB biogenic COc1cc(/C=C/C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)ccc1OCC(N)=O 14110734 LWBMSFLEFISSII-LVANHBEFSA-N 430.504 3.673 0 40 IHAB Cc1c(C(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)oc2ccc(F)cc12 14181756 HFRIQGNIWLQXFI-UHFFFAOYSA-N 429.879 3.930 0 40 IHAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)C1CCN(c2nc3ccccc3o2)CC1 14526286 ZIVSZBLOTJYDDX-QGZVFWFLSA-N 430.512 3.845 0 40 IHAB Cc1nnc2sc(-c3ccccc3NC(=S)NC(=O)c3ccc(Cl)cc3)nn12 16363530 GULSASSQAYKJOJ-UHFFFAOYSA-N 428.930 3.941 0 40 IHAB COc1cccc2sc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)nc12 17245473 ROBJJLGUVDRCNM-AWEZNQCLSA-N 445.566 3.978 0 40 IHAB COc1cc(C(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)ccc1OC(F)F 18948211 ZVAYXAQZIDCVOM-UHFFFAOYSA-N 446.406 3.768 0 40 IHAB COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@H]3N3CCCN23)cc1 19172552 OXUAIQLLSKQZEX-FHWLQOOXSA-N 432.307 3.538 0 40 IHAB Cc1ccnn1CCC(=O)N1CCC[C@](Cc2ccccc2-c2cccs2)(C(N)=O)C1 19238428 PLIDBSSRBVBWHV-XMMPIXPASA-N 436.581 3.647 0 40 IHAB CC(=O)Nc1ccc(Oc2cc(C)nc([C@@H]3CCCN(C(=O)c4cnccn4)C3)c2)cc1 19570355 RTGHKAONFQHFBW-GOSISDBHSA-N 431.496 3.951 0 40 IHAB COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCCN(C(=O)c3oc(C)nc3C)C2)c1 19693985 QIFLMGDDZGMFBR-SFHVURJKSA-N 435.528 3.843 0 40 IHAB CNc1cc([C@H]2CC(=O)N(Cc3ccccc3)C2)nc(CN(C)Cc2ccc(F)cc2)n1 19697379 PSRUQEXDDMZLDG-FQEVSTJZSA-N 433.531 3.806 0 40 IHAB COc1ccc(CC(=O)N2CCC(Cc3cccc(-c4cccnc4)c3)(C(N)=O)CC2)cc1 19700298 QYPUXLULIOIMRY-UHFFFAOYSA-N 443.547 3.637 0 40 IHAB Cc1nc([C@@H]2CCCN(Cc3ncc[nH]3)C2)nc2c1CCC(=O)N2Cc1ccccc1F 19741661 DBXQKUJJZXVTQP-GOSISDBHSA-N 434.519 3.506 0 40 IHAB CCOc1ccc(CNC(=O)CN2c3ccc(F)cc3-c3ccccc3S2(=O)=O)cc1 20492815 FZWSDSDHZOSSIO-UHFFFAOYSA-N 440.496 3.717 0 40 IHAB COc1ccccc1N1CCN(C(=O)Cn2ccc3cc(Br)ccc32)CC1 20736493 GQNYNKRNYCJDGH-UHFFFAOYSA-N 428.330 3.761 0 40 IHAB COc1ccc(-c2nc3n(n2)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)C(=O)N3)cc1 20745965 IUKZJWAACVPHFZ-CQSZACIVSA-N 432.267 3.783 0 40 IHAB Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)N[C@@H](C)c1ccc(F)cc1 22537278 IONYJXZATVPFBE-KRWDZBQOSA-N 434.533 3.565 0 40 IHAB Cc1ccc2nc(CN3CCCN(Cc4ccc(C(F)(F)F)cc4)CC3)cc(=O)n2c1 22830489 YNERNRBOJKZQFJ-UHFFFAOYSA-N 430.474 3.730 0 40 IHAB CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)CCCn1c(=O)oc2ccccc21 22916933 IXVBBASIJGGTRI-UHFFFAOYSA-N 436.295 3.779 0 40 IHAB CCOC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(OCC)cc2)CC1 23174841 MDQDYOZQYURWBQ-NRFANRHFSA-N 430.932 3.801 0 40 IHAB Cc1ccccc1[C@@H](OC[C@@H](O)CN1C(=O)NC2(CCC(C)CC2)C1=O)c1ccccc1 24089764 PEEUPWIFUCEXOQ-CWFNEYPQSA-N 436.552 3.963 0 40 IHAB COc1ccc(C(=O)COC(=O)c2ccc(N3CCCC3=O)cc2)cc1Br 24173466 CUBQCCIKKSEBPI-UHFFFAOYSA-N 432.270 3.624 0 40 IHAB O=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1cccc(Nc2ncccn2)c1 24489871 ZWMPRWRGMAPUIF-UHFFFAOYSA-N 449.492 3.544 0 40 IHAB Cc1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)c(C)s1 32532520 FYALZEFQZJPOGI-CYBMUJFWSA-N 428.601 3.586 0 40 IHAB CN(CCOc1cccc(Cl)c1)C(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 32788243 CWKOMXZKZDDOSC-UHFFFAOYSA-N 438.867 3.880 0 40 IHAB CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)Cc1coc2c(C)c(C)ccc12 32999586 PMMFXSQUWHVOHB-UHFFFAOYSA-N 449.507 3.895 0 40 IHAB CCC(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2ccc(Cl)cc2)nc1O 35378031 UDKFIMNYRQGRJM-UHFFFAOYSA-N 443.916 3.977 0 40 IHAB CSc1ccccc1NC(=O)C(=O)NCCc1csc2nc(-c3cccs3)nn12 38669865 JNMUQSUDQGFLPW-UHFFFAOYSA-N 443.579 3.539 0 40 IHAB O=C(CCS(=O)(=O)c1ccccc1)Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2 38943522 UUUCXWZQQVDWLV-UHFFFAOYSA-N 440.546 3.754 0 40 IHAB CCN1CCN(c2oc(-c3cccc(C)c3)nc2S(=O)(=O)c2ccc(C)cc2)CC1 39404189 PJIUTGWDPWFLGC-UHFFFAOYSA-N 425.554 3.933 0 40 IHAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 44880221 FWSWKMJAEJVASQ-HXUWFJFHSA-N 440.525 3.690 0 40 IHAB Cc1ccc([C@@H]2NC(=O)N(CC(=O)Nc3ccccc3C(F)(F)F)C3=C2C(=O)OC3)cc1 49402928 LKJSCRKGFYIWOQ-IBGZPJMESA-N 445.397 3.530 0 40 IHAB CN1CCN(c2ccc(C(F)(F)F)cc2NC(=O)N2CCO[C@@H]3CCCC[C@H]32)CC1 58158812 NAGQDLNGZSWQAK-RTBURBONSA-N 426.483 3.633 0 40 IHAB O=S(=O)(NC[C@@H]1CCN(c2ccc(F)cc2)C1)c1cc(Br)ccc1F 58307371 ISEQJTGZPNHBCC-LBPRGKRZSA-N 431.302 3.532 0 40 IHAB Cc1cccc(C)c1OC[C@H](O)CNc1cnn(-c2ccc(F)cc2F)c(=O)c1Cl 60082024 MYKVZROCXGVPBP-OAHLLOKOSA-N 435.858 3.633 0 40 IHAB COc1ccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccccc2)c(OC)c1 67245064 NTSWBFKVZSSROY-UHFFFAOYSA-N 432.523 3.843 0 40 IHAB O=C(CN1CCC[C@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1)N1CCOCC1 72357637 UFJNYJISLCKZFS-NRFANRHFSA-N 433.474 3.687 0 40 IHAB CC(=O)Nc1ccc(C(=O)N2CCC[C@H](c3ccnc(Nc4ccc(C)cn4)n3)C2)cc1 72378003 AILUVXRLOLFCNO-IBGZPJMESA-N 430.512 3.902 0 40 IHAB O=C(CCCOc1ccccc1Br)NCCCN1C(=O)COc2ccccc21 78874700 VJFZFOOKFDYOFO-UHFFFAOYSA-N 447.329 3.540 0 40 IHAB O=C1C[C@H](Sc2nnc(-c3ccccc3O)o2)C(=O)N1c1ccc(Br)cc1 100703777 RRTRYLVVJXCDTO-AWEZNQCLSA-N 446.282 3.629 0 40 IHAB Cc1ccc(C)c(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)C(=O)c2ccccc2)c1 102153550 BXAVQEOUINVEDR-DRRJAYDASA-N 426.516 3.961 0 40 IHAB CCn1ncc(-n2c(S)nnc2C23C[C@@H]4C[C@@H](C2)CC(n2cnc(Cl)n2)(C4)C3)c1C 102645369 PDMLGMDWTBRCIW-NILVNCKXSA-N 444.996 3.573 0 40 IHAB CCOC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1cc(Cl)ccc1Cl 113894343 HMOXZVUKZUHPSS-UHFFFAOYSA-N 448.324 3.769 0 40 IHAB O=C(NCCCc1ccc(Cl)cc1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 219753868 WVHZNCKPYPIMQD-LJQANCHMSA-N 441.380 3.896 0 40 IHAB CC[C@H](C(=O)N(C)Cc1ccc(OC)cc1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O 222497478 ITXPCSRJEKCXAY-LJQANCHMSA-N 442.940 3.691 0 40 IHAB Cc1ccc(-c2nnc(NC(=O)[C@@H](C)N(c3ccc(C)cc3)S(C)(=O)=O)s2)cc1 223506886 MMCWARLMDMMJBR-OAHLLOKOSA-N 430.555 3.615 0 40 IHAB CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)COc1ccccc1OC 223675129 PPEARUMIKZHPQM-FQEVSTJZSA-N 426.557 3.839 0 40 IHAB COc1cc(OC)cc(OCC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)(C)C)c1 224076832 DQSZNEKWJRPWKZ-INIZCTEOSA-N 446.519 3.554 0 40 IHAB O=C(NCC1(c2ccc(F)cc2)CCCC1)c1cccc(N2CCCCS2(=O)=O)c1 224395472 XJEGKJMAACREKM-UHFFFAOYSA-N 430.545 3.998 0 40 IHAB Cc1ccc(N(Cc2ccc(C(=O)NCCOc3ccccc3)cc2)S(C)(=O)=O)cc1 224645003 KBHLRSDYKFTRQI-UHFFFAOYSA-N 438.549 3.770 0 40 IHAB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N(C)c2ccccc2)cc1 226010331 BDYWJMXCKRGCPF-UHFFFAOYSA-N 438.549 3.592 0 40 IHAB C[C@@]12C[C@H]3[C@H](Cc4ccccc4)N[C@@H]1CCCC[C@@H]2N3C(=O)CNC(=O)c1ccccc1 257201594 AIGNPEPXIRJJGT-RTCYWULBSA-N 431.580 3.549 0 40 IHAB Cc1cc(Nc2ncccc2C)cc([C@H]2CN(C(=O)COc3ccccc3F)CCO2)n1 257281967 ORTNNYNORHMLNI-JOCHJYFZSA-N 436.487 3.955 0 40 IHAB COc1cccc(O[C@H]2CCN(C(=O)COc3ccccc3C(C)(C)C)CC[C@@H]2O)c1 257308685 TXRYPLCZDMPGFB-GMAHTHKFSA-N 427.541 3.802 0 40 IHAB C[C@]1(C2CCN(Cc3ccccc3OCC(=O)O)CC2)CN(Cc2ccccc2)C(=O)O1 257343237 ZSBAYSVUOSHAIJ-RUZDIDTESA-N 438.524 3.773 0 40 IHAB COc1ccc(-c2nc([C@H]3CC[C@H](CNC(=O)[C@@H]4CC45CCC5)CC3)[nH]c2C(N)=O)cc1 257344765 ZYPCCSSRKTXFAP-IEZWGBDMSA-N 436.556 3.764 0 40 IHAB CCOCCCNS(=O)(=O)c1ccc(OCC)c(NC(=O)c2ccc(Cl)cc2)c1 408562202 XZHWIWLBDWHWFU-UHFFFAOYSA-N 440.949 3.696 0 40 IHAB CCCCCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)c3cccs3)CC2=O)cc1 408637910 NXOXPOVVNRCUGK-KRWDZBQOSA-N 443.521 3.874 0 40 IHAB Cc1cccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCCCc2ccccc2)c1 408709655 DLHGQLMCYFTMNS-UHFFFAOYSA-N 429.520 3.613 0 40 IHAB O=C(NCc1ccc(C(=O)N2CCO[C@@]3(CCc4ccccc43)C2)cc1)c1cccs1 512189272 JFLNRJLYFAFYEX-VWLOTQADSA-N 432.545 3.992 0 40 IHAB COc1cccc(-c2ccc3c(c2)O[C@H]2CN(Cc4c(C)noc4C)C[C@H]2N(C)C3=O)c1 514289604 MBLHQKNOXJHVJF-VWNXMTODSA-N 433.508 3.684 0 40 IHAB biogenic,in-vitro FC(F)(F)c1ccc(-n2cc(-c3nc(-c4ccc(CN5CCCC5)cc4)no3)nn2)nc1 544905144 NIQWDPBIXWUCHF-UHFFFAOYSA-N 441.417 3.994 0 40 IHAB CC(C)(CNC(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C)c1ccccc1Cl 590259903 OBVYKLHRTPEGLM-XMMPIXPASA-N 439.943 3.733 0 40 IHAB CCc1cccc2c(C3CCN(C(=O)N[C@@H]4C[C@H](C)N(c5cnn(C)c5)C4=O)CC3)c[nH]c12 608735644 YLZMCUVHDHGTQD-KSFYIVLOSA-N 448.571 3.547 0 40 IHAB O=C(CCc1ccccc1)N[C@H]1CCC12CCN(C(=O)Cc1noc3ccccc13)CC2 1565554983 MRBRTSYRKROUBX-QHCPKHFHSA-N 431.536 3.891 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccncc2)c2cc(Cl)ccc2C)cc1 886888 AWDUQNLYFKUASR-UHFFFAOYSA-N 443.956 3.864 0 40 IHAB CCc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=S)NC[C@H]3CCCO3)cc2c1 916815 IWUZBHROTPMKGX-OAQYLSRUSA-N 436.581 3.541 0 40 IHAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)n2c(s/c(=C\c3ccoc3)c2=O)=N1 1012045 BBBDYXPIASBCAD-SQWSFHKJSA-N 447.541 3.528 0 40 IHAB COc1ccccc1-c1nc2s/c(=C\c3ccc(OCc4ccccc4)cc3)c(=O)n2n1 2359012 ZGCDMCAGBRPROR-JCMHNJIXSA-N 441.512 3.953 0 40 IHAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N(CCc1ccccc1)Cc1ccccc1)C2=O 2630833 ZOQOAIPUUVURJI-RXFWQSSRSA-N 433.552 3.759 0 40 IHAB C[C@H](Oc1cccc(Cl)c1)C(=O)NCCCNC(=O)[C@H](C)Oc1cccc(Cl)c1 2753862 XOEZGAXDDMLUHT-GJZGRUSLSA-N 439.339 3.851 0 40 IHAB C[C@@H](C(=O)N(C1CC1)C1(C(=O)Nc2ccccc2)CCCC1)N1C(=O)c2ccccc2C1=O 3258344 ZZVASJSHDOGXPS-KRWDZBQOSA-N 445.519 3.614 0 40 IHAB CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)Cc1cc(=O)n2ccsc2n1 3420530 WYDRCJJFCSCJTJ-UHFFFAOYSA-N 425.341 3.914 0 40 IHAB CCOCCCNC(=S)N(Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCCC1 4160796 YUBHJKWKZVKCQI-UHFFFAOYSA-N 431.602 3.973 0 40 IHAB CC(=O)c1ccc(OCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)cc1 8923319 ADDGMADMMRZRPK-UHFFFAOYSA-N 444.553 3.780 0 40 IHAB CCOc1ccccc1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1 9094860 UCBQBXRTLMDTLV-JOCHJYFZSA-N 438.549 3.922 0 40 IHAB Cc1ccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(Cc3ccccc3Cl)c(=O)n2C)cc1 9209566 YIGMEAHSTIEJRA-INIZCTEOSA-N 449.942 3.695 0 40 IHAB COc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2ccc(C)cc2)cc1Cl 9238596 XLOQVJDZDFNLSW-MSOLQXFVSA-N 429.933 3.955 0 40 IHAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1nnc(Nc2cccc(C)c2)s1 9338599 OKFPXKABPNHLPS-QGZVFWFLSA-N 442.566 3.583 0 40 IHAB Cc1cc(O[C@@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)c2c(C)c(C)c(=O)oc2c1 9348038 JWQUWRABOOCAJZ-SFHVURJKSA-N 438.499 3.973 0 40 IHAB Cc1cc(C(=O)Cn2c(CS(C)(=O)=O)nc3ccccc32)c(C)n1Cc1ccco1 9366829 BXAWNPYRDDDTSJ-UHFFFAOYSA-N 425.510 3.523 0 40 IHAB O=C(Nc1nnc(Cc2ccccc2)s1)c1cccc(S(=O)(=O)N2CCCCC2)c1 9632284 OGPZRBUVJLZBGR-UHFFFAOYSA-N 442.566 3.556 0 40 IHAB O=C(Oc1ccc(-c2nnco2)cc1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 9882268 LHRGWRUVDXEVOO-UHFFFAOYSA-N 447.472 3.707 0 40 IHAB CCN(Cc1cc2ccc(C)cc2nc1Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 10431394 RHZPCTJLMLBTCE-UHFFFAOYSA-N 449.942 3.704 0 40 IHAB COc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)Nc3cccc(Cl)c3)cc2c1 11340495 BIXWDTYLLZNBNE-UHFFFAOYSA-N 444.988 3.951 0 40 IHAB Cc1nc(Oc2ccccc2)cc(N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)n1 12225091 CUWFYJFIEKPSDR-UHFFFAOYSA-N 444.944 3.742 0 40 IHAB Cc1ccc(-c2ccccc2CC2(C(=O)N[C@H]3CCS(=O)(=O)C3)CCOCC2)c(C)c1 12231622 VQYBYKRLOJWGFH-NRFANRHFSA-N 441.593 3.613 0 40 IHAB CCc1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)COc4ccccc4OC)C3)cc2n1 12276557 MUZCRAJYYPRMJV-CQSZACIVSA-N 448.445 3.714 0 40 IHAB O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1cc2c(nc3sccn32)s1 12547693 WMNDBTLRFILOEV-INIZCTEOSA-N 430.530 3.553 0 40 IHAB CN(C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1)c1ccccc1 12552958 HVKQMUFOLFTMCV-ZDUSSCGKSA-N 443.388 3.574 0 40 IHAB COc1cc(OC)c(N2C[C@@H](C(=O)N(C)c3nc4ccccc4s3)CC2=O)cc1Cl 12791201 QIICYWLCSVETAA-LBPRGKRZSA-N 445.928 3.983 0 40 IHAB COc1ccc(NC(=O)CCCN(C)S(=O)(=O)c2ccc(C(C)=O)cc2)cc1Cl 12798065 IDKXSXSWYGRIAX-UHFFFAOYSA-N 438.933 3.591 0 40 IHAB CCOc1ccc2oc(C(=O)N3CCN(CC(=O)Nc4cccc(F)c4)CC3)c(C)c2c1 12819406 SAIQRZNIWSWMCZ-UHFFFAOYSA-N 439.487 3.676 0 40 IHAB O=S(=O)(Nc1cc(Cl)ccc1Cl)c1ccc(S(=O)(=O)N2CCCC2)cc1 12905232 RYPXRUUDBLKNEQ-UHFFFAOYSA-N 435.354 3.579 0 40 IHAB Cc1cc(C)c(NC(=O)CNC(=O)COC(=O)/C=C/c2ccc(OC(F)F)cc2)c(C)c1 12935405 MMYSVGOZGMCWPK-RMKNXTFCSA-N 446.450 3.525 0 40 IHAB CSc1cccc(NC(=O)CSc2nc(CN3CCOCC3)nc3ccccc23)c1 12977236 XYXBGRWNNNMGIT-UHFFFAOYSA-N 440.594 3.915 0 40 IHAB CC[C@H](C)NC(=S)N(Cc1cc2cc(C)ccc2n2nnnc12)CC(C)(C)NC(C)C 13119415 BCTWPGWWAKCKBX-KRWDZBQOSA-N 441.649 3.838 0 40 IHAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)O[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2 13145508 URFRVXZQFJAWOL-AWEZNQCLSA-N 441.871 3.806 0 40 IHAB COc1cc([C@H]2CC(=O)Nc3c2cnn3-c2ccc(Br)cc2)cc(OC)c1O 14000874 BSVAGYYAFDNUFB-CQSZACIVSA-N 444.285 3.832 0 40 IHAB Cc1ccc(/C=C/S(=O)(=O)NCC(=O)OCc2csc(-c3ccc(F)cc3)n2)cc1 14199519 RTLIRVOSUPVWAR-ZHACJKMWSA-N 446.525 3.891 0 40 IHAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CSc2nnc(N)s2)cc1 15156469 LKMDGANDTYPATK-QGZVFWFLSA-N 425.539 3.599 0 40 IHAB Cc1ccc(NC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1Cl 15415154 TXJMYFCTAVZDJS-UHFFFAOYSA-N 438.933 3.507 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(Br)cc1F 15579489 KETBFERVTSNVII-UHFFFAOYSA-N 427.295 3.625 0 40 IHAB Cc1ccc(N2C(=O)[C@@H]3[C@H]4c5ccccc5C=NN4[C@H](C(=O)C(C)(C)C)[C@@H]3C2=O)c(C)c1 15987309 LUTMBYDCPBWKOP-CBPXPLCBSA-N 429.520 3.797 0 40 IHAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)cc1Cl 16188015 FMYWMIFOPCTBOU-UHFFFAOYSA-N 437.732 3.915 0 40 IHAB O=C(CN1c2cccc3cccc(c23)S1(=O)=O)OCc1cc(-c2cccs2)on1 18355521 KWOJALJMRQHSOY-UHFFFAOYSA-N 426.475 3.808 0 40 IHAB O=C(NCc1ccc(F)cc1)c1cc(C2CCN(C(=O)c3ccccc3F)CC2)no1 19347464 WAGPGEITFQTBMY-UHFFFAOYSA-N 425.435 3.903 0 40 IHAB CCCN1CCN(C(=O)c2cc[nH]n2)C[C@@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 19502744 ZANUNLGMQVPWTO-HXUWFJFHSA-N 434.515 3.769 0 40 IHAB CN(C)c1ncc(CN2CC[C@]3(C)[C@H]2CCCCC(=O)N3Cc2ccc(F)cc2)cn1 19713673 SMVGHPVDXBULDS-ZJSXRUAMSA-N 425.552 3.618 0 40 IHAB O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NCc1ccc(F)cc1 20491612 ZSRAXSRLYRHDKT-UHFFFAOYSA-N 432.904 3.991 0 40 IHAB COc1ccc2[nH]cc([C@@H](C(=O)O)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c2c1 20737396 PEABIIVPQAZMGJ-IBGZPJMESA-N 434.418 3.538 0 40 IHAB COc1ccc(C)c2sc(N(CCN3CCOCC3)C(=O)c3ccc(C)cc3)nc12 20743869 UKTCHFCGZYBANV-UHFFFAOYSA-N 425.554 3.901 0 40 IHAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(F)c(Cl)c2)c1 22229874 LOXVRDPECSMIPI-KRWDZBQOSA-N 426.897 3.588 0 40 IHAB COc1cccc(N(CC(=O)N(C)C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)c1 22431077 RVQFNTMYKCKZHH-UHFFFAOYSA-N 430.570 3.990 0 40 IHAB CC[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 22515936 AYEFFSUYEUMURS-LJQANCHMSA-N 449.960 3.650 0 40 IHAB Cc1c(C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)oc2ccc(Cl)cc12 23012932 FAELKINQNQYQHQ-UHFFFAOYSA-N 427.888 3.918 0 40 IHAB CC(C)(C)OC(=O)NC1(CNC(=O)CCn2c(=O)oc3ccccc32)CCCCCC1 24494910 QDNUODILOCWTEL-UHFFFAOYSA-N 431.533 3.719 0 40 IHAB Cc1ccccc1SCC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 25053327 LURNJVZBOVWAAB-UHFFFAOYSA-N 430.595 3.851 0 40 IHAB Cc1cc(C(=O)Cn2cnc3ccsc3c2=O)c(C)n1C[C@H]1COc2ccccc2O1 26018568 FPJCUIGHUOIEKV-INIZCTEOSA-N 435.505 3.599 0 40 IHAB O=C(C[C@@H]1C(=O)Nc2ccccc2N1C(=O)COc1ccccc1F)Nc1ccccc1 27017599 RAJGTDFRRKCUOW-HXUWFJFHSA-N 433.439 3.587 0 40 IHAB Cc1nn(-c2ccccc2)c2sc(C(=O)O[C@@H](C)C(=O)N3C[C@H](C)O[C@H](C)C3)cc12 28671491 VYJIQIVRAICGTH-LZWOXQAQSA-N 427.526 3.577 0 40 IHAB Cc1ccccc1[C@@H](CC(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1Cl)NC(N)=O 32796544 ZNLZBSVYJOBKSL-WOJBJXKFSA-N 445.947 3.947 0 40 IHAB Cc1c(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3C)c(=O)n(-c2ccccc2)n1C 36616219 SWELVQQHMHYJEX-UHFFFAOYSA-N 438.491 3.685 0 40 IHAB Cc1ccc(-n2ncc3c(C(C)C)nnc(SCC(=O)NC[C@H]4CCCO4)c32)cc1 38488223 MAZGHBHMJDJPRP-QGZVFWFLSA-N 425.558 3.635 0 40 IHAB CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)O2 38853512 QDQQZMSLYZMUFF-SFHVURJKSA-N 440.924 3.942 0 40 IHAB Cc1nn(C)c(C(N)=O)c1NC(=O)c1cc2sccc2n1Cc1ccccc1Cl 40267538 HZLIHDSUTDAQKX-UHFFFAOYSA-N 427.917 3.798 0 40 IHAB Cc1nnc2ccc(S(=O)(=O)N(Cc3cccc(F)c3)c3ccc(F)c(F)c3)cn12 49408586 DULMXSLBRVPLMJ-UHFFFAOYSA-N 432.427 3.851 0 40 IHAB Cc1ccc(Cn2cc(-c3noc(C(=O)Nc4ccc(Br)cc4)n3)nn2)cc1 49410310 AELSFWMQRYXNSU-UHFFFAOYSA-N 439.273 3.700 0 40 IHAB CCc1cc(=O)n(CC(=O)Nc2cc(Cl)c(OC)cc2OC)c(-c2ccc(F)cc2)n1 57508715 WGVALJBHONNMQR-UHFFFAOYSA-N 445.878 3.921 0 40 IHAB CCC[C@H](c1nnnn1Cc1ccc2c(c1)OCO2)N1CCN(c2cc(C)ccc2C)CC1 57671371 IKDPNPYJAJHAAP-OAQYLSRUSA-N 448.571 3.730 0 40 IHAB Cc1nn(C)cc1S(=O)(=O)N1CCC(c2cccc(Cc3ccc(Cl)cc3)n2)CC1 72350164 UUDDTHGXKMJQCN-UHFFFAOYSA-N 444.988 3.936 0 40 IHAB CCN1CCN(C(=O)c2ccc(N(C)C)cc2)[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O 72351885 WYFPZRMZMHTNOJ-RUZDIDTESA-N 442.563 3.730 0 40 IHAB COc1cc2c(cc1CN1CCC[C@H](c3ccc(Nc4cnccn4)cn3)C1)OCCO2 72353460 BUSPTUGPFFAAFU-KRWDZBQOSA-N 433.512 3.775 0 40 IHAB Cc1cc(=O)c(OCc2ccccc2)cn1CC(=O)NC1CCN(Cc2ccccc2)CC1 72403791 NPIIHGMWOCEDHD-UHFFFAOYSA-N 445.563 3.517 0 40 IHAB Cc1cc2nc(-c3ccc(CNC(=O)Cn4c(=O)cnc5ccccc54)cc3)[nH]c2cc1C 79050830 KWDXLRDWLXSPHE-UHFFFAOYSA-N 437.503 3.873 0 40 IHAB COc1cccc(-c2cc(C(=O)N3CCc4nc(NC(=O)c5ccoc5)sc4C3)[nH]n2)c1 96024329 PYXIERGCPBULRZ-UHFFFAOYSA-N 449.492 3.586 0 40 IHAB Cc1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)c3cc(C)c(C)[nH]c3=O)CC2)n1 100738932 VQDAERSAJRNNED-PUZFROQSSA-N 431.540 3.856 0 40 IHAB Cc1c(CC(=O)NC[C@H]2CC[C@H](C(=O)O)CC2)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 100784042 DEZJCSDVLJJKJA-IYBDPMFKSA-N 441.524 3.755 0 40 IHAB COc1cc(Cl)c(C)cc1N1C(=O)[C@H]2ON=C(c3ccc(Br)cc3)[C@H]2C1=O 101278442 SECGSVQQLYOHTO-WBVHZDCISA-N 449.688 3.712 0 40 IHAB O=C(NCCc1c[nH]c2ccccc12)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 101436859 LLBZQKWRWQTAFY-KDURUIRLSA-N 439.581 3.612 0 40 IHAB C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1)c1ccc(F)cc1 113971531 OJSRHPAPIRLMLH-CRAIPNDOSA-N 438.952 3.898 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)N(c2ccc(C)c(C)c2)S(C)(=O)=O)c(C)c1 219122558 ORHSBMFMSZSJFY-OAQYLSRUSA-N 446.569 3.972 0 40 IHAB CC[C@@H](C(=O)NCCSCc1ccco1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O 222504194 SYUMJHQKXSRCBX-KRWDZBQOSA-N 448.969 3.666 0 40 IHAB Cc1ccc2c(c1)[C@@H](NC(=O)c1cccc(N3CCCCS3(=O)=O)c1)CC(C)(C)O2 222561847 FKICXOFNBHBSLS-FQEVSTJZSA-N 428.554 3.957 0 40 IHAB C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)N(Cc1ccccc1)C(=O)COc1ccccc1 222775281 LRAYBXZSUMUYEC-IBGZPJMESA-N 446.503 3.528 0 40 IHAB COc1cccc(N(CCCC(=O)NCc2ccc3ccccc3c2)S(C)(=O)=O)c1 222810691 FIISRJRHKGUFMY-UHFFFAOYSA-N 426.538 3.711 0 40 IHAB C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 223175464 XILMOCZHGKPYQE-KRWDZBQOSA-N 428.554 3.756 0 40 IHAB Cc1ccc(C)c(OCCNC(=O)CCCN(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 224006521 VPIGATYRBRYJTF-UHFFFAOYSA-N 432.586 3.662 0 40 IHAB CC[C@H](C(=O)NCCOc1ccccc1Cl)N(c1ccc(Cl)cc1)S(C)(=O)=O 224306468 HWXGRRKLUVAQDL-QGZVFWFLSA-N 445.368 3.733 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc3sncc3c2)CC1 226081210 XMMZTHHFEKDNDF-UHFFFAOYSA-N 445.566 3.653 0 40 IHAB Cc1cc(Nc2ncccc2C)cc([C@@H]2CN(CC(=O)Nc3ncc(C)s3)CCO2)n1 257209620 BREGGWBZZBQMTN-IBGZPJMESA-N 438.557 3.614 0 40 IHAB CNC(=O)[C@]1(c2ccccn2)CCCN(C(=O)c2cccc(OCc3cccc(F)c3)c2)C1 257233361 GOYFSWFOUMJZKL-AREMUKBSSA-N 447.510 3.720 0 40 IHAB Cc1nc2cc([C@@H]3CCCN3C[C@H]3CC=CCC3)nn2c(O)c1CCC(=O)N1CCCC1 257271239 MXLCDTCQBNFGPR-UGKGYDQZSA-N 437.588 3.792 0 40 IHAB CNC(=O)c1cccc([C@H]2CN(C(=O)c3ccccc3-c3ccccc3)CCN2C(C)=O)c1 257271859 NABYGWIOIRIUOS-RUZDIDTESA-N 441.531 3.759 0 40 IHAB COc1cccc2c1OC(C)(C)[C@H]1CC3(CCN(C(=O)c4cn(C)cn4)CC3)CO[C@H]21 257281829 OREKFWZTIXCUNF-FXAWDEMLSA-N 425.529 3.600 0 40 IHAB CC(C)CNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl 408595597 QVZOIGWJVCKQNN-QGZVFWFLSA-N 429.369 3.655 0 40 IHAB CCN(CC)C(=O)c1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C 408700679 KDFOZGMBXGGHDU-UHFFFAOYSA-N 443.569 3.514 0 40 IHAB Cc1cc(Br)cc(C)c1NC(=O)CSc1nnc(-c2ccncc2)n1C 409095152 HMYFYGDTHBYOAC-UHFFFAOYSA-N 432.347 3.987 0 40 IHAB COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc1O 409224680 NBELHLGHVJALRV-FRKPEAEDSA-N 436.848 3.868 0 40 IHAB C[C@@H]1CN(C(=O)c2ccc3c(c2)CCCC3=O)CCN1C(=O)c1ccc2c(c1)CCCC2=O 500956009 UFUDIDPWHDGXDV-QGZVFWFLSA-N 444.531 3.711 0 40 IHAB CC(C)CCNC(=O)C1CCN(C(=O)CN2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)CC1 549172195 SIPHHUNCXWJHFA-BKFWDETESA-N 425.617 3.798 0 40 IHAB Cc1cc(C)n([C@H](CNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c2ccsc2)n1 575613341 GAGPVZORDGERRU-QGZVFWFLSA-N 436.459 3.925 0 40 IHAB O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CC[C@@H](c2ccccc2Cl)S(=O)(=O)CC1 575615921 HAUDETYCASSHSX-FQEVSTJZSA-N 447.919 3.871 0 40 IHAB CC(C)n1c(CCCN2C(=O)[C@H](C(N)=O)[C@H]3C[C@@]2(C)Oc2ccccc23)nc2ccccc21 604418579 ZQUFQJMXZQWKIE-QFMFQJCFSA-N 446.551 3.776 0 40 IHAB CC1CCC(C(=O)N[C@@H](CCCCCCCCCN)C(=O)NC[C@H]2CCCCN2)CC1 1505840644 KRTXFNZZPYQKII-HDJSHQJTSA-N 436.685 3.635 0 40 IHAB C[C@@H]1CCc2[nH]nc(C(=O)NC3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)c2C1 1616756305 DKTWNAGZDVYCHC-CYBMUJFWSA-N 434.462 3.588 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cc(Cl)c(N)c(Cl)c1 1627169930 CMRJRIMNJGEDAG-UHFFFAOYSA-N 442.368 3.809 0 40 IHAB O=C(NCCC(=O)N1CCCCCC1)Nc1nnc(COc2ccc(Cl)cc2)s1 1672304154 SMKATTWJIRKIOL-UHFFFAOYSA-N 437.953 3.685 0 40 IHAB C[C@]1(C2CCN(Cc3ccc(OCC(=O)O)cc3)CC2)CN(c2ccc(F)cc2)C(=O)O1 1848354165 ZJZVPUOFBDITCB-XMMPIXPASA-N 442.487 3.917 0 40 IHAB Cc1ccc2cc(CN(Cc3cccs3)C(=S)NC[C@@H]3CCCO3)c(=O)[nH]c2c1 884496 GDCUMRXWZYSEHN-SFHVURJKSA-N 427.595 3.954 0 40 IHAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccco3)Cc3nnnn3C3CCCC3)cc2c1 905738 MTUXOUJSNBBBEB-UHFFFAOYSA-N 432.528 3.988 0 40 IHAB CC(=O)c1cccc(NC(=O)CSc2nnc([C@@H](C)N(C)C)n2Cc2ccccc2)c1 2625203 FEABXFDWPBAQMQ-MRXNPFEDSA-N 437.569 3.882 0 40 IHAB O=C(C(=O)N1CCOCC1)c1cn(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc12 3048703 KTFYHHINMJJUGS-UHFFFAOYSA-N 437.805 3.739 0 40 IHAB O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)NCCc1ccc(F)cc1 3346643 XMGJRJZMFSLLAG-UHFFFAOYSA-N 433.512 3.919 0 40 IHAB Cc1cccc(-n2c(SCC(=O)N3CCN(C)CC3)nnc2-c2c[nH]c3ccccc23)c1 3364055 WUVGSWYRMUIJIK-UHFFFAOYSA-N 446.580 3.590 0 40 IHAB CN(CC(=O)Nc1ccc(F)c(F)c1F)CC(=O)NC(c1ccccc1)c1ccccc1 3541166 SAVUZGJGXBIOFO-UHFFFAOYSA-N 441.453 3.880 0 40 IHAB CC1=C(C(N)=O)[C@H](c2ccc(F)cc2)N2NC(SCc3ccccc3Cl)=NC2=N1 4574841 UBCSQMUXQPOPIU-KRWDZBQOSA-N 429.908 3.759 0 40 IHAB CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)COc1cccc(C)c1C 4943697 WCWYIJSFVPPOFS-UHFFFAOYSA-N 425.485 3.798 0 40 IHAB CCCCn1c(=O)c(CCC(=O)O[C@H](C)C(=O)NC2CCCCC2)nc2ccccc21 5335184 VISFBPGDXDLXGJ-QGZVFWFLSA-N 427.545 3.510 0 40 IHAB COc1cc(OC)c2c(C)c(CC(=O)N[C@@H](C)Cc3c[nH]c4ccccc34)c(=O)oc2c1 8879163 MPCJPYXJUFUADU-AWEZNQCLSA-N 434.492 3.890 0 40 IHAB biogenic CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)N(C)Cc2c(F)cccc2Cl)cc1 8945710 FIHSRXHCWKMJLM-CQSZACIVSA-N 441.956 3.625 0 40 IHAB Cc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCCO3)S(=O)(=O)c3ccc(Cl)cc3)cc2c1 9187499 YLPFUZQNHDVJKW-IBGZPJMESA-N 446.956 3.860 0 40 IHAB CCOc1ccc(NC(=O)[C@H]2Sc3nnc(C)n3N[C@H]2c2ccc(OCC)cc2)cc1 9238924 PTWQQJZRDHQBRP-PMACEKPBSA-N 439.541 3.782 0 40 IHAB CCOC(=O)c1c(NC(=O)COC(=O)c2ccccc2OCC)sc(C(C)=O)c1C 9336360 NLULXZWXQCAKCF-UHFFFAOYSA-N 433.482 3.630 0 40 IHAB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1 9510062 MFFXAAQYAJKGRD-UHFFFAOYSA-N 440.477 3.501 0 40 IHAB C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1nnc(-c2ccccc2)o1 9669485 FZBAEKNRTSIOFP-CQSZACIVSA-N 447.538 3.503 0 40 IHAB CCCCn1c(=O)c(CCC(=O)OCC(=O)Nc2ccccc2C(C)=O)nc2ccccc21 9690417 JHGMGXYVBCAINF-UHFFFAOYSA-N 449.507 3.514 0 40 IHAB CCC1(CC)NC(=O)N(CC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)C1=O 9836711 IIINMDLNSXHSCF-AWEZNQCLSA-N 430.555 3.598 0 40 IHAB NC(=O)c1c(NC(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)sc2c1CCCC2 10021001 PXPSIEJMGFEEFT-UHFFFAOYSA-N 440.974 3.572 0 40 IHAB Cc1cccc(C)c1OCC(=O)N1CCC[C@@H]([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)C1 12182006 LKIRXMSYJZAWMB-IXDOHACOSA-N 437.466 3.500 0 40 IHAB Cc1cccc(Oc2ccc(NC(=O)CN3C(=O)C(=O)N(Cc4ccccc4)C3=O)cc2)c1 12598713 KJYVITPXDFLZBL-UHFFFAOYSA-N 443.459 3.717 0 40 IHAB Cc1ccc(-n2nnn(CN3CCN(c4cccc(C(F)(F)F)c4)CC3)c2=S)cc1 12624535 ITKXEACMPMWDAI-UHFFFAOYSA-N 434.491 3.905 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)N2CCN(Cc3ncc(-c4ccc(F)cc4)o3)CC2)c1 12916129 RPSBYVXKGJREIC-UHFFFAOYSA-N 429.517 3.604 0 40 IHAB COc1ccc(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c(OC)c1OC 12921977 SMLOEJOOQLABDQ-GOSISDBHSA-N 427.497 3.780 0 40 IHAB CCN(C(=O)[C@@H](Nc1ccc(C(F)(F)F)cc1Cl)C(C)C)[C@H]1CCS(=O)(=O)C1 13030436 RWKHSDLJHBLYRL-BBRMVZONSA-N 440.915 3.831 0 40 IHAB COc1ccc(-c2nc(NC(=O)CN3C(=O)N(C)C4(CCCCC4)C3=O)sc2C)cc1 13119991 SCSYBPJCBUCRKA-UHFFFAOYSA-N 442.541 3.663 0 40 IHAB COc1ccc(Cn2nnnc2[C@H](c2ccc(OC)cc2)N2CCc3ccccc3C2)cc1 13496230 MXCJLYIYHXZILR-VWLOTQADSA-N 441.535 3.886 0 40 IHAB O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1)c1ccccc1 14271610 HUSRUFHQFANNBO-UHFFFAOYSA-N 444.560 3.776 0 40 IHAB COc1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 15636604 QFIYTJRIBUTKFK-KBPBESRZSA-N 449.598 3.559 0 40 IHAB COc1cc([C@@H]2CC(=O)Nc3nc(SCc4ccc(Cl)cc4)[nH]c(=O)c32)ccc1O 16976468 DMBQUZYODGZJON-AWEZNQCLSA-N 443.912 3.904 0 40 IHAB CC(C)c1ncc(CN2CCC([C@H]3C[C@H](C(=O)Nc4ccc(F)cc4)CN3C)CC2)cn1 19454002 WWMAELAHMBLDAN-NZQKXSOJSA-N 439.579 3.910 0 40 IHAB CCc1nnsc1C(=O)N1CCN(CC)C(=O)[C@H](Cc2cccc(-c3ccccc3)c2)C1 19521869 HNKPKWOJUZBPSF-OAQYLSRUSA-N 448.592 3.931 0 40 IHAB CCc1nnsc1C(=O)N1CCNC(=O)[C@@H](Cc2ccc(-c3cccc(C)c3)cc2)C1 19521875 YUEOOZBMLNOBLI-FQEVSTJZSA-N 434.565 3.507 0 40 IHAB CN(C)C(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)Cc2cccnc2)C1 19580013 BZLXFCKAGHSTPH-VWLOTQADSA-N 433.577 3.902 0 40 IHAB CN(C)c1nc2ccccc2cc1CN1CCO[C@H](c2ccc(-c3cncnc3)cn2)C1 19692438 ANLLYGRATNGKFV-DEOSSOPVSA-N 426.524 3.726 0 40 IHAB Cc1ccccc1OCCNC(=O)c1ccc(C2CCN(C(=O)c3ccccn3)CC2)nc1 19708087 CJDSBTHJFSTCMS-UHFFFAOYSA-N 444.535 3.614 0 40 IHAB COc1ccccc1NC(=O)c1cnc([C@H]2CCN(C(=O)c3ccccc3OC)C2)nc1C 19766199 PRETUYWOIKNFPF-KRWDZBQOSA-N 446.507 3.684 0 40 IHAB COC(=O)[C@H](CC(C)C)NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1Cl 20722737 XWUDCZXMYUUTCY-FUHWJXTLSA-N 439.343 3.961 0 40 IHAB O=C1CCN(c2ccccc2C(=O)N2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)C(=O)N1 20778122 HJMUNUGLXZUMEW-MRXNPFEDSA-N 439.899 3.521 0 40 IHAB CS(=O)(=O)N(Cc1ccccc1)c1ccc(OCC(=O)NC2CCCCCC2)cc1 22230958 ILJHYSNBLDXSBU-UHFFFAOYSA-N 430.570 3.871 0 40 IHAB COc1ccccc1NC(=O)COc1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 22231157 MWUDKKHTJRTBBF-UHFFFAOYSA-N 440.521 3.679 0 40 IHAB O=c1oc2c3c(ccc2cc1-c1ccc(Cl)cc1)OCN(CCN1CCOCC1)C3 22918626 SSBDXUHXOKYBAG-UHFFFAOYSA-N 426.900 3.598 0 40 IHAB biogenic CN1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)[C@@H](c2ccccc2)C1 25909783 MUZHJRPPQKGBQA-MRXNPFEDSA-N 429.767 3.780 0 40 IHAB CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1C(=O)N1CCCCC1 26116921 INQIQOTZIIMVRE-UHFFFAOYSA-N 434.539 3.534 0 40 IHAB CN(c1ccc(OC(=O)Cc2noc3ccccc23)cc1)S(=O)(=O)c1ccc(F)cc1 28244393 DTIBMPHNLRMQJX-UHFFFAOYSA-N 440.452 3.940 0 40 IHAB CN(C)c1ccc(N2C(=O)/C(=C\c3ccc(N4CCOCC4)cc3)SC2=S)cc1 28942338 OZERJZSHUOODOH-HMMYKYKNSA-N 425.579 3.995 0 40 IHAB CC(=O)Nc1ccc2c([C@@H](C(=O)O)N3CCN(C/C=C/c4ccccc4)CC3)c[nH]c2c1 32100737 IXAKPYLUZMFMJM-LNJOJYBOSA-N 432.524 3.583 0 40 IHAB COc1ccc(Cl)cc1C(=O)NC(=S)Nc1sc2c(c1C(N)=O)CCCCC2 32125153 SXVAOZTZHZNTLQ-UHFFFAOYSA-N 437.974 3.905 0 40 IHAB O=C(NCC(F)(F)F)[C@@H]1CCCN1C(=O)Cc1csc(-c2ccccc2Cl)n1 32809571 LYWGHGMFEZTQGM-AWEZNQCLSA-N 431.867 3.676 0 40 IHAB O=C(Nc1nnc([C@@H]2CC(=O)N(c3ccccc3)C2)o1)c1ccccc1Br 33169797 NJEIDXZDBVSDLK-GFCCVEGCSA-N 427.258 3.605 0 40 IHAB COc1cccc(N(C(=O)c2cnccn2)[C@H](C(=O)NCc2ccccc2)c2ccco2)c1 35313888 QZTMWEVUNPGWRT-QHCPKHFHSA-N 442.475 3.783 0 40 IHAB Cc1ccc(OCC(=O)Nc2ccc(OCc3cc(=O)n4oc(C)cc4n3)cc2)c(C)c1 35378602 NNGVGTQZBOZJPP-UHFFFAOYSA-N 433.464 3.809 0 40 IHAB CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3ccc(C(=O)O)cc3)n2C)cc1 35395640 FAOGSTSFNOOHHE-AWEZNQCLSA-N 440.525 3.947 0 40 IHAB CCOc1ccc(-c2ccc(N3CCN(C(=O)c4ccc5nsnc5c4)CC3)nn2)cc1 38488082 YIABITHWQWNEMA-UHFFFAOYSA-N 446.536 3.509 0 40 IHAB CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)N2CCC(Cc3ccccc3)CC2)c1=O 44840487 KEMXKCVQKIIPNC-LJQANCHMSA-N 433.552 3.616 0 40 IHAB Cc1ccc([C@H]2[C@H](Oc3ccccc3F)C(=O)N2CCCCN2CCOCC2)cc1C 48251010 WDHUKSGVZAOITP-ZEQRLZLVSA-N 426.532 3.886 0 40 IHAB CCCCc1ccc(NC(=O)Cn2cnc3c(c2=O)CN(Cc2ccccc2)CC3)cc1 49400747 UVKFKBUBUIEPJC-UHFFFAOYSA-N 430.552 3.783 0 40 IHAB Cc1ccc2c(c1)N(Cc1ccc(Cl)cc1)N=C(C(=O)N1CCCCC1)S2(=O)=O 49402698 LVMZEVVXVNEWQU-UHFFFAOYSA-N 431.945 3.768 0 40 IHAB COc1ccc(N(Cc2cccc(Cl)c2)S(=O)(=O)c2ccc3nncn3c2)cc1 49408311 RUKVPPVBYLYNJH-UHFFFAOYSA-N 428.901 3.787 0 40 IHAB CCc1noc(-c2ccnc(-n3cnc(C(=O)NCc4cccc(C(F)(F)F)c4)c3)c2)n1 71768529 XDGLGTKSQCTQSF-UHFFFAOYSA-N 442.401 3.829 0 40 IHAB Cc1cc(C(=O)NC2CCN(CC3(c4ccc(Cl)cc4)CCC3)CC2)c(=O)[nH]c1C 72393398 CDKXLIZQHZPQHU-UHFFFAOYSA-N 427.976 3.961 0 40 IHAB COc1ccccc1Cc1cnc([C@@H]2CCCN(C(=O)CN(C)Cc3cccnc3)C2)o1 77010577 RGMWJXFFYIJTSL-OAQYLSRUSA-N 434.540 3.507 0 40 IHAB COc1cc(/C=C/C(=O)OC2CN(c3nc4ccc(F)cc4s3)C2)cc(OC)c1OC 77100996 HYCCXEWUVZDHGS-QPJJXVBHSA-N 444.484 3.906 0 40 IHAB CO[C@@H](C)c1nc(CN2CCCN(C(=O)c3sccc3OC(F)F)CC2)cs1 79054004 DWKGXHAIGKZAHF-LBPRGKRZSA-N 431.530 3.862 0 40 IHAB COC(=O)c1ccc2c(=O)[nH]c(CN(Cc3ccc(N4CCC[C@@H]4C)nc3)C(C)C)nc2c1 89929876 NHQULQBHGBGQLV-KRWDZBQOSA-N 449.555 3.504 0 40 IHAB COc1ccc(CN2[C@]3(CCN(C(=O)c4ccccc4)C3)c3ccccc3S2(=O)=O)cc1 96261975 NRZUBSHZKDHQNX-VWLOTQADSA-N 448.544 3.641 0 40 IHAB O=C1C[C@H](Sc2nnc(-c3ccccc3O)o2)C(=O)N1c1cccc(C(F)(F)F)c1 100703771 LHGVFDMVGMIFLC-AWEZNQCLSA-N 435.383 3.885 0 40 IHAB COc1cccc(N2C(=O)/C(=C/NC[C@H](c3ccco3)N(C)C)c3ccccc3C2=O)c1 101503271 JPSXHFNNMMHHKZ-ONQWYEKWSA-N 431.492 3.709 0 40 IHAB CC(=O)c1ccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H]([C@H]6C[C@H]56)[C@H]4C3=O)c2)cc1 102530222 MZFGGOPQZTWAAX-UKIRVEGOSA-N 426.472 3.699 0 40 IHAB CCOC(=O)[C@@H]1CCCN([C@H](c2ccccc2F)c2sc3nc(CC)nn3c2O)C1 102896642 NLKZKYUGBOKYPW-CXAGYDPISA-N 432.521 3.562 0 40 IHAB CC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H]2C[C@@H]3[C@H]3ON=C(c4ccc(Cl)cc4)[C@H]23)cc1 103505079 JUKXLVWUIODHES-BYNWGJDGSA-N 434.879 3.717 0 40 IHAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1OC 222499759 FVRPWMCKGCWZAM-NQIIRXRSSA-N 442.556 3.805 0 40 IHAB CCN(Cc1ccccc1)C(=O)CCc1cc(S(=O)(=O)N2CCCCC2)ccc1OC 223083523 BWIYISHQPZTIMM-UHFFFAOYSA-N 444.597 3.851 0 40 IHAB COc1cc(C)c([C@H](C)NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1C(C)C 223295293 NWZTUKSZDIUIAV-INIZCTEOSA-N 436.549 3.910 0 40 IHAB CCc1ccc(CC)c(CNC(=O)CN(c2cc(Cl)ccc2OC)S(C)(=O)=O)c1 223589144 NZOCDXHMHQMXGZ-UHFFFAOYSA-N 438.977 3.556 0 40 IHAB CCc1ccc(N([C@@H](C)C(=O)NCCOc2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1 223652238 UKJFSJZBLVMCSH-SFHVURJKSA-N 446.613 3.896 0 40 IHAB CN(c1ccc(C(=O)NCCCN2CCc3ccccc32)cc1)S(=O)(=O)c1ccccc1 224179363 PIQZIUANSJHAGI-UHFFFAOYSA-N 449.576 3.694 0 40 IHAB COc1ccccc1[C@@H](C)NC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 225090099 AMSOPGZZZXPOCP-GFCCVEGCSA-N 431.341 3.645 0 40 IHAB CCc1ccc(OCC(=O)N(Cc2ccc(OC)cc2)[C@H](C)C(=O)N[C@H](C)CC)cc1 225407852 KSUMYHVKAMCORP-RTBURBONSA-N 426.557 3.968 0 40 IHAB COc1ccc(N(C)C(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 226027074 PJCBUUNEYWMZTJ-UHFFFAOYSA-N 442.512 3.688 0 40 IHAB CCCN1CCN(C(=O)c2cn[nH]c2CC)C[C@H](Cc2ccccc2-c2cccnc2)C1=O 257276480 NTXKJODRGMEFNP-NRFANRHFSA-N 445.567 3.587 0 40 IHAB Cc1sc(NC(=O)CN2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)nc1-c1ccccc1 257297208 RGHYKYPATAMMPD-RDPSFJRHSA-N 437.565 3.961 0 40 IHAB COc1cccc(Nc2cc(C)nc([C@@H]3CCCN(CC(=O)Nc4nonc4C)C3)c2)c1 257343655 ZTWYRKIOZWUGSB-QGZVFWFLSA-N 436.516 3.652 0 40 IHAB CSc1nc(N2CCCC2)c2cc(C(=O)N3CCN(c4ccccc4)CC3)sc2n1 408637295 ZRLQRSRSLKQHAD-UHFFFAOYSA-N 439.610 3.976 0 40 IHAB Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4C3=O)cc2)c(C)c1 408669499 WFZZZWYYVJVABC-PTRHGPIFSA-N 446.503 3.634 0 40 IHAB COc1cc(OC)c(OC)cc1/C=C1\SC(=O)N(CC(=O)Nc2cccc(C)c2)C1=O 408932806 FCIWSHNOVWRVEX-GRSHGNNSSA-N 442.493 3.696 0 40 IHAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 409204420 HBAODHQGWSTGDK-UHFFFAOYSA-N 431.341 3.945 0 40 IHAB CCc1ccc(NC(=O)CSc2nnc([C@H](C)NC(=O)c3ccccc3C)n2C)cc1 409345144 KLBCQLFYPMIMDI-INIZCTEOSA-N 437.569 3.908 0 40 IHAB Cn1nc(-c2ccc(Br)cc2)cc1C(=O)NC[C@H]1CCCN2CCCC[C@H]12 504772527 BWVRGYZEWUOEER-VQIMIIECSA-N 431.378 3.844 0 40 IHAB biogenic COc1ccc(-c2nc(C(=O)N=c3cc[nH]c(C)c3Br)cs2)cc1OC 527091343 UIHSSSZSEIMDPB-UHFFFAOYSA-N 434.315 3.967 0 40 IHAB C[C@@H]1Oc2ccc(C(=O)C3CCN(C(=O)[C@@H]4CCC(=O)c5ccccc54)CC3)cc2NC1=O 559563019 DKNJLIIUNNRRDN-MGPUTAFESA-N 446.503 3.588 0 40 IHAB Cc1ccc(CC(=O)N2C[C@H](c3cn(C(C)C)cn3)[C@@]3(CCCN(CC4CC4)C3=O)C2)cc1 585107394 UMJXBFUDDSSCHP-YIXXDRMTSA-N 448.611 3.960 0 40 IHAB OC[C@H]1[C@H](O)C[C@@H](NCc2ccccc2Cl)[C@@H]1Cc1ccnc(-c2ccccc2F)n1 604382205 KTDIEEDTMGSALL-DAVBRLECSA-N 441.934 3.626 0 40 IHAB biogenic,in-vitro O=C1OC2(CN(Cc3ccc(C(F)(F)F)cc3)C2)[C@H]2CN(Cc3ccccc3)CCN12 1549162539 SCCOFDHQCGFOET-HXUWFJFHSA-N 431.458 3.596 0 40 IHAB CCn1c(SCC(=O)Nc2ccc(OC)cc2OC)nc2sc3c(c2c1=O)CCC3 924239 DHGOEAUPJFPPNN-UHFFFAOYSA-N 445.566 3.715 0 40 IHAB Cc1ccc2c(c1)cc(CN(Cc1cccnc1)C(=O)c1ccccc1F)c1nnnn12 1367170 BGPNFBASRYRKNZ-UHFFFAOYSA-N 426.455 3.963 0 40 IHAB CC[C@@H](C)[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)OC 2132502 BTYHVYXEVYVEEP-CKNGIIGNSA-N 437.492 3.931 0 40 IHAB biogenic CCCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(C)cc(=O)oc2c1 2148084 PLHOCGMSICYSQF-HXUWFJFHSA-N 443.521 3.853 0 40 IHAB biogenic C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2cccc(C(F)(F)F)c2)C1=O 3457417 LNDKUUDEISOKCU-SFHVURJKSA-N 425.794 3.765 0 40 IHAB COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1S(=O)(=O)N1CCCC1 3549513 DQFIBFHXBIDODR-UHFFFAOYSA-N 428.432 3.751 0 40 IHAB CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(Cc1ccc(Cl)cc1)C(=O)c1csnn1 5944283 MAGINNQVCNBUAW-GOSISDBHSA-N 443.960 3.885 0 40 IHAB COc1ccc(-c2coc3cc(OCC(=O)NC[C@H](O)c4ccccc4)ccc3c2=O)cc1 8764933 QMHQFGDTVXGHDM-QHCPKHFHSA-N 445.471 3.697 0 40 IHAB biogenic COc1cccc(Nc2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccsc23)c1 8954822 SDVQPURBYRUFCW-UHFFFAOYSA-N 437.506 3.924 0 40 IHAB Cn1c(-c2ccccc2)c(C(=O)COC(=O)c2cnc3sccn3c2=O)c2ccccc21 9127244 RQGBGIOCCKVQDI-UHFFFAOYSA-N 443.484 3.954 0 40 IHAB CC(=O)N1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3cccnc3)=NN12 9432059 DGLHBEUYRLKNBV-LJQANCHMSA-N 441.329 3.726 0 40 IHAB CN(Cc1ccc2c(c1)OCCO2)C(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 9579055 WOIZWYLXKFNVLY-UHFFFAOYSA-N 426.476 3.978 0 40 IHAB O=C(COCC(=O)Nc1ccc(OCCc2ccccc2)cc1)NCCc1ccccc1 9601518 DKKLONNLXNCXRP-UHFFFAOYSA-N 432.520 3.622 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3c(C)cc(C)cc3C)C2)cc1C 9974202 WDTOLHCEBIVBFC-IBGZPJMESA-N 430.570 3.968 0 40 IHAB O=C(NCCC1=CCCCC1)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 10009357 NLJYYRGCMIUSOX-QHCPKHFHSA-N 440.565 3.791 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccc(C)c(-n4cccc4)c3)CC2)cc1 10488086 BSOSSKBLFUNLEF-UHFFFAOYSA-N 437.565 3.677 0 40 IHAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NC[C@@H](c1cccc(F)c1)N(C)C 11603835 ISIJHDCMJBJFQX-QHCPKHFHSA-N 433.531 3.990 0 40 IHAB CNS(=O)(=O)c1cc(NC(=O)c2sc(COc3ccc(C)cc3)nc2C)ccc1C 12797025 FUJJAUWIHYOWBK-UHFFFAOYSA-N 445.566 3.808 0 40 IHAB CC(C)OCCCN1CC2=C(C1=O)[C@@H](c1ccc(OCc3ccccc3)cc1)NC(=O)N2 12879448 QXQCUMLJMJMYMO-HSZRJFAPSA-N 435.524 3.531 0 40 IHAB CCOC(=O)c1ccc(OC[C@@H](O)Cn2nc3c4c(cccc42)C(=O)c2ccccc2-3)cc1 12898586 XMJRVYPPKJCPCU-KRWDZBQOSA-N 442.471 3.864 0 40 IHAB CN(CCC(=O)Nc1ccc(Br)cc1F)CC(=O)Nc1cccc(F)c1 12919821 OQJMVHBSOSFEEM-UHFFFAOYSA-N 426.261 3.626 0 40 IHAB CCOc1ccc(SCC(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 13109596 AQQDLZJDGHPVSZ-UHFFFAOYSA-N 425.476 3.940 0 40 IHAB COc1cc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccc(O)cc2)c(OC)cc1Cl 13839348 WOGDAYBNLAGOSA-LJQANCHMSA-N 441.875 3.582 0 40 IHAB CCOC(=O)Nc1ccc(C(=O)N(C)CC(=O)Nc2ccccc2Br)cc1 14170438 VXKCKPNOPUHTOA-UHFFFAOYSA-N 434.290 3.728 0 40 IHAB O=C(Cn1c(=O)oc2ccccc21)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 14502302 MPNZMMKKUZOAAD-UHFFFAOYSA-N 438.487 3.823 0 40 IHAB COc1ccc(-c2nc(C)c(CCNS(=O)(=O)c3ccc(OC)c(OC)c3)s2)cc1 16992151 GFEBMNXGZFPEIT-UHFFFAOYSA-N 448.566 3.665 0 40 IHAB COc1ccc(CC(=O)NC2CCN(c3ncc(-c4ccncc4)c(C(C)C)n3)CC2)cc1 19451625 SSFSWFGUKYKMBN-UHFFFAOYSA-N 445.567 3.998 0 40 IHAB CCCn1cc(C(=O)NC2CCN(Cc3cc(-c4ccc(F)cc4)nn3C)CC2)c(C)n1 19526044 SCNYIYZOHNXDKF-UHFFFAOYSA-N 438.551 3.536 0 40 IHAB CCNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)c2cccnc2N)C1 19528681 ZFCLZCZRYHGKEK-VWLOTQADSA-N 448.592 3.994 0 40 IHAB Cc1nn(C)cc1-c1cc(-c2cn(C)nc2C)n(-c2nc(C3CC3)cc(C(F)(F)F)n2)n1 19635678 SFHIZZDTMDEAMR-UHFFFAOYSA-N 442.449 3.976 0 40 IHAB O=C(Cc1ccc(F)cc1)N1CC[C@H](c2ccc3c(NCc4ccccn4)n[nH]c3n2)C1 19704963 VOYLHUADKJGCRB-KRWDZBQOSA-N 430.487 3.663 0 40 IHAB Cc1nc(N2CCCCC2)ncc1-c1ccnc(N2CCN(Cc3ccccc3)CC2)n1 19960317 JEZWAGUHYPBQRY-UHFFFAOYSA-N 429.572 3.555 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)SC2=NC(=O)C[C@H](c3ccccc3)N2)cc1 20168850 QAEALQDTQHUJFN-RDTXWAMCSA-N 425.510 3.541 0 40 IHAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1 20452483 PLLSJLHHCBGSHE-LJQANCHMSA-N 440.525 3.690 0 40 IHAB CCCCN1C(=O)[C@H](CC(=O)Nc2ccc(C(=O)OCC)cc2)n2c1nc1ccccc12 21005919 QAIXXAAMYVTBGW-FQEVSTJZSA-N 434.496 3.930 0 40 IHAB CC(C)OCCCNC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1cnn2C(C)C 22698754 DODRUZDFNUABFN-UHFFFAOYSA-N 438.528 3.995 0 40 IHAB COc1ccc2oc(C(=O)O[C@H](C)C(=O)Nc3ccc(N4CCOCC4)cc3)c(C)c2c1 23079644 VNTLPNSQORPHNU-MRXNPFEDSA-N 438.480 3.770 0 40 IHAB O=S(=O)(c1ccc2c(c1)CCCC2)N1CCN(Cc2ncc(-c3ccccc3)o2)CC1 23908513 IGRAYRGINSNWFI-UHFFFAOYSA-N 437.565 3.727 0 40 IHAB COc1ccc(C(C)=O)cc1CSCC(=O)Nc1ccc(CN2CCOCC2)cc1 24001946 AZMDBVGIEQBQCP-UHFFFAOYSA-N 428.554 3.602 0 40 IHAB Cc1ccc(-n2cnnc2SCC(=O)NC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1Cl 24304985 NJCLGMNCDPPQQL-SUYBPPKGSA-N 435.981 3.972 0 40 IHAB Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H](N5CCC(C(=O)O)CC5)C4=O)cc3)sc2c1 25392212 SCLOSRAVTIJKJR-IBGZPJMESA-N 449.532 3.700 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)s1 25768111 ZMBAOSOFYMMNAO-INIZCTEOSA-N 448.566 3.890 0 40 IHAB CCOC(=O)c1cnn(-c2cccc(NC(=O)CSCc3c(C)noc3C)c2)c1C 25986883 NXRNMWGMRMCSGB-UHFFFAOYSA-N 428.514 3.834 0 40 IHAB Cc1nn(Cc2ccc(C(=O)NCc3ccc4c(c3)OCO4)o2)c(C)c1Br 28224959 ZKXRRVFOZOIZQU-UHFFFAOYSA-N 432.274 3.562 0 40 IHAB CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)[C@@H]1CCS(=O)(=O)C1 32836693 XMWXGQRTKOACGA-GFCCVEGCSA-N 427.931 3.618 0 40 IHAB O=C(Cn1cc(-c2nc(-c3ccc(Cl)cc3)no2)ccc1=O)NCc1ccc(F)cc1 33293221 CUIFFEASGXCQBK-UHFFFAOYSA-N 438.846 3.674 0 40 IHAB Cc1nc(COc2cccc(C(=O)OCC(=O)N(C)Cc3ccccc3F)c2)cs1 36883354 NKCOBGKGZKNFJI-UHFFFAOYSA-N 428.485 3.985 0 40 IHAB Cc1cc(C)n2nc(C(=O)Nc3nc(-c4ccc(Br)s4)cs3)nc2n1 37115870 JRXBZGZKKMMXCO-UHFFFAOYSA-N 435.332 3.941 0 40 IHAB Cc1ccc(C2=NN(C(=O)CN3CCN(c4ccc(O)cc4)CC3)[C@H](c3ccco3)C2)cc1 57303514 LCGZROCPIZRCPD-DEOSSOPVSA-N 444.535 3.794 0 40 IHAB CCOC(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1cccc2cc(C)cnc12 58003556 AIOKFQFUEDMZGN-UHFFFAOYSA-N 432.929 3.951 0 40 IHAB Cc1ccc(NC(=O)c2nnn(CC(=O)NCCc3ccc(Cl)cc3)c2C)c(Cl)c1 71327446 GYMQQVZMYFHXBV-UHFFFAOYSA-N 446.338 3.813 0 40 IHAB O=C1C[C@H](C2CCN(C(=O)c3cc(-n4cnnc4)ccc3Cl)CC2)Oc2ccccc21 72336683 YSSXCANRENYXRV-JOCHJYFZSA-N 436.899 3.807 0 40 IHAB Cc1ncc(CN2CCCC[C@H]2Cc2c(C(=O)NCCO)sc3ccccc23)s1 72370504 QKYWPLRIIPVFMT-INIZCTEOSA-N 429.611 3.986 0 40 IHAB O=C1[C@@H]2C[C@@H](CN2C(=O)c2ccc(Cl)cc2)Oc2ccccc2N1Cc1ccccn1 96111678 NNSORAPCFKXWNA-FPOVZHCZSA-N 433.895 3.944 0 40 IHAB biogenic,in-vitro Cc1c(-c2nnc3sc(CCN4C(=O)c5ccccc5C4=O)nn23)oc2ccccc12 96194428 DHUDCJOZMMQCGF-UHFFFAOYSA-N 429.461 3.746 0 40 IHAB O=C(COC(=O)C1C[C@H]2CCC[C@H](C1)C2=O)/N=c1/sccn1Cc1ccccc1Cl 103432441 NSTRRJBCKKYSIL-GHEHLFKRSA-N 446.956 3.617 0 40 IHAB CCS(=O)(=O)N1C[C@H](C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)Oc2ccccc21 218788325 DRDMEOJNLGYVAP-HRAATJIYSA-N 430.570 3.779 0 40 IHAB COc1ccccc1O[C@@H](C)C(=O)NCc1nc(-c2cccc(Br)c2)no1 219506336 HOTGYOGXOWKHPQ-LBPRGKRZSA-N 432.274 3.591 0 40 IHAB CC1(C)C[C@H](NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c2ccccc2O1 219985159 FBZMENFNIFXOAC-FQEVSTJZSA-N 428.554 3.893 0 40 IHAB CCCCc1ccc(NC(=O)[C@@H](C)N(c2cc(OC)ccc2OC)S(C)(=O)=O)cc1 220216910 VGVQWVYZWARUKE-MRXNPFEDSA-N 434.558 3.840 0 40 IHAB CCC1(CC)C[C@H](NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)c2ccccc2O1 222927149 FJNXFIWVBLXCEN-FQEVSTJZSA-N 430.570 3.960 0 40 IHAB COc1cc(C)c(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(C)c1 223290011 HGTNWBDTSKKXIX-UHFFFAOYSA-N 428.476 3.842 0 40 IHAB COc1cccc(N(CC(=O)NCC2CCCCC2)S(=O)(=O)c2ccc(C)cc2)c1 223573953 SCYIKHZGLXGASW-UHFFFAOYSA-N 430.570 3.895 0 40 IHAB COc1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(C)c2)c(OC)c1 224087876 DWJBLTAJSMTZIL-UHFFFAOYSA-N 440.521 3.743 0 40 IHAB COc1ccccc1CNC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(F)cc2)c1 224168818 MPXKXDWDYAQBLI-UHFFFAOYSA-N 428.485 3.589 0 40 IHAB COc1ccc(S(=O)(=O)N(C)c2cc(C(=O)NCc3ccccc3F)ccc2C)cc1 224506424 LHSWGSDUNJAKNC-UHFFFAOYSA-N 442.512 3.898 0 40 IHAB CCOc1cccc(N(CC(=O)OC)S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)c1 224629212 FWGBHPKMXBOUMV-UHFFFAOYSA-N 448.324 3.769 0 40 IHAB COc1ccc(CSCC(=O)N(Cc2ccc(OC)cc2)[C@@H](C)C(=O)NC(C)C)cc1 225667597 BCENNAXONYDJPC-SFHVURJKSA-N 444.597 3.879 0 40 IHAB CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1CCN(Cc1cccc(OC3CCCC3)c1)C2 257297305 RGSLYUQSZMPWCT-HXUWFJFHSA-N 449.599 3.734 0 40 IHAB Cc1cccc(NC(=O)CSc2nnc(-c3cc(Br)ccc3O)n2C)c1 408545002 WTSOJOFTZXGWFR-UHFFFAOYSA-N 433.331 3.989 0 40 IHAB CCOc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OCC)c(C)c3)C2)cc1 408561814 VNEAMYGYFPDHOW-GOSISDBHSA-N 446.569 3.832 0 40 IHAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=O)N3CCCCC3)cc2)cc1 408563274 VCGACQNQABJZEE-UHFFFAOYSA-N 431.514 3.682 0 40 IHAB O=C(COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1Cl)N1CCCCC1 408586089 AELAJVPXSVXSGX-UHFFFAOYSA-N 448.972 3.873 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 408589437 HQKDWGHKQCYOEZ-UHFFFAOYSA-N 426.897 3.527 0 40 IHAB CC(C)OC(=O)c1ccccc1NC(=O)CSc1nnc(COc2ccccc2)o1 408626125 ZXVVXZNVPOBVGD-UHFFFAOYSA-N 427.482 3.945 0 40 IHAB Cc1ccccc1N1C[C@H](C(=O)Oc2cccc(N3C(=O)c4ccccc4C3=O)c2)CC1=O 408657060 IIRQRIOXAIRUNR-QGZVFWFLSA-N 440.455 3.754 0 40 IHAB Cc1cccc(C)c1NC(=O)COC(=O)c1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 408668161 UYZBJDZIYZJVKZ-WOJBJXKFSA-N 432.476 3.555 0 40 IHAB CCCNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl 409069342 MNJWNIBKKOFNRK-UHFFFAOYSA-N 429.369 3.753 0 40 IHAB Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)cc1Cl 409138985 KTHAVJLBPLCQJN-MRXNPFEDSA-N 444.915 3.970 0 40 IHAB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(OC)c3OC)C2=O)cc1 409179066 MWTVPOVIXDXYPF-LDADJPATSA-N 426.494 3.941 0 40 IHAB COc1cc(C(=S)N2C[C@H](C)O[C@H](C)C2)ccc1OCC(=O)Nc1ccc(F)cc1 409239830 QTCUJRQFSNFODU-GASCZTMLSA-N 432.517 3.637 0 40 IHAB O=C(C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)N1CCCCc2ccccc21 502636065 GBTCKXLJJUBBOW-UHFFFAOYSA-N 444.461 3.729 0 40 IHAB O=C1CCc2cc(C(=O)N3CCC[C@H](NC(=O)c4ccc5ccccc5c4)C3)c(F)cc2N1 532267341 GIOSRLOPOURZDX-FQEVSTJZSA-N 445.494 3.898 0 40 IHAB COCCN(Cc1ccc(F)cc1Cl)C(=O)Nc1ccccc1CN1CCNC1=O 544591441 BOTORCDASHHPQF-UHFFFAOYSA-N 434.899 3.685 0 40 IHAB Cc1ccc(N2C[C@H](C(=O)NCc3nc(C4CCC(F)(F)CC4)no3)CC2=O)cc1C 575606879 MOPFRINPAXLCEP-MRXNPFEDSA-N 432.471 3.649 0 40 IHAB O=C1C[C@@H]2CCN(C3CCOCC3)C[C@@H]2CCOc2ccc(C3CCOCC3)cc2N1 1534646678 OJQQDVMQTQUDBJ-SFTDATJTSA-N 428.573 3.809 0 40 IHAB 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CCOCc1c(C(=O)OCC(=O)N[C@H](C)c2ccc3c(c2)OCO3)oc2ccccc12 11243620 SVFAIJFBRFUMSB-CQSZACIVSA-N 425.437 3.732 0 40 IHAB CCc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2ccc(Br)cc2)CC1=O 11532919 KAZOUGHZZSDFCX-OAHLLOKOSA-N 445.313 3.546 0 40 IHAB COc1ccc(-c2ccc(=O)n(CCCC(=O)N3c4ccccc4C[C@@H]3C)n2)cc1OC 11693347 PXJXRRNZTQSINU-KRWDZBQOSA-N 433.508 3.686 0 40 IHAB COc1cc2cc(N)c([C@H]3CCCN(C(=O)c4ccc5c(c4)OCO5)C3)nc2cc1OC 12232204 VQYQXGVZIJNHLT-HNNXBMFYSA-N 435.480 3.583 0 40 IHAB COc1ccc(CN(C(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)C2CC2)cc1 12623015 QKKROWZDSYRGMF-UHFFFAOYSA-N 432.307 3.903 0 40 IHAB CC1CCN(c2nnc(SCC(=O)Nc3cccc(F)c3)n2C[C@H]2CCCO2)CC1 12922720 OXSLRUFUVBTAOK-GOSISDBHSA-N 433.553 3.563 0 40 IHAB Cc1cccc2c(=O)n(CCC(=O)Nc3ccc(N4CCc5sccc5C4)nc3)cnc12 12944501 KUYABBPONYCFTN-UHFFFAOYSA-N 445.548 3.753 0 40 IHAB C[C@@H]1Oc2c(C(=O)N3CCN(CC(=O)Nc4ccccc4Cl)CC3)cccc2[C@H]1C 13121122 FLWMYHCINQHSPV-HOTGVXAUSA-N 427.932 3.621 0 40 IHAB O=C(NCCOc1ccc2nnc(-c3ccccc3Cl)n2n1)c1cccc(Cl)c1 13526421 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COc1ccc(CN2CC[C@@](Cc3cccc(-c4ccncc4)c3)(C(N)=O)C2)c(OC)c1 19552190 FIVBLKSYHMHBOJ-SANMLTNESA-N 431.536 3.686 0 40 IHAB Cc1cc(C(F)(F)F)c2c(=O)[nH]c([C@H]3CCN(C(=O)c4cc(C(C)C)no4)C3)cc2n1 19568531 FGAZEOABYSMIEP-LBPRGKRZSA-N 434.418 3.991 0 40 IHAB CCOc1ccccc1CNC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 20492618 IRRLLHLEBPBMOX-UHFFFAOYSA-N 438.549 3.905 0 40 IHAB CCOC(=O)C1=C(CN(Cc2ccccc2)Cc2ccco2)NC(=O)N[C@H]1c1ccco1 21582093 KPPUTZAWDFOITH-QFIPXVFZSA-N 435.480 3.746 0 40 IHAB O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1cccnc1N1CCCC1 22225829 KWBFKVHMRQVLSZ-UHFFFAOYSA-N 448.976 3.762 0 40 IHAB O=C(NCCCc1ccccc1Cl)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 22526007 UEYDDIWOZYTKHQ-INIZCTEOSA-N 426.991 3.551 0 40 IHAB O=C(NC[C@H](c1cccc2ccccc12)N1CCOCC1)c1ccc(Br)o1 23106442 ONPJEAJBGIVZPJ-GOSISDBHSA-N 429.314 3.999 0 40 IHAB O=C(Cc1cc(=O)[nH]c(SCc2cccc(Cl)c2)n1)Nc1ccc2c(c1)OCO2 23138247 XAJXZQDEPFRPDY-UHFFFAOYSA-N 429.885 3.626 0 40 IHAB C[C@H](O)CNCCNCc1cc(Br)ccc1OCc1ccc(Cl)cc1 23469525 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CCc1cccc(C)c1NC(=O)Cn1c(=O)n(-c2ccccc2OC)c(=O)c2sccc21 57490805 SGIKJVFZXBPFKR-UHFFFAOYSA-N 449.532 3.732 0 40 IHAB Cc1c(NC(=O)CN2CCC[C@H]2c2nc3ccccc3s2)c(=O)n(-c2ccccc2)n1C 58140688 GEJXALZRAGPXOM-IBGZPJMESA-N 447.564 3.870 0 40 IHAB CC(C)c1ccc(N2C(=O)CN(CCc3ccc(Cl)cc3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 63366629 STIBFMCYJADAHC-VXKWHMMOSA-N 447.000 3.520 0 40 IHAB Cc1cccc(-c2noc(-c3ccc(=O)n(CC(=O)NCc4ccccc4Cl)c3)n2)c1 67289377 ARSFMDJQFGITEK-UHFFFAOYSA-N 434.883 3.844 0 40 IHAB Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)N(Cc3cccnc3)C[C@@H]3CCCO3)c12 70010566 MGCKZGAZENPILK-SFHVURJKSA-N 431.496 3.753 0 40 IHAB C[C@@H]1Cc2cc(S(=O)(=O)Nc3cc(C(N)=O)ccc3N3CCCCC3)cc(Cl)c2O1 72289726 QFGDPUIKEIDUSN-CYBMUJFWSA-N 449.960 3.553 0 40 IHAB O=C(NC[C@](O)(Cc1ccccc1)c1ccccc1)[C@@H]1CCCN(C(=O)c2cccs2)C1 72304396 GRXUOEIEIJOEPL-QFQXNSOFSA-N 448.588 3.847 0 40 IHAB COc1cc(CCC(=O)N2CCC3(CC2)C[C@]2(CO3)Nc3ccccc3-n3cccc32)on1 72327278 XXBHXPZJWYQQAY-RUZDIDTESA-N 448.523 3.509 0 40 IHAB 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438.977 3.697 0 40 IHAB Cc1ccc([C@H](C)NS(=O)(=O)c2nnc(NC(=O)c3ccccc3Cl)s2)cc1 225287731 GDEOAJHHJDPHOG-LBPRGKRZSA-N 436.946 3.792 0 40 IHAB CSCC[C@@H](N)C(=O)N1CC[C@H]2O[C@H]3c4cc(Cl)ccc4OC(C)(C)[C@@H]3C[C@H]2C1 257329040 XICXYSHDEOPNHC-YDQVPQBGSA-N 439.021 3.886 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCC(C)CC1)c1ccc(F)cc1 408596721 XRCSLHABNKFFLB-UHFFFAOYSA-N 434.533 3.597 0 40 IHAB C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3cccs3)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]12 408642163 DQLJYJPKHXOSNZ-VVFCZOMOSA-N 442.924 3.839 0 40 IHAB Cc1cccc(C)c1NC(=O)COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 409119411 PPEGMGNHGBOPHR-UHFFFAOYSA-N 438.549 3.842 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)N2CCN(c3ccccc3)CC2)cc1 409348701 OQMHUQRFSOPQAW-UHFFFAOYSA-N 449.576 3.783 0 40 IHAB CN1C(=O)C(=C(Nc2ccc(Cl)cc2)SCCOc2ccccc2)C(=O)N(C)C1=O 409378732 QYEAOURPOKRBBJ-UHFFFAOYSA-N 445.928 3.826 0 40 IHAB C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)c1cncc(C(=O)N[C@@H]2c3ccccc3O[C@H]2C)c1 564685684 MDGWHMVIQMDVTB-NONVMONDSA-N 429.476 3.586 0 40 IHAB Cc1ccc(N2C[C@@H](C(=O)N3Cc4ccccc4[C@@H](c4cnn(C)c4)C3)CC2=O)cc1C 575619469 MHVGXVRTNLESDB-GBXCKJPGSA-N 428.536 3.564 0 40 IHAB CC(C)N1C(=O)C[C@H](C(=O)Nc2ccc(F)c(C(N)=O)c2)[C@H]1c1ccc(Cl)c(F)c1 678943938 FWDLNFUSLSZVSW-IFXJQAMLSA-N 435.858 3.654 0 40 IHAB COc1ccc(N(CC(=O)NC2CCCC2)S(=O)(=O)c2ccc(C)cc2)cc1Cl 654186 CBKAPLXJZLDCNN-UHFFFAOYSA-N 436.961 3.911 0 40 IHAB Cc1cc2cc(CN(C[C@H]3CCCO3)S(=O)(=O)c3ccccc3F)c(=O)[nH]c2cc1C 915037 YXQFLJUPKICEPP-LJQANCHMSA-N 444.528 3.654 0 40 IHAB COc1ccc(C(=O)N2CCN(c3ncnc4c(-c5ccc(F)cc5)nsc34)CC2)cc1 1370684 NHENJLDJASDCMV-UHFFFAOYSA-N 449.511 3.863 0 40 IHAB CCCc1cc2c(=O)n(NC(=O)Cn3nc(C(F)(F)F)cc3C3CC3)c(C)nc2s1 2780321 CLVWGIZZEHNTKT-UHFFFAOYSA-N 439.463 3.582 0 40 IHAB O=C(COc1ccccc1)Nc1ccccc1C(=O)OCC(=O)c1ccc2c(c1)OCCO2 3178302 NCFNNTMFAAZIPF-UHFFFAOYSA-N 447.443 3.515 0 40 IHAB CCOc1ccc(N2C(=O)C[C@@H](N3CCC(CCN4CCC(C)CC4)CC3)C2=O)cc1 4727884 WFBRRYBRJMTQEJ-HSZRJFAPSA-N 427.589 3.551 0 40 IHAB Cc1cc2oc(=O)cc(COC(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)c2cc1Cl 8760378 WGERETWNUHVURN-MRXNPFEDSA-N 425.868 3.847 0 40 IHAB Cc1ccc(-n2c(SCC(=O)N3CCOC3=O)nnc2-c2ccc(Cl)cc2)cc1 9127017 ZNTFEDWBOCHWPZ-UHFFFAOYSA-N 428.901 3.967 0 40 IHAB CN(CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)S(=O)(=O)/C=C/c1ccccc1 9254841 MEBNICGHPJVQJM-SDNWHVSQSA-N 428.510 3.599 0 40 IHAB C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)c2ccc3c(c2)OCCCO3)C1=O 9257431 GEPYOVQHRIHYLR-VWLOTQADSA-N 430.460 3.651 0 40 IHAB COc1ccc(Cl)cc1NC(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 9389412 AXATXYWPHHQNLS-UHFFFAOYSA-N 441.900 3.502 0 40 IHAB Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@H](O)CN(CCO)CCO 9444136 VSGKFYBBHONIJS-XMMPIXPASA-N 444.575 3.931 0 40 IHAB CCOc1ccc(Nc2nc(NCC(OC)OC)nc3c2cnn3-c2ccccc2)cc1 9573577 LVNCCDWMMFGFRX-UHFFFAOYSA-N 434.500 3.989 0 40 IHAB COc1ccc(NC(=O)Cc2csc(NC(=O)Nc3ccccc3OC)n2)c(OC)c1 9625745 KVPPHMQGCXDSQJ-UHFFFAOYSA-N 442.497 3.994 0 40 IHAB COc1ccc(/C=C/C(=O)Nc2ccc(F)cc2F)cc1S(=O)(=O)N1CCCCC1 9633074 XTUGSMXCRVJIME-UXBLZVDNSA-N 436.480 3.800 0 40 IHAB CN(C[C@H]1COc2ccccc2O1)C(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1 9671050 RYTIMPUMCUAMMI-NRFANRHFSA-N 432.476 3.507 0 40 IHAB O=c1c(Cl)c(N2CCC[C@H]2c2ccc3c(c2)OCCO3)cnn1-c1nc2ccccc2[nH]1 9672288 IWGRYUUXVFQIIX-KRWDZBQOSA-N 449.898 3.875 0 40 IHAB CS(=O)(=O)c1ccccc1-c1nnc(NC(=O)CCSc2ccc(Cl)cc2)o1 9707623 ARNQVIMCHKJHAM-UHFFFAOYSA-N 437.930 3.914 0 40 IHAB COc1ccccc1CNC(=O)C1(NS(=O)(=O)c2ccc(Cl)cc2)CCCCC1 9789552 WCQUHDXXUPYVNR-UHFFFAOYSA-N 436.961 3.646 0 40 IHAB CC[C@@H](C)c1ccccc1OCC(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C 10587236 QBEZEKRFJBQBKE-QZTJIDSGSA-N 437.540 3.801 0 40 IHAB CC[C@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O 10748492 ZVVCGFNPWQUFIO-ZDNFIVBRSA-N 443.544 3.571 0 40 IHAB O=C(c1cc(-c2ccc(Cl)cc2)on1)N(Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 11914670 FRLIISOOOPBPAU-GOSISDBHSA-N 448.903 3.964 0 40 IHAB COc1ccc2c(c1)N[C@]1(COC3(CCN(C(=O)Cc4ccncc4)CC3)C1)c1cccn1-2 12086223 GWMRAGLFVJXIPN-AREMUKBSSA-N 444.535 3.526 0 40 IHAB COc1ccc([C@@H]2CN(C(=O)c3csc(C)c3)C[C@H]2c2cc(O)nc(C)n2)cc1OC 12163564 BJYWRXOOWYFXCZ-ZWKOTPCHSA-N 439.537 3.901 0 40 IHAB Cc1c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c(=O)n(-c2ccccc2)n1C 12630376 MXWPMMYLNJOFOT-UHFFFAOYSA-N 445.850 3.957 0 40 IHAB COc1ccc2cc([C@]3(C)NC(=O)N(C[C@H](O)COc4c(C)cccc4C)C3=O)ccc2c1 12748363 DLYTZJZWQHZBAE-LVXARBLLSA-N 448.519 3.672 0 40 IHAB CCOCc1c(C(=O)N2CCN(CC(=O)Nc3cccc(F)c3)CC2)oc2ccccc12 12792886 LWHXSELNWACPLK-UHFFFAOYSA-N 439.487 3.505 0 40 IHAB O=C(c1ccc(Oc2ccccc2)cc1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 12794896 QEFUJJDATNVZDA-DEOSSOPVSA-N 444.487 3.603 0 40 IHAB CCCOc1ccc([C@H]2CN3C(=O)CNC(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1OCC 12873177 SYJPTZGNDKNRFC-DWXRJYCRSA-N 447.535 3.675 0 40 IHAB biogenic O=S(=O)(c1ccccc1F)N1CCN(Cc2ncc(-c3ccc(Cl)cc3)o2)CC1 12873217 RMRDIGUEFGFCPU-UHFFFAOYSA-N 435.908 3.641 0 40 IHAB CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)Nc3ccccc3C)CC2)cc1 13039954 HPZFNOKLOLNXCR-QUCCMNQESA-N 443.613 3.842 0 40 IHAB CC(C)(C)c1ccc(C(=O)OCC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)cc1 13121347 YDAXYVUJZIHRKV-UHFFFAOYSA-N 429.538 3.736 0 40 IHAB CNc1nnc(SCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)s1 13127771 IDMBGOWXCMWGTK-CYBMUJFWSA-N 427.555 3.802 0 40 IHAB Cc1occc1-c1nnc(S[C@@H]2CCCCN(C(=O)c3ccc(F)cc3)C2=O)n1C 13131384 WFNICTQOQKSBMX-QGZVFWFLSA-N 428.489 3.836 0 40 IHAB Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NC(=O)[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)O 13133529 LIZVVNFAFNWMLU-HZMVEIRTSA-N 438.311 3.672 0 40 IHAB CCC[C@H](c1nnnn1C(C)(C)CC)N(CCO)Cc1cc2ccc(C)c(C)c2[nH]c1=O 13499647 VEXZDSNZYKYEEN-HXUWFJFHSA-N 440.592 3.612 0 40 IHAB O=C(CSC(=S)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)Nc1cccc(Cl)c1 13572151 JMECQACYUWGAIW-UONOGXRCSA-N 433.986 3.578 0 40 IHAB CCn1c(CC(=O)Nc2ccccc2C)nnc1SCC(=O)Nc1c(F)cccc1F 13956657 OGPZTFZKSLYISU-UHFFFAOYSA-N 445.495 3.797 0 40 IHAB O=C(NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O)c1ccc(Br)o1 14246145 ZXFGWKALKQVADG-LCYFTJDESA-N 439.262 3.648 0 40 IHAB COC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(C)cc3)c2)cc1 14467694 WRPCQIPNGDFGSM-UHFFFAOYSA-N 438.505 3.859 0 40 IHAB CCOc1ccccc1NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1ccc(OC)cc1 15391225 OCLJHBDOGLCABN-KRWDZBQOSA-N 432.542 3.666 0 40 IHAB Cc1cc(=O)oc2cc(OCc3ccc(C(=O)N4CCN(C(=O)C(C)C)CC4)cc3)ccc12 15516964 FTXHZQJCLRRCCY-UHFFFAOYSA-N 448.519 3.621 0 40 IHAB Cc1noc(C)c1C(=O)Nc1cccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 16021002 WVCGNTLKCNWQLY-UHFFFAOYSA-N 445.479 3.594 0 40 IHAB Cn1ccnc1[C@@H](NC(=O)C[C@H]1Sc2ccccc2NC1=O)c1ccc(Cl)cc1 16262078 UJYYAFFCXXBHLV-MJGOQNOKSA-N 426.929 3.782 0 40 IHAB COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccc(Cl)c(C(=O)O)c2)c(F)c1F 17100782 DEIZMVCRNPBUPB-UHFFFAOYSA-N 436.770 3.730 0 40 IHAB Cc1ccccc1N1C(=O)c2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)cc2C1=O 17357727 CTEFFODQIGOCOT-UHFFFAOYSA-N 439.515 3.754 0 40 IHAB Cc1nc(-c2cccc(NC(=O)COC(=O)CCn3c(=O)oc4ccccc43)c2)cs1 17600537 KOPKCBGSSURBMP-UHFFFAOYSA-N 437.477 3.598 0 40 IHAB Cc1sc2nc(C3CC3)n(C3CCN(CC(=O)N4CCCCCC4)CC3)c(=O)c2c1C 19561263 XTSFCNOXGKXECZ-UHFFFAOYSA-N 442.629 3.992 0 40 IHAB CSCC[C@@H](NC(=O)c1ccc2c(c1)CCCC2)c1cc(=O)[nH]c(-c2cccnc2)n1 19573976 OSBORVNANBENDF-HXUWFJFHSA-N 434.565 3.935 0 40 IHAB Cc1cc(C)n(CC(=O)N2CCO[C@@H](c3nccnc3-c3cccc(C(F)(F)F)c3)C2)n1 19693120 TWKXANCNFVMTME-GOSISDBHSA-N 445.445 3.576 0 40 IHAB CN(C)C(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(C(=O)Cc2ccccn2)CC1 19700114 DOGGLGXPFGDANQ-UHFFFAOYSA-N 442.563 3.626 0 40 IHAB CN(C)c1nc2ccccc2cc1CN1CC[C@H](c2c(C(N)=O)sc3ncccc23)C1 19702125 LGLNWLULPFVUKO-INIZCTEOSA-N 431.565 3.999 0 40 IHAB Cc1noc(C)c1CC(=O)N1CCC[C@H](c2ccc3c(N)nc(-c4ccccc4)nc3n2)C1 19743607 MSJFVMXJQMSINY-SFHVURJKSA-N 442.523 3.828 0 40 IHAB COc1ccc(-c2ncc(CN3CC[C@H](c4cc(C(N)=O)c5ccccc5n4)C3)cn2)cc1 19761917 RELJHKCWLMWACQ-IBGZPJMESA-N 439.519 3.789 0 40 IHAB CCOc1ccc(C(=O)NC(=S)Nc2ccc(OC)c(-c3ccc(CO)o3)c2)cc1 20152814 LSCIKAIECQOIEQ-UHFFFAOYSA-N 426.494 3.973 0 40 IHAB CCNC(=O)c1cc(S(=O)(=O)N[C@H](c2ccccc2)c2ccccc2C)ccc1OC 20455799 JZXAYUHAKARMPK-HSZRJFAPSA-N 438.549 3.821 0 40 IHAB Cc1ccc([C@@H](C)NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3O2)cc1 20461538 RZTBHTLFYBACHM-WZONZLPQSA-N 436.533 3.829 0 40 IHAB CC[C@H](Oc1cccc2ccccc12)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 20488970 UACIFROOCAODFC-QFIPXVFZSA-N 438.549 3.530 0 40 IHAB Cc1cc2oc(=O)cc(COC(=O)CCc3c(C)nc4ncnn4c3C)c2cc1C(C)C 21476601 ITYYHERAJKFRNC-UHFFFAOYSA-N 434.496 3.955 0 40 IHAB CC(=O)c1ccc(NC(=O)COC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 21763167 JQBZUHKXGOLMTI-UHFFFAOYSA-N 449.429 3.701 0 40 IHAB O=C([C@H]1CCCO1)N1CCN(c2nc(-c3cccs3)nc3sc4c(c23)CCC4)CC1 22343663 SBOXEINXNBLGCU-OAHLLOKOSA-N 440.594 3.736 0 40 IHAB Cc1ccc(-c2cnc(CCC(=O)N(C)[C@@H](C)c3ccc(S(N)(=O)=O)cc3)o2)cc1C 22384015 OZHIWXDTZVVNKU-KRWDZBQOSA-N 441.553 3.758 0 40 IHAB CCN1CCN(C(=O)[C@H](C)NC[C@H](c2ccc(N(C)C)cc2)c2c[nH]c3ccccc23)CC1 23907584 NGEZKGNFMZHMJM-GBXCKJPGSA-N 447.627 3.508 0 40 IHAB O=C1C(=O)N(CN2CCc3sccc3[C@H]2c2ccccc2)C(=O)N1Cc1ccccc1 23936993 GSGVTVYITHTMPZ-OAQYLSRUSA-N 431.517 3.644 0 40 IHAB COc1ccc(OC)c([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)c1 23952483 MKDKFMDRFFSZFV-KRWDZBQOSA-N 446.569 3.678 0 40 IHAB CC(C)(C)OC(=O)Nc1ccc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)cc1 24631743 YKLSWQGCHUQNCF-OAQYLSRUSA-N 425.529 3.664 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)c2cc(-c3cccs3)on2)cc1 25378847 NNYXBZWGXUHYAL-AWEZNQCLSA-N 433.555 3.925 0 40 IHAB O[C@H](COc1ccccc1Br)CN1CCN(Cc2ccc(Cl)cc2)CC1 26919814 LRYSLGRFHAALGU-SFHVURJKSA-N 439.781 3.660 0 40 IHAB O=C1c2ccccc2-c2nn(C[C@H](O)COCc3ccc4c(c3)OCO4)c3cccc1c23 28917225 HVAORZJOPLDHSN-INIZCTEOSA-N 428.444 3.554 0 40 IHAB O=C(c1ccc(Cl)cc1)N1CCC(C(=O)N2CCC[C@H]2c2nnc3ccccn23)CC1 29072352 GYGGUVVVWCRJFN-IBGZPJMESA-N 437.931 3.599 0 40 IHAB O=C1c2ccc(C(=O)N3CCC[C@H]3c3cccnc3)cc2C(=O)N1CCc1ccccc1 29297582 RKXRPGRCOPMLQW-QHCPKHFHSA-N 425.488 3.898 0 40 IHAB CSc1ccc(N2C[C@@H](C(=O)N3CCN(c4ccccc4Cl)CC3)CC2=O)cc1 32909180 VXHYBVGRYIQTAO-INIZCTEOSA-N 429.973 3.764 0 40 IHAB C[C@H]1Cc2cccc3c(=O)c(C(=O)Nc4ccc(I)cc4)cn1c23 33088865 SGHCXIPUEPTTIM-NSHDSACASA-N 430.245 3.976 0 40 IHAB O=C1NC2(CCN(C(=O)Nc3ccc(Br)cc3)CC2)N=C1c1cccc(F)c1 35432324 XLOXXFBJUTZSQK-UHFFFAOYSA-N 445.292 3.531 0 40 IHAB CCn1c(CN2CCCc3cc(F)cc(F)c32)nc2cc(S(=O)(=O)N(C)C)ccc21 36754133 BPEWCBJIQTXCQG-UHFFFAOYSA-N 434.512 3.538 0 40 IHAB CCN(CC(=O)NC1CCCCCCC1)S(=O)(=O)c1ccc(Br)cc1 39985896 ARFVDQWEFYYJIY-UHFFFAOYSA-N 431.396 3.689 0 40 IHAB COc1cc(C(=O)O)c(NS(=O)(=O)c2ccc3c(c2)CCCC3)cc1OC(F)F 40115194 ZOUQBKVIHICGRA-UHFFFAOYSA-N 427.425 3.674 0 40 IHAB Cc1cc(C)n(Cc2cccc(CNS(=O)(=O)c3ccc(Br)cc3)c2)n1 40139339 XOFLWHUWDSSDBB-UHFFFAOYSA-N 434.359 3.789 0 40 IHAB COc1ccc(C(=O)CS[C@H]2CCc3c2[nH]c(=O)n(C2CCCCC2)c3=O)cc1OC 41104810 ZRSITCXNQGRPGY-FQEVSTJZSA-N 444.553 3.662 0 40 IHAB COc1ccc(Cl)cc1N([C@@H](C)C(=O)N[C@@H]1CCCc2ccccc21)S(C)(=O)=O 44841321 LEPWFQOAQXJZPK-KBXCAEBGSA-N 436.961 3.697 0 40 IHAB COc1cccc([C@H]2[C@H](Oc3ccccc3Cl)C(=O)N2CCCCN2CCOCC2)c1 48342262 GOJMGXOMMKGWMT-GOTSBHOMSA-N 444.959 3.792 0 40 IHAB Cc1ccc2c(Nc3ccc(Br)cc3)c(C(=O)N3CCOCC3)cnc2n1 49004833 NZXVCYMOHVAANM-UHFFFAOYSA-N 427.302 3.917 0 40 IHAB COc1cc2c(cc1NC(=O)CN1CCN(C(=O)c3ccco3)CC1)oc1ccccc12 53151184 TYMFWBXYJXKEEQ-UHFFFAOYSA-N 433.464 3.584 0 40 IHAB O=C(c1cc(F)c(F)cc1Cl)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 58213976 ZUAHTGAOKFCKDH-UHFFFAOYSA-N 425.266 3.877 0 40 IHAB O=C(NC1CC1)[C@@H]1CCCN(C(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)C1 64996120 CYLBEYRTZJHOSA-CQSZACIVSA-N 425.356 3.559 0 40 IHAB COc1cccc(-c2nc(C(=O)N3CCNC(=O)C[C@H]3c3ccccc3)cs2)c1OC 65489456 DLZYQIMNKGQBDY-SFHVURJKSA-N 437.521 3.531 0 40 IHAB C[C@H](OC(=O)c1cccc(OCC(N)=O)c1)C(=O)Nc1ccc(Oc2ccccc2)cc1 65566795 SHUJBXDGYQITEJ-INIZCTEOSA-N 434.448 3.527 0 40 IHAB COc1ccc(CNC(=O)c2cn(-c3cc(-c4nc(C(C)(C)C)no4)ccn3)cn2)cc1 71768392 WIYUUMCDLFRDGO-UHFFFAOYSA-N 432.484 3.553 0 40 IHAB Cc1nc([C@H]2CCCN(C(=O)Cc3ccccc3)C2)ncc1C(=O)NCc1ccccc1 72345552 ITXGIHFVTQPAHK-QFIPXVFZSA-N 428.536 3.664 0 40 IHAB Cc1nc([C@@H]2CCCN2CC(=O)N2CCC(C)CC2)nc2c1CCCN2Cc1ccccn1 72372888 BQAHRZFVMPQERB-QHCPKHFHSA-N 448.615 3.528 0 40 IHAB COc1ccc(C2(NCc3cc(OC)c(OCC(N)=O)c(OC)c3)CCCCCC2)cc1 78869788 GCXAEHPAESMNQL-UHFFFAOYSA-N 442.556 3.916 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NS(=O)(=O)c1ccc2c(c1)CCCC2 89646990 DJJSOUPAWARHJL-UHFFFAOYSA-N 448.610 3.849 0 40 IHAB CCN(CC)CCNC(=O)c1ccc(NC(=O)CCc2cc(F)ccc2F)cc1OC 89968990 VMFNNCBNPHMFFT-UHFFFAOYSA-N 433.499 3.616 0 40 IHAB O=S(=O)(NC1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1)c1cccs1 90591633 VEKRKJGTKOCSLS-UHFFFAOYSA-N 434.974 3.806 0 40 IHAB COc1ccc2cc([C@H](C)C(=O)N3CCN(S(C)(=O)=O)c4ccccc4C3)ccc2c1 95449732 YMBOBXAJGSBPHN-KRWDZBQOSA-N 438.549 3.760 0 40 IHAB CC(C)n1cnc([C@@H]2CN(C(=O)c3ccccn3)c3ccc(C(=O)NC4CCCC4)cc32)n1 96156411 DZQUOIAFYNBWPT-HXUWFJFHSA-N 444.539 3.719 0 40 IHAB O=C(CN1CCN(Cc2ccc(Cl)cc2Cl)CC1)Nc1cccc2nsnc12 96465820 KNCKKZUELDDAEF-UHFFFAOYSA-N 436.368 3.754 0 40 IHAB COc1ccc(C2=NN(c3ccccc3)[C@H]3C(=O)N(c4ccc(C(C)=O)cc4)C(=O)[C@H]23)cc1 101362089 FHYAABJNXLNRNY-ISKFKSNPSA-N 439.471 3.680 0 40 IHAB Cc1ccc(C)c(NC(=O)CSC(=S)N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)c1 113480507 KACSQVBBBDLRDB-IRXDYDNUSA-N 427.595 3.541 0 40 IHAB COc1ccc(NC(=O)[C@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1OC 113941374 CXNOUDOALCWIFP-NSHDSACASA-N 447.340 3.804 0 40 IHAB Cc1c(C(=O)O)cccc1-n1c(C)cc(/C=c2\sc3nc4ccccc4n3c2=O)c1C 142076278 GRLMWDJCAXYVJS-MTJSOVHGSA-N 429.501 3.871 0 40 IHAB COc1ccccc1CCCNC(=O)CN1c2ccccc2-c2ccccc2S1(=O)=O 219153908 OMBNRACHFUQHLC-UHFFFAOYSA-N 436.533 3.620 0 40 IHAB C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 220198979 WKUSJNWULIJZHC-HOTGVXAUSA-N 442.503 3.997 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)[C@H](CC)N(c1cc(C)ccc1C)S(C)(=O)=O 220532062 XXCBDCQJOQSJFB-IBGZPJMESA-N 432.542 3.663 0 40 IHAB CC[C@H](C(=O)Nc1ccc(Br)cc1)N(c1ccccc1F)S(C)(=O)=O 220586346 DQHZRVZEYKMGSG-OAHLLOKOSA-N 429.311 3.772 0 40 IHAB Cc1ccc(CSCCNC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)cc1 222551769 USPAARGIGNDXRG-UHFFFAOYSA-N 434.627 3.899 0 40 IHAB COc1ccc([C@H](C)NC(=O)c2cn3c4c(cc(Br)cc4c2=O)CC3)cc1 223102764 DKJKXEANUIWXAQ-LBPRGKRZSA-N 427.298 3.820 0 40 IHAB CCCN1C(C)=NS(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(OC)c(OC)c3)ccc21 223114857 ZEQSCSCEROYKDN-AWEZNQCLSA-N 445.541 3.532 0 40 IHAB CC[C@H](NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1)c1ccc(OC)c(C)c1 223167259 ABOCJUXNXUSVCV-INIZCTEOSA-N 446.554 3.537 0 40 IHAB CC(=O)Nc1cccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)c2ccc(C)cc2)c1 223377613 ZYRJXXGXRHSXOW-UHFFFAOYSA-N 449.532 3.957 0 40 IHAB CCOc1ccc(-c2noc(CNS(=O)(=O)c3ccc4c(c3)CCC(C)(C)O4)n2)cc1 223603570 IBOOAZUAFNDRNH-UHFFFAOYSA-N 443.525 3.717 0 40 IHAB CSc1ccc(S(=O)(=O)NCCOc2ccc(C)c(Cl)c2)cc1NC(C)=O 224189928 NEXXVGDEZLQOHL-UHFFFAOYSA-N 428.963 3.686 0 40 IHAB CN(C)S(=O)(=O)c1cccc(C(=O)NCCSCc2ccc(Cl)c(Cl)c2)c1 225419070 MDHSAMRUMWOZBW-UHFFFAOYSA-N 447.409 3.907 0 40 IHAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1cc(OC)cc(OC)c1 225480816 USRCMEIJVIYSKP-FDDCHVKYSA-N 442.556 3.805 0 40 IHAB COCCn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1CCC(=O)Nc1ccccc1 225526027 GUUYWHPUQLYULH-GOTSBHOMSA-N 449.580 3.531 0 40 IHAB CC[C@]1(C)c2sc(=O)[nH]c2S[C@H]2[C@H]3C[C@@H]([C@@H]4C(=O)N(c5ccc(F)cc5)C(=O)[C@@H]34)[C@@H]21 238900198 HYDGNKXEKCMXEV-AEFITAIMSA-N 444.553 3.789 0 40 IHAB Cc1c(Cl)cccc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCCC[C@H]3C)nc(O)c21 253566806 JKGWUPUOQIYGCY-DGCLKSJQSA-N 429.908 3.587 0 40 IHAB O=C(COc1ccc(CN2CCCC2)cc1)N1CCC[C@H]1c1cccc(-n2ccnc2)n1 257213313 CHAPMGALXKBUIE-QHCPKHFHSA-N 431.540 3.606 0 40 IHAB CCN(CC)C(=O)c1cnc(C(C)C)nc1[C@H]1CC[C@H](CNC(=O)[C@@H]2CCCO2)CC1 257236916 HEIBZSSQUYWOID-BJLQDIEVSA-N 430.593 3.651 0 40 IHAB CC(C)N(C(=O)CN1CCO[C@@H](c2cccc(Nc3cnccn3)n2)C1)C1CCCCC1 257272900 NEHNKBSLJABDFQ-OAQYLSRUSA-N 438.576 3.558 0 40 IHAB COCc1cccc(C(=O)N2CCC(COc3ccc(Cl)cc3)(CC(N)=O)CC2)c1 257285291 PGLXGWPYHAIBKN-UHFFFAOYSA-N 430.932 3.663 0 40 IHAB Cc1cccc(CN2CCC[C@H]2c2cc3nc(C)c(CCC(=O)NC4CC4)c(C)n3n2)n1 257312631 UOWJIOQOUWQGFZ-QHCPKHFHSA-N 432.572 3.598 0 40 IHAB Cc1ccc2oc(C(=O)N3CCO[C@H](c4ncncc4-c4ccnc(N)c4)C3)c(C)c2c1 257321693 WCUCNWRIENXHTM-FQEVSTJZSA-N 429.480 3.698 0 40 IHAB Cc1ccc2oc(C(=O)N3CCO[C@@H](c4ncncc4-c4ccnc(N)c4)C3)c(C)c2c1 257321694 WCUCNWRIENXHTM-HXUWFJFHSA-N 429.480 3.698 0 40 IHAB COc1cccc(CN2C[C@@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccsc2)C3=O)c1 306123587 AQXFDUSELITRMN-ZCYQVOJMSA-N 449.576 3.549 0 40 IHAB Cc1ccc(N([C@@H](C)C(=O)NCCSCc2cccc(Cl)c2)S(C)(=O)=O)cc1 408545758 NYMCUFLSRHSXGB-INIZCTEOSA-N 441.018 3.853 0 40 IHAB CS(=O)(=O)N(CC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1Cl 408614347 BEMGSTVLCHZAOM-UHFFFAOYSA-N 431.385 3.844 0 40 IHAB CCCC[C@H](C(=O)OCC(=O)Nc1ccc(C)c(Cl)c1)N1C(=O)c2ccccc2C1=O 408660027 KOUKUPGFWFYELZ-LJQANCHMSA-N 442.899 3.985 0 40 IHAB Cc1ccc(C)n1NC(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)c1 408680775 GNSFNWFWBMCPHZ-GOSISDBHSA-N 434.471 3.620 0 40 IHAB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cccn3-c3ccc(C)c(C)c3)C2=O)cc1 409022160 HBDGCWSNFIAEIU-HYARGMPZSA-N 428.492 3.934 0 40 IHAB CCOC(=O)CN1C(=O)S/C(=C\c2coc3c(Cl)cc(Cl)cc3c2=O)C1=O 409385028 GPMLVPMBOUFIJP-BASWHVEKSA-N 428.249 3.699 0 40 IHAB CCCc1cc(=O)oc2cc(C)cc(O[C@H](C)C(=O)N3CC[C@]4(O)CCCC[C@H]4C3)c12 504736090 QGXFHCQDCFOODI-VDABOFBKSA-N 427.541 3.975 0 40 IHAB biogenic CC(=O)N1CCN([C@H]2CC[C@H](c3ccccc3)CC2)C[C@@](O)(COc2ccc(C)cc2)C1 585281872 DEUUIUORUBUBPJ-RGSZASNESA-N 436.596 3.995 0 40 IHAB COc1cc(N[C@H]2CCCN(C(=O)c3cccc(Nc4ncccn4)c3)C2)cc(OC)c1 676179328 AIANRPQANCXYFA-IBGZPJMESA-N 433.512 3.954 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCO[C@@H](c3cccc(Nc4nccs4)n3)C2)cc1C 2037834637 XUDYPTAXBUVLOW-GOSISDBHSA-N 430.555 3.661 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCC(=O)c3ccc(F)cc3)o2)cc1 922274 NOXNVNYGVRKWEZ-UHFFFAOYSA-N 449.529 3.881 0 40 IHAB COc1cc([C@@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc(Br)c1OC 2119401 PNZVVNMGDOMIBA-RDJZCZTQSA-N 431.286 3.636 0 40 IHAB biogenic COc1ccc(C(=O)CSc2nc3sc4c(c3c(=O)n2C)CCCC4)cc1OC 3457218 FCSSGZHTWGRMIP-UHFFFAOYSA-N 430.551 3.866 0 40 IHAB Cc1ccc(N(C(=O)c2ccccc2)[C@@H]2CS(=O)(=O)C[C@H]2OC(=O)c2ccccc2)cc1 6142358 BUJCHVLKNJBRLM-DHIUTWEWSA-N 449.528 3.664 0 40 IHAB COc1ccc(CCNC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)cc1 6146415 LDGOYSFIFNNDKO-UHFFFAOYSA-N 428.485 3.608 0 40 IHAB Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CCC(C)CC3)cc2c1 6409351 NGNRMNZVNJJHHR-HSZRJFAPSA-N 428.540 3.693 0 40 IHAB CC[C@@H](N[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(C)cc1 8128377 SUCWGUJNNSZYQC-PGRDOPGGSA-N 429.586 3.847 0 40 IHAB Cc1ccc(OCC(=O)OCc2cc(=O)n3nc(-c4cccs4)sc3n2)cc1C 8605626 BMMKWWVJMNBTCP-UHFFFAOYSA-N 427.507 3.619 0 40 IHAB CCOC(=O)[C@@](NC(=O)c1cccnc1)(Nc1ccccc1C(F)(F)F)C(F)(F)F 8626860 WJQOFFYUMRXVCV-INIZCTEOSA-N 435.324 3.764 0 40 IHAB biogenic Cc1ccc(C2=NN(C(=O)COC(=O)c3n[nH]c4ccccc34)[C@@H](c3ccco3)C2)cc1 8725577 SXSLBZCUSJGEPU-HXUWFJFHSA-N 428.448 3.999 0 40 IHAB COc1ccc(CC[C@]2(C)NC(=O)N(CC(=O)c3cccc(Br)c3)C2=O)cc1 8734049 OEVROOLROMQCEQ-NRFANRHFSA-N 445.313 3.584 0 40 IHAB COc1ccc(-c2cc(=O)oc3cc(O[C@H](C)C(=O)NCCCn4ccnc4)ccc23)cc1 8791163 VXJGZXNPBUVEMN-QGZVFWFLSA-N 447.491 3.639 0 40 IHAB biogenic CCN1CCc2c([nH]c3ccccc23)[C@@H]1c1c(O)nc(O)n(-c2cc(C)cc(C)c2)c1=O 9041470 JLGWGMFMZNVPJY-QFIPXVFZSA-N 430.508 3.709 0 40 IHAB biogenic Cn1c(=O)n(Cc2cccc3ccccc23)c(=O)c2c1nc1n2CCCN1c1ccccc1 9090092 JIFVYVXEGWLMNF-UHFFFAOYSA-N 437.503 3.640 0 40 IHAB Cc1cc(C)n2nc(SCC(=O)c3cc(C)n(Cc4ccc5c(c4)OCO5)c3C)nc2n1 9120044 YUYKWXBUHIUZOT-UHFFFAOYSA-N 449.536 3.911 0 40 IHAB CCn1c(SCC(=O)Nc2ccc(C(=O)O)cc2)nnc1[C@H](C)Oc1ccccc1 9306044 ZQPZNOVEYWVXMU-AWEZNQCLSA-N 426.498 3.867 0 40 IHAB CCOC(=O)c1sc(N)c(C(=O)OCC)c1CSCC(=O)Nc1ccccc1F 9509097 KVVSGIGJNMTXEZ-UHFFFAOYSA-N 440.518 3.695 0 40 IHAB COc1ccc(-c2nnc(SCC(=O)N3CCOCC3)n2-c2ccc(Cl)cc2)cc1 9562931 UXUXTYMDTMPNAM-UHFFFAOYSA-N 444.944 3.547 0 40 IHAB COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3ccco3)nn2[C@H]1c1ccncc1 9602037 HOAHYVCWNCPCGZ-FQEVSTJZSA-N 428.452 3.869 0 40 IHAB COc1ccc(OC)c([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cc(C)on2)c1 10233019 FHCWNBCCIHTCLB-HXUWFJFHSA-N 436.395 3.996 0 40 IHAB O=C(NC[C@H](c1cccs1)c1c[nH]c2ccccc12)N1CCN(c2ncccn2)CC1 10467303 NGGDTRJDAJDCSI-IBGZPJMESA-N 432.553 3.683 0 40 IHAB COc1ccc(CN2CCN(c3c(F)cccc3[C@@H](O)c3ccccn3)CC2)cc1OC 12089671 BUDCIKFBOSXSKU-RUZDIDTESA-N 437.515 3.642 0 40 IHAB COc1ccc(-c2ccc(=O)n(CC3CCN(C(=O)c4cc(F)cc(F)c4)CC3)n2)cc1 12142680 OMLAMESXJWRLIA-UHFFFAOYSA-N 439.462 3.750 0 40 IHAB COC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc12 12406891 UBQYFEJVMHKVGL-IRBZQWRBSA-N 447.535 3.806 0 40 IHAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1[C@@H]1Nc2ccccc2C(=O)N1C1CCCC1 12533711 PFRRUZKJEIPUOL-FOIQADDNSA-N 448.976 3.714 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCc4cc(C)ccc43)CC2)c(C)c1 12800149 IDEQKTZBSKOJOA-UHFFFAOYSA-N 426.582 3.992 0 40 IHAB O=C1[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1nn(Cc2ccc(Cl)c(Cl)c2)cc1Cl 13960187 OPOGABGVJOVEIW-XGUBFFRZSA-N 426.687 3.558 0 40 IHAB C[C@@H](C(=O)N[C@@H]1CCCc2ccccc21)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 14093487 XAJNNGRZRDJOQX-OXJNMPFZSA-N 432.490 3.805 0 40 IHAB CC[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1ccc(OC)cc1 15613191 KHOBUJRWFCDTAM-DYESRHJHSA-N 434.533 3.503 0 40 IHAB Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N(C)Cc1ccc(F)cc1 15940606 LSUALKSSZAYYQB-UHFFFAOYSA-N 426.513 3.885 0 40 IHAB CC(=O)c1ccc(N2CCN(C(=O)c3cc(Cl)c4c(c3)OCCCO4)CC2)c(F)c1 16111397 DBSQKJDQWJMTRF-UHFFFAOYSA-N 432.879 3.805 0 40 IHAB Cc1ccc(CN2C(=O)NC3(CCN(C(=O)Nc4ccc(F)c(Cl)c4)CC3)C2=O)cc1 16847625 QYZQWIAJRDCIGI-UHFFFAOYSA-N 444.894 3.906 0 40 IHAB Cc1nc(NC(=S)NC(=O)c2cc3ccccc3o2)ccc1I 17101066 PIDLSPLRBFBKSX-UHFFFAOYSA-N 437.262 3.868 0 40 IHAB O=C(NC1CCCC1)c1cn(Cc2ccc(F)cc2)cc2c(=O)n(-c3ccccc3)nc1-2 17192412 MIJZKKXONNSBHK-UHFFFAOYSA-N 430.483 3.999 0 40 IHAB CC1(C)CC(N(Cc2ccc(F)cc2)Cc2cnc(N3CCOCC3)nc2)CC(C)(C)N1 19460995 ZMMRVBKIFKLAAR-UHFFFAOYSA-N 441.595 3.764 0 40 IHAB CCN1CCN(C(=O)Cc2ccccc2)C[C@H](Cc2cccc(-c3cccnc3)c2)C1=O 19527553 AXBCSRXVCAHZFJ-VWLOTQADSA-N 427.548 3.841 0 40 IHAB Cc1ccc(S(=O)(=O)N/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2)cc1 20323494 FAPAKRWEXBCITG-BZZOAKBMSA-N 433.489 3.788 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(F)cc2)c2ccccc2)cc1 20491540 QLRPHCUJMLWQOW-KRWDZBQOSA-N 442.512 3.907 0 40 IHAB NC(=O)C1CCN(C(=O)[C@H]2c3ccccc3C(=O)N(c3ccccc3)C23CCCCC3)CC1 20745164 QCCGNMRPMDVDRX-HSZRJFAPSA-N 445.563 3.857 0 40 IHAB C[C@H](NC(=O)C(C)(C)C)C(=O)OCC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1 22525223 JUIMXOSASGBCRA-KRWDZBQOSA-N 448.523 3.572 0 40 IHAB CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(OC)c(NC(C)=O)c1 24437097 GJKNKFNYWAAEGZ-UHFFFAOYSA-N 443.319 3.616 0 40 IHAB COCCCn1c(SCc2nnnn2-c2ccccc2)nnc1-c1ccccc1Cl 24502981 VVIRPNAABWUWSU-UHFFFAOYSA-N 441.948 3.903 0 40 IHAB COc1ccccc1/C=C\C=c1/sc2nc(-c3ccccc3Br)nn2c1=O 26962555 BSDYJQQPUPBINP-CLAOVGSUSA-N 440.322 3.802 0 40 IHAB CN(CC(=O)NCc1ccco1)C(=O)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F 29079942 YIAWOOAXQABAFJ-UHFFFAOYSA-N 440.809 3.526 0 40 IHAB COc1ccc(C(=O)C2CCN(C(=O)CCc3c(C)nc4cc(C)nn4c3C)CC2)cc1 31004397 CBMPDGPGBPMEIK-UHFFFAOYSA-N 434.540 3.717 0 40 IHAB COc1ccc(OC)c(-n2cnc3cc(C(=O)N[C@H](C)c4ccccc4)ccc3c2=O)c1 32088115 GZWSSOASPLRNTP-MRXNPFEDSA-N 429.476 3.894 0 40 IHAB CCOC(=O)c1cc(C(=O)c2ccccc2)n2c(=O)/c(=C/c3ccc(Cl)cc3)sc12 33422057 BMQAALMMSSPMJK-UNOMPAQXSA-N 437.904 3.970 0 40 IHAB Cc1cc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)ccc1-n1cnnn1 40079623 NURYAPVPYFUUES-UHFFFAOYSA-N 435.491 3.753 0 40 IHAB CCc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(Nc3cccc(Cl)c3)[nH]c(=O)c21 40399355 HKWLDHMVQVGINA-OAHLLOKOSA-N 437.887 3.794 0 40 IHAB CCOc1cc([C@H]2C(C(=O)Nc3ccccc3OCC)=C(C)Nc3ncnn32)ccc1O 40485087 PSKSQFXSYXWXOR-NRFANRHFSA-N 435.484 3.709 0 40 IHAB O=C(Nc1ccc(N2CCCN(C(=O)C3CC3)CC2)cc1)c1cncc(Br)c1 44225705 KSIJCBSZANHBDF-UHFFFAOYSA-N 443.345 3.545 0 40 IHAB Cc1cccc(C)c1NC(=O)CSc1nc2[nH]ncc2c(=O)n1-c1ccc(F)c(F)c1 51316769 VVPZKMDCZGOXCX-UHFFFAOYSA-N 441.463 3.735 0 40 IHAB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(Br)cc1F 58092916 RBTGSKHLWMYCHH-VIFPVBQESA-N 435.702 3.547 0 40 IHAB O=C(NC[C@H]([C@H]1CCOC1)N1CCCC1)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 58434004 XLHGSNHCQYZHSA-PGRDOPGGSA-N 446.567 3.967 0 40 IHAB COc1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2CCC(C)C)c(OC)c1 67237955 XCUPARYQGFJUDP-UHFFFAOYSA-N 444.557 3.827 0 40 IHAB CC(=O)c1cccc(NC(=O)Cn2cc(-c3nc(-c4cccc(C)c4)no3)ccc2=O)c1 67289561 JMLZVGLIXLSGCX-UHFFFAOYSA-N 428.448 3.715 0 40 IHAB CCOc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccc(C)cc3Cl)c2C)cc1 67323301 WOOQFOLVUCHMOG-UHFFFAOYSA-N 427.892 3.838 0 40 IHAB CC(C)Nc1n[nH]c2nc([C@@H]3CCCN3C(=O)c3ccc(OCCN(C)C)cc3)ccc12 72374559 GAQRXDTZKWIFQI-NRFANRHFSA-N 436.560 3.696 0 40 IHAB NC(=O)c1ccc(-c2cnc(N)nc2[C@@H]2CCCCN2CCOc2ccc(F)cc2)cc1 72377105 CGJZKAMZDZVNJQ-NRFANRHFSA-N 435.503 3.570 0 40 IHAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCC1CCN(C(=O)Oc2ccccc2)CC1 77200903 SOLXKUCRJQPHTE-UHFFFAOYSA-N 436.487 3.867 0 40 IHAB O=C(CCc1nnc(-c2ccsc2)o1)Nc1cc(C(F)(F)F)cc2c1OCC(=O)N2 79013608 BCZRLIBSEWEZHH-UHFFFAOYSA-N 438.387 3.719 0 40 IHAB CS(=O)(=O)Cc1ccc(C(=O)N(CC(F)(F)F)[C@@H]2CCCc3cccnc32)cc1 95462412 SCUUTPNQOYOCLD-QGZVFWFLSA-N 426.460 3.708 0 40 IHAB COc1ccc(CN2C(=O)N[C@@H](CC(=O)Nc3cccc4c3ccn4CC(C)C)C2=O)cc1 96116404 NLBMCERHXODLBI-NRFANRHFSA-N 448.523 3.755 0 40 IHAB biogenic COc1cc2cc(C(=O)NC3CCN(Cc4ccc(F)cc4)CC3)n(C)c2cc1OC 96117069 FNBCZBDUPLJIIX-UHFFFAOYSA-N 425.504 3.729 0 40 IHAB CN1CC[C@@]2(C(=O)Nc3cccnc3)CCN(C(=O)Nc3ccc(Cl)cc3)CC[C@@H]12 96145292 MKIYQILFHUTKOE-DENIHFKCSA-N 427.936 3.692 0 40 IHAB COc1ccc(C)cc1N(CC(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2)S(=O)(=O)c1ccc(C)cc1 100610447 DXDYIXHWLVOUSY-SBHAEUEKSA-N 442.581 3.812 0 40 IHAB CC1(C)[C@H]2CC[C@]1(C)[C@H](n1c(=O)n3n(c1=O)[C@@H]1[C@H]4[C@@H]5[C@@H]6[C@H]4[C@]14CCc1ccccc1[C@@]64[C@@H]53)C2 104293859 SIOJNJDNFFYJBS-RILSWQKASA-N 441.575 3.684 0 40 IHAB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1OCC(N)=O 214155775 YOLRMSVWBGOLOZ-VCHYOVAHSA-N 446.912 3.839 0 40 IHAB CN1c2ccccc2C(c2ccccc2)=C(C(=O)Nc2ccc3c(c2)OCCO3)S1(=O)=O 219179533 OPRWGJJFYZKZDL-UHFFFAOYSA-N 448.500 3.636 0 40 IHAB COc1cccc(CCCNC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)c1 220006344 SZLJPBQSWGZIFX-UHFFFAOYSA-N 430.570 3.623 0 40 IHAB CC[C@H](C(=O)Nc1ccccc1OC)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 220755845 JCUGUGIXFALESA-OAHLLOKOSA-N 426.922 3.541 0 40 IHAB CCOc1ccc(NS(=O)(=O)c2ccc(OCc3nnc(N)s3)c(Cl)c2)cc1 222641653 RFAAPIZGTZACFO-UHFFFAOYSA-N 440.934 3.552 0 40 IHAB CSc1ccc(S(=O)(=O)NCCOc2cccc(C)c2C)cc1C(=O)N1CCCC1 223940782 CWCAKUZVCCERBH-UHFFFAOYSA-N 448.610 3.619 0 40 IHAB CC(C)CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCc1ccc2c(c1)OCCO2 224512521 MOUSVGIPWWJXBD-HXUWFJFHSA-N 438.568 3.622 0 40 IHAB CN1c2ccccc2C(c2ccccc2)=C(C(=O)NCCc2ccc(F)cc2)S1(=O)=O 224567597 VQZNWYZZHRPKMZ-UHFFFAOYSA-N 436.508 3.724 0 40 IHAB COC(=O)CN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc(C)cc1 224689362 JXXKFJWZJVGVKZ-UHFFFAOYSA-N 425.506 3.942 0 40 IHAB Cc1cccc(C(C)C)c1N(CCCC(=O)NCCOCc1ccccc1)S(C)(=O)=O 224857974 WVXRMEGTCJJJBH-UHFFFAOYSA-N 446.613 3.998 0 40 IHAB C[C@H]1C[C@@H](C)CN(c2cc(Cl)nc(NC(=S)NCc3ccc4c(c3)OCCO4)n2)C1 226016126 DXCYKTJERLANCC-OKILXGFUSA-N 447.992 3.870 0 40 IHAB O=C(c1ccccc1Cn1cccn1)N1CCOC[C@@H](Cc2cccc3cccnc23)C1 257212152 CCCZFMOFWVUXMU-FQEVSTJZSA-N 426.520 3.811 0 40 IHAB O=C(c1cccc(Cn2ccnc2)c1)N1CCOC[C@@H](Cc2ccc3ccncc3c2)C1 257247693 JABITYBXDLOIEC-QFIPXVFZSA-N 426.520 3.811 0 40 IHAB Cc1cccc(CN2CCC[C@@H]2c2cc3nc(C)c(CCC(=O)NC4CC4)c(C)n3n2)n1 257312630 UOWJIOQOUWQGFZ-HSZRJFAPSA-N 432.572 3.598 0 40 IHAB COc1ccc([C@H]2CN(C(=O)C3(Cc4ccc(F)cc4)CCN(C)CC3)CCN2C)cc1 257322294 WFJFXEGAIHNJSQ-XMMPIXPASA-N 439.575 3.604 0 40 IHAB O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CC(N2CCc3ccccc3C2)C1 390828170 PGWFMLLAMJZQIA-UHFFFAOYSA-N 430.879 3.790 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1 408586334 BESIUSRQGCUZHT-UHFFFAOYSA-N 426.897 3.527 0 40 IHAB CCc1cccc(C)c1NC(=O)CSc1nnc([C@@H](C)NC(=O)c2ccccc2)n1C 409343795 GNPCBMZFDIFJLX-MRXNPFEDSA-N 437.569 3.908 0 40 IHAB CC(=O)NCCCOc1ccc(CN2CCC[C@](O)(COc3ccccc3F)CC2)cc1 585281119 WJBHIVOMHHYCHX-RUZDIDTESA-N 444.547 3.527 0 40 IHAB O=C(C[C@@H]1OCCc2ccccc21)N1CCC(N(C(=O)C(F)(F)F)c2cccnc2)CC1 1149290205 HUHIBLOFSDOWLG-FQEVSTJZSA-N 447.457 3.672 0 40 IHAB Cc1cc(C)c2cc(CN(C[C@@H]3CCCO3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1 923166 WIDJIBCMSVEYAO-IBGZPJMESA-N 426.538 3.515 0 40 IHAB CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]2[C@@H]2CCCN21 2214484 FPNPKKNUBZDJTB-UJAPCULTSA-N 449.938 3.642 0 40 IHAB Nn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1-c1ccccc1Cl 2373521 SDHHHJFITLDQBU-UHFFFAOYSA-N 438.738 3.806 0 40 IHAB O=C(CSc1nnnn1-c1ccc(O)cc1)N(CCc1ccccc1)Cc1ccccc1 2648605 ZQPCZPPPFVWPOR-UHFFFAOYSA-N 445.548 3.732 0 40 IHAB O=C1c2cccc(OCC(=O)N3CCc4ccccc43)c2CCN1Cc1ccc(F)cc1 2716378 OONGUUNGADNXNA-UHFFFAOYSA-N 430.479 3.992 0 40 IHAB CSc1nsc(SC)c1NC(=O)OCCCNS(=O)(=O)c1ccc(C)cc1 3090166 PBKCSELFDDACGP-UHFFFAOYSA-N 447.629 3.812 0 40 IHAB O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)NC(c1ccccc1)c1ccccc1 3600743 RMYLLTZCCPDEJN-MHZLTWQESA-N 439.515 3.676 0 40 IHAB CC[C@H]1CN(C(=O)c2ccnc(Cl)c2)CC[C@H]1CC(=O)NCc1ccc(OC)cc1 5434168 SOMABHZBHGAJQN-ROUUACIJSA-N 429.948 3.938 0 40 IHAB biogenic,in-vitro O=C(COC(=O)c1cc(O)c2ccccc2c1O)Nc1ccccc1C(=O)NC1CCCC1 8755763 DCJOEAAUYUOHGN-UHFFFAOYSA-N 448.475 3.719 0 40 IHAB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC[C@@H]1COc2ccccc2O1 8882950 MIFMNKAIWHBPKQ-KUHUBIRLSA-N 437.323 3.704 0 40 IHAB COc1ccc(OC)c(NC(=O)[C@H]2C[C@H](CC(C)C)N[C@]23C(=O)Nc2c(C)cccc23)c1 9129854 JRZFJSSWPYTXPC-WEVXLUSXSA-N 437.540 3.823 0 40 IHAB CCOc1ccc([C@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2C(=O)C(C)C)cc1 9378562 PISAFNRCYRUHPP-OAQYLSRUSA-N 429.542 3.791 0 40 IHAB COc1ccc(C(=O)Nc2ccc(-c3csc(C)n3)cc2)cc1S(=O)(=O)NC1CC1 9504031 JUWWISBDIUSKNU-UHFFFAOYSA-N 443.550 3.820 0 40 IHAB O=C(CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)NCCc1ccc(F)cc1 9508078 SPLQCXCAOWYLJB-KRWDZBQOSA-N 446.573 3.776 0 40 IHAB O=C(COc1ccc(CCO)cc1-n1nc2ccccc2n1)N[C@H]1CCCc2ccccc21 9547289 FBQLQAXCZRGASF-NRFANRHFSA-N 442.519 3.528 0 40 IHAB O=C(CSc1nnc(NC(=O)Cc2cccs2)s1)NCc1ccccc1Cl 9600176 NSVYXCQRTHYOTD-UHFFFAOYSA-N 438.987 3.843 0 40 IHAB COc1cccc(C(=O)N2N=C(c3ccc(NS(C)(=O)=O)cc3)C[C@@H]2c2ccco2)c1 9673718 ULZNMDFHJCVCBL-HXUWFJFHSA-N 439.493 3.651 0 40 IHAB O=C1NCCc2c(OCC(=O)N3N=C(c4cccs4)C[C@H]3c3ccc(F)cc3)cccc21 9743393 VLTBGRZMHIKUOV-FQEVSTJZSA-N 449.507 3.930 0 40 IHAB COc1cn(CC(=O)Nc2cccc(Cl)c2)c(CSc2nnc(C)s2)cc1=O 10254766 LGPJIWNLPOKCMG-UHFFFAOYSA-N 436.946 3.601 0 40 IHAB O=C(COc1cccc(C(F)(F)F)c1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 10860398 CMAZXSIXSJCQPN-UHFFFAOYSA-N 442.459 3.898 0 40 IHAB C[C@@H](Sc1ncnc2c1cnn2C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 11678474 YLVFFHKGALOZIL-SECBINFHSA-N 432.481 3.884 0 40 IHAB COCCCN(C(=O)Cn1c(-c2ccc(F)cc2)cc2cccnc21)C1CCN(C)CC1 12144012 UGCKHUUUJSMFPW-UHFFFAOYSA-N 438.547 3.802 0 40 IHAB C[C@H]1CCc2c(sc3nc(CN4CCOCC4)nc(N(C)CCc4ccccn4)c23)C1 12544150 JRPRBCVIKNBHIY-KRWDZBQOSA-N 437.613 3.722 0 40 IHAB COc1ccc(OC)c(CNC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)c1 12735744 LHRYKEYEZLMTNP-UHFFFAOYSA-N 444.484 3.574 0 40 IHAB CCCOc1ccc(OCCOC(=O)c2sc3nc4n(c(=O)c3c2C)CCC4)cc1 12818887 RDAYLGALWDNHJN-UHFFFAOYSA-N 428.510 3.737 0 40 IHAB CC[C@@H]1CCCCN1C(=O)COc1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 12901570 LHSIYTHDRIUQAL-LJQANCHMSA-N 430.570 3.990 0 40 IHAB CNS(=O)(=O)c1ccc(CCC(=O)NCCc2c(C)cc(C(C)(C)C)cc2C)cc1 13023848 KUJHQIAAIZEEKJ-UHFFFAOYSA-N 430.614 3.801 0 40 IHAB CCCc1ccc(S(=O)(=O)N2CCN(CC(=O)c3c(C)[nH]c4ccccc34)CC2)cc1 13038624 UIMKBINZOBZHKB-UHFFFAOYSA-N 439.581 3.618 0 40 IHAB COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)c1 13098219 LKNPHDZYXNCTBX-SJPCQFCGSA-N 442.537 3.830 0 40 IHAB O=c1[nH]c(CN(Cc2cccs2)S(=O)(=O)c2ccc(F)cc2)nc2ccccc12 13511400 KBGRVHCSQVBIJA-UHFFFAOYSA-N 429.498 3.515 0 40 IHAB CC(C)c1ccc(N(CC(=O)NCCCN2CCCC2)S(=O)(=O)c2ccccc2)cc1 13671799 HHFYPJIQDLAIJJ-UHFFFAOYSA-N 443.613 3.607 0 40 IHAB COc1ccc(N(Cc2cccs2)S(=O)(=O)c2ccc(CNC(C)=O)cc2)cc1 14228832 RZNVTRBIOBNCOX-UHFFFAOYSA-N 430.551 3.788 0 40 IHAB Cc1ccc(OCc2nc(C(=O)Nc3ccc(C)c(S(=O)(=O)N(C)C)c3)cs2)cc1 15583366 DEQRFLXFRGITRW-UHFFFAOYSA-N 445.566 3.842 0 40 IHAB CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccnn2Cc2ccc(C)cc2)c1 18949070 UQVUPWQGYDOTKM-UHFFFAOYSA-N 426.542 3.523 0 40 IHAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3ccccc3Cl)c12 19165848 VKZXRHILDPLPTQ-AWEZNQCLSA-N 444.944 3.882 0 40 IHAB CCC(=O)N[C@@H]1c2ccccc2CC[C@]12CN(Cc1ccccc1)C[C@@H]2C(=O)NC(C)C 19499284 SPTBKQXXKNZLTF-DFZDUAMZSA-N 433.596 3.843 0 40 IHAB CCNC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CN(C(=O)C2CCCCC2)CCO1 19529239 MXQWRRVORVNYSO-SANMLTNESA-N 435.568 3.605 0 40 IHAB COc1ccc(NC(=O)[C@@H]2C[C@@H](C3CCN(Cc4ccccc4OC)CC3)N(C)C2)cc1 19587707 CGGRSJSDHFWMTR-QPPBQGQZSA-N 437.584 3.875 0 40 IHAB Cc1cnc2c(C(=O)N3CCO[C@H](c4ccc(Cc5ccccc5Cl)cn4)C3)cnn2c1 19692229 KCUIXJATAWAILK-QFIPXVFZSA-N 447.926 3.891 0 40 IHAB CC(=O)N[C@H]1C[C@@H](c2ccccc2NC(=O)c2cnn3c(C)cc(C)nc23)O[C@@H](C(C)C)C1 19712180 WRYKCCWZQDQLPG-YSZBQJHXSA-N 449.555 3.979 0 40 IHAB COc1ccc(CN2CCC[C@H](c3nc(C)c4c(n3)N(C)C(=O)CC4)C2)cc1OC(C)C 19741499 PZNILUZYCLXTJR-IBGZPJMESA-N 438.572 3.869 0 40 IHAB O=C(C[C@@H]1C(=O)N(CCCn2ccnc2)c2nc3ccccc3n21)Nc1ccc(Cl)cc1 19819469 AACXJWYHOBGLRE-HXUWFJFHSA-N 448.914 3.893 0 40 IHAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1C 19932754 FPJCIFHAJZSNCS-HNNXBMFYSA-N 431.539 3.967 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(F)ccc3F)C2)cc1Cl 20016852 AOXYAVCTTCETIK-GFCCVEGCSA-N 444.887 3.666 0 40 IHAB CSc1ccc([C@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 20017855 XVFZCCCDSPYQLA-HNNXBMFYSA-N 436.574 3.826 0 40 IHAB O=C(c1ccc(Cl)cc1)N1CCC(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 20369081 MIDWVDNQNVVUEK-UHFFFAOYSA-N 429.923 3.680 0 40 IHAB CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)c1=O 21531260 XCRFZSKBWHUSIW-UHFFFAOYSA-N 440.459 3.630 0 40 IHAB CCn1cc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c(=O)c2cc(OC)ccc21 22236037 RFILABDZNWEKGR-JXMROGBWSA-N 431.536 3.501 0 40 IHAB COc1cc(C(=O)N[C@H](C)c2cc(C)c(C)cc2C)c(N(C)S(C)(=O)=O)cc1OC 22606223 HHCSXNCXHVPAGY-MRXNPFEDSA-N 434.558 3.516 0 40 IHAB CCOc1ccc([C@@H](CNC(=O)[C@@H](CC)c2ccccc2)N2CCOCC2)cc1OC 22785514 OWOBSSLZEZCBMU-FCHUYYIVSA-N 426.557 3.777 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)c(Cl)c1 25367633 MLACJIIUSROHGY-UHFFFAOYSA-N 445.766 3.979 0 40 IHAB COc1ccc(OC)c(N(CC(=O)c2ccc(OC)c(OC)c2)C2=NCCCS2)c1 27027342 ONCYEINSILFMKY-UHFFFAOYSA-N 430.526 3.903 0 40 IHAB O=C(NCCC(=O)N1CCC([C@H](O)c2ccccc2)CC1)c1ccc(Br)cc1 29193604 ROQQLMFPLKTWCX-OAQYLSRUSA-N 445.357 3.541 0 40 IHAB CC(=O)NCc1ccc(-c2csc(NC(=O)CSc3ccc4c(c3)OCCO4)n2)o1 29355691 ZNDSJOLMRUQZGN-UHFFFAOYSA-N 445.522 3.541 0 40 IHAB CC(C)[C@H](NC(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C)c1cccs1 29788878 OSBKWEMRUUZUNG-JTHBVZDNSA-N 425.554 3.951 0 40 IHAB CC(C)c1nnc(SCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)n1Cc1ccco1 29964294 DONSZXNJJJXGIU-HNNXBMFYSA-N 439.541 3.899 0 40 IHAB O=C(Cn1ncc2ccccc2c1=O)NCc1ccc(-c2ccc(Br)cc2)o1 30620990 CVKIQMZKPPNMCC-UHFFFAOYSA-N 438.281 3.735 0 40 IHAB COc1ccc(-c2nc(CC(=O)Nc3nnc([C@H]4CCCO4)s3)cs2)cc1OC 36357564 NYCSXTLCDBNGQV-CQSZACIVSA-N 432.527 3.712 0 40 IHAB COc1c(C(=O)NCC(C)C)cn(C)c1-c1nc2cc(NC(=O)c3ccco3)ccc2n1C 36370022 LAKLSCIRKHXLRS-UHFFFAOYSA-N 449.511 3.819 0 40 IHAB biogenic CC[C@@H](Oc1ccccc1C)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC 38754144 YFMVEMZYKXCCFD-HXUWFJFHSA-N 446.569 3.974 0 40 IHAB COc1ccc(-c2cnn3c(C)c(C(=O)N4CCN(c5ccccc5)CC4)cnc23)cc1 38829646 XRXKUTLDIWRUPK-UHFFFAOYSA-N 427.508 3.676 0 40 IHAB COc1cccc([C@@H]2CC(O)=Nc3c2c(C)nn3-c2ccc3nnc(C)n3n2)c1OC(C)C 40286471 PNXITRFOBZUQIT-INIZCTEOSA-N 447.499 3.846 0 40 IHAB CCN1CCN(C(=O)c2nnc3c(-c4cccc(Cl)c4)c(C(C)C)nn3c2C)CC1 40385113 KHIADGVTOAICFS-UHFFFAOYSA-N 426.952 3.654 0 40 IHAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 44880514 ADWZUKWBMYIZLP-FQEVSTJZSA-N 441.509 3.687 0 40 IHAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 44880517 ADWZUKWBMYIZLP-HXUWFJFHSA-N 441.509 3.687 0 40 IHAB COc1cccc(C(=O)Nc2ccccc2-c2cn3c(CN4CCNCC4)csc3n2)c1 45498676 FXNUSBGUIMZVRS-UHFFFAOYSA-N 447.564 3.729 0 40 IHAB O=C(Cn1c(=O)n(-c2ccccc2F)c(=O)c2sccc21)Nc1ccc(Cl)cc1 57490504 YHUUASRZCZXYAX-UHFFFAOYSA-N 429.860 3.645 0 40 IHAB COc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)NC3CCCCC3)CC2=O)cc1 59131910 FZDGDGVLXNOOIQ-KRWDZBQOSA-N 435.524 3.749 0 40 IHAB COc1cc(/C=C/C(=O)NCC(=O)O)cc(Br)c1OCc1cccc(C)c1 62715491 VQEBTXZWEHEIFU-VOTSOKGWSA-N 434.286 3.559 0 40 IHAB O=C(CSc1nnc(-c2ccc3c(c2)OCCCO3)n1C1CC1)NCc1cccs1 64987142 WUYZHBPTCYIWAJ-UHFFFAOYSA-N 442.566 3.911 0 40 IHAB CC(=O)N[C@@H]1CCN(C(=O)[C@@H](OC(C)=O)c2ccccc2)[C@@H](Cc2ccc(Cl)cc2)C1 80122885 ZKNOZMLEELSSCI-VJBWXMMDSA-N 442.943 3.683 0 40 IHAB O=C(NC[C@H](O)c1cc2ccccc2s1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 84595011 KVNHLXSVQYEYTD-HKUYNNGSSA-N 426.513 3.742 0 40 IHAB COc1cccc(OC[C@@H](O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)c1 95117152 ZHUXRTUSBISOBN-FQEVSTJZSA-N 445.512 3.778 0 40 IHAB COc1ccc(CN2CCN(C(=O)c3cccc(C(=O)OC(C)(C)C)c3)CC2)cc1F 95455459 IHPRZAUJGCYOOE-UHFFFAOYSA-N 428.504 3.748 0 40 IHAB COc1ccc([C@@H](CNC(=O)CN(C[C@H]2CCOC2)C2CC2)c2c[nH]c3ccccc23)cc1 105582712 LIOZTIFAUAGVBI-NTKDMRAZSA-N 447.579 3.926 0 40 IHAB O=C(CCn1cnc2ccccc2c1=O)N1CCC(COc2nc3ccccc3s2)CC1 206599808 QKNAZOGPEMEHGF-UHFFFAOYSA-N 448.548 3.714 0 40 IHAB CCOC(=O)c1ccc(C)c(NC(=O)[C@H](CC)N(c2cc(C)cc(C)c2)S(C)(=O)=O)c1 220578016 VNMKTKCJGUYLJJ-NRFANRHFSA-N 446.569 3.972 0 40 IHAB O=C(NCCSCc1cccc(Cl)c1)c1ccc(N2CCCCS2(=O)=O)cc1 222580059 MHHPVCHMOMHVNN-UHFFFAOYSA-N 439.002 3.933 0 40 IHAB CC(C)CSc1nnc(NC(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)s1 222585266 IIZFMYISOPPHEH-NSHDSACASA-N 449.023 3.733 0 40 IHAB CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCc1ccc2c(c1)OCO2 223465597 UIWPGWACYURLRE-SFHVURJKSA-N 440.540 3.690 0 40 IHAB CCc1ccc(OCCNC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 223713117 UYSGEYCBIMQHSJ-UHFFFAOYSA-N 445.368 3.517 0 40 IHAB CSc1ccc(S(=O)(=O)NCCOc2cc(C)ccc2C)cc1NC(=O)C(C)C 224049202 HMXIAKUESUMZAN-UHFFFAOYSA-N 436.599 3.977 0 40 IHAB COC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2C)c1 224115190 CVAJTXDNNNOZRT-UHFFFAOYSA-N 438.505 3.859 0 40 IHAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)c2cc3c(ccc4ccccc43)o2)cc1 224223062 NUHJGRODEOPAMV-UHFFFAOYSA-N 438.505 3.645 0 40 IHAB COc1ccccc1OCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NCC(C)C 224244224 GMJMDBCRAKEUNK-QGZVFWFLSA-N 432.948 3.917 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(C(=O)NCc3ccncc3)c2)cc1 224341982 UUPGWDKYAILGFW-UHFFFAOYSA-N 429.929 3.799 0 40 IHAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-n1cnnc1 224392588 BYQUPWOEYJIYPW-LEWJYISDSA-N 433.516 3.719 0 40 IHAB NC(=O)[C@@H]1CCCN(C(=O)C2(Cc3cccc(-c4ccc(F)c(F)c4)c3)CCOCC2)C1 257341177 ZJDABUOMKJAKCR-HXUWFJFHSA-N 442.506 3.695 0 40 IHAB COc1ccc([C@H](CC(C)C)NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1 260897673 JVXCIYLRDKCCRC-REWPJTCUSA-N 444.597 4.000 0 40 IHAB O=C1N(Cc2ccsc2)CCO[C@@]12CN(Cc1ccsc1)C[C@H]2c1cccnc1 306128469 HAZXZJMYRAXVRQ-RBBKRZOGSA-N 425.579 3.602 0 40 IHAB Cc1ccc(N2C[C@H](C(=O)Nc3cccc(C(=O)Nn4c(C)ccc4C)c3)CC2=O)cc1 408687401 UDEILOAFHAUKLF-HXUWFJFHSA-N 430.508 3.789 0 40 IHAB CCc1ccc(CNC(=O)C(=O)Nc2ccccc2C(=O)NCc2ccccc2C)cc1 408709629 VPFHWVGOGILOHO-UHFFFAOYSA-N 429.520 3.742 0 40 IHAB COc1cc2c(cc1/C=C1/SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C1=O)OCO2 409087113 GIWAOVUDPUFUNN-UFWORHAWSA-N 440.477 3.716 0 40 IHAB Cc1cc(C)cc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)c1 409134559 SDASBMLOPZUVGV-HNNXBMFYSA-N 445.313 3.601 0 40 IHAB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(OC)cc(OC)c3)C2=O)cc1 409182025 HMTDYERGPOYJPY-YBFXNURJSA-N 426.494 3.941 0 40 IHAB COc1ccc(/C=C2\SC(=O)N(CC(=O)NCc3ccc(C)cc3)C2=O)c(OC)c1C 409202742 UMEZSOMGUGKHPS-ODLFYWEKSA-N 440.521 3.673 0 40 IHAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCCC3)C2=O)c(C)cc1OC 409215134 WYJQRHUDTNGOPB-UYRXBGFRSA-N 432.542 3.841 0 40 IHAB CCOc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3CC)C2=O)c(OCC)c1 409238348 NCOODWZQMIUIRJ-DEDYPNTBSA-N 437.496 3.578 0 40 IHAB C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)C(=O)NCC2 644605368 IAXSLRGFVZHSOM-TYCQWZJGSA-N 431.536 3.695 0 40 IHAB CS(=O)(=O)c1cc(NC(=O)N2CCC[C@H]2COc2ccc(F)cc2)ccc1Cl 1623806947 XGNSRBVXUHEYJC-HNNXBMFYSA-N 426.897 3.958 0 40 IHAB O=C1CO[C@@]2(CCCN(Cc3cnc(-c4ccccc4)nc3)C2)CN1c1cccc(F)c1 2037989148 XIEFYKLGXNLRJT-RUZDIDTESA-N 432.499 3.681 0 40 IHAB CS(=O)(=O)N1CCN(c2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2)CC1 805003 NYJBZSCFWFXJKH-UHFFFAOYSA-N 449.576 3.539 0 40 IHAB CCOC(=O)c1c(NC(=O)c2cc3cc(OC)ccc3oc2=O)sc(C(C)=O)c1C 845550 NYJFPPZPCVMZAY-UHFFFAOYSA-N 429.450 3.803 0 40 IHAB CCOc1ccccc1N1C(=O)[C@@H]2C3c4ccccc4C(C(=O)O)(c4ccccc43)[C@@H]2C1=O 849900 ANZGRBZHUYMSGD-FPAXGFGJSA-N 439.467 3.721 0 40 IHAB Cc1cc(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)c(C)n1CCc1ccc(F)cc1 2662114 RZPNHNCVSLXNJO-UHFFFAOYSA-N 425.504 3.924 0 40 IHAB Cc1ccc(N(C(=O)[C@H]2CCC(=O)N2)C2(C(=O)NC3CCCCC3)CCCCC2)cc1 4099669 XQHGHOFDPMYLKY-OAQYLSRUSA-N 425.573 3.758 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)c2cccc(OC)c2)cc1 8448104 RJZFRVROMDYOTP-UHFFFAOYSA-N 441.480 3.797 0 40 IHAB Cc1c(-c2ccccc2)oc2c(C(=O)NC[C@@H](O)COCc3ccco3)cccc2c1=O 8764841 DDRICLUXLZCFSG-GOSISDBHSA-N 433.460 3.669 0 40 IHAB biogenic CC(C)c1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2[C@@H]2CCS(=O)(=O)C2)cc1 8917050 WNKOOTZLXXNYMW-UTKZUKDTSA-N 437.517 3.649 0 40 IHAB O=C(c1cc2cc(Cl)ccc2o1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 8942485 DNYCZRRVQRLXRW-MDWZMJQESA-N 430.913 3.845 0 40 IHAB Cc1ccc(O)c(NC(=O)CSc2nnc(-c3cc(Br)ccc3O)n2C)c1 9189630 IEKUQFBDALJIQZ-UHFFFAOYSA-N 449.330 3.695 0 40 IHAB CCOC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c(NC(=O)c3ccccc3)scc12 9381658 BHSPFHWVCVZSFV-UHFFFAOYSA-N 449.488 3.885 0 40 IHAB Cc1cc(C)cc(NC(=O)CSc2nc3nccnc3c(=O)n2Cc2cccs2)c1 9405360 BPXNLDJGTDCHJC-UHFFFAOYSA-N 437.550 3.644 0 40 IHAB COc1ccc(NC(=O)CSc2ccc3nnc(-c4cccc(F)c4)n3n2)c(OC)c1 9415021 LBHPWPGMTLSQDW-UHFFFAOYSA-N 439.472 3.678 0 40 IHAB C[C@H](NC(=O)COC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccc(Cl)cc1Cl 9576918 GXUFDAFDOCHPOT-LBPRGKRZSA-N 448.306 3.583 0 40 IHAB CCOc1ccc(NC(=O)CSC2=NS(=O)(=O)c3cc(Cl)ccc3N2)cc1 9761985 ZFSIKOCHVXULLF-UHFFFAOYSA-N 425.919 3.581 0 40 IHAB COc1ccc(CCN2C[C@H](C(=O)N3CCC[C@H]3c3cccs3)CC2=O)cc1OC 9765899 IRPOLNSIBHZEBO-MSOLQXFVSA-N 428.554 3.520 0 40 IHAB COc1ccc(N(CC(=O)NC2CCCCCC2)S(=O)(=O)c2ccc(F)cc2)cc1 9847017 XCHJFJAWIDKECW-UHFFFAOYSA-N 434.533 3.869 0 40 IHAB O=C(CCS(=O)(=O)Cc1ccccc1)Nc1ccccc1C(=O)NCc1ccccc1 10076246 QSUSVMSDHLJJMG-UHFFFAOYSA-N 436.533 3.560 0 40 IHAB CCc1ccc(N(CC(=O)N2CCCCC2)S(=O)(=O)c2cc(C)ccc2OC)cc1 10300674 VZQQAKDQKKOFRN-UHFFFAOYSA-N 430.570 3.774 0 40 IHAB O=C(NC[C@@H](c1cccc2ccccc12)N1CCCC1)C(=O)Nc1ccc2c(c1)OCCO2 10333973 DXADYWSKXNZYRH-QFIPXVFZSA-N 445.519 3.503 0 40 IHAB Cn1c(=O)c2ccccc2n2c(SCC(=O)Nc3ccccc3SC(F)F)nnc12 10422871 QYUMMCCOMHBGPD-UHFFFAOYSA-N 447.492 3.627 0 40 IHAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)C(C)(C)Oc1ccc(Cl)cc1 10971029 WPQLLDIEJAHDEL-OAHLLOKOSA-N 443.931 3.720 0 40 IHAB COc1ccc(-c2cc3nc([C@@H](C)NC(=O)[C@H](C)Oc4ccc(F)cc4)nn3cn2)cc1 12085114 YMXWZKNRVBXXCC-CABCVRRESA-N 435.459 3.584 0 40 IHAB CC(C)(C)n1ncc2c(=O)n(CCC(=O)NC(c3ccccc3)c3ccccc3)cnc21 12440122 WUPQBCDDNDBGEO-UHFFFAOYSA-N 429.524 3.644 0 40 IHAB Cc1ccc2[nH]c(=O)c(CN(Cc3nnnn3Cc3ccc(F)cc3)C3CCCC3)cc2c1 13065570 CGBUFMVFPJUYDL-UHFFFAOYSA-N 446.530 3.955 0 40 IHAB O=C(NC12CC3CC(CC(C3)C1)C2)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 13465043 SIJZRVYMYIEIBQ-UHFFFAOYSA-N 437.005 3.826 0 40 IHAB CCC(C)(C)n1nnnc1[C@@H](c1ccc(F)cc1)N1CCN(c2ccccc2OC)CC1 13504108 OMJOOHBJSPJUBZ-JOCHJYFZSA-N 438.551 3.878 0 40 IHAB COc1ccc([C@H]2CC(=O)Nc3nc(SCc4cccc(F)c4)[nH]c(=O)c32)c(OC)c1 13567368 SWBOZOFSGOJNOI-MRXNPFEDSA-N 441.484 3.693 0 40 IHAB CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cccc(C)c3)cc2Cl)CC1 14271643 BNGQRIKYYIIWFP-UHFFFAOYSA-N 444.988 3.834 0 40 IHAB COc1ccc(N(CC(=O)N2CCC(c3ccccc3)=N2)S(=O)(=O)c2ccccc2)cc1 14302619 ADKHPJPGWPDIIK-UHFFFAOYSA-N 449.532 3.527 0 40 IHAB CC(=O)N1CCc2cc(NC(=O)COC(=O)c3ccc(COc4ccccc4)o3)ccc21 15514309 JPSMGOOGHSUYDU-UHFFFAOYSA-N 434.448 3.563 0 40 IHAB COc1cc(CN[C@@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OCC(=O)N1CCOCC1 16576163 MGHXSEQTMYHVQE-FJDLLSKQSA-N 442.600 3.627 0 40 IHAB O=C(Nc1nc2c(F)cccc2s1)[C@H]1CCCCN1S(=O)(=O)c1cccs1 17149801 ULCKSTWSJMOICQ-GFCCVEGCSA-N 425.532 3.679 0 40 IHAB C[C@@H](Sc1nnc(N2CCOCC2)n1-c1ccccc1)C(=O)N1CCCc2ccccc21 17278164 QPXMYWLJYUINLN-GOSISDBHSA-N 449.580 3.564 0 40 IHAB CCCc1cc(C(=O)OC)c(N2C(=O)C[C@H](Sc3ccccc3C(=O)O)C2=O)s1 17877405 HDOOPWYBCNJGON-HNNXBMFYSA-N 433.507 3.610 0 40 IHAB CC(C)(C)CC(=O)N1CCO[C@](Cc2cccc(-c3cccnc3)c2)(C(=O)NC2CC2)C1 19082688 PRPQXIPJHDIWKK-SANMLTNESA-N 435.568 3.604 0 40 IHAB CCCN1CCN(C(=O)c2nccn2C)C[C@H](Cc2ccc(-c3cccc(C)c3)cc2)C1=O 19502665 JCYDPYFCCOFMRB-DEOSSOPVSA-N 444.579 3.949 0 40 IHAB Cc1nc([C@]2(O)CCCN(Cc3ccnn3C)CC2)sc1COc1ccc(F)c(F)c1 19705353 QAXMEXYWLLKFRW-QFIPXVFZSA-N 448.539 3.916 0 40 IHAB COc1ccc(C(=O)N2CCCC[C@@H]2c2ncc(C(=O)Nc3ccc(F)cc3)c(C)n2)cn1 19765066 BEQBYYJXRIPPMK-HXUWFJFHSA-N 449.486 3.947 0 40 IHAB CCCCCN(C(=O)C12CC3CC(CC(C3)C1)C2)c1c(N)n(CCCC)c(=O)[nH]c1=O 21336026 WODQGXFQKHSXRB-UHFFFAOYSA-N 430.593 3.659 0 40 IHAB CN(C)S(=O)(=O)c1ccc(OCCN(Cc2c(F)cccc2Cl)C2CC2)cc1 22011552 UCPLPHZCOGMZKK-UHFFFAOYSA-N 426.941 3.773 0 40 IHAB CCOc1ccc(CCNC(=O)COC(=O)CSc2ccc(C)cc2)cc1OCC 22208844 CEILOMGGKNPMMM-UHFFFAOYSA-N 431.554 3.787 0 40 IHAB Cc1ccc([C@H](C)NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1C 22339649 LDDRSGXIULQUGH-HNNXBMFYSA-N 439.375 3.709 0 40 IHAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccccc1F)N(CCCN1CCOCC1)C3=O 22610856 PLRCKJGXWLDDCF-JOCHJYFZSA-N 436.483 3.508 0 40 IHAB Cc1cc(C)c2c(-n3cccc3)c(C(=O)N3CCN(CCN4CCCC4)CC3)sc2n1 22924710 USIMJPMFGSQVCO-UHFFFAOYSA-N 437.613 3.557 0 40 IHAB C[C@H](CCc1ccccc1)NC(=O)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 24609759 KICHJXHKAGVZJX-GOSISDBHSA-N 432.561 3.505 0 40 IHAB CS(=O)(=O)N1CCCN(C(=O)c2ccccc2Nc2cccc(C(F)(F)F)c2)CC1 24777689 TWNSNPCQULZGEH-UHFFFAOYSA-N 441.475 3.557 0 40 IHAB C[C@H]1C[C@@H]1c1ccc(CN(C)C(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)o1 32837328 IUYNGZXEXHHIOJ-KKSFZXQISA-N 426.538 3.835 0 40 IHAB Cc1ccccc1C(=O)N1CCC(C(=O)NC[C@@H](c2ccccc2Cl)N(C)C)CC1 32988571 DYQTYYRRVAQHKM-QFIPXVFZSA-N 427.976 3.920 0 40 IHAB O=C(CN1C(=O)S/C(=C/c2cc3ccccc3oc2=O)C1=O)Nc1ccc(F)cc1F 35362257 QHJXMAJAEIHBAD-CAOOACKPSA-N 442.399 3.746 0 40 IHAB O=C(c1ccco1)N1CCN(C2(c3nnnn3-c3ccc(Cl)cc3)CCCCC2)CC1 35622778 TTWSXCRWTNQBOP-UHFFFAOYSA-N 440.935 3.526 0 40 IHAB O=C(COc1ccc2c(=O)c(-c3ccccc3)coc2c1)N[C@@H](CO)Cc1ccccc1 36569636 OFJADOVMCOQXBB-HXUWFJFHSA-N 429.472 3.559 0 40 IHAB biogenic Cc1cccc(NC(=O)Nc2nnc(SCc3cc(=O)n4oc(C)cc4n3)s2)c1 41089669 TVJSRWANKYXKLL-UHFFFAOYSA-N 428.499 3.692 0 40 IHAB C[C@@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1)c1ccc(F)cc1 44900289 VDKQIQKEYHBDRU-OAHLLOKOSA-N 438.952 3.898 0 40 IHAB CN(c1ccc2sc(C(=O)NC[C@@H]3CCCO3)cc2c1)S(=O)(=O)c1ccccc1 46058488 ODRGOFSNMMOUFQ-KRWDZBQOSA-N 430.551 3.635 0 40 IHAB Cc1noc2nc(-c3ccccc3F)cc(C(=O)N[C@H](C(=O)N(C)C)c3ccccc3)c12 48290845 PDASKINWRNMEKO-NRFANRHFSA-N 432.455 3.897 0 40 IHAB C[C@@H]1CN(Cc2csc(NC(=O)c3cnn(-c4ccc(Cl)cc4)c3)n2)C[C@@H](C)O1 58110139 RHTRGWYKIFFUPL-ZIAGYGMSSA-N 431.949 3.844 0 40 IHAB O=C(Nc1nnc(C2CCCCC2)s1)[C@H](Cc1ccccc1)NC(=O)N1CCCC1 61717555 QWVBSYYTCULGRY-SFHVURJKSA-N 427.574 3.941 0 40 IHAB C[C@@H]1C[C@@H](C(N)=O)c2ccccc2N1Cc1nnc(-c2ccccc2Br)o1 65489718 HWXPQEYNQLTXFB-IUODEOHRSA-N 427.302 3.867 0 40 IHAB CN1c2cc(Cl)ccc2-c2nc(SCc3ccc4c(c3)OCO4)ncc2S1(=O)=O 67260205 DRSYLUDRENHMMS-UHFFFAOYSA-N 447.925 3.957 0 40 IHAB CC[C@@H](NC(=O)c1cccc(Cn2nc(C)cc2C)c1)[C@H]1CN(Cc2ccccc2)CCO1 79108532 BYLONEAUOHPNPD-CLJLJLNGSA-N 446.595 3.958 0 40 IHAB Cn1cc([C@@H](O)C[C@@H]2CCCN2C(=O)c2nc(-c3ccccc3)n3c2CCCCC3)cn1 95452751 DDJUJXYCHHYRPQ-UNMCSNQZSA-N 433.556 3.738 0 40 IHAB COCCN(CCOC)C(=O)c1ccn(-c2ccc3ccc(-c4ccc(F)cc4)cn23)n1 96038162 SYRCEHLFQNESIJ-UHFFFAOYSA-N 436.487 3.666 0 40 IHAB Cc1cccc(CN2CCCC[C@@H]2c2cc3nc4c(c(O)n3n2)CN(C(=O)C2CC2)CC4)c1 100243232 GYIWTLXDWWVVKG-HSZRJFAPSA-N 445.567 3.765 0 40 IHAB CC(C)Cn1c(S)nc2cc(C(=O)NCCCc3nc4ccccc4[nH]3)ccc2c1=O 101843919 YTYXCMBNHKQLRE-UHFFFAOYSA-N 435.553 3.580 0 40 IHAB C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1)[C@H]1C[C@H]2CC[C@H]1C2 102260298 PHDMAZLTMAJHEY-CVOKININSA-N 438.593 3.988 0 40 IHAB CC(C)=C1[C@@H]2CC[C@@H]1[C@@H](C(=O)Nc1sccc1C(=O)NCc1ccco1)[C@H]2C(=O)O 102366657 IEZTXZCSFNOOQM-ZZCKCESHSA-N 428.510 3.903 0 40 IHAB CC(=O)O[C@@H]1C[C@@]2(O)[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@H]1c1ccc(=O)oc1 141528820 VOZHMAYHYHEWBW-VSJIIXIFSA-N 444.568 3.784 0 40 IHAB CC[C@@H](C(=O)NCCCc1ccc(OC)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 219092398 ZDUQFGHFSURTDG-FQEVSTJZSA-N 438.977 3.642 0 40 IHAB CC[C@H](C(=O)NCCCc1ccccc1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O 222509906 KWHAOLDJICBEAB-LJQANCHMSA-N 426.941 3.773 0 40 IHAB Cc1c(Cl)cccc1N(CCCC(=O)Nc1ccc2c(c1)OCCO2)S(C)(=O)=O 222665934 VTGYLHJTGSLPNV-UHFFFAOYSA-N 438.933 3.605 0 40 IHAB Cc1cccc(CSCCCNC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)c1 224382230 BWLQIQBPDSEMMO-UHFFFAOYSA-N 432.611 3.978 0 40 IHAB C[C@H]1CN(C(=S)S[C@H]2CC(=O)N(c3ccc(Cl)cc3Cl)C2=O)C[C@@H](C)O1 227003282 SJYOMKDOCATNDX-RBZYPMLTSA-N 433.382 3.753 0 40 IHAB COc1cccc(-c2ccc(C(=O)N[C@@H](CN3C(=O)COC3=O)c3ccccc3)cc2)c1 238836231 GTRPNLUBCCULND-QFIPXVFZSA-N 430.460 3.812 0 40 IHAB CCn1cc(S(=O)(=O)N2[C@H]3CC[C@@H](C3)[C@@H]2COc2cccc(C(F)(F)F)c2)cn1 249696196 SHEPTWAQGDNRTO-YEWWUXTCSA-N 429.464 3.542 0 40 IHAB Cc1nn(C)cc1S(=O)(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1 257296669 RDVGIBMKZWZOGR-MRXNPFEDSA-N 434.949 3.529 0 40 IHAB O=C(c1ccccc1Cn1cccn1)N1CCC[C@@H]1c1nc(Cc2ccc(F)cc2)n[nH]1 257337278 YSCYGFMVFZWJPG-OAQYLSRUSA-N 430.487 3.757 0 40 IHAB C[C@@H]1CCCN(c2cc(N3CCCCCC3)nc(NC(=S)NC[C@H]3CCCO3)n2)C1 260712852 KNFDWWOKITVKBF-QZTJIDSGSA-N 432.638 3.559 0 40 IHAB CC(C)n1cnc([C@@H]2CN(Cc3cccs3)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 306123138 AFNOWIHCNVJUDF-URXFXBBRSA-N 435.597 3.939 0 40 IHAB Cc1ccc(SCCNC(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1 408548460 SAOFXHZJTORKFM-UHFFFAOYSA-N 447.409 3.976 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3OCC)C2)cc1 408557758 HROBIDXKTRGGIK-QGZVFWFLSA-N 432.542 3.523 0 40 IHAB CCCCCNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1cc(C)ccc1OC 408618258 DVBOEUYTIKNDEB-UHFFFAOYSA-N 432.586 3.543 0 40 IHAB Cc1cccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)c1C 408665355 RLFWUEZYHSPVMK-WOJBJXKFSA-N 432.476 3.555 0 40 IHAB C[C@@H](NC(=O)COc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1)c1ccccc1 409323730 POYWBILRZORXQG-LJQANCHMSA-N 438.549 3.764 0 40 IHAB COCc1ccc(-c2noc(Cc3ccc(S(=O)(=O)N4CCCCC4)cc3)n2)cc1 545632152 NFXPRAPZMVROPD-UHFFFAOYSA-N 427.526 3.648 0 40 IHAB O=C(Nc1cccc(C[S@](=O)Cc2ccccc2)c1)[C@]1(O)CCN(Cc2ccccc2)C1 610414827 VYSJAHWMXRZUTF-XYFQYJLHSA-N 448.588 3.711 0 40 IHAB C[C@H]1CN(C(=O)CN2CCC(c3ccc4cc(-c5ccncc5)cnc4n3)CC2)C[C@H](C)O1 1888926447 HGBXQRIMRSZMMY-OALUTQOASA-N 445.567 3.507 0 40 IHAB Cc1cc(C)c(S(=O)(=O)N(CC(=O)NCc2ccncc2)C2CCCCC2)c(C)c1 807617 XJLGSSZNCYTHNK-UHFFFAOYSA-N 429.586 3.647 0 40 IHAB COc1ccccc1NC(=S)N(CCN(C)C)Cc1cc2cc(C)cc(C)c2[nH]c1=O 880638 XKXCADSTAFUMBT-UHFFFAOYSA-N 438.597 3.914 0 40 IHAB C[C@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)o1 2398176 SHOXEDHKNJWZKC-VIFPVBQESA-N 436.317 3.936 0 40 IHAB COC(=O)c1sc2ncn3nc(-c4ccc(Cn5cc(Cl)cn5)o4)nc3c2c1C 2791379 ZJXGMUYILICUOK-UHFFFAOYSA-N 428.861 3.592 0 40 IHAB CS(=O)(=O)c1ccc2c(c1)SC1=N[C@@](c3ccccc3)(C(F)(F)F)N=C(O)N12 3189544 YGSGLUXHZHYNRX-INIZCTEOSA-N 427.429 3.701 0 40 IHAB CCOC(=O)c1ccc(-c2csc(NC(=O)CSc3nnc4ccccn34)n2)cc1 3215603 OXJWOAIKXWDRDO-UHFFFAOYSA-N 439.522 3.760 0 40 IHAB Cc1cc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)n(-c2ccc(F)cc2)n1 3242227 BMAFKCOEIZGSCI-UHFFFAOYSA-N 442.516 3.747 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)c2cccc(Cl)c2)ccc1F 3530377 ZMDKGGXAMNAGRY-UHFFFAOYSA-N 427.881 3.549 0 40 IHAB Cc1cccc2cc([C@@H](c3nnnn3Cc3ccccc3)N3CCC[C@H](C)C3)c(=O)[nH]c12 6443867 KMMHPQZWBZFJDY-SBUREZEXSA-N 428.540 3.693 0 40 IHAB COc1cc(NC(=O)c2sc3nc4n(c(=O)c3c2C)CCCCC4)cc(OC)c1OC 8588237 QGQDKJMFWMVPLS-UHFFFAOYSA-N 443.525 3.771 0 40 IHAB COc1ccccc1[C@H]1NC(=S)NC(C)=C1C(=O)Nc1ccc(Br)cc1 8843871 JYAXWYFKXXMDHI-QGZVFWFLSA-N 432.343 3.889 0 40 IHAB O=C(Oc1ccc(Br)cc1)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1 8874707 ODSWUCHDWZJBHK-SLDRDFCHSA-N 438.277 3.980 0 40 IHAB COC[C@@H](C)n1c(-c2ccco2)cs/c1=N\c1cc(S(=O)(=O)N(C)C)ccc1C 9403147 CGCOPCQJKPKWHT-MSVBSMQLSA-N 435.571 3.808 0 40 IHAB CCOc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(C)c(Cl)c2)C1 9525849 POMYVMDRBYNTKG-OAHLLOKOSA-N 430.888 3.582 0 40 IHAB CCCC(CCC)C(=O)N1CCN(c2ncnc3c2nnn3-c2ccc(Cl)cc2)CC1 9849461 BXEZVMIOMYJMFM-UHFFFAOYSA-N 441.967 3.729 0 40 IHAB COc1c(Br)cc(Cl)cc1NCc1nnc2n(C)c(=O)c3ccccc3n12 10944936 ABJDHSNOQCONNZ-UHFFFAOYSA-N 448.708 3.618 0 40 IHAB C[C@H](OC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)C(=O)N1c2ccccc2C[C@@H]1C 11283942 MBKNQYWXITYGLH-IRXDYDNUSA-N 438.499 3.587 0 40 IHAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NC[C@H](c1cccc(F)c1)N(C)C 11603839 ISIJHDCMJBJFQX-HSZRJFAPSA-N 433.531 3.990 0 40 IHAB CN(C)c1nc2c(c(N3CCC(c4ccncc4)CC3)n1)CCN(Cc1ccccc1)C2 12222365 FPOQGZBVMZIFHD-UHFFFAOYSA-N 428.584 3.880 0 40 IHAB C[C@@H]1CN(c2ncc3c(n2)CC(C)(C)C[C@H]3NC(=O)CCc2ccccc2F)C[C@@H](C)O1 12240715 ILFUZYLDOBZFAA-CBGDNZLLSA-N 440.563 3.992 0 40 IHAB CCOc1ccc(NC(=O)c2ccccc2NCc2cc(=O)n3nc(CC)sc3n2)cc1 12523073 SOAZBODJDJZJMD-UHFFFAOYSA-N 449.536 3.977 0 40 IHAB COc1ccc(NS(=O)(=O)c2cccc(NC(=O)c3[nH]c(C)c(C(C)=O)c3C)c2)cc1 12526034 SLHPCIAXIUISSZ-UHFFFAOYSA-N 441.509 3.896 0 40 IHAB CCOc1cc2c(cc1CNC(=O)CSc1nc(-c3cccs3)n[nH]1)O[C@H](C)C2 12617272 BNXQGTXGENLJSA-GFCCVEGCSA-N 430.555 3.664 0 40 IHAB Cc1cc(F)ccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 12630271 XTYGDQTXXOCNHM-UHFFFAOYSA-N 428.441 3.916 0 40 IHAB COC(=O)C[C@@H](NS(=O)(=O)c1ccccc1Cl)c1ccc(Br)cc1 12735931 NYCOLFWMQLPRMC-CQSZACIVSA-N 432.723 3.685 0 40 IHAB O=C(/C=C/c1cccc(Cl)c1Cl)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 12995314 YRCJBHJLGKEOSE-MDZDMXLPSA-N 439.364 3.681 0 40 IHAB CCc1cc2c(COC(=O)[C@@H](C)NC(=O)c3ccccc3Cl)cc(=O)oc2cc1O 13100597 TZCUQPJACDGAAJ-GFCCVEGCSA-N 429.856 3.576 0 40 IHAB O=C(CN1C(=O)S/C(=C\c2c[nH]c3ccc(Br)cc23)C1=O)N1CCCC1 13120290 GUBVZTSCOCHZJU-CHHVJCJISA-N 434.315 3.589 0 40 IHAB aggregator COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(C(C)C)cc2)C1 13580633 LCWNTTSEMBJRJV-QGZVFWFLSA-N 434.533 3.997 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCCCN2CCC(C)CC2)cc1 13671125 VYVGEJYYZUXQEG-UHFFFAOYSA-N 429.586 3.648 0 40 IHAB C[C@H](NCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1cccc2ccccc12 14141744 GXRQFDHUHNTKTD-SFHVURJKSA-N 437.565 3.914 0 40 IHAB O=C(NC1CCCCC1)[C@H](c1cccnc1)N(C(=O)c1csnn1)c1ccc(F)cc1 15935679 WGQJGRDKXJZJLJ-FQEVSTJZSA-N 439.516 3.909 0 40 IHAB Cc1ccc(NC(=O)CNC(=O)[C@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)c(C)c1 16021739 VBBBQBRARLYXNR-OAQYLSRUSA-N 437.540 3.720 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)c1 16100964 OBBXYIPFFXPXEP-UHFFFAOYSA-N 444.578 3.925 0 40 IHAB Cc1cc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)nc(C(C)C)n1 16454141 WMONFOXBJJQIAA-INIZCTEOSA-N 448.614 3.812 0 40 IHAB Cc1cc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)nc(C(C)C)n1 16454142 WMONFOXBJJQIAA-MRXNPFEDSA-N 448.614 3.812 0 40 IHAB CCOC(=O)[C@@H](NC(=O)Cc1ccccc1)[C@H](OC(=O)Cc1ccccc1)c1ccccc1 16682157 QIKMZCUNAXHQOA-IZZNHLLZSA-N 445.515 3.804 0 40 IHAB biogenic CC(=O)N(C)[C@H](c1ccc2c(c1)OCO2)c1nnnn1C(c1ccccc1)c1ccccc1 16949782 ZARHDZFHGZCMNX-XMMPIXPASA-N 441.491 3.607 0 40 IHAB CNc1nn(CC(=O)Nc2ccc(Cl)cc2)c(N)c1-c1nc(-c2ccc(C)cc2)no1 17051907 OUMWKQMLCFHJHL-UHFFFAOYSA-N 437.891 3.825 0 40 IHAB O=C(c1cc(-c2ccc(Cl)c(Cl)c2)[nH]n1)N1N=C(C(F)F)C[C@@]1(O)C(F)F 17094260 IFPKECRNDGDKQB-OAHLLOKOSA-N 425.169 3.804 0 40 IHAB COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)c(OC)c1 17779424 JHOANXJVAKMHAI-VABKMULXSA-N 430.460 3.755 0 40 IHAB CN(CC(=O)NCCSCc1ccccc1)S(=O)(=O)c1ccc2ccccc2c1 18150136 XOMRYKRFOSDIPP-UHFFFAOYSA-N 428.579 3.510 0 40 IHAB C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1ccc2c(c1)CCCC2 18212577 CPTKVCJKTBVFBW-MRXNPFEDSA-N 432.611 3.905 0 40 IHAB C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2)C1=O)c1cc2ccccc2o1 18410919 HXGCFWPGADJFRW-MCMMXHMISA-N 425.872 3.731 0 40 IHAB COc1ccc(CC(=O)NCc2cnc(C)nc2-c2cn(C)c3ccccc23)cc1OC 19287160 ROSQEWVIQXOIGO-UHFFFAOYSA-N 430.508 3.820 0 40 IHAB Cn1nc(-c2cccnc2)cc1CN1CCN(C(=O)c2cc3cc(Cl)ccc3n2C)CC1 19289763 MLHAXADZZWPBAD-UHFFFAOYSA-N 448.958 3.585 0 40 IHAB COc1ccc(Cl)cc1C(=O)N1CCC(c2nc(-c3nccs3)cc(=O)[nH]2)CC1 19558991 QFCLMMPVQSKZNO-UHFFFAOYSA-N 430.917 3.575 0 40 IHAB COc1ccc(CN2CCC[C@H](c3n[nH]cc3-c3ccnc(N4CCCC4)n3)C2)cc1OC 19560971 LNGMDRYALJOGAE-IBGZPJMESA-N 448.571 3.864 0 40 IHAB COc1ccc(-c2noc([C@H]3CN(C(=O)c4c(C)n(C)c5ccccc45)CCO3)n2)cc1 19581746 AFVAHKVIOOPHGA-HXUWFJFHSA-N 432.480 3.759 0 40 IHAB O=C(COc1ccc(CNc2cccc([C@@H]3CCc4nncn4C3)c2)cc1)N1CCCC1 19699116 SAGIVXBOQVLBRC-OAQYLSRUSA-N 431.540 3.621 0 40 IHAB CC(C)NC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(C(=O)[C@@H]2CCCCO2)CC1 19700186 WGDAGVIOMKIKNL-DEOSSOPVSA-N 449.595 3.994 0 40 IHAB Cc1ccc(CN2C(=O)CCc3c(C)nc([C@@H]4CCCN4C(=O)c4c[nH]nc4C)nc32)cc1 19740587 ABUMVZAVBFMJEF-NRFANRHFSA-N 444.539 3.582 0 40 IHAB Cc1nc([C@H]2CCCCN2C(=O)c2ccc3c(c2)CCCC3)ncc1C(=O)N1CCOCC1 19765629 PRKRCKOKGWUILM-HSZRJFAPSA-N 448.567 3.504 0 40 IHAB CCOC(=O)CSc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3 19994650 QPSKDLAZEXWVLG-UHFFFAOYSA-N 444.582 3.610 0 40 IHAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccc(F)cc3)cc2)cc1 20042472 RHYVPCPSALEOAD-UHFFFAOYSA-N 428.485 3.589 0 40 IHAB COc1ccc(OC)c(CN2CCN(CC(=O)Nc3ccc(Cl)cc3Cl)CC2)c1 22913010 ZYVKNTDBBOJFBW-UHFFFAOYSA-N 438.355 3.767 0 40 IHAB C[C@H](C(=O)N[C@H]1CCCc2ccccc21)N1CCN(Cc2nc3ccccc3s2)CC1 22932472 GTMZZRPPEPMQGW-NQIIRXRSSA-N 434.609 3.996 0 40 IHAB CC(=O)Nc1cccc(-n2c(S[C@@H](C(N)=O)c3ccc(F)cc3)nnc2C2CC2)c1 23139795 PFBSPOBKDDYNDN-GOSISDBHSA-N 425.489 3.561 0 40 IHAB C[C@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 27975485 OUIQHOGLKAIIED-AWEZNQCLSA-N 443.550 3.839 0 40 IHAB COc1ccccc1[C@H](C)N(C)C(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 32796596 QDBLMJGHKDNJMN-SFHVURJKSA-N 430.570 3.949 0 40 IHAB C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1)C(=O)Nc1ncccn1 32879769 HQZYKNYZQCUCKV-HUUCEWRRSA-N 449.540 3.515 0 40 IHAB COc1ccc(-c2nnc(SCCCCN3C(=O)c4ccccc4C3=O)o2)cc1OC 32939946 HFMTUDZGAKWMET-UHFFFAOYSA-N 439.493 3.922 0 40 IHAB Cc1cc(NC(=O)CCc2nc(CSc3nc(-c4ccccc4Cl)n[nH]3)no2)no1 33270904 RNBWBESTVQESBW-UHFFFAOYSA-N 445.892 3.668 0 40 IHAB CCOC(=O)[C@H]1CCCN([C@@H](c2ccccc2F)c2sc3nc(CC)nn3c2O)C1 36370441 NLKZKYUGBOKYPW-GUYCJALGSA-N 432.521 3.562 0 40 IHAB O=C(CC[C@H]1N=C(O)N(CCc2c[nH]c3ccccc23)C1=O)NCc1ccccc1Cl 36589739 IOIUPUJVFLYIED-HXUWFJFHSA-N 438.915 3.585 0 40 IHAB biogenic COc1ccc(NC(=O)CSc2nnc3c4cc(-c5ccc(F)cc5)nn4ccn23)cc1 38486854 JEMWJMRNFZCVRW-UHFFFAOYSA-N 448.483 3.923 0 40 IHAB COc1cc(/C=C/C(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2)cc(OC)c1OC 39588673 RFNSETMBARZFQD-RUDMXATFSA-N 439.386 3.926 0 40 IHAB CN(C)C(=O)c1cc(NC(=O)c2ccc(I)cc2)ccc1Cl 40090734 SBJMWQFKWUTHMJ-UHFFFAOYSA-N 428.657 3.899 0 40 IHAB Cc1ccccc1C(=O)Nn1ccc2c(nnc3c(-c4ccc(Cl)cc4)c(C)nn32)c1=O 40396038 NVRGTFRATBKOAQ-UHFFFAOYSA-N 444.882 3.760 0 40 IHAB O=C(NCCN1CCN(C(=O)NC(c2ccccc2)c2ccccc2)CC1)c1cccs1 44226883 OCVXVNPLUNIVMH-UHFFFAOYSA-N 448.592 3.595 0 40 IHAB O=C([C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1)N1CCCc2ccccc21 44884076 XEFVXDRFNMCWFT-QFIPXVFZSA-N 426.582 3.640 0 40 IHAB COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)c1 48345669 ZSLJSPBNVDKMRO-SNVBAGLBSA-N 446.308 3.606 0 40 IHAB O=C(Cn1c(=O)n(CCc2cccs2)c(=O)c2sccc21)Nc1cccc(Cl)c1 57493883 OOYANVXGZUZQCQ-UHFFFAOYSA-N 445.953 3.821 0 40 IHAB CCOC(=O)CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(OCC(F)(F)F)nc1 58015963 ZPWQQTULRHIRTC-UHFFFAOYSA-N 430.810 3.882 0 40 IHAB O=C(CCCn1c(=O)oc2ccccc21)Nc1ccc2c(c1)CCN2C(=O)c1ccoc1 58172175 RPTJEAGDCIGKGF-UHFFFAOYSA-N 431.448 3.809 0 40 IHAB CN(Cc1ccccc1OC(F)(F)F)C(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 58217472 XJHKLWRZALRNMR-UHFFFAOYSA-N 436.839 3.882 0 40 IHAB COC(=O)c1[nH]c2cccc(C)c2c1NC(=O)CN1CCN(c2cccc(C)c2C)CC1 61943405 JAFPTAFFZAONQY-UHFFFAOYSA-N 434.540 3.640 0 40 IHAB COC(=O)c1cc(OCC(=O)Nc2ccccc2Cl)c2cc(OC)c(OC)cc2n1 65033442 DXYPNGLZDDZYKA-UHFFFAOYSA-N 430.844 3.710 0 40 IHAB COc1ccc(-c2noc(CCC(=O)N3CCN(C/C=C/c4ccccc4)CC3)n2)cc1 71820177 WTVOJCMCYMBAEZ-VMPITWQZSA-N 432.524 3.535 0 40 IHAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 71844358 UHYJRFLURFRWGM-DHIUTWEWSA-N 442.581 3.506 0 40 IHAB CC(C)c1ccccc1OCC(=O)N1CCC[C@@H](c2cc(C(F)F)n3ncnc3n2)C1 72395376 QOCQPRZIANPMME-OAHLLOKOSA-N 429.471 3.970 0 40 IHAB COc1ccc(OC)c(S(=O)(=O)N[C@@H]2CCC[C@@H](OC(=O)Nc3ccccc3)C2)c1 77200269 ODQAOTQSADTZOX-SJLPKXTDSA-N 434.514 3.542 0 40 IHAB Cc1nc(COc2cccc(C(=O)N3CC[C@@H]4[C@H](CCC(=O)N4C4CC4)C3)c2)cs1 89712510 BJMAPECNEFCJMO-DYESRHJHSA-N 425.554 3.646 0 40 IHAB Cc1ccc(-c2noc(CN3N=N[C@H]4C(=O)N(c5ccc(C)c(Cl)c5)C(=O)[C@@H]43)n2)cc1 101261841 PWJQVMSCNJHKFP-QZTJIDSGSA-N 436.859 3.500 0 40 IHAB COc1ccc(OC)c([C@@H]2CCCN2[C@H](C)C(=O)Nc2sc3c(c2C(N)=O)CCC3)c1 102433125 CKFNCTQNTBZRJH-DYVFJYSZSA-N 443.569 3.517 0 40 IHAB Cc1ccc(CN2C[C@@H](C(=O)NCC3(c4cccc(Cl)c4)CCOCC3)CC2=O)cc1 108814835 KYBDWUFZDOCEII-FQEVSTJZSA-N 440.971 3.862 0 40 IHAB C[C@](O)(CNC(=O)c1ccccc1S(=O)(=O)C(F)F)c1ccc(-c2ccccc2)cc1 206702512 VLYWYMAXKIMJQE-QHCPKHFHSA-N 445.487 3.987 0 40 IHAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@@H](C)Oc1cccc2ccccc12 216350304 AYFJJXNLEAHOSA-MRXNPFEDSA-N 442.537 3.941 0 40 IHAB CC[C@H](C(=O)N[C@H]1CC(C)(C)Oc2ccc(OC)cc21)N(c1ccccc1)S(C)(=O)=O 219086997 KDAFFMNLAXPSJK-VQTJNVASSA-N 446.569 3.658 0 40 IHAB CC[C@@H](C(=O)Nc1cccc(Br)c1)N(c1cccc(C)c1)S(C)(=O)=O 220495173 AVQGJVUNADRRTD-KRWDZBQOSA-N 425.348 3.941 0 40 IHAB Cc1ccc(OCCNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c(C)c1 223715460 AMYDITZFLTVONP-UHFFFAOYSA-N 445.368 3.571 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(OC)c(OC)c3)cc2)cc1 223981230 GDICKAXAUVHFQV-UHFFFAOYSA-N 442.493 3.766 0 40 IHAB COc1cccc(CN(C(=O)COc2ccc(Cl)cc2)[C@@H](C)C(=O)NCC(C)C)c1 224422977 RBIFJHPVDPSWBZ-KRWDZBQOSA-N 432.948 3.917 0 40 IHAB CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccc(C)cc1C 225469371 MOGOWMMASFXNAO-MRXNPFEDSA-N 433.346 3.608 0 40 IHAB COc1cc(OC)cc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)C)c1 225568764 RKNJOXJZJYHSIY-MRXNPFEDSA-N 448.947 3.678 0 40 IHAB CCCCOC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CC)cc1 225637903 KILIQTWQFAMIIO-UHFFFAOYSA-N 430.526 3.743 0 40 IHAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccccn3)c(Cl)c2)cc1 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432.347 3.769 0 40 IHAB CS(=O)(=O)N(CC(=O)N[C@H]1CCCc2ccccc21)c1ccc(Cl)cc1Cl 22366316 IQZVOVJEPDKLPQ-KRWDZBQOSA-N 427.353 3.953 0 40 IHAB COc1ccc(C)cc1NC(=O)C(=O)NC[C@H](c1ccsc1)N1CCc2ccccc2C1 22766695 OZZBCPGPKPUGTO-JOCHJYFZSA-N 449.576 3.919 0 40 IHAB CCN(CC)[C@H](CNC(=O)[C@@H](NC(=O)C1CCCCC1)C(C)C)c1cccc(OC)c1 22969335 UUPJTJGJUZKZQU-PKTZIBPZSA-N 431.621 3.915 0 40 IHAB COc1ccc(-c2nc(CC(=O)N3CCC[C@H]3c3nnc4ccccn34)cs2)cc1OC 27160866 ISRGLRCCUSFZLP-KRWDZBQOSA-N 449.536 3.776 0 40 IHAB CC[C@@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1nc2ccccc2n1CCN1CCOCC1 28227998 OZUGTQXPVDZYMG-XMMPIXPASA-N 448.567 3.653 0 40 IHAB CCOc1ccc(OC(=O)c2ccc(CN3C(=O)c4ccccc4S3(=O)=O)cc2)cc1 32752777 YBRKOFYYQJSJIH-UHFFFAOYSA-N 437.473 3.649 0 40 IHAB Cc1cccc([C@H](CC(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2Cl)NC(N)=O)c1 32796551 KDKJWIOCOXCRQA-PMACEKPBSA-N 445.947 3.947 0 40 IHAB CCOc1ccc(N[C@@H](C)c2nnc(-c3cccc(C)c3)o2)cc1S(=O)(=O)N(C)C 32814595 USXGIBMIEULHST-HNNXBMFYSA-N 430.530 3.867 0 40 IHAB 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CC[C@H](C(=O)NCCCc1ccc(F)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 219106393 JUYJDTHWCYCTGG-LJQANCHMSA-N 426.941 3.773 0 40 IHAB CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CSCc1c(F)cccc1Cl 222781659 VBKTYAAYKKGOQC-CQSZACIVSA-N 438.952 3.884 0 40 IHAB C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1ccc2c(c1)CCC2 223258425 JATFVZIVWBJXLN-OXJNMPFZSA-N 430.545 3.593 0 40 IHAB COc1ccc(OC)c([C@@H](C)NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)c1 223620804 FQKMRIUENDZKIT-MRXNPFEDSA-N 442.537 3.500 0 40 IHAB Cc1cc(C(=O)O)ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)o1 223633492 FOCQNDDDKGVFPL-LEWJYISDSA-N 437.521 3.703 0 40 IHAB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(Br)cs1 223711482 UATOJRXRAYIORC-HZPDHXFCSA-N 440.388 3.831 0 40 IHAB COc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccc4c(c3)OCO4)ccc2C)cc1 224059419 UEONKQQLFRFIFW-UHFFFAOYSA-N 440.477 3.785 0 40 IHAB CCOc1ccc(-c2noc(CN(C)S(=O)(=O)c3cc(Cl)ccc3OC)n2)cc1 225375138 ARCBVMIEQJRITE-UHFFFAOYSA-N 437.905 3.618 0 40 IHAB 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CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(Cc2ccccc2C(F)(F)F)CC1 1888929343 MFBBEHOJVNLDOH-UHFFFAOYSA-N 437.487 3.751 0 40 IHAB COc1ccc(OC)c([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(Br)cc2)c1 823181 WDIAXPDCLROMOV-GOSISDBHSA-N 446.301 3.733 0 40 IHAB CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccccc1C(=O)OC 903468 WJIDAAOVFONDFS-UHFFFAOYSA-N 440.525 3.703 0 40 IHAB COc1ccc2[nH]c(=O)c(CN(Cc3ccco3)Cc3nnnn3C3CCCCC3)cc2c1 927768 PFSBVJKBDGCNLU-UHFFFAOYSA-N 448.527 3.824 0 40 IHAB NC(=O)c1c(NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)sc2c1CCCC2 951148 PZPAKGWKUZVGQK-UHFFFAOYSA-N 445.500 3.779 0 40 IHAB COc1ccc(Br)cc1S(=O)(=O)N1CCN(c2c(C)cccc2C)CC1 2693044 CAFLQBRCCUPFTD-UHFFFAOYSA-N 439.375 3.585 0 40 IHAB CN(CC(=O)NCCC(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(F)cc1 3334407 CTDKIRUVECTOQL-UHFFFAOYSA-N 440.540 3.785 0 40 IHAB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(-c3ccccc3)cc2)cc1 3524134 KCKMWYGPILXQMK-UHFFFAOYSA-N 437.521 3.571 0 40 IHAB C[C@H]1CCC[C@H](C)N1C(=O)[C@@H](C)OC(=O)CSCC(=O)Nc1ccc(Cl)cc1 4951316 YXRHBPUTSUELOS-SOUVJXGZSA-N 426.966 3.733 0 40 IHAB Cc1cccc(/C=C/c2nc3ccc(I)cc3c(=O)n2CCCO)c1 8742490 MWJZHFDEFNTLEJ-RMKNXTFCSA-N 446.288 3.862 0 40 IHAB C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N(Cc2ccco2)C2=CCCCC2)C1=O 8746013 VXDIQXNMUPIPMN-HSZRJFAPSA-N 425.460 3.672 0 40 IHAB CCN1C(=O)C(C)(C)COc2ccc(NS(=O)(=O)c3ccc(NC(C)=O)cc3C)cc21 9170787 DYODWMVBKLQXKB-UHFFFAOYSA-N 445.541 3.526 0 40 IHAB COc1cccc(-c2nnc(SCC(=O)Nc3ccccc3Br)n2C)c1 9263934 QLDRZUICQPFERB-UHFFFAOYSA-N 433.331 3.984 0 40 IHAB COc1ccc(-n2nc3c(c2NC(=O)COc2ccc4ccccc4c2)C[S@](=O)C3)cc1 9413275 NTPVOCMYQLCOAH-JGCGQSQUSA-N 447.516 3.814 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(OC)ccc(OC)c3s2)cc1 9427559 RYHJUBZXHVETDE-UHFFFAOYSA-N 449.554 3.596 0 40 IHAB Cc1ccc2occ(CC(=O)Nc3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)c2c1 9430814 CHVCIIMVVWHTNX-IRXDYDNUSA-N 442.537 3.720 0 40 IHAB CCOC(=O)C1CCN(C(=O)COc2ccc3c(=O)c(-c4ccccc4)c(C)oc3c2)CC1 9439588 QRQMJDMZTTUONJ-UHFFFAOYSA-N 449.503 3.949 0 40 IHAB CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccc(Cn2nnc3ccccc32)cc1 9469320 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CC(C)Cn1c(S[C@H](C)C(=O)NC(C)C)nc2ccc(Br)cc2c1=O 12974735 YEUDEKUXUZRUHB-GFCCVEGCSA-N 426.380 3.820 0 40 IHAB O=C(Nc1ccnn1Cc1ccc(Br)cc1)c1cccnc1N1CCCC1 13064125 PZWMXJSFWHJNPG-UHFFFAOYSA-N 426.318 3.941 0 40 IHAB CC(=O)N[C@H](CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1cccs1 14368364 XNPPLUSZUPAKOZ-LJQANCHMSA-N 449.598 3.519 0 40 IHAB O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(Cl)cc1Cl 14495926 CHTHKNATPKBPJH-UHFFFAOYSA-N 443.352 3.586 0 40 IHAB O=C(CSc1ccccc1Br)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 16360621 KGNZTHBREUXHDI-OAHLLOKOSA-N 440.384 3.762 0 40 IHAB COC(=O)c1cc(-c2cccs2)nc2c1c(-c1ccco1)nn2[C@@H]1CCS(=O)(=O)C1 16850633 ROIZLKXDXGLDNO-GFCCVEGCSA-N 443.506 3.566 0 40 IHAB Cc1c(Cl)cccc1NC(=O)C(=O)NCCCCN1CCO[C@H](c2ccccc2)C1 16991313 ARHWQJMKBDQQEQ-NRFANRHFSA-N 429.948 3.557 0 40 IHAB CN(CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[C@@H]1CCCc2ccccc21 18935278 HNARBPHPTVNIDX-LJQANCHMSA-N 435.977 3.538 0 40 IHAB Cc1cc(-c2cnc(N3CCC[C@H](C)C3)nc2C2CCN(C(=O)[C@@H]3CCCO3)CC2)on1 19122789 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40 IHAB Cc1ccc(S(=O)(=O)N2CC[C@@H](c3cc(C(=O)N(C)C)c4ccccc4n3)C2)cc1F 19761349 WCWPJHHUDQSSCK-MRXNPFEDSA-N 441.528 3.562 0 40 IHAB Cn1c(SCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)nc2ccccc2c1=O 19850624 UFAJWLPNAILODX-UHFFFAOYSA-N 426.498 3.927 0 40 IHAB COc1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)ccc1OCCCN1CCOCC1 19933427 OGNZGQRMUOBXOL-UHFFFAOYSA-N 428.573 3.951 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)Nc2cc(F)ccc2C)CC1 20017418 LGRNTCTYYQAOJZ-UHFFFAOYSA-N 440.924 3.836 0 40 IHAB COc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1S(=O)(=O)NCCc1ccccc1 20025183 QELYDZFWTODYRC-UHFFFAOYSA-N 446.475 3.747 0 40 IHAB CCOCCCNc1nc2c(S(=O)(=O)c3cc(C)ccc3C)nnn2c2ccccc12 20355993 BWTHBAQQKHNCEF-UHFFFAOYSA-N 439.541 3.566 0 40 IHAB Cc1cccc(C(=O)Nc2ccc(C(=O)OCc3cc(=O)n4cc(C)sc4n3)cc2)c1 21633279 JCIPGLSVQOYOCP-UHFFFAOYSA-N 433.489 3.982 0 40 IHAB CCCOc1ccccc1CCCNC(=O)CN(c1ccc(CC)cc1)S(C)(=O)=O 22361709 ZGQZNJLJINUHHU-UHFFFAOYSA-N 432.586 3.553 0 40 IHAB COC(=O)C1CCN([C@H](c2ccc(C(C)C)cc2)c2sc3nc(C)nn3c2O)CC1 23157169 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Cc1ccc(-c2cc(C(=O)NC3CCCCCC3)nn2[C@H]2CCS(=O)(=O)C2)cc1C 33325784 HSYQQOGZVKQAKO-FQEVSTJZSA-N 429.586 3.979 0 40 IHAB Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccc(F)cc4)[nH]c(=O)c32)cc1Cl 40399750 MAJSNDDFJRQIJP-AWEZNQCLSA-N 441.850 3.679 0 40 IHAB O=C(NC1CCN(C(=O)c2cn(-c3cccc(Cl)c3)nn2)CC1)c1cccc(Cl)c1 49406159 UJSPXLCIYJRQJF-UHFFFAOYSA-N 444.322 3.609 0 40 IHAB O=C(NCc1ccco1)[C@H]1CCCN(c2nc3c(-c4ccccc4)csc3c(=O)[nH]2)C1 49421174 RXDSQNJJBXOECR-INIZCTEOSA-N 434.521 3.777 0 40 IHAB Cc1cccc(OCCNC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)c1 59475217 HBVPOFSNJNAXDT-UHFFFAOYSA-N 438.549 3.694 0 40 IHAB O[C@H]1CN(c2nc(CSc3ccc(Cl)cc3)nc3sc4c(c23)CCC4)C[C@H]1O 72310957 LJRDTPUXLKYGTI-GASCZTMLSA-N 433.986 3.668 0 40 IHAB CN(C)C(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)Cc2cccnc2)C1 72391067 AZSVZEQEXJQWNN-MHZLTWQESA-N 427.548 3.841 0 40 IHAB O=C(CCN1CCC(Cc2ccccc2)CC1)N1CCc2nc(-c3cncnc3)sc2C1 72392038 CNXHSCADQIWHDG-UHFFFAOYSA-N 447.608 3.830 0 40 IHAB COc1cc(CN2CCC[C@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)cc2c1OCO2 72398609 ZSDHGEOVOSZXSC-AVRDEDQJSA-N 439.556 3.935 0 40 IHAB COC(=O)[C@H](C)[C@@H](NC(=O)c1cc(Br)c2c(c1)OCCO2)c1ccccc1 78996206 DGQJDKXCEFALPA-SJKOYZFVSA-N 434.286 3.501 0 40 IHAB CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cncc(Br)c2Cl)c1 89969082 HLZVBCJEYKMOLC-UHFFFAOYSA-N 446.754 3.780 0 40 IHAB O=C([C@@H]1CCCN(Cc2ncc(Br)cc2Br)C1)N1CCCCC1 96013594 WDZPIYWUUASXED-CYBMUJFWSA-N 445.199 3.831 0 40 IHAB CN1CCN(C(=O)C[C@H]2CC3(CCN(C(=O)c4ccccc4F)CC3)c3ccccc32)CC1 96100207 PITAYQHOCWUAMX-FQEVSTJZSA-N 449.570 3.651 0 40 IHAB CC(C)[C@@H](NC(=O)C1(c2ccccc2)CC1)c1cc(O)n2nc(C3CCOCC3)cc2n1 100730030 LTZIWCHQDMJCRH-HSZRJFAPSA-N 434.540 3.874 0 40 IHAB COc1ccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H]([C@H]6C[C@H]56)[C@@H]4C3=O)c2)c(OC)c1 100877981 XBURRTUYWLXGOK-LXNNMKQJSA-N 444.487 3.514 0 40 IHAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)cc(OC)c3OC(C)C)C2=O)o1 107900491 DHJXNEHLKKACHP-NVNXTCNLSA-N 448.859 3.608 0 40 IHAB COc1ccc(CNC(=O)c2ccc(CN(c3ccccc3F)S(C)(=O)=O)cc2)cc1 113964465 ATQHTMBRNDJSDQ-UHFFFAOYSA-N 442.512 3.731 0 40 IHAB CC(=O)O[C@@H]1C[C@]2(C)[C@@H](C(C)=O)CC[C@H]2[C@@H]2CC[C@H]3CC4(CC(=O)[C@]3(C)[C@H]21)OCCO4 118917248 RUQBPCMPFRJFIH-GRVQOVICSA-N 432.557 3.698 0 40 IHAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)ccc1OC(C)=O 214665178 ZTWPITBGFNMNHG-XDHOZWIPSA-N 440.477 3.686 0 40 IHAB COc1cccc(-c2noc(CN(C)C(=O)C3CCN(Cc4ccc(C)cc4)CC3)n2)c1 219409118 GXHYTKRNXXWUEB-UHFFFAOYSA-N 434.540 3.924 0 40 IHAB CCOc1ccccc1CCCNC(=O)[C@H](C)N(c1ccc(CC)cc1)S(C)(=O)=O 220284595 UHXYCXRZOFBQKS-SFHVURJKSA-N 432.586 3.551 0 40 IHAB Cc1ccc(N([C@@H](C)C(=O)N[C@@H](C)COc2ccccc2C)S(C)(=O)=O)cc1Cl 220373064 ODVMYIMDGRJGLI-IRXDYDNUSA-N 438.977 3.695 0 40 IHAB C[C@H](C(=O)N1CCC(Cc2ccccc2)CC1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220448910 WFYYGWNVMGCNPR-MRXNPFEDSA-N 436.524 3.601 0 40 IHAB CCOc1ccccc1CCCNC(=O)[C@@H](CC)N(c1cc(C)ccc1C)S(C)(=O)=O 220549649 YRHISWOIOWSWMT-OAQYLSRUSA-N 446.613 3.996 0 40 IHAB CCOc1ccc(CCCNC(=O)[C@H](CC)N(c2ccccc2F)S(C)(=O)=O)cc1 220605299 WEINUOGRIXAKIT-FQEVSTJZSA-N 436.549 3.518 0 40 IHAB CCOc1cccc(NC(=O)[C@@H](CC)N(c2cc(Cl)ccc2OC)S(C)(=O)=O)c1 222496537 DRJBRCQMOVZNRC-QGZVFWFLSA-N 440.949 3.931 0 40 IHAB COc1ccc(N(C)C(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2C)cc1 222767749 CMRKHOFSQFDAKS-UHFFFAOYSA-N 446.569 3.656 0 40 IHAB CCn1c(=O)oc2cc(S(=O)(=O)N3c4ccc(Br)cc4C[C@@H]3C)ccc21 223031590 OSCGTEVAAZBXNF-NSHDSACASA-N 437.315 3.517 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCCOc1cccc(C)c1C 223929594 XPZGJEKXERITCN-UHFFFAOYSA-N 444.597 3.985 0 40 IHAB CCOc1cc(CNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)ccc1OC 223971306 JIAQNFCZBOKNOG-UHFFFAOYSA-N 440.521 3.825 0 40 IHAB CCOCCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1Cl 224019974 SUXCRVIRDXVZRL-UHFFFAOYSA-N 431.341 3.951 0 40 IHAB COC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc2ccccc2c1 225046602 BJEMSVMQPDYSJW-UHFFFAOYSA-N 434.311 3.971 0 40 IHAB CCc1ccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]45)[C@H]3C2=O)C(=O)c2ccccc2)cc1 226389715 NSUNHNZFLSVMNS-YWIRWFRESA-N 426.516 3.906 0 40 IHAB Cc1cc(OCC(=O)NC[C@H]2CC[C@H](c3nnc(-c4cnccn4)o3)CC2)ccc1Cl 257278706 ODHUOJDKILHKLL-WKILWMFISA-N 441.919 3.957 0 40 IHAB NC(=O)C[C@]1(COc2ccccc2)CCCN(C(=O)c2ccc(OC(F)(F)F)cc2)C1 257295468 QYKNBWGGPCPPRZ-OAQYLSRUSA-N 436.430 3.762 0 40 IHAB CCOC(=O)c1ccc(NC(=O)c2cccc(N3C(=O)[C@@H]4CC=C(C)C[C@H]4C3=O)c2)cc1 408685703 RAXSXCGJXRLFBB-NHCUHLMSSA-N 432.476 3.961 0 40 IHAB CCCCN1Cc2ccc(NS(=O)(=O)c3cc(C(=O)OCC)ccc3OC)cc2C1 583354543 XDXHXMRYDXEHTJ-UHFFFAOYSA-N 432.542 3.788 0 40 IHAB Cc1ccn(CCOc2ccc(CN3CCC(O)(COc4ccc(F)cc4)CC3)cc2)n1 585271810 CVIOBZOWQHPGGM-UHFFFAOYSA-N 439.531 3.816 0 40 IHAB Cc1c(C(=O)N2CCC3(CC[C@H]3NC(=O)CCc3ccccc3)CC2)nc2ccccn12 1614940989 XVDKYBIWMLWZNB-OAQYLSRUSA-N 430.552 3.777 0 40 IHAB Cc1cc(OCC(=O)N[C@H](C)c2nc3ccccc3n2C)c2c3c(c(=O)oc2c1)CCC3 1615158091 KFOFYRFNXDYMAL-OAHLLOKOSA-N 431.492 3.733 0 40 IHAB CC(C)(C)OC(=O)N[C@@H](CC(=O)O)Cc1ccccc1-c1ccc(S(C)(=O)=O)cc1 1772714787 VKWKNLQDUOPGPF-QGZVFWFLSA-N 433.526 3.668 0 40 IHAB COc1cccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(Br)cc2)c1 862526 XBUIVTIRXGUQEY-KRWDZBQOSA-N 432.343 3.889 0 40 IHAB COc1ccc2cc(CN(Cc3cccnc3)C(=S)NCc3ccco3)c(=O)[nH]c2c1 879658 XTGWKWCMAMKAEH-UHFFFAOYSA-N 434.521 3.602 0 40 IHAB CCc1ccc2c(c1)cc(CN(C(=S)NC[C@H]1CCCO1)C1CCCC1)c1nnnn12 1346601 TUMKZVSRDOEAPK-HXUWFJFHSA-N 438.601 3.638 0 40 IHAB COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CN1c2ccc(F)cc2CC[C@@H]1C 2441379 FZOFEJFQOUUXHS-ZDUSSCGKSA-N 425.460 3.882 0 40 IHAB Cc1[nH]c2ccccc2c1SCCNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 2721121 JDEONPXSFBNMLT-UHFFFAOYSA-N 443.594 3.783 0 40 IHAB O=C(Nc1nnc(-c2cccs2)o1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 2723564 ZNRXLFHDIJWSCE-UHFFFAOYSA-N 432.527 3.615 0 40 IHAB O=c1ccn([C@@H]2C=C[C@@H](OC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)[nH]1 4106360 QMBXXDQXCWZTRH-LOSJGSFVSA-N 438.483 3.956 0 40 IHAB CC(C)N(C(=O)COC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccccc1 5572463 NFHKTFXOWKFQGN-UHFFFAOYSA-N 426.488 3.663 0 40 IHAB CCCOC(=O)c1ccc(N2C[C@@H](C(=O)O[C@H](C)C(=O)c3ccc(C)cc3)CC2=O)cc1 8383837 HKFWLTJYYSMFPT-XLIONFOSSA-N 437.492 3.729 0 40 IHAB O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(F)(F)F)c1ccc(F)cc1 8692581 MCAHGHDXKXMLAK-UHFFFAOYSA-N 446.422 3.804 0 40 IHAB COC(=O)c1ccc(NC(=O)Cn2cc(S(=O)(=O)c3ccccc3)c3ccccc32)cc1 8865216 CQPJKBGMGPLGHL-UHFFFAOYSA-N 448.500 3.899 0 40 IHAB Cc1ccc(OCC(=O)NCCc2nnc3c(C(F)(F)F)cc(Cl)cn23)cc1C 9130383 IRJFIKHYBRUDHZ-UHFFFAOYSA-N 426.826 3.756 0 40 IHAB COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)Nc1cc(-c2ccc(C)cc2)no1 9170841 FWJWHXAXUQIFIU-UHFFFAOYSA-N 442.903 3.821 0 40 IHAB COc1ccccc1C(=O)Nc1nnc(SCC(=O)N2CCCc3ccccc32)s1 9366329 YBBFWLZFNCRWGN-UHFFFAOYSA-N 440.550 3.871 0 40 IHAB CC1(C)Cc2nc3oc4c(=O)n(CC(=O)Nc5cccc(Cl)c5)cnc4c3cc2CO1 9429363 OEOMEJOGUDEFRX-UHFFFAOYSA-N 438.871 3.681 0 40 IHAB Cc1ccc2c(c1)s/c(=N/C(=O)c1ccc(S(=O)(=O)N3CCCC[C@H]3C)cc1)n2C 9445284 YOWYYJJHHPDWBY-PXFSWQRTSA-N 443.594 3.852 0 40 IHAB COc1ccc(OCCCC(=O)OCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1 9485827 AXHRGFWLWQJHEW-UHFFFAOYSA-N 437.496 3.839 0 40 IHAB Cn1c(=O)n(CCCc2ccccc2)c(=O)c2c1nc1n2CCCN1c1cccc(Cl)c1 9519178 YVGVFXMBVWJCTM-UHFFFAOYSA-N 449.942 3.725 0 40 IHAB C[C@H]1Cc2ccccc2N1CC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl 9539691 DSKNGWXQNBDCQW-HNNXBMFYSA-N 433.961 3.514 0 40 IHAB CCOc1ccccc1OCCC(=O)OCC(=O)Nc1c(C)nn(-c2ccccc2)c1C 9985926 ITANRCKTGUTSEP-UHFFFAOYSA-N 437.496 3.839 0 40 IHAB O=C(CNC(=O)c1ccc(Br)o1)N[C@H](c1ccc(F)cc1)c1cccs1 10292078 NLSIEMBUIAPZEP-QGZVFWFLSA-N 437.290 3.878 0 40 IHAB Cc1cc(N2CCN(C(=O)[C@@H](C)Oc3ccc(Br)cc3)CC2)nc(C(C)C)n1 11009976 GQXRSWFNXZDEKZ-MRXNPFEDSA-N 447.377 3.787 0 40 IHAB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NC3CC(C)(C)NC(C)(C)C3)cc2)cc1 11422673 MUCQFMGNVYYNKQ-UHFFFAOYSA-N 429.586 3.835 0 40 IHAB O=C(CCc1csc(NC(=O)c2ccc(F)cc2)n1)Nc1ccc2c(c1)OCCO2 11834910 BRUAULIILGKKGL-UHFFFAOYSA-N 427.457 3.877 0 40 IHAB CC[C@@H](Oc1ccccc1F)C(=O)N[C@H](C)c1nc2cc(-c3ccc(OC)cc3)ncn2n1 12085108 CJPOUELVKXSOEI-FOIQADDNSA-N 449.486 3.974 0 40 IHAB COC(=O)c1ccc(N[C@H]2SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1 12136834 UKQUQOUXLIKIDO-HNNXBMFYSA-N 435.299 3.869 0 40 IHAB CC(C)[C@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)c1cc2ccccc2oc1=O 12185584 AFZPWEIPHIHHSL-SFHVURJKSA-N 435.505 3.533 0 40 IHAB CCCn1c(CCC(=O)NC2CCCCC2)nc2cc(S(=O)(=O)N3CCCC3)ccc21 12582046 PHRNMYMBTIFNJI-UHFFFAOYSA-N 446.617 3.612 0 40 IHAB Cn1cnnc1Sc1ccccc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 12650691 LMPCFMXODWFDMK-UHFFFAOYSA-N 430.433 3.666 0 40 IHAB O=C(Nc1ccc(Br)cc1F)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 12757975 RXZMVDOTLYTOSD-NSHDSACASA-N 447.351 3.689 0 40 IHAB O=C(CN1CCN(C(=O)c2ccc(-c3ccccc3F)o2)CC1)Nc1cccc(F)c1 12785134 PSPVOYNFUPPUOO-UHFFFAOYSA-N 425.435 3.621 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc(-c4ccc(F)cc4)o3)CC2)c1 12915740 QKWVUMCEMJMNRP-UHFFFAOYSA-N 442.512 3.849 0 40 IHAB C[C@H](NC(=O)COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1 13006043 MAUUODQDDMVHIF-HNNXBMFYSA-N 435.446 3.737 0 40 IHAB CN(CC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)Cc1ccccc1Cl 13030227 NVQOPJQXXPHXQU-UHFFFAOYSA-N 435.977 3.585 0 40 IHAB C[C@H](Sc1nnc(COc2ccc(Cl)cc2)o1)C(=O)NCc1ccc2c(c1)OCO2 13117492 OQHWJCOROMABQD-LBPRGKRZSA-N 447.900 3.828 0 40 IHAB CCOc1ccccc1CCCNC(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 13670460 LIOKNCBXFWACCS-UHFFFAOYSA-N 446.613 3.997 0 40 IHAB O=C(c1ccccc1S[C@H]1CCS(=O)(=O)C1)N1CCc2[nH]c3ccccc3c2C1 14245302 SZIWOJIBXJIHEI-HNNXBMFYSA-N 426.563 3.646 0 40 IHAB Cc1cnc(NC(=O)/C=C/c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)s1 14662415 JBCWICZZAPVHSO-DHZHZOJOSA-N 425.535 3.855 0 40 IHAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1C 16692275 MJAAAVGARSMQEZ-UHFFFAOYSA-N 431.341 3.960 0 40 IHAB CCc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCN2CCOCC2)cc1 16741911 LGJGIZZAECFYND-XMMPIXPASA-N 446.547 3.931 0 40 IHAB COc1ccc(C)cc1CC(=O)N1CCC[C@@H](c2cc(N(C)C)nc(-c3cccnc3)n2)C1 19132987 IVGQRBMUBMTDHO-HXUWFJFHSA-N 445.567 3.870 0 40 IHAB CN(C)C(=O)[C@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)c2ccn(C)n2)C1 19290908 IQDYZRUZHBYLNZ-DEOSSOPVSA-N 436.581 3.702 0 40 IHAB C[C@H](C(=O)N1CCC[C@H]1c1nn(C)cc1-c1ccnc(N2CCCC2)n1)c1ccccc1 19459232 FUHWDVUZORAYFX-AVRDEDQJSA-N 430.556 3.945 0 40 IHAB COc1ccc(CN2CCN(c3ncc(-c4cnccn4)c(-c4cccs4)n3)CC2)cc1 19555406 YTPKAPYQGUZAOL-UHFFFAOYSA-N 444.564 3.993 0 40 IHAB COc1cccc(CC(=O)N2CCC[C@@](Cc3ccc(-c4cccnc4)cc3)(C(N)=O)C2)c1 19564163 WOHGQTDEPDFICB-MHZLTWQESA-N 443.547 3.637 0 40 IHAB Cc1noc(C)c1CCC(=O)N1CCNC(=O)[C@H](Cc2cccc(-c3ccc(F)cc3)c2)C1 19580742 LYIWHGAPDXZZNP-JOCHJYFZSA-N 449.526 3.847 0 40 IHAB COCc1nc2ccccc2n1CC(=O)N1CCC[C@@H]1c1ccc(-c2ccc(N)nc2)cn1 19688665 DYYFFBITECYSPN-OAQYLSRUSA-N 442.523 3.586 0 40 IHAB CNc1cc(C2CCNCC2)nc(CN(C)Cc2ccc(OC3CCCC3)c(OC)c2)n1 19710050 NUAIHDRKAKDDJO-UHFFFAOYSA-N 439.604 3.947 0 40 IHAB CCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nnc1-c1cc(OC)cc(OC)c1 19928872 JQUWIMBUROQUBT-UHFFFAOYSA-N 440.525 3.916 0 40 IHAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc(Cl)c1)N(CCN1CCOCC1)C3=O 20308227 IJINOUZSTVAPAZ-OAQYLSRUSA-N 438.911 3.632 0 40 IHAB CN(Cc1ccc(Cl)s1)C(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 20911345 RXFGTOMQFBDRHB-UHFFFAOYSA-N 448.944 3.739 0 40 IHAB Cc1ccc(N2C[C@H](c3nnc(NC(=O)c4ccc(Br)cc4)o3)CC2=O)cc1 21777941 RXZQYLRCBVPTRM-CQSZACIVSA-N 441.285 3.913 0 40 IHAB CCOc1ccc(N(CC(=O)Nc2ccc(OC3CCCC3)cc2)S(C)(=O)=O)cc1 22333198 AOVSOAMCXDWBCS-UHFFFAOYSA-N 432.542 3.811 0 40 IHAB Cc1cc(C)c([C@H](C)NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C 22536710 WHMXBBOFZPPFKM-IBGZPJMESA-N 430.570 3.653 0 40 IHAB CCOc1ccc(C(=O)Nc2c3c(nn2CC(=O)NCc2ccccc2)CSC3)cc1 23139491 ZJLWPBQZQROJSQ-UHFFFAOYSA-N 436.537 3.597 0 40 IHAB CN(C)S(=O)(=O)c1cccc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 23249111 WHVFXSUESXCATO-UHFFFAOYSA-N 449.620 3.844 0 40 IHAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)OCc1cc(=O)n2c(n1)sc1ccccc12 24772855 ZLBFNWJAAYFYPT-HXUWFJFHSA-N 445.500 3.917 0 40 IHAB C[C@H](NC(=O)CN1C(=O)COc2cc(Br)ccc21)c1cc2ccccc2o1 31745608 XYXREASGNCWAFU-LBPRGKRZSA-N 429.270 3.798 0 40 IHAB CC1CCN(Cc2ccc(CNC(=O)CN3C(=O)COc4ccc(Cl)cc43)cc2)CC1 32769523 UMJBXCNUPLKPAX-UHFFFAOYSA-N 441.959 3.614 0 40 IHAB COc1ccc(NC(=O)Cn2cnc3c(-c4ccc(F)cc4)csc3c2=O)cc1OC 38486554 FIBOMSHYERELDA-UHFFFAOYSA-N 439.468 3.920 0 40 IHAB COc1ccc(-n2nnc(-c3nc(C)c(C(=O)NCCCOC(C)C)s3)c2C)cc1 38654987 UMGWOVVVVPBLDL-UHFFFAOYSA-N 429.546 3.561 0 40 IHAB O=C1N[C@H](C(=O)Nc2cccc(OC(F)(F)F)c2)CS[C@H]1Cc1ccccc1F 40057766 IQJJHOLSSSVYCJ-HOTGVXAUSA-N 428.407 3.506 0 40 IHAB Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)CCCNc1ncccn1 40144091 AKFPACAGLSIOMQ-UHFFFAOYSA-N 426.952 3.842 0 40 IHAB O=C(CN[C@H](C(=O)Nc1ccccc1)c1ccccc1)Nc1cccc(N2CCCC2=O)c1 40149534 FRMSFYVUHUNFMB-VWLOTQADSA-N 442.519 3.722 0 40 IHAB O=C(NCc1cccnc1Oc1cccc(F)c1)[C@@H]1CCCN1C(=O)c1cccs1 40157466 BRUIPSCXXPPRHE-SFHVURJKSA-N 425.485 3.996 0 40 IHAB COc1ccc(Cn2c(SCC(=O)N3CCCCC3)nc3ccsc3c2=O)cc1 57425968 AXZJKUBJFYQMKQ-UHFFFAOYSA-N 429.567 3.620 0 40 IHAB C[C@@H]1c2ccsc2CCN1C(=O)CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1 57987306 GDGWTBOIEYCNJE-MRXNPFEDSA-N 433.599 3.626 0 40 IHAB O=C(NC1CCCC1)c1nnn(-c2ccc(NC(=O)c3cccc4ccccc34)cc2)n1 71002989 FDXTYLGNRSNJQT-UHFFFAOYSA-N 426.480 3.740 0 40 IHAB COc1ccccc1CNC(=O)c1cnc([C@@H]2CCCN2C(=O)Cc2ccccc2)nc1C 72345383 YJAZUILKGWRMHX-QFIPXVFZSA-N 444.535 3.630 0 40 IHAB COc1ccccc1S(=O)(=O)N1CCC[C@@H]1c1ccc(Nc2nc(C)cc(C)n2)cn1 72353223 TYUNNMHEVJFPIK-LJQANCHMSA-N 439.541 3.766 0 40 IHAB Cc1nnc(Nc2cccc(C3CCN(CC(=O)Nc4ccc(F)cc4)CC3)n2)s1 72376134 WSLZYGQVBZIIHB-UHFFFAOYSA-N 426.521 3.942 0 40 IHAB O=C(c1cnccn1)N1Cc2ccccc2O[C@@]2(CCCN(Cc3ccccc3)CC2)C1 72394525 CTUPQEFARMCJRL-AREMUKBSSA-N 428.536 3.936 0 40 IHAB CNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(F)cc2F)C2CCCC2)cc1 78336360 IUQOHNSTTZCHPA-UHFFFAOYSA-N 436.524 3.777 0 40 IHAB Cc1nnc(-c2cccc(NC(=O)Cc3cc4c(cc3Br)OCCO4)c2)n1C 95430981 KKYMJPGSKSSNML-UHFFFAOYSA-N 443.301 3.505 0 40 IHAB COC(=O)C[C@@H](NCC(=O)Nc1ccc(Br)cc1Cl)c1cccs1 95941215 TUYGPFXHQQKCJV-CYBMUJFWSA-N 431.739 3.997 0 40 IHAB CC[C@H](C(=O)NCCCc1ccccc1Cl)N(c1ccc(F)cc1)S(C)(=O)=O 219110724 ULKBWZIZZWJNKX-LJQANCHMSA-N 426.941 3.773 0 40 IHAB CC[C@H](C(=O)NCc1ccc(F)cc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 220689154 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O=C(CSc1nnnn1-c1ccc(O)cc1)N1c2ccccc2OC[C@@H]1c1ccccc1 8945169 LQCPLAQXVCAVRE-HXUWFJFHSA-N 445.504 3.627 0 40 IHAB CCOc1ccc([C@H]2Nn3c(CC)nnc3S[C@H]2C(=O)Nc2cccc(OC)c2)cc1 9197732 XQWCPPHNTSRZGD-WOJBJXKFSA-N 439.541 3.646 0 40 IHAB C[C@H](NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1)c1ccc2c(c1)OCCO2 9222768 QLKVMECMRTZWBR-ZDUSSCGKSA-N 436.493 3.959 0 40 IHAB Cc1cccc(N2CCN(C(=O)CCCCCn3cnc4ccccc4c3=O)CC2)c1C 9447614 WDSRMZSFHIFZMF-UHFFFAOYSA-N 432.568 3.923 0 40 IHAB C[C@H](NC(=O)COc1ccc(C(=O)c2ccccc2)cc1)c1ccc(-n2cncn2)cc1 9576776 VHLPDVWELHYNQE-SFHVURJKSA-N 426.476 3.755 0 40 IHAB CCOC(=O)c1sc(NC(=O)CCS(=O)(=O)c2ccccc2)nc1-c1ccccc1 9599540 RQJRVROPKGUBOA-UHFFFAOYSA-N 444.534 3.789 0 40 IHAB CCn1c(SCC(=O)Nc2ccc(N3CCCC3=O)cc2)nnc1-c1cccs1 9642287 QFICGFRIDOVOFU-UHFFFAOYSA-N 427.555 3.884 0 40 IHAB CSCC[C@@H](NC(=O)C1CCC(C)CC1)C(=O)NCCCN1C[C@@H](C)C[C@@H](C)C1 9668175 DYEZODKJFRWBRH-LZNFGNRXSA-N 425.683 3.535 0 40 IHAB C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)OCC(=O)NC2CCCCCC2)cc1 9689684 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435.549 3.616 0 40 IHAB Cc1nc(CN2CCN(C(=O)c3nc(-c4ccccc4)n4c3CCCCC4)CC2)cs1 31262400 PDMYUVXDBXAJDJ-UHFFFAOYSA-N 435.597 3.999 0 40 IHAB C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 32781167 VRCGAKBRPDJZSQ-KRWDZBQOSA-N 429.948 3.736 0 40 IHAB CCCCCNC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1cc(C)ccc1OC 33581560 PJEIZEPVDSYZDG-UHFFFAOYSA-N 434.558 3.514 0 40 IHAB CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=S)NC(=O)c2ccccc2C)CC1 34695250 QRWSQOWARHYMAD-UHFFFAOYSA-N 444.988 3.834 0 40 IHAB O=C(/C=C/c1ccc(S(=O)(=O)N2CCCCCC2)cc1)Oc1ccc2c(c1)OCO2 35304638 CBRUMFUUIHGUEN-KPKJPENVSA-N 429.494 3.599 0 40 IHAB CC[C@H](C)N(Cc1ccccc1)C(=O)Cn1cnc2ccc(Br)cc2c1=O 40130769 PEDGZSUESPSLOD-HNNXBMFYSA-N 428.330 3.986 0 40 IHAB O=C(NCC1CCN(Cc2ccsc2)CC1)C(=O)Nc1cccc(C(F)(F)F)c1 43941052 GKXCNHDIBQMUPD-UHFFFAOYSA-N 425.476 3.734 0 40 IHAB CC(=O)N1CSC[C@H]1C(=O)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 48374133 MAWJCGZYDDLZEE-UWJYYQICSA-N 427.957 3.991 0 40 IHAB CCOc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccc(Cl)cc5)no4)ncn3n2)cc1 49004288 FCSZHKWXRNRXES-UHFFFAOYSA-N 448.870 3.708 0 40 IHAB CCc1cccc(C)c1NC(=O)CN1C(=O)N[C@@H](c2cc(C)ccc2C)C2=C1COC2=O 67288791 FGHRBPFAOZHRED-QHCPKHFHSA-N 433.508 3.690 0 40 IHAB Cc1ccc(F)cc1NC(=O)c1nnn(CC(=O)Nc2ccc(Br)cc2)c1C 67322590 WRGWNOVKHDHHOH-UHFFFAOYSA-N 446.280 3.688 0 40 IHAB Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(N(C)C(=O)[C@@H](C)n3nc(C)cc3C)c(F)c2)n1 72300838 JQRYQZDEEMTBRP-QZTJIDSGSA-N 440.523 3.876 0 40 IHAB COc1ccc(CN2CCN(C)C(=O)[C@@H]2Cc2ccc(-c3ccncc3)cc2)cc1OC 72351834 NSSIVJLCPAULJI-QHCPKHFHSA-N 431.536 3.651 0 40 IHAB CNC(=O)c1sc2ccccc2c1[C@H]1CCN(Cc2cc3c(cc2C)n(C)c(=O)n3C)C1 72352322 LNOACZNYAJSGCE-INIZCTEOSA-N 448.592 3.749 0 40 IHAB CCNC(=O)[C@@]1(Cc2cccc(-c3ccc(C)cc3)c2)CCN(C(=O)c2c[nH]nc2C)C1 72390564 YLPXMGQARDFRDO-AREMUKBSSA-N 430.552 3.905 0 40 IHAB CC(=O)c1ccccc1NC(=O)CN1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn23)C1 83862099 WNMPMDHCKUVMAW-HNNXBMFYSA-N 445.445 3.769 0 40 IHAB COc1ccc(CN2CC[C@@H]3Oc4ccccc4S(=O)(=O)N(CC(C)C)[C@H]3CC2)cc1 96145766 OXCYETUSGWRQKH-VXKWHMMOSA-N 444.597 3.768 0 40 IHAB CS(=O)(=O)C(Br)(Br)[C@@H](O)c1ccc(Cl)cc1Cl 96520844 PGEUFJSHWZRREN-QMMMGPOBSA-N 426.941 3.515 0 40 IHAB O=C(NCc1ccco1)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CCCC2 102345241 SISLPRPSHIFJOM-LUVWLHFXSA-N 440.521 3.611 0 40 IHAB COc1ccc(NC(=O)c2cnn3c2NC(C(=O)O)=C[C@H]3c2cccs2)cc1Cl 102810889 KVWIBVZNLOWLLH-AWEZNQCLSA-N 430.873 3.842 0 40 IHAB C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](CC(=O)[C@H]5C[C@@H](O)CC[C@@]54C)[C@@H]3CC[C@H]1[C@@]2(C)O 103931735 IQDIERHFZVCNRZ-QUGCUGBHSA-N 429.645 3.886 0 40 IHAB O=C(COc1c(Br)cc(C(=O)O)cc1Br)NC1CCCCC1 217735435 OHIKCXNSZLWBRP-UHFFFAOYSA-N 435.112 3.738 0 40 IHAB Cc1ccc(C(=O)Nc2nnc(SCC(C)C)s2)cc1S(=O)(=O)N1CCCC1 222550017 ARCNEKCZZGXGPE-UHFFFAOYSA-N 440.616 3.631 0 40 IHAB CCCSc1nnc(NC(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)s1 223256835 MBNQVCYALXDPMA-UHFFFAOYSA-N 449.023 3.879 0 40 IHAB CN(c1ccc(C(=O)NCCOc2ccccc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 223918087 CYUHITSNOXBURD-UHFFFAOYSA-N 444.940 3.974 0 40 IHAB CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccc(Br)cc1 225400683 COZZJCHYWKFWGS-CYBMUJFWSA-N 439.737 3.645 0 40 IHAB COc1ccccc1C(=O)N1C[C@@H]2C[C@H]1C(=O)N(Cc1ccccc1)c1ccccc1O2 225478352 NBXMLFLFMSHDND-UGKGYDQZSA-N 428.488 3.904 0 40 IHAB biogenic,in-vitro COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCOc2ccccc2Cl)cc1 225696115 CBPUFZOUCLZHID-HKWRFOASSA-N 440.883 3.908 0 40 IHAB COc1ccc(CCC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)cc1C 225780222 TZZZRXYZPOHGRI-UHFFFAOYSA-N 446.569 3.758 0 40 IHAB COc1cccc(N(C)C(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(F)cc2)c1 226008766 XRAQLIRQDAVHFU-UHFFFAOYSA-N 434.533 3.821 0 40 IHAB Cc1cc(-c2cnn(C)c2)cc([C@H]2CN(CC(=O)N(Cc3ccccc3)C(C)C)CCO2)n1 257200724 AEQPKSKLNSLGKM-RUZDIDTESA-N 447.583 3.601 0 40 IHAB Cc1nc(C)c(C(=O)N2CCO[C@@H](c3cc(CCOc4ccc(F)c(F)c4)[nH]n3)C2)s1 257219296 DGIGYFPIEYLSFK-LJQANCHMSA-N 448.495 3.596 0 40 IHAB CN1C(=O)C2(CCN(C(=O)c3ccccc3CN3CCCC3)CC2)C[C@H]1Cc1ccccc1 257246750 IVRDCIWBAHOGCA-XMMPIXPASA-N 445.607 3.978 0 40 IHAB Cc1nc(CC2CCN(S(=O)(=O)c3ccccc3)CC2)cc(Nc2ncc(C)s2)n1 257263191 LOUGBOACNYWETE-UHFFFAOYSA-N 443.598 3.937 0 40 IHAB COc1ccc(C(=O)N2CCC[C@@](C)(c3cc(N)nc(C)n3)C2)cc1NCc1ccncc1 257341486 ZKOJYNQVVGDYKH-RUZDIDTESA-N 446.555 3.577 0 40 IHAB Cc1ccc(Cl)cc1N([C@H](C)C(=O)NCCOc1ccc(Cl)cc1)S(C)(=O)=O 260844214 HEDQXVTYMDKRQX-CQSZACIVSA-N 445.368 3.652 0 40 IHAB Cn1nccc1[C@@H]1CN(C(=O)c2cccs2)C[C@]12CCCN(Cc1ccccc1)C2=O 306131833 KQQAVPIBLYTJFQ-YADARESESA-N 434.565 3.530 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)CCc2ccc(S(=O)(=O)NC(C)C)cc2)cc1 408584344 OLLHRXUQIBCDLI-UHFFFAOYSA-N 446.569 3.902 0 40 IHAB C[C@H](c1ccccc1)N1C[C@@H](C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)CC1=O 408656720 OCEPFOQVFUGDGZ-ZBFHGGJFSA-N 434.414 3.797 0 40 IHAB CC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 408660576 AYZDHJFWSLZIEJ-UHFFFAOYSA-N 436.386 3.809 0 40 IHAB Cc1cccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)c1C 408671938 YKVAZPQCUPTPQC-WOJBJXKFSA-N 432.476 3.555 0 40 IHAB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)cc(OC)c1O 409357148 JCRACCXOJFZVAL-VCHYOVAHSA-N 442.493 3.701 0 40 IHAB CC(C)(C)OC(=O)N[C@@H]1C[C@@H](Oc2ccc(F)cc2)[C@H](O)[C@H]1N1CCc2ccccc2C1 585263308 WHKUXXCSGXJDQC-LUKWVAJMSA-N 442.531 3.658 0 40 IHAB O=C(NC[C@@H](O)COc1ccccc1)N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 612604527 UYBSXSOWZVUOJT-NFBKMPQASA-N 448.498 3.656 0 40 IHAB CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H]2c2ccc(Cl)cc2)c(F)c1 1661928735 CUBFQGRMUUPUIV-QGZVFWFLSA-N 446.953 3.767 0 40 IHAB COc1ccc([C@@](O)(C(=O)N2CCC[C@H]2c2ccnc(N(C)C)c2)c2ccccc2)cc1 1848352656 ANZJBZMXCSBEPS-JYFHCDHNSA-N 431.536 3.756 0 40 IHAB CC(=O)N1CCCCCCCN(CC(C)C)Cc2cc(C(=O)N3CCN(C)CC3)ccc21 1848441829 ISDVLCCRPGTYJX-UHFFFAOYSA-N 442.648 3.849 0 40 IHAB COc1ccc(-n2c(SCC(=O)NCCc3ccccc3)nnc2-c2ccccn2)cc1 1362799 IFAHIJVJJFISAL-UHFFFAOYSA-N 445.548 3.789 0 40 IHAB O=C(COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)Nc1cccc(Cl)c1 1973275 IBVBSNNSWSNQIX-UHFFFAOYSA-N 434.835 3.936 0 40 IHAB CN1C(=O)[C@]2(c3ccccc31)c1c(oc3ccccc3c1=O)C(=O)N2CCc1ccccc1 2238949 GGJHFTOTMWVTIK-MHZLTWQESA-N 436.467 3.712 0 40 IHAB Cc1ccc([C@]2(C)NC(=O)N(Cc3nnc(-c4ccccc4Br)o3)C2=O)cc1 2647929 JDRRTVQRVIOYKU-FQEVSTJZSA-N 441.285 3.775 0 40 IHAB COc1cc(OC)cc(C(=O)N[C@H](C(=O)Nc2nc3ccc(OC)cc3s2)C(C)C)c1 2658202 JXQZEINVYISXKT-IBGZPJMESA-N 443.525 3.715 0 40 IHAB CCn1cc(-c2ccnc(SCC(=O)N[C@@H](C)c3cc(OC)ccc3OC)n2)c(C)n1 2730917 CQKQEYNOFDUXDS-AWEZNQCLSA-N 441.557 3.655 0 40 IHAB COc1ccc(CCNC(=O)CSc2nc(Cc3ccccc3)c(C)[nH]2)cc1OC 4485591 RJXJOBAKFVZAKV-UHFFFAOYSA-N 425.554 3.777 0 40 IHAB COc1ccc(NC(=O)CSc2nnc(-c3ccoc3C)n2C[C@H]2CCCO2)cc1 8676875 CKESRDWYENFIOT-QGZVFWFLSA-N 428.514 3.765 0 40 IHAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN2CCc3sccc3[C@@H]2C2CC2)c1 8709600 WDMKIMLTHRQPIW-QFIPXVFZSA-N 447.626 3.727 0 40 IHAB CN(Cc1nc2ccccc2s1)C(=O)CSc1nnc(Cc2cccs2)n1C 8849920 NBPCNHCYTWXHJP-UHFFFAOYSA-N 429.596 3.828 0 40 IHAB Cc1ccccc1OCc1n[nH]c(SCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)n1 8850238 QJVIVNFUZIOKQN-HNNXBMFYSA-N 437.525 3.548 0 40 IHAB CC(=O)[C@@H]1[C@H](C(=O)c2cccnc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 8964542 CCMDLTKZCCBGQJ-ZOJNDGCKSA-N 435.483 3.644 0 40 IHAB biogenic CCn1c(SCCCc2ccccc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 9093001 WTVFIKGBRRYNGM-UHFFFAOYSA-N 445.610 3.802 0 40 IHAB COc1ccc(C)cc1NC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)CC1 9191020 ZXAULXMKGWTYAN-HXUWFJFHSA-N 449.551 3.542 0 40 IHAB COc1ccccc1NC(=O)Cc1nnc(SCCOc2ccc(Cl)cc2)n1C 9263757 SCHBOVWASSVKDE-UHFFFAOYSA-N 432.933 3.829 0 40 IHAB COC(=O)c1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2cccnc2)N2N=CNC2=N3)cc1 9309806 XVQRXKPXDKBDBP-PKTZIBPZSA-N 437.459 3.672 0 40 IHAB O=C(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)N(Cc1ccco1)C1=CCCCC1 9389668 MDAXBKARORAANE-JOCHJYFZSA-N 446.507 3.711 0 40 IHAB COc1ccc(Cl)cc1NC(=O)Cn1cnc2c(cnn2-c2ccc(Cl)cc2)c1=O 9416385 IYIROFRAOQZLFC-UHFFFAOYSA-N 444.278 3.536 0 40 IHAB COc1cc(NC(=O)[C@H]2CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)cc(OC)c1OC 9476577 DYWVQQXQKIFSBT-KRWDZBQOSA-N 437.496 3.685 0 40 IHAB CN(c1ccc(OCC(=O)NCCC2=CCCCC2)cc1)S(=O)(=O)c1cccs1 9508462 RHVURWHIDOQBJZ-UHFFFAOYSA-N 434.583 3.959 0 40 IHAB CCOc1ccc(C(=O)Nc2c(N)nc(SCc3ccc(Cl)cc3)[nH]c2=O)cc1 9518183 FZEQOBVIZYZRQS-UHFFFAOYSA-N 430.917 3.949 0 40 IHAB CCN(CC)C(=O)Cn1cc(C(=O)C(=O)NC(C)(C)Cc2ccccc2)c2ccccc21 9518850 URNMRNDJTPVUFL-UHFFFAOYSA-N 433.552 3.830 0 40 IHAB CN(C(=O)CN1C(=O)N[C@](C)(c2cc3ccccc3o2)C1=O)[C@H]1CCCc2ccccc21 9579922 DYMQYLOOZAGAME-UQBPGWFLSA-N 431.492 3.736 0 40 IHAB O=C(Oc1ccc2c(c1)OCO2)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O 9635563 MKJAIZZCMBSRAK-UHFFFAOYSA-N 448.884 3.769 0 40 IHAB O=S1(=O)CC[C@@H](N(Cc2ccco2)S(=O)(=O)c2ccc(C3CCCCC3)cc2)C1 9794330 XXQCECFECYVHLC-LJQANCHMSA-N 437.583 3.705 0 40 IHAB O=C(Cn1nc(-c2ccc(Br)cc2)ccc1=O)NCc1ccccc1Cl 10131955 OMKXQSGWJJXWSR-UHFFFAOYSA-N 432.705 3.643 0 40 IHAB COc1ccc(N(CC(=O)N2CCC[C@H](C)C2)S(=O)(=O)c2ccccc2)cc1Cl 10541177 NDDRZHCAXKMPQY-INIZCTEOSA-N 436.961 3.802 0 40 IHAB CCN1CCC(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2cccc(C)c2)CC1 11877995 LVTNBPJDJVLFQJ-UHFFFAOYSA-N 449.624 3.859 0 40 IHAB COc1ccc(-c2n[nH]cc2CN2CCC3(CC2)Nc2ccccc2C2=NCCN23)cc1 12086115 BFNUEVAMFNQQDF-UHFFFAOYSA-N 428.540 3.565 0 40 IHAB CC(C)(C)c1cccc(OCC(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@@H]2CCCO2)c1 12981224 RWHOINJSTAWLCC-FQEVSTJZSA-N 449.551 3.807 0 40 IHAB CN(Cc1c(F)cccc1Cl)C(=O)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1 12984061 KKRLAUXTHRCLMO-UHFFFAOYSA-N 444.860 3.674 0 40 IHAB Cc1ccc(-c2nc(CN3CCN(S(=O)(=O)c4cc(F)ccc4F)CC3)co2)c(C)c1 13013104 GPNHEQAPCZDYPZ-UHFFFAOYSA-N 447.507 3.743 0 40 IHAB COc1cc(-c2noc([C@@H]3CC(=O)N(c4ccc(C)c(F)c4)C3)n2)cc(OC)c1OC 13037048 WEZDCCXIRMABAC-CQSZACIVSA-N 427.432 3.730 0 40 IHAB C[C@H]1CN(C(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(F)cc2)C[C@@H](C)O1 13098665 IXYVXCHYUAJQTK-IYBDPMFKSA-N 426.517 3.801 0 40 IHAB C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)COc2ccccc2-c2ccccc2)C1=O 13118109 ZDXOZZKFJRJQCB-SANMLTNESA-N 443.503 3.707 0 40 IHAB CC(C)[C@@H](C)NC(=O)CSc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2 13131115 IOMFEADZECONSG-MRXNPFEDSA-N 438.553 3.975 0 40 IHAB COCCCn1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1-c1ccoc1C 13512166 SKOFAEIVSLPHHX-UHFFFAOYSA-N 430.530 3.931 0 40 IHAB COc1ccc2[nH]c(C(=O)NCCCC(=O)Nc3nc4ccccc4s3)cc2c1OC 13733199 FYSQHXVMKPJXMP-UHFFFAOYSA-N 438.509 3.944 0 40 IHAB Cc1ccc(-n2nc(C)c3c2NC(=O)[C@H](C)S[C@H]3c2ccc(OCC(N)=O)cc2)cc1 13995323 SFKAYYBHHWYTNG-BTYIYWSLSA-N 436.537 3.516 0 40 IHAB COc1ccc([C@@]2(C)NC(=O)N(NC(=O)c3cccc(Oc4ccccc4)c3)C2=O)cc1 14108502 RESDSOYAASDFIP-XMMPIXPASA-N 431.448 3.600 0 40 IHAB COc1ccc(OC)c(NC(=O)c2cccn(Cc3ccc(Br)cc3)c2=O)c1 15882904 LFYVGQGPFXVJPL-UHFFFAOYSA-N 443.297 3.929 0 40 IHAB O=C(Oc1ccc2oc3c(c2c1)CCCC3)c1cccc(S(=O)(=O)N2CCOCC2)c1 16001968 DOIWCWBAYBRXHI-UHFFFAOYSA-N 441.505 3.552 0 40 IHAB Cc1ccccc1OCCC(=O)N1CCNC(=O)[C@H](Cc2ccccc2-c2ccncc2)C1 19237387 XCOKYJQJRATAEA-HSZRJFAPSA-N 443.547 3.643 0 40 IHAB Nc1cncc(C(=O)N2CCc3nc(-c4cccnc4)nc(Nc4cccc(F)c4)c3C2)c1 19293977 PBLLSNAYTNJPDF-UHFFFAOYSA-N 441.470 3.597 0 40 IHAB Cc1c(C(=O)N2CCC3(CC2)Nc2ccccc2-n2cccc23)sc2nc[nH]c(=O)c12 19563694 ZQBWQXBPXIUDHV-UHFFFAOYSA-N 431.521 3.641 0 40 IHAB CSCC[C@@H](NC(=O)c1cc2c(s1)CCCC2)c1cc(=O)[nH]c(-c2cccnc2)n1 19573970 ZBBODJJYNJQFPS-MRXNPFEDSA-N 440.594 3.996 0 40 IHAB C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCN(C(=O)c4cc(C(C)(C)C)nn4C)C3)cc2N1 19574942 OOTGKPIMOPIXPZ-IIYDPXPESA-N 438.498 3.851 0 40 IHAB CCn1cncc1C(=O)N1CCc2nc(-c3ccncc3)nc(Nc3cccc(F)c3)c2C1 19578456 DYMODPKBTKLJPN-UHFFFAOYSA-N 443.486 3.836 0 40 IHAB O=S(=O)(Nc1nccs1)c1ccc(NS(=O)(=O)c2cccc3ccccc23)cc1 19593669 JDNSGRUROMBXEM-UHFFFAOYSA-N 445.547 3.898 0 40 IHAB COc1ccc(-c2cnc(N(C)C)nc2C2CCN(C(=O)CC[C@@H]3CCCO3)CC2)cc1 19695220 MIRAIGXTJQNMER-NRFANRHFSA-N 438.572 3.883 0 40 IHAB NC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(C(=O)Cc2ccccc2F)CC1 19700261 QUDJHCXKNRPSEY-UHFFFAOYSA-N 431.511 3.767 0 40 IHAB Cc1nc([C@@H]2CCCN2C(=O)CCOc2ccc(Cl)cc2)ncc1C(=O)N1CCCC1 19755979 PCIAPSDYFLWAGZ-FQEVSTJZSA-N 442.947 3.807 0 40 IHAB Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(F)c(F)c2F)cc1 19930897 HNFGFTWOXOAHJH-IBGZPJMESA-N 448.466 3.941 0 40 IHAB O=C(COc1ccc(S(=O)(=O)N2CCCCCC2)cc1)Nc1ccc(F)c(F)c1F 20021321 MVENHVPXBJHRHS-UHFFFAOYSA-N 442.459 3.686 0 40 IHAB COc1ccc([C@@H](CC(C)C)NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 20050908 PFIUDEQKDSOLKI-OAQYLSRUSA-N 432.586 3.982 0 40 IHAB O=C(COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1ccc(F)cc1 21841601 GDUQGVBGCZGIEV-UHFFFAOYSA-N 425.382 3.638 0 40 IHAB CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)OCc2ccc(F)cc2Cl)cc1 22324209 YGUOJVWYZXBBDH-UHFFFAOYSA-N 441.908 3.826 0 40 IHAB CN1CCN(c2ccc(NC(=O)c3nn(-c4ccc(F)cc4)c4c3CCCC4)cc2)CC1 22460532 JXEMZCCNNDJFEZ-UHFFFAOYSA-N 433.531 3.894 0 40 IHAB COc1ccc(OC[C@H](O)CN2CCN(c3ccccc3OC)CC2)c(C(C)(C)C)c1 22573506 HAEBTKYOWJXOKA-LJQANCHMSA-N 428.573 3.563 0 40 IHAB CCc1nc2sc([C@@H](c3ccco3)N3CCN(c4ccccc4F)CC3)c(O)n2n1 22854875 GGVQSENUTCZBGP-GOSISDBHSA-N 427.505 3.703 0 40 IHAB COc1ccc(CN2CCN(Cc3nc4scc(-c5ccccc5)c4c(=O)[nH]3)CC2)cc1 22931558 PFEWSXYBFLIPAO-UHFFFAOYSA-N 446.576 3.978 0 40 IHAB O=C1C(=O)N(CN2CCc3sccc3[C@@H]2c2ccccc2)C(=O)N1Cc1ccccc1 23936990 GSGVTVYITHTMPZ-NRFANRHFSA-N 431.517 3.644 0 40 IHAB O=C(Nc1c(F)cccc1F)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 24613558 SCXLAXUROIFRKC-UHFFFAOYSA-N 446.878 3.938 0 40 IHAB COc1ccc([C@H](CNC(=O)c2cccc(-n3cnnn3)c2)c2c[nH]c3ccccc23)cc1 24924017 DOQYMKXJVYTZCU-QFIPXVFZSA-N 438.491 3.714 0 40 IHAB Cc1ccc(F)cc1NC(=O)[C@@H](C)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 25153340 BDHGIYHIDUHEPW-MRXNPFEDSA-N 426.488 3.827 0 40 IHAB O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)N[C@@H](c1ccccc1)c1cccs1 26940265 MGMCLDKEOGZFSP-QFIPXVFZSA-N 443.546 3.589 0 40 IHAB CC(C)n1ncc2c(C(=O)NCc3cccnc3-n3ccnc3)cc(-c3ccco3)nc21 29912153 UXHXBWAYJYIJHR-UHFFFAOYSA-N 427.468 3.783 0 40 IHAB Cc1ccc(CN(C)C(=O)[C@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)cc1 30865468 HVHYCDWBIKEDGO-QHCPKHFHSA-N 428.598 3.628 0 40 IHAB CCCn1c(=O)[nH]c(=O)c2c(C(=O)N(C)Cc3cccc(Cl)c3)cc(C(C)C)nc21 32078447 GNDIEMYPEWNACP-UHFFFAOYSA-N 428.920 3.544 0 40 IHAB Cc1cccc(OCC(=O)Nc2ccccc2N2CCN(C(=O)c3ccccc3)CC2)c1 32125323 AAFSFLPFDRKKQK-UHFFFAOYSA-N 429.520 3.975 0 40 IHAB COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1ccc(OC(F)F)cc1 32967192 CSVODPAWXGOVGB-QGZVFWFLSA-N 435.423 3.608 0 40 IHAB CCCn1cnc2nc(CSc3ccccc3NC(=O)c3ccc(F)cc3)cc(=O)n21 33014380 KRZASCUWPYGVLA-UHFFFAOYSA-N 437.500 3.985 0 40 IHAB CCN(CC)C(=O)c1cnc2ccc(F)cc2c1S(=O)(=O)c1ccc(OC)c(OC)c1 33249459 DHPXMVOYVTWQLY-UHFFFAOYSA-N 446.500 3.706 0 40 IHAB Cc1ccccc1-n1nnnc1SCC(=O)Nc1nc(-c2ccc(F)cc2)cs1 34856462 JYDUXEYPPCKBKW-UHFFFAOYSA-N 426.502 3.964 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(Cc4ccc(F)cc4)o3)C2)cc1 35596936 LTWYPOVMRZUALZ-QGZVFWFLSA-N 445.516 3.767 0 40 IHAB COc1ccc(CNC(=O)NCC2CCN(C(=O)Nc3ccc(F)cc3)CC2)cc1OC 44006120 OQNJVZMOEFLZHC-UHFFFAOYSA-N 444.507 3.586 0 40 IHAB Cc1ccc([C@@H](CN2CCOCC2)NCC(=O)N(Cc2ccccc2)Cc2ccco2)cc1 49592423 QXMKZMYXRFQDCB-AREMUKBSSA-N 447.579 3.780 0 40 IHAB CCc1ccccc1NC(=O)Cn1c(=O)n(-c2cc(F)cc(F)c2)c(=O)c2sccc21 57429004 FMDAKNURIFXVLZ-UHFFFAOYSA-N 441.459 3.693 0 40 IHAB COc1cc2c(cc1OC)C(=O)N[C@]1(N2)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 58157420 YFORYCLYGDCMQU-DEOSSOPVSA-N 449.894 3.912 0 40 IHAB COc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)c(C(=O)N(C)C)cc1OC 60300408 IYTJOSYSUWTJLB-HUUCEWRRSA-N 447.329 3.910 0 40 IHAB COC(=O)[C@H](NC(=O)COc1ccc(Br)cc1)c1ccccc1C(F)(F)F 65614216 IJNIFFFKIZWOKT-MRXNPFEDSA-N 446.219 3.877 0 40 IHAB CCOc1ccc(S(=O)(=O)NCC2CCN(c3nc4ccccc4o3)CC2)cc1F 70924006 DXYJYXRMFCCZPO-UHFFFAOYSA-N 433.505 3.561 0 40 IHAB CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2cc3c(C)nn(C)c3s2)CC1 72058197 DQKSEMJIVMYMQC-AWEZNQCLSA-N 429.565 3.715 0 40 IHAB CC[C@](C)(CCCNC(=O)[C@@H]1CCCN(C(=O)Nc2cccc(C)c2)C1)C1OCCO1 72306337 BHLGMVGAYDXUOD-NTKDMRAZSA-N 431.577 3.925 0 40 IHAB COCC(=O)NC[C@@H]1C=C(C)[C@H](Cc2nc3cc(C(=O)OC)ccc3[nH]2)C[C@H]1C(C)C 72320986 AYUVKKQUVVQPTF-FHWLQOOXSA-N 427.545 3.509 0 40 IHAB biogenic,in-vitro CCOc1ccc(CCC(=O)N2CCC[C@@H](c3nc(-c4ccccc4)c(C(N)=O)[nH]3)C2)cc1 72370188 GTIZGSZFRQDOEJ-HXUWFJFHSA-N 446.551 3.913 0 40 IHAB COc1ccc(NC(=O)[C@H]2CCN(c3ccccc3Br)C2=O)c2cccnc12 83937457 GXOXWPDVRSGKJN-CQSZACIVSA-N 440.297 3.998 0 40 IHAB CC(C)[C@@H](O)C1(CNC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)CC1 95463273 OZLLYWAZUMVJOK-CRAIPNDOSA-N 427.372 3.759 0 40 IHAB COc1ccc(NC(=O)CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1Cl 95950324 QHPURDLHFNLHCK-UHFFFAOYSA-N 428.842 3.523 0 40 IHAB CC(=O)O[C@H]1[C@H](c2ccc(=O)oc2)[C@@]2(C)CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@]23O[C@H]13 118913281 SCULJPGYOQQXTK-PDZYCRFKSA-N 442.552 3.800 0 40 IHAB C[C@@H]1CC[C@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4C(=O)[C@@H](O)[C@]3(C)[C@H]1[C@H]2C 118936264 DGRJLOFFNWNGJO-BIQJNZLPSA-N 446.628 3.944 0 40 IHAB COc1ccc(OC)c(NC(=O)COC(=O)CCCC(=O)Nc2ccccc2Cl)c1 138732076 OABLUHHHOWANNC-UHFFFAOYSA-N 434.876 3.648 0 40 IHAB CCCCNC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1ccc(CC)cc1)S(C)(=O)=O 220278379 OAIACCALRZXGGR-QGZVFWFLSA-N 445.585 3.572 0 40 IHAB CCCNC(=O)c1ccccc1NC(=O)[C@H](CC)N(c1cc(C)ccc1C)S(C)(=O)=O 220544759 KITJHJOFMBUOML-FQEVSTJZSA-N 445.585 3.627 0 40 IHAB CC[C@@H](C(=O)Nc1cccc(C(=O)OC)c1)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O 220738347 RIYPOVWNHLKRGQ-SFHVURJKSA-N 438.933 3.618 0 40 IHAB CCOC(=O)c1cccc(NC(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)c1 222536300 PFOCMPITMLUELK-UHFFFAOYSA-N 438.505 3.941 0 40 IHAB CCOc1ccc(C(=O)N2c3ccc(S(=O)(=O)NCc4ccco4)cc3C[C@H]2C)cc1 223378249 OHKZVPSXHLVPLL-MRXNPFEDSA-N 440.521 3.748 0 40 IHAB O=S(=O)(Nc1ccc(Oc2cccnc2)cc1Cl)c1ccc2nc(O)nc(O)c2c1 253537737 XMOWBZANYZZYKY-UHFFFAOYSA-N 444.856 3.683 0 40 IHAB CC(=O)c1ccc(-c2ccc(C=c3sc4nc(-c5ccc(F)cc5)nn4c3=O)o2)cc1 254741107 RPLNTVNSIQSZOK-UHFFFAOYSA-N 431.448 3.967 0 40 IHAB CNC(=O)c1cc(C)nc(C2(C)CCN(C(=O)C3(c4ccc(F)cc4)CCCC3)CC2)n1 257208271 BLKNSDTXLLRYQY-UHFFFAOYSA-N 438.547 3.676 0 40 IHAB COc1ccc2c(c1)OC(C)(C)[C@H]1CC3(CCN(C(=O)c4ccnc(C)n4)CC3)CO[C@H]21 257317078 VIHFUPOBOKWYRQ-SIKLNZKXSA-N 437.540 3.965 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NC1CC1)c1ccc(Cl)c(Cl)c1 408589516 FYTYIILQIVVRCX-UHFFFAOYSA-N 443.352 3.784 0 40 IHAB Cc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(C)cc2)cc1 409073831 TZDSJLUCLQKCAP-VNGKGULCSA-O 432.931 3.973 0 40 IHAB Cc1ccc(Cl)c(OC[C@]2(O)CCCN(Cc3ccc(OCCN(C)C)cc3)C2)c1 585272708 OBUYGUODFBZEJH-DEOSSOPVSA-N 432.992 3.995 0 40 IHAB CC(C)(C)CC(=O)N1CCCCC2(CO)CCN(CC2)C(=O)c2ccccc2OCC1 643575033 JUMVQZCNLVKBFQ-UHFFFAOYSA-N 430.589 3.729 0 40 IHAB O=Cc1cn(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c2ccccc12 1330439 PVUYAUBMNVULBX-UHFFFAOYSA-N 439.537 3.657 0 40 IHAB COc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2C[C@H]2CCCO2)cc1OC 2418687 GHYGWTPQHWSGBY-QVKFZJNVSA-N 439.439 3.674 0 40 IHAB COc1ccc(C(=O)N2CCCCCC2)cc1S(=O)(=O)N1CCCc2ccccc21 2633121 ABOXCUHGXNBRFK-UHFFFAOYSA-N 428.554 3.853 0 40 IHAB COc1ccc(-c2nnc(S[C@@H](C)C(=O)NC(N)=O)n2-c2ccccc2C(C)C)cc1 3484201 QDAASOUFFDLHKC-AWEZNQCLSA-N 439.541 3.742 0 40 IHAB CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1 3559911 CAVAEQQPPFTVFN-UHFFFAOYSA-N 430.526 3.599 0 40 IHAB COc1ccc(CNC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)cc1 3592533 RXMPVSRYHDBZSL-UHFFFAOYSA-N 431.521 3.746 0 40 IHAB CCSc1nnc2c(n1)O[C@@H](c1ccc(C(=O)OC)cc1)N(C(C)=O)c1ccccc1-2 3640771 LTSDSKVSBWCODT-FQEVSTJZSA-N 436.493 3.881 0 40 IHAB CC[C@H](C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(=O)N(CC)CC 8694333 VDLYJQCMLYRAIR-JTSKRJEESA-N 439.556 3.960 0 40 IHAB CCn1c(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)nnc1[C@H](C)NC(=O)c1ccccc1 8784370 VNVJYSAWHHDJHD-LSDHHAIUSA-N 448.552 3.879 0 40 IHAB CC(=O)Nc1cccc(NC(=O)CSc2nc(CC(=O)N3CCC[C@H](C)C3)cs2)c1 8849922 DTDDKMYCEZBHQU-AWEZNQCLSA-N 446.598 3.633 0 40 IHAB O=C(NCCOCc1ccccc1)c1cccc(C(=O)NCCOCc2ccccc2)c1 8856937 BWGQEZXSILSZDA-UHFFFAOYSA-N 432.520 3.580 0 40 IHAB COc1ccccc1CCNC(=O)[C@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1 9050766 NALGSKPELYSSCS-NRFANRHFSA-N 433.552 3.707 0 40 IHAB Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3cccc(Cl)c3)c(=O)n2C)cc1C 9192884 QCYUNCQOZAYOLG-UHFFFAOYSA-N 449.942 3.757 0 40 IHAB COc1cc(/C=C/C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)ccc1OC(F)F 9247041 VFXQQMFHVQDZSJ-FLUIGGAXSA-N 449.406 3.651 0 40 IHAB CC(C)[C@@H](NCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl)c1ccc(F)cc1 9314522 NJEKFVAQHIFMAD-HXUWFJFHSA-N 441.956 3.655 0 40 IHAB Nn1c(SCC(=O)Nc2ccccc2Sc2ccccc2)nnc1-c1cccnc1 9402837 HLCVBDMJTWQZMW-UHFFFAOYSA-N 434.550 3.936 0 40 IHAB C[C@H](NC(=O)c1ccccc1NC(=O)Cn1ncc(=O)c2ccccc21)c1ccccc1 9534151 BWEUPQGZEGZXIF-KRWDZBQOSA-N 426.476 3.526 0 40 IHAB Cc1ccc(-c2csc3ncn(CC(=O)NC(=O)N[C@@H]4CCCC[C@H]4C)c(=O)c23)s1 9536802 LEHJJOZADQFPTE-IUODEOHRSA-N 444.582 3.899 0 40 IHAB C[C@@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 9594645 LKVYEBGBJBPDNH-SNVBAGLBSA-N 426.527 3.630 0 40 IHAB Cc1ccc(N2C(=O)CC[C@@H](C(=O)OCC(=O)NCC(C)C)[C@H]2c2cccs2)cc1 9603086 DLCQAZMDBKNTND-GCJKJVERSA-N 428.554 3.856 0 40 IHAB O=C(Cc1csc(NC(=O)c2ccc3c(c2)OCO3)n1)NCCc1ccc(Cl)cc1 9659346 XQPDCXPCLPAWIH-UHFFFAOYSA-N 443.912 3.679 0 40 IHAB CC(=O)c1cccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)c1 9702699 IGVOFCDZFQFYTM-UHFFFAOYSA-N 448.475 3.613 0 40 IHAB COc1cccc(NC(=O)CSc2nccn(-c3ccc(Br)cc3)c2=O)c1 9761491 WOURPVFBRDHCLN-UHFFFAOYSA-N 446.326 3.734 0 40 IHAB Cc1nc(Cc2nnc(S[C@@H](C)C(=O)N3c4ccccc4NC(=O)C3(C)C)o2)cs1 9788802 VHWJEHGAZCRHMV-NSHDSACASA-N 443.554 3.670 0 40 IHAB CS(=O)(=O)n1nc(NCc2ccccc2Cl)nc1NCc1ccccc1Cl 9948600 LQBDQDBHYSSXMV-UHFFFAOYSA-N 426.329 3.617 0 40 IHAB Cc1ccc(-c2ccc(N3CCN(S(=O)(=O)c4cc(F)ccc4F)CC3)nn2)c(C)c1 11695370 GULBUAJLTWNVPF-UHFFFAOYSA-N 444.507 3.550 0 40 IHAB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2C[C@@H](N3CCOCC3)C[C@@H](c3ccccc3)N12 12603088 NBBWHPWQXANBEL-IODBPXAYSA-N 445.563 3.845 0 40 IHAB biogenic,in-vitro O=S(=O)(Nc1ccccc1)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)cc1 12604679 XNHDWAHKPNHDPX-UHFFFAOYSA-N 442.440 3.706 0 40 IHAB Cc1nc(COc2ccccc2C(=O)N(C)CC(=O)Nc2cccc3ccccc23)no1 12819630 RWRFKHGMFGQCTK-UHFFFAOYSA-N 430.464 3.821 0 40 IHAB O=C(NC1CCCC1)[C@H](c1cccnc1)N(Cc1ccc(F)cc1)C(=O)c1csnn1 12872141 KGDHFLMHKSMFFP-FQEVSTJZSA-N 439.516 3.515 0 40 IHAB CC(C)COCCCNS(=O)(=O)c1cc(Br)ccc1Br 12917132 UAFPXHZTTMLDBT-UHFFFAOYSA-N 429.174 3.553 0 40 IHAB Cc1ccc2nc(C)c(C(=O)N3CCN(S(=O)(=O)c4ccccc4Cl)CC3)cc2c1 12996815 ZDPKLQISFLFHLJ-UHFFFAOYSA-N 443.956 3.652 0 40 IHAB CCc1ccccc1NC(=O)Cc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1C 13955938 ZGUIZDWMAWATFO-MRXNPFEDSA-N 437.569 3.528 0 40 IHAB Cc1sc2nc([C@H](C)N3CCC(C(=O)Nc4ccccc4O)CC3)[nH]c(=O)c2c1C 15507439 ZMXXJYJLKPUUJJ-ZDUSSCGKSA-N 426.542 3.719 0 40 IHAB COc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2ccccc2F)ccc1C 15976818 BAFANRYZTBEHJY-UHFFFAOYSA-N 428.485 3.874 0 40 IHAB COC(=O)c1ccc(N2CCOCC2)c(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1 16322620 PKQBYUJQHJQCLS-UHFFFAOYSA-N 432.904 3.759 0 40 IHAB O=C(C1CCCCC1)N1CCc2nc([C@H]3CCCCN3C(=O)C3CCC3)nc(O)c2C1 19014699 PFHJKBJBDQCERM-HXUWFJFHSA-N 426.561 3.501 0 40 IHAB C[C@@H](C(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CCN(C2CCCCC2)C3)C1)c1ccccc1 19459018 DSVBFHRNFXXDHL-UYAOXDASSA-N 434.584 3.580 0 40 IHAB CCCN1CCN(C(=O)c2cn(C)cn2)C[C@H](Cc2cccc(-c3cccc(C)c3)c2)C1=O 19502958 LHUKTUAOICZGKC-DEOSSOPVSA-N 444.579 3.949 0 40 IHAB COc1ccccc1OCC(=O)N1CCNC(=O)[C@@H](Cc2ccccc2-c2ccccc2)C1 19571429 MKDLPTYMHQDGHF-QFIPXVFZSA-N 444.531 3.558 0 40 IHAB CNC(=O)c1sc2ncccc2c1[C@@H]1CCN(C(=O)c2cc(Cl)ccc2OC)C1 19702118 RISRMBYYEPHYJS-GFCCVEGCSA-N 429.929 3.948 0 40 IHAB COc1ccc2[nH]cc(C(=O)N3CCC[C@H]3c3nc(C)c4c(n3)N(CC(C)C)C(=O)C4)c2c1 19744254 LFAZEQSZUIGSQP-NRFANRHFSA-N 447.539 3.797 0 40 IHAB CCOc1ccc(CCC(=O)N2CCO[C@@H](c3cc(C(=O)NC)c4ccccc4n3)C2)cc1 19762477 NVOQOWPHOZXBRE-XMMPIXPASA-N 447.535 3.526 0 40 IHAB COCc1cc(C)nc2c1C(=O)N[C@H](c1ccc(NC(C)=O)cc1)N2Cc1ccccc1 19932513 FVQHSUXRLZYNTR-QHCPKHFHSA-N 430.508 3.944 0 40 IHAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 20460244 NVLNOCKZLIMUHV-IBGZPJMESA-N 439.002 3.744 0 40 IHAB Cc1nc2sccn2c1-c1nnc(SCC(=O)NCc2ccccc2Cl)n1C 23141463 FLEYIDYGKJSZIC-UHFFFAOYSA-N 432.962 3.562 0 40 IHAB COc1ccc(OC)c([C@H]2CCCN2C(=O)CSc2nnc(-c3ccco3)n2C)c1 27371171 BKGDCIZIRIGTJD-MRXNPFEDSA-N 428.514 3.548 0 40 IHAB Cc1ccc(-c2nc(CN3CCN(S(=O)(=O)c4ccccc4F)CC3)co2)c(C)c1 29960671 LBKCLXBXZSJYQA-UHFFFAOYSA-N 429.517 3.604 0 40 IHAB CC(=O)Nc1cccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)c1 31082432 LSORGLKLYQBONG-UHFFFAOYSA-N 437.521 3.787 0 40 IHAB COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 31778489 FPFMHFADPUCYMP-SFHVURJKSA-N 425.287 3.805 0 40 IHAB COc1ccc(OC)c(N2C(SCc3ccc(C)c(C)c3)=N[C@H]3CS(=O)(=O)C[C@H]32)c1 32641081 LZEJGOPQVWPHPR-AZUAARDMSA-N 446.594 3.596 0 40 IHAB Cc1nc(-c2ccccc2)ccc1C(=O)O[C@H](C)C(=O)c1ccc(NS(C)(=O)=O)cc1 32842843 NIZQQPDDXXMLTC-MRXNPFEDSA-N 438.505 3.857 0 40 IHAB CCC[C@@H](C)NC(=O)CCc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1CCC 36253459 ANCAZYIHVIMQSR-QGZVFWFLSA-N 436.622 3.714 0 40 IHAB CC(=O)c1ccc(N2CCN(c3ncnc4c3cnn4-c3cccc(Cl)c3)CC2)cc1 40227543 UUQFBLIJIJJSGM-UHFFFAOYSA-N 432.915 3.998 0 40 IHAB CN(C(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1)C1CCCC1 44899664 UVIHOTUAFURVEL-UHFFFAOYSA-N 433.401 3.936 0 40 IHAB CC[C@H](Cn1nnc2ccccc2c1=O)NC(=O)C1(c2ccc(OC)cc2)CCCCC1 57730952 LTVHFVCUHCHWMA-LJQANCHMSA-N 434.540 3.597 0 40 IHAB O=C(NCc1ccc(Cl)cc1)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 64985321 RESUASPGEFCEJW-NRFANRHFSA-N 442.924 3.613 0 40 IHAB CC[C@H](C)NC(=O)C1CCN(C(=O)Nc2ccc(NC(=O)NC3CCCC3)cc2)CC1 65315428 JJPUKCOSLWGPSK-INIZCTEOSA-N 429.565 3.909 0 40 IHAB COc1cccc(-c2nccnc2[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c1 72358689 TUJCVFBDEZHUAD-QGZVFWFLSA-N 427.501 3.860 0 40 IHAB COCCC(=O)N1CCC(c2nc(C)c3c(n2)N(Cc2ccc(F)cc2)CCC3)CC1 72373858 XFAADZAHHWHQMN-UHFFFAOYSA-N 426.536 3.619 0 40 IHAB CCOc1ccc(CN2CCC[C@@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)cc1OC 72394290 ITLMMXBQJXKKCC-MRXNPFEDSA-N 438.977 3.925 0 40 IHAB CCOc1ncc([C@@]2(O)CC[C@@H]3CN(Cc4cccc5ncccc45)C[C@@H]32)c(OCC)n1 72395418 FWVATIVXCPLRIQ-QLWBXOBMSA-N 434.540 3.552 0 40 IHAB CCOC(=O)c1csc(NC(=O)c2cn(-c3ccccc3OC)c(=O)c3ccccc23)n1 79476215 AVJQOOQEAGXTEN-UHFFFAOYSA-N 449.488 3.885 0 40 IHAB CC(C)(C)[C@@H](NC(=O)CCc1ccc(OC(F)(F)F)cc1)c1nc(-c2nc[nH]n2)no1 89642941 HLPZZKHEKVUEMK-AWEZNQCLSA-N 438.410 3.590 0 40 IHAB COc1ccc(CN2CCCN(Cc3cc(OC)c(O)cc3Br)CC2)cc1 95453788 CJURILNEKWSWNK-UHFFFAOYSA-N 435.362 3.880 0 40 IHAB COc1ccc2cc(C3N4CC5(C)CN3CC(C)(C4)C5)c(I)nc2c1 95476311 ZFIFGRQCIVUJOW-UHFFFAOYSA-N 449.336 3.894 0 40 IHAB C[C@@H]1CC[C@H]2C(=O)N(c3ccc(OC(=O)[C@@H]4CC(=O)N(c5ccccc5)C4)cc3)C(=O)[C@@H]2C1 95483130 AZDCWFCABWWOPR-XWOARTFESA-N 446.503 3.571 0 40 IHAB Cc1noc(C)c1CN1CCC2(CC1)COc1ccccc1S(=O)(=O)N(CC(C)C)C2 96145154 DBMCKLYGXLRRNR-UHFFFAOYSA-N 447.601 3.613 0 40 IHAB CC(C)N1CCc2c(nc3cc([C@@H]4CCCCN4C(=O)c4cccs4)nn3c2O)C1 100234030 DJUZJJNSPOIXKU-SFHVURJKSA-N 425.558 3.630 0 40 IHAB Cc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@H]6C[C@H]56)[C@@H]4C3=O)c2)cc1 100831735 ZFYFWFHQNNBOBA-XPUPLBFISA-N 441.483 3.592 0 40 IHAB Cc1sc(NC(=O)[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)c(C(N)=O)c1-c1ccc(C(C)C)cc1 101943755 UEFMHVVECHMYPR-LAQRGFTBSA-N 442.537 3.763 0 40 IHAB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)[C@@H](O)[C@@H](O)C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 102864761 HSENALUPARAQJF-FUSWZUCDSA-N 426.594 3.716 0 40 IHAB CC(C)Oc1cccc(CNC(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)c1 113956392 KXPCDGWIKLYJAK-UHFFFAOYSA-N 438.977 3.990 0 40 IHAB COC(=O)c1cccc(NC(=O)CSc2nnc(COc3cc(C)cc(C)c3)o2)c1 216033886 IIVJPXGICJAKIQ-UHFFFAOYSA-N 427.482 3.783 0 40 IHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1cc(N(C)S(C)(=O)=O)ccc1Cl 222495659 QBDFVCKSWFQMEC-ZDUSSCGKSA-N 437.949 3.516 0 40 IHAB CCC(=O)N(Cc1ccc(OC)cc1)[C@H](Cc1ccccc1)C(=O)NCCCOC(C)C 223265355 JTZDRZUOOZNMRS-XMMPIXPASA-N 440.584 3.976 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)Cc2ncc(C(=O)Nc3ccccc3Cl)cn2)cc1 223382473 XTTXGIZLVKEPFP-UHFFFAOYSA-N 430.917 3.511 0 40 IHAB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc[nH]2)cc1Cl 225233676 TWJHKKFYXAUANK-WOJBJXKFSA-N 441.944 3.825 0 40 IHAB C[C@@H]1CCCN(c2cc(Cl)nc(NC(=S)NCc3ccc4c(c3)OCCO4)n2)C1 226016059 ZBCDYOSNEBGBTM-CYBMUJFWSA-N 433.965 3.624 0 40 IHAB Cn1nc(C(C)(C)C)cc1C(=O)N1CCNC(=O)[C@H]1Cc1ccccc1-c1ccc(F)cc1 257203680 ARCCGEDOYXMHSF-OAQYLSRUSA-N 448.542 3.707 0 40 IHAB CC(C)(C)c1ccc(CN2CC[C@H](O)[C@@H](Oc3ccc(F)cc3)CC2)c(OCC(=O)O)c1 257240255 HSTNOUKPNXEWOV-VXKWHMMOSA-N 445.531 3.991 0 40 IHAB CCCNC(=O)Cc1c(C)nc([C@H]2CCCN(C(=O)[C@H](C)c3ccc(C)cc3)C2)nc1C 257256207 KKMIVVDQNRMJPB-GCJKJVERSA-N 436.600 3.980 0 40 IHAB Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCN2C(=O)c2cccc(-n3cnnc3)c2)n1 257279274 OFVUBQZWKAWNSC-HXUWFJFHSA-N 445.914 3.937 0 40 IHAB Cc1cccc(CCN(CC(=O)O)C(=O)[C@H]2CC[C@H](O)[C@@H](Nc3ccc(F)cc3)CC2)c1 257294510 QUMMYTQXKCLOCE-OIBXWCBGSA-N 442.531 3.622 0 40 IHAB Cc1ccc(N([C@@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)S(C)(=O)=O)cc1 260453249 HHRLHPZRYFPMJQ-PXNSSMCTSA-N 430.570 3.877 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(F)cc2)cc1 408663172 LSNIJYVJLLNFSM-UHFFFAOYSA-N 444.459 3.683 0 40 IHAB CC(C)CNC(=O)c1ccc(NC(=O)Cc2csc(NC(=O)C(C)C)n2)cc1Cl 515740219 VTLLPHMSUWNDEV-UHFFFAOYSA-N 436.965 3.958 0 40 IHAB O=C(CCc1ccc(O)cc1)NCC1CCC(CNC(=O)CCc2ccc(O)cc2)CC1 546209418 HKHFABFGLWUVQI-UHFFFAOYSA-N 438.568 3.702 0 40 IHAB Cc1cc(CNC(=O)c2ccc3c(c2)Cc2cccc(c2)C(=O)NCCCCCO3)n[nH]1 643577049 BBKUALSWQRFFEI-UHFFFAOYSA-N 432.524 3.531 0 40 IHAB COc1ccc(C(=O)[C@@H](NCCc2c[nH]c3ccccc23)c2oc(C)cc(=O)c2O)cc1 1547139676 XOUKFZUPGGGVGJ-JOCHJYFZSA-N 432.476 3.900 0 40 IHAB biogenic O=C(Cc1ccccc1F)N1CCC(c2n[nH]cc2C(=O)N2CCc3ccccc3C2)CC1 1848351740 ACNWSGBIBPFEKA-UHFFFAOYSA-N 446.526 3.696 0 40 IHAB O=C(Nc1ccc(N2CCOCC2)cc1)N[C@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 1470886 LQVJNBUCVDXXLF-LJQANCHMSA-N 443.809 3.986 0 40 IHAB CCOCCCNC(=O)c1c(N)n(-c2cccc(C(C)=O)c2)c2nc3ccccc3nc12 2448192 XEOJTGFKQHYNFT-UHFFFAOYSA-N 431.496 3.515 0 40 IHAB CCOC(=O)[C@H](C)Oc1cccc2c(=O)n(CC(=O)Nc3cccc(Cl)c3)ccc12 2712297 VJVMRAAHXZDJPN-AWEZNQCLSA-N 428.872 3.624 0 40 IHAB C[C@H](C(=O)N1CCCc2ccccc21)N(C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 3419671 UMIDHOZNHQVROB-OAHLLOKOSA-N 435.446 3.823 0 40 IHAB CCCCNC(=O)CSc1nnc2n(-c3ccc(CC)cc3)c(=O)c3ccccc3n12 3530616 DXSLOFRVUFTLAT-UHFFFAOYSA-N 435.553 3.604 0 40 IHAB COc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)c(OC)c1 3606821 JRPBDJSKTRDSKN-UHFFFAOYSA-N 438.505 3.708 0 40 IHAB Cc1cc(C)c2[nH]c(=O)c(CN(C[C@@H]3CCCO3)S(=O)(=O)c3ccc(F)cc3)cc2c1 6300397 PLJDWLDWLKRWAV-FQEVSTJZSA-N 444.528 3.654 0 40 IHAB CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cc(Br)c(O)c(OC)c1 8917296 OIIXVYQBYXKKJV-INIZCTEOSA-N 430.254 3.835 0 40 IHAB O=C(NC[C@@H]1CCCO1)c1cn(Cc2ccc(F)cc2)nc1OCc1ccc(F)cc1 9100985 HEOBGJJFJAQKJP-FQEVSTJZSA-N 427.451 3.697 0 40 IHAB COc1ccc(OCC(=O)Nc2ccc3c(c2)nc(CSc2nccc(C)n2)n3C)cc1 9421690 LNLFSWHKAVAWIP-UHFFFAOYSA-N 449.536 3.990 0 40 IHAB C[C@@H]1CN=C(N(C(=O)/C=C/c2cccs2)c2cccc(S(=O)(=O)N(C)C)c2)S1 9539824 KHFKKEAYRVGQSU-ATWMFIQVSA-N 435.596 3.536 0 40 IHAB Cc1ccc(NC(=O)CS[C@H](C)C(=O)OCC(=O)Nc2ccc3c(c2)CCC3)cc1 9634482 CSHXIUAZYRAKTK-MRXNPFEDSA-N 426.538 3.726 0 40 IHAB CC(C)(C)c1ccc(-c2nnc(SCc3nc(N)nc(N)n3)n2-c2ccccc2)cc1 9646342 ZUEFGQLOAFYOJS-UHFFFAOYSA-N 432.557 3.874 0 40 IHAB COc1ccc(C)cc1-n1c(SCC(=O)NC[C@H]2CCCO2)nnc1-c1cccs1 9793042 XZMDGPWHECILGJ-OAHLLOKOSA-N 444.582 3.700 0 40 IHAB COc1cc(OC)cc([C@@H](NS(=O)(=O)c2c(C)c(C)cc(C)c2C)c2nccn2C)c1 9883248 PDJGKZQZDBZPDY-OAQYLSRUSA-N 443.569 3.739 0 40 IHAB CCN(c1ccc(OCC(=O)NC(c2ccccc2)c2ccccc2)cc1)S(C)(=O)=O 10010059 YFOVQMQJZURJDF-UHFFFAOYSA-N 438.549 3.757 0 40 IHAB O=C(Nn1cnc2c(cnn2-c2ccccc2)c1=O)C1(c2ccc(Cl)cc2)CCCC1 10251316 YBTKHVINXPROIL-UHFFFAOYSA-N 433.899 3.818 0 40 IHAB CCCCn1c(=O)c(CCC(=O)O[C@H](C)C(=O)N2CCc3ccccc32)nc2ccccc21 11590050 KPUQXYTXXKAKRK-GOSISDBHSA-N 447.535 3.650 0 40 IHAB C[C@H](Sc1ncn(-c2ccccc2)n1)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 11941268 QCCCRICBZCHPEU-LBPRGKRZSA-N 447.442 3.752 0 40 IHAB Cc1ccc(-n2c(=O)c3oc4ccccc4c3n(CC(=O)NC3CCCCC3)c2=O)cc1 12140748 PPHOWYRLFSSSFV-UHFFFAOYSA-N 431.492 3.656 0 40 IHAB CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)C1=O 12567867 PTODHVNANMSVQG-QFIPXVFZSA-N 430.888 3.867 0 40 IHAB COc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)c2csnn2)c2cccc(F)c2)cc1 12637510 UHMDNBRLUPBOFQ-LJQANCHMSA-N 442.516 3.989 0 40 IHAB Cc1nn(CC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c(=O)c2ccccc12 12916036 RCXNWYNXDNDDFR-KRWDZBQOSA-N 440.503 3.835 0 40 IHAB 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COc1cccc(NC(=O)Nc2ccc(Cl)c(N3CCCS3(=O)=O)c2)c1OC 22506397 UOYXNBZOBBRBDJ-UHFFFAOYSA-N 425.894 3.541 0 40 IHAB CCOC(=O)c1oc2ccccc2c1COC(=O)[C@@H](C)N1C(=O)c2ccc(C)cc2C1=O 22520101 LCTAJNPQEVLOHJ-CQSZACIVSA-N 435.432 3.646 0 40 IHAB O=C(N[C@@H](CN1CCOCC1)c1ccccc1)c1cccc(NC(=O)c2cccs2)c1 23908634 YDVZRDUVXFFAFZ-NRFANRHFSA-N 435.549 3.804 0 40 IHAB C[C@H](OC(=O)C1CCN(C(=O)C(C)(C)C)CC1)C(=O)Nc1ccc(OC(F)(F)F)cc1 24280469 QILLBXFWTWQCIN-ZDUSSCGKSA-N 444.450 3.740 0 40 IHAB C[C@@H]1CCc2nc(NC(=O)c3sccc3S(=O)(=O)N3CCCCC3)sc2C1 24775942 QJRFIBFAFZRFFZ-GFCCVEGCSA-N 425.601 3.756 0 40 IHAB O=C(Cc1csc(-c2ccccc2Cl)n1)NCc1ccnc(N2CCOCC2)c1 25290642 AKSVDKQZRFOKNI-UHFFFAOYSA-N 428.945 3.554 0 40 IHAB O=C(NCCC(=O)N1CCC([C@@H](O)c2ccccc2)CC1)c1ccc(Br)cc1 29193607 ROQQLMFPLKTWCX-NRFANRHFSA-N 445.357 3.541 0 40 IHAB CC(C)C(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2cccc(Cl)c2)CC1 32127793 SJPCYOMMNVHZEF-UHFFFAOYSA-N 444.988 3.771 0 40 IHAB COc1ccc(C)cc1NC(=O)[C@@H](NC[C@H](C(C)C)N1CCOCC1)c1ccccc1 32900795 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Cc1ccc(NC(=O)c2cn(CC(=O)NCc3ccccc3)c3nc(C)ccc3c2=O)cc1 49002041 ONYOWWLTDSYFGR-UHFFFAOYSA-N 440.503 3.582 0 40 IHAB COc1ccc(NC(=O)CN2CCc3[nH]c4c(C)cc(C)cc4c(=O)c3C2)cc1Cl 49003218 SBWYWXBBXVFBQK-UHFFFAOYSA-N 425.916 3.804 0 40 IHAB Cc1cc(C)cc(Oc2nccn3c(=O)n(CC(=O)Nc4ccc(Cl)cc4F)nc23)c1 49008673 ZNYUJDDFWVBFMJ-UHFFFAOYSA-N 441.850 3.731 0 40 IHAB Cc1ccc(N2CN(CC(=O)Nc3ccc(C)cc3C)S(=O)(=O)c3cccnc32)cc1 49411441 YADKLCZUQXCEAD-UHFFFAOYSA-N 436.537 3.745 0 40 IHAB COC(=O)Cn1c2c(sc1=O)[C@H](c1ccccc1Cl)CC(=O)N2c1ccccc1 49550167 FRAMHQZMYCGLGZ-HNNXBMFYSA-N 428.897 3.937 0 40 IHAB CC(=O)Nc1ccc2c(CN3C(=O)c4cc(Cl)c(Cl)cc4C3=O)cc(=O)oc2c1 49579239 ZWIGIIXAKTZDQX-UHFFFAOYSA-N 431.231 3.854 0 40 IHAB COc1ccc([C@@H]2CC(=O)Nc3c(C(=O)O)cn(-c4cc(F)cc(F)c4)c32)c(OC)c1 61720532 XWSDPWBSRAFJCX-INIZCTEOSA-N 428.391 3.945 0 40 IHAB O=C(O)[C@H]1CC(=O)N(c2ccc3nc(-c4ccc(I)cc4)oc3c2)C1 70461346 QMMBGIALWQSAFU-NSHDSACASA-N 448.216 3.537 0 40 IHAB Cc1c(Cl)cccc1S(=O)(=O)N1CCc2nc(NC(=O)c3ccco3)sc2C1 70638612 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IHAB O=C(c1cncc(Br)c1)N1CCC(COc2cc(C3CCC3)ncn2)CC1 1776000627 BNJKTMLATNTPIW-UHFFFAOYSA-N 431.334 3.833 0 40 IHAB COc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)Nc3nc(N4C(=O)CCC4=O)nn32)cc1 2390932 UXLUMINOBNLPDQ-QZTJIDSGSA-N 437.887 3.740 0 40 IHAB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc2c(c1)NC(=O)CS2 3328332 PHYHGPIRVCOKNH-UHFFFAOYSA-N 437.443 3.639 0 40 IHAB CC(=O)c1ccc(N(CC(=O)NCc2cccs2)S(=O)(=O)c2ccc(C)cc2)cc1 3448476 UMCOQMBEONINDE-UHFFFAOYSA-N 442.562 3.771 0 40 IHAB Cc1ccc(C)c(C(=O)COC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)c1 3517367 PFFFJBLBQNDURI-UHFFFAOYSA-N 434.469 3.720 0 40 IHAB O=C(COC(=O)c1cc(Br)ccc1Cl)Nc1ccc2c(c1)OCCO2 8776957 ARMVZEGWYNWXDR-UHFFFAOYSA-N 426.650 3.669 0 40 IHAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc1 9011230 AAUDELCLIATAHQ-OAHLLOKOSA-N 432.432 3.568 0 40 IHAB O=C(COC(=O)CCC(=O)Nc1ccccc1O)Nc1ccc(Cl)c(C(F)(F)F)c1 9317437 KJDRNYKAXZSMLA-UHFFFAOYSA-N 444.793 3.965 0 40 IHAB COc1ccc(N2C[C@@H](c3nc(-c4cccc(OC)c4OC)no3)CC2=O)cc1Cl 9318498 HDTCEFIMAZPXBF-LBPRGKRZSA-N 429.860 3.936 0 40 IHAB COc1cccc2sc(NC(=O)[C@H](CCSC)NC(=O)COc3ccccc3)nc12 9366305 YNPHWRLBOUBBRE-HNNXBMFYSA-N 445.566 3.560 0 40 IHAB CCOc1ccc(C(=O)Nc2c3c(nn2-c2ccccc2C)C[S@](=O)C3)cc1OCC 9413343 FKVWPEXBNCXKBB-HKBQPEDESA-N 439.537 3.993 0 40 IHAB CCCCCCOc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)OCCOC)cc1OC 9441010 SVIGEQWYUFYWRL-HXUWFJFHSA-N 436.574 3.637 0 40 IHAB O=C(c1ccccc1Cc1ccccc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 9465598 MIDPWVZTPRKMOS-UHFFFAOYSA-N 438.524 3.563 0 40 IHAB CC(=O)N1CCc2c(sc(NC(=O)c3ccccc3Oc3ccccc3)c2C(N)=O)C1 9639477 WGPZFNMNSCCRRE-UHFFFAOYSA-N 435.505 3.796 0 40 IHAB C[C@@H](Sc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2o1)C(=O)NC1CCCC1 9669927 NMANFNOUMGGZOY-CQSZACIVSA-N 437.587 3.542 0 40 IHAB COc1ccc(CCNC(=O)COC(=O)/C=C/c2cccc(C(F)(F)F)c2)cc1OC 9670890 LNXMIDJIJQZRIK-VQHVLOKHSA-N 437.414 3.638 0 40 IHAB CCS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccc(OC)cc3OC)cs2)c1 9707730 PWFKOTMEGJYEGG-UHFFFAOYSA-N 432.523 3.873 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCc3ccc(NC(=O)C(=O)Nc4ccccc4)cc32)cc1 9739178 RIBOAQKHLUEICE-UHFFFAOYSA-N 449.532 3.714 0 40 IHAB C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1cccc2ccccc12 10041115 JNROOFHNKTZUJV-CYBMUJFWSA-N 433.327 3.908 0 40 IHAB CN(C1CCCC1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccccc3)o2)cc1 10220649 BNXOAQJNOIMHPO-UHFFFAOYSA-N 426.498 3.552 0 40 IHAB CCOC(=O)c1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)c1 10441590 JBYFFYCQVGZWLI-UHFFFAOYSA-N 436.917 3.554 0 40 IHAB CCn1ncc2c(C(=O)OCC(=O)Nc3cccc(OC)c3)cc(-c3cccs3)nc21 11301102 TZLNZFMQXSYYIK-UHFFFAOYSA-N 436.493 3.984 0 40 IHAB CC(C)c1ccc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)sc2c1 12080574 TUZDXMKMKWGDHN-UHFFFAOYSA-N 445.566 3.693 0 40 IHAB Cn1ccnc1-c1cnc(N2CCN(C(=O)c3ccco3)CC2)nc1-c1ccc(Cl)cc1 12143417 NYNFRBYZVBGNAN-UHFFFAOYSA-N 448.914 3.753 0 40 IHAB c1ccc(CN2CCO[C@H](CSc3nnc(CN4CCCC4)n3-c3ccccc3)C2)cc1 12512774 ZFYLMEGZRWUSRM-QHCPKHFHSA-N 449.624 3.856 0 40 IHAB CN1CCN(c2ccc(NC(=O)COc3ccc(Br)cc3Cl)cc2)CC1 12527209 UUUOIALHSCIKPE-UHFFFAOYSA-N 438.753 3.872 0 40 IHAB O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2oc(=S)n(CN3CCOCC3)c2c1 12557463 TYDCYHOPYDMFFK-UHFFFAOYSA-N 439.946 3.708 0 40 IHAB COc1cc([C@H]2Nc3ccccc3C(=O)N2C2CC2)cc(I)c1O 12608716 QJZZIIGECCIQMI-KRWDZBQOSA-N 436.249 3.734 0 40 IHAB O=S(=O)(c1ccc(Cl)cc1)N1CCN(Cc2ncc(-c3ccc(F)cc3)o2)CC1 12791259 QTWKDJPCHHWXQX-UHFFFAOYSA-N 435.908 3.641 0 40 IHAB CSc1ncc(Cl)c(C(=O)Nc2nc(-c3ccc(CCNC(C)=O)cc3)cs2)n1 12867330 ZVYCTPUWKIJVCO-UHFFFAOYSA-N 447.973 3.906 0 40 IHAB CCc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccc4c(c3)OCO4)c3ccccc32)cc1 12868627 FRXHDQLFTLSUIC-SANMLTNESA-N 429.472 3.985 0 40 IHAB COc1ccc(CCNC(=O)COc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)cc1 12896002 LYMJVIMOLVYVFB-UHFFFAOYSA-N 445.471 3.912 0 40 IHAB biogenic C[C@H](CCc1ccccc1)NC(=O)CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O 12898463 QNSNYWIKUKERGB-JPYJTQIMSA-N 446.551 3.549 0 40 IHAB biogenic Cc1ccc(-n2nc(C)c(NC(=O)CN(C)S(=O)(=O)c3ccc(C)c(C)c3)c2C)cc1 13005574 ISKIRNWFGXZPBN-UHFFFAOYSA-N 440.569 3.674 0 40 IHAB COc1ccc(-n2c(SCC(=O)Nc3nnc(C)s3)nnc2-c2ccoc2C)cc1 13512403 SVOKAMAFYLSNBP-UHFFFAOYSA-N 442.526 3.735 0 40 IHAB COc1ccccc1NC(=O)COc1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 13585141 OZFYDTBLIUVMSQ-UHFFFAOYSA-N 440.521 3.846 0 40 IHAB CCc1nnc2sc(-c3ccc(CNC(=O)COc4ccccc4Cl)cc3)nn12 13954785 MFFLYIACMVCFOU-UHFFFAOYSA-N 427.917 3.764 0 40 IHAB O=C(CCN1C(=O)CSc2ccccc21)NCc1cc(Cl)c2c(c1)OCCCO2 14077286 NSICDZOTUVPGEZ-UHFFFAOYSA-N 432.929 3.647 0 40 IHAB O=C(NCC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)c1ccc(-c2ccccc2)cc1 14229871 GCAJBKFGAKRXHY-UHFFFAOYSA-N 447.579 3.725 0 40 IHAB C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl)c1ccccc1 16024150 JNFFSAUOOSKJIN-ZDUSSCGKSA-N 443.352 3.505 0 40 IHAB CCOC(=O)C1CCN([C@@H](c2cccc(C)c2)c2sc3nc(CC)nn3c2O)CC1 16690084 PROBWPJLHIIKBT-SFHVURJKSA-N 428.558 3.732 0 40 IHAB CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CN(C)Cc2ccc(C(F)(F)F)cc2)C1=O 16842492 OBXBZRCFTHOVJT-NRFANRHFSA-N 435.446 3.961 0 40 IHAB Cc1nn(C(C)C)c2nc(C3CC3)cc(C(=O)N3CCN(C(=O)c4cccs4)CC3)c12 17101586 IEMSRFFKZKNUDN-UHFFFAOYSA-N 437.569 3.858 0 40 IHAB CC(C)(C)c1cc2n(n1)[C@@H](C(F)F)C[C@@H](C1CCN(C(=O)COc3cccnc3)CC1)N2 19084165 LEFVONQLGLACSA-ZWKOTPCHSA-N 447.530 3.884 0 40 IHAB COc1ccc(CN2CCN(c3c(F)cccc3[C@@H](O)c3ccccn3)CC2)c(OC)c1 19552421 OPYVJHHCTQZDRA-RUZDIDTESA-N 437.515 3.642 0 40 IHAB CN(C)C(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)[C@H]2CCCCO2)C1 19579818 OLTPGVCYQJFRKS-ZJSXRUAMSA-N 426.582 3.834 0 40 IHAB Cc1nc(C)n(CCC(=O)N2CCC[C@H](c3ccc(Cc4c(F)cccc4F)cn3)C2)n1 19690327 VYTBRBPSLUKYNO-IBGZPJMESA-N 439.510 3.955 0 40 IHAB NC(=O)c1ccc(-c2ccc([C@H]3CN(C(=O)CCCc4ccc(F)cc4)CCO3)nc2)cc1 19693601 ONFQEDMZHLVOTO-XMMPIXPASA-N 447.510 3.909 0 40 IHAB COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCN(C(=O)c3ccccc3OC)C2)c1 19694714 IUSBXQCYROVGQI-SFHVURJKSA-N 432.524 3.857 0 40 IHAB Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(F)cc2)c(C)c1 20007739 RLVUHBCWWFITOO-QFIPXVFZSA-N 426.513 3.971 0 40 IHAB CCC(C)(C)n1nnnc1[C@@H](c1ccccc1OC)N1CCN(C2CCCCC2)CC1 20140073 RZGFCIXNRWMHQZ-JOCHJYFZSA-N 426.609 3.867 0 40 IHAB CCOc1ccc(C(=O)NC(=S)Nc2ccc(CC(=O)O)cc2)cc1Br 20152974 ORQZSSDGJUGZJQ-UHFFFAOYSA-N 437.315 3.602 0 40 IHAB CC(=O)N[C@H](CC(=O)Nc1ccnn1Cc1ccc(Br)cc1)c1cccs1 21465172 XVJIMNMQKVNPID-MRXNPFEDSA-N 447.358 3.961 0 40 IHAB O=C(COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1cccc(F)c1 23295579 HGADNDOLAKHRCV-UHFFFAOYSA-N 425.382 3.638 0 40 IHAB O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1ccc(CS(=O)(=O)c2ccccc2)o1 23738021 CZRUYRLRYKJVFL-QFIPXVFZSA-N 438.549 3.820 0 40 IHAB Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)NCC1(N2CCOCC2)CCCCC1 23805376 SQQZOIXKYDRGTJ-UHFFFAOYSA-N 441.620 3.713 0 40 IHAB Cn1ccnc1[C@H](NC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1 24538310 ZOHJVYSTQXWYRC-SJLPKXTDSA-N 432.952 3.926 0 40 IHAB C[C@H](NC(=O)CNC(=O)c1ccccc1I)c1ccc(Cl)cc1 24979890 LFRFHNLPXYDPMI-NSHDSACASA-N 442.684 3.552 0 40 IHAB O=C(Nc1ccc(F)cc1)[C@@H]1Sc2nc(O)sc2[C@H]2c3ccccc3OC(=O)[C@H]12 28295055 OTQVZPBQAZFKFV-SOUVJXGZSA-N 428.466 3.768 0 40 IHAB CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccc2c(c1)OCCCO2 33087528 SJNITWBHQDECJU-UHFFFAOYSA-N 428.489 3.996 0 40 IHAB Cc1sc2nc(CN3CCOCC3)nc(N(C)CCN(C)C3CCCCC3)c2c1C 48311624 PTDQITSREBVAED-UHFFFAOYSA-N 431.650 3.841 0 40 IHAB Cc1cc(-n2c(C)cc(C(=O)OCC(=O)N(Cc3ccccc3F)C3CC3)c2C)no1 49574867 CNGQHCKCUSIMRP-UHFFFAOYSA-N 425.460 3.878 0 40 IHAB O=C(NC[C@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1)c1ccc(F)c(F)c1 56945632 UDGRRNVKVGSNTO-OAQYLSRUSA-N 429.442 3.990 0 40 IHAB CN(C(=O)Cn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2sccc21)C1CCCCC1 57491851 PFRGVPIXBKIBIH-UHFFFAOYSA-N 431.945 3.658 0 40 IHAB CCOC(=O)[C@H](CNC(=O)NCc1ccc(NC(=O)C(C)C)cc1)Cc1ccccc1 58438222 LPSNALVBDRDNLI-FQEVSTJZSA-N 425.529 3.502 0 40 IHAB NS(=O)(=O)c1ccc(CCNC(=O)c2cc(-c3ccccc3)nc3cc(F)ccc23)cc1 64672275 HZRMJQKNSSPEHU-UHFFFAOYSA-N 449.507 3.661 0 40 IHAB CC(=O)N1CCO[C@@H](c2c(C(=O)N3CCN(c4ccccc4)CC3)sc3ccccc23)C1 72356265 XUOMUDLJAGHUDL-OAQYLSRUSA-N 449.576 3.784 0 40 IHAB CC[C@H]1Oc2ccc(C(=O)c3ccco3)cc2N(CC(=O)Nc2cc(OC)ccc2C)C1=O 72396667 RAFOCXIXNKLKAA-HXUWFJFHSA-N 448.475 3.970 0 40 IHAB Cc1ccccc1-c1ccc(N2CCC[C@@H](C(=O)Nc3cc(N4CCCC4)ncn3)C2)nn1 90592329 WSGBUEPZEWAROT-LJQANCHMSA-N 443.555 3.697 0 40 IHAB CC(C)n1ncc2c(C(=O)NCc3ccc(-c4nnn[nH]4)cc3)cc(-c3ccccc3)nc21 95389750 VNZWCGWQGRAVTO-UHFFFAOYSA-N 438.495 3.789 0 40 IHAB CNC(=O)c1sc2ncccc2c1[C@H]1CC[C@H](CNC(=O)c2cnc(C)nc2C)CC1 100688340 VCLKHORYIIPVAS-IYBDPMFKSA-N 437.569 3.767 0 40 IHAB CCOC(=O)[C@@H](C(=O)CSc1nncn1-c1cccc(Cl)c1)c1nc(C)cs1 103034938 DMTYLTZTWHQVNU-HNNXBMFYSA-N 436.946 3.694 0 40 IHAB C[C@H](NC(=O)CSc1nc2ncccc2c(=O)n1-c1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2 104677803 RSDYBMOSBIIIHW-OGNFBWPZSA-N 434.565 3.814 0 40 IHAB CC(C)(C)OC(=O)N[C@]1(CN)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 218633935 OFWVXHUKENCCBU-WFXMLNOXSA-N 436.961 3.502 0 40 IHAB COC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccccc2)ccc1C 223799704 OYJSVRIBMULXRS-UHFFFAOYSA-N 438.505 3.512 0 40 IHAB COc1cccc(CN(C(=O)COc2ccc(F)cc2)[C@H](C)C(=O)NC2CCCC2)c1 224043422 VQFRJBPZJRPWOM-QGZVFWFLSA-N 428.504 3.689 0 40 IHAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CCCN(c1ccccc1F)S(C)(=O)=O 225383853 QPIYPAWIRZAWGB-MRXNPFEDSA-N 449.548 3.539 0 40 IHAB O=C1CC2(CCN(S(=O)(=O)Cc3ccccc3)CC2)Oc2cc3c(cc21)CCCC3 225826196 CGPAFSKBUYKSSL-UHFFFAOYSA-N 425.550 3.895 0 40 IHAB CCOc1ccc(-c2noc(CNC(=S)Nc3cccc(C(=O)OC)c3C)n2)cc1 225831627 MAQSPPHJRQYFRB-UHFFFAOYSA-N 426.498 3.717 0 40 IHAB COc1cccc(O[C@H]2CCN(C(=O)c3cc(-c4ccccc4F)no3)CC[C@@H]2O)c1 257231031 GEYAHGDEUAZPIO-SFTDATJTSA-N 426.444 3.534 0 40 IHAB COc1ccc(Cl)cc1C(=O)N1CCN(C)C(=O)[C@H]1Cc1cccc(-c2ccncc2)c1 257262551 LLWVJTFUAZFYFV-JOCHJYFZSA-N 449.938 3.936 0 40 IHAB Cc1nc2ccc(C(=O)N3CCO[C@H](c4cccc(Nc5nncs5)n4)C3)cc2s1 257328051 XDXGLPFLQFTSJE-INIZCTEOSA-N 438.538 3.809 0 40 IHAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)N(C)Cc3ccccc3F)C2)c(C)c1 260731249 DRDALULYGZSAQY-FQEVSTJZSA-N 432.561 3.810 0 40 IHAB Cc1nc2c(n1C(C)C)CN(Cc1cnn(C(C)C)c1)CC21CCN(c2ncccn2)CC1 306133785 MWBVOGPLTULDCH-UHFFFAOYSA-N 448.619 3.894 0 40 IHAB COc1ccc2ccccc2c1CN1CCOC[C@]2(CC[C@H](CNc3ncccn3)O2)C1 306137410 QVOHVFCEAMQSRR-NLFFAJNJSA-N 434.540 3.501 0 40 IHAB CCCOc1c(Br)cc(Br)cc1C=C(C(=O)OC)C(=O)OC 320034120 BXOYCXMDJOMCOZ-UHFFFAOYSA-N 436.096 3.730 0 40 IHAB Cc1ccccc1N1C[C@@H](C(=O)Oc2cccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)c2)CC1=O 408649741 AFCKYNLBFCIPBR-DZFGPLHGSA-N 446.503 3.633 0 40 IHAB Cc1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1OCC(=O)NCCc1ccccc1 408678553 SPRZWGWSGLLOIN-UHFFFAOYSA-N 442.512 3.673 0 40 IHAB O=S(=O)(NC1CCN(c2nc(C(F)(F)F)nc3ccccc23)CC1)c1cccs1 1559063965 UEMHXDGRDAGBPC-UHFFFAOYSA-N 442.488 3.657 0 40 IHAB CCCN1CCN(C(=O)c2ncc[nH]2)C[C@@H](Cc2ccc(-c3cccc(C)c3)cc2)C1=O 1848354144 RQBFJENWNTUZKM-HSZRJFAPSA-N 430.552 3.938 0 40 IHAB CCN(C(=O)c1c[nH]nc1C1CCC(CNC(=O)c2cnccn2)CC1)c1ccccc1 2037834467 HCKSSHCUWLMVEH-UHFFFAOYSA-N 432.528 3.570 0 40 IHAB O=C(COc1ccc2cc(Br)ccc2c1Br)N1CCOCC1 674817 KBMBASSIYHYYFE-UHFFFAOYSA-N 429.108 3.602 0 40 IHAB O=C(CSc1nnc(-c2ccncc2)n1C[C@@H]1CCCO1)Nc1cccc(Cl)c1 915380 FRKDHMHHPPJIPQ-KRWDZBQOSA-N 429.933 3.903 0 40 IHAB CCOC(Cn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2c3c(sc21)CCC3)OCC 2395572 DZEQQUXIIAFKRG-UHFFFAOYSA-N 434.945 3.755 0 40 IHAB CC(=O)Nc1sc2c(c1C(=O)O[C@H](C)C(=O)Nc1cccc(C(C)=O)c1)CCCC2 2632473 XAJUJRKBAFVOOU-CYBMUJFWSA-N 428.510 3.972 0 40 IHAB CCOC(=O)c1c(NC(=S)NC(=O)c2nn(C)cc2Cl)sc2c1CC[C@@H](C)C2 2779333 WMMNTQZWOBSPNN-SECBINFHSA-N 440.978 3.563 0 40 IHAB COc1cc2c(cc1OC)CN(Cc1cc(=O)n3c(-c4ccccc4)csc3n1)CC2 3291422 VFRDXCBWVINWGI-UHFFFAOYSA-N 433.533 3.999 0 40 IHAB COc1cc2c(cc1OC)CN(C(=O)COc1ccc3c4c(c(=O)oc3c1C)CCC4)CC2 8765204 VKEAOWZHSKPVLJ-UHFFFAOYSA-N 449.503 3.571 0 40 IHAB biogenic CCNC(=O)NC(=O)[C@H](Sc1nnc2c3ccccc3n(CC)c2n1)c1ccccc1 8780135 YMYTYNUIVGLGJZ-GOSISDBHSA-N 434.525 3.679 0 40 IHAB COc1ccc(CNC(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@H]3c4ccccc4C(=O)N23)cc1 8790891 AGCUANIGFNRKHK-UKILVPOCSA-N 437.499 3.963 0 40 IHAB biogenic Cc1cc(C(=O)COC(=O)CNC(=O)C2CCCCC2)c(C)n1CCc1ccc(F)cc1 9048653 ZRFBVLKAPJMJSL-UHFFFAOYSA-N 442.531 3.909 0 40 IHAB Cc1cc(S(=O)(=O)NC[C@@H](c2ccccc2)S(=O)(=O)c2cccs2)ccc1F 9106835 KWKKHPBWHWQBFQ-SFHVURJKSA-N 439.555 3.689 0 40 IHAB CCCCn1c(CSc2nc(-c3ccccc3)n[nH]2)nc2cc(S(N)(=O)=O)ccc21 9200479 AUHHWZHRURGJFY-UHFFFAOYSA-N 442.570 3.561 0 40 IHAB CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1C(=O)NC1CC1 9283790 IOBPKMARSRUNKI-UHFFFAOYSA-N 435.553 3.512 0 40 IHAB CCOC(=O)c1nn(-c2ccccc2)c(=O)c2c(NC(=O)COc3ccccc3)scc12 9381349 SLGBRKHPGBCCPP-UHFFFAOYSA-N 449.488 3.641 0 40 IHAB COc1ccc(NC(=O)CCc2nc3ccccc3n(CCc3ccccc3)c2=O)cn1 9512948 JYJUKOCYZVWURU-UHFFFAOYSA-N 428.492 3.614 0 40 IHAB O=C(NCC(=O)N1CCC[C@H]1c1nc2ccccc2s1)c1ccc(Br)o1 9514953 JPRVLOBHWYMTRJ-LBPRGKRZSA-N 434.315 3.745 0 40 IHAB Cc1cccc(Cn2c(=O)c3c(nc4n3C[C@H](C)CN4c3cccc(Cl)c3)n(C)c2=O)c1 9519251 YZQHCFRFRNMVCQ-MRXNPFEDSA-N 449.942 3.695 0 40 IHAB Cc1cc(NC(=O)CSc2nnc(-c3ccncc3)n2[C@H]2CCc3ccccc32)no1 9530792 BWJDYCGTQQFUID-SFHVURJKSA-N 432.509 3.903 0 40 IHAB COc1ccc(-c2nc3scc(CCNC(=O)COc4ccc(Cl)cc4)n3n2)cc1 9568955 BZFNRFVLMBSIST-UHFFFAOYSA-N 442.928 3.858 0 40 IHAB CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)NCc1cccc(C(F)(F)F)c1 9612862 BOTQJYAYKSGUQZ-GOSISDBHSA-N 440.487 3.639 0 40 IHAB Cc1ccc(-c2nn(Cc3ccccc3)cc2/C=C/C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 9620718 LSNZHNYPSKWYMI-OTOIZHKDSA-N 449.576 3.566 0 40 IHAB COc1ccccc1-n1ccnc(SCC(=O)Nc2ccccc2C(F)(F)F)c1=O 9761464 ZMVNEPPHRFFINQ-UHFFFAOYSA-N 435.427 3.991 0 40 IHAB O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1cccc(Br)c1 9963100 HWACVUXVEULNDF-UHFFFAOYSA-N 443.388 3.615 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCCN3CCCCC3)c2C)cc1 10112047 WBTHRYOJOCEGBM-UHFFFAOYSA-N 429.586 3.710 0 40 IHAB Cc1nc(-c2ccc(CCNS(=O)(=O)c3ccc(N4CCCC4=O)cc3)cc2)cs1 10214827 YWUBHNXDIVPSRB-UHFFFAOYSA-N 441.578 3.766 0 40 IHAB CN(C)CCN(C(=O)CCCS(=O)(=O)c1ccccc1)c1nc2ccc(F)cc2s1 10218185 YARZJCAKDVFNIK-UHFFFAOYSA-N 449.573 3.584 0 40 IHAB O=C(COC(=O)CCS(=O)(=O)c1ccc(Cl)cc1)Nc1cccc2ccccc12 10317651 LDJFRZDQPKNVHD-UHFFFAOYSA-N 431.897 3.839 0 40 IHAB COc1ccc(-c2[nH]c3ccc(F)cc3c2CCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 10431721 JMRLYCNVJWWUNK-QGZVFWFLSA-N 444.528 3.561 0 40 IHAB COc1ccc(C(=O)NC(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1 11398386 DWFKIYCLVXGMCC-UHFFFAOYSA-N 430.416 3.617 0 40 IHAB COc1ccc(S(=O)(=O)CCC(=O)N2CCC[C@@H](c3cc4ccccc4cn3)C2)cc1 12188238 TUYPCHUFMHEQMP-HXUWFJFHSA-N 438.549 3.813 0 40 IHAB COc1ccc(-c2noc(C3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)n2)c(OC)c1 12415220 NFVAQAFMMKGNPQ-UHFFFAOYSA-N 443.525 3.631 0 40 IHAB CCOC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@@H]1c1cccc(OC)c1 12554554 VUWRVFMJHZAURK-OAQYLSRUSA-N 440.521 3.739 0 40 IHAB Cc1ccc(NC(=O)COc2ccc(F)c(F)c2)cc1S(=O)(=O)N1CCCCCC1 12647806 DERDKRRHSWJXSM-UHFFFAOYSA-N 438.496 3.855 0 40 IHAB CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)c1occc1Br 12654884 CNUGBPAUIZWTML-UHFFFAOYSA-N 436.262 3.772 0 40 IHAB O=C(NCCc1cccs1)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 12760400 VCKMILORKYXGOE-UHFFFAOYSA-N 446.516 3.527 0 40 IHAB C[C@@H]1CCCN(Cc2csc(NC(=O)C3CCN(C(=O)c4cccs4)CC3)n2)C1 12780285 DODDPVIGRPVHIP-OAHLLOKOSA-N 432.615 3.927 0 40 IHAB Cc1cccc(C(=O)N[C@H](C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)C(C)C)c1 12791658 BDXOEEQVPSBHPN-IBGZPJMESA-N 436.430 3.950 0 40 IHAB Cc1c(C(=O)O[C@H](C)C(=O)Nc2ccc(F)cc2Cl)sc2nc3n(c(=O)c12)CCC3 12856207 VDGSDHURZJDELF-SNVBAGLBSA-N 449.891 3.689 0 40 IHAB O=C(CN1CCC[C@@H](c2nc3ccccc3s2)C1)N[C@@H]1CCN(Cc2ccccc2)C1 12913613 ZVTHZKNSRZHPIO-NHCUHLMSSA-N 434.609 3.866 0 40 IHAB C[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(OC(F)F)cc1 12914966 BDZQOBNIKNLFOT-SECBINFHSA-N 439.267 3.900 0 40 IHAB C[C@@H](c1ccccc1)N1C[C@@H](C(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)CC1=O 12919619 PFGIPDIFLFBUNW-ZFWWWQNUSA-N 434.323 3.658 0 40 IHAB O=C(c1cccc(Oc2ccccc2)c1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 12927730 UDJJYXIGUHMGPZ-DEOSSOPVSA-N 444.487 3.603 0 40 IHAB O=C(NN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccc(Cl)cc1 13152193 OWEMRTXJXKWHGO-JQBYJRRVSA-N 428.875 3.877 0 40 IHAB CC(C)[C@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccc2c(c1)OCCCO2 13163494 LPSKXJBTKGJUTQ-QHCPKHFHSA-N 444.553 3.650 0 40 IHAB O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1cc(Cl)ccc1Cl 13470905 GDMBPHJNTUKHHI-UHFFFAOYSA-N 429.325 3.795 0 40 IHAB COc1ccc(-c2nnc3sc(-c4cc(OC)c(OC)c(OC)c4)nn23)cc1OC 13495724 ASGPOUMUQRQAIH-UHFFFAOYSA-N 428.470 3.563 0 40 IHAB COc1ccccc1[C@H](c1nnnn1C1CCCC1)N1CCN(c2ccccc2F)CC1 13503910 RJFXNFWALUAQMR-HSZRJFAPSA-N 436.535 3.848 0 40 IHAB Cc1ccc2cc(CN(C[C@@H]3CCCO3)S(=O)(=O)c3ccc(Cl)cc3)c(=O)[nH]c2c1 13557221 CDLBIIGGLBOEMW-IBGZPJMESA-N 446.956 3.860 0 40 IHAB CCCN(Cc1nc2ccsc2c(=O)[nH]1)S(=O)(=O)c1cccc(Cl)c1Cl 14093767 HWNJJPPFOFUUKQ-UHFFFAOYSA-N 432.354 3.892 0 40 IHAB CCOc1cc(CNCCc2ccc(OC)c(OC)c2)ccc1OCC(=O)NC(C)(C)C 16688917 KYCLFFJTRQCXGF-UHFFFAOYSA-N 444.572 3.728 0 40 IHAB Cc1ccc(-c2nc3scc(CCNS(=O)(=O)c4cc(C)ccc4C)n3n2)cc1 17051938 BSUFCFYZGPJRBJ-UHFFFAOYSA-N 426.567 3.904 0 40 IHAB CCN(CC)C(=O)c1sc(NC(=O)c2ccc(OC)cc2OC)c(C(=O)OC)c1C 17098869 ARZZXXRGCLRWIU-UHFFFAOYSA-N 434.514 3.595 0 40 IHAB CCCN1CCN(C(=O)c2cn(C)cn2)C[C@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 19502759 JADBEYLRIBJYQR-NRFANRHFSA-N 448.542 3.780 0 40 IHAB Cc1n[nH]cc1C(=O)N1CCC[C@](Cc2ccccc2-c2ccccc2)(C(=O)N(C)C)C1 19582315 KHHKTSRAVHUOJI-AREMUKBSSA-N 430.552 3.938 0 40 IHAB CN(C)c1ncc(-c2cccc(C(N)=O)c2)c(C2CCN(Cc3ccc(F)cc3)CC2)n1 19694161 ULUABUFHSNJVTB-UHFFFAOYSA-N 433.531 3.827 0 40 IHAB Cc1nc([C@H]2CCCN2Cc2cnn(C)c2C)nc2c1CCC(=O)N2CCc1ccccc1 19740682 GKBMRXZHMCKTPL-HSZRJFAPSA-N 444.583 3.686 0 40 IHAB Cc1cnc(C(=O)N2CCCC[C@H]2c2ncc(C(=O)Nc3ccc(F)cc3)c(C)n2)cn1 19765093 FMGSTLHABQVVEN-FQEVSTJZSA-N 434.475 3.642 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(Br)c(C)c2)cc1N1CCCC1=O 20047349 PEVZQSYGQCTMPK-UHFFFAOYSA-N 439.331 3.694 0 40 IHAB CCSc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1 20110859 UKWRLKQQSQFKFB-INIZCTEOSA-N 434.583 3.847 0 40 IHAB O=C(Cn1ncn2nc(-c3ccc(Cl)cc3)cc2c1=O)Nc1cccc(C(F)(F)F)c1 21025335 OGXLKKBQSAIFQF-UHFFFAOYSA-N 447.804 3.869 0 40 IHAB CCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(OC)cc3OC)cc2Cl)CC1 21595456 NECTUMQNXDRUEV-UHFFFAOYSA-N 431.920 3.668 0 40 IHAB Cc1cccc(-c2nnc([C@H](C)OC(=O)CCNC(=O)CCC(=O)c3cccs3)o2)c1 21732066 VCGWPVUJSIQFFF-HNNXBMFYSA-N 441.509 3.880 0 40 IHAB COc1ccc(C2=NN(C(=O)COC(=O)c3cccnc3Cl)[C@H](c3ccco3)C2)cc1 22110348 HSKLFVNVXLSVLW-SFHVURJKSA-N 439.855 3.871 0 40 IHAB O=C(CN1C(=O)COc2ccccc21)NC[C@H](c1cccs1)c1c[nH]c2ccccc12 23484757 JDQYSQOKBVVFEU-SFHVURJKSA-N 431.517 3.903 0 40 IHAB O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)N1CCN(c2cnccn2)CC1 25343558 XNFFETQJTJHBMW-UHFFFAOYSA-N 433.459 3.510 0 40 IHAB CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)CCCNC(N)=O 32678760 HVZFGLGUVCYFJS-UHFFFAOYSA-N 425.920 3.600 0 40 IHAB COc1ccc(-n2cnc3cc(C(=O)NCCCOC(C)C)ccc3c2=O)cc1Cl 36357890 CBCAIVUDRFESPW-UHFFFAOYSA-N 429.904 3.593 0 40 IHAB COc1ccc(-c2cc(C(=O)N3CCN(Cc4cccs4)CC3)c3cnn(C)c3n2)cc1 36613368 YYVQPNYMKKERPK-UHFFFAOYSA-N 447.564 3.663 0 40 IHAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ccc(N4CCOCC4)c(Cl)c3)c12 36616887 SPWHNFVNEYCVGA-UHFFFAOYSA-N 425.920 3.896 0 40 IHAB COCCNc1nn(CN2CCN([C@H](C)c3ccccc3Cl)CC2)c(=S)s1 40061182 FZAKTSWDVXRYSX-CQSZACIVSA-N 428.027 3.722 0 40 IHAB Cc1c(NC(=O)N(C)Cc2ccccc2Br)c(=O)n(-c2ccccc2)n1C 40094961 BYYQIJUYIJGGPU-UHFFFAOYSA-N 429.318 3.911 0 40 IHAB CC[C@H](C)NC(=O)c1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 40121962 VEZHSGJCLYUKGU-MAUKXSAKSA-N 427.932 3.538 0 40 IHAB O=C(Nc1ccccc1Oc1ccccc1Cl)C1=CC=CN2CCS(=O)(=O)N=C12 48234675 LWNJSKAZBNTAET-UHFFFAOYSA-N 429.885 3.568 0 40 IHAB COc1ccc(Cn2c(=O)c3sccc3n(CC(=O)Nc3ccc(C)cc3C)c2=O)cc1 57426575 NSMLSYASVLPDTB-UHFFFAOYSA-N 449.532 3.537 0 40 IHAB COc1ccc([C@H](C)NC(=O)Cn2cnc3c(cnn3-c3ccc(C(C)C)cc3)c2=O)cc1 57486534 WVPKDRWHJKSDAD-KRWDZBQOSA-N 445.523 3.592 0 40 IHAB CCc1cc(=O)n(CC(=O)Nc2cc(OC)ccc2OC)c(-c2cccc(Cl)c2)n1 57527526 UGZITEZPCZCBJW-UHFFFAOYSA-N 427.888 3.782 0 40 IHAB Cc1ccc(NC(=O)CN2C[C@H](C)N(CC(=O)Nc3ccc(C)c(F)c3)C[C@@H]2C)cc1F 72308496 BSPBGEVINZEFRD-ROUUACIJSA-N 444.526 3.553 0 40 IHAB CCCN1CCN(C(=O)c2cnc(C)cn2)[C@H](Cc2ccccc2-c2ccccc2)C1=O 72351601 ACCMCNUSSZCOFE-XMMPIXPASA-N 428.536 3.758 0 40 IHAB O=C([C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCC(c2nnc(C(F)(F)F)o2)CC1 77197715 OOWJANUKQAIDDZ-GFCCVEGCSA-N 442.825 3.501 0 40 IHAB CN(C)CCn1ccc(NC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)n1 78718493 RLMVIYXAFGEMTG-FQEVSTJZSA-N 439.947 3.598 0 40 IHAB O=S1(=O)CC[C@@H](NS(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(Cl)ccc21 84380048 CHWLZFUKCAVWFU-CQSZACIVSA-N 439.864 3.556 0 40 IHAB Cc1nn(CC(=O)Nc2ccccc2)c(=O)c2nn(-c3cccc(C(F)(F)F)c3)c(C)c12 96306045 HYFFMIJDXGBCIB-UHFFFAOYSA-N 441.413 3.857 0 40 IHAB O=C(COc1ccc(Cl)cc1)NCCN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O 96544268 QMJJIWWCTKKIQQ-GZTJUZNOSA-N 434.876 3.711 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)c2ccc(C)cc2)cc1 100344116 VKKCAAJURTUPKM-JBYIUTFZSA-N 428.554 3.504 0 40 IHAB Cc1ccc2nc(-c3ccc(N4C(=O)C[C@@H](N5CCC[C@@H](CO)C5)C4=O)cc3)sc2c1 103129262 ARPPWDFZLBIMCX-OXQOHEQNSA-N 435.549 3.608 0 40 IHAB COc1cc(Cl)c(C)cc1N1C(=O)C[C@@H](N2CCN(c3ccccc3Cl)CC2)C1=O 103292354 VAYMJXGNIUUPSG-LJQANCHMSA-N 448.350 3.765 0 40 IHAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N(C)Cc1nc(-c2ccc(OC)cc2OC)no1 219329288 LWMPHVWPLMSYML-GOSISDBHSA-N 429.448 3.709 0 40 IHAB CC[C@@H](C(=O)N(C)Cc1ccc(OC)cc1)N(c1cc(Cl)ccc1C)S(C)(=O)=O 220706781 LJYPISGHGFXFFE-IBGZPJMESA-N 438.977 3.860 0 40 IHAB Cc1ccc2c(c1)O[C@@H](C(=O)NCC1CCCCC1)CN2S(=O)(=O)c1ccccc1 224497799 PCKFXLZIAUNIFN-JOCHJYFZSA-N 428.554 3.648 0 40 IHAB CCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1cc(C)cc(C)c1C 224584430 KJTNSHGINNZIQZ-JOCHJYFZSA-N 426.557 3.943 0 40 IHAB Cc1ccc(N(CCCC(=O)NCCOc2ccc(C)c(C)c2)S(C)(=O)=O)c(C)c1 224647464 QLVVOROYBKXWJP-UHFFFAOYSA-N 432.586 3.662 0 40 IHAB CCOC(=O)c1cccc(NS(=O)(=O)c2cc(Br)ccc2OC)c1C 224958446 SRMWMYJHTPXHDC-UHFFFAOYSA-N 428.304 3.744 0 40 IHAB CSc1ccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1NC(C)=O 225314230 MGQJNVKSHBKMPG-UHFFFAOYSA-N 439.990 3.531 0 40 IHAB CCCOc1ccccc1CCCNS(=O)(=O)c1ccc2c(c1)sc(=O)n2CC 225696653 ZHOUSLKFTPMEKC-UHFFFAOYSA-N 434.583 3.783 0 40 IHAB CCN(CC(=O)Nc1cccc(Br)c1)S(=O)(=O)c1cc(C)ccc1C 225933439 OTTCJWDETUIHTH-UHFFFAOYSA-N 425.348 3.715 0 40 IHAB c1cncc(COc2ccccc2CN2CCOC[C@H](Cc3cccn4nccc34)C2)c1 257227381 FPABGPADEGOBQI-JOCHJYFZSA-N 428.536 3.999 0 40 IHAB CC1(C)O[C@@](C)([C@H]2CC3(CCN(C(=O)CCOc4ccccc4)CC3)CO2)CC[C@@H]1O 257228527 FUEUXVQJIRFIMR-YZUZCNPQSA-N 431.573 3.562 0 40 IHAB O=C(CC[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccccc1)Nc1nccs1 257248146 JCHSRSYLZXWXLI-LEWJYISDSA-N 434.565 3.792 0 40 IHAB Cc1cc(-c2cnn(C)c2)cc([C@@H]2CN(CC(=O)N(C(C)C)C3CCCCC3)CCO2)n1 257280728 OMCLCTDEGPYRIE-DEOSSOPVSA-N 439.604 3.734 0 40 IHAB COCc1ccc(C(=O)NC[C@H]2CC[C@H](c3ccnc4nc(C(F)(F)F)nn43)CC2)cc1 257324103 WNESVHWKZCADQQ-KOMQPUFPSA-N 447.461 3.993 0 40 IHAB Cc1nc(C(=O)N2C[C@@H]3c4cc(-c5ccc(F)cc5)ccc4S(=O)(=O)[C@H]3C2)cs1 306144630 ZKKJEXUDNYJCSN-XLIONFOSSA-N 428.510 3.653 0 40 IHAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3CC(=O)Nc4ccccc43)ccc2C)c1 408624757 UFOIURLQROCEHP-UHFFFAOYSA-N 435.505 3.703 0 40 IHAB CC[C@H](C)N1C(=O)S/C(=C/c2cc(Br)c(OCC(=O)O)c(OC)c2)C1=O 409009324 DEZIOVPJAKWGRV-PBJWJZLWSA-N 444.303 3.756 0 40 IHAB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(OC)ccc3OC)C2=O)cc1 409177140 BUHYETXWZKXKER-XDHOZWIPSA-N 426.494 3.941 0 40 IHAB CCCS(=O)(=O)N1CCC(NC(=O)NCC2(c3ccccc3C)CCCCC2)CC1 509894857 CCQRQBSAMQOQOK-UHFFFAOYSA-N 435.634 3.700 0 40 IHAB COc1ccc(-c2oc3c(=O)cc(C)oc3c2CC(=O)NCc2ccc3c(c2)OCO3)cc1 604403848 AIUIYPALFLXCKQ-UHFFFAOYSA-N 447.443 3.958 0 40 IHAB biogenic COCC(=O)Nc1cccc(CNC(=O)c2ccc(-c3noc(CC(C)(C)C)n3)cc2)c1 607462149 IGPRNLNZGJLRQS-UHFFFAOYSA-N 436.512 3.840 0 40 IHAB C=CC(=O)N1CCC(C(=O)N2CCC(Oc3ccc(OC)cc3)CC2)(c2ccccc2)CC1 1141834603 GKGWOXQDZMYOSY-UHFFFAOYSA-N 448.563 3.811 0 40 IHAB Cc1cc(=O)c(O)c(C2(CC(=O)NCc3csc(-c4ccccc4)n3)CCOCC2)o1 1547138705 FPQLAGLTWHLCNR-UHFFFAOYSA-N 440.521 3.532 0 40 IHAB biogenic CCOc1ccccc1N1C(=O)NC(=O)/C(=C(/C)NCc2ccc(C(F)(F)F)cc2)C1=O 1407394 GEKSAOPPVTUNAA-QGOAFFKASA-N 447.413 3.751 0 40 IHAB CCOC(=O)c1c(NC(=O)CSCC(=O)Nc2ccc(OC)cc2)sc(C)c1C 1944888 GCKUJGHLOGNOQF-UHFFFAOYSA-N 436.555 3.861 0 40 IHAB COc1ccc([C@@H]2C[C@@H](c3ccc(Br)cc3)Nc3nc(N)nn32)cc1OC 2365982 YJCLNMFONCIAIZ-GJZGRUSLSA-N 430.306 3.786 0 40 IHAB CCOC(=O)c1[nH]c(COC(=O)CCc2nc3ccccc3s2)c(C(=O)OCC)c1C 2660463 YHQHNDLOMVLERQ-UHFFFAOYSA-N 444.509 3.962 0 40 IHAB CCCCCOc1ccc(NC(=O)[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]23)cc1 2674099 KOTQDXOXUNHJPR-WVXKDWSHSA-N 435.517 3.591 0 40 IHAB biogenic CCOCCCn1c(SCC(=O)Nc2cccc(C(C)=O)c2)nnc1-c1ccncc1 3221129 LSMNQEBJZMLKLZ-UHFFFAOYSA-N 439.541 3.700 0 40 IHAB COc1ccc(C(=O)Oc2ccc(C(C)(C)C)cc2C)cc1S(=O)(=O)N1CCOCC1 3560854 SSXGVSJCTVEEFM-UHFFFAOYSA-N 447.553 3.541 0 40 IHAB COc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2Cc2ccccc2)n1N 3600330 LEDZYXNGZIPVHA-UHFFFAOYSA-N 445.548 3.989 0 40 IHAB CC1CCN(C(=O)Cn2c(SCC(=O)NC3CCCCC3)nc3ccccc32)CC1 4859186 PZBWQJVMEIBLBA-UHFFFAOYSA-N 428.602 3.836 0 40 IHAB CCN(CC)C(=O)[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(C)C 5952350 QOVOBSRWDNREQT-OAQYLSRUSA-N 425.529 3.570 0 40 IHAB COCCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nnc1-c1ccc(OC)cc1 6074147 PPLNXAZLYGRGTQ-UHFFFAOYSA-N 440.525 3.534 0 40 IHAB CCOC(=O)[C@H]1[C@@H](c2cccc(Oc3ccccc3)c2)NC(=O)N(C)[C@]1(O)C(F)(F)F 8433052 ZSZKOKPABFKBKF-MBOZVWFJSA-N 438.402 3.605 0 40 IHAB COc1cccc(CN(C(=O)c2oc3cc(C)ccc3c2C)[C@@H]2CCS(=O)(=O)C2)c1 8612139 SWKSEOVXBSPNQG-GOSISDBHSA-N 427.522 3.888 0 40 IHAB Cc1cc(C)cc(NC(=O)COC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)c1 8668485 IQCZSHSJSRFLBB-UHFFFAOYSA-N 427.460 3.798 0 40 IHAB CN1C(=O)N(C)C(=O)C2(Cc3ccc(Cl)cc3N3CC[C@@H](c4ccccc4)C[C@@H]32)C1=O 8773661 TYEXNKPJGRQRIV-OXQOHEQNSA-N 437.927 3.686 0 40 IHAB Cc1nnc2n1N[C@H](c1ccc(F)cc1)[C@@H](C(=O)Nc1ccc(Br)cc1)S2 9237657 GSFIYJRYAKUIHT-CVEARBPZSA-N 448.321 3.886 0 40 IHAB CCn1c(CC(=O)Nc2ccccc2C)nnc1S[C@@H](C)C(=O)Nc1nc(C)cs1 9264081 SHTTXNQRBLYGFZ-AWEZNQCLSA-N 444.586 3.672 0 40 IHAB COc1cccc([C@@H]2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2c2nnc(C)s2)c1 9348875 XZUNIXIPHCZCHK-GOSISDBHSA-N 435.461 3.720 0 40 IHAB CCOC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c(NC(=O)C(C)(C)C)scc12 9381642 UJTAIFMMVYRMFG-UHFFFAOYSA-N 429.498 3.617 0 40 IHAB Cc1nc2ccccc2n1Cc1nnc2sc(-c3cncc(Br)c3)nn12 9421674 CZKUCHQSYYMMDW-UHFFFAOYSA-N 426.303 3.717 0 40 IHAB Cc1ccc(CN(C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)[C@H]2CCS(=O)(=O)C2)o1 9431390 JYJIWHZEQAYAMI-ZFWWWQNUSA-N 446.352 3.878 0 40 IHAB O=C(CSc1nnc(-c2ccco2)n1C1CCCCC1)Nc1ccc2[nH]c(=O)[nH]c2c1 9602330 HRBNOQQJFISRDN-UHFFFAOYSA-N 438.513 3.944 0 40 IHAB CCCN(Cc1nnc(-c2cccs2)o1)C(=O)c1cn(CC)c2nc(C)ccc2c1=O 9614158 MBZGFSIBUODKMY-UHFFFAOYSA-N 437.525 3.889 0 40 IHAB Cc1c(O)ccc2c(COC(=O)[C@H](CC(C)C)N3C(=O)c4ccccc4C3=O)cc(=O)oc12 10788061 MASOGUSXXMBLIG-IBGZPJMESA-N 449.459 3.561 0 40 IHAB CC(=O)c1ccc(N2CCN(C(=O)C3=Cc4cc(Br)ccc4OC3)CC2)cc1 10993739 MWKMODPIKRXYDF-UHFFFAOYSA-N 441.325 3.776 0 40 IHAB CC(=O)N[C@@H]1c2ccccc2C2(CCN(C(=O)C3=CCCC3)CC2)[C@H]1OCc1ccncc1 11791245 LUJZLDRIKSKSJP-RPBOFIJWSA-N 445.563 3.828 0 40 IHAB CCc1cccc(C)c1NC(=O)Cn1c(=O)c2c(C)cc(C)nc2n(-c2ccccc2)c1=O 12413538 KYAZPYZJAVHBDY-UHFFFAOYSA-N 442.519 3.674 0 40 IHAB Cc1cccc(NC(=O)CN2CCN(C(=O)CCC(=O)c3ccc(Cl)cc3)CC2)c1C 12794834 DYLNSDHJLAVFQZ-UHFFFAOYSA-N 441.959 3.703 0 40 IHAB COc1ccc(C(C)=O)c(OC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2)c1 13059739 NBXQZIQUHQYXJS-HZPDHXFCSA-N 445.537 3.784 0 40 IHAB CC[C@@H](C)NC(=S)N(Cc1cc2cc(C)ccc2n2nnnc12)CC(C)(C)NC(C)C 13119414 BCTWPGWWAKCKBX-QGZVFWFLSA-N 441.649 3.838 0 40 IHAB CSc1cccc(N2C[C@@H](C(=O)OCC(=O)Nc3c(C)cc(C)cc3C)CC2=O)c1 13121087 ORPUAQORJQBGPA-KRWDZBQOSA-N 426.538 3.869 0 40 IHAB CC(=O)c1ccc(N(CC(=O)N2CCCC[C@H]2C)S(=O)(=O)c2ccc(C)cc2)cc1 13130832 VGNOUAJGKVLCFW-GOSISDBHSA-N 428.554 3.794 0 40 IHAB CCOc1ccc(NC(=O)NCCOc2ccc3nnc(-c4cccc(F)c4)n3n2)cc1 13706075 PCQVYEBOWXHTFV-UHFFFAOYSA-N 436.447 3.530 0 40 IHAB COc1cc([C@@H]2CC(=O)Nc3c2cnn3-c2ccc(Br)cc2)cc(OC)c1O 14000871 BSVAGYYAFDNUFB-AWEZNQCLSA-N 444.285 3.832 0 40 IHAB C[C@H](OC(=O)c1c(NC(=O)C2CCCCC2)sc2c1CCC2)C(=O)Nc1ncccn1 14045419 LCLDUJWTNRAWGQ-ZDUSSCGKSA-N 442.541 3.730 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC1=NN=C(c2cc(C)n(C3CC3)c2C)CS1 14070301 FREPAZJEECQGQL-UHFFFAOYSA-N 445.614 3.918 0 40 IHAB Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccc(CN3CCOCC3)cc2)cc1 14180318 HSWLVLFSINOUPG-UHFFFAOYSA-N 435.524 3.884 0 40 IHAB O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)c1cccc(N2CCCC2=O)c1 15028442 FZUAOLQMPYXNFE-UHFFFAOYSA-N 426.826 3.723 0 40 IHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCc1c(C)c2ccc(C)cc2oc1=O 16706909 DYIDBMVBBSDGGX-UHFFFAOYSA-N 439.464 3.785 0 40 IHAB COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 18023493 KJVGAKSWUZWNON-VJBWXMMDSA-N 430.460 3.755 0 40 IHAB COC(=O)[C@@H](OC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccccc1 18992853 VCCOZKPRDMVXIM-SFHVURJKSA-N 431.491 3.620 0 40 IHAB CC(=O)N[C@@H](C)c1ccc(C(=O)CN2CCC3(CC2)CC(=O)c2cc(C)ccc2O3)cc1 19218335 RRVCUEDSPIZSIP-SFHVURJKSA-N 434.536 3.875 0 40 IHAB Cc1ccsc1CN1CCc2nc([C@@H]3CCCN3C(=O)c3cccs3)[nH]c(=O)c2C1 19238694 GMLSITAEFFMDFF-KRWDZBQOSA-N 440.594 3.737 0 40 IHAB O=C(CCC(=O)N1CCC(c2cc(C(F)(F)F)n3ncnc3n2)CC1)c1cccs1 19342606 LLOFZUQSNQHJJK-UHFFFAOYSA-N 437.447 3.574 0 40 IHAB CCCN1CCN(C(=O)c2nccn2C)C[C@@H](Cc2cccc(-c3cccs3)c2)C1=O 19503105 INOSHRCHOJWVSM-HXUWFJFHSA-N 436.581 3.702 0 40 IHAB CCN1CCN(C(=O)c2sc(C)nc2C)C[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O 19527375 NACSUVJZZDUFPL-QFIPXVFZSA-N 448.592 3.985 0 40 IHAB CN(C)c1ncc(-c2ccccc2)c([C@H]2CCCN2C(=O)c2ccc3c(c2)OCCO3)n1 19690425 DMTLSDNBLSJWAM-HXUWFJFHSA-N 430.508 3.958 0 40 IHAB CC(C)NC(=O)c1sc2ccccc2c1[C@H]1CN(S(=O)(=O)c2ccccc2)CCO1 19697930 KNDGJIOGZZITFH-GOSISDBHSA-N 444.578 3.802 0 40 IHAB CC(=O)N[C@@H]1CCO[C@H](c2ccccc2NC(=O)Cc2csc(-c3ccccn3)n2)C1 19712296 CBXIVJXAHNSWGZ-IERDGZPVSA-N 436.537 3.743 0 40 IHAB Cc1nc([C@H]2CCCN2Cc2cnn(C)c2C)nc2c1CCC(=O)N2Cc1ccccc1 19740622 HIWOMBJJZHNXNY-JOCHJYFZSA-N 430.556 3.643 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)N[C@H](C)c1ccc(SC)cc1 20015711 LGIZIVKOAWONBF-CYBMUJFWSA-N 442.990 3.568 0 40 IHAB O=C(C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1)N1CCCc2ccccc21 20450666 UOVVREKBWCUOJJ-UHFFFAOYSA-N 432.973 3.861 0 40 IHAB O=C(O)c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccccc4F)[C@H]3C2=O)cc1 20478530 MDYBRCHPMKMXDC-QHAWAJNXSA-N 432.407 3.575 0 40 IHAB Cc1noc(C)c1COc1ccc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc1 22328273 UWOCLATYYDWKER-UHFFFAOYSA-N 441.509 3.663 0 40 IHAB Cc1nc(SCC(=O)N2c3ccccc3OC[C@H]2c2ccccc2)sc1CC(N)=O 22486883 LQQKAQTVCKEGGQ-KRWDZBQOSA-N 439.562 3.738 0 40 IHAB CCN(CC)[C@@H](CNC(=O)[C@@H](NC(=O)C1CCCCC1)C(C)C)c1cccc(OC)c1 22969332 UUPJTJGJUZKZQU-GOTSBHOMSA-N 431.621 3.915 0 40 IHAB CC(=O)c1ccccc1OCCn1cnc2c(cnn2-c2cccc(C(F)(F)F)c2)c1=O 23077980 PNJPFKHITWLVPE-UHFFFAOYSA-N 442.397 3.883 0 40 IHAB CC(C)(C)n1nnnc1[C@@H](c1cccnc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 26438842 AXDGTCNZGLWWOZ-LJQANCHMSA-N 445.493 3.754 0 40 IHAB O=C(CN1CCN(Cc2nc3ccccc3s2)CC1)Nc1ccccc1N1CCCC1 32797275 ISPGSYJUUNUZSH-UHFFFAOYSA-N 435.597 3.653 0 40 IHAB CC(=O)c1cc(CCC(=O)OCc2nc3ccccc3c(=O)n2Cc2ccco2)oc1C 32858431 ZQOHZKACSSDGIZ-UHFFFAOYSA-N 434.448 3.818 0 40 IHAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)C2CCN(C(=O)OCC(F)(F)F)CC2)c(C)c1 32869292 GKKQCSUWTCDLQO-CQSZACIVSA-N 430.423 3.585 0 40 IHAB CCOc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)Nc4cccnc4)o3)sc2c1 35597505 FEWLHWSTJOFNHJ-UHFFFAOYSA-N 444.494 3.736 0 40 IHAB CCc1ccccc1Sc1nccn2c(=O)n(CC(=O)Nc3ccc(C)cc3C)nc12 49009097 CJPCBOQFDCVKSF-UHFFFAOYSA-N 433.537 3.860 0 40 IHAB Cc1ccc(N2CCN(C(=O)c3nnn(-c4ccc(Br)cc4)c3C)CC2)cc1 51317473 GHWUVPQHYGPMSH-UHFFFAOYSA-N 440.345 3.609 0 40 IHAB O=c1c(Cl)c(N2CCN(Cc3cc(-c4ccccc4)on3)CC2)cnn1-c1ccccc1 57362701 JUDHZKKVWULEMC-UHFFFAOYSA-N 447.926 3.863 0 40 IHAB COc1ccc2[nH]c(CCNC(=O)CCN3C(=O)S/C(=C\c4ccccc4)C3=O)cc2c1 57434721 YBZRSTXGFDDHNJ-BKUYFWCQSA-N 449.532 3.962 0 40 IHAB Cc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc(Cl)cc2)[nH]n1 57472817 CUGYPDFMRAKZSC-UHFFFAOYSA-N 439.928 3.861 0 40 IHAB CCN(CC)C[C@H](C)NC(=O)Nc1cc(NC(=O)N[C@H](C)CN(CC)CC)ccc1C 58162685 SLBIOVTZRCSDQC-MOPGFXCFSA-N 434.629 3.699 0 40 IHAB CCN(CC)CCn1ccc2cc(NC(=O)CCN3C(=O)COc4ccccc43)ccc21 58180690 ANYLUTHVVXWMSZ-UHFFFAOYSA-N 434.540 3.737 0 40 IHAB COc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)NC3CCCCC3)CC2=O)cc1 59131907 FZDGDGVLXNOOIQ-QGZVFWFLSA-N 435.524 3.749 0 40 IHAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc2c(=O)n(-c3ccccc3)ccn12 64593449 UCCFRCAXPPRBNC-UHFFFAOYSA-N 425.901 3.573 0 40 IHAB O=C(Cc1nn(Cc2ccccc2)c(=O)c2ccccc12)NCCc1c[nH]c2ccccc12 71284921 ZTDAKBLSNPSNHW-UHFFFAOYSA-N 436.515 3.828 0 40 IHAB O=C(Nc1ccccc1)[C@@H](c1ccccc1)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1 71892599 MNGJYGZNVFQZOG-XMMPIXPASA-N 439.519 3.701 0 40 IHAB CCOCc1cc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)ccc1OC 72393007 WIFPNSGQIXWABA-HXUWFJFHSA-N 434.540 3.757 0 40 IHAB COc1ccc(C2(C(=O)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)CCOCC2)cc1 72402142 GGZXKRUFHKZWQR-UHFFFAOYSA-N 449.473 3.506 0 40 IHAB COc1ccccc1-n1nnc(C(=O)NCCc2c[nH]c3ccccc23)c1-c1ccccn1 77199917 IFSXALUHZCWLKB-UHFFFAOYSA-N 438.491 3.792 0 40 IHAB Cc1nc2ccc(C(=O)NCc3cc(Br)c4c(c3)OCCO4)cc2nc1C 84057454 WPGUDHVYNCCMNT-UHFFFAOYSA-N 428.286 3.710 0 40 IHAB CC(C)CCO[C@H](C)C(=O)NC1CCN(CCOc2ccc(Br)cc2)CC1 84510678 LEWJPURUDAWITJ-QGZVFWFLSA-N 441.410 3.860 0 40 IHAB O=C(CN1C(=O)NC2(CCCCCC2)C1=O)NCCC(c1ccccc1)c1ccccc1 89826225 VVPWRWCIUFRNTG-UHFFFAOYSA-N 433.552 3.970 0 40 IHAB COc1ccc(-c2[nH]nc(C)c2CC(=O)NCC2(c3ccc(OC)cc3)CCOCC2)cc1 95478896 DMBBMPOTFCBTBB-UHFFFAOYSA-N 449.551 3.809 0 40 IHAB Cc1cccc(Oc2ccc(S(=O)(=O)N3CC[C@@H](S(=O)(=O)C(C)(C)C)C3)cc2)c1 96103453 FHMZIIFZHPXCSI-HXUWFJFHSA-N 437.583 3.764 0 40 IHAB Cc1ccc(N2CCN(Cc3ccccc3)C3(CCN(C(=O)c4ccco4)CC3)C2=O)cn1 96230399 YEJYJTNEAUTDDH-UHFFFAOYSA-N 444.535 3.507 0 40 IHAB Cc1ccc(C)c(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)C(=O)c2ccccc2)c1 102090421 BXAVQEOUINVEDR-XPUPLBFISA-N 426.516 3.961 0 40 IHAB CCOC(=O)[C@H](C(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1)c1nc(C)cs1 103056209 ZRMZOYIOTDZDBP-MRXNPFEDSA-N 442.522 3.991 0 40 IHAB CC(C)(C)OC(=O)N[C@@]1(CN)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 218631833 UGWFIKWKIQAQFF-LQWHRVPQSA-N 436.961 3.502 0 40 IHAB O=C(CCCN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(OC2CCCC2)cc1 219444234 ZOZKCNWWORGZDW-UHFFFAOYSA-N 428.510 3.571 0 40 IHAB COc1cccc(N([C@@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)S(C)(=O)=O)c1 220184908 BAPNNMOPKCQQNJ-OXJNMPFZSA-N 446.569 3.577 0 40 IHAB CC[C@@H](C(=O)NCCSCc1ccco1)N(c1cc(Cl)ccc1C)S(C)(=O)=O 220714492 KSRDBJNJMLLEHD-KRWDZBQOSA-N 445.006 3.836 0 40 IHAB COc1ccc(CCNC(=O)[C@@H](C)N(Cc2ccccc2)C(=O)COc2ccccc2)cc1 222774166 MMGUJMDZIGBEFJ-OAQYLSRUSA-N 446.547 3.850 0 40 IHAB C[C@H](C(=O)NC[C@H]1CCCO1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 222843477 WONKIQQWSMEAKW-XMSQKQJNSA-N 428.960 3.985 0 40 IHAB CCC(=O)N(Cc1ccc(OC)cc1)[C@@H](Cc1ccccc1)C(=O)NCCCOC(C)C 223265297 JTZDRZUOOZNMRS-DEOSSOPVSA-N 440.584 3.976 0 40 IHAB CC(C)OC(=O)c1ccc(NCCCO)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 223424817 QOFCMQJLNXPSCC-UHFFFAOYSA-N 426.922 3.500 0 40 IHAB CC[C@@H](NC(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O)c1ccccc1C 223836044 OJIPUBFXWFATFP-HXUWFJFHSA-N 446.569 3.580 0 40 IHAB Cc1cc(C)c(N(CC(=O)NCCOc2ccc(C)c(Cl)c2)S(C)(=O)=O)c(C)c1 224158985 WSAKLGZALSZZHD-UHFFFAOYSA-N 438.977 3.535 0 40 IHAB Cc1cccc(OCCNC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)c1 224236810 SEPBBASHHVQCBY-UHFFFAOYSA-N 430.551 3.690 0 40 IHAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)Nc2ccc(Br)c(Cl)c2)cc1 225082195 WPFIFGYVSDTREI-UHFFFAOYSA-N 443.706 3.557 0 40 IHAB Cc1nc(-c2cccc(NC(=S)NCc3ccc(S(=O)(=O)N(C)C)cc3)c2)cs1 225218412 ZHRPQPRSRJTTMO-UHFFFAOYSA-N 446.623 3.855 0 40 IHAB Cc1ccccc1-c1nc2sc(=Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2n1 254606714 OIFBRKRTRXGTJG-UHFFFAOYSA-N 430.445 3.842 0 40 IHAB COCCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(OC)c(CN(C)C)c4)OCC[C@@]31C2 257209003 BOOBJLMQCFQMHQ-SYTWWSQSSA-N 444.616 3.792 0 40 IHAB Cc1nc(CC(=O)N2CCO[C@H](c3cc(CCOc4cccc(Cl)c4)[nH]n3)C2)cs1 257222726 DULQSJIZJAVVDF-FQEVSTJZSA-N 446.960 3.592 0 40 IHAB Cc1cc(C)cc(C2(C(=O)N3CCOC[C@@H](Cc4ccc5nccn5c4)C3)CCOCC2)c1 257259874 LAKADCGUCAZTKS-QHCPKHFHSA-N 447.579 3.717 0 40 IHAB O=C1CO[C@@]2(CCN(Cc3cccc(OCc4ccccn4)c3)C2)CN1c1ccccc1 257334707 YHBSRMSGOMQNIE-AREMUKBSSA-N 429.520 3.669 0 40 IHAB Cc1nc([C@H]2CCN(C(=O)C3CCCC3)C2)nc(C)c1CC(=O)NCc1ccc(F)cc1 257342545 ZPECGBWDUKXSDY-FQEVSTJZSA-N 438.547 3.598 0 40 IHAB Cc1ncsc1CN1Cc2c(nc(C)n2C(C)C)C2(CCN(c3ncccn3)CC2)C1 306129783 IMTGIAUVATZDSH-UHFFFAOYSA-N 437.617 3.881 0 40 IHAB O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1)N1CCCC1 408556097 HODXEFAWMLBPQS-UHFFFAOYSA-N 429.325 3.795 0 40 IHAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N[C@H](C)CCc2ccccc2)cc1Cl 408586747 BBWKOYOEUJKRBH-HZPDHXFCSA-N 438.977 3.543 0 40 IHAB O=C(Oc1cccc(N2C(=O)c3ccccc3C2=O)c1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 408649043 ZFPJPDROEVSKIX-HNNXBMFYSA-N 444.418 3.585 0 40 IHAB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1)Nc1ccc(Cl)cc1 408658598 LHXWMWWYBIMAPX-OALUTQOASA-N 438.867 3.591 0 40 IHAB O=C(Oc1ccc(N2C(=O)CCC2=O)cc1)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 408672600 VNUBANBYGCMYDR-GFCCVEGCSA-N 447.274 3.605 0 40 IHAB Cc1cccc(CSCCNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)c1 408704202 YLDMTXRFYLAUGL-UHFFFAOYSA-N 432.611 3.751 0 40 IHAB COC(=O)c1cccc(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)c1C 409251685 BBJWNKODPWJKPI-UHFFFAOYSA-N 438.505 3.859 0 40 IHAB O=C(N[C@H]1CCN(C(=O)COc2ccccc2)C1)N[C@H](c1ccc(F)cc1)C1CCC1 511458942 DXTCDYIGUDVBHA-REWPJTCUSA-N 425.504 3.646 0 40 IHAB CC(C)n1cnc([C@@H]2CN(C(=O)c3ccsc3)C[C@@]23CCCN(CC2CC2)C3=O)c1 585106650 DOWYLJLLBBDEJC-CVDCTZTESA-N 426.586 3.784 0 40 IHAB Cc1ccc(OCC2(O)CCN(Cc3cccc(OCCn4cc(C)cn4)c3)CC2)cc1 585270549 FQQQCMDBDACBDO-UHFFFAOYSA-N 435.568 3.985 0 40 IHAB Cc1nc2ccc(NC(=O)CN3C(=O)c4ccccc4N4C(=O)c5ccccc5[C@H]34)cc2[nH]1 604419193 GNDNFAWFPPFQCB-HSZRJFAPSA-N 437.459 3.625 0 40 IHAB O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)Nc1cc(F)c(F)c(F)c1 604419419 MWKYPAXRAJGJLV-NRFANRHFSA-N 437.377 3.857 0 40 IHAB Cn1cc(-c2cnc(OC3CCN(C(=O)c4nc(-c5ccccc5)cs4)CC3)nc2)cn1 1889269655 GRFMAHRKJNMVRH-UHFFFAOYSA-N 446.536 3.684 0 40 IHAB COc1ccc(OC)c(NC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)c1 924283 LXSNJSQEBWEEMQ-UHFFFAOYSA-N 438.505 3.708 0 40 IHAB COc1ccc(S(=O)(=O)N2CCS[C@@H]2c2cc(Br)ccc2OC)cc1 1067876 HKYYCURCCMWZLR-QGZVFWFLSA-N 444.372 3.903 0 40 IHAB Cc1cc2cc3c(cc2nc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1)CCC3 1339939 VWVGHVNIWHHEEE-UHFFFAOYSA-N 435.549 3.702 0 40 IHAB Cc1c(NC(=O)[C@@H](C)Oc2ccccc2Br)c(=O)n(-c2ccccc2)n1C 1446175 KVARLRRATHWSJA-CQSZACIVSA-N 430.302 3.653 0 40 IHAB Cc1ccc(S(=O)(=O)NCc2cc(-c3nn(C)c(=O)c4ccccc34)ccc2C)cc1 2261778 IUMMYQFWGYVYRK-UHFFFAOYSA-N 433.533 3.696 0 40 IHAB CC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2Cc2ccco2)cc1 2337371 CBJDLGBZASFPDW-UHFFFAOYSA-N 448.508 3.671 0 40 IHAB CC(C)C(NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O)C(C)C 2458606 ZEPNACXPVZKECV-UHFFFAOYSA-N 428.904 3.922 0 40 IHAB NC(=O)c1ccc(NC(=O)COC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 2633840 WDBCDPKUWHTMHY-UHFFFAOYSA-N 434.292 3.619 0 40 IHAB COc1ccc(/C=C/C(=O)OCC(=O)c2cc(C)n(C[C@@H]3CCCO3)c2C)c(OC)c1 3283123 PCZYRHNLPWIPAY-MFUYTVRRSA-N 427.497 3.740 0 40 IHAB C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(OCc3ccccc3)cc2)C1=O 3309874 SYMUDEQQGWTNCZ-VWLOTQADSA-N 429.476 3.671 0 40 IHAB CC(=O)Nc1ccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(C(=O)c3cccs3)C2)cc1 4237264 OMSGSLDBCQYYKW-FUHWJXTLSA-N 433.533 3.795 0 40 IHAB biogenic,in-vitro C[C@@H](NC(=O)CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)c1ccc(F)cc1 8762658 OUNRJQDZXQTPBJ-CRAIPNDOSA-N 441.528 3.684 0 40 IHAB CCOc1ccc(-n2c(N)c(C(=O)OC[C@@H]3CCCO3)c3nc4ccccc4nc32)cc1 8871040 UHOZVIJLFAYCHC-KRWDZBQOSA-N 432.480 3.890 0 40 IHAB O=C(Cc1ccc(F)cc1)Nc1nnc(SCC(=O)N2CCCc3ccccc32)s1 9391068 CYQVTXGNEWXDIH-UHFFFAOYSA-N 442.541 3.930 0 40 IHAB O=C(CCN1C(=O)S/C(=C\c2ccccc2F)C1=O)Nc1ccc2oc(=O)ccc2c1 9430241 QSNUNSKHQLEBIH-PDGQHHTCSA-N 438.436 3.997 0 40 IHAB C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)Nc2cc(F)ccc2F)C1=O 9508374 KDCMZTNMQYZFNI-SFHVURJKSA-N 428.222 3.677 0 40 IHAB O=C([C@H]1CN(C(=O)c2ccc(Oc3ccccc3)cc2)c2ccccc2O1)N1CCOCC1 9575502 MDKHLDBOQPNUAJ-XMMPIXPASA-N 444.487 3.746 0 40 IHAB CC(C)N1C(=O)/C(=C2/CC(=O)N(c3cccc(Br)c3)C2=O)c2ccccc21 9577011 AUIGVSZGHDSJLC-MNDPQUGUSA-N 425.282 3.921 0 40 IHAB O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1)C2=O)NCc1ccccc1 9632510 OHULIWXBJBPMOD-UHFFFAOYSA-N 448.862 3.614 0 40 IHAB Cc1ccc(NC(=O)Cn2c(=O)n(Cc3ccc(Cl)cc3)c(=O)c3ncccc32)c(C)c1 9660668 UURGQAQYSALWHP-UHFFFAOYSA-N 448.910 3.515 0 40 IHAB CC(=O)c1ccc(S(=O)(=O)Nc2ccc(-n3c(C)nc4ccccc4c3=O)cc2)cc1 9715106 ZGUGJVFHBCGJQB-UHFFFAOYSA-N 433.489 3.698 0 40 IHAB C[C@H](OC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)C(=O)Nc1ccc(F)cc1Cl 9788299 ADIJNUROYWFKRP-VIFPVBQESA-N 435.807 3.659 0 40 IHAB CCCc1cc(=O)[nH]c2nnc(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)n12 9829358 FZRGHMNSFOUBBP-UHFFFAOYSA-N 445.854 3.773 0 40 IHAB Cc1oc(-c2cccc(Cl)c2)nc1CN1N=N[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 10273599 AUCZVAMQLCTTNC-MSOLQXFVSA-N 439.834 3.936 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCCN3CCC(C)CC3)cc2)cc1 10300139 VHYLAAYQACDTMV-UHFFFAOYSA-N 443.613 3.672 0 40 IHAB O=C(C1c2ccccc2Oc2ccccc21)N1CCC(NS(=O)(=O)c2ccccc2)CC1 10375274 GRMTVYBLSYBJDK-UHFFFAOYSA-N 448.544 3.894 0 40 IHAB CCCOC(=O)CCC(=O)NC(=S)Nc1ccccc1C(=O)N(C)C1CCCCC1 12137564 XAOJTQIMEPSCHZ-UHFFFAOYSA-N 433.574 3.638 0 40 IHAB Cc1ccc(-c2ccccc2CC2(C(=O)N[C@@H]3CCS(=O)(=O)C3)CCOCC2)c(C)c1 12231618 VQYBYKRLOJWGFH-OAQYLSRUSA-N 441.593 3.613 0 40 IHAB O=C(C[C@@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21)Nc1ccc(F)cc1F 12233153 NENDWBXRJSSDPL-CQSZACIVSA-N 439.447 3.536 0 40 IHAB CCCn1c(=O)c2ccccc2n2c(S[C@@H](C)c3nc(-c4ccncc4)no3)nnc12 12537243 FDKVRSVGHJHZIR-ZDUSSCGKSA-N 433.497 3.753 0 40 IHAB O=C(Cc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1)NCc1ccncc1 12560728 OIDLSWBLBVLYGQ-UHFFFAOYSA-N 431.517 3.895 0 40 IHAB O=C(COc1c(CO)cc(F)cc1CO)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 12897902 HDVZICSSTREVPR-QFIPXVFZSA-N 429.875 3.748 0 40 IHAB CCOc1cc2c(cc1NC(=O)c1cccc(S(=O)(=O)N(C)C(C)C)c1)O[C@@H](C)C2 12906021 TVLZHHOEXRCLDL-HNNXBMFYSA-N 432.542 3.690 0 40 IHAB CCc1nn2c(=O)cc(COc3ccc(NC(=O)c4ccc(OC)cc4)cc3)nc2s1 13368162 VQEXDDJHOPOXHS-UHFFFAOYSA-N 436.493 3.553 0 40 IHAB COc1ccc(CN(CCCN2CCOCC2)C(=S)Nc2ccc(C)cc2)cc1OC 13692135 NIHPHDMNIHPYHA-UHFFFAOYSA-N 443.613 3.934 0 40 IHAB Cc1ccccc1C(=O)N1CCC(C(=O)Nc2cccc(Cl)c2N2CCOCC2)CC1 14126370 RHEPOSJPFSSWEO-UHFFFAOYSA-N 441.959 3.976 0 40 IHAB C[C@@H]1C(=O)N(CC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)C(=O)N1c1ccccc1 14171090 VQSRDBGXYVSVMU-CRAIPNDOSA-N 448.504 3.876 0 40 IHAB O=C(c1ccc2c(=O)n3c(nc2c1)CCC3)N1CCC[C@@H](c2nc3ccccc3s2)C1 15536277 XBEOCROQNFXJRE-MRXNPFEDSA-N 430.533 3.972 0 40 IHAB COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(CCC(C)C)CC(=O)N32)cc1 16042614 UASRKLJYYNKBMR-RCZVLFRGSA-N 431.536 3.908 0 40 IHAB biogenic C[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccc2c(c1)OCCO2 18110035 WSDAMTGFONVJCQ-INIZCTEOSA-N 438.505 3.750 0 40 IHAB Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](C2)[C@@H](c2ccc(F)cc2)CN3C(=O)C2CC2)cc1 19211610 VBKVDUOVLXOLGM-DNVJHFABSA-N 442.556 3.549 0 40 IHAB Cc1cnccc1-c1cnc(N(C)C)nc1[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 19239861 WSWDRKKXCXEBMC-FQEVSTJZSA-N 441.532 3.578 0 40 IHAB O=C1NCCN(C(=O)COc2ccccc2F)C[C@H]1Cc1ccccc1-c1ccccc1 19374310 ZCWUWPCRTSKNSF-OAQYLSRUSA-N 432.495 3.689 0 40 IHAB CO[C@@H]1CCC[C@@H](C(=O)NC2CCN(c3ncc(-c4ccncc4)c(C(C)C)n3)CC2)C1 19451581 JOQXFSZBTWCUII-TZIWHRDSSA-N 437.588 3.952 0 40 IHAB CC[C@H]1C[C@@H](C(F)(F)F)n2nc([C@@H]3CCN(CC(=O)NCCc4ccccc4)C3)cc2N1 19500905 QSHQDKWTXMNNIN-HBFSDRIKSA-N 449.521 3.729 0 40 IHAB Cc1nonc1C(=O)N1CCC(c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C(C)(C)C)N3)CC1 19558730 UJFJZAHXKYLHSC-LSDHHAIUSA-N 440.470 3.928 0 40 IHAB CNc1cc([C@H]2CCCN(C(=O)c3c(OC)cccc3OC)C2)nc(-c2cccnc2)n1 19592176 BTBMLKAQVOTXAL-KRWDZBQOSA-N 433.512 3.617 0 40 IHAB C[C@]1(C2CCN(CC(=O)N3CCCCC3)CC2)CCCCN(Cc2ccccc2)C1=O 19744114 FVRQJNKTULXFNO-AREMUKBSSA-N 425.617 3.930 0 40 IHAB CC[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1)c1ccc(C)cc1 20110844 MYCILIQUKLBTPG-SIKLNZKXSA-N 430.570 3.672 0 40 IHAB C[C@@H](NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C)c1ccc(C(C)(C)C)cc1 20244385 GDLRSTXBDNRZDE-MRXNPFEDSA-N 435.565 3.613 0 40 IHAB COc1ccc(-c2nc3n(n2)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)C(=O)N3)cc1 20745966 IUKZJWAACVPHFZ-AWEZNQCLSA-N 432.267 3.783 0 40 IHAB Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)Nc1nc(CN2CCCCC2)cs1 21135118 YPUWURYCTODOKC-UHFFFAOYSA-N 426.590 3.907 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCOc1ccc(Cl)cc1 21904514 JJQGOEPQRKUPTE-UHFFFAOYSA-N 436.961 3.632 0 40 IHAB Cc1cccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(Br)cc3)CC2=O)c1C 21965874 HMDVURLAWGUFHO-HNNXBMFYSA-N 445.313 3.601 0 40 IHAB CC[C@H](NC(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O)c1ccc(C)cc1C 22338166 JPTIUIVWNOXWMW-IBGZPJMESA-N 438.977 3.999 0 40 IHAB COc1ccc2sc(N(CCCN3CCOCC3)C(=O)Cc3ccc(F)cc3)nc2c1 22997544 PUTCEACHSDIJCW-UHFFFAOYSA-N 443.544 3.742 0 40 IHAB COc1ccc(CNC(=O)Cn2nc3c(c2NC(=O)c2ccccc2C)CSC3)cc1 23139583 SPNYJVWSVCWNBZ-UHFFFAOYSA-N 436.537 3.516 0 40 IHAB Cc1ccccc1CN1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)CC1 23638602 FVARQXSSICUZMI-QHCPKHFHSA-N 447.604 3.742 0 40 IHAB CCOc1ccccc1NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1cccs1 23714200 ZDCPPPHRAVQCHX-UHFFFAOYSA-N 446.550 3.989 0 40 IHAB C[C@@H](Sc1nnc(NCc2ccco2)s1)C(=O)N1CCN(Cc2ccccc2)CC1 23881808 SRYSANAOYFZDSA-MRXNPFEDSA-N 443.598 3.568 0 40 IHAB O=C(Nc1nnc(Cc2ccccc2)s1)C1(S(=O)(=O)c2ccccc2)CCCC1 24951218 QGNPYKPMWQHGDX-UHFFFAOYSA-N 427.551 3.854 0 40 IHAB CCOc1ccc(NC(=O)c2ccc(NC(=O)c3ccc4c(c3)C(=O)N(C)C4=O)cc2)cc1 24985874 NUIAITPCSGQEQP-UHFFFAOYSA-N 443.459 3.816 0 40 IHAB Cc1cc(C(=O)COC(=O)C2CCN(C(=O)C3CC3)CC2)c(C)n1CCc1ccccc1 25161741 XAYDSHJNURMIHG-UHFFFAOYSA-N 436.552 3.722 0 40 IHAB O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1cccc(Br)c1 28091904 CSHAMTWOYCMRKR-UHFFFAOYSA-N 437.359 3.805 0 40 IHAB Cc1ccccc1[C@H](NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O)c1ccccc1 30874036 ISARZXVSDHBOPJ-HSZRJFAPSA-N 426.513 3.806 0 40 IHAB COc1ccc(N2C[C@@H](c3nc4ccccc4n3CC(=O)N3CCCCCC3)CC2=O)cc1 31903654 OZXMCQNPRFDWGZ-IBGZPJMESA-N 446.551 3.968 0 40 IHAB O=C(NCc1cccc(Oc2ccccc2)c1)c1ccc(S(=O)(=O)N2CCCC2)o1 32362831 LKINMTBUZWYPLB-UHFFFAOYSA-N 426.494 3.786 0 40 IHAB CCOc1cc2c(cc1CNC(=O)c1ccc3c(=O)n4c(nc3c1)CCCCC4)O[C@H](C)C2 32741026 SUINNSJQNRSHHE-MRXNPFEDSA-N 447.535 3.775 0 40 IHAB Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)C[C@@H]2OC(=O)c3ccccc32)c1C 32970882 NEGLQHYFZLXSIN-AVRDEDQJSA-N 436.508 3.551 0 40 IHAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)Oc3ccc4ccccc4c3Br)ccc21 32988064 ATIHUQRHXVHHLM-UHFFFAOYSA-N 439.265 3.845 0 40 IHAB CCc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(OC)c3OC)C(O)=NC2=S)cc1 33666966 SCTWPVWGUBECRZ-FOWTUZBSSA-N 426.494 3.946 0 40 IHAB CC[C@H](C)[C@@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)NCc1cccnc1 36594054 HXWKSCDWFYEPNF-HRAATJIYSA-N 447.564 3.943 0 40 IHAB O=C(CSCc1ccc(F)cc1)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 38753883 HKOVLYROGDTNNV-UHFFFAOYSA-N 431.514 3.893 0 40 IHAB Cc1cc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C4CCCCC4)cc3)CC2)no1 48312097 WMIQXQMVAIUPAH-UHFFFAOYSA-N 432.546 3.569 0 40 IHAB COc1ccc(-n2nnc(C(=O)NCc3ccc(SC)cc3)c2-c2cccnc2)cc1 49003573 FHYORBSIZAHHGN-UHFFFAOYSA-N 431.521 3.990 0 40 IHAB CCCCn1c(=O)c2sccc2n(CC(=O)Nc2cc(Cl)cc(Cl)c2)c1=O 57427343 UYYWEPWBOWYRCW-UHFFFAOYSA-N 426.325 3.970 0 40 IHAB COc1ccc(C(=O)Cn2nc(-c3ccccc3Br)ccc2=O)cc1OC 57486318 XMFVIIXAXGPMSJ-UHFFFAOYSA-N 429.270 3.573 0 40 IHAB C[C@H](OC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)C(=O)c1c[nH]c2ccccc12 58017440 QREZDNDUAFXPEP-KKSFZXQISA-N 440.521 3.526 0 40 IHAB Cc1cc(=O)c(C(=O)N[C@@H](C)COc2ccccc2F)nn1-c1ccccc1C(F)(F)F 60013514 LNOXFTSJRQNNGV-ZDUSSCGKSA-N 449.404 3.896 0 40 IHAB C[C@@H]1CN(C(=O)c2ccc(CNC(=O)NCc3nc4ccccc4s3)cc2)C[C@@H](C)O1 63306648 OMUSPHYYJWCNOJ-HZPDHXFCSA-N 438.553 3.545 0 40 IHAB Cc1ccccc1-c1noc(CN(C)S(=O)(=O)c2ccc(Br)s2)n1 63459282 UAXGGBHBBTYPII-UHFFFAOYSA-N 428.333 3.690 0 40 IHAB Cc1cccc(-c2noc(-c3ccc(=O)n(CC(=O)NCCCc4ccccc4)c3)n2)c1 67289574 AQHFKUPGHUUYKN-UHFFFAOYSA-N 428.492 3.623 0 40 IHAB CCCCc1ccc(NC(=O)Cn2cnc3nc(N4CCCCC4)sc3c2=O)cc1 67317063 BSMBGPIBQFDOJL-UHFFFAOYSA-N 425.558 3.825 0 40 IHAB Cc1cc(C)nc(Nc2cccc([C@@H]3CCCN3C(=O)c3ccc4c(c3)OCCO4)n2)n1 72375169 LGRDVXHQDBGGPS-IBGZPJMESA-N 431.496 3.981 0 40 IHAB O=C(O)C[C@@H](CC(=O)NCC1CCN(C(=O)c2ccccc2F)CC1)c1cccs1 90607353 FKJRQPQDUOUXQZ-MRXNPFEDSA-N 432.517 3.504 0 40 IHAB Cc1cnn(-c2ccc(S(=O)(=O)Nc3cnc(Cl)c(Br)c3)cc2F)c1 95944090 NDPXGTZAWNNHFA-UHFFFAOYSA-N 445.701 3.932 0 40 IHAB COc1ccc(-c2cc(N3CCN(C(=O)c4cc(Cl)ccc4OC)CC3)[nH]n2)cc1 98212549 DEYWKCHLOQOVAQ-UHFFFAOYSA-N 426.904 3.710 0 40 IHAB CCc1ccc(N([C@H](C)C(=O)NCCSCc2ccccc2C)S(C)(=O)=O)cc1 220272944 UNORZMDXDCPJOI-GOSISDBHSA-N 434.627 3.762 0 40 IHAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1 223453919 DSQGHRNXLBKGOD-XMMPIXPASA-N 434.511 3.981 0 40 IHAB COCCNC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1 225581570 STLMEOOFRCEOQI-UHFFFAOYSA-N 447.938 3.706 0 40 IHAB CCc1ccc([C@@H](C)NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc1 225594466 FSCNSQIDIIXJAW-CQSZACIVSA-N 439.375 3.655 0 40 IHAB CCn1c(=O)sc2cc(S(=O)(=O)N[C@@H]3CC(C)(C)Oc4ccc(OC)cc43)ccc21 225697469 RLXHZFMRYUGAFR-MRXNPFEDSA-N 448.566 3.672 0 40 IHAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc3sncc3c2)cc1Cl 226061577 YJZZROFMYXPUJN-UHFFFAOYSA-N 439.946 3.608 0 40 IHAB O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)[C@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 247744930 QADUAXCNBGLLNQ-XMDUPGNXSA-N 445.412 3.840 0 40 IHAB COc1ccc(Br)c(C(=O)NC[C@@H](c2ccoc2)N2CCSCC2)c1 253401422 MWYZFEYHPQQISP-KRWDZBQOSA-N 425.348 3.571 0 40 IHAB Cc1ccc(Oc2ncccc2C(=O)N2CCOC[C@@H](Cc3cccc4[nH]ncc34)C2)cn1 257318635 VOULZBHMXWOOPC-SFHVURJKSA-N 443.507 3.785 0 40 IHAB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1)Nc1ccccc1Cl 408653303 FDMNAMROHYJXFY-IRXDYDNUSA-N 440.883 3.815 0 40 IHAB Cc1ccc(C)c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)cc2)c1 408659210 MHRURBMEBZRTDU-HTUUBCJYSA-N 446.503 3.634 0 40 IHAB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)Nc1ccccc1Cl 408672745 ZTYAGTDEWAWHRR-IAGOWNOFSA-N 438.867 3.591 0 40 IHAB NC(=O)c1ccccc1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 409026285 KZBMEYKMHIOSAJ-XMMPIXPASA-N 431.517 3.812 0 40 IHAB CCOC(=O)COc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)ccc1OC 409215911 CCBFPLBBYSRDEV-ZHZULCJRSA-N 441.505 3.916 0 40 IHAB COc1ccc(Cl)cc1NC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1Cl 409375163 GPCPGRPBCFFJPB-UHFFFAOYSA-N 447.340 3.706 0 40 IHAB CCOC(=O)C1=C(c2ccccc2)N(C)C(=O)N[C@@H]1c1ccc(OC(F)F)c(OC)c1 707419 BZHVDOVKFPHFTE-GOSISDBHSA-N 432.423 3.967 0 40 IHAB COc1ccc(S(=O)(=O)N(Cc2ccco2)Cc2cc3cccc(C)c3[nH]c2=O)cc1 923451 QIVPFBIXZNIPFF-UHFFFAOYSA-N 438.505 3.829 0 40 IHAB CCOC(=O)c1c(SCCO)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O 1644223 DQRIAKCDZCNMQU-UHFFFAOYSA-N 428.535 3.619 0 40 IHAB COc1ccc(CCNC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)cc1OC 2060523 IHABNYZRBFOSOC-SILNSSARSA-N 436.533 3.895 0 40 IHAB CCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1 2147307 PGEPMAKQHFTJEB-FQEVSTJZSA-N 443.521 3.771 0 40 IHAB biogenic COc1cc(NC(=O)Cn2cc(Cl)cn2)cc(S(=O)(=O)c2ccc(Cl)cc2)c1 2805212 BZVIJNHWZZSCOF-UHFFFAOYSA-N 440.308 3.670 0 40 IHAB O=C(COC(=O)/C=C/c1cnc2ccccc2n1)NCCc1ccc(Cl)cc1Cl 3278928 COTQDQZIKNLXQS-BQYQJAHWSA-N 430.291 3.852 0 40 IHAB CCc1ccccc1Nc1nc(N)nc(CSc2nnnn2-c2cc(C)ccc2C)n1 3450033 JXLJZJIMLUWVBK-UHFFFAOYSA-N 433.545 3.645 0 40 IHAB CCSc1nnc([C@@H]2CCCN2CC(=O)N2CCC(Cc3ccccc3)CC2)n1C 5001619 CRXHMQLWUXSJOT-FQEVSTJZSA-N 427.618 3.545 0 40 IHAB O=C1[C@@H]2[C@H](C(=O)N1Cc1cccnc1)C1c3ccccc3C2(Br)c2ccccc21 8449604 APYWSEPQFKBQQR-ISQHLFTMSA-N 445.316 3.980 0 40 IHAB COc1ccc(/C=C\C(=O)NCC2(c3ccc(OC)c(OC)c3)CCOCC2)cc1OC 8740198 GCVMEXSUEGULKU-POHAHGRESA-N 441.524 3.599 0 40 IHAB biogenic CCSc1nc(N2CCCC2)c2cnn(CCNC(=O)c3cc4ccccc4o3)c2n1 8793641 HAOBFALJZSVYHI-UHFFFAOYSA-N 436.541 3.715 0 40 IHAB CCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1cc(Br)c(O)c(OC)c1 8845798 QAWRAEOZJWCMPV-GOSISDBHSA-N 444.285 3.824 0 40 IHAB Cc1cc(C(=O)CSc2nnnn2-c2ccc(O)cc2)c(C)n1Cc1ccc(F)cc1 8896795 KPFWVHBRECEVQR-UHFFFAOYSA-N 437.500 3.949 0 40 IHAB COc1ccc(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 8918741 PFNVRCXHNLRTLY-UHFFFAOYSA-N 444.484 3.677 0 40 IHAB O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)N(Cc1ccco1)C1=CCCCC1 8924532 PDXQDVXKINHOEZ-RUZDIDTESA-N 433.508 3.850 0 40 IHAB O=C(NC1CC1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 9234533 YCCRJUHTCWWISZ-LBPRGKRZSA-N 432.307 3.877 0 40 IHAB O=C(CNC(=O)c1ccccc1)NCC1CCC(C(=O)Nc2cccc3ncccc23)CC1 9340417 ICSDWVUKHOKHCH-UHFFFAOYSA-N 444.535 3.526 0 40 IHAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)COC(=O)Cc1ccc(F)cc1 9466197 CDFBTJVWJRZIDT-UHFFFAOYSA-N 429.366 3.594 0 40 IHAB CC(C)(C)NC(=O)C1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 9509627 ZGGUYRHEBVKERD-UHFFFAOYSA-N 426.888 3.674 0 40 IHAB COc1ccc(CN(Cc2cccs2)C(=O)c2ccccc2-n2cnnn2)cc1OC 9633755 BZBVZZKLTXVVGM-UHFFFAOYSA-N 435.509 3.584 0 40 IHAB COc1ccc(Br)cc1/C=C/C(=O)Nc1cc(OC)c(OC)cc1C(=O)O 9668157 YQAZLEITUKPZBI-QPJJXVBHSA-N 436.258 3.825 0 40 IHAB CCOc1cc(C(=O)Nc2nnc(-c3ccc4c(c3)OCO4)o2)cc(OCC)c1OCC 9701552 UPWYXUDWBPKSEP-UHFFFAOYSA-N 441.440 3.914 0 40 IHAB Cn1c(SCC(=O)Nc2ccccc2C(=O)NC2CCCC2)nnc1-c1ccccc1 9883527 BSDGQFYFDLPSTR-UHFFFAOYSA-N 435.553 3.885 0 40 IHAB CCOC(=O)c1sc2nc(COC(=O)CCOc3ccccc3C)nc(N)c2c1C 10395390 COZNEWIVAIFGFW-UHFFFAOYSA-N 429.498 3.579 0 40 IHAB Cc1cc(-n2c(C)cc(C(=O)COC(=O)c3ccc4c(c3)NC(=O)[C@@H](C)S4)c2C)no1 10985153 RAYCRNNBEHZTBY-CQSZACIVSA-N 439.493 3.863 0 40 IHAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 11073963 JMRHDYOLKMFNAY-HOTGVXAUSA-N 442.947 3.671 0 40 IHAB CCn1c(=O)oc2cc(S(=O)(=O)N3CCCCC[C@H]3c3cc(C)on3)c(Cl)cc21 12187840 NALZTWSIKIHGSP-HNNXBMFYSA-N 439.921 3.870 0 40 IHAB CCC(=O)N1CCc2cc([C@@H](O)CN3CCC[C@@](O)(c4ccc(F)cc4)CC3)ccc21 12188763 IKSYYFFPOGVAQM-ZCYQVOJMSA-N 426.532 3.532 0 40 IHAB COc1ccccc1NC(=O)[C@H](C)N(C)CC(=O)Nc1ccc(Br)cc1C 12695453 HPWHAKWRDDIWMB-AWEZNQCLSA-N 434.334 3.664 0 40 IHAB Cc1ccc(OCC(=O)Nc2nc(CN3C[C@H](C)O[C@H](C)C3)cs2)c2c1[C@@H](C)CC2=O 12738280 OTNWBMMBHCSSIZ-HRCADAONSA-N 443.569 3.768 0 40 IHAB CCOC(=O)c1c(NC(=O)c2cc(Cl)cc(Cl)c2)sc2c1CCS(=O)(=O)C2 12747516 BRDQJAPAGSMEMU-UHFFFAOYSA-N 448.349 3.955 0 40 IHAB COC(=O)Cc1ccc(OCC(=O)NC(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 12925333 CJDZKSMZJMULQH-UHFFFAOYSA-N 449.503 3.704 0 40 IHAB CSc1nc(C)c(CCC(=O)Nc2ccc(I)cc2)c(C)n1 12992986 JTHBHNHBAWCGLA-UHFFFAOYSA-N 427.311 3.991 0 40 IHAB CCCNC(=O)c1ccccc1NC(=O)[C@@H](CC)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13686608 AUKKSXDNYFTIPQ-OAQYLSRUSA-N 445.585 3.627 0 40 IHAB O=C([C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cc(Cl)cc(Cl)c1)N1CCCC1 14247166 QLSIFXWFERSIMF-IBGZPJMESA-N 439.364 3.731 0 40 IHAB C[C@@H]1CCC[C@H](NC(=O)COC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)[C@@H]1C 14360319 GYTPPXNQJJLVLY-IOASZLSFSA-N 437.949 3.966 0 40 IHAB CCC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3ccc(C)c(C)c3)co2)s1 16047759 NRJGMIUZHGVSNX-UHFFFAOYSA-N 445.522 3.968 0 40 IHAB Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)Oc2ccc(F)cc2)cc(=O)[nH]1 19240944 SPOMRHLZUJQLJU-SZNDQCEHSA-N 434.471 3.566 0 40 IHAB Cn1ncc(-c2ccnc(N3CCCC3)n2)c1[C@@H]1CCCN1C(=O)Cc1ccccc1F 19288609 VZMSWVJIZUMYDM-NRFANRHFSA-N 434.519 3.523 0 40 IHAB Cc1ccc2cc(COC(=O)Cn3nc(-c4ccc(F)cc4)oc3=O)c(Cl)nc2c1 19353075 NVRZBZTZVHUYRK-UHFFFAOYSA-N 427.819 3.896 0 40 IHAB CCNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)c2c(C)noc2C)C1 19528571 ZUANCHZCQDRRMS-SANMLTNESA-N 446.551 3.955 0 40 IHAB Cc1nonc1CC(=O)N1CCC(c2cc3nc(C(C)C)cc(C(F)(F)F)n3n2)CC1 19558948 VDAQGMFBZCTGQT-UHFFFAOYSA-N 436.438 3.512 0 40 IHAB COc1ccc(CN2CCNC(=O)[C@@H](Cc3ccccc3-c3cccnc3)C2)cc1OC 19561117 KMQXYFWSNHBUST-QFIPXVFZSA-N 431.536 3.557 0 40 IHAB CN(C)C(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CCCN(C(=O)c2ccccn2)C1 19579307 KTSOKESXGUJXEJ-SANMLTNESA-N 428.536 3.697 0 40 IHAB COc1ccc(F)cc1-c1ccccc1CC1(C(=O)N2CCN(C)CC2)CCOCC1 19589699 SVNIPXZBPJGLCN-UHFFFAOYSA-N 426.532 3.615 0 40 IHAB CCn1cc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@@H]3CC[C@H]2C3=C(C)C)c(C(=O)NC2CCCCC2)n1 19636630 UWBBAKSRUFMVAU-FIYPYCPBSA-N 442.560 3.597 0 40 IHAB Cc1cc(C)n(CCC(=O)N2CCC(c3ccc(Cc4ccccc4F)cn3)CC2)c(=O)n1 19690517 QDJZDDQFPHVNDZ-UHFFFAOYSA-N 448.542 3.781 0 40 IHAB Cc1cc(Cc2ccc(F)cc2)cc(C2CCN(CC(=O)Nc3cn(C)nc3C)CC2)n1 19691732 SPIGVXBSCLKXAO-UHFFFAOYSA-N 435.547 3.980 0 40 IHAB Cc1c(C(=O)N2CCO[C@@H](c3nccnc3-c3ccc(C(N)=O)cc3)C2)oc2ccccc12 19693114 XZVOYSCLFQUAOX-HXUWFJFHSA-N 442.475 3.511 0 40 IHAB Cc1c(C(=O)N2CCN(Cc3ccccc3)CC2)nnc2c(-c3ccc(Cl)cc3)cnn12 19817120 NTQXBVWYFKDJHO-UHFFFAOYSA-N 446.942 3.711 0 40 IHAB CC(=O)c1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3)C2)c1 19860990 HSWOYSUIOZEBKO-SFHVURJKSA-N 434.945 3.723 0 40 IHAB CSc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc2)cc1 20019319 KZAWXCFWXWPZFS-INIZCTEOSA-N 448.610 3.886 0 40 IHAB COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)c(F)c3)cc2)c1 20021047 GKDCNLNKTLUTBN-UHFFFAOYSA-N 448.447 3.792 0 40 IHAB COc1ccc([C@H]2CSCCN2C(=O)COc2ccc3c(C)cc(=O)oc3c2)cc1 20744663 BJPRUUFYBYLISZ-HXUWFJFHSA-N 425.506 3.806 0 40 IHAB biogenic COc1ccccc1NC(=O)CN1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 21392984 QVTQBFRXSFDHNY-UHFFFAOYSA-N 442.869 3.913 0 40 IHAB Cc1ccc(C(=O)Nc2cccc(C(=O)OCc3cc(=O)n4c(C)csc4n3)c2)cc1 21632996 OBWLYDRLDZLQMR-UHFFFAOYSA-N 433.489 3.982 0 40 IHAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1C[C@H](C(=O)N(C)C)Oc2ccccc21 21676612 GFGFQBVJIVSDQI-QGZVFWFLSA-N 443.862 3.939 0 40 IHAB CCCc1nnc(S)n1CC(=O)N(C)Cc1c(C)nn(Cc2ccccc2Cl)c1C 21928595 PQMVDMFZSOMVMW-UHFFFAOYSA-N 447.008 3.693 0 40 IHAB Oc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 22056257 IFMMYZUUCFPEHR-UHFFFAOYSA-N 432.883 3.973 0 40 IHAB in-vitro CC(C)(C)SCCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1 22388996 GZFNDSJKYXIQDL-UHFFFAOYSA-N 442.553 3.808 0 40 IHAB Cc1n[nH]c(=O)c2c(NC(=O)CSc3nn(-c4ccccc4)c(=S)s3)oc(C)c12 22725520 MNNOIGDXNZCPHP-UHFFFAOYSA-N 445.551 3.840 0 40 IHAB Cc1c(Cl)c(CSc2ccc(S(=O)(=O)N3CCOCC3)cn2)nc2ccccc12 22888697 ACCIFHFWZACWNQ-UHFFFAOYSA-N 449.985 3.905 0 40 IHAB Cc1nc2sc([C@H](c3ccc(F)cc3)N3CCN(c4ccccc4F)CC3)c(O)n2n1 23157539 XWSIZWDVZWACEH-IBGZPJMESA-N 441.507 3.995 0 40 IHAB CCOC(=O)c1c(NC(=O)COC(=O)c2cnc(Cl)c(Cl)c2)sc2c1CCC2 23514898 FQKPSIYVWCEKCO-UHFFFAOYSA-N 443.308 3.911 0 40 IHAB O=C(Nc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1)c1cccs1 23908098 LXBVDRWRLUQIAI-UHFFFAOYSA-N 447.560 3.893 0 40 IHAB Cc1nc(CSc2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc2)cs1 27157479 LFMDAVIMTDRZQS-UHFFFAOYSA-N 427.551 3.935 0 40 IHAB COc1ccccc1NC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 27546969 JJUKQTIASWHTIG-KRWDZBQOSA-N 429.476 3.939 0 40 IHAB O=C(Nc1nc(CN2CCCCC2)cs1)c1cn(-c2ccccc2Br)nn1 28933613 MPGJGFAOQIDUMM-UHFFFAOYSA-N 447.362 3.725 0 40 IHAB O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NCc1cn2ccccc2n1 29113199 NGPHEAZJMURCGV-UHFFFAOYSA-N 440.532 3.991 0 40 IHAB Cc1ccc(CCC2CCN(CC(=O)N3CCN(C(=O)c4cccs4)CC3)CC2)cc1 29168397 SYPHCKLLNZENSQ-UHFFFAOYSA-N 439.625 3.686 0 40 IHAB Cc1c(NC(=O)CCNC(=O)C2CCCC2)cccc1C(=O)N1CCc2sccc2C1 31605719 ZEQCLVYDGIRQDY-UHFFFAOYSA-N 439.581 3.890 0 40 IHAB COc1ccc(-c2nc3n(n2)[C@H](c2ccc(OC)c(OC)c2)[C@H]2C(=O)CCC[C@H]2N3)cc1 32818820 QJIHSAQIHXCLAB-ZPMCFJSWSA-N 434.496 3.724 0 40 IHAB CCCn1c(=O)n(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)c2ccccc21 32830284 XJZUOJVKZCRWDG-IBGZPJMESA-N 435.524 3.738 0 40 IHAB Cc1oc(-c2cccc(Cl)c2)nc1Cn1nnc(C(=O)Nc2ccccc2F)c1N 33291699 RXDZVCCPBQABOP-UHFFFAOYSA-N 426.839 3.917 0 40 IHAB O=C(CN1C(=O)S/C(=C\c2ccc(Br)o2)C1=O)N1CCc2ccccc2C1 33602153 UBROKDFFBJOXFC-DHDCSXOGSA-N 447.310 3.663 0 40 IHAB CC(=O)Oc1ccc(C(=O)OCC(=O)Nc2c(C)cccc2C(C)C)cc1OC(C)=O 34911774 ITBOUDUQZIDSBK-UHFFFAOYSA-N 427.453 3.765 0 40 IHAB COc1ccc(CCNC(=O)Nc2ccc(CN3CCN(c4ccccn4)CC3)cc2)cc1 35598046 QBKKYHQZXPGGGD-UHFFFAOYSA-N 445.567 3.777 0 40 IHAB CCn1ncc(-c2noc3nc(C4CC4)cc(C(=O)NCc4c(C)nn(C)c4C)c23)c1C 36619091 VPZFVXPPMRKPPU-UHFFFAOYSA-N 433.516 3.572 0 40 IHAB COc1cc(CNC(=O)CCN2C(=O)[C@H](C)Oc3ccccc32)ccc1OC1CCCC1 40121348 YCJCGWKTXOTVNJ-KRWDZBQOSA-N 438.524 3.837 0 40 IHAB O=C(COc1ccc(Cl)cc1)Nc1cc(-c2ccccc2)nn1[C@@H]1CCS(=O)(=O)C1 41024797 RPNHBLBKKSQJDZ-QGZVFWFLSA-N 445.928 3.581 0 40 IHAB C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CCO[C@H](c2ccc(Cl)cc2)C1 48249479 MEMQQBUOSZAGAU-CYFREDJKSA-N 442.003 3.883 0 40 IHAB COc1cc(NC(=O)NCCO[C@@H]2CCCC[C@@H]2C)c(C(=O)N2CCCC2)cc1OC 58133691 FUPPTNZLPMUBKW-QFBILLFUSA-N 433.549 3.657 0 40 IHAB CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)NCc1ccccc1CN(C)C 58158613 IZQXUYGSKLCRRT-UHFFFAOYSA-N 441.963 3.760 0 40 IHAB O=C(Nc1ccc(C(=O)N2CCN(c3ccccc3)CC2)c(O)c1)c1cc(F)cc(F)c1 58416822 VFIQJMFNHWRCHI-UHFFFAOYSA-N 437.446 3.885 0 40 IHAB O=C1C[C@@H](C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)CN1Cc1ccccc1 60390597 YHCNIUXMGJDCHT-RTBURBONSA-N 435.549 3.857 0 40 IHAB COc1ccc(-c2nc(C(=O)N3CCNC(=O)C[C@@H]3c3ccccc3)cs2)cc1OC 65489310 CNVHTFFRIXRBTE-GOSISDBHSA-N 437.521 3.531 0 40 IHAB O=C(NCc1ccc(Br)cc1)c1cc(=O)[nH]c2ccc(Br)cc12 71328472 HWLBXQHDMPVEQL-UHFFFAOYSA-N 436.103 3.983 0 40 IHAB C[C@@H]1CCN(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)[C@@H](c2ccco2)C1 72304662 DUWZCCPOHISXAY-WIYYLYMNSA-N 430.570 3.997 0 40 IHAB CNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)CCc2ccccc2)CCO1 72389223 WHKIICHXJIUFJX-SANMLTNESA-N 448.588 3.934 0 40 IHAB CCc1ccc(C(=O)NC[C@@H](NC(=O)c2ccc(CC)o2)c2ccc3c(c2)OCCO3)o1 95456322 KAAMYWRXWUWVKB-GOSISDBHSA-N 438.480 3.670 0 40 IHAB CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)NCC1CCN(c2ccncc2)CC1 95459033 ADFWNXRHVJRHFL-NRFANRHFSA-N 428.964 3.522 0 40 IHAB CCOc1ncc(C2(O)[C@H]3CCC[C@H]2CN(Cc2cc(C)c(O)c(C)c2)C3)c(OCC)n1 100149753 LGBMGYUGTJEKGM-PMACEKPBSA-N 441.572 3.716 0 40 IHAB CC(C)C[C@@H](C(=O)N1CC(c2nc3ccccc3s2)C1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 101611811 ZYMNYBJCQFRJBT-SCTDSRPQSA-N 437.565 3.588 0 40 IHAB CC[C@@H](NS(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1)c1ccc(OC)c(OC)c1 219225750 OEELFKVGZZXWMQ-GOSISDBHSA-N 432.542 3.569 0 40 IHAB COc1ccccc1N1CCN(C(=O)CCCN2C(=O)c3cccc4cccc2c34)CC1 219454722 IOBDMADCQZEABE-UHFFFAOYSA-N 429.520 3.938 0 40 IHAB COc1ccc([C@@H](CC(C)C)NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 219697531 NFLFPAVKMBGOCI-HXUWFJFHSA-N 438.977 3.873 0 40 IHAB Cc1ccc(OC[C@H](C)NC(=O)[C@@H](C)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 220373298 IEWPPWBRUNEPBX-DLBZAZTESA-N 438.977 3.695 0 40 IHAB C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 220432569 QWUMGMVEJAICIK-NSHDSACASA-N 445.324 3.558 0 40 IHAB C[C@@H](C(=O)N[C@H]1CC(C)(C)Oc2ccccc21)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220460469 SQNVASIGLCBVIU-UGSOOPFHSA-N 438.496 3.538 0 40 IHAB CCc1ccc(N(CCCC(=O)N[C@@H](C)COc2ccccc2C)S(C)(=O)=O)cc1 222648826 ONTGSNYGFTYBKP-IBGZPJMESA-N 432.586 3.687 0 40 IHAB C[C@@H](C(=O)NC[C@H]1CCCO1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 222843421 WONKIQQWSMEAKW-PGRDOPGGSA-N 428.960 3.985 0 40 IHAB COc1ccc(S(=O)(=O)NCc2ccc(C(C)C)cc2)cc1I 223733434 CTARQMMQFMDTSE-UHFFFAOYSA-N 445.322 3.902 0 40 IHAB Cc1ccc(NC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)cc1N1CCCC1=O 224399855 FIDYVSPGYQTJJM-UHFFFAOYSA-N 441.553 3.613 0 40 IHAB COc1ccc(-c2cnc(CCC(=O)N3CCN(Cc4ccccc4)CC3)o2)c(OC)c1 224870860 OTPBRDKJVBQWJZ-UHFFFAOYSA-N 435.524 3.636 0 40 IHAB C[C@@H]1CCCN(c2cc(N3CCCCC3)nc(NC(=S)NCc3cccnc3)n2)C1 225939683 PNNHPLNMADBHNN-QGZVFWFLSA-N 425.606 3.585 0 40 IHAB CCN1CCN(C(=O)c2cnc(C)nc2C)[C@@H](Cc2ccccc2-c2ccccc2)C1=O 257242283 IBTWIPOSBFCPPB-DEOSSOPVSA-N 428.536 3.676 0 40 IHAB COc1ccc(Cl)cc1C(=O)N1CCN(C)C(=O)[C@@H]1Cc1cccc(-c2ccncc2)c1 257262552 LLWVJTFUAZFYFV-QFIPXVFZSA-N 449.938 3.936 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 408627291 ZEMPOGHZKWTQAG-SNVBAGLBSA-N 436.839 3.673 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1C(=O)N1CCCC1 408693545 ZILRTVVKHOQTAJ-UHFFFAOYSA-N 428.432 3.751 0 40 IHAB COc1ccc(N(C)C(=O)c2ccc(N3C(=O)c4nc5ccccc5nc4C3=O)cc2)cc1 408974833 HFVWHBHLAQKXJG-UHFFFAOYSA-N 438.443 3.716 0 40 IHAB C[C@@]1(O)CCN(C(=O)NCc2ccccc2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CCCC1 604383346 XWAHUPBCOYOOPS-JCYRPKCISA-N 435.568 3.769 0 40 IHAB biogenic,in-vitro COc1ccc(C(=O)Nc2ccc(C(=O)NC[C@@]3(CO)C[C@@H]3c3ccccc3)s2)cc1 685891987 ZUGUSCUFWZLTTA-NTKDMRAZSA-N 436.533 3.905 0 40 IHAB O=C(C[C@@]1(O)C(=O)Nc2ccc(Br)cc21)c1ccc(Br)cc1 639286 ZOUHQPKZAMRILQ-INIZCTEOSA-N 425.076 3.624 0 40 IHAB CCOc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(OC)c(OC)c1 641237 VDSRKDUHUNCBTR-HXUWFJFHSA-N 427.526 3.534 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 828325 ZFJNMJYUDWNQHS-ZDUSSCGKSA-N 431.286 3.617 0 40 IHAB O=C(Oc1ccccc1)n1c(=O)oc2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc21 1084289 BAWIWBCOIYJIMA-UHFFFAOYSA-N 428.397 3.582 0 40 IHAB O=C(N[C@@]1(C(F)(F)F)N=C(O)N(C2CCCCC2)C1=O)c1cccc(C(F)(F)F)c1 2413352 ASSVVNNWGICOBX-MRXNPFEDSA-N 437.340 3.783 0 40 IHAB Clc1ccccc1Cn1ccc(Nc2nnc(Cc3ccc(-n4cnnn4)cc3)s2)n1 2731495 KXRKAJLTANYQAI-UHFFFAOYSA-N 449.931 3.746 0 40 IHAB O=C(OCc1cc(=O)n2cc(Br)ccc2n1)c1ccc(OC(F)(F)F)cc1 3351902 LLOISAGYWKVCKP-UHFFFAOYSA-N 443.175 3.713 0 40 IHAB COC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(C)o2)nc1C 3643330 NQARFMANGDQKSP-MRXNPFEDSA-N 436.445 3.996 0 40 IHAB O=C(NC1CC1)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(-c2ccc(-c3ccccc3)cc2)nn1 8299320 BGAKYQBRRNZQRU-QTJGBDASSA-N 427.552 3.601 0 40 IHAB biogenic,in-vitro COC(=O)[C@H](C)Sc1nc2sc3c(c2c(=O)n1-c1cccc(OC)c1)CCCC3 8893325 PCSPCWCGRFGZGU-LBPRGKRZSA-N 430.551 3.988 0 40 IHAB Cc1ccc(N2C(=O)N(CC(=O)N(Cc3ccccc3)Cc3ccco3)C(=O)[C@H]2C)cc1 9112252 KIWCIOTZICFWME-LJQANCHMSA-N 431.492 3.974 0 40 IHAB COc1ccc(Cn2c(N)c(C(=O)NCCCOC(C)C)c3nc4ccccc4nc32)cc1 9192537 CRHREMFAWALYAE-UHFFFAOYSA-N 447.539 3.769 0 40 IHAB COc1ccc(C)cc1-n1c(=O)c2ccccc2n2c(SCCN3CCCCC3)nnc12 9220870 OJVLEOUQDKOJQQ-UHFFFAOYSA-N 449.580 3.928 0 40 IHAB COc1ccc(Br)cc1[C@@H]1NC(=S)NC(C)=C1C(=O)Nc1ccccc1 9304729 NBRDRCCFSBHVIR-KRWDZBQOSA-N 432.343 3.889 0 40 IHAB O=C(NCCc1csc2nc(-c3ccc(Cl)cc3)nn12)c1ccc2c(c1)OCO2 9568926 AVRWYYAQEIONRH-UHFFFAOYSA-N 426.885 3.812 0 40 IHAB O=S(=O)(c1ccc(Br)s1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 9638943 WSAPGMPEBCEXSW-GFCCVEGCSA-N 430.345 3.808 0 40 IHAB COc1ccccc1C(=O)N[C@H](CCSC)C(=O)N1CCc2[nH]c3ccccc3c2C1 9900950 OVWRGBFILVCROI-OAQYLSRUSA-N 437.565 3.613 0 40 IHAB Cc1cccc(N(Cc2ccc(C(=O)Nc3ccc(C(=O)O)cc3)cc2)S(C)(=O)=O)c1 10336321 PQUYHAOSWLOZQU-UHFFFAOYSA-N 438.505 3.912 0 40 IHAB CCCn1ccnc1S[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)N(CC)CC)c1 11234798 SKVPJCSOWLNNRV-MRXNPFEDSA-N 438.619 3.751 0 40 IHAB COc1ccc([C@H](CNC(=O)c2cc(C3CC3)nc3c2c(C)nn3C)N2CCCC2)cc1 12772231 OBCPUYGNFPXYQZ-QFIPXVFZSA-N 433.556 3.730 0 40 IHAB CC(=O)c1cc2c(cc1NC(=O)Cn1cnc3sc(-c4ccccc4)cc3c1=O)OCO2 12808028 JIJRDTZLVJANDP-UHFFFAOYSA-N 447.472 3.695 0 40 IHAB O=C(CN1CCN(C(=O)Nc2ccccc2)CC1)N[C@H](c1ccccc1)c1cccs1 12850202 WOYFGHRKLAGMMM-HSZRJFAPSA-N 434.565 3.803 0 40 IHAB NC(=O)c1cccc(NC(=O)c2ccccc2SCC(=O)NCC2CCCCC2)c1 12884684 GTMPNHSBWSFDDJ-UHFFFAOYSA-N 425.554 3.826 0 40 IHAB CCC(=O)c1ccc(OCC(=O)N(CC)Cc2nc3cc(Cl)ccc3c(=O)[nH]2)cc1 13038999 VCFAFCXMZCRUNB-UHFFFAOYSA-N 427.888 3.597 0 40 IHAB C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2ccc(-c3nccs3)cc2)C1=O 13109467 SOMKNZWMEXNJGM-QHCPKHFHSA-N 434.521 3.692 0 40 IHAB CCc1ccc2[nH]c(=O)c(CN(CCN3CCOCC3)C(=O)Nc3ccc(C)cc3)cc2c1 13511729 COFDEINWZCDKLK-UHFFFAOYSA-N 448.567 3.765 0 40 IHAB CCOC(=O)[C@H]1CCCN(c2ccc(NCc3cc4cc(OC)ccc4[nH]c3=O)cc2)C1 13563102 QFUTVYJCFSXXBZ-KRWDZBQOSA-N 435.524 3.928 0 40 IHAB CCOc1cccc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3O2)c1 13612898 SGXZQCFTMDMSHF-QFIPXVFZSA-N 438.505 3.680 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)c(C)c1 13672763 PQAWNVLSJXXIIO-UHFFFAOYSA-N 440.521 3.730 0 40 IHAB COc1ccc2nc(C[C@@H]3[C@@H](O)c4ccccc4S(=O)(=O)N3CC(C)C)ccc2c1 13681490 STZZSGYDVYDBBB-GGAORHGYSA-N 426.538 3.548 0 40 IHAB C[C@H]1CCc2c(sc3nc(CN4CCOCC4)nc(NCCCOCC4CC4)c23)C1 14076432 DLQGQKIUYMMUID-INIZCTEOSA-N 430.618 3.877 0 40 IHAB COc1cc(CNC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc(OC)c1OC 15137212 RFQOSGRFFUYLLO-UHFFFAOYSA-N 446.931 3.534 0 40 IHAB O=C(CSc1ccc2ccccc2c1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 15742943 MJXYTZXOTBVOPR-UHFFFAOYSA-N 440.590 3.606 0 40 IHAB CCCNC(=O)[C@@H](C)Sc1nnc(-c2ccc(OC)cc2)n1-c1ccc(OC)cc1 16865101 PUQDUTYRSYPOHZ-OAHLLOKOSA-N 426.542 3.958 0 40 IHAB COC(=O)c1ccsc1NC(=O)C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O 16899401 UQTSBOZZJGFHFH-LBPRGKRZSA-N 430.429 3.995 0 40 IHAB COc1ccc([C@H]2[C@@H]3C(=O)N(c4c(Cl)cccc4Cl)C(=O)[C@H]3N3CCCN23)cc1 19171290 QHWCEOJNUJKGCS-LNLFQRSKSA-N 432.307 3.538 0 40 IHAB CCOC(=O)C1(Cc2cc(-c3ccccc3F)no2)CCN(C(=O)c2ccccn2)CC1 19530164 ZPOUOXXRFLCKHY-UHFFFAOYSA-N 437.471 3.904 0 40 IHAB COc1ccc(CC(=O)N2CC[C@@](Cc3ccccc3-c3ccccc3)(C(N)=O)C2)cc1 19554030 KSLIEIFVXBFROA-MHZLTWQESA-N 428.532 3.851 0 40 IHAB CNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCN(Cc2cc(OC)cc(OC)c2)C1 19591671 DQNOQNGKMYIVKY-MHZLTWQESA-N 445.563 3.947 0 40 IHAB Cc1nc([C@H]2CCCCN2C(=O)c2cnn(C)c2)nc2c1CCCN2Cc1cccc(F)c1 19706187 LEXYKWAUJWSAKP-JOCHJYFZSA-N 448.546 3.978 0 40 IHAB CCCN1C(=O)CCc2c(C)nc([C@H]3CCCCN3C(=O)CC3(O)CCCCC3)nc21 19741187 NHFPKONNYQSBMO-LJQANCHMSA-N 428.577 3.613 0 40 IHAB O=C(NCc1ccccc1Cl)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 19868060 OGNCLTNOSCVTJB-UHFFFAOYSA-N 441.380 3.852 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CSc2nnc(COc3ccccc3OC)o2)cc1 19928463 UPSXBLLSMOCGJO-UHFFFAOYSA-N 443.481 3.565 0 40 IHAB COC(=O)c1ccc(CS(=O)(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)cc1 20458437 TZQUVNGKNXLBJW-UHFFFAOYSA-N 443.496 3.811 0 40 IHAB CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C)CC)cc1Cl 22248029 MDUYSOXLENXWQI-HNAYVOBHSA-N 438.977 3.543 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(F)cc2)c2ccccc2)cc1C 22396909 NPKCSABGLSKBHD-UHFFFAOYSA-N 442.512 3.654 0 40 IHAB C[C@H](NC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(F)cc1 22536848 RFTUYYVPGUUDCT-INIZCTEOSA-N 428.485 3.883 0 40 IHAB Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCN(CCN3CCCC3)CC2)c1 22804275 RRHCEWHLJYMUMT-UHFFFAOYSA-N 443.595 3.701 0 40 IHAB CCc1c(C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)cnn1-c1ccc(F)cc1 24626350 RJMYLBBFUUTVCI-UHFFFAOYSA-N 434.515 3.742 0 40 IHAB CCOc1ccccc1N1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(SC)c3)C2)CC1 27063093 CNJYFLXIOPWNOH-GOSISDBHSA-N 439.581 3.509 0 40 IHAB COc1ccccc1C(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 27745677 DXINLJMUFNLEBV-OAHLLOKOSA-N 428.337 3.832 0 40 IHAB O=S(=O)(Nc1ccc(-n2cc(Br)cn2)cc1)c1cccc2cccnc12 27918148 XMIAYMDPZDLAHB-UHFFFAOYSA-N 429.299 3.984 0 40 IHAB CCN1C(=O)COc2ccc(NC(=O)c3cc(=O)c4ccc(Br)cc4o3)cc21 28404289 GLHQBIPIVNXJNV-UHFFFAOYSA-N 443.253 3.553 0 40 IHAB Cc1nn(C)c2c(N3CCN(C(=O)c4ccc(OC(C)C)cc4)CC3)nc(C(C)C)nc12 28557787 YNNTXJVOVKEXRG-UHFFFAOYSA-N 436.560 3.545 0 40 IHAB CN(CC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1)S(=O)(=O)c1cccs1 29845986 SOKYFYHJCFUCQR-FQEVSTJZSA-N 426.563 3.543 0 40 IHAB Cc1sc2nc(-c3cccs3)nc(N3CCC(C(=O)NCCN(C)C)CC3)c2c1C 32823944 KTBFCPSIPYMZGD-UHFFFAOYSA-N 443.642 3.931 0 40 IHAB Cc1cc(C)nc(SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)n1 32942897 KKEVZDQFKKXWKS-UHFFFAOYSA-N 426.464 3.680 0 40 IHAB CC(=O)Nc1cccc(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)CC3)c1 33089017 ISFOOZHFUNHOAE-UHFFFAOYSA-N 426.270 3.531 0 40 IHAB COC(=O)c1ccccc1NC(=O)CSc1nnc(COc2c(C)cccc2C)o1 33595667 HBXSESSWGBRODF-UHFFFAOYSA-N 427.482 3.783 0 40 IHAB COCCOc1ccnc(-c2noc([C@@H]3CCCN3Cc3cn(C)c4ccccc34)n2)c1 35425124 PYEVDQYMMGKYRO-QFIPXVFZSA-N 433.512 3.986 0 40 IHAB biogenic,in-vitro Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)c(C)c1 39189438 FYKFRSCNYBVSKL-UHFFFAOYSA-N 428.444 3.900 0 40 IHAB Cc1ccc2nc(Nc3nc(-c4cnc(N5CCCCC5)nc4C)cc(=O)[nH]3)nc(C)c2c1 39383652 NEUPUIIGCLGALS-UHFFFAOYSA-N 442.527 3.829 0 40 IHAB CC(C)CC(=O)Nc1cccc(C(=O)OCc2cc(=O)n3c4c(sc3n2)CCCC4)c1 41085939 OZYUNPJXDKLHQI-UHFFFAOYSA-N 439.537 3.976 0 40 IHAB Cc1ccc(C)c(N(CC(=O)NCCSCc2ccc(Cl)cc2)S(C)(=O)=O)c1 44791221 RZSUCBVFNVFMFQ-UHFFFAOYSA-N 441.018 3.772 0 40 IHAB Cc1ccc2c(=O)c(C(=O)Nc3cccc(F)c3)cn(CC(=O)Nc3ccc(F)cc3)c2n1 49002149 OJPYETUWXCEGEY-UHFFFAOYSA-N 448.429 3.874 0 40 IHAB COc1ccccc1N1CCN(c2cc(SCC(=O)Nc3ccccc3C)ncn2)CC1 49006760 BCXXYWSVPVUFAB-UHFFFAOYSA-N 449.580 3.851 0 40 IHAB Cc1ccc(C(=O)NCC(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc1 57281514 SHKWYADEDASVBE-UHFFFAOYSA-N 442.563 3.686 0 40 IHAB O=C(NCCN1CCN(C(=O)Nc2ccccc2Cl)CC1)Nc1ccccc1Cl 57369921 XSWQUNWOEMZBMM-UHFFFAOYSA-N 436.343 3.965 0 40 IHAB CCOc1ccc(CNC(=O)c2cn(-c3ncccc3-c3nc(C(C)(C)C)no3)cn2)cc1 71768605 UYYXVIHFPDHAKK-UHFFFAOYSA-N 446.511 3.944 0 40 IHAB CNC(=O)CC1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccc(OC)c2)CC1 72307242 XQWJWXJHTICTGA-UHFFFAOYSA-N 432.524 3.536 0 40 IHAB Cn1nc(C(=O)N2CCC[C@@H](c3cccc(-c4cccc(C(F)(F)F)c4)n3)C2)ccc1=O 72350068 HUGICXMXTLTRSX-MRXNPFEDSA-N 442.441 3.881 0 40 IHAB CCn1ncc(S(=O)(=O)N2CCC[C@H](c3cccc(-c4cccc(F)c4)n3)C2)c1C 72350173 FUGCOYXROJLFKW-SFHVURJKSA-N 428.533 3.981 0 40 IHAB CCCNc1cc([C@@H]2CC(=O)N(CC)C2)nc2c(C(=O)Nc3ccc(Cl)cc3)cnn12 72353515 ARPUEPFABUPOHS-CQSZACIVSA-N 440.935 3.793 0 40 IHAB Cc1c(C(=O)N2CC[C@H](S(=O)(=O)c3ccc(Cl)cc3)C2)cnn1-c1ccccc1 96103490 PRFKNGHAWDVHKL-IBGZPJMESA-N 429.929 3.523 0 40 IHAB COc1cc2c(c3oc(-c4ccccc4)cc(=O)c13)[C@@H](c1cnn3cccnc13)CC(=O)O2 96115637 JIJYTRYAFQRIFH-OAHLLOKOSA-N 439.427 3.952 0 40 IHAB biogenic COC(=O)C[C@@H](c1ccc(O)c(OC)c1)c1c(O)n[nH]c1Cc1cc(F)c(F)cc1F 96231491 XHCQFDPQPAKVID-LBPRGKRZSA-N 436.386 3.533 0 40 IHAB CC(C)CN1CC2(CCN(C(=O)Nc3ccc(Cl)cc3)CC2)[C@]2(CCN(C)C2=O)C1 96262578 CJLXBVSISVBFLW-HSZRJFAPSA-N 432.996 3.774 0 40 IHAB Cc1oc2c3c(ccc2c(=O)c1-c1ccc(Cl)cc1)OCN(CCN1CCOCC1)C3 96318580 FQEQFGGBZFYBBJ-UHFFFAOYSA-N 440.927 3.906 0 40 IHAB NS(=O)(=O)c1ccc(-c2nc(-c3cccc(Cn4cnc5ccccc54)c3)no2)cc1F 97163013 DXYXZMXNRJZFFB-UHFFFAOYSA-N 449.467 3.588 0 40 IHAB COC(=O)CS[C@H]1CCN(S(=O)(=O)c2cccc(-c3ccc(Cl)cc3)c2)C1 206696815 HHNRZSGBFZBJTM-KRWDZBQOSA-N 425.959 3.676 0 40 IHAB O=C(c1ccc2c(c1)OCO2)N1CCC(N2CCC(Oc3ccccc3F)CC2)CC1 217370058 DPFYVCYOHXVMPF-UHFFFAOYSA-N 426.488 3.702 0 40 IHAB C[C@H](C(=O)NCCSCc1cccc(Cl)c1)N(c1ccccc1F)S(C)(=O)=O 220298414 VZVIFGQVEJRHSK-CQSZACIVSA-N 444.981 3.683 0 40 IHAB CC[C@@H](NC(=O)CCCN(c1ccccc1C)S(C)(=O)=O)c1ccc(OC)c(OC)c1 222563556 HSCOLJWCPPHLQA-LJQANCHMSA-N 448.585 3.826 0 40 IHAB Cc1c(Cl)cccc1N(CCCC(=O)NCCSC1CCCC1)S(C)(=O)=O 222625503 CMEWPULJZPTETL-UHFFFAOYSA-N 433.039 3.987 0 40 IHAB C[C@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1)c1ccc2c(c1)CCCC2 222972415 NUWUHYBWBIWFPK-QKKBWIMNSA-N 448.972 3.623 0 40 IHAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-n1cnnc1 223374893 RWUWRMVFHIYEBJ-YADHBBJMSA-N 429.553 3.576 0 40 IHAB COCc1cccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)cc2)c1 223720061 LRAZIQIISHLSKN-UHFFFAOYSA-N 440.521 3.676 0 40 IHAB COc1ccc(Br)cc1S(=O)(=O)NCCSCc1ccccc1C 225221410 GDJIDGSLFODHPJ-UHFFFAOYSA-N 430.389 3.978 0 40 IHAB Cc1ccc(CNC(=S)Nc2nc(Cl)cc(N3CCN(c4ccccc4)CC3)n2)o1 225916820 JLYGPRCAJXUKCO-UHFFFAOYSA-N 442.976 3.845 0 40 IHAB CCn1cnc2cc(NC(=O)C[C@H]3CCCN(C(=O)c4cnc(C(C)C)nc4)C3)ccc21 257340931 ZIDYNOMWIKETMF-QGZVFWFLSA-N 434.544 3.851 0 40 IHAB Cc1nc2c(n1C(C)C)CN(C(=O)c1ccnn1C)CC21CCN(Cc2ccccc2)CC1 306129423 ICMXUODBJSAGBZ-UHFFFAOYSA-N 446.599 3.696 0 40 IHAB CCc1ccccc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 408663633 QCNFFRGAJSEFEW-WOJBJXKFSA-N 432.476 3.500 0 40 IHAB CCc1cc(Br)ccc1NC(=O)COC(=O)CCC(=O)Nc1ccccc1 408665054 SOKJBSSLZHJGOP-UHFFFAOYSA-N 433.302 3.912 0 40 IHAB COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1OC 408921948 MGYRPNAQWXWROH-UHFFFAOYSA-N 430.457 3.896 0 40 IHAB COC(=O)CN1C(=O)/C(=C/c2ccc(OCc3cccc(F)c3)c(Cl)c2)N(C)C1=S 409203303 VIHVKFKOQYRQIR-YVLHZVERSA-N 448.903 3.631 0 40 IHAB COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C(C)C)cc3)CC2)c1 409322508 KEGOEPKZQLTYTE-UHFFFAOYSA-N 446.569 3.867 0 40 IHAB CCCn1c(C)cc(-c2csc(NC(=O)c3cncc(NS(C)(=O)=O)c3)n2)c1C 507012350 IVNLHGKRBROTBY-UHFFFAOYSA-N 433.559 3.657 0 40 IHAB Cc1cn(-c2ccc(F)cc2)nc1C(=O)N(C)[C@H]1CCN(c2ccccc2Cl)C1=O 509451437 UGUYZBNZTFUFOL-IBGZPJMESA-N 426.879 3.851 0 40 IHAB O=C(NC[C@H]1CCC2(CCN(c3ncccn3)CC2)CO1)C1(c2ccc(Cl)cc2)CC1 585101222 OUABESRCZHYFPK-HXUWFJFHSA-N 440.975 3.744 0 40 IHAB C[C@@H](c1cccnc1)N1CCN(C(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)CC1 607721244 SVHHCFLHOKRZQP-INIZCTEOSA-N 425.920 3.623 0 40 IHAB CN1CCN(C(=O)Cc2sc(NC(=O)[C@H]3CC[C@H](C)CC3)nc2-c2cccs2)CC1 725325432 ZLQAEANISSHOLB-WKILWMFISA-N 446.642 3.953 0 40 IHAB in-vitro C=CC(=O)N1CCC(C(=O)Nc2cc(C(=O)NC3CC3)ccc2C)(c2ccccc2)CC1 1630142544 DEPYLEGXSBWRHM-UHFFFAOYSA-N 431.536 3.572 0 40 IHAB CCCNC(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@@]21C 1889002140 SPLJIHBLZKCRKF-JEDDDWAOSA-N 449.676 3.890 0 40 IHAB COc1ccccc1NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 794035 ISWCTMBNROBZQV-SFHVURJKSA-N 428.535 3.511 0 40 IHAB COc1ccc(-c2cc(C(F)(F)F)nc(SCCC(=O)NC[C@H]3CCCO3)n2)cc1 920475 GBSXCAWSVKRSRS-OAHLLOKOSA-N 441.475 3.948 0 40 IHAB Cc1cc(OCC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c2c3c(c(=O)oc2c1)CCCC3 2111936 SCAYQZCNHCNDIC-CRICUBBOSA-N 425.525 3.513 0 40 IHAB biogenic CCOc1ccc(NC(=S)NC(=O)C[C@H]2SC(=O)N(c3ccccc3)C2=O)cc1 2347804 YGHQUGAZSIBXDR-MRXNPFEDSA-N 429.523 3.557 0 40 IHAB CCN(CC)c1ccc(C(=O)OCc2cc(=O)n3cc(Br)ccc3n2)cc1 2616140 IYCDPCFUUGIVCL-UHFFFAOYSA-N 430.302 3.660 0 40 IHAB COc1ccc(-c2csc(NC(=O)COC(=O)c3cc4ccccc4oc3=O)n2)cc1 2641413 BFYABSADRUOQRF-UHFFFAOYSA-N 436.445 3.721 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(O[C@H](C)C(=O)NCc3ccco3)cc2)cc1C 2725821 FNKMQBNZJRSDMV-GOSISDBHSA-N 442.537 3.805 0 40 IHAB CCn1c(SCC(=O)N2CC(=O)Nc3ccccc32)nnc1-c1ccc(Cl)cc1 3314393 IEKGQSKOVWLRJX-UHFFFAOYSA-N 427.917 3.696 0 40 IHAB COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N(C)Cc3ccc(C)o3)c2)cc1 3339488 JIGKPIKAJQLQMW-UHFFFAOYSA-N 428.510 3.694 0 40 IHAB COc1ccc(CCNC(=O)COC(=O)c2ncc(Cl)c(Cl)c2Cl)cc1OC 3367312 OCPGLEJNYXEPHP-UHFFFAOYSA-N 447.702 3.575 0 40 IHAB c1cn2c(Nc3ccc4c(c3)OCCO4)c(-c3ccc(N4CCOCC4)cc3)nc2cn1 4763208 BPTOHTYWLVJMPK-UHFFFAOYSA-N 429.480 3.748 0 40 IHAB COc1ccc(NC(=O)CSc2ncnc3c2cnn3Cc2ccccc2)cc1OC 8687244 ZLIFRLVJFYDKGV-UHFFFAOYSA-N 435.509 3.623 0 40 IHAB O=C(CCCCCCNS(=O)(=O)c1ccccc1)NCCOc1ccc(Cl)cc1 8856144 HTFKEJMAPKLZHF-UHFFFAOYSA-N 438.977 3.764 0 40 IHAB O=C(NCc1ccc(Cl)cc1Cl)[C@@H]1CCCN(c2nc(Cl)nc3[nH]cnc23)C1 9059694 DHPSFNJRFRKTCB-LLVKDONJSA-N 439.734 3.846 0 40 IHAB Cn1c(=O)c2c(nc3n(CCc4ccccc4)c(-c4ccc5ccccc5c4)cn23)n(C)c1=O 9160788 CYMPMXGVNGZQAD-UHFFFAOYSA-N 449.514 3.749 0 40 IHAB CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CC)cc1C 9166423 KAKNNKLRUGDGHZ-UHFFFAOYSA-N 432.542 3.966 0 40 IHAB O=C(c1ccc(Cl)cc1)N(Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 9292199 DCFPELMTUFWMMS-QGZVFWFLSA-N 442.762 3.932 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cncn1-c1ccc(F)cc1 9378468 WCPIGRFDKVSZLN-UHFFFAOYSA-N 443.485 3.521 0 40 IHAB COC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1cc(OC)c(OC)c(OC)c1 9646350 RMPINAGDBVERAP-UHFFFAOYSA-N 437.495 3.515 0 40 IHAB CCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3C)nc2O)cc1 9939072 OJWWLRCDJDPSOQ-UHFFFAOYSA-N 443.550 3.617 0 40 IHAB Cc1ccc(NC(SCCOc2ccccc2)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1C 9973820 UZWPPLBXLPDJIH-UHFFFAOYSA-N 439.537 3.790 0 40 IHAB CCOC(=O)[C@H]1CCCCN1C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C 10407730 WMPOVBWXTZMZLK-GOSISDBHSA-N 444.601 3.816 0 40 IHAB CCc1ccc(-c2csc(NC(=O)[C@H](C)OC(=O)[C@H]3CCCN(C(C)=O)C3)n2)cc1 10744977 FZHHNBWFCDULLB-KSSFIOAISA-N 429.542 3.501 0 40 IHAB CCOc1ccc(C(=O)OCC(=O)Nc2cc(Cl)c(OC)cc2OC)cc1OCC 11358728 MGDZLABTNYORSE-UHFFFAOYSA-N 437.876 3.950 0 40 IHAB CCOC(=O)Nc1ccc2c(COC(=O)c3cc(O)nc4ccccc34)cc(=O)oc2c1 11460098 LXIZIMJKVQVRRJ-UHFFFAOYSA-N 434.404 3.972 0 40 IHAB COc1ccc(Nc2nc(Nc3ccc(OC)cc3Cl)nc(N3CCOCC3)n2)cc1 11613424 KSGQGEQYBBKIQO-UHFFFAOYSA-N 442.907 3.866 0 40 IHAB COc1cccc(-n2ccnc2N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c1 11695676 XCTNWQYJXZQTEU-UHFFFAOYSA-N 430.430 3.862 0 40 IHAB Cc1ccc(-c2cc(C(=O)N(Cc3ccc(F)cc3)[C@@H]3CCS(=O)(=O)C3)no2)cc1 11917517 ZWTLBKHYZGVUPO-LJQANCHMSA-N 428.485 3.619 0 40 IHAB CS(=O)(=O)N(CC(=O)N1CCC[C@@H](c2cc3ccccc3cn2)C1)c1ccccc1F 12188156 LGNFVFQJRTXTAI-LJQANCHMSA-N 441.528 3.546 0 40 IHAB COc1ccc(C(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3c2cc(-c3ccc(F)cc3)nn2C)cc1 12602109 XNQKIMQOJHGNIR-WPYKKVEZSA-N 448.542 3.843 0 40 IHAB biogenic,in-vitro Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)NC[C@H](c1ccccc1Cl)N(C)C 12736068 SFZPRYZPAAEVSE-HXUWFJFHSA-N 427.980 3.899 0 40 IHAB CCOc1ccc(CCNC(=O)[C@@H]2CC(=O)N(c3ccccc3OCC)C2)cc1OCC 12851520 HWNSJSNISLQGHU-LJQANCHMSA-N 440.540 3.595 0 40 IHAB Cc1c(C(=O)N(C)CC(=O)Nc2cccc(F)c2)cnn1-c1ccc(Br)cc1 12883605 YPGKCHXBIDAOPX-UHFFFAOYSA-N 445.292 3.793 0 40 IHAB O=C(c1cc(S(=O)(=O)N2CCCC2)ccc1Br)N1CCCc2ccccc21 12939811 DNYKIAYMWGAGNN-UHFFFAOYSA-N 449.370 3.827 0 40 IHAB C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)Nc3ccc4c(c3)CCC4)ccc2Cl)C[C@@H](C)O1 13100986 ZMKVWPWSVYLSEZ-HUUCEWRRSA-N 448.972 3.879 0 40 IHAB CCOc1ccccc1CCCNC(=O)c1ccc(C)c(S(=O)(=O)N2CCCC2)c1 13646509 XMHSBVUGVQEPQS-UHFFFAOYSA-N 430.570 3.541 0 40 IHAB O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1ccc(Br)cc1C(=O)O 16401343 BPWFIZRBTIIPGW-UHFFFAOYSA-N 427.707 3.856 0 40 IHAB CC(C)NC(=O)CNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1 17810052 UGJBTGYSTMNCHS-UHFFFAOYSA-N 445.498 3.540 0 40 IHAB Cc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@H](O)c3ccc(NC(=O)C4CC4)cc3)CC1)O2 19219262 CWBYIGABAUUDPH-PKTZIBPZSA-N 436.552 3.728 0 40 IHAB O=C(C1CCCC1)N1CCC(c2cc3nc4c(c(O)n3n2)CN(C2CCCC2)CC4)CC1 19292141 AESLZMUTEPDKBN-UHFFFAOYSA-N 437.588 3.632 0 40 IHAB Cc1cc(Cc2ccc(F)cc2)cc(C2CCN(CC(=O)Nc3cnn(C)c3C)CC2)n1 19691706 QDDLSAAZXNPIIU-UHFFFAOYSA-N 435.547 3.980 0 40 IHAB Cc1nc([C@H]2CCCCN2Cc2cccnc2)nc2c1CCC(=O)N2Cc1ccccn1 19695801 FEXHTFLUDUYSSF-JOCHJYFZSA-N 428.540 3.782 0 40 IHAB Cc1nc(C)c(C(=O)N2CCO[C@H](c3cc(C(=O)NC(C)C)c4ccccc4n3)C2)s1 19759434 IQUUCDMVJPHIHG-FQEVSTJZSA-N 438.553 3.660 0 40 IHAB Cc1nc(C2CCN(C(=O)c3[nH]c4ccc(F)cc4c3C)CC2)ncc1C(=O)N1CCCC1 19766526 QBCDHEWKMUFYLQ-UHFFFAOYSA-N 449.530 3.970 0 40 IHAB COc1ccc(CN2CCN(c3ncc4c(n3)C[C@@H](c3ccccc3)CC4=O)CC2)cc1 20502840 UDQHBQBZNCWDGE-OAQYLSRUSA-N 428.536 3.720 0 40 IHAB CCn1c(=O)c(C)nc2cc(C(=O)N3CCN(Cc4cccc5ccccc45)CC3)ccc21 22287035 CJBFBKVASCGRFH-UHFFFAOYSA-N 440.547 3.836 0 40 IHAB Cc1[nH]c(C(=O)Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)c(C)c1C(=O)OC(C)C 22301149 GBJYBKTUHXJQLO-STQMWFEESA-N 434.562 3.515 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(F)cc2)c2cccc(C)c2)cc1 22430196 LAXPECNUKVZJTR-UHFFFAOYSA-N 426.513 3.954 0 40 IHAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3Cc3nc(-c4ccccc4C)no3)C2=O)cc1Cl 23126512 OYJYMSCVYWPSLS-MSOLQXFVSA-N 436.859 3.500 0 40 IHAB C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)c1ccc2c(c1)C(=O)N(C)C2=O 24504637 UELFFBOJHXLIOS-MRXNPFEDSA-N 441.487 3.998 0 40 IHAB CS(=O)(=O)c1cccc(S(=O)(=O)N(Cc2ccc(F)cc2)C2CCCCC2)c1 24755088 IAHVABLFNFGFAP-UHFFFAOYSA-N 425.547 3.753 0 40 IHAB Cc1ccc(NC(=O)CSc2nnc(-c3cccc(Br)c3)n2N)c(C)c1 24944235 AEGMIEGFNTUGBC-UHFFFAOYSA-N 432.347 3.769 0 40 IHAB O=C(CCCn1cnc2ccccc2c1=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 25058449 RVMQWLNTVHMRGR-UHFFFAOYSA-N 438.959 3.611 0 40 IHAB C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl 25339555 SCMZQHMXWPXBIX-LBPRGKRZSA-N 438.837 3.797 0 40 IHAB CCOC(=O)NC(=O)COC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3)c2s1 28696613 CTINJFBCYXVMGN-UHFFFAOYSA-N 435.889 3.537 0 40 IHAB COc1ccc(OC)c(CN2CCN(C(=O)c3cnn(-c4ccccc4)c3C3CC3)CC2)c1 29983993 PFXDCKYJGRBYMX-UHFFFAOYSA-N 446.551 3.725 0 40 IHAB O=C(NCc1ccc(Cn2ccnc2)cc1)[C@@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21 30220215 CIMKWUNYIUPVJC-RPWUZVMVSA-N 442.563 3.943 0 40 IHAB Cc1nc(NC(=O)[C@@H]2CCCN(C(=O)c3ccoc3)C2)sc1-c1nccn1C(F)F 32764581 USGLEBKJHAZTEE-GFCCVEGCSA-N 435.456 3.794 0 40 IHAB C[C@@H](O)CCc1ccc(OCC(=O)Nc2cccc(I)c2)cc1 32913379 VQLCPUYQHOMLQN-CYBMUJFWSA-N 425.266 3.622 0 40 IHAB COc1cccc(CO[C@@H](C)C(=O)N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)c1 40154580 YWBGIDDHVDQMOK-INIZCTEOSA-N 429.492 3.552 0 40 IHAB COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)N[C@H](C)c1cc2ccccc2o1 58202173 USGQALWKOYODFS-CYBMUJFWSA-N 429.498 3.765 0 40 IHAB CC[C@](C)(CNC(=O)Nc1cc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)ccc1C)N1CCOCC1 58405251 GGHXKRDKCXAJAU-HHJKRLRDSA-N 444.620 3.736 0 40 IHAB COc1ccc([C@H]2Nc3ccccc3C(=O)N2CC(=O)Nc2ccc(NC(C)=O)cc2)cc1 61719136 KFCHBMQBDVDPKW-DEOSSOPVSA-N 444.491 3.859 0 40 IHAB COc1cccc(NC(=O)CSc2nnc(-c3cc4c(cc3C)OCCCO4)n2C)c1 64987126 CFSOAXXQZSESFD-UHFFFAOYSA-N 440.525 3.691 0 40 IHAB O=C(C1CCOCC1)N1CCCCC[C@@H]1C1CCN(c2nccc(C(F)(F)F)n2)CC1 69779075 MGSBCFCOVXYALC-GOSISDBHSA-N 440.510 3.910 0 40 IHAB O=C(O)[C@@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1ccc(Cl)c(Cl)c1 71980616 GRRLZPPUIHXKRY-IBGZPJMESA-N 449.334 3.911 0 40 IHAB CCn1ncc(C)c1C(=O)N1CCC(c2nc(NC3CC3)ncc2-c2cc(C)no2)CC1 72337695 OXTKECVEKPXXSE-UHFFFAOYSA-N 435.532 3.559 0 40 IHAB CCCN1CCN(Cc2cccnc2N(C)C)[C@H](Cc2cccc(-c3cccnc3)c2)C1=O 72351755 GCLLBMNKZDJVIX-RUZDIDTESA-N 443.595 3.875 0 40 IHAB CCOc1cc(CN2CCC([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)CC2)ccc1OC 72395703 YRGLRXYAJZXFQA-QFBILLFUSA-N 439.482 3.885 0 40 IHAB CCCOc1ccc(O[C@@H]2CCCC[C@H]2NC(=O)c2cnc3ccc(C)cn3c2=O)cc1 78814437 GBLOGLAVEUQFBT-FGZHOGPDSA-N 435.524 3.912 0 40 IHAB O=C(NCC1(c2ccc(Cl)cc2Cl)CCOCC1)N1CCC2(CC1)OCCO2 84341487 JREMJPWLOUGMHG-UHFFFAOYSA-N 429.344 3.590 0 40 IHAB Cc1nn(-c2ccc(C(=O)N3CCN(CCOc4ccccc4)CC3)cc2)c(C)c1Cl 89520875 PXLBYUXHJQZVEB-UHFFFAOYSA-N 438.959 3.979 0 40 IHAB COc1ccc2c(C)c(CCC(=O)N[C@H](Cc3ccccc3)Cc3c[nH]cn3)c(=O)oc2c1 89568295 WCYSFFOHDFRCAB-LJQANCHMSA-N 445.519 3.736 0 40 IHAB Cc1cc(NC(=O)c2cc(Cl)c3cc(Cl)ccc3n2)n([C@@H]2CCS(=O)(=O)C2)n1 96006684 RHPGQTWHJLMSCF-GFCCVEGCSA-N 439.324 3.658 0 40 IHAB O=C(CCNS(=O)(=O)c1c(F)cccc1F)NCc1ccccc1-c1ccsc1 96122908 YTJZGBHXGPCUKW-UHFFFAOYSA-N 436.505 3.678 0 40 IHAB COc1cccc(NC(=O)c2ccc3nnc([C@@H]4CCN(Cc5ccccc5)C4)n3c2)c1 96156170 PMLXVHAFMQGSNT-LJQANCHMSA-N 427.508 3.980 0 40 IHAB Cc1cc(O)n2nc(C3CCN(C(=O)c4ccc(Cc5c(C)noc5C)o4)CC3)cc2n1 100137511 WOOKFXHPSLSZEZ-UHFFFAOYSA-N 435.484 3.552 0 40 IHAB CN(C(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1)C1CCCC1 216490708 MUXNJBCKZJFZCP-HNNXBMFYSA-N 433.401 3.936 0 40 IHAB CC[C@@H](C(=O)NCCSCc1ccccc1F)N(c1ccc(C)cc1)S(C)(=O)=O 219098090 KDFMFIGHACTZNP-FQEVSTJZSA-N 438.590 3.728 0 40 IHAB CC[C@@H](C(=O)N[C@@H](C)COc1ccc(C)cc1)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220583024 SGYALHDJEDWOQT-UGKGYDQZSA-N 432.586 3.740 0 40 IHAB CC[C@@H](C(=O)Nc1ccc(OC)cc1)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 220745616 KBRVAWPGYSWGAK-KRWDZBQOSA-N 426.922 3.541 0 40 IHAB O=C(Nc1nnc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)s1)c1ccccc1 222712497 DIZVKENTLAETSI-UHFFFAOYSA-N 428.417 3.610 0 40 IHAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc2c(c1)OCO2 222726501 ZFUXYDMLXWICFX-ZDUSSCGKSA-N 437.323 3.818 0 40 IHAB CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccc(C)cc1 223030569 VUYUBMYEFKSFJM-MRXNPFEDSA-N 433.346 3.690 0 40 IHAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1C(=O)N1CCCCC1 223189073 DONRKJHTSZMCQG-KRWDZBQOSA-N 442.581 3.850 0 40 IHAB O=C(NCCCO)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 223205282 PYUUSWXDVMDSJT-VWLOTQADSA-N 448.538 3.507 0 40 IHAB CSc1ccc(S(=O)(=O)N2CCC(C(=O)NCCSC3CCCC3)CC2)cc1 223292183 MHIRCEQHGOUZRD-UHFFFAOYSA-N 442.672 3.601 0 40 IHAB Cc1ccc(N(CCCC(=O)NCCOc2cccc(C)c2C)S(C)(=O)=O)cc1C 223927207 ZSZKBBPQCRUSFV-UHFFFAOYSA-N 432.586 3.662 0 40 IHAB Cc1ccc(C)c(N(CCCC(=O)NCCOc2ccccc2Cl)S(C)(=O)=O)c1 224149838 UVSODHQYNAEPRX-UHFFFAOYSA-N 438.977 3.698 0 40 IHAB COC(=O)c1cc(S(=O)(=O)N[C@@H]2CC(C)(C)Oc3cc(OC)ccc32)ccc1Cl 224157697 NWRRHAGLDZFVGN-QGZVFWFLSA-N 439.917 3.716 0 40 IHAB CCN1c2cc(OC)c(OC)cc2C(C)=C(C(=O)NC[C@@H](C)c2ccccc2)S1(=O)=O 224582773 WIYJICRDCZBBAN-OAHLLOKOSA-N 444.553 3.524 0 40 IHAB CS(=O)(=O)N(CC(=O)Nc1ccc(N2CCCC2)cc1)c1ccc(C(F)(F)F)cc1 224929180 MRWIPPJODWWIQJ-UHFFFAOYSA-N 441.475 3.710 0 40 IHAB CC[C@@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)COc1ccc(OC)cc1 224941696 VMHAFPVPPSFPTC-QHCPKHFHSA-N 426.557 3.696 0 40 IHAB CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccc(C)c(C)c1 225460747 QEWCDNAXELIYSJ-MRXNPFEDSA-N 433.346 3.608 0 40 IHAB CC[C@@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccc(OC)c(C)c1 225609116 VBAOYPHMPDAOSA-JOCHJYFZSA-N 444.597 3.813 0 40 IHAB O=C(CSc1nc2ccccc2s1)NCCN1Cc2cc(Cl)ccc2OCC1=O 225771755 VPGOBNCZLCOVRF-UHFFFAOYSA-N 447.969 3.579 0 40 IHAB COc1cc(N2CCN(c3ccccc3)CC2)nc(NC(=S)N[C@H](C)c2ccccc2)n1 225957298 ASLHZCNXSOCIRV-GOSISDBHSA-N 448.596 3.859 0 40 IHAB Cc1cc(N(C)C)nc([C@]2(C)CCCN(C(=O)C3(Cc4ccccc4)CCOCC3)C2)n1 257231697 GHWSDWJXGVJQRZ-RUZDIDTESA-N 436.600 3.771 0 40 IHAB Cc1cc(C)n(CC(=O)N2CCCC[C@@H]2c2ncc(Cc3ccccc3Cl)o2)c(=O)n1 257263322 LPHVTOVPSVPPQR-HXUWFJFHSA-N 440.931 3.846 0 40 IHAB CCOc1ccccc1N(CC(=O)N[C@H](CC)c1ccc2c(c1)CCCC2)S(C)(=O)=O 260935030 OERDPTLYTBJFFZ-OAQYLSRUSA-N 444.597 3.998 0 40 IHAB Cc1ccc(NC(=O)COC(=O)CCS(=O)(=O)c2cc(Cl)ccc2Cl)c(C)c1 408645891 NFQSYEVWWFHRMM-UHFFFAOYSA-N 444.336 3.956 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(C)cc2C)cc1 408666013 NCTCFMHPEBARME-UHFFFAOYSA-N 440.496 3.771 0 40 IHAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3COc4ccccc4O3)cc2)cc1C 408927184 TVRURPUWWUDJOE-QFIPXVFZSA-N 438.505 3.883 0 40 IHAB COc1ccc(C)cc1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1 409005438 ZYTUSUJBVAQXQZ-QFIPXVFZSA-N 438.549 3.840 0 40 IHAB Cc1ccc(-c2nn(CC(=O)Nc3sc4c(c3C(N)=O)CCCC4)c(=S)o2)cc1 409155223 QBGRBIJVTDWNDI-UHFFFAOYSA-N 428.539 3.859 0 40 IHAB CCc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3Cl)n2C)cc1 409343348 GXIAETZBPGKTCU-UHFFFAOYSA-N 443.960 3.692 0 40 IHAB Cc1sc(-n2cnnn2)c(C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)c1C 526052600 RXFSPIKYCDHVIL-IBGZPJMESA-N 443.536 3.931 0 40 IHAB C[C@]1(c2cccc(CNC(=O)N3CCCCC[C@H]3/C=C/c3ccccc3)c2)NC(=O)NC1=O 1252746980 CGIHTNVIZAIGLK-WFDXBIBDSA-N 446.551 3.909 0 40 IHAB COc1ccc(Br)cc1[C@H]1CCCN1C(=O)[C@H]1CC(c2ccccn2)=NO1 1544716665 YDJJNKMCZDVKHH-IEBWSBKVSA-N 430.302 3.709 0 40 IHAB O=C(CSc1nnnn1-c1ccccc1)Nc1nsc(-c2ccc(Cl)cc2)n1 1805650 XYCPVZWZTAVBMS-UHFFFAOYSA-N 429.918 3.565 0 40 IHAB aggregator O=C(CCn1nc(-c2ccccc2)c2ccccc2c1=O)N1CCN(c2ccccc2)CC1 2260235 RIGDAINVCIEPLR-UHFFFAOYSA-N 438.531 3.802 0 40 IHAB COc1ccc(NC(=O)/C=C/c2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)cn1 6144280 OSWJSZMEUBXIPX-UKTHLTGXSA-N 439.493 3.552 0 40 IHAB CS(=O)(=O)NCCc1ccc(C(=O)Nc2nc(-c3ccccc3Cl)cs2)cc1 8709247 XBFGWORSNOHGFV-UHFFFAOYSA-N 435.958 3.808 0 40 IHAB CC(C)c1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)s1 8776474 JFKRUVAEUFRJEG-UHFFFAOYSA-N 428.539 3.665 0 40 IHAB COc1ccc(-n2c(=O)c(CCC(=O)N3CCc4ccccc43)nc3ccccc32)cc1 8825550 UECHGTOHBLVPRA-UHFFFAOYSA-N 425.488 3.916 0 40 IHAB CCCCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(NC(C)=O)cc3C)ccc21 8840776 QCLHCXRPTDNAAG-UHFFFAOYSA-N 429.542 3.834 0 40 IHAB O=C(CSc1nnnn1-c1ccccc1)N1N=C(c2cccs2)C[C@@H]1c1ccco1 8966214 BXLYMHSUYNGCCS-MRXNPFEDSA-N 436.522 3.787 0 40 IHAB CN1C(=O)C(C)(C)COc2cc(NS(=O)(=O)c3ccc(Br)cc3)ccc21 9165559 UIOKMFQIQYPZDD-UHFFFAOYSA-N 439.331 3.631 0 40 IHAB CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)c(C)c1 9170189 SCWCFKTZNXWZIB-UHFFFAOYSA-N 445.541 3.526 0 40 IHAB COc1ccc([C@H](NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c2ccccc2)cc1 9257312 SYOICYUBRPBGES-XMMPIXPASA-N 436.533 3.890 0 40 IHAB COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2cc(Br)ccc2OC)cc1 9441368 UAAZODLOVPWVQC-SFHVURJKSA-N 446.301 3.733 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccc2C(F)(F)F)c1 9491432 MEDMVSNHCROBSG-UHFFFAOYSA-N 430.448 3.997 0 40 IHAB CNC(=O)c1ccc(CN(C)C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1 9502411 RIIFFRRPZMYFNR-UHFFFAOYSA-N 425.492 3.566 0 40 IHAB O=C(Nc1ccc2c(c1)OCO2)C(=O)c1cn(CC(=O)N2CCCCCC2)c2ccccc12 9519475 NOCNIJKRMUOTRG-UHFFFAOYSA-N 447.491 3.594 0 40 IHAB O=C(CSc1nnc(NC[C@H]2CCCO2)s1)N1CCC(Cc2ccccc2)CC1 9864100 LZXATRFIXVPVDY-GOSISDBHSA-N 432.615 3.702 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)[C@H](C)N(c1cc(Cl)ccc1C)S(C)(=O)=O 10370030 WDCQCGXMBSPHQC-AWEZNQCLSA-N 438.933 3.618 0 40 IHAB COc1ccc(NC(=O)COC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c(OC)c1 10728862 DVQRVLLFGJOCHZ-NSHDSACASA-N 428.268 3.960 0 40 IHAB COc1cc(OC)cc([C@@H](NS(=O)(=O)c2ccc3ccccc3c2)c2nccn2C)c1 10747168 LPTSGMHWYMKJQS-JOCHJYFZSA-N 437.521 3.658 0 40 IHAB Cc1oc2cc3oc(=O)c(CC(=O)N[C@H](Cc4ccc(O)cc4)C(=O)O)c(C)c3cc2c1C 11867584 PDGLCBLDBVYUDT-HXUWFJFHSA-N 449.459 3.525 0 40 IHAB biogenic Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)c(C)c1 12536225 ARFSMKOOTFFJRK-UHFFFAOYSA-N 427.492 3.875 0 40 IHAB CCOC(=O)C[C@@H](c1ccc(F)cc1)C1CCN(C(=O)[C@@H](C)NC(=O)C(C)(C)C)CC1 12732275 UADLYMZFDNKRCW-UZLBHIALSA-N 434.552 3.652 0 40 IHAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3ccc(F)cc3F)c12 12751661 NNHPQXNBUDMEBI-AWEZNQCLSA-N 446.479 3.507 0 40 IHAB CCc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@@H]2CCS(=O)(=O)C2)cc1 12808072 BOWUPNWPWMRZNS-GOSISDBHSA-N 438.553 3.791 0 40 IHAB COc1ccc(Br)cc1/C=C1\N=C(c2ccc(N3CCCC3=O)cc2)OC1=O 12824437 JMIFQXNLLUFWQC-ATVHPVEESA-N 441.281 3.929 0 40 IHAB CCCN(Cn1nc(-c2ccc(C(C)(C)C)cc2)n(C)c1=S)[C@@H]1CCS(=O)(=O)C1 12889502 QKKRZVGISCVKGV-GOSISDBHSA-N 436.647 3.772 0 40 IHAB CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)c3ccccc3)CC2)cc1 12983248 SBLLWHCUPHKUNN-LJQANCHMSA-N 442.581 3.696 0 40 IHAB C[C@@H]1Cc2cc(C(=O)N(C)Cc3ccc(Cl)c(Cl)c3)ccc2N1S(C)(=O)=O 12993567 ZLCHLAISLNJNQV-GFCCVEGCSA-N 427.353 3.976 0 40 IHAB CC1=C(C(=O)N2CCOCC2)[C@@H](c2c(F)cccc2Cl)NC(=O)N1Cc1ccccc1 13120742 KEAMWUQWWCNCRT-NRFANRHFSA-N 443.906 3.878 0 40 IHAB CCc1ccc(CN(C(=O)COc2ccc(Cl)cc2C)[C@H]2CCS(=O)(=O)C2)cc1 13513660 GHXIYYWRSTUPLT-FQEVSTJZSA-N 435.973 3.806 0 40 IHAB CC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1nnc(-c2cccs2)n1C1CC1 14077365 PUGLGIQIDCTLQL-KRWDZBQOSA-N 426.567 3.750 0 40 IHAB COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)NCCCN2CCCC2=O)c1 14247712 YDKLFSOKVSELNV-UHFFFAOYSA-N 432.524 3.599 0 40 IHAB O=C(CCc1nc(-c2ccccc2)no1)Nc1c(C(=O)N2CCOCC2)oc2ccccc12 14672495 GCVJMNQLJDGVMU-UHFFFAOYSA-N 446.463 3.527 0 40 IHAB COc1ccc(OC)c(NC(=O)C[C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)c1 15390744 VCEZQAPRFPVBIH-QGZVFWFLSA-N 432.542 3.584 0 40 IHAB CS(=O)(=O)N1CCCc2cc(C(=O)N3CCC[C@H]3c3nc4ccccc4s3)ccc21 15599813 BQLNWMSBHRYWKW-IBGZPJMESA-N 441.578 3.986 0 40 IHAB COc1cc(/C=C/C(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)cc(Cl)c1OC 16112253 BVNQTEFCQGNMOY-BQYQJAHWSA-N 444.915 3.953 0 40 IHAB CC(=O)N[C@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@H]2CC[C@@]2(C)[C@@H]3C[C@@H](NC(C)=O)[C@@H]2OC(C)=O)C1 16956620 XPIBCNBRWGFJER-COCOZHNXSA-N 432.605 3.580 0 40 IHAB CCn1c(CC(=O)Nc2cccc(C)c2C)nnc1SCC(=O)Nc1cccc(O)c1 18210569 SLPYUTFSOUYSJM-UHFFFAOYSA-N 439.541 3.532 0 40 IHAB Cc1cc(-c2cnc(NC3CC3)nc2C2CCN(C(=O)Cc3ccccc3O)CC2)on1 19122884 UTSMSECOOQLPML-UHFFFAOYSA-N 433.512 3.669 0 40 IHAB CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)[C@H]2CCCCO2)C1 19448747 JZDBTRBRGKZLAN-SHQCIBLASA-N 449.595 3.994 0 40 IHAB Cc1cc(C)cc(O[C@@H](C)C(=O)N2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)c1 19569702 FBAAOHBZMNOHEU-PBWTXFEYSA-N 433.503 3.591 0 40 IHAB Cc1noc(CCC(=O)N2CCC[C@@H]2c2nc(N(C)C)ncc2-c2cccc(Cl)c2)n1 19689901 MGSOSRSVJXRYCV-GOSISDBHSA-N 440.935 3.851 0 40 IHAB Cc1cccc(Cc2cc(C)nc([C@@H]3CCCN3C(=O)CCN3C(=O)NC(C)(C)C3=O)c2)c1 19692079 GWMPYVAPCYEBKQ-QFIPXVFZSA-N 448.567 3.673 0 40 IHAB COc1ccc(C)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 19860837 AXKLXASQBUJHGA-KRWDZBQOSA-N 436.961 3.838 0 40 IHAB CCC(C)(C)n1nnnc1[C@H](c1ccc(OC)cc1)N1CCN(C2CCCCC2)CC1 20140039 IYHSVYSADCDNGI-QFIPXVFZSA-N 426.609 3.867 0 40 IHAB CCN1CCN(c2c(S(=O)(=O)c3ccc(C)c(C)c3)cnc3ccc(F)cc23)CC1 20381981 NQZCPBKSHZHYDA-UHFFFAOYSA-N 427.545 3.965 0 40 IHAB COc1cc(OC)c(-n2nnc(-c3nsc(NC(=O)c4ccco4)n3)c2C)cc1Cl 20848807 OSPGQNSJVGXJAG-UHFFFAOYSA-N 446.876 3.610 0 40 IHAB Cc1ccc(-n2c(SCc3nn4c(=O)cc(C)nc4s3)nc3ccccc3c2=O)cc1 20961541 KTLKGIKCSLDLBH-UHFFFAOYSA-N 447.545 3.759 0 40 IHAB Cc1cc(=O)n2nc(CSc3nc4ccccc4c(=O)n3C3CCCC3)sc2n1 22038836 PVIWDFWOVHYJLM-UHFFFAOYSA-N 425.539 3.577 0 40 IHAB COC(=O)c1ccccc1NC(=O)CN(c1ccccc1F)S(=O)(=O)c1cccs1 22381640 STQTXQYJZKNYKT-UHFFFAOYSA-N 448.497 3.508 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(F)cc2)c2ccccc2C)cc1 22430119 BTIIIBYEYWMAAT-UHFFFAOYSA-N 426.513 3.954 0 40 IHAB C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1CCN(CCOc2ccccc2)CC1 22919187 OIBIZCRKBUIAAR-JOCHJYFZSA-N 436.600 3.701 0 40 IHAB CCCC(=O)Nc1ccc(C(=O)Cn2nnc(-c3ccc(Br)cc3)n2)cc1 23074467 HEJUUZVNIYTWJD-UHFFFAOYSA-N 428.290 3.724 0 40 IHAB Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N3CCN(Cc4ccccc4)CC3)c12 24361350 OOJXOBGBDHGQQD-UHFFFAOYSA-N 431.565 3.963 0 40 IHAB CN(Cc1nc2ccccc2c(=O)[nH]1)Cc1nc2scc(-c3cccs3)c2c(=O)[nH]1 25286377 RQKNDEQZBSIPJB-UHFFFAOYSA-N 435.534 3.582 0 40 IHAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)C[C@H]1c2ccccc2C=CN1C(C)=O)CC3 25453709 DJHLUAGIPJWDID-DEOSSOPVSA-N 443.503 3.803 0 40 IHAB COc1ccc([C@@H]2CCCN2C(=O)CCN2C(=O)CSc3ccccc32)c(OC)c1 32744741 NNGWWXCUGYXOCZ-SFHVURJKSA-N 426.538 3.896 0 40 IHAB COC(=O)Nc1snc(C)c1C(=O)N(C)Cc1cc(Br)ccc1OC 32797100 OFAVZRDLTKXATE-UHFFFAOYSA-N 428.308 3.673 0 40 IHAB O=C(CSc1nc2ncccc2c(=O)n1-c1ccccc1)NC12CC3CC(CC(C3)C1)C2 32876513 BUFRLUQZIDOKOU-UHFFFAOYSA-N 446.576 3.958 0 40 IHAB O=S(=O)(Nc1ccc(I)cc1)c1ccccc1OC(F)(F)F 32895333 QRPFKMAHPGQVBU-UHFFFAOYSA-N 443.184 3.991 0 40 IHAB Cc1c(C(=O)Nc2cccc(S(=O)(=O)Nc3ccc(Br)cc3)c2)cnn1C 32906327 WKEZEHNQLIPHTF-UHFFFAOYSA-N 449.330 3.544 0 40 IHAB COc1ccc([C@H](CNC(=O)C(C)(C)Oc2ccc(Cl)cc2)N2CCOCC2)cc1 32969224 FOJGEOKQZCOZRR-NRFANRHFSA-N 432.948 3.696 0 40 IHAB Cc1ccc2nc(COc3cccc(NC(=O)COc4ccccc4C)c3)cc(=O)n2c1 33068147 WWFLRMJSYYWPIL-UHFFFAOYSA-N 429.476 3.908 0 40 IHAB O=C1CSc2sc3c(=O)n(C[C@@H](c4ccc(Cl)cc4)N4CCCC4)cnc3c2N1 35671686 JBVLSAIMNBYMSH-AWEZNQCLSA-N 446.985 3.993 0 40 IHAB CCCN(C(=O)Cn1nc(C(F)F)c2c1CCC2)c1nc(C)c(C(=O)OCC)s1 36614104 ONPXVPXWVJGDHA-UHFFFAOYSA-N 426.489 3.694 0 40 IHAB CCCNS(=O)(=O)c1ccc(OCC(=O)NC(c2ccccc2)c2ccccc2)cc1 39985457 UBYRNAXKGFSANZ-UHFFFAOYSA-N 438.549 3.660 0 40 IHAB CC1CCN([C@@H](CNC(=O)CSc2nncn2-c2cccc(Cl)c2)C(C)C)CC1 40107984 CFRWTKXCSBKMJA-IBGZPJMESA-N 436.025 3.886 0 40 IHAB COc1ccc(C(=O)Nc2cc(C(=O)OCc3cc(=O)n4oc(C)cc4n3)ccc2C)cc1 41089571 DQVOJFRPONWDSM-UHFFFAOYSA-N 447.447 3.522 0 40 IHAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 44899722 IDDDOEDWBCYLMC-CQSZACIVSA-N 431.901 3.942 0 40 IHAB CC(C)OC(=O)Cc1nc(CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cs1 48324981 QQBPUGXGRMCYAH-UHFFFAOYSA-N 442.507 3.763 0 40 IHAB Cc1cc(F)ccc1NC(=O)Cn1c(=O)n(-c2cccc(Cl)c2)c(=O)c2sccc21 57491611 HECUMBYHIUFFMQ-UHFFFAOYSA-N 443.887 3.954 0 40 IHAB O=C(Cn1ncn2nc(-c3cccc4ccccc34)cc2c1=O)Nc1ccc2c(c1)CCC2 67208674 KLKWPNQRNPGTJA-UHFFFAOYSA-N 435.487 3.839 0 40 IHAB COc1ccccc1OCCN1C(=O)[C@](O)(CC(=O)c2ccc(C)cc2)c2ccccc21 68713303 WOHVPHFJPOPMCF-SANMLTNESA-N 431.488 3.890 0 40 IHAB Cc1ccc([C@@H]2CCCN2C(=O)c2cccn(CC(=O)Nc3nccs3)c2=O)cc1C 72344592 YTUXFDBBIIIECC-IBGZPJMESA-N 436.537 3.538 0 40 IHAB CN(C)c1ncc(CN2CC[C@@H](c3cc(CCOc4ccc(Cl)cc4)n[nH]3)C2)cn1 72371488 QLIBHXVORAXFIP-QGZVFWFLSA-N 426.952 3.530 0 40 IHAB CCn1cc(S(=O)(=O)N2CCC[C@H](c3cc(Nc4ccccn4)cc(C)n3)C2)c(C)n1 72375001 DCRUACBOHFSRNX-SFHVURJKSA-N 440.573 3.622 0 40 IHAB O=C(N1CCC([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)CC1)C1(c2ccc(F)cc2)CC1 72395620 BBFIDWOHPHOBOD-DLBZAZTESA-N 437.441 3.675 0 40 IHAB Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)N1CCCCC[C@H]1CC(=O)c1ccccc1 79045208 XOYWSKZHRRTAAP-NRFANRHFSA-N 444.535 3.727 0 40 IHAB CCc1c(C)nc2n(c1=O)C[C@H](C(=O)NCc1ccc(OCc3ccccc3)cc1)CS2 90609855 XRUSYTSMXPRUCV-FQEVSTJZSA-N 449.576 3.731 0 40 IHAB COc1cccc(OC[C@H](O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)c1 95117153 ZHUXRTUSBISOBN-HXUWFJFHSA-N 445.512 3.778 0 40 IHAB CCOc1ccc2c(c1)[C@H](C)CC(C)(C)N2S(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 95944079 HXXFERJCBLCPIV-OAHLLOKOSA-N 433.574 3.607 0 40 IHAB O=S(=O)(c1ccc(Cl)cc1)N1CCOC[C@H](Oc2ccc(C(F)(F)F)cc2)C1 96296477 ZPKJGLUYKKZLLK-MRXNPFEDSA-N 435.851 3.827 0 40 IHAB biogenic,in-vitro COc1cc(C(=O)N2CCC[C@H]2c2nc(-c3ccc(F)cc3)no2)cc(OC)c1OC 98212210 HFGCSNSXQRMMIP-INIZCTEOSA-N 427.432 3.879 0 40 IHAB COc1ccc(C)cc1N(CC(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2)S(=O)(=O)c1ccc(C)cc1 100610445 DXDYIXHWLVOUSY-SFHLNBCPSA-N 442.581 3.812 0 40 IHAB Oc1cccc2c1C[C@H]1C[C@H]2CN(c2nc(N3CCCCC3)nc(N3CCCCC3)n2)C1 107128003 XDHBZEJEDDNRFJ-MOPGFXCFSA-N 434.588 3.724 0 40 IHAB O=C(COC(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1)Nc1ccc(F)cc1 111882537 GQWGGBZSOGGIEH-NSHDSACASA-N 425.243 3.667 0 40 IHAB COc1cc(NC(=O)c2cc3c(N4CCSCC4)nc(C)cn3n2)c(OC)cc1Cl 169768679 AFCHZVLONZVVQK-UHFFFAOYSA-N 447.948 3.514 0 40 IHAB Cc1ccc(OCCNC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)cc1 218798448 WURGTGVAQWBOTF-UHFFFAOYSA-N 430.551 3.690 0 40 IHAB COc1ccc(Cl)cc1N([C@@H](C)C(=O)NCc1ccc2ccccc2c1)S(C)(=O)=O 222774196 KEOFODZBTCCJLD-HNNXBMFYSA-N 446.956 3.973 0 40 IHAB CC[C@H](NC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C)c1ccc2c(c1)CCCC2 223091048 FLZJMJNCGGOVRR-NRFANRHFSA-N 447.576 3.585 0 40 IHAB COc1cc(C(=O)NC2CCCC2)c(N(C)S(=O)(=O)c2ccc(C)cc2)cc1OC 223391832 GEADKAGHQZFGIJ-UHFFFAOYSA-N 432.542 3.510 0 40 IHAB CC(C)c1ccc(N(CC(=O)NCCOc2cccc3ccccc23)S(C)(=O)=O)cc1 223518048 GLUQDEFBHOHHET-UHFFFAOYSA-N 440.565 3.924 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(N3CCCC3)cc2)cc1C(=O)N1CCCCC1 224913737 GHKOJZJZCQEZMW-UHFFFAOYSA-N 443.569 3.722 0 40 IHAB CCOc1ccc(NS(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3)s2)cc1 225237932 YKOFQVDENNKNME-UHFFFAOYSA-N 438.918 3.643 0 40 IHAB COc1cc(CNC(=S)Nc2ccc(C)c(N3CCCC3=O)c2)cc(OC)c1OC 225574258 YFOKWOIRBSURPM-UHFFFAOYSA-N 429.542 3.634 0 40 IHAB CCCCOc1ccc(-c2nc3sc(=CC4=Cc5ccccc5OC4)c(=O)n3n2)cc1 254833340 BLVGWRPNTJBBHA-UHFFFAOYSA-N 431.517 3.972 0 40 IHAB CC(C)Cc1cc(C(=O)N2CCC[C@@](COc3cccc(Cl)c3)(CC(N)=O)C2)on1 257269021 MOFSUNBZXFJGEJ-JOCHJYFZSA-N 433.936 3.703 0 40 IHAB CC(C)(NC(=O)COc1ccccc1)C(=O)N1CCC[C@H](Cc2cccc3[nH]ncc23)CC1 257299291 RPLKTSJMMJALNC-IBGZPJMESA-N 448.567 3.708 0 40 IHAB Cc1cccc(C)c1N1C[C@H]2C[C@@]2(C(=O)Nc2ccc(OC(F)(F)F)cc2)S1(=O)=O 260842784 XGEFCMPLDYAONQ-AUUYWEPGSA-N 440.443 3.749 0 40 IHAB Cc1cc(C)c(NC(=O)CN(Cc2ccc(Br)cc2)S(C)(=O)=O)c(C)c1 408609289 MUIDEZBOEYZMOD-UHFFFAOYSA-N 439.375 3.775 0 40 IHAB CCn1c(S/C(=C\c2ccc(N(C)C)o2)C(=O)O)nnc1-c1cc(OC)cc(OC)c1 408635278 ZTSPBKIGUJYTMK-ATVHPVEESA-N 444.513 3.859 0 40 IHAB CCOc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3cccc(C)c3)[C@H]2c2ccc(C)cc2)cc1 409058023 RPTRZUCJEXACFA-DLPRSZHDSA-O 442.539 3.718 0 40 IHAB C[C@]1(c2cccc(-c3noc(Cc4csc(-c5ccccc5)n4)n3)c2)NC(=O)NC1=O 517790713 YNYRUTGTNNKKAO-JOCHJYFZSA-N 431.477 3.506 0 40 IHAB O=S(=O)(NC[C@@H](O)c1ccc(-c2ccsc2)o1)c1ccc(OC(F)(F)F)cc1 575610181 LPQVLFFHCJJDOL-CQSZACIVSA-N 433.429 3.919 0 40 IHAB Cc1cc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc(C4CC4)n(C)n3)cc2)ccc1F 685893970 RSJCYBVQHCJQKJ-UHFFFAOYSA-N 428.489 3.798 0 40 IHAB O=C(N[C@@H]1COc2c(F)cc(F)cc2C1)c1cccc(-c2noc(C(F)(F)F)n2)c1 1514788825 ZZYKFRHKFDFSPR-ZDUSSCGKSA-N 425.313 3.767 0 40 IHAB COc1ccc(C(=O)Cn2nnc(-c3ccccc3NC(=O)c3ccc(C)cc3)n2)cc1 1372712 LYLHDNKPUATNDI-UHFFFAOYSA-N 427.464 3.792 0 40 IHAB COc1ccc([C@H]2CC(=O)c3cnc(N[C@@H]4OC(=O)c5ccccc54)nc3C2)cc1OC 1407271 CHNZLKGVDWVTME-JLCFBVMHSA-N 431.448 3.688 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(Cl)s3)o2)cc1 2494191 OLNVOZARNKKTMW-UHFFFAOYSA-N 440.934 3.734 0 40 IHAB COc1cccc(NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2cccs2)c1 2627854 YECKBYOABQDXET-UHFFFAOYSA-N 432.523 3.599 0 40 IHAB CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)OCC(=O)c1ccc(Br)s1 3360949 KTFCDOHEIOTPQT-SFHVURJKSA-N 438.343 3.620 0 40 IHAB O=C(Nc1ccc2c(c1)OCCO2)c1ccccc1NCC(=O)N1CCc2ccccc21 3445583 VHMNEKNQWBEJHR-UHFFFAOYSA-N 429.476 3.711 0 40 IHAB CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N=c2[nH]c3ccccc3[nH]2)c1 6153394 VBTBIOUHEYUSJG-UHFFFAOYSA-N 440.912 3.716 0 40 IHAB aggregator CCS(=O)(=O)c1ccc(O)c(NC(=O)c2csc(COc3ccc(C)cc3)n2)c1 8750493 RGSDFCQOKNLDLA-UHFFFAOYSA-N 432.523 3.782 0 40 IHAB O=C(COC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1)c1ccc(OC(=O)c2ccccc2)cc1 8924044 YEXOXBOQZQKKMM-FQEVSTJZSA-N 449.503 3.813 0 40 IHAB O=C(CSc1nnc(C2CC2)n1C1CC1)Nc1ccccc1C(=O)NCc1ccco1 8937093 QYWKBGSLGYCRHW-UHFFFAOYSA-N 437.525 3.744 0 40 IHAB COc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc4ccccc4c3)n2)cc1OC 9128611 HQSHNLTYSLOWIO-UHFFFAOYSA-N 439.493 3.728 0 40 IHAB O=C(/C=C\c1ccc2c(c1)OCO2)Nc1nnc(SCC(=O)c2ccccc2)s1 9391023 HKZIGJGQUBNPMW-CLFYSBASSA-N 425.491 3.894 0 40 IHAB COc1ccc(N(CC(=O)Nc2ccccc2)S(=O)(=O)c2ccc(F)cc2F)cc1 9441777 MIXUMPRWDIEFQB-UHFFFAOYSA-N 432.448 3.807 0 40 IHAB COCCn1c(SCC(=O)Nc2ccccc2C)nc2sc3c(c2c1=O)CCC3 9568707 QKQUGMRUIAGRAJ-UHFFFAOYSA-N 429.567 3.632 0 40 IHAB Cc1cc(C)cc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)c1 9632489 BFHOBGAOLJQTAX-UHFFFAOYSA-N 442.471 3.895 0 40 IHAB COc1ccc(CNC(=S)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 9662189 CMNRUCMIYQASCW-UHFFFAOYSA-N 433.599 3.747 0 40 IHAB COc1cc(CN(C)C(=O)Cn2c(=O)oc3ccccc32)ccc1OCc1ccccc1 9670583 NMERZJKSTNFHTI-UHFFFAOYSA-N 432.476 3.841 0 40 IHAB COc1cccc(CNS(=O)(=O)c2cc(Br)ccc2Br)c1 9764384 BOEOLNIDRUDGRU-UHFFFAOYSA-N 435.137 3.699 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(F)c(Cl)c3)C2)cc1C 9974530 HSCCCXHYUIMLAE-AWEZNQCLSA-N 440.924 3.836 0 40 IHAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(C(F)(F)F)c2)cc1C 10301278 XHTATMAYXDVELY-UHFFFAOYSA-N 430.448 3.672 0 40 IHAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2cnc3sc4c(n3c2=O)CCCC4)CC1 10327481 TUZQFCSOKSGMTG-UHFFFAOYSA-N 442.972 3.559 0 40 IHAB CCCCc1cc(=O)oc2cc(C)cc(OCC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)c12 11866922 WFOZOWBLYQCZSL-UQBPGWFLSA-N 427.541 3.976 0 40 IHAB Nc1cc2ccccc2nc1[C@@H]1CCCN(C(=O)CCS(=O)(=O)c2ccc(F)cc2)C1 12088053 IJOBAUKFPGTFDU-QGZVFWFLSA-N 441.528 3.526 0 40 IHAB CCOC(=O)c1c(NC(=S)NCc2ccccc2)sc2c1CCN(C(=O)OCC)C2 12340778 WXUGAJBZTOQPOT-UHFFFAOYSA-N 447.582 3.926 0 40 IHAB CCOC(=O)c1sc(NC(=O)CCc2c(C)nc3nc(SC)nn3c2C)cc1C 12598900 ZCFCBCYZFBJKFN-UHFFFAOYSA-N 433.559 3.581 0 40 IHAB COc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)c2csnn2)c2ccc(F)cc2)cc1 12636265 LXDPXTPKMHUAPJ-IBGZPJMESA-N 442.516 3.989 0 40 IHAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 12806048 GBBXFMUCACVKIV-CYBMUJFWSA-N 432.523 3.796 0 40 IHAB COc1cc(NC(=O)CCc2c(C)c3ccc(O)c(C)c3oc2=O)cc(OC)c1OC 12896101 BIDGXEALWKKUQG-UHFFFAOYSA-N 427.453 3.713 0 40 IHAB biogenic O=C(Nc1ccnn1Cc1ccco1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 13164902 MAXGRKJVIVTXTG-UHFFFAOYSA-N 448.504 3.528 0 40 IHAB COc1ccccc1[C@H](c1nnnn1C(C)(C)C)N1CCN(c2cc(C)ccc2C)CC1 13504004 QPIITUDEWOEIEZ-HSZRJFAPSA-N 434.588 3.965 0 40 IHAB COc1ccc(-c2cc3ccc(OCC(=O)NCc4cccnc4)cc3oc2=O)cc1OC 13692517 DAXLGTCQWDTJPO-UHFFFAOYSA-N 446.459 3.567 0 40 IHAB O=C(NCC(F)(F)F)c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 14870304 OXPKFPNDPRLVJT-UHFFFAOYSA-N 426.338 3.798 0 40 IHAB COc1ccccc1CNC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(C)cc2)c1 15739461 PYUPHEUNHSFRNA-UHFFFAOYSA-N 440.521 3.743 0 40 IHAB COc1ccc(OC)c(NC(=O)c2ccc3c(c2)S(=O)(=O)N=C(C)N3CC(C)C)c1 15867714 ZWHFYVXWXLRTGI-UHFFFAOYSA-N 431.514 3.539 0 40 IHAB C[C@H](NC(=O)CNC(=O)c1sc2ccccc2c1Cl)c1ccc(-n2cncn2)cc1 18159558 JETYYIYNBQBDNG-ZDUSSCGKSA-N 439.928 3.743 0 40 IHAB C[C@@H](C(=O)N1CCC[C@@H](c2nn(C)cc2-c2ccnc(N3CCCC3)n2)C1)c1ccccc1 19459174 UPVBEOSPHWOFGX-TZIWHRDSSA-N 444.583 3.987 0 40 IHAB CN(C)C(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(C(=O)Cc2cccnc2)C1 19579178 NEMABNXPGKXVFU-HHHXNRCGSA-N 442.563 3.626 0 40 IHAB C[C@@]1(C2CCN(C(=O)c3ccc(N)nc3)CC2)CCCCN(CCc2ccccc2)C1=O 19744854 LWNLZDLSLVSQEV-SANMLTNESA-N 434.584 3.778 0 40 IHAB CCOC(=O)[C@@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@H]1c1ccco1 19820501 FMWRNVDTUQAAMW-VXKWHMMOSA-N 429.476 3.987 0 40 IHAB O=C(Nc1cccc(Br)c1)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 19857104 SQZWJVAJCIFUFW-INIZCTEOSA-N 437.359 3.630 0 40 IHAB CCN(CC(=O)Nc1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(OC)c(C)c1 19929705 AZQPEEYNMWFFSR-UHFFFAOYSA-N 431.341 3.960 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3ccc(SC)cc3)CC2)cc1 20017925 MHZUGPRUSXGURK-INIZCTEOSA-N 448.610 3.695 0 40 IHAB COc1ccc(CCNC(NC(=O)c2ccco2)(C(F)(F)F)C(F)(F)F)cc1OC 20259038 PPLICARZLCGFAE-UHFFFAOYSA-N 440.340 3.680 0 40 IHAB Nn1c(SCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)nnc1C1CC1 20817608 YKRCJZHEUGEFLO-INIZCTEOSA-N 442.932 3.586 0 40 IHAB O=C(NCc1ccc(Cl)cc1Cl)c1ccc(CS(=O)(=O)N2CCCC2)cc1 22532087 QCNADEMHVDRVPF-UHFFFAOYSA-N 427.353 3.849 0 40 IHAB Cc1noc(C)c1CCC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 23117271 GFGAQGHXWSNHKX-UHFFFAOYSA-N 427.526 3.683 0 40 IHAB Cc1ccc2[nH]c3c(=O)n(CCC(=O)N4CCN(c5ccc(Cl)cc5)CC4)cnc3c2c1 23125682 RFGJEMQVQZHXLH-UHFFFAOYSA-N 449.942 3.579 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)N2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)c1 23273051 WBQHMMFQQGBVNS-UHFFFAOYSA-N 446.960 3.513 0 40 IHAB O=C(CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O)NCc1ccccc1Cl 24607946 FVFRZDXJNGIILG-UHFFFAOYSA-N 430.888 3.971 0 40 IHAB CN(c1ccc(C(=O)NCCSCc2ccco2)cc1)S(=O)(=O)c1cccs1 26113986 LMAYWONKINFMDG-UHFFFAOYSA-N 436.580 3.829 0 40 IHAB COc1cc(CCC(=O)Nc2ccccc2C(=O)NCc2ccco2)cc(OC)c1OC 27308532 FEFBHTNUCLXYOL-UHFFFAOYSA-N 438.480 3.807 0 40 IHAB O=C(CSc1nnc(-c2ccc[nH]2)o1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 28131339 BZZOFRFEJIXKGB-MRXNPFEDSA-N 426.498 3.682 0 40 IHAB Cc1c(C(=O)Oc2ccc(C(=O)c3ccc(Cl)cc3)cc2)cnn1-c1ccc(O)nn1 30028790 QYHWRESGBFQTSF-UHFFFAOYSA-N 434.839 3.780 0 40 IHAB Cc1cccc(Oc2nc3ccccc3n3c(=O)n(CC(=O)NCCC(C)C)nc23)c1C 35425309 KLPMVTCPBAPTOD-UHFFFAOYSA-N 433.512 3.616 0 40 IHAB CCn1c(Sc2cc(C)nc(C)n2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 40060519 UIEJTKNXDKHRPR-UHFFFAOYSA-N 431.587 3.789 0 40 IHAB CCOC(=O)c1ccc(S(=O)(=O)N(C)Cc2sccc2C)c(Br)c1 40061750 MCVFTAABVOEKCU-UHFFFAOYSA-N 432.361 3.816 0 40 IHAB Cc1ccc(C(=O)NCc2ccccc2CN2CCC[C@@H](C)C2)cc1NS(C)(=O)=O 40108125 NIYVWGVNEOOTIS-QGZVFWFLSA-N 429.586 3.528 0 40 IHAB C[C@@]1(c2ccccc2C(F)(F)F)NC(=O)N(CC(=O)NC2CCCCCCC2)C1=O 40116665 LGENARJXTLJVPA-FQEVSTJZSA-N 425.451 3.702 0 40 IHAB O=C(Oc1ccc(I)cc1)[C@H]1CCCN1C(=O)NC1CCCCC1 58407622 DJWLORBAQHMRMS-MRXNPFEDSA-N 442.297 3.703 0 40 IHAB COc1ccc(CCNC(=O)CN2C(=O)c3ccccc3N[C@H]2c2ccc(OC)cc2)cc1 62001524 WCNYTKMTUZDOOY-RUZDIDTESA-N 445.519 3.629 0 40 IHAB biogenic Cc1nc(-c2ccc(F)cc2)n(CC(=O)Nc2ccccc2C(F)(F)F)c(=O)c1CCO 67300849 AJAIKRHPHKRUCY-UHFFFAOYSA-N 449.404 3.550 0 40 IHAB O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(=O)[nH]c2ccc(Br)cc12 71775379 LEBQSDLOPQXMCM-UHFFFAOYSA-N 440.341 3.685 0 40 IHAB Cc1ccn2cc(C(=O)N3CCNC(=O)[C@H]3Cc3cccc(-c4cccc(F)c4)c3)nc2c1 72351418 LNFVALVDWLOMNH-HSZRJFAPSA-N 442.494 3.632 0 40 IHAB Cc1nsc(N2CCCN(CC(=O)c3cc(C)n(CCc4ccccc4)c3C)CC2)n1 78950457 OUVULTDRXGJPDX-UHFFFAOYSA-N 437.613 3.903 0 40 IHAB O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC(Oc2cnc3ccccc3n2)CC1 90678867 KNKSXNWHDPCWQV-UHFFFAOYSA-N 437.443 3.881 0 40 IHAB CCOC(=O)C1=C(CN2CCC[C@@H]2c2ccccc2)NC(=O)N[C@@H]1c1ccc(OC)cc1 95947104 NZWQPAWKMUACDJ-FYYLOGMGSA-N 435.524 3.703 0 40 IHAB CC1(C)C[C@H](N(Cc2ccccc2)C(=O)CCCS(=O)(=O)N2CCCC2)C(C)(C)O1 95991721 AAPAAADYLFKHCI-FQEVSTJZSA-N 436.618 3.567 0 40 IHAB C[C@@H]1CSc2ccc(Br)cc2[C@@H]1NCC(=O)Nc1ccccc1C(N)=O 95995953 BFLSPJCRCZULNB-ADLMAVQZSA-N 434.359 3.559 0 40 IHAB O=S1(=O)c2ccccc2OCC2(CCN(CCc3ccccc3)CC2)CN1CC1CC1 96263540 XOFSMJNAGTWQAN-UHFFFAOYSA-N 440.609 3.805 0 40 IHAB COc1ccc(-c2cc(N3CCN(C(=O)c4ccc(Cl)cc4OC)CC3)[nH]n2)cc1 98212551 RNXSWHVCXUTVJV-UHFFFAOYSA-N 426.904 3.710 0 40 IHAB O=C(N[C@H]1C[C@@H]2CC[C@@H]1C2)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 100096909 VPYNFECTYSFPSG-MUKKUYKPSA-N 445.412 3.840 0 40 IHAB COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1OC 102734077 VARQVJBNNLKMKN-XPWALMASSA-N 448.450 3.894 0 40 IHAB CCc1ccc(CN(Cc2cccnc2)C(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 103414085 KJRMECBDBVHDDI-DHIUTWEWSA-N 433.552 3.738 0 40 IHAB CCOc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCCCC3)C2=O)cc1OCC 108198713 FCPGYYHUEJTWIQ-RGEXLXHISA-N 432.542 3.923 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)N(c2cc(C)ccc2C)S(C)(=O)=O)c(C)c1 220550497 GLOSHMGZQLLFGV-FQEVSTJZSA-N 446.569 3.972 0 40 IHAB CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2C(=O)O)o1 223284535 MPMFQGWCYIWSGU-NHCUHLMSSA-N 436.537 3.574 0 40 IHAB CCOc1ccc(N([C@@H](CC)C(=O)N[C@@H](C)c2ccccc2OC)S(C)(=O)=O)cc1 223434105 FOTPKVUCNYESQP-JXFKEZNVSA-N 434.558 3.516 0 40 IHAB CCC1(CC)C[C@H](NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)c2ccccc2O1 223762111 GWPIDHCNSULQQT-FQEVSTJZSA-N 428.554 3.957 0 40 IHAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CCc1ccc2c(c1)OCO2 223898606 WLFCJZVPPSBOBW-QGZVFWFLSA-N 440.515 3.963 0 40 IHAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NCc3nc(-c4ccccc4)no3)c2)cc1 223960114 UWIWUHRPVIVFFW-UHFFFAOYSA-N 448.504 3.776 0 40 IHAB CC[C@@H](NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1)c1ccccc1 225478264 QOMWXOBDMIOVJV-OAHLLOKOSA-N 436.946 3.873 0 40 IHAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccc2c(c1)OCO2 225520257 ITKSCOHAIUZJQZ-QHCPKHFHSA-N 444.531 3.734 0 40 IHAB CCCSc1nnc(NC(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)s1 225576452 WCPWLXIIHNRLTJ-UHFFFAOYSA-N 428.605 3.568 0 40 IHAB CC[C@@H](NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1)c1ccc(OC)c(C)c1 225693590 KMKJMZARXYICBH-HXUWFJFHSA-N 428.554 3.732 0 40 IHAB CCn1c(=O)sc2cc(S(=O)(=O)N[C@@H]3CC(C)(C)Oc4cc(C)ccc43)ccc21 225697398 SLVXCFNUVSVJFT-MRXNPFEDSA-N 432.567 3.972 0 40 IHAB CCn1nc2c(c1C(=O)N1CCNC(=O)[C@H]1Cc1cccc(-c3ccccc3)c1)CCCC2 257201511 AHYFUJBOFNDRJK-XMMPIXPASA-N 442.563 3.632 0 40 IHAB COc1ccccc1CN1CCC[C@H]1c1cc2nc(C)c(CCC(=O)NC3CC3)c(C)n2n1 257288755 PVLWKNFLUPPHPM-QHCPKHFHSA-N 447.583 3.903 0 40 IHAB Cc1nc([C@H]2CCCN(C(=O)CC3CCCCC3)C2)nc(C)c1CC(=O)N1CCCC1 257297142 RGBXLDWNZBQQCT-NRFANRHFSA-N 426.605 3.935 0 40 IHAB CC(C)[C@@H]1C[C@@]2(CO[C@H]1c1ccccc1)CN(Cc1ccc3c(c1)n(C)c(=O)n3C)CCO2 257297869 RJCRMNAOSCIJJC-LNBJVWSJSA-N 449.595 3.882 0 40 IHAB O=C1N(Cc2ccncc2)CCO[C@]12CN(Cc1ccc(Cl)cc1)C[C@@H]2c1cccnc1 306126181 DOYWLJZAPUBVST-NOZRDPDXSA-N 448.954 3.527 0 40 IHAB CCc1ccccc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1 408659761 MXGGTANOFHKKSG-PTRHGPIFSA-N 446.503 3.580 0 40 IHAB CCc1ccc(NC(=O)CSc2nnc([C@@H](C)NC(=O)c3cccc(C)c3)n2C)cc1 409127653 FCOGEZMAZUAIIZ-MRXNPFEDSA-N 437.569 3.908 0 40 IHAB COC(=O)CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)N(C)C1=S 409211394 LRTHNICBBDLLCK-ZSOIEALJSA-N 425.293 3.826 0 40 IHAB COc1ccc(-c2cc(C(=O)N3CCN([C@@H](C(N)=O)c4ccccc4)CC3)sc2C)cc1 515032372 PCRUKTNEBHPXOJ-HSZRJFAPSA-N 449.576 3.717 0 40 IHAB Cc1cc(C(=O)N2c3ccccc3CC[C@H]2C(=O)N2CCN(C)CC2)c2nccc(C)c2c1 551213953 JVFDTGKWIBYYCA-DEOSSOPVSA-N 442.563 3.587 0 40 IHAB C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)c1cncc(C(=O)N[C@@H]2c3ccccc3O[C@@H]2C)c1 564685682 MDGWHMVIQMDVTB-BCVIDUSVSA-N 429.476 3.586 0 40 IHAB CC(C)Sc1ccc(CC(=O)N2CC[C@@H](Oc3ncc(Br)cn3)C2)cc1 585147149 ODLKIUDOXHOEOE-MRXNPFEDSA-N 436.375 3.962 0 40 IHAB Cn1cc([C@H]2CN(C(=O)[C@@H]3CCCN3c3nc4ccccc4o3)Cc3ccccc32)cn1 585410077 VGUKLXDNNHYBKM-IRLDBZIGSA-N 427.508 3.704 0 40 IHAB CN1CC[C@H]2CC(=O)N(CC3CCC(F)(F)CC3)C[C@H](O)C(C)(C)COCCC[C@H]2C1 1534613278 RFEGSWSOMCMUHS-ACRUOGEOSA-N 444.607 3.796 0 40 IHAB O=c1c(Cl)c(N2CCN(c3ccc(Cl)cc3)CC2)cnn1-c1cccc(Cl)n1 984216 CQNAITFOYBXTBP-UHFFFAOYSA-N 436.730 3.914 0 40 IHAB CCN(CC)CCCN/C=C1/C(=O)N(c2cc(OC)ccc2OC)C(=O)c2ccccc21 2224830 UOAWMUNHMHMTKR-HEHNFIMWSA-N 437.540 3.553 0 40 IHAB CCCc1nc2sc3c(N(C[C@H](C)O)C[C@H](C)O)nc(SC)nc3c2c2c1CCC2 2427480 OHPDWQQYQUBNCS-STQMWFEESA-N 446.642 3.971 0 40 IHAB Cc1cc(C)c(C(=O)COC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1C 3392658 PDCYYENFAORDTO-UHFFFAOYSA-N 429.538 3.826 0 40 IHAB N=C(N)SCC(=O)Nc1c(Br)cc(Br)cc1Br 4015672 IWCFNBUVADIOEZ-UHFFFAOYSA-N 445.962 3.539 0 40 IHAB CCOc1ccc(-n2nnnc2CSc2nnc3c(C)cc4cc(OC)ccc4n23)cc1 6090177 LOVCSOZBCMZZQO-UHFFFAOYSA-N 447.524 3.866 0 40 IHAB Cc1ccc(S(=O)(=O)N(CCCO)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1Cl 6410173 LYUVBJLGGHDBSV-UHFFFAOYSA-N 448.972 3.680 0 40 IHAB COc1ccc2c(C)c(CC(=O)N[C@@H](C)Cc3c[nH]c4ccccc34)c(=O)oc2c1OC 8878454 OLPJOVXNACHFSU-AWEZNQCLSA-N 434.492 3.890 0 40 IHAB biogenic O=C(C[C@@]1(O)C(=O)N(Cc2cccc(F)c2)c2ccccc21)c1ccc2c(c1)OCCO2 9128801 BALLBUFABSMGDX-VWLOTQADSA-N 433.435 3.604 0 40 IHAB Cc1c(C)n(-c2ccc(F)cc2)c2ncn3nc(CN4C(=O)c5ccccc5C4=O)nc3c12 9419826 ICIOZYMTORAOEL-UHFFFAOYSA-N 440.438 3.620 0 40 IHAB O=C(Nc1nc2c(Br)cccc2s1)c1ccc(N2C(=O)CCC2=O)cc1 9599640 DCLMONMJUBBJPN-UHFFFAOYSA-N 430.283 3.965 0 40 IHAB C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccc(/C=C/c3ccccn3)c2)C1=O 9672432 IZBSOIMFWUUUBS-AAJFVQQISA-N 426.476 3.658 0 40 IHAB O=C(CSC1=NS(=O)(=O)c2cc(F)ccc2N1)Nc1ccc(OC(F)(F)F)cc1 9762002 LHBYWJBBSLTQNS-UHFFFAOYSA-N 449.407 3.566 0 40 IHAB CCS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3cc(Cl)ccc3OC)cc2)nn1 9787099 HYBSQQDFFSVONG-UHFFFAOYSA-N 431.901 3.852 0 40 IHAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)CCCSc1nc2ccccc2s1 9898647 FAHCKRMPIWDQJQ-UHFFFAOYSA-N 449.623 3.735 0 40 IHAB COc1ccc(S(=O)(=O)CCCC(=O)Nc2nc3c(OC)ccc(C)c3s2)cc1 10218789 IWTNIZIXTOFOBZ-UHFFFAOYSA-N 434.539 3.815 0 40 IHAB CCOC(=O)c1c(NC(=O)c2nn(-c3cccc(C)c3)ccc2=O)sc(C(C)=O)c1C 12062541 FMOOYRNUMNOVRP-UHFFFAOYSA-N 439.493 3.542 0 40 IHAB CCOc1ncc([C@]2(O)CCC[C@H]3CN(Cc4cc(OC)ccc4F)C[C@@H]32)c(OCC)n1 12233444 UUCJETPKIRSFCI-GSMBIVSISA-N 445.535 3.541 0 40 IHAB CCOc1ccc(Cc2nnc(SCC(=O)Nc3ccc(Cl)cc3)[nH]c2=O)cc1 12348408 PNDXJZCTTFJDJT-UHFFFAOYSA-N 430.917 3.539 0 40 IHAB C[C@]1(c2ccccc2)C[C@@H](Nc2ccc(I)cc2C(=O)O)C(=O)O1 12402141 BUPYJCMKAHHTOT-CRAIPNDOSA-N 437.233 3.632 0 40 IHAB biogenic,in-vitro COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NCCSCc2ccco2)c1 12507825 JHJFUHRMZFZIDB-UHFFFAOYSA-N 446.550 3.752 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(O)c(NC(=O)c3ccc[nH]c3=S)c2)cc1 12526021 DWMMATQXJHQCQI-UHFFFAOYSA-N 431.495 3.511 0 40 IHAB COc1ccc(C(C)=O)cc1CC(=O)N(C)CC(=O)Nc1ccc(Br)cc1C 12751472 VDJCVAUKQJYDSF-UHFFFAOYSA-N 447.329 3.608 0 40 IHAB CCOc1ccc(CN(C)C(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 12777166 BCGCTBAQITUECQ-UHFFFAOYSA-N 425.554 3.853 0 40 IHAB O=C(CN1CCN(C(=O)c2cc3c(s2)-c2ccccc2CC3)CC1)NCc1ccccc1 12803787 LUFDGKOLAGICEV-UHFFFAOYSA-N 445.588 3.588 0 40 IHAB O=C1O[C@@H](CC(=O)N(Cc2ccccc2)Cc2nc3ccccc3c(=O)[nH]2)c2ccccc21 12897489 MKKNKRFHESSJMG-QFIPXVFZSA-N 439.471 3.754 0 40 IHAB CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 12978783 ZZVRHNUACKABQV-IBGZPJMESA-N 449.477 3.595 0 40 IHAB CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Br)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 13759326 XMPMGJJQSQPGEC-WCIQWLHISA-N 437.293 3.554 0 40 IHAB COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N(C)Cc2ccc(F)cc2)cc1 15477698 YILQIOVICLRRMJ-UHFFFAOYSA-N 428.485 3.907 0 40 IHAB CCOc1ccc(CCNC(=O)CSc2nc3ncc(Cl)cc3[nH]2)cc1OCC 15934869 ZJQVONBIRKUSSO-UHFFFAOYSA-N 434.949 3.860 0 40 IHAB O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)N1c2ccccc2OC[C@@H]1c1ccccc1 16278454 ZIKPTAFFKNDJRP-HXUWFJFHSA-N 431.423 3.809 0 40 IHAB COc1ccccc1N([C@@H](C)C(=O)N1CCc2ccccc21)S(=O)(=O)c1cccs1 16694794 HRWADUZBGVHTHL-INIZCTEOSA-N 442.562 3.930 0 40 IHAB Nc1nc(SCC(=O)Nc2cccc3nsnc23)nc2sc3c(c12)CCCC3 19078259 SRZQHHUHBSWYPY-UHFFFAOYSA-N 428.568 3.888 0 40 IHAB CSCC[C@@H](NC(=O)c1cc2c(F)cccc2[nH]1)c1cc(=O)[nH]c(-c2ccccn2)n1 19573889 CHRQZJCZMDWXBD-MRXNPFEDSA-N 437.500 3.677 0 40 IHAB CNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCN(C(=O)Cc2ccccc2OC)C1 19591516 JGIZOKZWPILIPS-HHHXNRCGSA-N 443.547 3.507 0 40 IHAB Cc1nc([C@@H]2CCCN(C(=O)c3cnn(C)c3C)C2)nc2c1CCCN2Cc1ccccc1 19707024 VAEUGVABLLKSTE-OAQYLSRUSA-N 444.583 3.800 0 40 IHAB CC(=O)N1CCc2nc([C@@H]3CCCN(C)C3)nc(NCCCc3ccccc3Cl)c2C1 19711308 GBSHXPOEQRECMA-LJQANCHMSA-N 442.007 3.889 0 40 IHAB O=C(CN1CCC([C@@H]2CCCCN(Cc3ccccc3)C2=O)CC1)Nc1nccs1 19744081 LBYQKXKRZSLBSP-FQEVSTJZSA-N 426.586 3.623 0 40 IHAB COc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)Cc3csc(C)n3)CC2)c1 19747020 IGEIJWNFGDOEIK-JOCHJYFZSA-N 441.597 3.936 0 40 IHAB Cc1nc(C2CCN(C(=O)c3cnccn3)CC2)nc2c1CCCN2Cc1ccc(F)cc1 19752670 FZGZVEFJANIFGM-UHFFFAOYSA-N 446.530 3.687 0 40 IHAB CCN(CC)C(=O)c1cnc([C@@H]2CCN(C(=O)c3ccc4[nH]c(C(C)C)nc4c3)C2)nc1C 19757321 CUSMFDFSVJENFP-GOSISDBHSA-N 448.571 3.896 0 40 IHAB O=C(c1cccnc1)N1CCc2cc(NS(=O)(=O)Cc3ccccc3Cl)ccc21 19819342 NFRASDZXRDIEER-UHFFFAOYSA-N 427.913 3.880 0 40 IHAB O=C(Nc1ccc(F)c(F)c1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 19861043 GMKBGRRATHASFX-CQSZACIVSA-N 428.888 3.799 0 40 IHAB Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)N[C@H](C)c1ccc(Cl)cc1 20021791 QTBVSYLRDCYXHE-MRXNPFEDSA-N 436.961 3.689 0 40 IHAB COc1ccc(-c2nc(N(Cc3ccccc3)C(=O)CN3CCOCC3)sc2C)cc1 20058122 ZREQFWGJCNSSJL-UHFFFAOYSA-N 437.565 3.993 0 40 IHAB O=C1CN=C(c2ccccc2Cl)c2c(sc3c2CCCC3)N1CCN1CCOCC1 20084378 OFIWKDKIICCWGC-UHFFFAOYSA-N 444.000 3.797 0 40 IHAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)COc2ccc(Cl)cc2C(N)=O)cs1 21761263 NVRBWQLZLXGTGA-UHFFFAOYSA-N 427.913 3.839 0 40 IHAB O=C(CCc1ncc(-c2ccc(F)cc2F)o1)N1CCN(C(=O)c2ccccc2)CC1 22191246 BTVBVLQCKIFJNH-UHFFFAOYSA-N 425.435 3.537 0 40 IHAB Cc1cc(C)c(N(CC(=O)Nc2ccccc2Br)S(C)(=O)=O)c(C)c1 22382572 NNKKUXJMPRCDHH-UHFFFAOYSA-N 425.348 3.779 0 40 IHAB Cc1noc(C)c1COc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 23882216 AWZRQVUQCHFYQA-UHFFFAOYSA-N 449.507 3.557 0 40 IHAB O=C(Nc1cccc(I)c1)c1cccc(NC(=O)[C@H]2CCCO2)c1 24433075 VCIMOVYXJAJAFS-MRXNPFEDSA-N 436.249 3.661 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCCc3cc(C(F)(F)F)ccc32)n(C)c1 24472281 WKFSCHTUOVPVNZ-UHFFFAOYSA-N 443.491 3.667 0 40 IHAB O=C(CN1CCN(C(=O)c2cc3sc4ccccc4c3s2)CC1)N1CCCCC1 25384078 ZVDYUJZMPLHNRO-UHFFFAOYSA-N 427.595 3.886 0 40 IHAB CC(C)(C)c1csc(NC(=O)CCNS(=O)(=O)c2ccccc2Br)n1 25447205 QJXLHJKBSUAMQO-UHFFFAOYSA-N 446.392 3.510 0 40 IHAB Cc1ccc([C@@]2(c3ccccc3)NC(=O)N(CC(=O)N(C)C3CCCCC3)C2=O)cc1C 25636663 PTROPJGBPXRTHP-AREMUKBSSA-N 433.552 3.890 0 40 IHAB COc1ccc(N(Cc2cccs2)S(=O)(=O)c2cc(C(=O)O)ccc2OC)cc1 26543053 OSLJHEUIAXGVOG-UHFFFAOYSA-N 433.507 3.859 0 40 IHAB Cc1cc(NC(=O)[C@H](C)SCC(=O)NCc2ccccc2COc2ccccc2)no1 30187150 DWQDOYORZXIQRJ-KRWDZBQOSA-N 439.537 3.939 0 40 IHAB Cc1ccc(S(=O)(=O)N[C@@H](CCSc2nnnn2C2CC2)c2ccccc2)cc1 30341905 BZYWCTVKGIFUOY-IBGZPJMESA-N 429.571 3.518 0 40 IHAB COc1ccc(N2C[C@H](C(=O)N[C@@H](CCSC)c3nc4ccccc4[nH]3)CC2=O)cc1 30662925 YTSXTZYJTXTNCI-QRWLVFNGSA-N 438.553 3.535 0 40 IHAB COc1ccccc1N(CC(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1)S(C)(=O)=O 30862261 FAFGBDVHJSNUSM-DEOSSOPVSA-N 438.549 3.675 0 40 IHAB Nc1nnc(SCC(=O)N(C/C=C/c2ccccc2)c2ccc3c(c2)OCCO3)s1 32671848 ZQWDJPYVTSTXPI-QPJJXVBHSA-N 440.550 3.730 0 40 IHAB O=C(N[C@@H]1CCOc2ccccc21)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 32731442 LMGJEYRSQHVPTE-LJQANCHMSA-N 426.469 3.880 0 40 IHAB O=C(Nc1ccnn1C1CCCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 32768359 LPTPMGYBAJIUNC-INIZCTEOSA-N 434.537 3.567 0 40 IHAB COc1ccc(OCC(=O)Nc2cccc(OCc3cc(=O)n4cc(C)ccc4n3)c2)cc1 33068151 QYDBEFSWCBOMKO-UHFFFAOYSA-N 445.475 3.608 0 40 IHAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)C2=O)o1 34735855 RWKGYNDMMNIZMU-NDENLUEZSA-N 433.464 3.875 0 40 IHAB COc1cc([C@H](c2sc3nc(C)nn3c2O)N2CCC[C@H](C)C2)cc(OC)c1OC 34913873 LLIIRNMRYDHBER-YVEFUNNKSA-N 432.546 3.652 0 40 IHAB O=C(Nc1ccc(F)cc1)[C@H]1Sc2nc(O)sc2[C@H]2c3ccccc3OC(=O)[C@@H]12 35074970 OTQVZPBQAZFKFV-ZNMIVQPWSA-N 428.466 3.768 0 40 IHAB CCCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)C1 40129578 JAUUMRATOALHPZ-OAHLLOKOSA-N 425.551 3.648 0 40 IHAB C[C@H]1CCc2c(sc3ncnc(N4CCC(C(=O)NCC(C)(C)CN(C)C)CC4)c23)C1 40158226 BUYPOSUOZJJGQL-INIZCTEOSA-N 443.661 3.737 0 40 IHAB O=C(Cn1c(=O)n(-c2cc(F)cc(F)c2)c(=O)c2sccc21)Nc1ccc(Cl)cc1 57494197 HDODVCZNHDVYMK-UHFFFAOYSA-N 447.850 3.784 0 40 IHAB O=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N(CCN1CCOCC1)c1ccccc1 58108973 NDSYFVKRJBGSQB-UHFFFAOYSA-N 448.894 3.886 0 40 IHAB COc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CCCCC2)cc1-n1nnnc1C 60365385 MFQXZRVQRYPIAU-UHFFFAOYSA-N 435.484 3.549 0 40 IHAB O=c1ccc(-c2ccc(Cl)c(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)c2)n[nH]1 64837161 LVDJUIGHAFKOBH-UHFFFAOYSA-N 443.956 3.734 0 40 IHAB O=C(CCNC(=O)c1ccsc1)N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 69948249 VBPIIVWVRVUPSV-HXUWFJFHSA-N 436.512 3.915 0 40 IHAB CCN(C[C@H]1COc2ccccc2O1)S(=O)(=O)Cc1ccc(Br)cc1F 72232392 CNLYTWCSJWAARU-HNNXBMFYSA-N 444.322 3.580 0 40 IHAB Cc1cc(-c2cc(=O)n(CC(=O)N3c4ccccc4C[C@@H]3C)nc2-c2cccs2)on1 72337027 ZXBCOJHTMHWNLM-HNNXBMFYSA-N 432.505 3.913 0 40 IHAB CCS(=O)(=O)N1CCCC[C@@H]1c1nnc(C2CCN(Cc3ccc(C)c(C)c3)CC2)o1 72344913 HZVJFEMQPYXWAZ-OAQYLSRUSA-N 446.617 3.943 0 40 IHAB Cc1cc(C(F)F)n2nc(C(=O)N3CCC(c4onc5c4C[C@@H](C)CC5)CC3)nc2n1 72392449 FIFDZQDHWBZCRC-NSHDSACASA-N 430.459 3.503 0 40 IHAB Cc1ccc(C2(CN3CCC(NC(=O)C[C@H]4CCS(=O)(=O)C4)CC3)CCCCC2)cc1 72393588 PWWRYBKXQQCMHK-OAQYLSRUSA-N 446.657 3.602 0 40 IHAB C[C@H]1Oc2ccccc2N(CC(=O)Nc2nc(-c3ccc(-n4cccn4)cc3)cs2)C1=O 89919833 LJFLXRATZZDBHI-OAHLLOKOSA-N 445.504 3.748 0 40 IHAB COC(=O)C[C@@H](c1oc(CSc2ccccc2Cl)cc(=O)c1O)c1ccnn1C 95477589 ZDDOGVDAIZLSBN-CYBMUJFWSA-N 434.901 3.720 0 40 IHAB COC(=O)c1ccc2[nH]c(CO[C@H]3CN(Cc4ccc5ccccc5n4)C[C@H]3F)nc2c1 96112387 QDIIZZIBGAYTCZ-GCJKJVERSA-N 434.471 3.637 0 40 IHAB biogenic,in-vitro C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 105049899 QKTAKMAVFSFXOB-WMLDXEAASA-N 447.329 3.764 0 40 IHAB CC(C)(C)C(=O)/C=c1\[nH]c(=O)/c(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)s1 105740312 FDAKGVWIBIYABE-UAKSEAGPSA-N 429.545 3.514 0 40 IHAB C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)[C@@H]1C[C@H]2CC[C@H]1C2 105876185 UDSFJVDYHYPINI-ISFWSWAHSA-N 430.614 3.517 0 40 IHAB CSc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)c(F)c3)CC2)cc1 113955553 DWRGPCRCULXGSQ-UHFFFAOYSA-N 426.510 3.726 0 40 IHAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)OCC(=O)Nc2cccc(C)c2C)CC1=O 138940814 UNUZAQOORSQVHT-HNNXBMFYSA-N 430.888 3.500 0 40 IHAB CN(C)CC1(c2cccc(Nc3ncc(-c4ccccc4)s3)n2)CCN(CCO)CC1 143115349 DDQQLCAQDUBWRU-UHFFFAOYSA-N 437.613 3.836 0 40 IHAB CC[C@H](C(=O)N[C@H]1CC(C)(C)Oc2ccc(C)cc21)N(c1ccccc1)S(C)(=O)=O 219086366 MWPNRNKUJMQVCX-VQTJNVASSA-N 430.570 3.958 0 40 IHAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(Br)cc3)c(Cl)cc21 223363019 IXQCNXTZKMUJFF-UHFFFAOYSA-N 431.695 3.831 0 40 IHAB CC[C@H](C(=O)NCCOc1ccccc1C(C)C)N(c1ccc(C)cc1)S(C)(=O)=O 223783889 YVEFRCCZIDBZQV-OAQYLSRUSA-N 432.586 3.858 0 40 IHAB CCc1ccc(OCC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c(Br)c1 223861182 FSQBFLYQNIONBK-ZDUSSCGKSA-N 440.359 3.671 0 40 IHAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)Nc3cccc(F)c3)cc2)cc1 224439245 ZCQJWLBCLFQMOB-UHFFFAOYSA-N 428.485 3.907 0 40 IHAB CC(C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc2c(c1)OCCO2 224641013 YNBUUIKDGFVAGN-QGZVFWFLSA-N 444.959 3.986 0 40 IHAB CCc1ccc([C@@H](C)NC(=O)[C@@H](C)N(c2cc(Cl)ccc2OC)S(C)(=O)=O)cc1 224650541 SRZAAZHADZRGBL-HUUCEWRRSA-N 438.977 3.943 0 40 IHAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1F)C(=O)CCc1ccc2c(c1)OCO2 224700102 NHHOUXGLIPDWLL-KRWDZBQOSA-N 440.515 3.963 0 40 IHAB CCSc1nnc(NC(=O)CCCN(c2cccc(Cl)c2C)S(C)(=O)=O)s1 224793452 AXDFKHADASESTE-UHFFFAOYSA-N 449.023 3.797 0 40 IHAB COc1ccccc1N1CCN(c2ncncc2-c2nc(-c3ccccc3F)no2)CC1 244950867 FPIAXQOHUDOTJV-UHFFFAOYSA-N 432.459 3.668 0 40 IHAB CC(C)[C@]1(O)O[C@](O)(c2ccc(F)cc2)[C@@]2(c3ccccc3)O[C@@]12C(=O)Nc1ccccc1 256075612 NNEBPPHOMFPLDK-ROXDYWFKSA-N 449.478 3.649 0 40 IHAB in-vitro Cc1nn(C)cc1S(=O)(=O)N1CCC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 257233054 GNNREJITWLXIEO-INIZCTEOSA-N 434.949 3.529 0 40 IHAB COc1ccc(CC(=O)N2CCCC[C@H]2c2nnc(-c3cnccn3)o2)c2ccccc12 257260494 LDDILMZWKCMFRJ-FQEVSTJZSA-N 429.480 3.985 0 40 IHAB CCOc1ccc(N([C@H](C)C(=O)NCCOc2ccccc2C(C)C)S(C)(=O)=O)cc1 260924543 IKRMANNEGWHJJF-GOSISDBHSA-N 448.585 3.558 0 40 IHAB COc1ncccc1NC(=O)c1nc([C@H]2CCCN2C(=O)c2ccccc2)n2ccccc12 306127313 FVEBPDCMYWXWOA-HXUWFJFHSA-N 441.491 3.968 0 40 IHAB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1)Nc1ccccc1Cl 408672744 ZTYAGTDEWAWHRR-CALCHBBNSA-N 438.867 3.591 0 40 IHAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(C(=O)Nn4c(C)ccc4C)cc3)CC2=O)cc1 408687227 TXUMCUVBNDWOKP-FQEVSTJZSA-N 430.508 3.789 0 40 IHAB Cc1ccc([C@@H]2[C@@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccccc2Cl)cc1 409064276 BWZKPZVPKAROPR-MYPDDRRYSA-O 436.894 3.804 0 40 IHAB COC(=O)c1cccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c1C 409310878 CJKUDSLSDFWLCD-UHFFFAOYSA-N 438.505 3.616 0 40 IHAB Cc1nc(Cn2cc(C(=O)NCc3cccc(Oc4ccc5ccccc5c4)c3)nn2)no1 552602832 UVPKRZGEJUYMMJ-UHFFFAOYSA-N 440.463 3.893 0 40 IHAB CC1(C)CN(C(=O)c2ccc(C(=O)N3CC(C)(C)[C@@H]3[C@@H]3CCCO3)cc2)[C@@H]1[C@H]1CCCO1 580016484 MKLGTEKKTSGHED-COPRSSIGSA-N 440.584 3.746 0 40 IHAB CN(C)[C@H]1CC2(CCN(C(=O)c3ccc(-c4ccc(Cl)cc4)o3)CC2)OC[C@]1(C)O 585267257 QEZRAPGCIXUHEX-UNMCSNQZSA-N 432.948 3.676 0 40 IHAB Cc1ccc2c(c1)Cc1cccc(c1)CN(C(=O)CCn1nc(C)nc1C)CCOCCO2 643573337 YILUYGHFEOVMJF-UHFFFAOYSA-N 448.567 3.622 0 40 IHAB CC[C@@H](Nc1nc(N)nc(N)n1)c1ccccc1OCc1ccccc1Br 1185592534 FGVDEBAOHUHTBL-OAHLLOKOSA-N 429.322 3.941 0 40 IHAB CC(C)CCn1c(S[C@H]2CCC(=O)NC2=O)nc2sc3c(c2c1=O)CC[C@H](C)C3 1643518574 MFARVMYEJRMJGO-JSGCOSHPSA-N 433.599 3.526 0 40 IHAB O=C(N1C[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]2C1)C1(c2ccccc2)CCOCC1 1888876188 BAESSAJQQJOBQV-HDICACEKSA-N 445.485 3.743 0 40 IHAB O=C(CCSc1nc(-c2ccc3c(c2)OCO3)cc(C(F)(F)F)n1)N1CCCC1 920023 ISHJUYXPEIJAPT-UHFFFAOYSA-N 425.432 3.996 0 40 IHAB CC(C)(C(=O)Nc1ccc2c(c1)OCO2)N(Cc1cccnc1)C(=O)Cc1ccccc1 1420047 GANHUCHPQYNYPW-UHFFFAOYSA-N 431.492 3.799 0 40 IHAB Cc1ccccc1OCCC(=O)OCC(=O)Nc1ccc(I)cc1 3328974 CMANJNHAMGWIDL-UHFFFAOYSA-N 439.249 3.550 0 40 IHAB O=C(CSc1nc2ccccc2c(=O)n1CCCO)Nc1c(Cl)cccc1Cl 3455246 UQCJECMJPIAPIJ-UHFFFAOYSA-N 438.336 3.817 0 40 IHAB Cc1ccccc1C(=O)NC(=S)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1 4109654 XIOJNOCJPWNTOA-UHFFFAOYSA-N 448.548 3.677 0 40 IHAB Cc1ccc2cc(COC(=O)CNS(=O)(=O)c3ccccc3F)c(Cl)nc2c1C 8728448 WMTZZCUWGUXEIH-UHFFFAOYSA-N 436.892 3.666 0 40 IHAB Cc1cc2cc(CN(Cc3ccco3)C(=S)NC[C@@H]3CCCO3)c(=O)[nH]c2cc1C 8829054 VSNGKRWYXKPBID-IBGZPJMESA-N 425.554 3.794 0 40 IHAB COc1ccc2c(c1OC)C(=O)O[C@@H]2N1C(=O)CC[C@H]1C(=O)Nc1ccc(C(C)C)cc1 9034027 HFUCERTYCQLSKU-SBUREZEXSA-N 438.480 3.626 0 40 IHAB biogenic Cc1c(Cl)cccc1N1C[C@H](C)Cn2c1nc1c2c(=O)n(CCC(C)C)c(=O)n1C 9519273 RBZMDOJRZFDDDM-AWEZNQCLSA-N 429.952 3.692 0 40 IHAB COCCn1c(SCC(=O)Nc2c(C)cccc2C)nc2sc3c(c2c1=O)CCC3 9568701 CXGHKNZIPRJKJM-UHFFFAOYSA-N 443.594 3.941 0 40 IHAB COc1ccc(C(=O)NCCc2nnc3ccc(SCc4ccc(F)cc4)nn23)cc1 9578635 JKBWIXZFSXKLEF-UHFFFAOYSA-N 437.500 3.537 0 40 IHAB C[C@H]1C[C@H](C)CN(C(=O)CSc2nnc3n(-c4ccccc4)c(=O)c4ccccc4n23)C1 9662914 GOEGXXAJMCNPIY-IRXDYDNUSA-N 447.564 3.630 0 40 IHAB C[C@@H](OC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)C(=O)Nc1ccc(F)cc1Cl 9788300 ADIJNUROYWFKRP-SECBINFHSA-N 435.807 3.659 0 40 IHAB CCOCc1c(C(=O)OCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)oc2ccccc12 9876210 BKJNDPXHPIORGU-HNNXBMFYSA-N 436.464 3.890 0 40 IHAB CC(C)CNC(=O)NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 9983820 NLJRRVRPPKLOBS-UHFFFAOYSA-N 447.948 3.814 0 40 IHAB COc1cccc([C@@H]2c3c(-c4ccc(Cl)cc4Cl)nnc(O)c3Nc3nnnn32)c1 10298122 RKXUMWOPPJJBER-QGZVFWFLSA-N 442.266 3.846 0 40 IHAB CS(=O)(=O)N(CC(=O)N1CCc2ccccc21)c1ccc(Cl)c(C(F)(F)F)c1 10449176 CUJWUEIPLULNIH-UHFFFAOYSA-N 432.851 3.714 0 40 IHAB COc1ccc(N(CCCC(=O)N2c3ccccc3C[C@H]2C)S(C)(=O)=O)cc1Cl 10449928 FMXVMIKZFIWSBB-OAHLLOKOSA-N 436.961 3.873 0 40 IHAB CS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1 10687783 YEOYBLRSRHGMKP-UHFFFAOYSA-N 442.468 3.773 0 40 IHAB COc1ccc(CC(=O)N2CCN(c3cc(Oc4ccc(C)cc4)nc(C)n3)CC2)cc1 11613221 LOFXZNQRYPKFOA-UHFFFAOYSA-N 432.524 3.786 0 40 IHAB COc1ccc(O[C@H](C)C(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 11656673 PDHUWJCWYIKSDX-QGZVFWFLSA-N 432.542 3.666 0 40 IHAB Cc1cc(NC(=O)[C@H](C)Sc2nnc(CN3CCCCC3)n2-c2ccccc2)no1 12135773 VQRHPSFVGKZRBA-INIZCTEOSA-N 426.546 3.669 0 40 IHAB Cc1ccc(NC(=O)Cn2c(=O)n(-c3ccc(F)cc3)c(=O)c3oc4ccccc4c32)cc1 12140762 VOSGFSDJHIKXAL-UHFFFAOYSA-N 443.434 3.985 0 40 IHAB CC(C)S(=O)(=O)c1cccc(C(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)c1 12232721 YXJSMZQKJHQEOC-UHFFFAOYSA-N 428.535 3.948 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C)CC2)c2cccc(Cl)c2)cc1 12417785 HUKJSRLZJUJGLH-UHFFFAOYSA-N 436.961 3.802 0 40 IHAB COc1ccc(NC(=O)C(C)C)cc1S(=O)(=O)Nc1ccc(Br)cc1 12526333 XMJAGYDZWJPYLA-UHFFFAOYSA-N 427.320 3.853 0 40 IHAB O=C(Cn1c(=O)c2c(ncn2C2CCCC2)n(Cc2ccccc2)c1=O)c1cccc(F)c1 12548170 RAVLCMGYPNZLAR-UHFFFAOYSA-N 446.482 3.545 0 40 IHAB COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)c(C(=O)O)c2)cc1 12561038 KIRJQQACVXYCNQ-UHFFFAOYSA-N 444.440 3.586 0 40 IHAB COC(=O)c1ccc(CNC(=O)COC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 12565003 KFCKQGRVWCTEJX-UHFFFAOYSA-N 429.900 3.798 0 40 IHAB O=C(Cn1cnc2ccc(Br)cc2c1=O)Nc1ccc(OC(F)(F)F)cc1 12684908 PWZJHJMDQAOGRN-UHFFFAOYSA-N 442.191 3.696 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N(C)Cc2ccccc2OC)cc1 12769823 GKAHRYZBWCSQNV-UHFFFAOYSA-N 440.521 3.777 0 40 IHAB Nn1c(SCC(=O)Nc2ccccc2C(=O)c2ccccc2)nnc1-c1ccccc1F 12796408 ZKBQKIRPLVGHDJ-UHFFFAOYSA-N 447.495 3.760 0 40 IHAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CCC(=O)Nc1cc(C)ccc1C)n2CC(C)C 13134211 MMIMNDJJIUBOMQ-UHFFFAOYSA-N 439.560 3.531 0 40 IHAB COc1ccc(CCNC(=O)[C@@H]2CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)cc1 13687931 HFQGSIODMMPXHG-OAQYLSRUSA-N 433.552 3.707 0 40 IHAB Cc1ccc(NC(=O)C2=C(Nc3ccc4c(c3)OCO4)c3ccccc3S2(=O)=O)cc1 15019359 YSYSFCXBNOTORI-UHFFFAOYSA-N 434.473 3.930 0 40 IHAB COc1cc(OC)cc([C@H](NC(=O)COc2cccc3ccccc23)c2nccn2C)c1 15520126 WNYAYVUPNKQWFC-DEOSSOPVSA-N 431.492 3.875 0 40 IHAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)CCN2C(=O)NC3(CCCCC3)C2=O)cs1 16277316 QVSGIHVIQCDBIF-UHFFFAOYSA-N 438.553 3.652 0 40 IHAB CN1CCN(Cc2nc3ccccc3n2C)C[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O 19289948 JGPDIKREOHHLII-HSZRJFAPSA-N 439.563 3.768 0 40 IHAB O=C(c1cccnc1)N1CCCC[C@@H]1c1nc(O)c2c(n1)CN(Cc1cccs1)CC2 19337603 QEVICNYMTBJSLH-HXUWFJFHSA-N 435.553 3.564 0 40 IHAB CCCN1CCN(C(=O)c2cnccn2)C[C@@H](Cc2ccc(-c3cccs3)cc2)C1=O 19502904 SEBMCGYNGYVBMY-HXUWFJFHSA-N 434.565 3.758 0 40 IHAB CNC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)Cc2cccnc2)C1 19591158 GOVXDXNCUMHJFX-RUZDIDTESA-N 433.577 3.950 0 40 IHAB CCOC(=O)c1ccc(N2CCN(CC)CC2)c(NC(=O)COc2cccc(C)c2C)c1 19630169 VGLFHXJXNXPOPZ-UHFFFAOYSA-N 439.556 3.640 0 40 IHAB COc1cc(NC(=S)NC(=O)/C=C/c2ccco2)ccc1N1C(=O)c2ccccc2C1=O 19645849 ZEYUINHFXPTULT-PKNBQFBNSA-N 447.472 3.615 0 40 IHAB Cc1nccn1CCC(=O)N1CCC[C@@H](c2ccc(C(=O)Nc3ccc(F)cc3)cn2)C1 19705633 OYTFPOMCRAJGRP-LJQANCHMSA-N 435.503 3.774 0 40 IHAB COc1ccc(S(=O)(=O)n2nc(OC(=O)c3ccc(-c4ccccc4)cc3)cc2N)cc1 20103768 AHIZIZVAACFYNM-UHFFFAOYSA-N 449.488 3.597 0 40 IHAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)N(C)C3CCCCC3)Oc3ccccc32)cc1 20112422 BHUVEQBAWLQOOA-JOCHJYFZSA-N 428.554 3.742 0 40 IHAB Cc1ccc(NC(=O)CN2CCCN(Cc3ccc(Cl)cc3)S2(=O)=O)c(Cl)c1 21729468 GOUWTWCPQNFEGH-UHFFFAOYSA-N 442.368 3.693 0 40 IHAB Cc1cccc(NC(=O)CN2CCN([C@H](C)C(=O)Nc3ccc(Cl)cc3)CC2)c1C 22357523 VHGGPFCATDKJNU-GOSISDBHSA-N 428.964 3.540 0 40 IHAB Cc1ccc(CCCNC(=O)[C@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)cc1 22527236 KJLNZUUEVKMDKU-DEOSSOPVSA-N 442.625 3.718 0 40 IHAB CC(C)c1ccc(-c2noc(CN3C(=O)N[C@](C)(c4ccc5c(c4)OCO5)C3=O)n2)cc1 22715404 KBVHIGWGGHSSAL-HSZRJFAPSA-N 434.452 3.556 0 40 IHAB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCCCN2CCCCCC2)c1 23548905 MUFYVQHNPKOCBX-UHFFFAOYSA-N 429.586 3.508 0 40 IHAB Cc1ccc(NC(=O)CN(C)C(=O)[C@H](C)N[C@@H](C)c2ccccc2Br)cc1 24922962 YRFJKJHEBUJVFQ-HOTGVXAUSA-N 432.362 3.894 0 40 IHAB Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)N[C@H](C)c2ccccc2Br)cc1 24922967 YRFJKJHEBUJVFQ-HZPDHXFCSA-N 432.362 3.894 0 40 IHAB Cc1cc(C(=O)Nc2ccc(SCc3cccnc3)cc2)cc(S(N)(=O)=O)c1C 27121541 QCDXSWGQZLCRBV-UHFFFAOYSA-N 427.551 3.890 0 40 IHAB CCOC(=O)C1=C(CN(C)Cc2c(F)cccc2Cl)NC(=O)N[C@H]1c1cccs1 27351330 ZXJVZYCNFHWJSS-SFHVURJKSA-N 437.924 3.844 0 40 IHAB O=C(CN1C(=O)CSc2ccccc21)Nc1ccc(NC(=O)NCc2ccco2)cc1 27984932 SXAGDUDQGKHEKV-UHFFFAOYSA-N 436.493 3.679 0 40 IHAB CNC(=O)CN1c2ccccc2C(=O)N(C)[C@@H]1c1csc(-c2ccc(Cl)cc2)n1 28924613 YYPNRHOWPJEZJH-FQEVSTJZSA-N 426.929 3.800 0 40 IHAB CNC(=O)CN1c2ccccc2C(=O)N(C)[C@H]1c1csc(-c2ccc(Cl)cc2)n1 28924614 YYPNRHOWPJEZJH-HXUWFJFHSA-N 426.929 3.800 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H]2CCSc3ccc(Cl)cc32)cc1C 30887110 OXJMXWNORMDOQG-SFHVURJKSA-N 439.002 3.931 0 40 IHAB CCN(CC)[C@@H](C)CNC(=O)Nc1ccc(C)c(NC(=O)NC[C@@H](C)N(CC)CC)c1 31099368 ZWYVTDQQXFPBGO-RBUKOAKNSA-N 434.629 3.699 0 40 IHAB CC(=O)Nc1ccc2nc(NC(=O)[C@@H]3CCCN(C(=O)c4ccc(F)cc4)C3)sc2c1 32900446 BDIMDPJDYCFHAC-OAHLLOKOSA-N 440.500 3.885 0 40 IHAB O=C1CN(C(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)c2ccccc2N1 35191557 MSCXGMHLJBSFMF-UHFFFAOYSA-N 431.477 3.605 0 40 IHAB C[C@H](NC(=O)c1ccccc1Cl)c1nnc(SCC(=O)NC2CCCCC2)n1C 35214816 YXOPJCJYYAEROW-ZDUSSCGKSA-N 435.981 3.501 0 40 IHAB Cc1ccc(NC(=O)CN2CCN(C(=O)CCc3ncc(-c4ccc(C)cc4)o3)CC2)cc1 35269006 AUSCWZVYJJXBCN-UHFFFAOYSA-N 446.551 3.674 0 40 IHAB c1ccc2ncc(CN3CCC[C@H]3c3nc(-c4ccc(N5CCOCC5)nc4)no3)cc2c1 35425266 RRTOQPZLFGXMSO-QFIPXVFZSA-N 442.523 3.854 0 40 IHAB biogenic,in-vitro O=C(CN1CCN(c2nccs2)CC1)N1CCc2sccc2[C@H]1c1cccs1 36389989 JWCLAIHSIQAKQE-IBGZPJMESA-N 430.624 3.562 0 40 IHAB CC(=O)Nc1ccc(F)c(NC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)c1 36717044 MNLCMCQKTYATFE-UHFFFAOYSA-N 447.532 3.990 0 40 IHAB Cc1cc(-c2cc(C(=O)NCC(C)(C)N3CCOCC3)c3cnn(C(C)C)c3n2)c(C)o1 40043193 DVZOESYTVWWJKT-UHFFFAOYSA-N 439.560 3.730 0 40 IHAB Cc1oc(-c2cccs2)nc1CC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)nc1 48288437 GEHQPRFWWUZBTL-GASCZTMLSA-N 426.542 3.579 0 40 IHAB COc1ccccc1N1CCN(Cc2nc(-c3ccc(N4CCC[C@@H](C)C4)nc3)no2)CC1 49409650 IOBHJSSKMVAZOS-LJQANCHMSA-N 448.571 3.699 0 40 IHAB Cn1c(COc2ccccc2Cl)nnc1SCCC(=O)Nc1ccc2c(c1)OCO2 57991256 FGUWKBUODJKPHV-UHFFFAOYSA-N 446.916 3.897 0 40 IHAB O=C(NCCCN1CCCCC1)C1CCN(C(=O)Nc2ccccc2C(F)(F)F)CC1 62369390 RMPOROHEPNJXLE-UHFFFAOYSA-N 440.510 3.942 0 40 IHAB CCOc1ccccc1OCCCC(=O)N[C@H](C)CN1CCN(c2ccccc2)CC1 72295382 CJJMXIAOAPHDJI-OAQYLSRUSA-N 425.573 3.571 0 40 IHAB Cc1cc(Nc2cnccn2)cc([C@@H]2CCCN(C(=O)CN(C)Cc3ccccc3F)C2)n1 72375067 MHVXITDWXZAODC-HXUWFJFHSA-N 448.546 3.901 0 40 IHAB C[C@@H](C(=O)Nc1ccc(Br)cc1Br)N1CCC[C@H](CC(=O)O)C1 89553034 RYNIUVHBZYNNGX-WDEREUQCSA-N 448.155 3.725 0 40 IHAB CCOCCCNC(=S)N1[C@H]2CC[C@H]1CC(NC(=O)NC13CC4CC(CC(C4)C1)C3)C2 100433896 WUWHNPFRCNXHHX-BOSZTNLGSA-N 448.677 3.551 0 40 IHAB CCOc1cc([C@H]2N=C(Nc3ccc(Cl)cc3)Nc3nc(C)cc(=O)n32)ccc1O 101419320 UZIJNHOCDQSOTR-IBGZPJMESA-N 425.876 3.750 0 40 IHAB Cc1ccc(C(=O)O)cc1-n1c(C)cc(/C=c2\sc3nc4ccccc4n3c2=O)c1C 140315848 AIFNVNVEZRLADQ-MTJSOVHGSA-N 429.501 3.871 0 40 IHAB COc1cc(CNC(=O)COc2cc(C)c(Br)c(C)c2)cc(OC)c1OC 218842793 SXBNWTYWLAVABE-UHFFFAOYSA-N 438.318 3.787 0 40 IHAB CCCOc1ccccc1CCCNC(=O)CCCN(c1ccccc1)S(C)(=O)=O 219173907 GBONYWVTRHOESE-UHFFFAOYSA-N 432.586 3.771 0 40 IHAB CS(=O)(=O)N(CC(=O)NCCSCc1ccccc1)c1ccc(C(F)(F)F)cc1 220041818 QANTWSFMELLZQW-UHFFFAOYSA-N 446.516 3.521 0 40 IHAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1cccc(N2CCCCS2(=O)=O)c1 222562095 XCVZFQKAZJRHTF-HXUWFJFHSA-N 428.554 3.957 0 40 IHAB CCCNC(=O)c1ccccc1NC(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 222571271 FSALVHLQBWBGRS-UHFFFAOYSA-N 445.585 3.628 0 40 IHAB Cc1ccc(OC[C@H](C)NC(=O)CCCN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 222575137 YFKQRKIGCGNWGR-FQEVSTJZSA-N 432.586 3.742 0 40 IHAB C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(O)c(I)c2)S1 222583070 WVZCHJKYRJONMQ-HNHYXYPQSA-N 437.306 3.981 0 40 IHAB C[C@@H]1Cc2ccccc2N1C(=O)COc1ccc(S(=O)(=O)N2CCCCCC2)cc1 222748963 CZBAPCNZVLUIJZ-GOSISDBHSA-N 428.554 3.608 0 40 IHAB CC1(C)C[C@@H](NC(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)c2ccccc2O1 223739413 GCYOPUBQIXPLLI-GOSISDBHSA-N 436.961 3.520 0 40 IHAB COc1ccc(OCC(=O)N(Cc2cccc(OC)c2)[C@@H](C)C(=O)NC2CCCC2)cc1 224014486 YDQBWQKVOIOEDF-SFHVURJKSA-N 440.540 3.559 0 40 IHAB Cc1ccc([C@H](NS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)c2ccccc2)c(C)c1 225796503 PAVSVSJFWJUEOS-GOSISDBHSA-N 444.582 3.817 0 40 IHAB CN(C(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1 226008004 RUWGXOOJODOLJG-UHFFFAOYSA-N 430.476 3.819 0 40 IHAB COC[C@]1(C(N)=S)[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 252516361 SFGHIZLBYZSJPD-JZXOWHBKSA-N 430.378 3.852 0 40 IHAB CC(=O)N[C@@]12CN(C)CC[C@@H]1[C@@H](c1ccccc1)N(C(=O)C1(c3ccccc3)CCCC1)C2 257245921 IRQUXZZLEBQMPO-INNMJMHTSA-N 445.607 3.909 0 40 IHAB O=C1CO[C@]2(CCN(C(=O)C3(c4cccc(F)c4)CCCC3)C2)CN1c1ccc(F)cc1 257248580 JEHPWVPGMAHUMV-DEOSSOPVSA-N 440.490 3.811 0 40 IHAB COc1ccccc1[C@H]1CN(C(=O)C2(c3ccc(Cl)cc3)CCOCC2)CCN1C 257260845 LERRDJJMBNOPQU-OAQYLSRUSA-N 428.960 3.912 0 40 IHAB C[C@H]1Cc2cc(CCC(=O)N3CCC(c4cncc(Nc5cnccn5)n4)CC3)ccc2O1 257304888 SNNFWWRWYNGRTE-KRWDZBQOSA-N 444.539 3.672 0 40 IHAB CC[C@@H](NC(=O)[C@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O)c1ccc(OC)c(C)c1 260769883 SGNLORFNJGLBEF-IFXJQAMLSA-N 440.512 3.704 0 40 IHAB Cc1cccc(CN2C[C@H](c3cn(C(C)C)cn3)[C@]3(CCN(Cc4ccncc4)C3=O)C2)n1 306128254 GVLOYIYSYUYNKW-BVAGGSTKSA-N 444.583 3.581 0 40 IHAB Cc1cc2ccccc2n1CCC(=O)N1CC[C@H](c2ccccc2F)S(=O)(=O)CC1 390829724 GDQPBLCJFPFECJ-JOCHJYFZSA-N 428.529 3.867 0 40 IHAB COC(=O)COc1c(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)cccc1OC 408531185 MLGJZNQTKHOZOY-QGOAFFKASA-N 427.478 3.526 0 40 IHAB Cc1ccc(NC(=O)CN(Cc2ccc(Br)cc2)S(C)(=O)=O)cc1Cl 408610258 ONQFQDKEDPBRDC-UHFFFAOYSA-N 445.766 3.811 0 40 IHAB Cc1cccc(C)c1NC(=O)COC(=O)c1cccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 408653195 DIBNGYQCISFUGO-WOJBJXKFSA-N 432.476 3.555 0 40 IHAB Cc1ccc(C)c(N2C[C@@H](C(=O)OCC(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)c1 408663495 YKQFXCFBWPCASM-HNNXBMFYSA-N 434.414 3.857 0 40 IHAB CCn1c(CNC(=O)Cc2ccccc2)nnc1SCC(=O)Nc1ccc(Cl)cc1 409169849 RHHBIKNKXHZCRE-UHFFFAOYSA-N 443.960 3.541 0 40 IHAB COc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1Cl 409392172 PVSWRAZGBWIHQV-SECBINFHSA-N 437.732 3.961 0 40 IHAB COc1cccc(C2(CNC(=O)[C@@H]3CCCN3C(=O)c3cc(Cl)ccc3OC)CC2)c1 565455241 UJNYFLWDISBZSU-FQEVSTJZSA-N 442.943 3.810 0 40 IHAB Cc1cc(C)n([C@@H](CNS(=O)(=O)c2ccccc2Br)c2cccs2)n1 575610044 JLHWRCJXFXMFPE-HNNXBMFYSA-N 440.388 3.892 0 40 IHAB COc1ccc(CCNC(=O)N2CCCC3=C[C@H]4C[C@@H](CN5CCCC[C@@H]45)[C@H]32)cc1OC 583648148 JXOSLFKXMPFGSP-UEOMBKFZSA-N 439.600 3.851 0 40 IHAB biogenic O=C(CC1CCCC1)N1CCCCC2(CO)CCN(CC2)C(=O)c2ccccc2OCC1 643574952 DDLPAHXORNVWDQ-UHFFFAOYSA-N 442.600 3.873 0 40 IHAB C[C@]12CCN(c3ncnc4[nH]cnc34)[C@@H]1CCC(=O)N2Cc1ccc(C(F)(F)F)cc1 2037844098 OGAVAXWWTGLRPY-QRWLVFNGSA-N 430.434 3.532 0 40 IHAB CCCn1c(O)c(C(=O)Nc2ccc(I)cc2)c(=O)c2ccccc21 811400 CRPPHTVUTJBSSI-UHFFFAOYSA-N 448.260 3.974 0 40 IHAB CCOc1ccc(-n2nnnc2SCC(=O)N2CCC(Cc3ccccc3)CC2)cc1 928675 XNEZYOZIADNACR-UHFFFAOYSA-N 437.569 3.634 0 40 IHAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N(CCc1ccccc1)Cc1ccccc1)C2=O 2630835 ZOQOAIPUUVURJI-FNZWTVRRSA-N 433.552 3.759 0 40 IHAB Cc1ccc2c(COC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)cc(=O)oc2c1 2653268 GCXZTMDAAHTFGW-UHFFFAOYSA-N 441.505 3.633 0 40 IHAB Cc1cc(NC(=O)CSc2nc3ccccc3n2CC(=O)N2C[C@@H](C)C[C@@H](C)C2)no1 4083355 FHERHKIMXQIVCA-GASCZTMLSA-N 441.557 3.568 0 40 IHAB CCOc1ccccc1N1CCN(C(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)CC1 4868057 VKOGOVJXOGKGCJ-UHFFFAOYSA-N 427.614 3.825 0 40 IHAB CC[C@H](c1ccc(OCC(=O)N2CC2)cc1)[C@H](CC)c1ccc(OCC(=O)N2CC2)cc1 5574000 NZPAJNDKGZUJDS-DNQXCXABSA-N 436.552 3.816 0 40 IHAB CCOC(=O)[C@H](CSCC(=O)c1ccc(Br)cc1)NC(=O)OC(C)(C)C 8670737 WOOJBAVJNNRNPS-AWEZNQCLSA-N 446.363 3.821 0 40 IHAB CC(=O)[C@@H]1[C@@H](C(=O)c2ccncc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(C)ccc3N12 8918614 WXVQQCGVNGJNII-KALPRAJFSA-N 449.510 3.952 0 40 IHAB biogenic COc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3cccc(F)c3)c3ccccc32)c(OC)c1 8927779 YTUXUQKLNFDICM-VWLOTQADSA-N 435.451 3.850 0 40 IHAB CCOc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 9055714 ZYNFCDHXRNCVLL-UHFFFAOYSA-N 444.443 3.681 0 40 IHAB O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2ccccc21)c1ccc(Br)cc1 9186438 HDVKURWPKYOPRH-UHFFFAOYSA-N 435.277 3.798 0 40 IHAB Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(OCC(=O)NCCCn3ccnc3)ccc12 9187681 ZBCXFGACCGGJEH-UHFFFAOYSA-N 445.519 3.782 0 40 IHAB Cc1cc(NC(=O)Cn2ccn3nc(-c4ccccc4)cc3c2=O)ccc1Br 9320998 OSKOEPHUUUQOKF-UHFFFAOYSA-N 437.297 3.873 0 40 IHAB COc1ccc(OCc2nnc(S[C@@H](C)C(=O)Nc3nc(C)c(C)s3)n2C)cc1 9329033 DLMCBXUIWLGFGP-ZDUSSCGKSA-N 433.559 3.595 0 40 IHAB CN(C)S(=O)(=O)c1cccc(NC(=O)COc2ccc(OCc3ccccc3)cc2)c1 9508800 ZNQUKRLVIIJNMW-UHFFFAOYSA-N 440.521 3.533 0 40 IHAB O=C(Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2ncccc21)c1ccc(Cl)cc1 9660714 ZMEDHBGNRHTHCR-UHFFFAOYSA-N 440.286 3.796 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCCOC(C)C)c2ccc(C)cc2C)cc1 9850508 WNMYICXIRKRQQQ-UHFFFAOYSA-N 432.586 3.738 0 40 IHAB CCOc1ccc(-c2ccc(OCCNS(=O)(=O)c3cc(C)c(C)cc3C)nn2)cc1 9852986 MYEPMVDPYTWIEN-UHFFFAOYSA-N 441.553 3.825 0 40 IHAB CCOc1ccc(NC(SCc2ccccc2)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 9973775 OLNGYHMSRCWTBW-UHFFFAOYSA-N 425.510 3.693 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCCN3C[C@@H](C)C[C@H](C)C3)cc2)cc1 10112643 UKTKBKNFYVACGH-PMACEKPBSA-N 443.613 3.894 0 40 IHAB CC(C)CCn1c(=O)c2c(nc3n2CCN3c2ccc(Oc3ccccc3)cc2)n(C)c1=O 10249681 WKCBXWUKQGTUDZ-UHFFFAOYSA-N 445.523 3.887 0 40 IHAB COC(=O)c1ccc2c(=O)n(Cc3ccccc3Cl)c(S[C@@H](C)C(=O)OC)nc2c1 10783874 VGDBMEAFOIHCMV-LBPRGKRZSA-N 446.912 3.538 0 40 IHAB NC(=O)Cc1csc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)n1 11000577 CALUIMDWNUXIDS-UHFFFAOYSA-N 425.297 3.704 0 40 IHAB Cn1nnnc1-c1cccc(NC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)c1 11336693 BKPUWAHTNJXCPZ-UHFFFAOYSA-N 446.536 3.695 0 40 IHAB COc1ccc(NC(=O)c2ccccc2CN2C(=O)CNC2=O)cc1Cc1ccccc1 11836586 IVLGCUAEADGWIG-UHFFFAOYSA-N 429.476 3.590 0 40 IHAB COc1ccccc1N1CCN([C@H](C(=O)O)c2c[nH]c3cc(Br)ccc23)CC1 12324166 DQRBNRZPINYZHN-FQEVSTJZSA-N 444.329 3.887 0 40 IHAB COc1ccc(NC(=O)Cn2c(=O)cc(C(=O)N3CCCC3)c3ccccc32)cc1Cl 12371114 PVGPPKLRMJFGPD-UHFFFAOYSA-N 439.899 3.538 0 40 IHAB biogenic,in-vitro O=C(CSC1=Nc2c(cnn2-c2cccc(Cl)c2)C2=NCCCN12)N1CCCCC1 12389354 ZVIIHMBEUWMLPI-UHFFFAOYSA-N 442.976 3.725 0 40 IHAB COC(=O)c1sc2ccccc2c1S(=O)(=O)N(C)CC(=O)Nc1ccc(C)c(C)c1 12415191 LKWSERPCEAVJIH-UHFFFAOYSA-N 446.550 3.564 0 40 IHAB C[C@@H](Sc1nnc(-c2ccccc2F)n1C1CC1)C(=O)Nc1sccc1C(N)=O 12801542 CGTYOWHMUUJKBT-SNVBAGLBSA-N 431.518 3.699 0 40 IHAB COc1ccccc1[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)c1csnn1 12871765 ONDDQWDDMVPULF-FQEVSTJZSA-N 438.553 3.845 0 40 IHAB CN1CCN(C(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)[C@H](c2ccccc2)C1 13147562 WMJRIGOSWBLEAV-QHCPKHFHSA-N 441.531 3.731 0 40 IHAB COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1NC(=O)c1ccccc1F 13566414 BBQABDFWFJOQLZ-UHFFFAOYSA-N 440.496 3.834 0 40 IHAB Cn1c(Cc2cccc3ccccc23)nnc1SCC(=O)NCCOc1ccccc1 13880490 PLVXELMWMAGSRX-UHFFFAOYSA-N 432.549 3.846 0 40 IHAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)C[C@@H](C)O1 14429977 XHXITPYKOYXGCN-OKILXGFUSA-N 442.459 3.756 0 40 IHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CC(=O)Nc3ccccc32)cc1 15912458 JFZHNPQGPTZTRX-UHFFFAOYSA-N 435.505 3.501 0 40 IHAB CN(C)C(=O)[C@H](OC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccccc1 17480919 CROLHEFJHSDTOR-LJQANCHMSA-N 444.534 3.535 0 40 IHAB Cc1nc(N2CCN(c3ccccn3)CC2)nc2c1C(=O)C[C@H](/C=C/c1ccccc1)C2 18223044 YGJBABVEHOGTJM-RQWLHQTBSA-N 425.536 3.965 0 40 IHAB CC(C)C(=O)N1CCC(c2nc(O)cc([C@@H]3CCCN(C(=O)C[C@H]4C=CCC4)C3)n2)CC1 19085292 BQASSZZHMSHYAG-AZUAARDMSA-N 440.588 3.607 0 40 IHAB O=C(Cc1cccnc1)N1CCc2nc(-c3ccncc3)nc(Nc3cccc(F)c3)c2C1 19294006 WHPIVDDWJXZBMZ-UHFFFAOYSA-N 440.482 3.944 0 40 IHAB CCNC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCCN(C(=O)c2cccc(F)c2)C1 19528621 SQPLGASVPXYGPK-SANMLTNESA-N 446.526 3.884 0 40 IHAB CNC(=O)[C@]1(Cc2cc(-c3ccccc3C)no2)CCN(C(=O)c2sc(C)nc2C)C1 19703585 LDLGOLSAIOWWSD-QHCPKHFHSA-N 438.553 3.544 0 40 IHAB CCn1c(CN2CCO[C@H](c3cc(C(=O)N(C)C)c4ccccc4n3)C2)nc2ccccc21 19759572 GMLGPBFWZYPASI-DEOSSOPVSA-N 443.551 3.880 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)cc1 19935711 UPYGIYLXCSFEQR-UHFFFAOYSA-N 448.516 3.819 0 40 IHAB COc1ccc(CN(CCN2CCOCC2)C(=S)Nc2ccc(C)cc2)cc1OC 20665521 FHFPVJVVGDNXTP-UHFFFAOYSA-N 429.586 3.543 0 40 IHAB COC(=O)c1cn(CC(=O)N(C)Cc2cc(Br)ccc2OC)c2ccccc12 20923127 MNTJDABGHQNELP-UHFFFAOYSA-N 445.313 3.858 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CSc2nc(COc3ccc(Cl)cc3)n[nH]2)cc1 21112819 PELSWPITEJICRQ-UHFFFAOYSA-N 446.916 3.945 0 40 IHAB CCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3ccc4ccccc4c3)ccc21 21756200 ASDDSHWWDCVLJG-UHFFFAOYSA-N 430.551 3.743 0 40 IHAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(C(F)(F)F)cc2)c1 22229886 FBSHMTUCTGKOCF-KRWDZBQOSA-N 442.459 3.814 0 40 IHAB COc1cccc(CCCNC(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)c1 22366009 DYMZFZNDBLLWMS-UHFFFAOYSA-N 445.368 3.517 0 40 IHAB CCC[C@H](NC(=O)[C@H](C)N1CCN(Cc2ccc(OC)c(F)c2)CC1)c1ccccc1 22933832 OQYWRRNZSVGEQP-CVDCTZTESA-N 427.564 3.998 0 40 IHAB Cc1sc2nc(CN3CCOCC3)nc(N3CCN(Cc4ccsc4)CC3)c2c1C 23956093 CTBAWVBZPVIQOU-UHFFFAOYSA-N 443.642 3.524 0 40 IHAB COc1cc(Br)c(OC)c(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)c1 24841938 ZJYNEZBRYIKVCF-UHFFFAOYSA-N 444.289 3.707 0 40 IHAB O=C(c1cc(Br)ccc1O)N1CCN(Cc2csc(-c3ccco3)n2)CC1 29326067 GHBSBCRWRBOMFZ-UHFFFAOYSA-N 448.342 3.829 0 40 IHAB CN(c1ccc(OCc2nnnn2C2CC2)cc1)S(=O)(=O)c1ccc2ccccc2c1 29378554 RDZLHOJJBKAFGL-UHFFFAOYSA-N 435.509 3.565 0 40 IHAB CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccccc1OCc1ccncc1 29982865 IPARGCCULGNXSA-UHFFFAOYSA-N 429.398 3.789 0 40 IHAB O=C(c1ccc(F)cc1)c1ccc(OS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 30494023 LAHRDGBMLMLNTL-UHFFFAOYSA-N 439.464 3.951 0 40 IHAB CCCCN(CC(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 32915543 MEAAWCMSEOATCG-UHFFFAOYSA-N 446.535 3.767 0 40 IHAB COc1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1 33431775 YLIXTPUPUUEONA-UHFFFAOYSA-N 430.457 3.653 0 40 IHAB COCCn1nnnc1[C@H](c1ccccc1Cl)N1CCN(c2cccc(Cl)c2)CC1 35290791 YPKHFMUVAZYYIJ-FQEVSTJZSA-N 447.370 3.538 0 40 IHAB COc1ccccc1Oc1ccc(NC(=O)c2cnn([C@H]3CCS(=O)(=O)C3)c2C)cc1 40141657 BKQTWJUFQZWRCL-KRWDZBQOSA-N 441.509 3.604 0 40 IHAB Cc1cccc(C2=N/C(=C/c3cc(Cl)cc(Cl)c3OS(C)(=O)=O)C(=O)O2)c1 41108848 YKMVOBWLQMCGCY-OVCLIPMQSA-N 426.277 3.985 0 40 IHAB O=C(NCc1ccc(Cl)cc1)N1CCN(c2ccc(-c3noc(C4CC4)n3)cn2)CC1 44097990 BBYBUGBEULCBIM-UHFFFAOYSA-N 438.919 3.694 0 40 IHAB O=C(Cn1c(=O)n(-c2cccc(Cl)c2)c(=O)c2sccc21)NCCC1=CCCCC1 57491402 IIOMLFQKZGBSSU-UHFFFAOYSA-N 443.956 3.874 0 40 IHAB O=C(Nc1ccnn1C1CCCCC1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 57993377 KNOIRHHJILZKBJ-UHFFFAOYSA-N 428.514 3.712 0 40 IHAB C[C@H](C(=O)Nc1cccc2ncccc12)N1CCC(c2nc(-c3ccccn3)no2)CC1 58227555 VMKMSGWUHWFQGD-MRXNPFEDSA-N 428.496 3.886 0 40 IHAB CCCC(=O)NC[C@H]1CCCN(C(=O)C2(S(=O)(=O)c3cc(C)ccc3C)CCCC2)C1 58341892 RWGOFXCVPPIQSG-HXUWFJFHSA-N 448.629 3.545 0 40 IHAB COc1ccc(CCNC(=O)CN2C(=O)c3ccccc3N[C@@H]2c2ccc(OC)cc2)cc1 62001525 WCNYTKMTUZDOOY-VWLOTQADSA-N 445.519 3.629 0 40 IHAB biogenic Cc1cc2nc(SCC(=O)N[C@@H]3CCc4ccccc43)n(Cc3ccco3)c(=O)c2[nH]1 67236582 BWLLHVCKEOTZAG-GOSISDBHSA-N 434.521 3.570 0 40 IHAB CC(C)n1ncc2cc(C(=O)OCC(=O)N3N=C(c4ccco4)C[C@@H]3c3ccco3)cnc21 70036841 JJFYOLUASYOZAO-GOSISDBHSA-N 447.451 3.733 0 40 IHAB O=C(NC1CCCC1)c1nnn(-c2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)n1 71002979 YFHVSCVWMJLLHS-UHFFFAOYSA-N 444.417 3.606 0 40 IHAB Cc1cc(NC(=O)Cc2cc3c(cc2Br)OCCO3)n(Cc2ccccc2)n1 71848117 VDZSUWXTKSJNAO-UHFFFAOYSA-N 442.313 3.955 0 40 IHAB COc1ccc2cc(C(=O)N3CCCN(Cc4cn5cc(Cl)ccc5n4)CC3)[nH]c2c1 72292935 MZVATVGLGUKHKV-UHFFFAOYSA-N 437.931 3.826 0 40 IHAB Cc1ccc(NC(=O)NCC(C)(C)C[C@@H](C)O)cc1NC(=O)NCC(C)(C)C[C@@H](C)O 72304717 RUXHQGARJRMQIH-IAGOWNOFSA-N 436.597 3.832 0 40 IHAB Cc1cc(Cc2ccc(C(F)(F)F)cc2)cc([C@H]2CCN(S(=O)(=O)N(C)C)C2)n1 72374756 BUYVPNILZINWHM-KRWDZBQOSA-N 427.492 3.595 0 40 IHAB O=C1[C@H]2CC=CC[C@@H]2C(=O)N1c1nc2n(n1)[C@@H](c1ccccc1)C[C@H](c1ccccc1)N2 102767078 LJUIHPXVUYBPKS-UWHLTILDSA-N 425.492 3.880 0 40 IHAB Cc1ccc(F)cc1NC(=O)CSc1nnc([C@H](C)NC(=O)c2ccccc2C)n1C 108268660 UQENVOGTGVGSMS-HNNXBMFYSA-N 441.532 3.793 0 40 IHAB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)Nc1cccc(C(F)(F)F)c1 111882808 GAQUVRSDRFKNKI-LBPRGKRZSA-N 440.805 3.894 0 40 IHAB O=C(c1ccccc1Br)N1CCC[C@@H](S(=O)(=O)c2ccc(F)cc2)C1 211105651 BXUDNXVPIDILPA-OAHLLOKOSA-N 426.307 3.667 0 40 IHAB CCOc1ccccc1CCCNC(=O)[C@@H](CC)N(c1ccc(C)c(C)c1)S(C)(=O)=O 219121828 ODBLLXWQIIFYOB-JOCHJYFZSA-N 446.613 3.996 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CCCN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 222565532 QAFVTQCRGUPSBL-UHFFFAOYSA-N 432.542 3.665 0 40 IHAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1C(=O)N1CCCC1 222939644 RFMHTEOCHUZXCZ-KRWDZBQOSA-N 442.581 3.850 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)N[C@@H](C)c1cc(C)ccc1C 223158912 AHKYLVQIKNIJIE-IBGZPJMESA-N 444.597 3.907 0 40 IHAB Cc1ccc(N([C@@H](C)C(=O)NCCOc2ccc3ccccc3c2)S(C)(=O)=O)cc1C 223600099 USBDYRDDAJHXJD-IBGZPJMESA-N 440.565 3.806 0 40 IHAB COc1cccc(CN(C)S(=O)(=O)c2ccc(SC)c(C(=O)N3CCCCC3)c2)c1 223892095 JMMVAFBYJRQAPV-UHFFFAOYSA-N 448.610 3.864 0 40 IHAB Cc1c(C(=O)Nc2nnc(SCc3ccccc3)s2)cccc1N(C)S(C)(=O)=O 224886061 ZQWIDBRUXFTUQQ-UHFFFAOYSA-N 448.595 3.787 0 40 IHAB CNC(=S)Nc1nc(N2CCc3ccccc3C2)cc(N2CCc3ccccc3C2)n1 225879748 ATJDDENSPNLPFT-UHFFFAOYSA-N 430.581 3.518 0 40 IHAB O=C(c1cc(Br)cs1)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1 244950781 FLJKHPBERQHOOR-UHFFFAOYSA-N 448.342 3.584 0 40 IHAB COc1ccc([C@H]2C[C@@H](NC(=O)C3[C@H]4CCCC[C@H]34)CC[C@]23CCC(=O)N3)cc1OC 257202360 ALKUGHVWUPYJMH-CHAZSLEPSA-N 426.557 3.541 0 40 IHAB CC(=O)O[C@H]1C[C@@H](C(C)=O)[C@]2(C)CC[C@@]3(O)[C@H](CC[C@H]4C[C@H](OC(C)=O)CC[C@]43C)[C@H]12 257348152 BTJJGPCIDWESHX-BULVKTHQSA-N 434.573 3.823 0 40 IHAB COc1ccc(N([C@@H](C)C(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)S(C)(=O)=O)cc1 260452991 BPOWJWJEIDBVMP-JXFKEZNVSA-N 446.569 3.577 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ncc(C(=O)Nc3ccc(Br)cc3)cn2)cc1 408535195 YHSLLIRJUGZYAK-UHFFFAOYSA-N 447.314 3.601 0 40 IHAB CCCC[C@@H](C(=O)OCC(=O)Nc1cc(Cl)ccc1C)N1C(=O)c2ccccc2C1=O 408666641 RJHSITAFBQBNPX-IBGZPJMESA-N 442.899 3.985 0 40 IHAB COc1ccc([C@H]2[C@@H](NC(=O)c3ccc(Cl)cc3)C(=O)N/[N+]2=C\c2ccccc2C)cc1 409061142 WAWGTWMWIKCTCV-WSBKAMHLSA-O 448.930 3.673 0 40 IHAB CC[C@H](NC(=O)Nc1ccc(S(=O)(=O)CC)cc1)[C@H](c1ccc(C)cc1)n1cncn1 533742106 QTXACEMXAZSIED-SFTDATJTSA-N 441.557 3.570 0 40 IHAB CC1(C)[C@@H](c2cc(F)c(F)c(F)c2)CCN1C(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1 1178534144 IOARKDXYBJTCRZ-IQMFZBJNSA-N 445.441 3.567 0 40 IHAB C=CC(=O)N1CCC(C(=O)N2CCO[C@@H](c3ccc(F)c(F)c3)C2)(c2ccccc2)CC1 1626691936 XBWYGHJUOSAGKR-JOCHJYFZSA-N 440.490 3.611 0 40 IHAB Cn1ncc(Br)c1C(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C(C)(C)C)C2 656561 DTDRYQBSMZWJFN-SECBINFHSA-N 439.379 3.746 0 40 IHAB COc1ccccc1NC(=O)CN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 843972 LHXARFWOFUBLHI-MQSUGXTHSA-N 438.483 3.526 0 40 IHAB CCOc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1 905654 AEWUSGXTQQDXJI-MRXNPFEDSA-N 439.537 3.705 0 40 IHAB COc1ccc(CN(Cc2cc3cccc(C)c3[nH]c2=O)Cc2nnnn2C(C)(C)C)cc1 926249 DUFNXLTWUUTYJJ-UHFFFAOYSA-N 446.555 3.789 0 40 IHAB COc1cccc(OC)c1C(=O)N(Cc1ccc(F)cc1)Cc1nc2ccccc2c(=O)[nH]1 1359108 WRRNLPJNMUMFHV-UHFFFAOYSA-N 447.466 3.922 0 40 IHAB COCCNC(=O)c1c(N)n(-c2ccc(Cl)c(Cl)c2)c2nc3ccccc3nc12 2228035 WNRYBCZRSFOGLB-UHFFFAOYSA-N 430.295 3.839 0 40 IHAB O=Cc1coc2c(CSc3nc4ccccc4c(=O)[nH]3)cc(Br)cc2c1=O 3450904 IKLZQOALJOWTBK-UHFFFAOYSA-N 443.278 3.897 0 40 IHAB O=C(c1ccc2nc(NC(=O)C34CC5CC(CC(C5)C3)C4)sc2c1)N1CCOCC1 4163217 VTTPZROWONMXNP-UHFFFAOYSA-N 425.554 3.924 0 40 IHAB CCOc1cc(NC(=S)NCCCN(C)C)c(OCC)cc1NC(=O)c1ccccc1 6089683 GDFBHGHNIDZNTK-UHFFFAOYSA-N 444.601 3.974 0 40 IHAB CCOCCCNC(=S)N(Cc1cccs1)Cc1cc2cc(OC)ccc2[nH]c1=O 6195367 DKDBMEHLFRFPEJ-UHFFFAOYSA-N 445.610 3.902 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NC2CCCCCCC2)cc1Cl 7881288 VRTCVDBAYNEFMH-UHFFFAOYSA-N 430.998 3.978 0 40 IHAB Cc1cc(=O)c(C(=O)NCC2(N3CCCCC3)CCCCC2)nn1-c1ccccc1F 8313192 SMFCWWPHMPIZRI-UHFFFAOYSA-N 426.536 3.599 0 40 IHAB CC(C)CCC[C@H](C)NC(=O)CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O 8765062 DEFCISKAOIUPOF-UWJYYQICSA-N 426.561 3.742 0 40 IHAB biogenic CN(Cc1ccc(Cl)s1)C(=O)CN1C(=O)N[C@@](C)(c2cccc3ccccc23)C1=O 8896995 AQGCJKUXWYNFQK-QFIPXVFZSA-N 441.940 3.980 0 40 IHAB Cc1ccc(S(=O)(=O)c2nnn3c2nc(N2CCC[C@@H](C)C2)c2sccc23)cc1 9116910 DUPBRWKEUUFCSU-CQSZACIVSA-N 427.555 3.717 0 40 IHAB Cc1sc2nc(S[C@H](C)C(=O)NC[C@H]3CCCO3)n(C3CCCC3)c(=O)c2c1C 9119617 DOAKAYHUKYMERC-GDBMZVCRSA-N 435.615 3.966 0 40 IHAB CCc1ccccc1Nc1nc(N)nc(COC(=O)c2cccnc2SC(F)F)n1 9208830 XDXWJLMAVFOYBB-UHFFFAOYSA-N 432.456 3.827 0 40 IHAB COc1ccc(CC(=O)Nc2nnc(SCC(=O)Nc3ccc(C)cc3)s2)cc1 9364121 YFQGWSYPTHBRDL-UHFFFAOYSA-N 428.539 3.767 0 40 IHAB CCOc1ccc(-c2nnc3ccc(SCC(=O)Nc4cccc(OC)c4)nn23)cc1 9415263 UQYNGZUCUGIWLT-UHFFFAOYSA-N 435.509 3.929 0 40 IHAB CCn1c(C)c(C(=O)Nc2ccc(N3CCN(C(C)=O)CC3)cc2)c2cc(OC)ccc21 9433892 TVVGACSMGQDNQG-UHFFFAOYSA-N 434.540 3.899 0 40 IHAB O=C(CN1C(=O)NC2(CCCCCC2)C1=O)N1CCC(c2nc3ccccc3s2)CC1 9496119 KDKMVQAJIVYGOW-UHFFFAOYSA-N 440.569 3.647 0 40 IHAB C[C@@H]1CCc2c(sc(NC(=O)CSc3nc(-c4cccs4)n[nH]3)c2C(N)=O)C1 9669639 MHIXOGYBLVBKIQ-SECBINFHSA-N 433.584 3.549 0 40 IHAB COc1ccc(CCNC(=O)c2ccccc2NCc2cc(=O)n3cc(C)ccc3n2)cc1 9883035 AUNYACPBYROALQ-UHFFFAOYSA-N 442.519 3.596 0 40 IHAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc4ccccc4n3)CC2)c1C 10026636 LQHIUDSZLFLPMF-UHFFFAOYSA-N 437.565 3.615 0 40 IHAB C[C@@H](C(=O)NCCCc1ccccc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 10110308 XXWGTJKQZPTBPM-AWEZNQCLSA-N 429.369 3.897 0 40 IHAB CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2sc(C)c(C)c2C(N)=O)cc1 10165917 BVDQEQKOMUKAND-UHFFFAOYSA-N 437.587 3.527 0 40 IHAB O=C(CCc1cccc(F)c1)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 10708458 PNAISGVLAGSGKM-UHFFFAOYSA-N 445.343 3.598 0 40 IHAB CCOc1ccc(S(=O)(=O)Nc2ccccc2Sc2nncn2C)cc1OCC 12650726 CBOSAABRUVAKKV-UHFFFAOYSA-N 434.543 3.565 0 40 IHAB Cc1ccc(Cl)cc1S(=O)(=O)N(CCCO)Cc1cc2c(C)ccc(C)c2[nH]c1=O 12714279 YDWYEOLJBHWZGB-UHFFFAOYSA-N 448.972 3.680 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)c(C)c1 12757801 IQUGJAHOENFMFC-UHFFFAOYSA-N 442.990 3.932 0 40 IHAB Cc1cc(Br)ccc1NC(=O)CN(C)[C@@H](C)C(=O)Nc1ccc(Cl)cn1 12785392 YJMQBLACLMYQPX-LBPRGKRZSA-N 439.741 3.703 0 40 IHAB O=C(CN1CCN(C(=O)CCc2ccccc2F)CC1)Nc1ccccc1C(F)(F)F 12896577 LLSDCWUBADEQSS-UHFFFAOYSA-N 437.437 3.560 0 40 IHAB CCOc1ccc2[nH]c(=O)c([C@H]3CC(c4ccc(C)cc4)=NN3C(=O)CCC(=O)O)cc2c1 13014121 QJTAXXBNLKCDFR-JOCHJYFZSA-N 447.491 3.778 0 40 IHAB C[C@H](OC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc(F)cc1Cl 13141021 HQQNXCVUPWFJDA-URNNUDQISA-N 436.911 3.682 0 40 IHAB CSCC[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)N1C(=O)c2ccccc2C1=O 13145595 GRBLVLUSAKQSBT-SFHVURJKSA-N 434.920 3.855 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NC1CCCCC1)Cc1ccccc1 13856355 GJLZJLJNMBDLPC-UHFFFAOYSA-N 430.570 3.643 0 40 IHAB CCn1c(CC(=O)Nc2ccccc2C)nnc1SCC(=O)Nc1ccccc1F 13955829 WAULYYRPCPFOFV-UHFFFAOYSA-N 427.505 3.658 0 40 IHAB CN(CC(=O)N1CCOCC1)c1nc(-c2ccccn2)nc2scc(-c3ccccc3)c12 14077569 VGIKFKJYPRCGMS-UHFFFAOYSA-N 445.548 3.715 0 40 IHAB O=C(Cc1ccccc1)Nc1ccc(NC(=S)NC(=O)c2ccc3c(c2)OCCO3)cc1 14271248 HWUXIGCGOHYUCY-UHFFFAOYSA-N 447.516 3.766 0 40 IHAB CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)Cc2ccc3c(c2)OCCO3)cc1 16016776 KRBJXXCYNWYLKI-UHFFFAOYSA-N 444.553 3.592 0 40 IHAB COc1cc(C(=O)N(C)CC(=O)Nc2cccc(C)c2C)cc(OC)c1Br 16065175 MFUIVAVXZLIFFM-UHFFFAOYSA-N 435.318 3.794 0 40 IHAB CCN(CC)c1ccc(NC(=O)CCc2c(C)nn(-c3nc(C)cc(=O)[nH]3)c2C)c(C)c1 16849703 VRGPYVWJTYIATR-UHFFFAOYSA-N 436.560 3.607 0 40 IHAB Cn1nc(C(C)(C)C)cc1C(=O)N1CCNC(=O)[C@H](Cc2ccccc2-c2ccccc2)C1 19083774 YGKSVVRNJLSLAD-OAQYLSRUSA-N 444.579 3.816 0 40 IHAB Nc1cc(-c2cccs2)nn(CC(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)c1=O 19344132 GSNFSRIZGNRQEB-UHFFFAOYSA-N 443.960 3.836 0 40 IHAB CCOc1ccc(CC(=O)N2CCC[C@@H]2c2n[nH]cc2-c2ccnc(N3CCCC3)n2)cc1 19532885 YPHJKWZWBJVOOX-JOCHJYFZSA-N 446.555 3.772 0 40 IHAB COc1ccc(-c2nnc3n2[C@H]2CCCC[C@@H]2N(C(=O)c2oc(C)nc2C)C3)cc1OC 19559368 ACXLMOYGQPRRCJ-IRXDYDNUSA-N 437.500 3.707 0 40 IHAB Cc1ncsc1-c1nnc([C@@H]2CCCCN2S(=O)(=O)c2ccc(F)c(F)c2)o1 19562711 UGFCSEINVLQDKT-AWEZNQCLSA-N 426.470 3.696 0 40 IHAB CCOCc1cc(CN2CC[C@@H](c3nc(N(C)C)ncc3-c3cncnc3)C2)ccc1OC 19695058 NXFXQAXIMIHMRP-LJQANCHMSA-N 448.571 3.534 0 40 IHAB Cc1nc([C@@H]2CCN(C(=O)Cc3c(C)[nH]c4ccc(F)cc34)C2)ncc1C(=O)N1CCCC1 19757754 JZBHKVLRCSUVRJ-QGZVFWFLSA-N 449.530 3.508 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cccc(F)c1 20006967 HKWJIEIVSOCPJB-HXUWFJFHSA-N 442.512 3.671 0 40 IHAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(C(C)C)cc3)cc2)n1 20111018 PXOROWYRZDEHBM-UHFFFAOYSA-N 440.525 3.727 0 40 IHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 20458139 SPJAYWTWBDSSRS-HXUWFJFHSA-N 441.509 3.687 0 40 IHAB O=c1c2ccccc2n(Cc2ccc(Cl)cc2)c(=O)n1Cc1nc(-c2ccccc2)no1 20562644 DPYXOJGBJRLICU-UHFFFAOYSA-N 444.878 3.963 0 40 IHAB CCOc1ccc(C(=O)NCCc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1C 22227227 FARJXTSKHHXUJM-UHFFFAOYSA-N 444.597 3.977 0 40 IHAB C[C@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 22458138 YQQWGJDORMYHBN-MJGOQNOKSA-N 434.989 3.878 0 40 IHAB CN(Cc1ccccc1OC(F)(F)F)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 24444903 BTNZDFOYHRVQIA-UHFFFAOYSA-N 428.432 3.533 0 40 IHAB COc1ccc(C(=O)N(Cc2c(F)cccc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1Cl 27756256 FYNKEMAWKYLHKA-CYBMUJFWSA-N 446.327 3.971 0 40 IHAB CCn1c(=O)c2ccccc2n2c(CSc3nncn3-c3cccc(Cl)c3)nnc12 29413043 CTGUBSDNVWUFMU-UHFFFAOYSA-N 437.916 3.591 0 40 IHAB CCOc1ccc(-c2nc(Cn3nnn(-c4ccccc4Cl)c3=O)cs2)cc1OC 29950445 JLXTYTGAEBUPSF-UHFFFAOYSA-N 443.916 3.662 0 40 IHAB Cc1c(C(=O)NCc2ccccc2-c2ccc(CN(C)C)cc2)sc2ncn(C)c(=O)c12 31078353 LYWNPTZDOKTAEQ-UHFFFAOYSA-N 446.576 3.962 0 40 IHAB C[C@@H](NC(=O)CN1C(=O)COc2cc(Br)ccc21)c1cc2ccccc2o1 31745605 XYXREASGNCWAFU-GFCCVEGCSA-N 429.270 3.798 0 40 IHAB COc1cccc(-n2cnc3cc(C(=O)Nc4cc(OC)ccc4OC)ccc3c2=O)c1 32096314 MSIBIYUYNLYIOX-UHFFFAOYSA-N 431.448 3.664 0 40 IHAB CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1)c1ccccc1C 32753790 WVJILMGBKMQXKC-UHFFFAOYSA-N 428.554 3.651 0 40 IHAB O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)NC[C@H]1CCCc2ccccc21 32764695 HQTBRABKOCYWQK-GOSISDBHSA-N 432.611 3.702 0 40 IHAB COc1ccc(NC(=O)Nc2snnc2C(=O)N2CCCC[C@H]2c2cccnc2)cc1 33436152 MGQBFKQMRABGOE-KRWDZBQOSA-N 438.513 3.953 0 40 IHAB Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)NC[C@@H](C)Cn3cc(Cl)cn3)c12 36616499 KTVZFWITPFKPHS-GFCCVEGCSA-N 428.949 3.921 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2C(F)(F)F)ccc1OC 39986405 TXTZEFWNIITLHN-UHFFFAOYSA-N 430.448 3.997 0 40 IHAB COc1ccc(NC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)cc1OCc1ccncc1 48248466 BKZMRYFWBPTVKJ-LJQANCHMSA-N 438.528 3.536 0 40 IHAB CC[C@@H]1CCCCN1C(=O)Cn1c(=O)n(-c2cc(C)ccc2C)c(=O)c2sccc21 57492526 MDVQYRQFGTWGMO-QGZVFWFLSA-N 425.554 3.622 0 40 IHAB CCCCn1c(SCC(=O)Nc2cccc(NC(C)=O)c2)nc2cc(C)[nH]c2c1=O 67238561 SAIXQWPTNIMTEK-UHFFFAOYSA-N 427.530 3.522 0 40 IHAB Cc1nc(-c2cccc(NC(=O)C3CN(C(=O)COc4ccccc4F)C3)c2)cs1 70815127 NBXXCCQSDURSKT-UHFFFAOYSA-N 425.485 3.734 0 40 IHAB CCSc1ncc(CN2CCN(c3c(F)cccc3[C@@H](O)c3ccccn3)CC2)cn1 72340724 ACCPFCHNFWPHNH-JOCHJYFZSA-N 439.560 3.527 0 40 IHAB Cc1nc(C[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc(Nc2ncc(C)s2)n1 72382310 XZWHMNAQWQRUMB-KRWDZBQOSA-N 443.598 3.937 0 40 IHAB CNc1cc([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc(CN(C)Cc2ccccc2OC)n1 72391884 ZPCRXFOYKKKYML-OAQYLSRUSA-N 445.567 3.675 0 40 IHAB O=C(c1ccc(Cn2ccccc2=O)o1)N1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 89834940 RCTGAWVVXCJCAZ-GGAORHGYSA-N 431.536 3.616 0 40 IHAB O=C(NCc1nc(-c2ccccc2Cl)no1)c1ccccc1I 95471615 ZJEZRQSWYQNAOH-UHFFFAOYSA-N 439.640 3.925 0 40 IHAB CC(C)[C@H](NC(=O)CCCCCn1nnc2ccccc2c1=O)c1nc2ccccc2[nH]1 96118653 ANPPRFOQZKGNFW-QFIPXVFZSA-N 432.528 3.742 0 40 IHAB CCOC(=O)C[C@H](c1ccc(OCc2ccccc2F)cc1)c1oc(CO)cc(=O)c1O 96335753 RXNSPIVYCQRWPX-LJQANCHMSA-N 442.439 3.641 0 40 IHAB O=C1[C@@H]2[C@H](c3ccccc3)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1c1ccc(Cl)cc1 101343386 DKWSYHLLRYQTAA-UKDJSQQHSA-N 443.890 3.638 0 40 IHAB O=c1c(CN2CCCCCC2)coc(O)c1CN1CCN(Cc2cccc(Cl)c2)CC1 101372851 DTKYPGKGNQHCAO-UHFFFAOYSA-N 445.991 3.693 0 40 IHAB C[C@@H](NC(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1)c1ccc(F)cc1 113949109 ANBSWEMAFGNEAD-OAHLLOKOSA-N 438.952 3.898 0 40 IHAB O=C(C[C@H]1CSc2nc3c(c(=O)n21)CCC3)N1CCCC[C@@H](c2ccc(F)cc2)C1 206670473 ICXCTIACGSAUFO-AEFFLSMTSA-N 427.545 3.704 0 40 IHAB Cc1ccc(CCCNC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 219008685 SBCHCYFRNCGILB-UHFFFAOYSA-N 434.989 3.798 0 40 IHAB COc1cccc(-c2noc(CNC(=O)C3CCN(Cc4ccccc4Cl)CC3)n2)c1 219410421 DITGBSSFENHMKV-UHFFFAOYSA-N 440.931 3.927 0 40 IHAB COc1ccc([C@H](CC(C)C)NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 219697610 NFLFPAVKMBGOCI-FQEVSTJZSA-N 438.977 3.873 0 40 IHAB COC(=O)c1cc(NS(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)ccc1Cl 224087730 ZSHILAXHCZEURX-UHFFFAOYSA-N 428.919 3.608 0 40 IHAB Cc1ccc(OCCNC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1Cl 224131094 IJGFNERZSVJIHV-UHFFFAOYSA-N 445.368 3.571 0 40 IHAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)C1 224180031 DJYNSFDGMLDMIN-WOJBJXKFSA-N 443.613 3.610 0 40 IHAB CS(=O)(=O)N(CC(=O)Nc1nnc(-c2ccccc2)s1)c1cccc2ccccc12 224512829 OWBJZFJZXGZUBV-UHFFFAOYSA-N 438.534 3.763 0 40 IHAB CCc1ccc(CC)c(CNC(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)c1 225854085 JNAGWEVKFPYIIP-UHFFFAOYSA-N 446.588 3.809 0 40 IHAB Cc1cc(N2CCOCC2)nc(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)n1 225978247 NSICLPNNZHUORB-UHFFFAOYSA-N 429.565 3.559 0 40 IHAB CCc1nccn1-c1cccc([C@@H]2CCCN2C(=O)c2ccccc2OCCN(C)C)n1 257223054 DVSAXEPAUWRGST-NRFANRHFSA-N 433.556 3.747 0 40 IHAB CCc1nn(C)c(C(=O)N2CCN(C)C(=O)[C@H]2Cc2ccccc2-c2ccc(F)cc2)c1C 257253463 JZAVYSOBJAYATD-HSZRJFAPSA-N 448.542 3.623 0 40 IHAB COc1ccc(F)cc1-c1ccc(CC2(C(=O)N3CCC[C@@H](O)C3)CCOCC2)cc1 257274633 NLYAPYRQIWMVQD-OAQYLSRUSA-N 427.516 3.824 0 40 IHAB CCc1ccc([C@@H](C)NC(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 260815214 UJVDGEHCGDFHRR-JLTOFOAXSA-N 436.961 3.697 0 40 IHAB Cc1ncsc1CN1Cc2c(nc(C)n2CC2CC2)C2(CCN(c3ncccn3)CC2)C1 306125753 DBHHZRVAUDVSKV-UHFFFAOYSA-N 449.628 3.710 0 40 IHAB CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1 408630117 NWIMWAQNZSEPBG-UHFFFAOYSA-N 435.855 3.610 0 40 IHAB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1cccs1 408642144 DORJAZPXTKQYOH-BIPCEHGGSA-N 442.924 3.673 0 40 IHAB CC1(C)[C@H]2CC[C@]1(C)C(=O)N(c1cccc(S(=O)(=O)Nc3ccccc3F)c1)C2=O 408721513 IZAMPIZNYNXYFU-KSFYIVLOSA-N 430.501 3.942 0 40 IHAB CCCCNC(=O)CSc1nc2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2s1 408992104 ZOVLBYFTFOXIIH-MBZVMHRFSA-N 441.578 3.616 0 40 IHAB C[C@@]1(c2cccc(-c3noc(Cc4csc(-c5ccccc5)n4)n3)c2)NC(=O)NC1=O 517790714 YNYRUTGTNNKKAO-QFIPXVFZSA-N 431.477 3.506 0 40 IHAB COc1nc(C)ccc1C(=O)N1CCCN(C(=O)c2ccc(C)nc2OC)c2ccccc21 539621468 KHEBBVYXJWWCGA-UHFFFAOYSA-N 446.507 3.808 0 40 IHAB O=C(Cc1ccccc1)N1CCO[C@@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1 607855389 SGIBSXYKGKDOAB-JOCHJYFZSA-N 425.916 3.827 0 40 IHAB CCCCc1nc(C)c(CC(=O)N[C@@H]2Cc3ccccc3N(C(=O)C(F)(F)F)C2)s1 1614702616 STHBETMLGWMRCW-OAHLLOKOSA-N 439.503 3.973 0 40 IHAB COc1ccc(F)cc1-c1ccc(CC2(C(=O)NC[C@H]3CCN(C)C3)CCOCC2)cc1 2037838597 PQYIWBXQHHIOAS-HXUWFJFHSA-N 440.559 3.909 0 40 IHAB CCc1cccc(C)c1NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 806915 YYNGWMCQJUERSG-UHFFFAOYSA-N 446.569 3.614 0 40 IHAB Cc1cc(OCC(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)c2c(C)c(C)c(=O)oc2c1 2120059 PSTGDEARZKXXHK-UHFFFAOYSA-N 449.503 3.742 0 40 IHAB biogenic COc1cc(-c2nnc3sc(-c4c(OC)cccc4OC)nn23)cc(OC)c1OC 2403920 KOQXUEHVJYKWAC-UHFFFAOYSA-N 428.470 3.563 0 40 IHAB O=C(Nc1ccccc1F)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 2469133 HQYNHECOUJQKSP-LLVKDONJSA-N 447.351 3.689 0 40 IHAB CC(=O)c1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1 2620080 WXUJXEPKMVVMKD-UHFFFAOYSA-N 428.432 3.545 0 40 IHAB O=C(COC(=O)COc1cccc(Br)c1)Nc1ccccc1OC(F)F 3303630 VRIJZKBJLOFROT-UHFFFAOYSA-N 430.201 3.611 0 40 IHAB C[C@H](NC(=O)COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)c1ccccc1 3482507 SOXVHCHCXLETBB-INIZCTEOSA-N 428.444 3.521 0 40 IHAB CCOC(=O)c1c(CC(C)C)csc1NC(=O)Cn1c(C)nc2ccccc2c1=O 3491418 UIMVCAWNWBYWJV-UHFFFAOYSA-N 427.526 3.780 0 40 IHAB CCc1ccccc1N(CC(=O)NC1CCCCC1)C(=O)CNC(=O)c1cccs1 4875819 VHVREXMIXMXEEM-UHFFFAOYSA-N 427.570 3.522 0 40 IHAB COc1ccc(C(C)(C)C)cc1NS(=O)(=O)c1cc(/C=C/C(=O)O)cc(OC)c1OC 6154251 UNXPQLMNMHMFPM-JXMROGBWSA-N 449.525 3.909 0 40 IHAB CCOc1ccc(NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2CCOC)cc1 6601152 JOERZTNJKZZTEH-UHFFFAOYSA-N 442.541 3.730 0 40 IHAB COc1ccccc1CNC(=O)COc1cc2c(c3oc(=O)cc(C)c13)CCC(C)(C)O2 8791399 JXQFCHPUNIOTFX-UHFFFAOYSA-N 437.492 3.909 0 40 IHAB biogenic COc1ccc(NC(=O)[C@@H]2C[C@H](CCSC)N[C@]23C(=O)Nc2ccc(C)cc23)cc1 8995773 FAPYWKDYRHITMC-NVVBAYIOSA-N 425.554 3.521 0 40 IHAB CCCCN1C(=O)C[C@H](C(=O)Nc2cccc(C(=O)NC3CC3)c2)[C@H]1c1ccc(OC)cc1 9217511 ZJRZDRBOXOMUOS-LADGPHEKSA-N 449.551 3.916 0 40 IHAB COc1ccc(CC(=O)Nc2nnc(SCC(=O)Nc3cccc(C)c3)s2)cc1 9364278 NHTFFXFDYNJYIN-UHFFFAOYSA-N 428.539 3.767 0 40 IHAB COc1ccc(NS(=O)(=O)c2cccc(NC(=O)C3CCC3)c2)cc1Br 9367483 VHTBMNIHJFMLHZ-UHFFFAOYSA-N 439.331 3.997 0 40 IHAB CCS(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(Br)cc3)o2)cc1 9384184 RIHPUTMFVQLWKX-UHFFFAOYSA-N 436.287 3.545 0 40 IHAB Cc1ccc(CN(C(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)[C@@H]2CCS(=O)(=O)C2)o1 9431351 DKZZBVKHPOLIBC-DLBZAZTESA-N 439.961 3.841 0 40 IHAB CCOc1cc(N2CCOCC2)c(OCC)cc1N[C@H](C)C(=O)N1CCc2ccccc21 9492528 IEOIEKHUOCNHBU-GOSISDBHSA-N 439.556 3.710 0 40 IHAB Cc1nn(C)c(C)c1NC(=O)CNC(=O)c1oc2ccccc2c1COc1ccccc1 9499632 YCTKAMPQUYSCNG-UHFFFAOYSA-N 432.480 3.731 0 40 IHAB C[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)c1ccco1 9777814 DDAVLUWRVNZVBN-HNNXBMFYSA-N 442.493 3.733 0 40 IHAB Cc1cccc(-n2c(SCc3nc(-c4cccs4)no3)nnc2N2CCOCC2)c1 9780332 JKCZXKJOWBCFCT-UHFFFAOYSA-N 440.554 3.816 0 40 IHAB COc1ccc(NC(C)=O)cc1NC(=O)c1cccn(Cc2ccc(Cl)cc2)c1=O 10187762 YRAXIYUDJWCQIY-UHFFFAOYSA-N 425.872 3.769 0 40 IHAB Cc1cc(O)c(C(c2ccc(Cl)cc2Cl)c2c(O)cc(C)n(C)c2=O)c(=O)n1C 10217716 TZMPENUXKAJSPM-UHFFFAOYSA-N 435.307 3.599 0 40 IHAB COc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCN(C)C)cc1OC 10233109 RDSHIZOGBXRTCI-QFIPXVFZSA-N 436.508 3.534 0 40 IHAB O=C(Nc1nc2ccc(F)cc2s1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 10337398 MGMFSHIWLIEKNZ-UHFFFAOYSA-N 437.493 3.614 0 40 IHAB CCCCCN1N=C(C)[C@H](C)n2c1nc1c2c(=O)n(Cc2ccc(Cl)cc2)c(=O)n1C 10367899 CELQUTMLWKJKJG-HNNXBMFYSA-N 442.951 3.546 0 40 IHAB CC(=O)N(c1nc([C@H]2NC(N)=Nc3nc4ccccc4n32)cs1)c1cccc(C)c1C 11035580 GPPJRTQLQUITBF-IBGZPJMESA-N 431.525 3.891 0 40 IHAB CCOC(=O)c1c(CC(C)C)csc1NC(=O)CSc1ncnc2c1cnn2C 11679634 JNYRRLTTYHPVQC-UHFFFAOYSA-N 433.559 3.531 0 40 IHAB Cn1c(=O)c2c(SCc3ccc(C(F)(F)F)cc3)nc(-c3ccco3)nc2n(C)c1=O 11758287 YVAKTVXOHMLJLJ-UHFFFAOYSA-N 448.426 3.598 0 40 IHAB CC(C)S(=O)(=O)c1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)cc1 12232717 HRHCQBUVJSVKJM-UHFFFAOYSA-N 428.535 3.948 0 40 IHAB CN(C(=O)CN1CCCCC1)c1nc(-c2ccc3c(c2)CCCN3C(=O)C2CC2)cs1 12326047 QVZSIXACCHRVHX-UHFFFAOYSA-N 438.597 3.948 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)OCc2cc(Cl)c3c(c2)OCO3)c1 12478723 ZAPGDABBKQHTKP-UHFFFAOYSA-N 443.880 3.595 0 40 IHAB COc1ccc(CCNC(=O)[C@@H]2CCCN2C(=O)Nc2ccc(Cl)cc2)cc1OC 12480778 IKJSJGKGRNUBSF-SFHVURJKSA-N 431.920 3.712 0 40 IHAB CC[C@H](C)c1ccccc1N1C[C@H](C(=O)N2CCN(c3cccc(OC)c3)CC2)CC1=O 12538165 BHYNISNZYVEFRQ-VQTJNVASSA-N 435.568 3.910 0 40 IHAB C[C@H](SCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C(=O)N[C@@H](C)c1ccccn1 12565481 SFSDHRHDDYGDJP-STQMWFEESA-N 428.583 3.758 0 40 IHAB CC(C)c1ccc(CN(C(=O)C2CCN(S(=O)(=O)c3ccn(C)c3)CC2)C2CC2)cc1 12738735 HILZEQRCCGRBLY-UHFFFAOYSA-N 443.613 3.740 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCc4cccc(C)c43)CC2)cc1 12805806 XRAMLQORHCYVCG-UHFFFAOYSA-N 442.581 3.774 0 40 IHAB O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCO2)NCc1ccccc1OC(F)(F)F 12819830 FSVCYPQVCQISFF-KRWDZBQOSA-N 436.430 3.810 0 40 IHAB COc1ccc(CNC(=O)CSc2nnc(-c3ccncc3)n2Cc2ccccc2)cc1 13513117 XIOVWEVYAPSMMU-UHFFFAOYSA-N 445.548 3.806 0 40 IHAB Cc1ccc(CSc2nc(=O)c3c(n2C)NC(=O)C[C@@H]3c2ccc3c(c2)OCO3)cc1 13567477 NVEFOXCFHFTJOT-MRXNPFEDSA-N 435.505 3.584 0 40 IHAB CNC(=O)CSc1nc(-c2ccccc2)c(NC(=O)COc2ccc(F)cc2)s1 13575584 DYNUXGZIZDKVPT-UHFFFAOYSA-N 431.514 3.805 0 40 IHAB CC[C@@H](C(=O)Nc1ccc(Br)cc1F)N(c1ccc(F)cc1)S(C)(=O)=O 13715780 TVNNXYBOPZZXHN-INIZCTEOSA-N 447.301 3.911 0 40 IHAB O=c1ccc(-c2cccs2)nn1CCCNS(=O)(=O)c1cccc(Cl)c1Cl 13800062 ZMWZRMLHYPHJNX-UHFFFAOYSA-N 444.365 3.647 0 40 IHAB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1c[nH]nc1-c1ccc(F)cc1 14046057 PSVMDDXLIIFJMZ-UHFFFAOYSA-N 445.292 3.997 0 40 IHAB NC(=O)c1cc(Cl)ccc1OCC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 14200554 WCATUZXCGMGXEO-ZDUSSCGKSA-N 429.929 3.834 0 40 IHAB Cc1cc(-n2c(C)cc(C(=O)CN3CCC(C(=O)Nc4ccccc4O)CC3)c2C)no1 14242195 BQYRXYAZFZZORO-UHFFFAOYSA-N 436.512 3.630 0 40 IHAB O=C(Nc1ccccc1)C1CCN([C@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)CC1 15470106 YVEWXAAOQMFALG-IBGZPJMESA-N 446.334 3.976 0 40 IHAB Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c(Br)c1 15737777 FZSNLHJSWPEUKX-UHFFFAOYSA-N 437.359 3.797 0 40 IHAB O=C(CSc1nc(=O)n(Cc2cccnc2)c2c1CCC2)Nc1ccc(Cl)cc1 15882771 UVRXQEBTABTRQR-UHFFFAOYSA-N 426.929 3.560 0 40 IHAB Cc1cc(C(=O)OCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)c(C)n1Cc1ccco1 16685107 JSENGOQSZSUYQT-INIZCTEOSA-N 435.480 3.667 0 40 IHAB CCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccc6c(c5)OCO6)no4)ccn3n2)cc1 16842341 GYQKZWLMTPKXEN-UHFFFAOYSA-N 441.447 3.552 0 40 IHAB O=C(NCCCS(=O)(=O)N1CCc2ccccc2C1)C(c1ccccc1)c1ccccc1 16849340 FKUYEOIZKDDKSM-UHFFFAOYSA-N 448.588 3.713 0 40 IHAB CC(=O)Nc1ccc(C(=O)N2CCC(c3cc(N(C)C)nc(-c4cccnc4)n3)CC2)cc1 19022298 QSAJFFHOQJDLFO-UHFFFAOYSA-N 444.539 3.583 0 40 IHAB CC(C)C(=O)N1CCC(c2nc(O)cc([C@@H]3CCCN(C(=O)c4cccs4)C3)n2)CC1 19085326 HGVFLALAURCQAA-QGZVFWFLSA-N 442.585 3.626 0 40 IHAB COc1cccc(CC(=O)N2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2cc(C)no2)c1 19121867 DKUJZEDDCMKWGE-HXUWFJFHSA-N 435.528 3.811 0 40 IHAB COc1cccc(CC(=O)N2CCCC[C@H]2c2nc(N(C)C)ncc2-c2cc(C)no2)c1 19121871 DKUJZEDDCMKWGE-FQEVSTJZSA-N 435.528 3.811 0 40 IHAB Cc1ccc(C(=O)N2CCc3nc([C@@H]4CCCN(C(=O)C5CCCC5)C4)nc(O)c3C2)cc1 19135511 PZGDVFMFQMLZLK-HXUWFJFHSA-N 448.567 3.585 0 40 IHAB O=C(Nc1ccc(F)cc1F)[C@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 19860318 XCBVRNWMFMOAPO-AWEZNQCLSA-N 428.888 3.799 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)N(C)C2CCCCC2)c2ccccc2)cc1OC 20048301 OJRJVRJELMYQSY-UHFFFAOYSA-N 446.569 3.690 0 40 IHAB O=C(O)c1cc(NC(=S)NC(=O)c2cc(Br)ccc2Cl)ccc1O 20152014 JLLNWMHEISCSCC-UHFFFAOYSA-N 429.679 3.633 0 40 IHAB CCOc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1OCC 20450872 PKROMPXYFNMFPN-UHFFFAOYSA-N 446.569 3.840 0 40 IHAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc(N2CCCCC2)cc1 20459976 NYWFMUPOLOPEPL-UHFFFAOYSA-N 431.558 3.625 0 40 IHAB CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 20902374 ALURIHJVAHSEQT-UHFFFAOYSA-N 439.512 3.720 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](CC(C)C)c3ccccc3)CC2)cc1 21835706 NBQIBERYIRXYLU-HSZRJFAPSA-N 444.597 4.000 0 40 IHAB CCOc1cc(CNn2c(-c3ccncc3)n[nH]c2=S)cc(Br)c1OC 22111143 QIQXASZAJCFNOA-UHFFFAOYSA-N 436.335 3.916 0 40 IHAB COc1cc(C(=O)Nc2c(Cl)cccc2Cl)c(N(C)S(C)(=O)=O)cc1OC 22251282 NBDZPUPESPVDEX-UHFFFAOYSA-N 433.313 3.659 0 40 IHAB COC(=O)c1cccc(NC(=O)CSc2nnc(COc3ccccc3Cl)n2C)c1 24834336 JMSURLHIGXEACU-UHFFFAOYSA-N 446.916 3.565 0 40 IHAB O=C(c1ccc(Br)cc1)c1ccccc1C(=O)N1CCC2(CC1)OCCO2 24998149 CYKSTJUPZJSONY-UHFFFAOYSA-N 430.298 3.659 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCCSc4ccccc43)C2)s1 28022331 XIBHPQMHEVZNGS-MRXNPFEDSA-N 436.624 3.986 0 40 IHAB O=C(CSc1nc2ncccc2c(=O)n1-c1ccccc1)NCc1ccccc1Cl 32876521 HECDORMXLLVLBH-UHFFFAOYSA-N 436.924 3.843 0 40 IHAB O=C(CSc1nccc(C(F)(F)F)n1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 32903200 MDYTUXFFXLCJMZ-CYBMUJFWSA-N 425.432 3.722 0 40 IHAB CN(C)Cc1ccc(-c2ccccc2CNC(=O)[C@@H]2CCCN2C(=O)c2ccco2)cc1 32908750 UVHZVWUCPWMAHP-QHCPKHFHSA-N 431.536 3.929 0 40 IHAB O=C(O)c1ccc(Cn2cc(/C=c3\sc4nc5ccccc5n4c3=O)c3ccccc32)o1 34690030 JPAHUGSHPSWJDZ-NHDPSOOVSA-N 441.468 3.751 0 40 IHAB Cn1c2ccc(Br)cc2c2nnc(SCC(=O)NC3CCCCC3)nc21 35312676 XIGYCIRJSPIZQH-UHFFFAOYSA-N 434.363 3.820 0 40 IHAB COC(=O)[C@H](NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cccc(Cl)c1Cl)C(C)C 36589860 ZUCJBLACTHVRBP-WBVHZDCISA-N 425.316 3.571 0 40 IHAB CC(=O)N[C@H](C)c1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(C)ccc2O3)cc1 36719503 MERJWJWNRNHRHK-DKLXNKCPSA-N 438.568 3.576 0 40 IHAB COCc1nn2c(C)c(C(=O)Nc3ccccc3C)nnc2c1-c1ccc(OC)c(OC)c1 40372679 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40 IHAB CC1(C)C[C@@H](n2nc(O)c3c2NC(=O)CS[C@@H]3c2ccc(F)c(F)c2F)CCO1 96118401 CFSIYHGGBLPFTN-XXFAHNHDSA-N 427.448 3.911 0 40 IHAB Cn1/c(=N/C(=O)c2cccc(N3C(=O)CCC3=O)c2)sc2cc(Cl)cc(Cl)c21 100892346 HCVMFIMOPDBYMP-QOCHGBHMSA-N 434.304 3.941 0 40 IHAB COc1ccc(Br)cc1CN(C)C(=O)[C@@H](C(C)C)N1C[C@H](C)O[C@H](C)C1 109049955 KFCRDOJWKYRVPL-ZRGWGRIASA-N 427.383 3.550 0 40 IHAB CCOc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(C)c(Cl)c2)CC1=O 111881064 GMHHVOPZLNQEBP-HNNXBMFYSA-N 430.888 3.582 0 40 IHAB CC[C@@H](NC(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O)c1ccc(C)cc1 113943313 AZNDIEMQAPZDTI-LJQANCHMSA-N 432.542 3.537 0 40 IHAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 223001786 OEFSVYIZBTZIIC-SBUREZEXSA-N 444.597 3.996 0 40 IHAB CCc1ccc(CC)c(CNS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCC3)c2)c1 223010980 NRICCTTUDLMEGC-UHFFFAOYSA-N 430.570 3.535 0 40 IHAB CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)COc1ccc(Br)cc1 223226480 KHBFFAHIOSRWSB-SFHVURJKSA-N 437.309 3.520 0 40 IHAB CNC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)cc1 223279345 RXNULCPSPDRIKZ-UHFFFAOYSA-N 428.535 3.763 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCc2ccc(F)cc2)c2cccc(C)c2)cc1 223543916 IHDHFVYMTYPZHJ-UHFFFAOYSA-N 440.540 3.997 0 40 IHAB CC(C)c1ccccc1OCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 223837159 DZANUBXGTDRMGX-SFHVURJKSA-N 448.560 3.545 0 40 IHAB C[C@@H](NC(=O)CSCc1ccc(Br)cc1)c1ccc(S(C)(=O)=O)cc1 223841054 NGNGYJCKJAEXCY-CYBMUJFWSA-N 442.400 3.963 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)NCC2=CCCCC2)c2ccccc2)cc1OC 223848033 SQUKNKNTOMWZAG-UHFFFAOYSA-N 444.553 3.516 0 40 IHAB COc1cccc(CCCNC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)c1 223968846 ZKSLBMYCBTXTET-UHFFFAOYSA-N 442.512 3.998 0 40 IHAB Cc1ccccc1OCCNC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1 224024823 KHMVXQZLTAFBSE-UHFFFAOYSA-N 430.570 3.677 0 40 IHAB Cc1cc(C(=O)NCCCN2CCC[C@@H](C)C2)ccc1N(C)S(=O)(=O)c1ccccc1 224201532 DSILTVYMSBDDLI-LJQANCHMSA-N 443.613 3.672 0 40 IHAB CC[C@H](NC(=O)[C@@H](CC)N(c1ccc(OC)cc1)S(C)(=O)=O)c1ccc(OC)c(C)c1 224553672 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CC[C@@H](C)N1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2cccc(OC)c2OC)C1=O 2100644 KOFQMJHFDMHQST-ZNSVGSLASA-N 447.535 3.669 0 40 IHAB biogenic Cc1ccc(N2C(=O)[C@](NC(=O)c3cccc(Cl)c3)(C(F)(F)F)N=C2O)cc1C 2265080 KEXKOGJAVHZVBA-GOSISDBHSA-N 425.794 3.906 0 40 IHAB COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCN(c2cccc(C)c2)[C@H](C)C1 2309186 GKAJONKWQXICNC-GOSISDBHSA-N 434.540 3.721 0 40 IHAB O=C(c1ccncc1)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccc(Cl)cc1 3653967 ITYBZVWGFUGRFO-UHFFFAOYSA-N 446.893 3.939 0 40 IHAB C[C@@H]1C[C@@H](C)CN(C(=O)Cn2c(SCC(=O)NC3CCCC3)nc3ccccc32)C1 4859305 WVAIYWSYRUTTAD-IAGOWNOFSA-N 428.602 3.692 0 40 IHAB CCCOC(=O)c1ccc(N2C[C@@H](C(=O)O[C@@H](C)C(=O)c3ccc(C)cc3)CC2=O)cc1 8383834 HKFWLTJYYSMFPT-PXNSSMCTSA-N 437.492 3.729 0 40 IHAB CC(C)c1ccc(CN(C(=O)c2cc3ccccc3oc2=O)[C@@H]2CCS(=O)(=O)C2)cc1 8590131 OLWXGJVLBIQIAF-HXUWFJFHSA-N 439.533 3.746 0 40 IHAB O=C(CN1C(=O)N[C@@]2(CCSc3ccc(F)cc32)C1=O)Nc1ccc2ccccc2c1 8862425 KYPHPAIOZIYZCB-HSZRJFAPSA-N 435.480 3.861 0 40 IHAB 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OFHDHNPEDNPHPH-UHFFFAOYSA-N 434.920 3.983 0 40 IHAB O=C(Nc1nnc(COc2ccc(Cl)cc2)s1)[C@@H]1CC(=O)N(C2CCCCC2)C1 10076296 FTZYCRBOIDBRDV-CYBMUJFWSA-N 434.949 3.890 0 40 IHAB O=C(Nc1ccc(N2CCOCC2)cc1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 10237426 DXDUUFJFGPBFFN-UHFFFAOYSA-N 448.972 3.902 0 40 IHAB COc1ncc(C2(O)[C@H]3CCC[C@@H]2CN(Cc2ccc(Cl)c(Cl)c2)C3)c(OC)n1 12181011 DBVJWZUYLJRMAV-YLQYIJTPSA-N 438.355 3.920 0 40 IHAB COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@H]1CCCN(Cc3cccc(OC)c3F)C1)O2 12235430 FKJBRMVKNDEVTA-MHECFPHRSA-N 442.531 3.865 0 40 IHAB Cc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)cc1C 12757724 WPBHDJRQZNONKL-SFHVURJKSA-N 438.553 3.846 0 40 IHAB CC[C@@H](C)NC(=O)c1ccccc1N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 12863736 KRWAWXQYQCTCSQ-BZQUYTCOSA-N 430.508 3.936 0 40 IHAB biogenic C[C@]1(C(=O)N2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)CC1(Cl)Cl 12945715 UKGJVWKAVRBXDD-QGZVFWFLSA-N 429.735 3.618 0 40 IHAB COc1ccc(S(=O)(=O)N2CCN(Cc3ncc(-c4ccc(Cl)cc4)o3)CC2)cc1 12997762 QDKLQNKVMWTZJV-UHFFFAOYSA-N 447.944 3.510 0 40 IHAB COc1ccc(/C=C/C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1OC 13135502 YTWAQPGLAZXVOB-FMIVXFBMSA-N 444.553 3.839 0 40 IHAB COc1cccc(N2CCN([C@H](c3ccccc3)c3nnnn3Cc3ccccc3)CC2)c1 13504575 PLCPOGYELSZSSU-RUZDIDTESA-N 440.551 3.642 0 40 IHAB COCCNC(=O)c1cc2cc(N(Cc3ccc(C)cc3)S(C)(=O)=O)ccc2s1 13584117 IQDDTPNPSSRFNC-UHFFFAOYSA-N 432.567 3.552 0 40 IHAB COc1cccc(CN(CCCN2CCOCC2)C(=S)Nc2cccc(F)c2)c1OC 13688210 ZLZJTSRWXTUUAW-UHFFFAOYSA-N 447.576 3.764 0 40 IHAB CCOC(=O)N[C@@](Nc1nc2ccc(OCC)cc2s1)(C(=O)OCC)C(F)(F)F 13756343 ZHZBBMLWTPTIMU-INIZCTEOSA-N 435.424 3.675 0 40 IHAB COc1cccc(N(CC(=O)Nc2ccc(F)c(F)c2)S(=O)(=O)c2ccccc2)c1 14411456 NDXIXWCJMGBJLK-UHFFFAOYSA-N 432.448 3.807 0 40 IHAB COc1ccc(OC)c(N2CC(=O)N(c3ccccc3OC)[C@@H](c3ccsc3)C2=O)c1 15413458 PWQJPGFOHCJXJY-QFIPXVFZSA-N 438.505 3.895 0 40 IHAB COc1ccccc1CC(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O 16680223 HVKWYKJYVHRDSS-LDADJPATSA-N 430.913 3.744 0 40 IHAB CS(=O)(=O)N1CCC[C@@H]1C(=O)N(Cc1ccccc1)c1nc2c(Cl)cccc2s1 16847939 ITUWIGPCKATFJN-MRXNPFEDSA-N 449.985 3.907 0 40 IHAB O=C(Cc1ccccc1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(Cc1cccs1)CC2 19370241 MKFONCWCVJHGJC-JOCHJYFZSA-N 448.592 3.686 0 40 IHAB O=C(NCc1ccncc1)c1cc([C@H]2CCCN(Cc3ccnc4ccccc34)C2)no1 19376087 CKPVEKDAEPSHQH-FQEVSTJZSA-N 427.508 3.927 0 40 IHAB CCN1CCN(C(=O)c2ccc(OC)nc2)C[C@H](Cc2ccccc2-c2ccccc2)C1=O 19527653 AHGCRPNYRKTTON-QHCPKHFHSA-N 443.547 3.920 0 40 IHAB CN(C)C(=O)[C@]1(Cc2ccc(-c3ccccc3F)cc2)CCCN(C(=O)[C@@H]2CCCO2)C1 19578935 YWHJOFSKRPHXFW-OZXSUGGESA-N 438.543 3.911 0 40 IHAB COc1ccc(-c2cnc(N(C)C)nc2[C@H]2CCCCN2C(=O)CCn2ccc(C)n2)cc1 19694324 MHIXKBZBPUQESH-JOCHJYFZSA-N 448.571 3.867 0 40 IHAB COCCNC(=O)c1sc2ccccc2c1[C@@H]1CN(Cc2ccccc2F)CCO1 19697724 XQXLZLVJEAYKPC-IBGZPJMESA-N 428.529 3.990 0 40 IHAB Cc1nc([C@H]2CCCN(C(=O)c3cc4cc(F)ccc4n3C)C2)ncc1C(=O)N1CCCC1 19763008 KYNIFHPXXZEULF-KRWDZBQOSA-N 449.530 3.672 0 40 IHAB CCOC(=O)[C@@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@@H]1c1ccc(Cl)cc1 19818323 PKJJSRDTLWBESI-VQTJNVASSA-N 441.915 3.842 0 40 IHAB CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@H]1c1ccncc1 19820404 FXRUELOIRHGMOE-VXKWHMMOSA-N 426.476 3.747 0 40 IHAB COc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)cc1Cl 19868589 TYLNMIIENOYTLN-UHFFFAOYSA-N 440.924 3.668 0 40 IHAB COC(=O)Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(CCc1ccc(F)cc1)C3 19890912 QAPKMMVLUALRFL-UHFFFAOYSA-N 425.456 3.659 0 40 IHAB CCc1ccc(NC(=O)C2=C(C)c3cc(OC)c(OC)cc3N(CC)S2(=O)=O)cc1 20064051 LJPSANJEGJRUEI-UHFFFAOYSA-N 430.526 3.806 0 40 IHAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 20245880 ZOZQZBTZTJSURU-UHFFFAOYSA-N 435.855 3.854 0 40 IHAB COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCN(C/C=C/c2ccccc2)CC1 20476875 LCTSVGJYFANFHC-RMKNXTFCSA-N 446.551 3.532 0 40 IHAB CCOC(=O)C1=C(CN2CC=C(c3ccccc3)CC2)NC(=O)N[C@@H]1c1ccc(F)cc1 20557892 VQQMJNDBQRTRSV-HSZRJFAPSA-N 435.499 3.786 0 40 IHAB O=C(Nc1cccc(Br)c1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 20898304 XRDYICJYPRIAED-UHFFFAOYSA-N 437.359 3.630 0 40 IHAB CC(C)[C@H](NC(=O)CCNC(=O)CCC(=O)c1cccs1)c1ccc2c(c1)OCCO2 24354378 BFAZBSFGPMYEGL-QHCPKHFHSA-N 444.553 3.502 0 40 IHAB CCOc1cc2c(cc1NC(=O)Cn1c(-c3ccc(OC)cc3)n[nH]c1=S)O[C@H](C)C2 29129553 HPUZGIPKNMHLJT-CYBMUJFWSA-N 440.525 3.977 0 40 IHAB CN(Cc1nccn1C(F)F)C(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1 31152701 YONBZTZVUNKBQI-QGZVFWFLSA-N 426.467 3.942 0 40 IHAB Cc1sc2ncn(CCC(=O)Nc3cccc(OC[C@H]4CCCO4)c3)c(=O)c2c1C 32776674 KXLUUHZKPPZJJR-GOSISDBHSA-N 427.526 3.661 0 40 IHAB COc1cc(N2C[C@H](C(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)cc(OC)c1OC 32796235 AUNFKJIELZPDKT-GFCCVEGCSA-N 438.402 3.723 0 40 IHAB Nc1nc(COC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)nc2ccccc12 32831392 MZGXDJITEWOYJK-KRWDZBQOSA-N 445.306 3.867 0 40 IHAB O=C(CCCc1c[nH]c2ccccc12)N1CCN(C(=O)c2ccc3c(c2)OCCCO3)CC1 36369889 UMOLCHLVXTZECD-UHFFFAOYSA-N 447.535 3.637 0 40 IHAB biogenic CC(C)NS(=O)(=O)c1cccc(CNC(=O)CCc2cccc(Cl)c2Cl)c1 36392729 QEKRFRRDWHXRIF-UHFFFAOYSA-N 429.369 3.929 0 40 IHAB C[C@H](Sc1nnc([C@H]2COc3ccccc3O2)n1C)C(=O)N1c2ccccc2C[C@@H]1C 36447624 LRCCTNVDOZQGFJ-AUSJPIAWSA-N 436.537 3.786 0 40 IHAB COc1ccccc1-c1cc(C(=O)N2CCN(C(=O)c3ccccc3Cl)CC2)no1 40087377 KNCMZJPHIYIXSU-UHFFFAOYSA-N 425.872 3.602 0 40 IHAB Cc1nccn1-c1ccc(CNC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1 44903732 FLHAHHHWTZPXFK-UHFFFAOYSA-N 446.532 3.912 0 40 IHAB CC(=O)Nc1cccc2c1CCCN2C(=O)[C@@H](CC(C)C)N1C(=O)c2ccccc2C1=O 48309980 ADARYENVURAAQK-JOCHJYFZSA-N 433.508 3.635 0 40 IHAB CSc1sc(NC(=O)CCN2C(=O)c3ccccc3N3C(=O)CC[C@@]23C)nc1C 58139579 HMLCVVIIJCHRBJ-FQEVSTJZSA-N 430.555 3.501 0 40 IHAB COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccco5)c(=O)n42)c2ccccc2CC3)cc1 58864892 JLMKLAZGMQCZGT-DLBLZJNESA-N 440.524 3.920 0 40 IHAB Cc1ccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@H](O)[C@@H]43)CC2)cc1C 59415110 ZZSQDHGSNRGFRY-HPLYJOIUSA-N 438.612 3.710 0 40 IHAB biogenic COc1cc([C@H]2CC(=O)Nc3c(C(=O)O)cn(-c4ccccc4F)c32)cc(OC)c1OC 61719641 GMGCAJJRMLCDJW-CYBMUJFWSA-N 440.427 3.815 0 40 IHAB O=C(Cn1c(=O)cc(-c2nc(-c3ccccn3)no2)c2ccccc21)Nc1ccccc1F 67318522 NXHXOLKXBGZLEL-UHFFFAOYSA-N 441.422 3.891 0 40 IHAB CCSc1nnc(NC(=O)CN2CCC(c3nnc(-c4ccc(F)cc4)o3)CC2)s1 70641650 AVQHVWOWMLKRTR-UHFFFAOYSA-N 448.549 3.657 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Br)o1 71808206 HYZSYCXQSOEKQD-UHFFFAOYSA-N 441.347 3.666 0 40 IHAB O=C(Cc1ccccc1F)NC1CCN(CCOc2ccc(Br)cc2)CC1 72288922 VEHCUNKQZMZIPJ-UHFFFAOYSA-N 435.337 3.790 0 40 IHAB CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)c1ccn(-c2cccc(F)c2)n1 72310402 ZMMLTACASRVUST-KRWDZBQOSA-N 437.393 3.542 0 40 IHAB COc1ccccc1CN1CCC2(CC1)C[C@@]1(CO2)NC(=O)c2cc(Cl)ccc2N1 72325569 VUERKWQNWQJVLE-QHCPKHFHSA-N 427.932 3.655 0 40 IHAB Cc1ccnc(Nc2cc(N3CCN(C(=O)c4ccc(F)cc4Cl)CC3)ncn2)c1 90607904 LEQXINLIJAGKBA-UHFFFAOYSA-N 426.883 3.679 0 40 IHAB O=C(NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cc(-c2ccco2)nn1-c1ccccc1 95444149 NTBBGLGCDGRURN-FQEVSTJZSA-N 440.503 3.911 0 40 IHAB CCN(CC)CCCNC(=O)c1cc(-c2cnc(-c3cccnc3)nc2)cn1CC1CC1 96037791 XAPKISUVKIPCNY-UHFFFAOYSA-N 432.572 3.879 0 40 IHAB COc1cc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3[C@H]2CCOC(C)(C)C2)cc2c1OCO2 96117799 HXXFTKCCJGSVND-UGSOOPFHSA-N 431.514 3.930 0 40 IHAB COc1ccc(CCC(=O)Nc2ccc(N3CCC[C@H](OC)C3)cc2)c(OC)c1OC 96122462 SECUSYZWEWSXIV-FQEVSTJZSA-N 428.529 3.899 0 40 IHAB COc1ccc(NC(=O)[C@@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1OC 113941375 CXNOUDOALCWIFP-LLVKDONJSA-N 447.340 3.804 0 40 IHAB Cc1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1OCC(=O)N(C)c1ccccc1 222805358 SBTNRJQYMQZQLA-UHFFFAOYSA-N 428.485 3.977 0 40 IHAB CCOCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CC 223265162 LHFSRSCXZUWCNU-HSZRJFAPSA-N 426.557 3.588 0 40 IHAB CC[C@@H](C(=O)NCCOc1ccc2ccccc2c1)N(c1ccccc1F)S(C)(=O)=O 223632806 XHMCYUFKIIOLEG-NRFANRHFSA-N 444.528 3.719 0 40 IHAB CCOc1ccc(CNS(=O)(=O)c2ccc(SC)c(C(=O)N3CCCC3)c2)cc1 223853760 WXLUTGNKHYKJCZ-UHFFFAOYSA-N 434.583 3.522 0 40 IHAB CN(c1ccc(C(=O)Nc2cccc(N3CCCC3=O)c2)cc1)S(=O)(=O)c1ccccc1 224180247 CEVCJOGJGDWMJA-UHFFFAOYSA-N 449.532 3.891 0 40 IHAB CCOc1ccc([C@@H](C)NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc1OCC 224393478 WETVWZKTSZORQJ-QGZVFWFLSA-N 446.569 3.905 0 40 IHAB CN(Cc1ccc(F)cc1)C(=O)c1ccc(CN(C)S(=O)(=O)c2ccccc2)cc1 224518142 UFRMPHXASQCUKK-UHFFFAOYSA-N 426.513 3.919 0 40 IHAB COc1ccc(OCC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)cc1 224978879 DZHJCKSQVCGJEV-HXUWFJFHSA-N 438.568 3.983 0 40 IHAB CCN(c1cc(OC)c(OC)cc1C(=O)OC)S(=O)(=O)c1ccc2ccccc2c1 225067811 TYTSCUGUOPIZOG-UHFFFAOYSA-N 429.494 3.859 0 40 IHAB CC[C@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C(C)C 225707634 YLGXGWKBKKFZIG-AWEZNQCLSA-N 447.582 3.973 0 40 IHAB Cc1cccc(-c2nc3sc(=Cc4ccc(-c5ccccc5[N+](=O)[O-])o4)c(=O)n3n2)c1 254714850 YKBFLFZZEKGQOC-UHFFFAOYSA-N 430.445 3.842 0 40 IHAB Cc1noc(C)c1CCC(=O)N1CCC[C@@H](c2n[nH]cc2C(=O)N(C)C2CCCCC2)C1 257227876 FRIPJCSILXOCIK-GOSISDBHSA-N 441.576 3.758 0 40 IHAB c1ccc(OCCN2CCCC2)c(CN2CCOC[C@@H](Cc3ccc4cc[nH]c4n3)C2)c1 257316731 VGSQWRDNADCGHF-NRFANRHFSA-N 434.584 3.729 0 40 IHAB CCc1nnc(Nc2cccc([C@H]3CN(C(=O)c4cccc(C)c4OC)CCO3)n2)s1 257336084 YNBWJLSXHJRNDB-QGZVFWFLSA-N 439.541 3.770 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)CCc3ccccc3)C2)c1 260825738 JTNBKBMUEGOFOY-UNMCSNQZSA-N 428.598 3.842 0 40 IHAB O=C(Nc1cccc(F)c1)c1nnc2n1C[C@@H]1CN(Cc3ccccc3Cl)C[C@@H]1C2 306132782 LSBDLSCRGZKHOH-HOTGVXAUSA-N 425.895 3.627 0 40 IHAB CC(C)[C@@H](C(=O)O)N1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408655613 LDKRLNJEUICCCF-UIHBLGAPSA-N 444.314 3.689 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccccc2C)cc1 408660693 BXCQMDDEVZNQPV-UHFFFAOYSA-N 440.496 3.853 0 40 IHAB COc1ccc(NC(=O)C2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1Cl 408970915 ASEZDLZPPLUOOO-UHFFFAOYSA-N 432.904 3.857 0 40 IHAB CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1)c1ccccc1 409027732 GTVQQBSYZRHBST-UHFFFAOYSA-N 438.505 3.676 0 40 IHAB Cc1c(/C=C2\SC(=O)N(C)C2=O)c2ccccc2n1CC(=O)Nc1ccc2c(c1)OCO2 409364028 VJXPCFMMLARLKM-JMIUGGIZSA-N 449.488 3.983 0 40 IHAB Cc1nccn1CCOc1cccc(CN2CCC(O)(COc3ccc(F)cc3)CC2)c1 585270919 DOTNOILIBWOZJV-UHFFFAOYSA-N 439.531 3.816 0 40 IHAB COc1ccc(-c2cccc(C(=O)N3CCC4(CC3)C[C@@H](NC(C)=O)CCO4)c2C)cc1 585294055 JINKOUUMBCGMAR-NRFANRHFSA-N 436.552 3.961 0 40 IHAB CCn1cc([C@H]2CSCCN2C(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)cn1 683364867 BZWYOMXESXJWTP-PGRDOPGGSA-N 434.565 3.726 0 40 IHAB Cc1ccc(S(=O)(=O)N(Cc2cc3cc(C)cc(C)c3[nH]c2=O)C[C@@H]2CCCO2)cc1 923271 UPPBKZBDYFEWRZ-NRFANRHFSA-N 440.565 3.823 0 40 IHAB C[C@H]1CCc2c(sc3ncn4c(SCC(=O)NCCc5ccccc5)nnc4c23)C1 929611 ZRQBDOWBRYXYCV-AWEZNQCLSA-N 437.594 3.915 0 40 IHAB CCOc1cccc(-c2nnc(SCC(=O)Nc3ccc(Br)cc3)n2N)c1 2438001 LQACTOZZXHVFAS-UHFFFAOYSA-N 448.346 3.551 0 40 IHAB COc1ccccc1OCCC(=O)OCC(=O)Nc1ccc(Br)cc1F 2640978 ZFTKNHYKPJMYDU-UHFFFAOYSA-N 426.238 3.548 0 40 IHAB O=C(CF)N[C@@H](NC(=S)Nc1ccc(Br)cc1)C(Cl)(Cl)Cl 3136762 DVTYFNKWYBFUSJ-VIFPVBQESA-N 437.549 3.518 0 40 IHAB Nn1c(Cc2cccc3ccccc23)nnc1SCC(=O)Nc1cc(F)ccc1F 3294881 CNTHVHGFSSEVNG-UHFFFAOYSA-N 425.464 3.745 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(SC(F)F)cc1 3462320 QNYMBIPXNSBZNA-UHFFFAOYSA-N 442.509 3.583 0 40 IHAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)C(=S)NCCOC)cc2c1 6197779 HIEUUUBFMCGLAM-UHFFFAOYSA-N 427.545 3.753 0 40 IHAB CC[C@@H](C)[C@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1)C(=O)O 6624421 LBFDNUQRUTVLLN-YDFBLROQSA-N 426.513 3.860 0 40 IHAB biogenic CCOc1ccc(-c2ccc(SCC(=O)N3CCN(c4ccccc4)CC3)nn2)cc1 8685263 HEIAHYRUBLEILT-UHFFFAOYSA-N 434.565 3.983 0 40 IHAB CC(=O)Nc1ccc(NC(=O)CSc2nnc(NC(=O)c3cccc(F)c3)s2)cc1 8822131 IGDXNMQOTUMUEH-UHFFFAOYSA-N 445.501 3.619 0 40 IHAB CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C 8876333 JJTCYRWWBGWERI-YCRNBWNJSA-N 445.629 3.728 0 40 IHAB biogenic Cc1ccc2c(=O)cc(C(=O)N(Cc3cccc(Cl)c3)[C@@H]3CCS(=O)(=O)C3)oc2c1 8915162 QGTPFTJWWKEUHU-QGZVFWFLSA-N 445.924 3.584 0 40 IHAB Cc1cc(O[C@@H](C)C(=O)N(Cc2cccc(F)c2)[C@@H]2CCS(=O)(=O)C2)ccc1Cl 8916484 SWVIPWUAHLAHIC-MAUKXSAKSA-N 439.936 3.771 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@H](CC(C)C)N[C@]23C(=O)Nc2ccc(C)cc23)cc1 9058973 VORDSJCBYIFJSS-ZVOVDXHFSA-N 449.551 3.982 0 40 IHAB biogenic CCn1c(SCC(=O)OCC(=O)Nc2ccc(C)c(F)c2)nnc1-c1cccs1 9119743 NCDQDIHSEAHZSF-UHFFFAOYSA-N 434.518 3.748 0 40 IHAB COc1ccc(-c2cc(C(=O)Nc3cccc(S(N)(=O)=O)c3)c3ccccc3n2)cc1 9126579 HIGCDVSERXRJQV-UHFFFAOYSA-N 433.489 3.810 0 40 IHAB CCOc1ccc([C@H]2Nn3c(nnc3-c3ccccc3)S[C@H]2C(=O)N2CCCC2)cc1 9238482 UZEGDIKKXKRMQF-WOJBJXKFSA-N 435.553 3.725 0 40 IHAB CN1CCN(c2ccc(Cl)cc2NC(=O)COc2cccc(Br)c2)CC1 9469343 ILYSSYHXHRBPHV-UHFFFAOYSA-N 438.753 3.872 0 40 IHAB CCOc1ccc(-c2nnc(S[C@@H](C(=O)N3CCOCC3)c3ccccc3)o2)cc1 9478683 NPNCMHSQOVGJJN-LJQANCHMSA-N 425.510 3.828 0 40 IHAB COc1ccc(CCC(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1OC 9589567 LLWHFLXHIMPSDW-UHFFFAOYSA-N 446.569 3.840 0 40 IHAB Cc1ccc(NC(=O)CSc2nnc3ccc(-c4ccc5c(c4)OCO5)nn23)cc1F 9829160 PNJLFVQZXAPUIJ-UHFFFAOYSA-N 437.456 3.698 0 40 IHAB Cc1ccccc1-n1c(S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)nnc1N1CCOCC1 9912532 FTAYVKIBGKBDIB-INIZCTEOSA-N 448.552 3.502 0 40 IHAB COc1cc2nc(NC(=O)CCCS(=O)(=O)c3ccc(F)cc3)sc2cc1OC 10219013 DOKFNBPRUTWXBS-UHFFFAOYSA-N 438.502 3.645 0 40 IHAB C[C@H](c1ccc(F)cc1)N(C)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 10408264 ZUTOLFLPSCOLFU-QGZVFWFLSA-N 433.549 3.903 0 40 IHAB Cc1cc(C(F)(F)F)n2nc([C@H]3CCCCN3C(=O)Cn3nc(C)c(C)c3C)cc2n1 12230291 OTQZVBRDOXUKKC-QGZVFWFLSA-N 434.466 3.932 0 40 IHAB COc1cc(OC)cc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)c1 12533039 XSTQBLCZSSXOGP-UHFFFAOYSA-N 438.933 3.784 0 40 IHAB Cc1ccccc1Nc1nn(CN(CC(C)C)[C@H]2CCS(=O)(=O)C2)c(=S)s1 12594522 VSUPGOSZPWPRBE-HNNXBMFYSA-N 426.633 3.829 0 40 IHAB CCn1c(-c2ccc(Cl)cc2)nn(CN(CC(C)C)[C@H]2CCS(=O)(=O)C2)c1=S 12792307 AWQLRURADNMYTO-KRWDZBQOSA-N 443.038 3.857 0 40 IHAB CC(=O)c1ccc(S(=O)(=O)Nc2cc(-c3nnc4n3CCCCC4)c(F)cc2F)cc1 12941317 KKWUNMNXOXAYGM-UHFFFAOYSA-N 446.479 3.953 0 40 IHAB COc1cc(NC(=O)c2cn(C)nc2-c2ccc3c(c2)OCCCO3)cc(OC)c1OC 12988893 ZORJGTOMKCQOKJ-UHFFFAOYSA-N 439.468 3.527 0 40 IHAB Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)c(C)n1Cc1ccccc1 13114873 JGXVEFSBVPQLIL-AREMUKBSSA-N 427.504 3.729 0 40 IHAB Cc1c(C)n(CC(C)C)c2ncn3nc(CCCN4C(=O)c5ccccc5C4=O)nc3c12 13629792 VTTQLRMRPKJBLW-UHFFFAOYSA-N 430.512 3.581 0 40 IHAB O=C1[C@H]2CC(Cl)=CC[C@H]2C(=O)N1c1ccc(N2C(=O)[C@H]3CC=C(Cl)C[C@H]3C2=O)cc1 13635172 LLATXXZJLCJMCN-FZDBZEDMSA-N 445.302 3.731 0 40 IHAB O=c1oc2c3c(ccc2cc1-c1cc(F)cc(F)c1)OCN(CCCN1CCOCC1)C3 13723979 WBXIHDUYIHKTKH-UHFFFAOYSA-N 442.462 3.612 0 40 IHAB Cc1ccc(NC(=O)[C@@H](C)NC(=O)[C@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)cc1 16020043 YTMHDBHVHWZHEI-DYESRHJHSA-N 437.540 3.800 0 40 IHAB COc1ccc(C2=NO[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)c2cccs2)c(OC)c1 16021711 JHRHMQMLZZDALR-WMZHIEFXSA-N 434.473 3.846 0 40 IHAB O=C(CNS(=O)(=O)c1ccc(Br)cc1)Nc1cc(Cl)ccc1Cl 16084600 WHNPIGJPYFSABR-UHFFFAOYSA-N 438.130 3.673 0 40 IHAB COc1cc(CNCCc2ccc(F)cc2)ccc1OCc1ccc2c(c1)n(C)c(=O)n2C 16363963 MLHQSVYKKYIXPB-UHFFFAOYSA-N 449.526 3.936 0 40 IHAB O=C(Cc1ccccc1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(CC1CCCCC1)CC2 19370186 QCCCYAAKRWWHOL-HSZRJFAPSA-N 434.584 3.615 0 40 IHAB COc1cc(CN[C@H](Cc2cc(=O)[nH]c(C(C)C)n2)c2ccccc2)cc2c1OCCO2 19453596 ITPNVEOAYXLHRN-HXUWFJFHSA-N 435.524 3.747 0 40 IHAB CCN1CCN(C(=O)c2c[nH]nc2C)C[C@@H](Cc2ccccc2-c2ccccc2OC)C1=O 19527684 JFPSGKCCLKDPNF-HXUWFJFHSA-N 446.551 3.557 0 40 IHAB CCNC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CCCN(C(=O)c2c(C)noc2C)C1 19528572 UBMKOZAEKKMKRX-AREMUKBSSA-N 446.551 3.955 0 40 IHAB Cc1nccn1CCC(=O)N1CCC[C@H](c2ccc(C(=O)Nc3ccc(F)cc3)cn2)C1 19705634 OYTFPOMCRAJGRP-IBGZPJMESA-N 435.503 3.774 0 40 IHAB Cc1cc(C)n(CCCC(=O)N2CCC[C@H]2c2ncc(C(=O)Nc3ccccc3)c(C)n2)n1 19755602 GMZQVOSMZCKLMZ-QFIPXVFZSA-N 446.555 3.995 0 40 IHAB COCCNC(=O)c1cc([C@@H]2CN(Cc3cccc(C)c3OC)CCO2)nc2ccccc12 19762361 OUFZOKBXDMJNPA-DEOSSOPVSA-N 449.551 3.502 0 40 IHAB COc1ccc([C@H](C)NC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)cc1OC 20038392 CNCOSGJVXGXZRT-KRWDZBQOSA-N 446.569 3.511 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)c3ccc(C)cc3C)C2)cc1 20045316 HTYWQCARPGHYAA-OALUTQOASA-N 430.570 3.590 0 40 IHAB COc1cc(OC)cc(C(=O)NC(=S)Nc2cc(C(=O)O)c(Cl)cc2Cl)c1 20153501 MWDLPGLMIBFXDE-UHFFFAOYSA-N 429.281 3.836 0 40 IHAB O=C(CNC(=O)c1ccco1)O[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 20789702 QBJZFUXBTBELSM-LJQANCHMSA-N 446.381 3.951 0 40 IHAB COc1ccccc1-c1noc(CSc2nc(CN3CCOCC3)nc3ccccc23)n1 22374445 QSMHEBKCSSISOK-UHFFFAOYSA-N 449.536 3.813 0 40 IHAB O=C(CN1C(=O)c2ccc(Br)cc2C1=O)Nc1cc(Cl)ccc1Cl 22561179 FGAVGYJTUVPVDO-UHFFFAOYSA-N 428.069 3.991 0 40 IHAB O=C(NCCc1ccccc1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 23224483 SEPIXOWJMGZZSX-IBGZPJMESA-N 445.494 3.790 0 40 IHAB COc1ccc(C2=NN(C(=O)CN3CCN(c4ccccc4)CC3)[C@H](c3ccco3)C2)cc1 23379826 BIIFFBOJZBHFTF-DEOSSOPVSA-N 444.535 3.788 0 40 IHAB O=C1c2ccccc2N[C@H](c2ccccc2Br)N1CCCN1CCOCC1 23818954 XKZUXXSJJHVVCD-FQEVSTJZSA-N 430.346 3.738 0 40 IHAB Cc1sc2nc(CN3CCOCC3)nc(NCCc3ccc4c(c3)OCCO4)c2c1C 25778294 ZTKDZSSRRAVLLG-UHFFFAOYSA-N 440.569 3.566 0 40 IHAB O=C([C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1)N1CCCCCC1 26113518 NZMOKVYHGJFCJO-FQEVSTJZSA-N 434.945 3.699 0 40 IHAB O=C(NCCSCc1ccc(Br)s1)[C@@H]1CCCN1C(=O)c1ccco1 30513030 MHUVGXJEWWUQDV-ZDUSSCGKSA-N 443.388 3.758 0 40 IHAB COc1ccc([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1OC 30869740 VOYUZVDISYYAKB-MRXNPFEDSA-N 440.521 3.996 0 40 IHAB O=C1C[C@H](C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)CN1Cc1ccccc1Cl 32073500 AHYUDXKERUVXIU-KRWDZBQOSA-N 447.362 3.852 0 40 IHAB CCN(C(=O)[C@H](C)Sc1ncc(-c2ccc(Cl)cc2)o1)[C@H]1CCS(=O)(=O)C1 32872102 LJZWADBCRRKDND-WFASDCNBSA-N 428.963 3.511 0 40 IHAB Cc1cc(OCC(=O)N2CCN(c3ccc(F)cc3)CC2)nc(-c2ccc(Cl)cc2)n1 35537617 OGJZARLOSDELIZ-UHFFFAOYSA-N 440.906 3.972 0 40 IHAB Cc1cccc(NC(=O)CN2CCN(C(=O)CCc3ncc(-c4ccccc4)o3)CC2)c1C 36489926 BDHJVNCRAMMBHT-UHFFFAOYSA-N 446.551 3.674 0 40 IHAB O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2cccc(Br)c2)N1CCCO 40031518 UXSQJDMFDZNEJL-QGZVFWFLSA-N 432.245 3.622 0 40 IHAB COc1ccccc1CN(C[C@H]1CCCO1)C(=O)c1nn(CC(C)C)c(=O)c2ccccc12 58434154 KDWMBHCIUOOHNX-HXUWFJFHSA-N 449.551 3.883 0 40 IHAB CCc1c(C)sc2ncn([C@H]3CCCN(CC(=O)N4[C@@H](C)CCC[C@H]4C)C3)c(=O)c12 72347733 KVIFAHCOEATTHL-JZXOWHBKSA-N 430.618 3.755 0 40 IHAB Cc1nn(C)c(C)c1[C@H](NC(=O)[C@H](C)Oc1ccc(Br)cc1)C(F)(F)F 78968506 DMBUOKKGQRBEHD-NHYWBVRUSA-N 434.256 3.987 0 40 IHAB CCN(CCN(C)CC(F)(F)F)C(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1 79021480 PETJEFDQLBJGLX-UHFFFAOYSA-N 442.503 3.617 0 40 IHAB Cc1c(C(=O)N[C@@H](C)c2noc(Cc3ccccc3)n2)nnn1-c1cccc2cccnc12 79025353 UWPPTCBAMOAWJW-HNNXBMFYSA-N 439.479 3.589 0 40 IHAB COc1c(Br)cc(Cl)cc1S(=O)(=O)Nc1cc(C(C)=O)ccc1O 95992726 DVICCJBQVWZSJH-UHFFFAOYSA-N 434.695 3.820 0 40 IHAB COc1ccc(-c2noc([C@@H]3[C@H]4CC[C@@H](C4)N3S(=O)(=O)c3ccccc3)n2)cc1OC 100731814 PJIMSUVWZFDBET-UVFQYZLESA-N 441.509 3.668 0 40 IHAB COC(=O)Cn1/c(=N/C(=O)CCOc2ccccc2)sc2cc(Br)ccc21 100876386 XORPCORQFBAVCG-VZCXRCSSSA-N 449.326 3.535 0 40 IHAB Cc1ccc(-n2c(SCC(=O)c3ccc4c(c3)OCO4)nc3ccccc3c2=O)nc1 101469798 YZHZQNPHOATKHL-UHFFFAOYSA-N 431.473 3.793 0 40 IHAB COC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4C)[C@H]3c3cccs3)C2=O)cc1 102914510 JYKHCZXIQIKLBM-PCCBWWKXSA-N 448.500 3.894 0 40 IHAB CCOc1ccc(N([C@@H](CC)C(=O)N[C@@H](C)c2ccc(OC)cc2)S(C)(=O)=O)cc1 220679115 ONCAMJVCGPMNFI-KKSFZXQISA-N 434.558 3.516 0 40 IHAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(OC)cc1 222545218 ABQCGFPUQWDCGL-MBSDFSHPSA-N 426.557 3.968 0 40 IHAB Cc1cccc(N(CC(=O)NCCOCc2ccccc2)S(=O)(=O)c2ccccc2)c1 223463444 XGFJHQNQVNUYCZ-UHFFFAOYSA-N 438.549 3.523 0 40 IHAB Cc1ccc(OCCNC(=O)CCCN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1C 224054812 DWLZAIVWPHFFCM-UHFFFAOYSA-N 432.586 3.662 0 40 IHAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC 224240800 XDKFKBJBIDAKHR-OAQYLSRUSA-N 425.481 3.935 0 40 IHAB Cc1cc(NC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)ccc1N1CCCC1=O 224399778 NMBYKCIDAJZYMR-UHFFFAOYSA-N 441.553 3.613 0 40 IHAB CCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCCOc1ccc(OC)cc1 224580900 SZMBNSPMUJMEMT-QHCPKHFHSA-N 442.556 3.806 0 40 IHAB Cc1ccc(N2C[C@H](C(=O)N3CCC(Oc4nc5ccccc5o4)CC3)CC2=O)cc1C 225680331 YTSUYZIZYFWJJK-GOSISDBHSA-N 433.508 3.868 0 40 IHAB CCN(CC(=O)Nc1cccc(-c2csc(C)n2)c1)S(=O)(=O)c1ccc(OC)cc1 226073766 ZXDFZLAJUBDEDQ-UHFFFAOYSA-N 445.566 3.776 0 40 IHAB CN(C)C(=O)[C@]1(c2ccccn2)CCCN(Cc2cccc(OCc3cccnc3)c2)C1 257207787 BJGDEWDWTYKSLC-AREMUKBSSA-N 430.552 3.678 0 40 IHAB CC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N(C)C(=O)c2cccc3ncccc23)CC1 257208444 BMEFKQDBQAKXIN-RGSZASNESA-N 445.563 3.684 0 40 IHAB CC(=O)N1CCC(N2CC[C@@]3(C)[C@@H]2CCC(=O)N3Cc2ccc(C(F)(F)F)cc2)CC1 257218365 DCWKVVIEQXCFEN-UNMCSNQZSA-N 437.506 3.672 0 40 IHAB CCCN1CCN(Cc2cccnc2N(C)C)[C@@H](Cc2cccc(-c3ccncc3)c2)C1=O 257258395 KTRIWDSYSFKRIV-VWLOTQADSA-N 443.595 3.875 0 40 IHAB O=C1CC2(CCN(C(=O)c3cccc(Nc4ncccn4)c3)CC2)[C@@H](c2ccccc2)CN1 257326115 WVWUYUBCBDCSBW-JOCHJYFZSA-N 441.535 3.746 0 40 IHAB C[C@@H]1CCC[C@@H](C)N1C(=O)c1c[nH]nc1C1CCN(C(=O)Cc2ccccc2F)CC1 257342315 ZOCNHAZCSIXMMV-IAGOWNOFSA-N 426.536 3.901 0 40 IHAB CC[C@H]1CCCCN1CCCNC(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O 260769921 SQOPHEXCVUDCCK-NRFANRHFSA-N 437.650 3.620 0 40 IHAB COC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(NC(=O)c3ccccc3)c2)cc1 408552224 PKNXDEIDEYRYJP-UHFFFAOYSA-N 440.477 3.535 0 40 IHAB COc1cccc(OC)c1C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 409016466 JIAMVBCICUWUAA-UHFFFAOYSA-N 447.329 3.957 0 40 IHAB CC[C@@H](C)Oc1c(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cccc1OC 409023301 XEIXKRAVPNPREO-CXDFQFJYSA-N 437.496 3.712 0 40 IHAB Cc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3F)n2C)cc1Cl 409326842 FGIGDJNJINCGHW-UHFFFAOYSA-N 447.923 3.577 0 40 IHAB Cc1sc2nc(CS[C@H](C)C(=O)N[C@H](C)CN3CCC[C@H](C)C3)nc(O)c2c1C 509648963 DEQDYXJYAOFCHM-WOSRLPQWSA-N 436.647 3.872 0 40 IHAB C[C@@]1(O)CCN(Cc2ccncc2F)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccccc1 604383071 DHWOKRBYMSVEGP-QNWVGRARSA-N 425.529 3.779 0 40 IHAB biogenic,in-vitro C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)[C@@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)C1 605689151 KOUQYDYTWOLFNN-OZOXKJRCSA-N 434.515 3.959 0 40 IHAB CN(C)C(=O)c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2)cc1 1129533337 ZUBVIKPRSUTAEC-NRFANRHFSA-N 437.540 3.823 0 40 IHAB Cc1cc(OCC(=O)Nc2ccc3onc(CN4CCOCC4)c3c2)cc(C)c1Cl 1775970824 RXKHKZNFVCXEDG-UHFFFAOYSA-N 429.904 3.948 0 40 IHAB O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)Nc1ccccc1Br 3298123 PWSCVVYEXUQGPA-UHFFFAOYSA-N 428.069 3.991 0 40 IHAB Cc1cc2oc(=O)cc(COC(=O)[C@@H]3CC(=O)N(CCc4ccccc4)C3)c2cc1Cl 3431349 VQNOSNVSJRBANU-QGZVFWFLSA-N 439.895 3.889 0 40 IHAB O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)c2ccc(F)cc2)C1)c1cccs1 4258921 QWUCOJWAGHRLBB-GOEBONIOSA-N 437.496 3.561 0 40 IHAB biogenic,in-vitro CCc1ccc2[nH]c(=O)c(CN(CCCO)S(=O)(=O)c3cc(Cl)ccc3C)cc2c1 6197716 VOFKEZUKRIMLCJ-UHFFFAOYSA-N 448.972 3.626 0 40 IHAB Cc1cccc(N2CCN(C(=O)COCc3cc(-c4ccc5c(c4)OCO5)on3)CC2)c1C 8596688 IXNTUZKLJFNPPV-UHFFFAOYSA-N 449.507 3.553 0 40 IHAB Cc1c(NC(=O)Cn2c(-c3cscn3)nc3ccccc32)c(=O)n(-c2ccccc2)n1C 9126645 OZYJGHRJWBPVIB-UHFFFAOYSA-N 444.520 3.596 0 40 IHAB Cc1cccc(C(=O)N[C@@H]2C(=O)Nc3c(c(C)nn3C)[C@H]2c2cccc(C(F)(F)F)c2)c1 9252578 CCOIBQROIBYTCJ-MOPGFXCFSA-N 442.441 3.938 0 40 IHAB COc1ccc(OCc2nnc(SCC(=O)Nc3ccccc3SC)n2C)cc1 9263543 FAAUTXKDWBSPSQ-UHFFFAOYSA-N 430.555 3.855 0 40 IHAB Cc1cccc2cc(CN(C[C@@H]3CCCO3)S(=O)(=O)c3ccc(Cl)cc3)c(=O)[nH]c12 9450715 VUSMUHSEZZCBFL-IBGZPJMESA-N 446.956 3.860 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(OC)c(NC(=O)c3ccc(OC)cc3)c2)cc1 9540010 ZKLBIDPLMQRUMW-UHFFFAOYSA-N 442.493 3.766 0 40 IHAB O=C(Nc1nc2ccccc2s1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 9577074 UOCQGLQNBZZLNT-UHFFFAOYSA-N 435.958 3.989 0 40 IHAB CCn1c(SCC(=O)Nc2cc(OC)cc(OC)c2)nc2c(oc3ccccc32)c1=O 9752316 DCIRPNQQVYHXKU-UHFFFAOYSA-N 439.493 3.911 0 40 IHAB C[C@@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 9836378 DHBNFDQGHWYYEQ-LLVKDONJSA-N 440.554 3.554 0 40 IHAB O=C(COc1cccc(-n2cnnn2)c1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 9949683 WTYHRVIBRCEXLR-HXUWFJFHSA-N 448.870 3.665 0 40 IHAB CCCCN(C(=O)c1cc2c(s1)CC[C@H](CC)C2)c1c(N)n(CCC)c(=O)[nH]c1=O 9956535 WHOCNAMWVYZOCL-AWEZNQCLSA-N 432.590 3.552 0 40 IHAB O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 10693318 SBIRLPHORIIKDG-OHNRDTAOSA-N 445.412 3.840 0 40 IHAB COc1cc(C(=O)COC(=O)/C=C/c2ccc(Br)o2)cc(OC)c1OC 11194262 RVXBIRYWEMRNGC-FNORWQNLSA-N 425.231 3.507 0 40 IHAB COc1ccc(NC(=O)CSc2nnc(N3CCC(C)CC3)n2C2CC2)c(OC)c1 11423062 SAOGOBDSUUMKQN-UHFFFAOYSA-N 431.562 3.597 0 40 IHAB CC(C)(C)c1ccc(C(=O)NCCn2ncc3c(=O)n(Cc4ccccc4F)cnc32)cc1 12071534 UMOJGMAQWQPJBW-UHFFFAOYSA-N 447.514 3.508 0 40 IHAB CN(C)C(=O)CSc1ccccc1C(=O)OCc1cc(=O)oc2cc3c(cc12)CCC3 12684859 JKBZLXUPJSIEJA-UHFFFAOYSA-N 437.517 3.819 0 40 IHAB CSc1ccccc1NC(=O)[C@H](C)OC(=O)[C@]12CCC(=O)N1c1ccccc1S2 12908941 WMVKWXJUXYHQAD-YEJXKQKISA-N 428.535 3.908 0 40 IHAB O=C(CNC1=NS(=O)(=O)c2ccccc21)Nc1ccccc1SCc1ccccc1 12993053 YDRSMTOMIOMCQB-UHFFFAOYSA-N 437.546 3.656 0 40 IHAB O=C(CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)Nc1c(F)cccc1F 13058087 MNZUZDUPZJIYQW-UHFFFAOYSA-N 434.796 3.793 0 40 IHAB Cc1ccc([C@@H](c2nnnn2Cc2ccco2)N2CCN(c3ccccc3F)CC2)cc1 13505042 FCHOVAWEAZDIGL-QHCPKHFHSA-N 432.503 3.674 0 40 IHAB CCOc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)cc1 13670153 AOQYOGLVMBYVGE-UHFFFAOYSA-N 436.961 3.843 0 40 IHAB COc1ccc(-c2cc(NC(=O)/C=C/c3ccccc3)n([C@@H]3CCS(=O)(=O)C3)n2)cc1 13685342 CTDZRTSYTMZKKS-LKQLOZHYSA-N 437.521 3.570 0 40 IHAB CS(=O)(=O)N(CC(=O)Nc1cccc(F)c1)c1ccc(OCc2ccccc2)cc1 14155828 SXHMIPFPMZVXIU-UHFFFAOYSA-N 428.485 3.809 0 40 IHAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 14247064 MMHOCJKWLDWJAV-OAQYLSRUSA-N 441.553 3.666 0 40 IHAB CCOC(=O)c1ccc(N(Cc2ccncc2)C(=S)NC(=O)COc2ccccc2)cc1 16687818 YQYIPOLSBBRSII-UHFFFAOYSA-N 449.532 3.745 0 40 IHAB Cc1nn(C(=O)COc2ccc(C(C)(C)C)cc2)c(C)c1S(=O)(=O)N1CCC(C)CC1 16975951 OOKRPXMXCZSIAH-UHFFFAOYSA-N 447.601 3.937 0 40 IHAB C[C@@H](NC(=O)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc2c(c1)CCCC2 17286967 HIWVCMGEOYDKOA-QGZVFWFLSA-N 446.517 3.979 0 40 IHAB COCC(=O)N1CC[C@@](Cc2cccc(-c3ccc(F)cc3)c2)(C(=O)NC(C)(C)C)C1 19082880 IHALWOWPCKMKPQ-VWLOTQADSA-N 426.532 3.815 0 40 IHAB Cc1cccc(-c2ccc(C[C@@]3(C(=O)N(C)C)CN(C(=O)c4ccccn4)CCO3)cc2)c1 19235375 DKHSRVOMYRRCPJ-MHZLTWQESA-N 443.547 3.599 0 40 IHAB NC(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CN(C(=O)CCc2ccccc2)CCO1 19370831 HDHPMVVLLGMQAC-HHHXNRCGSA-N 428.532 3.612 0 40 IHAB CC(C)NC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CCCN(C(=O)[C@@H]2CCCCO2)C1 19448753 HRAYARIZGNEJOM-IGKIAQTJSA-N 449.595 3.994 0 40 IHAB CCCN1CCN(C(=O)c2c[nH]nc2C)C[C@@H](Cc2cccc(-c3cccs3)c2)C1=O 19503080 XUANXVBFDGZYGR-HXUWFJFHSA-N 436.581 4.000 0 40 IHAB COc1ccc(CN2CCN(c3c(F)cccc3[C@H](O)c3nccs3)CC2)c(OC)c1 19552430 XWLVDNYOFQVPBX-QFIPXVFZSA-N 443.544 3.703 0 40 IHAB C=Cn1cc(CN2CCC(C[C@@H]3CC(c4cccc(F)c4)=NO3)(C(=O)O)CC2)c(C)n1 19584165 VFQMUBMLWXQGMH-FQEVSTJZSA-N 426.492 3.681 0 40 IHAB CNC(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCCN(Cc2ccc(OC)cc2)C1 19591276 JDLPNWULZYBLLN-AREMUKBSSA-N 430.552 3.723 0 40 IHAB Cc1nc(C2CCN(CC3=CCCOC3)CC2)nc2c1CCC(=O)N2Cc1ccccc1 19739347 HHYCIXJLLWSTRY-UHFFFAOYSA-N 432.568 3.791 0 40 IHAB Cc1ncc(CN2CCC(Cc3ncncc3C(=O)NCc3ccccc3F)CC2)s1 19756831 NVBSHEGABQYEKD-UHFFFAOYSA-N 439.560 3.765 0 40 IHAB Cc1nc([C@@H]2CCCCN2C(=O)c2cc(C(C)C)n[nH]2)ncc1C(=O)NCc1ccccc1 19764340 UEMFBAIYSRVVLI-QFIPXVFZSA-N 446.555 3.929 0 40 IHAB CCN(CC(=O)N[C@H](C)c1ccccc1OC)S(=O)(=O)c1cc(Cl)ccc1Cl 20014708 ZAMYQGFQAIHXRZ-CYBMUJFWSA-N 445.368 3.890 0 40 IHAB COc1ccc(NC(=O)c2sc3nc4c(cc3c2N)CN(C(C)C)CC4)c(OC)c1 20289858 DQHHCPPJJRDDSA-UHFFFAOYSA-N 426.542 3.915 0 40 IHAB Cc1nc2scc(-c3cccs3)c2c(=O)n1CC(=O)OCc1nc(C(C)C)no1 22750619 NHOYGHJMECBFAN-UHFFFAOYSA-N 430.511 3.745 0 40 IHAB Nc1nc(CN2CCN(C/C=C/c3ccccc3)CC2)nc(Nc2cccc(Cl)c2)n1 22801775 XTRWRVXLOQXDIV-VMPITWQZSA-N 435.963 3.682 0 40 IHAB Cc1onc(-c2ccccc2)c1-c1nnc(CN2CCN(C(=O)c3cccs3)CC2)o1 23968691 PKMQPXDZEGOWLR-UHFFFAOYSA-N 435.509 3.720 0 40 IHAB CC(C)(c1ccccc1)c1ccc(OC[C@@H](O)Cn2c(CC(N)=O)nc3ccccc32)cc1 25265738 VLDURPZQNAXGHE-NRFANRHFSA-N 443.547 3.830 0 40 IHAB CCCN(C(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 32743485 AFXRVXBMXBRYLQ-CQSZACIVSA-N 449.882 3.584 0 40 IHAB O=C(C1=Cc2cc(Br)ccc2OC1)N1CCC[C@@H](c2nnc3ccccn23)C1 32906605 XYDBJTJOIPFCAU-CQSZACIVSA-N 439.313 3.674 0 40 IHAB CN(C)S(=O)(=O)c1ccc(SCC[S@@](=O)c2cc(Cl)ccc2Cl)nc1 32934824 GRKSMSFHWXOEFL-DEOSSOPVSA-N 439.411 3.539 0 40 IHAB CSc1ccc(-c2noc(CCn3nc(-c4ccc5c(c4)OCO5)ccc3=O)n2)cc1 33309724 ZEWRXCAEISDDEW-UHFFFAOYSA-N 434.477 3.654 0 40 IHAB CCc1ccccc1NC(=O)C[S@](=O)c1nnc(Cc2ccc(Cl)cc2)n1CC 35683080 LSWRUHBBLXLLRI-GDLZYMKVSA-N 430.961 3.851 0 40 IHAB COc1c(C(=O)NC(C)C)cn(C)c1-c1nc2cc(NC(=O)C3CCCC3)ccc2n1C 36370118 TVBIWDKAXXGXMI-UHFFFAOYSA-N 437.544 3.854 0 40 IHAB biogenic C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 36396549 KOOYBPSPEFYTKQ-HSQYWUDLSA-N 447.535 3.634 0 40 IHAB CCN(CC(=O)Nc1cc(Cl)ccc1Cl)S(=O)(=O)c1cc(F)ccc1OC 39986322 HDKABANYXGFWLY-UHFFFAOYSA-N 435.304 3.790 0 40 IHAB O=C(CCS(=O)(=O)C1CCCC1)Nc1ccc(F)c(NC(=O)Cc2ccccc2)c1 40145852 TWRRDCAPYYMZMO-UHFFFAOYSA-N 432.517 3.693 0 40 IHAB Cc1cn2c(=O)cc(COc3cccc(NC(=O)COc4ccc(F)cc4)c3)nc2s1 41077409 PXWXXEXOYCHYEP-UHFFFAOYSA-N 439.468 3.800 0 40 IHAB Cc1ccc(C)c(NC(=O)Cn2c(=O)n(CCc3ccccc3)c(=O)c3ccccc32)c1 44839598 OYGREVYHPUIROA-UHFFFAOYSA-N 427.504 3.661 0 40 IHAB Cc1ccccc1OCC(=O)NC(=S)NCc1ccc(-c2nc3ncccc3o2)cc1 57328088 ATOUFJSZSDBBHR-UHFFFAOYSA-N 432.505 3.768 0 40 IHAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COc1ncnc2ccc(Br)cc12 58391151 DXTSZELPKDXKFQ-GFCCVEGCSA-N 441.285 3.535 0 40 IHAB O=C1COc2ccc(NC(=O)[C@H]3CCCN(C(=O)c4ccc(Cl)c(Cl)c4)C3)cc2N1 58394200 WWYLFJRAMXQNGS-ZDUSSCGKSA-N 448.306 3.815 0 40 IHAB Cc1ccc(Sc2nccn3c(=O)n(CC(=O)NCCC4=CCCCC4)nc23)c(C)c1 65151089 ZVTNJPJUZOLVMS-UHFFFAOYSA-N 437.569 3.666 0 40 IHAB CCCCN(CC)C(=O)Cn1nc2cc(C)nc(-c3ccc(C(F)(F)F)cc3)n2c1=O 67226430 QRLIMGQVIRNXEZ-UHFFFAOYSA-N 435.450 3.534 0 40 IHAB CCCS(=O)(=O)c1ccccc1C(=O)Nc1cc(C(=O)OC)n(Cc2ccccc2)c1 72304423 FERVXTABNGSXAH-UHFFFAOYSA-N 440.521 3.759 0 40 IHAB Cn1nc(-c2ccccc2)cc1C(=O)N1CCc2nc(NC(=O)c3ccco3)sc2C1 77192079 DDZCGOCDZHNFAY-UHFFFAOYSA-N 433.493 3.587 0 40 IHAB Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC[C@@H]3CCN(CC(C)C)C3)c2)c1 84211140 MAIUFDRCDWILQU-FQEVSTJZSA-N 443.613 3.812 0 40 IHAB COc1ccc(C(=O)[C@H]2CCCN2S(=O)(=O)c2cc(Cl)c(N)c(Cl)c2)cc1 89438692 DAJHQKSFRJHAGK-MRXNPFEDSA-N 429.325 3.620 0 40 IHAB CCOc1cc(CNC[C@@H]2COC3(CCCCC3)O2)ccc1OCC(=O)N1CCCCC1 95463775 WZCTZZHUJXXMMY-OAQYLSRUSA-N 446.588 3.642 0 40 IHAB COc1ccc2c(c1)CCN(C(=O)[C@H]1C[C@H]3CC[C@@]1(C)C[C@]31NC(=O)c3ccccc3N1)C2 100117383 PWOBWHXWAHNHDG-IKQMQHRKSA-N 445.563 3.958 0 40 IHAB Cc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 220373221 IEWPPWBRUNEPBX-IAGOWNOFSA-N 438.977 3.695 0 40 IHAB COc1cc(C)c(S(=O)(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1C(C)C 223892876 FNAVMLRRNOMHAI-HNNXBMFYSA-N 425.572 3.570 0 40 IHAB CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccc(OC)cc1 223923704 FDFRXZIGURMMSP-MRXNPFEDSA-N 447.373 3.944 0 40 IHAB COc1cc2c(cc1S(=O)(=O)NCc1nc(-c3cccc(Cl)c3)no1)CCCC2 224816700 JSMRGYOEBWPGBS-UHFFFAOYSA-N 433.917 3.756 0 40 IHAB CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(OC)c(OC)c1 225033907 SSSANWWAIDFXND-SFHVURJKSA-N 442.556 3.589 0 40 IHAB Cc1nc([C@@H]2CCCN(C(=O)CC3CCCCC3)C2)nc(C)c1CC(=O)N1CCCC1 257297143 RGBXLDWNZBQQCT-OAQYLSRUSA-N 426.605 3.935 0 40 IHAB CC[C@H](C(=O)N[C@H](C)c1ccc(OC)cc1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O 260512309 VYTFAROHLGLYDK-BFUOFWGJSA-N 442.940 3.910 0 40 IHAB COc1cccc(CNC(=O)c2cnn3c2CN(Cc2ccsc2)Cc2cccnc2-3)c1 306125695 CYMGVMVEQQOIIP-UHFFFAOYSA-N 445.548 3.783 0 40 IHAB COc1cc(OC)c(OC)cc1/C=C1/SC(=O)N(CC(=O)Nc2ccccc2C)C1=O 409155120 BUVGBHFWEVRIDR-VXLYETTFSA-N 442.493 3.696 0 40 IHAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@@H]3C)C2=O)c(C)cc1OC 409210575 LDOGOUIBLWHTTD-CCRNYGKSSA-N 432.542 3.840 0 40 IHAB Cc1ccc(Cl)cc1N(CC(=O)NCCCOC(C)C)S(=O)(=O)c1ccccc1 409267687 XBXAVUKZOYJHQW-UHFFFAOYSA-N 438.977 3.775 0 40 IHAB COc1cccc(N(CC(=O)Nc2c(F)cccc2F)S(=O)(=O)c2ccccc2)c1 409320637 QSDVVYAVWIRHKE-UHFFFAOYSA-N 432.448 3.807 0 40 IHAB Cn1cc(NC(=O)CCCCCN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@H]23)cn1 524732698 KRLZAJIFFNQXHE-HSZRJFAPSA-N 443.507 3.734 0 40 IHAB O=C1CCCC[C@]2(CN(C(=O)c3cccc(Oc4ncccn4)c3)C[C@H]2c2ccccc2)N1 585261706 XWSZUNFIRLVHED-BKMJKUGQSA-N 442.519 3.938 0 40 IHAB O=C(c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1)N1CCN(C2CC2)CC1 620734370 UBYBTQBEWUGDFW-UHFFFAOYSA-N 441.457 3.873 0 40 IHAB CCCCNC(=O)c1ccc2c(c1)OCCCCCNC(=O)CN(Cc1ccccc1)C2 643573598 ZKOCPJFGFYZQCY-UHFFFAOYSA-N 437.584 3.898 0 40 IHAB COc1cc2c(cc1NC(=O)N1CC[S@](=O)C[C@H]1c1cnn(C)c1)oc1ccccc12 1615542074 SEOSJXBPDIPQEB-DRKIFQHWSA-N 438.509 3.666 0 40 IHAB COc1ccc2c(=O)n(CC3CCN(C(=O)Cc4ccccc4Cl)CC3)cnc2c1 1848805928 AVNLCCXBCYYDJV-UHFFFAOYSA-N 425.916 3.540 0 40 IHAB Cc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)Cc3nnnn3C3CCCCC3)cc2c1 925704 QFFKZONPFRKUSX-UHFFFAOYSA-N 443.555 3.926 0 40 IHAB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)OCC(=O)NC2CCCCCC2)cc1 2617300 MWXTZZQHCNJRCS-UHFFFAOYSA-N 444.553 3.508 0 40 IHAB O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)Nc1cc(Cl)c(Cl)cc1Cl 2617747 HKODMIZPNLALOC-LJQANCHMSA-N 438.698 3.979 0 40 IHAB O=C1COc2ccc(C(=O)COC(=O)CCCSc3nc4ccccc4s3)cc2N1 2625325 ZQJOUPZZMZDYDR-UHFFFAOYSA-N 442.518 3.926 0 40 IHAB O=C(Cn1c(=O)c(=O)n(Cc2ccccc2)c2ccc(Cl)cc21)Nc1cccc(F)c1 2644333 NTZFMUWFXFTZDP-UHFFFAOYSA-N 437.858 3.643 0 40 IHAB O=C(Nc1ccc(Br)cc1)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 3022458 NCWNWZJTKKDEJR-UHFFFAOYSA-N 427.295 3.625 0 40 IHAB CCCCCCn1nc(C(=O)OCC(=O)NCc2ccc(F)cc2)c2ccccc2c1=O 3290741 COEGVMNXCIAJNT-UHFFFAOYSA-N 439.487 3.589 0 40 IHAB CCCCc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCCN(C)CC3)c2)cc1 3306194 JBSSYUKFGUVSKB-UHFFFAOYSA-N 429.586 3.608 0 40 IHAB COc1ccc(-c2csc(NC(=O)COC(=O)c3ccc(Br)o3)n2)cc1 3362904 LEOSQBZGQZBURC-UHFFFAOYSA-N 437.271 3.970 0 40 IHAB aggregator Cc1sc2ncnc(Oc3ccc(S(=O)(=O)N4CCOCC4)cc3Cl)c2c1C 3372717 HAFMFTKTJVLTDV-UHFFFAOYSA-N 439.946 3.775 0 40 IHAB Nn1c(SCC(=O)Nc2ccccc2OC(F)F)nnc1-c1ccc(Cl)cc1 3373168 MJXKVZWHIXYUSC-UHFFFAOYSA-N 425.848 3.645 0 40 IHAB COC[C@H](C)n1c(SCC(=O)N[C@@H]2CCCc3ccccc32)nc2ccccc2c1=O 3396341 FDJNCCGJOWIIRN-OXJNMPFZSA-N 437.565 3.890 0 40 IHAB Cc1cc2cc(CN(Cc3ccccc3)C(=S)NCCCN(C)C)c(=O)[nH]c2cc1C 6320847 XDDBWVCEJUVXDI-UHFFFAOYSA-N 436.625 3.973 0 40 IHAB CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1 9096310 ZWEKOWRNRQRTMW-UHFFFAOYSA-N 438.615 3.931 0 40 IHAB C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)N2CCCc3ccccc32)C1=O 9124854 NCEOUPQWDUWUEO-OAQYLSRUSA-N 432.307 3.740 0 40 IHAB COc1ccc(C(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccccc4C)C3)s2)cc1OC 9199593 RRPZBNQNONFUGH-OAHLLOKOSA-N 438.509 3.637 0 40 IHAB CCOc1ccc(C(=O)Nc2nnc(SCC(=O)N3CCc4ccccc43)s2)cc1 9366531 CEHMXDZKDGERHQ-UHFFFAOYSA-N 440.550 3.871 0 40 IHAB CCN(c1ccc(C)cc1)S(=O)(=O)c1nnc(NC(=O)CCc2ccccc2)s1 9405025 DWXHDXJRLLXYNV-UHFFFAOYSA-N 430.555 3.633 0 40 IHAB Cc1c(Cc2ccccc2)c(=O)oc2c3c(ccc12)OCN(CCCN1CCOCC1)C3 9409957 GOFUGLZJCMRVMM-UHFFFAOYSA-N 434.536 3.566 0 40 IHAB Cc1cc(OCC(=O)N2CCN(c3cccc(Cl)c3)CC2)c2c(C)cc(=O)oc2c1 9433867 NGDXOMWUXDEMDR-UHFFFAOYSA-N 426.900 3.791 0 40 IHAB Cc1cccc2nc(C(=O)Nc3ccccc3C(=O)NCc3ccc4c(c3)OCO4)cn12 9728089 WZGZOUDEWPIRNK-UHFFFAOYSA-N 428.448 3.554 0 40 IHAB CC1=C(C(=O)N(C)C)[C@H](c2c(F)cccc2F)NC(=S)N1c1ccc2c(c1)OCCO2 9793591 DGGWHYRETDCXDC-HXUWFJFHSA-N 445.491 3.534 0 40 IHAB O=C(/C=C/c1cn(Cc2ccccc2)nn1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 9912372 UZJLGXNGCAECKU-RSNBEDGSSA-N 430.508 3.865 0 40 IHAB COc1cccc(NC(=O)[C@@H](OC(=O)CCn2c(C)csc2=O)c2ccccc2)c1 9960852 YKWRFEDRSUJOKG-FQEVSTJZSA-N 426.494 3.540 0 40 IHAB CN(C)CCN(C(=O)c1ccc(Cl)s1)c1nc2ccc(S(C)(=O)=O)cc2s1 10337350 DNWFAYPREILVDY-UHFFFAOYSA-N 444.003 3.623 0 40 IHAB Cc1ncc(-c2ccncc2)c(-c2ccc(CNC(=O)c3c(C)cc(C)n(C)c3=O)cc2)n1 12222993 SZKCMRZHNNWBBN-UHFFFAOYSA-N 439.519 3.760 0 40 IHAB CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CCCNC(=O)c1ccco1 12483847 RXJVEJGQXHOINH-UHFFFAOYSA-N 426.300 3.584 0 40 IHAB CC[C@@H](C)N(Cc1ccccc1)C(=O)/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1 12796223 NMMVISCETJKKOS-RDPWEWGOSA-N 442.581 3.548 0 40 IHAB COc1ccccc1[C@H](CNC(=O)CCc1nc(-c2ccc(C)cc2)no1)N1CCCC1 12797271 QMLAZTGRVZZTDL-NRFANRHFSA-N 434.540 3.940 0 40 IHAB Cc1c(C(=O)N(C)CCOc2ccc(F)cc2)sc2nc3n(c(=O)c12)CCCCC3 12946439 HNPMQVYRWOPSGE-UHFFFAOYSA-N 429.517 3.783 0 40 IHAB Nc1nc(SCC(=O)N(Cc2ccc(F)cc2)c2nc(-c3ccccc3)cs2)n[nH]1 12983804 VARXBYSHSLBPFH-UHFFFAOYSA-N 440.529 3.975 0 40 IHAB CCOc1cc2ccccc2cc1C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 12992193 FTLHIGZZLIOPKM-UHFFFAOYSA-N 435.499 3.774 0 40 IHAB CCOC(=O)C1=C(CC)Nc2ccccc2N=C1NC(=O)COc1ccccc1OCC 13037855 WACPDNDILKFWGC-UHFFFAOYSA-N 437.496 3.963 0 40 IHAB C[C@H](c1nnc(-c2cccs2)o1)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 13164924 PHSNDICWFDTTBD-CYBMUJFWSA-N 426.498 3.939 0 40 IHAB COc1cc([C@H]2CC(=O)Nc3nc(SCc4cccc(Cl)c4)[nH]c(=O)c32)ccc1O 13567406 QQOXHMILRRDCID-CQSZACIVSA-N 443.912 3.904 0 40 IHAB COc1ccc(CNC(=O)COc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)cc1 13655772 HJWGEUCCOJWNCX-UHFFFAOYSA-N 431.444 3.869 0 40 IHAB biogenic COC(=O)[C@H](CC(C)C)NC(=O)CCN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc12 13955630 UOXXBXZFBJUJPO-UPVQGACJSA-N 447.535 3.807 0 40 IHAB CC(C)C(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc3c(c2)OCCO3)CC1 14291154 JZIURPFACZFALW-UHFFFAOYSA-N 443.931 3.668 0 40 IHAB O=C(c1ccccc1Oc1ccccc1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 14694369 GDZFWAGNFULCIX-UHFFFAOYSA-N 440.496 3.765 0 40 IHAB COc1ccc(CNC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)cc1OC 15700358 RDIQDDIQXUCEQF-UHFFFAOYSA-N 440.521 3.743 0 40 IHAB Cc1nc(S(=O)(=O)c2ccccc2)c(SCC(=O)Nc2ccc(F)c(F)c2F)o1 16045537 HCHLNIWDNQXEAB-UHFFFAOYSA-N 442.440 3.964 0 40 IHAB Cc1ccc(-c2csc3c(=O)n(C)c(SCC(=O)NCc4ccco4)nc23)cc1 16846045 DYQMPWDNMMBZDM-UHFFFAOYSA-N 425.535 3.972 0 40 IHAB CCN(C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)OC)c1ccccc1 16958935 VAAUOUWBAOPGLI-YADHBBJMSA-N 439.556 3.538 0 40 IHAB Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1NC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)O 17101917 AERZNFQRFULWTE-YVSFHVDLSA-N 438.311 3.672 0 40 IHAB C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)c1cccs1 17842278 JKAVNVSJZADHAI-MRXNPFEDSA-N 432.611 3.905 0 40 IHAB CCS(=O)(=O)N1CCC(C(=O)N(CCc2ccccc2)Cc2ccc(C)s2)CC1 19311624 UCDJCZCFZBCGQL-UHFFFAOYSA-N 434.627 3.690 0 40 IHAB CCN1C[C@@H](C(=O)NCc2ccc(-c3nc(C(C)C)ncc3-c3cc(C)no3)cc2)CC1=O 19526983 ZCVIEPXWOORYCY-IBGZPJMESA-N 447.539 3.715 0 40 IHAB COc1ccc(CN2CCNC(=O)[C@@H](Cc3ccccc3-c3cccnc3)C2)c(OC)c1 19552441 AFVSPXJNUJQGGE-QFIPXVFZSA-N 431.536 3.557 0 40 IHAB COc1ccc2c(c1)c([C@H](O)CN1CCC3(CC1)C[C@@H](O)c1ccccc1O3)c(C)n2C 19581540 LWWKYMNXUATLNO-DHIUTWEWSA-N 436.552 3.879 0 40 IHAB CN(C)c1ncc(-c2ccc(F)cc2)c([C@H]2CCCCN2CC(=O)NCc2ccccn2)n1 19694330 QPXRKWREDVUTGY-JOCHJYFZSA-N 448.546 3.587 0 40 IHAB COc1ccc(-c2n[nH]cc2CN2CCO[C@@H](c3c(C(N)=O)sc4ccccc34)C2)cc1 19697620 IZHLXNKEDKJHSD-LJQANCHMSA-N 448.548 3.972 0 40 IHAB COc1c(C)cccc1CN1CC[C@@H](c2cc(C(=O)N(C)CCO)c3ccccc3n2)C1 19761964 NEZZXFMPKZJSSU-LJQANCHMSA-N 433.552 3.606 0 40 IHAB Cc1nc(C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)ncc1C(=O)N1CCOCC1 19766540 BAOPNCSIJYTNEC-UHFFFAOYSA-N 449.382 3.944 0 40 IHAB O=C(CN1N=C(c2ccccc2)c2cc(Cl)ccc2S1(=O)=O)Nc1cccc(F)c1 21942473 LXNOPXDWVDGFQK-UHFFFAOYSA-N 443.887 3.875 0 40 IHAB CC(C)(C)C(=O)NCc1ccc(C(=O)COC(=O)c2cnn(Cc3ccccc3)c2)s1 21997642 YXZMRIFWVHSTAG-UHFFFAOYSA-N 439.537 3.695 0 40 IHAB COC(=O)c1ccc(Cl)c(NC(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)c1 22393913 NVAUEWWBRQTFOX-UHFFFAOYSA-N 438.933 3.655 0 40 IHAB CCOc1ccccc1CNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 22427891 SEBDDBDZULDPLW-UHFFFAOYSA-N 438.549 3.905 0 40 IHAB COc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)cc1 22509836 INXOCNKWHDPCEL-KNQAVFIVSA-N 444.597 3.547 0 40 IHAB O=C(COC(=O)c1ccc(-c2ccccc2)cc1)NCc1ccc(CN2CCOCC2)cc1 23873239 MLVCBKMLAPPEFY-UHFFFAOYSA-N 444.531 3.659 0 40 IHAB CC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2ccc(CN3CCOCC3)cc2)cc1 24210539 GWRPUTDMHNDSJK-UHFFFAOYSA-N 425.529 3.796 0 40 IHAB CC1(C)Cc2cccc(OCCNC(=O)C3CCN(C(=O)c4cccs4)CC3)c2O1 24449897 KIOFECHMXWWPPZ-UHFFFAOYSA-N 428.554 3.509 0 40 IHAB Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]2[C@H]2CCCN21 33711923 LKCKDRMAWUHSIF-LAWREARLSA-N 437.499 3.579 0 40 IHAB COc1cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=S)N=C2O)ccc1OCC#N 33881582 AKPUEFDJJXIUOM-XNTDXEJSSA-N 427.869 3.923 0 40 IHAB CC(C)n1nccc1NC(=O)[C@H](C)N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 40135417 JXBBCMVTTKMTLF-AWEZNQCLSA-N 433.940 3.501 0 40 IHAB CC(C)CCNC(=O)C1CCN(C(=O)CCc2ncc(-c3c(F)cccc3F)o2)CC1 40146876 GQMDLNYVVFIXNQ-UHFFFAOYSA-N 433.499 3.953 0 40 IHAB CN1CCN(c2ccc(C(F)(F)F)cc2NC(=O)N2CCO[C@H]3CCCC[C@@H]32)CC1 58158809 NAGQDLNGZSWQAK-OALUTQOASA-N 426.483 3.633 0 40 IHAB CCCC(C)(C)NC(=O)c1nnn(-c2cccc3c2CCN(C(=O)NC(C)(C)C)C3)c1C 69899723 KLVJUNVUSCGXBW-UHFFFAOYSA-N 440.592 3.750 0 40 IHAB C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@@]4(O)[C@H]5C[C@@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1 70707827 NQGYOUYEGZOZBN-URHVSPHNSA-N 431.661 3.678 0 40 IHAB COc1ccccc1CN1CCCc2c(C)nc([C@@H]3CCCN3C(=O)CN3CCCC3)nc21 72372880 AGWDDAXTRGDXQB-QFIPXVFZSA-N 449.599 3.506 0 40 IHAB COc1cc(OC)c2c(C)c(CC(=O)NCCn3ccc4ccc(F)cc43)c(=O)oc2c1 72402088 IUTPDNYVTHWKBB-UHFFFAOYSA-N 438.455 3.571 0 40 IHAB O=C(Nc1ccc(C(=O)N2CCC(O)CC2)cc1)c1cccc(NC(=O)c2cccs2)c1 89780576 MTHFMBLKMTUMPY-UHFFFAOYSA-N 449.532 3.850 0 40 IHAB Cc1csc(-c2cccc(CNC(=O)CC[C@H]3NC(=O)c4ccccc4N=C3O)c2)n1 95478362 ZIQRDMAWLRZNFU-LJQANCHMSA-N 434.521 3.915 0 40 IHAB O=C(NCc1ccco1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 115258405 NNZVCJMAXXAYSG-HNNXBMFYSA-N 437.883 3.855 0 40 IHAB COC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2cccc(Cl)c2C)cc1 138857477 RBQLSCDLNYEYIK-UHFFFAOYSA-N 446.887 3.726 0 40 IHAB CS(=O)(=O)N1C[C@H](C(=O)Nc2c(Cl)cccc2Cl)Oc2ccc(Cl)cc21 216256482 JIRSFFRGLYRWPA-CQSZACIVSA-N 435.716 3.813 0 40 IHAB CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(CN)NC(=O)OC(C)(C)C)cc1 218648275 PTUHUWYTHYZGFD-HFMPRLQTSA-N 444.597 3.719 0 40 IHAB C[C@H](C(=O)N1CCc2ccccc2C1)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 220429340 MPQKHXLJWDYBNP-CYBMUJFWSA-N 427.353 3.733 0 40 IHAB CCOc1cccc(CNC(=O)[C@@H](CC)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)c1 220740639 KWOVHNMQFWDEFJ-HXUWFJFHSA-N 438.977 3.908 0 40 IHAB CCOc1ccccc1NC(=O)[C@@H](CC)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 220755461 XJZMEIZOBCEWRM-MRXNPFEDSA-N 440.949 3.931 0 40 IHAB COC(=O)c1ccccc1NC(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 222663618 HUOQIZWPXIDYJM-UHFFFAOYSA-N 438.933 3.620 0 40 IHAB COc1ccc(CN(C(=O)COc2ccc(C)c(C)c2)[C@H](C)C(=O)NCC(C)C)cc1 224471919 WVKCEUODYSUHJB-HXUWFJFHSA-N 426.557 3.880 0 40 IHAB CCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1cc(C)cc(C)c1C 224584471 KJTNSHGINNZIQZ-QFIPXVFZSA-N 426.557 3.943 0 40 IHAB CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C)cc1OC 225192400 WQEFOWQRLXWHTF-VXKWHMMOSA-N 435.553 3.954 0 40 IHAB Cc1ccc2c(c1)[C@H](NS(=O)(=O)c1ccc3c(c1)CCN3C(=O)C1CC1)CC(C)(C)O2 225706141 IVBMHHFINCFPBA-HXUWFJFHSA-N 440.565 3.875 0 40 IHAB CC[C@H]1CCCCN1CCCNS(=O)(=O)c1ccc(SC)c(NC(=O)C(C)C)c1 225755185 PHCYKDNDBHQCIR-KRWDZBQOSA-N 441.663 3.936 0 40 IHAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1N1C(=O)CCC1=O 225776159 MVXFBEHBPSLEHS-HNNXBMFYSA-N 444.553 3.686 0 40 IHAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc(OC)c(Cl)c1 225847896 ORVKIXYQSSPCIC-KRWDZBQOSA-N 426.922 3.541 0 40 IHAB O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1CN(C(=O)c1ccccc1)c1ccc(Cl)cc1 250253079 ZFMMPPBIGVCAFH-YVZLVKDNSA-N 432.907 3.997 0 40 IHAB CC(=O)N1CCC(Cc2ccccc2F)(C(=O)N2CCC[C@H](c3cncc(C)n3)C2)CC1 257275541 NPVBVJYEAORZDR-NRFANRHFSA-N 438.547 3.502 0 40 IHAB NC(=O)C[C@H]1CN(C(=O)Cc2c(F)cccc2Cl)CC[C@@H]1Oc1cccc(Cl)c1 257315107 UZYCFSWDKDVIJJ-DJJJIMSYSA-N 439.314 3.847 0 40 IHAB CCOc1ccc(N([C@H](CC)C(=O)N[C@H](C)COc2ccc(C)cc2)S(C)(=O)=O)cc1 260588229 GYKQFXRNIWIAHI-XMSQKQJNSA-N 448.585 3.522 0 40 IHAB CCOC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccccc2CC)cc1 408644950 IPGVMTFTLZFDNN-UHFFFAOYSA-N 440.496 3.716 0 40 IHAB Cc1ccccc1N1C[C@@H](C(=O)Oc2ccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)cc2)CC1=O 408667973 QQOKVVKMPVYFKX-DZFGPLHGSA-N 446.503 3.633 0 40 IHAB CCc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCc2ccc(C)cc2)cc1 408710091 OIZUNEATVDGULD-UHFFFAOYSA-N 429.520 3.742 0 40 IHAB CCCCN1C(=O)S/C(=C\c2cn(CC(=O)NCCCOC)c3ccccc23)C1=O 409141384 VCGBPTIXECTMQN-UYRXBGFRSA-N 429.542 3.630 0 40 IHAB CCCc1cc(C(=O)N2CCC[C@]3(CCCCc4ccccc4OCCNC3=O)C2)no1 643560464 SRBNGRPZGDPPFU-RUZDIDTESA-N 439.556 3.771 0 40 IHAB CC(=O)N1CCC(CC(=O)Nc2ccc(F)c(Cl)c2)(N2Cc3ccccc3C2=O)CC1 1565524938 YNRVBHUHTYNMOE-UHFFFAOYSA-N 443.906 3.845 0 40 IHAB CCn1c(CNc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc(OC)cc1 649307 YMOZLUPIMHOABR-UHFFFAOYSA-N 427.530 3.658 0 40 IHAB COc1ccc2cc(CN(C[C@@H]3CCCO3)C(=S)NCc3ccccc3)c(=O)[nH]c2c1 879749 RPNDMRDCYAILOM-NRFANRHFSA-N 437.565 3.592 0 40 IHAB CCOc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)Nc3cccc(C)c3)cc2c1 884951 JIHDHTXLFYFEKJ-UHFFFAOYSA-N 438.597 3.996 0 40 IHAB CCc1cc(I)ccc1NC(=S)NC(=O)c1ccccc1OC 1264804 XTNJIWXJTKZSRY-UHFFFAOYSA-N 440.306 3.989 0 40 IHAB O=C1S[C@H]([C@H]2SC(=O)N(Cc3ccc(F)cc3)C2=O)C(=O)N1Cc1ccc(F)cc1 1479654 WDPATGURXYRTJM-HZPDHXFCSA-N 448.472 3.793 0 40 IHAB O=C(Nc1ncnc2sc3c(c12)CCCC3)c1ccc(S(=O)(=O)N2CCCC2)cc1 3187175 RJMZSZUYNFHKQQ-UHFFFAOYSA-N 442.566 3.607 0 40 IHAB Cc1ccc(N(CC(=O)c2ccc(Cl)cc2)S(=O)(=O)C23CCN(CC2)CC3)cc1 3189138 PIVJPRRZEIVIND-UHFFFAOYSA-N 432.973 3.906 0 40 IHAB O=C(CCS(=O)(=O)c1ccc(Cl)cc1)OCC(=O)c1ccccc1Br 3254980 INHPDCCQIDLTQH-UHFFFAOYSA-N 445.718 3.692 0 40 IHAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)CSc1cccc[n+]1[O-])CC2 3278833 UNZBBIHYMCMNSB-XMMPIXPASA-N 436.533 3.604 0 40 IHAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)CSc1cccc[n+]1[O-])CC2 3278835 UNZBBIHYMCMNSB-DEOSSOPVSA-N 436.533 3.604 0 40 IHAB CCCCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 3491205 OTFZJPYTAOASCJ-UHFFFAOYSA-N 436.961 3.666 0 40 IHAB CCCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCCc4ccccc43)nnc12 3543859 ONCTWHZQMWWGFR-UHFFFAOYSA-N 433.537 3.526 0 40 IHAB COc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1S(=O)(=O)N1CCCC1 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CCn1c(S[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccc(OC)cc1 9303727 LFMVSJJJQLUQHX-ZDUSSCGKSA-N 426.498 3.822 0 40 IHAB COc1ccccc1OCc1nnc(S[C@@H](C)C(=O)Nc2nc(C)c(C)s2)n1C 9329037 PDRPGSNZGVXHPJ-ZDUSSCGKSA-N 433.559 3.595 0 40 IHAB COc1cc(/C=C/C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cn2)ccc1OC(F)F 9442143 HRIUCYQRGSGUND-VUQUXZKVSA-N 426.803 3.929 0 40 IHAB O=C(OCc1nc2ccccc2s1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 9631171 AUDYKDGWUWBRSP-UHFFFAOYSA-N 428.491 3.725 0 40 IHAB CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(C(C)=O)cc3)c2C(=O)OC)C1 9639043 ASEVCFBUKIHRSO-UHFFFAOYSA-N 430.482 3.504 0 40 IHAB Cc1cccc(C)c1N1C(=O)N(CC(=O)N2CCCC[C@@H]2C)c2ccccc2S1(=O)=O 10273734 VCBGXGGMEPZQBA-SFHVURJKSA-N 441.553 3.840 0 40 IHAB O=C(NCc1ccc(OC(F)F)cc1)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12 11508162 PMUWXBXXQLEOIC-UHFFFAOYSA-N 449.479 3.699 0 40 IHAB COc1ccc(/C=C\C(=O)Nc2cc(C3CC3)nn2-c2nc(C(C)C)cc(=O)[nH]2)cc1OC 12126225 HJNBYFVYKAZCET-POHAHGRESA-N 449.511 3.626 0 40 IHAB CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1[C@@H](C)NC(=O)c1cccc(C)c1 12630327 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COc1ccc([C@H](NC(=O)Cn2c(CSC)nc3ccccc32)c2nccn2C)cc1 16476677 NSFYDNYKXUYFLX-QFIPXVFZSA-N 435.553 3.547 0 40 IHAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C(C)C)cc3)n2N)cc1OC 16756128 YEPANTLURWKIHX-UHFFFAOYSA-N 427.530 3.530 0 40 IHAB COc1ccc([C@H](CNC(=O)CCc2nc(-c3ccc(C)cc3)no2)N2CCCC2)cc1 17911895 AUMVAORDQWBZJW-QFIPXVFZSA-N 434.540 3.940 0 40 IHAB Cc1cc(-c2cnc(N3CCC(C)CC3)nc2C2CCN(C[C@H]3CCOC3)CC2)on1 19123203 DZPUZORKFLXMLA-LJQANCHMSA-N 425.577 3.892 0 40 IHAB COc1cc(C)ccc1OCC(=O)N1CCC[C@H]1c1nc(N(C)C)ncc1-c1ccncc1 19134266 OYTBIFDBFQSILA-FQEVSTJZSA-N 447.539 3.664 0 40 IHAB Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@@H]2CCCN2C(=O)Cc2cccc(F)c2)n1 19290215 NOXREDJIBPUTIP-NRFANRHFSA-N 434.519 3.523 0 40 IHAB O=C(CC1CCCCC1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(Cc1ccncc1)C2 19405366 RAORLTFUCFTDMS-HSZRJFAPSA-N 449.599 3.747 0 40 IHAB CC[C@@H](Oc1ccccc1OC)C(=O)N1CCC(c2cc(C(F)F)n3ncnc3n2)CC1 19499360 CIIKCCRTRVQCPG-QGZVFWFLSA-N 445.470 3.634 0 40 IHAB COc1ccccc1CNC(=O)c1cc([C@@H]2CCN(Cc3ccc4ncccc4c3)C2)n[nH]1 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C[C@H]1Cc2ccccc2N1C(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2Cl)C1=O 21705917 XLGQYLGVWCQNQW-LAJNKCICSA-N 432.307 3.738 0 40 IHAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CN1CCN(Cc3ccc(Cl)s3)CC1)C2=O 23257511 UXGDXHGLGMPBEO-QVKFZJNVSA-N 439.025 3.613 0 40 IHAB CC(C)(C)NS(=O)(=O)c1ccc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1 23710310 NTAWFZMQYAXSKG-UHFFFAOYSA-N 441.553 3.924 0 40 IHAB Cc1cc(C)n(CCCNC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)n1 24211373 KZBKCMGUEKBAOQ-UHFFFAOYSA-N 446.960 3.774 0 40 IHAB COc1ccc(Cl)cc1CN1CCN(C(=O)c2cc(Br)ccc2O)CC1 25202158 ZBJUEMWCSFHCMF-UHFFFAOYSA-N 439.737 3.775 0 40 IHAB COc1ccc(C(=O)C2CCN(C(=O)c3ccccc3OCc3noc(C)n3)CC2)cc1 26131545 DKJOCIRXMVIDFE-UHFFFAOYSA-N 435.480 3.701 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N[C@@H](CC(C)C)c1ccccc1 30854149 IENBAJBSWCFVSL-NRFANRHFSA-N 430.570 3.997 0 40 IHAB CCc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN2CCOCC2)cc1 32622076 JHBFIOMQPZAYNK-HSZRJFAPSA-N 432.520 3.623 0 40 IHAB CCOC(=O)c1c(NC(=O)CN2CCN(c3cccc(Cl)c3)CC2)sc2c1CCC2 35447158 SPZHHQOYGXATBQ-UHFFFAOYSA-N 447.988 3.828 0 40 IHAB O=C(c1csc(-c2cccs2)n1)N1CCN(Cc2nc(-c3ccccc3)no2)CC1 40063368 FCYLSTOWQONQOY-UHFFFAOYSA-N 437.550 3.880 0 40 IHAB CC(C)CCNC(=O)C1CCN(C(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)CC1 40151663 IEFOMBZKHYBJKN-UHFFFAOYSA-N 429.605 3.505 0 40 IHAB O=C(CN1CCN(c2ccc(O)cc2)CC1)NCc1ccc(-c2ccc(Cl)cc2)o1 45355588 YROOTEWJASFWDU-UHFFFAOYSA-N 425.916 3.744 0 40 IHAB COC(=O)C1=C(c2ccc(Cl)cc2)Nc2ncnn2[C@H]1c1cccc(OC)c1OC 59227940 HDQBUSOMNZLYQM-SFHVURJKSA-N 426.860 3.548 0 40 IHAB COc1cccc(-c2csc3ncc(C(=O)Nc4cccc(NC(C)=O)c4)c(=O)n23)c1 64787968 VSRNMCHOCNBZAP-UHFFFAOYSA-N 434.477 3.642 0 40 IHAB CCCn1cc(S(=O)(=O)N2CCC[C@H]2c2ccc(Nc3ccccn3)cn2)c(C)n1 72353213 LXGGUPYYLBFNBP-IBGZPJMESA-N 426.546 3.661 0 40 IHAB CC(C)c1nccn1CC(=O)N1CC[C@@H](c2cc(CCOc3ccc(F)c(F)c3)[nH]n2)C1 72371688 OZYWRZHZQHAMKV-MRXNPFEDSA-N 443.498 3.645 0 40 IHAB O=C(CCCN1CCCC1=O)NC1CCN(CC2(c3cccc(F)c3)CCCC2)CC1 72393444 DPFVQFCBWGTTBR-UHFFFAOYSA-N 429.580 3.621 0 40 IHAB CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H](C)c2cccc(Cl)c2)cc1F 89960393 JBXBUCDLDCFIQA-GFCCVEGCSA-N 434.942 3.670 0 40 IHAB COc1cc(C(=O)Nc2ccc3c(c2)C(=O)Nc2cccnc2S3)cc2c1OCCO2 96224150 APZJWUCIFAGGEU-UHFFFAOYSA-N 435.461 3.831 0 40 IHAB COc1ccc([C@H]2Cn3cnc(-c4nc(-c5ccc(OC)c(OC)c5)no4)c3CO2)cc1 97077621 PPTLFXCXCWSUQU-HXUWFJFHSA-N 434.452 3.897 0 40 IHAB C[C@H](Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 102553255 QKZNKWQSIGMSFR-ZYNAIFEFSA-N 443.613 3.997 0 40 IHAB CCOc1ccc(N(CCCC(=O)N[C@H](C)c2ccc(OC)cc2)S(C)(=O)=O)cc1 113962298 FYHJRXQGKSAEGV-QGZVFWFLSA-N 434.558 3.518 0 40 IHAB COCCC(=O)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(OC)c(C)c2C)C1 222016794 VZBYVNVCVOECGM-SQJMNOBHSA-N 425.573 3.813 0 40 IHAB COc1ccc(CN(C)C(=O)CCCN(c2cccc(C)c2C)S(C)(=O)=O)cc1OC 222767371 UCQPPFFTGFNKKS-UHFFFAOYSA-N 448.585 3.525 0 40 IHAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc2c(c1)OCCO2 223134630 DEYCRZTXCIGGJI-MSOLQXFVSA-N 442.531 3.862 0 40 IHAB CCOc1ccc(CNS(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)cc1OCC 223835758 LQDOVTBUNKRJCR-UHFFFAOYSA-N 438.571 3.643 0 40 IHAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2ccc(NC(C)=O)cc2)cc1OC 224180752 MOFZUUQAHMZHIF-ZHZULCJRSA-N 449.463 3.665 0 40 IHAB CCOC(=O)c1ccc(N(CC(=O)OC)S(=O)(=O)c2ccc(Cl)cc2)cc1Cl 224720996 VOBNAQYCBJMHHF-UHFFFAOYSA-N 446.308 3.538 0 40 IHAB CCOC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(OC)c(F)c1 225114674 HPLNABZTTBXULW-UHFFFAOYSA-N 436.288 3.900 0 40 IHAB COc1ccc(N(C)C(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(F)cc2)cc1 226008733 GDRGCUWVRYTXHH-UHFFFAOYSA-N 434.533 3.821 0 40 IHAB CCc1cc(Br)cc(C)c1NC(=O)CN(Cc1ccccc1)S(C)(=O)=O 226079822 YLAMQGSTRJEDHW-UHFFFAOYSA-N 439.375 3.720 0 40 IHAB NC(=O)CC1(COc2ccccc2)CCN(C(=O)Cc2ccccc2Br)CC1 257262581 LLZLDVIPDGCJKG-UHFFFAOYSA-N 445.357 3.555 0 40 IHAB COCCc1ncc(CN2CCO[C@@H](c3cc(Cc4ccccc4C)cc(C)n3)C2)cn1 257322774 WHIPBOALCUZSOH-RUZDIDTESA-N 432.568 3.842 0 40 IHAB CCn1c(=O)oc2cc(NC(=O)CN3C[C@H]4CC[C@H](Cc5cccc(OC)c5)[C@H]4C3)ccc21 257335507 YKLQIHFRUZTEHW-WOIUINJBSA-N 449.551 3.762 0 40 IHAB COc1cccc(-c2ccc3nc([C@@H]4CCCN(C(=O)c5ocnc5C)C4)nn3c2)c1OC 306124690 BWSFEGMLRFFWEX-QGZVFWFLSA-N 447.495 3.730 0 40 IHAB CC(C)n1nccc1[C@@H]1CN(Cc2ccccn2)C[C@]12CCCN(Cc1ccncc1)C2=O 306145101 ZYCAWDWRLRIXQE-JYFHCDHNSA-N 444.583 3.662 0 40 IHAB Fc1cc(I)cc(I)c1Br 307443131 BCARBAPVPNLCSE-UHFFFAOYSA-N 426.792 3.797 0 40 IHAB Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)cc1C 408664490 QPKHBTIOHROZFM-SFTDATJTSA-N 432.476 3.555 0 40 IHAB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(OC)c1OC 408932209 UVOMAWHUXFCQDN-YVLHZVERSA-N 446.456 3.527 0 40 IHAB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc(Cl)c1O 409245820 ZKYCZILHDXVHGR-VIZOYTHASA-N 436.848 3.868 0 40 IHAB CCc1ccc(OCc2nnc(SCC(=O)Nc3ccc(C(=O)O)cc3)n2CC)cc1 409328945 AVAZLCBMFNATEP-UHFFFAOYSA-N 440.525 3.868 0 40 IHAB O=C(NCCN1CCc2ccccc2C1)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 523292663 UGSVVSZVAFMTGI-OAQYLSRUSA-N 449.530 3.823 0 40 IHAB Cc1c(C(=O)O)cnn1-c1cccc(NC(=O)c2nn(-c3ccccc3F)c3c2CCC3)c1 557445623 POHUFJZQKJZEKG-UHFFFAOYSA-N 445.454 3.945 0 40 IHAB O=C(NC[C@@H]1CC[C@@H]2CN(C(=O)c3cccnc3)c3ccccc3CN12)c1cccc(F)c1 585110134 MYYAQBIWSDULEG-XZOQPEGZSA-N 444.510 3.644 0 40 IHAB O=C(Cc1c[nH]c2cnccc12)NC1CCN(Cc2cccc(Br)c2)CC1 1584960162 HNJDHTBBPWZKLN-UHFFFAOYSA-N 427.346 3.649 0 40 IHAB OCCCN1CCOC[C@H](Cc2ccnc(Nc3ncc(-c4ccc(F)cc4)s3)c2)C1 2037849945 SNHVJJMAGMARNT-GOSISDBHSA-N 442.560 3.961 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)c2ccc(F)cc2)cc1 656023 SAWWWZRIDQSMMO-UHFFFAOYSA-N 442.468 3.697 0 40 IHAB O=C(O)[C@@H]1CC=CC[C@H]1C(=O)N1CCN(c2nc(-c3ccccc3)c3ccccc3n2)CC1 1244917 LIGOIMAYYOHCSW-WOJBJXKFSA-N 442.519 3.612 0 40 IHAB COC(=O)c1ccc(OCc2nc(OCC(F)(F)F)cc(OCC(F)(F)F)n2)cc1 2525740 HRRLEWDNXZBWQC-UHFFFAOYSA-N 440.296 3.724 0 40 IHAB O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)NCc1ccccc1F 3170666 PKGPUVYLUKHBNL-UHFFFAOYSA-N 432.904 3.991 0 40 IHAB C[C@H](OC(=O)CNS(=O)(=O)/C=C/c1ccccc1)C(=O)c1ccc(C(C)(C)C)cc1 3438388 KCOQPQOQOJZKSF-ZWKQNVPVSA-N 429.538 3.689 0 40 IHAB COCCNC(=S)N(Cc1ccc(OC)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O 6300440 PHFXQRQMIMAHKV-UHFFFAOYSA-N 439.581 3.677 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@H]2CCCC[C@@H]2C)Cc2ccco2)cc1 8696107 UBIHHMDQMJEJLR-UWJYYQICSA-N 434.558 3.564 0 40 IHAB CCN1C(=O)C(C)(C)COc2cc(NS(=O)(=O)c3cc(Cl)ccc3OC)ccc21 9166527 JYDIEKOBNAPRLJ-UHFFFAOYSA-N 438.933 3.921 0 40 IHAB CC(=O)c1cccc(NC(=O)[C@H](C)N(C)CC(=O)Nc2ccc(Br)cc2C)c1 9172583 VFCIJRXVSYNZJV-AWEZNQCLSA-N 446.345 3.858 0 40 IHAB CCCn1c(SCC(=O)c2ccc3[nH]c(=O)[nH]c3c2)nc2cc(Cl)ccc2c1=O 9398885 TYGSGASXQCOQKK-UHFFFAOYSA-N 428.901 3.605 0 40 IHAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CCc4sccc4[C@@H]3c3cccs3)ccc21 9498337 FGMMXEKQRHUQOI-LJQANCHMSA-N 437.546 3.621 0 40 IHAB CC(C)n1ncc2c(C(=O)N3Cc4ccccc4C[C@@H]3C(N)=O)cc(-c3ccccc3)nc21 9766456 QVDFWJAVPNPYAI-HSZRJFAPSA-N 439.519 3.732 0 40 IHAB O=C([C@H]1Cc2ccccc2CN1Cc1ccc(O)cc1)N1CCN(Cc2ccccc2)CC1 9805374 RRZPZTKOVQDEJR-HHHXNRCGSA-N 441.575 3.664 0 40 IHAB C[C@H]1CCc2sc(-c3nnc(SCC(=O)Nc4sccc4C(N)=O)o3)cc2C1 10029182 LILXTGCJKYEBFE-VIFPVBQESA-N 434.568 3.814 0 40 IHAB COc1ccc(CCNC(=O)c2c(C)nc(Nc3nc4ccccc4o3)nc2C)cc1OC 10157622 ABLLYDRJCKCHFW-UHFFFAOYSA-N 447.495 3.968 0 40 IHAB COc1ccc(-c2cc3nc([C@@H](C)NC(=O)[C@@H](C)Oc4ccc(F)cc4)nn3cn2)cc1 12085113 YMXWZKNRVBXXCC-HUUCEWRRSA-N 435.459 3.584 0 40 IHAB Cc1cc(C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)[C@H](C)Cn3nc(C)cc3C)cc2n1 12230690 QFOFGEKEJSPALM-PXAZEXFGSA-N 434.466 3.870 0 40 IHAB CCc1ccccc1N1C[C@H](C(=O)Nc2ccc(N3CCN(CC)CC3)cc2C)CC1=O 12537228 ADDYWOBNHSHWRV-OAQYLSRUSA-N 434.584 3.691 0 40 IHAB Cc1ccc(-c2ccsc2C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 12738760 UZFZXDBVWKQQTJ-UHFFFAOYSA-N 426.563 3.870 0 40 IHAB CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)[C@@H]1CCCN1C(=O)c1cccs1 12776809 IRCFYFKEFVJFGL-KRWDZBQOSA-N 433.961 3.802 0 40 IHAB CC(C)=C[C@@H]1[C@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)C1(C)C 12789309 KVFYAAIJOIIKDG-SJLPKXTDSA-N 444.519 3.777 0 40 IHAB CCOC(=O)c1ccc(S(=O)(=O)N(CC)Cc2ccc(Br)s2)cc1 12805489 FCECLGQOQXDGNE-UHFFFAOYSA-N 432.361 3.898 0 40 IHAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)/C=C/c1cccc(Br)c1 12873439 LMHYSPOCQCPRAM-RMKNXTFCSA-N 445.313 3.721 0 40 IHAB CC1CCN(c2nnc(SCC(=O)Nc3ccc(F)cc3)n2C[C@@H]2CCCO2)CC1 12918242 PURVHACTZUCMDX-SFHVURJKSA-N 433.553 3.563 0 40 IHAB COC(=O)C1=C(C)N(c2ccc3c(c2)OCO3)C(=O)N[C@H]1c1ccc(OC(F)F)cc1 13001906 RGSXUHJEJMJRNO-SFHVURJKSA-N 432.379 3.735 0 40 IHAB CC(C)Cn1c(SCc2nnnn2-c2ccccc2)nc2ccc(Cl)cc2c1=O 13002888 CFCATRFFZYFWGM-UHFFFAOYSA-N 426.933 3.974 0 40 IHAB COc1ccccc1Oc1c(C)oc2cc(OCC(=O)NC[C@H]3CCCO3)ccc2c1=O 13551694 NJANLFZRLAKFBR-QGZVFWFLSA-N 439.464 3.576 0 40 IHAB COCc1nn2c3c(nnc2c1-c1ccc(OC)cc1)C(=O)C[C@@H](c1ccc(OC)cc1)C3 13639424 RTZVZTLJTGCSPJ-KRWDZBQOSA-N 444.491 3.868 0 40 IHAB O=C(NCCc1ccccc1)NCc1cccc(CNC(=O)NCCc2ccccc2)c1 13989104 FSGLOGDNQFZXPU-UHFFFAOYSA-N 430.552 3.770 0 40 IHAB C[C@@]1(c2ccco2)NC(=O)N(CC(=O)Nc2ccccc2SCc2ccccc2)C1=O 14067462 ZQBDEQGBJNULSL-QHCPKHFHSA-N 435.505 3.978 0 40 IHAB C[C@H]1Oc2ccc(NC(=O)[C@@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)cc2NC1=O 14241495 FRJNWEOTHRYULY-UKRRQHHQSA-N 427.888 3.550 0 40 IHAB N#CCCNC(=O)CSC1=NN/C(=C2/C=Nc3ccccc32)N1c1ccc(Cl)cc1 15229593 NYVVJAYTXMTGSG-LVZFUZTISA-N 436.928 3.868 0 40 IHAB Cc1ccc([C@@H](NC(=O)CN(C)Cc2nc3ccccc3c(=O)[nH]2)c2cccs2)cc1 15447888 QELFSOSJMFGCGH-HSZRJFAPSA-N 432.549 3.631 0 40 IHAB COc1cc2c(cc1OC)[C@H](c1c(O)[nH]c(=S)n(-c3cccc(Cl)c3)c1=O)NCC2 17195725 IYXMBFLWVXXAMT-GOSISDBHSA-N 445.928 3.506 0 40 IHAB Cc1ccc(-c2nnc([C@H]3CCCN3S(=O)(=O)c3cccc(C(F)(F)F)c3)o2)cn1 19215134 WLKCWVZPPUKLNG-MRXNPFEDSA-N 438.431 3.985 0 40 IHAB Cc1nccn1C[C@@H](C)C(=O)N1CCN(C)C(=O)[C@@H](Cc2ccc(-c3ccccc3)cc2)C1 19287706 XLGBTBYWBUUOFO-NLFFAJNJSA-N 444.579 3.654 0 40 IHAB CC(C)N1CCc2c(O)nc([C@@H]3CCCN3C(=O)C3(c4ccc(Cl)cc4)CC3)nc2C1 19448381 UFOCLJZNDIBJRY-FQEVSTJZSA-N 440.975 3.997 0 40 IHAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN3S(=O)(=O)c3cccnc3)cc2N1 19451306 GHHUMFPSNJOJRL-USXIJHARSA-N 443.495 3.748 0 40 IHAB CC(C)c1cc(C(=O)N2CC[C@](Cc3cccc(-c4ccncc4)c3)(C(=O)N(C)C)C2)[nH]n1 19451733 SSOPJSODGWWGEG-AREMUKBSSA-N 445.567 3.758 0 40 IHAB COc1ccc(CN2CC[C@@H](c3c(C(N)=O)sc4ncccc34)C2)cc1Cn1cccn1 19702230 QKEKEPHNPSVQIM-QGZVFWFLSA-N 447.564 3.638 0 40 IHAB CCOC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCN(C(C)C)C3 19708305 ZETZPEAMVOKIBX-UHFFFAOYSA-N 443.594 3.869 0 40 IHAB Cc1nc([C@@H]2CCCN2C(=O)CN2CCC(C)CC2)ncc1C(=O)Nc1ccc(F)cc1 19755062 XGGSULWFQGKYAE-NRFANRHFSA-N 439.535 3.572 0 40 IHAB CCOC(=O)[C@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@H]1c1ccncc1 19820402 FXRUELOIRHGMOE-YADHBBJMSA-N 426.476 3.747 0 40 IHAB CN(c1ccc(OCC(=O)Nc2cc(F)ccc2F)cc1)S(=O)(=O)c1ccccc1 19937889 UPYXVGYCFIFHTC-UHFFFAOYSA-N 432.448 3.807 0 40 IHAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)OC(=O)CCCc1c[nH]c2ccccc12 21330885 SBKNHNLFUNWVQB-SFHVURJKSA-N 435.524 3.794 0 40 IHAB Oc1c([C@@H](c2cccc(F)c2)N2CCN(c3ccc(F)cc3)CC2)sc2ncnn12 22609604 JCXYSPQGUMALGI-GOSISDBHSA-N 427.480 3.686 0 40 IHAB COc1ccc(OC)c(NC(=O)COc2ccc3ccccc3c2CN2CCOCC2)c1 23409070 UXVJNWDTXOKYLP-UHFFFAOYSA-N 436.508 3.707 0 40 IHAB Cn1ccnc1[C@H](NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)c1ccc(F)cc1 23777595 MESIKEMYPMDWEF-GHTZIAJQSA-N 435.503 3.709 0 40 IHAB Cn1ccnc1C(=O)c1ccc(NC(=O)COc2ccc(Br)cc2F)cc1 24596821 SQZRNQUNGNHKQT-UHFFFAOYSA-N 432.249 3.570 0 40 IHAB O=C(c1ccc(S(=O)(=O)NCCc2cccs2)cc1)N1CCC[C@@H]1c1cccnc1 24778682 GIWXAGFFKKSBRD-OAQYLSRUSA-N 441.578 3.641 0 40 IHAB CC1CCN(c2nnc(SCC(=O)N[C@H](C)c3ccc4c(c3)OCO4)n2C2CC2)CC1 32876405 TWBZVZIZYMYQTK-OAHLLOKOSA-N 443.573 3.548 0 40 IHAB COCCn1c(SCC(=O)Nc2ccccc2)nc2c(-c3ccccc3)cn(C)c2c1=O 33273925 JGVQBNLJYJGYKX-UHFFFAOYSA-N 448.548 3.779 0 40 IHAB CCOc1cc(C)ccc1OCc1nnc(SCC(=O)N[C@@H]2CCCC[C@@H]2C)n1C 33759128 LZTBYSGXFJWCHL-DLBZAZTESA-N 432.590 3.888 0 40 IHAB CCc1cccc2c(/C=C3/C(=O)N(C)C(=S)N3C)cn(CC(=O)N3CCCC[C@H]3C)c12 39556545 YOXQNTXXOFNMTA-FPXKJXHESA-N 438.597 3.634 0 40 IHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)C1CCN(Cc2ccccc2C)CC1 39766577 HNDUEUPMHZNUNM-UHFFFAOYSA-N 426.513 3.650 0 40 IHAB C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N(C)Cc1ccccc1C(F)(F)F 40051448 KQCGZODFHRHEGP-CYBMUJFWSA-N 437.418 3.645 0 40 IHAB O=C1C[C@@H](C(=O)Nc2cccc(Cl)c2)c2c(nc(Nc3cccc(Cl)c3)[nH]c2=O)N1 40399382 YGDUPIMKVCOJPP-CQSZACIVSA-N 444.278 3.885 0 40 IHAB COc1ccc(OC)c(NC(=O)c2cc(OC)c(OC)c(OC)c2Br)c1 40852202 IMYAZOWCYAIFNV-UHFFFAOYSA-N 426.263 3.744 0 40 IHAB Cc1ccc(-c2ccc(=O)n(CCC(=O)N3CCN(c4ccccc4Cl)CC3)n2)cc1 41252836 QUJVIDLSWCPZFP-UHFFFAOYSA-N 436.943 3.611 0 40 IHAB Cc1nnc(NC(=O)CSc2nc3ccccc3c(=O)n2[C@@H]2CCC[C@H](C)[C@@H]2C)o1 57996505 APHNVLSREYDQGY-GDZNZVCISA-N 427.530 3.816 0 40 IHAB CCOC(=O)c1ccc(N2CCN(C(=O)[C@@H](Sc3ccccc3)C(C)C)CC2)nc1 58296557 REVCFADTKSOEFY-NRFANRHFSA-N 427.570 3.724 0 40 IHAB COc1cc2oc(=O)cc(C)c2cc1CCC(=O)N1CCc2cc(OC)c(OC)cc2C1 62001430 WSLYHBLZHKAIFW-UHFFFAOYSA-N 437.492 3.645 0 40 IHAB biogenic O=C(Cn1c(=O)cc(-c2nc(-c3ccncc3)no2)c2ccccc21)Nc1ccc(F)cc1 67318123 JKMPZQITPHTLRK-UHFFFAOYSA-N 441.422 3.891 0 40 IHAB COc1ccc2c(C)c(CC(=O)NCCn3ccc4c(C)cccc43)c(=O)oc2c1OC 72325022 LKAVFNNHCUBXCX-UHFFFAOYSA-N 434.492 3.741 0 40 IHAB biogenic Cc1oc2nc(CN3CCN(C(=O)c4ccc(Cl)cc4Cl)CC3)nc(N)c2c1C 79112217 MNORCJMVULOMEA-UHFFFAOYSA-N 434.327 3.687 0 40 IHAB Cc1nccc(C(=O)Nc2ccc(S(=O)(=O)c3ccc(Br)cc3)cc2)n1 84290726 JJIOUBGESVEINA-UHFFFAOYSA-N 432.299 3.633 0 40 IHAB COc1cccc(OCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)c1 89470272 FXYNCZSLRSTSGL-UHFFFAOYSA-N 438.933 3.541 0 40 IHAB O=C(/C=C/c1cccs1)N1CCN(c2ccc(-c3noc(C(F)(F)F)n3)cn2)CC1 90558875 OZWMHVIHKURXRD-GQCTYLIASA-N 435.431 3.574 0 40 IHAB CC(C)S(=O)(=O)c1ccc(CC(=O)N2CCC(CSc3ccccn3)CC2)cc1 90608058 SYQVITRSCYBBMJ-UHFFFAOYSA-N 432.611 3.837 0 40 IHAB O=C(CCN1C(=O)c2ccccc2C1=O)Nc1nnc(Cc2cccc3ccccc23)s1 95116305 ILXQAXHHGGKMNW-UHFFFAOYSA-N 442.500 3.907 0 40 IHAB O=C(Cc1csc(Cc2ccc(F)cc2)n1)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 95463864 FZXYFRQMNSYJMU-HXUWFJFHSA-N 437.496 3.709 0 40 IHAB CC(=O)c1ccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)cc1 95929346 UAGVTSOSWGDITM-HSZRJFAPSA-N 426.476 3.851 0 40 IHAB CC(C)C1CCC(C(=O)N[C@H](Cc2ccccc2)C(=O)NCc2nnc3ccccn23)CC1 96117965 XWHFAMPRUKSDRK-LZBANZJXSA-N 447.583 3.535 0 40 IHAB Cc1nc(-c2nc(C(=O)NCc3ccsc3)c3ccccn23)cn1Cc1ccncc1 96266946 YGDDOZXWPDITSP-UHFFFAOYSA-N 428.521 3.941 0 40 IHAB COC(=O)c1cccc(NC(=O)CCCN(c2cccc(Cl)c2C)S(C)(=O)=O)c1 113965098 YKHMTZJKCCGLOG-UHFFFAOYSA-N 438.933 3.620 0 40 IHAB CC1(C)C[C@H]2C[C@](C)(CN2[C@@H](C(=O)O)c2c[nH]c3ccc(NC(=O)CCC(=O)O)cc23)C1 217933132 STLBHMKQPRVJEE-HXKVFGNASA-N 441.528 3.998 0 40 IHAB Cc1ccc(SCCNC(=O)COc2ccc(I)cc2)cc1 219831045 MYQFIWWLZJHTAD-UHFFFAOYSA-N 427.307 3.887 0 40 IHAB Cc1ccccc1OC[C@H](C)NC(=O)c1cccc(S(=O)(=O)N2CCC(C)CC2)c1 220003124 LIPKJUZVZPFZKH-IBGZPJMESA-N 430.570 3.613 0 40 IHAB CCCOc1ccccc1CCCNC(=O)[C@@H](C)N(c1ccc(CC)cc1)S(C)(=O)=O 220289721 OOQOMWHNZXQATB-LJQANCHMSA-N 446.613 3.941 0 40 IHAB CSc1ccc(S(=O)(=O)NCc2nc(-c3cccc(Br)c3)no2)cc1 223768793 VJHLFFZLKAXDEQ-UHFFFAOYSA-N 440.344 3.700 0 40 IHAB O=C(NCCOc1ccccc1Cl)c1cccc(NS(=O)(=O)c2ccccc2)c1 224026130 KFVKJZCYIPBIJG-UHFFFAOYSA-N 430.913 3.950 0 40 IHAB CCOc1ccc([C@H](C)NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1OCC 224384951 KBXNHCQNSZLXOP-KRWDZBQOSA-N 446.569 3.905 0 40 IHAB Cc1ccc(NC(=S)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 224424960 DKFDBHAVUGVDCW-UHFFFAOYSA-N 433.599 3.535 0 40 IHAB CCOc1ccc(C(=O)NCC(C)C)cc1CN(C)S(=O)(=O)c1ccc(Cl)cc1 224830552 KGVPGYLMLRMAKA-UHFFFAOYSA-N 438.977 3.945 0 40 IHAB COc1cccc(N(CCCC(=O)Nc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)c1 224974409 QBENBAAQXXSCRN-UHFFFAOYSA-N 445.585 3.870 0 40 IHAB Cc1ccc(-c2nnc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4cccs4)C3)s2)cc1 225487591 TZISXEKHSNAQMT-OAHLLOKOSA-N 448.595 3.614 0 40 IHAB COc1cccc(-c2noc(CNC(=S)Nc3ccc(C)c(N4CCCC4=O)c3)n2)c1 225823019 PSFLAVMUJXDWJU-UHFFFAOYSA-N 437.525 3.667 0 40 IHAB Cc1nn(C)cc1S(=O)(=O)N1CCCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1 257292281 QKUBAVRFIRRCGK-GOSISDBHSA-N 434.949 3.877 0 40 IHAB CCc1nnc(Nc2cc(C)nc([C@@H]3CN(C(=O)c4scnc4C)CCO3)c2)s1 257321662 WCQGAJSGMLPCKU-HNNXBMFYSA-N 430.559 3.526 0 40 IHAB CN(C)c1ncc(-c2ccccn2)c([C@H]2CC[C@H](CNC(=O)Cc3ccccn3)CC2)n1 257342438 ZOPKRCPVPQZAEQ-WGSAOQKQSA-N 430.556 3.632 0 40 IHAB CNc1nc(C)c(C(=O)N2CCO[C@H](c3cccc(Cc4ccccc4F)n3)C2)s1 257343337 ZSMMTUHAVDHTTJ-IBGZPJMESA-N 426.517 3.832 0 40 IHAB O=C(O)c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)cc1 260927039 XVXOXQSUVIXLPC-STZQEDGTSA-N 448.548 3.722 0 40 IHAB COc1ccc(NC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H]([C@@H]6C[C@H]56)[C@H]4C3=O)cc2)c(OC)c1 408671858 LSGKDENPCUJSMB-BVPHUKPHSA-N 444.487 3.514 0 40 IHAB COc1cc(C(=O)N2CCC(C(=O)Nc3cc(C)ccc3C)CC2)cc(OC)c1OC 409021832 BAXVSYKBUNHTPE-UHFFFAOYSA-N 426.513 3.820 0 40 IHAB C[C@H](NC(=O)CN(C)c1nc2ccccc2s1)c1cc(F)ccc1N1CCN(C)CC1 524157499 DKTICTUQRYRCFE-INIZCTEOSA-N 441.576 3.501 0 40 IHAB CC1(N(Cc2ccc3c(c2)OCO3)C(=O)Cn2cc(C(N)=O)c3ccccc32)CCCC1 530471191 IZKFJLQVIUPPKU-UHFFFAOYSA-N 433.508 3.830 0 40 IHAB Cc1cc(-n2nc3ccc(N)c(Br)c3n2)cc(C)c1I 575414807 NVSIHRCJESQDIW-UHFFFAOYSA-N 443.086 3.987 0 40 IHAB COCCn1ccc2c(OCC(=O)N[C@H](CC(C)C)c3nnc4ccccn34)cccc21 575443970 FIHDYCGUBQJXQI-LJQANCHMSA-N 435.528 3.613 0 40 IHAB Cc1ccc(OCC2(O)CCN(Cc3ccc(OCCn4ccnc4C)cc3)CC2)cc1 585271658 BHPWTPJUGCCOJH-UHFFFAOYSA-N 435.568 3.985 0 40 IHAB COCCOc1cccc(CNC(=O)Cn2nc(-c3ccc(Cl)cc3)nc2Cl)c1 1614847778 ANQCWKAONQOSEJ-UHFFFAOYSA-N 435.311 3.594 0 40 IHAB O=C(C[C@]1(O)C(=O)Nc2cc(Br)ccc21)c1ccc(Br)cc1 642095 FHTNNIQJIDYYEK-MRXNPFEDSA-N 425.076 3.624 0 40 IHAB COC(=O)c1cc(NC(=O)CSc2ncnc3sc(C)c(C)c23)cc(C(=O)OC)c1 1895527 DPORSZUUWMTNFI-UHFFFAOYSA-N 445.522 3.612 0 40 IHAB COCCOC(=O)c1c(NC(=O)c2cc(OC)c(OC)c(OC)c2)sc2c1CCCC2 2086522 JEIIJDJYKMCSGQ-UHFFFAOYSA-N 449.525 3.708 0 40 IHAB NC(=O)c1c(NC(=O)CSc2nnc(Nc3ccccc3F)s2)sc2c1CCC2 2618291 INWLVMXEWJONOY-UHFFFAOYSA-N 449.558 3.801 0 40 IHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCCc2ccc(OC)cc2)cc1 3370365 MZNGVPDAWRHWDP-UHFFFAOYSA-N 438.549 3.883 0 40 IHAB Cc1ccc(-c2cc(C(=O)OCC(=O)NC(=O)c3cccn3C)c3ccccc3n2)c(C)c1 3379188 KZQDSISXROWTAW-UHFFFAOYSA-N 441.487 3.971 0 40 IHAB Cc1cc(C)n(-c2ccc(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)cc2)n1 3388785 RBPZTICQRQJPST-UHFFFAOYSA-N 426.523 3.755 0 40 IHAB O=C(CSc1nc(-c2ccc(F)cc2)cs1)N1CCN(C(=O)c2ccco2)CC1 3473017 UEFGKXVYGPGTCN-UHFFFAOYSA-N 431.514 3.619 0 40 IHAB COc1ccc(C(=O)N[C@@H](C(=O)NCC2(N3CCCCC3)CCCCC2)C(C)C)cc1 6942273 TVKAGLBOJOYIEV-JOCHJYFZSA-N 429.605 3.755 0 40 IHAB COc1ccc(OC)c(S(=O)(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)c1 8397661 FHDNFKXXMYCVFA-UHFFFAOYSA-N 431.341 3.522 0 40 IHAB C[C@H](OC(=O)c1ccc(CN2CCCC2=O)cc1)C(=O)c1ccc(Br)cc1 9245639 GPGKHGWOQMUYJD-AWEZNQCLSA-N 430.298 4.000 0 40 IHAB CCN1CCC2(CC1)Oc1c(OC)cccc1[C@H]1CC(c3ccc4c(c3)OCCO4)=NN12 9461554 QUWOBYQWEHDVJA-HXUWFJFHSA-N 435.524 3.822 0 40 IHAB CCn1c(CNc2ccc(Br)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 9464162 LTIZQOPCOZZWGH-UHFFFAOYSA-N 437.363 3.681 0 40 IHAB Cc1ccccc1N1C[C@@H](C)Cn2c1nc1c2c(=O)n(C/C=C/c2ccccc2)c(=O)n1C 9519318 BCMPVTURKUKWSG-FHLIRTJZSA-N 441.535 3.706 0 40 IHAB CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)c1C 9631187 MSXUWDOSZOQQCR-UHFFFAOYSA-N 429.454 3.562 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(OC(C)C)c3)C2)cc1 10008518 KFUNOZBWVQGHSY-KRWDZBQOSA-N 432.542 3.522 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)Sc3ccc(Cl)cc3)CC2)cc1 10287567 DLGSAMIWSNSLTE-MRXNPFEDSA-N 439.002 3.662 0 40 IHAB O=C(Nc1ccc(F)cc1)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 11593123 SGHXBKXXXQTZND-NRFANRHFSA-N 428.460 3.719 0 40 IHAB CC(=O)OCc1ccc(CN2CCC(c3cc(N)n4nc(C(C)(C)C)cc4n3)CC2)o1 12154652 NWGFMVSWWDZMMH-UHFFFAOYSA-N 425.533 3.645 0 40 IHAB COc1cc(OC)c(OC)cc1CNC(=O)CSc1nccn1-c1ccc(Cl)cc1 12627518 RLQUOKLICBUBMH-UHFFFAOYSA-N 447.944 3.960 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CN[C@@H](C)c2cc(C)ccc2C)c1 12999211 FBDFSAZHSPTEKY-SFHVURJKSA-N 447.601 3.632 0 40 IHAB COc1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2OC)cc1Cc1ccccc1 13239878 UHIROIXHTXKIGH-UHFFFAOYSA-N 427.478 3.794 0 40 IHAB Cc1ccc2[nH]c(=O)c(CN(CCCO)[C@@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 13500544 YPVNAAHAVQEILO-JOCHJYFZSA-N 438.576 3.520 0 40 IHAB Fc1ccc(Cn2nnnc2[C@@H](c2ccccc2F)N2CCN(c3ccccc3)CC2)cc1 13504857 ZOQGHEXXBAEYRF-XMMPIXPASA-N 446.505 3.911 0 40 IHAB COc1ccccc1[C@H](c1nnnn1Cc1cccs1)N1CCN(c2ccccc2)CC1 13505331 NKRYAADRWFPZMS-HSZRJFAPSA-N 446.580 3.703 0 40 IHAB CCOc1ccccc1NC(=O)[C@@H](CCSC)NC(=O)N1CC(O)=Nc2ccccc21 13570725 WFCVNUXWKVLSNA-QGZVFWFLSA-N 442.541 3.963 0 40 IHAB COc1ccc(-c2ccc(N3CCN(C(=O)c4ccccc4Cl)CC3)nn2)cc1OC 13659446 CBQHJUVKAGWLMF-UHFFFAOYSA-N 438.915 3.777 0 40 IHAB C[C@H](OC(=O)CNC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@H]1CCCc2ccccc21 15223454 OYOFDPDPDUNBEF-DJJJIMSYSA-N 449.334 3.849 0 40 IHAB CCS(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cc1 15880250 XXPJCGAPRGGMEP-UHFFFAOYSA-N 441.578 3.747 0 40 IHAB O=C(CCCn1c(=O)oc2ccccc21)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 15961760 WCTWKSIRSHRXKA-UHFFFAOYSA-N 449.429 3.869 0 40 IHAB O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc(S(=O)(=O)N2CCCC2)cc1 17156694 XWFVNZYZPSPYQJ-UHFFFAOYSA-N 431.514 3.986 0 40 IHAB CCOc1ccc(N2CCn3c(SCC(=O)Nc4cccc(OC)c4)nnc32)cc1 17307746 BAZMHQJAWGQLPD-UHFFFAOYSA-N 425.514 3.568 0 40 IHAB CC(C)c1nccn1CC(=O)N1CCO[C@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 19454380 VYCZKSHMUPRUHH-INIZCTEOSA-N 449.433 3.675 0 40 IHAB CN(C)C(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)[C@@H]2CCCCO2)C1 19579812 OLTPGVCYQJFRKS-XUZZJYLKSA-N 426.582 3.834 0 40 IHAB Cc1ccc(C)c([C@H]2CCCN2C(=O)c2ccc(C3CCN(S(C)(=O)=O)CC3)nc2)c1 19708146 MQCGWPPYDHKOGK-HSZRJFAPSA-N 441.597 3.815 0 40 IHAB CC(=O)N[C@H]1C[C@@H](CCNC(=O)CCCc2c[nH]c3ccccc23)O[C@@H](c2ccccn2)C1 19712420 GRYAHTBCUBOWEP-BPYKYCOYSA-N 448.567 3.817 0 40 IHAB O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)NCCSc1ccccc1 20234270 SFRCKMSKUBKHRW-UHFFFAOYSA-N 444.553 3.930 0 40 IHAB CC(C)OCCCNC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccc(F)cc1 20449708 QCHTVCYNKYXHPN-INIZCTEOSA-N 434.533 3.511 0 40 IHAB COc1ccc([C@H]2N=C3NCN(CCC(C)C)CN3c3nc4ccccc4n32)cc1OC 20638586 BJJOZMKVHZCKKV-QFIPXVFZSA-N 434.544 3.643 0 40 IHAB O=C(Nc1ccccc1Br)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 20898327 OIJCHESZYOBRHV-UHFFFAOYSA-N 437.359 3.630 0 40 IHAB Cc1ccc(-c2cc(C(=O)N(Cc3sccc3C)[C@@H]3CCS(=O)(=O)C3)no2)cc1F 21787873 CBCLGVAXBYWUAE-MRXNPFEDSA-N 448.541 3.989 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)c2cccc(C(F)(F)F)c2)cc1 22227289 FPBLMHXKYSGMAH-UHFFFAOYSA-N 428.476 3.708 0 40 IHAB Oc1c([C@H](c2ccc(F)cc2)N2CCN(c3ccc(F)cc3)CC2)sc2ncnn12 22609740 UMMZRJZBWKPTTE-SFHVURJKSA-N 427.480 3.686 0 40 IHAB COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N1CCN(CCOc2ccccc2)CC1 22914630 QYQYSCAWEAGDNM-GOSISDBHSA-N 431.964 3.681 0 40 IHAB O=c1nc(CN2CCN(C[C@H]3CCCO3)CC2)[nH]c2cc(-c3ccc(Cl)cc3)sc12 22917098 KATTXRJSMGQPHN-QGZVFWFLSA-N 444.988 3.602 0 40 IHAB CC(C)C(=O)Nc1cccc(CNC(=O)c2occc2CS(=O)(=O)c2ccccc2)c1 22973398 CCSFDWRBDYQCRK-UHFFFAOYSA-N 440.521 3.778 0 40 IHAB CCOc1cc(CN2CCN(c3ccccn3)CC2)ccc1OCC(=O)Nc1ccccc1 23881124 OIXDDAZWVINXRX-UHFFFAOYSA-N 446.551 3.820 0 40 IHAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)Nc3ccc(OC(C)C)cc3)CC2)cc1 24609025 NVMBUTQEIAXBGY-UHFFFAOYSA-N 430.570 3.963 0 40 IHAB Cc1ccc(-n2c(S[C@H](C)c3nc(N)nc(N(C)C)n3)nc3ccccc3c2=O)cc1C 24962666 WHYIATHYLOWJKK-OAHLLOKOSA-N 447.568 3.689 0 40 IHAB O=C(NOCc1ccccc1)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 25282762 YKGXFHQQXGAMKV-UHFFFAOYSA-N 442.924 3.953 0 40 IHAB Cc1ccc(C)c(OCc2nnc(S[C@H](C(=O)N3CCOCC3)c3ccccc3)o2)c1 26491913 MTPRDBAOQRMSAQ-NRFANRHFSA-N 439.537 3.958 0 40 IHAB CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 32869631 NPXXTBGXOPCNPR-UHFFFAOYSA-N 428.860 3.600 0 40 IHAB COc1ccc([C@@H](CNC(=O)c2ncc(Cl)c(Cl)c2Cl)N2CCOCC2)cc1 32969226 YGNHLPHKRRWECC-OAHLLOKOSA-N 444.746 3.854 0 40 IHAB O=C(CCN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O)Nc1ccc(O)c(C(=O)O)c1 33588832 XQGBHWDWVJQTFZ-DFBITEFZSA-N 438.461 3.712 0 40 IHAB COc1ccccc1[C@@H](c1nnnn1Cc1ccccc1)N1CCN(C2CCCCC2)CC1 35291462 ZFBHHJZTCVXAGC-VWLOTQADSA-N 446.599 3.770 0 40 IHAB COc1ccc([C@H]2[C@@H](C(=O)N=c3[nH]c4ccccc4[nH]3)c3ccccc3C(=O)N2C)cc1 36366582 XENPMCDZVARYLL-VXKWHMMOSA-N 426.476 3.543 0 40 IHAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3cccc(C)c3C)cc2)n1 38755913 JXAGUJPRSPZMAV-KRWDZBQOSA-N 440.525 3.609 0 40 IHAB CCOc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1cccc(OC)c1OC 40485039 NLCVWRNHKMXUHX-FQEVSTJZSA-N 435.484 3.622 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCCN3CCCC3)cc2Cl)cc1 44845488 RYHBRGCIUSMZGC-UHFFFAOYSA-N 435.977 3.665 0 40 IHAB Cc1noc(C)c1CN1CCN(C(=O)C2=NN(c3ccccc3)[C@H](c3ccccc3)C2)CC1 46815728 IJZZARYQPYPMKB-VWLOTQADSA-N 443.551 3.943 0 40 IHAB CCc1nnc2sc(-c3cccc(NC(=S)NC(=O)c4ccccc4OC)c3)nn12 57316299 UORCHEHNUXDXKY-UHFFFAOYSA-N 438.538 3.551 0 40 IHAB COC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)CN1CCN(c2cccc(C)c2C)CC1 61935658 NJFURSRWOCJKDV-UHFFFAOYSA-N 434.540 3.640 0 40 IHAB CCOc1cc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)c(C)cc1OC 72393014 BTWZVQRFJOTQMK-IBGZPJMESA-N 434.540 3.927 0 40 IHAB CCOC(=O)[C@@H]1C[C@H]2C(Cl)=C[C@@]13[C@@H]1Cc4ccc(OC)c5c4[C@@]3(CCN1C)[C@]2(C)O5 100393664 QFJCSTJNJZNCPB-DXTVHIQWSA-N 429.944 3.666 0 40 IHAB biogenic,in-vitro Cc1c(Cl)cccc1N(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)C(=O)C(F)(F)F 100395329 UOFDCAXNIFHUFR-OSWLLCPQSA-N 438.833 3.554 0 40 IHAB Cc1ccc(=O)n(CC2(O)C[C@H]3CC[C@H](C2)N3Cc2cn(C(C)C)c3cc(F)ccc23)n1 100737920 WYNVJAQMQGVUKY-NHCUHLMSSA-N 438.547 3.785 0 40 IHAB CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cccnc4)[C@@H]3C2=O)cc1 101033105 CGDNNSCPXPIDBQ-ZRBLBEILSA-N 429.476 3.922 0 40 IHAB COc1ccc(C)cc1N([C@@H](C)C(=O)NCCCc1ccccc1Cl)S(C)(=O)=O 220342488 JSSMDMKTJQPIDJ-INIZCTEOSA-N 438.977 3.561 0 40 IHAB CCN(c1ccc(C(=O)NCCCOC2CCCC2)cc1)S(=O)(=O)c1ccccc1 224366062 KZXZKYUVWJLQNP-UHFFFAOYSA-N 430.570 3.981 0 40 IHAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-n3cnnc3)c2C)c1 224523813 RLUODKJZRPBCAQ-YADHBBJMSA-N 445.552 3.589 0 40 IHAB COc1ccc(OCCNC(=O)CCCN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1 224665196 OVUXSJDSYFHPRV-UHFFFAOYSA-N 448.585 3.560 0 40 IHAB Cc1cccc(OCCNC(=O)CCCN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)c1 224777504 RXXZPHDNKFHOHN-UHFFFAOYSA-N 438.977 3.698 0 40 IHAB CCOC(=O)c1cnc(NC(=S)NCCNc2ccnc3cc(Cl)ccc23)nc1C 225225464 UAOHYOKBQDVEJR-UHFFFAOYSA-N 444.948 3.562 0 40 IHAB CC[C@H](NC(=S)Nc1ccc(N2CCCC2=O)cc1)c1ccc(S(C)(=O)=O)cc1 225724897 ALWIYFGZALBRSB-IBGZPJMESA-N 431.583 3.655 0 40 IHAB COCCCNC(=S)Nc1nc(N2CCCCCC2)cc(N2C[C@@H](C)C[C@H](C)C2)n1 225901559 XBSIHBRPQGFXAG-ROUUACIJSA-N 434.654 3.662 0 40 IHAB COc1ccc(Br)cc1C=c1sc2nc(-c3cccc(Cl)c3)nn2c1=O 254441304 YAUVSBDVVZVPAX-UHFFFAOYSA-N 448.729 3.790 0 40 IHAB O=C(O)CN(CCc1ccccc1)C(=O)CCCn1c(C(F)(F)F)nc2ccccc21 257248928 JFVNFDOVRIRPGO-UHFFFAOYSA-N 433.430 3.991 0 40 IHAB C[C@@]1(CNC(=O)c2ccc(OCC(=O)O)cc2)CCC[C@@H](O)C[C@H](c2ccccc2)C1 257268422 MLQCTZRUVNAFLJ-BPYKYCOYSA-N 425.525 3.995 0 40 IHAB Cc1ncc(-c2ccccn2)c([C@H]2CC[C@H](CNC(=O)CCCN3CCCC3=O)CC2)n1 257305605 SQTANOVIGJTRAU-MXVIHJGJSA-N 435.572 3.640 0 40 IHAB CN1CCC(Cc2ccccc2F)(C(=O)N2CCC[C@H](c3ccnc(N(C)C)c3)C2)CC1 257324329 WOENORRYRUTLFN-QFIPXVFZSA-N 438.591 3.947 0 40 IHAB CCc1ccc([C@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)cc1 260772722 WCUXAFWVIBFSJC-KSFYIVLOSA-N 444.597 3.951 0 40 IHAB C[C@H](CNC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1)c1ccccc1 260793153 KLWLXBPJYCZCTP-WZONZLPQSA-N 436.533 3.563 0 40 IHAB COc1cccc(N(CCCC(=O)N[C@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)c1 260949496 XIBHPXUTVTWTPY-QGZVFWFLSA-N 430.570 3.608 0 40 IHAB c1cc(N2CCOCC2)n2cc([C@@H]3CN(Cc4ccsc4)CCN3CC3CC3)nc2c1 306139973 UFWLZAHIMCYRHL-QFIPXVFZSA-N 437.613 3.501 0 40 IHAB O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl)Nc1ccccc1F 408597515 XEMNVOHNZVXGIA-UHFFFAOYSA-N 426.897 3.718 0 40 IHAB Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1C(=O)Nc1cccc(C(F)(F)F)c1 408636395 PNWUYNNFADFEKJ-INIZCTEOSA-N 442.459 3.723 0 40 IHAB COc1ccc(C(=O)[C@@H](C)N(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)CCC2=O)cc1 408653426 PUFYJKXWRLNDNW-GFCCVEGCSA-N 449.290 3.780 0 40 IHAB Cc1cccc(C)c1N1C[C@@H](C(=O)OCC(=O)Nc2cccc(C(F)(F)F)c2)CC1=O 408671042 SALXMDQSAXJGJT-HNNXBMFYSA-N 434.414 3.857 0 40 IHAB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc2c1OCO2 409231767 KMUVPTSYHDPSPC-LZYBPNLTSA-N 446.868 3.752 0 40 IHAB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OC)c(C)c3OC)C2=O)cc1 409251220 UBVQBAMZQYRBGK-WOJGMQOQSA-N 442.493 3.696 0 40 IHAB CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1ccc(C(=O)O)cc1 409338020 BOPKTQNWYKNBFW-UHFFFAOYSA-N 440.525 3.923 0 40 IHAB C[C@@H]1CN(C(=O)[C@H]2CCC(=O)c3ccccc32)CCN1C(=O)[C@@H]1CCC(=O)c2ccccc21 500064723 IFXHSJSRWYHCLX-MQNAVGNWSA-N 444.531 3.566 0 40 IHAB O=C(O)C[C@@H]1CCCN(C(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)C1 532875404 YGTPHMHEICNHLE-JXFKEZNVSA-N 428.916 3.915 0 40 IHAB O=C1c2ccccc2C(=O)N1CCCc1nc2ccccc2c(=O)n1-c1ccc(F)cc1 784708 GHWFMACUBIZHQO-UHFFFAOYSA-N 427.435 3.754 0 40 IHAB COc1ccc([C@@H](NC(=O)CCCN2C(=O)c3ccccc3C2=O)c2ccccc2)cc1 2257649 HLMATIPUXBWIKM-DEOSSOPVSA-N 428.488 3.977 0 40 IHAB CC1(C)Cc2c(c(N3CCCC3)nc3sc4c(NCCCCN)ncnc4c23)CO1 2420594 VGFACKVWYIPLOH-UHFFFAOYSA-N 426.590 3.842 0 40 IHAB Cc1ccc(Nc2nnc(SCC(=O)N3CC(=O)Nc4ccccc43)s2)c(C)c1 2621864 CBNCOWYBHUETGD-UHFFFAOYSA-N 425.539 3.976 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc2oc(SCC(=O)c3ccc(OC)cc3)nc2c1 3231439 ZEJXFFRGEVDOQT-UHFFFAOYSA-N 434.539 3.842 0 40 IHAB CCc1cccc(CCc2ccccc2OC[C@@H](CN(C)C)OC(=O)CCC(=O)O)c1 5956505 IBYPCZOGLBHBTO-JOCHJYFZSA-N 427.541 3.751 0 40 IHAB CC(C)(C)c1ccc(OCC(=O)NC(=S)Nc2ccccc2N2CCOCC2)cc1 6349244 LHQANSXUJBIKJB-UHFFFAOYSA-N 427.570 3.713 0 40 IHAB C[C@@H](Sc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 8756850 VAVDIVFEGZVGCT-CYBMUJFWSA-N 432.502 3.536 0 40 IHAB COc1ccccc1NC(=O)[C@H](C)n1cnc2sc(C(=O)OC(C)C)c(C)c2c1=O 8926990 VSIGVPKHTSMILA-ZDUSSCGKSA-N 429.498 3.540 0 40 IHAB O=c1/c(=C/c2ccncc2)sc2n1[C@@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 9111408 ATXHTPXZIHDDQC-FBHQFGEZSA-N 427.554 3.775 0 40 IHAB Cc1ccccc1OCC(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1 9355145 URGMCDBGWCVYPD-UHFFFAOYSA-N 429.520 3.975 0 40 IHAB COc1ccc(NC(=O)CSc2nnc(NC(=O)c3ccccc3OC)s2)cc1 9364628 KZLDMSASZBWGAW-UHFFFAOYSA-N 430.511 3.538 0 40 IHAB CCOC(=O)C1CCN(C(=O)c2cc(S(=O)(=O)Nc3cccc(C)c3)ccc2C)CC1 9373611 IHUJLPJGNBSDOG-UHFFFAOYSA-N 444.553 3.520 0 40 IHAB COc1ccc(-n2nc3c(c2NC(=O)c2ccc(OC(C)C)cc2)C[S@](=O)C3)cc1 9413826 GGPTVUZURHPFKZ-SSEXGKCCSA-N 425.510 3.683 0 40 IHAB O=C(COC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3)Nc1ccc(F)c(Cl)c1 9439403 HEMRFGGFUHYHCQ-UHFFFAOYSA-N 443.862 3.711 0 40 IHAB CCN(CC)CCCn1cc2c(c1-c1ccc(Cl)cc1Cl)c(=O)n(C)c(=O)n2C 9476733 NTPXMFHPFASONI-UHFFFAOYSA-N 437.371 3.744 0 40 IHAB Cc1ccccc1NC(=O)Cn1c(=O)n(-c2ccccc2)c(=O)c2oc3ccccc3c21 9603143 OWAKRUOYPVMWBA-UHFFFAOYSA-N 425.444 3.846 0 40 IHAB NC(=O)NC(=O)[C@H](Sc1nnc(Cc2cccs2)n1-c1ccccc1)c1ccccc1 9609352 QQHZJAOFGKXPKO-LJQANCHMSA-N 449.561 3.948 0 40 IHAB COc1ccc(OC)c(-c2csc(NC(=O)CSc3nnc(NC4CC4)s3)n2)c1 9671718 OWSBCDDGWYQJDV-UHFFFAOYSA-N 449.583 3.984 0 40 IHAB CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)Cn1ccccc1=O 9883172 LPIHUBTXJYYKSC-UHFFFAOYSA-N 435.480 3.537 0 40 IHAB Cn1c(=O)c2ccccc2n2c(COC(=O)c3cc4c(s3)-c3ccccc3CC4)nnc12 9959986 MDNSOYIYIUURLR-UHFFFAOYSA-N 442.500 3.765 0 40 IHAB Cn1ccnc1[C@@H](NC(=O)CSc1nnc2c(Cl)cc(Cl)cn12)c1ccccc1 10098297 RJLDGKWOEXOTGG-INIZCTEOSA-N 447.351 3.768 0 40 IHAB O=C([C@H]1COc2ccccc2O1)N(CCCn1ccnc1)c1nc2c(F)cccc2s1 10337719 WPWNYRFQTZGBMM-GOSISDBHSA-N 438.484 3.895 0 40 IHAB CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)S(=O)(=O)c1ccc(Cl)cc1 10537089 OSXQTGXLZWMRSJ-UHFFFAOYSA-N 437.905 3.618 0 40 IHAB COc1cc(CCC2CCN(C(=O)c3ccc(S(C)(=O)=O)cc3)CC2)cc(OC)c1 11128216 AWZMLGMSWWUJNF-UHFFFAOYSA-N 431.554 3.592 0 40 IHAB CC1CCN(CCCNC(=O)[C@@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)CC1 11714155 FDGZQTQTONOWBN-IBGZPJMESA-N 428.404 3.986 0 40 IHAB Cc1cc(C(F)F)n2ncc(C(=O)N3CCC[C@@]4(C)c5nc(C)ncc5CC[C@@H]34)c2n1 12232806 ZKDRZHCUVNDCCS-VGOFRKELSA-N 426.471 3.582 0 40 IHAB O=C(Nc1ccc(N2CCCCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 12557574 NXKJTEKJERSHSM-QGZVFWFLSA-N 433.599 3.778 0 40 IHAB CCCCN(C)S(=O)(=O)c1ccc(NCC(=O)NCCc2cccc(Cl)c2)cc1 12778625 OMOPAHLFBPMTOM-UHFFFAOYSA-N 437.993 3.531 0 40 IHAB CC(C)n1c(SCC(=O)Nc2nccs2)nnc1[C@H](C)NC(=O)c1ccccc1 12851450 FITLXRQWRMCESC-ZDUSSCGKSA-N 430.559 3.537 0 40 IHAB O=C(NC1CCCCC1)[C@@H](c1cccnc1)N(CCc1ccccc1)C(=O)c1csnn1 12872598 OXXJIDCYAAHGAZ-JOCHJYFZSA-N 449.580 3.808 0 40 IHAB CNS(=O)(=O)Cc1ccccc1CNC(=O)c1cc(-c2ccccc2)nc2ccccc12 12892984 SPUMOIOGFGITLK-UHFFFAOYSA-N 445.544 3.881 0 40 IHAB CC(C)n1ncc2c(C(=O)N3CCN(CCOc4ccccc4)CC3)cc(C3CC3)nc21 12996700 SICOHBUCNFYAFL-UHFFFAOYSA-N 433.556 3.726 0 40 IHAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccco3)Cc3nnnn3Cc3ccco3)cc2c1 13032965 LSRWSPBMBIIQRS-UHFFFAOYSA-N 444.495 3.514 0 40 IHAB CCc1nc(NCCNC(=O)c2c(OC)cccc2OC)c2c3c(sc2n1)CCCC3 13502674 LIEPNXCKZFDZID-UHFFFAOYSA-N 440.569 3.992 0 40 IHAB Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)CNC(=O)c2ccco2)c2ccccc2)o1 13506644 ZNEDQEZVFBHUBE-QHCPKHFHSA-N 449.507 3.744 0 40 IHAB COc1ccc(S(=O)(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)cc1OC 13632181 IQAPCFJUGVTJKL-UHFFFAOYSA-N 431.485 3.900 0 40 IHAB CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)NCCCN2CCCCCC2)cc1 13668193 ACPQJJLJZNZJIG-UHFFFAOYSA-N 443.613 3.649 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3Cc3ccccc3)CC2)cc1 15323928 LZQOMBZYVKLPIF-UHFFFAOYSA-N 434.561 3.733 0 40 IHAB COc1ccc(S(=O)(=O)N(Cc2ccc(OC(F)F)c(OC)c2)C2CC2)cc1OC 15358385 VOFPDFBYQUVREC-UHFFFAOYSA-N 443.468 3.667 0 40 IHAB Cc1cc(C)c(S(=O)(=O)NCCc2csc3nc(-c4cccs4)nn23)cc1C 15783835 YOOWFUJKYRNYME-UHFFFAOYSA-N 432.596 3.966 0 40 IHAB C[C@@H]1CCCC[C@H]1NC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1 15796754 BTDLIEWMPNFRMT-AUSIDOKSSA-N 441.597 3.506 0 40 IHAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(OC)c(Cl)c2)cc1Cl 16692628 XFOTXSYDWRTSMM-UHFFFAOYSA-N 447.340 3.660 0 40 IHAB COc1ccccc1N(CCC(N)=O)C(=O)CSc1ncc(C(F)(F)F)cc1Cl 16768329 SJQPZIGNELUZOP-UHFFFAOYSA-N 447.866 3.763 0 40 IHAB CSc1nc2nc(C)c(CCC(=O)O[C@@H](C)C(=O)Nc3ccc(Cl)cc3)c(C)n2n1 17217722 YCMZPKVWOFIHHX-ZDUSSCGKSA-N 447.948 3.619 0 40 IHAB COc1ccc(-c2nnc([C@H](C)OC(=O)C[C@@H]3Sc4ccccc4NC3=O)o2)cc1 18480242 MOUXSMXOEDZANZ-SJCJKPOMSA-N 425.466 3.853 0 40 IHAB COc1ccc(-c2ccc(C[C@H]3CN(C(=O)c4cc(C(C)C)n[nH]4)CCNC3=O)cc2)cc1 19451861 AGSMTQRDIISSMZ-NRFANRHFSA-N 446.551 3.640 0 40 IHAB COc1ccc(-c2cnc(N(C)C)nc2[C@H]2CCN(C(=O)c3cccc(N(C)C)c3)C2)cc1 19694799 WPIUIZNBOKKNPZ-FQEVSTJZSA-N 445.567 3.914 0 40 IHAB O=C(C[C@H]1C(=O)N(Cc2ccc3c(c2)OCO3)c2nc3ccccc3n21)Nc1ccccc1 19961991 QVQAECUNDJOQOV-FQEVSTJZSA-N 440.459 3.882 0 40 IHAB CC(=O)c1cccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(F)cc2)c1 20008080 TVLWFESJQVZHQJ-JOCHJYFZSA-N 440.496 3.557 0 40 IHAB COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(F)cc2)cc1C 20008742 UFZFQOSQRKSSMO-NRFANRHFSA-N 442.512 3.671 0 40 IHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H](C)Sc1ccc(OC)c(OC)c1 20107857 PLIRADIOVKRLQR-LBPRGKRZSA-N 435.498 3.627 0 40 IHAB COc1ccc(CCN2C(=O)c3ccc(C(=O)Nc4cccc(O)c4)cc3C2=O)cc1OC 21025741 HTUKDTLWLCLKGN-UHFFFAOYSA-N 446.459 3.500 0 40 IHAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc2c(c1)CCC2 21473621 UFOXXJKEAPTDOF-UHFFFAOYSA-N 426.460 3.843 0 40 IHAB CCc1nc2sc([C@@H](c3ccccc3Cl)N3CCC(C(=O)OC)CC3)c(O)n2n1 22853588 GVBFJLQNHSKMGR-MRXNPFEDSA-N 434.949 3.687 0 40 IHAB O=C(CN1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1)Nc1ccccc1Cl 22915922 RGFODAYUHYTHBN-UHFFFAOYSA-N 446.338 3.800 0 40 IHAB Cn1cnnc1Sc1ccccc1NS(=O)(=O)c1cccc(OC(F)(F)F)c1 22959199 XFWBWIJKPQUEPC-UHFFFAOYSA-N 430.433 3.666 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1[C@H]1C(=O)NCCN1C(=O)c1cccc(C(F)(F)F)c1 25145276 PFYHGEFWCJIJLH-FQEVSTJZSA-N 442.441 3.821 0 40 IHAB C[C@H]1CCCC[C@@H]1NC(=O)CNc1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1F 26796711 OWHGDFRCDFHYND-KSSFIOAISA-N 427.476 3.914 0 40 IHAB Cn1c(SCc2ccc(Br)cc2)nnc(Nc2ccc3c(c2)OCO3)c1=O 28537387 XPLPAXJSZOFCTK-UHFFFAOYSA-N 447.314 3.702 0 40 IHAB COc1ccc(OC)c(CN2CCN(C(=O)Cc3nc(-c4ccccc4)oc3C)CC2)c1 29984990 JLAUFQDFDVNEAF-UHFFFAOYSA-N 435.524 3.554 0 40 IHAB C[C@@H]1c2ccsc2CCN1C(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 30549818 AVLQTWFXZNKLMD-CYBMUJFWSA-N 440.537 3.573 0 40 IHAB CC(=O)Nc1cccc(-n2cnnc2SCC(=O)N2CCC[C@H]2c2cccs2)c1 32778432 DMUVMEHUBZKKCE-KRWDZBQOSA-N 427.555 3.743 0 40 IHAB CCCCCN(CC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1)C(C)C 32810006 RHBCRBMEWVZIAT-UHFFFAOYSA-N 439.622 3.709 0 40 IHAB CCOc1ccc(NC(=O)[C@@H]2Cc3ccccc3S2)cc1S(=O)(=O)N1CCCC1 32879853 XALSWIXBPKRCGM-IBGZPJMESA-N 432.567 3.525 0 40 IHAB COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ccc2c(c1)nc1n2CCN(CC(C)C)C1 40267233 QWFBYYLAKNBSRD-HSZRJFAPSA-N 436.512 3.806 0 40 IHAB CCN(c1ccc(C)cc1C)S(=O)(=O)c1nnc(NC(=O)c2ccc(C)cc2)s1 41085495 CHGNBFKEMPTLKO-UHFFFAOYSA-N 430.555 3.931 0 40 IHAB CC(C)(CN1C(=O)[C@@H](Oc2ccccc2F)[C@H]1c1cc(F)ccc1F)N1CCOCC1 48235803 TZAAKXZSNYLUQE-RTWAWAEBSA-N 434.458 3.546 0 40 IHAB COc1cccc([C@H](CNS(=O)(=O)c2ccc(Br)cc2)N2CCCC2)c1 48375386 MJDZFMHRIPUAGD-IBGZPJMESA-N 439.375 3.573 0 40 IHAB COC(=O)c1cn(Cc2ccccc2Cl)nc1S(=O)(=O)N(C)c1ccc(C)cc1 49402317 MXVJCUUHSDPEKH-UHFFFAOYSA-N 433.917 3.505 0 40 IHAB C[C@H](NCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccc(S(C)(=O)=O)cc1 57383149 IRXNRVONMTYWJZ-INIZCTEOSA-N 444.553 3.811 0 40 IHAB O=C(CNC(=O)c1ccc(Cl)cc1Cl)NC[C@@H]1CCCN(Cc2ccccc2)C1 58061241 IELAHPHDLYBRAB-KRWDZBQOSA-N 434.367 3.752 0 40 IHAB C[C@H](c1nc(-c2cccs2)no1)S(=O)(=O)Cc1cc(Cl)c2c(c1)OCCO2 58135813 OJLQYPYTFMFMNS-SNVBAGLBSA-N 426.903 3.899 0 40 IHAB Cc1ccc(C)c(N2CCN(C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@@H](C)[C@@]5(C)[C@H](O)[C@@H]43)CC2)c1 59415229 LSGWJALQGUMIRM-VMAPLMQKSA-N 438.612 3.710 0 40 IHAB biogenic O=C(Nc1ccc(C(=O)N2CCCSCC2)c(O)c1)c1cccc(Br)c1 63760782 ZBZFWSJGCLQNDO-UHFFFAOYSA-N 435.343 3.986 0 40 IHAB COc1cc(/N=c2\oc3c(OC)cccc3cc2C(=O)NC[C@@H]2CCCO2)cc(OC)c1 67293783 FZSQOZOCCRMFIG-ZRZCPFIBSA-N 438.480 3.600 0 40 IHAB O=C(c1ccccc1F)N1CCC[C@H](c2nc(N3CCOCC3)ncc2-c2cccnc2)C1 72348000 XOHXTJGIQSGYML-IBGZPJMESA-N 447.514 3.534 0 40 IHAB CCOc1cc(C)ccc1OCC(=O)N1CCC[C@@H](c2cc(C(F)F)n3ncnc3n2)C1 72395360 LVMUFOSXBHNTJI-OAHLLOKOSA-N 445.470 3.554 0 40 IHAB CN(C)c1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2cccs2)cc1 95348947 XBNBREDNDYHWIW-FQEVSTJZSA-N 441.578 3.568 0 40 IHAB O=C(CN1CC=C(c2c[nH]c3ccccc23)CC1)NCc1ccc(NC(=O)C2CC2)cc1 95349222 NBKRXGXOZTYFKP-UHFFFAOYSA-N 428.536 3.922 0 40 IHAB CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)Nc2ccccc2-c2cn[nH]c2)s1 96011298 KJBOGEOIDZGSIH-UHFFFAOYSA-N 432.571 3.644 0 40 IHAB COc1ccccc1OCCCNC(=O)[C@@H]1C[C@@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2N1 100118006 BZYGWHMVYBXXEH-SWCOFVSZSA-N 449.551 3.568 0 40 IHAB NC(=O)c1sc2ccccc2c1[C@H]1CC[C@H](CNC(=O)Cn2nnc3ccccc32)CC1 100657966 HVIVXRGUCNNRRM-IYBDPMFKSA-N 447.564 3.835 0 40 IHAB C[C@@H](Nc1cccc(F)c1)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12 116734587 HTLPVYXAOHAAIF-OAHLLOKOSA-N 439.487 3.644 0 40 IHAB CCOc1ccc(CNC(=O)[C@H](C)N(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 220438547 OMPFHJDJAFMHPB-ZDUSSCGKSA-N 445.368 3.863 0 40 IHAB CCOc1cc(CNC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)ccc1OC 224026050 WUKRFTBVHCZQBA-UHFFFAOYSA-N 440.521 3.825 0 40 IHAB CCSc1nnc(NC(=O)[C@@H](CC)N(c2cc(Cl)ccc2C)S(C)(=O)=O)s1 224048182 RVRHQHIKKMKLTP-GFCCVEGCSA-N 449.023 3.795 0 40 IHAB CN(c1cccc(NC(=S)NCCSCc2ccccc2Cl)c1)S(C)(=O)=O 225296408 KYGYZFKLTFJKGG-UHFFFAOYSA-N 444.047 3.956 0 40 IHAB Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(S(=O)(=O)N3CCCC3)cc1)CC(C)(C)O2 225570569 ASHNSSAHOSMJIW-FQEVSTJZSA-N 428.554 3.812 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2c(C)cc(Br)cc2C)cc1 226061395 MGSWUQRVQQZCEE-UHFFFAOYSA-N 425.348 3.634 0 40 IHAB Cc1nc([C@@H]2CCN(C(=O)c3ccc(N(C)C)cc3)C2)nc2c1CCC(=O)N2CCC(C)C 257233112 GNWVCTGKIWQSNI-HXUWFJFHSA-N 449.599 3.806 0 40 IHAB CC(C)Oc1cc(CCC(=O)N2CCNC(=O)[C@H]2Cc2cccc(-c3ccccc3)c2)on1 257252335 JUKGNZFIAPEGQU-HSZRJFAPSA-N 447.535 3.631 0 40 IHAB CNc1cc(C)nc([C@]2(C)CCCN(C(=O)C3(C)CCN(C(=O)c4ccccc4)CC3)C2)n1 257267533 MHRNVPHCYDZUGJ-AREMUKBSSA-N 449.599 3.649 0 40 IHAB COc1cccc2c1OC(C)(C)[C@H]1CC3(CCN(C(=O)Cn4ccnc4C)CC3)CO[C@H]21 257286453 PLQMHSYWBOWMIS-SIKLNZKXSA-N 439.556 3.758 0 40 IHAB CC[C@@H](C(=O)N[C@H](C)c1ccc2c(c1)CCC2)N(c1cccc(OC)c1)S(C)(=O)=O 260920111 FNLCEVLWEMEHLU-ZHRRBRCNSA-N 430.570 3.606 0 40 IHAB COc1cc(NC(=O)[C@@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)c(OC)cc1Cl 408629989 LTXWXJNVFWMSCT-CQSZACIVSA-N 440.949 3.767 0 40 IHAB CCOc1cc(/C=C(\Sc2n[nH]c(CC)n2)C(=O)O)cc(Br)c1OC 408631840 MCZXMDHAWRDRFZ-WQLSENKSSA-N 428.308 3.755 0 40 IHAB CCc1ccc(-c2ccc(CCC(=O)O)n2NC(=O)C[C@H]2Oc3ccccc3NC2=O)cc1 408973110 YZUCTUVAKRFKAD-JOCHJYFZSA-N 447.491 3.595 0 40 IHAB CCOc1cc(C=C(C(=O)OC)C(=O)OC)cc(Cl)c1OCc1ccc(C(=O)O)cc1 409076094 XSOOFUDGURZLGS-UHFFFAOYSA-N 448.855 3.745 0 40 IHAB O=C(CNS(=O)(=O)c1cc(Cl)ccc1Cl)NCc1ccc(Cl)cc1Cl 409145235 NJZLXOHQKMVZCA-UHFFFAOYSA-N 442.151 3.895 0 40 IHAB COc1cccc(C(=O)OCC(=O)Nc2c(C)cc(I)cc2C)c1 409201750 XTMVSODPBWHCOM-UHFFFAOYSA-N 439.249 3.712 0 40 IHAB COCCn1c(C)cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c1C 409247612 DQTWELSRGKVIAU-VCHYOVAHSA-N 431.489 3.565 0 40 IHAB COc1ccc(Br)cc1-c1noc(CCc2nc(-c3ccccn3)no2)n1 544134127 OCEGKVHZTGYMTJ-UHFFFAOYSA-N 428.246 3.738 0 40 IHAB CN1CCN(CCC(=O)N2CC3(CCOCC3)c3cc(-c4cccc(F)c4)ccc32)CC1 585105811 PEVGAKKTKYEERB-UHFFFAOYSA-N 437.559 3.525 0 40 IHAB COc1cc2c(cc1OC)CN(C(=O)c1cn(-c3cccc(C(F)(F)F)c3)nn1)CC2 606757430 JCHGSXLLTNHWFL-UHFFFAOYSA-N 432.402 3.502 0 40 IHAB O=C(N1C[C@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]2C1)C1(c2ccccc2)CCOCC1 1888876189 BAESSAJQQJOBQV-QZTJIDSGSA-N 445.485 3.743 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCCC2)c2ccccc2)cc1OC 640035 RFLRUQOCRADULZ-UHFFFAOYSA-N 446.569 3.738 0 40 IHAB CCOc1ccc2[nH]c(=O)c(CN(Cc3ccco3)S(=O)(=O)c3ccccc3)cc2c1 1221959 BEBHEEDGDWOJJH-UHFFFAOYSA-N 438.505 3.911 0 40 IHAB CN(C)c1ccc(C(=O)NC2(N3C(=O)C[C@H]3c3ccc4c(c3)OCO4)CCCCC2)cc1 1409723 BZTXRIWCALTEKM-FQEVSTJZSA-N 435.524 3.845 0 40 IHAB COc1ccc(CCn2c(N)c(C(=O)OC(C)C)c3nc4ccccc4nc32)cc1OC 2358570 HVNLDGLDGALQTF-UHFFFAOYSA-N 434.496 3.992 0 40 IHAB O=C(Cn1nnc(-c2ccccc2)n1)Nc1cnn(Cc2c(Cl)cccc2Cl)c1 2787794 OKOLEGASVMKXQL-UHFFFAOYSA-N 428.283 3.530 0 40 IHAB CCN(CC)S(=O)(=O)c1cccc(-c2nc3c4c5c(sc4ncn3n2)CCCC5)c1 3207499 QNZGQBYCINSGKE-UHFFFAOYSA-N 441.582 3.915 0 40 IHAB O=C(CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)N1CCc2ccccc2C1 3345559 VIGQGPODUDGUAX-SFHVURJKSA-N 440.594 3.863 0 40 IHAB COc1cc2cc([C@@H]3CC(c4ccco4)=NN3S(C)(=O)=O)c(Cl)nc2cc1OC 4171888 WOHXGVWAACVQRU-HNNXBMFYSA-N 435.889 3.609 0 40 IHAB C[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)Nc1ccc(OC(F)(F)F)cc1 8824804 VVSHDHYGONDAOJ-NSHDSACASA-N 444.793 3.539 0 40 IHAB Oc1cc(Cc2ccccc2)c(I)nc1I 8951491 LTQTWQLWIKQAPF-UHFFFAOYSA-N 437.018 3.587 0 40 IHAB O=C(c1ccc(F)cc1)[C@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=NN12 9184937 IVIZFPPZXFBPMZ-WZYRSQIMSA-N 439.446 3.587 0 40 IHAB CCCc1nnc2n1N[C@@H](c1ccc(F)cc1)[C@@H](C(=O)Nc1ccc(OC)cc1)S2 9239205 WFIRXHUAWQCWGW-OALUTQOASA-N 427.505 3.776 0 40 IHAB CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1ccc2c(c1)OCO2 9263091 DGOYOTUTJYWWPO-UHFFFAOYSA-N 440.525 3.953 0 40 IHAB COc1ccccc1Cn1c(=O)c2ccccc2n2c(SCc3c(C)noc3C)nnc12 9285702 HOWRLOHHLUJLEG-UHFFFAOYSA-N 447.520 3.998 0 40 IHAB COc1cc(NC(=O)COc2cc(C)cc3oc(=O)c(C)c(C)c23)cc(OC)c1OC 9409614 OEBYOFCKDDOYDI-UHFFFAOYSA-N 427.453 3.762 0 40 IHAB O=C(c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1)N1CC[C@H]2CCCC[C@@H]2C1 9468059 IXQGWDLNQKEAQI-SJLPKXTDSA-N 442.537 3.868 0 40 IHAB O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O)Nc1cccc(F)c1 9698770 MFLWCTGVYYYWQC-UHFFFAOYSA-N 436.370 3.561 0 40 IHAB CC(C)C(=O)Nc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 9713495 MYOGSTPDMPQDCP-UHFFFAOYSA-N 426.542 3.726 0 40 IHAB Cc1cc(C)cc(-n2c(SCC(=O)Nc3cc(C)on3)nc3c(c2=O)SCC3)c1 11025584 GZJDNCLUYHPVAO-UHFFFAOYSA-N 428.539 3.525 0 40 IHAB Cc1cc(=O)c(C(=O)OCc2ccc(F)cc2Br)nn1-c1ccccc1F 11271205 KUWARIDOKHGFIO-UHFFFAOYSA-N 435.224 3.939 0 40 IHAB CCOC(=O)c1sc2cccc(F)c2c1COC(=O)[C@@H]1CCCN(c2ncccn2)C1 12813616 KYBHQNWPJJCEQA-CQSZACIVSA-N 443.500 3.967 0 40 IHAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)c1cc(C2CC2)nc2ccccc12 12908542 YGSBIFQFEQSPMO-INIZCTEOSA-N 442.519 3.948 0 40 IHAB COc1cc(CCC2CCN(CN3C(=O)N[C@]4(CCCC[C@@H]4C)C3=O)CC2)cc(OC)c1 12943502 YDQOHLCNNABMOB-BVZFJXPGSA-N 443.588 3.807 0 40 IHAB CC[C@H](C)c1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)Nc3ccccc3C)CC2)cc1 13039955 HPZFNOKLOLNXCR-ICSRJNTNSA-N 443.613 3.842 0 40 IHAB O=c1[nH]c2ccccc2cc1CN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc(Cl)cc1 13494431 IWTFQMDLAQYOFV-SFHVURJKSA-N 432.929 3.551 0 40 IHAB CCc1ccccc1N(CC(=O)NC1CCCC1)C(=O)CCC(=O)Nc1nccs1 13501695 DTWRQMLRQVZAJZ-UHFFFAOYSA-N 428.558 3.516 0 40 IHAB CCC(C)(C)NC(=O)CN(C(=O)CCC(=O)Nc1nccs1)c1cc(C)ccc1C 13501853 MJUSPEOTQFASGE-UHFFFAOYSA-N 430.574 3.817 0 40 IHAB COc1ccccc1N1CCN([C@H](c2ccccc2)c2nnnn2Cc2cccs2)CC1 13505241 YPOWYSWKLBPZOC-HSZRJFAPSA-N 446.580 3.703 0 40 IHAB CCN(c1ccc2sc(C(=O)N3CCOCC3)cc2c1)S(=O)(=O)c1ccc(C)cc1 13610006 BMGSGZCYHCUJIL-UHFFFAOYSA-N 444.578 3.897 0 40 IHAB Cc1cc(C)c(NC(=O)CNC(=O)[C@H](C)NC(=O)Cc2cccc3ccccc23)c(C)c1 14228010 BXWIXRTXEMKGPZ-IBGZPJMESA-N 431.536 3.567 0 40 IHAB Cc1ccc(OCCNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)c(C)c1 15139478 VLRVNICNBYSRSQ-UHFFFAOYSA-N 430.570 3.595 0 40 IHAB CCCc1cc(C(=O)N/N=C/c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)sc1C 15520180 OYHBVJIBBAOIKW-WSDLNYQXSA-N 431.539 3.680 0 40 IHAB COc1ccc([C@H]2S[C@@H](C)C(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC 17197808 ZRSWUJMCGVEDDR-NPMXOYFQSA-N 439.537 3.669 0 40 IHAB CC[C@H]1CCCCN1CC(=O)NCc1ccc(-c2ccnc3nc(C(F)(F)F)nn23)cc1 19500966 KZHVPDKXUJIBJZ-KRWDZBQOSA-N 446.477 3.691 0 40 IHAB Cc1sc2ncn(CC3(O)CCN(C(=O)c4c(F)cccc4Cl)CC3)c(=O)c2c1C 19561389 FIJOLJAYXKAPJQ-UHFFFAOYSA-N 449.935 3.535 0 40 IHAB CN(Cc1ccccc1)C(=O)c1c[nH]nc1-c1ccc(CNC(=O)c2ccccn2)cc1 19586505 BMLWMWCCMGEWMU-UHFFFAOYSA-N 425.492 3.674 0 40 IHAB Cc1ccc(CC(=O)N2CCO[C@@H](c3ccc(-c4ccc(C(N)=O)cc4)cn3)C2)cc1C 19693498 DITQQLOKGVNFHP-XMMPIXPASA-N 429.520 3.607 0 40 IHAB Cc1nc([C@H]2CCN(C(=O)C3CCCC3)C2)nc2c1CCC(=O)N2Cc1cccc(F)c1 19738864 BLHMMNUOVQFEQA-IBGZPJMESA-N 436.531 3.910 0 40 IHAB Cc1nc([C@@H]2CCCN2C(=O)COc2ccccc2C(C)C)ncc1C(=O)N1CCCC1 19755946 CVHTTWVKCIZNMV-NRFANRHFSA-N 436.556 3.887 0 40 IHAB CCOC(=O)c1ccc(-n2ccc3c(nnc4c(-c5ccc(F)cc5)c(C)nn43)c2=O)cc1 19962672 LOIVPSDXIPTCRU-UHFFFAOYSA-N 443.438 3.720 0 40 IHAB CCN(CC(=O)N[C@H](C)c1ccc(OC)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 20014696 MRFNFDAYYZLDQI-CYBMUJFWSA-N 445.368 3.890 0 40 IHAB COc1ccc(C(=O)NC(=S)Nc2cc(C(=O)O)c(Cl)cc2Cl)cc1OC 20153439 CNYIRAVYAPNVOP-UHFFFAOYSA-N 429.281 3.836 0 40 IHAB O=C(Nc1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 20331477 PHGWNIYLGMQIHQ-KEZOAJOQSA-N 435.483 3.841 0 40 IHAB CN(c1ccc(OCC(=O)Nc2ccccc2Oc2ccccc2)cc1)S(C)(=O)=O 22230781 LUMBOSYWZRYPIY-UHFFFAOYSA-N 426.494 3.892 0 40 IHAB CCc1nc2sc([C@H](c3cccc(OC)c3)N3CCN(c4ccccc4)CC3)c(O)n2n1 22854569 IITLMRIIKAQMHH-NRFANRHFSA-N 449.580 3.979 0 40 IHAB Cc1ccc(-c2nnc(S[C@@H](C)C(=O)N3CCN(Cc4ccccc4)CC3)n2C)cc1 23881003 QNGABUCUWDIVBY-IBGZPJMESA-N 435.597 3.616 0 40 IHAB COC(=O)[C@@H](c1ccccc1Cl)N1CCN(C(=O)CCNc2ccccc2C)CC1 24977180 RNPGGQDRECUOLZ-JOCHJYFZSA-N 429.948 3.509 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCc4[nH]c5ccccc5c4C3)C2)s1 28775357 INEVWZLXMJXHHC-INIZCTEOSA-N 443.594 3.523 0 40 IHAB Cc1sc2ncnc(N3CCC(C(=O)Nc4ccc(-n5cncn5)cc4)CC3)c2c1C 29202114 REYZLDGGJMSTKV-UHFFFAOYSA-N 433.541 3.744 0 40 IHAB COc1ccccc1NC(=O)C1CCN(C(=O)Cc2csc(-c3ccco3)n2)CC1 31430120 IZMDURMYQOYBAD-UHFFFAOYSA-N 425.510 3.832 0 40 IHAB CCOC(=O)c1ccc(S(=O)(=O)Oc2ccc(CCOC)cc2)c(Br)c1 32770598 IMJWRWFTTQJQSU-UHFFFAOYSA-N 443.315 3.582 0 40 IHAB O=c1c2cnn(-c3cccc(C(F)(F)F)c3)c2ncn1Cc1nnc(-c2cccs2)o1 32789481 ZAQCDWMYSLBZIN-UHFFFAOYSA-N 444.398 3.761 0 40 IHAB COCCOCC(=O)Nc1cccc(NC(=O)/C=C/c2ccccc2OC(F)F)c1C 32915955 SCVJQYYMZXSQTN-ZHACJKMWSA-N 434.439 3.850 0 40 IHAB Cc1cc(=O)c(C(=O)NCCSC(F)(F)F)nn1-c1ccccc1C(F)(F)F 32936067 LXBWNRVKJUKJOZ-UHFFFAOYSA-N 425.354 3.543 0 40 IHAB Cc1ccc(N2C(=O)C[C@H](C(=O)OCC(=O)NCc3ccco3)[C@H]2c2cccs2)cc1 39964459 GVRXCQLQDWOHFS-AVRDEDQJSA-N 438.505 3.603 0 40 IHAB CN1CCN(C(=O)c2ccc(CNC(=O)c3ccccc3Oc3ccccc3)cc2)CC1 40111492 MRYUIQDTTGDKGF-UHFFFAOYSA-N 429.520 3.797 0 40 IHAB COc1ccc([C@@H](CNC(=O)c2csc(-c3cnn(C)c3)n2)N2CCCCC2)cc1 40143482 YWTUFVZMYBFUMN-HXUWFJFHSA-N 425.558 3.509 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)CNCc2ccccc2Cl)c1 57211566 YXMLSSDKDLMCFW-UHFFFAOYSA-N 444.384 3.752 0 40 IHAB CN1C(=O)c2ccc(NC(=O)COc3ccc(C4SCCCS4)cc3)cc2C1=O 58366520 MCOZGLYJQPQQGW-UHFFFAOYSA-N 428.535 3.799 0 40 IHAB COc1ccc(C(=O)N2CCC(c3nc(-c4ccc5c(c4)OCO5)no3)CC2)c(OC)c1 67205983 KMXAMMOCSOGVRE-UHFFFAOYSA-N 437.452 3.502 0 40 IHAB CCc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cc(F)ccc4Cl)ncn3n2)cc1 67208940 BYGWKJICCHPMRA-UHFFFAOYSA-N 425.851 3.552 0 40 IHAB CN(C)c1ccc([C@@H](CNC(=O)[C@@H](C2CC2)N2CCOCC2)c2c[nH]c3ccccc23)cc1 72300991 MDOHRWBLNHMQOL-ZEQKJWHPSA-N 446.595 3.593 0 40 IHAB CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)O[C@H](C)c1cnc2ccccc2c1 79052258 DQYVXOKSPWVSBM-IIBYNOLFSA-N 444.578 3.939 0 40 IHAB O=C(COc1ccc(F)cc1F)NC[C@H]1CC[C@H](c2nnc(-c3ccccn3)o2)CC1 100156027 GEINBSRPRKGUCW-GASCZTMLSA-N 428.439 3.879 0 40 IHAB Cc1cc(C)cc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)C(=O)c2ccccc2)c1 100396774 RFLOBBOLLYLZCN-ISGSKPSGSA-N 426.516 3.961 0 40 IHAB Cc1cccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1 101597114 GADQCFHJTLPHNF-AAALWKFZSA-N 426.516 3.598 0 40 IHAB CCOC(=O)C1=C(C)N(N)C(=S)N[C@H]1c1ccc(OCc2ccccc2)c(OCC)c1 107934551 SJFBAZLGUFFBGF-NRFANRHFSA-N 441.553 3.606 0 40 IHAB CC(C)C[C@@H](NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1)c1ccccc1 222807582 QAYKGJBDCVHTRW-QGZVFWFLSA-N 430.555 3.856 0 40 IHAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(F)cc1 222884849 YTZIZKWNIIOMFJ-DEOSSOPVSA-N 434.511 3.763 0 40 IHAB Cc1ccc(C)c(N([C@@H](C)C(=O)NCCOc2ccc3ccccc3c2)S(C)(=O)=O)c1 223605604 VNVYRINNJUAFKX-IBGZPJMESA-N 440.565 3.806 0 40 IHAB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)c1 223844302 IOCOPQDCZUMSIP-UHFFFAOYSA-N 436.917 3.554 0 40 IHAB CCc1ccc(CC)c(CNC(=O)[C@H](CC)Oc2ccc(N(C)S(C)(=O)=O)cc2)c1 225034913 QKGZLRWTQMADIL-QFIPXVFZSA-N 432.586 3.681 0 40 IHAB FC(F)(F)c1cc(N2CCc3ccccc3C2)nc(NC(=S)NCc2cccnc2)n1 225941962 FFJCGEAYXGHYLJ-UHFFFAOYSA-N 444.486 3.940 0 40 IHAB CCN1CCN(C(=O)c2cc(C(C)(C)C)n[nH]2)[C@@H](Cc2cccc(-c3cccnc3)c2)C1=O 257221394 DOWNUXRIRZRKFZ-QFIPXVFZSA-N 445.567 3.685 0 40 IHAB COc1cccc(O[C@H]2CCN(C(=O)c3cc(-c4ccc(F)cc4)on3)CC[C@@H]2O)c1 257262202 LKONJFMYAOIQAL-SFTDATJTSA-N 426.444 3.534 0 40 IHAB Cc1cc(Nc2cnccn2)cc(C2CCN(C(=O)CN(C)Cc3ccccc3F)CC2)n1 257337268 YSBVBHQJNNSILX-UHFFFAOYSA-N 448.546 3.901 0 40 IHAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@H](CC)c1ccc(OC)c(C)c1 260815409 XMKXUWDLQJEBAV-RTWAWAEBSA-N 448.585 3.824 0 40 IHAB O=C(Nc1cccc(F)c1)c1nnc2n1C[C@@H]1CN(Cc3cccc(Cl)c3)C[C@H]1C2 306137094 QLKXLSXDFOISQZ-CVEARBPZSA-N 425.895 3.627 0 40 IHAB Cc1ccc(NC(=O)CSc2nnc(-c3cc(Br)ccc3O)n2C)cc1 408541672 FDDLLZNVVMSIFX-UHFFFAOYSA-N 433.331 3.989 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1 408610885 UXVPHNCKGQREFU-SECBINFHSA-N 437.732 3.961 0 40 IHAB C[C@H](NC(=O)c1ccc2cc[nH]c2n1)c1ccc(CNC(=O)c2ccc3cc[nH]c3n2)cc1 504854292 UVZSQOJRTQPJCU-HNNXBMFYSA-N 438.491 3.860 0 40 IHAB COC(=O)C[C@H](c1ccsc1)c1oc(CN2CCc3ccccc3C2)cc(=O)c1O 524730217 ZZLZBXYVDCERQI-LJQANCHMSA-N 425.506 3.660 0 40 IHAB biogenic CCOC(=O)[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CN1C(=O)OCc1ccccc1 669369584 BCBIQMHQHLQBRY-IBGZPJMESA-N 446.544 3.978 0 40 IHAB Cc1c(S(=O)(=O)N(C)[C@@H](c2ccccc2)c2ccccc2Br)cnn1C 1213597503 BDQQZRPOQISLPZ-IBGZPJMESA-N 434.359 3.901 0 40 IHAB O=C(NC[C@H](c1ccsc1)c1ccco1)c1ccc(S(=O)(=O)N2CCCC2)cc1 1889021436 PKWUMBORGPWUQZ-LJQANCHMSA-N 430.551 3.688 0 40 IHAB COc1ccc(N(CC(=O)Nc2ccccc2-c2ccccc2)S(C)(=O)=O)c(OC)c1 638195 VCFGAHWZKZZEJL-UHFFFAOYSA-N 440.521 3.776 0 40 IHAB Cc1ccc(C)c(OCC(=O)N[C@@H]2CCCC[C@H]2NC(=O)COc2cc(C)ccc2C)c1 675098 FUGXZDRQTPNBAF-FGZHOGPDSA-N 438.568 3.922 0 40 IHAB CCc1cccc(C)c1NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(C)c2)CC1 813997 YJRHPDXHEYRYHK-UHFFFAOYSA-N 430.570 3.914 0 40 IHAB COc1ccc(-c2noc([C@H]3CCCN(S(=O)(=O)c4ccc(Cl)cc4)C3)n2)cc1 1362646 YQXGBHWECDJYLJ-HNNXBMFYSA-N 433.917 3.967 0 40 IHAB Cc1ccc2cc(CN(CCN3CCOCC3)C(=O)Nc3ccccc3)c(=O)[nH]c2c1C 1378356 PCDKLNVFCMQJFB-UHFFFAOYSA-N 434.540 3.511 0 40 IHAB O=C(c1ccc(F)cc1)N1CCN(c2ncnc3c(-c4ccc(F)cc4)nsc23)CC1 1379890 AVACKVWCBLHPQA-UHFFFAOYSA-N 437.475 3.994 0 40 IHAB CC[C@@H]1CCCCN1C(=O)CSc1nc2c(c(=O)n1-c1ccc(F)cc1)SCC2 2459477 BGAPBUZLYPCUPX-OAHLLOKOSA-N 433.574 3.903 0 40 IHAB COc1ccc(OCC(=O)Oc2ccc(CCN3C(=O)c4ccccc4C3=O)cc2)cc1 2888147 GCUZCAUDOQQSEL-UHFFFAOYSA-N 431.444 3.518 0 40 IHAB COc1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1)C(=O)/C2=C\N1C[C@H](C)O[C@H](C)C1 3205486 BSKYHPVDXNYGRX-GIXNIPRESA-N 426.900 3.986 0 40 IHAB COc1cc2c(c(OC)c1OC)-c1ccc(NC(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 4084031 JOTRMFXMUYKPIU-SFHVURJKSA-N 426.513 3.683 0 40 IHAB biogenic CC(C)Cc1ccc([C@@H](N[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C(C)C)cc1 7875363 LWANCOHYPRCAPK-JTSKRJEESA-N 431.602 3.846 0 40 IHAB CCn1c(=O)c(C)nc2cc(C(=O)Nc3cccc(-c4nnc5n4CCCCC5)c3)ccc21 8862047 UUTSFXLNBKTKFV-UHFFFAOYSA-N 442.523 3.962 0 40 IHAB O=C(c1ccccc1)c1ccc(OCC(=O)N2CCC(c3nnc4ccccn34)CC2)cc1 8924151 AXOLNQIEXHXASE-UHFFFAOYSA-N 440.503 3.745 0 40 IHAB Cc1ccccc1-n1c(S[C@@H](C(=O)NC(N)=O)c2ccccc2)nnc1-c1ccncc1 9126429 ZXBLOTWNBSDIHF-LJQANCHMSA-N 444.520 3.666 0 40 IHAB COc1ccccc1-n1nnnc1SCC(=O)N[C@@H](c1ccccc1)c1cccs1 9663165 DDRYJIQLFBHYHG-FQEVSTJZSA-N 437.550 3.730 0 40 IHAB CCNC(=O)c1cccc(NC(=O)c2ccc(OCC(=O)Nc3cccc(OC)c3)cc2)c1 9664275 LQWSWRMVAPFMMO-UHFFFAOYSA-N 447.491 3.715 0 40 IHAB CNC(=O)[C@H]1CN(C(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)c2ccccc2O1 9726137 DJTVKOCLJZTPSJ-XMMPIXPASA-N 438.487 3.693 0 40 IHAB COc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)N2C2CCCC2)cc1 9933984 XSLKUFCBTMMURL-NRFANRHFSA-N 437.496 3.812 0 40 IHAB COc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(CS(C)(=O)=O)cc3)cc2)cc1 9955300 OXWUDKKLBMPPQQ-UHFFFAOYSA-N 438.505 3.744 0 40 IHAB COCc1c(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)oc2ccccc12 10219417 BGZJZBCINVYHGF-UHFFFAOYSA-N 436.464 3.799 0 40 IHAB CCOc1ccc([C@H]2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2CCCN(C)C)cc1 10233224 BSMIBAVMENUODS-QFIPXVFZSA-N 436.508 3.697 0 40 IHAB CCOc1cc(C(=O)OCC(=O)Nc2ccc(OC)cc2OC)cc(OCC)c1OCC 10750246 SNOBOISFTZHYLZ-UHFFFAOYSA-N 447.484 3.695 0 40 IHAB Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)NCCc1nnc2ccccn12 11915157 ZFXVGGJGUPFFHV-UHFFFAOYSA-N 427.917 3.699 0 40 IHAB C[C@@H](c1nccs1)N1C(=O)c2cccc(N3CCN(C/C=C/c4ccco4)CC3)c2C1=O 12163763 GCNXQCCEMRCMGI-RCFWFJCLSA-N 448.548 3.929 0 40 IHAB COc1ccc(C(=O)C2CCN(C(=O)[C@@H](NC(=O)c3ccccc3F)C(C)C)CC2)cc1 12740229 MPHVXTQRGHIMOB-QFIPXVFZSA-N 440.515 3.710 0 40 IHAB CS(=O)(=O)c1ccc(C(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)cc1 12759062 UNEHAEKLWJEQGM-UHFFFAOYSA-N 445.544 3.932 0 40 IHAB Cc1nn(Cc2ccccc2)c(C)c1CNS(=O)(=O)c1ccc(Br)cc1 12772543 KSTZEALDSPFYSE-UHFFFAOYSA-N 434.359 3.789 0 40 IHAB CCOc1ccc(CN(C)C(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)cc1 12784508 UROAHDAJYIGTLJ-UHFFFAOYSA-N 425.554 3.784 0 40 IHAB C[C@@H](NC(=O)COc1ccc(Br)cc1Cl)c1ccc(-n2cncn2)cc1 12868009 VGAOXJHDBNTMHL-GFCCVEGCSA-N 435.709 3.939 0 40 IHAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1 13149131 RPUZJYMPNBFYKE-UHFFFAOYSA-N 448.500 3.866 0 40 IHAB Cc1ccnc(NC(=O)CCC(=O)N(CC(=O)NC2CCCCC2)Cc2ccccc2)c1 13150908 SAALBLDHZACJKG-UHFFFAOYSA-N 436.556 3.586 0 40 IHAB CCN(CC)C(=O)CSc1nnc([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)o1 13513098 UMJJTGJBXPKDRS-INIZCTEOSA-N 434.562 3.839 0 40 IHAB CCN(CC(=O)Nc1ccc(Cl)cc1Cl)S(=O)(=O)c1cc(F)ccc1OC 13581194 NRRQIMVXEOJCOO-UHFFFAOYSA-N 435.304 3.790 0 40 IHAB CC[C@@H](C(=O)Nc1cccc(C(=O)OC)c1C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716587 YXLFGKGQCOSQCB-FQEVSTJZSA-N 432.542 3.582 0 40 IHAB COc1ccc2cc(CN(C)C(=O)CN3C(=O)[C@@H](C)N(c4ccc(C)cc4)C3=O)ccc2c1 14196987 WJBZJHYSYCSIPL-GOSISDBHSA-N 445.519 3.973 0 40 IHAB O=C(Cn1nc2ccc(SCc3ccc(Cl)cc3)nn2c1=O)Nc1cccc(F)c1 16843101 HPUHFHVCLVHFOC-UHFFFAOYSA-N 443.891 3.615 0 40 IHAB COc1ccc(OC)c(C(=O)O[C@@H](C)C(=O)Nc2ccc(Br)cc2F)c1 17005833 VYJLSUXPTXUEKS-JTQLQIEISA-N 426.238 3.789 0 40 IHAB Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=S)NC(=O)C(C)(C)C)cc2)CC1 17102712 VQVOOQCZUGVHGD-UHFFFAOYSA-N 438.597 3.817 0 40 IHAB O=C(NCCCSc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 18083490 YSFFPIAOUPNLNW-KRWDZBQOSA-N 436.574 3.525 0 40 IHAB COc1ccc(-c2nccnc2[C@H]2CN(C(=O)c3cn4cc(Cl)ccc4n3)CCO2)cc1 19693431 DRCONBQUEYCPRP-LJQANCHMSA-N 449.898 3.667 0 40 IHAB Cc1noc(C)c1CC(=O)N1CCC[C@@H](c2nc(N(C)C)ncc2-c2ccc(F)cc2)C1 19694163 FBXRZXKSATZLKS-GOSISDBHSA-N 437.519 3.902 0 40 IHAB Cc1ccc([C@H]2CCCN2C(=O)c2ccc(=O)n(CC(=O)Nc3nccs3)c2)cc1C 19751169 GOKVXHCFIUJJCE-LJQANCHMSA-N 436.537 3.538 0 40 IHAB CC[C@H](NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O)c1ccc(OC)cc1 20450956 VRLWVWMAPWWIMF-SFHVURJKSA-N 444.475 3.748 0 40 IHAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 20491337 UAWDAUBOGUGFSP-NRFANRHFSA-N 425.510 3.987 0 40 IHAB Cc1nc(S[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)n(C[C@H]2CCCO2)c1C 21568803 HUVRAAMBJVQZGS-WIYYLYMNSA-N 444.601 3.635 0 40 IHAB COc1ccc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)c(OC)c2)c(OC)c1 21595229 SNBMBUXZJQKIAS-UHFFFAOYSA-N 442.493 3.592 0 40 IHAB O=C(c1cn2c3c(cccc3c1=O)CCC2)N1CCN(c2cccc(C(F)(F)F)c2)CC1 22235548 VXEJVSSGOFGDGZ-UHFFFAOYSA-N 441.453 3.929 0 40 IHAB CCOc1ccc2nc(NC(=O)CSc3nnc(N4CCCC4)n3C3CC3)sc2c1 22285915 XYFARLBIMHAPNV-UHFFFAOYSA-N 444.586 3.952 0 40 IHAB CN(C(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)[C@H]1CCCc2ccccc21 23151302 OCGJDCAGBGQSRC-NRFANRHFSA-N 430.545 3.762 0 40 IHAB C[C@H](OC(=O)c1ccc(Cl)c(N2CCCC2=O)c1)C(=O)N1CCCc2ccccc21 26412984 JTRWOYVYTLFPJX-HNNXBMFYSA-N 426.900 3.992 0 40 IHAB COC(=O)c1[nH]nc2ccc(NS(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)cc12 26542758 OKDSMTUWYRWJBT-UHFFFAOYSA-N 433.795 3.823 0 40 IHAB COc1cccc(CSc2nnc(Nc3ccc4c(c3)OCO4)c(=O)n2-n2cccc2)c1 28534974 IHQXICXEXMYDQC-UHFFFAOYSA-N 449.492 3.524 0 40 IHAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C)cc2)cc1C(=O)N1CCC(C)CC1 30751816 NOZWMNDSOVRAJB-UHFFFAOYSA-N 430.570 3.696 0 40 IHAB CC(=O)Nc1ccc2nc(NC(=S)NC(=O)c3cccc(Br)c3)oc2c1 32127666 ACJPKXLNUBMICA-UHFFFAOYSA-N 433.287 3.676 0 40 IHAB O=S1(=O)C[C@H]2N=C(SCc3ccc(Br)cc3)N(c3ccccc3)[C@@H]2C1 32640839 GSUFPEYLZUGORW-IAGOWNOFSA-N 437.384 3.724 0 40 IHAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1cc(Cl)nc2ccccc12 32666243 BGFMAKKSZLWJFN-UHFFFAOYSA-N 425.872 3.760 0 40 IHAB O=C(CCc1nnc(-c2ccccc2)o1)N1CCN(Cc2c(F)cccc2Cl)CC1 32747557 RXKHQNOFJCDKTN-UHFFFAOYSA-N 428.895 3.806 0 40 IHAB CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(N)c(SC)c2)sc(CC)c1C 32854456 HNOFNSCUDZWNRJ-UHFFFAOYSA-N 436.555 3.895 0 40 IHAB Cc1noc2nc(-c3ccccc3C(F)(F)F)cc(C(=O)NCc3nnc4n3CCC4)c12 40037567 RMYBQRFLIZHSCF-UHFFFAOYSA-N 442.401 3.685 0 40 IHAB CC[C@H]1CCCCN1C(=O)[C@@H](C)S(=O)(=O)Cc1cc(Cl)c2c(c1)OCCCO2 40106124 IVAITIQKTPHRAS-ZBFHGGJFSA-N 429.966 3.596 0 40 IHAB CN(Cc1ccc(Cl)cc1)C(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 44880751 XGCCXOWFYIQJEV-UHFFFAOYSA-N 438.952 3.680 0 40 IHAB Cc1cc(N(CC(=O)N[C@@H](C)c2ccc(F)cc2)S(C)(=O)=O)ccc1Br 44899955 LOCRSCHHTLFLFO-ZDUSSCGKSA-N 443.338 3.540 0 40 IHAB CC(C)(CN1C(=O)[C@@H](Oc2ccccc2F)[C@@H]1c1cc(F)ccc1F)N1CCOCC1 48235804 TZAAKXZSNYLUQE-SFTDATJTSA-N 434.458 3.546 0 40 IHAB C[C@H]1C[C@@H](C)CN(Cc2ccc(CNC(=O)c3cccc(CS(C)(=O)=O)c3)cc2)C1 57586881 AWMIBCHHVNWZIZ-KDURUIRLSA-N 428.598 3.639 0 40 IHAB COCCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3ccc(F)cc3C)c2c1=O 65113591 BCAYVUYAADXFOJ-UHFFFAOYSA-N 434.471 3.598 0 40 IHAB CCCc1c(C(=O)N[C@@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)[nH]c(C)c1C(C)=O 71944639 XWKSNBWCBNMSCX-HNNXBMFYSA-N 447.601 4.000 0 40 IHAB COc1ccc(NC(=O)CN2CCC[C@H](c3nc(N)ncc3-c3ccc(OC)cc3)C2)cc1 72345935 SFWLIMPSYGWIFN-SFHVURJKSA-N 447.539 3.561 0 40 IHAB COc1cc2oc(=O)cc(C)c2cc1CCC(=O)NCCn1ccc2c(OC)cccc21 79188686 FUDMQAUPKKPJKR-UHFFFAOYSA-N 434.492 3.822 0 40 IHAB biogenic COc1cc(C(=O)N(Cc2ccccc2)c2ccncc2)ccc1OCC(=O)NC(C)C 95457252 NEFSGUJYYWSDRO-UHFFFAOYSA-N 433.508 3.841 0 40 IHAB CCN(CCC1CCN(C(=O)[C@H](c2ccccc2F)N2CCOCC2)CC1)CC1CC1 95458124 NXHKYOYSNOWUOE-DEOSSOPVSA-N 431.596 3.560 0 40 IHAB Cc1cc(C)c(/C=C/S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c(C)c1 96137151 SYWAQAPQFJUURG-JLHYYAGUSA-N 434.583 3.809 0 40 IHAB COc1cccc(C(=O)N2CCC3(CC2)C[C@@H](CC(=O)NC2CC2)c2ccccc2O3)c1 96243212 DBOGYWYBUCAUAE-LJQANCHMSA-N 434.536 3.905 0 40 IHAB COc1cc(CN2C[C@@H]3CCC[C@@H](C2)C3(O)c2nccn2C)ccc1OC1CCCC1 100150101 GXDDUQLLUBJEHR-PMACEKPBSA-N 425.573 3.870 0 40 IHAB CO[C@H]1CC[C@H](C(=O)NC2CCN(c3ncc(-c4cc(C)no4)c(C4CC4)n3)CC2)CC1 100218843 XRIXZGWVUMCWOP-IZAXUBKRSA-N 439.560 3.608 0 40 IHAB CCC(=O)N1CCc2c(nc3cc([C@H]4CCCCN4Cc4csc(C)c4)nn3c2O)C1 100234136 ACCMGFREOHMOQI-HXUWFJFHSA-N 439.585 3.827 0 40 IHAB Cc1ccc(C(=O)[C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@H]3c4ccccc4C=NN23)cc1 100689639 MZGVLPUBHKJFOJ-XQUALCHDSA-N 435.483 3.757 0 40 IHAB C[C@@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3CC4)c2C(=O)NC2CC2)C1 102340190 IEZGPMAEFGGQJC-VQOQZMAISA-N 428.554 3.617 0 40 IHAB CCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@H](C(=O)Nc1ccc(Cl)cc1)N1c3ccccc3C=C[C@H]21 102800430 WZBOSIJWIIQYLD-GXRSIYKFSA-N 449.938 3.964 0 40 IHAB CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2)=N[C@H]1c1ccc(OC)cc1 103828314 QYHOUCRIKHKDDL-NRFANRHFSA-N 439.537 3.905 0 40 IHAB COc1ccc(NC(=O)CN(c2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)cc1 107997818 IVNYIWUHPBAGJG-UHFFFAOYSA-N 440.521 3.679 0 40 IHAB CC(C)CNC(=O)COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 108217399 FLBYYSBOBZCWBX-UHFFFAOYSA-N 431.341 3.945 0 40 IHAB CCc1ccc([C@H](C)NC(=O)CN2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1 195529363 LHKGYABLQQHGOD-QFBILLFUSA-N 428.964 3.825 0 40 IHAB CCc1ccc(N([C@H](C)C(=O)Nc2ccccc2C(=O)N[C@@H](C)CC)S(C)(=O)=O)cc1 220274491 FXCFYLGTDKWQKR-DLBZAZTESA-N 445.585 3.571 0 40 IHAB COc1ccc(-c2noc(CNC(=O)[C@H]3CCCN(Cc4ccccc4Cl)C3)n2)cc1 222595999 HWHVJJIWYIOPAH-SFHVURJKSA-N 440.931 3.927 0 40 IHAB Cc1ccccc1CSCCNC(=O)CCCN(c1ccccc1F)S(C)(=O)=O 222654500 OBELEARJGJOSMN-UHFFFAOYSA-N 438.590 3.730 0 40 IHAB CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)COc1ccc(Br)c(C)c1 223490130 UJXGZEAKBIUVOC-HXUWFJFHSA-N 447.373 3.732 0 40 IHAB COc1cc(OC)cc(OCC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NC(C)C)c1 224635026 QCOBNQXPINJANX-MRXNPFEDSA-N 448.947 3.678 0 40 IHAB Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)S(C)(=O)=O)cc1C 224867682 IVORWLQTFMPWOH-AWEZNQCLSA-N 430.448 3.995 0 40 IHAB CN(c1cc(C(=O)N2CCc3cc(Br)ccc32)ccc1Cl)S(C)(=O)=O 225971403 WXKOUZDVRWVMTF-UHFFFAOYSA-N 443.750 3.701 0 40 IHAB COc1ccc2c(CN3CCO[C@@H](c4cccc(Nc5ncccn5)n4)C3)cn(C)c2c1 257290851 QEPMHXUWHYBKFC-JOCHJYFZSA-N 430.512 3.689 0 40 IHAB COc1cccc(Nc2cc(C)nc([C@@H]3CCN(C(=O)CCCN4CCCC4=O)C3)c2)c1 257296730 REDSHVOYANEFLB-LJQANCHMSA-N 436.556 3.861 0 40 IHAB COCCOc1cc(CN(C)C[C@@H](O)Cn2c(C)c(C)c3ccccc32)ccc1OC 257297274 RGOISZMBASPTDA-OAQYLSRUSA-N 426.557 3.785 0 40 IHAB O=C(CN1CCC(c2cccc(Nc3cnccn3)n2)CC1)N1CCCc2ccccc21 257313374 USCVIDWQWIQREI-UHFFFAOYSA-N 428.540 3.774 0 40 IHAB Cc1nc2c(c(Nc3ccccn3)n1)CCN(CC(=O)N(C(C)C)C1CCCCC1)CC2 257327013 WZMYONJDULDDCX-UHFFFAOYSA-N 436.604 3.894 0 40 IHAB CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 408557851 HWPXRQFVACVRBD-UHFFFAOYSA-N 440.924 3.917 0 40 IHAB COc1ccc(CN(C)S(=O)(=O)c2ccc(NC(=O)N3CCCCCC3)cc2)cc1 408592828 OUZDUIYXQRVHER-UHFFFAOYSA-N 431.558 3.924 0 40 IHAB COc1ccccc1/C=[N+]1\NC(=O)[C@H](NC(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Cl)cc1 409059049 QQLKESJOFZBTMK-WSBKAMHLSA-O 448.930 3.673 0 40 IHAB CCOc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@@H]3C)C2=O)cc1OCC 409210086 DNLPNLTWGCOFAW-CCNLRRDASA-N 432.542 3.921 0 40 IHAB Cc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3ccccc3C(C)C)n2C)cc1 409339573 WKNJPNGGXLGJNZ-UHFFFAOYSA-N 437.569 3.908 0 40 IHAB Cc1c(C(=O)N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)nnn1-c1ccccc1Cl 552681774 NETAMWLXTBYHIC-DEOSSOPVSA-N 435.959 3.967 0 40 IHAB O=C(Nc1ccc2nccnc2c1)[C@@H]1CN(C(=O)c2ccccc2-c2ccccc2)CCO1 585261748 FTOXIOGQMHHOLS-DEOSSOPVSA-N 438.487 3.777 0 40 IHAB CCn1cc(C(=O)N2CCC3(CCCCCOc4ccccc4C(=O)NC3)CC2)c(C)n1 643558686 UBHQBQVDKUHWGJ-UHFFFAOYSA-N 438.572 3.817 0 40 IHAB COc1ccc([C@H]2CN(C(C)=O)CCN2C(=O)C2(c3ccc(OC)cc3)CCCC2)cc1 1848352699 TVHVSIDUBSXIIQ-XMMPIXPASA-N 436.552 3.948 0 40 IHAB COc1ccc(OC)c2sc(N3CCC(C(=O)N4CCC(F)(F)CC4)CC3)nc12 1889149091 AGKGSPFKONASKJ-UHFFFAOYSA-N 425.501 3.788 0 40 IHAB Cc1ccc(C)c2[nH]c(=O)c(CN(C[C@@H]3CCCO3)S(=O)(=O)c3ccc(F)cc3)cc12 1221762 ZJLRTWUAAIQHAK-IBGZPJMESA-N 444.528 3.654 0 40 IHAB CCOC(=O)CC(=O)CSc1nnc(-c2cc(-c3ccccc3)sc2N)n1CC 2181092 DHYFIHDRRONZQQ-UHFFFAOYSA-N 430.555 3.890 0 40 IHAB NC(=O)c1c(N[C@H](NC(=O)c2ccccc2)C(=O)c2cccs2)sc2c1CCCC2 2703742 LYYTXJGRHDWGIG-FQEVSTJZSA-N 439.562 3.838 0 40 IHAB Cc1cccc(C)c1N1C(=O)[C@@H]2[C@@H](N=NN2CC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O 2786935 CJBHGYLPCXQRCN-AEFFLSMTSA-N 446.294 3.542 0 40 IHAB COc1cc(C(=O)OCC(=O)Nc2ccccc2Br)cc(Cl)c1OC 3381473 RECYUIPTFHFZPF-UHFFFAOYSA-N 428.666 3.915 0 40 IHAB CC(C)[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1)C(=O)NC(N)=O 3386461 AKTMZDVWBRIIMP-QGZVFWFLSA-N 443.960 3.958 0 40 IHAB CC(=O)OCC(=O)[C@]1(OC(C)=O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]21C 4145686 IASNEQDWRXBECK-MRKDMUIPSA-N 430.541 3.952 0 40 IHAB biogenic C[C@@]1(C(=O)c2ccccc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN21 4542980 CBDNGZBGXXDVRS-TZKYFUQOSA-N 435.483 3.838 0 40 IHAB COc1ccc(CCNC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2C)cc1 6146618 XHBWOYBJSHWOMF-UHFFFAOYSA-N 442.512 3.916 0 40 IHAB COCCNC(=S)N(Cc1ccc(OC)cc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O 6410231 SNFLTZJGYUILGH-UHFFFAOYSA-N 439.581 3.677 0 40 IHAB O=C(CCN1C(=O)c2cccc3cccc(c23)C1=O)Nc1nnc(-c2ccccc2)s1 8399794 JKCOARFCDZCCOE-UHFFFAOYSA-N 428.473 3.983 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cc1c[nH]c2ccccc12 8692724 HGSZOZKYRBIVEN-UHFFFAOYSA-N 427.526 3.532 0 40 IHAB aggregator O=C(CN(Cc1ccco1)S(=O)(=O)/C=C/c1ccccc1)NCc1ccc(F)cc1 8757060 OZWPXQLLSZTSBC-WYMLVPIESA-N 428.485 3.538 0 40 IHAB COc1ccc(C)c2sc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)nc12 8897745 SGDZFZMHKBLEQV-HNNXBMFYSA-N 449.529 3.544 0 40 IHAB Cc1ccc(CN(C(=O)c2cc(=O)c3cc(C)cc(C)c3o2)[C@H]2CCS(=O)(=O)C2)cc1 8915263 FVJNKLQGLOYVMB-IBGZPJMESA-N 439.533 3.548 0 40 IHAB COC(=O)c1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(C)cc2)cc1 9013923 UDKRJFRXIJSHJX-UHFFFAOYSA-N 433.493 3.641 0 40 IHAB COc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1S(=O)(=O)NCc1ccccc1 9094974 DANJKMLHXVQFCS-UHFFFAOYSA-N 438.505 3.629 0 40 IHAB COc1ccc(C(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccccc4C)C3)s2)c(OC)c1 9197991 IVWLGBYBFVKFKP-CQSZACIVSA-N 438.509 3.637 0 40 IHAB CCc1ccccc1NC(=O)CSc1nnc(-c2cc(-c3ccc(C)cc3)n[nH]2)n1N 9449629 ORRZUONHFHXLDF-UHFFFAOYSA-N 433.541 3.651 0 40 IHAB Cc1cccc(NC(=O)NC(=O)CN2C(=O)N[C@](C)(c3cccc4ccccc34)C2=O)c1C 9478156 QDAQQSDFUMRPBA-RUZDIDTESA-N 444.491 3.572 0 40 IHAB COc1ccc(NC(=O)CN(C)CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 9491455 XQKXOFUDYXWOLU-UHFFFAOYSA-N 429.826 3.876 0 40 IHAB O=C1NCCc2c(OCC(=O)N3N=C(c4cccs4)C[C@@H]3c3ccc(F)cc3)cccc21 9743405 VLTBGRZMHIKUOV-HXUWFJFHSA-N 449.507 3.930 0 40 IHAB CCS(=O)(=O)c1ccc2oc(SCc3nc4sc5c(c4c(=O)[nH]3)CCC5)nc2c1 9767168 OGMDUTUUECMXEZ-UHFFFAOYSA-N 447.563 3.700 0 40 IHAB CN(Cc1ccc2ccccc2c1)C(=O)c1ccc(NC(=O)CSc2nncn2C)cc1 9783467 FYCMXXWKJSVJJB-UHFFFAOYSA-N 445.548 3.971 0 40 IHAB COc1cccc(NC(=O)Cn2cc(OC)c(=O)cc2CSc2ccc(F)cc2)c1 9816116 LYWMBDHDJFFFIC-UHFFFAOYSA-N 428.485 3.936 0 40 IHAB O=C(Cc1csc(NS(=O)(=O)c2ccc(Cl)cc2)n1)NCc1cccs1 9828514 CQVPFTJLCFFOGW-UHFFFAOYSA-N 427.960 3.518 0 40 IHAB Cc1c(Cl)cccc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(Br)cc1 10127257 SWMIVGRCKPHCQK-NSHDSACASA-N 431.739 3.716 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c(C)c1 10447265 OYGFMZIUKYUAGM-UHFFFAOYSA-N 446.569 3.874 0 40 IHAB CCOc1ccccc1N(CC(=O)NCc1cccc(C)c1)S(=O)(=O)c1ccccc1 10447614 LPVICSFVVVSKCN-UHFFFAOYSA-N 438.549 3.905 0 40 IHAB CC1CCN(c2nnc(SCC(=O)N[C@H]3CCCC[C@@H]3C)n2Cc2ccco2)CC1 11374050 AEPXPYMHCCPGDD-HKUYNNGSSA-N 431.606 3.943 0 40 IHAB CCCCCOc1ccc(S(=O)(=O)N2CCN(C(=O)OCC)CC2)cc1C(C)C 11565923 BXRTWAHEJJQHMN-UHFFFAOYSA-N 426.579 3.842 0 40 IHAB CCCNC(=O)CSc1nc(-c2ccccc2)[nH]c1S(=O)(=O)c1ccc(C)cc1 11695905 NLLCNCRIAXYJAP-UHFFFAOYSA-N 429.567 3.836 0 40 IHAB Clc1ccc(CSc2nnc(N3CCOCC3)n2C[C@@H]2CCCO2)c(Cl)c1 11762232 QNVZIBZJHKXIHE-HNNXBMFYSA-N 429.373 3.893 0 40 IHAB CC(=O)NCc1ccc(-c2csc(NC(=O)Cc3csc(-c4ccccn4)n3)n2)o1 12052507 VGFCRUBHQHSOEZ-UHFFFAOYSA-N 439.522 3.739 0 40 IHAB CC(=O)c1ccc(NC(=O)CSc2nnc(NC(=O)c3ccccc3F)s2)cc1 12180605 YKNWNLPRNORELM-UHFFFAOYSA-N 430.486 3.863 0 40 IHAB Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CCN(C(=O)COc3ccccc3F)CC1)N2 12181474 QEHHFGJKMJFZDW-FUHWJXTLSA-N 440.441 3.936 0 40 IHAB COc1ccc(C2(O)C[C@@H]3CC[C@H](C2)N3Cc2nc(-c3cccnc3Cl)no2)cc1 12233621 AKLMGYXILIXERY-XVQYUUQNSA-N 426.904 3.808 0 40 IHAB CCCCc1cc(=O)oc2cc(OCC(=O)NC[C@@H]3CCCN4CCCC[C@H]34)ccc12 12296855 VURQDAYVZPVYMN-SIKLNZKXSA-N 426.557 3.895 0 40 IHAB biogenic Cc1ccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1S(=O)(=O)N1CCOCC1 12462406 GZBTXNHMDNQCEB-UHFFFAOYSA-N 432.586 3.561 0 40 IHAB O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)N1CCN(Cc2ccccc2)CC1 12567921 RWJGKDQWHIIYJA-UHFFFAOYSA-N 433.581 3.581 0 40 IHAB CCOc1ccc(NC(=O)/C=C/c2ccc(OC)cc2)cc1S(=O)(=O)N1CCCC1 12798760 QRSXBIJMYXOZFW-MDWZMJQESA-N 430.526 3.530 0 40 IHAB COc1ccc2c(C)c(CCC(=O)N3CCc4cc(OC)c(OC)cc4C3)c(=O)oc2c1 12902395 PHAHQPQJXCESFR-UHFFFAOYSA-N 437.492 3.645 0 40 IHAB biogenic CCOc1ccc(N2C[C@@H](C(=O)O[C@H](C)C(=O)Nc3ccccc3SC)CC2=O)cc1 12915378 AFGOPEWZGLLURE-CVEARBPZSA-N 442.537 3.731 0 40 IHAB CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)Cc1c(Cl)cccc1Cl 12995452 ZHGJYYOYZKAIOF-UHFFFAOYSA-N 427.353 3.766 0 40 IHAB COc1ccc(NC(C)=O)cc1NC(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1 14095339 BZODWMFJOVJBIQ-UHFFFAOYSA-N 437.525 3.843 0 40 IHAB Cn1c(SC[C@@H](O)COCc2ccccc2Cl)nc2sc3c(c2c1=O)CCC3 14250999 RICDFPWOIMCXJN-ZDUSSCGKSA-N 436.986 3.807 0 40 IHAB Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@@H]1CCCN(C(=O)c3ccc(CN(C)C)cc3)C1)N2 19128200 TYYZTPDXPRVJFY-HSALFYBXSA-N 431.531 3.796 0 40 IHAB Cc1cc(-c2cnc(N(C)C)nc2[C@@H]2CCCN2C(=O)COc2c(C)cccc2C)on1 19236044 KYPRVDYQYAUYST-IBGZPJMESA-N 435.528 3.865 0 40 IHAB Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)COc2ccccc2)cc(N(C)C)n1 19240863 YQNZBGOLHUBJFY-JOCHJYFZSA-N 429.524 3.811 0 40 IHAB CCNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)c2c(C)noc2C)C1 19528570 ZUANCHZCQDRRMS-AREMUKBSSA-N 446.551 3.955 0 40 IHAB COc1c(CN2CC[C@@](Cc3ccc(-c4ccccc4)cc3)(C(=O)N(C)C)C2)c(C)nn1C 19577922 RHSYSZFZCMRXOI-MHZLTWQESA-N 446.595 3.927 0 40 IHAB COc1cccc(CN2CCN(C)C(=O)[C@H](Cc3ccccc3-c3ccncc3)C2)c1OC 19589690 JXYLPQXRZOCAHM-HSZRJFAPSA-N 445.563 3.899 0 40 IHAB CN1CCN(c2ccc(C(=O)NC3CCC4(CC3)CC(=O)c3ccccc3O4)cc2)CC1 19590096 JHOATRUBGYFSTB-UHFFFAOYSA-N 433.552 3.515 0 40 IHAB CNC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CCN(C(=O)Cc2ccc(F)cc2)C1 19591471 IBSYBEIPNQTDQH-SANMLTNESA-N 431.511 3.638 0 40 IHAB COCCNC(=O)c1sc2ncccc2c1[C@H]1CCN(C(=O)Cc2cccc(C)c2)C1 19701965 ORLNIRUVUBRZHR-SFHVURJKSA-N 437.565 3.540 0 40 IHAB Cc1ccc(Cn2c(=O)c3cccnc3n(Cc3cccc(C(F)(F)F)c3)c2=O)cc1 20356836 BWWHUYVAZAIINX-UHFFFAOYSA-N 425.410 3.982 0 40 IHAB COc1ccc(NC(=O)CCC(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)c(OC)c1 20737583 NKGNMCCVWPLVJV-UHFFFAOYSA-N 425.460 3.628 0 40 IHAB Cc1ccc(C)c(NC(=O)[C@@H](OC(=O)c2cccc(-n3cnnn3)c2)c2ccccc2)c1 21229995 MOCSOQSRIJUUHR-QFIPXVFZSA-N 427.464 3.816 0 40 IHAB CCN(c1cc(OC)c(OC)cc1C(=O)Nc1ccc(F)c(Cl)c1)S(C)(=O)=O 22251996 QGJUUQLHWIDGLU-UHFFFAOYSA-N 430.885 3.535 0 40 IHAB CS(=O)(=O)N(CC(=O)NCCCc1ccc(F)cc1)c1cc(Cl)ccc1Cl 22361837 CHZFWHKAIOZSBU-UHFFFAOYSA-N 433.332 3.648 0 40 IHAB COc1ccc(OCCN2CCN([C@@H](C)c3nnc(-c4ccc(F)cc4)o3)CC2)cc1 22787305 MMTKMFJMTJHDRN-KRWDZBQOSA-N 426.492 3.642 0 40 IHAB COc1ccc(NC(=O)[C@H](C)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc1 22933266 CIZHAACPPKNFMQ-SFHVURJKSA-N 436.581 3.964 0 40 IHAB CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccccc1S(C)(=O)=O 23080709 RGJFLZQBZVCGGL-UHFFFAOYSA-N 433.917 3.846 0 40 IHAB Cc1cccc(C)c1NC(=O)CNc1nc(CN2CCOCC2)nc2sc(C)c(C)c12 23994629 PZADDBLZKKHFOW-UHFFFAOYSA-N 439.585 3.808 0 40 IHAB Cc1noc2nc(-c3ccco3)cc(C(=O)N3CSC[C@H]3C(=O)NCc3ccccc3)c12 24663987 KTDGSWRKHOAAQN-SFHVURJKSA-N 448.504 3.623 0 40 IHAB CC(=O)Nc1ccc(CC(=O)Nc2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)cc1 25247920 FRRCGOWOESOYFJ-UHFFFAOYSA-N 430.530 3.576 0 40 IHAB O[C@]1(c2ccc(Br)cc2)CN(c2ccc3c(c2)OCCO3)C2=[N+]1CCCCC2 27525313 YXQYEJQXNGBYGU-QFIPXVFZSA-N 444.349 3.871 0 40 IHAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)cc2)n1 27970518 NPFBJQVZRGTTDF-UHFFFAOYSA-N 440.550 3.814 0 40 IHAB O=C(Nc1c(F)cc(Br)cc1Br)c1cnc2sccn2c1=O 28223113 YDBAVWQSTDALAU-UHFFFAOYSA-N 447.083 3.672 0 40 IHAB CC(C)(C)c1ccc([C@@H](CNC(=O)c2cc(=O)c3ccccc3o2)N2CCOCC2)cc1 28291707 SXGLIDYBTNTQOF-OAQYLSRUSA-N 434.536 3.894 0 40 IHAB O=C(CN1CCC[C@@H]1C(=O)NCc1ccco1)Nc1ccc(Cl)cc1C(F)(F)F 31557531 NNENVFRIPHWATQ-MRXNPFEDSA-N 429.826 3.671 0 40 IHAB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=S)NC(=O)c1ccc2c(c1)OCO2 32126582 XQSMBIIPAYKBFQ-UHFFFAOYSA-N 449.467 3.724 0 40 IHAB Cc1ccc(C(=O)O[C@@H](C)C(=O)c2ccc3c(c2)NC(=O)CO3)cc1NC(=O)c1ccco1 32958302 DPUKYEXFXKPJAQ-AWEZNQCLSA-N 448.431 3.599 0 40 IHAB COc1ccc(OC)c(CNC(=O)C2CCN(c3ncnc4c3oc3ccccc34)CC2)c1 33290426 YTHOPLMXABTHGC-UHFFFAOYSA-N 446.507 3.926 0 40 IHAB CCOC(=O)C1=C(CN2CCCc3cc(F)cc(F)c32)NC(=O)N[C@H]1c1ccccc1 36754251 MDMKFNKQMPWEIM-FQEVSTJZSA-N 427.451 3.589 0 40 IHAB Cc1cccn2c(=O)cc(CSc3nnc(NC(=O)Nc4ccc(F)cc4)s3)nc12 41086130 IOOMJOGQESEHLO-UHFFFAOYSA-N 442.501 3.930 0 40 IHAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc4c(c3)C(=O)N3CCCC[C@@H]3CCO4)CC2=O)cc1 49030381 VZGZZJNGJVZKGQ-AZUAARDMSA-N 447.535 3.764 0 40 IHAB O=C(Cc1cn2ccsc2n1)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 57373497 ZMVRZSPTVGHWJP-UHFFFAOYSA-N 431.565 3.899 0 40 IHAB COc1ccccc1NC(=O)Cn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2sccc21 57491704 VFSDWZGXNRLUSF-UHFFFAOYSA-N 441.896 3.515 0 40 IHAB C[C@H](OC(=O)c1cccc(-n2cc(Br)cn2)c1)C(=O)N(C)c1ccccc1 58014175 POQCDXWWAYNFKP-AWEZNQCLSA-N 428.286 3.843 0 40 IHAB C[C@@H](OC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)C(=O)c1c[nH]c2ccccc12 58017444 QREZDNDUAFXPEP-IERDGZPVSA-N 440.521 3.526 0 40 IHAB NC(=O)[C@H]1CCCN(c2ccc(C(=O)N3CCC[C@H](c4nc5ccccc5o4)C3)cc2)C1 58141798 BGUKNPNAICKVRS-OALUTQOASA-N 432.524 3.549 0 40 IHAB CCOc1c(Br)cc(/C=C/C(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1OC 62714730 QKUXTAKCXCLVSP-FVNWOWOISA-N 448.313 3.682 0 40 IHAB CCc1cccc(C)c1NC(=O)CN1C(=O)N[C@H](c2cc(C)ccc2C)C2=C1COC2=O 67288792 FGHRBPFAOZHRED-HSZRJFAPSA-N 433.508 3.690 0 40 IHAB CC(C)N1C(=O)[C@@]2(CC(O)=Nc3c2c(=O)[nH]n3C(C)C)c2cc(Br)ccc21 71279354 IZVAIEZUKJOIDO-IBGZPJMESA-N 433.306 3.553 0 40 IHAB CC(C)N1CC[C@H](CCc2ccc(NC(=O)C3CCN(S(C)(=O)=O)CC3)cc2)[C@@H](C)C1 72335292 UHZMWAUFEWHHNR-FPOVZHCZSA-N 449.661 3.596 0 40 IHAB O=C(c1ccccc1)c1cccc(NC(=O)N2CCN(Cc3nccn3C(F)F)CC2)c1 79068012 LLWABUWUWNQAAW-UHFFFAOYSA-N 439.466 3.859 0 40 IHAB O=C(CCC(=O)N1CCC(c2ccccc2)=N1)NCc1cccc(NC(=O)C2CCCC2)c1 84525271 NSZNATQBHZPKAR-UHFFFAOYSA-N 446.551 3.848 0 40 IHAB CC1CCN(c2ccc3c(-c4ncc(C(=O)N5CCCN(C)CC5)s4)noc3c2)CC1 96154578 FKAFGCAECAMMLL-UHFFFAOYSA-N 439.585 3.965 0 40 IHAB O=C(CN1C(=O)CC(c2ccccc2)=Nc2ccccc21)Nc1ccc2c(c1)OCCO2 102529252 HEIPELUEKPAXKJ-UHFFFAOYSA-N 427.460 3.954 0 40 IHAB COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccc(OC)cc2)cc1 102690848 FBYKKEJUYQCEDB-XPWALMASSA-N 448.450 3.894 0 40 IHAB Cc1ccc(Cl)cc1NC(=O)CSC(=S)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 113481144 GAWXOOSDAWRQEC-GJZGRUSLSA-N 448.013 3.886 0 40 IHAB CCS(=O)(=O)N1C[C@@H](C(=O)N[C@@H](CC(C)C)c2ccc(OC)cc2)Oc2ccccc21 216332418 HJWZZTIDQIAEJF-UGKGYDQZSA-N 446.569 3.516 0 40 IHAB CCOc1ccc(CNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1OCC 219983126 DWEDREINUUHPBS-UHFFFAOYSA-N 446.569 3.589 0 40 IHAB Cc1c(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cccc1N(C)S(C)(=O)=O 222432262 KPKNOICJWVNCTN-UHFFFAOYSA-N 443.569 3.706 0 40 IHAB Cc1cc(S(=O)(=O)NC2CC2)ccc1OCC(=O)Nc1c(Cl)cccc1Cl 223054177 JBMDNNIWEMYXOQ-UHFFFAOYSA-N 429.325 3.760 0 40 IHAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1OC 223630633 LFYCWSDKXRNORV-HXUWFJFHSA-N 442.556 3.805 0 40 IHAB Cc1cccc(OCCNC(=O)[C@@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c1 224014489 TUDJUIPQBOFSDE-CQSZACIVSA-N 445.368 3.652 0 40 IHAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-n1cnnc1 224392508 BYQUPWOEYJIYPW-NHCUHLMSSA-N 433.516 3.719 0 40 IHAB CC[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1)c1ccc(OC)cc1 225521709 XTPFEWCGOBVSFU-DENIHFKCSA-N 430.570 3.672 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C)c2)Cc2ccc(F)cc2)cc1 226027369 YOOYELIHOLMYHI-UHFFFAOYSA-N 440.540 3.950 0 40 IHAB Cc1cc(Nc2cc(CC3CCN(C(=O)c4c(F)cccc4F)CC3)nc(C)n2)[nH]n1 257229131 FWTXWTTYROAMCE-UHFFFAOYSA-N 426.471 3.933 0 40 IHAB CCc1nccn1-c1cccc([C@H]2CCCN2C(=O)CC2CCN(c3ncccn3)CC2)n1 257236046 HAORZNAPVQTKGU-OAQYLSRUSA-N 445.571 3.590 0 40 IHAB CC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N(C)C(=O)CCc2ccccc2F)CC1 257306931 SWPRTKXMJZJMKW-DGWZTRNLSA-N 440.559 3.594 0 40 IHAB O=C(c1cccc2ncccc12)N1CCC[C@]2(CC1)CN(c1ccc(F)cc1)C(=O)CO2 257321682 WCSLEKBKJIINBB-VWLOTQADSA-N 433.483 3.802 0 40 IHAB COc1ccc([C@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)cc(C)cc3C)C2)cc1 260619508 NDNQHKGFZAUADP-FPOVZHCZSA-N 444.597 3.899 0 40 IHAB Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)Nc1c(F)cccc1F 408530346 KLENSTYSSQRLBT-UHFFFAOYSA-N 446.475 3.769 0 40 IHAB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1cccs1 408652508 OVSPIOUTVCLATP-HOTGVXAUSA-N 428.897 3.593 0 40 IHAB O=C(CN1CCN(c2cccc(Cl)c2)C1=O)N1CCC[C@H](Oc2ccncc2Cl)C1 585336997 OYHVEMDCGLJCDQ-KRWDZBQOSA-N 449.338 3.700 0 40 IHAB COc1ccc(C(=O)[C@H](NCCc2c[nH]c3ccccc23)c2oc(C)cc(=O)c2O)cc1 1547139677 XOUKFZUPGGGVGJ-QFIPXVFZSA-N 432.476 3.900 0 40 IHAB biogenic COc1cc(OC)c(OC)cc1CN1CCO[C@]2(CCCCN(c3ccccc3)C2=O)C1 2037983766 FALGIEYBIDYRID-RUZDIDTESA-N 440.540 3.501 0 40 IHAB COc1cccc([C@@H]2c3cc(OC)c(OC)c(OC)c3CCN2C(=O)C(F)(F)F)c1 692266 NPOCMNYZPUXYBS-QGZVFWFLSA-N 425.403 3.757 0 40 IHAB COc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)cc1 800467 UDDMIKBJNPVKNL-GFCCVEGCSA-N 437.279 3.537 0 40 IHAB Cc1cc(I)ccc1NC(=O)[C@H](C)NC(=O)OCc1ccccc1 1060716 JUNSHDDNSHAINE-ZDUSSCGKSA-N 438.265 3.853 0 40 IHAB Cc1cc2c(c(=O)o1)[C@@H](c1ccc(Cl)cc1)C(S(=O)(=O)c1ccccc1)=C(N)O2 1402111 NLCGMDXGTBWFJT-QGZVFWFLSA-N 429.881 3.728 0 40 IHAB O=C(O)C12C[C@@H]3C[C@H](C1)CC(n1ncc(Nc4ccc5c(c4)OCO5)c(Cl)c1=O)(C3)C2 2199647 MWPWITJYJPAFNM-DRUBFKJYSA-N 443.887 3.749 0 40 IHAB Nc1c(C(=O)NCCCc2ccccc2)c2nc3ccccc3nc2n1C[C@H]1CCCO1 2329000 ZGHJNPVJWXZCOR-GOSISDBHSA-N 429.524 3.708 0 40 IHAB CCN(CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(OC)c(OC)c1 2405615 LZDCYYMRLODENZ-QFIPXVFZSA-N 436.508 3.697 0 40 IHAB CCn1ccnc1SCC(=O)Nc1ccccc1C(=O)NCCc1ccc(OC)cc1 8719923 BUJWCPCZEOLFKS-UHFFFAOYSA-N 438.553 3.615 0 40 IHAB O=C([C@H](Sc1nnc(NCc2ccccc2)s1)c1ccccc1)N1CCOCC1 8752730 PWFKTQFVOFURON-GOSISDBHSA-N 426.567 3.842 0 40 IHAB COc1ccccc1CCNC(=O)Cn1cc(S(=O)(=O)c2ccccc2)c2ccccc21 8865156 LXLPBQJNKSCGNF-UHFFFAOYSA-N 448.544 3.842 0 40 IHAB COc1cc(OC)cc(C(=O)Nc2cccc(Cl)c2N2CCN(C(=O)C(C)C)CC2)c1 8904360 CBRTYGJCLPLQOK-UHFFFAOYSA-N 445.947 3.914 0 40 IHAB COCC(=O)n1nc(-c2cccnc2)nc1NCc1ccc(OCc2ccccc2)cc1 9288873 ADUIVTNTOJEXFS-UHFFFAOYSA-N 429.480 3.818 0 40 IHAB CC(=O)Nc1ccc(NC(=O)CSc2nc3cc(Br)c(C)nc3[nH]2)cc1 9308549 YQMYIWINGBILBK-UHFFFAOYSA-N 434.319 3.718 0 40 IHAB CCOc1cc(CNCc2ccc3c(c2)OCO3)ccc1Oc1nnnn1-c1ccccc1 9356193 NMUBJKWMVVHXBY-UHFFFAOYSA-N 445.479 3.872 0 40 IHAB Cc1ccc(-c2csc3ncn(CC(=O)NC(=O)N[C@H]4CCCC[C@H]4C)c(=O)c23)s1 9536807 LEHJJOZADQFPTE-DOMZBBRYSA-N 444.582 3.899 0 40 IHAB Cc1cccc(-n2c(C)nnc2SCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)c1 9572963 GSEXUJLNPXFAHG-UHFFFAOYSA-N 441.582 3.654 0 40 IHAB COc1ccc(NC(C)=O)cc1NC(=O)Cc1csc(NC(=O)NC2CCCCC2)n1 9626112 KMUYSUBSQRWKSL-UHFFFAOYSA-N 445.545 3.746 0 40 IHAB COc1ccc(N(Cc2cccs2)C(=O)CCN2C(=O)NC3(CCCC3)C2=O)cc1 9671967 ROAHQVRCDBFGFX-UHFFFAOYSA-N 427.526 3.545 0 40 IHAB COc1ccc(Nc2nc(Nc3cc(C)cc(C)c3)nc(N3CCOCC3)n2)cc1OC 9708847 YITCQLAFBRTKJK-UHFFFAOYSA-N 436.516 3.829 0 40 IHAB O=C(Nc1ncc(Cc2ccccc2)s1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 9823910 USBXNSGODQAHLI-LJQANCHMSA-N 445.541 3.665 0 40 IHAB O=C(CSc1nnc(-c2cccnc2)n1C1CC1)Nc1ccc(N2CCCC2=O)cc1 9869437 BPPSPGPDTLLEHF-UHFFFAOYSA-N 434.525 3.533 0 40 IHAB CCOc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(-c3ccc(Cl)c(Cl)c3)nc21 10188012 LSXJFSPIXOIRSB-UHFFFAOYSA-N 444.278 3.580 0 40 IHAB Cc1cc(C(=O)N(C)Cc2ccccc2N2CCCCC2)cc(S(=O)(=O)N(C)C)c1C 10899435 BOLCAHIPPKNFAP-UHFFFAOYSA-N 443.613 3.816 0 40 IHAB CCc1ccc(S(=O)(=O)N2CCN(c3ccc(-c4ccc(Cl)cc4)nn3)CC2)s1 11695357 JLJMNATVHIGEOZ-UHFFFAOYSA-N 449.001 3.932 0 40 IHAB COc1ccc(-c2noc(CSc3nc(-c4ccc(F)cc4)cc(=O)[nH]3)n2)cc1OC 12415003 PHLUJJGISMKHEY-UHFFFAOYSA-N 440.456 3.936 0 40 IHAB CCN(CC(=O)Nc1ccccc1Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 12569454 ZPDYVXLDSRGAIB-UHFFFAOYSA-N 426.520 3.975 0 40 IHAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)CCc1ccc(-c2ccccc2F)o1 12927325 KUIWYOHRSOJNHN-UHFFFAOYSA-N 430.501 3.585 0 40 IHAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)N[C@@H](C)c1ccccc1Br 12998764 LFEUXHJIYHLOML-AWEZNQCLSA-N 436.325 3.997 0 40 IHAB Cc1c(-c2ccccc2)oc2c(C(=O)NC[C@@H](C(C)C)N3CCOCC3)cccc2c1=O 12999835 QPMAPMDEZSLEIM-QFIPXVFZSA-N 434.536 3.855 0 40 IHAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccccc1NC(=O)CSc1nnnn1C 13138188 RVLRAAOTKCFQBD-RKVPGOIHSA-N 431.562 3.559 0 40 IHAB COCCN(C(=O)c1cc(OC)c(OC)c(OC)c1)c1nnc(-c2cccc(C)c2)s1 13563258 MOEKWYVZPDVQHQ-UHFFFAOYSA-N 443.525 3.833 0 40 IHAB O=C(c1cc2ccccc2o1)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 14603712 HBOXHRRMHMOJLO-UHFFFAOYSA-N 439.320 3.886 0 40 IHAB CCOC(=O)C1=C(CSc2nc3ccc(OCC)cc3[nH]2)NC(=O)N[C@H]1c1ccco1 18193319 MHRBKRDFVCUJNH-SFHVURJKSA-N 442.497 3.518 0 40 IHAB Cc1cc(-c2cnc(N3CCCCC3)nc2C2CCN(C(=O)c3cscn3)CC2)on1 19123172 URALYTXUBZDNSV-UHFFFAOYSA-N 438.557 3.907 0 40 IHAB Cc1ccc(S(=O)(=O)N2C[C@H]3C[C@H](NC(=O)c4cc5ccc(Cl)cc5[nH]4)[C@H]3C2)cc1 19211834 GILOFMMKYNKVTA-BPAFIMBUSA-N 443.956 3.569 0 40 IHAB O=C([C@@H]1CCCO1)N1CC[C@H](c2nc(Nc3cccc(F)c3)cc(-c3ccncc3)n2)C1 19294160 FYJYUTOGKBGRSZ-UWJYYQICSA-N 433.487 3.916 0 40 IHAB COc1ccc(CNC(=O)[C@@H](NC(=O)c2cc3ccc(OC)cc3[nH]2)c2ccccc2)cc1 20722117 ZTHFAPVUEPWEKO-DEOSSOPVSA-N 443.503 3.973 0 40 IHAB C[C@@H](OC(=O)CSc1cnc2ccccc2n1)C(=O)Nc1ncc(Cl)cc1Cl 21461601 DXMBFWCGLNEZQV-SNVBAGLBSA-N 437.308 3.994 0 40 IHAB O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1nc(CN2CCCCC2)cs1)c1ccco1 22289383 DSMIKXPDJWVZJE-IBGZPJMESA-N 438.553 3.702 0 40 IHAB Cc1ccc(OCCNC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc1 22308271 YVZXTNKTEBTRDI-UHFFFAOYSA-N 442.512 3.525 0 40 IHAB COc1ccc(COC[C@H](O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 22923802 VGDGVAFLGVNWFD-AREMUKBSSA-N 446.591 3.980 0 40 IHAB COc1ccc(NC(=O)CN2CCN(Cc3csc4ccccc34)CC2)cc1OC 22933219 IZKLRKRMDKJPNQ-UHFFFAOYSA-N 425.554 3.675 0 40 IHAB CCOCc1ccc(CNC(=O)CN2C(=O)NC3(CCC(C(C)(C)CC)CC3)C2=O)cc1 23150742 QNBIIEHMQRVUSK-UHFFFAOYSA-N 443.588 3.756 0 40 IHAB Cc1cc2nc(C)c(CCC(=O)N(C)CC(=O)Nc3ccc(Cl)c(Cl)c3)c(C)n2n1 23529997 JJKQHZSMIKBLGS-UHFFFAOYSA-N 448.354 3.991 0 40 IHAB O=C1C[C@@H](C(=O)N2CCCc3cc(C(F)(F)F)ccc32)CN1c1ccc2c(c1)OCO2 25084039 JIYMTWRWXCRPGV-CQSZACIVSA-N 432.398 3.766 0 40 IHAB CC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2/C=C2\SC(=S)N=C2O)cc1 26464956 DRBKYYJNYGVCJZ-YBEGLDIGSA-N 434.520 3.742 0 40 IHAB Cc1ccc(NC(=O)[C@H](C)N(C)Cc2ccc(C(=O)NCC(F)(F)F)cc2)cc1F 27303100 XGSLARCHVYOZOO-AWEZNQCLSA-N 425.426 3.885 0 40 IHAB O=C(CCc1c[nH]c2ccccc12)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 30063028 URCHORBNDNAVRK-UHFFFAOYSA-N 437.565 3.864 0 40 IHAB CC(=O)c1c(C)[nH]c(C(=O)N2CCN([C@@H](C)c3nc(-c4ccc(C)cc4)no3)CC2)c1C 31562268 QKZKLBWLIZLJLU-KRWDZBQOSA-N 435.528 3.712 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3OC(C)C)CC2)cc1 31775590 ZRLTXURKZNGRHY-UHFFFAOYSA-N 432.542 3.522 0 40 IHAB O=C(NC1CC1)c1ccc(CN(Cc2nc3ccccc3c(=O)[nH]2)Cc2ccco2)cc1 32825283 VVXLSYCSCWTSAO-UHFFFAOYSA-N 428.492 3.611 0 40 IHAB COC(=O)c1cccc(S(=O)(=O)Oc2ccc3c(c2)c(C(=O)OC)c(C)n3C2CC2)c1 32900076 GHLCELSXCSYLGX-UHFFFAOYSA-N 443.477 3.626 0 40 IHAB Cc1noc(C)c1COc1ccc(CC(=O)NCCc2cc(F)cc3c2OCOC3)cc1 32921855 UKGYNUDGMPNOTG-UHFFFAOYSA-N 440.471 3.777 0 40 IHAB CC1(C)Cc2ccccc2-c2nnc(SCC(=O)Nc3ccccc3N3CCOCC3)n21 35311561 HMPQNYMXBRNPCZ-UHFFFAOYSA-N 449.580 3.804 0 40 IHAB CCOC(=O)c1sc(NC(=O)Cn2cc(C=O)c3ccccc32)c(C(=O)OCC)c1C 35351515 CFVRIABLWUZXBL-UHFFFAOYSA-N 442.493 3.816 0 40 IHAB COc1ccc(OC)c(S(=O)(=O)N2CCC(c3nc(-c4ccc(C)cc4)no3)CC2)c1 35672068 GPTOXDAOOPUAPX-UHFFFAOYSA-N 443.525 3.631 0 40 IHAB CN(CC(=O)N1c2ccccc2OC[C@@H]1c1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 36383191 MHACSOBOINOYLI-JOCHJYFZSA-N 440.503 3.522 0 40 IHAB CCc1ccc(NC(=O)Cn2c(=O)n(CCc3ccccc3)c(=O)c3ccccc32)cc1 44839436 QQXDARGDKQNJEP-UHFFFAOYSA-N 427.504 3.607 0 40 IHAB CCOc1ccc(-c2cc(=O)n(CC(=O)NCc3csc(-c4ccccc4)n3)cn2)cc1 49343572 YLADSQDJTRIHMB-UHFFFAOYSA-N 446.532 3.749 0 40 IHAB Cc1ccc(C(=O)NC2CCN(C(=O)c3cn(-c4ccc(Cl)cc4)nn3)CC2)cc1C 49406271 HXBVPKRMAZXYMP-UHFFFAOYSA-N 437.931 3.572 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1N1CCN(C(=O)/C=C/c2ccc3c(c2)OCO3)CC1 56907902 ZJJJXRIIJFGHMR-PKNBQFBNSA-N 430.508 3.580 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)Cn1c(-c2cccc(Cl)c2)nc(CC)cc1=O 57527621 SJTCCYKXXMCEDC-UHFFFAOYSA-N 439.899 3.942 0 40 IHAB NS(=O)(=O)c1ccc(CNc2nnc(-c3cccs3)c(-c3cccs3)n2)cc1 57740568 OYDYHLZDJBWPFK-UHFFFAOYSA-N 429.552 3.588 0 40 IHAB O=C(CN(Cc1cccc(O)c1)C1CCC(O)CC1)Nc1ccc(Br)cc1 58178133 QZSGQEDORJPDGC-UHFFFAOYSA-N 433.346 3.899 0 40 IHAB O=C(Oc1ccc(I)cc1)[C@@H]1CCCN1C(=O)NC1CCCCC1 58407621 DJWLORBAQHMRMS-INIZCTEOSA-N 442.297 3.703 0 40 IHAB Cc1ccc(C)c([C@H]2NC(=O)N(CC(=O)Nc3cc(Cl)ccc3C)C3=C2C(=O)OC3)c1 67288705 WCVXTMRFDCOENL-OAQYLSRUSA-N 439.899 3.781 0 40 IHAB Cc1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(C)cc3Br)c2C)cc1 67323574 AOQZXFDRJWMDKP-UHFFFAOYSA-N 442.317 3.857 0 40 IHAB CCOC(=O)Cn1ccc2cc(NC(=O)[C@@H]3CC(=O)N(c4cccc(Cl)c4)C3)ccc21 69414225 ALDGFXUPHPSLCI-MRXNPFEDSA-N 439.899 3.849 0 40 IHAB O=C(Cc1cccc2ccccc12)NCC(=O)N1CCC(c2c[nH]c3ncccc23)CC1 70007354 OAPBGOFLLIIYKY-UHFFFAOYSA-N 426.520 3.781 0 40 IHAB CN1C(=O)CC[C@H](c2nc(-c3ccc(OCc4cccnc4)cc3)no2)[C@H]1c1cnn(C)c1 72289743 PKQZWCCWQMZPAM-RBBKRZOGSA-N 444.495 3.521 0 40 IHAB C[C@H]1CCN(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)[C@H](c2ccco2)C1 72304661 DUWZCCPOHISXAY-RXVVDRJESA-N 430.570 3.997 0 40 IHAB CCN(CC)C(=O)c1cccc(NC(=O)CN(CCCO)[C@@H]2CCCc3ccccc32)c1 72308763 LAHSKUYYSZVPHW-XMMPIXPASA-N 437.584 3.869 0 40 IHAB Cn1cnc(S(=O)(=O)N2CCC[C@@H](c3cccc(Cc4ccc(Cl)cc4)n3)C2)c1 72350357 LAAFCUBFAQTVQR-QGZVFWFLSA-N 430.961 3.628 0 40 IHAB Cc1ccc(C(=O)N2CCC[C@@H](c3cc(C(F)(F)F)c4c(N)nc(C)nc4n3)C2)cn1 72350868 WEWMQVXXERMSRO-CQSZACIVSA-N 430.434 3.657 0 40 IHAB COc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2c2cccc(Nc3cnccn3)n2)cc1C 72375819 JTLSXYWZTBXWNW-GOSISDBHSA-N 439.541 3.766 0 40 IHAB O=C(c1cc(-c2ccccc2)n[nH]1)N1CCC[C@@H](c2cc(C(F)(F)F)n3ncnc3n2)C1 72393658 DQADLWOBEHPFCR-CQSZACIVSA-N 441.417 3.553 0 40 IHAB CN(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@@H]1CCCC[C@@H]1S(C)(=O)=O 78969796 QFBODVHEBPEOMQ-CABCVRRESA-N 426.888 3.585 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)Nc2nncs2)cc1)c1ccc(Cl)cc1Cl 95446980 KYYNHAGYTUWDML-UHFFFAOYSA-N 429.310 3.898 0 40 IHAB COc1ccccc1CNC(=O)c1nc(-c2cn(-c3nccs3)cn2)n2ccccc12 96037971 GKERYWLLISFRSX-UHFFFAOYSA-N 430.493 3.582 0 40 IHAB COc1cc(/C=C/C(=O)NCCn2nc(-c3ccncc3)cc2C2CC2)cc(OC)c1OC 96121670 UBPOBLLAYGAHQR-QPJJXVBHSA-N 448.523 3.678 0 40 IHAB COc1ccc(-c2cc(N3CCC(NC(=O)CCc4ccccc4OC)CC3)[nH]n2)cc1 98212782 FIUZRLGSRRRYSN-UHFFFAOYSA-N 434.540 3.812 0 40 IHAB O=C(CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1)NCc1ccccc1 113941273 ZUHDRCQPXCAJQB-UHFFFAOYSA-N 432.904 3.991 0 40 IHAB COc1ccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3ccc(C)cc3C)n2)c(OC)c1 219538397 DHKWVXXVPYIPNV-INIZCTEOSA-N 425.485 3.797 0 40 IHAB CC[C@@H](C(=O)NCCSCc1ccc(C)cc1)N(c1ccccc1F)S(C)(=O)=O 220589403 XYRRWIHFSRKLDB-IBGZPJMESA-N 438.590 3.728 0 40 IHAB CC[C@H](NC(=O)c1cc(N(C)S(C)(=O)=O)ccc1Cl)c1ccc(OC)c(OC)c1 222506130 HHLKDQMFRMQMEJ-KRWDZBQOSA-N 440.949 3.634 0 40 IHAB COc1ccc(OC)c(NC(=O)CCCN(c2cccc(Cl)c2C)S(C)(=O)=O)c1 222663904 SMGHWVNREZWQNQ-UHFFFAOYSA-N 440.949 3.851 0 40 IHAB O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)NCCc1ccc(F)cc1 223502311 XGEWAKVVFRNXQP-UHFFFAOYSA-N 430.476 3.519 0 40 IHAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 223535581 LLUXUUUNCFBVSK-HSZRJFAPSA-N 442.581 3.562 0 40 IHAB CCc1ccc(N(CC(=O)NCCc2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 223768506 IDHMWWJLQODFNS-UHFFFAOYSA-N 440.540 3.942 0 40 IHAB Cc1cc(S(=O)(=O)NCc2cccc(CN3CCCCC3)c2)ccc1N1CCCC1=O 224679026 HGOZKHFMBKOJAS-UHFFFAOYSA-N 441.597 3.586 0 40 IHAB COc1ccc(CC(=O)N(Cc2ccc(Br)cc2)[C@@H](C)C(=O)NC(C)C)cc1 224730066 CLXZNQLUNHXGOL-INIZCTEOSA-N 447.373 3.942 0 40 IHAB C[C@H]1C[C@H](C)CN(c2cc(Cl)nc(NC(=S)NCc3ccc4c(c3)OCCO4)n2)C1 226016138 DXCYKTJERLANCC-KBPBESRZSA-N 447.992 3.870 0 40 IHAB CCOc1cc(-c2cc(-c3cc(Br)c(O)c(OC)c3)nn2CCO)ccc1O 257231260 GFYULUHWNYNTFZ-UHFFFAOYSA-N 449.301 3.790 0 40 IHAB CC(C)(NC(=O)c1cccc(F)c1)C(=O)N1CCOC[C@H](Cc2cnc3ccccc3c2)C1 257240132 HSEILTUDHBTPKJ-LJQANCHMSA-N 449.526 3.600 0 40 IHAB Cc1nc([C@@H]2CCCN(C(=O)C3CCCC3)C2)nc(C)c1CC(=O)NC1CCCCC1 257249656 JJGHXFTXGWBMMF-HXUWFJFHSA-N 426.605 3.981 0 40 IHAB Cc1ccccc1N1C[C@H](C(=O)Oc2cccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)c2)CC1=O 408649744 AFCKYNLBFCIPBR-UIFIKXQLSA-N 446.503 3.633 0 40 IHAB COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1ccc(SC)cc1 409068042 JWSDPBVDLPCXPP-PDGQHHTCSA-N 428.535 3.565 0 40 IHAB CC(C)COC(=O)CN1C(=O)S/C(=C\c2ccc(I)cc2)C1=O 409213188 RKAUSADGHGXKQZ-QPEQYQDCSA-N 445.278 3.527 0 40 IHAB Cc1cc(C(=O)N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)c2n[nH]cc2c1 548735618 AHLOZJYQIJCMGG-UHFFFAOYSA-N 431.418 3.880 0 40 IHAB COc1ccc(C(=O)N2CCN(C(C)=O)C[C@H]2c2ccccc2)cc1NCc1cccnc1 585261867 CFYGRAMRDYRCAW-DEOSSOPVSA-N 444.535 3.748 0 40 IHAB CC(C)CN1CCOc2ccccc2CCCCC2(CCN(C(=O)CN(C)C)CC2)C1 643573946 SKCMEXCLECCDHL-UHFFFAOYSA-N 429.649 3.920 0 40 IHAB C[C@]1(c2cccc(C(=O)Nc3ccc(Cl)cc3[C@H](O)c3ccccc3)c2)NC(=O)NC1=O 1627842305 KQBTUYBSTKKUGR-HYBUGGRVSA-N 449.894 3.729 0 40 IHAB COc1ccc(Cl)cc1-n1nnc(S(=O)(=O)c2ccc(Br)cc2)c1C 1775966820 CRBZDNBNBGLGLK-UHFFFAOYSA-N 442.722 3.833 0 40 IHAB C[Si](C)(C)CCOCn1ncc(N2Cc3ccc(O)cc3C2)c(C(F)(F)F)c1=O 2362803299 XHIHCEKUDMEQER-UHFFFAOYSA-N 427.499 3.800 0 40 IHAB COc1ccc(-c2csc3ncn(CC(=O)NC4CCCCC4)c(=O)c23)cc1OC 646362 SDWGTERTICUEGK-UHFFFAOYSA-N 427.526 3.591 0 40 IHAB Cc1cc(=O)oc2cc(OC(=O)CSc3nc(O)cc(Cc4ccccc4)n3)ccc12 1056171 LHQDEPKMOZBCQL-UHFFFAOYSA-N 434.473 3.886 0 40 IHAB biogenic COc1ccc(CCN2C(=O)CC[C@]2(C)C(=O)Nc2ccc3c(ccn3C)c2)cc1OC 1413550 WDZPRVQDJJRRDI-RUZDIDTESA-N 435.524 3.758 0 40 IHAB CCCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)O)ccc12 2097271 IGEMCFUXXCCYPI-YOEHRIQHSA-N 435.542 3.534 0 40 IHAB biogenic CC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)/C=C/c2ccc(Cl)cc2)cc1 2393478 PPLYKDRTKZTMCZ-NYYWCZLTSA-N 432.958 3.699 0 40 IHAB Cc1ccc(Cl)c(NC(=O)CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c1Cl 2624395 OKSIRINECSGSGO-MRXNPFEDSA-N 445.306 3.885 0 40 IHAB COc1cccc(C(=O)Nc2c3c(nn2-c2cccc(C)c2C)C[S@](=O)C3)c1OC 2725071 XUOYDNCHZBPNIY-PMERELPUSA-N 425.510 3.521 0 40 IHAB Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2C(=O)NCCCn2ccnc2)c1C 3234369 NVKBEFACMKOJHF-UHFFFAOYSA-N 440.569 3.738 0 40 IHAB CC(=O)Oc1ccccc1C(=O)NCCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O 3363840 LAPWKCGXDDTOGM-PDGQHHTCSA-N 444.896 3.732 0 40 IHAB O=S(=O)(c1cccs1)N1CCN(c2ncnc3sc4c(c23)CCCCC4)CC1 3441675 KKKVEOOBTIUZGR-UHFFFAOYSA-N 434.612 3.533 0 40 IHAB Cc1ccc2cc([C@@H](c3nnnn3Cc3ccccc3)N3CCC(C)CC3)c(=O)[nH]c2c1 6409930 QGMFDLUNTDCCMF-QHCPKHFHSA-N 428.540 3.693 0 40 IHAB CN(CC(=O)NCc1ccco1)C(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 8734826 QCNKNNZRRABGGQ-UHFFFAOYSA-N 434.521 3.641 0 40 IHAB CCC(=O)N1CCc2c([nH]c3ccccc23)[C@]12C(=O)N(C)c1ccc(Br)cc12 8876867 BLSQCXQEGWDTPP-JOCHJYFZSA-N 438.325 3.945 0 40 IHAB biogenic CCN1CCN(c2ccc(Cl)cc2NC(=O)[C@H]2CCCN2C(=O)c2cccs2)CC1 9245074 QDMNNRYIBCGPEP-LJQANCHMSA-N 447.004 3.787 0 40 IHAB CCOC(=O)Cn1cc(/C=C2/SC(=O)N(CC(=O)OC(C)(C)C)C2=O)c2ccccc21 9259872 KAVWKMVOGODIEW-LICLKQGHSA-N 444.509 3.582 0 40 IHAB CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2cccc(NC(=O)c3cccs3)c2)C1=O 9364939 MZABITWHBIEJDZ-QHCPKHFHSA-N 448.504 3.503 0 40 IHAB CCCCOc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCO)cc1OC 9409282 FDCHKTAISOZCLH-QHCPKHFHSA-N 437.496 3.507 0 40 IHAB COc1cccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NCCCn4ccnc4)cc3N2)c1 9410840 TZBVTOJRWCGAKK-WMZOPIPTSA-N 448.449 3.569 0 40 IHAB CCCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2ccc(Oc3ccccc3)cc2)n(C)c1=O 9519084 AQPQHVNJMJIDNN-KRWDZBQOSA-N 445.523 3.887 0 40 IHAB COc1cc(/C=C/C(=O)OCC(=O)NCCc2ccc(Cl)cc2)ccc1OC(F)F 9586883 MIIRZYDXDYUZLW-WEVVVXLNSA-N 439.842 3.865 0 40 IHAB O=S(=O)(Nc1ccc(-c2ccc(N3CCOCC3)nn2)cc1)c1ccc2ccccc2c1 9714662 OMUYRNKBDIHWRH-UHFFFAOYSA-N 446.532 3.934 0 40 IHAB COc1ccc(-c2ccc(=O)n(CC(=O)Nc3cc(Cl)cc(Cl)c3)n2)cc1OC 10131870 XHGKWUIUJMJYEA-UHFFFAOYSA-N 434.279 3.873 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)Sc3ccc(Cl)cc3)CC2)cc1 10287579 DLGSAMIWSNSLTE-INIZCTEOSA-N 439.002 3.662 0 40 IHAB CCOc1ccccc1NC(=O)[C@H](C)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 10434392 QADMWWUFOKBTIV-ZDUSSCGKSA-N 426.922 3.541 0 40 IHAB COc1cccc(-n2c(SCC(=O)Nc3ccccc3F)nc3c(c2=O)SCC3)c1 12140628 NTVNJFGRHIQFSC-UHFFFAOYSA-N 443.525 3.759 0 40 IHAB Cc1ccc(-n2c(=O)c3oc4ccccc4c3n(CC(=O)N3CCCCCC3)c2=O)cc1 12140738 SKJGDZJEPYOPSW-UHFFFAOYSA-N 431.492 3.610 0 40 IHAB Cc1ccccc1-n1ncc2c(C)nn(CC(=O)Nc3ccc(C(F)(F)F)cc3)c(=O)c21 12228546 AVWAPYQIKFUBPL-UHFFFAOYSA-N 441.413 3.857 0 40 IHAB Cc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(Br)cc4)ccn3n2)cc1 12414409 HUQOSZGLTQYQHT-UHFFFAOYSA-N 437.297 3.873 0 40 IHAB O=C(Cn1nc(-c2cccs2)oc1=O)N1CCC(c2nc3ccccc3s2)CC1 12614148 PKCAVSXJNHXZSY-UHFFFAOYSA-N 426.523 3.581 0 40 IHAB CCOc1ccc([C@@H](CNC(=O)c2ccc(Cl)cc2F)N2CCOCC2)cc1OC 12801777 GJAPGPOCMOIJBF-LJQANCHMSA-N 436.911 3.690 0 40 IHAB COc1cc(C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)cc(OC)c1Br 12987060 KXNVSFYFLOFYMW-LBPRGKRZSA-N 431.290 3.538 0 40 IHAB COc1ccc([C@H]2CCCCCN2CC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)cc1 12998648 XMFQXNHAWREBCS-JOCHJYFZSA-N 445.585 3.515 0 40 IHAB Cc1nc2sc([C@@H](c3ccc(Br)cc3)N3C[C@H](C)O[C@H](C)C3)c(O)n2n1 13147500 KBVFGQXDEVQCEJ-JRPNMDOOSA-N 437.363 3.766 0 40 IHAB CCN(C(=O)Cn1c(=O)n(CCc2ccccc2)c(=O)c2sccc21)c1cccc(C)c1 13533566 QHLGKAZKKDFYOO-UHFFFAOYSA-N 447.560 3.829 0 40 IHAB COc1ccc(Cn2nnnc2S[C@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 14198160 QMGJHEVYJQFQTR-OAHLLOKOSA-N 439.541 3.688 0 40 IHAB O=C(CSC(=S)N1CCCC1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 15411691 CVALIIYDVQIWDB-UHFFFAOYSA-N 436.990 3.995 0 40 IHAB Cc1cc(Br)ccc1NC(=O)CN(C)CC(=O)Nc1cc(C(C)(C)C)no1 15419410 VTZBJSGAQBONEM-UHFFFAOYSA-N 437.338 3.552 0 40 IHAB COc1cccc([C@H]2S[C@H](C)C(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)c1OC 17197889 SXTOFQVIWKMJNX-IQMFZBJNSA-N 439.537 3.669 0 40 IHAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)OCc1nc(N)nc(Nc2ccc(C)cc2)n1 18747080 IQMPCBQQVUSCDH-HXUWFJFHSA-N 444.495 3.513 0 40 IHAB Cc1cccc(CC(=O)N2CCO[C@](Cc3cccc(-c4ccccc4)c3)(C(N)=O)C2)c1 19234782 BXVXBVCSQCULSU-MHZLTWQESA-N 428.532 3.530 0 40 IHAB COc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@@H](O)c3c[nH]c4ccc(F)cc34)CC1)O2 19562162 SXCSUEQAIXKWFT-FGZHOGPDSA-N 426.488 3.700 0 40 IHAB Cc1ncc(C(=O)Nc2ccccc2F)c(CCNC(=O)c2cccc3ncccc23)n1 19697292 SJHGLSXIKCNHFI-UHFFFAOYSA-N 429.455 3.697 0 40 IHAB COc1cc([C@@H]2C3=C(COC3=O)Nc3c2c(C)nn3-c2ccccc2)cc(OC)c1OC 20086309 CJKTYALAAYPEMR-FQEVSTJZSA-N 433.464 3.575 0 40 IHAB COc1cc(OC)cc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)c(OC)c2)c1 20153531 FXULZUXXDGVLHC-UHFFFAOYSA-N 442.493 3.592 0 40 IHAB C[C@@H](NC(=O)CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O)c1ccccc1Cl 21329072 UDZFRTMLKIWKMH-IQMFZBJNSA-N 425.916 3.691 0 40 IHAB CCS(=O)(=O)c1cccc(C(=O)Nc2cc(C)nn2-c2nc3ccc(F)cc3s2)c1 21685263 JJDQMKHYWFDZAN-UHFFFAOYSA-N 444.513 3.975 0 40 IHAB COCCN1C(=O)c2[nH]nc(-c3c(C)cc(C)cc3O)c2[C@@H]1c1ccc(OC)c(OC)c1 21782967 KBABHXNFKVCFIB-QHCPKHFHSA-N 437.496 3.608 0 40 IHAB Cc1ccc(Cl)cc1N(CC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)S(C)(=O)=O 22336912 RVGMMQCIYBMYMB-QGZVFWFLSA-N 436.961 3.833 0 40 IHAB CCCOc1ccc(N(CC(=O)Nc2cc(Cl)ccc2OC)S(C)(=O)=O)cc1 22386835 OAJVRZISLJYRAT-UHFFFAOYSA-N 426.922 3.542 0 40 IHAB CC(C)(C)c1cc(NC(=O)Cc2cccc3ccccc23)n([C@@H]2CCS(=O)(=O)C2)n1 22503503 RFVZWFZWGHQAEJ-GOSISDBHSA-N 425.554 3.875 0 40 IHAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1nc(CN2CCOCC2)cs1 22701988 FMJLVUORUDAZMX-UHFFFAOYSA-N 432.933 3.855 0 40 IHAB O=C(CCCn1c(=O)oc2ccccc21)N1CCCN(Cc2ccc(Cl)cc2)CC1 23182722 SECGQCFVDLLRCK-UHFFFAOYSA-N 427.932 3.763 0 40 IHAB O=C(CN1CCN(Cc2cccc(C(F)(F)F)c2)CC1)Nc1ccnn1C1CCCC1 23257913 GLFUDKYMIILTTO-UHFFFAOYSA-N 435.494 3.773 0 40 IHAB CC(C)n1nccc1NC(=O)[C@H](C)OC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 23467215 RVJHSLCCHMGGLH-HNNXBMFYSA-N 446.935 3.540 0 40 IHAB CSc1cccc(N2C[C@@H](C(=O)N(C)Cc3cnn(Cc4ccccc4)c3)CC2=O)c1 27159977 WGSUQFYUDSJNDC-FQEVSTJZSA-N 434.565 3.665 0 40 IHAB COc1ccccc1[C@H](CNC(=O)c1cc(=O)c2ccc(Br)cc2o1)N(C)C 28288211 FKZAJAMMVYXVNV-INIZCTEOSA-N 445.313 3.597 0 40 IHAB CCOc1cc(C(=O)Nc2cccc(NS(C)(=O)=O)c2)ccc1OCc1cccnc1 30231291 DGDNNWXPDIONFO-UHFFFAOYSA-N 441.509 3.683 0 40 IHAB O=C(c1c[nH]c2ccccc12)[C@H](NCCCN1C(=O)NC2(CCCC2)C1=O)c1ccccc1 32514147 XVYGHATWTGJCCZ-JOCHJYFZSA-N 444.535 3.936 0 40 IHAB COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(CCNS(C)(=O)=O)s2)cc1 32836964 XMMUXGPLFWIQOD-IBGZPJMESA-N 436.599 3.606 0 40 IHAB Cc1nc2c3ccccc3nc(S[C@H](C)C(=O)N3c4ccccc4NC(=O)C3(C)C)n2n1 32871561 ZNVZAWKJCZSDFQ-CYBMUJFWSA-N 446.536 3.830 0 40 IHAB CCc1nc(C)c2c(C)c(C(=O)NCc3nnc4ccc(C(F)(F)F)cn34)sc2n1 32903170 VALUKBMXSUHTOA-UHFFFAOYSA-N 434.447 3.862 0 40 IHAB Cn1cnnc1[C@H]1CCCN(Cn2nc(-c3ccc(C(C)(C)C)cc3)n(C)c2=S)C1 32911760 ZWOLOMLKPBPLBT-KRWDZBQOSA-N 425.606 3.881 0 40 IHAB CCOc1ccc(NC(=O)NCc2cc(=O)n3nc(-c4ccccc4C)sc3n2)cc1 32995988 NWBHJHZMRFOTEV-UHFFFAOYSA-N 435.509 3.847 0 40 IHAB Cc1ccc(-c2noc(Cn3cnc4c(cnn4-c4ccc(C)c(Cl)c4)c3=O)n2)cc1 33293071 SRMIFSPRBCPXLL-UHFFFAOYSA-N 432.871 3.951 0 40 IHAB COc1ccc(N([C@@H](C)C(=O)N[C@H]2CCCc3ccccc32)S(C)(=O)=O)cc1Cl 36107360 YGCNIHKUEZPECZ-LIRRHRJNSA-N 436.961 3.697 0 40 IHAB O=C(Nc1ccc(Br)cn1)[C@@H]1CC(c2cccc(Br)c2)=NO1 36615430 HRFWBTWJZGAATA-ZDUSSCGKSA-N 425.080 3.738 0 40 IHAB COc1cccc(Cn2nccc2NC(=O)CCc2nc(-c3ccsc3)no2)c1OC 36874874 JCIGRJQUFXVKIU-UHFFFAOYSA-N 439.497 3.631 0 40 IHAB CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1cc(-c2ccco2)nc2onc(C)c12 40024938 OGDQLEQAENFLNM-UHFFFAOYSA-N 434.452 3.901 0 40 IHAB CC[C@@H](C)NC(=O)c1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 40121963 VEZHSGJCLYUKGU-QAPCUYQASA-N 427.932 3.538 0 40 IHAB CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccc(C(=O)O)cc2)n2ncnc2N1 40484474 PEVKRTOEXAEGJI-KRWDZBQOSA-N 443.385 3.923 0 40 IHAB CC(C)Oc1ccc(-c2noc(Cn3ncn4nc(-c5cccs5)cc4c3=O)n2)cc1 49004370 XZGZENIRJPSISV-UHFFFAOYSA-N 434.481 3.505 0 40 IHAB COc1ccc(N2C(=O)C[C@H](c3cc(OC)ccc3OC)c3sc(=O)n(C)c32)cc1 49550015 SPZJKAOXVWITTD-QGZVFWFLSA-N 426.494 3.673 0 40 IHAB CCOC(=O)c1c(NC(=S)NC(=O)c2ccc3nsnc3c2)sc2c1CCCC2 57316086 LEMOAZQZRHKWSO-UHFFFAOYSA-N 446.579 3.935 0 40 IHAB CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)N1CCN(C(=O)C2CC2)CC1 57703608 FANHKTNCCNSQOW-KRWDZBQOSA-N 431.886 3.876 0 40 IHAB COc1ccccc1OCC(=O)NCCn1cc(-c2ccncc2)c(-c2ccc(F)cc2)n1 57774558 OCRGXBHNQCNHPA-UHFFFAOYSA-N 446.482 3.955 0 40 IHAB COc1cc2c(cc1OC)CN(C(=O)N[C@@H](C)c1cc(OC)c(OC)c(OC)c1)CC2 59315010 BWHUZRQILJVTSX-AWEZNQCLSA-N 430.501 3.559 0 40 IHAB O=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2oc3ccccc3c21)NC1CCCCC1 67291933 VAIPUZMHPRUZNR-UHFFFAOYSA-N 445.519 3.601 0 40 IHAB Cc1ccc([C@@H](C)NC(=O)Cn2c(-c3ccc(Cl)cc3)nc(C)c(CCO)c2=O)cc1 67300780 DGWGWIPLLQZRRH-MRXNPFEDSA-N 439.943 3.593 0 40 IHAB O=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccccc2F)cc1)c1ccccc1 67896496 GFYMWENVFZKBPT-ISKFKSNPSA-N 434.467 3.539 0 40 IHAB biogenic,in-vitro Cc1cc2nn(CC(=O)Nc3cccc(Cl)c3C)c(=O)n2c(Nc2ccc(F)cc2)n1 72328311 GXSKFEYVDLJYHW-UHFFFAOYSA-N 440.866 3.683 0 40 IHAB NC(=O)c1cccc(-c2cccc([C@H]3CCCN(C(=O)COc4ccc(F)cc4)C3)n2)c1 72350221 PHXGOAVSQWSVJU-IBGZPJMESA-N 433.483 3.772 0 40 IHAB CSc1nc(C(C)(C)C)nc(C)c1C(=O)Nc1cnn(Cc2cn3ccccc3n2)c1 84019612 CLZOGNGZKNBUMK-UHFFFAOYSA-N 435.557 3.949 0 40 IHAB C[C@H](C(=O)Nc1cccc(NS(=O)(=O)c2ccccc2-c2ccno2)c1)n1cccn1 95468047 HZWNGSYWFMPWJR-OAHLLOKOSA-N 437.481 3.539 0 40 IHAB CC(C)N1CCc2c(nc3cc([C@H]4CCCCN4C(=O)c4cccs4)nn3c2O)C1 100234034 DJUZJJNSPOIXKU-GOSISDBHSA-N 425.558 3.630 0 40 IHAB CCCN(CC(=O)Nc1ccccc1OC)[C@@H](C)C(=O)N[C@H](C)CCc1ccccc1 102396341 GVBHHWBHTLZXFM-UXHICEINSA-N 425.573 3.872 0 40 IHAB CCc1ccc(N([C@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)cc1 220286988 IHBPNZQXGWQNHE-OXQOHEQNSA-N 430.570 3.822 0 40 IHAB CCOc1ccc(N([C@@H](CC)C(=O)N[C@@H](CC)c2ccc(OC)cc2)S(C)(=O)=O)cc1 220679904 FXATXCSYNGIEAO-VXKWHMMOSA-N 448.585 3.906 0 40 IHAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1cc(OC)cc(OC)c1 223080552 OFRIAMFLEALTGU-LJQANCHMSA-N 442.556 3.725 0 40 IHAB Cc1cc(C)c([C@H](C)NC(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1C 223440497 GYUQXYOPSTYGPO-SFHVURJKSA-N 446.569 3.764 0 40 IHAB Cc1ccccc1OCCNC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 223502400 ACGZZNMZQCCRMJ-UHFFFAOYSA-N 442.512 3.525 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)Cc3ccc(F)cc3)cc2)cc1 224085470 GHKNVXAUWNEJED-UHFFFAOYSA-N 428.485 3.907 0 40 IHAB CCN(Cc1ccc(C(=O)N2CCC[C@@H](C)C2)cc1)S(=O)(=O)c1ccc(OC)cc1 224466856 KDNNBDGWFDMPKN-GOSISDBHSA-N 430.570 3.778 0 40 IHAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 225570662 VBHTVNYSAGMPGN-HXUWFJFHSA-N 428.554 3.812 0 40 IHAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCCN2CCc3ccccc3C2)c1 225698073 RPWLSNPNKRIZHP-BWAHOGKJSA-N 443.547 3.924 0 40 IHAB Cc1ccccc1[C@@H](NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1)c1ccccc1 225722428 VWOMSNGBHGZXTP-DEOSSOPVSA-N 438.549 3.675 0 40 IHAB O=C(c1cccc(Cn2ccnc2)c1)N1CCOC[C@H](Cc2ccc3ccncc3c2)C1 257247692 JABITYBXDLOIEC-JOCHJYFZSA-N 426.520 3.811 0 40 IHAB Cc1cc(N(C)C)nc([C@@]2(C)CCCN(C(=O)C3(c4ccccc4F)CCOCC3)C2)n1 257270163 MTAMKRFOSDTXJU-DEOSSOPVSA-N 440.563 3.619 0 40 IHAB Cc1ccccc1C(=O)N1CC[C@@H](c2cc3nc(C)c(CCC(=O)NC(C)C)c(C)n3n2)C1 257288993 PWNYTNGCORLFPX-HXUWFJFHSA-N 447.583 3.741 0 40 IHAB CCNC(=O)C1(Cc2cccc(-c3ccncc3)c2)CCN(C(=O)c2cccnc2)CC1 257293727 QQXFAXNROGKDGB-UHFFFAOYSA-N 428.536 3.745 0 40 IHAB COc1cccc(C(=O)N2CCN(C(C)=O)C[C@H]2c2ccccc2)c1OCc1ccccn1 257330897 XQLZZHVAGVMRAV-QHCPKHFHSA-N 445.519 3.715 0 40 IHAB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3cccs3)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1 408665039 ZHZARUNIRSCDEO-DLBZAZTESA-N 442.924 3.983 0 40 IHAB COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(O)c(Cl)c1 409056298 CIXHSFBEBDDIAV-DHDCSXOGSA-N 437.304 3.847 0 40 IHAB C[C@@H](C(=O)Nc1ccc(Br)c(Cl)c1)N(c1ccccc1)S(C)(=O)=O 409263187 IDCISMQVFFNANU-NSHDSACASA-N 431.739 3.896 0 40 IHAB CCn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1cccc(Cl)c1 409331219 MTYLHRJMWQDALA-UHFFFAOYSA-N 447.923 3.751 0 40 IHAB Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(Cc3cnn(-c4ccc(F)cc4)c3)C2)cc1 513155734 XZIRPSYOUJKVSH-IBGZPJMESA-N 442.560 3.510 0 40 IHAB C[C@]1(c2ccc(C(=O)Nc3ccc4nc(-c5cccc(F)c5)[nH]c4c3)cc2)NC(=O)NC1=O 530878373 GYCIKJLBRIHSOH-XMMPIXPASA-N 443.438 3.676 0 40 IHAB O=C(c1ccccc1)N1CCCCC2(CO)CCN(CC2)C(=O)c2ccccc2OCC1 643575396 RHOUMJXDTSKMGN-UHFFFAOYSA-N 436.552 3.606 0 40 IHAB O=C(Nc1ccc([C@@H]2CNCCO2)cc1)c1cccc(CS(=O)(=O)c2ccccc2)c1 1615058330 NDRNDGXRPCZCPJ-QHCPKHFHSA-N 436.533 3.574 0 40 IHAB O=C(c1ccc(Cn2ccnc2)cc1)N1C[C@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]2C1 1888906525 IKZGMCGUPNNYQH-RTBURBONSA-N 441.457 3.554 0 40 IHAB O=C(Nc1ccccc1)c1cnn2c([C@H]3CCCN(C(=O)CCc4ccc[nH]4)C3)ccnc12 2055708118 LALFSEDQGUZTTO-SFHVURJKSA-N 442.523 3.649 0 40 IHAB O=C(Cn1c(=O)n2nc(-c3ccc(F)cc3)nc2c2ccccc21)Nc1ccccc1F 2065169846 XSAPERMYNSMHDV-UHFFFAOYSA-N 431.402 3.628 0 40 IHAB O=C(Nc1ccccc1Oc1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 902470 VZYKENQAGUUUJV-UHFFFAOYSA-N 438.505 3.752 0 40 IHAB COc1ccc(-n2ncc3c(SCC(=O)N4CCCc5ccccc54)ncnc32)cc1 1346585 JJOFVMFTEIJWJI-UHFFFAOYSA-N 431.521 3.896 0 40 IHAB O=C(CSc1nnnn1C1CCCCC1)Nc1cccc(NC(=O)c2ccco2)c1 1361018 AGVVWRLITSDYFI-UHFFFAOYSA-N 426.502 3.754 0 40 IHAB CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CCCCC3)cc2c1 6197038 WNZPDHCPDPHAHJ-HSZRJFAPSA-N 444.539 3.537 0 40 IHAB CCCSc1cc(Cl)c(C)cc1S(=O)(=O)n1ccnc1OCCCN(C)C 6244590 CRTKERKXBDVZEJ-UHFFFAOYSA-N 432.011 3.915 0 40 IHAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COc1cccc(CC)c1 6249557 ZESOJOGIMQYNDI-UHFFFAOYSA-N 428.529 3.901 0 40 IHAB Cc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=S)NCCc3ccccc3)cc2c1 6408210 KTNWAZIZJSWTIC-QFIPXVFZSA-N 435.593 3.935 0 40 IHAB CCOC(=O)c1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccco4)[C@H]3C2=O)cc1 6577009 RMZWPBIXXJEQBB-NJYVYQBISA-N 432.432 3.507 0 40 IHAB C[C@H](OC(=O)CNC(=O)c1sc2ccccc2c1Cl)c1nc2ccccc2c(=O)[nH]1 8630531 YDKNHOCNQMMWNY-NSHDSACASA-N 441.896 3.825 0 40 IHAB COc1ccc(OCCN2CCN(C(=O)c3ccccc3C(=O)c3ccccc3)CC2)cc1 8751671 NURFYRWSDSMLOM-UHFFFAOYSA-N 444.531 3.763 0 40 IHAB COc1cccc(C(=O)C[C@]2(NC(C)=O)C(=O)N(Cc3ccccc3)c3ccccc32)c1 9306519 PWDFFMUXBDDCAP-AREMUKBSSA-N 428.488 3.846 0 40 IHAB O=C1CN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)c2ccccc2N1 9356058 CRFGWTCQBMJKSQ-UHFFFAOYSA-N 441.896 3.740 0 40 IHAB COC(=O)c1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2C(F)(F)F)cc1 9373119 GFKOEFCHYDOWMF-QGZVFWFLSA-N 433.386 3.759 0 40 IHAB COc1ccccc1[C@H]1CC(c2cccc(NS(C)(=O)=O)c2)=NN1C(=O)c1ccco1 9382238 UWTZXGKBAWLFAY-LJQANCHMSA-N 439.493 3.651 0 40 IHAB CN(C(=O)CN1C(=O)N[C@](C)(c2cc3ccccc3o2)C1=O)[C@@H]1CCCc2ccccc21 9579918 DYMQYLOOZAGAME-KBMIEXCESA-N 431.492 3.736 0 40 IHAB CCn1c(SCC(=O)Nc2ccc(C(=O)OC)cc2)nc2c(oc3ccccc32)c1=O 9752287 DRTJKWUEWAXYCU-UHFFFAOYSA-N 437.477 3.680 0 40 IHAB CCOC(=O)c1c(-c2ccc(CC)cc2)csc1NC(=O)C[C@H]1CCS(=O)(=O)C1 9763848 IMWJWQJTNLGXRJ-OAHLLOKOSA-N 435.567 3.918 0 40 IHAB C[C@H](NC(=O)c1ccccc1NC(=O)CN1C(=O)CC2(CCCCC2)C1=O)c1ccccc1 9780362 LXOQCGFRPNNSNB-SFHVURJKSA-N 447.535 3.826 0 40 IHAB Cc1ccc(-n2c(SCc3nc(-c4ccccc4)no3)nnc2N2CCOCC2)cc1 9835100 XLMBYAWBGAXOFY-UHFFFAOYSA-N 434.525 3.755 0 40 IHAB CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(C)c3)C(=O)N2C(C)C)cc1 9934031 XSSDHBVTAHEYBO-HXUWFJFHSA-N 437.496 3.746 0 40 IHAB CN(C)CCCN(C(=O)CCOc1ccccc1)c1nc2cc3c(cc2s1)OCO3 10068116 KFQVOVJBOPYFFJ-UHFFFAOYSA-N 427.526 3.779 0 40 IHAB CCCN(CC(=O)Nc1cccc(Br)c1)Cc1nc2ccsc2c(=O)[nH]1 10088220 OHTISHAYVXCNRP-UHFFFAOYSA-N 435.347 3.598 0 40 IHAB COc1ccc(C(=O)Cn2nc3nnc(-c4ccccc4)c(-c4ccccc4)n3c2=O)cc1 12185900 BFCWKEHSXBDCKK-UHFFFAOYSA-N 437.459 3.512 0 40 IHAB Cn1nc(-c2cccs2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)NCc1ccccc1 12601947 LBZWKKGSKHDSOQ-ZCNNSNEGSA-N 435.597 3.826 0 40 IHAB biogenic,in-vitro COc1ccc(OC)c([C@@H](C)NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)c1 12776775 UAYHAOWEORBWKC-CQSZACIVSA-N 441.553 3.622 0 40 IHAB C[C@H]1CCc2c(sc3nc(SCCN4CCOC4=O)n(Cc4ccco4)c(=O)c23)C1 12873372 BMRZSCQOUYDVSK-ZDUSSCGKSA-N 445.566 3.768 0 40 IHAB COc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1S(=O)(=O)NC1CC1 12994147 PMMANYQYMMWBSA-LLVKDONJSA-N 443.352 3.934 0 40 IHAB COc1ccc(OC)c([C@@H](C)NS(=O)(=O)c2ccc(OC)c(Br)c2)c1 12996610 GIOLMHAUFGGCBI-LLVKDONJSA-N 430.320 3.514 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N1CCC[C@@H](C(F)(F)F)C1 13018481 REDQZFVKHJYTOW-OAHLLOKOSA-N 448.507 3.674 0 40 IHAB CCc1ccc([C@@H](C)NC(=O)COC(=O)c2ccccc2SCC(=O)NC(C)C)cc1 13056900 VSAMEDXCFFGLPZ-QGZVFWFLSA-N 442.581 3.900 0 40 IHAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 13117502 NEVXMIQAMFQRNF-UHFFFAOYSA-N 438.553 3.882 0 40 IHAB Cc1cccc(N(CC(=O)NC2CCCC2)C(=O)CCC(=O)Nc2nc(C)cs2)c1 13150891 AJVNJHUJYHYKJY-UHFFFAOYSA-N 428.558 3.571 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)cc1 13625262 KLQRRPYLNZSLCO-QGZVFWFLSA-N 429.325 3.794 0 40 IHAB CCn1c(CC(=O)Nc2ccc(C)cc2C)nnc1S[C@H](C)C(=O)NC1CCCC1 13956666 CFFGJUIMNUHGOP-MRXNPFEDSA-N 429.590 3.635 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1C(=O)N1CCC(C)CC1 14399063 RLJKHRSUQFWJAO-UHFFFAOYSA-N 428.554 3.709 0 40 IHAB O=C1c2ccccc2N[C@H](c2cc(Br)c3c(c2)OCO3)N1C[C@H]1CCCO1 15503800 BOHMAYFVEBJQKT-YJYMSZOUSA-N 431.286 3.923 0 40 IHAB COc1ccc(NC(=O)CN(C)C(=O)c2ccc(-n3nc(C)c(Cl)c3C)cc2)cc1 15968534 BDTQGAJMRBHBCR-UHFFFAOYSA-N 426.904 3.862 0 40 IHAB COc1ccccc1NC(=O)c1cn(C[C@@H]2CCCO2)cc2c(=O)n(-c3ccccc3)nc1-2 16973850 AQMSJYNOPPGMEX-SFHVURJKSA-N 444.491 3.579 0 40 IHAB O=C(CCc1ccccc1)N1CCC[C@@H](c2n[nH]cc2-c2ccnc(N3CCCC3)n2)C1 19370726 DFLWEAWJRYYFOM-HXUWFJFHSA-N 430.556 3.806 0 40 IHAB COc1ccc(C(=O)c2cn(CC(=O)Nc3ccc4[nH]cnc4c3)c3cnccc23)cc1 19553261 OIANMLMVOXBTIG-UHFFFAOYSA-N 425.448 3.791 0 40 IHAB CN(C)C(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CN(C(=O)C2CCCCC2)CCO1 19580595 JPZDTPUSYZFMSY-AREMUKBSSA-N 435.568 3.557 0 40 IHAB COc1ccc(CN2CCN(C)C(=O)[C@H](Cc3ccccc3-c3cccnc3)C2)c(OC)c1 19589640 LCFHBSNERWKJCQ-HSZRJFAPSA-N 445.563 3.899 0 40 IHAB CCOc1ccc(C(=O)NC(=S)Nc2ccc(I)c(C)n2)cc1 19633187 HXEBDMKGBNOPKE-UHFFFAOYSA-N 441.294 3.520 0 40 IHAB CCCC(=O)N1CCC(c2nc(NC)cc([C@@H]3CC(=O)N(c4ccc(F)cc4)C3)n2)CC1 19697321 XGPIYWKZTLUMOE-QGZVFWFLSA-N 439.535 3.684 0 40 IHAB Cc1nc([C@H]2CCCN(C(=O)c3cc[nH]n3)C2)nc2c1CCCN2CCc1ccccc1 19754745 GRYUNDHMIRZOIC-FQEVSTJZSA-N 430.556 3.523 0 40 IHAB CNc1cc(CN(C)C(C)=O)nc([C@@H]2CCCN2Cc2ccc(-c3ccccn3)cc2)n1 19760440 OJQWLXRSCKRCEY-QHCPKHFHSA-N 430.556 3.896 0 40 IHAB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)Nc1ccc(F)c(F)c1F 20010210 IKAREPYDTLWRBA-UHFFFAOYSA-N 448.466 3.976 0 40 IHAB O=C(NC(=S)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccccc1 20218728 RUKYHTBSBKOLOE-UHFFFAOYSA-N 428.867 3.591 0 40 IHAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 20455605 KLADEFAPBDOQJQ-LJQANCHMSA-N 446.569 3.974 0 40 IHAB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2F)cc1 22271380 VWPOOILSXSJAHI-QFIPXVFZSA-N 442.512 3.753 0 40 IHAB COc1ccc(-c2nn3c(SCC(=O)c4ccc(Cl)cc4)nnc3nc2O)cc1 22720497 WTZGIWZXBKHRLG-UHFFFAOYSA-N 427.873 3.529 0 40 IHAB O=C1CCCN1c1ccc(OCC(=O)N2CCC[C@H]2COc2ccc(Cl)cc2)cc1 24553381 KYRWWJJUHRMAEZ-IBGZPJMESA-N 428.916 3.916 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCCSC1CCCC1 25245791 OLRSNFWYXPCEPX-UHFFFAOYSA-N 440.631 3.666 0 40 IHAB O=C(c1cc(F)c(Cl)cc1Cl)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 32744556 LNNIGPABTMTKLE-UHFFFAOYSA-N 425.287 3.862 0 40 IHAB COc1ccc(/C=C2/SC(=O)N(CCNC(=O)[C@@H](C)Oc3cccc(C)c3)C2=O)cc1 35374472 UPBKVKUNLGTEIQ-ZGPWBKFBSA-N 440.521 3.624 0 40 IHAB O=C(CSc1nnc2c(=O)n(-c3ccc(F)c(F)c3)ccn12)c1c[nH]c2ccccc12 35447946 HWAIPAALCKHFPN-UHFFFAOYSA-N 437.431 3.615 0 40 IHAB COc1ccccc1N1CCN(C(=O)C2CCN(Cc3cccc(Cl)c3)CC2)CC1 39763522 RORXZAMJQNYASC-UHFFFAOYSA-N 427.976 3.909 0 40 IHAB Cc1cc(C)n(-c2ccc(C(=O)N3CCN(Cc4nc(-c5ccsc5)no4)CC3)cc2)n1 40051111 IWOXMWBKGMLMTI-UHFFFAOYSA-N 448.552 3.559 0 40 IHAB CN(C)C(=O)COc1cccc(C(=O)Nc2nnc(SCc3ccccc3)s2)c1 40140437 SGNDEGIEBYASNN-UHFFFAOYSA-N 428.539 3.550 0 40 IHAB O=C(Cn1ccc2ccc(Br)cc21)Nc1ccc(CN2CCOCC2)cc1 40284925 PUSJJHCMLOMJGS-UHFFFAOYSA-N 428.330 3.875 0 40 IHAB CCCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)NCc2cccc(OC)c2)C1 44803862 WMZCJUKVYSRXJC-LJQANCHMSA-N 434.540 3.960 0 40 IHAB CSc1nn(CC(=O)Nc2ccc(F)cc2)c(N)c1-c1nc(-c2ccc(C)cc2)no1 46914487 ITPSUGANTNQADQ-UHFFFAOYSA-N 438.488 3.990 0 40 IHAB CCOc1ccccc1NC(=O)Cn1nc2c(Sc3ccc(C)cc3C)nccn2c1=O 49009030 NKDIXXAQLKULSR-UHFFFAOYSA-N 449.536 3.696 0 40 IHAB O=C([C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1)N1CCN(c2ccccc2Cl)CC1 57416616 GCDXJRPGNOEICG-CQSZACIVSA-N 436.314 3.834 0 40 IHAB COc1cccc(Cn2c(SCC(=O)NC3CCCC3)nc3ccsc3c2=O)c1 57426157 SQPYMFASXOWUSQ-UHFFFAOYSA-N 429.567 3.666 0 40 IHAB CC(=O)Nc1ccc(C)c(NC(=O)[C@@H](C)N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1 58357620 AALHKLASTHLVEI-SNVBAGLBSA-N 434.279 3.883 0 40 IHAB Cc1nnc(SCC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)n1Cc1ccccc1 59332577 XAZINYAGZKZXFJ-UHFFFAOYSA-N 441.582 3.977 0 40 IHAB O=C(CCc1ccccc1)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccccc2)cc1 67896402 XQHZVRPOGZBIHE-SHQCIBLASA-N 444.531 3.719 0 40 IHAB biogenic,in-vitro O=S(=O)(NC1CCN(Cc2cc(-c3ccccc3)no2)CC1)c1ccc(Cl)cc1 71844403 VOLFUYJZTZPYBH-UHFFFAOYSA-N 431.945 3.938 0 40 IHAB COc1ccccc1NC(=O)c1ccc(C2CCN(C(=O)Cc3ccccc3)CC2)nc1N 72346306 JMSYSULTWREMSH-UHFFFAOYSA-N 444.535 3.873 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@H]2c2cc(Nc3cnccn3)cc(C)n2)cc1C 72372679 RHLOSKLDFBGKHQ-FQEVSTJZSA-N 439.541 3.766 0 40 IHAB Cc1ccc(C(=O)NCC(=O)NC2CCN(CC3(c4ccc(Cl)cc4)CCC3)CC2)o1 72393394 ZZPRWAGORUKHRE-UHFFFAOYSA-N 443.975 3.674 0 40 IHAB COc1ccc(-c2coc3c4c(cc(OC)c3c2=O)OC(=O)C[C@@H]4c2ccnn2C)cc1 85878143 YLYCKDFZQIHLPE-OAHLLOKOSA-N 432.432 3.652 0 40 IHAB biogenic Cn1cc(-c2ccccc2CNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cn1 89756590 DXCXVCPGHMDKDO-UHFFFAOYSA-N 446.532 3.818 0 40 IHAB C[C@@H]1CN(Cc2cccc(OCC(N)=O)c2)c2ccccc2CN1C(=O)OC(C)(C)C 95441412 XKSDGUFJXDFHHE-QGZVFWFLSA-N 425.529 3.697 0 40 IHAB COc1ccc(CN2CCC3(CC2)C[C@@H](CC(=O)N2CCOCC2)c2ccccc23)cc1 96052814 PGMAHOYYWOEMCD-JOCHJYFZSA-N 434.580 3.965 0 40 IHAB Cc1cc(C)c(C)c(S(=O)(=O)N2CC[C@@H](S(=O)(=O)c3ccc(Cl)cc3)C2)c1C 96103505 AMVMKCOCVQYXQI-LJQANCHMSA-N 442.002 3.811 0 40 IHAB CCn1c(SCC(=O)N[C@@H]2CCCC[C@@H]2C)nnc1[C@H](C)NC(=O)c1cccc(C)c1 103143573 YOFUAKMQUDFWNX-JENIJYKNSA-N 443.617 3.884 0 40 IHAB CC1(C)C[C@H]2C[C@](C)(CN2[C@@H](C(=O)O)c2c[nH]c3cc(NC(=O)/C=C/C(=O)O)ccc23)C1 217936885 OGOIDEGCILKTIU-KAKMSODBSA-N 439.512 3.774 0 40 IHAB CC[C@@H](C(=O)NCCCc1ccc(F)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 219106312 JUYJDTHWCYCTGG-IBGZPJMESA-N 426.941 3.773 0 40 IHAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H](C)N(c1cccc(F)c1)S(C)(=O)=O 220489157 FUMBSPRLRJMKAY-KXBFYZLASA-N 434.533 3.707 0 40 IHAB CCOCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1 222852654 SEQUHEKVTHNQGZ-GOSISDBHSA-N 432.948 3.679 0 40 IHAB COC(=O)c1ccc(NCc2ccccc2)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 223418372 SBLCZXJMHDSNEU-UHFFFAOYSA-N 426.494 3.895 0 40 IHAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCc1ccc(Cl)cc1Cl 223754032 XGAKRIDSEBRBHW-UHFFFAOYSA-N 445.368 3.501 0 40 IHAB Cc1c(Cl)cccc1N(CC(=O)Nc1nnc(SCC(C)C)s1)S(C)(=O)=O 224314622 KOYBIYCCZVNKBT-UHFFFAOYSA-N 449.023 3.653 0 40 IHAB O=C(c1cccc(Cn2ccnc2)c1)N1CCOC[C@H](Cc2cccc3cccnc23)C1 257227498 FPONNAVUBJQKQF-OAQYLSRUSA-N 426.520 3.811 0 40 IHAB CCCS(=O)(=O)N1CCC[C@@H]1c1ccc(C(=O)O)c(COc2ccc(Cl)cc2)n1 257268993 MOCSLCDWUJWHNN-LJQANCHMSA-N 438.933 3.889 0 40 IHAB COCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(Cn5cccn5)cc4)OCC[C@@]31C2 257302029 SBBXBXSKCVRQJV-IRAZMCGKSA-N 437.584 3.967 0 40 IHAB CCc1nc(NC(=O)CN2[C@H]3CCCC(=O)N[C@@]3(C)C[C@H]2Cc2ccccc2)sc1C 257302102 SBOFPBQYXHGOMV-WWEVIYMKSA-N 440.613 3.697 0 40 IHAB O=C(c1ccccc1CN1CCOCC1)N1CCOC[C@H](Cc2ccc3ccoc3c2)C1 257302204 SBYCNNJJKUDJBH-OAQYLSRUSA-N 434.536 3.596 0 40 IHAB O=C1COc2ccccc2C/C=C/C[C@H]2CN(C(=O)c3nccc4ccccc34)CC[C@H]2N1 257326314 WWTAIKIOKGMTKS-WKSVDYBKSA-N 441.531 3.763 0 40 IHAB COc1ccc(N([C@H](C)C(=O)N[C@H](C)c2cc(C)ccc2C)S(C)(=O)=O)cc1Cl 260453410 OTXGNSSQQGICDV-HZPDHXFCSA-N 438.977 3.997 0 40 IHAB COc1ccc(-c2ccc3nnc(C4CCN(C(=O)c5csc(C)n5)CC4)n3n2)cc1 306127822 GIMILYZLOFQLEH-UHFFFAOYSA-N 434.525 3.585 0 40 IHAB O=C(Oc1cccc(N2C(=O)CCC2=O)c1)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 408643769 RUCBOADZJVQIQY-LBPRGKRZSA-N 447.274 3.605 0 40 IHAB COc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)c1OC 409161330 SYBVHAHMVUVQKZ-GZTJUZNOSA-N 426.494 3.996 0 40 IHAB CCCN1CCN(C(=O)c2ncc[nH]2)C[C@H](Cc2ccccc2-c2ccc(C)cc2)C1=O 585183634 UVUGZXSDYOVGHX-QFIPXVFZSA-N 430.552 3.938 0 40 IHAB Cc1ccc2c(c1)Cc1cccc(c1)CN(C(=O)CCc1cnn(C)c1)CCOCCO2 643572668 MHHOPODBHWSQRR-UHFFFAOYSA-N 433.552 3.690 0 40 IHAB CN(CC(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)C[C@H]1CCn2ccnc2C1 685576702 ZEDCGZHDANEXID-REWPJTCUSA-N 441.579 3.807 0 40 IHAB COc1nscc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 1593901800 MDSSHDSCRXSZFX-UHFFFAOYSA-N 429.932 3.920 0 40 IHAB CCOC(=O)C1=NN(c2ccccc2C)C2=NC(C)=C(C(=O)OC)[C@H](c3cccs3)N12 642639 HBZUTJWBBWXFBB-SFHVURJKSA-N 438.509 3.613 0 40 IHAB O=C(O)/C=C/C(=O)Nc1cccc(Oc2ccc3c(c2)C(=O)N(c2ccc(O)cc2)C3=O)c1 1244551 ZKTPDQOHWCWNFG-ZHACJKMWSA-N 444.399 3.564 0 40 IHAB COc1cc([C@@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc(Br)c1OC 2119405 PNZVVNMGDOMIBA-WBVHZDCISA-N 431.286 3.636 0 40 IHAB biogenic CC(=O)c1cccc(NC(=O)C(=O)c2cn(CC(=O)N3CCCCC3)c3ccccc23)c1 3015439 VXFVZKGJILBMHP-UHFFFAOYSA-N 431.492 3.678 0 40 IHAB O=C(COC(=O)c1ccc(F)cc1Cl)Nc1cccc(I)c1 3295944 QJGYUVJASOQQSS-UHFFFAOYSA-N 433.604 3.879 0 40 IHAB CC(=O)Nc1cccc(NC(=O)CSc2nc3sc4c(c3c(=O)[nH]2)CCCC4)c1 8640099 YLILVKZIPKBNFB-UHFFFAOYSA-N 428.539 3.553 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(C(=O)c2ccco2)CC3)cc1C 8977175 UYDRTMXONLVXQG-UHFFFAOYSA-N 426.494 3.596 0 40 IHAB O=C(Nc1nc2c(s1)CCC[C@H]2C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 9071675 ZNPVUMVFOCZXAP-MRXNPFEDSA-N 435.505 3.860 0 40 IHAB COc1cc(NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)c(OC)cc1Cl 9094940 PLFZJXYWEYMWGM-UHFFFAOYSA-N 447.340 3.724 0 40 IHAB CCOc1ccccc1NC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)CC1 9191054 FEZFAFYQCOWYHJ-FQEVSTJZSA-N 449.551 3.624 0 40 IHAB O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)[C@H]1CC(=O)N(c2ccccc2F)C1 9252789 PCKQZLGJAVOVNN-ZDUSSCGKSA-N 425.441 3.670 0 40 IHAB Cc1cccc(N2CCN(C(=O)[C@H]3Cc4ccccc4CN3C(=O)c3ccco3)CC2)c1C 9493301 ULLMOSYRCCHERW-XMMPIXPASA-N 443.547 3.812 0 40 IHAB COc1ccc(/C=C2\N=C(S[C@H](C)C(N)=O)N(c3ccc(OC(F)F)cc3)C2=O)cc1 9501561 YGLPQZWDIYEALG-ZSAINHDTSA-N 447.463 3.647 0 40 IHAB O=C(Nc1nnc(CCc2ccccc2)s1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 9667499 HTSMIWIXYAZNCN-OAHLLOKOSA-N 426.929 3.968 0 40 IHAB C[C@@H](NC(=O)CN1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21)c1cc2ccccc2o1 9783324 YMNUIXYGHPHEHY-HOYKHHGWSA-N 447.535 3.890 0 40 IHAB O=C(c1ccc(NS(=O)(=O)c2cccs2)cc1)N1CCN(c2ccccc2F)CC1 10055018 DYBXIGQJFXFYTM-UHFFFAOYSA-N 445.541 3.650 0 40 IHAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2sc(NC(=O)C3CC3)cc2C)c1 10084300 KOJJEHJPBKPPAO-UHFFFAOYSA-N 435.571 3.688 0 40 IHAB CC(=O)c1cccc(NC(=O)Cn2nc(-c3ccc(Br)cc3)ccc2=O)c1 10131934 MJMUGSIOBATYRH-UHFFFAOYSA-N 426.270 3.514 0 40 IHAB CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)cc1 10253041 MMJIVJLDMSHCSB-UHFFFAOYSA-N 428.535 3.988 0 40 IHAB CC1=C(C(=O)Nc2cc(C)on2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1CC(C)C 11203990 FDWGXMQUBHATNY-SFHVURJKSA-N 429.502 3.691 0 40 IHAB CN(CCOc1ccccc1)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 11238753 MAMDUYBKJJHWFN-UHFFFAOYSA-N 428.485 3.778 0 40 IHAB CCS(=O)(=O)c1ccc(NC(=O)c2csc(-c3ccc(OC)c(OC)c3)n2)cc1 11544020 BWHDJCWSVFTTJR-UHFFFAOYSA-N 432.523 3.873 0 40 IHAB CCOc1cc([C@@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@@H](C)Nc3ncnn32)ccc1O 11694878 WBBMFNAKLGKZHU-ZUSMLRIVSA-N 427.892 3.694 0 40 IHAB COCCn1c(SCC(=O)NCc2ccc(F)cc2)nnc1-c1c[nH]c2ccccc12 11758030 WOYFRFURXACZGC-UHFFFAOYSA-N 439.516 3.620 0 40 IHAB Cc1cc(C)cc(O[C@@H](C)C(=O)N2CCC(c3cc(C(F)(F)F)n4ncnc4n3)CC2)c1 12188555 AAJBEIWNHGCSSI-HNNXBMFYSA-N 447.461 3.933 0 40 IHAB CCOc1ccc(NC(=O)COC(=O)CSCC(=O)Nc2ccc(C)cc2C)cc1 12266265 ZPLAJWXQXRWRAW-UHFFFAOYSA-N 430.526 3.556 0 40 IHAB Cc1c(-c2ccccc2)sc2ncn(CC(=O)c3c[nH]c(C(=O)N4CCCC4)c3)c(=O)c12 12615389 MEHLKOJBHFVSOR-UHFFFAOYSA-N 446.532 3.880 0 40 IHAB CS(=O)(=O)c1cccc(NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)c1 12770906 JYBTYTOLUZOZJT-UHFFFAOYSA-N 436.942 3.960 0 40 IHAB CC(=O)NCc1ccc(-c2csc(NC(=O)CNC(=O)c3ccc(Cl)cc3)n2)s1 12942846 GFKJVDYVAIDVLZ-UHFFFAOYSA-N 448.957 3.530 0 40 IHAB CC[C@H](c1nnnn1CCOC)N(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 13064754 OEQNPOZGFJVOHU-JOCHJYFZSA-N 438.576 3.674 0 40 IHAB Cc1ccc(N(CC(=O)NCc2ccccc2)C(=O)CCC(=O)Nc2ccccn2)cc1C 13501275 QCTNPPDUWVVIIB-UHFFFAOYSA-N 444.535 3.767 0 40 IHAB CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C[C@@H]([C@H]5C(c6ccc(Cl)cc6)=NO[C@@H]45)[C@H]3C2=O)cc1 13692301 JUKXLVWUIODHES-HVSHRVNHSA-N 434.879 3.717 0 40 IHAB CC[C@H](C(=O)NCCSc1ccccc1)N(c1cccc(Cl)c1)S(C)(=O)=O 13712128 QONIOIINEMYXIA-GOSISDBHSA-N 426.991 3.793 0 40 IHAB CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)C1 13790052 WZBISNZQWTZNMU-MRVPVSSYSA-N 440.399 3.789 0 40 IHAB Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CCC(=O)NCCN1CCCC1 13945779 NZUKYKIXPWAZRO-VWLOTQADSA-N 430.552 3.624 0 40 IHAB Cc1nc(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)c2c3c(sc2n1)CCCCC3 14198574 SDNPUWVZVGVLOL-NRFANRHFSA-N 435.597 3.617 0 40 IHAB Fc1ccc(-c2nnc(SCc3nc4ccccc4o3)n2CCN2CCOCC2)cc1 14201372 OZSVYCKWOSYDSQ-UHFFFAOYSA-N 439.516 3.850 0 40 IHAB NC(=O)c1ccc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 14304671 JHTMOBGICYDSRA-UHFFFAOYSA-N 432.904 3.969 0 40 IHAB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CN1CCC[C@@H](C(=O)OCC)C1 16050365 XDWHYUQBYAYMJH-QGZVFWFLSA-N 444.553 3.805 0 40 IHAB Cc1cc(NC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)ccc1Br 16925813 QRIQKKXLFZCEKZ-UHFFFAOYSA-N 428.286 3.646 0 40 IHAB Cc1ccc(NC(=O)C(=O)NCCc2csc3nc(-c4ccccc4C)nn23)c(C)c1 17025781 HMYPQNYJWFZISI-UHFFFAOYSA-N 433.537 3.680 0 40 IHAB Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=S)NC(=O)CC(C)C)cc2)CC1 17102716 NEYOSSIXRWDBOD-UHFFFAOYSA-N 438.597 3.817 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(CNc2cnn(-c3ccccc3)c(=O)c2Cl)cc1 17281931 KEBQQPBIPPWOSN-UHFFFAOYSA-N 446.960 3.529 0 40 IHAB O=C(NC1CC1)[C@@H](Sc1nnc(CN2CCCC2)n1-c1ccccc1)c1ccccc1 17718307 NISJYUMLDOJTPR-QFIPXVFZSA-N 433.581 3.975 0 40 IHAB CCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1-c1c[nH]c2ccccc12 17751246 DQRTWXPZOLLNMT-UHFFFAOYSA-N 446.580 3.887 0 40 IHAB O=C(NCCn1nc(-c2ccc(F)cc2)cc1-c1cccnc1)c1cc(C(F)(F)F)[nH]n1 19340535 QQXGXSANGTWVLN-UHFFFAOYSA-N 444.392 3.923 0 40 IHAB CC(C)(C)c1ccc(C(=O)[C@@H]([C@@H](c2ccccc2)N2CCOCC2)N2CCOCC2)cc1 19365025 LLWAEHIULOYSDC-JWQCQUIFSA-N 436.596 3.941 0 40 IHAB CCc1nccn1CC(=O)N1CCC[C@H](c2nc(N(C)C)ncc2-c2ccc(F)cc2)C1 19694228 NSLHZQNUKFSVPQ-SFHVURJKSA-N 436.535 3.514 0 40 IHAB Cc1ccc(C)c([C@@H]2CCCN2C(=O)c2cccn(CC(=O)NCc3ccccc3)c2=O)c1 19750056 XVLBVPLXVPNYMN-DEOSSOPVSA-N 443.547 3.759 0 40 IHAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(CO)[C@@H]3C[C@H]3O[C@]32[C@@H](C)OC(C)=O)C1 19897758 DWYNCPYCKLCUCM-FRVGJSQHSA-N 432.557 3.552 0 40 IHAB biogenic,in-vitro CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N[C@H](C)c2ccc(SC)cc2)cc1 20013906 SIWILKAHCQZBPH-MRXNPFEDSA-N 436.599 3.695 0 40 IHAB C[C@H](NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1)c1ccc(F)cc1 20050689 QUTLQRVJUFZHRA-AOMKIAJQSA-N 440.496 3.659 0 40 IHAB CCN1CCN(CCc2nc3cc(NC(=O)c4ccc(Cl)cc4)ccc3n2C)CC1 20503358 QRXRSNGHMSERIZ-UHFFFAOYSA-N 425.964 3.659 0 40 IHAB COc1cccc(CNC(=O)c2ccc3c(O)nc4c(-c5cccc(C)c5)nnn4c3c2)c1 21867132 YVMGHWSUNWORED-UHFFFAOYSA-N 439.475 3.897 0 40 IHAB Cc1ccc(OCCNC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)cc1 22279626 FYFHJJIGPDEGNH-UHFFFAOYSA-N 438.549 3.694 0 40 IHAB CC[C@@H](C)Oc1cccc(C(=O)NC(=S)Nc2ccc(CN3CCOCC3)cc2)c1 22485797 LLVHXOMAJVIRAN-QGZVFWFLSA-N 427.570 3.823 0 40 IHAB CCOC(=O)[C@H]1CCCN([C@@H](c2ccc(OCC)cc2)c2sc3nc(C)nn3c2O)C1 22626215 LAAOEHWWDROFND-WMZOPIPTSA-N 444.557 3.568 0 40 IHAB O=C(CN1CCN(CCOc2ccccc2)CC1)Nc1ccc(N2CCCCCC2)cc1 22804671 XCPXWBJQZKSBBE-UHFFFAOYSA-N 436.600 3.702 0 40 IHAB O=c1cc(CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)nc2ccccn12 23291914 VAZLCHSLYXKPQF-UHFFFAOYSA-N 446.501 3.880 0 40 IHAB COc1ccc(-c2cc3ncnc(NC[C@@H]([C@@H]4CCOC4)N4CCOCC4)c3s2)cc1 24204483 TZBNMFVVWGZOKM-XLIONFOSSA-N 440.569 3.516 0 40 IHAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)c1ncc(C(F)(F)F)cc1Cl 24527749 SHOFVAJXQDZONF-LLVKDONJSA-N 426.826 3.954 0 40 IHAB COc1ccc(-c2nc(C(=O)N(C)C[C@@H]3COc4ccccc4O3)cs2)cc1OC 24661158 DZWLJUHLBIPFHU-OAHLLOKOSA-N 426.494 3.739 0 40 IHAB CCOC(=O)c1cnn(-c2cccc(NC(=O)C3CCN(C(=O)C(C)(C)C)CC3)c2)c1C 31390162 BCWGRWKAGDKAOR-UHFFFAOYSA-N 440.544 3.581 0 40 IHAB CCN(Cc1ccc2c(c1)OCO2)C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 32932576 UEAXYWORWCSDIQ-KRWDZBQOSA-N 427.476 3.847 0 40 IHAB Cn1c(=O)c2sccc2n2c(COC(=O)c3ccccc3CCc3ccccc3)nnc12 32933369 XRYNNOCRLGURPE-UHFFFAOYSA-N 444.516 3.785 0 40 IHAB COc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(OC)cc3)cc2)cc1 33366298 NRBZGLSQKIAHLZ-UHFFFAOYSA-N 426.494 3.781 0 40 IHAB C[C@@H](CCc1ccccc1)NC(=O)CC[C@H]1N=C(O)N(CCc2c[nH]c3ccccc23)C1=O 36594910 QNSNYWIKUKERGB-FDDCHVKYSA-N 446.551 3.753 0 40 IHAB biogenic CC[C@@H](C)[C@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)NCc1ccccn1 36601967 QXRIMOQDJPEFPI-IERDGZPVSA-N 447.564 3.943 0 40 IHAB COc1ccccc1-n1ncc2c(C(C)C)nnc(SCC(=O)NCc3ccco3)c21 36705186 ZZCWMOAELXGPSN-UHFFFAOYSA-N 437.525 3.949 0 40 IHAB COc1ccc(OC)c([C@@H](C)NC(=O)Cc2csc(NC(=O)c3ccoc3C)n2)c1 40131419 FZKFGWMGYNZQLH-GFCCVEGCSA-N 429.498 3.734 0 40 IHAB CSc1ccc(N2C[C@@H](C(=O)Nc3cccc(OCCn4ccnc4)c3)CC2=O)cc1 40134887 QCHMTURDSJSYEJ-KRWDZBQOSA-N 436.537 3.676 0 40 IHAB COc1ccc(-c2cc(=O)n3c4ccccc4n(CC(=O)N(C)c4ccccc4)c3n2)cc1 40484902 NYHQFAROVTZTGD-UHFFFAOYSA-N 438.487 3.988 0 40 IHAB NS(=O)(=O)c1ccc(NC(=O)c2cc3sccc3n2Cc2ccccc2F)cc1 44920761 DSNURIXGSFBRCU-UHFFFAOYSA-N 429.498 3.790 0 40 IHAB CCn1nc(-c2ccc(OC)c(S(=O)(=O)Nc3ccccc3)c2)c2c(c1=O)CCCC2 46027859 DIXIELLFTKEJFM-UHFFFAOYSA-N 439.537 3.618 0 40 IHAB CCCCOc1ccc(OC)cc1NC(=O)C(=O)NCCc1ccc(OC(C)C)cc1 48365090 UGJNSYMXNCWHRW-UHFFFAOYSA-N 428.529 3.959 0 40 IHAB COc1ccc(CNC(=O)c2nnn(-c3ccc(SC)cc3)c2-c2cccnc2)cc1 49003702 OHQUDTDJLUUWFG-UHFFFAOYSA-N 431.521 3.990 0 40 IHAB Cc1ccc(C)c(NC(=O)Cn2c(=O)n(-c3ccc(F)cc3C)c(=O)c3sccc32)c1 57493488 RCJQJDITBBCMAH-UHFFFAOYSA-N 437.496 3.917 0 40 IHAB Cc1cccc(-c2noc(-c3ccc(=O)n(CC(=O)N4CCOc5ccc(C)cc54)c3)n2)c1 67289572 UOLPFYJJNQFHCL-UHFFFAOYSA-N 442.475 3.608 0 40 IHAB O=C(NCC1CCN(c2nc3ccccc3o2)CC1)C(=O)Nc1ccc(F)c(Cl)c1 70901091 DVOOCXWIUUSUQY-UHFFFAOYSA-N 430.867 3.592 0 40 IHAB O=C(Cn1nc(N2CCC(Cc3ccccc3)CC2)ccc1=O)Nc1cccc(Cl)c1 71285530 MVZALTKUBHZWLK-UHFFFAOYSA-N 436.943 3.995 0 40 IHAB CCN(CC)S(=O)(=O)N1CCCC[C@H]1Cc1c(C(=O)N(C)C)sc2ccccc12 72370450 KDPQEPFGWWUNTK-INIZCTEOSA-N 437.631 3.587 0 40 IHAB CCCn1c(=O)c2ccccc2n2c(S[C@@H](Cc3ccccc3)C(=O)OCC)nnc12 78597201 ICGBDEYRVINBAD-IBGZPJMESA-N 436.537 3.721 0 40 IHAB Cc1cccnc1CN1[C@H]2CCC[C@H]1CC(O)(Cn1nc(-c3cccs3)ccc1=O)C2 100150327 HWEMVFICDCFVES-OALUTQOASA-N 436.581 3.623 0 40 IHAB CCOc1ncccc1C(=O)NC[C@H]1CC[C@H](c2ccnc3nc(C(F)(F)F)nn32)CC1 100159072 IOEYYEAZHFYWSV-OKILXGFUSA-N 448.449 3.641 0 40 IHAB C[C@H](NC(=O)[C@@H]1[C@H](C)C=C[C@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]21)c1ccc(Cl)cc1 102083432 BIOLLDCAYLHMMT-MOEWQIFZSA-N 428.838 3.503 0 40 IHAB CC[C@@H](C(=O)NCCCc1cccc(OC)c1)N(c1cccc(Cl)c1)S(C)(=O)=O 219092216 AISJWSHEFYVMRH-FQEVSTJZSA-N 438.977 3.642 0 40 IHAB Cc1cccc(N([C@H](C)C(=O)NCCSCc2ccccc2Cl)S(C)(=O)=O)c1 220122325 OMORGMCGYMMIAO-MRXNPFEDSA-N 441.018 3.853 0 40 IHAB COc1cccc(CCCNC(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)c1 222535654 MZXXISRFALRQAX-UHFFFAOYSA-N 438.549 3.883 0 40 IHAB CCOc1ccccc1N(CCCC(=O)N[C@@H](C)CCc1ccccc1)S(C)(=O)=O 222613563 WZYOOCYVALHUQU-IBGZPJMESA-N 432.586 3.769 0 40 IHAB CN(C(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1)[C@@H]1CCCC[C@H]1O 224182201 NTZBVUUXRIGLQJ-WOJBJXKFSA-N 436.961 3.541 0 40 IHAB CCc1cccc(C)c1N(CCCC(=O)NCCOc1ccc(C)cc1C)S(C)(=O)=O 224843680 WJUYCFGRNODRIY-UHFFFAOYSA-N 446.613 3.916 0 40 IHAB COc1ccc2c(c1)CCC[C@H]2NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 225526586 KOPPICGJIBHMQF-AUSIDOKSSA-N 442.581 3.598 0 40 IHAB Cc1ccccc1[C@H](NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1)c1ccccc1 225722458 VWOMSNGBHGZXTP-XMMPIXPASA-N 438.549 3.675 0 40 IHAB COc1ccc(NC(=O)[C@]23C[C@@H]2CN(c2ccc(Cl)cc2)S3(=O)=O)cc1Cl 225939129 CWMSAISFZHDKBR-ZMZPIMSZSA-N 427.309 3.549 0 40 IHAB O=C(N[C@@H](CN1C(=O)COC1=O)c1ccccc1)c1cc(Br)ccc1Cl 238972527 ZNSZKYOOYMIUKL-HNNXBMFYSA-N 437.677 3.552 0 40 IHAB Cc1nc2cc([C@H]3CCCN3Cc3ccc(O)cc3)nn2c(C)c1CCC(=O)N1CCCC1 257217390 CYSZRJJMWFGEPL-XMMPIXPASA-N 447.583 3.944 0 40 IHAB O=S(=O)(Cc1cc(F)cc(F)c1)N1CCC(c2cccc(Nc3cnccn3)n2)CC1 257253402 JYULTRXZMGKZPY-UHFFFAOYSA-N 445.495 3.603 0 40 IHAB COc1ccccc1Cc1cc(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)N3C(C)=O)ccn1 257260599 LDNIFAUXFFXYTM-GEMTWJNPSA-N 433.552 3.685 0 40 IHAB Cc1ccccc1C(=O)N1CC[C@H](c2cc3nc(C)c(CCC(=O)NC(C)C)c(C)n3n2)C1 257288992 PWNYTNGCORLFPX-FQEVSTJZSA-N 447.583 3.741 0 40 IHAB O=C(c1ccccc1Cn1cncn1)N1CCC[C@H]1c1cncc(Cc2cccc(F)c2)n1 257310572 UFRXNFGNLQAQDW-DEOSSOPVSA-N 442.498 3.824 0 40 IHAB CCOc1ccc(N([C@@H](CC)C(=O)N[C@H](C)CCc2ccccc2)S(C)(=O)=O)cc1 260591740 LGXZLRZIUBGKJU-GCJKJVERSA-N 432.586 3.767 0 40 IHAB Cc1cc(C)c([C@@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1C 260926591 JCECOWOTMXUMFK-FOIQADDNSA-N 436.961 3.670 0 40 IHAB O=C(CC1CCCC1)N1CCC[C@@]2(CC1)CN(c1ncccn1)CC21CN(CC2CC2)C1 306123404 AMDJTSIJVHYHKP-RUZDIDTESA-N 437.632 3.588 0 40 IHAB COc1cccc(-n2nccc2-c2nc(C(=O)NCc3ccc(F)cc3)c3cnccn23)c1 306135513 OTONYRTZFNMOQT-UHFFFAOYSA-N 442.454 3.660 0 40 IHAB O=C(COC(=O)[C@@H]1CCCN1C(=O)Oc1ccccc1)c1ccc(Br)cc1 408736668 FAJFIVWGKABALZ-KRWDZBQOSA-N 432.270 3.838 0 40 IHAB CN1CCN(c2ccc(-c3noc(Cc4cc(Cl)ccc4Br)n3)cn2)CC1 546315289 VZWPQWUOXAHJEN-UHFFFAOYSA-N 448.752 3.890 0 40 IHAB CN1CCOc2ccccc2CCCC[C@@]2(CCCN(C(=O)c3cncs3)C2)C1=O 643561252 CSKZLLPUVSWALC-QHCPKHFHSA-N 427.570 3.629 0 40 IHAB Cc1nc(N2CC(c3nc4ccccc4[nH]3)C2)cc(N2CC(c3nc4ccccc4[nH]3)C2)n1 676877581 QLVNHFUIDJSWEM-UHFFFAOYSA-N 436.523 3.745 0 40 IHAB COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](O)c1ccc(-c2cccs2)cc1 1775977685 JXEFOVWWBCDFIL-QGZVFWFLSA-N 430.913 3.865 0 40 IHAB CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CCCC[C@H]3C(=O)O)cc2)cc1 675184 YCXHTJUDKURKBK-VQTJNVASSA-N 446.525 3.716 0 40 IHAB CCCn1nnc(NC(=S)NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)n1 1255868 WQVBGKDHIMNRPN-UHFFFAOYSA-N 425.301 3.777 0 40 IHAB Cc1cccc(C)c1-n1c(SCn2nnc3ccccc3c2=O)nc2ccccc2c1=O 3280096 FPDYHNBKSMKFRY-UHFFFAOYSA-N 441.516 3.857 0 40 IHAB NS(=O)(=O)c1ccc(CCNC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 3301657 VOIJYKPANMXMCH-UHFFFAOYSA-N 429.350 3.828 0 40 IHAB O=C(CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1F)N1CCOCC1 3405455 UYNKKNPCGSSTFT-UHFFFAOYSA-N 432.908 3.678 0 40 IHAB Cc1ccc(N(CC(=O)NC2CCCC2)C(=O)CCCC(=O)Nc2ccccn2)cc1C 4092918 DTRXTLSLMZNMDD-UHFFFAOYSA-N 436.556 3.899 0 40 IHAB CC(C)c1ccc(NC(=O)CSc2nc(=O)n(CCN(C)C)c3c2CCCC3)cc1 5254488 MBQZGSLGMPEDSO-UHFFFAOYSA-N 428.602 3.538 0 40 IHAB COc1cccc(C(=O)N(Cc2ccc(OCC(N)=O)c(OC)c2)C2CCCCC2)c1 8166708 PDCKJSCUQCZUSG-UHFFFAOYSA-N 426.513 3.543 0 40 IHAB O=C(Nc1ccccc1C(=O)N1CCOCC1)c1cccc(OCCOc2ccccc2)c1 8723181 MFIJRDPONIGDMX-UHFFFAOYSA-N 446.503 3.869 0 40 IHAB CC(C)OCCCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)c(F)c1 8810449 YCPNBNAPRZIADR-UHFFFAOYSA-N 428.913 3.825 0 40 IHAB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCCCn2cnc3ccccc32)c1 9416903 VWLGYSYIOQQROU-UHFFFAOYSA-N 448.548 3.682 0 40 IHAB Cc1cc(Cl)ccc1OCC(=O)N(Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 9453654 WAKKXROSUXBBPS-KRWDZBQOSA-N 442.364 3.897 0 40 IHAB CSCC[C@@H](NC(=O)C1CCC(C)CC1)C(=O)NC1CCN(Cc2ccccc2)CC1 9668185 PHCNLNDAHMZJTB-POOLCLQXSA-N 445.673 3.831 0 40 IHAB CCN(CC)CCn1c2c(c(SCC(=O)Nc3ccc(Cl)cc3)nc1=O)CCCC2 9747044 AVZVGSOKEIXBQV-UHFFFAOYSA-N 449.020 3.848 0 40 IHAB CC(C)c1ccc(NC(=O)CSc2nc(=O)n(CCCN(C)C)c3c2CCCC3)cc1 9748005 OQTMVKOHFHABSM-UHFFFAOYSA-N 442.629 3.928 0 40 IHAB Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2c1nc1oc(-c3ccc(Cl)cc3)cn12 9789761 OVIHPHKBWSOQST-UHFFFAOYSA-N 441.274 3.963 0 40 IHAB COC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2C2CCCC2)cc1 9892375 XSVSXUKFOVBCCQ-NRFANRHFSA-N 449.507 3.890 0 40 IHAB O=C(CNS(=O)(=O)c1ccccc1)O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 10041627 HZDDSKWRSXGZHB-QFIPXVFZSA-N 443.908 3.786 0 40 IHAB COc1ccc(CCNc2nccn(-c3cc(C)c(Cl)cc3OC)c2=O)cc1OC 10273232 KOXPGKGWMCFGMM-UHFFFAOYSA-N 429.904 3.875 0 40 IHAB CN(Cc1cccs1)C(=O)COC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 10886445 MDZNVHLRGKTPQM-UHFFFAOYSA-N 427.501 3.767 0 40 IHAB CCc1nc2sc([C@@H](c3cccc(C(F)(F)F)c3)N3CCC(O)CC3)c(O)n2n1 12341975 MWSINQRQSFIUKX-OAHLLOKOSA-N 426.464 3.624 0 40 IHAB CSCC[C@H](NC(=O)CSCC(=O)Nc1ccccc1F)c1nc2ccccc2[nH]1 12544468 VVIMXUNNSXAFLM-SFHVURJKSA-N 446.573 3.984 0 40 IHAB COc1ccc(C(=O)N(C)Cc2ccc(Cl)cc2Cl)cc1S(=O)(=O)NC1CC1 12772071 NPEQDPOYFHISFS-UHFFFAOYSA-N 443.352 3.715 0 40 IHAB O=C(C[C@H]1OC(=O)c2ccccc21)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 12881383 LJYYYUZEIDNFJR-GOSISDBHSA-N 448.928 3.755 0 40 IHAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)CN(C)Cc2ccccc2Br)c1 12889799 WNXUINJNAVHBSW-UHFFFAOYSA-N 432.362 3.595 0 40 IHAB Cc1nc(COc2cccc(C(=O)N[C@@H](C)c3ccc(S(C)(=O)=O)cc3)c2)cs1 12894974 BJUREDDNIBUBHE-AWEZNQCLSA-N 430.551 3.925 0 40 IHAB C[C@@H]1Cc2cc(C(=O)N(C)Cc3ccc(Cl)cc3Cl)ccc2N1S(C)(=O)=O 12926925 YNEUYXYQTASATC-GFCCVEGCSA-N 427.353 3.976 0 40 IHAB CC(=O)c1cccc(NC(=O)CCCNS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 13100368 SPSVWXARRKVLCZ-UHFFFAOYSA-N 429.325 3.893 0 40 IHAB CCOC(=O)c1sc2nc([C@@H](C)N(C)Cc3ccc(OC)cc3OC)[nH]c(=O)c2c1C 13140805 KFRLOQYSWWKSPD-CYBMUJFWSA-N 445.541 3.680 0 40 IHAB COc1cc(C(c2cc(OC)c(OC)c(OC)c2)[C@@H]2COC(=O)[C@@H]2C)cc(OC)c1OC 13462852 ZJYVHQGPYKVXQL-CZUORRHYSA-N 446.496 3.679 0 40 IHAB biogenic,in-vitro CCCCN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NCc1ccco1)c1ccccc1 13502506 WTWNASOVZRBONO-XMMPIXPASA-N 445.523 3.711 0 40 IHAB COc1cccc([C@H]2CC(=O)N(c3ccc(Br)cc3)C3=C2C(=O)OC3)c1OC 13567542 BTZKPPPPZOQUOB-OAHLLOKOSA-N 444.281 3.798 0 40 IHAB COc1ccc(C)cc1N(CC(=O)N1CCC[C@@H](C)C1)S(=O)(=O)c1ccc(C)cc1 13670813 OXLXFPMCNQWGLV-LJQANCHMSA-N 430.570 3.766 0 40 IHAB O=C(CN1CCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)CC1)Nc1ccc(F)cc1 14182868 DPGKUMPGGGKWLT-UHFFFAOYSA-N 425.435 3.621 0 40 IHAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)CCCc1nc2ccccc2s1 14242360 GMKCNUXZKLUWOI-UHFFFAOYSA-N 439.537 3.877 0 40 IHAB Cc1ccc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc1S(=O)(=O)N1CCOCC1 15982800 GVTLJLRWGSHLBQ-UHFFFAOYSA-N 448.544 3.839 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)Cc1c[nH]c2ccccc12 16097357 WUSKETSOXMZDPT-UHFFFAOYSA-N 441.553 3.922 0 40 IHAB CCOC(=O)Cn1nc(-c2ccc(OC)c(OC)c2)cc1-c1ccc(OC)c(OC)c1 17094812 SEFNLKGACRRVQJ-UHFFFAOYSA-N 426.469 3.815 0 40 IHAB NC(=O)c1ccccc1NC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 17481947 LWTVJRMEIBWVSO-UHFFFAOYSA-N 426.826 3.708 0 40 IHAB COc1ccc2c(COC(=O)CCc3nc4ccccc4c(=O)n3C3CC3)cc(=O)oc2c1 18995155 NXFRHVKKMQZFOC-UHFFFAOYSA-N 446.459 3.522 0 40 IHAB CC(C)(C)C(=O)N1CCC(c2cc3nc4c(c(O)n3n2)CN(C2CCCCC2)CC4)CC1 19081092 CNIAQGOCXSUHRG-UHFFFAOYSA-N 439.604 3.878 0 40 IHAB COc1cccc(C(=O)N2CCO[C@](Cc3cccc(-c4ccc(C)cc4)c3)(C(N)=O)C2)c1 19212724 OPZSVJXOIMYOJR-MHZLTWQESA-N 444.531 3.610 0 40 IHAB Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)C3CCN(Cc4cccnc4)CC3)CC1)O2 19218137 UWQFRCYPIVVLJS-UHFFFAOYSA-N 433.552 3.629 0 40 IHAB Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)CC2(O)CCCCC2)cc(N(C)C)n1 19240845 ZLGWVIMENIMGNP-NRFANRHFSA-N 435.572 3.818 0 40 IHAB COc1ccc(OC)c(CN2CC[C@@](Cc3ccc(-c4cccnc4)cc3)(C(N)=O)C2)c1 19551414 ISSXTQKLBKGJNW-SANMLTNESA-N 431.536 3.686 0 40 IHAB COc1cccc(CC(=O)N2CCC[C@H](c3nc4sc5c(c4c(=O)[nH]3)CCCC5)C2)c1 19564243 JWDRLNNYPLITHZ-INIZCTEOSA-N 437.565 3.821 0 40 IHAB COc1ccccc1CC(=O)N1CCNC(=O)[C@H](Cc2ccccc2-c2ccccc2)C1 19569671 KOVAVFGDBHMMDN-HSZRJFAPSA-N 428.532 3.722 0 40 IHAB CN(c1ccc(OCC(=O)Nc2ccc(F)c(F)c2)cc1)S(=O)(=O)c1ccccc1 19937890 LCOZMZIDIHMFJH-UHFFFAOYSA-N 432.448 3.807 0 40 IHAB O=C(NCc1ccc(F)cc1)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 20016925 BUSZHZQWGMKQAH-CQSZACIVSA-N 445.343 3.850 0 40 IHAB COc1ccccc1CN(C)C(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1 20049064 XYWRZKAMVLGTPN-UHFFFAOYSA-N 438.549 3.934 0 40 IHAB COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1ncc(Br)cc1Br 20170575 SGBUNIAJGPURHU-AWEZNQCLSA-N 444.079 3.905 0 40 IHAB CCCOc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)C(F)(F)F)CC3)cc2)c1 20528940 KQCXTSKTRHGTJK-UHFFFAOYSA-N 435.446 3.939 0 40 IHAB CCOc1ccc(S(=O)(=O)NC[C@@H](c2cccn2C)N2CCc3ccccc3C2)cc1 21153650 LIFLOBWBCQTCCN-DEOSSOPVSA-N 439.581 3.502 0 40 IHAB Cc1cc2nc(C)c(CCC(=O)Nc3cccc(Cl)c3N3CCOCC3)c(C)n2n1 21901894 KXELDFAZFDZJKT-UHFFFAOYSA-N 427.936 3.716 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1 22537120 MATBWQWAQOUACL-IBGZPJMESA-N 432.586 3.899 0 40 IHAB Cc1cc(C)c(S(=O)(=O)N2CCN(Cc3coc(-c4cccs4)n3)CC2)c(C)c1 23909271 KUGPEIKTXOXEOX-UHFFFAOYSA-N 431.583 3.835 0 40 IHAB Cc1cc(Br)c(OCC(=O)Nc2sccc2C(N)=O)c(Br)c1 24423986 OVXNNBFSBMBKIM-UHFFFAOYSA-N 448.136 3.698 0 40 IHAB O=C(Nc1ccc(F)c(Cl)c1)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 24609996 PSPRUFOZDXWZAV-UHFFFAOYSA-N 428.888 3.799 0 40 IHAB CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCc1ccccc1Cn1cccn1 24624435 SWZKONCKHJAVIM-AHRSHGDUSA-N 448.611 3.905 0 40 IHAB Cc1cccc(O[C@H](C)C(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)c1 25057093 KQYKXBXHYNCUKD-GOSISDBHSA-N 428.554 3.526 0 40 IHAB CC(C)(c1ccccc1)c1ccc(OC[C@H](O)Cn2c(CC(N)=O)nc3ccccc32)cc1 25265744 VLDURPZQNAXGHE-OAQYLSRUSA-N 443.547 3.830 0 40 IHAB COc1cc2c(cc1OC)CN(Cc1cc(=O)n3cc(Cl)c(C)c(Cl)c3n1)CC2 25391940 OJWIJLKDDRIWHO-UHFFFAOYSA-N 434.323 3.885 0 40 IHAB CC(=O)c1ccc(S(=O)(=O)N2CCN([C@H](C)c3nc4ccccc4s3)CC2)cc1 26356513 QMMHNOCRSBFVNF-OAHLLOKOSA-N 429.567 3.566 0 40 IHAB O=C(COc1ccccc1Cl)Nc1cccc(OCc2cc(=O)n3ccccc3n2)c1 33268516 SHWGYPKNFWPHFL-UHFFFAOYSA-N 435.867 3.944 0 40 IHAB O=C(COc1ccc(Cl)cc1)Nc1cccc(OCc2cc(=O)n3ccccc3n2)c1 33268517 CTVRVXLEBVCTLK-UHFFFAOYSA-N 435.867 3.944 0 40 IHAB CCc1nnc(NC(=O)CSc2nnc(-c3ccccn3)n2-c2ccccc2C)s1 35289300 WVJZZMQVKNAINK-UHFFFAOYSA-N 437.554 3.782 0 40 IHAB CCc1ccc(NC(=O)C[S@@](=O)CC(=O)Nc2cc(C(F)(F)F)ccc2F)cc1 35311240 UBOWZBAVZFWULA-LJAQVGFWSA-N 430.423 3.733 0 40 IHAB O=C(NCc1cccc(C(F)(F)F)c1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 40096839 GKIBHOFNSOGRFI-UHFFFAOYSA-N 427.448 3.812 0 40 IHAB CC(C)CNC(=O)[C@@H]1CCCN(C(=O)CCCOc2ccccc2Br)C1 40121285 XUTAFUPTGYGJGH-MRXNPFEDSA-N 425.367 3.619 0 40 IHAB COc1ccc(F)cc1S(=O)(=O)NCC1CCN(Cc2ccccc2SC)CC1 43959614 MUTQWFOYPVSROW-UHFFFAOYSA-N 438.590 3.747 0 40 IHAB O=C(/C=C/c1ccco1)N1CCC(CNS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 43960660 GPFGSXBRKVVWIY-GQCTYLIASA-N 443.352 3.817 0 40 IHAB COc1ccccc1-c1cc(C(=O)N2Cc3nn(C(C)(C)C)c(-n4cccc4)c3C2)[nH]n1 56907416 MWUFBLBMNCLEMQ-UHFFFAOYSA-N 430.512 3.984 0 40 IHAB O=C(Cn1cccc1-c1nc(-c2ccc(F)cc2)no1)N1CCN(Cc2ccccc2)CC1 57486625 PRGCOKXTWQDXCA-UHFFFAOYSA-N 445.498 3.689 0 40 IHAB Cc1ccc(C)c(NC(=O)Cn2c(=O)n(CCc3cccs3)c(=O)c3sccc32)c1 57493973 ADYGJAHSBSLLQT-UHFFFAOYSA-N 439.562 3.784 0 40 IHAB Cc1ccc(-c2noc([C@@H](C)N3CCN(Cc4nccn4CC(F)(F)F)CC3)n2)cc1 58296570 YCDGCGGIGCZWTM-MRXNPFEDSA-N 434.466 3.683 0 40 IHAB C[C@H]1CN(CC(=O)NCC(=O)Nc2ccccc2Br)c2ccccc2S1 79074722 YHWHVEVKZSTRDA-ZDUSSCGKSA-N 434.359 3.505 0 40 IHAB CCCCN1CCC(NC(=O)C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(F)cc2)CC1 84744452 IBCQBLWXBNDQDO-UHFFFAOYSA-N 443.567 3.628 0 40 IHAB CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2nnc(/C=C/c3ccco3)s2)cc1 95449965 AEHZOIXBPDSMOA-YKWSONSWSA-N 432.527 3.631 0 40 IHAB COCCn1cc(C(=O)N[C@@H]2CCCc3c2[nH]c2ccc(OC)cc32)c2ccccc2c1=O 96222230 CWXBYASEANNZLB-HSZRJFAPSA-N 445.519 3.945 0 40 IHAB biogenic CCN(Cc1csc(CC(=O)Nc2ccccc2C)n1)Cc1nc2ccccc2c(=O)[nH]1 98069051 LPZHUUZXIWDUSW-UHFFFAOYSA-N 447.564 3.891 0 40 IHAB CS(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1Cl)Cc1ccc(Cl)cc1 108047959 XXHNBYGEGMFUAG-UHFFFAOYSA-N 435.760 3.725 0 40 IHAB O=C(COc1ccc(Cl)cc1Cl)N1CCC[C@H](S(=O)(=O)c2ccc(F)cc2)C1 207984111 XQUWNMHJEONILV-INIZCTEOSA-N 446.327 3.976 0 40 IHAB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(Cc2ccco2)c1C 223644392 KGSJSEGKLABAGJ-YADHBBJMSA-N 438.553 3.677 0 40 IHAB COc1cccc(OCCNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(C)c2)c1 224089452 KQACUFVWQORWML-UHFFFAOYSA-N 440.521 3.613 0 40 IHAB CC[C@@H](C(=O)Nc1nnc(-c2ccc(C)cc2)s1)N(c1ccc(F)cc1)S(C)(=O)=O 225116265 HFNNBMQSJBOKJC-KRWDZBQOSA-N 448.545 3.836 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)NCCCc1ccccc1 225329501 KOOOAOJJVDXLST-UHFFFAOYSA-N 444.597 3.551 0 40 IHAB CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccccc1 225471076 VYTUWBLAKJWDFR-OAHLLOKOSA-N 435.387 3.846 0 40 IHAB COC(=O)Nc1ccc(S(=O)(=O)NCC2(c3ccc([C@@H](C)O)s3)CCCC2)cc1 225684499 AMVZUXNTBJHTEM-CQSZACIVSA-N 438.571 3.770 0 40 IHAB CCOc1ncc([C@]2(O)CCC[C@H]3CN(Cc4cc(F)ccc4F)C[C@H]32)c(OCC)n1 253383019 KBOFMJAMTWUQHD-FCORRRHLSA-N 433.499 3.672 0 40 IHAB C[C@]12C[C@@H](Cc3ccccc3)N(C(=O)c3ccccc3Cn3cccn3)[C@H]1CCCC(=O)N2 257318846 VPQDHWPRLHIMKW-SHQBLQIYSA-N 442.563 3.816 0 40 IHAB CCS(=O)(=O)N(C)c1cccc(C(=O)N2c3ccc(Br)cc3C[C@H]2C)c1 260822776 AFXJSHZKVCOYOU-CYBMUJFWSA-N 437.359 3.826 0 40 IHAB COc1ccc(N([C@@H](C)C(=O)N[C@H](C)c2cc(C)c(C)cc2C)S(C)(=O)=O)cc1OC 260939091 QEUCEDCMAGSMSN-MSOLQXFVSA-N 448.585 3.661 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)CN1c2ccccc2-c2ccccc2S1(=O)=O 408628339 XCOXJEQSRRJDBB-UHFFFAOYSA-N 436.489 3.678 0 40 IHAB Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4C3=O)c2)cc1C 408666883 TTXBTMOLERTZOK-DODAUVCRSA-N 446.503 3.634 0 40 IHAB O=C(CCCC(=O)OCC(=O)Nc1ccc(F)cc1)Nc1ccc(Br)cc1 408667971 SNZGJDVINJFVAR-UHFFFAOYSA-N 437.265 3.879 0 40 IHAB Cc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccccc3Cl)[C@H]2c2ccc(C)cc2)cc1 409052202 GTBQYFHJIUFXCJ-WSBKAMHLSA-O 432.931 3.973 0 40 IHAB COc1ccc([C@@H]2[C@@H](NC(=O)c3ccc(Cl)cc3)C(=O)N/[N+]2=C\c2ccccc2C)cc1 409061140 WAWGTWMWIKCTCV-VNGKGULCSA-O 448.930 3.673 0 40 IHAB COc1ccccc1-c1nnc(SCc2nnnn2-c2ccc(C(F)(F)F)cc2)n1C 515592919 DLVWLKWSGLEGHX-UHFFFAOYSA-N 447.446 3.778 0 40 IHAB CC(C)n1ncc2cc(CN3CCN(Cc4cnc5c(cnn5C(C)C)c4)CC3)cnc21 522944881 VUQVYFODTLXCQQ-UHFFFAOYSA-N 432.576 3.656 0 40 IHAB CCN1CCN(Cc2scnc2C)CCOc2ccccc2Oc2ncccc2C1=O 643571607 GCYVCWMQPDNVEQ-UHFFFAOYSA-N 438.553 3.996 0 40 IHAB COc1cccc(OCC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccccc2)c1 1129646071 QETYQTSUWXKSRZ-OAQYLSRUSA-N 426.513 3.895 0 40 IHAB COc1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3Br)CC2)cc1OC 660114 LUKHPCZLTXKUFD-UHFFFAOYSA-N 447.329 3.957 0 40 IHAB COc1ccc(OC)c(N(CC(=O)NC2CCCCC2)S(=O)(=O)c2ccc(C)cc2)c1 816977 ZDHMELBESGZNNV-UHFFFAOYSA-N 446.569 3.656 0 40 IHAB O=C(COC(=O)c1cccc(NC(=O)c2cc(=O)[nH]c3ccccc23)c1)c1ccccc1 868212 LTGAZMVTAXTRBU-UHFFFAOYSA-N 426.428 3.820 0 40 IHAB COc1cc(-c2nnc(SCC(=O)N3c4ccccc4C[C@H]3C)o2)cc(OC)c1OC 929531 FCJMPPAXXAMHJK-CYBMUJFWSA-N 441.509 3.832 0 40 IHAB CC(C)c1ccccc1NC(=O)CN(c1ccccc1Br)S(C)(=O)=O 982564 JADVLGHLCAMEQN-UHFFFAOYSA-N 425.348 3.977 0 40 IHAB Cc1ccc(Sc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2Cl)cc1 1266512 XELYSXKSQRBERH-UHFFFAOYSA-N 426.929 3.595 0 40 IHAB C[C@@H](C(=O)Nc1ccc(F)c(F)c1F)N(C)CC(=O)Nc1ccccc1Br 3435116 CYDDWXLHEVNKJP-JTQLQIEISA-N 444.251 3.764 0 40 IHAB CCc1ccc([C@H]2[C@H](C(=O)OCC(C)C)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OCC(C)C)cc1 4615376 FORVXNHYHDOKPJ-XOEOCAAJSA-N 432.557 3.687 0 40 IHAB COCCCn1c(SCC(=O)c2ccc(OC)cc2)nc2sc3c(c2c1=O)CCC3 6904642 PRGJSDMTGIFJPR-UHFFFAOYSA-N 444.578 3.967 0 40 IHAB CC1(C)C(=O)[C@]2(C(=O)Nc3cccc(NC(=O)[C@@]45CC[C@@H](C4)C(C)(C)C5=O)n3)CC[C@H]1C2 8384924 GJPVJXBSUAHXIM-STMSJLSVSA-N 437.540 3.749 0 40 IHAB Cc1cccc(NC(=O)c2ccc(N3CCCCC3)c(S(=O)(=O)N3CCCCC3)c2)n1 8724713 ZPJMEOSRUPCUBC-UHFFFAOYSA-N 442.585 3.807 0 40 IHAB O=C(NCCCO)[C@H]1CCCN(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)C1 8759064 LELVWBSEPJICRH-KRWDZBQOSA-N 439.943 3.564 0 40 IHAB COc1ccc(C)c2sc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)nc12 8897752 SGDZFZMHKBLEQV-OAHLLOKOSA-N 449.529 3.544 0 40 IHAB Cc1ccc(-n2nnnc2S[C@H]2CCCCN(C(=O)c3ccc(Cl)cc3)C2=O)cc1 8899804 QAQGSMWDPBSVLB-SFHVURJKSA-N 441.944 3.938 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1 9063630 CUXLVAPGVPRQBL-UHFFFAOYSA-N 447.576 3.707 0 40 IHAB O=C(O)CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1nc2ccccc2[nH]1 9349082 URMCCZNTALRXHA-QGZVFWFLSA-N 441.285 3.868 0 40 IHAB Cc1csc(=O)n1CC(=O)OCC(=O)Nc1cc(Cl)ccc1Oc1ccccc1 9466477 HDHUJZDJVUFKEG-UHFFFAOYSA-N 432.885 3.846 0 40 IHAB O=C(CNc1ccc(Cl)cc1F)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 9508789 XOVYNNFRJQEJRK-UHFFFAOYSA-N 425.913 3.704 0 40 IHAB CC(C)[C@H](NC(=O)CSc1nnc(-c2cccnc2)o1)c1ccc2c(c1)OCCCO2 9580534 NNPMHCOETKSSME-FQEVSTJZSA-N 440.525 3.899 0 40 IHAB O=C(c1ccco1)N1CCN(C(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)CC1 9591898 HBSYJAYRMYIYAN-UHFFFAOYSA-N 440.503 3.790 0 40 IHAB 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3.527 0 40 IHAB CCOC(=O)c1cccc(NC(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)c1C 10443169 WQQRHMNTTBVIPQ-AWEZNQCLSA-N 438.933 3.618 0 40 IHAB COc1ccc(-c2noc(C3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)n2)cc1 12415233 NBTCWAOSICHROS-UHFFFAOYSA-N 433.917 3.967 0 40 IHAB Cc1nn(Cc2ccccc2)c2sc(C(=O)N3CCN(Cc4ccncc4)CC3)cc12 12543622 VLYASGMGQWYOAS-UHFFFAOYSA-N 431.565 3.808 0 40 IHAB COc1ccc2nc(SCC(=O)N3CCN(Cc4ccc(Cl)s4)CC3)[nH]c2c1 12627463 GPIMOEFNWPVPEY-UHFFFAOYSA-N 436.990 3.723 0 40 IHAB CCN(c1ccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1)C(C)C 12633713 PIMMYJPZXGHIOW-UHFFFAOYSA-N 448.589 3.566 0 40 IHAB COc1ccccc1NC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2Cc1ccccc1 12776687 RRKHQCJIABKRLR-AREMUKBSSA-N 441.487 3.813 0 40 IHAB CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)Nc1ccc(Br)cc1Cl 12884132 RXQNJOULBNLVEM-IBGZPJMESA-N 448.704 3.650 0 40 IHAB CCCN([C@H](C)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)OC)c1 12923187 OWELHXXMUTUFOU-CQSZACIVSA-N 438.933 3.555 0 40 IHAB NC(=O)CSc1ccccc1NC(=O)CN1CCC[C@@H]1c1nc2ccccc2s1 13120221 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Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)c1ccc(Cl)cc1 17144381 ZCHLILCOYMQADN-UHFFFAOYSA-N 430.942 3.868 0 40 IHAB COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C=Cc4ccccc4N2[C@H]3C(=O)C(C)(C)C)cc1 18096041 DWVUYDLNFHGLKI-MYGLTJDJSA-N 430.504 3.700 0 40 IHAB COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@]3(c3ccccc3)N3CCCN23)cc1 19171918 RZUJMYKUMLGNIH-XFAFFCHDSA-N 439.515 3.758 0 40 IHAB COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CCN1CCN(C2CCCCC2)CC1 19372091 YPYUWNOPFTYCJU-UHFFFAOYSA-N 426.561 3.542 0 40 IHAB CCN1CCN(C(=O)Cc2ccc(F)cc2)C[C@@H](Cc2cccc(-c3cccnc3)c2)C1=O 19527546 RPHSJGCAAIAETN-XMMPIXPASA-N 445.538 3.980 0 40 IHAB COc1ccc(-c2ccc(C[C@@H]3CN(C(=O)c4ccccc4OC)CCNC3=O)cc2)cc1 19558340 OAEWGJIVURUAGR-JOCHJYFZSA-N 444.531 3.802 0 40 IHAB CNc1cc(CN(C)C(C)=O)nc([C@H]2CCCCN2Cc2cc3c(cc2OC)CCC3)n1 19709840 SRJLTGWDQQXERN-JOCHJYFZSA-N 437.588 3.721 0 40 IHAB COc1ccccc1NC(=O)c1cnc([C@@H]2CCN(C(=O)c3cc(C(C)C)n[nH]3)C2)nc1C 19766123 DDDDSRZSHROKSF-MRXNPFEDSA-N 448.527 3.522 0 40 IHAB COC(=O)C1=C(C)N(c2ccccc2)C(=O)C[C@@H]1C(=O)Nc1cc(Cl)ccc1OC 19819071 DZMGJMQMTGAYTQ-INIZCTEOSA-N 428.872 3.787 0 40 IHAB O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1)NC1CCCCCCC1 19935498 DWMAJUWVOURLLQ-UHFFFAOYSA-N 428.982 3.732 0 40 IHAB COc1ccc(N([C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)S(C)(=O)=O)cc1Cl 20111003 UEPHVFGOMRQFHG-QWHCGFSZSA-N 428.913 3.520 0 40 IHAB Cn1cccc1[C@H](CNC(=O)C(=O)Nc1ccccc1Cl)N1CCc2ccccc2C1 21155903 YWJAODJAINDHBV-QFIPXVFZSA-N 436.943 3.533 0 40 IHAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)Cn2nnc(-c3ccsc3)n2)cc1 23983002 VFDIROMPZAQTJO-OAQYLSRUSA-N 444.520 3.788 0 40 IHAB COc1ccccc1/C=C/C(=O)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 24750296 QNRQWBKQHICDDQ-DHZHZOJOSA-N 438.915 3.756 0 40 IHAB COC(=O)c1cccc(NS(=O)(=O)c2ccc(SC)c(C(=O)N3CCCCC3)c2)c1 26116914 FPMYPVAQZGAWLY-UHFFFAOYSA-N 448.566 3.622 0 40 IHAB Cc1nc(SCC(=O)Nc2ccc3c(c2)nc2n3CCCCC2)c(C(N)=O)c(C)c1C 26924188 MJTFYYFYCUHICT-UHFFFAOYSA-N 437.569 3.913 0 40 IHAB COc1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3N2C(=O)c2ccccc2OC)cc1 27016789 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COc1ccc(-c2cc(C(=O)NC[C@@H](C)Cn3ccc(C)n3)c3c(C)nn(C)c3n2)cc1 36613402 XIPXRBAVRJOALY-OAHLLOKOSA-N 432.528 3.523 0 40 IHAB O=C(/C=C/c1cc2cccc3c2n(c1=O)CCC3)N1CCN(c2cccc(Cl)c2)CC1 36625767 ISFHQNNFPJLDHI-MDZDMXLPSA-N 433.939 3.963 0 40 IHAB CC[C@@H](NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1)c1ccc(C)cc1C 44856740 FGPCQQMGQFZVGT-YLJYHZDGSA-N 436.961 3.751 0 40 IHAB Cc1ncc(CN(C)C(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)s1 48280247 OFLLGGOEUUHCBA-UHFFFAOYSA-N 430.555 3.941 0 40 IHAB CCc1cccc(NC(=O)Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3ccccc32)c1 51357828 CCBMROFIQWXQES-UHFFFAOYSA-N 431.467 3.552 0 40 IHAB CCCC[C@H](c1nnnn1C[C@H]1CCCO1)N1CCN(c2nc3ccccc3s2)CC1 57670407 JEFGPYFULQYDPK-IEBWSBKVSA-N 441.605 3.515 0 40 IHAB COc1ccc(NC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)cc1NC(=O)OC(C)(C)C 57991860 CDEFTNHJGVVCHY-INIZCTEOSA-N 446.548 3.909 0 40 IHAB NC(=O)[C@H](NC(=O)c1cc(-c2cccc(Cl)c2)on1)c1cccc(Br)c1 59007749 AWXYRRMSMOZBAT-MRXNPFEDSA-N 434.677 3.714 0 40 IHAB CC(C)Cc1nc2c3ccccc3n(CC(=O)c3ccc(Br)cc3)c(=O)n2n1 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CCCCN(C)c1ncc(Cl)c(C(=O)N2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)n1 78935107 XFVBHBNJKUILBU-OAHLLOKOSA-N 439.988 3.838 0 40 IHAB CN(CC1CCN(C[C@H](O)c2ccccc2)CC1)C(=O)Cc1ccc(Br)cc1 79026024 MOCNJUPTLZQSJA-QFIPXVFZSA-N 445.401 3.896 0 40 IHAB COc1ccc(-c2nc(CN3CCN(c4ccccc4S(C)(=O)=O)CC3)cs2)cc1 83952321 BZUXAGDXWVAQDM-UHFFFAOYSA-N 443.594 3.544 0 40 IHAB O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)NCCCN1CCCC1=O 89851071 AUWUMLPMXQNYQC-UHFFFAOYSA-N 434.565 3.965 0 40 IHAB COc1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3cccc4[nH]ccc34)cc2)cc1 95477095 USGPDSHPHQLGNB-UHFFFAOYSA-N 435.505 3.907 0 40 IHAB O=C(c1ccc(-n2cnnc2)cc1)N1CCC(Oc2cccc(Br)c2)CC1 95940340 PQPDLIVRMLOUFX-UHFFFAOYSA-N 427.302 3.713 0 40 IHAB CCN1C(=O)[C@H]2[C@@H](C(=O)c3ccc(-c4ccccc4)cc3)N3N=Cc4ccccc4[C@@H]3[C@@H]2C1=O 100690788 OGSVCVZBYHYNOJ-VPBXCIAMSA-N 449.510 3.930 0 40 IHAB CCOC(=O)Cn1/c(=N/C(=O)c2ccc(OC)c(OC)c2)sc2c(C)cc(C)cc21 100910541 OAIFTDXIXFNEBI-FCQUAONHSA-N 428.510 3.641 0 40 IHAB O=C(Nn1c(S)nc2ccccc2c1=O)c1ccc(COc2ccccc2Cl)o1 102443055 GXXNHWFZCZXWMF-UHFFFAOYSA-N 427.869 3.895 0 40 IHAB CC(=O)Nc1ccc([C@@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 102767824 RDKFKJJETCYGCY-WXFUMESZSA-N 441.487 3.692 0 40 IHAB CN(c1cccc(NC(=O)COc2ccc(Cl)cc2Br)c1)S(C)(=O)=O 218853859 QYUCNRNAAMGMDU-UHFFFAOYSA-N 447.738 3.516 0 40 IHAB CCc1ccc(N([C@H](C)C(=O)Nc2ccc(Br)cc2)S(C)(=O)=O)cc1 220262757 BMPIKJJZPNDBMU-CYBMUJFWSA-N 425.348 3.805 0 40 IHAB CC[C@@H](C(=O)N[C@H](CC)c1ccc(OC)c(OC)c1)N(c1cccc(C)c1)S(C)(=O)=O 220526519 CHENSKWSQKGLIA-UXHICEINSA-N 448.585 3.824 0 40 IHAB CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(Br)c(C)c1 222384408 DGJKFHXTCHEASL-INIZCTEOSA-N 433.346 3.608 0 40 IHAB O=C([C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1)N1CCOc2ccccc21 222553538 HBAPWAVMUHOLLM-FQEVSTJZSA-N 436.533 3.666 0 40 IHAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N(C)c2ccc(C)c(C)c2)C1 222626007 QNXLBTHZDMWBFG-QGZVFWFLSA-N 434.533 3.515 0 40 IHAB CSc1ccccc1NC(=O)c1cnc(CN(C)S(=O)(=O)c2ccc(C)cc2)nc1 223384650 APOXZBMVZPBHPZ-UHFFFAOYSA-N 442.566 3.580 0 40 IHAB Cc1ccc(N(CC(=O)NCCOc2ccc3ccccc3c2)S(C)(=O)=O)cc1Cl 223592947 TYLWHCGXSRSPMS-UHFFFAOYSA-N 446.956 3.763 0 40 IHAB COc1ccc(N(CCCC(=O)NC[C@@H](C)c2ccccc2)S(C)(=O)=O)cc1Cl 224051919 UUMZDRZHLKFKSQ-MRXNPFEDSA-N 438.977 3.815 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(OCc3ccccc3)cc2)cc1 224861642 INGYJRSONXQAEA-UHFFFAOYSA-N 427.478 3.554 0 40 IHAB O=S(=O)(NC[C@](O)(c1ccsc1)c1cccs1)c1ccccc1OC(F)(F)F 253409140 ZNWUKBUKZKLXIR-INIZCTEOSA-N 449.497 3.923 0 40 IHAB CC1(C)Oc2c(O)cccc2[C@H]2O[C@H]3CCN(Cc4ccccc4OCC(=O)O)[C@H]3C[C@@H]21 257244772 IMROCMINRZZZOO-ZVEOBBNSSA-N 439.508 3.747 0 40 IHAB COC(=O)c1ccc(NC(=O)c2ccc(NC(=O)c3ccc(OC)c(OC)c3)cc2)cc1 408683987 NWYCQOMYIBEINO-UHFFFAOYSA-N 434.448 3.995 0 40 IHAB COc1cc(C(=S)N2CCN(c3ccc(F)cc3)CC2)cc(Br)c1O 409225749 KSZUNAXDEDHBOY-UHFFFAOYSA-N 425.323 3.800 0 40 IHAB COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2CCC[C@@H](C(N)=O)C2)c(OC)c1 513052427 SSSVCFPNXRIPGK-MRXNPFEDSA-N 435.524 3.509 0 40 IHAB Cc1ccccc1-c1nc(C(=O)N2CCOC[C@@H]2c2ncnn2-c2ccccc2)cs1 560126842 VKANVVLPZPYYBQ-HXUWFJFHSA-N 431.521 3.913 0 40 IHAB C[C@@]1(c2cccc(-c3noc(-c4cccc5c6c([nH]c45)CCCC6)n3)c2)NC(=O)NC1=O 569409078 MRLYRYUBHGOFSG-DEOSSOPVSA-N 427.464 3.818 0 40 IHAB Cc1cccc(C2(C(=O)N3CCC[C@@H](NS(=O)(=O)c4cccc(F)c4)C3)CCC2)c1 591295564 WORDKBFPGWNZMU-HXUWFJFHSA-N 430.545 3.525 0 40 IHAB CC1CCN(CC(=O)N2CCCCN(C)C(=O)c3cc(Cl)ccc3OCCC2)CC1 643558135 JVJHTVSHCOQFBA-UHFFFAOYSA-N 435.996 3.535 0 40 IHAB Cc1cccc(Cn2c(SCc3ccccc3Cl)nc3c2c(=O)[nH]c(=O)n3C)c1 678144 AOCHUNQIEDKKDL-UHFFFAOYSA-N 426.929 3.726 0 40 IHAB biogenic,in-vitro CCOC(=O)c1ccc(N2C[C@@H](C(=O)O[C@@H](C)C(=O)c3ccc(Cl)cc3)CC2=O)cc1 993312 LLEWEBVHCCNZHP-YOEHRIQHSA-N 443.883 3.684 0 40 IHAB CSC[C@H](NC(=O)Cc1c(C)c2cc3c(C(C)(C)C)coc3c(C)c2oc1=O)C(=O)O 2123343 JSOUYHCHMXHZSY-KRWDZBQOSA-N 445.537 3.928 0 40 IHAB biogenic COc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1OC 2418688 GHYGWTPQHWSGBY-BTYIYWSLSA-N 439.439 3.674 0 40 IHAB COc1ccccc1-n1c(SCC(=O)Nc2ccccc2)nc2c(c1=O)SCC2 2719813 IMRLOEPOMOLPBU-UHFFFAOYSA-N 425.535 3.620 0 40 IHAB O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)Nc1ccc(Cl)cc1C(F)(F)F 3348127 JPDBDADPKJVSPT-IBGZPJMESA-N 437.805 3.691 0 40 IHAB COc1ccccc1[C@H]1C(C(N)=O)=C(C)N=C2N=C(SCc3ccccc3Cl)NN21 4176660 MDTYPKAWDRPKQW-SFHVURJKSA-N 441.944 3.628 0 40 IHAB COC(OC)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 6904321 GMCHMIAPWREGBP-FPAXGFGJSA-N 425.484 3.856 0 40 IHAB O=C(N[C@H]1CCN2C(=O)c3cc(/C=C/c4ccccc4)ccc3NC(=O)[C@H]12)C1CCCC1 8296824 IFJYKHRQTSEKCB-TZFKZXSBSA-N 429.520 3.699 0 40 IHAB biogenic,in-vitro O=C(CN1CCC[C@@H](c2nc3ccccc3s2)C1)Nc1ccc(N2CCOCC2)cc1 8720557 ZZDWNRGFXARGMC-GOSISDBHSA-N 436.581 3.951 0 40 IHAB COc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)c1OC 9233437 PSQODMBLCOTQSA-WOJGMQOQSA-N 426.494 3.996 0 40 IHAB COc1ccccc1OCCSc1nnc(CC(=O)Nc2ccc(Cl)cc2)n1C 9262174 CRKJNHMLUOUSNW-UHFFFAOYSA-N 432.933 3.829 0 40 IHAB Cn1c(-c2c(N)n(CCCN3CCCC3=O)c3nc4ccccc4nc23)nc2ccccc21 9447377 FSJKSNIMQLDWCF-UHFFFAOYSA-N 439.523 3.733 0 40 IHAB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(C)=O)cc1 9632420 WKYPVIUHZXIYJH-UHFFFAOYSA-N 438.505 3.975 0 40 IHAB COc1ccc(C(=O)Nc2cc(C)nn2-c2ncnc3c2cnn3-c2ccc(F)cc2)cc1 9661190 SYAGNPNOIBTCRY-UHFFFAOYSA-N 443.442 3.710 0 40 IHAB C[C@H]1CCc2nc(NC(=O)[C@@H]3CCCCN3S(=O)(=O)c3cccs3)sc2C1 9663902 UPEUVEYJBVAJIC-JSGCOSHPSA-N 425.601 3.511 0 40 IHAB O=C(CNS(=O)(=O)/C=C/c1ccccc1)NCc1ccc(-c2ccc(Cl)cc2)o1 9669893 DZEWAROMXAWBRD-OUKQBFOZSA-N 430.913 3.807 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2CNC(=O)c2ccc(C(F)(F)F)cc2)c1 9807239 QVKPBYVBSQXAEU-GOSISDBHSA-N 440.487 3.905 0 40 IHAB Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)c2ccc(-n3cccn3)cc2)c1C 9816634 VKVWXYXCOYZLPJ-JOCHJYFZSA-N 432.524 3.749 0 40 IHAB CC(=O)c1cccc(N(CC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c1 10111959 HUHVWXCMOFZNOK-INIZCTEOSA-N 430.570 3.830 0 40 IHAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)COC(=O)c1sc(C)nc1C 10142878 QOUJQKYWRXMYGM-UHFFFAOYSA-N 432.420 3.599 0 40 IHAB Cc1ccc(NC(=O)CCc2nnc(S[C@H](C)C(=O)Nc3nc(C)cs3)n2C)cc1 10158317 JLRVBKPTNRWFQQ-CQSZACIVSA-N 444.586 3.579 0 40 IHAB CCOc1ccc(NC(=O)[C@@H](C)N(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)cc1 10433841 LWURBKGDIQCJJG-CYBMUJFWSA-N 426.922 3.541 0 40 IHAB C[C@]1(c2ccc(F)c(F)c2)NC(=O)N(CC(=O)NC2c3ccccc3-c3ccccc32)C1=O 11583973 VSZQVSZAVRQLRR-RUZDIDTESA-N 447.441 3.618 0 40 IHAB CC(C)c1cc(C(=O)N[C@H]2CC(C)(C)Cc3nc(N4C[C@@H](C)O[C@H](C)C4)ncc32)no1 12240958 SJHRWJPRWGFDNT-RKVPGOIHSA-N 427.549 3.645 0 40 IHAB Cc1ccc([C@@H](NCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)c2ccccc2)cc1 12567544 HCFZGPZUQGNCMC-NOZRDPDXSA-N 440.609 3.632 0 40 IHAB Cc1ccc(C)c([C@H](C)NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Br)c1 12775456 BNOYBOPAMJKIKG-AWEZNQCLSA-N 439.375 3.807 0 40 IHAB CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)[C@H](C)NC(=O)OCc1ccccc1 12776822 JDHGEFXHMATZRL-INIZCTEOSA-N 431.920 3.750 0 40 IHAB COc1ccc2cc(COC(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)c(Cl)nc2c1 12794255 PVFTWKXNNKSFGU-UHFFFAOYSA-N 441.292 3.555 0 40 IHAB CCN(C(=O)CSc1nc2cc(C(=O)OC)ccc2c(=O)n1CC(C)C)C1=CCCC1 12796656 DXPLIXARJIBDFZ-UHFFFAOYSA-N 443.569 3.848 0 40 IHAB COCCNC(=O)c1c(NC(=O)CSc2nc3ccccc3o2)sc2c1CCCC2 12871541 DETVSQGXVWHGEP-UHFFFAOYSA-N 445.566 3.875 0 40 IHAB CCOc1cc2c(cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1)O[C@@H](C)C2 12919895 OZMWVSIPEZZJNT-LBPRGKRZSA-N 438.933 3.565 0 40 IHAB COc1cc(C(=O)Nc2ccc(Nc3ccc(-n4cccn4)nn3)cc2)cc(OC)c1OC 13009553 NXCMFMDJQMPPPG-UHFFFAOYSA-N 446.467 3.684 0 40 IHAB O=C(COC(=O)c1cc(C2CC2)nc2ccccc12)c1cc2c3c(c1)CC(=O)N3CCC2 13016580 XCZFIDDQHSGQTB-UHFFFAOYSA-N 426.472 3.987 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)N2CCC[C@@H](C)C2)c2ccc(Cl)cc2)cc1 13669396 SVGZTAGWGAHZRH-MRXNPFEDSA-N 436.961 3.802 0 40 IHAB CCCOc1ccc2ccccc2c1CN(C)C(=O)CNC(=O)c1ccc2c(c1)OCO2 14185855 XQLZXKPSXZBKHA-UHFFFAOYSA-N 434.492 3.746 0 40 IHAB Cc1ccc(C)c(OC[C@H](O)Cn2c(CC(=O)NCc3ccccc3)nc3ccccc32)c1 14290512 XZNFQWPRZTZILU-JOCHJYFZSA-N 443.547 3.952 0 40 IHAB COC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)cc1 14467692 GFVBDUGYVFYLAQ-UHFFFAOYSA-N 436.917 3.554 0 40 IHAB CCOc1ccc2nc(Nc3nc(CSc4nnc(C)s4)cc(=O)[nH]3)nc(C)c2c1 15978607 SFHLJUONCMCFPX-UHFFFAOYSA-N 441.542 3.616 0 40 IHAB COc1ccc(-c2cc3c(SCC(=O)NCc4ccccc4OC)nccn3n2)cc1 16841151 XRGAIDKFGKVHHR-UHFFFAOYSA-N 434.521 3.822 0 40 IHAB COc1ccccc1[C@@H]1C(C(=O)Nc2cccnc2)=C(C)Nc2nc(-c3ccncc3)nn21 17243941 DRUUQQUBVVBQJQ-OAQYLSRUSA-N 439.479 3.671 0 40 IHAB C[C@H](NC(=O)Cc1nnc(S)n1Cc1ccccc1)c1ccccc1Br 17965010 ACALPQSUXWMQGM-ZDUSSCGKSA-N 431.359 3.798 0 40 IHAB CC[C@H](C)[C@@H](C(=O)OCc1nc(-c2ccc(F)cc2)no1)N1C(=O)c2ccccc2C1=O 18363074 JBLVBDDEGYYHOH-DJJJIMSYSA-N 437.427 3.630 0 40 IHAB O[C@H](CN1CCC2(CC1)C[C@@H](O)c1ccc3ccccc3c1O2)c1ccc2c(c1)OCCO2 19376357 NXMDEXAUBWOWBC-DHIUTWEWSA-N 447.531 3.995 0 40 IHAB COCCc1ncc(CN2CCC(c3nc(NC(C)C)ncc3-c3cccnc3)CC2)cn1 19450346 IWQKXPMAQKTDIS-UHFFFAOYSA-N 447.587 3.717 0 40 IHAB C[C@H](C(=O)N1CCC[C@@](Cc2ccccc2-c2cncnc2)(C(N)=O)C1)c1ccccc1 19459153 NIOAJCDPGAQZJY-SIBVEZHUSA-N 428.536 3.584 0 40 IHAB CCNC(=O)[C@]1(Cc2ccc(-c3cccc(C)c3)cc2)CN(C(=O)c2ccncc2)CCO1 19529305 FMQZWAVKKWQSBV-MHZLTWQESA-N 443.547 3.647 0 40 IHAB CNC(=O)c1ccc(-c2ccc(C3CCN(C(=O)c4cccc(OC)c4)CC3)nc2)cn1 19689044 VIYXINIQSUVCBJ-UHFFFAOYSA-N 430.508 3.532 0 40 IHAB COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2CCN(C(=O)CCCc3ccccn3)C2)cc1 19695064 MMBAKCOTZXVITG-HXUWFJFHSA-N 445.567 3.952 0 40 IHAB COc1ccc(CCC(=O)N2CC[C@@H](c3c(C(=O)N(C)C)sc4ncccc34)C2)cc1 19702460 DHBBQQZVROBARD-QGZVFWFLSA-N 437.565 3.955 0 40 IHAB CCOc1ccccc1CNC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 19932511 QPLMKPKBOSBBBZ-UHFFFAOYSA-N 442.512 3.736 0 40 IHAB COC(=O)c1ccc2nc(NC(=S)NC(=O)c3ccc(OC(C)C)cc3)sc2c1 20412458 DRQBXHSJOQJUDP-UHFFFAOYSA-N 429.523 3.997 0 40 IHAB COc1cc(S(=O)(=O)Nc2ccccc2C)ccc1S(=O)(=O)Nc1ccccc1C 20418910 UTILSSKCEUEGPW-UHFFFAOYSA-N 446.550 3.914 0 40 IHAB CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(OCC(=O)NC2CCCCC2)cc1 22232464 TZEIZIZNZGCSOQ-UHFFFAOYSA-N 434.533 3.620 0 40 IHAB Cc1ccc(C)c([C@H](C)NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)c1 22331813 LZFDMSCXRHERLR-HNNXBMFYSA-N 439.375 3.709 0 40 IHAB Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCCN(CC(=O)NC(C)(C)C)CC2)cc1 22801161 VQYNXKNAWZDBRV-DEOSSOPVSA-N 436.600 3.597 0 40 IHAB COc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2c(C)nc3sccn23)n1C 23141454 JJRKKLVFSYIDOX-UHFFFAOYSA-N 448.961 3.893 0 40 IHAB Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)NCc1ccccc1CN1CCOCC1 23882920 FNDGWFRYDBFVAJ-UHFFFAOYSA-N 449.599 3.710 0 40 IHAB Cc1nnc(COC(=O)c2cc(S(=O)(=O)N3CCCc4ccccc43)ccc2Cl)o1 24908393 YONIQQUTZWFZIL-UHFFFAOYSA-N 447.900 3.530 0 40 IHAB NS(=O)(=O)c1ccc(NC(=O)CCN2c3ccccc3Sc3ccccc32)cc1 27672491 GWJJREZURIZJQZ-UHFFFAOYSA-N 425.535 3.966 0 40 IHAB C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)NCc1ccc(C(F)(F)F)cc1 30586820 UGXQBCUWMPYXPH-JOCHJYFZSA-N 445.441 3.711 0 40 IHAB O=C(Nc1ccc(OC(F)(F)F)cc1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 31552230 VXLOINBIAVHNOU-AWEZNQCLSA-N 428.432 3.625 0 40 IHAB COc1ccc(-c2noc(CNc3ccc(C)c(S(=O)(=O)N4CCCCC4)c3)n2)cc1 32759359 QKYZRYYNHXOEAS-UHFFFAOYSA-N 442.541 3.840 0 40 IHAB Cc1ccc2c(c1)CCCN2[C@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 32797222 KGENYLWKXOIYMS-OAHLLOKOSA-N 435.977 3.679 0 40 IHAB O=C(NCc1ccc(N2CCCCCC2)nc1)c1cccc(CN2C(=O)CSC2=O)c1 48263060 HBCKTDFWJMCJMD-UHFFFAOYSA-N 438.553 3.587 0 40 IHAB COc1cccc(Cn2c(SCC(=O)N3CCC(C)CC3)nc3ccsc3c2=O)c1 57426148 ZYRCGVAUUASBSB-UHFFFAOYSA-N 443.594 3.866 0 40 IHAB COC(=O)c1cccc(NC(=O)N[C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)c1 58010183 KJNOSPYMEFGHBB-GOSISDBHSA-N 449.429 3.977 0 40 IHAB CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC(=O)Nc1c(C)cc(C)cc1C 58354900 DEBKBUIFOPSJGZ-VGOFRKELSA-N 435.568 3.666 0 40 IHAB COc1ccc([C@H](C)NC(=O)c2nnn(-c3cccc(OC)c3)c2-c2ccncc2)cc1 67261812 UQKSCJHEEXDODX-INIZCTEOSA-N 429.480 3.838 0 40 IHAB COc1ccccc1[C@@H](CNC(=O)c1cccc(NC(=O)c2cccnc2)c1)N1CCCC1 70010988 WHRGSGGJWIGBGC-HSZRJFAPSA-N 444.535 3.909 0 40 IHAB Cn1cc(C(=O)NC2CCN(C(=O)c3cc4c(s3)CC[C@@H](C(C)(C)C)C4)CC2)cn1 71917594 BZSZENKDXDSTKG-QGZVFWFLSA-N 428.602 3.667 0 40 IHAB CN1CCN(c2ccc(Br)cc2NS(=O)(=O)c2cccc(Cl)c2)CC1 72270844 SBFFMAZYXKUTDG-UHFFFAOYSA-N 444.782 3.655 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NS(=O)(=O)c1ccc(Cl)cc1 89646978 GZSZQXANMYFHPK-UHFFFAOYSA-N 428.963 3.624 0 40 IHAB CCOC(=O)C1=C(CN2CCC(Cc3ccccc3)CC2)NC(=O)N[C@H]1c1ccccc1 95100961 SPKITCROTAQRDY-DEOSSOPVSA-N 433.552 3.812 0 40 IHAB CC(C)(C)[C@H](NCc1csc(COc2ccccc2)n1)c1nc(-c2nc[nH]n2)no1 95432573 PYXBROMJUONURA-MRXNPFEDSA-N 425.518 3.767 0 40 IHAB C[C@H](CN(Cc1ccccc1)C(=O)c1cn(-c2ccc(Br)cc2)cn1)C(=O)O 95463862 XEWXYTKTAIHZLS-OAHLLOKOSA-N 442.313 3.998 0 40 IHAB COc1ccc([C@@H]2[C@H](C(=O)NCC(=O)c3ccccc3)c3ccccc3C(=O)N2C)cc1 95478409 OYZDWPYZUCVBHO-DNQXCXABSA-N 428.488 3.605 0 40 IHAB C[C@@]12CC[C@H](C[C@@H]1C(=O)N1CC[C@H](O)[C@H]3CCCC[C@@H]31)[C@]1(C2)NC(=O)c2ccccc2N1 100116007 YQJQGTKZTQTWNK-ZHUDGIASSA-N 437.584 3.517 0 40 IHAB COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NCCCn4ccnc4)c3N2)cc1 100594839 VNWPAHHRXQZSNJ-MSOLQXFVSA-N 448.449 3.569 0 40 IHAB C[C@@H](OC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1)C(=O)c1ccccc1 100751091 ZJKKXFCDMACDCE-QPOLMMIQSA-N 441.483 3.672 0 40 IHAB COC(=O)CNC(=O)CC1=C(C)/C(=C\c2ccc([S@@](C)=O)cc2)c2ccc(F)cc21 101466754 FAKIKUAUYLHICP-OJABSEHMSA-N 427.497 3.570 0 40 IHAB CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cccnc4)[C@H]3C2=O)cc1 102725444 CGDNNSCPXPIDBQ-XPWALMASSA-N 429.476 3.922 0 40 IHAB COc1ccc(CN(C)C(=O)C2=C(c3ccccc3)c3ccccc3N(C)S2(=O)=O)cc1 219177618 OWMSOSRRFGGVCV-UHFFFAOYSA-N 448.544 3.893 0 40 IHAB COc1ccc([C@H](CC(C)C)NC(=O)[C@H](C)N(c2ccccc2F)S(C)(=O)=O)cc1 220318027 JOBHHVSUIUJNOA-JXFKEZNVSA-N 436.549 3.892 0 40 IHAB CC[C@H](C(=O)NCc1ccccc1OC)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 220701961 OSQYBFYUBYAXNC-QGZVFWFLSA-N 445.368 3.863 0 40 IHAB CC[C@H](C(=O)N1CCCc2ccccc21)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 220751301 UFTUBZVUPONFMH-GOSISDBHSA-N 436.961 3.873 0 40 IHAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(C)cc1 222588864 ZGYOORKJGMTDGR-DEOSSOPVSA-N 434.511 3.899 0 40 IHAB COc1ccccc1[C@H](C)NC(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O 222755241 ZJXBOJRXRBYIAU-LBPRGKRZSA-N 431.341 3.645 0 40 IHAB CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN1C(=O)c2cccc3cccc1c23 223037347 ARJFCVDCMIPYAO-OAQYLSRUSA-N 429.520 3.662 0 40 IHAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc2c(c1)OCCO2 223279715 WHNJZZLWLHMDIX-GOSISDBHSA-N 442.531 3.863 0 40 IHAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-n1cnnc1 223374839 RWUWRMVFHIYEBJ-FGZHOGPDSA-N 429.553 3.576 0 40 IHAB CCc1ccc(OCCNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1 223664911 UTDVTYABOPNFQL-UHFFFAOYSA-N 445.368 3.517 0 40 IHAB COc1cccc(CN(C(=O)COc2cc(C)ccc2C)[C@H](C)C(=O)NCC(C)C)c1 224444783 VHTCBFOGAROAJY-HXUWFJFHSA-N 426.557 3.880 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCCc1ccc(Cl)cc1)c1ccc(Cl)cc1 224631787 OPGSNKNMWGNITJ-UHFFFAOYSA-N 429.369 3.899 0 40 IHAB COc1ccc(Br)cc1S(=O)(=O)N[C@H](C)COc1ccc(C)c(C)c1 224849865 BNGCXYCEKAFGIS-CQSZACIVSA-N 428.348 3.820 0 40 IHAB CS(=O)(=O)N(CC(=O)N(Cc1ccccc1)Cc1ccccc1)Cc1ccccc1F 225612840 ZMIVQJRGEQVTDE-UHFFFAOYSA-N 440.540 3.816 0 40 IHAB Cc1nc2c(c(N3CCC(NC(=O)c4sc(-n5cccc5)nc4C)CC3)n1)CCCC2 225738324 TXRNHOOBDZRULX-UHFFFAOYSA-N 436.585 3.618 0 40 IHAB O=C(NC[C@](O)(c1ccsc1)c1cccs1)C(=O)Nc1ccccc1C(F)(F)F 253406797 UYGWXPKTJLAJSY-SFHVURJKSA-N 440.468 3.819 0 40 IHAB Cc1cc(C)nc(NCCC(=O)N2CCO[C@@H](c3cccc(Cc4ccc(F)cc4)n3)C2)n1 257216919 CWQWSBYCOJRFAP-HSZRJFAPSA-N 449.530 3.620 0 40 IHAB Cc1cc(-c2cn(C)nc2[C@H]2CC[C@H](CNC(=O)c3ccc4c(c3)OCCO4)CC2)on1 257247933 JBFMEFDYRKLJMO-QAQDUYKDSA-N 436.512 3.859 0 40 IHAB Cc1cc(N(C)C)nc([C@@]2(C)CCCN(C(=O)c3cccc(Nc4ncccn4)c3)C2)n1 257275529 NPTZWSFYEPXZGX-DEOSSOPVSA-N 431.544 3.579 0 40 IHAB c1ccc2c(c1)OC1(CCN(Cc3ccncc3)CC1)c1cnn(CCN3CCCC3)c1-2 306129554 IGUVZISKUUWPNS-UHFFFAOYSA-N 429.568 3.925 0 40 IHAB O=C(NC1CCCC1)C1=NO[C@]2(C1)CN(Cc1ccccc1)CC[C@H]2NCc1ccccc1 306136385 PSBPBXABMBDRSF-XNMGPUDCSA-N 446.595 3.625 0 40 IHAB Cc1ccc(CC(=O)N2CCN(C)[C@@H](c3ncn4cc(-c5cccnc5)ccc34)C2)cc1 306142799 XKGWFJUJTABJGL-XMMPIXPASA-N 425.536 3.763 0 40 IHAB Cc1cc(C)cc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)c1 408661780 OKUSQOCWBULAEB-SFTDATJTSA-N 432.476 3.555 0 40 IHAB COc1cccc(OC)c1C(=O)Nc1ccc2sc(C(=O)N3CCOCC3)cc2c1 408713398 WUAIHPFHGWCRGB-UHFFFAOYSA-N 426.494 3.643 0 40 IHAB COc1cc(C(=O)N2CCC(C(=O)Nc3ccccc3Cl)CC2)cc(OC)c1OC 409023828 RGRGVBFNJPWMMF-UHFFFAOYSA-N 432.904 3.857 0 40 IHAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cnc2scc(C)n2c1=O 505504356 CSZGPQHSQTYVSD-UHFFFAOYSA-N 431.477 3.869 0 40 IHAB CC(=O)Nc1ccc(-c2cnc3n2CCN(C(=O)CCOc2ccc(F)cc2)CC3)cc1 585111533 UPSIKQURQWBNFR-UHFFFAOYSA-N 436.487 3.501 0 40 IHAB CC(C)(C)OC(=O)N1CC[C@H](Oc2cccc(-c3noc(C(F)(F)F)n3)c2)[C@@](C)(O)C1 585265624 MLNHRAJWKSANQB-LIRRHRJNSA-N 443.422 3.895 0 40 IHAB C[C@@H]1CN(C(=O)c2cccc(Nc3nn[nH]n3)c2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 1141359092 NWHSABCHZCPBFC-PXAZEXFGSA-N 432.406 3.564 0 40 IHAB O=C1c2sc3nc4n(c(=O)c3c2CCC1(Br)Br)CCCCC4 728253 KEFDKJYKLQDTQF-UHFFFAOYSA-N 446.164 3.799 0 40 IHAB COCCn1c(SCC(=O)c2ccccc2Br)nnc1-c1ccncc1 3303318 AUPAXMJOKVEVIU-UHFFFAOYSA-N 433.331 3.724 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(Cc4ccccc4)CC3)CC2)cc1 3376969 KFMUOSXDSOOQGT-UHFFFAOYSA-N 440.609 3.877 0 40 IHAB Cc1nc(COC(=O)/C=C/c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)cs1 3417263 VRTVYGAVISTQMD-DHZHZOJOSA-N 440.546 3.960 0 40 IHAB O=C(Cc1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 3556676 ZKCOVKAPYVGJSY-UHFFFAOYSA-N 428.941 3.569 0 40 IHAB CCOCCCn1c(SCC(=O)c2[nH]c(C)c(C(C)=O)c2C)nc2ccccc2c1=O 3587962 CPXJRMZHGBKROO-UHFFFAOYSA-N 441.553 3.946 0 40 IHAB COc1ccc(-n2c(S[C@@H](C)C(=O)NC(C)C)nnc2[C@@H](C)N2CCCCC2)cc1 8132733 DNMRWDXJIFDNDT-SJORKVTESA-N 431.606 3.828 0 40 IHAB Cc1cc(C)c(S(=O)(=O)NC[C@H](c2ccco2)S(=O)(=O)c2ccccc2)c(C)c1 8601837 KUSPASLHVJHYND-HXUWFJFHSA-N 433.551 3.698 0 40 IHAB COc1ccc(NC(=O)c2ccc3ccccc3n2)cc1S(=O)(=O)N1CCCCC1 8774526 HJRHRJLGXAWXFI-UHFFFAOYSA-N 425.510 3.670 0 40 IHAB O=C(CSc1nnc(COc2ccccc2Cl)n1C1CC1)NC(=O)NC1CCCC1 8922450 JUUUNEPJBLJKLL-UHFFFAOYSA-N 449.964 3.706 0 40 IHAB CCOc1ccc(C(=O)N2CCC(Nc3ncnc4c3cnn4-c3ccccc3)CC2)cc1 9498904 NTGBLRJRDCSJJF-UHFFFAOYSA-N 442.523 3.931 0 40 IHAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)OCc1ccc(Br)cc1)C2=O 9591796 DAMMLSAOMKIECX-ZUOKHONESA-N 437.334 3.629 0 40 IHAB CCn1c(SCC(=O)Nc2ccc(OC)c(OC)c2)nc2c(oc3ccccc32)c1=O 9752181 LJZUWPMAGPECLX-UHFFFAOYSA-N 439.493 3.911 0 40 IHAB Cc1ccc(NC(=O)Cn2cc(S(=O)(=O)c3ccccc3)c(=O)c3ccccc32)cc1 9856892 KMHZWAVQKPUMJM-UHFFFAOYSA-N 432.501 3.781 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(NC(=O)COc3ccc(C(C)(C)C)cc3)CC2)cc1 10566244 ZJYVODDEFXWKQI-UHFFFAOYSA-N 444.597 3.641 0 40 IHAB C[C@H](NCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc2c(c1)CCCC2 12874418 UPUKJDKOSYZBCD-SFHVURJKSA-N 441.597 3.639 0 40 IHAB COc1cc(NS(=O)(=O)c2cc(C(=O)O)c(Cl)cc2Cl)cc(OC)c1OC 13264869 BDRPVKZJYHGZJL-UHFFFAOYSA-N 436.269 3.518 0 40 IHAB CCOC(=O)c1ccc(C)c(NC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c1 13670871 RWHPJFLOZWEZBA-UHFFFAOYSA-N 446.569 3.874 0 40 IHAB COc1ccc(CCC(=O)Nc2nnc([C@H]3CC(=O)N(c4ccc(C)cc4)C3)s2)cc1 13944630 BZURLQYUWMFHMA-KRWDZBQOSA-N 436.537 3.947 0 40 IHAB Cc1ccc(CSCCNC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)cc1 14153355 BFXVMFDYQXAXAC-UHFFFAOYSA-N 444.981 3.603 0 40 IHAB CCOc1ccc(NS(=O)(=O)c2cc(NC(C)=O)ccc2C)cc1Br 15898461 UHMORKQYRLTKFL-UHFFFAOYSA-N 427.320 3.915 0 40 IHAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O 17162252 SVCYQULFGCRADS-UKRRQHHQSA-N 440.521 3.615 0 40 IHAB Cc1ccc(C(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)CCN(Cc2ccccc2F)C3)cc1 19135290 CXDSKJUDHOXGLP-QHCPKHFHSA-N 446.526 3.753 0 40 IHAB CCCN1CCN(C(=O)c2nccn2C)C[C@H](Cc2ccc(-c3ccccc3)cc2)C1=O 19502733 GCUVVVRJDXOPBV-QHCPKHFHSA-N 430.552 3.640 0 40 IHAB CCN1CCN(C(=O)c2ccccc2OC)C[C@@H](Cc2cccc(-c3ccncc3)c2)C1=O 19527590 QIBUMNPOIIVKTF-HSZRJFAPSA-N 443.547 3.920 0 40 IHAB COc1ccc(OC)c(CN2CCNC(=O)[C@@H](Cc3cccc(-c4cccnc4)c3)C2)c1 19551609 VWLSYQCBMSQCBK-QHCPKHFHSA-N 431.536 3.557 0 40 IHAB Cc1sc2nc(C)n(C3CCN(C(=O)c4cc(C(C)(C)C)nn4C)CC3)c(=O)c2c1C 19561214 KAXCISMJZNFIAJ-UHFFFAOYSA-N 441.601 3.892 0 40 IHAB CCOC(=O)[C@]1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCCN(Cc2cncn2CC)C1 19578628 OHAJZVVXTJCKQX-QPPBQGQZSA-N 442.535 3.771 0 40 IHAB COc1cccc(C(=O)N2CCC[C@@H](c3cc(N(C)C)nc(-c4cccnc4)n3)C2)c1OC 19584402 KHRWWNOXQNWEHQ-GOSISDBHSA-N 447.539 3.642 0 40 IHAB CNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCN(Cc2cc(OC)ccc2OC)C1 19591677 NFLICOXEEYEUOX-MHZLTWQESA-N 445.563 3.947 0 40 IHAB COc1cc(CN(C(=O)COc2ccccc2C)C2CCCCC2)ccc1OCC(N)=O 19631964 LVLFCYUSBOHBLE-UHFFFAOYSA-N 440.540 3.608 0 40 IHAB O=C(COc1ccc(F)cc1F)N1CCO[C@@H](c2nccnc2-c2ccccc2F)C1 19693464 GQWKJATUGRKJCX-LJQANCHMSA-N 429.398 3.540 0 40 IHAB Cc1nc(C2CCN(CC(=O)Nc3ccc(F)cc3)CC2)ncc1C(=O)Nc1ccccc1 19764187 DTZHEXSHYRRENK-UHFFFAOYSA-N 447.514 3.995 0 40 IHAB O=C(Cn1ccc2cc(Br)ccc21)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 20762584 RKOAFLBSWRRMHU-SFHVURJKSA-N 440.297 3.697 0 40 IHAB biogenic O=C(CCNC1=NS(=O)(=O)c2ccccc21)OCc1sc2ccccc2c1Cl 21976233 BLPLLBBLXLKTAL-UHFFFAOYSA-N 434.926 3.727 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N(Cc3ccccc3)C(C)C)CC2)cc1 22197563 GTKRYOVMWUICIL-UHFFFAOYSA-N 444.597 3.923 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)Nc1cccc(C(C)=O)c1 22248812 MMUQLRYWFIAHPU-UHFFFAOYSA-N 438.933 3.591 0 40 IHAB COc1cccc(CCCNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c1 22342275 NFEAEUQRCMXXPM-UHFFFAOYSA-N 445.368 3.517 0 40 IHAB NC(=O)[C@@H](OC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccccc1 22460937 OUVSRRXQJFVBRA-INIZCTEOSA-N 441.837 3.740 0 40 IHAB Cc1oc(-c2cccs2)nc1CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 22910631 ZOZDJEITLAKOTK-OQLLNIDSSA-N 429.567 3.830 0 40 IHAB NC(=O)[C@H]1Cc2ccccc2CN1CC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 24835614 WFKFUTMCCROLNT-OAQYLSRUSA-N 435.911 3.983 0 40 IHAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCc2coc(-c3cccs3)n2)c1 24852919 UCWISPBAVCUFHE-UHFFFAOYSA-N 426.903 3.664 0 40 IHAB COc1ccc2c(c1)c1nc(SCC(=O)Nc3ccc(C)c(C)c3)n(C)c(=O)c1n2C 33287599 MDSHVFOTZQQWQN-UHFFFAOYSA-N 436.537 3.781 0 40 IHAB Cc1ccc(NC(=O)CSc2nnc([C@@H](C)NC(=O)c3ccccc3F)n2C)c(C)c1 33597446 FUNCVUQPFKFKNM-OAHLLOKOSA-N 441.532 3.793 0 40 IHAB COc1ccc(CN2Cc3ccccc3C[C@H]2C(=O)NCCCOC(C)C)cc1OC 34794544 FJRPKJUHQZYZME-QFIPXVFZSA-N 426.557 3.562 0 40 IHAB COc1c(C(=O)N2CCCC2)cn(C)c1-c1nc2cc(NC(=O)c3ccco3)ccc2n1C 36370117 BBYAAXWLXWPSQJ-UHFFFAOYSA-N 447.495 3.669 0 40 IHAB biogenic CCOc1ccc([C@@H]2[C@H](C(=O)Nc3ccc(Cl)cc3)[C@H](C)Nc3ncnn32)cc1OC 36701690 QXSDTSZGRXHZRE-CJMONDIMSA-N 441.919 3.997 0 40 IHAB CS(=O)(=O)Cc1nc2ccccc2n1C[C@@H](O)Cn1c2ccccc2c2ccccc21 40051446 BOAJFWDAZKSAND-KRWDZBQOSA-N 433.533 3.750 0 40 IHAB O=C(CN1CCC[C@@H](C(=O)Nc2ccccn2)C1)Nc1nc(-c2ccc(F)cc2)cs1 40149567 CLOYQPUTLCRQBL-MRXNPFEDSA-N 439.516 3.633 0 40 IHAB Cc1nc(NC(=O)C2CCN(c3ccc4nnc(-c5ccccc5)n4n3)CC2)sc1C 44577700 QJMXFUMKQKCFIU-UHFFFAOYSA-N 433.541 3.720 0 40 IHAB C[C@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1)c1ccc(F)cc1 44934294 ISPISALPBGZFFI-XOBRGWDASA-N 434.533 3.528 0 40 IHAB COc1ccc([C@@H](CC(C)C)NC(=O)[C@H]2CCN(S(C)(=O)=O)c3ccccc3O2)cc1 44937410 WQONSRDSKBVZLE-DENIHFKCSA-N 446.569 3.516 0 40 IHAB COC(=O)C1=C(CN2CC=C(c3ccccc3)CC2)NC(=O)N[C@H]1c1cccc(Cl)c1 57415052 GGSOQYKQDTUREA-QFIPXVFZSA-N 437.927 3.910 0 40 IHAB CCN(Cc1ccccc1)C(=O)CSc1nc2cc(C)[nH]c2c(=O)n1Cc1ccco1 67236310 KTIBRGYPYVHCMP-UHFFFAOYSA-N 436.537 3.815 0 40 IHAB C[C@@H]1C[C@@H]1C(=O)NCCC(=O)N1CCC[C@@H]1c1nc(-c2cccc(C(F)(F)F)c2)c[nH]1 72290212 QKQKFAGIRXZXMD-RPVQJOFSSA-N 434.462 3.921 0 40 IHAB COc1ccc(-c2nc3cnccn3c2NCc2cccs2)cc1CN1CCOCC1 72341967 MVTRUMDCLIOGJC-UHFFFAOYSA-N 435.553 3.911 0 40 IHAB CCOC(=O)c1cc(C(C)(C)C)sc1NC(=O)C(=O)N[C@@H](CCCO)c1ccccc1 84798499 PRGQHZONFGXFBG-KRWDZBQOSA-N 446.569 3.791 0 40 IHAB Cc1nc(-c2ccccc2F)sc1CNC(=O)[C@@H](C)n1nc(-c2ccco2)ccc1=O 90592946 FSQPSRFAKCEJGJ-CQSZACIVSA-N 438.484 3.952 0 40 IHAB O=C(CN1CCN(C[C@H](O)c2ccccc2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 95351583 HAWGVTQFQXRSQX-IBGZPJMESA-N 441.881 3.649 0 40 IHAB O=C(O)C[C@@H](c1ccc(F)cc1)C1CCN(C(=O)c2ccccc2N2CCOCC2)CC1 95989471 XAFMYUGDFRKDPJ-QFIPXVFZSA-N 440.515 3.773 0 40 IHAB CC(=O)N1CCc2nc3cc([C@H]4CCCCN4C[C@H](C)c4ccccc4)nn3c(O)c2C1 100243120 HSVQOCLFQBBCCN-GAJHUEQPSA-N 433.556 3.670 0 40 IHAB CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN1C(=O)c2cccc3cccc1c23 222990431 GJLVDYSGWHSQRF-NRFANRHFSA-N 429.520 3.662 0 40 IHAB COc1ccc(S(=O)(=O)Nc2cccc(C(=O)N(C)Cc3ccc(F)cc3)c2)cc1 224098222 GFJUAQDGBPJRIB-UHFFFAOYSA-N 428.485 3.907 0 40 IHAB COc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3F)cc2)c1 224541304 VXAZLFCSNPCHRK-UHFFFAOYSA-N 430.457 3.896 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(OC(C)C)c3)CC2)cc1 225497725 KGRRCHPFXPLRPE-UHFFFAOYSA-N 432.542 3.522 0 40 IHAB COc1ccc(OC)c([C@@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@H](C)Nc3ncnn32)c1 247939241 FTMPJZDZMYJWJV-YXKWSERDSA-N 427.892 3.607 0 40 IHAB Cn1cc([C@@H]([C@@H]2C(=O)CC(C)(C)C[C@@H]2O)[C@H]2C(=O)CC(C)(C)C[C@H]2O)c2ccccc21 248163759 YWTKGOCKRQCYLM-FKBBSOFCSA-N 425.569 3.994 0 40 IHAB CCC[C@](C)(O)[C@H]1C[C@@]23C=C[C@@]1(OC)[C@@]1(C)Oc4c(O)ccc5c4[C@@]12CCN(C)[C@H]3C5 253504476 GGSNWFNWEAZKML-JXDPLCQUSA-N 425.569 3.554 0 40 IHAB biogenic,in-vitro CC(=O)OC[C@]12CC[C@@H]3[C@H](C(=O)C[C@H]4C[C@H](OC(C)=O)CC[C@@]43C)[C@H]1C[C@H](OC(C)=O)C2 257349950 SUMWMGNUBMBBTF-QJTGLQDUSA-N 448.556 3.615 0 40 IHAB C[C@@H]1C[C@@H](C)CN(c2cc(N3CCCCCC3)nc(NC(=S)NC[C@H]3CCCO3)n2)C1 260717852 PWGYKLXRLMPZPO-GUDVDZBRSA-N 446.665 3.805 0 40 IHAB COc1ccc(N(CC(=O)N2CCCCCC2)S(=O)(=O)c2cc(C)ccc2OC)cc1 408594276 PMKXXMAFSNSITN-UHFFFAOYSA-N 446.569 3.610 0 40 IHAB Cc1cccc(N2CCN(C(=O)CN(c3ccc(C(C)C)cc3)S(C)(=O)=O)CC2)c1C 408625432 VCYOTKKPTWPZTD-UHFFFAOYSA-N 443.613 3.542 0 40 IHAB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1cccs1 408656451 SJHLQZTYGFJHDB-OKILXGFUSA-N 428.897 3.593 0 40 IHAB CCCCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccccc2)cc1 408664753 JYDRAZPCZBASPH-UHFFFAOYSA-N 440.496 3.934 0 40 IHAB COCCNC(=O)c1nc(-c2ccc(Br)cc2)n(-c2ccc(C)c(C)c2)n1 408692759 UOKKOQVDGBIHBU-UHFFFAOYSA-N 429.318 3.690 0 40 IHAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 409133992 VFKZBDMWWFLEFV-QGZVFWFLSA-N 445.585 3.743 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCC(C)C)c1cc(C)cc(C)c1 409390941 YTURPSVBGFDKGV-UHFFFAOYSA-N 432.586 3.978 0 40 IHAB COc1cccc(-c2ccc3c(c2)O[C@H]2CN(C(=O)C4CCCCC4)C[C@H]2N(C)C3=O)c1 514289344 ISAZHTWGNSGJLD-VWNXMTODSA-N 434.536 3.986 0 40 IHAB biogenic,in-vitro CO[C@@H]1CCN2C[C@@H]1CCCCN(Cc1ncccc1C)CCOc1cccc(c1)C2=O 2037978334 QPDSPKMMTSWSJM-WIOPSUGQSA-N 437.584 3.932 0 40 IHAB Cc1[nH]c2ccccc2c1/C=C1/SC(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O 1008680 KAKZAUGGJNTEAE-DJKKODMXSA-N 435.461 3.880 0 40 IHAB COc1ccc2c(C)c(CCC(=O)N3CCC(C(=O)O)(c4ccccc4)CC3)c(=O)oc2c1 2155230 JYORQODPHAROCN-UHFFFAOYSA-N 449.503 3.688 0 40 IHAB biogenic COc1cc(CN(C)CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccc1OC(F)F 2654663 JBZXMVBUXUWTAK-UHFFFAOYSA-N 430.354 3.689 0 40 IHAB CCCCCC(=O)Nc1ncc2c(n1)C[C@H](c1cc(OC)c(OC)c(OC)c1)CC2=O 2739491 QIGBZBFBFBVYNB-AWEZNQCLSA-N 427.501 3.934 0 40 IHAB biogenic Cc1ccc(N2C(=O)N(CC(=O)Nc3ccc(Br)c(C)c3)C(=O)[C@H]2C)cc1 3343904 PVWMYNUGFUTHRH-CQSZACIVSA-N 430.302 3.862 0 40 IHAB CCCNC(=O)CSc1nnc(-c2cc(-c3ccc(C)cc3)nc3ccccc23)n1N 3439282 NSWSMQQXSMAHQT-UHFFFAOYSA-N 432.553 3.801 0 40 IHAB Nn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1-c1cccc(Cl)c1 3472162 AQSGKZQOAIAHMO-UHFFFAOYSA-N 438.738 3.806 0 40 IHAB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)c1 6198994 IFUCKIZXZYGLGD-UHFFFAOYSA-N 426.523 3.565 0 40 IHAB CCOC(=O)c1c(NC(=O)CS(=O)(=O)c2ccc(C)cc2)sc2c1CC[C@@H](C)C2 8673536 DVPMQGLYARVYKW-CQSZACIVSA-N 435.567 3.770 0 40 IHAB aggregator C[C@H](NC(=O)c1ccc(NC(=O)CSc2nncn2C)cc1)c1cc2ccccc2o1 8708343 ACIICPQWCANECL-AWEZNQCLSA-N 435.509 3.783 0 40 IHAB COc1ccc(-c2cc(CSc3nnc(-c4ccc(OC)cc4OC)n3N)on2)cc1 8728028 LZQWACPAUDHGGH-UHFFFAOYSA-N 439.497 3.632 0 40 IHAB Cc1oc2cc3oc(=O)c(CCC(=O)N4CCN(c5ncccn5)CC4)c(C)c3cc2c1C 8765438 JDRZPFIMODVVMJ-UHFFFAOYSA-N 446.507 3.536 0 40 IHAB biogenic CC(C)[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)NCc1ccc(Cl)cc1 9130411 OFTUPFUZFXWKSW-IBGZPJMESA-N 425.920 3.560 0 40 IHAB COc1ccc([C@@H]2Nn3c(nnc3-c3ccccc3)S[C@H]2C(=O)N2CCCCC2)cc1 9236508 KRRJQOYLQRUYDF-VQTJNVASSA-N 435.553 3.725 0 40 IHAB COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN(C)C)[C@H]3c1ccc(OC(C)C)cc1 9302762 LYCPCYIRSRPVEB-QFIPXVFZSA-N 436.508 3.696 0 40 IHAB CC(=O)Oc1cc(C)cc2oc(=O)c(CC(=O)NCc3c(F)cccc3Cl)c(C)c12 9435731 XKJBBJBFDKENKM-UHFFFAOYSA-N 431.847 3.987 0 40 IHAB COc1ccc(OC)c(S(=O)(=O)Nc2cccc(-c3ccc(N4CCCC4)nn3)c2)c1 9529584 BUJNUEVBSHSEGW-UHFFFAOYSA-N 440.525 3.562 0 40 IHAB CC(C)Cn1c(SCC(=O)Nc2sccc2C(N)=O)nnc1-c1ccccc1F 9632080 UIBBUSSHWZSWBX-UHFFFAOYSA-N 433.534 3.631 0 40 IHAB CC(C)(C)c1cc(NC(=O)CSc2nnnn2-c2ccc(OC(F)(F)F)cc2)on1 9644616 MGUGKUCJSSOIDH-UHFFFAOYSA-N 442.423 3.577 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(OC[C@@H]2CCCO2)cc1 9716306 FJPKSJUXXSGEEA-NRFANRHFSA-N 444.553 3.671 0 40 IHAB O=C(/C=C/c1ccc(OCc2cn3ccccc3n2)cc1)N1CCN(c2ccncc2)CC1 9835375 QGDYOZYYXNMJKC-RMKNXTFCSA-N 439.519 3.670 0 40 IHAB Cc1cccc(OCCN(Cc2ccco2)S(=O)(=O)c2ccc3c(c2)OCCO3)c1 9884594 BTXGMAHTMKRSAV-UHFFFAOYSA-N 429.494 3.629 0 40 IHAB CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)CSc1n[nH]c(N)n1 10715789 DOAFHRSCTMYXQQ-UHFFFAOYSA-N 431.543 3.640 0 40 IHAB O=C(CSc1ccc(Br)cc1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 11341050 ZOJXFYHSGLEHJP-INIZCTEOSA-N 440.384 3.762 0 40 IHAB O=C(Cn1c(=O)n(-c2ccc(F)cc2)c(=O)c2oc3ccccc3c21)Nc1ccccc1 12140760 NWDOMRPGDIWXIB-UHFFFAOYSA-N 429.407 3.676 0 40 IHAB Cc1noc(-c2cnc(N(C)C)nc2-c2ccc(CNC(=O)c3ccccn3)cc2)c1C 12182296 VVZXJQMUZVLTCP-UHFFFAOYSA-N 428.496 3.806 0 40 IHAB COc1ccc(NC(=O)c2cc(-c3cccnc3)c(N3CCOCC3)s2)cc1OC 12222641 ZJSQSECFGRAJNJ-UHFFFAOYSA-N 425.510 3.916 0 40 IHAB CCCCOCCCNC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(CC)cc2)c1 12508130 WWDZEMSIJQDRST-UHFFFAOYSA-N 448.585 3.995 0 40 IHAB C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)C[C@H](C)O1 12525831 PTBQMCBFBXDFKU-KBPBESRZSA-N 442.459 3.756 0 40 IHAB CCOc1ccc(Br)cc1S(=O)(=O)Nc1cccc(C(=O)NC2CC2)c1 12557270 XFOLYCFIVZRNFR-UHFFFAOYSA-N 439.331 3.541 0 40 IHAB Cc1c(C(=O)N2CCN(CC(=O)Nc3cccc(F)c3)CC2)oc2ccc(Cl)cc12 12755291 UYJXQRPEOAFBAE-UHFFFAOYSA-N 429.879 3.930 0 40 IHAB C[C@@H]1C(=O)N(Cc2nc3ccccc3c(=O)n2Cc2ccco2)C(=O)N1c1ccc(F)cc1 12760369 AVVNECKOZDXPRV-OAHLLOKOSA-N 446.438 3.534 0 40 IHAB O=C(NCc1ccccc1)[C@@H](c1cccnc1)N(Cc1ccccc1)C(=O)c1csnn1 12871728 BZKLTVWAWNLFFQ-JOCHJYFZSA-N 443.532 3.633 0 40 IHAB O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1ccc(N2CCOCC2)nc1 12902431 IKWNDOAHJGIJSK-UHFFFAOYSA-N 430.224 3.952 0 40 IHAB C[C@H](NC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1)c1ccc(-n2cncn2)cc1 12913538 PANVOYNHFHPEQS-PXNSSMCTSA-N 425.492 3.651 0 40 IHAB O=C(Cc1ccccc1F)N1CCC[C@@H](c2nc3sc4c(c3c(=O)[nH]2)CCCC4)C1 13566091 OZOGYLZYXIXTNQ-OAHLLOKOSA-N 425.529 3.951 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CSc2nnc(COc3ccccc3C)o2)cc1 13586100 VKJLFMKWKIDLRS-UHFFFAOYSA-N 427.482 3.865 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccccc2C(F)(F)F)cc1 13633289 DGAHGXQHFOJOFX-UHFFFAOYSA-N 430.448 3.753 0 40 IHAB Cc1ccccc1CN(c1ccc(C(=O)NCCCN2CCCCC2)cc1)S(C)(=O)=O 13673491 IRFKUZMLWZEMLD-UHFFFAOYSA-N 443.613 3.567 0 40 IHAB COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)COc2ccc(F)cc2)cc1 15437417 TUHMSQFTLOUUQV-UHFFFAOYSA-N 430.457 3.653 0 40 IHAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cnn(-c2ccccc2)c1 15604701 ALNZKVDXDJNEFE-UHFFFAOYSA-N 436.512 3.759 0 40 IHAB Cc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1NC(=O)N[C@H](Cc1ccccc1)C(=O)O 16020557 VIGFKPHMXYIHHT-OAQYLSRUSA-N 442.475 3.716 0 40 IHAB O=C(c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)N1CCC[C@@H](C(F)(F)F)C1 16962301 AOPTVWPKVBPHOP-CQSZACIVSA-N 438.899 3.929 0 40 IHAB Cc1nn(Cc2ccccc2)c2sc(C(=O)N(CCC(N)=O)Cc3ccccc3)cc12 18235187 NEGFSNDVWWMEDJ-UHFFFAOYSA-N 432.549 3.972 0 40 IHAB Cc1cc(-c2cnc(N(C)C)nc2[C@@H]2CCCN2C(=O)CSc2nc(C)c(C)o2)on1 19122329 ZXESWNWMHUOFFA-INIZCTEOSA-N 442.545 3.567 0 40 IHAB Cc1cccc(CC(=O)N2CCC[C@@H]2c2c(-c3ccnc(N4CCCC4)n3)cnn2C)c1 19234706 YFMCQAMURLXTMF-JOCHJYFZSA-N 430.556 3.692 0 40 IHAB CC(=O)N1CCO[C@@H](c2c(C(=O)NCCOc3ccc(C)cc3)sc3ccccc23)C1 19696719 JNSUKYAOIHCLJA-HXUWFJFHSA-N 438.549 3.938 0 40 IHAB COc1ccc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)c(C)c2)cc1OC 20153464 DWCJORQMARZZNS-UHFFFAOYSA-N 426.494 3.891 0 40 IHAB CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccccc2)n2ncnc2N1Cc1ccc(Cl)cc1 20674187 QAKYSXPBINHELK-JOCHJYFZSA-N 449.942 3.674 0 40 IHAB CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)N[C@@H](C)c1ccc(Cl)cc1 22253095 NVPVPOAFOXTGOZ-ZDUSSCGKSA-N 440.949 3.634 0 40 IHAB CCOC(=O)c1ccc(N(Cc2cccnc2)C(=S)NC(=O)COc2ccccc2)cc1 22528415 AXUFQCGIHYQIAG-UHFFFAOYSA-N 449.532 3.745 0 40 IHAB C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)c1ccc(Cl)cc1 24923969 RVBHISKTBXULGY-GFCCVEGCSA-N 448.397 3.832 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cnc3ccccc3c2)Cc2ccco2)cc1 25053400 MRMNFYWUSNUVJM-UHFFFAOYSA-N 435.505 3.966 0 40 IHAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)c1sccc1S(=O)(=O)N1CCCC1 25807583 PSFRILHKBSVNMC-CQSZACIVSA-N 446.550 3.751 0 40 IHAB COc1ccc(CNC(=O)c2ccc(Cn3cc(Br)cn3)cc2)cc1OC 27970032 FXBBWBDFUMAIJX-UHFFFAOYSA-N 430.302 3.641 0 40 IHAB Cn1ccnc1[C@H](NC(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1)c1ccccc1 28943295 CBAWBSOAFGSWEW-OAQYLSRUSA-N 444.564 3.876 0 40 IHAB CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)NCCCOC)cc1 29815285 FVEGSZLGFHQHCT-UHFFFAOYSA-N 440.569 3.502 0 40 IHAB COc1ccc(-n2c(SCC(=O)NCCc3ccccc3)nc3ccccc3c2=O)cc1 29989269 WAOZEKMDJMGXFE-UHFFFAOYSA-N 445.544 3.845 0 40 IHAB O=C(NCc1cccc(C(F)(F)F)c1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 31688837 NOSUTLIJUSDSDU-UHFFFAOYSA-N 440.487 3.564 0 40 IHAB Cn1ccnc1C(=O)c1ccc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 32721733 JYUPOYBHQUNMLL-UHFFFAOYSA-N 448.567 3.702 0 40 IHAB COc1cc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)ccc1OCc1ccc(C(=O)O)o1 33439016 QDMSQAQBIIQCNC-WQRHYEAKSA-N 448.431 3.658 0 40 IHAB Cc1sc(NC(=O)CN(Cc2ccccc2)C(=O)c2cccs2)c(C(N)=O)c1C 35312685 XTLLJCGFVPXQGF-UHFFFAOYSA-N 427.551 3.806 0 40 IHAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CC(=O)NC(=O)Nc1ccccc1)CC2 35392646 PYOFGPRWPQTLNV-VWLOTQADSA-N 445.519 4.000 0 40 IHAB COC(=O)c1[nH]c2cccc(C)c2c1NC(=O)CN1CCN(c2cccc(Cl)c2)CC1 35843205 BVHGTSCDLXLDNM-UHFFFAOYSA-N 440.931 3.677 0 40 IHAB O=C(NC1CCCC1)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCC2 35897637 NREUYICLZRUXEU-OBQMCUGOSA-N 428.554 3.761 0 40 IHAB O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1(c2ccc(F)cc2)CCC1 40050488 GHSPWLKEJOPJRH-UHFFFAOYSA-N 430.545 3.738 0 40 IHAB O=C(CCc1ccc(F)c(F)c1)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 40122056 INRYPCRGWXMELU-UHFFFAOYSA-N 426.385 3.901 0 40 IHAB CC(C)(C)c1ccc(OC[C@@H](O)CNC[C@H](c2ccc(F)cc2)N2CCOCC2)cc1 40160694 GZNFRCKLBVELQI-LADGPHEKSA-N 430.564 3.526 0 40 IHAB CCOC(=O)Cc1csc(NC(=O)Cc2c(C)c3cc4c(C)coc4cc3oc2=O)n1 40310023 ULRJHSKCEZZPNC-UHFFFAOYSA-N 440.477 3.899 0 40 IHAB biogenic COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CN1CCN(c2ccccc2F)CC1 57050832 QJMNIZBBXKQUGU-UHFFFAOYSA-N 444.894 3.508 0 40 IHAB CCOc1ccc(C(=O)Cn2c(=O)n(Cc3ccc(C)cc3)c(=O)c3sccc32)cc1 57486216 JCDIWBOZAHUSMS-UHFFFAOYSA-N 434.517 3.863 0 40 IHAB Cc1ccc([C@@H](NC(=O)CS(=O)(=O)Cc2cccc(Br)c2)C2CC2)cc1 57727348 BJYVCNBQARRTHL-HXUWFJFHSA-N 436.371 3.940 0 40 IHAB COc1cccc(-n2ccn3c(S[C@H](C)C(=O)c4ccc(C)c(C)c4)nnc3c2=O)c1 64593636 NPIWOOLPFNTBAZ-MRXNPFEDSA-N 434.521 3.869 0 40 IHAB Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N(C)[C@@H](c1ccccc1)c1ccccn1 72272895 WDNHDTZRVHAQNP-QHCPKHFHSA-N 435.549 3.692 0 40 IHAB Cc1nc(N2CCN(c3ccnc(N(C)C)n3)CC2)c2cc(-c3ccccc3)sc2n1 72292438 CZILCIUNDLWLNR-UHFFFAOYSA-N 431.569 3.849 0 40 IHAB Cn1c(CNC(=O)[C@H]2C[C@H]3CC[C@]2(C)C[C@]32NC(=O)c3ccccc3N2)nc2ccccc21 72326526 PBQGJTUALVLNKU-MBCUHQJISA-N 443.551 3.568 0 40 IHAB COc1ccc(CCC(=O)N2CCC[C@H](c3cncc(-c4ccc(CO)cc4)n3)C2)cc1 72359564 BHNLXFQBZDVUOR-QFIPXVFZSA-N 431.536 3.983 0 40 IHAB COc1cc(NC(=O)c2ccc(OC)c(I)n2)c(OC)cc1Cl 89466857 ZXXKDGDVUXZSOW-UHFFFAOYSA-N 448.644 3.618 0 40 IHAB COc1cccc(CCNC(=O)[C@H]2C[C@@H]3CC[C@]2(C)C[C@]32NC(=O)c3ccccc3N2)c1 100117350 KJXRPELNEPVHAC-JZSYQYRNSA-N 433.552 3.732 0 40 IHAB O=C(NC[C@]12C=C[C@@H](O1)C(Cl)(Cl)C(=O)C2(Cl)Cl)OCc1ccccc1 100351644 JOUKAXDNEIEFJP-RISCZKNCSA-N 425.095 3.537 0 40 IHAB O=C(CSc1nncn1C1CC1)NCC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 101771175 CSMDIMLIJWZBQP-LGBHXNNWSA-N 425.396 3.555 0 40 IHAB CC(C)OC(=O)c1cc(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)cc(C(=O)OC(C)C)c1 102204270 FJKZTTSZCFHTJP-QAMTZSDWSA-N 431.485 3.502 0 40 IHAB CC(C)=C1[C@@H]2CC[C@@H]1[C@@H](C(=O)Nc1sccc1C(=O)NCc1ccco1)[C@@H]2C(=O)O 103089547 IEZTXZCSFNOOQM-LBTBCDHLSA-N 428.510 3.903 0 40 IHAB CCOC(=O)c1cccc(NC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)c1C 216410388 YIBMOVHBWZLVGM-UHFFFAOYSA-N 444.553 3.740 0 40 IHAB CC[C@@H](C(=O)NCCCc1ccccc1Cl)N(c1ccc(F)cc1)S(C)(=O)=O 219110643 ULKBWZIZZWJNKX-IBGZPJMESA-N 426.941 3.773 0 40 IHAB COc1ccccc1N(CCCC(=O)NCCCc1ccccc1Cl)S(C)(=O)=O 222583586 CJYKXHQPYHDNFW-UHFFFAOYSA-N 438.977 3.644 0 40 IHAB COC(=O)c1cn(C(=O)[C@@H](C)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)c2ccccc12 222632432 KISVIPBNFBVLOS-CQSZACIVSA-N 448.928 3.885 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCOc3ccccc3C(C)C)CC2)cc1 223836632 YZEOCQFRGZAQGK-UHFFFAOYSA-N 444.597 3.714 0 40 IHAB COc1ccc(CNC(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)c(OC)c1 224098835 KTFOLUCIZSJHJH-UHFFFAOYSA-N 440.521 3.743 0 40 IHAB CC[C@@H](NC(=O)CCc1cc(S(=O)(=O)N(C)C)ccc1OC)c1ccc(C)c(C)c1 224119021 FGBXNSSVGXEJCA-OAQYLSRUSA-N 432.586 3.762 0 40 IHAB CC(C)c1ccc(CCCNS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)cc1 225289669 NSCNVBWVUYOGCK-UHFFFAOYSA-N 444.582 3.825 0 40 IHAB C[C@H]1C[C@H](C)CN(c2cc(N3CCCCCC3)nc(NC(=S)NC[C@@H]3CCCO3)n2)C1 225908814 PWGYKLXRLMPZPO-FHWLQOOXSA-N 446.665 3.805 0 40 IHAB CCOc1ncc([C@]2(O)CCC[C@@H]3CN(Cc4cc(F)ccc4F)C[C@H]32)c(OCC)n1 253383020 KBOFMJAMTWUQHD-NFHUAXAMSA-N 433.499 3.672 0 40 IHAB Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)ccc1N1C(=O)[C@H]2CCCC[C@H]2C1=O 408639396 FZESWTWOKVFQFU-UIFIKXQLSA-N 446.503 3.633 0 40 IHAB CS(=O)(=O)N(CCCC(=O)Nc1cccc2ccccc12)c1ccc2c(c1)OCO2 408702633 CBXDJTURQKBKKJ-UHFFFAOYSA-N 426.494 3.753 0 40 IHAB COc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(C)cc3)[C@H]2c2ccc(Cl)cc2)cc1 409057981 QSFQBPFREVVWPL-WAUWHALJSA-O 448.930 3.673 0 40 IHAB Cc1ccc([C@@H]2[C@H](NC(=O)c3cccc(C)c3)C(=O)N/[N+]2=C\c2ccccc2Cl)cc1 409060099 SQWKUKAMHHIBBR-LMOLPZMTSA-O 432.931 3.973 0 40 IHAB COc1cc2[nH]c(=NCc3cccc(NC(=O)c4ccccc4)c3)nc(N)c2cc1OC 533638493 ICUMBBLWOIUEJS-UHFFFAOYSA-N 429.480 3.516 0 40 IHAB Cc1cc(O[C@@H](C)C(=O)NC2(c3nc(C4CCOCC4)no3)CCOCC2)ccc1Cl 585141644 DZIZLOODKVJPDH-HNNXBMFYSA-N 449.935 3.515 0 40 IHAB O=C(Nc1cccc(C[S@@](=O)Cc2ccccc2)c1)[C@]1(O)CCN(Cc2ccccc2)C1 610414826 VYSJAHWMXRZUTF-IEWVHIKDSA-N 448.588 3.711 0 40 IHAB Cc1nc(-c2ccc(C(=O)N3C[C@H]4CC[C@H]3[C@@H]3CN(Cc5ccccc5)C[C@@H]43)cc2)n[nH]1 656419113 SWVNXCCGCVRFKY-QPXUXIHVSA-N 427.552 3.763 0 40 IHAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3)c(=O)n2[C@@H]1c1cccs1 631608 MJUWUIAGAQUSGK-MUMAZLPKSA-N 444.965 3.513 0 40 IHAB Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)S(=O)(=O)c3ccccc3F)cc2c1 883348 PDNHEASWUJZCLP-UHFFFAOYSA-N 426.469 3.960 0 40 IHAB Cc1cc(C)c2cc(CN(C[C@@H]3CCCO3)S(=O)(=O)c3ccc(F)cc3)c(=O)[nH]c2c1 914643 UCAYCYWGBJHEEY-IBGZPJMESA-N 444.528 3.654 0 40 IHAB COC(=O)c1cccc(CN2C(=O)S[C@@H](Nc3ccc(Br)cc3)C2=O)c1 2326663 IZFRXQZPXKZHDE-OAHLLOKOSA-N 435.299 3.869 0 40 IHAB COc1ccc(C(=O)N/C(=C\c2ccc(Cl)cc2)C(=O)NCCCn2ccnc2)cc1 6143835 LPGOUBKYUPUIAO-QNGOZBTKSA-N 438.915 3.523 0 40 IHAB COC(=O)c1ccccc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 6146375 RDMMINOXWHQAMJ-UHFFFAOYSA-N 428.441 3.665 0 40 IHAB CCCc1cc(=O)oc2c3c(cc(OCC(=O)NCc4ccncc4)c12)OC(C)(C)CC3 8791589 GEFIBBIDRKCZAF-UHFFFAOYSA-N 436.508 3.939 0 40 IHAB biogenic Cc1cc(C(=O)COC(=O)CCc2nc3ccccc3c(=O)[nH]2)c(C)n1Cc1cccs1 9120575 GJRZHPUWJWKYIK-UHFFFAOYSA-N 449.532 3.810 0 40 IHAB COc1ccc(OC)c(C2=NO[C@@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)c2ccccc2)c1 9130265 RXTIMXBQPXTKHI-PXDATVDWSA-N 428.444 3.785 0 40 IHAB COc1cccc(NC(=O)[C@H]2Sc3nnc(C)n3N[C@@H]2c2ccc(OC)c(Cl)c2)c1 9238620 RYPNDJFWVHOCEQ-MSOLQXFVSA-N 445.932 3.655 0 40 IHAB COc1cc2c(cc1OC)CN(C(=O)N[C@@H](C)C(=O)Nc1cccc3ccccc13)CC2 9304305 FMJOFQACCQWQII-INIZCTEOSA-N 433.508 3.952 0 40 IHAB CN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc(OCc2cn3ccccc3n2)cc1 9319508 PVEAQXKARYMYHJ-NRFANRHFSA-N 429.476 3.825 0 40 IHAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc(OC)c(OC)c1 9510225 JBROCQMSMDLGEZ-UHFFFAOYSA-N 430.501 3.590 0 40 IHAB Cc1cc(C(=O)CN2C(=O)N[C@H](CCc3ccccc3)C2=O)c(C)n1Cc1ccccc1 9536583 IUFWBEIXISRUTG-HSZRJFAPSA-N 429.520 3.889 0 40 IHAB COc1ccc(N(CC(=O)N2CCCc3ccccc32)S(=O)(=O)c2ccccc2)cc1 9540497 CORCRRVYNJKUQG-UHFFFAOYSA-N 436.533 3.870 0 40 IHAB CC(C)CCn1c(=O)c2ccccc2n2c(COC(=O)c3cc(F)cc(F)c3)nnc12 9672459 SASUVGFYQGQRNP-UHFFFAOYSA-N 426.423 3.726 0 40 IHAB O=C(Cn1cnc2ccc(Cl)cc2c1=O)Nc1ccccc1C(=O)NCc1ccccc1 9781408 RDYYZJFRQBBJDL-UHFFFAOYSA-N 446.894 3.619 0 40 IHAB CCOc1ccccc1NC(=O)CSc1nc2ncccc2c(=O)n1-c1ccccc1 9830384 FKRMCHFYVUKYMY-UHFFFAOYSA-N 432.505 3.910 0 40 IHAB COc1ccc(Br)cc1C(=O)NC(=O)c1cc(Br)ccc1OC 9934681 BJLAOLWDOIZGDO-UHFFFAOYSA-N 443.091 3.799 0 40 IHAB C[C@H](OC(=O)c1ccc(OCc2cscn2)cc1)C(=O)Nc1ccc(N(C)C)cc1 11498418 NQNWFTAGCRGTFL-HNNXBMFYSA-N 425.510 3.972 0 40 IHAB COc1ccc(-c2cc3nc([C@@H](C)NC(=O)[C@H](C)Oc4ccc(C)cc4)nn3cn2)cc1 12085127 MXSVBRTYGGSAFB-SJORKVTESA-N 431.496 3.753 0 40 IHAB CCn1c(=O)oc2cc(S(=O)(=O)N3CCCCC[C@H]3c3cc(C)no3)c(Cl)cc21 12159468 CLDUQHDAWWKQIV-AWEZNQCLSA-N 439.921 3.870 0 40 IHAB CCCCOc1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)cc1OC 12682487 IJZGRVTYMFCXSR-UHFFFAOYSA-N 432.542 3.911 0 40 IHAB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)[C@H](C)C(=O)Nc1cc(Cl)ccc1C 12888628 HOGIKZPSBOLUAV-OAHLLOKOSA-N 430.936 3.894 0 40 IHAB CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)CC(=O)N1CCc2ccccc2C1 12890780 YZTGZFCLEPLNGD-UHFFFAOYSA-N 439.865 3.814 0 40 IHAB CS(=O)(=O)N1CCC(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)CC1 12902867 DMTRLRYJQHKXLQ-UHFFFAOYSA-N 443.956 3.709 0 40 IHAB Cc1cccc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3ccc(F)cc3)cc2)c1 12945509 WHXDPWNLDJHUKL-UHFFFAOYSA-N 428.485 3.977 0 40 IHAB Cc1cc(NC(=O)CN(C)CC(=O)Nc2ccccc2C(F)(F)F)n(-c2ccccc2)n1 12992708 UQVZLIISVYSTOO-UHFFFAOYSA-N 445.445 3.709 0 40 IHAB O=S(=O)(Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1)c1ccccc1Cl 13009994 FECQMRFUURJMIZ-UHFFFAOYSA-N 426.889 3.860 0 40 IHAB CCCC1(CCC)NC(=O)N(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)C1=O 13098023 WQTPIBQNURLVCP-UHFFFAOYSA-N 426.483 3.676 0 40 IHAB Cc1cccc(N2CCN([C@@H](c3ccccc3F)c3nnnn3Cc3ccco3)CC2)c1C 13505099 WRAKAULFJSFRFA-DEOSSOPVSA-N 446.530 3.982 0 40 IHAB Cc1ccc(/C=C/c2nc3ccc(I)cc3c(=O)n2CCCO)cc1 13617471 DOCCGNQKPBSRQX-JXMROGBWSA-N 446.288 3.862 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCCCc1ccc(C)cc1 13632205 PNESORJCUSOIQB-UHFFFAOYSA-N 444.597 3.931 0 40 IHAB COc1ccc(N([C@@H](C)C(=O)NCCCc2cccc(C)c2)S(C)(=O)=O)cc1Cl 13669686 MIIDBDVWDPEMGW-INIZCTEOSA-N 438.977 3.561 0 40 IHAB O=c1c2cc(Br)ccc2ncn1C[C@@H](O)COc1cccc2ccccc12 14186599 YEOJFZMZNSLPBO-MRXNPFEDSA-N 425.282 3.752 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 14908810 FWDSDQXHKCZGOZ-UHFFFAOYSA-N 436.917 3.554 0 40 IHAB CC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)cc1 16320873 HQZPHVLDPUMZCK-UHFFFAOYSA-N 441.365 3.953 0 40 IHAB CCOc1ccccc1N(CC(=O)N[C@@H](C)CC)S(=O)(=O)c1ccc(SC)cc1 16610273 MYJBYZZOACMWKL-INIZCTEOSA-N 436.599 3.917 0 40 IHAB CCC(=O)NC(=S)Nc1ccc(NC(=O)c2cc(Br)ccc2OC)cc1 17099983 HYZKFNICVLYJDF-UHFFFAOYSA-N 436.331 3.933 0 40 IHAB Cc1nnnn1/C(=C\c1ccccc1)C(=O)OCc1cc(Cl)c2c(c1)OCCCO2 17716578 GWRUCABLNGUCLU-WQRHYEAKSA-N 426.860 3.538 0 40 IHAB COc1cc(NC(=O)C23C[C@@H]4C[C@H](C2)CC(n2nnc(C)n2)(C4)C3)c(OC)cc1Cl 18042514 VWKXYJYAUBETEV-ZXPDZVFASA-N 431.924 3.586 0 40 IHAB CCn1c(CN2CCNC(=O)[C@H](Cc3ccccc3-c3cccnc3)C2)nc2ccccc21 19524309 VHZHKAVGGLLVFB-JOCHJYFZSA-N 439.563 3.909 0 40 IHAB CCN1CCN(C(=O)Cc2ccccc2)C[C@@H](Cc2cccc(-c3cccnc3)c2)C1=O 19527552 AXBCSRXVCAHZFJ-RUZDIDTESA-N 427.548 3.841 0 40 IHAB Cc1ncc(C(=O)N2CCC[C@@](Cc3cccc(-c4cccs4)c3)(C(N)=O)C2)c(C)n1 19552426 FUIKQZOJFCJDIK-DEOSSOPVSA-N 434.565 3.772 0 40 IHAB CSCC[C@H](NC(=O)c1csc2c1CCCC2)c1cc(=O)[nH]c(-c2cccnc2)n1 19574018 PINNZJODQIABQM-KRWDZBQOSA-N 440.594 3.996 0 40 IHAB COc1ccc2c(c1)c(C)c(C(=O)N1CCO[C@@H](c3ccc(-c4cncnc4)cn3)C1)n2C 19693612 QLKCZXKOZRFQNW-HSZRJFAPSA-N 443.507 3.561 0 40 IHAB Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(F)c(F)c2)cc1 19930906 YWMOFHOFZMOJFI-NRFANRHFSA-N 430.476 3.802 0 40 IHAB Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(F)cc2)cc1C 20007762 PRQJPWIPNRLMSV-QFIPXVFZSA-N 426.513 3.971 0 40 IHAB O=C(NC1CCCCC1)N1CCN(C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 20347431 NUEGGNMLLLYYCW-NRFANRHFSA-N 434.584 3.815 0 40 IHAB CCSc1ccccc1NC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 20459169 CLTFRZXTNGDXRQ-UHFFFAOYSA-N 443.388 3.966 0 40 IHAB O=C(CSc1ncn(-c2ccccc2)n1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 21756689 HHHURJNFUWAOMC-IBGZPJMESA-N 436.537 3.884 0 40 IHAB CCN(c1cc(OC)c(OC)cc1C(=O)N[C@@H](C)c1ccc(Cl)cc1)S(C)(=O)=O 22252348 ARQYRZYPVDWRMW-ZDUSSCGKSA-N 440.949 3.634 0 40 IHAB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1)N1CCc2ccccc2C1 22383845 BHUKFLKDWYDWMM-UHFFFAOYSA-N 442.487 3.745 0 40 IHAB NC(=O)[C@H](OC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccccc1 22460942 OUVSRRXQJFVBRA-MRXNPFEDSA-N 441.837 3.740 0 40 IHAB O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCCN(c2ccc(-c3ccc(F)cc3)nn2)C1 23142846 BJGZYVUEGRAIHZ-SFHVURJKSA-N 434.471 3.544 0 40 IHAB COc1ccc(CCNC(=O)N2CCN(Cc3nc(-c4cccs4)cs3)CC2)cc1 23145199 RYHMFIWUAUYGOO-UHFFFAOYSA-N 442.610 3.950 0 40 IHAB CCOC(=O)Cc1nnc(SCc2csc(-c3ccccn3)n2)n1Cc1ccco1 23200400 WRNNYJKAXHRBBV-UHFFFAOYSA-N 441.538 3.836 0 40 IHAB O=C(COc1ccc(F)cc1)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCS(=O)(=O)C1 27745977 XCXDTLZWDYHKME-INIZCTEOSA-N 446.327 3.727 0 40 IHAB O=S(=O)(Nc1nc2ccccc2[nH]1)c1cc(Br)ccc1Br 28249586 FSQYFWBYPBQMAS-UHFFFAOYSA-N 431.109 3.889 0 40 IHAB C[C@@H](Oc1ccccc1)c1nnc(SCC(=O)Nc2ccc3c(c2)OCCCO3)n1C 32610691 WWGRWRLJVSSDBI-OAHLLOKOSA-N 440.525 3.847 0 40 IHAB O=C(Nc1cccc(Cl)c1)N1CCN(C(=O)c2cccc(OC[C@@H]3CCCO3)c2)CC1 32912014 CTUBIVIODFNHMZ-NRFANRHFSA-N 443.931 3.888 0 40 IHAB CCOC(=O)c1c(CSc2nnnn2-c2ccc(OC)cc2)nc2ccccc2c1C 32941882 FNIWPDCHGMMERN-UHFFFAOYSA-N 435.509 3.997 0 40 IHAB CCCN(CC(=O)Nc1ccccc1OC)Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1 33381232 CEMDHSFPDQKTIQ-UHFFFAOYSA-N 448.445 3.801 0 40 IHAB CSc1ncc(C(=O)O[C@H](C)C(=O)N(C)Cc2ccccc2)n1-c1ccc(F)cc1 36852494 AMGGPWMYCWAZOL-OAHLLOKOSA-N 427.501 3.937 0 40 IHAB Cc1cc(NC(=O)CN(C)C(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)no1 40013142 OFQSHMJNSLWPRH-UHFFFAOYSA-N 429.480 3.606 0 40 IHAB CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(N(C)C)cc1C)C2=O 40111562 CGJPORMZDSJHJI-UHFFFAOYSA-N 428.577 3.917 0 40 IHAB O=C(Cn1c(=O)n(-c2cc(F)cc(F)c2)c(=O)c2sccc21)Nc1cccc(Cl)c1 57429027 ILBQHAWDLDGSQV-UHFFFAOYSA-N 447.850 3.784 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2[C@H](C)CC)cc1 67238704 DSBJACXGHKWMIS-CQSZACIVSA-N 442.541 3.912 0 40 IHAB O=C(Cn1cnc2nc(N3CCCCC3)sc2c1=O)Nc1ccc(C(F)(F)F)cc1 67317072 UBZVHOKTFFCIPU-UHFFFAOYSA-N 437.447 3.501 0 40 IHAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCc2nc(-c3cccc(C(F)(F)F)c3)sc2C1 72392048 MCXIFBCYKXPYTG-UHFFFAOYSA-N 442.488 3.916 0 40 IHAB COc1cc(NC2CCN(C(=O)c3ccc4c(c3)NC(=O)[C@@H](C)S4)CC2)cc(OC)c1 79046367 HRGNQZOINSJAFR-CQSZACIVSA-N 441.553 3.853 0 40 IHAB O=C1[C@@H]2C[C@@H](CN2C(=O)C2CC2)Oc2ccccc2N1Cc1ccc(OC(F)(F)F)cc1 96111752 MKEUQCJRPFIJOU-HKUYNNGSSA-N 446.425 3.890 0 40 IHAB biogenic,in-vitro CCOc1ccc(NC(=O)C2CCC(N3C(=O)[C@H]4[C@@H]5C=C[C@@H]([C@H]6C[C@H]56)[C@@H]4C3=O)CC2)cc1 101967360 RVGFAGRWRVUULT-BZOLAEOFSA-N 434.536 3.636 0 40 IHAB CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3ccco3)C2=O)cc1 102196909 RMZWPBIXXJEQBB-PCCBWWKXSA-N 432.432 3.507 0 40 IHAB COc1ccccc1OCc1cccc(C(=O)Nn2c(S)nc3ccccc3c2=O)c1 102445116 SAZUBFAHIZWEAC-UHFFFAOYSA-N 433.489 3.657 0 40 IHAB O=C1[C@H]2[C@H](C(=O)N1c1nn(Cc3ccc(Cl)cc3Cl)cc1Cl)[C@H]1CC[C@H]2O1 102639926 AYJQHBAMAZERGP-KBUPBQIOSA-N 426.687 3.558 0 40 IHAB COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3ON2c2ccccc2)ccc1O 102710680 QVKLBFGOEMTFQC-YTFSRNRJSA-N 430.460 3.760 0 40 IHAB CC[C@@H](Oc1ccccc1OC)C(=O)N(C)Cc1nc(-c2ccc(OC)cc2OC)no1 219570242 SBCHJOBUKKRRLG-QGZVFWFLSA-N 441.484 3.578 0 40 IHAB COc1ccc(NC(=O)[C@@H](C)N(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1OC 220246867 QETRNLRHHQILGR-LLVKDONJSA-N 447.340 3.804 0 40 IHAB CC[C@@H](C(=O)Nc1cccc(C(=O)OC)c1C)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220570636 DAWKUTLVMDUCHI-FQEVSTJZSA-N 432.542 3.582 0 40 IHAB CC[C@@H](C(=O)NCCCc1ccccc1)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 222496378 AOUBEHBUFXDJBP-SFHVURJKSA-N 438.977 3.642 0 40 IHAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCC3CCCCC3)Oc3ccc(C)cc32)cc1 224506435 BMCCILWTHHQJOX-QHCPKHFHSA-N 442.581 3.956 0 40 IHAB CCOC(=O)N1CCN(C(=O)c2ccc(OCC)c(COCc3ccccc3)c2)CC1 224751766 AXOHRSHMPNVUMR-UHFFFAOYSA-N 426.513 3.716 0 40 IHAB CC(C)Oc1cccc(N(CCCC(=O)NCCc2ccc(F)cc2)S(C)(=O)=O)c1 224909594 AUMCMLKLDHKWMP-UHFFFAOYSA-N 436.549 3.518 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3c(Cl)cccc3Cl)CC2)cc1 225353746 GWIITOQKIYRSKM-UHFFFAOYSA-N 441.380 3.768 0 40 IHAB CCCn1c(=O)sc2cc(S(=O)(=O)NCCSCc3ccc(C)cc3)ccc21 225722908 NRBQPCIMZOINBC-UHFFFAOYSA-N 436.624 3.993 0 40 IHAB CCc1ccc([C@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)cc1 248271123 VUJVJOZZDXQWFL-PXNSSMCTSA-N 430.570 3.536 0 40 IHAB O=C1N(Cc2ccsc2)CCO[C@]12CN(CCc1ccccc1)C[C@@H]2c1cccnc1 306131409 KDUFRPLLOXSLFE-NOZRDPDXSA-N 433.577 3.583 0 40 IHAB COc1cc(OC)cc(-c2nnc(S/C(=C\c3cccc(OC)c3OC)C(=O)O)o2)c1 408634504 VNNRLBXXZVCSQD-YVLHZVERSA-N 444.465 3.989 0 40 IHAB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2cccc(Cl)c2Cl)cc1C 408644155 DKJZTHWASPXXJK-UHFFFAOYSA-N 444.336 3.956 0 40 IHAB C[C@@H]1CC[C@@H]2C(=O)N(c3cccc(C(=O)OCC(=O)Nc4ccc(F)cc4)c3)C(=O)[C@@H]2C1 408653839 AUNBUEHEWYKOPA-VOBQZIQPSA-N 438.455 3.547 0 40 IHAB C[C@H](C(=O)N1CCCCCC1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408685497 QVPANNCENICCSS-YRVROWLNSA-N 428.532 3.670 0 40 IHAB CCOc1cc(/C=C2/NC(=S)NC2=O)c(Br)cc1OCc1ccccc1 408849325 WBJONUFEITVRHI-OVCLIPMQSA-N 433.327 3.772 0 40 IHAB O=C(Nc1ccccc1)Nc1cccc2c1CCN(C(=O)[C@@]13[C@@H]4[C@H]5C(=O)[C@H]1[C@@H]1[C@@H]5C[C@@H]4[C@@H]13)C2 503605126 RXIFRKXQRFMSTM-TVWWAPNBSA-N 439.515 3.542 0 40 IHAB Cc1c(C(=O)N2CCn3cc(CC(=O)NCc4ccco4)nc3[C@@H]2C)oc2ccccc12 585097307 IJBWUZDCUYLDFW-INIZCTEOSA-N 432.480 3.607 0 40 IHAB O=C1NCCN(C(=O)CCCOc2ccccc2F)[C@H]1Cc1ccc(-c2ccncc2)cc1 585169060 ZRZDVHBNSCTIEL-QHCPKHFHSA-N 447.510 3.616 0 40 IHAB OC1(COc2ccccc2F)CCN(Cc2ccc(OCCCn3cccn3)cc2)CC1 585273040 MWSALAJSYPRBGC-UHFFFAOYSA-N 439.531 3.897 0 40 IHAB CCN1CCCCN(C(=O)c2ccnn2C)[C@@H](CC(C)C)COc2ccccc2C1=O 643582654 DTZFIFPFHKNZDF-IBGZPJMESA-N 426.561 3.612 0 40 IHAB CC(C)NC(=O)N1C[C@H]2CC[C@@H](CNC(=O)[C@H]3CC[C@H](C)CC3)N2Cc2ccccc21 1565556397 GRCWHFOHAIHMDM-BLKABHOGSA-N 426.605 3.900 0 40 IHAB Cc1cc(C(=O)N[C@H](c2ccccc2F)[C@@H](C)O)nn1-c1ccc(Br)cc1 1639769027 QTRVMJFYMUEYCJ-YJYMSZOUSA-N 432.293 3.934 0 40 IHAB O=c1c2ccccc2n(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)c(=O)n1C1CC1 1889285788 AHQRYLFIVHNBTA-UHFFFAOYSA-N 428.370 3.615 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NC3CCCCCC3)cc2)cc1 667672 YMSPXDLKHVOHQL-UHFFFAOYSA-N 432.542 3.714 0 40 IHAB O=C(NCCS(=O)(=O)c1ccc(Br)cc1)c1cccc(C(F)(F)F)c1 1391950 JVLXHIOCWRXQOL-UHFFFAOYSA-N 436.249 3.672 0 40 IHAB COc1ccc(-n2c(SCC(=O)NC3CCCC3)nc3ccccc3c2=O)cc1OC 3286767 YYLRBEQGCOZBLB-UHFFFAOYSA-N 439.537 3.554 0 40 IHAB CCCCCOc1ccc(-c2nc3s/c(=C\c4ccc(OC(C)=O)cc4)c(=O)n3n2)cc1 3649038 XDKJESGMJWHGAB-QNGOZBTKSA-N 449.532 3.860 0 40 IHAB COc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)c2ccc(-c4ccc(OC)cc4)c(=O)n2C3)cc1 4237059 NNOGHXYKCNKGLX-FXAWDEMLSA-N 430.504 3.792 0 40 IHAB biogenic,in-vitro CCn1c(CC(=O)Nc2ccccc2C)nnc1SCC(=O)N[C@H]1CCCC[C@H]1C 4816162 HDEGFTGIXYLFDK-AEFFLSMTSA-N 429.590 3.575 0 40 IHAB COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccc(N2CCN(C)CC2)cc1 6287967 XGVJAKOOVVRIQU-UHFFFAOYSA-N 434.565 3.727 0 40 IHAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)CSc1nnc(-c2ccco2)n1N 8719028 INICMGAADQADKF-UHFFFAOYSA-N 441.435 3.790 0 40 IHAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CSc1ncnc3sc(C)c(C)c13)n2CC 8725280 XWSYTSTUVWIRSO-UHFFFAOYSA-N 444.586 3.620 0 40 IHAB O=C(COc1ccc(F)cc1)Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCCC2 8779063 ISEAVOAVVCFVLX-INIZCTEOSA-N 432.517 3.692 0 40 IHAB COc1ccccc1-n1nnnc1SCCS(=O)(=O)c1cc(Cl)ccc1Cl 8861209 ZOMPTKWREODOMY-UHFFFAOYSA-N 445.353 3.544 0 40 IHAB CCc1nc2ccc(C(=O)N(C)CC(=O)Nc3ccc(F)c(F)c3F)cc2nc1CC 8877639 FDLWJLWEWDIGTN-UHFFFAOYSA-N 430.430 3.883 0 40 IHAB Cc1cc(C)cc(N2CCCn3c2nc2c3c(=O)n(Cc3cccc(Cl)c3)c(=O)n2C)c1 9160277 XYLYXRRZGKIOAI-UHFFFAOYSA-N 449.942 3.757 0 40 IHAB Cc1cc2nc(NC3=N[C@@H](O)C=C(CSc4nc5ccccc5[nH]4)N3)nc(C)c2cc1C 9246497 VJXXCUANYZWMES-FQEVSTJZSA-N 445.552 3.797 0 40 IHAB CCn1c(CC(=O)Nc2ccc(C)cc2C)nnc1SCC(=O)Nc1nc(C)cs1 9262392 BWDZLLAXSLZRCD-UHFFFAOYSA-N 444.586 3.592 0 40 IHAB COc1ccc(CNC(=O)Cc2csc(-c3ccc(OC)c(OC)c3)n2)cc1OC 9305618 LRXKHTAKPHODRO-UHFFFAOYSA-N 428.510 3.703 0 40 IHAB CCN1C(=O)[C@@]2(c3ccccc31)c1c(oc3cc(C)c(C)cc3c1=O)C(=O)N2CCCOC 9431975 PZMNRSZLSCNTNP-AREMUKBSSA-N 446.503 3.512 0 40 IHAB O=C(NC(c1ccccc1)c1ccccc1)N[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 9568784 UAEXXXCHBUGUPL-FQEVSTJZSA-N 443.503 3.652 0 40 IHAB COc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3Cl)C2=O)c(OC)c1 9666102 JVVUIYYWSKJOGV-FQEVSTJZSA-N 437.279 3.661 0 40 IHAB CCc1ccc(Nc2nc(Nc3ccc(OC)c(OC)c3)nc(N3CCOCC3)n2)cc1 9708846 LMFCEVUPORTJSZ-UHFFFAOYSA-N 436.516 3.775 0 40 IHAB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1)Nc1ccccc1C(F)(F)F 9846001 QKUAFBIFGYJXJK-GFCCVEGCSA-N 440.805 3.894 0 40 IHAB COc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cccc(C(F)(F)F)c4)ccn3n2)cc1 10273939 CLIQLRQSLQRKOT-UHFFFAOYSA-N 442.397 3.829 0 40 IHAB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c1 10445503 YZAWBWQNYGINHS-CQSZACIVSA-N 438.933 3.618 0 40 IHAB Cc1cc(N2CCCCS2(=O)=O)cc(C)c1S(=O)(=O)Nc1ccccc1Cl 12004450 NZDYMTUPQPBANM-UHFFFAOYSA-N 428.963 3.688 0 40 IHAB COc1ccc(OC)c(NC(=O)c2cc(-c3cccnc3)c(N3CCOCC3)s2)c1 12222586 JRJNEVQURMZJNE-UHFFFAOYSA-N 425.510 3.916 0 40 IHAB CCc1cc2cc3c(cc2nc1SCC(=O)N1CCN(c2ccccc2)CC1)OCO3 12499991 ZNKPSIOQEXGSGQ-UHFFFAOYSA-N 435.549 3.967 0 40 IHAB O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1cc2c(nc3sccn32)s1 12547692 WMNDBTLRFILOEV-MRXNPFEDSA-N 430.530 3.553 0 40 IHAB CCn1c(/C(Cl)=C/c2cccc(O)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 12559440 IVIHSQCTVAQPAE-AQTBWJFISA-N 447.944 3.520 0 40 IHAB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cccc(Br)c2)N1C(C)=O 12661807 VXHCBMUTXVNYLG-ICSRJNTNSA-N 427.298 3.966 0 40 IHAB biogenic CC(C)(C)c1ccc(NC(=O)/C=C/c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 12772429 FUXOAAPGWWJEDF-AWNIVKPZSA-N 428.554 3.657 0 40 IHAB C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NCc1ccc(Cn2cncn2)cc1 12874725 MHDYZMGREJKBAO-ZDUSSCGKSA-N 449.736 3.826 0 40 IHAB CCC(=O)N(c1nnc(SCC(=O)Nc2cc(C)nn2-c2ccccc2)s1)C1CC1 12915542 JBNXTUASQJBBIZ-UHFFFAOYSA-N 442.570 3.668 0 40 IHAB CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)[C@H]1CC(=O)N(C2CCCC2)C1 13109805 ZPNBYTYPRKSRBD-HNNXBMFYSA-N 430.936 3.918 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)N2CCC[C@@H](C)C2)c2cccc(Cl)c2)cc1 13676690 ZKWKDTNNRDNUCZ-MRXNPFEDSA-N 436.961 3.802 0 40 IHAB COc1ccc(CCS(=O)(=O)Nc2ccc(CC(=O)NCc3cccs3)cc2)cc1 13850483 NGWYSYNYRJXZGU-UHFFFAOYSA-N 444.578 3.600 0 40 IHAB O=C(CCCc1nc2ccccc2s1)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 14232242 KLLCPYVVQHYDFQ-FQEVSTJZSA-N 427.545 3.948 0 40 IHAB CC(C)(C)C1CCC2(CC1)NC(=O)N(CN1CCC[C@H](C(=O)Nc3ccccc3)C1)C2=O 14254039 LYMFEOTYEZFKAH-ONSGGECDSA-N 440.588 3.822 0 40 IHAB COc1ccc(C(=O)Oc2ccc(Br)cc2F)cc1S(=O)(=O)NC(C)C 14775235 RKRFUQMMBLTRKN-UHFFFAOYSA-N 446.294 3.503 0 40 IHAB COc1ccc(OC)c(C(=O)O[C@H](C)C(=O)Nc2ccc(Br)cc2F)c1 17005835 VYJLSUXPTXUEKS-SNVBAGLBSA-N 426.238 3.789 0 40 IHAB CC(C)C(=O)N1CCCc2cc([C@H](O)CN3CCC(O)(c4ccccc4F)CC3)ccc21 19085722 BHWPQVIZBMKNET-XMMPIXPASA-N 440.559 3.778 0 40 IHAB CN(C)c1ncc(-c2cncnc2)c([C@@H]2CCN(C(=O)CCc3ccc(Cl)cc3)C2)n1 19694996 BBKAPBRXBGSMAH-QGZVFWFLSA-N 436.947 3.602 0 40 IHAB Cc1nccn1CCC(=O)N1CC[C@H](c2cc(COc3cccc(C(F)(F)F)c3)[nH]n2)C1 19704694 NYVMLAAPGMIVQP-INIZCTEOSA-N 447.461 3.919 0 40 IHAB Cc1nc([C@@H]2CCCN(C(=O)c3cnn(C)c3)C2)nc2c1CCCN2Cc1ccc(F)cc1 19707032 ZHRWESCJKCMKSW-LJQANCHMSA-N 448.546 3.630 0 40 IHAB CC(=O)N(C)Cc1cc(N(C)C)nc(C2CCN(Cc3ccccc3OC(C)C)CC2)n1 19752045 YKPCTQMNJHEANH-UHFFFAOYSA-N 439.604 3.688 0 40 IHAB Cc1nc([C@@H]2CCCN2C(=O)c2ccc(F)cc2)ncc1C(=O)NCc1ccc(F)cc1 19753297 VISGOPGWLRDXQZ-NRFANRHFSA-N 436.462 3.971 0 40 IHAB Cc1ccc(F)cc1NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1 19935565 DHDHLEOKKRXUGP-UHFFFAOYSA-N 426.897 3.590 0 40 IHAB Cc1cc(C)cc(OCc2nnc(SCC(=O)Nc3ccc(CC(=O)O)cc3)o2)c1 20197025 CXBLRXUALHZVSE-UHFFFAOYSA-N 427.482 3.623 0 40 IHAB COc1ccc(-c2nc3n(n2)[C@@H](CC(=O)Nc2cc(Cl)cc(Cl)c2)C(=O)N3)cc1 20732798 FWFVPLYVSHHFRY-HNNXBMFYSA-N 432.267 3.783 0 40 IHAB Cc1ccc(C(=O)Nc2ccc(C(=O)OCc3cc(=O)n4cc(C)sc4n3)cc2)cc1 21633222 QPPLEQHMSHGWJB-UHFFFAOYSA-N 433.489 3.982 0 40 IHAB Cc1ccc2c(=O)c(-c3nc(-c4ccccc4C)no3)cn(CC(=O)NC3CCCC3)c2n1 21655019 JGDYESKBVBZQOO-UHFFFAOYSA-N 443.507 3.789 0 40 IHAB CCOc1ccc(OCC)c(NC(=O)CSc2nccnc2N2CCSCC2)c1 21656932 WTVBLJGGDHURMM-UHFFFAOYSA-N 434.587 3.558 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)NCc1ccccc1Cl 22248483 LZBSNMIHZQEVAS-UHFFFAOYSA-N 445.368 3.719 0 40 IHAB CN(CCOc1ccc(Cl)cc1)C(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 22402825 WYSULNVMUITSMA-UHFFFAOYSA-N 425.916 3.927 0 40 IHAB COc1cc(S(=O)(=O)Nc2ccccc2F)cc(C(=O)Nc2ccccc2)c1OC 22589765 FBPBGNZCLBXYJZ-UHFFFAOYSA-N 430.457 3.896 0 40 IHAB CC(=O)N1CCc2cc(Nc3nc(CN4CCOCC4)nc4sc5c(c34)CCC5)ccc21 22803423 LPUVIKJTRWGHKN-UHFFFAOYSA-N 449.580 3.665 0 40 IHAB Cc1sc2nc(CN3CCOCC3)nc(NS(=O)(=O)/C=C/c3ccccc3)c2c1C 23425631 NCJIMVVKDYRJGP-MDWZMJQESA-N 444.582 3.553 0 40 IHAB O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)OCC(=O)c1ccc2c(c1)CCC2 23642317 SOPDXZNAQFRFHF-UHFFFAOYSA-N 432.259 3.504 0 40 IHAB C[C@H](c1nc(-c2ccccc2)no1)N1CCN(C(=O)COc2ccccc2Cl)CC1 24820499 GDOVKFUOYPLAOH-MRXNPFEDSA-N 426.904 3.674 0 40 IHAB COc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2NC(N)=Nc3nc4ccccc4n32)cc1 25386815 PPVBNRDZNHCFMM-QHCPKHFHSA-N 435.491 3.994 0 40 IHAB Cc1nc(-c2cc(C)n(CC(=O)NC3CCN(C(=O)c4ccoc4)CC3)c2C)cs1 25520067 NUHASIXPCQVDFP-UHFFFAOYSA-N 426.542 3.551 0 40 IHAB COc1cccc([C@@H](CNC(=O)c2csc(-c3ccc(OC)c(OC)c3)n2)N(C)C)c1 26244927 JNTQQJLCXVYSDX-LJQANCHMSA-N 441.553 3.869 0 40 IHAB Cc1ccc([C@@H](CN2CCOCC2)NC(=O)Cc2nc(-c3cccs3)oc2C)cc1 26289678 JQMQNYWDTALXDU-HXUWFJFHSA-N 425.554 3.752 0 40 IHAB CCCNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 27398537 IWVDDGWARDXVDJ-CQSZACIVSA-N 444.329 3.581 0 40 IHAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 30064382 VWSFJLOCCMPCHF-INIZCTEOSA-N 430.570 3.591 0 40 IHAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)[C@H]1CC(=O)N(c2ccc(SC)cc2)C1 31179082 ZJDBGXAKBSDXMN-AWEZNQCLSA-N 447.507 3.527 0 40 IHAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)n2nnc(-c3cccc(C(F)(F)F)c3)n2)c1 31684279 DEECORDIQBGVPM-CHWSQXEVSA-N 449.433 3.815 0 40 IHAB COc1cc(CCC2CCN(C(=O)[C@@H]3CCCN(c4ncccn4)C3)CC2)cc(OC)c1 32795885 JELACIPDGQTDPD-OAQYLSRUSA-N 438.572 3.582 0 40 IHAB COc1ccc(N(Cc2ccco2)C(=O)C2=C(c3ccccc3)S(=O)(=O)CCO2)cc1 35673286 PKHLBDONZXKBPQ-UHFFFAOYSA-N 439.489 3.635 0 40 IHAB O=C(NCCc1csc2nc(-c3cccs3)nn12)C1(c2ccccc2)CCOCC1 38669690 OHJYGVFAGXQOEQ-UHFFFAOYSA-N 438.578 3.926 0 40 IHAB C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1)c1nc2ccccc2[nH]1 40069089 POAGRRRQUFESCJ-CHWSQXEVSA-N 427.302 3.556 0 40 IHAB COC(=O)c1ccc(OC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)c(OC)c1 40160266 OFWCHSGLSBXRHW-PSNSNTLYSA-N 441.524 3.595 0 40 IHAB COc1ccc(-c2nnc3sc(NC(=O)COc4cccc(C)c4C)nn23)cc1OC 41076491 IRDXARZDNDFPMB-UHFFFAOYSA-N 439.497 3.504 0 40 IHAB Cc1ccc([C@H](C)NC(=O)CN(c2ccc(Br)c(C)c2)S(C)(=O)=O)cc1 44880087 BJCJMJFZTPENAP-HNNXBMFYSA-N 439.375 3.709 0 40 IHAB COC(=O)C1=C(C)Nc2nc(SCc3ccccc3)[nH]c(=O)c2[C@@H]1c1cccc(O)c1 44973652 QKUVNSOPDOVMBI-GOSISDBHSA-N 435.505 3.772 0 40 IHAB COCCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3cc(F)ccc3C)c2c1=O 48988094 OHMKXIAVZHXUDF-UHFFFAOYSA-N 434.471 3.598 0 40 IHAB O=C(CN1C(=O)N[C@@H](c2cccc(Cl)c2)C2=C1COC2=O)Nc1ccccc1Cl 49403019 KAIMLLCZHIYLBS-SFHVURJKSA-N 432.263 3.509 0 40 IHAB CC(C)CCn1c(=O)c2sccc2n(CC(=O)Nc2nc3ccccc3s2)c1=O 57485978 JPQCAKJDUGRQGQ-UHFFFAOYSA-N 428.539 3.519 0 40 IHAB Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)Nc3cc(F)ccc3Cl)c2=O)c1 57490251 VFRINNBIXDCMKU-UHFFFAOYSA-N 443.887 3.954 0 40 IHAB CC(C)Cc1ccc(C(=O)C2CCN(C(=O)[C@@H](Cc3ccccc3)n3cnnn3)CC2)cc1 58004711 BJWJGZXDNRNIFU-XMMPIXPASA-N 445.567 3.777 0 40 IHAB Cc1ccc(C(=O)/N=c2/sccn2Cc2ccccc2Cl)cc1NS(C)(=O)=O 58648207 XRZGAZQVZXLUKS-XUTLUUPISA-N 435.958 3.672 0 40 IHAB COC(=O)C[C@H](NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1)c1ccc(OC)c(OC)c1 59257908 SANDSQXJJJSHPL-INIZCTEOSA-N 429.517 3.567 0 40 IHAB O=C([C@@H]1CCCN(c2cc(-n3cccn3)ncn2)C1)N(Cc1ccccc1)c1ccccn1 70638096 HDSFZCOIEQTPRF-OAQYLSRUSA-N 439.523 3.507 0 40 IHAB Cc1cc(S(=O)(=O)N2CCC[C@@H](c3cccc(Nc4ncccn4)n3)C2)ccc1F 72376086 RZPUSXJOMFIHFG-MRXNPFEDSA-N 427.505 3.631 0 40 IHAB O=C(Nc1ccccc1-c1ccccc1)[C@H]1CCCN(c2ccc(-n3cncn3)nn2)C1 96124097 GFQPPCVHJNZKGK-IBGZPJMESA-N 425.496 3.579 0 40 IHAB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1ccc(F)cc1 100398466 DWATYEFPQXBCNU-KDURUIRLSA-N 440.858 3.670 0 40 IHAB Cc1cc(C)c(C)c(OCC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)c1 216468731 XVIDIQHFYYWTLI-UHFFFAOYSA-N 425.510 3.825 0 40 IHAB Cc1ccc(OC[C@@H](C)NC(=O)CN2c3ccccc3-c3ccccc3S2(=O)=O)cc1 219157756 NQBQXWSIYSXTAY-GOSISDBHSA-N 436.533 3.754 0 40 IHAB Cc1ccc2c(c1)[C@H](NC(=O)c1cccc(N3CCCCS3(=O)=O)c1)CC(C)(C)O2 222561921 FKICXOFNBHBSLS-HXUWFJFHSA-N 428.554 3.957 0 40 IHAB CSc1nnc(NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)s1 222799470 YQYPSVVDDUXTCI-UHFFFAOYSA-N 448.595 3.711 0 40 IHAB COc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(OC)cc3OC)c2)cc1 224037777 YVAHRPMGUCNMKL-UHFFFAOYSA-N 442.493 3.766 0 40 IHAB CC[C@H](C(=O)Nc1nnc(-c2ccc(C)cc2)s1)N(c1ccccc1F)S(C)(=O)=O 224113984 XMKKPKAZHJHPOA-MRXNPFEDSA-N 448.545 3.836 0 40 IHAB Cc1cccc(N(CCCC(=O)NCCOc2ccc(Cl)cc2)S(C)(=O)=O)c1C 224742840 MPOGYVASELJMLR-UHFFFAOYSA-N 438.977 3.698 0 40 IHAB O=C(NCCSC1CCCC1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 224945965 LGIYQYZGRQKNLJ-KRWDZBQOSA-N 445.050 3.674 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(Cl)c(C(F)(F)F)c2)cc1F 225109144 IKQHYBVDEYUNKH-UHFFFAOYSA-N 441.786 3.786 0 40 IHAB Cc1cccc(C)c1N(CC(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C)S(C)(=O)=O 225140300 RWRPRDKYIPHNPU-UHFFFAOYSA-N 447.582 3.665 0 40 IHAB CCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)COc1cc(OC)cc(OC)c1 225273957 NIYADHSVABDFCM-QFIPXVFZSA-N 446.519 3.555 0 40 IHAB Cc1ccccc1-n1c(CC2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)n[nH]c1=O 225546881 FANSOVOFZIXXEU-UHFFFAOYSA-N 441.535 3.755 0 40 IHAB COc1ccccc1CNC(=O)CN1CCC[C@@](COc2ccc(C)cc2)(OC)CC1 257237401 HGGWGNYWOPFNMT-RUZDIDTESA-N 426.557 3.570 0 40 IHAB COc1ccc(C2(C(=O)N3CCOC[C@H](Cc4nccn5cccc45)C3)CCCC2)cc1 257275175 NOFARMYLHNOLNO-HXUWFJFHSA-N 433.552 3.872 0 40 IHAB COc1cccc(C(=O)N2CCO[C@H](c3cc(Nc4nnc(C)s4)cc(C)n3)C2)c1 257321788 WDGAVQBZVJEEBU-IBGZPJMESA-N 425.514 3.516 0 40 IHAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@@H](CC)c1ccc(OC)cc1 260767023 KTIUAFCNPIFLQN-SFTDATJTSA-N 434.558 3.516 0 40 IHAB CC(C)n1cnc([C@H]2CN(Cc3cccs3)C[C@]23CCN(Cc2ccncc2)C3=O)c1 306123140 AFNOWIHCNVJUDF-ZJSXRUAMSA-N 435.597 3.939 0 40 IHAB COc1ccc(-c2ccc3c([C@H]4CN(C(=O)c5ccc(C)cc5)CCO4)nnn3c2)cc1 306134135 NECSFMBDWXDLNC-HSZRJFAPSA-N 428.492 3.927 0 40 IHAB CCCCNC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 408545894 BFHRTTVVVBRIKD-GOSISDBHSA-N 445.585 3.627 0 40 IHAB CCN(CC)C(=O)c1ccccc1NC(=O)[C@@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 408607507 MRHZTUZYZDWLMT-GOSISDBHSA-N 445.585 3.579 0 40 IHAB Cc1cccc(NC(=O)COc2ccc(/C=c3/sc4nc5ccccc5n4c3=O)cc2)c1 409006325 IRHRUXVQEPBHIF-HYARGMPZSA-N 441.512 3.783 0 40 IHAB COc1ccc(CNC(=O)CN2C(=O)S/C(=C\c3cc(C)c(OC)cc3C)C2=O)cc1 409200209 HLVBMEWISCFSGJ-JAIQZWGSSA-N 440.521 3.673 0 40 IHAB CCN1CCC(N2CCCCCCCN(C(=O)COC)c3ccc(C(=O)O)cc3C2)CC1 643583041 ITTGTZTUOLJWOA-UHFFFAOYSA-N 445.604 3.615 0 40 IHAB CCn1cc(C(=O)N2CCCC3=C[C@H]4C[C@@H](CN5CCCC[C@H]45)[C@H]32)c(=O)c2ccc(C)nc21 888088089 DOQURURDRCHPEJ-JVODISISSA-N 446.595 3.760 0 40 IHAB biogenic CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3nc4ccccc4s3)cc2)s1 1771859 BAIITTRNRJELLP-UHFFFAOYSA-N 445.551 3.763 0 40 IHAB O=C1CCC(=O)N1c1nc2n(n1)[C@@H](c1ccc(F)cc1)C[C@H](c1ccc(Cl)cc1)N2 2407054 YPYGXEZQTLACRU-IAGOWNOFSA-N 425.851 3.870 0 40 IHAB COCCCn1c(N)c(S(=O)(=O)c2ccc(Cl)cc2)c2nc3ccccc3nc21 2427545 IVMVDZYXMRSVOW-UHFFFAOYSA-N 430.917 3.689 0 40 IHAB O=C(COC(=O)COc1ccc(OCc2ccccc2)cc1)Nc1ccc2c(c1)OCCO2 3377951 HYPODXLNESQEGG-UHFFFAOYSA-N 449.459 3.598 0 40 IHAB Cc1cc(C)cc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)c1 3947373 KYQMKJBJRXPZHP-UHFFFAOYSA-N 429.498 3.727 0 40 IHAB CCc1ccc(N(CC(=O)NC2CCCCC2)C(=O)CNC(=O)c2cccs2)cc1 4875783 YWUJHWJFEYUTNJ-UHFFFAOYSA-N 427.570 3.522 0 40 IHAB COc1ccc([C@H](CNC(=S)NCc2ccc3c(c2)OCO3)N2CCCCC2)cc1 6336570 LKJFGKBWINVKLK-FQEVSTJZSA-N 427.570 3.615 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)NCCC(C)C)C2CCCCC2)cc1Cl 6357859 PHIQRXLGVYKIMF-UHFFFAOYSA-N 430.998 3.834 0 40 IHAB CC(C)(C)NC(=O)CN1CCCN(c2ncnc3cc(-c4ccc(F)cc4)sc23)CC1 8727621 XTIQQKNQAQCVEI-UHFFFAOYSA-N 441.576 3.924 0 40 IHAB C[C@@H](NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)c1ccc(-c2ccccc2)cc1 8890615 BDMKSAKDDQRWGD-CLYVBNDRSA-N 439.515 3.924 0 40 IHAB COc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3nc(C)c(C)s3)n2C)cc1OC 9289927 UHTVDGNYKAYAFD-GFCCVEGCSA-N 433.559 3.692 0 40 IHAB COc1ccc(NC(=O)CSc2nnc(NC(=O)c3ccc(OC)cc3)s2)cc1 9364649 OEOSWJHXSHYYHJ-UHFFFAOYSA-N 430.511 3.538 0 40 IHAB CCCn1c(=O)c2ccccc2n2c(S[C@@H](C(=O)N3CCCC3)c3ccccc3)nnc12 9549466 IPORWYREOXEVML-HXUWFJFHSA-N 447.564 3.910 0 40 IHAB CCCn1c(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)nc2ccccc21 9592910 COZNDGNVFOZHRH-UHFFFAOYSA-N 426.542 3.873 0 40 IHAB C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)C1=O 9602513 ZUMXEDNOIQXZHY-NVQXNPDNSA-N 427.504 3.801 0 40 IHAB CC(=O)N1CCc2c(sc(NC(=O)c3sc4ccccc4c3Cl)c2C(N)=O)C1 9639492 ZWXSXEASESZGPX-UHFFFAOYSA-N 433.942 3.872 0 40 IHAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 9668839 JTMUIBRYJJNNCE-MRXNPFEDSA-N 447.538 3.749 0 40 IHAB C[C@H](NC(=O)CSc1ncnc2c1cnn2-c1ccccc1)c1ccc2c(c1)OCCO2 9951292 XGHADFNIIRBZSQ-HNNXBMFYSA-N 447.520 3.556 0 40 IHAB O=C(C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)N1CCC[C@H]1c1ccccc1 9957537 DIJUDEAMDASESJ-FQEVSTJZSA-N 434.508 3.729 0 40 IHAB CCn1c(C)cc(O)c(C(c2ccc(Cl)cc2)c2c(O)cc(C)n(CC)c2=O)c1=O 10217758 OZIITMQIDHQDAT-UHFFFAOYSA-N 428.916 3.911 0 40 IHAB CN(C)S(=O)(=O)c1cccc(NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)c1 11771583 ZPYFJIVIFWACNK-UHFFFAOYSA-N 436.493 3.635 0 40 IHAB CCN(CC)C(=O)CN1CCC(Oc2ncnc3c2c(C)c(C)n3C2CCCC2)CC1 12133607 KDLHMWFKEAUNEC-UHFFFAOYSA-N 427.593 3.875 0 40 IHAB CC[C@@H]1Oc2ccc(C(=O)c3ccco3)cc2N(CC(=O)Nc2ccc(N(C)C)cc2)C1=O 12222090 GEOVNHIRIPORQF-FQEVSTJZSA-N 447.491 3.719 0 40 IHAB CCOc1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)cc1S(=O)(=O)N(C)C 12690129 PIPBIILLFVRYDC-UHFFFAOYSA-N 432.473 3.987 0 40 IHAB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)N[C@H]1CCOc2ccccc21 12698924 LYOAVBJTPGFBHS-QFIPXVFZSA-N 436.533 3.518 0 40 IHAB CCOC(=O)[C@@H](NC(=O)Cc1ccc(OC)cc1)c1c(C)nn(-c2ccc(F)cc2)c1C 12787489 KVZMAHMNZDCGRV-QHCPKHFHSA-N 439.487 3.600 0 40 IHAB Cc1ccc(NC(=O)CN(C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1Br 12931483 AXGSJWGBXAIFPB-HNNXBMFYSA-N 428.334 3.970 0 40 IHAB O=C(CSc1nnc(-c2ccco2)o1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 12974376 NTIQAWFMNJAXCU-HNNXBMFYSA-N 427.482 3.947 0 40 IHAB CCC(C)(C)NC(=O)[C@H](c1ccccc1C)N(C(=O)Cn1nnc2ccccc21)C1CC1 13024299 KHMYBNZDHRLKAC-QHCPKHFHSA-N 433.556 3.777 0 40 IHAB C[C@H]1CN(S(=O)(=O)c2cc(C(=O)Nc3ccc4c(c3)CCC4)ccc2Cl)C[C@H](C)O1 13100992 ZMKVWPWSVYLSEZ-GJZGRUSLSA-N 448.972 3.879 0 40 IHAB O=c1cc(CSCc2cc(=O)n3c(-c4ccccc4)csc3n2)nc2ccccn12 13149221 FHAMBGWPJGUYTQ-UHFFFAOYSA-N 432.530 3.864 0 40 IHAB O=C(C[C@H]1C(=O)N(c2ccccc2)C(=S)N1Cc1ccco1)NCCc1ccccc1 13423986 AWMYHQCAZRDGNU-NRFANRHFSA-N 433.533 3.531 0 40 IHAB COc1ccc(OC)c2[nH]c(C(=O)N[C@H](C(=O)NCc3ccco3)c3ccccc3)cc12 13724582 QAEQWHLSEZKICT-NRFANRHFSA-N 433.464 3.566 0 40 IHAB O=C([C@@H]1CN(C(=O)[C@@H]2COc3ccc(Cl)cc3C2)c2ccccc2O1)N1CCCCC1 13986180 AZBRIOPJCGDHHK-JTSKRJEESA-N 440.927 3.698 0 40 IHAB COc1ccc(-c2nnc([C@H](C)Sc3nnc(Cc4ccccc4F)n3N)o2)cc1 14138810 VBULYLXFHGDGCN-LBPRGKRZSA-N 426.477 3.634 0 40 IHAB CC(C)NS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccccc2Br)cc1 14252743 BRNANZZIYNKVSE-CYBMUJFWSA-N 425.348 3.627 0 40 IHAB CC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccc(OC)cc1 17798267 JKANZCAURLRJQU-QFIPXVFZSA-N 430.570 3.672 0 40 IHAB Cc1ccc2c(C(=O)CN3CCC(O)(Cn4ncc5ccccc54)CC3)c(C)n(C)c2c1 19221434 GRVZXBKQEUVQSR-UHFFFAOYSA-N 430.552 3.855 0 40 IHAB O=C(C[C@H]1C=CCC1)N1CCCC[C@H]1c1nc(=O)c2c([nH]1)CN(Cc1cccs1)CC2 19343675 KRDIPOAUYWQLDT-UWJYYQICSA-N 438.597 3.800 0 40 IHAB CC1CCN(CC(=O)N[C@@H](Cc2cc(O)nc(-c3ccncc3)n2)c2ccc(F)cc2)CC1 19496879 VZFCHFPMDJGMKX-QFIPXVFZSA-N 449.530 3.515 0 40 IHAB CCCc1cc(C(=O)N2CCC(c3cc(C(=O)NCc4cccs4)on3)CC2)no1 19525290 DIZOUOCFPHQHKN-UHFFFAOYSA-N 428.514 3.626 0 40 IHAB COc1ccc(C(=O)N2Cc3ccccc3OC3(CCC(N4CCOCC4)CC3)C2)cc1 19553177 SCDHIDLJFLIHSP-UHFFFAOYSA-N 436.552 3.744 0 40 IHAB CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@@H]2CCCN(C(=O)CC3CCCC3)C2)n1 19694029 OBFPFEVJUHFCCC-HXUWFJFHSA-N 435.572 3.595 0 40 IHAB COc1c(C)cccc1CN1CC[C@H](c2cc(C(=O)N(C)CCO)c3ccccc3n2)C1 19761967 NEZZXFMPKZJSSU-IBGZPJMESA-N 433.552 3.606 0 40 IHAB CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@@H]1c1ccncc1 19820400 FXRUELOIRHGMOE-FCHUYYIVSA-N 426.476 3.747 0 40 IHAB CNc1nc(N2CCN(Cc3ccccc3)CC2)nc2c1C(=O)C[C@H](c1ccccc1)C2 20478168 BRNAQHDJLNISJV-OAQYLSRUSA-N 427.552 3.753 0 40 IHAB COc1cc(C(C)=O)ccc1O[C@H](C)C(=O)Nc1cccc(I)c1 21573060 VWEPYXYSZUTISW-GFCCVEGCSA-N 439.249 3.908 0 40 IHAB Cc1cn2c(=O)cc(COC(=O)c3ccc(NC(=O)C4CCCCC4)cc3)nc2s1 21633270 MFALXYNSHGAVKL-UHFFFAOYSA-N 425.510 3.940 0 40 IHAB C[C@@H]1CCCN(C(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)CC2)C1 22531049 VYMZIMHDYNVOSG-CQSZACIVSA-N 433.401 3.794 0 40 IHAB Cc1nc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Br)sc1C 24042513 GKIYTSBEFKMWOX-UHFFFAOYSA-N 444.376 3.559 0 40 IHAB O=C(Nc1cccc(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)c1)c1cccs1 24136746 HAUQDYIKSSWSFY-UHFFFAOYSA-N 447.560 3.893 0 40 IHAB COc1ccc([C@H]2CCCCCN2C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)cc1 24775162 YTELFJZWRTVSNX-WIYYLYMNSA-N 436.508 3.921 0 40 IHAB Cc1ccc(NC(=O)/C=C/c2ccc3c(c2)CCO3)cc1S(=O)(=O)N1CCCCC1 26068261 BNNJOXXNMOSHTH-JXMROGBWSA-N 426.538 3.756 0 40 IHAB O=C(Nc1ccc2c(c1)OCO2)c1sc(CCN2CCCC2=O)nc1-c1ccccc1 30447849 DWJGZMVKBKGDER-UHFFFAOYSA-N 435.505 3.956 0 40 IHAB CC(C)c1nnc(SCC(=O)N2CCN(Cc3cccs3)CC2)n1Cc1ccco1 31172407 KOMZVIXGHBBUBA-UHFFFAOYSA-N 445.614 3.541 0 40 IHAB O=C(NC(=S)NC1C2CC3CC(C2)CC1C3)c1ccc(I)cc1 32119162 IPPPLCJDUIYQCQ-UHFFFAOYSA-N 440.350 3.720 0 40 IHAB CCCOC(=O)c1cccc(NC(=O)CSc2nnc(COc3ccccc3)n2C)c1 33714782 RRZVLOJRYYQNHV-UHFFFAOYSA-N 440.525 3.692 0 40 IHAB Cc1ccc(NC(=O)N[C@@H](Cn2ccnc2)C(C)(C)C)cc1S(=O)(=O)N1CCCCC1 40145705 BDEBTDHCLROMMI-FQEVSTJZSA-N 447.605 3.603 0 40 IHAB O=C(Nc1ccc(C(=O)NC2CCCC2)cc1)c1cccc(CN2C(=O)CSC2=O)c1 40150957 NPKZJQXJZOGLBP-UHFFFAOYSA-N 437.521 3.807 0 40 IHAB COc1cc([C@@H]2CC(=O)Nc3c(C(=O)O)cn(-c4ccc(F)cc4)c32)cc(OC)c1OC 40266565 KDZYBKMHIKSLQI-HNNXBMFYSA-N 440.427 3.815 0 40 IHAB COc1ccc(S(=O)(=O)NCCCc2ccc(OC(C)C)cc2)cc1N1CCCC1=O 44899914 SRFLQVFWOOSDOB-UHFFFAOYSA-N 446.569 3.520 0 40 IHAB Cc1ccc(-n2cnnc2SCC(=O)NCC(C)(C)N2C[C@@H](C)C[C@@H](C)C2)cc1C 58196840 BWUUPWICYFJYOE-CALCHBBNSA-N 429.634 3.849 0 40 IHAB Cc1ccc(Cl)cc1NC(=O)c1nnn(CC(=O)NCCc2ccc(Cl)cc2)c1C 71327448 YNXKIYMNHSVPIW-UHFFFAOYSA-N 446.338 3.813 0 40 IHAB CC(=O)c1[nH]c(C)c(C(=O)N2CC=C(n3c(C)nc(=O)c4cc(Cl)ccc43)CC2)c1C 72348309 WYSITLCXIWEZEL-UHFFFAOYSA-N 438.915 3.893 0 40 IHAB CC(=O)N1CCC[C@@H](c2ccccc2CC2(C(N)=O)CCN(Cc3ccccc3)CC2)C1 72372433 ZGSXFGNBNZSOMR-XMMPIXPASA-N 433.596 3.723 0 40 IHAB CCNC(=O)[C@@]1(Cc2cccc(-c3cccc(F)c3)c2)CCCN(C(=O)[C@H]2CCCO2)C1 72391567 GGUXXDCBQZXALD-ZEQKJWHPSA-N 438.543 3.959 0 40 IHAB Cc1ccc(O[C@@H](C)C(=O)N2CCC([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)CC2)cc1 72395617 POPQRJYSOKTPBD-JCGIZDLHSA-N 437.466 3.580 0 40 IHAB CCO[C@@H](C)c1noc(CN2CCCN(Cc3ncc(-c4ccc(F)cc4)o3)CC2)n1 78947700 UYEFGCKKYDMWAE-INIZCTEOSA-N 429.496 3.669 0 40 IHAB COc1ccc(CCNC(=O)CSCC(=O)N2C[C@@H](c3ccc(F)cc3)C[C@H]2C)cc1 89920277 PNLVMZQNBSNBDQ-XLIONFOSSA-N 444.572 3.631 0 40 IHAB COC(=O)Cn1nc(C)c(CNc2nc(-c3cccnc3)nc3sc4c(c23)CCC4)c1C 95455248 VREZNCVLDRWKFQ-UHFFFAOYSA-N 448.552 3.840 0 40 IHAB CS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)cn1 95997631 SSSUOPGVSHLCBU-LSDHHAIUSA-N 432.933 3.927 0 40 IHAB COc1ccc(C(=O)COc2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@H]6C[C@H]56)[C@@H]4C3=O)cc2)cc1 100638022 SYUJAWVNBGZCNK-XPUPLBFISA-N 429.472 3.514 0 40 IHAB O=C1[C@H]2Sc3[nH]c(=O)sc3[C@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 101943997 WJWCKMBMZIMZKF-YCPHGPKFSA-N 428.922 3.886 0 40 IHAB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N1CCC(c2nc3ccccc3s2)CC1 102871499 ASNUHCKIBYDKIK-IAGOWNOFSA-N 425.554 3.568 0 40 IHAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CN1C(=O)[C@H]3CCCC[C@@H]3C1=O)CC2 104746985 VMFRXLRGUXWEOY-SKPFHBQLSA-N 434.536 3.784 0 40 IHAB CC[C@@H](C(=O)NCc1ccc(OC(C)C)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 113949943 LLFHQFLSSZUGQU-FQEVSTJZSA-N 438.977 3.988 0 40 IHAB C[C@@H](C(=O)NCCSCc1ccccc1Cl)N(c1ccccc1F)S(C)(=O)=O 220298164 QCTBSEZASMUOCP-AWEZNQCLSA-N 444.981 3.683 0 40 IHAB CCOc1ccccc1N(CCCC(=O)NCCSc1ccccc1)S(C)(=O)=O 222609891 MAURWERNFHUJLB-UHFFFAOYSA-N 436.599 3.540 0 40 IHAB O=C(CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)N1CCOc2ccccc21 222865318 XTDLMILJISGCFP-UHFFFAOYSA-N 436.533 3.523 0 40 IHAB CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)COc1ccc(C(C)(C)C)cc1 223405220 YDWUANCBDHCPLX-JOCHJYFZSA-N 426.557 3.925 0 40 IHAB CCOC(=O)CN(c1ccc(Cl)c(C(=O)OCC)c1)S(=O)(=O)c1ccc(C)cc1 224698066 FHKOSDDPBHKZBM-UHFFFAOYSA-N 439.917 3.584 0 40 IHAB COc1ccccc1OCCNC(=O)CCCN(c1ccccc1C(C)C)S(C)(=O)=O 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C[C@@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1)c1ccc(F)cc1 22539566 AYBYXWGTJDZEMM-VGSWGCGISA-N 426.513 3.593 0 40 IHAB COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1 24184114 XLJGPXIQVBFGFM-OAHLLOKOSA-N 442.459 3.911 0 40 IHAB Cc1cc(C)c(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c(C)c1 24683089 VVZNXYGUUYATNG-UHFFFAOYSA-N 444.553 3.582 0 40 IHAB COc1ccc(S(=O)(=O)NCc2cccc(CN3CCCC3)c2)cc1Br 26843161 FMQMQOGXTOKRST-UHFFFAOYSA-N 439.375 3.532 0 40 IHAB CS(=O)(=O)N1C[C@H](C(=O)Nc2cc(Cl)c(Cl)cc2Cl)Oc2ccccc21 30945671 KITSDCGTHUQCGB-OAHLLOKOSA-N 435.716 3.813 0 40 IHAB COc1ccc(OC)c2c1CN(Cn1nc(-c3ccc(Cl)cc3)n(C)c1=S)C[C@@H]2O 31783878 DGMUMROSWRTPJG-INIZCTEOSA-N 446.960 3.795 0 40 IHAB O=S1(=O)C[C@H]2N=C(SCc3ccccc3Cl)N(c3ccc(F)cc3F)[C@@H]2C1 32640479 MMQVPQWVJQXAQN-NVXWUHKLSA-N 428.913 3.893 0 40 IHAB CC(=O)Nc1cccc(-n2cnnc2SCC(=O)N2CCC[C@@H]2c2cccs2)c1 32778431 DMUVMEHUBZKKCE-QGZVFWFLSA-N 427.555 3.743 0 40 IHAB CCOC(=O)C1=C(C)N(CCc2cccs2)C(=O)N[C@@H]1c1ccccc1C(=O)OC 32780971 OFWXPUTTZFYNPK-LJQANCHMSA-N 428.510 3.681 0 40 IHAB C[C@H](OC(=O)c1ccc2c(c1)CCC(=O)N2)C(=O)N(c1nccs1)C1CCCCC1 32882928 IPSAUBMMXVDQPH-AWEZNQCLSA-N 427.526 3.939 0 40 IHAB COc1ccc(OCC(=O)Nc2ccccc2OCc2cc(=O)n3ccc(C)cc3n2)cc1 33067983 GRSWGUGBFQPWQD-UHFFFAOYSA-N 445.475 3.608 0 40 IHAB Cc1cc(C)cc(N([C@H](C)C(=O)Nc2ccc(Br)cc2)S(C)(=O)=O)c1 33622301 MTKFLKZOGPYGTP-CQSZACIVSA-N 425.348 3.859 0 40 IHAB COc1ccc(Br)cc1CN(C)C(=O)[C@H]1CCCN(C(=O)c2ccoc2)C1 40059829 VMDFDSMDGNKBMY-AWEZNQCLSA-N 435.318 3.562 0 40 IHAB O=C(CNC(=O)Cc1cccc(F)c1)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 40145325 ZVCOHNLNGFMZCF-IKKDXCMWSA-N 428.507 3.898 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC(n4ccnc4)CC3)cc2)cc1C 58142620 ZFJBJFDBCQOVLB-UHFFFAOYSA-N 438.553 3.778 0 40 IHAB Cc1cc(S(=O)(=O)N2CCc3nc(NC(=O)C4CC4)sc3C2)c(Cl)cc1Cl 70638458 ATVUZUWAQUTGBN-UHFFFAOYSA-N 446.381 3.854 0 40 IHAB Cc1nccc(-c2sc(C3CCN(C(=O)[C@@H]4CC(=O)N(C(C)(C)C)C4)CC3)nc2C)n1 72340156 PLDQXYDLRSLBKC-QGZVFWFLSA-N 441.601 3.570 0 40 IHAB Cc1cc(C)nc(Nc2cccc([C@@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)n2)n1 72375203 ZBMMHECUCWLYHP-IBGZPJMESA-N 427.505 3.897 0 40 IHAB CC(=O)N1Cc2cc(C)ccc2OC2(CCN(CC(=O)Nc3ccccc3Cl)CC2)C1 72394447 UNDCFLKTRDLKNV-UHFFFAOYSA-N 441.959 3.863 0 40 IHAB Cn1ccnc1[C@@]1(O)CCCN(c2ncc(-c3cccs3)c(-c3nccs3)n2)CC1 72396546 PBXPPZOQQNUAIU-OAQYLSRUSA-N 438.582 3.940 0 40 IHAB COC(=O)c1nc(NC(=O)COc2coc(C)cc2=O)sc1-c1ccccc1Cl 72404841 XIXAWNHEDCKSLA-UHFFFAOYSA-N 434.857 3.529 0 40 IHAB CC(=O)c1ccc(S(=O)(=O)N[C@H]2CCC[C@H](OC(=O)Nc3ccc(F)cc3)C2)cc1 77200416 OSCNAOSLPLMLIT-OALUTQOASA-N 434.489 3.867 0 40 IHAB Cc1nc(N2CCCC2)ccc1NC(=O)[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(C)C 84028793 FAXSUEFTLRGEDQ-ANCZKMTESA-N 442.585 3.544 0 40 IHAB O=C1CC[C@H](C(=O)Nc2ccc3oc(-c4cc(F)ccc4Br)nc3c2)CN1 84459587 WFLZYKLDFZJMFU-JTQLQIEISA-N 432.249 3.861 0 40 IHAB CC[C@H](Oc1ccc(OC)cc1)C(=O)NCc1nc(-c2cccc(Br)c2)no1 95482289 JDNAZPCUFGPLGB-KRWDZBQOSA-N 446.301 3.982 0 40 IHAB CCN1CCn2c(-c3ccccc3)cnc2C12CCN(S(=O)(=O)c1ccccc1)CC2 96145002 UQMYCCKCAZOZLJ-UHFFFAOYSA-N 436.581 3.566 0 40 IHAB COC(=O)c1ccc(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2ccc(F)c(F)c2F)cc1 96445930 HKBLRDZFDQBWDZ-IBGZPJMESA-N 430.386 3.793 0 40 IHAB Cn1cc(-c2nc(C(=O)N3CCO[C@H](c4ccc(Br)cc4)C3)cs2)cn1 109045371 MTWHZBYWSAWTRD-INIZCTEOSA-N 433.331 3.520 0 40 IHAB O=C(NCCSCc1ccccc1Cl)c1ccc(N2CCCCS2(=O)=O)cc1 222579966 HUAAXCDAMUUEHB-UHFFFAOYSA-N 439.002 3.933 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)Nc1ccccc1SC 222656980 NAVBXZOUYIRZER-UHFFFAOYSA-N 434.583 3.773 0 40 IHAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccccc1OC 223083647 XHFKBKULKPJMPT-HSZRJFAPSA-N 446.547 3.850 0 40 IHAB CCOc1cccc(NS(=O)(=O)c2nnc(NC(=O)c3ccccc3Cl)s2)c1 223913025 SUMPGZCZKPPVLU-UHFFFAOYSA-N 438.918 3.643 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccccc2-c2ccccc2)cc1OC 224814243 IEASNKHXCMGYGI-UHFFFAOYSA-N 427.478 3.651 0 40 IHAB CS(=O)(=O)N(CC(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccc(F)c(Cl)c1 224867281 OJHQXCSHOBZRDV-UHFFFAOYSA-N 440.802 3.782 0 40 IHAB CC[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 224962420 GEFNWCPJEWLQLA-OAQYLSRUSA-N 433.549 3.999 0 40 IHAB Cn1c(/C=C2/SCCN2C(=O)c2cn3c4c(cccc4c2=O)CC3)nc2ccccc21 225236809 BWCUGOIUNJNYJK-FYJGNVAPSA-N 428.517 3.632 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)C2)cc1 225530741 ZTPAYIGBGWWSLW-QGZVFWFLSA-N 440.487 3.731 0 40 IHAB O=C1CN(C2CCN(Cc3ccc(Br)cc3)CC2)C(=O)N1c1ccccc1 225821860 KNLLWFRCCTYTMT-UHFFFAOYSA-N 428.330 3.882 0 40 IHAB CCOc1ccc(-c2noc(CNC(=S)Nc3cc(C(=O)OC)ccc3C)n2)cc1 225831531 YJAGBGWGGQQZEL-UHFFFAOYSA-N 426.498 3.717 0 40 IHAB CCS(=O)(=O)N(C)c1cccc(C(=O)Nc2ccc(Cc3noc(C(C)C)n3)cc2)c1 225966163 ALFIPRSBIGUVPT-UHFFFAOYSA-N 442.541 3.822 0 40 IHAB Cc1ccc([C@H](NC(=O)CN2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)c2cccs2)cc1 245225232 PXZFBPRVZMVVDZ-SMISUXHESA-N 441.641 3.836 0 40 IHAB O=C(c1cc(COc2ccc(F)cc2)on1)N1CC[C@H](O)[C@@H](Oc2ccccc2F)CC1 257288047 PSOPDIRVVKLCPA-UNMCSNQZSA-N 444.434 3.576 0 40 IHAB O=C(c1ccnc(N2CCOCC2)c1)N1CCC[C@H](c2cncc(Oc3ccccc3)n2)C1 257297641 RIFYYENLOHOVPF-FQEVSTJZSA-N 445.523 3.520 0 40 IHAB CCN(Cc1ccc(C(=O)N2CCC[C@H](C)C2)cc1)S(=O)(=O)c1ccc(OC)cc1 260561562 KDNNBDGWFDMPKN-SFHVURJKSA-N 430.570 3.778 0 40 IHAB O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1CN(Cc3ccc(Cl)cc3)C[C@@H]1C2 306129499 IFAKMTXMZBOARO-JKSUJKDBSA-N 425.895 3.627 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)N[C@H](C)c2ccccc2)C1 408555318 AHJZEWFUPPJFEN-WBVHZDCISA-N 436.961 3.627 0 40 IHAB COC(=O)c1cc(NC(=O)CCCN(c2ccc(C)cc2)S(C)(=O)=O)ccc1Cl 408677070 AFWBPFPVTMMSOP-UHFFFAOYSA-N 438.933 3.620 0 40 IHAB COc1ccccc1CNC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1Cl 408700727 KZUDXCYEFFHYPN-UHFFFAOYSA-N 436.961 3.699 0 40 IHAB CC1CCN(C(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)CC1 409005767 VMZWZEBPDARYCM-UHFFFAOYSA-N 434.989 3.832 0 40 IHAB Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)Cc1ccc2c(c1)CCO2 501154090 VMFDKMVROSKHRR-QHCPKHFHSA-N 431.536 3.626 0 40 IHAB COc1ccc(CCNC(=O)[C@@H]2CN(C)C[C@@H]2c2ccc(CNC3CCCC3)cc2)cc1 585169185 CZRLDURDFZEVIG-CLJLJLNGSA-N 435.612 3.732 0 40 IHAB CN(C(=O)c1cc(COc2ccc(F)cc2)on1)[C@@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O 585273700 QKIKOIFHDBVGJB-DNVJHFABSA-N 440.471 3.826 0 40 IHAB Cn1ccc(=NC(=O)c2cc(-c3ccccc3)nc3cc(Br)ccc23)nc1O 1586340677 MZEJHRFVHHTCKS-UHFFFAOYSA-N 435.281 3.845 0 40 IHAB CCOc1ccccc1N(CC(=O)NCc1ccco1)S(=O)(=O)c1ccc(Cl)cc1 802963 BXWFILSNQGEAIP-UHFFFAOYSA-N 448.928 3.843 0 40 IHAB O=c1c2c3c(sc2n(CCN2CCCCC2)c(=O)n1Cc1ccco1)CCCCC3 2198209 HQFMIOZYIHXOAI-UHFFFAOYSA-N 427.570 3.621 0 40 IHAB Nc1c(S(=O)(=O)c2cccc(Cl)c2)c2nc3ccccc3nc2n1C[C@H]1CCCO1 2417661 XRPVYFZMIKMOCA-CQSZACIVSA-N 442.928 3.832 0 40 IHAB C[C@@H](c1nnc(SCC(=O)Nc2cccnc2Cl)n1Cc1ccccc1)N(C)C 2663343 PNRQMNQEHNTLFI-AWEZNQCLSA-N 430.965 3.728 0 40 IHAB O=C(CN1C(=O)N[C@]2(CCc3ccccc3C2)C1=O)Nc1ccccc1Oc1ccccc1 3275371 RVPJVZKAEDEXPQ-SANMLTNESA-N 441.487 3.897 0 40 IHAB CC(C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1ccccc1 3765127 ARHSAMZKKXPMIN-HSZRJFAPSA-N 429.520 3.805 0 40 IHAB Cc1sc2nc(N3CCCCC3)nc(N3CCN(C(=O)c4ccco4)CC3)c2c1C 6527613 VYTPNWMELHFACG-UHFFFAOYSA-N 425.558 3.854 0 40 IHAB COCCn1c(SCC(=O)Nc2nccs2)nnc1-c1cc2ccccc2cc1O 6905476 WEYLEOLEEZTSMT-UHFFFAOYSA-N 441.538 3.638 0 40 IHAB COc1cccc(C(=O)COC(=O)CCC(=O)Nc2cccc(C(=O)OCC(C)C)c2)c1 9094737 IJLLTYLBWZLJNZ-UHFFFAOYSA-N 441.480 3.653 0 40 IHAB CCCCN(C(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 9113604 AZMMYLSMCZWXGL-OAQYLSRUSA-N 437.565 3.969 0 40 IHAB Cc1cccc(NC(=O)CSc2nnc(-c3cc(-c4ccc(F)cc4)n[nH]3)n2N)c1C 9187088 CYVBDODQARXHJY-UHFFFAOYSA-N 437.504 3.536 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(C)c(NS(=O)(=O)c2ccc3ccccc3c2)c1 9493917 GMVSQRFOPNOAHN-UHFFFAOYSA-N 432.567 3.980 0 40 IHAB COc1ccc(NC(=O)C2(c3ccccc3)CCC2)cc1S(=O)(=O)N1CCCCC1 9587053 JNFLTYXFZYWRLR-UHFFFAOYSA-N 428.554 3.930 0 40 IHAB Cc1cc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)c(C)n1C[C@@H]1COc2ccccc2O1 9642593 BYWMVTLCJBRULM-CQSZACIVSA-N 448.306 3.691 0 40 IHAB Cc1ccc(NC(=O)COC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1C 9704269 FRRKFBUTTBCDOB-UHFFFAOYSA-N 444.553 3.582 0 40 IHAB O=C(Nc1ccc(N2CCCCC2)cc1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 9716657 ZSFHBPQJWUUIJI-OAQYLSRUSA-N 431.533 3.608 0 40 IHAB O=C(CSc1nc2c(oc3ccccc32)c(=O)n1C[C@@H]1CCCO1)NCc1ccccc1 9750982 RWPHRNCKOQWGTH-KRWDZBQOSA-N 449.532 3.730 0 40 IHAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(OCc4ccccc4)cc3)C2=O)cc1 9981733 PKMANQGNLPOJOC-SANMLTNESA-N 443.503 3.980 0 40 IHAB O=C(CSc1nnc(NC2CCCCC2)s1)OCCCn1c(=O)[nH]c2ccccc21 9988609 SLDBBXQTFOCKKW-UHFFFAOYSA-N 447.586 3.651 0 40 IHAB CC(=O)Nc1ccc(NC(=O)COC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 10729413 QTQIUUOWHGAOSZ-NSHDSACASA-N 425.268 3.901 0 40 IHAB COC(=O)c1cc(OCC(=O)Nc2ccccc2C(=O)c2ccccc2)cc(C(=O)OC)c1 11199778 ZKVIKFNVQPKGRL-UHFFFAOYSA-N 447.443 3.508 0 40 IHAB O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccc(F)cc1)C1CCCC1 12549812 ZLSFJFUDPKFBON-UHFFFAOYSA-N 448.516 3.768 0 40 IHAB Cc1cccc(NS(=O)(=O)c2ccc(C(=O)NC[C@@H](c3ccco3)N(C)C)cc2)c1C 12584743 MGTSFNOLVJEKKG-NRFANRHFSA-N 441.553 3.730 0 40 IHAB Cc1nc(-c2ccc3c(c2)CCN3CC(=O)Nc2ccccc2S(C)(=O)=O)cs1 12587777 RARFWQZSBITAFD-UHFFFAOYSA-N 427.551 3.523 0 40 IHAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](c2ccccc2)c2ccncc2)c1 12608755 KIWRCMZTEOKRGR-FQEVSTJZSA-N 429.929 3.505 0 40 IHAB C[C@@H](c1ccccc1)N(C)C(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 12871502 JOSULUIIEXCLMW-AWEZNQCLSA-N 432.450 3.579 0 40 IHAB Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1 12898621 YMQCNCZIDWIAQV-UHFFFAOYSA-N 428.551 3.912 0 40 IHAB O=C(c1ccc(OC(F)(F)F)cc1)N1CCN(Cc2nc(-c3cccs3)no2)CC1 12971523 FTVYQYADECQWMS-UHFFFAOYSA-N 438.431 3.655 0 40 IHAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN(C)Cc2c(F)cccc2Cl)c1 13038716 UADWQIQWSOOKJE-UHFFFAOYSA-N 441.956 3.580 0 40 IHAB CCCN1CCN(c2c3c(nc4cc(-c5cc(OC)cc(OC)c5)nn24)CCCC3)CC1 13562839 ZMIDAICZJWUOGA-UHFFFAOYSA-N 435.572 3.824 0 40 IHAB COc1ccc(-c2cc3ccc(OCCN4C[C@H](C)O[C@@H](C)C4)cc3oc2=O)cc1OC 13608076 JHPNABKDGOFUMU-IRXDYDNUSA-N 439.508 3.965 0 40 IHAB biogenic CCOC(=O)C1CCN(C(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2C)CC1 13680835 BGVBONIENOASGE-UHFFFAOYSA-N 444.553 3.520 0 40 IHAB O=C(NC1CCCCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 14106673 JLWNIHZZIRUNSX-HNNXBMFYSA-N 443.407 3.689 0 40 IHAB O=C(Nc1c(C(=O)N2CCOCC2)oc2ccccc12)c1ccc(Br)cc1 14180183 AFGBBMPVJBTYTM-UHFFFAOYSA-N 429.270 3.920 0 40 IHAB COc1cc(OC)c(C2=CCN(C(=O)[C@H]3Oc4ccccc4O[C@@H]3C)CC2)c(OC)c1 14349999 MZAPHFJOJWIQMG-CMJOXMDJSA-N 425.481 3.557 0 40 IHAB CN1CCN(C(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)c2nc3ccccc3nc21 14814944 BFZKUNVNXKRRIK-UHFFFAOYSA-N 442.498 3.930 0 40 IHAB NS(=O)(=O)c1ccc(Br)c(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c1 15982657 ALVXULGRHTWIAG-UHFFFAOYSA-N 443.322 3.920 0 40 IHAB Cc1ccc(OCCNC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)cc1 18075104 UXMDVCIALFCBJI-UHFFFAOYSA-N 428.485 3.744 0 40 IHAB COc1ccc2c(c1)OC1(CCN(C[C@H](O)c3c(C)n(C)c4ccccc34)CC1)C[C@@H]2O 19581804 VGIPPHQKHBQJPV-GOTSBHOMSA-N 436.552 3.879 0 40 IHAB Cc1cc(CCCC(=O)N2CC[C@@H](c3nc(N(C)C)ncc3-c3cncnc3)C2)ccc1F 19695046 PYYIFPLAGUQVDL-LJQANCHMSA-N 448.546 3.786 0 40 IHAB CCCc1cc(C(=O)N2CCCC[C@@H]2c2nc(C)c3c(n2)N(CC2CC2)C(=O)CC3)no1 19740818 KLTXXQANTYRRHB-HXUWFJFHSA-N 437.544 3.782 0 40 IHAB CCN(CC(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930154 WEUHJFXHHNVIJO-UHFFFAOYSA-N 431.341 3.960 0 40 IHAB CN(C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O)C1CCCCC1 20047110 BUXKUJOSVRMKIE-UHFFFAOYSA-N 426.888 3.916 0 40 IHAB COc1ccc2[nH]cc(CCN3C[C@H](C(=O)Nc4ccc(F)c(Cl)c4)CC3=O)c2c1 20585128 MBLGIFRHEOKTGL-CQSZACIVSA-N 429.879 3.999 0 40 IHAB COc1ccc(-c2nn(CN(C)Cc3ccc(OC)c(OC)c3)c(=S)o2)c(OC)c1 20632941 LVTLYMDECNPZOP-UHFFFAOYSA-N 431.514 3.996 0 40 IHAB O=C(COc1ccc(Br)cc1)Nc1cccc(-c2nn3cnnc3s2)c1 21124100 PZXNWGYTQMIFCI-UHFFFAOYSA-N 430.287 3.633 0 40 IHAB Cc1cccc(NC(=O)CN2CCN(Cc3nnc(-c4ccc(Cl)cc4)o3)CC2)c1C 22933450 LEURMNHIUKHSRJ-UHFFFAOYSA-N 439.947 3.763 0 40 IHAB CCOc1ccc(NC(=O)C[C@H]2C(=O)N(Cc3ccccn3)c3nc4ccccc4n32)cc1 23382383 FBUIFZTWBLKNBH-QFIPXVFZSA-N 441.491 3.947 0 40 IHAB Cc1nn(C)c2ncc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc12 23702989 CDNKXUKRTZYMQX-UHFFFAOYSA-N 425.536 3.824 0 40 IHAB CC1CCN([C@@H](CNC(=O)CN2C(=O)COc3ccc(Cl)cc32)c2cccs2)CC1 27575442 MODCBIADEMJZPC-SFHVURJKSA-N 447.988 3.716 0 40 IHAB O=C(Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)C1CCN(C(=O)Nc2ccccc2)CC1 30506988 ASVFXVTVHXXLCH-OAQYLSRUSA-N 436.512 3.687 0 40 IHAB COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)N[C@H](C)c1ccco1 32739460 YMZJKGGTWKFYGB-OAHLLOKOSA-N 426.494 3.531 0 40 IHAB O=C(N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1)[C@@H]1CC(=O)N(C2CC2)C1 32902947 ZQFXEGDGRAVHFH-FOIQADDNSA-N 442.441 3.798 0 40 IHAB COc1ccccc1NC(=O)c1ccc(NC(=O)CSc2nnc3ccccn23)cc1 33530277 ZKSIGABZNHEVRX-UHFFFAOYSA-N 433.493 3.721 0 40 IHAB CCS(=O)(=O)c1cccc(C(=O)N(CCN(C)C)c2nc3cc(C)c(C)cc3s2)c1 36674892 RMABCRQRUKJJGH-UHFFFAOYSA-N 445.610 3.915 0 40 IHAB COc1ccc([C@H]2CC(O)=Nc3c2c(C)nn3-c2ccc3nncn3n2)cc1OC(C)C 40268231 BIGVILBUZPKQSQ-OAHLLOKOSA-N 433.472 3.538 0 40 IHAB O=C(Nc1ccc(-n2cncn2)cc1C(F)(F)F)N(Cc1cccnc1)C[C@@H]1CCCO1 58077589 YJTZIPNWAZWHMG-KRWDZBQOSA-N 446.433 3.894 0 40 IHAB O=C(NC[C@H]1Cc2ccccc2O1)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 58079629 HCZCTZIOXMNNBQ-GOSISDBHSA-N 426.469 3.784 0 40 IHAB COc1cc2c(cc1CN1CCC[C@H](c3cc(-c4cnn(C)c4)cc(C)n3)C1)OCCO2 72353763 RXBGUWNBGKHJDY-SFHVURJKSA-N 434.540 3.950 0 40 IHAB COc1ccc2[nH]c(=O)c(CNc3ccc(N4CCN(c5ccccn5)CC4)cc3)cc2c1 72396130 SYUGHAXWAAFLDN-UHFFFAOYSA-N 441.535 3.870 0 40 IHAB CCN1C(=S)N[C@H]2c3cccc(OC)c3O[C@@]1(C)[C@@H]2C(=O)Nc1ccc(C)cc1C 100031767 JOLMJGXXZSPWFC-YDHSSHFGSA-N 425.554 3.927 0 40 IHAB CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)CN3CCCC3=O)CC2)n1 100739095 MIWPYLRBPZAESE-PUZFROQSSA-N 435.572 3.674 0 40 IHAB CC(=O)C1=NN(c2cccc(Cl)c2C)[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]12 101406777 YBRGBAURKIDORR-MJGOQNOKSA-N 430.291 3.933 0 40 IHAB COC(=O)c1ccc(C(=O)N2CCC(N3CCC(Oc4ccccc4F)CC3)CC2)cc1 217371935 GDBQEQDGYOVQDI-UHFFFAOYSA-N 440.515 3.760 0 40 IHAB CC[C@H](C(=O)NCCCc1ccc(OC)cc1)N(c1cc(C)ccc1C)S(C)(=O)=O 220548608 NNNXXVLXMMNVDW-OAQYLSRUSA-N 432.586 3.606 0 40 IHAB C[C@@H](C(=O)NCc1cccnc1)N(Cc1ccccc1)C(=O)COc1ccccc1Cl 222726470 XQNBISAMOUNBOE-SFHVURJKSA-N 437.927 3.848 0 40 IHAB CC[C@@H](C(=O)N[C@@H](C)c1cc(OC)ccc1OC)N(c1cc(C)ccc1C)S(C)(=O)=O 222766464 VLDGRAUKYTYKOM-PXNSSMCTSA-N 448.585 3.743 0 40 IHAB C[C@@H]1CCCN(S(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)C1 223171214 XAKLUQFYSPUGTG-SECBINFHSA-N 435.358 3.518 0 40 IHAB CCCn1c(=O)sc2cc(S(=O)(=O)NCCOc3ccc4ccccc4c3)ccc21 223646773 DMEIBECOCDFSAD-UHFFFAOYSA-N 442.562 3.984 0 40 IHAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCCCN3CCC[C@@H](C)C3)c2)cc1 224149124 UYPUVSUPAQEAMK-HXUWFJFHSA-N 443.613 3.672 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)cc1N1CCCC1=O 224879429 SLIMIFIDACYAQZ-UHFFFAOYSA-N 430.404 3.521 0 40 IHAB O=S(=O)(Cc1ccc(C(F)(F)F)cc1)NC[C@](O)(c1ccsc1)c1ccco1 253472790 PJTLHNLBTJDPJC-KRWDZBQOSA-N 431.457 3.715 0 40 IHAB CC(=O)O[C@H]1C[C@@]2(C)[C@H](C(C)=O)CC[C@@H]2[C@H]2CC[C@H]3CC4(CC(=O)[C@]3(C)[C@H]12)OCCO4 253501295 RUQBPCMPFRJFIH-YZZBAJPVSA-N 432.557 3.698 0 40 IHAB CNC(=O)c1cc([C@H]2CC[C@H](CNS(=O)(=O)c3ccccc3)CC2)nc2ccccc12 257245961 IRWGGLOVIWIYLG-IYARVYRRSA-N 437.565 3.847 0 40 IHAB O=C(Cn1ncc2ccccc2c1=O)N1CCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257260010 LAZHBHYTULRLSA-NRFANRHFSA-N 448.910 3.992 0 40 IHAB COC(=O)c1ccc(NC(=O)CN2c3ccc(C)cc3-c3ccccc3S2(=O)=O)cc1 408622125 AXIGDSKAFPKYLM-UHFFFAOYSA-N 436.489 3.596 0 40 IHAB CCCCN1C(=O)S/C(=C\c2cc(I)c(O)c(OC)c2)C1=O 409051130 ALBRQQCMKKESMP-WQLSENKSSA-N 433.267 3.842 0 40 IHAB COc1cc(/C=C2\NC(=O)N(Cc3ccc(C)cc3)C2=O)cc(Br)c1OC 409243220 QQTDFUVYVOGGJS-SXGWCWSVSA-N 431.286 3.868 0 40 IHAB CN(C)c1cccc(C(=O)N2CCOCCOc3ccccc3Oc3ncccc3C2)c1 643573483 GFFJVVOYQCSAON-UHFFFAOYSA-N 433.508 3.991 0 40 IHAB CC(=O)N1CCC(CC(=O)Nc2ccc(Cl)cc2)(N2Cc3ccccc3C2=O)CC1 1565524164 CVXWYFHAYQUNQF-UHFFFAOYSA-N 425.916 3.706 0 40 IHAB Cc1cc(C)n(-c2ccc(=O)n(C3CCN(C(=O)Nc4ccccc4Cl)CC3)n2)n1 1775969856 OUKCKHLDFZGFQI-UHFFFAOYSA-N 426.908 3.568 0 40 IHAB COc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4cccc(C)c4OC)cc3n2)cc1 724745 UKCRXVAOPKOFQT-UHFFFAOYSA-N 447.520 3.873 0 40 IHAB CCn1c(COc2ccccc2C)nnc1SCC(=O)Nc1ccccc1C(=O)OC 915971 LJCUJPKQABRBNT-UHFFFAOYSA-N 440.525 3.703 0 40 IHAB Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2)c1C 1284929 NSOUOARVMNBMRT-UHFFFAOYSA-N 440.275 3.700 0 40 IHAB CC(C)CCNc1nc2ccccc2nc1NS(=O)(=O)c1cccc2nsnc12 1294437 RKXVSPPXCOYQSI-UHFFFAOYSA-N 428.543 3.893 0 40 IHAB O=C(NC1CCCC1)[C@H](c1ccc(F)cc1)N(Cc1ccco1)C(=O)c1csnn1 1378465 RKPUNZPBQBPLAK-IBGZPJMESA-N 428.489 3.713 0 40 IHAB COc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2C[C@H]2CCCO2)cc1OC 2402274 CKNGXGZNVBBRSW-OPAMFIHVSA-N 435.476 3.843 0 40 IHAB CCOc1ccc(-c2nnc(SCC(=O)Nc3ccc(N(CC)CC)cc3)n2N)cc1 2422159 AKCYEBXHJRGFTR-UHFFFAOYSA-N 440.573 3.635 0 40 IHAB O=C(CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1)NCc1ccco1 2622638 CAIFSZGBDZOLOM-UHFFFAOYSA-N 434.477 3.665 0 40 IHAB O=C(CSc1nc2ccccc2c(=O)n1Cc1ccco1)NCCCc1ccccc1 3372609 XQIFXKYWCCOGGD-UHFFFAOYSA-N 433.533 3.879 0 40 IHAB CSCC[C@H](C(=O)N(C)Cc1ccc(OC(F)F)cc1)N1C(=O)c2ccccc2C1=O 3424716 MBMFBTAVECHNGF-GOSISDBHSA-N 448.491 3.664 0 40 IHAB CC(C)CCNC(=O)CSc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2 3580345 CHGLELUSZCZBFW-UHFFFAOYSA-N 439.585 3.515 0 40 IHAB Cn1cnnc1SCC(=O)Nc1ccc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1 8186083 FWDQATLUPVKPCY-KVSKMBFKSA-N 427.574 3.635 0 40 IHAB CS(=O)(=O)N1N=C(c2ccccc2)C[C@@H]1c1cc2cc3c(cc2nc1Cl)OCO3 8663676 DCTSZMDMUNMBEL-QGZVFWFLSA-N 429.885 3.728 0 40 IHAB COc1ccc([C@H]2c3cc(OC)c(OC)cc3CC(=O)N2NC(=O)c2ccccc2)cc1 8958955 BJMVJFPJQACIOG-DEOSSOPVSA-N 432.476 3.532 0 40 IHAB CCCN1C(=O)C(C)(C)COc2ccc(NS(=O)(=O)CCc3ccc(OC)cc3)cc21 9172370 FHJULLWNBZJAIM-UHFFFAOYSA-N 446.569 3.841 0 40 IHAB Cc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3N2[C@@H](C)C(=O)NC2CCCC2)c(C)c1 9254328 RYBNBHFZBHMLIX-FDDCHVKYSA-N 448.567 3.907 0 40 IHAB CCOc1ccc(NC(=O)CSc2nnnn2-c2ccc(C)cc2C)cc1OCC 9284880 GZNHSLMXPUXASG-UHFFFAOYSA-N 427.530 3.807 0 40 IHAB CCOc1ccc(NC(=O)CCn2ccc3ccccc32)cc1S(=O)(=O)N1CCCC1 9367730 VZPZKTPCNNBFRK-UHFFFAOYSA-N 441.553 3.853 0 40 IHAB COc1ccc2c(c1)O[C@@]1(C)C[C@@H]2[C@H](S(=O)(=O)c2ccc(C(C)(C)C)cc2)C(=O)N1 9407635 PGXHVZQBJKTZML-LEDOBFOHSA-N 429.538 3.547 0 40 IHAB COc1ccc2c(c1)[C@@H]1C[C@](C)(O2)N(C)C(=O)[C@H]1S(=O)(=O)c1ccc(C(C)(C)C)cc1 9407643 OIZIOMXXIWTNIG-PTLVVNQVSA-N 443.565 3.890 0 40 IHAB COc1ccc(-c2coc3cc(OCC(=O)NCc4cccnc4)ccc3c2=O)cc1OC 9423360 FYSYTEFPXTVAAA-UHFFFAOYSA-N 446.459 3.567 0 40 IHAB biogenic O=C(C1=NN(c2ccccc2)C(=O)CC1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 9441839 NRXANEUCBYHNIS-QGZVFWFLSA-N 434.521 3.991 0 40 IHAB COc1ccc(Cl)cc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 9525866 AEGUCJPXYFENFN-LBPRGKRZSA-N 437.279 3.537 0 40 IHAB COc1cc(OC)cc(C(=O)Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)c1 9588680 YONSYGYALBJRLL-UHFFFAOYSA-N 448.541 3.529 0 40 IHAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)Cn2c(=O)cnc3ccccc32)cc1 9592492 AZPODBKOVNYSBG-XMMPIXPASA-N 438.487 3.783 0 40 IHAB CNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCCCC3 9632495 BAWZWHIGIBQWLT-UHFFFAOYSA-N 429.567 3.563 0 40 IHAB COc1ccccc1NC(=O)CSc1nc2ncccc2c(=O)n1Cc1ccc(C)cc1 9830305 JLCRJLMHLRHSHK-UHFFFAOYSA-N 446.532 3.888 0 40 IHAB Cc1cccc2sc(N(CCN(C)C)C(=O)CCCS(=O)(=O)c3ccccc3)nc12 10218190 HIFGOIGFSAUSSD-UHFFFAOYSA-N 445.610 3.753 0 40 IHAB CC1CCN(CCCNC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)CC1 10540724 CRYQQXUEJOAOEF-UHFFFAOYSA-N 443.613 3.505 0 40 IHAB COc1ccc(CCC2CCN(C(=O)Cn3cnc4sc(C)c(C)c4c3=O)CC2)cc1 10906907 BYCSGKGTEKVFDV-UHFFFAOYSA-N 439.581 3.955 0 40 IHAB O=C(CCn1cnc2ccc(Br)cc2c1=O)Nc1ccc(N2CCCC2)cc1 12511978 OUVCHEBWRKMQOR-UHFFFAOYSA-N 441.329 3.788 0 40 IHAB C[C@@H](Sc1nnc(Cc2cccs2)n1-c1ccccc1)C(=O)NC[C@@H]1CCCO1 12512397 KKKCJSIQZGOHHW-WBVHZDCISA-N 428.583 3.695 0 40 IHAB Cc1ccc(Cn2ccs/c2=N\C(=O)CSc2nnc3[nH]c4ccccc4n23)cc1 12543892 ZIDMZKNIIWRASL-ATJXCDBQSA-N 434.550 3.650 0 40 IHAB Cc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)c1C 12605368 LDTGRZYOXOIBPP-UHFFFAOYSA-N 436.493 3.526 0 40 IHAB CCOC(=O)C1=C(CSc2ncnc3ccccc23)NC(=O)N[C@@H]1c1cccs1 12636195 JJXPZSRYNJHOBG-QGZVFWFLSA-N 426.523 3.655 0 40 IHAB O=C1N(c2ccc(Cl)cc2)[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(C(F)(F)F)c1 12636202 VWYILPZCEBAWJO-HZPDHXFCSA-N 430.835 3.971 0 40 IHAB C[C@@H](OC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1Cl)C(N)=O 12757789 KJQRBLILRSPUEB-CQSZACIVSA-N 434.883 3.831 0 40 IHAB O=C(/C=C/c1ccccc1Br)Nc1cccc(S(=O)(=O)N2CCCC2)c1 12796387 TYQGPHRSGDIPCH-ZHACJKMWSA-N 435.343 3.886 0 40 IHAB COc1ccc(OCCN2CCN(C(=O)CCc3ncc(-c4ccccc4)o3)CC2)cc1 12884618 NDTRVNSECRWUGA-UHFFFAOYSA-N 435.524 3.506 0 40 IHAB Cc1nc(SCC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)c2c(C)c(C)sc2n1 12903204 ZIILIEMUSJKHSK-UHFFFAOYSA-N 447.607 3.914 0 40 IHAB CC(C)c1cc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)c2cnn(C(C)C)c2n1 13296432 OOLIIBCLYLFOTD-UHFFFAOYSA-N 441.557 3.928 0 40 IHAB COc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2ccccn2)[C@@H](c2ccc(F)cc2)CN1C 13627499 BSHKNDBQZWNVTK-WSUBETFTSA-N 431.467 3.605 0 40 IHAB CCn1c(CC(=O)Nc2cccc(C)c2)nnc1SCC(=O)Nc1c(F)cccc1F 13956593 ORDPXEVOXACXGI-UHFFFAOYSA-N 445.495 3.797 0 40 IHAB CC(=O)c1sc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)nc1-c1ccccc1 14129299 FPZKUKXWMUOAGJ-UHFFFAOYSA-N 429.523 3.515 0 40 IHAB O=C(C[C@@H]1C(=O)N[C@H]2CCCC[C@H]2N1C(=O)c1cccs1)Nc1cccc(Cl)c1 14730293 KKQXCZFVLVJHQI-GVDBMIGSSA-N 431.945 3.682 0 40 IHAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cc(Cl)ccc3Cl)o2)cc1 15391390 RLBISXBSSNSYAX-UHFFFAOYSA-N 441.296 3.546 0 40 IHAB Cc1cc(F)ccc1S(=O)(=O)NCCc1csc2nc(-c3cccc(F)c3)nn12 15784007 PTIWEBYHRZJQCS-UHFFFAOYSA-N 434.493 3.565 0 40 IHAB O=C(N[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(c1ccccc1)c1ccccc1 15881868 ZYGGLDGEWOJPAZ-FQEVSTJZSA-N 428.488 3.511 0 40 IHAB Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1Cl 16249258 GZBDRUOIHWKYGY-UHFFFAOYSA-N 437.732 3.929 0 40 IHAB COc1ccc(O)c(NC(=S)NC(=O)c2cc(Br)cc(C)c2OC)c1 17094282 NAJMSMAUYWRFND-UHFFFAOYSA-N 425.304 3.607 0 40 IHAB Cc1ccc([C@H](NC(=O)Cn2c(S(C)(=O)=O)nc3ccccc32)c2cccs2)cc1 18380941 GAYKUYWHTYYAKK-NRFANRHFSA-N 439.562 3.716 0 40 IHAB O=C(c1cccs1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(Cc1ccccc1F)CC2 19349309 APOISSZREWPGDU-LJQANCHMSA-N 438.528 3.506 0 40 IHAB O=C1CCCN1CC(=O)N1CCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1 19373228 ZAOUCYHYCIRIHW-OAQYLSRUSA-N 442.523 3.568 0 40 IHAB CCCN1CCN(C(=O)c2c(C)noc2C)C[C@@H](Cc2cccc(-c3ccncc3)c2)C1=O 19503121 IUKFWBMOEFANIL-HSZRJFAPSA-N 446.551 3.907 0 40 IHAB COc1cccc(-c2cccc(C[C@@H]3CN(C(=O)Cc4ccc(F)cc4)CCNC3=O)c2)c1 19566667 DTDYUUFDAABHAN-HSZRJFAPSA-N 446.522 3.861 0 40 IHAB Cc1noc(C)c1CCC(=O)N1CCNC(=O)[C@@H](Cc2ccc(-c3ccccc3)cc2)C1 19580733 KMEDOZNGWDTUIR-QHCPKHFHSA-N 431.536 3.708 0 40 IHAB COc1ccc(CN2CCN(C)C(=O)[C@@H](Cc3ccccc3-c3ccncc3)C2)cc1OC 19589679 BAYRVAQJCCQQAP-QHCPKHFHSA-N 445.563 3.899 0 40 IHAB CNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCN(C(=O)CCc2ccccc2)C1 19591444 WTEIBZFPMCDSKG-HHHXNRCGSA-N 427.548 3.889 0 40 IHAB Cc1c(C(=O)N2CCC(c3nc(N(C)C)ncc3-c3cccc(Cl)c3)CC2)cnn1C 19695146 XNGWYGMEEMTTOZ-UHFFFAOYSA-N 438.963 3.925 0 40 IHAB CCN(C(=O)Cc1ccc(N(C)C)cc1)[C@@H]1CCO[C@H](c2ccc(C(=O)N(C)C)cc2)C1 19712712 PVNRNKFDHRUCAR-RPWUZVMVSA-N 437.584 3.766 0 40 IHAB COc1c(Br)cc(Br)cc1C(=O)Nc1ccc(C(=O)O)c(O)c1 20141295 RZHONHLABGGIDQ-UHFFFAOYSA-N 445.063 3.876 0 40 IHAB COc1cc2oc(=O)cc(C)c2cc1CCC(=O)N1CCN(C/C=C/c2ccccc2)CC1 20713700 UENSLQDVDCZTII-RMKNXTFCSA-N 446.547 3.900 0 40 IHAB COC(=O)c1ccc2c(=O)nc(CN3CCc4sccc4[C@H]3c3cccs3)[nH]c2c1 21584881 YZWMJAWBECNVOH-FQEVSTJZSA-N 437.546 3.980 0 40 IHAB COc1cccc(-c2nc(COC(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)cs2)c1OC 21716443 GZPFTVNRZPSJOU-CQSZACIVSA-N 430.526 3.662 0 40 IHAB CCOc1cccc(CNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1 22430033 YAJGZECVKIJEIU-UHFFFAOYSA-N 438.549 3.905 0 40 IHAB CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc(C3CCN(CCN4CCOCC4)CC3)cc2N1 22915837 ZLXAYHDKDSHBAN-RBUKOAKNSA-N 443.558 3.728 0 40 IHAB O=C(CCCn1c(=O)oc2ccccc21)OCc1cc2c(cc1Br)OCCO2 24164471 KWCOUBDQMGOFJY-UHFFFAOYSA-N 448.269 3.652 0 40 IHAB Cc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1NC(=O)c1ccco1 24300531 GISNQKHPHLRVIW-UHFFFAOYSA-N 445.519 3.733 0 40 IHAB Cc1ccc(C(=O)C2CCN(C(=O)c3ccc(C)c(NS(C)(=O)=O)c3)CC2)c(C)c1 24456928 JIVJKICADPGLQY-UHFFFAOYSA-N 428.554 3.718 0 40 IHAB Cc1nc(SC(F)F)nc(O)c1CCC(=O)NC1CCN(Cc2ccccc2)CC1 25527794 OQCVHDDPWCVNFL-UHFFFAOYSA-N 436.528 3.519 0 40 IHAB COc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CCCCC3)cc1Cl 32125249 HHDHFDJRQUXSIF-UHFFFAOYSA-N 437.974 3.905 0 40 IHAB COc1ccc([C@@H]2[C@H](C(=O)N=c3[nH]c4ccccc4[nH]3)c3ccccc3C(=O)N2C)cc1 36366577 XENPMCDZVARYLL-FGZHOGPDSA-N 426.476 3.543 0 40 IHAB CN(c1ccc2sc(C(=O)NC[C@H]3CCCO3)cc2c1)S(=O)(=O)c1ccccc1 46058492 ODRGOFSNMMOUFQ-QGZVFWFLSA-N 430.551 3.635 0 40 IHAB COc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)N4CCCC4)cc3c2)cc1 46059010 QUOUZVHPLCISEY-UHFFFAOYSA-N 430.551 3.971 0 40 IHAB CCC(=O)Nc1ccc2c(c1)c(=O)n(-c1ccccc1)n2CC(=O)Nc1ccc(F)cc1 49400985 WNDMFLLWLYIJQA-UHFFFAOYSA-N 432.455 3.919 0 40 IHAB COCCC(=O)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(OC(C)C)cc2)C1 57774132 HZIKANNGKYALMR-OFVILXPXSA-N 425.573 3.975 0 40 IHAB Cc1ncc(C(=O)Nc2cccc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c2)s1 58050502 LMRZBZRDIQYAMI-UHFFFAOYSA-N 447.520 3.754 0 40 IHAB CC[C@H](C)n1c(SCC(=O)N[C@@H](C)c2cccc(OC)c2)nc2cc(C)[nH]c2c1=O 67299596 IZDZPOOUBVNHTC-GJZGRUSLSA-N 428.558 3.982 0 40 IHAB Cc1nc(-c2ccc(Cl)cc2)n(CC(=O)N(C)c2cccc(Cl)c2)c(=O)c1CCO 67300698 HHGXHQJSRKJFEI-UHFFFAOYSA-N 446.334 3.723 0 40 IHAB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 72296884 FKLAVGFDIJYNJZ-ZCNNSNEGSA-N 447.576 3.747 0 40 IHAB C[C@@H](OC(=O)Cc1csc(N2CCCC2=O)n1)[C@H]1CCCCN1C(=O)OC(C)(C)C 72310725 XYCDZPRKWDKFGV-GDBMZVCRSA-N 437.562 3.534 0 40 IHAB COCCN1CC=CC[C@H](C2CCN(C(=O)c3cc(C4CCCCC4)no3)CC2)C1=O 72371077 UFLPXSKBOSVCPA-HXUWFJFHSA-N 429.561 3.626 0 40 IHAB O=C(Nc1cc2c(cc1Br)OCCO2)C(=O)N[C@@H]1CCSc2ccccc21 84579000 GNUPXYDHYNIPBF-CYBMUJFWSA-N 449.326 3.512 0 40 IHAB C[C@H]1CC[C@H]2N(C1)C[C@H]1[C@H]3C[C@@H]4[C@H](CC(=O)[C@H]5C[C@@H](O)CC[C@@]54C)[C@@H]3CC[C@H]1[C@]2(C)O 85885413 IQDIERHFZVCNRZ-UHGBGSFLSA-N 429.645 3.886 0 40 IHAB COC(=O)C[C@H](c1ccc(OC)c(O)c1)c1c(O)n[nH]c1Cc1cc(F)c(F)cc1F 96231226 HWNIEKIWLBUOQM-GFCCVEGCSA-N 436.386 3.533 0 40 IHAB COc1cc(CN2C[C@H]3CCC[C@H](C2)C3(O)c2nccn2C)ccc1OC1CCCC1 100150099 GXDDUQLLUBJEHR-WOJBJXKFSA-N 425.573 3.870 0 40 IHAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl 219284296 ZLUYDCWYIMYULB-QGZVFWFLSA-N 438.933 3.752 0 40 IHAB C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 220251185 XGDLFHUZSIDDRQ-NSHDSACASA-N 445.324 3.558 0 40 IHAB CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1cccc(C)c1C 223080860 CNXYAMFCPOPJBZ-KRWDZBQOSA-N 447.373 3.998 0 40 IHAB O=C(CCc1ccc2c(c1)OCCO2)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 224567212 VRKINJOFDZSWLG-UHFFFAOYSA-N 438.505 3.830 0 40 IHAB COc1ccc(Cl)cc1N(CCCC(=O)NC[C@@H](C)c1ccccc1)S(C)(=O)=O 224760226 UTJADPPJQFWSHQ-MRXNPFEDSA-N 438.977 3.815 0 40 IHAB CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(OC)c(OC)c1 224770135 PXDMEAIUNZGYIR-LJQANCHMSA-N 426.557 3.888 0 40 IHAB CC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N(C)C(=O)c2ccccc2Cl)CC1 257216078 CSZNURXRSMRXND-CQOQZXRMSA-N 428.960 3.790 0 40 IHAB Cc1c(C(=O)N2CCNC(=O)[C@@H]2Cc2cccc(-c3ccncc3)c2)[nH]c2ccc(F)cc12 257293948 QRVBPKKPGMJKJD-QHCPKHFHSA-N 442.494 3.861 0 40 IHAB CC(C)NC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 408616490 ZGVIFRNFGNMGQD-AWEZNQCLSA-N 444.329 3.579 0 40 IHAB COc1cc(OC)cc(-c2nc(SCC(=O)Nc3ccc(Br)cc3)n[nH]2)c1 408637239 IBVJGEFTLXPRQH-UHFFFAOYSA-N 449.330 3.982 0 40 IHAB O=C(c1csc(-c2ccc(Cl)c(Cl)c2)n1)N1CCC[C@H](N2CCNC2=O)C1 520121136 YEBOCLCSZAURQB-LBPRGKRZSA-N 425.341 3.747 0 40 IHAB Cc1ccc(C(=O)N2CCC[C@H](C(=O)NCc3ccc4c(c3)nc(C3CC3)n4C)C2)cc1 559278130 VJNDBKYRQVBVGR-NRFANRHFSA-N 430.552 3.928 0 40 IHAB Cc1ncsc1C(=O)N1CCC[C@]2(CCCCc3ccccc3OCCN(C)C2=O)C1 643561354 GXANTNKFOGUZPI-XMMPIXPASA-N 441.597 3.938 0 40 IHAB CC(C)C(=O)N1CCCCCCCNCc2cc(C(=O)N3[C@H]4CC[C@H]3CC(O)C4)ccc21 643583887 NCQDTHIMMAVWNQ-VXKWHMMOSA-N 441.616 3.857 0 40 IHAB C[C@@]12C[C@H]3[C@@H](Cc4ccccc4)N[C@@H]1CCCC[C@@H]2N3C(=O)CNC(=O)c1ccccc1 2037818029 AIGNPEPXIRJJGT-KLWMKENUSA-N 431.580 3.549 0 40 IHAB CCOC(=O)CN1C(=O)S/C(=C\c2ccc(OC)c(OCc3ccccc3)c2)C1=O 1149651 PUJCMJCEVHFCPZ-UNOMPAQXSA-N 427.478 3.874 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)COc3cccc(F)c3)cc2)cc1 3307017 GXMUBZISKFGUFS-UHFFFAOYSA-N 430.457 3.653 0 40 IHAB CCCn1c(=O)c2ccccc2n2c(SCC(=O)NCc3ccccc3Cl)nnc12 3375704 PPDXYJLZSRIVKC-UHFFFAOYSA-N 441.944 3.516 0 40 IHAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)COC(=O)c1cc(Cl)ccc1N 3451211 AYBDRBFYXVZFTD-UHFFFAOYSA-N 446.809 3.762 0 40 IHAB COc1cc2c(cc1NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1)oc1ccccc12 3578875 CDWCYDQRXIGQFV-UHFFFAOYSA-N 442.468 3.993 0 40 IHAB O=c1/c(=C/c2ccc(-c3ccc(Br)cc3)o2)sc2nc(-c3ccco3)nn12 3649376 KDYJLCLPEJQRIB-YBEGLDIGSA-N 440.278 3.981 0 40 IHAB CC1CCN(C(=O)Cn2c(SCC(=O)N3CCCCCC3)nc3ccccc32)CC1 4859191 LCAMCJYLIBQGFB-UHFFFAOYSA-N 428.602 3.790 0 40 IHAB O=c1/c(=C\c2ccncc2)sc2n1[C@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 8417869 ATXHTPXZIHDDQC-FGGAIWKESA-N 427.554 3.775 0 40 IHAB COC[C@@H](O)CNC(=O)CCc1c(C)c2cc3c(-c4ccccc4)coc3cc2oc1=O 8764545 PBVHFWYRARGSKG-KRWDZBQOSA-N 435.476 3.571 0 40 IHAB biogenic O=C(CSc1nnnn1-c1ccc(O)cc1)N[C@H](Cc1ccccc1)c1ccccc1 8772351 FNILJXJHCBPAAD-OAQYLSRUSA-N 431.521 3.560 0 40 IHAB COc1ccc(CCNC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)nc2)cc1 8826194 ZFWVDONKBMOUHJ-UHFFFAOYSA-N 445.928 3.517 0 40 IHAB COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccc2oc(=O)ccc2c1 8831507 AQBAXJFMTOVUHZ-UHFFFAOYSA-N 447.310 3.999 0 40 IHAB Cc1ccc(-n2nnnc2S[C@@H]2CCCCN(C(=O)c3ccc(Cl)cc3)C2=O)cc1 8899801 QAQGSMWDPBSVLB-GOSISDBHSA-N 441.944 3.938 0 40 IHAB Cc1ccnc(NC(=O)CCC(=O)N(CC(=O)NC2CCCCC2)c2ccc(F)cc2)c1 8995297 XZIQJJSVQCXIHL-UHFFFAOYSA-N 440.519 3.730 0 40 IHAB Cc1cc(C(=O)CN2C(=O)N[C@]3(CCCc4sccc43)C2=O)c(C)n1Cc1ccco1 9129349 QMOMYSQRRPKUHC-QHCPKHFHSA-N 437.521 3.774 0 40 IHAB CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccc(C(=O)O)o3)cc2)C1=O 9259852 FHXLESDVSIJHLC-RQZCQDPDSA-N 445.449 3.545 0 40 IHAB C[C@@H](Sc1nnc(-c2ccccc2F)n1C)C(=O)Nc1ccc(N2CCOCC2)cc1 9285521 YVZOVIYXBQDRIU-OAHLLOKOSA-N 441.532 3.577 0 40 IHAB O=C(COCc1nc2ccccc2s1)Nc1ccc2nc(N3CCOCC3)sc2c1 9459909 QYZRYPMTDGKPHA-UHFFFAOYSA-N 440.550 3.898 0 40 IHAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 9539972 JZDXBOLFKZTUGS-SIAWBNQPSA-N 430.548 3.900 0 40 IHAB O=C([C@H]1CN(C(=O)c2cccc(Oc3ccccc3)c2)c2ccccc2O1)N1CCOCC1 9579870 BIAKCQFHIXZZDD-XMMPIXPASA-N 444.487 3.746 0 40 IHAB COc1cccc(CN(C)C(=O)/C=C/c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 9798818 VZMSZPYAJYTVSN-NTCAYCPXSA-N 442.581 3.932 0 40 IHAB COc1ccc(Cl)cc1NC(=O)CSc1ccc(S(=O)(=O)N2CCCC2)cc1 10010133 LEZORHHYJWYMRV-UHFFFAOYSA-N 440.974 3.864 0 40 IHAB Cc1ccc(N2CCCn3c2nc2c3c(=O)n(C/C=C/c3ccccc3)c(=O)n2C)c(C)c1 10104967 HGNFHOFLOYABFZ-YRNVUSSQSA-N 441.535 3.769 0 40 IHAB COC[C@@H](C)NC(=O)c1ccc(CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 10357725 VAYKVMHJBKVCSW-CYBMUJFWSA-N 445.368 3.724 0 40 IHAB O=C(COC(=O)Cc1n[nH]c(=O)c2ccccc12)Nc1ccccc1Sc1ccccc1 10914597 ATISHYJXUMXULD-UHFFFAOYSA-N 445.500 3.799 0 40 IHAB COC(=O)C[C@H](NC(=O)c1cc2c(C)nn(C)c2s1)c1ccc(Br)cc1 11670516 LMOWRBYRDWVQLF-AWEZNQCLSA-N 436.331 3.740 0 40 IHAB CCOC(=O)[C@@]1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCCN(C(=O)c2ccco2)C1 12156741 QQIVZZFJNHHPPN-FDDCHVKYSA-N 428.460 3.788 0 40 IHAB CNC(=O)CSc1nc(-c2ccccc2)c(NC(=O)c2ccccc2OC(C)=O)s1 12442950 FIUIGUBPOWJYDT-UHFFFAOYSA-N 441.534 3.826 0 40 IHAB COc1ccc(Nc2nnc(S[C@@H](C)C(=O)Nc3sccc3C(N)=O)s2)cc1 12522128 SVZMZNBQUHQHFC-VIFPVBQESA-N 435.556 3.570 0 40 IHAB C[C@H](OC(=O)c1cccc(N2CCCS2(=O)=O)c1)C(=O)C12CC3CC(CC(C3)C1)C2 12890352 SPFNRLFFWAOSKG-SCUMNGBJSA-N 431.554 3.557 0 40 IHAB COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)CCc2ccc(Cl)cc2Cl)cc1 12910978 OCEHQWMPHIEARG-ZDUSSCGKSA-N 445.368 3.878 0 40 IHAB COc1ccc(CCN(C)C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1OC 12929019 PBFXZPWQZTYZBJ-UHFFFAOYSA-N 425.529 3.649 0 40 IHAB CC(C)(C)C(=O)N1CCC(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)CC1 12991385 KLTGTXOLGKTURH-UHFFFAOYSA-N 429.542 3.805 0 40 IHAB O=C(CN1CC=C(c2ccccc2)CC1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 13039969 RPDVGEPOUJQSOV-UHFFFAOYSA-N 439.581 3.589 0 40 IHAB COc1ccc(N(C(=O)C23CC4CC(CC(C4)C2)C3)[C@@H]2C=CS(=O)(=O)C2)c(OC)c1 13097536 UVXIULCXRQVPPE-QCYTXABWSA-N 431.554 3.564 0 40 IHAB O=C(COc1ccc(C(=O)NCCc2ccc(F)cc2)cc1)NCCc1ccc(F)cc1 13148198 XNLVBTPZFPBGCH-UHFFFAOYSA-N 438.474 3.675 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C)c2)c2ccccc2)cc1 13632612 AOQIQMDOGYLCKV-UHFFFAOYSA-N 438.549 3.905 0 40 IHAB COc1ccc(OC)c(CN(CCCN2CCOCC2)C(=S)Nc2ccc(C)cc2)c1 13722079 JBVNMLHABQIEEX-UHFFFAOYSA-N 443.613 3.934 0 40 IHAB CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cccnc4)[C@H]3C2=O)cc1 13751693 CGDNNSCPXPIDBQ-VJBWXMMDSA-N 429.476 3.922 0 40 IHAB O=C(CN1CCN(C(=O)c2cccc(Cl)c2)CC1)Nc1ccc(OC(F)(F)F)cc1 14245343 VBZTWRFKJRTSIB-UHFFFAOYSA-N 441.837 3.635 0 40 IHAB Cc1cc(N2CCN(CC(=O)Nc3ccc(N4CCCCC4)cc3)CC2)nc(C(C)C)n1 15032349 VQYQDDZWOKZLGI-UHFFFAOYSA-N 436.604 3.659 0 40 IHAB COc1ccccc1N1CCN(C2CCN(C3CCN(Cc4ccccc4)CC3)CC2)CC1 15890217 FPPJIQBONJLQSA-UHFFFAOYSA-N 448.655 3.946 0 40 IHAB CC(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2nc(N(C)C)ncc2-c2ccncc2)cc1 19022335 GCNRFQVWNCICPX-OAQYLSRUSA-N 430.512 3.540 0 40 IHAB O=C(NCc1cccs1)c1cc(C2CCN(C(=O)c3cccc(F)c3F)CC2)no1 19292666 DVXZZXJMBOBOAM-UHFFFAOYSA-N 431.464 3.964 0 40 IHAB COc1ccc(Cn2nnnc2[C@H](c2ccc(C)cc2)N2CCN(C3CCCC3)CC2)cc1 19367035 YBVAHNMGJMBORJ-VWLOTQADSA-N 446.599 3.688 0 40 IHAB CC(C)N1CCc2nc3cc(C4CCN(C(=O)CC5CCCCC5)CC4)nn3c(O)c2C1 19448135 RYZYPVZGRFFUSV-UHFFFAOYSA-N 439.604 3.878 0 40 IHAB CCCN1CCN(C(=O)c2nccn2C)C[C@H](Cc2ccccc2-c2ccc(C)cc2)C1=O 19503165 FLJQAHDEQHVASD-QHCPKHFHSA-N 444.579 3.949 0 40 IHAB CCN1CCN(C(=O)CCn2cccn2)C[C@H](Cc2ccc(-c3cccs3)cc2)C1=O 19527417 LNYIZFXXLTXOLL-NRFANRHFSA-N 436.581 3.551 0 40 IHAB CNc1cc([C@@H]2CCCN(C(=O)c3cccc(OC)c3OC)C2)nc(-c2cccnc2)n1 19592185 ZCWCUXUSTRKARI-QGZVFWFLSA-N 433.512 3.617 0 40 IHAB Cc1cc(C(=O)N2CCO[C@H](c3ccc(-c4cccc(Cl)c4)cn3)C2)nc(N(C)C)n1 19693523 SWSFYQGLAJPVAZ-NRFANRHFSA-N 437.931 3.780 0 40 IHAB Cc1nc([C@@H]2CCCCN2C(=O)c2ccccn2)nc2c1CC(=O)N2CCc1ccccc1 19740279 YYXQTCWJAMMXKZ-QFIPXVFZSA-N 441.535 3.679 0 40 IHAB Cc1nc([C@@H]2CCCN(C(=O)c3cc4cc(F)ccc4n3C)C2)ncc1C(=O)N1CCCC1 19763006 KYNIFHPXXZEULF-QGZVFWFLSA-N 449.530 3.672 0 40 IHAB Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)N[C@H]1CCCc2ccccc21 20022048 MTTYWVLAKXPQLU-QFIPXVFZSA-N 442.581 3.742 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@H](CC(C)C)c1ccccc1 20461859 RBXKMPWALHKVFV-JOCHJYFZSA-N 430.570 3.533 0 40 IHAB Cc1[nH]c2ccc(C(=O)O[C@@H](C)C(=O)Nc3sc4c(c3C(N)=O)CCC4)cc2c1C 21605000 SXZFDIABCPZFJU-LBPRGKRZSA-N 425.510 3.618 0 40 IHAB Cc1ccc(-c2csc3ncn(CCC(=O)Nc4ccc5[nH]c(=O)[nH]c5c4)c(=O)c23)cc1 22018460 BDWFYLYDNSFSKS-UHFFFAOYSA-N 445.504 3.632 0 40 IHAB C[C@H](OC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3)C(=O)N1c2ccccc2C[C@H]1C 24843601 XLFVGRDFTNSGKF-SJORKVTESA-N 445.519 3.646 0 40 IHAB Cc1cccn2cc(COc3ccc(C(=O)Nc4nc5c(s4)CN(C)CC5)cc3)nc12 27989011 NCFMCGNGJWLGNP-UHFFFAOYSA-N 433.537 3.918 0 40 IHAB Cc1ccc(Cc2cnc(NC(=O)c3ccccc3OCC(=O)N(C)C)s2)cc1F 29879172 CBPMVKOBUJOCAE-UHFFFAOYSA-N 427.501 3.901 0 40 IHAB COc1ccc(NC(=O)[C@H](OC(=O)[C@@H]2CCCN(C(C)=O)C2)c2ccccc2)cc1Cl 29895834 VEAYJGHPBUJHFO-DYESRHJHSA-N 444.915 3.830 0 40 IHAB CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)CN1C(=O)COc2ccccc21 32809540 VSOAQPDUORVKHG-UHFFFAOYSA-N 440.477 3.857 0 40 IHAB CS(=O)(=O)N1CCCc2cc(C(=O)N(Cc3c(F)cccc3Cl)C3CC3)ccc21 32880022 HUNFPICTHXOPRQ-UHFFFAOYSA-N 436.936 3.996 0 40 IHAB O=C(Nc1nc2ccccc2s1)c1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)o1 35597502 WFKHHWCIDIEPPO-UHFFFAOYSA-N 443.462 3.671 0 40 IHAB CCc1cccc2c(/C=C3/C(=O)N(CC)C(=S)N3C)cn(CC(=O)NC3CCCC3)c12 39556492 HKUPBFGXXNVART-MOSHPQCFSA-N 438.597 3.682 0 40 IHAB O=C(NCc1ccc(CN2CCc3ccccc32)cc1)[C@@H]1CCCN1C(=O)c1ccco1 40090687 AXIHRGSNGNNPOF-QHCPKHFHSA-N 429.520 3.763 0 40 IHAB COc1cc(OC)cc(C(=O)N2CCC(C(=O)N3CCC[C@@H]3c3ccsc3)CC2)c1 40110517 XXLBMYXAYPMRJA-OAQYLSRUSA-N 428.554 3.981 0 40 IHAB COc1ccc([C@@H]2CC(O)=Nc3c2c(C)nn3-c2ccc3nncn3n2)cc1OC(C)C 40268232 BIGVILBUZPKQSQ-HNNXBMFYSA-N 433.472 3.538 0 40 IHAB Cc1cc(C)c(C)c(OCC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c1 44901336 MPSOQCBYINSPQZ-UHFFFAOYSA-N 440.525 3.529 0 40 IHAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 46668429 JLGBQKPUBGORKS-UHFFFAOYSA-N 428.851 3.631 0 40 IHAB Cc1ccc(CCC2CCN(C(=O)[C@@H]3Cc4ccccc4CN3S(C)(=O)=O)CC2)cc1 58151125 HLKSTKQFACEWLU-DEOSSOPVSA-N 440.609 3.553 0 40 IHAB CCOc1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2Cc2ccco2)cc1 67236197 GDHIHTOHODNWKW-UHFFFAOYSA-N 438.509 3.804 0 40 IHAB O=C(Cn1ccc2cc(Br)ccc21)N1CCC(c2nnc3ccccn23)CC1 71284597 KVDJXJLPXHGTQH-UHFFFAOYSA-N 438.329 3.853 0 40 IHAB O=C(C1CCCCC1)N1CCC[C@@H](c2nc(N3CCOCC3)ncc2-c2ccncc2)C1 72348024 VPPVKWVPRDVQCO-OAQYLSRUSA-N 435.572 3.662 0 40 IHAB COc1ccc(CC(=O)N2CCN(C)C(=O)[C@@H]2Cc2ccccc2-c2ccncc2)cc1C 72351331 MXROVCZJUXXNSG-DEOSSOPVSA-N 443.547 3.520 0 40 IHAB CCCN1C[C@H](C(=O)N2CCc3nc(-c4cccc(C(F)(F)F)c4)sc3C2)CC1=O 72392052 LKDCCISRAZWINC-CQSZACIVSA-N 437.487 3.972 0 40 IHAB CCOc1ncccc1C(=O)Nc1ccc(-c2n[nH]c(CNC(=O)OC(C)(C)C)n2)cc1 78878779 ULYRNVYTFKZUQX-UHFFFAOYSA-N 438.488 3.542 0 40 IHAB O=C(O)CCC(=O)N1N=C(c2cccc(Br)c2)C[C@H]1c1nc2ccccc2[nH]1 79112267 CSWLZPCAKGQZNV-KRWDZBQOSA-N 441.285 3.868 0 40 IHAB O=C(CCNC(=O)N1CCO[C@H](c2ccccc2)C1)Nc1ccc(Br)cc1 84525593 DQMMXHPBBAJRGJ-SFHVURJKSA-N 432.318 3.561 0 40 IHAB CCc1ccc([C@H]2CCCCN2S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)o1 95402899 NWCMKTQICADCNT-MRXNPFEDSA-N 431.963 3.815 0 40 IHAB CCc1[nH]c(=O)c(C(=O)NC[C@H]2CC[C@H](c3nn(C)cc3-c3ccncc3)CC2)cc1C 100744844 PFBDEGKVQPDZKK-IZAXUBKRSA-N 433.556 3.745 0 40 IHAB COc1ccc2[nH]cc(/C=C(\NC(=O)c3ccccc3)C(=O)N(C)C3CCN(C)CC3)c2c1 215699746 JOIHOPNQIWFBBN-IWIPYMOSSA-N 446.551 3.500 0 40 IHAB CC(C)Oc1cccc(N(CC(=O)Nc2cccc(Br)c2)S(C)(=O)=O)c1 220100519 PYQDTZUZSVINJQ-UHFFFAOYSA-N 441.347 3.641 0 40 IHAB CCOc1ccccc1CNC(=O)[C@@H](CC)N(c1cc(Cl)ccc1C)S(C)(=O)=O 220722369 PJSYVAJCHQTNPV-GOSISDBHSA-N 438.977 3.908 0 40 IHAB Cc1ccc([C@H](NS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)c2ccccc2)cc1 222835361 AFPIHEUHWUMBMK-QGZVFWFLSA-N 444.582 3.899 0 40 IHAB CC(=O)N1CCCc2cc(S(=O)(=O)NCCOc3ccccc3C(C)(C)C)ccc21 223733956 JIJXIGOJRITEDA-UHFFFAOYSA-N 430.570 3.641 0 40 IHAB CCCc1ccc(OCCNC(=O)CCCN(c2ccc(CC)cc2)S(C)(=O)=O)cc1 224748150 ZCYQTPVPRDIXCA-UHFFFAOYSA-N 446.613 3.943 0 40 IHAB COc1cccc(CN(C(=O)CCc2ccc(OC)c(OC)c2)[C@@H](C)C(=O)NC(C)C)c1 225662898 LDOZTWQQFRQZNP-SFHVURJKSA-N 442.556 3.587 0 40 IHAB COc1ccccc1N1CCN(C(=O)CCc2nc(-c3ccccc3Cl)no2)CC1 225811520 GAGHUSCTWZDTBH-UHFFFAOYSA-N 426.904 3.680 0 40 IHAB Cc1ccc(N(CC(=O)NCc2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1Cl 225872068 MXUUCXDUTZXPHA-UHFFFAOYSA-N 434.867 3.750 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)NC2CCCCC2)c1 225940190 ZZKFXMOBCUJEKN-UHFFFAOYSA-N 428.598 3.986 0 40 IHAB CCN(CC(=O)Nc1c(C)n[nH]c1C)[C@H]1CCOC2(CCN(Cc3ccccc3)CC2)C1 257234607 GUIHMCZCRRALQT-QFIPXVFZSA-N 439.604 3.501 0 40 IHAB CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)c1ncccc1O)[C@H]2Cc1ccccc1 257242183 IBKOXNLMJNGMDH-XSLDXSAWSA-N 433.552 3.793 0 40 IHAB CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1ccnc(C)n1 257251153 JPQCVJUGRHYJKF-CAIUVPPLSA-N 432.568 3.790 0 40 IHAB C[C@@H](C(=O)N[C@H](C)CC(C)(C)c1ccccc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 260836987 CHACIVDHDZZZDF-CVEARBPZSA-N 438.540 3.992 0 40 IHAB O=C(CSc1nc2ccccc2s1)N1CC[C@H](c2ccccc2)S(=O)(=O)CC1 390831410 RRVHTHPXWSRUBJ-GOSISDBHSA-N 432.592 3.777 0 40 IHAB O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1Cl)NCc1ccccc1 408586792 BWEGTGOVMBZHCW-UHFFFAOYSA-N 430.913 3.836 0 40 IHAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc(SC)c2)cc1Cl 408612088 YHRUJZPQEPHMSW-LBPRGKRZSA-N 428.963 3.766 0 40 IHAB Cc1cc(OC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)ccc1N1C(=O)CCC1=O 408672639 VRQSQTMIUMNRHG-HNNXBMFYSA-N 440.883 3.569 0 40 IHAB CCN1CCN(C(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccc(Cl)cc3)cc2)CC1 408703390 FQWQBUAWUMXPPM-HSZRJFAPSA-N 444.000 3.892 0 40 IHAB Cn1nc(CC(=O)Nc2nc3c(s2)C[C@H](c2ccccc2)CC3)c2ccccc2c1=O 520644725 GHHCNWVZAOGKJA-MRXNPFEDSA-N 430.533 3.844 0 40 IHAB CC(=O)NCCCC(=O)N1CC2(CCOCC2)c2cc(-c3ccc(NC(C)=O)cc3)ccc21 585105793 NGJXKSYUGOCVOX-UHFFFAOYSA-N 449.551 3.623 0 40 IHAB O=C(NC[C@@H]1CC[C@@H]2CN(C(=O)c3cccnc3)c3ccccc3CN12)c1cccs1 585110154 PWJFRGLYNLJZFP-VQTJNVASSA-N 432.549 3.567 0 40 IHAB O=C(NC[C@@H](O)COc1ccccc1)N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 612604529 UYBSXSOWZVUOJT-OFNKIYASSA-N 448.498 3.656 0 40 IHAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)NC[C@H](C)c3ccncc3)cc2)C1 674191157 WMKJVLHZZLNPHH-KSZLIROESA-N 430.574 3.673 0 40 IHAB O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 678993394 IKQNFXNDIBZNQX-MRXNPFEDSA-N 439.364 3.695 0 40 IHAB CC(C)(C)OC(=O)NCc1ccc(CNC(=O)N[C@H]2COc3c(F)cc(F)cc3C2)cc1 1682209118 HFMOMPYMIZABFT-GOSISDBHSA-N 447.482 3.792 0 40 IHAB CCOc1ccc(OCC)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3C)CC2)c1 936503 NKHKUHZXFKZLPV-UHFFFAOYSA-N 438.977 3.957 0 40 IHAB CCC[C@H](NC(=O)COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C)C(=O)O 2108192 OFKJONSDTLMQJR-FQEVSTJZSA-N 437.492 3.749 0 40 IHAB biogenic CCOc1ccccc1NC(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2Cl)C1=O 3595148 YXTHGYMFCOUBLI-HXUWFJFHSA-N 436.295 3.798 0 40 IHAB COc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1S(=O)(=O)N1CCCC1 3608331 KILQFHWPOHFODO-UHFFFAOYSA-N 444.431 3.631 0 40 IHAB COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OC(=O)NCCN(C)C 5809697 SNRLIWICKYZWNS-FPLPWBNLSA-N 430.501 3.541 0 40 IHAB Cc1ccc(C(=O)COC(=O)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)c(C)c1 7888795 XTCBQBZTTRUQFO-UHFFFAOYSA-N 428.529 3.556 0 40 IHAB CCC(C)(C)NC(=O)[C@@H](c1ccc(C)cc1)N(Cc1cccnc1)C(=O)c1csnn1 8677181 BYZFITDISXRFAJ-HXUWFJFHSA-N 437.569 3.930 0 40 IHAB Cc1ccc(C)c(-n2c(S[C@H](C)C(=O)NC(N)=O)nnc2-c2ccccc2Cl)c1 8720476 GMKNQCKYVHVTNG-CYBMUJFWSA-N 429.933 3.880 0 40 IHAB COc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCN(C)C)cc1OC 8768332 LBMHNXGVVAIYRL-FQEVSTJZSA-N 442.899 3.570 0 40 IHAB COc1ccccc1C(=O)Nc1ccc2c(c1)nc(CCNC(=O)c1ccccc1)n2C 9124083 AHZKLLCOCOJCAQ-UHFFFAOYSA-N 428.492 3.807 0 40 IHAB O=C(c1cn(Cc2ccccc2)nc1-c1cccnc1)N1CCN(c2ccccc2O)CC1 9209220 PNSLPDJTICBTCL-UHFFFAOYSA-N 439.519 3.661 0 40 IHAB Cc1cccc(N2CCN(C(=O)CSc3nnc(-c4cccnc4)n3C3CC3)CC2)c1C 9220947 MGODYCBXQAQBDV-UHFFFAOYSA-N 448.596 3.733 0 40 IHAB COc1ccc(C(=O)[C@H]2C(c3ccc(F)cc3)=NO[C@]23C(=O)Nc2ccccc23)c(OC)c1 9409615 OKKABGCCBXLQPA-BWKNWUBXSA-N 446.434 3.924 0 40 IHAB COc1ccc2[nH]cc(CCNC(=O)COc3ccc4c5c(c(=O)oc4c3)CCCC5)c2c1 9410166 XOBBEWUXZWVGJH-UHFFFAOYSA-N 446.503 3.899 0 40 IHAB C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccc(COc3ccccc3)cc2)C1=O 9502195 DOXPWFSJNDHGKP-AREMUKBSSA-N 443.503 3.854 0 40 IHAB Cc1ccc(-n2ncc3c(SCC(=O)Nc4ccc5c(c4)OCO5)ncnc32)c(C)c1 9517746 RRUWUNDGIOALLE-UHFFFAOYSA-N 433.493 3.892 0 40 IHAB CCn1nc(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)c2ccccc2c1=O 9663948 CBMIUONCGPFGCO-UHFFFAOYSA-N 428.496 3.654 0 40 IHAB COc1ccc([C@@H]2CCCCCN2C(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)cc1 9712501 AMQJEEQVYUKHEY-NRFANRHFSA-N 434.533 3.599 0 40 IHAB Cc1ccc([C@@]2(c3ccccc3)NC(=O)N(CC(=O)c3ccc4c(c3)OCO4)C2=O)cc1C 9865493 FFTJETUPBFDADB-AREMUKBSSA-N 442.471 3.710 0 40 IHAB Nc1nnc(SCC(=O)Nc2cccc(NC(=O)C3C4CC5CC(C4)CC3C5)c2)s1 10059979 ZTAOQDYFRLDDHO-UHFFFAOYSA-N 443.598 3.862 0 40 IHAB O=C(c1cc(-c2ccc3c(c2)OCCO3)on1)N1CCN(c2cccc(Cl)c2)CC1 10232776 GMRWUCAWPHRAKG-UHFFFAOYSA-N 425.872 3.729 0 40 IHAB COc1cccc([C@H]2c3c(-c4ccc(Cl)cc4Cl)nnc(O)c3Nc3nnnn32)c1 10298126 RKXUMWOPPJJBER-KRWDZBQOSA-N 442.266 3.846 0 40 IHAB C[C@@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccc(S(C)(=O)=O)cc1 10966554 GXPULYZRLLLZPE-LLVKDONJSA-N 446.750 3.762 0 40 IHAB Cc1ccc([C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C2CC2)cc1 11234648 ZYAPVHLCKYCYFF-QFIPXVFZSA-N 430.545 3.802 0 40 IHAB O=C(Nc1cc(C2CC2)nn1-c1nc(-c2ccccc2)cc(=O)[nH]1)c1cc(C2CC2)on1 12129136 AEFOEKKTRQCNPT-UHFFFAOYSA-N 428.452 3.618 0 40 IHAB CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCc4cc(C)ccc43)CC2)cc1 12786396 QXYBAUKJQPUDKY-UHFFFAOYSA-N 440.565 3.578 0 40 IHAB O=C(NC1CCCC1)[C@@H](c1ccccn1)N(Cc1ccccc1F)C(=O)c1csnn1 12871869 DMPQNZNLIIXFOG-HXUWFJFHSA-N 439.516 3.515 0 40 IHAB O=C(CCS(=O)(=O)c1ccc(Cl)cc1)NCC1(N2CCCCC2)CCCCC1 12909358 RNFURGTVWHKHQS-UHFFFAOYSA-N 427.010 3.809 0 40 IHAB COc1ccc(C(=O)N(C)Cc2ccc(C(C)(C)C)cc2)cc1S(=O)(=O)NC1CC1 12984824 GMEYXASDEXQBAJ-UHFFFAOYSA-N 430.570 3.706 0 40 IHAB CCOc1ccc([C@@H]2c3c(C)nn(C)c3NC(=O)[C@H]2NC(=O)c2ccc(Cl)cc2)cc1 13070485 YKPOOODWVNYRIV-UXHICEINSA-N 438.915 3.663 0 40 IHAB Cc1ccccc1NC(=O)CN1CCC(NC(=O)c2ccccc2Br)CC1 13562881 NNMGRGCGXXURAR-UHFFFAOYSA-N 430.346 3.590 0 40 IHAB Cc1ccc(N2C(=O)C[C@H](Sc3ccc(NC(=O)CCC(=O)O)cc3)C2=O)cc1C 13578831 OQUCRYBCYKXOKZ-SFHVURJKSA-N 426.494 3.531 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)N(C)c2ccccc2)c2ccc(F)cc2)cc1 13671600 LDYJRJPZZIUCDD-UHFFFAOYSA-N 428.485 3.693 0 40 IHAB COc1ccc(N2C[C@H](c3nnc(NC(=O)c4ccccc4Cl)s3)CC2=O)cc1 13944253 SWICCIIEHPSMDC-GFCCVEGCSA-N 428.901 3.973 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3ccc(Cl)cc3)CC2)cc1 14388124 XIZRBMKGIWOOKQ-OAHLLOKOSA-N 436.961 3.627 0 40 IHAB Cc1ccccc1Cn1cc(NC(=O)COCc2cc(-c3ccc4c(c3)OCO4)on2)cn1 15679168 MSOCBKFULQNGFC-UHFFFAOYSA-N 446.463 3.779 0 40 IHAB Cc1cc(C)c2c(=O)cc(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)oc2c1 15831200 SFDKPCMCGXSAEQ-UHFFFAOYSA-N 428.491 3.675 0 40 IHAB Cc1ccccc1N1C(=O)c2ccc(C(=O)NCc3ccc(CN(C)C)cc3)cc2C1=O 16102482 FPAMTTIXCHDTFG-UHFFFAOYSA-N 427.504 3.787 0 40 IHAB Cc1ccc(S(=O)(=O)c2c(C)cc(C)n(CC(=O)Nc3cc(C)ccc3C)c2=O)cc1 17051072 LVRVVIVDRIQIJY-UHFFFAOYSA-N 438.549 3.862 0 40 IHAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2ccc(NC(=O)CCC(=O)O)cc2)cc1 17096496 XXTVHOWNCLXSHM-CYBMUJFWSA-N 429.498 3.568 0 40 IHAB CC(C)(C)CC(=O)N1CCO[C@](Cc2cccc(-c3ccncc3)c2)(C(=O)NC2CC2)C1 19082692 NORZPZUDOHSBQQ-SANMLTNESA-N 435.568 3.604 0 40 IHAB CC(C)N1CCc2c(O)nc([C@H]3CCCN3C(=O)c3cc4cc(F)ccc4n3C)nc2C1 19448407 HPXDFKPDHYCNLK-HXUWFJFHSA-N 437.519 3.557 0 40 IHAB CCN1c2ncccc2C(=O)NC12CCN(Cc1cccn1Cc1ccccc1F)CC2 19528319 OGLJDYNOQWUSHM-UHFFFAOYSA-N 433.531 3.633 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)C[C@@H](NC(N)=O)c1ccc(Cl)cc1 19617835 OZUCWZPKJDOKAA-OAQYLSRUSA-N 439.947 3.901 0 40 IHAB CN1CCO[C@H](c2c(C(=O)N3CCN(C4CCCCC4)C(=O)C3)sc3ccccc23)C1 19696698 OVIMNXHIBRPSGU-IBGZPJMESA-N 441.597 3.522 0 40 IHAB CN(C)C(=O)c1sc2ncccc2c1[C@H]1CN(Cc2c[nH]nc2-c2ccccc2)CCO1 19703199 CNEUJQKPRVATJC-LJQANCHMSA-N 447.564 3.962 0 40 IHAB COc1ccc(C(=O)N2CCC[C@H](c3ccc(C(=O)Nc4ccc(F)cc4)cn3)C2)cn1 19705912 OXCJKNDFKLMHLD-SFHVURJKSA-N 434.471 3.896 0 40 IHAB Cc1nc([C@H]2CCCN(C(=O)CCCn3ccnc3C)C2)nc2c1CCCN2CC1CC1 19706932 YZNRLCPOKAERKD-NRFANRHFSA-N 436.604 3.639 0 40 IHAB Cc1nc([C@@H]2CCCN2C(=O)Cc2ccccn2)nc2c1CCC(=O)N2CC1CCCCC1 19740360 HSTOOZWGVRCATB-QFIPXVFZSA-N 447.583 3.946 0 40 IHAB COc1ccc(CC(=O)N2CCCC[C@H]2c2nc(C)c3c(n2)N(C2CC2)C(=O)CC3)cc1C 19741160 OGPFGBPTSOVOHB-NRFANRHFSA-N 448.567 3.840 0 40 IHAB COc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(Cl)cc3)N3CCOCC3)no2)cc1 19796734 ZORRFQXUKDRSPE-OAQYLSRUSA-N 441.915 3.807 0 40 IHAB O=S(=O)(Nc1cccnc1)c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1 20107215 IUWIECWVPNUDBU-UHFFFAOYSA-N 439.518 3.836 0 40 IHAB O=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 20152639 LZFQTFPRKMUWIY-GFCCVEGCSA-N 434.461 3.686 0 40 IHAB CCn1cc([C@H]2NC(=O)Nc3c2c(=O)[nH]c2c3sc3nc(C(F)(F)F)cc(C)c32)cn1 20607325 MKLPWBCJMHDFSG-GFCCVEGCSA-N 448.430 3.906 0 40 IHAB CCCCN1C(=O)[C@H](C(=O)OCC)[C@H](c2ccc(OC)c(O)c2)n2c1nc1ccccc12 20675917 DYSGZBWSUQPSFT-RTWAWAEBSA-N 437.496 3.666 0 40 IHAB Cc1ccc2[nH]cc(CCN3C[C@@H](C(=O)Nc4nnc(CC(C)(C)C)s4)CC3=O)c2c1 21785359 NLPZPRZGAHPSHZ-INIZCTEOSA-N 439.585 3.946 0 40 IHAB CCCCc1nnc(NC(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccc(C)cc34)C2)s1 21785375 ALNOBRMQGOWECO-MRXNPFEDSA-N 425.558 3.700 0 40 IHAB CC(=O)Nc1ccc(C)c(S(=O)(=O)NCc2ccc(COCC(F)(F)F)cc2)c1 21871448 PVWPKKHWQWQHNJ-UHFFFAOYSA-N 430.448 3.511 0 40 IHAB COc1cc(CNCCc2ccccc2)ccc1OCc1nnnn1-c1ccc(C)cc1 22108194 KVGUDUPJNHXQFT-UHFFFAOYSA-N 429.524 3.891 0 40 IHAB COc1ccc(-c2noc(CNC(=O)[C@H]3CCCN(c4ccc(C)cc4)C3)n2)cc1OC 22256216 GMNFIBBOKPFFMH-SFHVURJKSA-N 436.512 3.595 0 40 IHAB O=C(CN1CCN(CCOc2ccccc2)CC1)Nc1ccccc1C(=O)c1ccccc1 22788805 UHSZBECLBWKVMM-UHFFFAOYSA-N 443.547 3.553 0 40 IHAB Cc1csc2nc(CSCC(=O)N3CCC(Cc4ccccc4)CC3)cc(=O)n12 23415286 SNPACUCZCFZVBD-UHFFFAOYSA-N 427.595 3.779 0 40 IHAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1CCN(Cc2cn3ccccc3n2)CC1 24979064 PHQKZTCSALIHEC-UHFFFAOYSA-N 439.585 3.647 0 40 IHAB Cn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)N[C@@H](Cc1ccccc1)c1ccccc1 25284800 JRPZUMJEXNAKPA-QFIPXVFZSA-N 437.565 3.523 0 40 IHAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)CCc1nc(-c2cccs2)no1)CC3 25453880 FUGITMVELYRMIW-UHFFFAOYSA-N 436.493 3.584 0 40 IHAB CC(=O)Oc1cc2ccccc2cc1-c1nc2s/c(=C\c3ccc(C)cc3)c(=O)n2n1 26966068 VEGSRDDDQKZGQT-NHDPSOOVSA-N 427.485 3.753 0 40 IHAB O=C(CCc1ccc2c(c1)OCO2)Nc1ccnn1Cc1ccccc1Br 32848096 ZMGRHNJPWLROPW-UHFFFAOYSA-N 428.286 3.994 0 40 IHAB O=C(CCSc1ccc(S(=O)(=O)N2CCCCCC2)cn1)Nc1cccc(F)c1 32871189 HNHWBFYPCQJREO-UHFFFAOYSA-N 437.562 3.906 0 40 IHAB COC(=O)[C@@H](c1ccccc1Cl)N1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1 32882080 KHDPSGLTLADHHV-HSZRJFAPSA-N 439.943 3.812 0 40 IHAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 34856055 JZDXBOLFKZTUGS-RVGXWUKOSA-N 430.548 3.900 0 40 IHAB C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)c1nc2ccccc2[nH]1 40069090 POAGRRRQUFESCJ-STQMWFEESA-N 427.302 3.556 0 40 IHAB CCOc1cc(/C=C/C(=O)/N=c2/[nH]nc(-c3ccccc3OC)[nH]2)ccc1OC(F)F 48373852 BGDDXBKQYRLNCV-PKNBQFBNSA-N 430.411 3.554 0 40 IHAB Cc1ccc(CNC(=O)Cn2c(=O)n(Cc3ccc(C)c(C)c3)c(=O)c3sccc32)cc1 57426978 YPUDVOLTLKOCLQ-UHFFFAOYSA-N 447.560 3.515 0 40 IHAB C[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccc2c(c1)OCCO2 69428884 AWFFUULJTVXOQF-INIZCTEOSA-N 438.505 3.750 0 40 IHAB Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)NCCC(=O)NC(C)C)c12 69951132 OCFWSPOKTIMDBD-UHFFFAOYSA-N 434.418 3.862 0 40 IHAB Cc1c(C(=O)NC2CCCCCC2)nnn1-c1cccc2c1CCN(C1CCOCC1)C2 71890386 BYROGKUOZWWMNL-UHFFFAOYSA-N 437.588 3.565 0 40 IHAB CCN1CCN(C(=O)Cc2cccc(OC)c2)[C@@H](Cc2cccc(-c3ccncc3)c2)C1=O 72351688 XSHFBNOHMBMREX-VWLOTQADSA-N 443.547 3.602 0 40 IHAB Cc1cccc(-c2cccc(C[C@]3(C(=O)N(C)C)CCCN(C(=O)c4ncc[nH]4)C3)c2)c1 72391522 CHBKSYJCCFADCW-AREMUKBSSA-N 430.552 3.938 0 40 IHAB Cc1nnc(-c2ccc(C(=O)N3CCC(C(=O)NCc4ccc(C)c(F)c4)CC3)cc2)o1 78903059 WCXLYEOJUFIAMK-UHFFFAOYSA-N 436.487 3.661 0 40 IHAB O=C(CN1CCN(Cc2nc3ccccc3s2)CC1)N(Cc1ccccc1F)C1CC1 95939042 VNGZOSIHKOWZAE-UHFFFAOYSA-N 438.572 3.744 0 40 IHAB COC(=O)c1ccc2c(O)nc(CN(Cc3ccc4c(c3)OCO4)C3CCCC3)nc2c1 96128257 SACYFFVKYNZPDP-UHFFFAOYSA-N 435.480 3.796 0 40 IHAB COc1ncc(C2(O)[C@H]3CCC[C@H]2CN(Cc2cccc(Cl)c2Cl)C3)c(OC)n1 100149506 GMETXHIJXZSWPZ-GJZGRUSLSA-N 438.355 3.920 0 40 IHAB CCOCCn1/c(=N/C(=O)c2ccc(S(C)(=O)=O)cc2)sc2c(C)cc(C)cc21 101042118 KTIDMKDUMLVRRJ-DQRAZIAOSA-N 432.567 3.501 0 40 IHAB CCn1c(SCC(=O)Nc2cccc(F)c2)nnc1[C@@H](C)NC(=O)c1ccccc1 108893983 VUSVVOBIRIFWMI-CQSZACIVSA-N 427.505 3.659 0 40 IHAB CCN1c2cc(OC)c(OC)cc2C(C)=C(C(=O)N[C@@H](C)c2ccc(F)cc2)S1(=O)=O 219196734 NWGGSRJSMPPHJN-AWEZNQCLSA-N 448.516 3.621 0 40 IHAB COc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1Cl 219749490 GJRIZJMOKOYMMO-MRXNPFEDSA-N 429.325 3.794 0 40 IHAB C[C@@H](C(=O)NCc1ccc(Cl)cc1Cl)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220446524 NKWZSDJEOLHIRL-JTQLQIEISA-N 437.295 3.743 0 40 IHAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1OC 222499655 FVRPWMCKGCWZAM-WIYYLYMNSA-N 442.556 3.805 0 40 IHAB O=C(NCCSCc1ccc(Cl)cc1)c1ccc(N2CCCCS2(=O)=O)cc1 222580156 YQGNFDCCUUQICJ-UHFFFAOYSA-N 439.002 3.933 0 40 IHAB CC(C)Oc1ccc(NC(=O)CCCN(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 222679798 WXOHYWWEXGUPSJ-UHFFFAOYSA-N 426.485 3.937 0 40 IHAB CSc1ccc(S(=O)(=O)NCCSCc2ccco2)cc1NC(=O)C(C)C 223411530 YHDXKFBPWGCBTR-UHFFFAOYSA-N 428.601 3.808 0 40 IHAB CC(C)c1ccccc1OCCNC(=O)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 223798902 FYSALYYEFVVFCN-UHFFFAOYSA-N 444.597 3.935 0 40 IHAB Cc1cc(C)cc(OCCNC(=O)CCCN(c2cc(C)cc(C)c2)S(C)(=O)=O)c1 224103517 SPQGSFDYMFDBIL-UHFFFAOYSA-N 432.586 3.662 0 40 IHAB CC[C@H](C(=O)NCCSC1CCCC1)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 224469013 YKKJXVRJSMVZNU-QGZVFWFLSA-N 449.038 3.685 0 40 IHAB CCc1ccc(N(CC(=O)Nc2nnc(SC)s2)S(=O)(=O)c2ccccc2)cc1 225446868 UDZKJBFLAQSQLF-UHFFFAOYSA-N 448.595 3.656 0 40 IHAB Cc1ccc(NC(=O)CN2CCC(N3CC(=O)N(c4ccccc4)C3=O)CC2)cc1Cl 225821814 AAOFJLBYCHEYJA-UHFFFAOYSA-N 440.931 3.520 0 40 IHAB Cc1nc2cc([C@@H]3CCN(Cc4cccs4)C3)nn2c(C)c1CCC(=O)NC(C)C 257321650 WCOSJFOPLMPTGP-GOSISDBHSA-N 425.602 3.854 0 40 IHAB CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)N(C)c2ccccc2)C1 260736966 JMXASKFJIHAUQV-INIZCTEOSA-N 436.961 3.802 0 40 IHAB CC(C)n1cnc([C@H]2CN(Cc3ccsc3)C[C@@]23CCN(Cc2cccnc2)C3=O)c1 306140796 VEJQGDQBXYEMSN-QPPBQGQZSA-N 435.597 3.939 0 40 IHAB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1C 408645824 MFUQWBGMRQNCHJ-UHFFFAOYSA-N 443.443 3.668 0 40 IHAB Cc1cccc(CC(=O)N2CCC(Cc3ccccc3-c3cccnc3)(C(N)=O)CC2)c1 585166190 RZAKFAUGZQOMEB-UHFFFAOYSA-N 427.548 3.936 0 40 IHAB Cc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CCC2(C)C)cc1N1CCOCC1 1535467053 WMGKWQHGNWBMII-UHFFFAOYSA-N 431.577 3.693 0 40 IHAB CC(=O)N1CCC[C@]1(Cc1ccccc1-c1ccccc1)C(=O)NCCn1ccc(C)n1 2037834616 VFODECVTLKWMRS-SANMLTNESA-N 430.552 3.599 0 40 IHAB O=C(CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)Nc1ccc(Cl)cc1 905662 ZRLLLVHMCUMEEW-MRXNPFEDSA-N 429.929 3.960 0 40 IHAB COc1cc(Cl)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c1O 1145271 IHNJYQUXYBMDKQ-VIZOYTHASA-N 436.848 3.868 0 40 IHAB c1ccc(CN2CCN([C@@H](c3cccs3)c3nnnn3Cc3ccccc3)CC2)cc1 1337540 AOPUDLOVBCLWLP-QHCPKHFHSA-N 430.581 3.690 0 40 IHAB COc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)c(OC)c1 1368121 ZBYHKQXDSCZSIM-LLVKDONJSA-N 445.566 3.857 0 40 IHAB COc1ccc(NC(=O)CN2CCC(n3nnc4cc(C(F)(F)F)ccc43)CC2)cc1 1380597 RXXKMLPIUNUVRP-UHFFFAOYSA-N 433.434 3.734 0 40 IHAB CCOc1ccc(NC(=O)CN(C)CC(=O)N[C@H]2CCCc3ccccc32)cc1OCC 2657545 VNNFNQYJVBIDAE-NRFANRHFSA-N 439.556 3.548 0 40 IHAB O=S(=O)(c1cccc(NC(=S)N2CCN(c3cccc(Cl)c3)CC2)c1)C(F)F 2709006 AFYSBOFSBZXDRD-UHFFFAOYSA-N 445.944 3.855 0 40 IHAB Cc1cc(O[C@H](C)C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c2c3c(c(=O)oc2c1)CCC3 4064988 WMFXLMDQUNVGID-YPBQGGFRSA-N 425.525 3.511 0 40 IHAB biogenic COCCCNC(=S)N(Cc1ccc(F)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O 6238940 XNICNWROQGGRBJ-UHFFFAOYSA-N 443.544 3.589 0 40 IHAB CCc1nnc(NC(=O)CSc2nnc(CNc3cccc(Cl)c3)n2CC)s1 6860951 WRPDJHBJFOEXGF-UHFFFAOYSA-N 437.982 3.708 0 40 IHAB Cc1nnc2n1N[C@@H](c1ccc(F)cc1)[C@@H](C(=O)Nc1ccc(Br)cc1)S2 9237658 GSFIYJRYAKUIHT-HOTGVXAUSA-N 448.321 3.886 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1)c1ccccn1 9284156 MUXMWIPCMVZPPA-UHFFFAOYSA-N 435.549 3.977 0 40 IHAB COc1ccc(OC)c(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccccc2OC(F)F)c1 9441132 JQEZLSJWYZSBND-GOSISDBHSA-N 449.479 3.737 0 40 IHAB CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)N2CCN(c3ccncc3)CC2)cs1 9501008 FXRCVPBALNBGNC-BQYQJAHWSA-N 433.537 3.585 0 40 IHAB COC(=O)C1=C(c2cc3ccccc3oc2=O)NC(=S)N[C@H]1c1ccc(Cl)cc1 9508691 MNHGSQMNHMYDSF-KRWDZBQOSA-N 426.881 3.550 0 40 IHAB COC(=O)c1sccc1S(=O)(=O)N(CC(=O)Nc1ccccc1C)c1ccccc1 9645950 LJQRQCLDOCTTKL-UHFFFAOYSA-N 444.534 3.677 0 40 IHAB CCOc1ccc(C(=O)N2CCN(c3ccc(Nc4ccccc4)nn3)CC2)cc1OCC 9716390 JJNKJZIBPQAKAW-UHFFFAOYSA-N 447.539 3.980 0 40 IHAB Cc1ccc(C)c(-n2c(C)cn3c4c(=O)n(C/C=C/c5ccccc5)c(=O)n(C)c4nc23)c1 10271839 XQHJQEBYTJHDDE-DHZHZOJOSA-N 439.519 3.777 0 40 IHAB COc1ccc(-c2nnc(O)c3c2[C@@H](c2ccc(C(C)C)cc2)n2nnnc2N3)cc1OC 10297219 QAUOWDDNYBDTRE-OAQYLSRUSA-N 445.483 3.671 0 40 IHAB COc1ccc(C(=O)N[C@@H](C)c2ccccn2)cc1S(=O)(=O)Nc1ccc(C)cc1 10556767 CDPMEWPVRYBQBE-INIZCTEOSA-N 425.510 3.690 0 40 IHAB CCc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)CC1=O 11533092 XRLJZTIWZCMOEC-HNNXBMFYSA-N 434.414 3.803 0 40 IHAB C[C@H](Sc1nnnn1Cc1ccco1)c1nc2scc(-c3ccco3)c2c(=O)[nH]1 11683094 ZDLHBKGZGXGALN-JTQLQIEISA-N 426.483 3.726 0 40 IHAB CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc(C3CCN(C(=O)Cn4ccnc4)CC3)cc2N1 12087584 OQZWJPLYHNUEBD-DLBZAZTESA-N 438.498 3.820 0 40 IHAB CCC(=O)c1ccc(OCC(=O)Nc2ccc(C)c(S(=O)(=O)N(CC)CC)c2)cc1 12548744 XZZOQNPSBHLLEX-UHFFFAOYSA-N 432.542 3.636 0 40 IHAB CC[C@H](C)c1ccc(NC(=O)CNc2cc(S(=O)(=O)NC3CC3)ccc2OC)cc1 12634692 PKHGPWZGOXLKEA-HNNXBMFYSA-N 431.558 3.700 0 40 IHAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)OCC(=O)Nc1c(C)cc(C)cc1Cl)(C3)C2 12683469 JXFIUUQWBQEKDA-WDXRGRCHSA-N 432.948 3.914 0 40 IHAB COc1ccc(C(=O)C2CCN(C(=O)[C@@H](NC(=O)c3ccc(F)cc3)C(C)C)CC2)cc1 12741011 LNMQHBKBCWONCO-QFIPXVFZSA-N 440.515 3.710 0 40 IHAB Cc1ccc(C(C)C)c(OC[C@@H](O)Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)c1 12753160 PNHGZIDUOSMTKG-IBGZPJMESA-N 436.487 3.593 0 40 IHAB CN(CC(=O)Nc1ccc2c(c1)OCCCO2)CC(=O)Nc1c(Cl)cccc1Cl 12767841 VUYYAPIGMCKSIG-UHFFFAOYSA-N 438.311 3.664 0 40 IHAB Cc1ccc(OCc2nc(C(=O)NCC(=O)Nc3ccc(F)c(F)c3F)cs2)cc1 12864146 XHIZDWIVSMHPDU-UHFFFAOYSA-N 435.427 3.816 0 40 IHAB CCOc1cc2c(cc1NC(=O)c1cccc(S(=O)(=O)N(C)C(C)C)c1)O[C@H](C)C2 12906016 TVLZHHOEXRCLDL-OAHLLOKOSA-N 432.542 3.690 0 40 IHAB COc1ccc(C(=O)NCc2ccccc2F)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C 13041348 GSOABEACXNIAQE-HNAYVOBHSA-N 434.533 3.621 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(Br)c3)C2)cc1 14022802 PALULOFTRLCILJ-HNNXBMFYSA-N 437.359 3.797 0 40 IHAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2 15310217 GRIWLCJIIVCHKX-YLJYHZDGSA-N 435.524 3.749 0 40 IHAB CCOc1ccc(NC2=NN=C(c3ccc4c(c3)CCN4S(=O)(=O)CC)CS2)cc1 15405502 RWMLDDYAASUQNA-UHFFFAOYSA-N 444.582 3.717 0 40 IHAB Cc1ccc(NC(=O)Nc2nnc(SCC(=O)NCCc3ccccc3)s2)cc1 15882651 HZXZPUSJKYCNIL-UHFFFAOYSA-N 427.555 3.942 0 40 IHAB COc1ccccc1-c1cc(C(F)F)n2ncc(C(=O)NC3C[C@@H]4CC[C@H](C3)N4C)c2n1 18166575 NDUVTEUQMCJKDY-GOOCMWNKSA-N 441.482 3.698 0 40 IHAB CCOC(=O)C1=C(CSc2nc3ccc(OCC)cc3[nH]2)NC(=O)N[C@@H]1c1ccco1 18193316 MHRBKRDFVCUJNH-GOSISDBHSA-N 442.497 3.518 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@@]3(CCc4ccccc4O3)CC2)cc1NC(C)=O 19022201 SDVBUIWIIYYJCO-HSZRJFAPSA-N 444.553 3.592 0 40 IHAB COc1cc2c(cc1OC)CN(C(=O)COC(=O)Cc1coc3cc(C)c(C)cc13)CC2 19060953 CVRLHPCRRNVLNZ-UHFFFAOYSA-N 437.492 3.737 0 40 IHAB Cc1ccc(-c2cccc(C[C@]3(C(N)=O)CN(C(=O)Cc4ccccc4)CCO3)c2)cc1 19212693 AVSHJLMNTMSXQV-HHHXNRCGSA-N 428.532 3.530 0 40 IHAB CNC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CCN(C(=O)Cc2cccc(C)c2)C1 19234606 GUBRLQPOACTHFC-HHHXNRCGSA-N 427.548 3.807 0 40 IHAB Cc1cccn2c(=O)cc(CSc3nnc(N4CCCCC4)n3-c3ccccc3)nc12 19299012 FNRUKNVFLPHYAT-UHFFFAOYSA-N 432.553 3.866 0 40 IHAB Fc1ccc(OCCCN2CCC[C@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)cc1 19335919 XYPUOWKKIWXWBE-JCGIZDLHSA-N 427.446 3.886 0 40 IHAB CN(C)C(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)Cc2cccnc2)C1 19580020 PQZGYAGVTJVFOC-VWLOTQADSA-N 433.577 3.902 0 40 IHAB Cc1nc(C2CCN(C(=O)c3cc[nH]n3)CC2)nc2c1CCCN2Cc1ccc(F)cc1 19707888 KLAQFXQIEWIILT-UHFFFAOYSA-N 434.519 3.620 0 40 IHAB Cc1nc(C2CCN(C(=O)[C@@H]3CCCO3)CC2)nc2c1CCC(=O)N2CC1CCCCC1 19739512 UWWREPWNBIMIMJ-NRFANRHFSA-N 440.588 3.530 0 40 IHAB CC[C@H](c1ccc(F)cc1)N(C)C(=O)Cn1cc(C(=O)Nc2ccc(F)cc2)ccc1=O 19751703 OWZQYXDRHYRIQH-OAQYLSRUSA-N 439.462 3.989 0 40 IHAB O=C(Nc1cc(F)ccc1F)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 20008394 JUOLHNZXTKGLEN-FQEVSTJZSA-N 434.439 3.632 0 40 IHAB CC1=C(C(=O)N2CCOCC2)[C@H](c2ccccc2)n2ncnc2N1Cc1ccc(Cl)cc1 20674190 QAKYSXPBINHELK-QFIPXVFZSA-N 449.942 3.674 0 40 IHAB Cn1cc(C(=O)N2CCN(C(=O)c3cccc(Br)c3)CC2)c2ccccc21 20744845 ANCHPYWCVIWTBN-UHFFFAOYSA-N 426.314 3.539 0 40 IHAB O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1ccccc1)c1cnccn1 20926138 ZUGFEYPJCOCCKS-UHFFFAOYSA-N 438.509 3.696 0 40 IHAB COC(=O)c1cccc(COC(=O)c2sc3nc4n(c(=O)c3c2C)CCCCC4)c1 21276746 CLEATGZOSXQEHT-UHFFFAOYSA-N 426.494 3.636 0 40 IHAB COc1ccc([C@H](C)NC(=O)CCCN(c2cc(C)ccc2C)S(C)(=O)=O)cc1OC 22516453 NSLUDSVVWWWSJS-SFHVURJKSA-N 448.585 3.744 0 40 IHAB CCc1ccc(S(=O)(=O)NCCc2csc3nc(-c4cccc(F)c4)nn23)s1 22696546 PASPJSLIASVDPC-UHFFFAOYSA-N 436.559 3.742 0 40 IHAB C[C@H](NC(=O)C(=O)NC[C@H](c1cccs1)N1CCc2ccccc2C1)c1ccccc1 22908295 OWLAWQJLNWHFKW-PGRDOPGGSA-N 433.577 3.841 0 40 IHAB CCOc1ccccc1N1CCN(CC(=O)N[C@@H](C)c2ccc(Br)cc2)CC1 24838352 JAMWUXGLHNUGHA-KRWDZBQOSA-N 446.389 3.847 0 40 IHAB CC(=O)c1ccc(N2CCN(C(=O)Cc3cc(Cl)c4c(c3)OCCCO4)CC2)cc1 26775402 ZDKQRISAZZEWTO-UHFFFAOYSA-N 428.916 3.595 0 40 IHAB COc1ccc(-c2nnc(S[C@@H](C)C(=O)NCc3ccco3)n2C[C@@H]2CCCO2)cc1 28678054 PHWFFGRLNVJGNC-KXBFYZLASA-N 442.541 3.523 0 40 IHAB Cc1c(CC(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)c(=O)oc2c(C)c(O)ccc12 32095040 CRORJMLURDSJGY-UHFFFAOYSA-N 441.911 3.822 0 40 IHAB C[C@]12CCC(=O)N1[C@H](C(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl)CS2 32810828 DZCVXGGNTWYKIO-UGSOOPFHSA-N 425.341 3.631 0 40 IHAB O=C(Cn1cc(-c2nc(-c3ccc(Cl)cc3)no2)ccc1=O)NCCCc1ccccc1 33293222 NXKCTNKTLCLXKW-UHFFFAOYSA-N 448.910 3.968 0 40 IHAB COc1ccccc1N1CCN(C(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)CC1 38836146 QTDSRPIWRYAELM-HXUWFJFHSA-N 427.976 3.909 0 40 IHAB Cn1ccnc1C(=O)c1ccc(NC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)cc1 40012219 DXDFXNUDZWPCHP-UHFFFAOYSA-N 425.872 3.647 0 40 IHAB Cc1noc2ncc(C(=O)N[C@@H](CN3CCCC3=O)c3cccc(C(F)(F)F)c3)cc12 40121247 MADKLNOKUMKAPZ-KRWDZBQOSA-N 432.402 3.644 0 40 IHAB CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(Br)cc2C)c1=O 40478544 ZAKSJEQGOWKXPP-UHFFFAOYSA-N 444.329 3.673 0 40 IHAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C)cc2C)cc1I 44947282 QEYFHHHPSOGKHR-CYBMUJFWSA-N 445.322 3.956 0 40 IHAB Cc1ccc(NC(=O)Cn2c(C)nc3c(-c4ccncc4)nsc3c2=O)cc1Cl 49401729 KZLYECXNXLXHNZ-UHFFFAOYSA-N 425.901 3.824 0 40 IHAB CCc1cc(=O)n(CC(=O)Nc2cc(Cl)c(OC)cc2OC)c(-c2ccccc2)n1 57527271 HWBLITWLWSKUHM-UHFFFAOYSA-N 427.888 3.782 0 40 IHAB COC(=O)c1ccnc(N2CCCN([C@H](C(=O)Nc3ccccc3)c3ccccc3)CC2)c1 57993658 NHMDQRXVLUJABL-DEOSSOPVSA-N 444.535 3.760 0 40 IHAB CCCN1CCc2nc(SCC(=O)Nc3cccc(C(F)(F)F)c3)nc(O)c2C1 67291684 DAPGZYWQGZGTBE-UHFFFAOYSA-N 426.464 3.700 0 40 IHAB C[C@H]1CCCCN1CCCCNC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O 70006492 TYJNLJNVJBONJI-FQEVSTJZSA-N 447.579 3.910 0 40 IHAB CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1cccc(C(=O)O)c1 72191551 FAZYHGOWPHBZOI-UHFFFAOYSA-N 440.525 3.923 0 40 IHAB COc1ccc(-c2cnc(N)nc2[C@@H]2CCCN(CC(=O)Nc3ccc(F)cc3)C2)cc1 72345938 COMXMNDNCAEFTG-QGZVFWFLSA-N 435.503 3.692 0 40 IHAB CCN1CCN(C(=O)Cc2cccc(OC)c2)[C@H](Cc2ccccc2-c2cccnc2)C1=O 72351547 HPHJUBWUGJRJBI-RUZDIDTESA-N 443.547 3.602 0 40 IHAB Cc1cc(Cc2ccccc2Cl)cc([C@@H]2CCCN(C(=O)CN3CCOCC3)C2)n1 72353956 QLGVJPJCGSWADB-OAQYLSRUSA-N 427.976 3.672 0 40 IHAB CC(C)NC(=O)c1sc2ccccc2c1C[C@@H]1CCCCN1C(=O)CN1CCCC1=O 72370565 NTUCQDHETJMCBQ-KRWDZBQOSA-N 441.597 3.586 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)C2CCCC2)cc1)[C@@H](c1ccccc1F)N1CCOCC1 89813177 YCUDBASFMNYUET-JOCHJYFZSA-N 446.544 3.554 0 40 IHAB CC(C)([C@@H](NC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)c1ccc(F)c(F)c1)N1CCCC1 96011858 BWYSOYLODGAVTL-RXVVDRJESA-N 433.543 3.645 0 40 IHAB CN1N=C(c2ccccc2)[C@@H](C(c2cccs2)[C@H]2C(=O)N(C)N=C2c2ccccc2)C1=O 100950226 UDLKONKPYGNEJY-NHCUHLMSSA-N 442.544 3.817 0 40 IHAB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)o1 205707405 KJRRGHRCMSBEDI-RQZCQDPDSA-N 429.450 3.941 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N2c3ccccc3C[C@@H]2C)C1 222596091 IZDZUFXPFKRRGG-DOTOQJQBSA-N 448.972 3.727 0 40 IHAB CC1(C)C[C@H](NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c2ccccc2O1 223981564 QLAZZGYNXBPARF-IBGZPJMESA-N 426.538 3.566 0 40 IHAB Cc1ccc(Cl)cc1N(CCCC(=O)NCCOc1ccc(F)cc1)S(C)(=O)=O 224050731 WGHVXFOJEYCCOG-UHFFFAOYSA-N 442.940 3.529 0 40 IHAB CC[C@@H](C(=O)NCCc1ccc(Cl)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 224305891 QMSPXYIHXAUNEU-SFHVURJKSA-N 429.369 3.897 0 40 IHAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccccc1C(F)(F)F 225689300 LTCOIZLMABTGFE-QGZVFWFLSA-N 430.448 3.897 0 40 IHAB C[C@@H]1CCCN(c2cc(N3CCOCC3)nc(NC(=S)NC3CCCCCC3)n2)C1 226010093 GPIKKVZWKYKSTJ-QGZVFWFLSA-N 432.638 3.559 0 40 IHAB COc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCN3[C@]23C(=O)Nc2c(Cl)cc(C)cc23)cc1 248330417 FSXFFARJUOASMZ-WIRVKHDMSA-N 425.916 3.927 0 40 IHAB COc1ccc([C@@H]2CN(C(=O)c3cccc(OC)c3OCc3ccccn3)CCN2C)cc1 257275902 NRLORQOZHDWEKH-QHCPKHFHSA-N 447.535 3.807 0 40 IHAB Cc1ccc(C(=O)O)c(OCC(=O)N(CCCn2ccnc2)Cc2ccccc2F)c1 257287570 PQMUVETVBGIZNO-UHFFFAOYSA-N 425.460 3.527 0 40 IHAB Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)NCCCN3CCC[C@H](C)C3)c2)c1 260565663 RQROSMYUFRIOKV-FQEVSTJZSA-N 443.613 3.672 0 40 IHAB COC(=O)[C@H]1CN(C(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)c2ccccc2O1 260825648 IOUMJKRXAIVOLK-LAUBAEHRSA-N 428.916 3.519 0 40 IHAB CCc1ccc(N(CC(=O)NCCCOC(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 408546767 VJPHKIAHMYWPRM-UHFFFAOYSA-N 432.586 3.684 0 40 IHAB Cc1c(C)c(C)c([C@H]2c3c(n(C)c(=O)n(C)c3=O)N=C3c4ccccc4C(=O)[C@H]32)c(C)c1C 408733574 KSVRWROEKTUIMB-RTWAWAEBSA-N 441.531 3.705 0 40 IHAB Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cccc(F)c2C)cc1 409002370 NLDKLKSPDFGPDX-QFIPXVFZSA-N 426.513 3.971 0 40 IHAB Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)s1 409146586 UOZONUGHAHZQEG-LDADJPATSA-N 443.550 3.568 0 40 IHAB C[C@@H]1CCc2[nH]c3ccc(C(=O)N4C[C@H](C[C@H]5COCC(=O)N5)c5ccccc54)cc3c2C1 564024232 PIAZTHRYDYKGFA-NEWSRXKRSA-N 443.547 3.942 0 40 IHAB CCN1CCN(C(=O)c2cccc(OC)c2)[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O 585169011 LZKHNQHOEBLCNF-DEOSSOPVSA-N 429.520 3.673 0 40 IHAB CC(C)OCCCNC(=O)CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12 604405517 PCMHIDULHWXNQM-HSZRJFAPSA-N 435.524 3.513 0 40 IHAB biogenic COC(=O)C1=C(N)Oc2cc(O)ccc2[C@H]1c1ccc(OCc2ccccc2C#N)cc1 639276 JVYOUQDORSRZEQ-JOCHJYFZSA-N 428.444 3.710 0 40 IHAB C[C@H](NC(=O)c1ccc(Cl)cc1)c1nnc(SCC(=O)NC2CCCCC2)n1C 813770 KNXHOZVUSBBFSM-ZDUSSCGKSA-N 435.981 3.501 0 40 IHAB Cc1cccc(N2C(=O)c3ccc(C(=O)OCC(=O)Nc4ccccc4)cc3C2=O)c1C 952514 LNLOYGRUWCMSJW-UHFFFAOYSA-N 428.444 3.900 0 40 IHAB CCOc1ccc([C@@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3nnnn32)cc1OC 954703 PRMUTNWHHTUACC-LJQANCHMSA-N 440.891 3.661 0 40 IHAB CCc1cccc(CC)c1N1C[C@@H](C(=O)OCC(=O)Nc2cccc(Cl)c2)CC1=O 1289385 NCAAPUNSMXURSV-KRWDZBQOSA-N 428.916 4.000 0 40 IHAB COc1ccc(C(=O)N/C(=C\c2cn(C)c3ccccc23)C(=O)N2CCCC2)cc1OC 2318337 HKGVMYKJDJMOGA-ZHZULCJRSA-N 433.508 3.589 0 40 IHAB COc1ccccc1-n1c(SCC(=O)Nc2ccccc2F)nc2c(c1=O)SCC2 2719815 OBXJPQQZOOXRDD-UHFFFAOYSA-N 443.525 3.759 0 40 IHAB C[C@H]1CCc2c(sc(NC(=O)c3ccn(COc4ccccc4F)n3)c2C(N)=O)C1 2798066 JYGXFUCAFDMREA-LBPRGKRZSA-N 428.489 3.596 0 40 IHAB Cc1cccc(-n2c(SCC(=O)N3CCOCC3)nnc2-c2ccc(Cl)cc2)c1 3483343 KSRIXLGSAUNAND-UHFFFAOYSA-N 428.945 3.847 0 40 IHAB COc1ccc(Cl)cc1NC(=O)CN1C(=O)N[C@](C)(c2cccc3ccccc23)C1=O 3610713 RDIMAQMULLHADV-HSZRJFAPSA-N 437.883 3.908 0 40 IHAB CC(C)(C)OC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC(C)(C)C)[C@H]1/C=C/c1ccccc1 4936512 XPPRYOYKKOSLAZ-YWGHDGQUSA-N 430.541 3.956 0 40 IHAB Cc1ccc2cc(CN(Cc3ccccc3)C(=S)NCCCN(C)C)c(=O)[nH]c2c1C 6410247 DADYFCFYLQXXIL-UHFFFAOYSA-N 436.625 3.973 0 40 IHAB CC(C)(C)c1ccc(-c2cn(C[C@H]3C[C@@H]4CCN3C[C@@H]4C(=O)NCc3ccco3)nn2)cc1 8297623 JFYPCOMTCPKZLT-WPYKKVEZSA-N 447.583 3.862 0 40 IHAB biogenic,in-vitro CSc1nc(NCC(C)C)c2cnn(CCNC(=O)C34CC5CC(CC(C5)C3)C4)c2n1 8942240 CWOOWHGTIHETIS-UHFFFAOYSA-N 442.633 3.949 0 40 IHAB COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)NCc2ccccc2F)c1 9468219 GZQQWBMROURWGK-UHFFFAOYSA-N 442.512 3.898 0 40 IHAB Cc1ccccc1CN(C)CC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 9493622 DCPHQBXEFQEJIJ-UHFFFAOYSA-N 437.565 3.891 0 40 IHAB Cn1nnnc1SCC(=O)N(Cc1ccc(F)cc1)c1nc(-c2ccccc2)cs1 9580876 JTFPROLFCCOAJM-UHFFFAOYSA-N 440.529 3.798 0 40 IHAB COC(=O)c1sccc1S(=O)(=O)N(CC(=O)Nc1ccc(F)cc1)c1ccccc1 9645977 IBHMALLOLPBFHM-UHFFFAOYSA-N 448.497 3.508 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H](c3ccc(Cl)cc3)C3CC3)CC2)cc1 9757778 XGJKRSZQAWOYRH-NRFANRHFSA-N 447.988 3.816 0 40 IHAB Cc1cccc(N2CCN(C(=O)CN3CCC[C@H]3c3ccc4c(c3)OCCCO4)CC2)c1 10055807 QOQPFBIJCVHECR-QHCPKHFHSA-N 435.568 3.642 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc(-c4cccnc4)cs3)CC2)cc1 10337578 PNBOPPFYXPRTIW-UHFFFAOYSA-N 442.566 3.553 0 40 IHAB CN(CC(=O)N1CC=C(c2c[nH]c3ccccc23)CC1)S(=O)(=O)c1ccc(Cl)s1 11074144 XAAMROASAJQQGR-UHFFFAOYSA-N 449.985 3.819 0 40 IHAB CCOc1ccc(Cc2nnc(SCC(=O)Nc3cccc(Cl)c3)[nH]c2=O)cc1 12347728 GPJGTMLITBYMHE-UHFFFAOYSA-N 430.917 3.539 0 40 IHAB Cc1cc(C(=O)COC(=O)C[C@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)c(C)n1C 12426264 AGVACXOXDLNUIW-QGZVFWFLSA-N 440.443 3.890 0 40 IHAB CCN1C[C@H](CN(C)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)Oc2ccccc21 12543851 OQXNJPZTSDAVEH-CSKUQDPHSA-N 442.604 3.690 0 40 IHAB O=C(CCc1ccc2c(c1)OCO2)Nc1cccc(S(=O)(=O)Nc2ccccc2F)c1 12608147 BXSOAFPKQDYXSZ-UHFFFAOYSA-N 442.468 3.927 0 40 IHAB NS(=O)(=O)c1ccc(CCNC(=O)c2cccnc2Sc2ccccc2Cl)cc1 12747963 MXLZEGBIOAZTBS-UHFFFAOYSA-N 447.969 3.506 0 40 IHAB COc1ccccc1-c1cc(CN2CCN(S(=O)(=O)c3ccccc3Cl)CC2)on1 12767561 OUNIPBUZZFTXPA-UHFFFAOYSA-N 447.944 3.510 0 40 IHAB Cc1cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc4C3)c2)no1 12850209 DDFJYQHTLVVOIU-UHFFFAOYSA-N 431.901 3.636 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)CCc3ccccc3)CC2)c(C)c1 12997705 BUYWSQZGNGZKRK-FQEVSTJZSA-N 428.598 3.842 0 40 IHAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(-c2ccc(Cl)cc2)on1 13004898 BFTIROAVYZOGRM-UHFFFAOYSA-N 438.871 3.520 0 40 IHAB Cc1ccc(C(=O)[C@@H]2[C@H](c3ccc(Cl)cc3)NC(=S)N[C@@]2(O)C(F)(F)F)cc1 13109400 CXTLQMTZCXJYPB-MPGHIAIKSA-N 428.863 3.917 0 40 IHAB CS(=O)(=O)N(CC(=O)NCCSCc1ccc(Cl)cc1)c1ccccc1Cl 13388823 PBZAFWUQFARGFR-UHFFFAOYSA-N 447.409 3.809 0 40 IHAB COc1cc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccccc3[nH]2)cc(OC)c1OC 15084815 KDUVBTBJCFVZMD-AWEZNQCLSA-N 433.468 3.557 0 40 IHAB COC(=O)c1ccccc1NC(=O)c1cccn(Cc2cccc(C(F)(F)F)c2)c1=O 15882812 NYTZUMYCWYNNEB-UHFFFAOYSA-N 430.382 3.954 0 40 IHAB Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4c3ccc(C)c4C)[C@@H]2C1=O 16000534 MILNJVZYCPJSNJ-XVIHEJCXSA-N 449.938 3.696 0 40 IHAB COc1ccc(-c2nc3scc(CCNC(=O)/C=C/c4ccccc4)n3n2)cc1OC 16047685 BVGKBOOMGFCFTB-DHZHZOJOSA-N 434.521 3.847 0 40 IHAB COCCCNC(=O)/C(=C/C1=Cc2ccccc2O[C@@H]1C)NC(=O)c1ccc(Cl)cc1 16779290 BNNICPWVSFNDME-KQRQPNSISA-N 440.927 3.971 0 40 IHAB O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1cccs1)N2)N1CCN2CCC[C@@H]2C1 17094414 VLXJAOYICCCTEV-DVOMOZLQSA-N 425.480 3.525 0 40 IHAB COc1cccc2sc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)nc12 17245469 ROBJJLGUVDRCNM-CQSZACIVSA-N 445.566 3.978 0 40 IHAB Cc1ccc2cc([C@H](c3nnnn3C(C)(C)C)N3CCc4ccccc4C3)c(=O)[nH]c2c1 19221887 KVGWKMTYQURVEH-JOCHJYFZSA-N 428.540 3.726 0 40 IHAB COc1cc(CC(=O)N2CCC[C@@H](c3nc(C)n4ccsc34)C2)cc(OC)c1OC 19240754 XQMDLJQDVMTVDA-MRXNPFEDSA-N 429.542 3.679 0 40 IHAB Cn1ccnc1-c1c(-c2ccc(Cl)cc2)cnn1CCNC(=O)COc1ccccc1 19291756 NZPQVSPZPGMLAW-UHFFFAOYSA-N 435.915 3.799 0 40 IHAB NC(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)COc2ccccc2F)C1 19350156 NUKHBWSYVBGEAS-DEOSSOPVSA-N 438.524 3.880 0 40 IHAB COc1c(CN2CC[C@](Cc3ccc(-c4ccccc4)cc3)(C(=O)N(C)C)C2)c(C)nn1C 19577924 RHSYSZFZCMRXOI-HHHXNRCGSA-N 446.595 3.927 0 40 IHAB Cn1cc2c(n1)[C@H](C(=O)NCCc1c[nH]c3ccc(F)cc13)CN(Cc1ccc(F)cc1)C2 19701270 PXJOVTKJPUEKNJ-JOCHJYFZSA-N 449.505 3.638 0 40 IHAB CCN(CC)C(=O)c1cnc([C@H]2CCCCN2C(=O)c2cc(C(C)(C)C)nn2C)nc1C 19765522 BBRZPEULUAFSNB-GOSISDBHSA-N 440.592 3.665 0 40 IHAB COc1ccccc1NC(=O)c1cnc([C@@H]2CCN(C(=O)c3ccccc3OC)C2)nc1C 19766197 PRETUYWOIKNFPF-QGZVFWFLSA-N 446.507 3.684 0 40 IHAB COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)Nc1ccc(C(C)C)cc1)=C2C 20063939 KYYTYSSNBFOVHQ-UHFFFAOYSA-N 430.526 3.977 0 40 IHAB CCc1ccc(N2C[C@H](c3nnc(NC(=O)c4ccc5c(c4)OCO5)s3)CC2=O)cc1 20578655 CYIMRTRIZMSCCV-OAHLLOKOSA-N 436.493 3.602 0 40 IHAB Cc1ccc(CN(C(=O)c2cc(-c3ccc(C)c(F)c3)on2)[C@@H]2CCS(=O)(=O)C2)o1 20898240 KOVVPHHZPSIEEX-MRXNPFEDSA-N 432.473 3.520 0 40 IHAB COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1Cc1nc(-c2ccc(F)cc2)no1 20945533 LWPWIQGMWCQIPO-SFHVURJKSA-N 441.459 3.555 0 40 IHAB O=C(CN1CCCN(Cc2ccccc2Cl)S1(=O)=O)Nc1ccc(F)c(Cl)c1 21729505 QFAMPBKPMOACKJ-UHFFFAOYSA-N 446.331 3.524 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCN(Cc3nc(-c4cccs4)cs3)CC2)cc1 22605924 ZFTKNIJTRMARIL-UHFFFAOYSA-N 449.623 3.777 0 40 IHAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc(NC(=O)CN2CCOCC2)cc1 23054841 ABCRVMBXOMLYFH-UHFFFAOYSA-N 429.520 3.806 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)COc2ccc(C(C)(C)C)cc2)c1 23055103 YCQIAZSLDJRWCJ-UHFFFAOYSA-N 434.558 3.738 0 40 IHAB CC(=O)c1ccc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 23425961 OAIJKZMXVXXFML-UHFFFAOYSA-N 434.561 3.985 0 40 IHAB COc1cccc(NC(=O)CN(C)C(=O)c2c(C)nn(Cc3ccccc3)c2Cl)c1 24589567 IRSZKWXAWYBXRZ-UHFFFAOYSA-N 426.904 3.613 0 40 IHAB Cc1cccc(OCC(=O)N(Cc2c(F)cccc2Cl)[C@H]2CCS(=O)(=O)C2)c1C 27663526 UGEMPYCWAKUIJT-INIZCTEOSA-N 439.936 3.691 0 40 IHAB CCCN(CC(=O)Nc1ccccc1C)C(=O)[C@@H]1CC(=O)N(c2ccccc2OCC)C1 31463800 YOAOXHQTCKSPIM-LJQANCHMSA-N 437.540 3.624 0 40 IHAB O=C(NC1CCN(C(=O)C2(c3ccc4c(c3)OCCO4)CCCC2)CC1)c1ccccc1 32470211 CDTAZMKMGZHUDL-UHFFFAOYSA-N 434.536 3.691 0 40 IHAB CN(Cc1cccc(S(=O)(=O)N2CCOCC2)c1)C(c1ccccc1)c1ccccc1 32668156 NXUPKKAUQNAXSB-UHFFFAOYSA-N 436.577 3.929 0 40 IHAB CCn1c(Cc2ccccc2)nnc1SCc1nnc2n(CC)c(=O)c3ccccc3n12 32858142 NUAOLBZHVYPURV-UHFFFAOYSA-N 445.552 3.559 0 40 IHAB CC(C)c1ccc(-c2noc(CCC(=O)Nc3ccc(N4CCN(C)CC4)nc3)n2)cc1 32898869 WFFOTBRRNONZGM-UHFFFAOYSA-N 434.544 3.578 0 40 IHAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CC(=O)NC(=O)Nc1ccccc1)CC2 35392648 PYOFGPRWPQTLNV-RUZDIDTESA-N 445.519 4.000 0 40 IHAB COc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 35405391 YYOXWMVGAQIUFM-UHFFFAOYSA-N 441.421 3.688 0 40 IHAB Cc1cccc(Oc2nc3ccccc3n3c(=O)n(CC(=O)NC4CCCCC4)nc23)c1C 35425296 SJVZVLPKADOKOE-UHFFFAOYSA-N 445.523 3.902 0 40 IHAB CCOc1cc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)NCc2ccccc2)ccc1O 35851989 NKBFIPOZZNNWSJ-BYXVTNLJSA-N 438.568 3.775 0 40 IHAB CC(C)(C)OC(=O)CNS(=O)(=O)c1ccc(OCc2ccc(F)cc2Cl)cc1 36377895 HMVFUCVLFRWECD-UHFFFAOYSA-N 429.897 3.678 0 40 IHAB in-vitro CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N(Cc1nc2ccccc2c(=O)[nH]1)C(C)C 39995522 ADNBZQXGJBMVKH-QFIPXVFZSA-N 430.508 3.624 0 40 IHAB CCOc1cc(CN(C)[C@H](C)C(=O)NC(=O)NC2CCCCC2)ccc1OC(F)F 40086159 DUOQCBAZSDBBMI-CQSZACIVSA-N 427.492 3.666 0 40 IHAB COc1cc([C@H](C)NC(=O)c2cc(C(C)C)nc3c2c(C)nn3C)cc(OC)c1OC 40111755 QGYFJEARNIQRQL-ZDUSSCGKSA-N 426.517 3.917 0 40 IHAB COc1ccc(Cl)cc1N([C@H](C)C(=O)N[C@@H]1CCCc2ccccc21)S(C)(=O)=O 44841326 LEPWFQOAQXJZPK-RDTXWAMCSA-N 436.961 3.697 0 40 IHAB Cc1cc(C)cc(Nc2nc(C)cc3nn(CC(=O)Nc4cccc(Cl)c4)c(=O)n23)c1 49410684 HHRCKHBVKJIAHG-UHFFFAOYSA-N 436.903 3.852 0 40 IHAB CCOC(=O)c1c(NC(=O)CN[C@H](c2ccccc2)C(C)C)sc(C(=O)NC)c1C 57315510 IHLDFZBSQCDGJH-SFHVURJKSA-N 431.558 3.518 0 40 IHAB Cc1cc(C)cc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc4c(c3)CCC4)c2=O)c1 57492379 FDODYZQGPNTPNK-UHFFFAOYSA-N 445.544 3.958 0 40 IHAB O=C1NC2(CCCC2)C(=O)N1CCCNC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 58289457 HIYJGSOQZSHHLM-ADXLDGDMSA-N 449.595 3.896 0 40 IHAB O=S(=O)(c1ccc(NCC2(c3ccc(F)cc3)CCOCC2)nc1)N1CCCCC1 72020268 JTJDPLCJBLETDF-UHFFFAOYSA-N 433.549 3.556 0 40 IHAB COc1cccc2[nH]cc([C@@H](CC(=O)N[C@@H]3CCS(=O)(=O)C3)c3ccc(Cl)cc3)c12 95479859 POHHEPQUUUQVCE-SJORKVTESA-N 446.956 3.655 0 40 IHAB CC(C)[C@H](NC(=O)Cn1nc(-c2ccccc2Cl)ccc1=O)c1nc2ccccc2[nH]1 96232150 YLXCFHVEMNHLDF-QFIPXVFZSA-N 435.915 3.954 0 40 IHAB COc1cccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@H]4CC[C@@H](C)C[C@H]4C3=O)cc2)c1 102081111 NTYHAIHECWWSLF-GQWLDOHISA-N 435.476 3.661 0 40 IHAB Cc1cccc(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1C 102086907 YHXASPCDONLQAN-IWGWFBSKSA-N 440.543 3.906 0 40 IHAB COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccccc2)c(OC)c1 102729647 MURCILWVRZTRIQ-DNVJHFABSA-N 448.450 3.894 0 40 IHAB O=C(COC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 108858514 RTUYVXZGDBSPCZ-HRCADAONSA-N 440.462 3.850 0 40 IHAB COC(=O)c1cn(C(=O)CCCN(c2ccccc2C)S(C)(=O)=O)c2ccccc12 222636410 WZTUAGWNFDQKAT-UHFFFAOYSA-N 428.510 3.623 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(OC)cc3OC)cc2)cc1 223981065 OYYLCDNFZABTLU-UHFFFAOYSA-N 442.493 3.766 0 40 IHAB COc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NCC(C)C)cc1 224244031 ZYGANTQHIDBBIS-KRWDZBQOSA-N 432.948 3.917 0 40 IHAB CCOc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1COc1ccccc1C 224375776 MMDJFIYEIIRFKY-UHFFFAOYSA-N 440.521 3.872 0 40 IHAB CC[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N(c1cccc(OC)c1)S(C)(=O)=O 224972877 RQZZDZONWIPZMS-QFIPXVFZSA-N 445.585 3.869 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)NC[C@@H](C)c1ccccc1 225136045 HFJLHGZTDXYIOD-LJQANCHMSA-N 444.597 3.722 0 40 IHAB CCn1c(=O)sc2cc(S(=O)(=O)NCCSCc3ccccc3Cl)ccc21 225688054 CIFVKCNIJKUBEV-UHFFFAOYSA-N 443.015 3.948 0 40 IHAB Cc1cc(-c2ccccc2)cc([C@@H]2CCCN(C(=O)c3ccc(S(N)(=O)=O)cc3)C2)n1 257228109 FSHXLYIIOKMAND-HXUWFJFHSA-N 435.549 3.724 0 40 IHAB CC(=O)Nc1ccc(C(=O)N2CCN(C)C(=O)[C@H]2Cc2cccc(-c3cccs3)c2)cc1 257276366 NTJLZHNVQXCAJA-JOCHJYFZSA-N 447.560 3.899 0 40 IHAB O=C(c1cccc(Cn2cccn2)c1)N1CCC[C@@H]1c1nc(Cc2ccc(F)cc2)n[nH]1 257314626 UXSYPOYDHHMRKX-OAQYLSRUSA-N 430.487 3.757 0 40 IHAB CC(C)n1nccc1[C@H]1CN(CC2CCCC2)C[C@@]12OCCN(Cc1ccccc1)C2=O 306138723 SFRIYXKTQZIBOJ-ZEQKJWHPSA-N 436.600 3.851 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3F)C2)cc1Cl 408635966 LJCLKESSTZBMQD-CQSZACIVSA-N 440.924 3.917 0 40 IHAB Cc1ccccc1N1C[C@H](C(=O)Oc2cccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)c2)CC1=O 408649742 AFCKYNLBFCIPBR-QMMLZNLJSA-N 446.503 3.633 0 40 IHAB CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=C2/NC(=S)NC2=O)c1Cl 408817981 XJRWYZKWPHVRCM-JXMROGBWSA-N 426.281 3.852 0 40 IHAB COCCNC(=O)Cn1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c2ccccc21 409126558 CNJRINWUVOIUOT-MOSHPQCFSA-N 435.505 3.645 0 40 IHAB C[C@@H](NC(=O)c1n[nH]c2ccccc12)C(=O)N[C@H](C)c1ccc(Oc2cccnc2)cc1 517995253 XJRCPTCCEIPGHB-HZPDHXFCSA-N 429.480 3.746 0 40 IHAB CCCc1cnc(Nc2cc(C)nc(C3CCN(C(=O)[C@]4(C)CCCN4)CC3)n2)s1 585263282 AFPYXDFPZBFQHG-QFIPXVFZSA-N 428.606 3.786 0 40 IHAB Cn1cc(CCC(=O)N2CCOCCOc3ccc(F)cc3Cc3cccc(c3)C2)cn1 643550955 MRGXCBZHBUPUKT-UHFFFAOYSA-N 437.515 3.520 0 40 IHAB CC(C)O[C@@H](C(=O)N1CCn2c(Cc3cccc(F)c3F)nnc2C1)c1ccccc1 1132826509 APZPPMWZBXJWLR-JOCHJYFZSA-N 426.467 3.656 0 40 IHAB COc1ccccc1CCNC(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 918169 GBALOEONAWWBFR-UHFFFAOYSA-N 430.386 3.989 0 40 IHAB COc1ccccc1-c1nc(C(=O)NCCCN2CCOCC2)cc2c1[nH]c1ccccc12 2113543 AKRZBCWJQQJSSC-UHFFFAOYSA-N 444.535 3.844 0 40 IHAB biogenic COc1cc(/C=c2/sc3nnc(-c4ccccc4)n3c2=O)ccc1OCc1ccccc1 2376059 JAXXCDOKAQUBEX-PXLXIMEGSA-N 441.512 3.953 0 40 IHAB O=C(Nc1ccc(Br)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1 2465344 GAPLBTJDSANJNH-UHFFFAOYSA-N 429.361 3.550 0 40 IHAB Cc1ccc(CNC(=O)Cn2cc(C(=O)c3ccc(F)cc3)c(=O)c3ccc(C)nc32)cc1 8598917 GWDKXMYNNQROKF-UHFFFAOYSA-N 443.478 3.700 0 40 IHAB COc1cc2oc(=O)c(CC(=O)NCc3ccc(OC)c(OC)c3)c(C)c2cc1Cl 8612585 WXCCKJPNQTZFSS-UHFFFAOYSA-N 431.872 3.640 0 40 IHAB C[C@H](Sc1nnc(-c2cc(Br)ccc2O)n1C)C(=O)Nc1nccs1 9096085 DKVJIBKSMCPSGN-QMMMGPOBSA-N 440.348 3.526 0 40 IHAB COc1ccc(C(=O)n2nc(-c3cccnc3)nc2NCc2ccc(F)cc2)cc1OC 9129978 WXSIGQGGEMPQST-UHFFFAOYSA-N 433.443 3.797 0 40 IHAB CSc1ccc([C@@H]2N=C(NCCc3c[nH]c4ccccc34)Nc3nc(C)cc(=O)n32)cc1 9287557 HRTPXMGLCXCYKP-JOCHJYFZSA-N 444.564 3.916 0 40 IHAB CN1Cc2cc(C(=O)c3cc(Cl)cc(CSc4ncccn4)c3O)cnc2NC1=O 9414890 ZTJNWWANFGWTCN-UHFFFAOYSA-N 441.900 3.731 0 40 IHAB CCOc1ccc(-c2nnc3ccc(SCC(=O)Nc4nc(C)cs4)nn23)cc1 9415316 QZTIQOOGEVOMMO-UHFFFAOYSA-N 426.527 3.686 0 40 IHAB O=C(Cn1cc(S(=O)(=O)Cc2ccccc2Cl)c2ccccc21)NC[C@H]1CCCO1 9568871 AHVZRTOQVTZULT-QGZVFWFLSA-N 446.956 3.564 0 40 IHAB Cc1ccc2nc(NC(=O)CSc3ccc4nnc(-c5cccnc5)n4n3)sc2c1 9599835 GCXAYHUCSKNNEU-UHFFFAOYSA-N 433.522 3.835 0 40 IHAB COc1ccc(-n2ccnc(SCC(=O)Nc3ccc(F)cc3F)c2=O)cc1Cl 9761407 RPVCPGRGKGEDPO-UHFFFAOYSA-N 437.855 3.904 0 40 IHAB O=C(Nc1nnc(-c2cc3ccccc3o2)o1)c1ccc(S(=O)(=O)N2CCCC2)cc1 9828015 GRKQFBSGMLNRHZ-UHFFFAOYSA-N 438.465 3.520 0 40 IHAB Cc1ccc(Cn2nc(C)c(C(=O)OCc3cc(=O)n4cc(C)ccc4n3)c2Cl)cc1 9960794 ZVJNJJSCIVSSEU-UHFFFAOYSA-N 436.899 3.875 0 40 IHAB CCN(CC)CCCNC(=O)Nc1ccc(C)c(NC(=O)NCCCN(CC)CC)c1 10101258 ZTNSALFKUGYUQF-UHFFFAOYSA-N 434.629 3.702 0 40 IHAB CN(Cc1ccccc1F)C(=O)COC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 10886571 JFIIGHCYLNJXED-UHFFFAOYSA-N 439.462 3.845 0 40 IHAB CC[C@@H](Oc1ccccc1F)C(=O)N1CCC(c2nc(O)cc(-c3ccccn3)n2)CC1 12241596 HRIHLVLNRZWCOW-HXUWFJFHSA-N 436.487 3.947 0 40 IHAB C[C@H](OC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1nnc(-c2ccccc2)o1 12697320 FZBAEKNRTSIOFP-AWEZNQCLSA-N 447.538 3.503 0 40 IHAB CCN(Cc1ccc(Br)s1)C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1 12872194 AMJQNJJIDIOXLO-UHFFFAOYSA-N 440.754 3.866 0 40 IHAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1sc(-c2ccsc2)nc1C 12877128 ZEZQBBXLCKGVQM-UHFFFAOYSA-N 437.568 3.691 0 40 IHAB Cc1c(O)ccc2c(COC(=O)c3ccccc3SCC(=O)NC(C)C)cc(=O)oc12 13068903 GRCHNYCBFZWWJS-UHFFFAOYSA-N 441.505 3.781 0 40 IHAB CCOc1ccc2nc(SCC(=O)NC(=O)Nc3ccc4c(c3)OCCO4)sc2c1 13129855 GAVDOGOCFODQEV-UHFFFAOYSA-N 445.522 3.907 0 40 IHAB CCCCN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC1CCCCC1)c1ccncc1 13497117 UXNBFPHFGQXSOD-XMMPIXPASA-N 448.571 3.645 0 40 IHAB CSCC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)Nc1cccc2cccnc12 14242349 LJUKSFQKXBCOLX-YFIXDKARSA-N 441.578 3.885 0 40 IHAB O=C(c1cccc(Cl)c1)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 14604383 CJUAFPPFYQXHSW-UHFFFAOYSA-N 432.851 3.506 0 40 IHAB CCCn1c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)nc2ccccc21 15586715 KYYKOCGMVQQLTD-INIZCTEOSA-N 444.532 3.625 0 40 IHAB CN1CCN(C(=O)C[C@@H]2CCNC[C@@H]2Cc2cc(-c3ccc(C(C)(C)C)cc3)on2)CC1 15673737 SMXKTZQYJBEJJI-SFTDATJTSA-N 438.616 3.571 0 40 IHAB biogenic,in-vitro CC(=O)Nc1cc(NC(C)=O)c(C)c(C(=O)OCC(=O)c2ccc(Br)cc2)c1 16249863 HQJVPMPZEYSALZ-UHFFFAOYSA-N 447.285 3.714 0 40 IHAB Cc1ccc(-n2nnnc2-c2cnc(N3[C@H](C)COC[C@H]3C)nc2-c2cccs2)cc1 16311644 QRGFGBXLXHHYNY-HZPDHXFCSA-N 433.541 3.770 0 40 IHAB CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)NC3CCCC3)nc2O)cc1 17271338 IBCANPTYHBTHQM-UHFFFAOYSA-N 449.598 3.509 0 40 IHAB O=C(Cc1cccc(Cl)c1)Nc1ccc(S(=O)(=O)NCC(=O)c2ccccc2)cc1 18199930 ANWKGIDOZOBFSO-UHFFFAOYSA-N 442.924 3.682 0 40 IHAB COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)c1OC 18206243 PXSJQVJGJHFENU-XPNTWCBSSA-N 430.460 3.755 0 40 IHAB O=C(CSc1nncs1)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 18975457 YUXRQGRMAIDWMS-UHFFFAOYSA-N 425.583 3.591 0 40 IHAB COc1cccc(CC(=O)N[C@H](Cc2c[nH]c3ccccc23)c2cc(N(C)C)nc(C)n2)c1 19240870 JVAXCKBGZVZHMJ-HSZRJFAPSA-N 443.551 3.984 0 40 IHAB COc1cccc(CN2CCC[C@H](c3cc(C(=O)N4CCC(C)CC4)on3)C2)c1OC 19496755 AWQIEMHJCPZYPW-SFHVURJKSA-N 427.545 3.944 0 40 IHAB CCc1onc(C)c1C(=O)N1CCNC(=O)[C@@H](Cc2ccccc2-c2ccc(OC)cc2)C1 19521131 RFFSDRILMVXJIE-FQEVSTJZSA-N 447.535 3.652 0 40 IHAB CCn1cncc1C(=O)N1CC[C@](Cc2ccc(-c3ccsc3)cc2)(C(=O)N(C)C)C1 19578348 YTBXQIPVIWLRCG-XMMPIXPASA-N 436.581 3.795 0 40 IHAB COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCCN2C(=O)Cc2csc(C)n2)c1 19690142 LZFRLISTVDGXOB-HXUWFJFHSA-N 437.569 3.889 0 40 IHAB COC[C@H](C)NC(=O)CN1CCC(c2cc(Cc3ccc(Cl)cc3)cc(C)n2)CC1 19691820 BPZJWRZSRLYXQK-SFHVURJKSA-N 429.992 3.965 0 40 IHAB Cc1ccccc1CN1CCO[C@@H](c2c(C(=O)N3CCOCC3)sc3ncccc23)C1 19703241 YDKFDQIAQOHVRA-HXUWFJFHSA-N 437.565 3.651 0 40 IHAB Cc1nc([C@@H]2CCCN(Cc3ccccn3)C2)nc2c1CCCN2CCc1ccccn1 19752970 HDVDQUZEDMRYJS-OAQYLSRUSA-N 428.584 3.950 0 40 IHAB Cc1[nH]c2c(Cl)cccc2c(=O)c1CN1CCN(Cc2ccc3c(c2)OCO3)CC1 19793679 HETSDEMGRJZWSF-UHFFFAOYSA-N 425.916 3.536 0 40 IHAB Cc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCN2CCOCC2)cc1 20308233 JWJUOKZQQZNWDY-NRFANRHFSA-N 438.911 3.632 0 40 IHAB O=C(COC(=O)c1ccc(N2CCCC2=O)cc1)Nc1ccc(OC(F)F)c(Cl)c1 20990456 HNDQZSCSORQQCS-UHFFFAOYSA-N 438.814 3.864 0 40 IHAB COc1ccc(C(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1S(=O)(=O)N1CCCC1 22537824 WEKYZBCGPGCIFE-GOSISDBHSA-N 430.570 3.896 0 40 IHAB CCN(Cc1cccc(F)c1)C(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 23272894 XKUGSGVOGDEQEI-UHFFFAOYSA-N 432.561 3.982 0 40 IHAB CCc1ccc([C@H](NC(=O)C2CCN(S(=O)(=O)c3ccn(C)c3)CC2)C(C)C)cc1 24778059 KEHGGQXQYWUPKZ-JOCHJYFZSA-N 431.602 3.502 0 40 IHAB O=C(Cn1ccc(C(F)(F)F)n1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 27002009 VLZGQJAKAJATFU-UHFFFAOYSA-N 428.458 3.836 0 40 IHAB CC(=O)Nc1ccc(NC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1 27668953 DPPRKRCIXRSGBW-UHFFFAOYSA-N 444.329 3.898 0 40 IHAB CCCNC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccc(OC)c(OC)c3)ccc2s1 28208873 PSXIVXHEALNSTL-UHFFFAOYSA-N 448.566 3.883 0 40 IHAB COc1cc(CN(C(=O)CCn2ncc(=O)c3ccccc32)C2CC2)ccc1OC(F)F 32820262 ADUHAZUPYPCOQT-UHFFFAOYSA-N 443.450 3.588 0 40 IHAB Cc1nc(C)c(-c2nnc(SCC(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)o2)s1 32905938 LQXHQSFGQHTXHT-JTQLQIEISA-N 432.527 3.551 0 40 IHAB CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 32964068 IDIMPFVRYQYDDA-CQSZACIVSA-N 427.526 3.619 0 40 IHAB CN(C)c1ccc(NC(=O)c2cc(Br)ccc2I)cn1 40034434 UZBCNTCMFNMEDR-UHFFFAOYSA-N 446.086 3.767 0 40 IHAB COCc1nn2c(nnc3c(=O)n(Cc4ccc(Cl)cc4)ccc32)c1-c1ccccc1 40391141 QYWJROLDHWZCIE-UHFFFAOYSA-N 431.883 3.954 0 40 IHAB Cc1ccc2c(c1)N(Cc1ccccc1F)N=C(C(=O)N1CCCCCC1)S2(=O)=O 49402721 KNDSISBTRKPVTN-UHFFFAOYSA-N 429.517 3.644 0 40 IHAB C[C@H]1C[C@H](C(F)(F)F)n2nc(C(=O)OCC(=O)c3ccc(Br)cc3)cc2N1 51353938 BGNRPFRTLBYQIS-LKFCYVNXSA-N 446.223 3.993 0 40 IHAB Cc1cc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc(C)c(F)c3)c2=O)ccc1F 57494464 LIYMDFSGQBKAPP-UHFFFAOYSA-N 441.459 3.748 0 40 IHAB Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccco3)Cc3nnnn3Cc3ccco3)cc2c1 57643424 CCUKQYPWYFUNSR-UHFFFAOYSA-N 444.495 3.568 0 40 IHAB CCCC[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(c2cc(Cl)ccc2C)CC1 57670420 OGUBPMJTJBZRDL-PMACEKPBSA-N 433.000 3.867 0 40 IHAB C[C@@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccc(I)cc2)CC1=O 59000236 XVORCDLWUKIMGR-ZFWWWQNUSA-N 434.277 3.839 0 40 IHAB COC(=O)C1=C(c2ccc(Cl)cc2)Nc2ncnn2[C@H]1c1ccc(OC)c(OC)c1 59227934 FCPWJJWVXPQCIE-IBGZPJMESA-N 426.860 3.548 0 40 IHAB CC(=O)N(Cc1ccccc1)c1nc2ccccc2n(CC(=O)Nc2ccc(C)cc2)c1=O 64987705 BEZRMXXYTZCUTB-UHFFFAOYSA-N 440.503 3.897 0 40 IHAB O=C(CCCNC(=O)c1ccsc1)NCCCCc1nc(-c2cccnc2)cs1 72272004 DLVGFATYNAJBJJ-UHFFFAOYSA-N 428.583 3.916 0 40 IHAB Cc1ccc2oc(C(=O)N3CC=C(n4c(C)nc(=O)c5ccccc54)CC3)cc(=O)c2c1 72348234 CAXPEWNIMOOLAI-UHFFFAOYSA-N 427.460 3.507 0 40 IHAB CC(C)c1ccc(OCC(=O)Nc2cc(N3CCN(c4ccccc4)CC3)ncn2)cc1 77200536 JJKUQYXJHXCCSN-UHFFFAOYSA-N 431.540 3.944 0 40 IHAB Cc1csc([C@](O)(CC(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)C(F)(F)F)n1 84268109 CDNCBYVBOXVLNC-WMLDXEAASA-N 434.867 3.845 0 40 IHAB C[C@@H]1CN(C(=O)Cc2ccc(NC(=O)c3ccc(Br)o3)cc2)CC(C)(C)O1 84705700 WYDANFBJOUJGBJ-CYBMUJFWSA-N 435.318 3.863 0 40 IHAB CCOc1ccc(NCc2nnc(-c3ccc(F)cc3)o2)cc1S(=O)(=O)N1CCCC1 84810932 IMMNXTDDWVMUKF-UHFFFAOYSA-N 446.504 3.671 0 40 IHAB COc1ccc2c(c1)c(C(=O)CN1C=Cc3cc(OC)c(OC)cc3CC1=O)c(C)n2C 85877026 OEWDEKMRRRTKRG-UHFFFAOYSA-N 434.492 3.751 0 40 IHAB biogenic COc1ccc([C@@](C)(O)[C@H]2CCCN2S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 89904836 IFEVOXKDMXJQPQ-RTBURBONSA-N 429.460 3.775 0 40 IHAB CCCCN(CC)S(=O)(=O)c1ccc(C(=O)/N=c2/sc3cc(F)ccc3n2C)cc1 100861250 YZLCKQURNUUKKJ-XTQSDGFTSA-N 449.573 3.931 0 40 IHAB CCOc1cc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)ccc1O 101148235 QBRWSSZSUDHTHM-VJBWXMMDSA-N 448.450 3.981 0 40 IHAB CC(C)OC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC(C)C)[C@@H]1c1ccc(C(C)(C)C)cc1 101998706 UTHOPROUGTUCHE-IZZGNVEXSA-N 432.557 3.927 0 40 IHAB COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CSc1nc2ccccc2s1 206802079 AWMDUYGDMAUUFU-XJKSGUPXSA-N 446.525 3.749 0 40 IHAB COC(=O)c1sccc1S(=O)(=O)Nc1ccccc1-c1cn2cccc(C)c2n1 206910344 SXASHCNWIAOLHL-UHFFFAOYSA-N 427.507 3.959 0 40 IHAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 216301361 ZBOWUINTMPSYSM-AWEZNQCLSA-N 431.901 3.942 0 40 IHAB Cc1cccc(OCCNC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)c1 223502236 IKHRVYKCFGMTLP-UHFFFAOYSA-N 442.512 3.525 0 40 IHAB CN(c1ccc(Cl)c(C(=O)NCCOc2cccc3ccccc23)c1)S(C)(=O)=O 223568889 YAQFGOOOYPZMDR-UHFFFAOYSA-N 432.929 3.698 0 40 IHAB Cc1c(Cl)cccc1N(CC(=O)NCCOc1ccc2ccccc2c1)S(C)(=O)=O 223592863 ZVMDTDFUPPGMQF-UHFFFAOYSA-N 446.956 3.763 0 40 IHAB COC(=O)c1ccc(OC)c(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)c1 223929170 BLVOWAROCXNNNM-UHFFFAOYSA-N 440.477 3.535 0 40 IHAB Cc1ccc(C(=O)NCCCN2CCC[C@@H](C)C2)cc1N(C)S(=O)(=O)c1ccccc1 224301468 IXRXBQICDJJBFJ-LJQANCHMSA-N 443.613 3.672 0 40 IHAB COCCCNC(=S)Nc1nc(N2Cc3ccccc3C2)cc(N2CCC[C@@H](C)C2)n1 225901283 KFSLCYHFYNGHQV-QGZVFWFLSA-N 440.617 3.556 0 40 IHAB CC(=O)N[C@H](C(=O)N1CC[C@@H]2O[C@@H]3c4cc(Cl)ccc4OC(C)(C)[C@H]3C[C@@H]2C1)C(C)C 257201038 AFWVBGAXUWPWGK-WGMIIJIISA-N 448.991 3.966 0 40 IHAB Cc1cc(C)nc(Nc2cccc(C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)n2)n1 257275883 NRJNPCOHXAGGSA-UHFFFAOYSA-N 441.532 3.939 0 40 IHAB CCOc1ccc(CN2CCO[C@H](c3ccc(Nc4nc(C)cc(C)n4)cn3)C2)cc1CO 257284872 PERQONVWZNDDDT-DEOSSOPVSA-N 449.555 3.697 0 40 IHAB O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1CN(Cc3cccc(Cl)c3)C[C@H]1C2 306137096 QLKXLSXDFOISQZ-HZPDHXFCSA-N 425.895 3.627 0 40 IHAB CSc1ccc(S(=O)(=O)N2CCC(C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)cc1 408694555 JQULJMRLKDOOPL-UHFFFAOYSA-N 448.654 3.894 0 40 IHAB Cc1c(Cl)cccc1NC(=O)CSc1nnc([C@@H](C)NC(=O)c2ccccc2)n1C 409127800 RQAMJXOUBQSOTN-CQSZACIVSA-N 443.960 3.999 0 40 IHAB COc1cc(Br)c(CNC(=O)[C@H]2CCN(c3ccccc3F)C2)cc1OC 562112981 ACKDVAICHSFIAP-ZDUSSCGKSA-N 437.309 3.748 0 40 IHAB CC(=O)Nc1cc(C(=O)N2CCC[C@](O)(COc3cc(C)c(Cl)c(C)c3)CC2)ccn1 2037912770 ZZVFOTBABHBTBY-HSZRJFAPSA-N 445.947 3.746 0 40 IHAB CCOc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)C3CCCCC3)n2)cc1 797081 ITJAIHNTQZLCOO-UHFFFAOYSA-N 448.527 3.896 0 40 IHAB CCOc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=S)NCc3ccco3)cc2c1 879505 FYHRPNUJKRFXIZ-FQEVSTJZSA-N 441.553 3.576 0 40 IHAB COc1ccccc1NC(=S)N(CCN(C)C)Cc1cc2c(C)ccc(C)c2[nH]c1=O 880647 MSDLSDFVJTXDIH-UHFFFAOYSA-N 438.597 3.914 0 40 IHAB COc1ccc(Br)cc1/C=C1\N=C(c2cc(OC)c(OC)c(OC)c2)OC1=O 1515881 FVJMQWOILAGSSZ-ZSOIEALJSA-N 448.269 3.828 0 40 IHAB Cn1cc(Cl)c([C@H]2NN=C(SCC(=O)Nc3ccc(Cl)nc3Cl)S2)n1 2564905 WPFCMNPKQAROHV-LBPRGKRZSA-N 437.765 3.753 0 40 IHAB COC(=O)c1c(NC(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)sc(C)c1C 2646862 KBRCMLVNVKFWDS-UHFFFAOYSA-N 447.494 3.661 0 40 IHAB CCCCOc1ccc(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)cc1OCC 3280123 QZBYHZWKXFXQHX-UHFFFAOYSA-N 427.453 3.635 0 40 IHAB Cn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)NCc2ccc3c(c2)OCO3)c1=O 8844313 QQZFNDMVXBMPOH-UHFFFAOYSA-N 439.471 3.773 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)C2CCN(Cc3ccccc3)CC2)cc1 9062842 FODHDOFVGBQUHI-UHFFFAOYSA-N 429.586 3.568 0 40 IHAB O=C(c1cc(-c2ccc3c(c2)CCCC3)on1)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 9305259 HCPBPVGFTDYYTD-LJQANCHMSA-N 440.521 3.643 0 40 IHAB CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1nnc(NC(=O)c2ccc(OC)cc2)s1 9405052 UJBYGNRAKGVCCX-UHFFFAOYSA-N 446.554 3.631 0 40 IHAB O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1 9469641 KKPZGRXVKBVFSW-DEOSSOPVSA-N 431.511 3.516 0 40 IHAB Cc1nnnn1/C(=C\c1ccccc1)C(=O)O[C@@H](C)C(=O)Nc1cccc(Cl)c1Cl 9561693 UJVDQEDHCMHMMR-UEMWTREESA-N 446.294 3.857 0 40 IHAB CCN1CCN(c2c(S(=O)(=O)c3ccc(C)c(C)c3)cnc3ccc(OC)cc23)CC1 9969459 CHAXQTLYCGPKEV-UHFFFAOYSA-N 439.581 3.835 0 40 IHAB COc1ccc(-c2nc(COC(=O)c3cc(S(C)(=O)=O)ccc3C)cs2)cc1OC 10242574 LDKYKFUNKAPJLT-UHFFFAOYSA-N 447.534 3.896 0 40 IHAB Cc1ccc(C)c(N([C@@H](C)C(=O)Nc2ccc(Br)cc2F)S(C)(=O)=O)c1 10369823 WHDWQRPGGPRRGE-ZDUSSCGKSA-N 443.338 3.998 0 40 IHAB COc1ccc(N2C[C@H](NC(=O)Nc3nc4ccc(C)cc4s3)CC2=O)cc1OC 10585841 HYQLVLCBUGQZKH-CYBMUJFWSA-N 426.498 3.549 0 40 IHAB COC(=O)Nc1nc(CC(=O)N2CCN(c3cccc(Cl)c3Cl)CC2)cs1 11027370 QDJOEZZSHXOANQ-UHFFFAOYSA-N 429.329 3.520 0 40 IHAB CCn1c(SCC(=O)NCc2ccc(N3CCCC3=O)cc2)nnc1-c1ccc(C)cc1 12413672 GCOHKKIWUKJLLS-UHFFFAOYSA-N 449.580 3.809 0 40 IHAB Cn1ccnc1[C@H](NC(=O)c1ccccc1I)c1cccc(F)c1 12519882 RGSDUSLVCHOFMA-MRXNPFEDSA-N 435.240 3.683 0 40 IHAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)c1nn2cc(-c3ccccc3)nc2s1 12520801 HMEBNUPEWRAGPO-OAHLLOKOSA-N 446.536 3.658 0 40 IHAB CCCCOc1ccc(N(CC(=O)NCCc2ccccc2)C(=O)c2csnn2)cc1 12645070 GXAUEVOISKOJOH-UHFFFAOYSA-N 438.553 3.723 0 40 IHAB NS(=O)(=O)c1ccc(Br)c(C(=O)Nc2ccc3c(c2)-c2ccccc2C3)c1 12812921 AZGOYKHJWCGMJN-UHFFFAOYSA-N 443.322 3.920 0 40 IHAB CCCN(Cc1ccc(C)cc1)C(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 12908949 LZNSIMSGVGSXAM-WOJBJXKFSA-N 444.597 3.845 0 40 IHAB Cc1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3N2[C@H](C)C(=O)N2CCCCC2)c(C)c1 13018519 MUAPDGWQKXGUQU-XXBNENTESA-N 448.567 3.860 0 40 IHAB CCC[C@@H](c1nnnn1C(C)(C)C)N(CCCO)Cc1cc2c(C)ccc(C)c2[nH]c1=O 13499676 VVWPDQIOHCJTNA-FQEVSTJZSA-N 440.592 3.612 0 40 IHAB COc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cccc(C)c2C)C1 13517196 FPFCORQXACLGFN-OAHLLOKOSA-N 430.888 3.500 0 40 IHAB O=C(O[C@@H](O[C@H](C(=O)NCc1ccco1)c1ccncc1)c1ccncc1)c1ccco1 13564339 SONFAPRCDOYURT-NZQKXSOJSA-N 433.420 3.593 0 40 IHAB CC[C@H](C(=O)Nc1ccccc1C(=O)NC(C)(C)C)N(c1ccc(F)cc1)S(C)(=O)=O 13686506 YYQRWVPWSUXDOJ-LJQANCHMSA-N 449.548 3.537 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc(Br)c3)C2)cc1 14022800 PALULOFTRLCILJ-OAHLLOKOSA-N 437.359 3.797 0 40 IHAB C[C@@H](OC(=O)CNC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@H]1CCCc2ccccc21 15223452 OYOFDPDPDUNBEF-YJYMSZOUSA-N 449.334 3.849 0 40 IHAB C[C@@H](SC12CC3CC(CC(C3)C1)C2)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 18759526 NBHOSQHFOCXAKK-HYMXPIOVSA-N 448.654 3.610 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc(N(C)C)ncc2-c2ccncc2C)cc1 19211437 SESPYLDXODMNBT-NRFANRHFSA-N 437.569 3.747 0 40 IHAB O=C(c1cccs1)N1CCc2nc([C@H]3CCCN(CC4CCCCC4)C3)[nH]c(=O)c2C1 19342778 LCXMUTOTOIQKOV-SFHVURJKSA-N 440.613 3.790 0 40 IHAB O=C(c1ccccc1F)N1CCC[C@H](c2nc(N3CCOCC3)ncc2-c2ccncc2)C1 19347506 KIFQKTLYKMCDAX-IBGZPJMESA-N 447.514 3.534 0 40 IHAB O=C(NCc1ccc(-c2n[nH]cc2C(=O)N2CCOCC2)cc1)c1csc2ccccc12 19376133 JZUUKUNGMCSHTC-UHFFFAOYSA-N 446.532 3.694 0 40 IHAB CCNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)c2ccc(N)nc2)C1 19528608 OYBOAXFCABHXMY-RUZDIDTESA-N 448.592 3.994 0 40 IHAB CC(C)COc1ccccc1CN1CCO[C@@H](c2nc(N(C)C)ncc2-c2cncnc2)C1 19692946 MHEWCFQSVWIBSI-HSZRJFAPSA-N 448.571 3.608 0 40 IHAB Cc1ccc(CC(=O)N2CCO[C@H](c3ccc(-c4ccc(C(N)=O)cc4)cn3)C2)cc1C 19693499 DITQQLOKGVNFHP-DEOSSOPVSA-N 429.520 3.607 0 40 IHAB Cc1ccc(C2(C(=O)N(C)Cc3nc([C@@H]4CCCNC4)cc(N(C)C)n3)CCCC2)cc1 19709988 NSPYJBZOZIEXOO-HXUWFJFHSA-N 435.616 3.788 0 40 IHAB COc1ccc(-c2nc3nc4c(cn3n2)C(=O)C[C@H](c2ccc(OC)cc2OC)C4)cc1 19816929 IFCPGEZCUHTOMM-OAHLLOKOSA-N 430.464 3.730 0 40 IHAB C[C@H](C(=O)N1CCCCC1)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3ccncc3)[C@@H](C)[C@@H]2[C@H]1O 20467040 URVRORSZPYFGLD-PWPMMBIBSA-N 441.616 3.652 0 40 IHAB biogenic,in-vitro CC(C)[C@@H](NC(=O)CSc1nncn1Cc1ccco1)c1ccc2c(c1)OCCCO2 22197021 PRLXEGKOKXRHTH-OAQYLSRUSA-N 442.541 3.686 0 40 IHAB CCn1cc(C(=O)N2CCN(Cc3ccccc3)CC2)c(=O)c2cc(C(F)(F)F)ccc21 22236900 UQIZWTLOZJZCOR-UHFFFAOYSA-N 443.469 3.998 0 40 IHAB O=C(CN1CCN(Cc2ccc(Br)s2)CC1)NCc1cccc(Cl)c1 22917044 QLVYBOAELCJOPH-UHFFFAOYSA-N 442.810 3.598 0 40 IHAB S=c1[nH]c(-c2ccccc2Br)nn1CN1CCN(Cc2ccccn2)CC1 22924641 IZIRWBASFQGLHY-UHFFFAOYSA-N 445.390 3.540 0 40 IHAB COc1ccc(-c2nc(C(=O)NCC3(N4CCOCC4)CCCCC3)cs2)cc1OC 23865925 KDBXMEQXCOTVFS-UHFFFAOYSA-N 445.585 3.592 0 40 IHAB COc1ccc([C@H](CNC(=O)c2csc(-c3ccsc3)n2)N2CCOCC2)cc1 23935329 DDGHIAXNNVWOQU-IBGZPJMESA-N 429.567 3.684 0 40 IHAB COc1cccc(C(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H]2CCS(=O)(=O)C2)c1 27745986 HCYKQAJJVDOQBY-MRXNPFEDSA-N 428.337 3.832 0 40 IHAB O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)Oc1ccc(-c2ccccc2)cc1Cl 28248298 XJOWVZBHLGJJPS-UHFFFAOYSA-N 446.890 3.984 0 40 IHAB CCCCn1c(SCC2=C(C(=O)OCC)[C@H](c3ccco3)NC(=O)N2)nc(C)c1C 29627440 IFGFUPRSDJGFSP-SFHVURJKSA-N 432.546 3.856 0 40 IHAB CN1CCN(c2ccc(CNC(=O)N[C@@H](Cc3ccccc3)c3ccccc3)cn2)CC1 29733091 FJLRUUQIBLNWRG-DEOSSOPVSA-N 429.568 3.617 0 40 IHAB CN(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 30856561 VPNQEKLQSIDQMP-UHFFFAOYSA-N 434.867 3.783 0 40 IHAB COc1cccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(Cl)cc3Cl)CC2=O)c1 31517630 JKHPDLVXEHQMOP-LBPRGKRZSA-N 437.279 3.537 0 40 IHAB CC(=O)NCCc1ccc(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)o2)s1 31685518 NOFFWUFCQJEWFD-UHFFFAOYSA-N 426.523 3.933 0 40 IHAB O=C(C[C@@]12CSc3[nH]c(=O)sc3[C@@H]1c1ccccc1OC2=O)Nc1ccc(F)cc1 32594559 TWGACGTXPPZFJR-HRAATJIYSA-N 442.493 3.747 0 40 IHAB O=C(CCc1nnc2c(N3CCCCC3)nc3ccccc3n12)NCc1ccccc1F 33282499 GTGYPWCVFKKXSP-UHFFFAOYSA-N 432.503 3.656 0 40 IHAB COc1ccc2c(c1)c1nc(SCC(=O)Nc3ccc(C)cc3C)n(C)c(=O)c1n2C 33287732 SPVHTTYQANJYQG-UHFFFAOYSA-N 436.537 3.781 0 40 IHAB COc1cc(Br)c(C(=S)N2CCN(Cc3ccccc3)CC2)cc1OC 34687376 LLPIDFSCJVDRTO-UHFFFAOYSA-N 435.387 3.960 0 40 IHAB CCOC(=O)c1c(/C=C/c2ccc(OC(C)=O)c(OC(C)=O)c2)cccc1OC(C)=O 35973528 GFSCOGVFTGCLDX-PKNBQFBNSA-N 426.421 3.810 0 40 IHAB Cc1cccc2c(=O)n(CCC(=O)N[C@H](c3ccc4c(c3)OCCCO4)C(C)C)cnc12 36396481 NEGRVOIFHPXARI-QHCPKHFHSA-N 435.524 3.770 0 40 IHAB COc1ccc(Cn2c(=O)[nH]c3cc(-c4nc(-c5ccccc5C)no4)ccc3c2=O)cc1 38655318 VUQACMMNMIFZND-UHFFFAOYSA-N 440.459 3.772 0 40 IHAB CCc1ccc(NC(=O)c2cn(CC(=O)NC3CCCC3)c3nc(C)ccc3c2=O)cc1 49002166 CMGGCHASANTKRR-UHFFFAOYSA-N 432.524 3.578 0 40 IHAB COC(=O)C1=C(CN2CCC(Cc3ccccc3)CC2)NC(=O)N[C@@H]1c1cccc(F)c1 57415549 NEGPRLDWJLBYPF-HSZRJFAPSA-N 437.515 3.561 0 40 IHAB O=C(Cn1c(=O)n(Cc2ccccc2Cl)c(=O)c2sccc21)Nc1cccc(F)c1 57427934 JITWTWWXCNEMIO-UHFFFAOYSA-N 443.887 3.704 0 40 IHAB Cc1ccc([C@@H](C)NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2Cc2ccco2)cc1 67299678 KACVXZDHTSYXKQ-MRXNPFEDSA-N 436.537 3.952 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)CN1C(=O)C(c2ccccc2)=NC12CCCCC2 71327974 PQTNBOOOVWAKDC-UHFFFAOYSA-N 433.508 3.794 0 40 IHAB O=C(/C=C/c1ccc(C(F)(F)F)cc1)NCc1ccccc1OCCN1CCOCC1 78714266 JHVHVVMMZSSHFM-JXMROGBWSA-N 434.458 3.746 0 40 IHAB COc1ccc(/C=C/C(=O)N(C)Cc2ccc(C)cc2)cc1S(=O)(=O)N1CCCCC1 89632245 IXUCTWBVANHYSV-WYMLVPIESA-N 442.581 3.850 0 40 IHAB COC(=O)Cn1/c(=N/C(=O)/C=C/c2cccs2)sc2cc(Br)ccc21 100876391 AWSVXVFWIROOMC-SWCJLUBCSA-N 437.340 3.841 0 40 IHAB Cc1cccc(CN/C(Nc2ccccc2)=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)c1 101382511 MPVVCEIBTPPIKA-DQRAZIAOSA-N 444.466 3.830 0 40 IHAB Cc1cc(OCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc(C)c1Br 218834638 YVPHUTLSBCGAFR-UHFFFAOYSA-N 444.329 3.881 0 40 IHAB COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)Nc1cccc(OC(C)C)c1)=C2C 219190182 SCBQVITUBWPNIS-UHFFFAOYSA-N 446.525 3.640 0 40 IHAB Cc1ccc(OC[C@@H](C)NC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 219633398 HCCYTOZXMAJBSP-QGZVFWFLSA-N 438.977 3.778 0 40 IHAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1ccc(F)cc1 222493302 XQAQPJRFXHEQDX-VGOFRKELSA-N 430.520 3.935 0 40 IHAB CC[C@H](C(=O)Nc1cccc(C(C)=O)c1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O 222506358 VSWGEQDIIGLDRH-GOSISDBHSA-N 426.897 3.865 0 40 IHAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1C(=O)NC(C)C 222954010 QYXHWWZPLJQARI-MRXNPFEDSA-N 430.570 3.752 0 40 IHAB CCNC(=O)c1cc(S(=O)(=O)N[C@@H](CC)c2ccc3c(c2)CCCC3)ccc1OC 223080123 JDKNEDDIQRUYBZ-NRFANRHFSA-N 430.570 3.753 0 40 IHAB CC[C@@H](NC(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O)c1ccc(OC)c(C)c1 223306349 XHOWTDBOXFRSAN-OAQYLSRUSA-N 448.585 3.826 0 40 IHAB CN(c1cccc(C(=O)Nc2ccc(C(N)=O)cc2)c1)S(=O)(=O)c1ccc(Cl)cc1 224274250 ZFEDKQUYPXXTML-UHFFFAOYSA-N 443.912 3.516 0 40 IHAB COc1ccc2c(c1)CCC[C@H]2NS(=O)(=O)c1cc(Br)ccc1OC 224632323 TVGITQDVGISQNN-MRXNPFEDSA-N 426.332 3.822 0 40 IHAB Cc1ccc(OCCNC(=O)CCCN(c2c(C)cccc2C)S(C)(=O)=O)cc1C 224652981 SGVFOOHWPSCCIG-UHFFFAOYSA-N 432.586 3.662 0 40 IHAB CCOc1ccccc1N(CCCC(=O)NC(C)(C)Cc1ccccc1)S(C)(=O)=O 224682470 FGJRWKOECMVQQI-UHFFFAOYSA-N 432.586 3.769 0 40 IHAB CCN(c1ccc(I)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 224800175 MKTHFLLIMUSFLT-UHFFFAOYSA-N 447.294 3.524 0 40 IHAB O=C(Nc1ccc(OCCN2CCOCC2)cc1)C1(c2ccc(Cl)cc2)CCOCC1 225579679 PMSASKYMJUYHON-UHFFFAOYSA-N 444.959 3.738 0 40 IHAB O=C(Cn1cnc2ccccc21)N1CCC(N2CCC[C@@H]2COCc2ccccc2)CC1 225631183 XJEITTHDJFIAMS-HSZRJFAPSA-N 432.568 3.709 0 40 IHAB CC[C@@H](NC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O)c1ccc(OC)c(C)c1 225794290 KBYWWECTPBIDDN-GOSISDBHSA-N 438.977 3.999 0 40 IHAB COc1ccc(CCC(=O)N[C@@H]2CC[C@H]3OCCO[C@H]3C2)cc1OCc1ccccc1 252507455 WMFWCRYMTAXSPV-BKULYWANSA-N 425.525 3.660 0 40 IHAB COc1cc(C=c2sc3nc(-c4ccc(F)cc4)nn3c2=O)ccc1OCCC(C)C 254790657 HHYYBHAOLCKPGR-UHFFFAOYSA-N 439.512 3.938 0 40 IHAB COc1cccc(CN(CC(=O)O)C(=O)CCCn2c(C(F)(F)F)nc3ccccc32)c1 257219732 DHXSQMFTZLWFNF-UHFFFAOYSA-N 449.429 3.957 0 40 IHAB CN(C(=O)CCCn1c(C(F)(F)F)nc2ccccc21)[C@@H]1CCC[C@@H](n2ccnc2)[C@@H]1O 257249375 JHZCGSHNFNNMSQ-QWFCFKBJSA-N 449.477 3.645 0 40 IHAB Cc1ccc(-c2ccc(CCC(=O)O)n2NC(=O)C(=O)Nc2ccc(Cl)cc2)cc1 408563182 UQQHCGPPVRGOBH-UHFFFAOYSA-N 425.872 3.843 0 40 IHAB CCC[C@H](C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1OC 408624949 UUMGVOCGTJAWOS-INIZCTEOSA-N 438.977 3.844 0 40 IHAB Cc1cccc(N2C[C@H](C(=O)Nc3cccc(C(=O)Nn4c(C)ccc4C)c3)CC2=O)c1 408685975 QSINYYUVYHMORP-HXUWFJFHSA-N 430.508 3.789 0 40 IHAB COc1ccc(C)cc1NC(=O)C1CCN(S(=O)(=O)c2ccc(SC)cc2)CC1 408696089 ZWJUROKKHPSGFC-UHFFFAOYSA-N 434.583 3.765 0 40 IHAB CCCCNC(=O)CSc1nc2ccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)cc2s1 408978957 BDEBFTXXWHVXNB-GASCZTMLSA-N 431.583 3.984 0 40 IHAB Cc1cccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(F)cc3)[C@H]2c2ccc(Cl)cc2)c1 409073782 TUNJUACKVGHJOB-GWLUTCJNSA-O 436.894 3.804 0 40 IHAB CCn1c(CNC(=O)c2ccccc2)nnc1SCC(=O)Nc1ccc(Cl)cc1 409162054 CHVAGFNWBPVGMW-UHFFFAOYSA-N 429.933 3.612 0 40 IHAB CCn1c(COc2ccc(C)cc2OC)nnc1SCC(=O)Nc1cccc(OC)c1 409328965 BERHPGWPYWYNQL-UHFFFAOYSA-N 442.541 3.933 0 40 IHAB CCC(=O)N1CC[C@H](c2cc3nc(C)c(CCC(=O)N4C[C@H](C)C[C@@H](C)C4)c(C)n3n2)C1 409412897 HCKRMXYKBXGGGX-HLIPFELVSA-N 439.604 3.509 0 40 IHAB Cc1nc(-c2ccc(NC(=O)[C@H]3CCN(c4ccc(F)c(F)c4)C3=O)cc2Cl)n[nH]1 540512537 YMUBKJXRFQPYNI-CQSZACIVSA-N 431.830 3.703 0 40 IHAB CCCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cc5c(cc4C)n(C)c(=O)n5C)OCC[C@@]31C2 585261210 LKAQRKINSLQITE-AFGBUSBYSA-N 439.600 3.984 0 40 IHAB CCOC(=O)/C(=C/Nc1ccc(Br)cc1)S(=O)(=O)c1ccc(OC)cc1 1775971821 NUNGOGDXRQGUBX-ATVHPVEESA-N 440.315 3.748 0 40 IHAB CS(=O)(=O)N1CCc2cc(-c3csc(NC(=O)CCc4ccccc4)n3)ccc21 1365934 XTBJQBBYEQBMBE-UHFFFAOYSA-N 427.551 3.704 0 40 IHAB COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CC(C)C)CC(=O)N32)cc1OC 2107416 GELZNRNXZQLXCV-CPJSRVTESA-N 447.535 3.526 0 40 IHAB biogenic COc1ccccc1CNC(=O)COc1ccccc1C(=O)c1cnn(-c2ccccc2)c1 3606141 XQMZJUMRTASDJY-UHFFFAOYSA-N 441.487 3.807 0 40 IHAB Cn1c(=O)c2c(nc(Oc3ccccc3)n2Cc2c(Cl)cccc2Cl)n(C)c1=O 8595470 QZVSAQKNYPGFGC-UHFFFAOYSA-N 431.279 3.581 0 40 IHAB Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N3Cc4ccccc4C[C@@H]3C(N)=O)cc12 8726326 HPIOKCCKHTWCQF-LJQANCHMSA-N 434.496 3.587 0 40 IHAB COc1cc(OC)c2c(C)c(CC(=O)N[C@H](C)Cc3c[nH]c4ccccc34)c(=O)oc2c1 8879165 MPCJPYXJUFUADU-CQSZACIVSA-N 434.492 3.890 0 40 IHAB biogenic CCCn1c(C)cc(/C=C/C(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1C 8965640 CVAPLVMYUKUAQA-IZZDOVSWSA-N 447.576 3.590 0 40 IHAB COC(=O)COc1ccc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1OC 8984308 NBMDXVAGKVLLMO-ODLFYWEKSA-N 427.478 3.792 0 40 IHAB CC[C@H](C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N[C@@H](C)CCc1ccccc1 9410750 ZOCGGZZQBTWWMG-BSRJHKFKSA-N 436.556 3.707 0 40 IHAB COc1cc(C2=N/C(=C\c3ccc(F)c(Br)c3)C(=O)O2)cc(OC)c1OC 9507454 MLRDKXLFDLSGTL-AUWJEWJLSA-N 436.233 3.959 0 40 IHAB CCc1ccccc1OCC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OC 9507696 NMEMOGBEWWMPPJ-UHFFFAOYSA-N 446.569 3.840 0 40 IHAB Cc1ccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(C/C=C/c3ccccc3)c(=O)n2C)cc1 9518963 IHYMOLOMPSCXON-VQFGERMISA-N 441.535 3.706 0 40 IHAB C[C@H](Sc1nnc(S[C@@H](C)C(=O)NC2CCCC2)s1)C(=O)NC1CCCC1 9642636 URDAPOXQVLIYIK-RYUDHWBXSA-N 428.649 3.617 0 40 IHAB COc1cc(NC(=O)c2ccco2)c(C(=O)OCCOc2ccc(F)cc2)cc1OC 9873601 JWUBEEQPSCBRKP-UHFFFAOYSA-N 429.400 3.924 0 40 IHAB Cc1cccc(-n2c(SCc3nc(-c4ccsc4)no3)nnc2N2CCOCC2)c1 9913995 WYIBCASTUHYSPA-UHFFFAOYSA-N 440.554 3.816 0 40 IHAB COc1cc(-c2nc3c(c(=O)[nH]2)Cc2cc(Br)cc(OC)c2O3)ccc1O 9941362 HSLQIHPGCRQWND-UHFFFAOYSA-N 431.242 3.619 0 40 IHAB CC(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)N2CCN(c3ccccc3)CC2)cc1 10058918 ZLSYVPVMKWUJIL-UHFFFAOYSA-N 442.519 3.860 0 40 IHAB CC[C@@H](NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)c1ccc(C)cc1 11226140 PKSFEXYWATWJGJ-QGZVFWFLSA-N 446.477 3.935 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(C(=O)O[C@@H](C)C(=O)c2c[nH]c3ccccc23)ccc1F 11463580 NNOBNBHQYWVGEH-AWEZNQCLSA-N 446.500 3.766 0 40 IHAB COc1ccc(F)cc1S(=O)(=O)Nc1cccc(-c2csc3nc(C)cc(=O)n23)c1 11696309 RNEQUWFVIXNDOS-UHFFFAOYSA-N 445.497 3.680 0 40 IHAB CCOc1ccc(O[C@@H](C)C(=O)N2CCC(c3nc4ccccc4cc3C(N)=O)CC2)cc1 12254825 HGMYWQORBFGPAV-KRWDZBQOSA-N 447.535 3.906 0 40 IHAB CCOC(=O)c1c(NC(=O)Cc2cccc(OC)c2)sc2c1CCN(C(=O)OCC)C2 12277530 YUFVWYKLBVSSAP-UHFFFAOYSA-N 446.525 3.629 0 40 IHAB O=C(Nc1cccc(F)c1)c1cc2ccccc2o/c1=N\NS(=O)(=O)c1ccccc1 12437548 LTAZNQUPQVDQJA-LVWGJNHUSA-N 437.452 3.618 0 40 IHAB O=C(CNc1cc(Cl)ccc1N1CCCCC1)N1CCN(C(=O)c2cccs2)CC1 12526747 KSVQMMOXYUGCSS-UHFFFAOYSA-N 447.004 3.788 0 40 IHAB O=C(Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)c1ccc(F)c(F)c1 12605509 NGIZEVFIOQZSFB-UHFFFAOYSA-N 446.431 3.789 0 40 IHAB O=C(Nc1ccc(F)cc1)C(=O)N(C1CCCC1)[C@H](C(=O)NC1CCCC1)c1ccco1 12641516 PYDBYYNCDILSMR-NRFANRHFSA-N 441.503 3.929 0 40 IHAB CC[C@H](C)NC(=O)c1ccc(N2C(=O)N3CCc4c([nH]c5ccccc45)[C@@]3(C)C2=O)cc1 12662230 CPGAMVYAJYBYBY-MQNRADLISA-N 430.508 3.936 0 40 IHAB biogenic O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)C1C[C@@H]2CC[C@H](C1)C21SCCS1 12738150 RZYFVWIKZXKKRS-MQVJKMGUSA-N 438.640 3.778 0 40 IHAB COc1cccc(-c2nc(C(=O)Nn3cnc4sc(C)c(C)c4c3=O)cs2)c1OC 12777318 USIRBFDELXBUFI-UHFFFAOYSA-N 442.522 3.599 0 40 IHAB COc1ccc(NC(=O)[C@H](c2ccccc2)N2CCN(c3ncccn3)CC2)cc1Cl 12848932 BSYIHVGUTWVCFA-NRFANRHFSA-N 437.931 3.641 0 40 IHAB Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)N(C)Cc2ccc(Br)cc2)cc1 12855857 HDNZXOWQDLVJSR-MRXNPFEDSA-N 432.362 3.675 0 40 IHAB COc1ccc(CN2CCN(S(=O)(=O)c3cc(Cl)cc(Cl)c3)CC2)cc1OC 12897931 QWEKDOQMSKDPGY-UHFFFAOYSA-N 445.368 3.517 0 40 IHAB Cc1cc(-c2csc(NC(=O)c3cc(S(=O)(=O)N4CCCC4)c[nH]3)n2)c(C)s1 12930437 JMRKZYZBHKAIRK-UHFFFAOYSA-N 436.584 3.853 0 40 IHAB Cc1ccc(NC(=O)CSc2ccccc2C(=O)OCC(=O)Nc2cc(C)on2)cc1 13038203 HOPXEZHWJKSDQL-UHFFFAOYSA-N 439.493 3.818 0 40 IHAB O=C1NC2(CCCCCC2)C(=O)N1CC(=O)N1c2ccccc2OC[C@H]1c1ccccc1 13109966 BPMVXVGVXZGILK-FQEVSTJZSA-N 433.508 3.798 0 40 IHAB COC(=O)c1ccc2c(=O)[nH]c(COC(=O)C(c3ccccc3)c3ccccc3)nc2c1 13114614 IUTAECSAVOYBSW-UHFFFAOYSA-N 428.444 3.585 0 40 IHAB COc1ccc([C@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C3=C2C(=O)OC3)c(OC)c1OC 13567568 GSDVCWYKEALWPP-CYBMUJFWSA-N 447.846 3.836 0 40 IHAB COCc1nn2c3c(nnc2c1-c1ccc(OC)cc1)C(=O)C[C@@H](c1ccccc1OC)C3 13639428 DDHFYXYQWIAQOM-INIZCTEOSA-N 444.491 3.868 0 40 IHAB CN(CC(=O)N[C@H]1CCSc2ccc(Cl)cc21)S(=O)(=O)c1ccc(Cl)cc1 14198478 UICOFUVHAFJUHP-INIZCTEOSA-N 445.393 3.967 0 40 IHAB COc1ccccc1[C@@H](C)NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 14261098 MZEJNMNAZOUSMW-QGZVFWFLSA-N 442.512 3.907 0 40 IHAB COc1ccc(N2C(=O)CN(c3ccc(OC)cc3OC)C(=O)[C@H]2c2ccccc2)cc1 15412602 OBZVUSAMDXMMRO-XMMPIXPASA-N 432.476 3.834 0 40 IHAB CSc1nnc(C)c(=O)n1COC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 16047705 WYNIYEKIZVAIGK-UHFFFAOYSA-N 427.326 3.521 0 40 IHAB O=C(Cn1nnc2ccccc2c1=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1 16297923 HMJATFOEUZZXSF-UHFFFAOYSA-N 436.418 3.622 0 40 IHAB CC(C)(C)C(=O)N1CCc2cc(C(=O)CN3CCC(O)(c4ccccc4F)CC3)ccc21 19081589 CUTYRTYQNMLREQ-UHFFFAOYSA-N 438.543 3.927 0 40 IHAB Cc1cc2c(cc1C(=O)c1cccs1)N(CC(=O)N[C@H]1CCCC[C@@H]1C)C(=O)CO2 19124973 DGCWCJSLCSLHDZ-YOEHRIQHSA-N 426.538 3.708 0 40 IHAB CCC(=O)N1CCCc2cc([C@H](O)CN3CCN(c4ccc(F)cc4F)CC3)ccc21 19498892 UZVQEKFBVPYWAJ-HSZRJFAPSA-N 429.511 3.510 0 40 IHAB CCc1cc(C(F)(F)F)n2nc([C@H]3CCCCN3C(=O)Cn3nc(C)cc3C)cc2n1 19522206 CTPAMUQSIZUSFY-QGZVFWFLSA-N 434.466 3.878 0 40 IHAB COc1cc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4cccs4)n3)C2)cc2c1OCO2 19549959 JDCQTJIYCAMNMA-OAHLLOKOSA-N 425.510 3.615 0 40 IHAB COc1ccc(CN2CCC[C@@](Cc3ccccc3-c3cncnc3)(C(N)=O)C2)c(F)c1 19551747 LPVKYIOYCPAORX-VWLOTQADSA-N 434.515 3.602 0 40 IHAB COCCc1ncc(CN2CCC[C@@H]2c2nc(N(C)C)ncc2-c2cccc(F)c2)cn1 19689768 YFSDCCMFRAIZOB-OAQYLSRUSA-N 436.535 3.665 0 40 IHAB CC[C@H](C(=O)Nc1nnc(S(=O)(=O)N(CC)c2ccccc2)s1)c1ccccc1 20486650 NAKGYDKHEKIYOS-KRWDZBQOSA-N 430.555 3.886 0 40 IHAB COc1ccc(-c2csc(CN3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)n2)cc1 21687727 DLSBTGGOBBFUPO-UHFFFAOYSA-N 437.521 3.505 0 40 IHAB O=C(Nc1ccc(Cc2ccncc2)cc1)c1nc(-n2cnnc2)ccc1Br 21721258 DOJQFNQBSUVDRQ-UHFFFAOYSA-N 435.285 3.663 0 40 IHAB CC(C)CCNC(=O)COc1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1 22233254 KLVYMBVTYSZDQC-UHFFFAOYSA-N 438.977 3.847 0 40 IHAB COc1cc(CNC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)ccc1OC(C)C 22330123 ZAOGPZUVXWIWMB-UHFFFAOYSA-N 448.585 3.688 0 40 IHAB COC(=O)c1c(NC(=O)Cn2cnc3sc(C)c(C)c3c2=O)sc2c1CC[C@H](C)C2 22739177 GGLKHMWENUVPEC-JTQLQIEISA-N 445.566 3.686 0 40 IHAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN2CCN(C/C=C/c3ccccc3)CC2)c1 22799821 GMTZVTJMLSKZJT-ZYJSVEMRSA-N 449.595 3.698 0 40 IHAB O=C1c2ccccc2N[C@H](c2ccc(Br)s2)N1CCCN1CCOCC1 24099758 XDXLIJAMBYNUTK-SFHVURJKSA-N 436.375 3.799 0 40 IHAB CCOc1ccc(Br)cc1S(=O)(=O)Oc1ccc(-c2noc(C)n2)cc1 25874969 DGTCGANNGXTODG-UHFFFAOYSA-N 439.287 3.974 0 40 IHAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccc(=O)n(Cc2ccccc2Cl)c1 27335733 PAOHINXOAMFVOV-HXUWFJFHSA-N 425.916 3.710 0 40 IHAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(O)c(Br)c2)C1=O 32116397 AIMUVBSGLPMCIH-PKTIUJEHSA-N 434.695 3.796 0 40 IHAB Cc1oc(-c2cccs2)nc1CSc1nnc(N2CCOCC2)n1C[C@H]1CCCO1 32893564 YVZWNWHUPKTBDC-OAHLLOKOSA-N 447.586 3.611 0 40 IHAB CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)Cc1coc2cc(C)c(C)cc12 32999595 AEESKOKYBMRQCO-UHFFFAOYSA-N 449.507 3.895 0 40 IHAB Cc1ccc(NC(=O)COc2ccccc2F)cc1OCc1cc(=O)n2ccccc2n1 33268547 NPVNQYIINOCSFJ-UHFFFAOYSA-N 433.439 3.739 0 40 IHAB CCOc1cc([C@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@H](C)Nc3ncnn32)ccc1O 36701661 WBBMFNAKLGKZHU-NXXSPTCGSA-N 427.892 3.694 0 40 IHAB O=C(CSc1nc2ccccc2s1)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 38946513 BZJWQUOOALCTGW-ZWKOTPCHSA-N 437.590 3.863 0 40 IHAB Cc1cccc(CCCNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2)c1 44901319 JTNVSJKMKCROEL-UHFFFAOYSA-N 449.016 3.939 0 40 IHAB Cc1n[nH]cc1CNc1nc(CN2CCOCC2)nc2scc(-c3cccs3)c12 48344128 VJYMMIQVKJKNCK-UHFFFAOYSA-N 426.571 3.896 0 40 IHAB O=C(NCCCc1ccccc1)C1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1 61718335 NOQLHSAZQVIASP-UHFFFAOYSA-N 440.551 3.757 0 40 IHAB Cc1nn(C)c(C)c1C(=O)C(=O)Nc1sc2c(c1C(=O)c1ccco1)CC[C@@H](C)C2 71874126 PUFUAFICQANQBX-LLVKDONJSA-N 425.510 3.869 0 40 IHAB O=C(Nc1cccc(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c1)c1cccnc1 72277339 STQYFUPQPXCEPT-UHFFFAOYSA-N 434.540 3.589 0 40 IHAB c1cc(NCCCNc2nc(CN3CCOCC3)nc3sc4c(c23)CCCC4)ccn1 72278769 YTWGCORHWVZQAF-UHFFFAOYSA-N 438.601 3.711 0 40 IHAB CCCN1CCN(Cc2cccnc2N(C)C)[C@@H](Cc2cccc(-c3cccnc3)c2)C1=O 72351756 GCLLBMNKZDJVIX-VWLOTQADSA-N 443.595 3.875 0 40 IHAB O=C(CN1CCOCC1)N1CCC[C@@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 72358039 SEMCWDZVRJGWFG-OAQYLSRUSA-N 433.474 3.687 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cc(Nc3cnccn3)cc(C)n2)cc1C 72372678 RHLOSKLDFBGKHQ-HXUWFJFHSA-N 439.541 3.766 0 40 IHAB COC(=O)c1nc(NC(=O)C[C@H]2NC(=O)c3ccccc32)sc1CCc1ccccc1 72403871 OTPDCZCMNAWRLB-QGZVFWFLSA-N 435.505 3.528 0 40 IHAB COC(=O)c1cc(F)cc(I)c1NC(=O)c1ccnc(Cl)c1 78869299 MOLFCPSDYJLFCX-UHFFFAOYSA-N 434.592 3.518 0 40 IHAB O=C(NC1(c2noc([C@@H]3CCCO3)n2)CCCCCC1)c1cc2c([nH]c1=O)CCCCC2 89764858 XCIWKHAJFXTHFM-IBGZPJMESA-N 440.544 3.858 0 40 IHAB O=C(CN1CCN(c2ccccc2O)CC1)N1CCc2sccc2[C@H]1c1cccs1 95946816 PSHWJQOOJVKYEC-QHCPKHFHSA-N 439.606 3.812 0 40 IHAB COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@H]3N3CCCN23)cc1 100795706 HTXFPJPGGJPTLZ-QYZOEREBSA-N 432.307 3.538 0 40 IHAB CC1=C[C@H]2C[C@H]1[C@@H]1C(=O)N(c3cccc(C(=O)OCC(=O)c4ccc(F)cc4)c3)C(=O)[C@@H]12 102085380 KVQGEDZVHYSDTR-MQYXYMALSA-N 433.435 3.567 0 40 IHAB CCOC(=O)c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccco4)[C@H]3C2=O)cc1 102196916 RMZWPBIXXJEQBB-QHAWAJNXSA-N 432.432 3.507 0 40 IHAB Cc1csc2nc(CN3CCCC[C@@H]3[C@H]3CCCN3C(=O)OC(C)(C)C)cc(=O)n12 106172011 FTFLKOBZRCPQIJ-QZTJIDSGSA-N 432.590 3.818 0 40 IHAB CCOc1cccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)c1OCC(=O)O 106688866 BDFDAYMTECPUNB-YVLHZVERSA-N 431.441 3.924 0 40 IHAB CCC(C)(C)[C@@H]1CCc2nc3sc(C(=O)N4CCC(C(N)=O)CC4)c(N)c3cc2C1 215689245 PXAVDDHYJWDLFD-OAHLLOKOSA-N 428.602 3.757 0 40 IHAB COc1ccc(CN(C(=O)CCc2ccc3c(c2)OCO3)[C@H](C)C(=O)NC(C)(C)C)cc1 223090131 VJADSUDMWQDSPI-QGZVFWFLSA-N 440.540 3.689 0 40 IHAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2Cc2cccnc2)N1Cc1ccccn1 223529167 PPJQPYZLLKSKGO-XZOQPEGZSA-N 426.549 3.894 0 40 IHAB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)c1 225177680 HAUJOYLOVZIYPN-UHFFFAOYSA-N 440.930 3.885 0 40 IHAB Cc1nccn1-c1ccc(CNS(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)cc1 225712411 NYHCOIGWZRSEDJ-UHFFFAOYSA-N 442.566 3.617 0 40 IHAB CCOC[C@]1(N)[C@@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242701741 WNTNTYSCGPMVDM-KSZLIROESA-N 444.778 3.776 0 40 IHAB COC(=O)C[C@@H](c1ccncc1)c1c(O)cc(C)n(CCc2c[nH]c3ccccc23)c1=O 253397949 BTWIHGAFUIOEQO-FQEVSTJZSA-N 431.492 3.676 0 40 IHAB biogenic O=C(c1ccccc1Cn1ccnc1)N1CCC[C@]2(C[C@@H](Oc3ccc(F)cc3)CO2)C1 257205399 AYVSTCLUBRSCNT-RDGATRHJSA-N 435.499 3.913 0 40 IHAB CC(C)(NC(=O)COc1ccccc1)C(=O)N1CCC[C@H](Cc2ccc3cc[nH]c3n2)CC1 257280477 OLBBBZVCIGFQKL-IBGZPJMESA-N 448.567 3.708 0 40 IHAB COc1cccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2Cl)c1 408553497 ABFNBOWQWLHGBH-UHFFFAOYSA-N 438.933 3.541 0 40 IHAB O=C(CNC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)c(Cl)c1 408554949 VVFPCSDGSMLDGB-UHFFFAOYSA-N 435.094 3.994 0 40 IHAB Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3N3CCOCC3)C2=O)cc1 409211188 LBUAKVIKNNLPDG-XSFVSMFZSA-N 437.521 3.507 0 40 IHAB Cc1ccc(-n2cnnc2SCC(=O)N2CCN[C@@H](c3cccc(Cl)c3)C2)cc1C 513987336 LEXPAMKZXKNGMI-HXUWFJFHSA-N 441.988 3.803 0 40 IHAB CC(=O)N1CCC[C@@]1(Cc1ccccc1-c1ccccc1)C(=O)NCc1c(C)n[nH]c1C 2037834448 GDBFPLGISBKMLA-AREMUKBSSA-N 430.552 3.934 0 40 IHAB COc1ccc(NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)cc1OC 655122 GWRRSIATZQQWFG-UHFFFAOYSA-N 440.521 3.846 0 40 IHAB CCOC(=O)c1cccc(NC(=O)CSc2nnc(COc3cccc(C)c3)n2C)c1 894672 XIWWXGVWVMJHQN-UHFFFAOYSA-N 440.525 3.610 0 40 IHAB CSc1nnc2n(Cc3ccccc3)c(=O)c3c4c(sc3n12)CO[C@@H](C(C)C)C4 1243042 XHQGXJOJEASMNJ-OAHLLOKOSA-N 426.567 3.973 0 40 IHAB CN(CC(=O)Nc1nc(-c2ccc(F)cc2)cs1)S(=O)(=O)c1ccc(Cl)cc1 2631424 NNNCXHMWIPNPSW-UHFFFAOYSA-N 439.921 3.862 0 40 IHAB Cc1nonc1CSc1nc2ccccc2c(=O)n1CCCn1nc(C)c(Cl)c1C 2733758 YYRQEIZJWDISAG-UHFFFAOYSA-N 444.948 3.937 0 40 IHAB O=C(Cc1ccccc1)Nc1ccccc1C(=O)OCC(=O)c1ccc2c(c1)OCCO2 3178299 UDSHDTKQLYWPQP-UHFFFAOYSA-N 431.444 3.679 0 40 IHAB C[C@@H](OC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)C(=O)Nc1cccc(Cl)c1Cl 3279443 OEVPHVUWKBSUAI-LLVKDONJSA-N 446.290 3.834 0 40 IHAB COc1ccc(CCNC(=O)CCCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1OC 4690208 RJXHKPZOYSUCSI-UHFFFAOYSA-N 428.573 3.618 0 40 IHAB COc1cc([C@@H]2CC(=O)c3cnc(N4C[C@H](C)C[C@@H](C)C4)nc3C2)cc(OC)c1OC 4777186 GVWJAGGCRKUJBW-OAGGEKHMSA-N 425.529 3.897 0 40 IHAB CCOC(=O)c1sc(NC(=O)CN(CC(C)C)CC(C)C)c(C(=O)OCC)c1C 5214672 QJZZVSALRPWXQX-UHFFFAOYSA-N 426.579 3.962 0 40 IHAB COc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=S)NC3CCCCC3)cc2c1 6282521 ITIFWVVQJIDKBB-FQEVSTJZSA-N 429.586 3.725 0 40 IHAB COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccccc2)ccc1O 6576907 KGEQGIAXPBGPBH-FDFHNCONSA-N 434.423 3.591 0 40 IHAB C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O)c1ccc(-c2ccccc2)cc1 8634693 CFYFEYGDHLUKDW-HFJWLAOPSA-N 427.504 3.998 0 40 IHAB O=C(Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1)C1CCC1 8729288 PHIKMAIBINNGEI-UHFFFAOYSA-N 449.960 3.716 0 40 IHAB COc1ccc(CCC(=O)Nc2c3c(nn2-c2cccc(Cl)c2)CS(=O)(=O)C3)cc1 8910233 ABRCOGMJMCRUIA-UHFFFAOYSA-N 445.928 3.534 0 40 IHAB Cc1cccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(CCCc3ccccc3)c(=O)n2C)c1 9192850 UTIWPZCIGRHKPU-LJQANCHMSA-N 443.551 3.626 0 40 IHAB CCOc1ccc(NC(=O)[C@@H]2Sc3nnc(CC)n3N[C@@H]2c2ccc(OC)cc2)cc1 9197355 LKMNOGZVNQNSMB-WOJBJXKFSA-N 439.541 3.646 0 40 IHAB CCc1nnc2n1N[C@H](c1ccc(OC)c(Cl)c1)[C@@H](C(=O)Nc1ccccc1)S2 9239185 BAFYILCVGZJUAD-MSOLQXFVSA-N 429.933 3.900 0 40 IHAB COc1cc(/C=C/C(=O)OCC(=O)NCc2ccccc2Cl)ccc1OC(F)F 9247218 VPMRKQRGFSDFGP-VQHVLOKHSA-N 425.815 3.823 0 40 IHAB O=C(CSc1ccc2ccccc2c1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 9633186 DINCRJVFBJXICZ-UHFFFAOYSA-N 442.562 3.592 0 40 IHAB C[C@H](NC(=O)COC(=O)c1ncc(Cl)c(Cl)c1Cl)c1ccc2c(c1)OCO2 9644668 ICLDVQLDEKVWAO-QMMMGPOBSA-N 431.659 3.805 0 40 IHAB CCN(CC)CCCn1c2c(c(SCC(=O)Nc3ccc(C)cc3C)nc1=O)CCC2 9745958 CJNDNZCOFFPQEJ-UHFFFAOYSA-N 442.629 3.812 0 40 IHAB CC(C)(CC(=O)N1CCN(c2ccccc2F)CC1)CC(=O)N1CCc2ccccc2C1 9846843 WAWBCJOMCJPTQV-UHFFFAOYSA-N 437.559 3.866 0 40 IHAB Cc1ccc(C)c(NC(=O)CSc2nc(=O)n(Cc3cccnc3)c3c2CCCC3)c1 10186693 DLQOCAZBWUGWKN-UHFFFAOYSA-N 434.565 3.913 0 40 IHAB C[C@@H](C(=O)Nc1ccc(Cl)cc1F)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 11073848 XZKZNCDDTGTCIB-KBPBESRZSA-N 446.910 3.502 0 40 IHAB COc1ccc(NC(C)=O)cc1NC(=O)CCc1csc(NC(=O)c2cccs2)n1 11835248 ZBEJHALWUFDYBU-UHFFFAOYSA-N 444.538 3.995 0 40 IHAB O=C(N[C@H]1C[C@@]2(CCC(=O)N(Cc3ccccc3)CC2)Oc2ccccc21)c1cnccn1 12086490 PUODGUYPIWSJRA-LVXARBLLSA-N 442.519 3.682 0 40 IHAB Cc1ccc(N2C[C@@H](NC(=O)N3CCn4cccc4[C@@H]3c3ccccc3F)CC2=O)cc1 12361877 KWTOAWSCGSSQQM-UUOWRZLLSA-N 432.499 3.856 0 40 IHAB Cc1ccc(-c2nc3ccccc3c3nnc(SCC(=O)NC[C@@H]4CCCO4)n23)cc1 12462062 IVPJDOKMWPSRPH-KRWDZBQOSA-N 433.537 3.640 0 40 IHAB Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)Nc1ccc(N2CCN(C)CC2)cc1 12528656 VKMJOMMWQFYDLV-UHFFFAOYSA-N 434.588 3.952 0 40 IHAB Cn1c(=O)c2ccccc2n2c(COC(=O)c3ccccc3Nc3ccccc3)nnc12 12553289 FCIWCUFKKPSCHV-UHFFFAOYSA-N 425.448 3.682 0 40 IHAB CSc1nc2nc(C)c(CC(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)c(C)n2n1 12568229 AGBYAILIFHYLQA-UHFFFAOYSA-N 425.514 3.686 0 40 IHAB O=C(c1ccc(-n2cccc2)cc1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 12699738 ASNVWXGREHDCHD-UHFFFAOYSA-N 449.576 3.503 0 40 IHAB Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)c1C 12747185 KFQSYBBONUJLHZ-UHFFFAOYSA-N 428.554 3.644 0 40 IHAB Cc1ccc(/C=C/C(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)s1 12776069 RYBIXLMCIVBNPC-FNORWQNLSA-N 445.393 3.910 0 40 IHAB CC(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3[C@H](C)CCC[C@H]3C)cc2)c1 12798341 TZDRAJWMDHQOCU-HZPDHXFCSA-N 429.542 3.849 0 40 IHAB C[C@H]1CCCC[C@H]1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br 12928811 RHKKPHKSXAXHQV-SUMWQHHRSA-N 429.380 3.542 0 40 IHAB O=C(CSc1nc(-c2cccs2)n[nH]1)Nc1ccccc1C(=O)NCc1ccco1 12976014 AQSQGOPCGUVHOY-UHFFFAOYSA-N 439.522 3.787 0 40 IHAB COc1ccccc1-c1nn(CN(C)CC(=O)Nc2ccccc2Cl)c(=S)n1C 13071910 LBOWEMUQSRCTIU-UHFFFAOYSA-N 431.949 3.808 0 40 IHAB Cc1sc2nc(CN3CCOCC3)nc(Sc3nnc(-c4ccco4)o3)c2c1C 13163672 JSRWKBRUDNLPBV-UHFFFAOYSA-N 429.527 3.935 0 40 IHAB CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1OC 13676749 BOVNFJXJXWCMMD-UHFFFAOYSA-N 436.839 3.918 0 40 IHAB CCn1c(COc2ccc(OC)cc2)nnc1SCC(=O)N[C@@H](C)c1ccccc1 13845364 TZGGNZPNAJVQDB-INIZCTEOSA-N 426.542 3.855 0 40 IHAB COc1ccc2cc(CN(C)C(=O)CNC(=O)c3ccc(Br)o3)ccc2c1 14246324 LQPGFAXGMNZXHG-UHFFFAOYSA-N 431.286 3.592 0 40 IHAB O=C(Nc1ccc(F)cc1)c1sccc1S(=O)(=O)N1CCN(c2ccccc2)CC1 16846360 YLMLPIANLHYHAO-UHFFFAOYSA-N 445.541 3.650 0 40 IHAB COc1ccc(NC(=O)N(Cc2nnc3n2CCCCC3)c2ccc3c(c2)OCO3)cc1 16954136 CUPGBSUWAAKWOC-UHFFFAOYSA-N 435.484 3.981 0 40 IHAB COc1ccc(OC)c([C@H]2S[C@@H](C)C(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)c1 17197822 YJRHKCGDMIEMAF-NPMXOYFQSA-N 439.537 3.669 0 40 IHAB COc1ccc([C@@H]2[C@H]3C(=O)N(C(C)C)C(=O)[C@H]3ON2c2ccc(Cl)cc2)c(OC)c1 18033746 XHTNFIDJTKVFET-AQNXPRMDSA-N 430.888 3.612 0 40 IHAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 18160308 GBFNYTDCNGUPAK-MRXNPFEDSA-N 436.961 3.598 0 40 IHAB CC(=O)Nc1cc2ccccc2nc1C1CCN(C(=O)Cc2ccc3c(c2)OCO3)CC1 19022243 LHTBUMUXGXZABT-UHFFFAOYSA-N 431.492 3.871 0 40 IHAB Cc1cc(C)n2ncc(C(=O)N[C@@H](Cc3cc(O)nc(C(C)C)n3)c3ccccc3)c2n1 19116562 KAMAETYXUILNIW-FQEVSTJZSA-N 430.512 3.679 0 40 IHAB O=C(CC1CCCC1)N1CCC[C@H](c2nc3c(c(=O)[nH]2)CN(Cc2cccs2)CC3)C1 19343636 QRWYQWJEVAFDPW-SFHVURJKSA-N 440.613 3.676 0 40 IHAB CC(C)NC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CCN(C(=O)c2ccccn2)C1 19449410 VBFPWSLVNMPNKG-SANMLTNESA-N 428.536 3.743 0 40 IHAB Cc1nc(N(C)C)ncc1C(=O)N1CCC[C@H](c2cc(C(F)(F)F)c3c(C)noc3n2)C1 19552699 KHLYARMDYBWLKS-ZDUSSCGKSA-N 448.449 3.734 0 40 IHAB COc1ccc(-c2noc([C@H]3CN(C(=O)COc4ccc(Cl)c(C)c4)CCO3)n2)cc1 19570731 IJZGYTBIIOIECV-LJQANCHMSA-N 443.887 3.686 0 40 IHAB COc1ccccc1-c1noc(C)c1C(=O)NCc1cc(N(C)C)nc(-c2cccnc2)n1 19579686 FHOSAWNCRASBPZ-UHFFFAOYSA-N 444.495 3.507 0 40 IHAB Cc1nn(C)c2nc(C3CC3)cc(-c3nnc(S)n3-c3cnn(Cc4ccccc4)c3)c12 19636507 BVCRUCRMEFWHOU-UHFFFAOYSA-N 442.552 3.935 0 40 IHAB COCc1ccc(OC)c(CN2CCO[C@@H](c3c(C(N)=O)sc4ccccc34)C2)c1 19697612 TYLRYFHDBYESEM-LJQANCHMSA-N 426.538 3.729 0 40 IHAB O=C(CN1CCC([C@H]2CC=CCN(Cc3ccc(F)cc3)C2=O)CC1)NC1CCCCC1 19698368 PMLKGIXTQAMJOV-XMMPIXPASA-N 441.591 3.891 0 40 IHAB Cc1nc([C@H]2CCN(C(=O)CCCc3ccccn3)C2)ncc1C(=O)Nc1ccccc1F 19757946 LCFFXVCCKJSILU-SFHVURJKSA-N 447.514 3.910 0 40 IHAB Nc1nc(C2CCN(C(=O)CC[C@H]3CCCO3)CC2)ccc1C(=O)Nc1ccc(F)cc1 19765798 SWDQDFBYIRMHGT-LJQANCHMSA-N 440.519 3.720 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)Nc2cc(F)ccc2F)CC1 20017412 WLJWJJGGFHRKSZ-UHFFFAOYSA-N 444.887 3.666 0 40 IHAB Cc1ccc(SCCNC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)cc1 20458241 KLCPKZUORPGMJC-UHFFFAOYSA-N 432.611 3.833 0 40 IHAB COc1ccc([C@@H](C)NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCC(C)CC3)c2)cc1 20482729 KEKHPGPUGZPFDQ-QGZVFWFLSA-N 446.569 3.615 0 40 IHAB CC(C)CCNc1nnnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 20841864 ATUOUCTXGWKUKN-UHFFFAOYSA-N 442.589 3.780 0 40 IHAB Cc1ccc(-c2noc(-c3cn(CC(=O)NC4CCCC4)c4nc(C)ccc4c3=O)n2)cc1 21655341 BFGXMEXEDDHIGC-UHFFFAOYSA-N 443.507 3.789 0 40 IHAB CC(C)c1ccc(N(CC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)cc1 22330185 UQGOQMGGRJHOMS-FQEVSTJZSA-N 430.570 3.995 0 40 IHAB Cc1ccc(S(=O)(=O)c2nc(-c3cccc(C)c3)oc2NCCN2CCOCC2)cc1 23118483 MKCSVBPNPFZJSU-UHFFFAOYSA-N 441.553 3.535 0 40 IHAB CN1CCN(c2ccc(NC(=O)COc3ccc(Cl)cc3Br)cc2)CC1 23133802 FPLVIILXRTUJPM-UHFFFAOYSA-N 438.753 3.872 0 40 IHAB Cc1nc(CN2CCN(C(=O)c3ccc(OCc4cn5ccccc5n4)cc3)CC2)cs1 23460147 BFGIBOKAIOUXKE-UHFFFAOYSA-N 447.564 3.636 0 40 IHAB Cc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCCN2CCOCC2)cc1 24192924 WAFQKMKNCAEQGK-JOCHJYFZSA-N 436.483 3.508 0 40 IHAB COc1cc(Br)c(CC(=O)NCc2ccc(NC(=O)C3CC3)cc2)cc1OC 25678530 LUVGZWRVLHYUFK-UHFFFAOYSA-N 447.329 3.674 0 40 IHAB O=C(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)c1ccc(CN2C(=O)CNC2=O)cc1 29471991 RIDOVSTWKMJWSR-UHFFFAOYSA-N 448.862 3.842 0 40 IHAB CC(=O)Nc1nc(COC(=O)C2(S(=O)(=O)c3cc(C)ccc3C)CCCC2)cs1 29553466 DZVVQSKCXWSFOB-UHFFFAOYSA-N 436.555 3.548 0 40 IHAB CCOC(=O)Cc1nnc(SCc2nc(-c3ccc(C)cc3)no2)n1Cc1ccco1 29987495 MPUHFYIHEZJRGD-UHFFFAOYSA-N 439.497 3.676 0 40 IHAB CC(=O)Nc1ccc2nc(NC(=S)NC(=O)c3ccccc3Br)oc2c1 32127964 CBBBISOVFLEBQQ-UHFFFAOYSA-N 433.287 3.676 0 40 IHAB CCc1ccc(NC(=O)C[S@](=O)CC(=O)Nc2cc(C(F)(F)F)ccc2F)cc1 35311241 UBOWZBAVZFWULA-GDLZYMKVSA-N 430.423 3.733 0 40 IHAB COc1cccc(-c2cc(C(=O)N[C@H](Cn3cccn3)C(C)(C)C)c3c(C)nn(C)c3n2)c1 36616100 OACRDXOJKSNMBL-OAQYLSRUSA-N 446.555 3.994 0 40 IHAB COc1ccc(Cl)cc1N([C@H](C)C(=O)N[C@H](C)c1ccc(C)cc1C)S(C)(=O)=O 38772444 DVWAOGBGFXRXFG-HZPDHXFCSA-N 438.977 3.997 0 40 IHAB COc1ccc(OC)c2[nH]c(C(=O)NCCNC(=O)CCCc3c[nH]c4ccccc34)cc12 40312547 GGZIJYUXNREONQ-UHFFFAOYSA-N 448.523 3.535 0 40 IHAB biogenic COc1ccccc1N1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2ccccc2)CC1 40556275 BQVFWYRTEWTZGD-FIXSFTCYSA-N 447.579 3.817 0 40 IHAB COC(=O)Cn1c2c(sc1=O)[C@H](c1ccc(F)c(F)c1F)CC(=O)N2c1ccccc1 49544188 HHELVCKUXWQABY-ZDUSSCGKSA-N 448.422 3.700 0 40 IHAB Cc1cccc(C)c1NC(=O)Cn1c(=O)n(CCc2cccs2)c(=O)c2sccc21 57493906 JZOZIYPZBFOLLG-UHFFFAOYSA-N 439.562 3.784 0 40 IHAB CCc1cc(=O)n(CC(=O)Nc2ccccc2C(=O)OC)c(-c2cccc(Cl)c2)n1 57527553 MANBDYFZUSPPMU-UHFFFAOYSA-N 425.872 3.551 0 40 IHAB C[C@H]1CCCC[C@H]1OCCNC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 58156407 QKPPYXFWXSXZTH-MAUKXSAKSA-N 443.997 3.841 0 40 IHAB COC(=O)C1=C(c2ccc(Cl)cc2)Nc2ncnn2[C@H]1c1ccc(OC)cc1OC 59227938 OMZZEFBBSSHKBR-IBGZPJMESA-N 426.860 3.548 0 40 IHAB COc1cc(Cl)ccc1C(=O)N1CCN(CCCc2nc(-c3cccs3)no2)CC1 60136222 WNHQDAGFLYNPDB-UHFFFAOYSA-N 446.960 3.851 0 40 IHAB CCOc1ccc(Br)cc1S(=O)(=O)Nc1cc(C(=O)O)c(F)cc1F 65515875 PRYRRRKNYTVPQZ-UHFFFAOYSA-N 436.230 3.625 0 40 IHAB COC(=O)[C@H](CCSC)NC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 72325226 FWCYJKJWDHWXGS-SFHVURJKSA-N 425.506 3.793 0 40 IHAB biogenic COc1ccc(C(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@H]2c2ccccc2)cc1 95480727 BEXWLJHQHHUACB-RPWUZVMVSA-N 428.488 3.605 0 40 IHAB COc1cccc(NC(=O)c2nc3c(s2)CCN(C(=O)c2cccc(OC)c2)CC3)c1 96146890 YKRXTUWGEFBWBI-UHFFFAOYSA-N 437.521 3.654 0 40 IHAB Cc1ccccc1CNC[C@H]1O[C@H](Cc2cc(CN(C)Cc3ccccc3)on2)CC[C@@H]1O 96268991 UNXCHGXKTZMTEC-DOEKTCAHSA-N 449.595 3.856 0 40 IHAB biogenic,in-vitro CC(C)C(=O)N1CCCC[C@@H]1c1cc2nc3c(c(O)n2n1)CN(Cc1ccsc1)CC3 100233826 SDQCUUQFMSTEOY-HXUWFJFHSA-N 439.585 3.764 0 40 IHAB Cn1/c(=N\C(=O)[C@H]2Cc3ccccc3CN2C(=O)c2ccccc2)sc2ccccc21 104991379 OYHSKBWXCIPVJF-JMSHBIQUSA-N 427.529 3.934 0 40 IHAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OC(C)(C)C)c(Cl)c3)C2=O)o1 107703946 XNDQSMDMWGYNNI-GDNBJRDFSA-N 432.860 3.990 0 40 IHAB C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118912615 GHCZAUBVMUEKKP-CAFVUBMFSA-N 449.632 3.594 0 40 IHAB CCc1ccc(OCC(=O)NCc2cc(OC)c(OC)c(OC)c2)c(Br)c1 218866317 HPUBGMCJNUVCQY-UHFFFAOYSA-N 438.318 3.733 0 40 IHAB C[C@H]1Cc2ccccc2N1C(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 222718044 MOGHFXSKZUXUPT-SFHVURJKSA-N 448.544 3.795 0 40 IHAB Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)N1c2ccccc2C[C@H]1C 222781989 GESDHSOWNFBFOS-GOSISDBHSA-N 428.554 3.526 0 40 IHAB CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN1C(=O)c2cccc3cccc1c23 223037288 ARJFCVDCMIPYAO-NRFANRHFSA-N 429.520 3.662 0 40 IHAB CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)COc1ccc(OC)cc1 223675052 MOVRIEHXDRPPPR-JOCHJYFZSA-N 426.557 3.839 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCOc3ccccc3C(C)C)C2)cc1 223837019 ASYKGDLCVBBJLZ-HXUWFJFHSA-N 444.597 3.714 0 40 IHAB Cc1cc(C)c(S(=O)(=O)Nc2cnc(N3CCN(c4ccccc4)CC3)nc2)c(C)c1 224276568 QYOVBPREOJBSSP-UHFFFAOYSA-N 437.569 3.529 0 40 IHAB CSc1ccc(S(=O)(=O)Nc2ccc(N3CCCC3=O)cc2)cc1NC(=O)C(C)C 224559623 OJQWVIKBPBZDIP-UHFFFAOYSA-N 447.582 3.931 0 40 IHAB CCn1c(=O)sc2cc(NC(=O)CN(c3ccccc3C(C)C)S(C)(=O)=O)ccc21 225104423 ATFOPXMHMVWGNM-UHFFFAOYSA-N 447.582 3.611 0 40 IHAB CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCc1ccc2c(c1)OCCO2 225453136 GWHFBCTVHYYICU-UXHICEINSA-N 438.568 3.765 0 40 IHAB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc(Br)cc1 225469189 WUVJOTSCWHFVNW-MRXNPFEDSA-N 433.346 3.770 0 40 IHAB CSc1nnc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)s1 225565597 FNSVLGWXIKLDOL-UHFFFAOYSA-N 434.568 3.646 0 40 IHAB CC(C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1ccc(Br)cc1 225692654 VNKMRWSCAHMFOB-KRWDZBQOSA-N 447.373 3.812 0 40 IHAB Cc1nc2ccccn2c1-c1nnc2sc(CCN3CC[C@H](c4ccccc4)C3)nn12 227144112 DFYNBYDIPVXRRH-SFHVURJKSA-N 429.553 3.841 0 40 IHAB CCC[C@]1(C(=O)OCC)N[C@H](c2ccc(C)cc2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 231644822 ASKYGVKMRJNGRU-BILGYAHESA-N 434.536 3.856 0 40 IHAB CC1(C)Oc2c(O)cccc2[C@@H]2O[C@@H]3CCN(Cc4ccccc4OCC(=O)O)[C@@H]3C[C@H]21 257244771 IMROCMINRZZZOO-PGCKSFNISA-N 439.508 3.747 0 40 IHAB NC(=O)c1cccc(-c2cccc([C@H]3CN(C(=O)CCc4ccc(F)cc4)CCO3)n2)c1 257270261 MTLBQDYJVAIFEL-HSZRJFAPSA-N 433.483 3.519 0 40 IHAB Cc1n[nH]c(C)c1CNC(=O)[C@@]1(C)CCCN(C(=O)c2cc3c(Cl)cccc3[nH]2)C1 257290116 QBQHWMLIKPWPDR-QFIPXVFZSA-N 427.936 3.720 0 40 IHAB O=C(COc1ccc(S(=O)(=O)N2CCCCCC2)cc1)NCc1ccccc1Cl 408608691 RVJQIWYCUIZHRD-UHFFFAOYSA-N 436.961 3.600 0 40 IHAB COc1ccc(OC)c(NC(=O)COC(=O)CCCC(=O)Nc2cccc(Cl)c2)c1 408670347 ZMMXYMDYJDZVFH-UHFFFAOYSA-N 434.876 3.648 0 40 IHAB COc1ccc(Cl)cc1NC(=O)C1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 408972605 PPHAVKLRMPZWBK-UHFFFAOYSA-N 432.904 3.857 0 40 IHAB O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl)Nc1ccc(F)c(Cl)c1 409393785 YBUGHASZTAQDOY-UHFFFAOYSA-N 447.315 3.935 0 40 IHAB O=C(CNC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1)N1CCc2ccccc2C1 588205340 XJHFOJBMVFFSPA-RUZDIDTESA-N 425.532 3.929 0 40 IHAB CC(C)(C)c1nc2ccccc2n1C1CN(C(=O)CCc2ccc(S(C)(=O)=O)cc2)C1 1889274691 KPQLPNRTHYROMC-UHFFFAOYSA-N 439.581 3.753 0 40 IHAB COCCOC(=O)c1c(C)oc2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)cc12 2094685 UPMRAEFZJSUEAO-UHFFFAOYSA-N 444.436 3.789 0 40 IHAB biogenic COc1cc(C(=O)Nc2c(C(=O)O)[nH]c3ccc(Br)cc23)cc(OC)c1OC 2106913 PYAMLVXVVQQSFG-UHFFFAOYSA-N 449.257 3.907 0 40 IHAB biogenic CCOC(=O)Cc1csc(NC(=O)CSc2ncnc3sc4c(c23)CCCC4)n1 2606388 KZBIMBHUPFJNDT-UHFFFAOYSA-N 448.595 3.863 0 40 IHAB O=C(COC(=O)c1ccc(Cl)cc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 2627878 OJVJTHBVKQSOBW-UHFFFAOYSA-N 442.821 3.991 0 40 IHAB COc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)c(OC)c1 3606812 RKJNEQYVQKRXFS-UHFFFAOYSA-N 438.933 3.784 0 40 IHAB CCOC(=O)c1c(NC(=O)[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)sc(C)c1-c1ccc(F)cc1 4199818 URUDGDDQSSVEET-OHFALNGGSA-N 447.484 3.856 0 40 IHAB Cc1cc(C)c2cc(CN(CCN(C)C)C(=S)NCCc3ccccc3)c(=O)[nH]c2c1 6301323 NHEYCEDYCHGSIG-UHFFFAOYSA-N 436.625 3.626 0 40 IHAB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3nc(CCCO)nn32)cc1 8437226 UBDCFVNCTRZTLX-QHCPKHFHSA-N 447.539 3.838 0 40 IHAB COc1ccc(CCNC(=O)NC[C@H]2CN(c3ccc(Cl)c(Cl)c3)C(=O)O2)cc1 8839695 AXZDGOOMVXXITM-INIZCTEOSA-N 438.311 3.869 0 40 IHAB CC(=O)Nc1ccc(-c2csc(NC(=O)NS(=O)(=O)c3ccc(C)cc3)n2)cc1 8965481 ADEIUYAGPQNROX-UHFFFAOYSA-N 430.511 3.587 0 40 IHAB CCOc1ccc([C@H](NS(=O)(=O)c2ccc3c(c2)OCCO3)C(C)C)cc1OCC 8982821 UWVXGLIDFBBNIB-JOCHJYFZSA-N 435.542 3.931 0 40 IHAB CCc1ccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(Cc3ccccc3C)c(=O)n2C)cc1 9088978 UHTARVPODHZFJV-KRWDZBQOSA-N 443.551 3.604 0 40 IHAB CCCN1C(=O)C(C)(C)COc2cc(NS(=O)(=O)CCc3ccc(OC)cc3)ccc21 9167982 RUYTXBHHHWPRCA-UHFFFAOYSA-N 446.569 3.841 0 40 IHAB O=C(COc1ccccc1C(=O)NCc1ccccc1)Nc1ccc(N2CCCC2=O)cc1 9387937 NFWXMJAXABQSJX-UHFFFAOYSA-N 443.503 3.761 0 40 IHAB C[C@@H](Nc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 9411835 DOXZFYWANCGAOT-CQSZACIVSA-N 441.475 3.929 0 40 IHAB Cc1cc(Cl)ccc1OCC(=O)N(Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 9453651 WAKKXROSUXBBPS-QGZVFWFLSA-N 442.364 3.897 0 40 IHAB Cc1cccc(-c2nc3scc(CCNC(=O)C(=O)Nc4cc(C)ccc4C)n3n2)c1 9569093 KXJUQWLIJJHUKT-UHFFFAOYSA-N 433.537 3.680 0 40 IHAB CCOC(=O)c1c(NC(=O)COc2cccc3cccnc23)sc(C(=O)N(C)C)c1C 9587124 NSORGUZKYAONLA-UHFFFAOYSA-N 441.509 3.501 0 40 IHAB O=C(CCNS(=O)(=O)c1cccs1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 9670091 XWKPDDQRSZOHPN-UHFFFAOYSA-N 426.523 3.599 0 40 IHAB COc1ccc(NC(=O)COC(=O)c2ccc(-n3nc(C)c(Cl)c3C)cc2)c(OC)c1 9872603 UEPPTFTXRGRQJH-UHFFFAOYSA-N 443.887 3.955 0 40 IHAB CC(C)(C)c1ccc(C2=NC(C)(C)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)cc1 9969347 YXVBCHROPOVLEN-UHFFFAOYSA-N 435.524 3.761 0 40 IHAB CCCNS(=O)(=O)c1cc(C(=O)N[C@@H](C)CCc2ccccc2)ccc1N1CCCC1 10009937 JOCUVKJYQHXNRI-IBGZPJMESA-N 443.613 3.726 0 40 IHAB COc1cn(CC(=O)Nc2ccc(Cl)cc2)c(CSc2nnc(C)s2)cc1=O 10254775 NHKBCQLJFMFZAG-UHFFFAOYSA-N 436.946 3.601 0 40 IHAB COc1ccc2c(c1)CCCN2C(=O)C1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 10542387 KUINDPZUQXSMDA-UHFFFAOYSA-N 442.581 3.692 0 40 IHAB C[C@H](OC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)C(=O)N1c2ccccc2C[C@H]1C 11283931 MBKNQYWXITYGLH-SJORKVTESA-N 438.499 3.587 0 40 IHAB COc1cccc(CCNC(=O)[C@H]2C[C@@H]3CC[C@@]2(C)C[C@]32NC(=O)c3ccccc3N2)c1 12142472 KJXRPELNEPVHAC-UNKRFLAVSA-N 433.552 3.732 0 40 IHAB COc1ccc(OC)c(NC(=O)Cn2cc(OCc3ccc(F)cc3)c(=O)cc2C)c1 12230520 ZMSKCPKBVUGUSR-UHFFFAOYSA-N 426.444 3.531 0 40 IHAB COC(=O)C1=C(C)N(c2ccc(C)c(F)c2)C(=S)N[C@@H]1c1ccccc1C(=O)OC 12557859 IYZWLCKJKHYFRH-LJQANCHMSA-N 428.485 3.804 0 40 IHAB O=C(CNC(=O)c1ccc(F)cc1)NCc1ccc(-c2ccc(Br)cc2)o1 12819089 LKUCFYYKDDNSSA-UHFFFAOYSA-N 431.261 3.894 0 40 IHAB O=S(=O)(c1ccc(Br)s1)N1CCN(c2nc3ccccc3s2)CC1 12927866 OVRYPGRPCAQBGU-UHFFFAOYSA-N 444.401 3.631 0 40 IHAB O=C(CCc1ccc2c(c1)OCO2)Nc1ccnn1Cc1ccc(Br)cc1 13006254 XKEHWRVRDSOMOU-UHFFFAOYSA-N 428.286 3.994 0 40 IHAB O=c1/c(=C\c2ccccc2)n2c(-c3ccc(Br)cc3)nnc2n1-c1ccccc1 15304134 URCLIXNHRCLMKD-HMMYKYKNSA-N 443.304 3.857 0 40 IHAB COc1ccccc1CNC(=O)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O 15653247 ORAKSIKUPYZIEN-UHFFFAOYSA-N 447.944 3.760 0 40 IHAB COc1cccc2sc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3cccs3)nc12 16960779 OEBSTGMWTHINET-GFCCVEGCSA-N 437.568 3.548 0 40 IHAB O=C(COc1ccccc1F)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1 17191212 ALHRFMZYPLHMIM-UHFFFAOYSA-N 440.496 3.985 0 40 IHAB O=C(NCCSCc1ccccc1F)c1cccc(S(=O)(=O)N2CCCCC2)c1 17604086 KAVSUFDKHUJCPL-UHFFFAOYSA-N 436.574 3.664 0 40 IHAB Cc1ccc(OCCNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)cc1 18074968 MNUVRFALFRONMZ-UHFFFAOYSA-N 436.961 3.632 0 40 IHAB CN(C)CCN[C@H]1c2cc(-c3ccc(F)cc3)cnc2Sc2nc(-c3cccnc3)nn21 19582920 GWDLZTMYEQIDBB-OAQYLSRUSA-N 447.543 3.704 0 40 IHAB COc1ccc(CC(=O)N2CCC[C@@H](c3cc(N(C)C)nc(-c4ccncc4)n3)C2)cc1F 19584550 NWOMBJDTTGRNNA-LJQANCHMSA-N 449.530 3.701 0 40 IHAB CCCc1cc(C(=O)N2CCO[C@@H](c3nc(N(C)C)ncc3-c3cccc(F)c3)C2)no1 19692674 RWAKQPCMKVBZRT-HXUWFJFHSA-N 439.491 3.503 0 40 IHAB CCn1ccc(C(=O)N2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccc(OC)cc2)n1 19694628 BBRRGBZTGPKDOT-NRFANRHFSA-N 434.544 3.802 0 40 IHAB CN(C[C@H]1COc2ccccc2O1)C(=O)CC1CCN(C(=O)CC2CCCCC2)CC1 19748737 PRZXPXQATRFIEK-NRFANRHFSA-N 428.573 3.884 0 40 IHAB Cc1cc2cc(C(=O)N3CCCC[C@@H]3c3ncc(C(=O)N4CCOCC4)c(C)n3)ccc2o1 19765659 IHIXIZCBMXTHJO-OAQYLSRUSA-N 448.523 3.679 0 40 IHAB COc1ccc(C)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 19860836 AXKLXASQBUJHGA-QGZVFWFLSA-N 436.961 3.838 0 40 IHAB Cc1cc(CSc2ccccc2)ccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 20450616 WDNOGUYVCAQUSJ-LJQANCHMSA-N 447.626 3.744 0 40 IHAB COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccccc1Cl 20722476 VPPKLSZRKSVNNW-PZJWPPBQSA-N 438.915 3.505 0 40 IHAB COC(=O)c1c(-c2cccs2)csc1NC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 21785475 FHEXZFRRSBUYSE-LLVKDONJSA-N 440.502 3.886 0 40 IHAB CCc1c(C(=O)N2CCC(c3nc4ccccc4s3)CC2)cnn1-c1ccc(OC)nn1 24542187 DIAZOLRTPLCDJB-UHFFFAOYSA-N 448.552 3.863 0 40 IHAB COc1ccc(C(=O)Nc2nnc(S(=O)(=O)Cc3cccc(C)c3)s2)cc1Cl 27742615 RJQZAQLUGTZPHB-UHFFFAOYSA-N 437.930 3.735 0 40 IHAB Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)c1C 29763601 VLHLLVRELGHIBO-UGKGYDQZSA-N 442.943 3.907 0 40 IHAB Cc1cc(N2CCCC2)ccc1NC(=O)c1ccccc1SC[C@@]1(C)NC(=O)NC1=O 32820586 JGWDIKSFKXHBHK-HSZRJFAPSA-N 438.553 3.538 0 40 IHAB O=C(C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)N[C@H]1CCN(Cc2ccccc2)C1 32903053 OVGXDICKOMWASK-QFBILLFUSA-N 449.498 3.899 0 40 IHAB CCN1c2ccccc2-c2nc(SCC(=O)Nc3ccc(F)cc3)ncc2S1(=O)=O 33039614 XESYCUWHOXEQNC-UHFFFAOYSA-N 444.513 3.542 0 40 IHAB O=C(CSc1ncnc2c1[nH]c1ccc(F)cc12)N1CCN(c2ccccc2F)CC1 33172683 BWTRLIUCGMZXKG-UHFFFAOYSA-N 439.491 3.830 0 40 IHAB CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1cc(OC)cc(OC)c1 33438485 POLSVQIQIBPYHQ-UHFFFAOYSA-N 428.514 3.722 0 40 IHAB Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)NCc1nnc2ccccn12 40119054 VROASTUQUYMYSJ-UHFFFAOYSA-N 425.901 3.935 0 40 IHAB Cc1cccc(C)c1NC(=O)CCCS(=O)(=O)[C@H](C(=O)N1CCCC1)c1ccccc1 40121901 HBRXAFHXKKKUBH-QHCPKHFHSA-N 442.581 3.801 0 40 IHAB Cc1ccc(Cn2c(=O)c3ccccc3n(CC(=O)Nc3cccc(C)c3C)c2=O)cc1 40478482 XDGNDPJAMYZATD-UHFFFAOYSA-N 427.504 3.775 0 40 IHAB Cc1cc(OCC(=O)Nc2ccc(Br)cc2F)nc(N2CCC(C)CC2)n1 44169214 ZXDUQFBBHKIMBO-UHFFFAOYSA-N 437.313 3.940 0 40 IHAB C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 44946333 KKRYKEYDTQHCKJ-INIZCTEOSA-N 448.504 3.837 0 40 IHAB O=C(Cn1nc2c(-c3nc(-c4ccc(Cl)cc4)no3)cccn2c1=O)Nc1ccccc1 57503363 UJDKSBVHCBHZMT-UHFFFAOYSA-N 446.854 3.505 0 40 IHAB Cc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2ccc3c(c2)OCO3)cc1 67245071 RFEMDSWFOAJBBR-UHFFFAOYSA-N 430.507 3.863 0 40 IHAB COc1cc(CC(=O)N2CCC[C@H](c3ncncc3-c3ccncc3)C2)cc(OC)c1OC 72334698 OSZHFFSTJWAHNZ-IBGZPJMESA-N 448.523 3.513 0 40 IHAB Cc1cccc(-c2ccccc2C[C@@H]2C(=O)NCCN2C(=O)CCCc2ccccn2)c1 72351615 LTHZNVMDNXXDDN-RUZDIDTESA-N 427.548 3.949 0 40 IHAB COc1ccccc1CC(=O)N(C)[C@@H]1CCCC[C@H]1N(C)C(=O)Cc1ccccc1OC 89334943 QMCZCNXGXWOQOK-FGZHOGPDSA-N 438.568 3.717 0 40 IHAB O=C(Cc1ccc(Br)cc1)Nc1cc(OCc2ccc3c(c2)OCO3)ncn1 90593570 VHVFZXNTWHUUQX-UHFFFAOYSA-N 442.269 3.728 0 40 IHAB COc1cccc(CNC(=O)c2nc3c(s2)CCN(C(=O)Nc2ccccc2)CC3)c1 96264746 NVKZCEBYZSMFEC-UHFFFAOYSA-N 436.537 3.714 0 40 IHAB C[C@@H]1C/C(=C/c2ccco2)c2nc3ccccc3c(C(=O)N[C@@H]3CCS(=O)(=O)C3)c2C1 96920828 DBJABFSNJWJQGM-ZRPBFWNPSA-N 436.533 3.868 0 40 IHAB Cc1cccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@@H](O)[C@@H]43)C[C@H]2C)c1 105372143 XZCQJZYHYNIVDU-CMPNRMHDSA-N 438.612 3.791 0 40 IHAB biogenic Cc1ccc(N(CCCC(=O)NCc2cccc(OC(C)C)c2)S(C)(=O)=O)cc1C 113939919 YKGGILPMNOWFDW-UHFFFAOYSA-N 432.586 3.953 0 40 IHAB COC[C@@]1(C(N)=S)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 218624656 OXOAOMWXKDCWAE-BQFCYCMXSA-N 430.378 3.852 0 40 IHAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)c1 220369474 NVESLZCSCIGDRH-CQSZACIVSA-N 438.933 3.618 0 40 IHAB Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)N(C)Cc2ccccc2F)cc1 222682621 DZJBNSJEGRBALP-UHFFFAOYSA-N 442.512 3.972 0 40 IHAB CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccc(C)c(C)c1 223017410 ZIPNQYYWCULGOF-KRWDZBQOSA-N 447.373 3.998 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)Cc2ncc(C(=O)Nc3ccc(Cl)cc3)cn2)cc1 223382642 NSAGIMQVKNOKPZ-UHFFFAOYSA-N 430.917 3.511 0 40 IHAB Cc1ccc(-c2nnc(NC(=O)CN(c3cccc(C)c3C)S(C)(=O)=O)s2)cc1 224144379 DEDBKKFCCZCMMT-UHFFFAOYSA-N 430.555 3.535 0 40 IHAB Cc1ccc(OCCNC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)cc1Cl 224150575 QHTHFRFKTBMWAR-UHFFFAOYSA-N 442.940 3.529 0 40 IHAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1 224545262 QCKOABQSFRUPEI-UHFFFAOYSA-N 446.550 3.746 0 40 IHAB CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CSCc1ccc(OC)cc1 224596368 OIFWMRIANWSHAZ-QFIPXVFZSA-N 428.598 3.914 0 40 IHAB COC(=O)CN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc(F)cc1 224915660 KARSBVHPRJIOBH-UHFFFAOYSA-N 429.469 3.773 0 40 IHAB CC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1ccc(OC)c(C)c1 225056095 GEZIIJNOZDQICE-GOSISDBHSA-N 436.599 3.733 0 40 IHAB O=C1CC2(CCN(C(=O)c3ccc4c(c3)OCO4)CC2)Oc2ccc(Br)cc21 225822984 HGLYPBBRYYQGBN-UHFFFAOYSA-N 444.281 3.818 0 40 IHAB CCc1cc(Br)cc(C)c1NC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 226061412 DEXJVCPOIJIBBN-UHFFFAOYSA-N 439.375 3.888 0 40 IHAB CC(C)[C@]1(O)O[C@](O)(c2ccc(F)cc2)[C@]2(c3ccccc3)O[C@]12C(=O)Nc1ccccc1 256075611 NNEBPPHOMFPLDK-KEVKATSASA-N 449.478 3.649 0 40 IHAB in-vitro CCc1ccc(CN2CCC(c3nnc([C@H]4CCCCN4S(=O)(=O)CC)o3)CC2)cc1 257247351 IYPCGYJYEDDURV-OAQYLSRUSA-N 446.617 3.888 0 40 IHAB Cc1cc(Cc2ccccc2F)cc([C@H]2CN(C(=O)c3cc(C)nc4ccnn34)CCO2)n1 257258921 KWCGOVAZKGOQJB-HSZRJFAPSA-N 445.498 3.685 0 40 IHAB CCN(CC)C(=O)Cc1c(C)nc([C@H]2CCCN(C(=O)Cc3cccc(C)c3)C2)nc1C 257282777 OVFWHMWRWQIVMV-QFIPXVFZSA-N 436.600 3.761 0 40 IHAB Cc1ccccc1OC[C@@H](C)NC(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O 260507887 OWQLKTLADXRYPB-LJQANCHMSA-N 432.586 3.742 0 40 IHAB CCc1ccc(NC(=O)COC(=O)CCS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 408646541 PVSCXBYXSCDTKB-UHFFFAOYSA-N 444.336 3.902 0 40 IHAB COc1ccc(Cl)cc1N1C[C@H](C(=O)OCC(=O)Nc2c(C)cccc2C)CC1=O 408646556 PXRWJODUUYEDDM-OAHLLOKOSA-N 430.888 3.500 0 40 IHAB C[C@@H](c1ccccc1)N1C[C@H](C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)CC1=O 408656717 OCEPFOQVFUGDGZ-GOEBONIOSA-N 434.414 3.797 0 40 IHAB COc1cc(Cl)c(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@@H]3C)C2=O)cc1OC 409214943 YTWGKQSJVMRJFX-CHROMADKSA-N 438.933 3.795 0 40 IHAB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccn3-c3ccc(O)cc3)C2=O)cc1 409229325 NIFRDGFPIUXZDS-DEDYPNTBSA-N 449.488 3.867 0 40 IHAB CCC[C@@H](C)NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 409266266 QEEGPDSEQNTWJX-OAHLLOKOSA-N 439.375 3.949 0 40 IHAB COc1ccc(NC(SCc2ccccc2Cl)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 409375650 NNEUBGKDOKAUDX-UHFFFAOYSA-N 445.928 3.956 0 40 IHAB C[C@@H](NC(=O)c1cccc(NC(=O)c2ccc3nc[nH]c3c2)c1)c1nnc2n1CCCCC2 518627878 PDJDNZIVEIVKCK-OAHLLOKOSA-N 443.511 3.624 0 40 IHAB O=C(c1ccccc1)N1CC2(CCN(C(=O)C3(F)CCC3)CC2)C[C@H]1COCC1CC1 585103672 MXHDEEFNPAHEPV-NRFANRHFSA-N 428.548 3.829 0 40 IHAB CCC[C@H](C)N1C[C@H]2C(=O)NC3(CCN(C(=O)C4(c5cccc(Cl)c5)CC4)CC3)[C@H]2C1 585106190 BBGGTJXRWWGQIP-WMQCIHAUSA-N 444.019 3.599 0 40 IHAB OC1(COc2ccccc2F)CCN(Cc2cccc(OCCn3ccnc3)c2)CC1 585272044 KYLDVVYKHSGBDM-UHFFFAOYSA-N 425.504 3.507 0 40 IHAB Cc1cccc(NC(=O)Nc2cccc(CNS(=O)(=O)c3cccc4nonc34)c2)c1 1185644002 ANLRVUBTXVHHKQ-UHFFFAOYSA-N 437.481 3.654 0 40 IHAB COc1c2c(c(Br)c3c1[C@H](CC(=O)N1CCCCCC1)N(C)CC3)OCO2 1547138632 DIGYRENXQAEKPS-AWEZNQCLSA-N 439.350 3.508 0 40 IHAB biogenic COC(=O)c1cn(Cc2ccccc2OC)c(=O)c2cnc3c(-c4ccccc4)cnn3c12 1548338244 PNDZCEGABCLRIL-UHFFFAOYSA-N 440.459 3.555 0 40 IHAB COc1ccccc1-n1c(SCC(=O)NCc2ccccc2)nnc1-c1cccnc1 933443 ZWMMNLIZOBYMIT-UHFFFAOYSA-N 431.521 3.746 0 40 IHAB O=C(CNC(=O)OCc1ccccc1)Oc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 941338 WMBBCGGGMLADNU-UHFFFAOYSA-N 445.427 3.997 0 40 IHAB biogenic CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)c1nnc(S(=O)(=O)Cc2ccccc2)o1 2227280 SZGZLAHRMIFTES-SFHVURJKSA-N 443.525 3.852 0 40 IHAB aggregator CCOC(=O)c1ccc(-n2c(N)c(C(=O)N[C@H](C)CC)c3nc4ccccc4nc32)cc1 2374349 ZWVQZNRXYWNFSL-CQSZACIVSA-N 431.496 3.861 0 40 IHAB COc1ccc(NC(C)=O)cc1NC(=O)CSc1ncnc2c1cnn2-c1ccccc1 2441271 AUQLWMHLSAJIPP-UHFFFAOYSA-N 448.508 3.513 0 40 IHAB CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(F)cc3)o2)cc1 2494146 FNCMJEIBUWTVAM-UHFFFAOYSA-N 446.504 3.939 0 40 IHAB CCc1nnc(NC(=O)C[C@@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)s1 3626861 DBELNUGSNLCSDJ-KRWDZBQOSA-N 444.582 3.534 0 40 IHAB O=S(=O)(c1ccccc1)c1nnn2c1nc(NCc1ccc(F)cc1)c1sccc12 8589515 RGVLGMALJYCMFT-UHFFFAOYSA-N 439.497 3.923 0 40 IHAB COCCCNS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(F)c1 8810499 PDQMEJPTADIQNB-UHFFFAOYSA-N 435.304 3.700 0 40 IHAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccc(N3CCCCC3)cc2)C1=O 8891685 VSULVROZGVVJBH-XMMPIXPASA-N 438.503 3.612 0 40 IHAB COc1ccc(NC(=O)CN2CC[C@@]3(O)CCCC[C@H]3[C@@H]2c2ccc(O)c(OC)c2)cc1 8917975 SNTJTEVKGUJQCL-OPXMRZJTSA-N 440.540 3.716 0 40 IHAB biogenic COc1ccc([C@@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)c2ccccc2)cc1 8935677 INAVBOBNVMFKSI-QHCPKHFHSA-N 425.506 3.924 0 40 IHAB CN(c1cccc(NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)c1)S(C)(=O)=O 9063320 UXGJPLHKGPQMAR-UHFFFAOYSA-N 435.977 3.587 0 40 IHAB CCOC(=O)c1ccoc1COC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 9135864 VPUYOQODWAGQGX-UHFFFAOYSA-N 432.432 3.572 0 40 IHAB Cc1cccc(NC(=O)COC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)c1C 9136216 PRQHCYBIKYCYOF-UHFFFAOYSA-N 441.487 3.857 0 40 IHAB CCN(CC)CCCNC(=O)CN1C(=O)c2ccccc2[C@H]1c1c(C)[nH]c2ccccc12 9226963 SELGGXLBTWGHFD-VWLOTQADSA-N 432.568 3.870 0 40 IHAB CCCCc1ccc(NS(=O)(=O)c2cc(C(=O)NC3=NCCS3)ccc2C)cc1 9339503 BJXPQRGQCSARLW-UHFFFAOYSA-N 431.583 3.971 0 40 IHAB O=C(Cc1cccs1)Nc1nnc(SCC(=O)N2CCCc3ccccc32)s1 9391064 QYIDLEDGOLZLCV-UHFFFAOYSA-N 430.580 3.852 0 40 IHAB Cc1nc2c(sc(=S)n2Cc2ccco2)c(=O)n1CC(=O)Nc1cc(F)ccc1F 9410319 GDUIHLWFWCBUOP-UHFFFAOYSA-N 448.476 3.856 0 40 IHAB O=C(Nc1ccc(-c2nccs2)cc1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 9465310 SFZGQHXAPKVPAD-GOSISDBHSA-N 431.514 3.741 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 9509262 HDQLRYVEZWWVON-UHFFFAOYSA-N 436.477 3.537 0 40 IHAB Cc1ccc(NC(=O)c2sc3nc(CSc4ncn[nH]4)[nH]c(=O)c3c2C)c(C)c1 9608327 QANHKHOBXFGVHS-UHFFFAOYSA-N 426.527 3.573 0 40 IHAB COc1ccc(-n2ccnc2S[C@@H](C)C(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1 9646017 OUKJRMLZUNGCOL-LBPRGKRZSA-N 442.566 3.649 0 40 IHAB CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)N[C@H]2CCCc3ccccc32)c1 9752320 YNLIIWDLSRTBCL-QFIPXVFZSA-N 441.597 3.735 0 40 IHAB O=C(COc1ccccc1Cl)N(Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 9972192 ADKHEIJREXEDPY-INIZCTEOSA-N 428.337 3.588 0 40 IHAB COC(=O)c1cccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)c1 10009675 ORWWKRVVBFAONV-UHFFFAOYSA-N 430.507 3.612 0 40 IHAB O=C(Nc1nc2c(s1)CCC2)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1 10811777 ANOIQLJAXVTWLB-NSHDSACASA-N 431.992 3.529 0 40 IHAB CC(C)(C)NS(=O)(=O)c1cccc(C(=O)NCCOc2ccc3ccccc3c2)c1 10994424 CCVFNYCMWGQJJY-UHFFFAOYSA-N 426.538 3.725 0 40 IHAB Cc1c(-c2ccccc2)oc2c(C(=O)N3CCN(c4cnccn4)CC3)cccc2c1=O 11086438 PZRFHQSAHMTUSD-UHFFFAOYSA-N 426.476 3.521 0 40 IHAB CCOC(=O)c1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4)[C@@H]3C2=O)cc1 12017246 DMTOWFDANFMRDL-VABKMULXSA-N 442.471 3.914 0 40 IHAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CSc2ccccc2-3)cc1 12139808 JVKAVECSRSHJHG-UHFFFAOYSA-N 431.564 3.918 0 40 IHAB COc1cc([C@H]2c3cccn3CCN2S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC 12361776 CQJJLXRZEWWVSS-QFIPXVFZSA-N 442.537 3.616 0 40 IHAB O=C(Nc1ccc(N2CCCCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 12557575 NXKJTEKJERSHSM-KRWDZBQOSA-N 433.599 3.778 0 40 IHAB O=S(=O)(N[C@@H](CN1CCOCC1)c1ccccc1)c1ccc(Cl)cc1C(F)(F)F 12761084 ZYEWWYFNLRXCJL-KRWDZBQOSA-N 448.894 3.711 0 40 IHAB COc1ccccc1CNC(=O)COC(=O)COc1ccc(C2SCCCS2)cc1 13028920 FBWBDMGIGJDQPH-UHFFFAOYSA-N 447.578 3.802 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(NC(=O)CN2CC=C(c3ccccc3)CC2)ccc1C 13038085 YTPPQNOHWUJBGM-UHFFFAOYSA-N 441.597 3.753 0 40 IHAB Cc1occc1-c1nnc(SCC(=O)c2ccc3c(c2)OCCO3)n1C[C@H]1CCCO1 13150742 PPPPSIQYHLZXJX-MRXNPFEDSA-N 441.509 3.772 0 40 IHAB O=C1C[C@@H](c2ccc3c(c2)OCO3)c2c(nc(SCc3ccccc3Cl)[nH]c2=O)N1 13567425 BTFYUCLHMIEVMX-ZDUSSCGKSA-N 441.896 3.918 0 40 IHAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)C1=NN(c2ccccc2)C(=O)CC1 13592302 OVEOMHMJJBYWTE-UHFFFAOYSA-N 446.429 3.664 0 40 IHAB Cc1c(C)c2cc(Cl)c(OCC(=O)N3CCN(c4ccccc4)CC3)cc2oc1=O 13684820 UEEHKBNJQIXAFJ-UHFFFAOYSA-N 426.900 3.791 0 40 IHAB COc1ccc(S(=O)(=O)Nc2nc3ccc(C(=O)Nc4cccnc4)cc3s2)cc1 13692127 SNWITXBOIVWHTC-UHFFFAOYSA-N 440.506 3.753 0 40 IHAB Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2cc(C3CC3)nn2-c2ccccc2)cc1 14115378 XBIHBEPWSKNFIK-XMMPIXPASA-N 430.552 3.861 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Oc1ccc(Cl)c(Cl)c1 15013618 JYGULKUWYZXIFP-UHFFFAOYSA-N 430.309 3.542 0 40 IHAB CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)Nc1cccc(C(F)(F)F)c1)C(=O)O 16575052 KFSFYAHTWGOIFD-HOTGVXAUSA-N 431.455 3.857 0 40 IHAB COc1ccc(-c2noc(-c3c(C)cc(C)n(CC(=O)NCc4ccccc4)c3=O)n2)cc1 17011477 QBHUKMYVDAWKQT-UHFFFAOYSA-N 444.491 3.507 0 40 IHAB CCOC(=O)c1c(NC(=O)Cn2cc(-c3ccccc3)[n+]3c2CCC3)sc2c1CCC2 17015309 DKROHEADWGUZSC-UHFFFAOYSA-O 436.557 3.754 0 40 IHAB CCCN(Cc1nnc(-c2cccs2)o1)C(=O)COC(=O)c1cc2c(s1)CCC2 18468015 OAWFCJPZEZJJII-UHFFFAOYSA-N 431.539 3.944 0 40 IHAB CCC(=O)Nc1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(F)ccc2O3)cc1 19499326 WJBWBACQVGDOPO-LEWJYISDSA-N 428.504 3.558 0 40 IHAB CCc1noc(C)c1C(=O)N1CC[C@@](Cc2cccc(-c3ccc(F)cc3)c2)(C(N)=O)C1 19521181 UZVZLDCWIMDHDQ-VWLOTQADSA-N 435.499 3.912 0 40 IHAB COc1cc(CN2CCCC[C@H]2c2cc(O)nc(-c3ccncc3)n2)cc(OC)c1OC 19549787 VADRTYNBJVGEHA-IBGZPJMESA-N 436.512 3.997 0 40 IHAB COc1ccccc1C(=O)N1CCNC(=O)[C@H](Cc2ccc(-c3ccccc3F)cc2)C1 19568803 LYLVCLNUQVODDE-HXUWFJFHSA-N 432.495 3.932 0 40 IHAB CN1C[C@H](C(=O)N2CCC(c3ccc(Cc4ccc(C(F)(F)F)cc4)cn3)CC2)CC1=O 19687343 MKTOKPOUHGOCRX-LJQANCHMSA-N 445.485 3.876 0 40 IHAB Cc1nc2ccc(C(=O)N3CCC[C@H](c4ncc(C(=O)N5CCCC5)c(C)n4)C3)cc2s1 19763098 WDKRSSJGVWXBGM-SFHVURJKSA-N 449.580 3.959 0 40 IHAB C[C@H](O)C(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 22061213 MTOKLGKFIIZWRP-BXMDZJJMSA-N 434.573 3.556 0 40 IHAB in-vitro O=C(CSc1nnc2nc(O)c(-c3ccc(Cl)cc3)nn12)Nc1ccc(Cl)cc1 22720376 XNNOZQUZGNFGDY-UHFFFAOYSA-N 447.307 3.930 0 40 IHAB O=C(NCC1(N2CCOCC2)CCCCC1)c1ccc(NC(=O)c2cccs2)cc1 23805781 JRPZEGQRSVNQET-UHFFFAOYSA-N 427.570 3.765 0 40 IHAB Cn1c(=O)c2ccccc2n2c(CN3CCc4sccc4[C@H]3c3ccccc3)nnc12 24945616 YLHDENBLKRGNKU-JOCHJYFZSA-N 427.533 3.790 0 40 IHAB COc1ccc(CSc2nnc(Nc3cccc(C(C)=O)c3)c(=O)n2-n2cccc2)cc1 28536106 VOIOGRJPVQYSBW-UHFFFAOYSA-N 447.520 3.998 0 40 IHAB CCOc1ccccc1N(CC(=O)N[C@H](CC(C)C)c1ccc(OC)cc1)S(C)(=O)=O 30862216 JYXXHOKUJVRBMP-HXUWFJFHSA-N 448.585 3.764 0 40 IHAB O=C(NC1CCN(Cc2ccccc2)CC1)c1cn(-c2ccccc2C(F)(F)F)nn1 32655470 HJRLQYVNBVHBGK-UHFFFAOYSA-N 429.446 3.681 0 40 IHAB CCOC(=O)c1ccc(S(=O)(=O)Oc2ccc(C(=O)CC)cc2)c(Br)c1 32770553 VSAPVTPFTCBSSE-UHFFFAOYSA-N 441.299 3.986 0 40 IHAB COc1ccc(CN2CCCN(C(=O)c3ccc(NC(=O)c4ccco4)cc3)CC2)cc1 32879993 XDUVZRQRFVIEIX-UHFFFAOYSA-N 433.508 3.889 0 40 IHAB O=C(CCn1c(=O)oc2ccccc21)N1Cc2cc3c(cc2C2(CCCC2)C1)OCCO3 32889150 CPMFDNGROREEMA-UHFFFAOYSA-N 434.492 3.610 0 40 IHAB C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)OCc2cn3ccccc3n2)c1 32896027 RIEQFXZYUPQCCH-QGZVFWFLSA-N 447.516 3.831 0 40 IHAB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl 33547298 XCYBJGHATXUFNS-LZYBPNLTSA-N 447.856 3.932 0 40 IHAB CNC(=S)N1CCc2cc(OC)c(OC)cc2[C@H]1c1cc2cc(C)cc(C)c2[nH]c1=O 35313556 BGFKTPIMQYAGPD-QFIPXVFZSA-N 437.565 3.614 0 40 IHAB COc1cccc(-n2ccn3c(SCC(=O)c4c(C)[nH]c5ccccc45)nnc3c2=O)c1 35447924 LZZBYDUWXHZNSV-UHFFFAOYSA-N 445.504 3.654 0 40 IHAB COc1cccc(-c2cc(C(=O)NC[C@@H](C)Cn3nccc3C)c3c(C)nn(C)c3n2)c1 36616071 YXCCNXSFPPRCEA-OAHLLOKOSA-N 432.528 3.523 0 40 IHAB CCOc1ccc(S(=O)(=O)NCCCCN2CCO[C@@H](c3ccccc3)C2)cc1C 36700432 PRSSDVMDZCQNMZ-HSZRJFAPSA-N 432.586 3.526 0 40 IHAB CC(C)[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1)c1ccc2c(c1)OCCO2 40058792 VKIRPIGATCIZFM-UTKZUKDTSA-N 428.554 3.885 0 40 IHAB CCCSc1nn(CCN(C)C)c2nc3scc(-c4ccc(OC)cc4)c3c(=O)n12 40267592 HXHFTJSNSNUPLG-UHFFFAOYSA-N 443.598 3.845 0 40 IHAB COCc1nn2c(c1-c1ccccc1)N=C(O)C[C@@H]2C(=O)Nc1ccc(NC(C)=O)cc1 44902705 YMBKRQNIXIBSOS-LJQANCHMSA-N 433.468 3.826 0 40 IHAB COc1cccc(OC)c1C(=O)Nc1ccc(N2CCN(C(=O)C(C)(C)C)CC2)cc1 57316851 SSDOTXKRJQWDLM-UHFFFAOYSA-N 425.529 3.651 0 40 IHAB CCOC(=O)C1CCN(C(=O)Cn2cccc2-c2nc(-c3cccc(Cl)c3)no2)CC1 57487291 AWWPMFUYNOPXQA-UHFFFAOYSA-N 442.903 3.660 0 40 IHAB C[C@H](C(=O)N(CCc1ccccc1)Cc1ccccc1)N1CCN(c2nccs2)CC1 57769964 UQLBQMLXTBXJJZ-OAQYLSRUSA-N 434.609 3.925 0 40 IHAB COC(=O)[C@@H](C)CN(Cc1ccccc1)Cc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1 60333801 MTJLASQBYAEKPP-INIZCTEOSA-N 446.548 3.641 0 40 IHAB O=c1c2sccc2n2c(=O)n(Cc3ccccc3Cl)nc2n1CCc1ccccc1 64946320 DUQOPWZEJZFNGL-UHFFFAOYSA-N 436.924 3.817 0 40 IHAB NC(=O)c1cc2c([nH]c1=O)CCC[C@H]2NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 70014871 MCIRFUDRBMVJMO-MRXNPFEDSA-N 445.397 3.560 0 40 IHAB O=S(=O)(c1ccc(NC(=S)Nc2ccc3c(c2)OCCO3)cc1)N1CCCCCC1 71761547 QOECCNHKEKLVTN-UHFFFAOYSA-N 447.582 3.831 0 40 IHAB O=S(=O)(N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)c1cc(Br)cnc1Cl 71818563 KGCPYSYJSKYVSR-UKRRQHHQSA-N 449.729 3.835 0 40 IHAB CC(C)OCCN1CCN(C(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)CC1 72307181 VONNRSMIUNUYTQ-UHFFFAOYSA-N 441.519 3.941 0 40 IHAB CCn1c(CN2CCC[C@@H]([C@H](NC(=O)[C@@H]3CCCO3)c3ccccn3)C2)nc2ccccc21 72330585 VNUSRLMMDWUWMA-VPHKFGTKSA-N 447.583 3.700 0 40 IHAB COc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2c2cccc(Nc3ncccn3)n2)cc1C 72375817 WIWIMAZWDYJINE-GOSISDBHSA-N 439.541 3.766 0 40 IHAB O=C(CCN1CCC([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)CC1)c1ccc(F)cc1 72395707 QDBFKIPCDFFCQX-FUHWJXTLSA-N 425.430 3.690 0 40 IHAB COc1ccc(C(=O)N2CC[C@H](C)[C@H]3CCCC[C@@H]32)cc1S(=O)(=O)NC1CCCC1 78355188 PKRQLJVNYWNFHD-DBVUQKKJSA-N 434.602 3.957 0 40 IHAB Cc1c(NC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)c(=O)n(-c2ccccc2)n1C 84005334 BFPXGAFMOWOYNV-WMZHIEFXSA-N 447.583 3.859 0 40 IHAB COc1cc(-c2cn([C@@H]3CCc4c(F)cccc4NC3=O)nn2)ccc1-n1cnc(C)c1 95080392 WGXDLSKBTBHKET-OAQYLSRUSA-N 432.459 3.713 0 40 IHAB in-vitro O=C(Nc1cccnc1-c1ccccc1)C1CCN(S(=O)(=O)c2ccccc2F)CC1 95438329 AJEKIOLGODQRKS-UHFFFAOYSA-N 439.512 3.927 0 40 IHAB O=S(=O)(Nc1cncc(Br)c1Br)c1cc(F)ccc1F 95457221 QOQCTNMIZGPELA-UHFFFAOYSA-N 428.052 3.686 0 40 IHAB CC(C)c1nn(C)c2sc(C(=O)Nc3cccc(C(=O)N4CCC(O)CC4)c3)cc12 95465550 FEHSLRYIEXXFTC-UHFFFAOYSA-N 426.542 3.607 0 40 IHAB CCOC(=O)CC1(N(C)Cc2nnc(C(=O)NCc3ccc(C)cc3)s2)CCCCC1 95961364 RYIKCPIFKKAETH-UHFFFAOYSA-N 444.601 3.864 0 40 IHAB COc1cc(CN2[C@H]3CC[C@H]2CC(O)(Cn2ccc4ccncc42)C3)cc(OC)c1OC 100146032 BJZCRSFQUBCGSN-PMACEKPBSA-N 437.540 3.620 0 40 IHAB CC(C)(C)c1cc2nccc([C@H]3CC[C@H](CNC(=O)CCCN4CCCC4=O)CC3)n2n1 100159393 AARFIGHJONTOBR-KDURUIRLSA-N 439.604 3.819 0 40 IHAB NC(=O)[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1cccc(Br)c1 107347424 ODRWANFPVPQWFE-IJEWVQPXSA-N 441.247 3.914 0 40 IHAB Cc1ccc(-c2nnc(O)c3c2[C@@H](c2cccc(Br)c2)n2nnnc2N3)cc1 111999964 HRKLVEODJRMOAM-QGZVFWFLSA-N 436.273 3.601 0 40 IHAB Cc1cc(C)cc(NC(=O)CSC(=S)N2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)c1 113481418 ZUDSMDBWWPASBD-IAGOWNOFSA-N 427.595 3.541 0 40 IHAB COc1cccc(N(CC(=O)Nc2ccccc2OC)S(=O)(=O)c2ccccc2)c1 113932861 HJCIEXCDROOKAN-UHFFFAOYSA-N 426.494 3.538 0 40 IHAB C[C@@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118912614 GHCZAUBVMUEKKP-PEAZTWHBSA-N 449.632 3.594 0 40 IHAB COc1ccc(-c2noc(CNC(=O)[C@H](C)Oc3ccccc3C(C)C)n2)c(OC)c1 219300343 ABNGCJABKQQLHB-HNNXBMFYSA-N 425.485 3.961 0 40 IHAB COc1ccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3ccc(C)c(C)c3)n2)c(OC)c1 219523018 AGJOOYXDJHTPMC-INIZCTEOSA-N 425.485 3.797 0 40 IHAB COc1ccc(NC(=O)[C@H](C)N(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c(OC)c1 220428239 NJCZQNDFZNUWNR-NSHDSACASA-N 447.340 3.804 0 40 IHAB COc1cc(NC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)c(OC)cc1Cl 222570046 HADKKLILCYPUCO-UHFFFAOYSA-N 438.933 3.848 0 40 IHAB C[C@H](C(=O)Nc1nnc(-c2ccccc2)s1)N(c1ccc(Cl)cc1)S(C)(=O)=O 223448873 LOQHJDQEDULWSY-GFCCVEGCSA-N 436.946 3.652 0 40 IHAB CCOc1cccc(CNS(=O)(=O)c2ccc(SC)c(C(=O)N3CCCC3)c2)c1 223853835 VUCCTHIUCSWSCO-UHFFFAOYSA-N 434.583 3.522 0 40 IHAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-n1cnnc1 224425152 FVYZIBONSFVYBK-LEWJYISDSA-N 433.516 3.719 0 40 IHAB CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc(OC)cc1 224979422 KDIAHVVKQXMGLI-SFHVURJKSA-N 444.597 3.881 0 40 IHAB COC(=O)CN(c1ccc(Br)c(C)c1)S(=O)(=O)c1ccc(SC)cc1 224985696 QVAVQJMTMNUPJZ-UHFFFAOYSA-N 444.372 3.848 0 40 IHAB COc1cccc(-c2cc(C(=O)N3CCC(N4CCc5sccc5C4)CC3)n(C)n2)c1 225689588 ZNEQLVYSTYVQGL-UHFFFAOYSA-N 436.581 3.820 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCC(C)(C)C)c(Cl)c2)cc1 226080557 AADBLZHOGCNOCL-UHFFFAOYSA-N 440.949 3.691 0 40 IHAB Cc1nn(C(C)C)c(C)c1CN1CCO[C@H](c2cccc(-c3ccc(C(N)=O)cc3)n2)C1 257206471 BDPKWYMWWHHGBE-DEOSSOPVSA-N 433.556 3.815 0 40 IHAB Cc1nc([C@H]2CCN(C(=O)CCC3CCCC3)C2)nc(C)c1CC(=O)NC1CCCC1 257274486 NLGQXWBBPFVZDF-FQEVSTJZSA-N 426.605 3.981 0 40 IHAB Cc1cc(C)cc(N([C@H](C)C(=O)NCCOc2ccccc2C(C)C)S(C)(=O)=O)c1 260941198 RMKBESWRQPXGPU-LJQANCHMSA-N 432.586 3.777 0 40 IHAB O=C1N(Cc2ccccc2)CCO[C@]12CN(Cc1ccccc1F)C[C@@H]2c1cccnc1 306144496 ZGQGJEDOAQAVAC-BVAGGSTKSA-N 431.511 3.618 0 40 IHAB Cc1cccc(C)c1NC(=O)COC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)c1 408651496 BCIRCDMBGFXIOQ-FHQLIMNDSA-N 446.503 3.634 0 40 IHAB C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 408661595 XKXWWPZFBSSDFK-WFUUAIFHSA-N 448.906 3.776 0 40 IHAB Cc1ccccc1N1C[C@H](C(=O)Nc2cccc(C(=O)Nn3c(C)ccc3C)c2)CC1=O 408683236 KWZCQYPGOOTODZ-HXUWFJFHSA-N 430.508 3.789 0 40 IHAB CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)OCC(=O)c1ccc(F)cc1 409003783 UVZSSULWTPWXJD-LJQANCHMSA-N 431.460 3.662 0 40 IHAB CC[C@@H](C)NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1 409006167 YBLFOAJLMHLDOT-CQSZACIVSA-N 431.396 3.687 0 40 IHAB CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N([C@@H](C)C(=O)OC)C3=O)o2)cc1 409071705 POQAIZDDZRDLNR-OOIIIRTPSA-N 429.450 3.721 0 40 IHAB CCn1c(SCC(=O)Nc2ncc(C)s2)nnc1[C@@H](C)NC(=O)c1cccc(C)c1 409144989 OVKKCVPGHNSVCA-CQSZACIVSA-N 444.586 3.593 0 40 IHAB O=C(CN1C(=O)S/C(=C2\C(=O)Nc3ccccc32)C1=O)Nc1cccc2ccccc12 409355582 CXTBVNLPJUWWQI-VXPUYCOJSA-N 429.457 3.837 0 40 IHAB COCCOc1cc(CN2CCC(O)(COc3ccc(C)cc3C)CC2)ccc1OC 585271400 XSTRLDZFVFCPFO-UHFFFAOYSA-N 429.557 3.743 0 40 IHAB CCc1nnc(Nc2cc([C@H]3CCCN3C(=O)/C=C/c3csc(C)n3)nc(C)n2)s1 585290457 BOZMYWIVMJTWAC-KXPUMZMLSA-N 441.586 4.084 0 40 IHAB COc1ccc(CNC(=O)N2CCC(Cn3nc(-c4ccccc4)ccc3=O)CC2)cc1 606440931 WGBUMBGEWKHMFW-UHFFFAOYSA-N 432.524 3.541 0 40 IHAB COc1ccc(NC(=O)CSc2nnc3c(C)cc4cc(OC)ccc4n23)c(OC)c1 928485 ONKTUBIXRBZKDS-UHFFFAOYSA-N 438.509 3.948 0 40 IHAB Cc1cc(NC(=O)[C@H]2CCC(=O)N2[C@H]2OC(=O)c3ccccc32)ccc1Br 2151754 AKWHVGTZAXRADV-APWZRJJASA-N 429.270 3.556 0 40 IHAB biogenic COc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1CNC(=O)c1ccccc1OC 2407275 IQZUPWKMXFLLHP-UHFFFAOYSA-N 429.476 3.548 0 40 IHAB CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2ccccc2F)o1 2429028 GNLHLFDVWOHLNE-DOMZBBRYSA-N 427.498 3.795 0 40 IHAB C[C@@H]1CCc2nc3ccccc3c(C(=O)OCc3cccc(S(=O)(=O)N(C)C)c3)c2C1 2663991 CUVNVCSXZVANGY-MRXNPFEDSA-N 438.549 3.967 0 40 IHAB CCc1ccc(C(=O)NC(=S)N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1 4122769 XKVHNYNTBNVMCD-UHFFFAOYSA-N 443.441 3.781 0 40 IHAB Cc1c(Cl)cccc1NC(=O)CSc1nc(=O)n(Cc2ccccn2)c2c1CCC2 8601759 GSFKRVAZWMMUJW-UHFFFAOYSA-N 440.956 3.868 0 40 IHAB COc1ccc(-c2cc(NC(=O)c3cccc(S(=O)(=O)N(C)C)c3)ccc2OC)cc1 8751496 OYSXXCSDYFYLEE-UHFFFAOYSA-N 440.521 3.873 0 40 IHAB O=C(CSc1nc(O)c2cnn(-c3ccccc3)c2n1)N[C@@H]1CCCc2ccccc21 8852891 UJIHLPYSBOCUTN-LJQANCHMSA-N 431.521 3.807 0 40 IHAB COCCCNC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 9063443 AFAJABONHPKSRY-UHFFFAOYSA-N 443.975 3.957 0 40 IHAB COc1ccc([C@H](CNC(=O)CNC(=O)c2sc3ccccc3c2Cl)N(C)C)cc1 9126044 JQLCHURVHRLVRY-KRWDZBQOSA-N 445.972 3.712 0 40 IHAB CN1CCN(c2ccccc2NC(=O)C(C)(C)Oc2ccc(Br)cc2)CC1 9192650 PYOLYMNILPNIHH-UHFFFAOYSA-N 432.362 3.997 0 40 IHAB CCn1nnc2cc(C(=O)Nc3ccc(Cl)c(S(=O)(=O)N4CCCCC4)c3)ccc21 9223851 YSERVHMZOQZESF-UHFFFAOYSA-N 447.948 3.532 0 40 IHAB CCOC(=O)C1=C(C)Nc2nc(SCc3ccccc3)[nH]c(=O)c2[C@@H]1c1ccncc1 9393857 MYQDLIZCPBVCTE-GOSISDBHSA-N 434.521 3.852 0 40 IHAB Cn1c(-c2ccccc2)c(C(=O)CSc2nnnn2C[C@@H]2CCCO2)c2ccccc21 9415070 VTPLYUJVGFPUOH-KRWDZBQOSA-N 433.537 3.986 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(NC(=O)Cn2c(SC)nc3ccccc32)ccc1C 9612386 ZHOWKBLFIWTYOR-UHFFFAOYSA-N 446.598 3.736 0 40 IHAB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCc2nc(-c3ccccc3)no2)c1 9639177 QRBQZIPHLQRMSI-UHFFFAOYSA-N 449.488 3.919 0 40 IHAB Cc1cc(S(=O)(=O)NC[C@H](c2cccs2)S(=O)(=O)c2ccccc2)ccc1F 9741708 CJMWGXPOAYBOIL-LJQANCHMSA-N 439.555 3.689 0 40 IHAB COc1ccc(CCNC(=O)CCc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1 10077593 QXOMTTKBJBGOHA-UHFFFAOYSA-N 444.597 3.598 0 40 IHAB O=C(OCC(=O)C1CCCCC1)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 10219979 ZWFGXWWDYFGUMR-UHFFFAOYSA-N 441.549 3.740 0 40 IHAB COc1ccc(C(=O)OCCOc2ccc(Cl)cc2)cc1S(=O)(=O)NC(C)(C)C 11836781 ZSPUZDIKTURIOM-UHFFFAOYSA-N 441.933 3.661 0 40 IHAB Cc1ccc(N2N=C(C(=O)O[C@H](C(=O)N(C)C)c3ccccc3)CCC2=O)cc1Cl 11956422 ZCDWHOGQVYKGOB-FQEVSTJZSA-N 427.888 3.504 0 40 IHAB O=C(NC1CCCC1)[C@H](c1cccnc1)N(C(=O)c1csnn1)c1ccc(F)cc1 12472218 HXFBGYYKOWJYGC-IBGZPJMESA-N 425.489 3.519 0 40 IHAB CCCOc1ccc(NC(=O)CNC(=O)c2cc(OC)cc(OC)c2)cc1OCCC 12533629 JQVUCLHHETVGAA-UHFFFAOYSA-N 430.501 3.650 0 40 IHAB COc1ccccc1-c1noc(CN2C(=O)N[C@@](C)(c3cccc4ccccc34)C2=O)n1 12623671 TYGSDRSCIPCQRC-DEOSSOPVSA-N 428.448 3.866 0 40 IHAB O=C(CCc1cnn(-c2ccccc2)c1)N1CCN(Cc2nc3ccccc3s2)CC1 12681791 QFOQOHIYUZMZME-UHFFFAOYSA-N 431.565 3.759 0 40 IHAB O=C(N[C@H]1CCOc2ccccc21)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 12694974 WKATUKULOJLLAM-QHCPKHFHSA-N 448.544 3.687 0 40 IHAB COc1ccccc1NC(=O)[C@@H](C)N(C)CC(=O)Nc1ccc(Br)cc1C 12695446 HPWHAKWRDDIWMB-CQSZACIVSA-N 434.334 3.664 0 40 IHAB CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(-n4cccn4)cc3)n2)cc1 12728609 GWPMJQLTLKLIGG-UHFFFAOYSA-N 439.522 3.620 0 40 IHAB COc1ccc(-c2csc(NC(=O)c3cc(C)c(C)c(S(=O)(=O)N(C)C)c3)n2)cc1 12878496 LNSWUKOGHJVVDO-UHFFFAOYSA-N 445.566 3.938 0 40 IHAB CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)c1 13004630 LDKXEQSFPJKFDG-UHFFFAOYSA-N 428.514 3.641 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(Nc3ccc(-n4cccn4)nn3)cc2)cc1C 13009979 QTSUTPGCAMORLH-UHFFFAOYSA-N 436.497 3.524 0 40 IHAB CCc1ccccc1N(CC(=O)NC1CCCCC1)C(=O)CCC(=O)Nc1nccs1 13501725 MQHQPSVUZCAEPM-UHFFFAOYSA-N 442.585 3.906 0 40 IHAB Fc1ccc(Cn2nnnc2[C@H](c2ccc(F)cc2)N2CCN(c3ccccc3)CC2)cc1 13504769 KIIBPGAIKHKSSS-DEOSSOPVSA-N 446.505 3.911 0 40 IHAB CCOc1ccc(C(=O)CSC(=S)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 13572385 OKQQEBYUKICPHT-DOTOQJQBSA-N 428.579 3.567 0 40 IHAB O=C(NCc1ccccn1)c1ccc2nc(NS(=O)(=O)c3ccc(F)cc3)sc2c1 13689981 QEVRHMCXMLBSMB-UHFFFAOYSA-N 442.497 3.561 0 40 IHAB CC1CCN(c2ccc(NC(=O)COc3ccc4nc5n(c(=O)c4c3)CCC5)cc2)CC1 13691432 BXDSWQUEFSCLAA-UHFFFAOYSA-N 432.524 3.597 0 40 IHAB COc1ccc(N(CCC(=O)Nc2cccnc2)S(=O)(=O)c2ccc(C)cc2C)cc1 15436330 WOIMQDFLFOATKA-UHFFFAOYSA-N 439.537 3.931 0 40 IHAB O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccccc1F 16449285 SVNDIIXBTSXPPI-UHFFFAOYSA-N 427.423 3.808 0 40 IHAB COc1ccccc1-c1nc2n(n1)[C@@H](c1cccnc1)C(C(=O)Nc1cccnc1)=C(C)N2 17243768 AABQRDVUPBHVIZ-NRFANRHFSA-N 439.479 3.671 0 40 IHAB COc1ccc(CC(=O)N2CCC([C@@H]3C[C@H](C(F)(F)F)n4nc(C)cc4N3)CC2)cc1 19128824 ZCPPCQUOCUZYRA-RBUKOAKNSA-N 436.478 3.969 0 40 IHAB CC(C)c1ccc(CN2CCC[C@H](c3nc4c(c(=O)[nH]3)CN(C(=O)C3CC3)CC4)C2)cc1 19453228 YEIHPWDNGDZJLO-NRFANRHFSA-N 434.584 3.568 0 40 IHAB CCNC(=O)[C@@]1(Cc2ccc(-c3ccccc3F)cc2)CCCN(C(=O)c2cnccn2)C1 19528714 WUVPUMWOPFLPLO-AREMUKBSSA-N 446.526 3.884 0 40 IHAB CNC(=O)[C@]1(Cc2ccc(-c3ccc(OC)cc3)cc2)CCCN(Cc2cnn(C)c2C)C1 19553603 JCAWNJWNSBCRLR-MHZLTWQESA-N 446.595 3.975 0 40 IHAB Cc1ccccc1OCCN1C(=O)CCc2c(C)nc(CN(C)C(=O)C[C@H]3C=CCC3)nc21 19698411 HBVZPLFWSLPPML-FQEVSTJZSA-N 448.567 3.766 0 40 IHAB CCOc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3cccc(Cl)c3)C2)cc1 19860151 DXZHKEDBAFABCT-QGZVFWFLSA-N 436.961 3.919 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cc(F)ccc3F)cc2)cc1 20020394 IZGSXASCIFGPSD-UHFFFAOYSA-N 448.447 3.792 0 40 IHAB COc1ccc([C@H](CC(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)NC(C)=O)cc1 21495366 IVKIGMYPMRADKT-QRWLVFNGSA-N 430.574 3.590 0 40 IHAB Cc1ccc(OCC(=O)Nc2nc(-c3ccc(N(C)S(C)(=O)=O)cc3)cs2)cc1 21770493 QZOIOKVALFHIAC-UHFFFAOYSA-N 431.539 3.532 0 40 IHAB Cc1ccc(C)c([C@H](C)NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)c1 22331499 CKFWRXQTHMTPOC-HNNXBMFYSA-N 439.375 3.709 0 40 IHAB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2cccnc2)N2CCc3ccccc3C2)c(C)c1 22906746 OUECEQOMVUDCFC-DEOSSOPVSA-N 428.536 3.553 0 40 IHAB CC[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1)c1ccc(OC)cc1 30847840 GLFKLZNODWEJFZ-QFIPXVFZSA-N 448.560 3.644 0 40 IHAB O=C1C[C@H](C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)CN1Cc1ccc(Cl)cc1 32105365 KROXECOGPOFGRF-KRWDZBQOSA-N 447.362 3.852 0 40 IHAB O=C(c1ccc(F)cc1)N1CCC[C@@H](C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)C1 32882893 XZFSTVRILHTMBB-RBUKOAKNSA-N 434.515 3.960 0 40 IHAB CC(=O)Nc1c(C)cccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccccc2C)nc1O 44803223 FIDDNSCDHDDECM-AWEZNQCLSA-N 437.525 3.939 0 40 IHAB CCCC[C@@H](c1nnnn1Cc1ccco1)N1CCN(c2nc3ccccc3s2)CC1 57671201 MSFDIKOBGKIWDE-IBGZPJMESA-N 437.573 3.978 0 40 IHAB COc1ccc(Cc2nnc(SCC(=O)Nc3cccnc3)n2-c2ccccc2)cc1 72191577 MKAARWBMPMJJAR-UHFFFAOYSA-N 431.521 3.993 0 40 IHAB CC[C@@H](NC(=O)c1ccccc1)c1nc(-c2ccc(CCNS(C)(=O)=O)s2)cs1 72289890 YSLYXEKUCHOPDL-MRXNPFEDSA-N 449.623 3.844 0 40 IHAB Cc1nc([C@H]2CCCN2C(=O)c2ccccn2)nc2c1CCC(=O)N2Cc1cccc(F)c1 72371098 LHLRFBKOFBNXSK-OAQYLSRUSA-N 445.498 3.776 0 40 IHAB Cc1nn([C@]2(C)CCS(=O)(=O)C2)c(C)c1/C=C1\SC(=O)N=C1Nc1cccc(F)c1 72401267 SKGUSYRUEPPELL-PLMLNFJUSA-N 448.545 3.891 0 40 IHAB CC1(C)Cc2cccc(OCC(=O)NCCc3nc(C4CC4)cc(C(F)(F)F)n3)c2O1 77101164 XAXNANKCIDWIAX-UHFFFAOYSA-N 435.446 3.824 0 40 IHAB Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)[C@@H](C)N3C(=O)NC4(CCCC4)C3=O)s2)cc1 78660876 LWTGXGCDSLCNEG-GDBMZVCRSA-N 440.569 3.857 0 40 IHAB O=C(NCc1ccccc1)c1ccc2ccc(N3CCN(Cc4cccnc4)CC3)n2c1 96155958 UOKCNLGQAXAUEN-UHFFFAOYSA-N 425.536 3.587 0 40 IHAB Cc1nc2sc([C@@H](c3ccc(F)cc3)N3CCN(Cc4ccccc4)CC3)c(O)n2n1 96809885 PFQMQVYFDWAUCW-HXUWFJFHSA-N 437.544 3.851 0 40 IHAB COc1ccc(C2=C[C@H](c3c(C)nn(-c4ccccc4)c3Cl)n3nnnc3N2)cc1OC 101867325 GYSCDEYUAYFBOQ-QGZVFWFLSA-N 449.902 3.894 0 40 IHAB Cc1cc2c(cc1C)N(CC(=O)Nc1ccc(S(C)(=O)=O)cc1)C(=O)[C@H]1CCCC1=N2 101945639 QHCFDABMMVEWGB-SFHVURJKSA-N 439.537 3.565 0 40 IHAB Cc1ccc(F)cc1NC(=O)CSc1nnc([C@@H](C)NC(=O)c2ccccc2C)n1C 108268662 UQENVOGTGVGSMS-OAHLLOKOSA-N 441.532 3.793 0 40 IHAB CC[C@H](C(=O)Nc1cc(C)ccc1OC)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O 222503242 MGWRVOTUMJZICN-QGZVFWFLSA-N 428.913 3.979 0 40 IHAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(OC)cc1 222684035 QRDOUBNHKRVVIB-CYBMUJFWSA-N 425.312 3.544 0 40 IHAB CC[C@@H](NC(=O)CN(Cc1ccccc1F)S(C)(=O)=O)c1ccc2c(c1)CCCC2 223136950 AGWJWZLWPQLCQP-JOCHJYFZSA-N 432.561 3.734 0 40 IHAB COc1cc(C)c([C@@H](C)NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1C(C)C 223381926 NQTZVBDJGJQIFJ-GOSISDBHSA-N 432.586 3.766 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(Br)c(Cl)c2)cc1NC(C)=O 223787454 UDROKLYHCJBIBI-UHFFFAOYSA-N 433.711 3.870 0 40 IHAB Cc1cc(NC(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)ccc1Br 223912235 BNIPQRMCFDSMCV-UHFFFAOYSA-N 445.766 3.811 0 40 IHAB CSc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](C)c3ccccc3)CC2)cc1 224634755 QOOILBAXHFRVJY-QGZVFWFLSA-N 432.611 3.729 0 40 IHAB COc1ccc(-c2cccc([C@@H]3CN(C(=O)CCc4[nH]nc5c4CCCC5)CCO3)n2)cc1 257304503 SLYJSDFVCCSOOW-VWLOTQADSA-N 446.551 3.892 0 40 IHAB Cc1ccc(C)c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)c1 408660922 NUYPCVOMELZRCB-PMACEKPBSA-N 432.476 3.555 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)NCCC2=CCCCC2)Cc2ccccc2)cc1 409014179 PGLNEPRRUXNJDR-UHFFFAOYSA-N 442.581 3.893 0 40 IHAB CCCCNC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1 409110535 DRGWLDFYFADFFK-UHFFFAOYSA-N 439.375 3.869 0 40 IHAB COc1cccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)c1O[C@@H](C)C(=O)O 409235013 ANBALORDJPPZLB-NJPLLEPOSA-N 431.441 3.923 0 40 IHAB Cc1sc(-n2cnnn2)c(C(=O)N[C@H](Cc2ccccc2)c2nc3ccccc3[nH]2)c1C 526052601 RXFSPIKYCDHVIL-LJQANCHMSA-N 443.536 3.931 0 40 IHAB O=C(NCc1cccnc1)[C@H]1OC2(CCN(C(=O)c3ccsc3)CC2)c2ccccc21 585109609 DDCFHDDUUYFLNN-NRFANRHFSA-N 433.533 3.662 0 40 IHAB CC(C)(NC(=O)c1ccccc1F)C(=O)N1CCOC[C@@H](Cc2cccc3cccnc23)C1 585262102 ZYHRXXXRQNKJDU-SFHVURJKSA-N 449.526 3.600 0 40 IHAB Cc1ccc(OCC2(O)CCN(Cc3cccc(OCCn4ccnc4)c3)CC2)c(C)c1 585272177 LPWJQJIVDZEYII-UHFFFAOYSA-N 435.568 3.985 0 40 IHAB Cc1cc(C)n(CCOc2cccc(CN3CCC[C@@](O)(COc4ccccc4)C3)c2)n1 585272258 ROYOQLDPJLDGCM-SANMLTNESA-N 435.568 3.985 0 40 IHAB COC[C@@H](NC(=O)Nc1nnc(C2CCOCC2)s1)c1cccc(C(F)(F)F)c1 1670517297 KIOBFUTYIXEWEO-CQSZACIVSA-N 430.452 3.960 0 40 IHAB CC(=O)N1[C@@H](C(=O)N2CCN(c3ccccc3)CC2)CS[C@@H]1c1ccc(Cl)cc1 821704 LXSHMVZWNQKNGG-IFMALSPDSA-N 429.973 3.651 0 40 IHAB COc1cc(-c2nnc(SCC(=O)Nc3ccccc3Cl)n2C)cc(OC)c1OC 873206 HGVNQSYFDZFXPH-UHFFFAOYSA-N 448.932 3.892 0 40 IHAB COc1cc([C@@H]2CC(=O)c3cnc(N4C[C@@H](C)C[C@H](C)C4)nc3C2)cc(OC)c1OC 2440364 GVWJAGGCRKUJBW-JYJNAYRXSA-N 425.529 3.897 0 40 IHAB O=C1c2ccc(Br)cc2C(=O)N1CN(C(=O)C(F)(F)F)c1ccccc1 3195743 VKHDZQBGLVOMEK-UHFFFAOYSA-N 427.176 3.598 0 40 IHAB CCCCn1c(SCC(=O)N2CC(=O)Nc3ccccc32)nnc1-c1ccoc1C 4375703 FFYGAXAVVIFQGN-UHFFFAOYSA-N 425.514 3.724 0 40 IHAB Cc1csc2nc(CSc3nnc(N4CCCCC4)n3-c3ccccc3)cc(=O)n12 8710433 QCOTVTKFBGIAPJ-UHFFFAOYSA-N 438.582 3.928 0 40 IHAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)COc1nc(C)nc2ccccc12 8824440 VAWSIGIXPQTUPZ-UHFFFAOYSA-N 435.402 4.000 0 40 IHAB COc1ccc2[nH]cc(CCNC(=O)COc3ccc4c(C)c(C)c(=O)oc4c3C)c2c1 8877439 AHUWNPPUDPUXTM-UHFFFAOYSA-N 434.492 3.946 0 40 IHAB biogenic COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccccc2Br)N1C(C)=O 9034142 DVECIDKWIISVPT-ICSRJNTNSA-N 427.298 3.966 0 40 IHAB biogenic CCOc1ccc(N2C[C@@H](C(=O)Nc3nc4c(s3)C(=O)CC(C)(C)C4)CC2=O)cc1 9191213 STZIVDIYDQJLJP-ZDUSSCGKSA-N 427.526 3.689 0 40 IHAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)CSc2ccc3c(c2)CCC3)CC1 9642912 KWUDTBVVNIUZEM-UHFFFAOYSA-N 438.549 3.873 0 40 IHAB O=C(CN1CSCC1=O)Nc1nc2nc(-c3ccccc3)cc(C(F)(F)F)c2s1 9672515 YDJDXIJVYDURSS-UHFFFAOYSA-N 438.456 3.849 0 40 IHAB O=C(CSc1ccc(-c2ccc(-n3cccn3)cc2)nn1)Nc1ccc2c(c1)OCO2 9738777 GPABSPWKPWRILU-UHFFFAOYSA-N 431.477 3.789 0 40 IHAB CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)c1cccc(-n2cnnn2)c1 9764909 AMZDMMQPHPQWHJ-UHFFFAOYSA-N 438.285 3.957 0 40 IHAB O=C(CSc1nnnn1C1CC1)Nc1sc2c(c1C(=O)c1ccccc1)CCCC2 9767127 IWFYJYAESCELPU-UHFFFAOYSA-N 439.566 3.910 0 40 IHAB CCOC(=O)C1=C(COC(=O)c2ccc(CSC)cc2)NC(=O)N[C@H]1c1ccccc1 9779034 HSRROALRVHFTKF-FQEVSTJZSA-N 440.521 3.578 0 40 IHAB COC(=O)c1ccc(C)c(NC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)c1 10009622 WVSXWKVWBZKPRS-UHFFFAOYSA-N 444.534 3.921 0 40 IHAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCCN3CCCC3)ccc2C)c(C)c1 10112491 QSMDYFXTFDGPNX-UHFFFAOYSA-N 429.586 3.628 0 40 IHAB Cc1cc(I)ccc1NC(=O)c1ccc(NS(C)(=O)=O)c(C)c1 10314258 WXFPPYPYRVRVKU-UHFFFAOYSA-N 444.294 3.532 0 40 IHAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)N2c3cccc4cccc(c34)S2(=O)=O)c1C 10443289 NXYLOOGBZGDJLA-OAHLLOKOSA-N 438.505 3.861 0 40 IHAB CC(C)(C)c1ccc(O)c(NC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN23)c1 10739072 DOHPKMBRAVIJKQ-UHFFFAOYSA-N 431.539 3.554 0 40 IHAB O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1ccc2c(=O)n3c(nc2c1)CCC3 10986005 ANSWLLXGUCVHOI-UHFFFAOYSA-N 431.521 3.805 0 40 IHAB COCCN1C(=O)N[C@H](c2ccc(Cl)c(Cl)c2)C(C(=O)Nc2cc(C)on2)=C1C 11202323 FBTRXKUQYAYQJG-QGZVFWFLSA-N 439.299 3.915 0 40 IHAB Cc1onc(-c2ccccc2)c1-c1nnc(CN2CCN(C(=O)c3ccccc3)CC2)o1 12678107 ADKCDCQUYWVHST-UHFFFAOYSA-N 429.480 3.658 0 40 IHAB O=C(Nc1nc(CN2CCCCC2)cs1)c1ccc(I)cc1 12749539 VPVDEXFNZKLEEI-UHFFFAOYSA-N 427.311 3.986 0 40 IHAB CCN([C@H](C)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1ccccc1Br 12816737 VYKAXDJRNPDKRQ-CQSZACIVSA-N 425.348 3.795 0 40 IHAB C[C@@H](NC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2C)c1ccc(Cl)cc1Cl 12891044 VKQXRROIIMVFEN-GTJPDFRWSA-N 432.307 3.780 0 40 IHAB Cc1cc(N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)nc(C(C)C)n1 13008302 GMWPOTCTLDPYGE-UHFFFAOYSA-N 429.373 3.726 0 40 IHAB CN(C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)[C@H]1CCS(=O)(=O)C1 13121262 BDWVPRQETKWSPL-KRWDZBQOSA-N 432.492 3.691 0 40 IHAB CCOC(=O)c1c(C)[nH]c(C(=O)CN(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c1C 13148751 CGRJWLCREZICGC-UHFFFAOYSA-N 440.327 3.868 0 40 IHAB COc1ccc(C2=NN(C(=O)CSc3nnc4ccccn34)[C@@H](c3ccco3)C2)cc1 13164868 VDWNZCWJSUSNFS-GOSISDBHSA-N 433.493 3.801 0 40 IHAB CCS(=O)(=O)N1CCc2cc(C(=O)COC(=O)C3CCC(C(C)(C)C)CC3)ccc21 13988385 ZNZKUMRINZVTHV-UHFFFAOYSA-N 435.586 3.977 0 40 IHAB Cc1ccc(-n2nc(C)c3c2NC(=O)[C@H](C)S[C@@H]3c2ccc(OCC(N)=O)cc2)cc1 13995329 SFKAYYBHHWYTNG-YCRPNKLZSA-N 436.537 3.516 0 40 IHAB CC(=O)c1cccc(NC(=O)[C@H](C)Sc2nc(=O)c3cnn(-c4ccc(C)cc4)c3[nH]2)c1 14200438 YRVGTZJLWAECRF-HNNXBMFYSA-N 447.520 3.739 0 40 IHAB CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)Nc1ccc(I)cc1 14217233 OWMIHRRHMRDGJX-INIZCTEOSA-N 428.314 3.951 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2nc(CCC(=O)NCCc3ccc(F)cc3)cs2)cc1 16848634 OZFWLSGULBNUDZ-UHFFFAOYSA-N 447.557 3.683 0 40 IHAB Cc1ccc(C(=O)OCC(=O)Nc2cccc3nsnc23)cc1NC(=O)c1ccco1 19077110 GLESTWONAGHQET-UHFFFAOYSA-N 436.449 3.641 0 40 IHAB O=C(Nc1ccc2c(c1)COC2=O)c1cc([C@H]2CCCN(C(=O)C3CCCCC3)C2)no1 19346204 GOYZYJULXDGJOY-INIZCTEOSA-N 437.496 3.884 0 40 IHAB CCC(=O)N[C@H]1c2ccccc2CC[C@@]12CN(Cc1ccccc1)C[C@@H]2C(=O)NC(C)C 19499283 SPTBKQXXKNZLTF-NIYJGHKDSA-N 433.596 3.843 0 40 IHAB COc1ccc(-c2ccc(C[C@@]3(C(N)=O)CCCN(C(=O)Cc4cccnc4)C3)cc2)cc1 19558238 BZUYBQYBSZBPIN-MHZLTWQESA-N 443.547 3.637 0 40 IHAB CCOC(=O)[C@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@H]1c1ccccn1 19820394 DSMDTJHNZVTDDV-YADHBBJMSA-N 426.476 3.747 0 40 IHAB COc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2Cl)cc1 20062661 KOFNOYZGIKPNML-UHFFFAOYSA-N 436.961 3.699 0 40 IHAB COc1ccc(N([C@H](C)C(=O)N[C@@H](C)c2ccc(C)cc2C)S(C)(=O)=O)cc1Cl 20111320 BIKHMJFXBMWSPS-JKSUJKDBSA-N 438.977 3.997 0 40 IHAB O=C(COc1ccc(Cl)cc1Br)OCC(=O)c1ccc2c(c1)OCO2 21173337 XSQCPQGUSYNAMA-UHFFFAOYSA-N 427.634 3.636 0 40 IHAB COc1ccc(C(=O)COC(=O)c2cc(Cl)c3c(c2)OCO3)cc1Br 21461508 QMFFOQHOZQLLKU-UHFFFAOYSA-N 427.634 3.880 0 40 IHAB COc1cccc(CNCCCSc2nnnn2C)c1OCc1ccc(Cl)cc1 22109171 YORVPERMAKVIAD-UHFFFAOYSA-N 433.965 3.723 0 40 IHAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1C 22536391 VHOCSZFHDPCEJA-IBGZPJMESA-N 432.586 3.817 0 40 IHAB Cc1ccc([C@@H](CNC(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)N2CCN(C)CC2)o1 22938476 WFOJMEIGCFTKTM-HSZRJFAPSA-N 448.567 3.840 0 40 IHAB O=S(=O)(Cc1ccc(F)cc1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 25369330 FMZMHKDZWXACFQ-UHFFFAOYSA-N 437.846 3.545 0 40 IHAB CN(CCCNC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)c1ccccc1 27144732 AVFZWDVEKXYBTL-UHFFFAOYSA-N 437.565 3.768 0 40 IHAB C[C@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1)c1ccc(C(F)(F)F)cc1 30477866 PRJUWNUTECUHJX-ZDUSSCGKSA-N 446.516 3.971 0 40 IHAB CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)N2CCC[C@H]2c2cccs2)cc1 32674904 OLZANBHDTGGKMP-IBGZPJMESA-N 434.583 3.715 0 40 IHAB C[C@@H](OC(=O)CSCC(=O)Nc1ccc(Cl)cc1)C(=O)N(C)Cc1ccccc1 32721578 WHDJQPKNFWVBCB-OAHLLOKOSA-N 434.945 3.602 0 40 IHAB NC(=O)c1c(/N=c2\oc3ccc(Br)cc3cc2C(N)=O)sc2c1CCCC2 34201467 NBDRQUIFGAJMIB-NKFKGCMQSA-N 446.326 3.566 0 40 IHAB C[C@H](OC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)C(=O)N[C@@H]1CCCC[C@H]1C 36418853 RVEDZZUDBQELOL-RVKKMQEKSA-N 441.494 3.943 0 40 IHAB CCCn1c(CSc2cnc3ccccc3n2)nc2cc(S(=O)(=O)N(C)C)ccc21 40066723 RFKVBEUSJVGVKL-UHFFFAOYSA-N 441.582 3.932 0 40 IHAB COc1ccc(CCNC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)cc1OC 40140264 BMLSRPHYKILMPN-UHFFFAOYSA-N 427.451 3.629 0 40 IHAB CCc1ccc(-n2nnc(C(=O)NCc3ccc4c(c3)OCO4)c2-c2cccnc2)cc1 49003651 GEPOMHSGLWGJEH-UHFFFAOYSA-N 427.464 3.550 0 40 IHAB O=C1N[C@H](c2cccc(C(F)(F)F)c2)[C@@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1 57531297 WRFPKUKAJNLGHY-ZOWXZIJZSA-N 438.349 3.871 0 40 IHAB COC(=O)Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)cc1 58134149 LIDGOOJWPPRQLH-SFHVURJKSA-N 435.307 3.952 0 40 IHAB O=S(=O)(c1csc(-c2ccc(Br)cc2)n1)N1CCO[C@H]2CCCC[C@@H]21 58175101 AYMRJRDJJQJWPU-GJZGRUSLSA-N 443.388 3.905 0 40 IHAB CC(C)CNC(=O)c1ccc(NCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)cc1Cl 59806330 JNLJKTQMMYGCHR-HNNXBMFYSA-N 442.947 3.902 0 40 IHAB COc1ccc(C)cc1NC(=O)Cn1c(C)cc2nc(SC)n(CC(C)C)c(=O)c21 67320077 AYEBQRABQHYIQN-UHFFFAOYSA-N 428.558 3.840 0 40 IHAB COc1ccc(-c2cccc(C[C@H]3C(=O)NCCN3C(=O)CCCc3ccccn3)c2)cc1 72351436 KATGFIDQUOLVCH-VWLOTQADSA-N 443.547 3.650 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2nc(N)ncc2-c2ccc(F)cc2)cc1 72376937 JHFFJFMOWZTBLM-HXUWFJFHSA-N 442.516 3.789 0 40 IHAB CCCS(=O)(=O)N1N=C(c2ccc(NS(=O)(=O)CC)cc2)C[C@@H]1c1cccc(C)c1 79112523 NIRJLJPXPWETRQ-OAQYLSRUSA-N 449.598 3.648 0 40 IHAB COc1ccc(CN2C(=O)[C@@H]3C[C@@H](CN3C(=O)c3ccccc3)Oc3ccccc32)cc1 96111696 AOJLMGQDRGJZFB-GMAHTHKFSA-N 428.488 3.904 0 40 IHAB biogenic,in-vitro COc1ccc(C(=O)CNC(=O)c2cn(Cc3ccccc3)c(=O)c3ccccc23)cc1 96114446 YGVNYXWDCIFMJB-UHFFFAOYSA-N 426.472 3.671 0 40 IHAB biogenic CCC(=O)N1CCc2c(nc3cc([C@@H]4CCCCN4Cc4csc(C)c4)nn3c2O)C1 100234132 ACCMGFREOHMOQI-FQEVSTJZSA-N 439.585 3.827 0 40 IHAB CC1(C)[C@@H]2CC[C@]1(C)[C@H](NC(=O)C1CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC1)C2 102263408 VBIMVPWQQQESTK-YIFZBPKDSA-N 440.556 3.697 0 40 IHAB CCOc1ccc([C@@H](C)NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)cc1OCC 216408014 SCJQLXIAXXOZGP-QGZVFWFLSA-N 446.569 3.959 0 40 IHAB CCOc1ccc(CCCNC(=O)[C@@H](CC)N(c2ccc(C)cc2)S(C)(=O)=O)cc1 219101200 POVOXJXBVHISKS-JOCHJYFZSA-N 432.586 3.687 0 40 IHAB CS(=O)(=O)N(CC(=O)NCCCc1ccccc1Cl)c1ccc(C(F)(F)F)cc1 220047872 YUGQCKNUGZZIAZ-UHFFFAOYSA-N 448.894 3.874 0 40 IHAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H](C)N(c1cccc(C)c1)S(C)(=O)=O 220150386 OSSIYDFCKWDVGM-UZLBHIALSA-N 446.569 3.577 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)[C@H](C)N(c2ccc(CC)cc2)S(C)(=O)=O)cc1 220279986 XHRWRUYDTAXRBS-KRWDZBQOSA-N 446.569 3.999 0 40 IHAB O=C(Nc1nnc(S(=O)(=O)N[C@@H]2CCCc3ccccc32)s1)c1ccccc1Cl 222580137 LPKCDAYLEPITAQ-MRXNPFEDSA-N 448.957 3.800 0 40 IHAB CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(CC)cc1 223458163 ZAYLWSRQLQVKKH-IBGZPJMESA-N 426.557 3.970 0 40 IHAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)COc1cc(OC)cc(OC)c1 224340980 HGOBKYXZLYAREK-NRFANRHFSA-N 448.947 3.680 0 40 IHAB COc1ccc(NC(=O)c2ccc(OC)c(CN(C)S(=O)(=O)c3ccccc3)c2)cc1 224770192 AXUFUMAAFDRKMY-UHFFFAOYSA-N 440.521 3.777 0 40 IHAB CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc(OC)cc1 224979384 KDIAHVVKQXMGLI-GOSISDBHSA-N 444.597 3.881 0 40 IHAB Cc1nn(-c2ccccn2)c(C)c1CCNS(=O)(=O)Cc1ccc(C(F)(F)F)cc1 225583979 HJPFSFYAFUDRCV-UHFFFAOYSA-N 438.475 3.565 0 40 IHAB Nc1nnc(-c2cc(Br)c(OCc3cccnc3)c(Br)c2)o1 226321122 RUBJESNTAHSETR-UHFFFAOYSA-N 426.068 3.818 0 40 IHAB CCOc1cc(C(=O)O)ccc1[C@H]1C[C@](C)(NC(=O)CCO)C[C@@H](c2ccc(F)cc2)O1 257306040 SSQHKLORSBJEIG-YZUZCNPQSA-N 445.487 3.773 0 40 IHAB CC[C@@H](NC(=O)[C@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1)c1ccc2c(c1)CCCC2 260932936 NLJVJUXHVMIMFE-GAJHUEQPSA-N 444.597 3.996 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 408624450 QHNFDTHNKPKMOI-UHFFFAOYSA-N 430.448 3.753 0 40 IHAB CCOc1ccccc1NC(=O)c1ccc(OC)c(S(=O)(=O)NCc2ccccc2)c1 408679269 VSQOJGNMGRXPHG-UHFFFAOYSA-N 440.521 3.825 0 40 IHAB CS(=O)(=O)N(CC(=O)NC(c1ccccc1)c1ccccc1)c1ccc(F)c(F)c1 408681214 QFNJHVHXIMJRHT-UHFFFAOYSA-N 430.476 3.637 0 40 IHAB CCOc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1S(=O)(=O)N1CCCC1 408697261 IFTORHKHUPDFQP-GOSISDBHSA-N 430.570 3.621 0 40 IHAB COc1ccc(NC(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)cc1OC 408703363 FLDNXYNDDAPANQ-UHFFFAOYSA-N 426.494 3.785 0 40 IHAB COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)cc1OC 408915372 ZXMLYIHNWSRYIF-UHFFFAOYSA-N 440.521 3.994 0 40 IHAB COC(=O)c1ccc(C)c(-c2ccc(/C=C3/SC(=O)N([C@H](C)C(=O)OC)C3=O)o2)c1 409102742 ZUTXMGIUVYDHHA-YXHQGMJNSA-N 429.450 3.639 0 40 IHAB Cc1cnc(NC(=O)CN2CCC[C@H]2c2csc(NC(=O)c3ccccc3)n2)s1 585268797 SWMPJERVYXYSDA-INIZCTEOSA-N 427.555 3.936 0 40 IHAB OC1(COc2ccccc2F)CCN(Cc2cccc(OCCCn3cccn3)c2)CC1 585274627 XTTRXIFWXMFNJF-UHFFFAOYSA-N 439.531 3.897 0 40 IHAB C[C@@H]1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(C)c2C(F)(F)F)c1 614670746 MBOJEBDFPBGNAP-GFCCVEGCSA-N 441.429 3.643 0 40 IHAB C=CC(=O)N1CCC(C(=O)Nc2cc(O)cc(Br)c2)(c2ccccc2)CC1 1627505907 HNNWCBZINWHLAR-UHFFFAOYSA-N 429.314 3.840 0 40 IHAB C[C@]1(c2cccc(CNC(=O)N[C@H]3CC[C@H](c4cccc(Cl)c4)C3)c2)NC(=O)NC1=O 1683703660 GMCICBCQNIPMSK-BTCOZLQPSA-N 440.931 3.530 0 40 IHAB COCC(=O)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(OC)cc1)CN2Cc1ccccc1Cl 1848351925 SWDXRNXVWHNDKP-MQSCRBSSSA-N 428.960 3.812 0 40 IHAB Cn1c(=O)n(CC(=O)N2CCCC[C@H]2c2ncc(Cc3cccc(F)c3)o2)c2ccccc21 1848353297 BRIYEISPGJANGZ-QFIPXVFZSA-N 448.498 3.812 0 40 IHAB O=C(c1ccc(Cn2cccn2)cc1)N1CCC[C@@H]1c1n[nH]c(Cc2ccc(F)cc2)n1 1848353455 KJJFNAQUJOIAKN-OAQYLSRUSA-N 430.487 3.757 0 40 IHAB COc1ccccc1C(=O)N1CCN(c2ncnc3c(-c4ccc(F)cc4)nsc23)CC1 1370632 MFSFOEODXGQWKU-UHFFFAOYSA-N 449.511 3.863 0 40 IHAB COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccco4)CC(=O)N32)cc1 2149723 UUXNVZZEFFUNIU-WIOPSUGQSA-N 441.487 3.655 0 40 IHAB biogenic COc1ccc(NC(=O)c2sc(N3CCOCC3)nc2-c2ccccc2)c(OC)c1 2705607 INQPVQIQBJRLTQ-UHFFFAOYSA-N 425.510 3.916 0 40 IHAB CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 2938231 HGDGWHPUSCJMJH-QFIPXVFZSA-N 442.968 3.888 0 40 IHAB CCOC(=O)[C@](NC(=O)Nc1nc2ccccc2s1)(OCC(F)(F)F)C(F)(F)F 3668630 CMPKDCCZKVNLJH-AWEZNQCLSA-N 445.341 3.818 0 40 IHAB biogenic Cc1cc(C)cc(N(CC(=O)NC2CCCCC2)C(=O)CNC(=O)c2cccs2)c1 4875817 MBCZXDYVDVUYMK-UHFFFAOYSA-N 427.570 3.577 0 40 IHAB Cc1cc(C)c(S(=O)(=O)N(CCCO)Cc2cc3cc(C)c(C)cc3[nH]c2=O)c(C)c1 6300231 DCDWDPXMEQKZHU-UHFFFAOYSA-N 442.581 3.644 0 40 IHAB COc1ccc(NCc2nnc(SCC(=O)Nc3cc(Cl)ccc3OC)n2C)cc1 6444330 MDQQGBKQSITHFO-UHFFFAOYSA-N 447.948 3.829 0 40 IHAB O=C(COC(=O)C1CCC(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)CC1)c1ccc(Cl)cc1 8432849 PWBWMZUUULZMEX-YZOGRGCUSA-N 443.927 3.656 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2c3c(nn2C(C)(C)C)CSC3)cc1 8660844 BOWAQYWLEYDANR-UHFFFAOYSA-N 436.603 3.668 0 40 IHAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCc1c(C)nc2c(cnn2C(C)C)c1C 8938213 DKAZDSWMIDAGNT-UHFFFAOYSA-N 446.555 3.847 0 40 IHAB CCOc1ccc2nc(N3CCN(S(=O)(=O)c4ccc(Cl)s4)CC3)sc2c1 8967351 CVLMFHJGWMJJHU-UHFFFAOYSA-N 444.003 3.921 0 40 IHAB C[C@H](NC(=O)c1ccccc1NC(=O)c1nn(C)c(=O)c2ccccc12)c1ccccc1 8987076 RYGSXYATUCMMAP-INIZCTEOSA-N 426.476 3.677 0 40 IHAB CCOc1ccc(N[C@@H](C)C(=O)Nc2ccc(F)cc2)cc1S(=O)(=O)N1CCCCC1 9157448 AIUWNVASBYKBNO-INIZCTEOSA-N 449.548 3.838 0 40 IHAB CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)C(c1ccccc1)c1ccccc1 9376050 FQTGGLGHEFWUBG-UHFFFAOYSA-N 443.547 3.752 0 40 IHAB COc1ccc(C2=NO[C@@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)c2ccccc2)c(OC)c1 9453223 NNVCKKWETVELFA-PXDATVDWSA-N 428.444 3.785 0 40 IHAB COc1ccc(CCNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)cc1 9667753 ONKXYLRRHATIDB-UHFFFAOYSA-N 430.570 3.541 0 40 IHAB O=C(CSc1nnc(-c2ccncc2)n1C1CC1)Nc1ccc(N2CCCC2=O)cc1 9869458 YIVHFLFOILEEEX-UHFFFAOYSA-N 434.525 3.533 0 40 IHAB Cc1ccc(CN(C)C(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c(C)c1 9963523 GRRPMDSXCMSNQQ-UHFFFAOYSA-N 441.531 3.757 0 40 IHAB O=C(COC(=O)CCc1nc2ccccc2s1)NC(=O)NC12CC3CC(CC(C3)C1)C2 10021984 WPXUKVONTDUJOX-UHFFFAOYSA-N 441.553 3.567 0 40 IHAB CCOc1ccc(NC(=O)Cn2c(=O)n(-c3cccc(Cl)c3)c(=O)c3ccccc32)cc1 10338801 FDCZPZFTLFDCMX-UHFFFAOYSA-N 449.894 3.843 0 40 IHAB COc1ccc(CCC(=O)Nc2ccc3c(c2)N(C(=O)c2cccnc2)CC3)cc1OC 11999104 WQRMBRSBJCZLDY-UHFFFAOYSA-N 431.492 3.873 0 40 IHAB Cc1ccc(NC(=O)Cn2c(=O)n(-c3ccccc3)c(=O)c3oc4ccccc4c32)cc1 12140712 UMWFPPVZMLLOSI-UHFFFAOYSA-N 425.444 3.846 0 40 IHAB Cc1ccc([C@H](C)CCN2CCN(c3c(F)cccc3[C@@H](O)c3nccn3C)CC2)o1 12143402 VHJGYNMETPVMRE-UZUQRXQVSA-N 426.536 3.858 0 40 IHAB Cc1ccc(NC(=O)C[C@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)cc1C 12233175 STHCDVPAPKUXEU-SFHVURJKSA-N 431.521 3.875 0 40 IHAB CC(=O)N1C(=O)[C@@]2(S[C@H](C)C(=O)N2c2ccc(Br)cc2)c2ccccc21 12416878 DWWFVFVURDLLJO-WYRIXSBYSA-N 431.311 3.664 0 40 IHAB O=C(CSc1nncn1-c1ccccc1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 12594977 VMDSURSMCAFCRD-IBGZPJMESA-N 436.537 3.884 0 40 IHAB Cc1ccc(NC(=O)[C@H](OC(=O)[C@@H]2CCCN(C(N)=O)C2)c2ccccc2)cc1Cl 12689001 PLEZGBJXKWKUFL-VQIMIIECSA-N 429.904 3.662 0 40 IHAB CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CCNC(=O)c1ccsc1 12740106 CEFVUZJUCNVULG-UHFFFAOYSA-N 428.341 3.662 0 40 IHAB Cc1cc(=O)oc2cc(OCC(=O)N(C)CCOc3ccc(Br)cc3)ccc12 12801305 GOGANZRIXKBPKW-UHFFFAOYSA-N 446.297 3.780 0 40 IHAB COc1ccc(C(C)=O)cc1CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C 12854466 BBMGERYGVKMQMM-UHFFFAOYSA-N 444.553 3.562 0 40 IHAB CCc1ccc(N(C(=O)c2csnn2)[C@@H](C(=O)NC2CCCC2)c2ccccn2)cc1 12869573 HRHBNMPOTRKMRM-OAQYLSRUSA-N 435.553 3.942 0 40 IHAB CC1CCC2(CC1)NC(=O)N(NC(=O)CN[C@H](C)c1ccc(-c3ccccc3)cc1)C2=O 12895730 WNWKMQUQGCAIQA-JXHCQPQMSA-N 434.540 3.536 0 40 IHAB O=C(c1ccc(-c2ccc(Cl)cc2)o1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 12996200 ORSDJBHIMJGNDQ-UHFFFAOYSA-N 448.903 3.886 0 40 IHAB CCCCC(=O)N1CCC[C@H](c2nc(O)c3nnn(Cc4ccccc4Cl)c3n2)C1 13083564 HCMZQDRZRNUDFB-HNNXBMFYSA-N 428.924 3.525 0 40 IHAB Fc1ccc(N2CCN([C@H](c3ccccc3)c3nnnn3Cc3ccccc3)CC2)cc1 13504583 QYAVLDUZTAZGHV-XMMPIXPASA-N 428.515 3.772 0 40 IHAB O=C(Cc1ccc(F)cc1)N1CCC(c2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 13566082 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O=C(c1ccnn1C(F)F)N1CCC(c2nc(NC3CC3)ncc2-c2ccncc2)CC1 19405754 UJXBTSOIRKIUJI-UHFFFAOYSA-N 439.470 3.724 0 40 IHAB CCCN1CCN(C(=O)c2cn(C)cn2)C[C@@H](Cc2cccc(-c3cccc(C)c3)c2)C1=O 19502956 LHUKTUAOICZGKC-XMMPIXPASA-N 444.579 3.949 0 40 IHAB CNC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CCN(C(=O)Cc2ccccc2OC)C1 19591520 ITKDIIFLXJYZJX-HHHXNRCGSA-N 443.547 3.507 0 40 IHAB COc1cccc(CN2CCC[C@H](c3nc(N(C)C)ncc3-c3ccc(C(N)=O)cc3)C2)c1 19694596 OBLOVOXTMTWFLG-NRFANRHFSA-N 445.567 3.697 0 40 IHAB CNC(=O)c1sc2ncccc2c1[C@H]1CCN(C(=O)c2cc(Cl)ccc2OC)C1 19702120 RISRMBYYEPHYJS-LBPRGKRZSA-N 429.929 3.948 0 40 IHAB O=C(NCc1ccco1)c1ccc2c(c1)C(=O)N(c1ccc(Br)cc1)C2=O 19913973 WFCNLVUDPMVFRO-UHFFFAOYSA-N 425.238 3.773 0 40 IHAB O=S(=O)(N[C@@H]1CCCC[C@@H]1N1CCN(C2CCCCC2)CC1)c1ccc(Cl)cc1 20441716 KSXFVFBADVPBKS-YADHBBJMSA-N 440.053 3.880 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc2nnc(SCc3ccccc3OC(F)F)n2c1 22313202 QVEYPQDAPXFROV-UHFFFAOYSA-N 442.513 3.654 0 40 IHAB Cc1cc(C)cc(N(CC(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)S(C)(=O)=O)c1 22329329 MCRJPWUCONRSLK-HXUWFJFHSA-N 430.570 3.796 0 40 IHAB O=C(c1ccc2c(c1)OCO2)N1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 22592374 AJPNEMQEEALNTR-UHFFFAOYSA-N 427.810 3.835 0 40 IHAB O=C(c1ccccc1OCc1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 23247106 NSDHVNAOISPACO-UHFFFAOYSA-N 430.504 3.952 0 40 IHAB CC[C@H](Sc1nc(CN2CCOCC2)nc2ccccc12)C(=O)NCc1ccccc1 23990087 HMVRDFOBZRTHGU-NRFANRHFSA-N 436.581 3.649 0 40 IHAB CC(C)(C)OC(=O)NC1(CNC(=O)CCn2cnc3ccccc3c2=O)CCCCCC1 24495822 VNBWQTOPATXYML-UHFFFAOYSA-N 442.560 3.521 0 40 IHAB CC(C)(C)OC(=O)NC1(CNC(=O)CCc2nc(-c3ccncc3)no2)CCCCCC1 24496131 VBHWUECIXRWKJY-UHFFFAOYSA-N 443.548 3.798 0 40 IHAB FC(F)Oc1ccc(NC(=S)N2CCN(Cc3ccc4c(c3)OCCO4)CC2)cc1 25572271 PIKKJHHZXVGDGU-UHFFFAOYSA-N 435.496 3.574 0 40 IHAB Cc1nn(C)c2ncc(NC(=O)c3ccccc3C(=O)c3ccc4c(c3)OCCO4)cc12 27094939 CXFGLSSJDQIJIT-UHFFFAOYSA-N 428.448 3.531 0 40 IHAB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC[C@H](c1ccco1)N(C)C 32967247 UEBQQCGGZCHHBI-AEFFLSMTSA-N 426.344 3.760 0 40 IHAB O=C(C1=C(c2ccccc2)S(=O)(=O)CCO1)N(Cc1ccco1)Cc1cccs1 35672472 WMZWJYHVWBXWSF-UHFFFAOYSA-N 429.519 3.684 0 40 IHAB CCn1nc(C)c(-c2cc(C(=O)Nc3cccc(OC)c3OC)c3cnn(C)c3n2)c1C 36616288 RSDFAHGCQRDERY-UHFFFAOYSA-N 434.500 3.738 0 40 IHAB CS(=O)(=O)c1ccc2nc(NC(=O)Cn3c4c(c5ccccc53)CCC4)sc2c1 36708633 XJOXTEGXQNLVPW-UHFFFAOYSA-N 425.535 3.782 0 40 IHAB Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccc(Cl)cc4)[nH]c(=O)c32)c(F)c1 40399327 AUPXGWHYZZNTJW-CYBMUJFWSA-N 441.850 3.679 0 40 IHAB CCOc1ccc(-n2c(SCC(=O)Nc3ccccc3C)nc3[nH]ncc3c2=O)cc1 51316422 SAFSCJBALHYBLI-UHFFFAOYSA-N 435.509 3.547 0 40 IHAB Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)N[C@H]3CCc4ccccc43)c2=O)c(C)c1 57493209 NOTAZPGYGMXWEF-IBGZPJMESA-N 445.544 3.634 0 40 IHAB O=C(NCc1cccc(Br)c1)c1nc(-c2nc(-c3ccccn3)no2)cs1 62007394 HRMWWPPRVHTLIO-UHFFFAOYSA-N 442.298 3.948 0 40 IHAB COc1ccc(N2CC3(CCN(C(=O)OCc4ccccc4)CC3)OC2=O)cc1OC 71789074 DXBPVCNHYZNOTA-UHFFFAOYSA-N 426.469 3.832 0 40 IHAB C[S@](=O)C[C@H](NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)c1ccccc1 72298103 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COc1ccc2c(C)c(CCC(=O)N[C@H](C)C[C@H](O)c3ccc(F)cc3)c(=O)oc2c1 95423963 DVICZQUJNXXGCL-SZNDQCEHSA-N 427.472 3.810 0 40 IHAB COc1ccc(OC)c(-c2cc(C(=O)N3CCC(Oc4ccc(Cl)cn4)CC3)[nH]n2)c1 96096905 XYCLPEYYWBSYET-UHFFFAOYSA-N 442.903 3.826 0 40 IHAB COc1cc(C[C@@H]2CC(c3sc4nc(C)cc(C)c4c3N)=NO2)c(OC)c2c1OCO2 96335741 SPXBHZMRXQYNLP-CYBMUJFWSA-N 441.509 3.977 0 40 IHAB COc1ccc(C(=O)COc2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H]([C@H]6C[C@H]56)[C@@H]4C3=O)cc2)cc1 100638027 SYUJAWVNBGZCNK-JKNQRQLFSA-N 429.472 3.514 0 40 IHAB O=C(CNC(=O)c1ccccc1)NC[C@H]1CC[C@H](C(=O)Nc2cccc3ncccc23)CC1 100925170 ICSDWVUKHOKHCH-PUZFROQSSA-N 444.535 3.526 0 40 IHAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)COC(=O)c2cccc(I)c2)C1 103112390 RGXPOOQDAOCKEN-HNAYVOBHSA-N 441.309 3.875 0 40 IHAB COc1ccc(N2C(=O)CC(=O)N=C2SCc2cc(=O)oc3cc(C)c(C)cc23)cc1 104106906 KRUTWHQUDGCANI-UHFFFAOYSA-N 436.489 3.971 0 40 IHAB COC(=O)[C@H]1c2ccccc2CCN1CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 108091360 NLGQBPSPAOZWAG-AUSIDOKSSA-N 449.532 3.791 0 40 IHAB COc1ccc(CCNC(=O)[C@@H](C)N(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 220430348 XLIFNCQUVRXHSZ-CYBMUJFWSA-N 445.368 3.515 0 40 IHAB CC[C@@H](C(=O)NCCOc1ccccc1C(C)C)N(c1ccc(F)cc1)S(C)(=O)=O 223784109 VJOJUUMTBFTPJQ-FQEVSTJZSA-N 436.549 3.689 0 40 IHAB COCc1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)c1 224365268 RTJPSLCSNFOCRE-UHFFFAOYSA-N 436.961 3.667 0 40 IHAB CCN(CCCNC(=O)c1cccc(N2CCCCS2(=O)=O)c1)c1ccc(C)cc1 224392676 RSGXAPLYINXSBA-UHFFFAOYSA-N 429.586 3.571 0 40 IHAB COc1cccc(NS(=O)(=O)c2ccc(NC(=O)COc3cccc(OC)c3)cc2)c1 224574262 WHUBJAUWKUPYNT-UHFFFAOYSA-N 442.493 3.522 0 40 IHAB CCc1ccc(OCCNC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 224631084 KGEYCTKYOQMSQE-UHFFFAOYSA-N 438.977 3.644 0 40 IHAB Cc1cccc(OCCNC(=O)CCCN(c2cccc3ccccc23)S(C)(=O)=O)c1 224682678 XIQBHQSHXOHCRG-UHFFFAOYSA-N 440.565 3.890 0 40 IHAB CC(C)(C)CC(=O)N1CCC(O)(c2csc(CN3CCc4ccccc4C3)n2)CC1 225474648 CJIXCKXEBCGJHE-UHFFFAOYSA-N 427.614 3.948 0 40 IHAB biogenic,in-vitro CC(C)c1ccc(NC(=O)CN2CCC3(CC2)CCC(C)(C)N(S(C)(=O)=O)C3)cc1 257278070 OARGVNJSSYRFPE-UHFFFAOYSA-N 435.634 3.665 0 40 IHAB Cc1ccc(C2(C(=O)N3CC[C@@]4(CN(Cc5ccccc5)C(=O)O4)C3)CCOCC2)cc1 257306710 SVMCCIYCJCUQTP-VWLOTQADSA-N 434.536 3.667 0 40 IHAB Cc1cc(-c2cn(C)nc2[C@H]2CC[C@H](CNC(=O)[C@H]3CC(=O)Nc4ccccc43)CC2)on1 257321129 WAEWGWVLHCGKHF-LNLFQRSKSA-N 447.539 3.900 0 40 IHAB COc1ccc(C)cc1CC(=O)N1CCC[C@](COc2cccc(Cl)c2)(CC(N)=O)C1 257338196 YWKNKKOLIXIXEY-DEOSSOPVSA-N 444.959 3.763 0 40 IHAB Cc1ccc(-c2ccc3c([C@H]4CN(C(=O)c5cccc(C)n5)CCN4C)nnn3c2)cc1 306144969 ZTRINGSZHRZTQY-HSZRJFAPSA-N 426.524 3.537 0 40 IHAB Cc1cc(C)n(-c2cc(N3CC(C(=O)Nc4ccccc4-c4csc(C)n4)C3)ncn2)n1 390826561 NHBWECVADWNLQV-UHFFFAOYSA-N 445.552 3.786 0 40 IHAB COc1cc(OC)cc(-c2nnc(S/C(=C\c3cc(OC)ccc3OC)C(=O)O)o2)c1 408635110 YWLFKEMJOOTSBC-ZDLGFXPLSA-N 444.465 3.989 0 40 IHAB CS(=O)(=O)N(CC(=O)NCCSC1CCCCC1)c1cc(Cl)cc(Cl)c1 409024581 FEDOYUOYPIFXDP-UHFFFAOYSA-N 439.430 3.942 0 40 IHAB C[C@@H](NC(=O)c1ccc(N2CCC(O)CC2)cc1)c1noc(-c2ccc(Cl)cc2)n1 531466072 AQLASLCAZLKFSP-CQSZACIVSA-N 426.904 3.842 0 40 IHAB O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)Nc1cccc2cccnc12 604419676 RKCOQEGUUXYPKX-XMMPIXPASA-N 434.455 3.988 0 40 IHAB CCN1CCN(c2ccc(NC(=O)c3c[nH]c4c(C(F)(F)F)cccc4c3=O)cc2)CC1 2037850104 VZLMFOGGTBZJNU-UHFFFAOYSA-N 444.457 3.941 0 40 IHAB O=C1CO[C@@]2(CCCN(Cc3cnc(-c4ccccc4)nc3)CC2)CN1c1ccccc1 2037988965 PMELSSGJVPZHLG-AREMUKBSSA-N 428.536 3.932 0 40 IHAB O=C(Nc1ccc2c(c1)OCCO2)c1cccc(NS(=O)(=O)c2cccc(F)c2)c1 631454 NTDIUQICOGIFBU-UHFFFAOYSA-N 428.441 3.650 0 40 IHAB COc1cc(C2=N/C(=C/c3cc(Br)ccc3O)C(=O)O2)cc(OC)c1OC 1735670 UGAHYGJQYLNTFR-NTUHNPAUSA-N 434.242 3.525 0 40 IHAB Nc1c(C(=O)NCc2cccs2)c2nc3ccccc3nc2n1-c1ccc2c(c1)OCO2 2207824 UNDPTXYXPCWRMM-UHFFFAOYSA-N 443.488 3.876 0 40 IHAB CCOc1ncccc1C(=O)OCC(=O)c1cc(C)n(Cc2ccc3c(c2)OCO3)c1C 2635178 OPRVFDOANALKBE-UHFFFAOYSA-N 436.464 3.715 0 40 IHAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cccc(I)c1 2657456 XWWORFKHWIIZBH-UHFFFAOYSA-N 444.219 3.670 0 40 IHAB COc1cc(CC(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc(OC)c1OC 3515602 IJTDTURWROXVPF-UHFFFAOYSA-N 428.268 3.744 0 40 IHAB CCNC(=S)N(CCc1ccccc1C)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 6194058 HBTRLIUROOZFBZ-UHFFFAOYSA-N 437.565 3.547 0 40 IHAB Cc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)C(=S)NCCCN(C)C)cc2c1 6408302 RQSBAVSNNFDGND-UHFFFAOYSA-N 440.588 3.804 0 40 IHAB COc1ccc(NC(=O)CSc2ccc(F)cc2)cc1S(=O)(=O)N1CCCCC1 8692802 RTSMMQHLPOROTH-UHFFFAOYSA-N 438.546 3.740 0 40 IHAB CC(C)CCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc4c(c3)OCCO4)ccc21 8840932 FMSGQHPAUJIHNM-UHFFFAOYSA-N 430.526 3.584 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(C(C)C)c2)cc1 9094979 HOAKOQZTEIAJBE-UHFFFAOYSA-N 440.587 3.650 0 40 IHAB Cc1nnc2sc(-c3ccc(CNC(=S)NC(=O)c4cc5ccccc5o4)cc3)nn12 9142281 PGUINYZWMIEBOX-UHFFFAOYSA-N 448.533 3.712 0 40 IHAB O=C(CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O)Nc1ccc2c(c1)CCC2 9193557 DGHOGIXKASFSDP-MHZLTWQESA-N 439.515 3.804 0 40 IHAB CCOc1cc(Br)cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)c1O 9260545 XGIWLNCYOHOOQR-OVCLIPMQSA-N 435.249 3.785 0 40 IHAB CCn1c(SCC(=O)Nc2cc(NC(C)=O)ccc2OC)nnc1-c1cccc(C)c1 9307554 MZQXBUJYGHTXJA-UHFFFAOYSA-N 439.541 3.971 0 40 IHAB Cc1cc(C)cc(NC(=O)CSc2nc3nccnc3c(=O)n2Cc2ccccc2)c1 9405121 CRBKOLLMVHHERD-UHFFFAOYSA-N 431.521 3.582 0 40 IHAB O=C(NCc1ccc2c(c1)OCO2)c1cnn2c1N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F 9435626 QEUXTBPRMWXTLL-CXAGYDPISA-N 434.374 3.795 0 40 IHAB NC(=O)c1ccsc1NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 9478587 SPLQJMGICLTFGX-UHFFFAOYSA-N 438.538 3.653 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(NC(=O)CSc2ncnc3ccccc23)ccc1C 9580991 XYCAIERVBZNEME-UHFFFAOYSA-N 444.582 3.700 0 40 IHAB COc1cc(C(=O)COC(=O)CSc2ncnc3sccc23)ccc1OC(F)F 9671844 ILAUACMIWPOWSX-UHFFFAOYSA-N 440.449 3.820 0 40 IHAB O=C(CSc1nnc(NC(=O)Nc2ccc(F)cc2)s1)NCc1ccc(F)cc1 9743719 YDSSLGNTBKJLFO-UHFFFAOYSA-N 435.481 3.869 0 40 IHAB COc1ccc(Br)cc1Cn1nnc(C(=O)Nc2cccc(C)c2C)c1N 9749151 MFUYCJLTBJEMSV-UHFFFAOYSA-N 430.306 3.549 0 40 IHAB Cc1cc(-n2ccnc(SCC(=O)NCc3ccccc3)c2=O)ccc1Br 9761418 BALDDQJGZMGHQA-UHFFFAOYSA-N 444.354 3.712 0 40 IHAB CCn1c(CCC(N)=O)nnc1S[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 9796762 QRWFSAXVPZRGSE-JOCHJYFZSA-N 433.537 3.914 0 40 IHAB Cc1c(C)n2c3c(=O)n(Cc4ccccc4F)c(=O)n(C)c3nc2n1[C@H](C)c1ccccc1 10104170 PBRJMVUSWWMTIQ-QGZVFWFLSA-N 445.498 3.563 0 40 IHAB CN(c1ccc(C(=O)NCCCN2CCCCCC2)cc1)S(=O)(=O)c1ccccc1 10111197 WBTQGWAEDSKDNF-UHFFFAOYSA-N 429.586 3.508 0 40 IHAB CCN(CC)CCn1c(NC(=O)c2nc(C)n(-c3ccc(F)cc3)n2)nc2ccccc21 11558867 LQLOCEWRPMJZTM-UHFFFAOYSA-N 435.507 3.659 0 40 IHAB CCOc1ccc(NC(=O)CSc2ncnc3c2nnn3Cc2ccc(F)cc2)cc1 11758482 CMKLHMNSOQXNFS-UHFFFAOYSA-N 438.488 3.538 0 40 IHAB O=C1N[C@H](c2ccc(C(F)(F)F)cc2)[C@H](C(=O)c2ccccc2)[C@](O)(C(F)(F)F)N1 11859123 OIZHACYCJSJBLX-CPUCHLNUSA-N 432.320 3.809 0 40 IHAB COc1cc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccnc2)cc(OC)c1OC 11999057 UQZDOTASCGTLTD-UHFFFAOYSA-N 447.491 3.953 0 40 IHAB COc1ccc(-c2cc3nc([C@H](C)NC(=O)[C@@H]4Cc5cc(Cl)ccc5O4)nn3cn2)cc1 12085187 IHLUIRZYFWHROG-RBZFPXEDSA-N 449.898 3.634 0 40 IHAB COc1ccc2nc(-c3ccc(C)c(NS(=O)(=O)c4cc(F)ccc4OC)c3)cn2n1 12441330 AEYSVOXJCWLGQE-UHFFFAOYSA-N 442.472 3.662 0 40 IHAB CCOC(=O)c1cc(OCc2nc(-c3cccc(OC)c3)no2)cc(C(=O)OCC)c1 12815594 COEQPRHJNOLEEC-UHFFFAOYSA-N 426.425 3.678 0 40 IHAB CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C[C@@H](O)COc1ccc(CC)cc1 12883973 JVEMXVMIDQKCAX-GOSISDBHSA-N 429.948 3.791 0 40 IHAB O=C(NCCc1ccc2c(c1)OCCO2)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 12923493 FRAJGPCEIQTQSO-HSZRJFAPSA-N 429.472 3.885 0 40 IHAB COc1ccc(-c2nc(NC(=O)CN3C(=O)N[C@]4(CCCC[C@H]4C)C3=O)sc2C)cc1 12993117 WUZFFWVCLKTOFB-DMZKTXOQSA-N 442.541 3.566 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(N2CCC(C)CC2)c(C(=O)NCc2ccccc2)c1 13112402 YCTNKWPFXDERSR-UHFFFAOYSA-N 443.613 3.883 0 40 IHAB Cn1c(SCC(=O)NCCc2nc3ccccc3s2)nnc1-c1ccccc1F 14157582 XLVQZFHRXSWJOB-UHFFFAOYSA-N 427.530 3.682 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)NCCc1csc2nc(-c3ccccc3C)nn12 15783891 MHNPYNHWMMASBK-UHFFFAOYSA-N 442.566 3.604 0 40 IHAB COC(=O)c1c(CSc2nnc3n(C)c(=O)c4ccccc4n23)nc2ccccc2c1C 16323119 NNGSJDDTOKCNKH-UHFFFAOYSA-N 445.504 3.517 0 40 IHAB COc1ccc([C@@H]2CN(Cc3ccc(F)c(F)c3)C[C@H]2c2cc(=O)[nH]c(C)n2)cc1OC 19285447 QTIQCPSWFSSYQC-ZWKOTPCHSA-N 441.478 3.757 0 40 IHAB CCN1CCN(C(=O)c2cn(C)cn2)C[C@@H](Cc2ccccc2-c2ccc(C)cc2)C1=O 19527620 XBSHLRZRJGOKLK-JOCHJYFZSA-N 430.552 3.559 0 40 IHAB CCNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)c2ccc(N)nc2)C1 19528609 OYBOAXFCABHXMY-VWLOTQADSA-N 448.592 3.994 0 40 IHAB Cc1cc(C(F)(F)F)c2c(=O)[nH]c(C3CCN(C(=O)CCc4ccncc4)CC3)cc2n1 19568546 VNDADLARKAIIDG-UHFFFAOYSA-N 444.457 3.984 0 40 IHAB CN(C)C(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)c2cncc(N)c2)C1 19579225 QPKPMJVTSNQGIR-VWLOTQADSA-N 448.592 3.946 0 40 IHAB Cc1nc([C@@H]2CCCN2C(=O)CCCOc2ccccc2F)ncc1C(=O)N1CCCC1 19756002 UQZSPESJJLKZRL-FQEVSTJZSA-N 440.519 3.683 0 40 IHAB CCN(CC(=O)N[C@@H](C)c1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1 20014036 FKJOWFHDDJRUKN-HNNXBMFYSA-N 439.375 3.646 0 40 IHAB O=C(CS[C@@H]1CCc2ccccc2N=C1O)Nc1ccc(CN2CCOCC2)cc1 20676712 GNJAEMKVAXSTJF-OAQYLSRUSA-N 425.554 3.794 0 40 IHAB COc1ccccc1NC(=O)CCN1CCN(Cc2ccc(Br)s2)CC1 22931309 RARPOBHDDVSASG-UHFFFAOYSA-N 438.391 3.666 0 40 IHAB O=C(NC1CC1)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(F)cc2)cc1 23076211 RBQGVNXVEGBIIE-UHFFFAOYSA-N 428.485 3.702 0 40 IHAB CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(OCc3cn4ccccc4n3)c2)CC1 24030052 HBGDFQNVWYXAJI-UHFFFAOYSA-N 436.512 3.606 0 40 IHAB Cc1nc2ccc(NC(=O)c3ccccc3SC[C@@]3(C)NC(=O)NC3=O)cc2s1 24974048 RGVBSCTZOXYFCS-HXUWFJFHSA-N 426.523 3.547 0 40 IHAB C[C@@H]1CN(CCCNC(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)C[C@@H](C)O1 29981455 WGAWOMNNSSMRSY-NHCUHLMSSA-N 432.568 3.828 0 40 IHAB COc1ccccc1-n1cnc2cc(C(=O)Nc3cccc(NC(C)=O)c3)ccc2c1=O 32087596 UWKZMVVINHQOLG-UHFFFAOYSA-N 428.448 3.605 0 40 IHAB CC[C@@H](C)c1ccc(NC(=S)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1 32579156 BVQNEVWWIHGZBL-QGZVFWFLSA-N 446.642 3.945 0 40 IHAB CSc1cccc(N2C[C@@H](C(=O)OCc3nc(-c4ccc(F)cc4)no3)CC2=O)c1 32671805 MBOAPGVARRXXHD-AWEZNQCLSA-N 427.457 3.694 0 40 IHAB CC1=NN(c2ccccc2)C(=O)[C@]12Cc1cc(Br)ccc1N1CCN(C)C[C@@H]12 36056321 BFOGSGSBDUJOMY-IFMALSPDSA-N 439.357 3.535 0 40 IHAB biogenic COc1c(C(=O)NCC(C)C)cn(C)c1-c1nc2cc(NC(=O)C(C)C)ccc2n1C 36369894 NYXKQFHTPIADPF-UHFFFAOYSA-N 425.533 3.568 0 40 IHAB biogenic O=S(=O)(NCCCCN1CCO[C@H](c2ccccc2)C1)c1ccc(F)c(Cl)c1 36700368 RXABJXDCXNPMJW-FQEVSTJZSA-N 426.941 3.611 0 40 IHAB C[C@H](C(=O)Nc1ccc(F)c(F)c1)N(C)Cc1ccc(C(=O)NCC(F)(F)F)cc1 40071666 IBJPNFCAZVPWHU-GFCCVEGCSA-N 429.389 3.716 0 40 IHAB CCCC(=O)Nc1nc2ccc(NS(=O)(=O)c3cc(OC)ccc3OC)cc2s1 40146647 RIHMPPWUOYXDSG-UHFFFAOYSA-N 435.527 3.853 0 40 IHAB COc1cc([C@H]2Oc3c(OC)cc(/C=C/COC(C)=O)cc3[C@@H]2COC(C)=O)ccc1O 40865806 TYXVTGSQLKCKCF-FDTLDTTQSA-N 442.464 3.766 0 40 IHAB biogenic O=C(Nc1nc2ccccc2nc1N1CCCC1)c1cccc(NC(=O)[C@H]2CCCO2)c1 45549048 VMDZCNOZILLUDH-HXUWFJFHSA-N 431.496 3.600 0 40 IHAB CCOc1ccc(-n2nnc(-c3nsc(NC(=O)c4ccccc4OC)n3)c2C)cc1 57511000 UVTHZKYTNBKFLT-UHFFFAOYSA-N 436.497 3.754 0 40 IHAB CCOc1ccc(NC(=O)c2ccc(N(C)CC)cc2)cc1S(=O)(=O)N1CCCC1 58019182 GIQBUYZRAHAAIL-UHFFFAOYSA-N 431.558 3.578 0 40 IHAB COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)N1CCC[C@H]1c1ccsc1 58114730 KDPNLHBQNUXOTA-IBGZPJMESA-N 428.558 3.513 0 40 IHAB O=C(Nc1ccn(CCc2ccncc2)n1)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 60335161 AGRPCWVCDYWLNZ-UHFFFAOYSA-N 426.402 3.978 0 40 IHAB C[C@@H](Cn1nc(-c2cccs2)ccc1=O)C(=O)NCc1ccccc1OC(F)(F)F 61984103 RZGZJZNXJCWOFB-ZDUSSCGKSA-N 437.443 3.823 0 40 IHAB CN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 68936918 DVKJIHMKLUOZBA-UHFFFAOYSA-N 438.505 3.531 0 40 IHAB NC(=O)c1cccc(-c2cccc([C@@H]3CCCN(C(=O)COc4ccc(F)cc4)C3)n2)c1 72350220 PHXGOAVSQWSVJU-LJQANCHMSA-N 433.483 3.772 0 40 IHAB CC(=O)N1CCC(C(=O)N2CCCC[C@@H]2c2nc(N)ncc2-c2ccc(Cl)cc2)CC1 72377165 PWTDJKCSLJXYJY-HXUWFJFHSA-N 441.963 3.691 0 40 IHAB COc1ccc(NC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)cc1Br 89938188 OGALAIALPYYUBM-LBPRGKRZSA-N 428.327 3.931 0 40 IHAB CC[C@@H](C(=O)NCCN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O)c1ccccc1 89947867 IETCMJLRSHRBQN-UOBPLZBXSA-N 438.505 3.762 0 40 IHAB Cc1ccccc1N1C(=O)NC(=O)/C(=C(\NCc2ccc(F)cc2)Nc2ccccc2)C1=O 101382530 IQDYMULOZKMRKL-DQRAZIAOSA-N 444.466 3.830 0 40 IHAB COc1cc([C@H]2[C@H]3C(=O)N(c4ccccc4C)C(=O)[C@@H]3ON2c2ccccc2)ccc1O 102724235 VZAFSPQRRKUHIT-XPWALMASSA-N 430.460 3.760 0 40 IHAB CN1C[C@H](c2ccc(F)cc2)[C@@H](C(=O)c2ccc3c(c2)OCO3)[C@@]12C(=O)Nc1ccccc12 107175824 QCQZDWILBXABDO-LZECLLPCSA-N 444.462 3.930 0 40 IHAB COc1ccc(CCNS(=O)(=O)c2ccc(NC3CCCCC3)c(C(=O)O)c2)cc1 217618821 XQUANHMVGKCFPU-UHFFFAOYSA-N 432.542 3.659 0 40 IHAB CC[C@H](C(=O)Nc1ccc(C(=O)OC)cc1)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O 220728963 SUNGTBHBRSMGKR-GOSISDBHSA-N 438.933 3.618 0 40 IHAB COc1ccc(CCNC(=O)[C@H](C)N(Cc2ccc(F)cc2)C(=O)C(C)C)cc1OC 222912877 YJYSRPMECSWWSK-KRWDZBQOSA-N 430.520 3.575 0 40 IHAB CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OC)c1ccc(OC)c(C)c1 223296185 UFZIXTDNKSZYRD-FQEVSTJZSA-N 446.569 3.678 0 40 IHAB CC[C@@H](C(=O)Nc1nnc(SC(C)C)s1)N(c1cccc(Cl)c1)S(C)(=O)=O 223335917 ZTCVSIDYQYUPJT-ZDUSSCGKSA-N 449.023 3.875 0 40 IHAB CCc1ccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1 224021743 GABOXPSFQXXWJL-UHFFFAOYSA-N 430.570 3.541 0 40 IHAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCCOC3CCCC3)cc2)cc1 224182989 YLSWEVSWWRCNLA-UHFFFAOYSA-N 446.569 3.599 0 40 IHAB CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H]3CC(C)(C)Oc4cc(C)ccc43)ccc21 224593209 YHNJUTXMSLLAIE-IBGZPJMESA-N 428.554 3.875 0 40 IHAB Cn1c(=O)sc2cc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)ccc21 225035980 AGDPSKJZEBBXCP-UHFFFAOYSA-N 439.518 3.653 0 40 IHAB Cc1c(Cl)cccc1N(CCCC(=O)NCCCN1CCCCCC1)S(C)(=O)=O 225140564 YXKOGCBFVLMQJI-UHFFFAOYSA-N 444.041 3.577 0 40 IHAB S=C(NCc1nc(-c2cccc(Br)c2)no1)Nc1ccc2c(c1)OCO2 225825442 RKRPHTUNVHJFIB-UHFFFAOYSA-N 433.287 3.714 0 40 IHAB Cc1nn(-c2ccccc2)c(Cl)c1CS(=O)(=O)[C@H](C)C(=O)N[C@H]1CCCC[C@H]1C 245225315 RVHGGEZLSNNUJZ-OGWOLHLISA-N 437.993 3.832 0 40 IHAB Cc1ccc(C(=O)N2CCN3[C@@H](C2)CN(C(=O)c2ccc(Cl)cc2)CC3(C)C)cc1 253403578 QCVDNTYMPWVEGF-NRFANRHFSA-N 425.960 3.709 0 40 IHAB biogenic,in-vitro COc1ccc(Nc2cc(C)nc([C@@H]3CCN(C(=O)CCn4nc(C)nc4C)C3)c2)cc1 257229602 FYSJLDWFRYPORO-LJQANCHMSA-N 434.544 3.757 0 40 IHAB CN(Cc1cc(Cl)ccc1OCc1ccccc1)[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O 257242837 IEJUYFKNMRHSSU-CQOQZXRMSA-N 430.976 3.575 0 40 IHAB COCCc1ncc(CN2CCO[C@H](c3cc(Cc4ccc(F)cc4)cc(C)n3)C2)cn1 257304296 SKYIHFZDCIBSIN-DEOSSOPVSA-N 436.531 3.672 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(SC)c3)C2)cc1 408557014 FSLQWYGTGVEZDM-INIZCTEOSA-N 434.583 3.847 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)CCc2ccc(S(=O)(=O)NCC)cc2)cc1 408584751 UNGNGGXCYMRCHH-UHFFFAOYSA-N 432.542 3.513 0 40 IHAB COc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1S(=O)(=O)NC1CCCCC1 408680488 ZIUGHTHPDYAYTK-UHFFFAOYSA-N 445.541 3.517 0 40 IHAB C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408704938 VZDITECPZRJNLM-LLVKDONJSA-N 445.324 3.558 0 40 IHAB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Cl)c(O)c(Cl)c2)C1=O 409236827 HSWOBPIVSXAOOU-CXUHLZMHSA-N 434.279 3.793 0 40 IHAB O=C(c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)CC1 515082423 NRMFJSSIBFBAEJ-UHFFFAOYSA-N 436.508 3.544 0 40 IHAB O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)NCCSc1ccccc1 524732334 MYJAQEGVCJPMKA-HSZRJFAPSA-N 443.528 3.710 0 40 IHAB CC[C@H](C)[C@@H]1NC(=O)C2(CCCCOCCCNC1=O)CCN(CC1CCCCC1)CC2 643581534 LKRUEDSWNZBRRQ-GMAHTHKFSA-N 449.680 3.887 0 40 IHAB Cc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)NC(=O)c1ccccc1 1097709 JMMOOXSVQXTIQC-UHFFFAOYSA-N 449.937 3.600 0 40 IHAB Cc1cccc2cc(CN(Cc3cccnc3)C(=O)COc3ccccc3)c3nnnn3c12 1376858 DHJYLWPHDPHXFK-UHFFFAOYSA-N 438.491 3.589 0 40 IHAB CCOC(=O)c1sc(NC(=S)NC(=O)/C=C/c2ccccc2)c(C(=O)OCC)c1C 1879910 ZJUWYDNMXFQWRL-VAWYXSNFSA-N 446.550 3.936 0 40 IHAB CCOc1ccc2nc(N[C@](NC(=O)CC(C)C)(C(=O)OC)C(F)(F)F)sc2c1 2050517 NDTWSNGUYGCVNQ-QGZVFWFLSA-N 433.452 3.701 0 40 IHAB O=C(CSc1nnc(-c2ccccn2)n1Cc1ccco1)Nc1ccc(F)c(F)c1 2403956 FRXPGTINIQJCAB-UHFFFAOYSA-N 427.436 3.990 0 40 IHAB COC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cccc(O)c2)nc1C 3643321 UDGAKOZJVNNGPV-KRWDZBQOSA-N 448.456 3.800 0 40 IHAB CC1CCN(C(=O)Cn2c(SCC(=O)N3CCCC[C@H]3C)nc3ccccc32)CC1 4859188 IGCCJHZRXYDCFZ-GOSISDBHSA-N 428.602 3.788 0 40 IHAB CCOc1cc(Br)c(/C=c2/sc3nc4ccccc4n3c2=O)cc1OC 8439293 CQLCVRCLNHUTFO-RQZCQDPDSA-N 431.311 3.627 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(=O)n(Cc2csc(-c3ccc(Cl)cc3)n2)c1 8735606 ODEDNXCQCWGJSG-UHFFFAOYSA-N 437.974 3.704 0 40 IHAB O=C(CSc1nnc(N2CCOCC2)n1-c1ccccc1)N(C1=CCCCC1)C1CC1 8747558 SYYVTNJYWSXHLE-UHFFFAOYSA-N 439.585 3.645 0 40 IHAB Cc1c(OCC(=O)NC[C@@H](O)c2ccccc2)ccc2c(-c3ccccc3)cc(=O)oc12 8790189 ZQRCQEQCXIFPQX-JOCHJYFZSA-N 429.472 3.997 0 40 IHAB biogenic CCOC(=O)C1=C(N)Oc2cc(C)oc(=O)c2[C@H]1c1ccc(OCc2ccccc2)cc1 8925988 GFWXYXJMEHIBRN-HXUWFJFHSA-N 433.460 3.785 0 40 IHAB O=c1[nH]c2ccccc2cc1CN(Cc1cccnc1)S(=O)(=O)c1ccc(Cl)cc1 9448757 NPMJXJQTDGWILP-UHFFFAOYSA-N 439.924 3.968 0 40 IHAB Cc1cccn2c(=O)c3cc(C(=O)NCCCOC(C)C)n(Cc4ccccc4)c3nc12 9510845 FUTOJBMULYHVIH-UHFFFAOYSA-N 432.524 3.551 0 40 IHAB Cc1ccc(NC(=O)CN(C)C(=O)COc2cc3oc(=O)cc(C)c3cc2Cl)cc1 9704073 BMEADLZCLPEFBN-UHFFFAOYSA-N 428.872 3.539 0 40 IHAB O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)[C@@H]1COc2ccc(Cl)cc2C1 9872174 PXNXQKOZQLGZPV-AWEZNQCLSA-N 429.929 3.976 0 40 IHAB CCOc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(-c3ccc(Cl)cc3Cl)nc21 10188011 ZCXOTONEFJPOPG-UHFFFAOYSA-N 444.278 3.580 0 40 IHAB CCOc1ccc([C@@H]2[C@H](C(=O)Nc3ccc(Cl)cc3)[C@@H](C)Nc3ncnn32)cc1OC 11694904 QXSDTSZGRXHZRE-SMHULIPUSA-N 441.919 3.997 0 40 IHAB CCCCN(C)C(=O)Cn1c([C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)nc2ccccc21 12062090 QSCGUBZRZASQRK-GOSISDBHSA-N 434.540 3.824 0 40 IHAB CCn1c(=O)oc2cc(S(=O)(=O)N[C@@H](Cc3ccsc3)c3ncccc3C)ccc21 12229694 SEPFFKWKSGDNJT-KRWDZBQOSA-N 443.550 3.642 0 40 IHAB C[C@H](Sc1nnc(Cc2cccs2)n1-c1ccccc1)C(=O)NC[C@@H]1CCCO1 12512405 KKKCJSIQZGOHHW-RDJZCZTQSA-N 428.583 3.695 0 40 IHAB Cn1cnnc1SCC(=O)Nc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1 12907159 FHGGARXPRNLPFO-UHFFFAOYSA-N 435.431 3.817 0 40 IHAB C[C@H]1CN(Cc2csc(NC(=O)c3ccc(Br)cc3F)n2)C[C@@H](C)O1 12978070 CCOVKWRWRBMQSV-PHIMTYICSA-N 428.327 3.906 0 40 IHAB NC(=O)[C@H]1Cc2ccccc2CN1C(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1 12995075 VVEOUTMTSZUYGD-KVACCUTFSA-N 448.526 3.991 0 40 IHAB Cc1nn(-c2ccc(N3CCN(C(=O)c4cccc5ccccc45)CC3)nn2)c(C)c1C 13008996 GZLSUSLNYOSXTC-UHFFFAOYSA-N 426.524 3.703 0 40 IHAB CCC(CC)C(=O)N1CCC(c2nc(O)c3nnn(Cc4cccc(Cl)c4)c3n2)CC1 13083108 CRPURNLKFOTACX-UHFFFAOYSA-N 442.951 3.771 0 40 IHAB Cc1ccc([C@H](c2nnnn2C2CCCCC2)N2CCN(C(=O)c3ccco3)CC2)cc1 13503729 QGZAJPICXKYPFR-JOCHJYFZSA-N 434.544 3.627 0 40 IHAB Cc1ccc(C)c(NC(=O)CSC(=S)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c1 13572366 KACSQVBBBDLRDB-SJORKVTESA-N 427.595 3.541 0 40 IHAB CCCCOC(=O)c1ccc(N2C(=O)C[C@@H](NCCc3c[nH]c4ccccc34)C2=O)cc1 14671968 DPBZWGLQQUZBTA-JOCHJYFZSA-N 433.508 3.589 0 40 IHAB Cc1ccc2nc(COc3ccccc3NC(=O)Nc3ccc4c(c3)OCO4)cc(=O)n2c1 15865503 GIMDBOKGCSDDIM-UHFFFAOYSA-N 444.447 3.955 0 40 IHAB COC(=O)c1ccc(NC(=O)c2cccn(Cc3cccc(C(F)(F)F)c3)c2=O)cc1 15882811 WGYHZELVMQHDGZ-UHFFFAOYSA-N 430.382 3.954 0 40 IHAB O=S(=O)(Nc1cccc(I)c1)c1cccc(Br)c1 16130822 HIRMXDWDZJQNAG-UHFFFAOYSA-N 438.084 3.855 0 40 IHAB COc1ccc(Cl)cc1NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1 16227003 GDVZBKLQPBYCSK-UHFFFAOYSA-N 438.933 3.541 0 40 IHAB CCc1nnc(NC(=O)CSc2nnc(-c3cc4ccccc4cc3O)n2CC)s1 18130032 KDFVAJXKWGYHSL-UHFFFAOYSA-N 440.554 3.969 0 40 IHAB COc1ccc(-c2noc([C@H]3CN(C(=O)c4ccc5nc(C)sc5c4)CCO3)n2)cc1 19286575 MPMRHGPPVKNQNM-GOSISDBHSA-N 436.493 3.877 0 40 IHAB CC(C)Nc1ncc(-c2ccncc2)c(C2CCN(C(=O)c3n[nH]cc3Cl)CC2)n1 19450270 RZBPXFBHOUCEBB-UHFFFAOYSA-N 425.924 3.755 0 40 IHAB CCCN1CCN(C(=O)c2cc[nH]n2)C[C@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 19502746 ZANUNLGMQVPWTO-FQEVSTJZSA-N 434.515 3.769 0 40 IHAB COc1ccccc1C(=O)N1CCNC(=O)[C@@H](Cc2ccc(-c3ccccc3F)cc2)C1 19568800 LYLVCLNUQVODDE-FQEVSTJZSA-N 432.495 3.932 0 40 IHAB COc1cccc(OC)c1C(=O)N1CCC[C@@H](c2cc(N(C)C)nc(-c3cccnc3)n2)C1 19584384 KATAAQBFRJRORU-GOSISDBHSA-N 447.539 3.642 0 40 IHAB CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN2C(=O)c2ccc(=O)n(C)c2)n1 19690096 RJRVMBXHVBWEAR-IBGZPJMESA-N 437.931 3.539 0 40 IHAB C[C@@]12CCN(C(=O)c3ccc(-n4cccn4)nc3)[C@@H]1CCCCC(=O)N2Cc1ccccc1 19713409 STIXJYLEFHMDLV-ATIYNZHBSA-N 443.551 3.843 0 40 IHAB Cc1ccc(C)c([C@@H]2CCCN2C(=O)c2cccn(CC(=O)NC3CCCCC3)c2=O)c1 19750047 SPPGRTNLLMZSEA-QHCPKHFHSA-N 435.568 3.891 0 40 IHAB COCCC(=O)N1CCCC[C@H]1c1nc(C)c2c(n1)N(Cc1cccc(F)c1)CCC2 19752546 VAVPMJICHQQMGS-NRFANRHFSA-N 426.536 3.967 0 40 IHAB CCCc1nn2c(=O)cc(COc3cccc(NC(=O)c4cccs4)c3)nc2s1 20859459 UQNHKBVHMFQICC-UHFFFAOYSA-N 426.523 3.996 0 40 IHAB CC(C)c1ccc(-c2noc(COC(=O)CCn3nc(-c4cccs4)oc3=O)n2)cc1 21738638 FCGSMQVTSKVGFH-UHFFFAOYSA-N 440.481 3.872 0 40 IHAB CC(C)NS(=O)(=O)c1ccc(CCNC(=O)C(c2ccccc2)c2ccccc2)cc1 22226899 QBJFQVCBJFLAHW-UHFFFAOYSA-N 436.577 3.864 0 40 IHAB COc1cc(C(=O)Nc2cc(Cl)ccc2Cl)c(N(C)S(C)(=O)=O)cc1OC 22251278 RTTFWZSRERRKJW-UHFFFAOYSA-N 433.313 3.659 0 40 IHAB CCCCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OCC)c(Cl)c1 22269283 BOUVEACLIJBSHV-IBGZPJMESA-N 438.977 3.545 0 40 IHAB Cc1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3cccnc3)c3nc4ccccc4n32)c(F)c1 23411341 IGOLCCRARKJPBP-OAQYLSRUSA-N 429.455 3.996 0 40 IHAB O=C(NCCc1ccccc1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 24871571 RDEMVTZFMSMIHI-JOCHJYFZSA-N 441.531 3.646 0 40 IHAB O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccccc1C(=O)c1ccccc1 25326252 ZMCBSWPSNRBEBE-DEOSSOPVSA-N 432.495 3.860 0 40 IHAB COc1cc(Br)c(OC)c(C(=O)NCc2ccc(Cn3ccnc3)cc2)c1 30217578 VUADJQNEJSODKB-UHFFFAOYSA-N 430.302 3.641 0 40 IHAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)[C@H]1CCCN(C(=O)c2ccoc2)C1 30618304 LFBVYBRIIKBTCZ-SFHVURJKSA-N 433.512 3.755 0 40 IHAB C[C@H](Sc1ccc(S(=O)(=O)N2CCCCC2)cn1)C(=O)c1ccc(F)c(F)c1 31746869 YJHOCTDVEXFOIC-ZDUSSCGKSA-N 426.510 3.898 0 40 IHAB Cc1cc(I)cnc1NC(=S)NC(=O)c1cc2ccccc2o1 32125105 FGKADKPLOGGDLD-UHFFFAOYSA-N 437.262 3.868 0 40 IHAB Cc1cccc(C)c1NC(=O)CCc1nc(CSc2nc(-c3cccnc3)n[nH]2)no1 33271040 DOVXAALTRRNYQD-UHFFFAOYSA-N 435.513 3.730 0 40 IHAB COC(=O)c1ccc(C)c(NC(=O)N2CCc3[nH]cnc3[C@@H]2c2cccc(F)c2F)c1 40284835 AHKFQSQVYSIKIF-FQEVSTJZSA-N 426.423 3.963 0 40 IHAB CC[C@H](NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1)c1ccc(C)c(C)c1 44856581 VTKDZXCPJCFAPT-FXAWDEMLSA-N 436.961 3.751 0 40 IHAB CCNC(=O)[C@H]1CCCN(C(=O)/C=C/c2cn(Cc3ccccc3)nc2-c2ccccc2)C1 58138319 YLTUFFHWLGVHLQ-QDEBQFNMSA-N 442.563 3.986 0 40 IHAB CCN(CC)C[C@@H](C)NC(=O)Nc1ccc(C)c(NC(=O)N[C@H](C)CN(CC)CC)c1 58162687 SLBIOVTZRCSDQC-RTBURBONSA-N 434.629 3.699 0 40 IHAB COc1ccc([C@@H](NC(=O)NCCS(=O)(=O)Cc2ccccc2)c2ccccc2)cc1 58203121 AHBLLUMPCJMJII-QHCPKHFHSA-N 438.549 3.699 0 40 IHAB C[C@@H]1CN(C(C)(C)CNC(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)C[C@@H](C)O1 69979777 JSNJXZZIQASQMR-IAGOWNOFSA-N 439.585 3.613 0 40 IHAB CC(C)N1C(=O)[C@]2(CC(O)=Nc3c2c(=O)[nH]n3C(C)C)c2cc(Br)ccc21 71279353 IZVAIEZUKJOIDO-LJQANCHMSA-N 433.306 3.553 0 40 IHAB COc1cc2c(cc1OC)[C@@H]1c3ccccc3N(CC(=O)N3CCCC[C@H]3C)C(=O)N1CC2 72342049 AKWSFBXTLTWRBN-NSYGIPOTSA-N 449.551 3.992 0 40 IHAB Cn1cc(C(=O)NCc2ccc(F)cc2)c(CC2CCN(C(=O)CC3CCCC3)CC2)n1 72352146 GUUIUQQPAIJPFV-UHFFFAOYSA-N 440.563 3.851 0 40 IHAB CC[C@@H](Oc1ccccc1OC)C(=O)N1CCC[C@@H](c2cc(C(F)F)n3ncnc3n2)C1 72395374 XJEZBSOFDJVJCY-RHSMWYFYSA-N 445.470 3.634 0 40 IHAB COc1ccc(CCNc2ccc(NC(=O)CCCNC(=O)OC(C)(C)C)cn2)cc1 73658904 NOSYMUMYDSINEJ-UHFFFAOYSA-N 428.533 3.988 0 40 IHAB O=C(NC1(c2noc([C@H]3CCCO3)n2)CCCCCC1)c1cc2c([nH]c1=O)CCCCC2 89764859 XCIWKHAJFXTHFM-LJQANCHMSA-N 440.544 3.858 0 40 IHAB COc1ccc(-c2cc(N3CCC(NC(=O)c4ccc(OC)c(OC)c4)CC3)[nH]n2)cc1 98212757 OBYBZJXXHZKTCV-UHFFFAOYSA-N 436.512 3.501 0 40 IHAB CCOc1cccc(CNC(=O)CCCN(c2cccc(Cl)c2C)S(C)(=O)=O)c1 113965203 QWEVULVSDCSHFY-UHFFFAOYSA-N 438.977 3.910 0 40 IHAB CC(=O)c1ccc(N2CCN(C(=O)CSc3nc4ccc(N)cc4s3)CC2)cc1 215754112 SMKVEWHVRWXWBM-UHFFFAOYSA-N 426.567 3.522 0 40 IHAB CC[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N(c1ccc(OC)cc1)S(C)(=O)=O 220639126 YNYYKCRCWNGLNR-QGZVFWFLSA-N 430.448 3.897 0 40 IHAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(Br)cc3F)c(C)cc21 223355189 ZUSPRWVJIMBJGV-UHFFFAOYSA-N 429.267 3.625 0 40 IHAB CCSc1ccccc1C(=O)N1CCC(Cc2n[nH]c(=O)n2-c2ccccc2F)CC1 225544176 VIXFCHNXBIKVHX-UHFFFAOYSA-N 440.544 3.907 0 40 IHAB S=C(NCc1ccco1)Nc1nc(Cl)cc(N2CCN(c3ccccc3)CC2)n1 225913966 QMZKUSKLWXJHLU-UHFFFAOYSA-N 428.949 3.536 0 40 IHAB O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=NN12 247798868 DUBAAHJGMOUHKK-LUKWVAJMSA-N 439.446 3.587 0 40 IHAB COc1ccc2c(c1Oc1nnnn1-c1ccccc1)[C@@]13C=CC=C[C@H]1[C@@H](C2)N(C)CC3 253504732 LESJUFQCEZICRC-WZOHSFFVSA-N 427.508 3.703 0 40 IHAB biogenic,in-vitro C/C=C/C=C/C=C\[C@H](O)[C@H](C)[C@H](CC[C@H](C)[C@@H]1OC(=O)C=C[C@H]1C)OP(=O)(O)O 255995164 PQNNIEWMPIULRS-NZMDBXKESA-N 428.462 3.684 0 40 IHAB COc1cccc(Cc2cc(C)nc([C@@H]3CN(C(=O)Cc4csc(C)n4)CCO3)c2)c1 257241827 HZTXEZJMMDYRND-QHCPKHFHSA-N 437.565 3.897 0 40 IHAB CCc1nnc(Nc2cc(C)nc([C@H]3CN(C(=O)COc4ccccc4)CCO3)c2)s1 257242488 ICTLRJVZKRCDIE-LJQANCHMSA-N 439.541 3.526 0 40 IHAB c1ccc(OCCN2CCCC2)c(CN2CCOC[C@@H](Cc3nccn4cccc34)C2)c1 257256228 KKNRHPSMESEIHN-QFIPXVFZSA-N 434.584 3.500 0 40 IHAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)N3c4ccccc4C[C@@H]3C)C2)c(C)c1 260736985 JNRMHUSGYJCYDF-FPOVZHCZSA-N 426.582 3.990 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl 408608905 QIIAYNCBWMSQIM-SECBINFHSA-N 437.732 3.961 0 40 IHAB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3cccs3)C(=O)c3ccccc3Cl)C(=O)[C@H]2C1 408647566 JLTDXUGYTVWSIG-ZBFHGGJFSA-N 442.924 3.983 0 40 IHAB COC(=O)CN1C(=S)N(C)C(=O)/C1=C/c1ccc(-c2ccc(Br)c(C)c2)o1 409143948 OQKOCLHAXJXDJE-DHDCSXOGSA-N 449.326 3.590 0 40 IHAB COc1cc([C@H](CC(=O)NCc2cccc3[nH]ccc23)c2oc(C)cc(=O)c2O)ccc1O 524730479 KRMMQXPPACUVJQ-SFHVURJKSA-N 448.475 3.688 0 40 IHAB biogenic C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N1CC=C(c2c[nH]c3ncccc23)CC1 533022175 MOGFJQXBTUQWPO-QGZVFWFLSA-N 429.524 3.806 0 40 IHAB O=C(N[C@H]1CC[C@H](NC(=O)N2CCc3ccccc3C2)CC1)N1CCc2ccccc2C1 574147141 UICAFEFUZJCBFD-RQNOJGIXSA-N 432.568 3.833 0 40 IHAB O=C(Nc1ccc(C(=O)N2CCC[C@]3(CCN3c3ccc4nccnc4c3)C2)cc1)C1CC1 585101721 BLXFOOBHCGBQAE-SANMLTNESA-N 441.535 3.863 0 40 IHAB O=C(CC1CCOCC1)N[C@@H]1c2ccccc2[C@@H]2CN(CCOc3cccc(F)c3)C[C@H]12 585109755 PORFLIIDFAHUCC-KYPHJKQUSA-N 438.543 3.908 0 40 IHAB CCN1CCN(C(=O)c2cnc(C)nc2C)[C@H](Cc2ccccc2-c2ccc(F)cc2)C1=O 585169008 LPBZRLCYTLPSJB-XMMPIXPASA-N 446.526 3.815 0 40 IHAB C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)N1CCN(C(=O)c2cccc(O)c2)CC1 590506591 HAFKWIUXBNJHEW-FQEVSTJZSA-N 444.531 3.735 0 40 IHAB O=C(c1ccc2c(c1)Cc1cccc(c1)CN(CC1CC1)CCCCCO2)N1CC(O)C1 643579620 DQMTXPFFEOBSMM-UHFFFAOYSA-N 434.580 3.869 0 40 IHAB O=S(=O)(c1ccccc1)c1nc(-c2ccc(Br)cc2)oc1N1CCOCC1 787806 GWHHGKJMBKJKRN-UHFFFAOYSA-N 449.326 3.774 0 40 IHAB O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)N1CC[C@]2(O)CCCC[C@@H]2C1 2110705 GLMODHLCNVGQDF-NIYFSFCBSA-N 433.504 3.992 0 40 IHAB biogenic O=C(CSc1nnc(-c2cnccn2)n1Cc1ccco1)Nc1ccc(Cl)cc1 2409506 UGJAKTYBVXYWND-UHFFFAOYSA-N 426.889 3.761 0 40 IHAB O=S(=O)(c1ccc(Br)cc1)N1CCN=C1SCc1ccccc1F 2711736 CGZHQVABPDZPRV-UHFFFAOYSA-N 429.336 3.882 0 40 IHAB CCOC(=O)c1[nH]c(C)c(C(=O)O[C@@H](C)C(=O)Nc2ncc(Cl)cc2Cl)c1C 3306220 MBBJSPOZIYCHNF-JTQLQIEISA-N 428.272 3.694 0 40 IHAB O=C(CSc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12)NCc1cccs1 3590520 IACIAPQFCPGYOQ-UHFFFAOYSA-N 447.545 3.503 0 40 IHAB Cc1csc2nc(COC(=O)c3ccccc3NC(=O)c3ccc(F)cc3)cc(=O)n12 8607037 CHMJWYRTDCYWGB-UHFFFAOYSA-N 437.452 3.813 0 40 IHAB CCCCCC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)cc1 8966002 WQVUMJWWRMDRCY-VWLOTQADSA-N 449.507 3.618 0 40 IHAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 9126373 XUTMYPQORBQNIW-SFHVURJKSA-N 427.932 3.564 0 40 IHAB COc1cccc(CNC(=O)COC(=O)/C=C/c2c(C)nn(-c3ccc(F)cc3)c2C)c1 9254916 WMSCCTNLKYOVLP-VAWYXSNFSA-N 437.471 3.510 0 40 IHAB CC(C)n1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1ccccc1F 9263998 AYKJOHSTTDMJJL-UHFFFAOYSA-N 445.495 3.798 0 40 IHAB CCn1c(COc2ccccc2OC)nnc1S[C@@H](C)C(=O)Nc1nc(C)cs1 9302832 MWYCUJPRCNUNML-ZDUSSCGKSA-N 433.559 3.770 0 40 IHAB Cc1cc(NC(=O)CCCNC(=O)N2CC(=O)Nc3ccccc32)ccc1Br 9340389 XDVAVVQHWWZFRW-UHFFFAOYSA-N 445.317 3.645 0 40 IHAB C[C@H](OC(=O)CCc1nc2ccccc2[nH]c1=O)C(=O)Nc1cccc(Cl)c1Cl 9372963 XWYALLCJQMKCJX-NSHDSACASA-N 434.279 3.733 0 40 IHAB CS(=O)(=O)Nc1ccc(C2=NN(C(=O)c3ccco3)[C@H](c3ccccc3F)C2)cc1 9392147 DZSLYVYLKSVYTN-IBGZPJMESA-N 427.457 3.782 0 40 IHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(OCc2cc(=O)n3ccsc3n2)cc1 9449557 XBSFURXPIZBAHN-UHFFFAOYSA-N 441.534 3.550 0 40 IHAB C[C@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)N(C)Cc1ccccc1N1CCCCC1 9593348 HNLXBKGENBJWBI-MRXNPFEDSA-N 440.613 3.785 0 40 IHAB CC(=O)Nc1cccc(NC(=O)[C@H](C)Sc2nc3sc4c(c3c(=O)[nH]2)CCCC4)c1 10135255 QZTLVBQUXVFFLX-NSHDSACASA-N 442.566 3.941 0 40 IHAB CC[C@@H](NC(=O)COC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)c1ccc(Br)cc1 11132878 UQQHUTPMDSWYPT-IXEWLPCDSA-N 436.346 3.955 0 40 IHAB CS(=O)(=O)N1CCc2cc(C(=O)Nc3ccc(SCc4cccnc4)cc3)ccc21 11598561 KKLGYPUICUAMSQ-UHFFFAOYSA-N 439.562 3.948 0 40 IHAB O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 12522718 LSLSSNRTTHBCGM-HOTGVXAUSA-N 435.446 3.585 0 40 IHAB COc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc([C@H](C)O)cc3)cc2)cc1 12557112 SRMYGABNNCVRAC-HNNXBMFYSA-N 426.494 3.802 0 40 IHAB CCOCCCNC(=O)Cc1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 12584551 NJMHAQDAKOKIJF-UHFFFAOYSA-N 445.368 3.880 0 40 IHAB COc1ccccc1NC(=O)c1ccc(N[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)cc1 12638928 YGRKXGQUTNBURX-MRXNPFEDSA-N 447.491 3.793 0 40 IHAB COc1ccc([C@H](CNC(=O)COc2ccccc2C(N)=O)c2c[nH]c3ccccc23)cc1 12747429 AYDMCYKVFJFOEI-NRFANRHFSA-N 443.503 3.603 0 40 IHAB CN(CC(=O)Nc1ncc(Cc2ccc(Br)cc2)s1)C(=O)c1ccco1 12859127 JTEOLFWTHFRDHE-UHFFFAOYSA-N 434.315 3.800 0 40 IHAB C[C@H](NC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2C)c1ccc(Cl)cc1Cl 12891049 VKQXRROIIMVFEN-QKVFXAPYSA-N 432.307 3.780 0 40 IHAB CC(C)CCNC(=O)[C@H](c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1 13031508 FTBCYIZILQSGSY-DEOSSOPVSA-N 445.523 3.961 0 40 IHAB CCCCC(=O)N1CCC(c2nc(O)c3nnn(Cc4cccc(Cl)c4)c3n2)CC1 13083111 CGSMYWKCESJPSX-UHFFFAOYSA-N 428.924 3.525 0 40 IHAB CCCN(C(=O)c1ccc(Cl)c(Cl)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 13134334 OLMJPTLLZWYVDC-UHFFFAOYSA-N 447.322 3.531 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)cc1 13625264 KLQRRPYLNZSLCO-KRWDZBQOSA-N 429.325 3.794 0 40 IHAB CC[C@H](C(=O)N1CCN(c2cccc(C)c2C)CC1)N(c1ccc(C)cc1)S(C)(=O)=O 13713914 BGSACFGXBPTBKD-JOCHJYFZSA-N 443.613 3.505 0 40 IHAB CCN(CC)C(=O)c1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)cc1 14068776 APBRYQNAYRRBLH-IBGZPJMESA-N 425.504 3.799 0 40 IHAB CCN(CC)CCn1c(NC(=O)c2ccc(OCC(F)(F)F)nc2)nc2ccccc21 14509690 JZFTZGQJPBQXQU-UHFFFAOYSA-N 435.450 3.967 0 40 IHAB Cc1ccc(N2C(=O)C[C@@H](N3CCC(C(=O)Nc4ccccc4)CC3)C2=O)cc1Cl 15470183 HBOVLPFFCDBZFD-HXUWFJFHSA-N 425.916 3.631 0 40 IHAB Cc1cc(-n2c(C)cc(C(=O)COC(=O)/C=C/c3cc(F)cc4c3OCOC4)c2C)no1 15513009 MMQPSZUFLZJJIT-SNAWJCMRSA-N 440.427 3.835 0 40 IHAB Cc1nc(-c2ccco2)cc([C@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)c2ccc(N(C)C)cc2)n1 15672574 RLEVFZZMNKICOV-NNWRFLSQSA-N 445.567 3.719 0 40 IHAB biogenic,in-vitro O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cc(=O)c2cc(Br)ccc2o1 15859895 WNMWXEVWBYXTEA-HNNXBMFYSA-N 431.286 3.715 0 40 IHAB CCn1c2ccccc2c2cc(NC(=O)[C@H](C)N3CCN(c4ncccn4)CC3)ccc21 16483367 BUAATYAYELYSLN-SFHVURJKSA-N 428.540 3.754 0 40 IHAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(Cl)c2C)cc1Cl 16692724 ANSFANKNZDBMRO-UHFFFAOYSA-N 431.341 3.960 0 40 IHAB COc1ccc(-c2csc(NC(=S)NC(=O)c3ccc4c(c3)OCCO4)n2)cc1 17095433 QGNJZHSPOBCWBF-UHFFFAOYSA-N 427.507 3.717 0 40 IHAB COC(=O)c1ccccc1NC(=S)NC(=O)c1cc(Br)cc(C)c1OC 17101140 HAYAPGDLEAURNN-UHFFFAOYSA-N 437.315 3.680 0 40 IHAB CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(OC)cccc3s2)cc1 17270192 LCMUNQYVVRKYHB-UHFFFAOYSA-N 433.555 3.978 0 40 IHAB COc1ccc2c(c1)c([C@@H](O)CN1CCC3(CC1)C[C@H](O)c1ccccc1O3)c(C)n2C 19581543 LWWKYMNXUATLNO-GOTSBHOMSA-N 436.552 3.879 0 40 IHAB CNc1cc([C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(OC)nc2)nc(C2CC2)n1 19592116 UWNQDISOMUWYCA-FQEVSTJZSA-N 442.523 3.994 0 40 IHAB CN(C)c1ncc(-c2cccc(C(N)=O)c2)c(C2CCN(C(=O)CCC3CCCC3)CC2)n1 19695205 CKNKTTFAJIRPHC-UHFFFAOYSA-N 449.599 3.985 0 40 IHAB CCN(CC(=O)N1CCCC1)[C@@H]1CCO[C@H](c2ccc(C(=O)Nc3nccs3)cc2)C1 19712666 OKYGRAKKPIQQPY-UXHICEINSA-N 442.585 3.560 0 40 IHAB COc1ccc([C@H](C)NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 20111513 DPRYFNADWORAPZ-LBPRGKRZSA-N 431.341 3.645 0 40 IHAB Clc1ccc(-n2c(Sc3ccc4nnnn4n3)nnc2-c2cccnc2)cc1Cl 22202809 PINWYKQTUIWQCZ-UHFFFAOYSA-N 442.295 3.620 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)N(C)c2ccccc2)Cc2ccc(F)cc2)cc1 22352131 RDIJXZXAWKLWPN-UHFFFAOYSA-N 426.513 3.988 0 40 IHAB C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(F)c2)C1=O)c1ccc2ccccc2c1 23883493 MFJMITLALOOXQV-SHACYNPGSA-N 437.446 3.762 0 40 IHAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COc1ccccc1C(=O)NCc1ccccc1 24927311 XDJHRTHNJNYQAS-UHFFFAOYSA-N 434.492 4.000 0 40 IHAB CC1CCC(NC(=O)C2CCN(S(=O)(=O)c3cccc(OC(F)(F)F)c3)CC2)CC1 24989673 XYBFNYZSYQQRME-UHFFFAOYSA-N 448.507 3.681 0 40 IHAB O=C(CCCSc1nnc(N2CCOCC2)n1Cc1ccccc1)c1cccs1 26681377 HRYZTQFABPNJEU-UHFFFAOYSA-N 428.583 3.980 0 40 IHAB COc1ccc(C(=O)Nc2nnc(S(=O)(=O)Cc3ccccc3C)s2)cc1Cl 27742608 WWMBHYODGYMDHP-UHFFFAOYSA-N 437.930 3.735 0 40 IHAB Cc1cc2oc(C(=O)NC[C@H](c3cccs3)N3CCOCC3)cc(=O)c2cc1Cl 28289056 ZAULOWIMIIVQNU-MRXNPFEDSA-N 432.929 3.620 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1C 32587882 OLUNSDXIOATRDQ-UHFFFAOYSA-N 432.523 3.605 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N[C@@H](C)c2ccc(F)c(F)c2)cc1 32862928 UFTOOKVUQNVOQT-AWEZNQCLSA-N 425.501 3.556 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccccc1)c1ccc(F)cc1 33657730 RWVZEGAYDPYWQX-UHFFFAOYSA-N 428.485 3.977 0 40 IHAB O=C(CCn1nc(-c2ccc(F)cc2)ccc1=O)NCc1ccc(Br)cc1 41254594 XDLRGBOIARSWGA-UHFFFAOYSA-N 430.277 3.518 0 40 IHAB Cc1cc(=O)n(CC(=O)Nc2ccccc2C(F)(F)F)c(N2CCc3ccccc3C2)n1 57506447 QOOOENSQHUOKHT-UHFFFAOYSA-N 442.441 3.772 0 40 IHAB CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)/C=C/c2ccc3c(c2)OCO3)CC1 58150994 WUXGMAPRIXVLEN-MPNRVQBSSA-N 425.504 3.587 0 40 IHAB CCN(CCNC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)C(=O)OC(C)(C)C 58307504 JZQXQXOKNDAVTL-HZPDHXFCSA-N 438.544 3.818 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)NC[C@@H](C)N3CCC(C)CC3)c2)c1 60156562 BSMWRQOIBUXZLF-HXUWFJFHSA-N 443.613 3.954 0 40 IHAB Cc1cc(-c2cc(=O)n(CC(=O)NCC[C@@H](C)c3ccco3)nc2-c2cccs2)on1 72337299 SQKHSYVQLCRSTF-CQSZACIVSA-N 438.509 3.838 0 40 IHAB CC(C)C(=O)N1CCCC[C@@H]1c1nnc(C2CCN(Cc3cccnc3N(C)C)CC2)o1 72344933 VBHWZOLFZBNCFX-HXUWFJFHSA-N 440.592 3.620 0 40 IHAB COc1ccc(CC(=O)N2CCN(C)C(=O)[C@H]2Cc2ccccc2-c2ccncc2)cc1C 72351332 MXROVCZJUXXNSG-XMMPIXPASA-N 443.547 3.520 0 40 IHAB COCCNC(=O)c1sc2ccccc2c1[C@H]1CCN(C(=O)c2cc(C3CC3)on2)C1 72352479 LLRVMQDMFDOKOZ-HNNXBMFYSA-N 439.537 3.773 0 40 IHAB Cc1nc(CN(C)C(=O)CCn2cnc3ccccc32)nc2c1CCC(=O)N2CCC(C)C 72370993 YSZJDMAPRICBHH-UHFFFAOYSA-N 448.571 3.509 0 40 IHAB Cc1cccc(C2(CNc3cc(COc4ccccn4)nc(N(C)C)n3)CCOCC2)c1 72373184 JAVAJDAIUUFDEU-UHFFFAOYSA-N 433.556 3.985 0 40 IHAB Cc1ccc(CS(=O)(=O)N2CCC[C@@H](c3cc(Nc4cnccn4)cc(C)n3)C2)cc1 72375018 QTYVGHDRFYHJEI-HXUWFJFHSA-N 437.569 3.941 0 40 IHAB Cc1ccc2[nH]c(=O)c(CNc3ccc(N4CCN(c5ncccn5)CC4)cc3)cc2c1 72396132 OFVVLCOYUNWSQU-UHFFFAOYSA-N 426.524 3.565 0 40 IHAB CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CO)c1ccccc1 80356982 DFNGYJFFBFOERS-ZCYQVOJMSA-N 430.548 3.809 0 40 IHAB FC(F)(F)c1nc(NCC2(N3CCOCC3)CCCCC2)c2cc3c(cc2n1)OCO3 95948921 RDYZREIUPBJMTJ-UHFFFAOYSA-N 438.450 3.824 0 40 IHAB CCC(=O)N1CCCC[C@@H]1c1cc2nc3c(c(O)n2n1)CN(Cc1ccsc1)CC3 100233833 QGBJQVNCQQFEQL-LJQANCHMSA-N 425.558 3.518 0 40 IHAB CCc1ccccc1NC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 102086957 ZFTUXUTWXLINDE-IWGWFBSKSA-N 440.543 3.852 0 40 IHAB COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(C(=O)O)cc3)C2=O)cc1Cl 108925588 KZLAYTKDNSDEDX-PXNMLYILSA-N 446.868 3.722 0 40 IHAB CC(C)Oc1ccc(CCCNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 219977791 XRKPCRBGICUIQT-UHFFFAOYSA-N 430.570 3.621 0 40 IHAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1cccc2ccccc12 222895233 OSZULVVBKXKXPR-JOCHJYFZSA-N 426.538 3.709 0 40 IHAB COc1ccccc1[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 222912964 SIVPPWURXIOWRN-TZIWHRDSSA-N 444.597 3.547 0 40 IHAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 222927928 ZBZHVDIPKOXJEL-JOCHJYFZSA-N 444.597 3.981 0 40 IHAB CCOc1ccc(-c2noc(CNS(=O)(=O)c3ccc4cc(OC)ccc4c3)n2)cc1 223006255 BLTHQQVSUCCWIC-UHFFFAOYSA-N 439.493 3.776 0 40 IHAB CC[C@@H](C(=O)Nc1nnc(SC(C)C)s1)N(c1cc(C)cc(C)c1)S(C)(=O)=O 223479845 GYEHPEDQRKJQBX-HNNXBMFYSA-N 442.632 3.839 0 40 IHAB CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)NCCCc2cccc3ccccc23)s1 223962213 KFACOVHSOYVZEO-UHFFFAOYSA-N 432.571 3.587 0 40 IHAB CCOc1cccc(CNC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3F)c2)c1 224159895 RNAIDALQSPBOIO-UHFFFAOYSA-N 442.512 3.980 0 40 IHAB Fc1ccc(Cc2cccc([C@H]3CCCN(Cc4ccnc(N5CCOCC5)n4)C3)n2)cc1 257299501 RQIOOJKDTHAIRD-NRFANRHFSA-N 447.558 3.818 0 40 IHAB Cc1nc(CN2CCC[C@]3(CN(Cc4ccsc4)C[C@H]3c3ccnn3C)C2=O)cs1 306136094 PIVLIBVMCBJKOI-SIKLNZKXSA-N 441.626 3.655 0 40 IHAB Cc1cccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4C[C@H](C)CC[C@H]4C3=O)cc2)c1 408657802 HRNOUWQWEUCLSI-HBGVWJBISA-N 434.492 3.716 0 40 IHAB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2ccc(F)cc2)cc1 408977843 FXKOVYMLRUVECH-UHFFFAOYSA-N 442.512 3.706 0 40 IHAB Cc1ccccc1/C=[N+]1\NC(=O)[C@H](NC(=O)c2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1 409060334 PZJUTESUPJNIFR-VTPLCQIWSA-O 436.894 3.804 0 40 IHAB COc1cc(/C=C2/NC(=O)N(C)C2=O)c(Br)cc1OCc1cccc(F)c1 409191503 XRZAIMGABIKEOH-VIZOYTHASA-N 435.249 3.698 0 40 IHAB Cc1c(Cl)c(O)c(C/C=C(\CO)[C@H](O)C[C@@]2(C)[C@H](C)C(=O)CC[C@H]2C)c(O)c1C=O 514287892 HDMBFAOOJCPAHR-SOLRKFQYSA-N 438.948 3.726 0 40 IHAB biogenic,in-vitro COc1cccc(-c2ccc3c(c2)O[C@H]2CN(C(=O)NC4CCCCC4)C[C@H]2N(C)C3=O)c1 514288735 BEDYYBSKWABWEW-VWNXMTODSA-N 449.551 3.922 0 40 IHAB biogenic,in-vitro COc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)N2CCC[C@H](CC(=O)O)C2)cc1 532867480 PAVFUNOVVDDKPN-GOSISDBHSA-N 433.508 3.804 0 40 IHAB O=C(CCCCCC(=O)N1CCn2c1nc1ccccc12)N1CCn2c1nc1ccccc12 591776366 AJMGTWWKZDWVIZ-UHFFFAOYSA-N 442.523 3.730 0 40 IHAB Cc1nc(CNC(=O)c2ccc3c(c2)Cc2cccc(c2)CN(C)CCCCCO3)no1 643579648 GNGJTUOMDGWXLH-UHFFFAOYSA-N 434.540 3.893 0 40 IHAB O=C(CN1CCC[C@@](O)(COc2ccc(F)cc2)C1)Nc1cccc(C(F)(F)F)c1 2037916200 UTCSBPKGWBCRPP-FQEVSTJZSA-N 426.410 3.689 0 40 IHAB COc1ccc(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2cccc(C)c2)C3=O)cc1 990585 LOHYSBWNMLXHDY-UHFFFAOYSA-N 429.428 3.844 0 40 IHAB CNS(=O)(=O)c1cc(-c2nnc(Nc3ccc4c(c3)OCO4)c3ccccc23)ccc1C 1306880 YGSDQHAJSZKNPR-UHFFFAOYSA-N 448.504 3.986 0 40 IHAB COc1ccc(CCNC(=O)COC(=O)Cc2ccc(-c3ccccc3)cc2)cc1OC 3322111 GIFLODBIVYSOIA-UHFFFAOYSA-N 433.504 3.815 0 40 IHAB O=C(COC(=O)c1ccccc1C(=O)c1ccccc1)Nc1ncc(Br)s1 3340847 VXTWLAFZZXPCNX-UHFFFAOYSA-N 445.294 3.932 0 40 IHAB Cc1cc(C(=O)COC(=O)CCCN2C(=O)c3ccccc3C2=O)c(C)n1Cc1ccco1 3415729 WFXHMWQVKRWWJU-UHFFFAOYSA-N 448.475 3.549 0 40 IHAB C[C@H](C(=O)N1CCC(Cc2ccccc2)CC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 8936493 IXKZPWRJRYLCIO-HXUWFJFHSA-N 446.595 3.836 0 40 IHAB O=C1NC(=O)[C@@]2(Cc3cc4ccccc4nc3N3CCCC[C@H]32)C(=O)N1C1CCCCC1 9166823 LVGZWTUKNPJEAR-CPJSRVTESA-N 432.524 3.547 0 40 IHAB COc1cc(-c2nn3c(-c4cc(-c5ccccc5)n[nH]4)nnc3s2)cc(OC)c1OC 9292101 VVZGLXYUVSDVKP-UHFFFAOYSA-N 434.481 3.936 0 40 IHAB CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)Nc1nnc(C)s1 9304120 XPDYGVIZUGNNNU-SNVBAGLBSA-N 438.966 3.810 0 40 IHAB CCN1CCN(C(=S)c2ccc(OCC(=O)Nc3ccc(C)cc3)c(Cl)c2)CC1 9329189 XHAGAYZLMXAFFR-UHFFFAOYSA-N 431.989 3.979 0 40 IHAB COc1ccc(Oc2c(C)oc3cc(OCC(=O)NCc4ccncc4)ccc3c2=O)cc1 9423390 UMWSKMOXWVECPO-UHFFFAOYSA-N 446.459 3.993 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N1CC[C@@H]2CCCC[C@H]2C1 9532746 AINGYXCXHNPNST-OALUTQOASA-N 434.602 3.912 0 40 IHAB CC(=O)N(c1ccccc1)c1nc(COC(=O)C[C@@H]2Oc3ccccc3NC2=O)cs1 9669738 IMYSYFIYWRIZOD-IBGZPJMESA-N 437.477 3.661 0 40 IHAB O=C(COC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)Nc1ccc(F)cc1F 9702714 JFXJZDBUVCFXBX-UHFFFAOYSA-N 442.418 3.689 0 40 IHAB CCCCc1ccc(NC(=O)CSc2nc(=O)n(CCCN(C)C)c3c2CCC3)cc1 9745902 IZBWZKGTOLROFM-UHFFFAOYSA-N 442.629 3.757 0 40 IHAB CC(=O)c1cccc(NC(=O)CCc2ccc(S(=O)(=O)NCc3ccccc3)cc2)c1 9850707 LCXMKWAHNVYRHW-UHFFFAOYSA-N 436.533 3.939 0 40 IHAB CCOC(=O)c1cc(NC(=O)COc2cc(C)c(Cl)c(C)c2)ccc1N1CCOCC1 9907786 VVUMMNDLVRROSA-UHFFFAOYSA-N 446.931 3.988 0 40 IHAB COc1cc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc(OC)c1OC 10040645 LPMXDFYDLMZAIS-UHFFFAOYSA-N 432.432 3.765 0 40 IHAB COc1ccc(C)cc1NC(=O)Cn1nc(-c2ccc(Br)cc2)ccc1=O 10131940 GCIIYCFIAWSAHI-UHFFFAOYSA-N 428.286 3.629 0 40 IHAB COc1ccc(C(=O)NCC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)cc1OC 10291966 LZVIBIFFMKZANQ-OAQYLSRUSA-N 428.485 3.540 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc4ccc(C)cc4s3)CC2)cc1 10337634 KWGCXNCLPOGRRL-UHFFFAOYSA-N 445.566 3.653 0 40 IHAB CCc1ccc(S(=O)(=O)NCCCn2nc(-c3ccc(Cl)cc3)ccc2=O)s1 11738562 VDSKTHNEEVQXGK-UHFFFAOYSA-N 437.974 3.556 0 40 IHAB Cc1cccc(C(=O)N[C@H](C(=O)Nc2nc3cc4c(cc3s2)OCCO4)C(C)C)c1 11751625 MZKMRYSQHUCJKR-IBGZPJMESA-N 425.510 3.769 0 40 IHAB COc1ccc(C2(C(=O)N3CCC[C@@H]3Cn3nc(-c4cccs4)ccc3=O)CC2)cc1 12183886 ZPEMNFVCQKPUDT-GOSISDBHSA-N 435.549 3.703 0 40 IHAB C[C@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)N(C)Cc1ccc(F)c(F)c1 12764466 XTVQVKAQEWMKAE-LLVKDONJSA-N 427.373 3.789 0 40 IHAB O=C1C[C@H](C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)c2ccc(F)cc2N1 12826829 IUIDCNCYDYAZKN-KRWDZBQOSA-N 436.512 3.905 0 40 IHAB O=C1OCC2=C1[C@H](c1ccc3c(c1)OCO3)CC(=O)N2c1ccc(Br)cc1 13567545 ACERPDDXXVGVNO-AWEZNQCLSA-N 428.238 3.509 0 40 IHAB CCOC(=O)c1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)c1 13646207 LLGWKOXCDDPCJN-UHFFFAOYSA-N 444.553 3.989 0 40 IHAB O=C(c1ccc(Br)cc1)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 14198690 NSUGYCBOFXCDIR-UHFFFAOYSA-N 449.370 3.827 0 40 IHAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2cc(C3CC3)nc3onc(C)c23)c1C 14246843 VEABUFINKCJHJY-LBPRGKRZSA-N 425.441 3.568 0 40 IHAB O=C(CN1CCC(C(=O)Nc2ccccc2O)CC1)Nc1ccccc1SC(F)F 15044243 LOWXCXIUZSGLCW-UHFFFAOYSA-N 435.496 3.996 0 40 IHAB COc1cc(C(C)=O)ccc1OCC(=O)Nc1ccccc1I 15418068 QLMQWVQTROOHFT-UHFFFAOYSA-N 425.222 3.520 0 40 IHAB O=C(Nc1nncs1)c1ccc(-n2nnnc2SCc2ccc(Cl)cc2)cc1 15869170 LWOAJSNQBILNEZ-UHFFFAOYSA-N 429.918 3.712 0 40 IHAB CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(N2CCC[C@H](C)C2)s1 15943673 BJKBDPNXSFFLIP-HNNXBMFYSA-N 442.628 3.704 0 40 IHAB C[C@@H](NC(=O)c1ccc(NC(=O)CSc2nccn2C)cc1)c1ccc(F)c(F)c1 16488648 OEHRCUAPNZBUDY-CYBMUJFWSA-N 430.480 3.920 0 40 IHAB COC(=O)c1csc(N2N=C3CC[C@H](c4ccccc4)C[C@H]3[C@@]2(O)C(F)(F)F)n1 16957530 CRGDPZWFEPSJKV-VEVIJQCQSA-N 425.432 3.941 0 40 IHAB Cc1ccc(S(=O)(=O)N(C[C@@H](O)Cn2cnc3ccccc32)c2ccc(F)cc2)cc1 17043772 QXATXXJODSVBTF-FQEVSTJZSA-N 439.512 3.740 0 40 IHAB CC(C)C(=O)N1CCC(c2nc(O)cc([C@H]3CCCN(C(=O)CC4CCCC4)C3)n2)CC1 19085307 WTDBNLHQQVRNMB-FQEVSTJZSA-N 442.604 3.831 0 40 IHAB CNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CN(Cc2cccc(C)c2OC)CCO1 19235993 CKYDULYRNCTXEZ-HHHXNRCGSA-N 445.563 3.625 0 40 IHAB Cc1ccsc1CN1CCc2nc([C@H]3CCCN3C(=O)CC3CCCC3)[nH]c(=O)c2C1 19238678 DSKMGXOLGQEFCO-HXUWFJFHSA-N 440.613 3.942 0 40 IHAB CC(C)c1nc(N2CCC(NC(=O)c3cc(C4CC4)n[nH]3)CC2)ncc1-c1ccncc1 19451641 OFPXAYPQYXENJE-UHFFFAOYSA-N 431.544 3.661 0 40 IHAB CCN1CCN(C(=O)c2snnc2C)C[C@H](Cc2ccc(-c3cccs3)cc2)C1=O 19527423 UUEWQTGQIVTHSF-SFHVURJKSA-N 440.594 3.738 0 40 IHAB COc1cccc(CN2CC[C@@](Cc3cccc(-c4ccncc4)c3)(C(N)=O)C2)c1OC 19567580 JTXQHESMBHWIGR-SANMLTNESA-N 431.536 3.686 0 40 IHAB CCOC(=O)[C@@](NCc1ccc(F)cc1)(NC(=O)c1cccc(Cl)c1)C(F)(F)F 20609073 NIAMLEXJVLIFMG-GOSISDBHSA-N 432.801 3.820 0 40 IHAB COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 28791188 CMTDDODGAUBPPP-UHFFFAOYSA-N 432.498 3.886 0 40 IHAB COC(=O)c1cn(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c2ccccc12 29797681 WPABFQDADOENHE-HXUWFJFHSA-N 434.492 3.953 0 40 IHAB CC[C@H](c1nnc(S[C@H](C)C(=O)Nc2cc(C)on2)n1Cc1ccccc1)N(C)C 32776100 XOUBLVYCGKYJGQ-NVXWUHKLSA-N 428.562 3.755 0 40 IHAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3ccccc3CN(C)C3CCCCC3)ccc21 32900661 RILOVSYSPHJRPX-UHFFFAOYSA-N 434.540 3.727 0 40 IHAB CC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C[C@@H]([C@@H]3C2=O)[C@H]2ON=C(c3ccccc3Cl)[C@H]42)cc1 33821742 OCLBEOGWDVALDN-KFUHUQEASA-N 434.879 3.717 0 40 IHAB Cc1cc2nc(CSc3nnc(NC(=O)Nc4ccc(F)cc4)s3)cc(=O)n2o1 35429609 GILHDFUATGAKGZ-UHFFFAOYSA-N 432.462 3.523 0 40 IHAB COc1ccc([C@H]2[C@H](C(=O)N=c3[nH]c4ccccc4[nH]3)c3ccccc3C(=O)N2C)cc1 36366578 XENPMCDZVARYLL-YADHBBJMSA-N 426.476 3.543 0 40 IHAB CC1CCN(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)c2c[nH]c3ccccc23)CC1 36722692 QHYRFAXLFZZJPY-QFIPXVFZSA-N 440.613 3.932 0 40 IHAB COc1ccc(Cl)cc1NC(=O)COC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1 39588675 ZZOHQHBPCMPPJS-VMPITWQZSA-N 435.860 3.570 0 40 IHAB O=C(Cn1cccc1-c1nc(-c2ccc3c(c2)OCO3)no1)NCc1cccc(Cl)c1 57487115 VNYDMMRIODYFSG-UHFFFAOYSA-N 436.855 3.904 0 40 IHAB O=C(CNc1ccc2c(c1)OC(F)(F)O2)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 57681175 MUPPBOCMLXSDOC-MRXNPFEDSA-N 432.423 3.945 0 40 IHAB COc1ccc(OC)c(CNc2c(C(=O)N3CCOCC3)cnc3ccc(Cl)cc23)c1 67288345 YQMOAVLGCBVCAO-UHFFFAOYSA-N 441.915 3.990 0 40 IHAB CN(C)[C@@H](CNC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1cccs1 69352407 HPLOVMKAUMESAU-BBRMVZONSA-N 425.476 3.539 0 40 IHAB CC(C)n1c([C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)nc2ccccc21 72313117 RZGZYJCRMKJDKB-LJQANCHMSA-N 440.525 3.588 0 40 IHAB CC(C)CNC(=O)c1cc([C@H]2CN(C(=O)Cc3ccc(F)cc3)CCO2)nc2ccccc12 72352715 OORSZPSHMUGELK-XMMPIXPASA-N 449.526 3.902 0 40 IHAB CC[C@@H](Oc1ccccc1OC)C(=O)N1CCC[C@H](c2cc(C(F)F)n3ncnc3n2)C1 72395372 XJEZBSOFDJVJCY-WMLDXEAASA-N 445.470 3.634 0 40 IHAB COc1ccc(-c2nc(C(=O)N[C@@H](c3nc(-c4nc[nH]n4)no3)C(C)(C)C)cs2)cc1 89642949 CWFAZULDNRFEJI-AWEZNQCLSA-N 439.501 3.504 0 40 IHAB O=C(CCC(=O)N1CCC[C@@H]1c1ccccc1Cl)N1CCN(c2ccccn2)CC1 95420335 RJOVAXJEDYCGGA-HXUWFJFHSA-N 426.948 3.528 0 40 IHAB Cn1cc([C@H](O)C[C@H]2CCCN2C(=O)c2nc(-c3ccccc3)n3c2CCCCC3)cn1 95452752 DDJUJXYCHHYRPQ-IFMALSPDSA-N 433.556 3.738 0 40 IHAB Cc1nn(CC(C)C)c(C)c1CCC(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 95454065 JWXXUTQMDKGDTJ-NZQKXSOJSA-N 430.980 3.830 0 40 IHAB CCN(CC)C(=O)CN1CCCN(C(=O)c2cc(-c3ccc(OC)cc3)c(C)s2)CC1 97211858 NWBVJXGBIMEOCO-UHFFFAOYSA-N 443.613 3.748 0 40 IHAB CCN(CC)c1ccc(C(=O)/N=c2\sc3cc(C(=O)OC)ccc3n2CCOC)cc1 100872447 RPJKFMYYWYLBHU-VHXPQNKSSA-N 441.553 3.723 0 40 IHAB O=C1CCC[C@]2(O)[C@H]1[C@H](c1cccc(Br)c1)NC(=O)N2Cc1ccccc1 102133160 WZFPULSDAOVPET-DYXWJJEUSA-N 429.314 3.773 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N[C@@H](C)[C@H]1C[C@@H]2CC[C@@H]1C2 103012765 BDPRFUKBHXABTC-JRBPQWBISA-N 434.602 3.814 0 40 IHAB O=C(c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)N1CCN(C2CCCC2)CC1 105878210 YDKSAKXFRFFOFF-UHFFFAOYSA-N 425.533 3.835 0 40 IHAB CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=S)NC(=O)c2ccc(F)cc2)CC1 107641703 NEEFVEZNJXULQO-UHFFFAOYSA-N 448.951 3.665 0 40 IHAB COc1cc(S(=O)(=O)Nc2ccccc2C(=O)NCCc2ccccc2)ccc1F 218902166 AQVJROTVIQATOL-UHFFFAOYSA-N 428.485 3.608 0 40 IHAB COc1ccc(N([C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1OC 220228041 MXVDFLWXUXRXPM-LLVKDONJSA-N 447.340 3.804 0 40 IHAB C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 220432635 QWUMGMVEJAICIK-LLVKDONJSA-N 445.324 3.558 0 40 IHAB Cc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1N1CCCCS1(=O)=O 222573876 VCVYZRHKHIJGKM-LJQANCHMSA-N 428.554 3.957 0 40 IHAB COc1ccc(N([C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)S(C)(=O)=O)cc1 222921086 BUPOCIQIJSHTKO-IRXDYDNUSA-N 430.570 3.606 0 40 IHAB CN(C)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(N(C)C)cc1 223235842 PAKKEZXUFGMHDG-DNQXCXABSA-N 448.640 3.863 0 40 IHAB O=C(O)c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1 223319651 FXLAJSFQBKJBFK-BWAGFHJFSA-N 448.548 3.722 0 40 IHAB Cc1ccc(OCCNC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2C)c(C)c1 224101333 ZWXFXVAZVKSYSI-UHFFFAOYSA-N 444.597 3.985 0 40 IHAB CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCc1ccc(OC)c(OC)c1 224173058 IYLCQKVLHALNOV-NRFANRHFSA-N 426.557 3.888 0 40 IHAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN1C(=O)c2cccc3cccc1c23 224649858 SPXKLIUWQRBBQU-GOSISDBHSA-N 429.520 3.744 0 40 IHAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1cccc(Cl)c1Cl 225443478 STJQCXQTDMXOGD-UHFFFAOYSA-N 431.341 3.824 0 40 IHAB Cc1ccc(CN2C(=O)[C@@H]3[C@H](c4ccccc4)[C@H]4C=C[C@@]3(O4)[C@@H]2C(=O)NC2CCCC2)cc1 245227874 XCVNSRUWIFGCQF-RIWVVKKCSA-N 442.559 3.872 0 40 IHAB COCCc1ncc(CN2CCO[C@@H](c3cc(Cc4cccc(OC)c4)cc(C)n3)C2)cn1 257259035 KWOCBMQRGKAQPZ-RUZDIDTESA-N 448.567 3.542 0 40 IHAB Cc1cnn(CC(=O)N2CCC[C@@H](c3nc(N(C)C)ncc3-c3ccc(Cl)cc3)C2)c1 257286005 PJTQQVJBJDWZON-GOSISDBHSA-N 438.963 3.774 0 40 IHAB CC[C@H](O)Cn1nc(-c2cc(C(=O)O)ccc2OC)cc1-c1cccc(OC)c1OC 257297359 RGYBTLLRRQIYHM-HNNXBMFYSA-N 426.469 3.712 0 40 IHAB CCc1ccc(N([C@H](C)C(=O)N[C@H](CC)c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 260588266 HUDXGIZFLGRRFH-OXQOHEQNSA-N 448.585 3.688 0 40 IHAB COc1cccc(N([C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)S(C)(=O)=O)c1 260945431 VAWWLLAZLZOSAJ-IAGOWNOFSA-N 430.570 3.606 0 40 IHAB O=C1N(Cc2ccsc2)CCO[C@@]12CN(Cc1cccs1)C[C@@H]2c1cccnc1 306142184 WSFJZCVPOZAWBT-IFMALSPDSA-N 425.579 3.602 0 40 IHAB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1 408653340 PNUSDDJUNVKPLS-PMACEKPBSA-N 436.895 3.921 0 40 IHAB Cc1cc(Cl)ccc1NC(=O)CSc1nnc(CNC(=O)c2ccccc2C)n1C 409063727 BOTRLNLNIQWMSJ-UHFFFAOYSA-N 443.960 3.746 0 40 IHAB Cc1nc2c(c(O)nn2C)c(C)c1CCC(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1 530817487 AMRKBRFQVPUDBP-UHFFFAOYSA-N 438.919 3.760 0 40 IHAB COCc1cccc(-c2n[nH]c3c2CCN(C(=O)Cc2c(F)cc(F)cc2F)CC3)c1 585110351 JKCRPVXFBPDWDH-UHFFFAOYSA-N 429.442 3.810 0 40 IHAB CC(C)N1C(=O)C[C@@H](C(=O)Nc2ccc(F)c(C(N)=O)c2)[C@H]1c1ccc(Cl)c(F)c1 678943937 FWDLNFUSLSZVSW-AUUYWEPGSA-N 435.858 3.654 0 40 IHAB C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)N2CC[C@@]3(C2)C(=O)Nc2ccccc23)C1 681767020 HACCQJHBCDBUKW-DFXHWTJYSA-N 446.551 3.932 0 40 IHAB O=C1NCCN(C(=O)c2cc(F)cc3ccncc23)[C@H]1c1ccc(OC(F)(F)F)cc1 1528824090 QRUHMGFEOWUGBG-SFHVURJKSA-N 433.361 3.586 0 40 IHAB Cc1cc(C(=O)N[C@@H](c2ccccc2F)[C@H](C)O)nn1-c1ccc(Br)cc1 1639769025 QTRVMJFYMUEYCJ-ORAYPTAESA-N 432.293 3.934 0 40 IHAB O=C(O)CN1CCOC[C@H](Cc2ccnc(Nc3ncc(-c4ccc(F)cc4)s3)c2)C1 2037849926 OEIYZUKQXMAQRX-MRXNPFEDSA-N 442.516 3.663 0 40 IHAB O=C(CN1CCC[C@@H](COc2cnccn2)C1)Nc1cc(C(F)(F)F)ccc1Cl 2298130039 QJWSILLPQSEDKA-CYBMUJFWSA-N 428.842 3.878 0 40 IHAB Cn1c(CNc2cccc(C(F)(F)F)c2)nnc1SCC(=O)Nc1nccs1 896898 ZDGAFPAZXVPRAX-UHFFFAOYSA-N 428.465 3.633 0 40 IHAB COc1ccccc1NC(=O)Cn1nnc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 1321051 WNGOPCLCAAPWNW-ZDUSSCGKSA-N 426.542 3.651 0 40 IHAB CCCCn1c(S[C@H](C)C(=O)Nc2ccccc2)nc2cc(S(N)(=O)=O)ccc21 2631460 ZPKLLEVDSYPMCC-CQSZACIVSA-N 432.571 3.603 0 40 IHAB CCn1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1ccc(C)c(Cl)c1 6878340 TVWLTJHTLFZJBL-UHFFFAOYSA-N 433.921 3.514 0 40 IHAB COc1ccc(-c2nnn(C3CCN(C(=S)Nc4ccc(F)cc4)CC3)n2)cc1OC 8694571 YROUICKYBLVVTI-UHFFFAOYSA-N 442.520 3.530 0 40 IHAB COc1cc2oc(=O)c(CC(=O)NCCc3ccc(OC)c(OC)c3)c(C)c2cc1Cl 8751928 IALAXECYMQTCLM-UHFFFAOYSA-N 445.899 3.682 0 40 IHAB CCOC(=O)C1=C(C)OC(N)=C(S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 8873978 CARDOQVWTWTWCO-GOSISDBHSA-N 433.913 3.893 0 40 IHAB COc1cccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccc(OC)c(OC)c3)c3ccccc32)c1 8919148 FCMNSKLORRZYHH-AREMUKBSSA-N 447.487 3.720 0 40 IHAB O=C([C@H](Sc1ccccc1)c1ccccc1)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 9349449 IJIQSPAJJGAWKG-RZUBCFFCSA-N 445.606 3.715 0 40 IHAB C[C@@H](CCc1ccccc1)NC(=O)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12 9518858 MHSBLARDGGPHOP-IBGZPJMESA-N 431.536 3.584 0 40 IHAB COCCn1c(C)cc(C(=O)CSc2nc3ccccc3c(=O)n2[C@@H](C)COC)c1C 9540422 HJAHNBLVBFQIME-INIZCTEOSA-N 443.569 3.644 0 40 IHAB C[C@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)N(Cc2ccccc2F)C2CC2)C1=O 9789157 FHZGOZFPIGSDAG-XMMPIXPASA-N 435.455 3.530 0 40 IHAB CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=O)N2C2CCCC2)cc1 9934053 ICDCRYXATDQXKX-OAQYLSRUSA-N 449.507 3.972 0 40 IHAB COCCN1C(=O)N[C@@H](c2ccc(Cl)c(Cl)c2)C(C(=O)Nc2cc(C)on2)=C1C 11202329 FBTRXKUQYAYQJG-KRWDZBQOSA-N 439.299 3.915 0 40 IHAB C[C@@H]1C[C@@H](C)CN(c2nnc(SCC(=O)c3ccc(O)cc3O)n2Cc2ccco2)C1 11427120 ZHJYMKWQVDQBHK-HUUCEWRRSA-N 442.541 3.788 0 40 IHAB CCc1cc2c(=O)n(CCCOC)c(S[C@@H](C)C(=O)NC3CCCCC3)nc2s1 11773674 ZQWUXBQCSCULQK-AWEZNQCLSA-N 437.631 3.986 0 40 IHAB CC(C)c1nccn1CCC(=O)N1CCC[C@@H](c2nc3ccc(F)cc3cc2C(N)=O)C1 12088385 KISQEZNCYCPTSE-MRXNPFEDSA-N 437.519 3.589 0 40 IHAB COc1ccc(OC)c(/N=c2\oc3c(OC)cccc3cc2C(=O)NC[C@H]2CCCO2)c1 12350197 KQVVFOHPXSFMOS-HIDBMEOHSA-N 438.480 3.600 0 40 IHAB CCc1nnc(-c2ccc(NC(=O)c3ccc(S(=O)(=O)N(CC)CC)cc3)cc2)o1 12443894 VRCLNLSIOBTEBG-UHFFFAOYSA-N 428.514 3.582 0 40 IHAB Cc1ccc(Nc2nc(N)nc(CSc3nnc(NCc4ccco4)s3)n2)cc1 12550133 MHKZSNUJCCFALT-UHFFFAOYSA-N 426.531 3.855 0 40 IHAB COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 12758403 JNJDCEXQBQIJPN-UHFFFAOYSA-N 438.933 3.585 0 40 IHAB O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 12868549 JBQHZHOWYQJLDB-UHFFFAOYSA-N 436.821 3.558 0 40 IHAB CCc1ccccc1NC(=O)CN(C)C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O 12995613 KNFJBVBKVNJFMY-SFHVURJKSA-N 431.945 3.802 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)/C=C/c2ccc(OC)c(OC)c2)c1 13012006 QAHMWPJGNLFUOQ-JLHYYAGUSA-N 432.542 3.695 0 40 IHAB COc1ccc(C(=O)c2nnn(-c3ccc(OC(F)(F)F)cc3)c2/C=C/N(C)C)cc1 13394777 YIHJDZJJZCVALG-OUKQBFOZSA-N 432.402 3.938 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 13714205 WHZJUIVSKCHGAD-SFHVURJKSA-N 438.933 3.700 0 40 IHAB O=C(N[C@@H]1CCSc2c(F)cccc21)C1CCN(S(=O)(=O)c2ccccc2)CC1 14185338 ARUBICBLUUHRDI-LJQANCHMSA-N 434.558 3.580 0 40 IHAB CN1CCN(c2ccc(NC(=O)c3nn(-c4ccc(F)cc4)c4c3CCCCC4)cn2)CC1 14521754 DZCWMOXAEJRHEV-UHFFFAOYSA-N 448.546 3.679 0 40 IHAB Cc1cc(NC(=O)[C@H](C)SCC(=O)Nc2ccnn2Cc2ccc(Cl)cc2)no1 15641513 PTLAHKCKCRFGLN-ZDUSSCGKSA-N 433.921 3.580 0 40 IHAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CC(=O)Nc4ccccc43)ccc2C)cc1 15912329 VXJBUOYNXFBZSP-UHFFFAOYSA-N 435.505 3.703 0 40 IHAB COc1cccc([C@@H]2S[C@@H](C)C(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)c1OC 17197878 SXTOFQVIWKMJNX-WNSKOXEYSA-N 439.537 3.669 0 40 IHAB CC(=O)N1CCCc2cc([C@@H](O)CN3CCN(c4cc(Cl)ccc4C)CC3)ccc21 19214578 QLSHZVLBWSRHBV-DEOSSOPVSA-N 427.976 3.803 0 40 IHAB Cc1ccc(-c2nnc([C@H]3CCN(S(=O)(=O)c4cccc(C(F)(F)F)c4)C3)o2)cn1 19215201 NKAWUMBTMOITFY-AWEZNQCLSA-N 438.431 3.637 0 40 IHAB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)COC(=O)c1ccc(CN2CCCC2=O)cc1 19297517 GPBOCPXKEDGAFE-UHFFFAOYSA-N 449.334 3.931 0 40 IHAB Cc1c(CN2CC[C@H]3[C@@H](C2)[C@H](c2ccc(F)cc2)CN3C(=O)c2ccccc2)cnn1C 19553747 OJSSIWWAGRWULU-SDHOMARFSA-N 432.543 3.998 0 40 IHAB COc1ccc(OC)c(CN2CCN(C)C(=O)[C@@H](Cc3ccccc3-c3cccnc3)C2)c1 19589631 UNHZUMNORAFPPK-QHCPKHFHSA-N 445.563 3.899 0 40 IHAB O=C(c1cccnc1)N1CCc2cc(NS(=O)(=O)Cc3ccc(Cl)cc3)ccc21 19819344 NSHDVYMSKQJOBL-UHFFFAOYSA-N 427.913 3.880 0 40 IHAB COc1ccccc1[C@H](C)NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1 20010252 JKMZNJQLQZIIGC-SFHVURJKSA-N 430.570 3.896 0 40 IHAB CC[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1)c1ccc(C)cc1 20110845 MYCILIQUKLBTPG-UGKGYDQZSA-N 430.570 3.672 0 40 IHAB COc1ccc(S(=O)(=O)N[C@H]2CCCc3ccccc32)cc1C(=O)N1CCC(C)CC1 20112790 CGOASWNSGXLOIJ-QFIPXVFZSA-N 442.581 3.923 0 40 IHAB CC(C)(C)c1ccc(C[S@@](=O)[C@@H]2CCCC[C@@H]2OC(=O)CCN2CCOCC2)cc1 20458818 DSUICHSCVSACPM-ZQLNOWDWSA-N 435.630 3.810 0 40 IHAB C[C@@H]1[C@@H](NC(=O)c2ccccn2)CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NC(C)(C)C)[C@H](O)[C@@H]12 20467155 AOFNODJZGVWRKI-AWONVQOISA-N 429.605 3.554 0 40 IHAB biogenic,in-vitro Cc1ccccc1OC[C@@H](C)NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 22342517 DWOZMKGOFGHMPV-CQSZACIVSA-N 445.368 3.652 0 40 IHAB c1csc(-c2noc(CSc3nc(CN4CCOCC4)nc4ccccc34)n2)c1 22405554 JAKAZFGZBNLKIM-UHFFFAOYSA-N 425.539 3.866 0 40 IHAB CCOc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C(=O)OC[C@H]3CCCO3)c2)cc1 25397204 QHNHWINHNNEVEZ-LJQANCHMSA-N 433.526 3.555 0 40 IHAB Cn1c(COc2ccccc2Cl)nnc1SCCCn1c(=O)[nH]c2ccccc21 25894027 AYDZXZOGZYGKGA-UHFFFAOYSA-N 429.933 3.873 0 40 IHAB CC1=C(C(=O)N(C)C)[C@H](c2ccccc2Cl)NC(=S)N1c1ccc2c(c1)OCCO2 28724828 LYSGVXSHICUBJI-FQEVSTJZSA-N 443.956 3.909 0 40 IHAB O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCCc1ccc(F)cc1 28943351 YQRXERXOHWYWFL-UHFFFAOYSA-N 430.476 3.519 0 40 IHAB COc1ccc([C@H]2CC(O)=Nc3c2c(C)nn3-c2ncnc3[nH]cnc23)cc1OC(C)C 31811147 GTXODVHFYJKLHE-CQSZACIVSA-N 433.472 3.766 0 40 IHAB COc1cc(NC(=O)c2ccc3c(=O)n(-c4cccc(OC)c4)cnc3c2)cc(OC)c1 32070953 AZDITQOUHVBQDK-UHFFFAOYSA-N 431.448 3.664 0 40 IHAB O=C(Nc1ccc2oc(=O)ccc2c1)[C@H]1CC(=O)N(c2ccccc2Br)C1 32093195 PIKDSGAYKORBAM-ZDUSSCGKSA-N 427.254 3.547 0 40 IHAB Cc1noc(C)c1CSc1ccccc1C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 32971701 FRVSEWYKPHUFCK-ZDUSSCGKSA-N 445.566 3.722 0 40 IHAB CC(=O)Oc1ccc2c(c1)C(=O)C[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1C[C@@H](OC(C)=O)[C@@H]2OC(C)=O 35361155 YKXHUDXDHCUGIF-YZMGBISUSA-N 428.481 3.582 0 40 IHAB biogenic COCc1nnc(NC(=O)c2cc(=O)c(OCc3ccc(Cl)c(Cl)c3)co2)s1 36357114 FBDHIRMLRUWPMA-UHFFFAOYSA-N 442.280 3.776 0 40 IHAB Cc1ccc(Cn2c(=O)c3ccccc3n(Cc3nc(-c4ccc(C)cc4)no3)c2=O)cc1 38487314 SZISEXHLJAOMCE-UHFFFAOYSA-N 438.487 3.927 0 40 IHAB CC(C)(C)c1ccc(OC[C@H](O)CNC[C@@H](c2ccc(F)cc2)N2CCOCC2)cc1 40160691 GZNFRCKLBVELQI-VWNXMTODSA-N 430.564 3.526 0 40 IHAB COc1ccc(-c2nc(CC(=O)NCC3(CC(=O)O)CCCCC3)cs2)cc1OC 40288152 GYRXJBNJZUFOEM-UHFFFAOYSA-N 432.542 3.911 0 40 IHAB COc1ccc2nc(NC(=O)c3sc(N(C[C@H]4CCCO4)C(C)=O)nc3C)sc2c1 44892555 XOAZUUBOJVHBTQ-CQSZACIVSA-N 446.554 3.854 0 40 IHAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2ncc(CN[C@H](C)c3ccc4c(c3)CCCC4)cc12 58172274 MZBGMNCHULERMF-ZHRRBRCNSA-N 438.597 3.829 0 40 IHAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CSCc3ccccc3)cc2)n1 59313172 HJXXDGKNQWGHDB-UHFFFAOYSA-N 442.566 3.766 0 40 IHAB O=C(NCCc1ccc(Cl)cc1)c1ccc(Oc2nccnc2N2CCOCC2)cc1 67334589 YEPTXGOGPDHPEQ-UHFFFAOYSA-N 438.915 3.731 0 40 IHAB O=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccccc2F)cc1)C1CCCCC1 67896505 RPERIJMRKZQIIB-ISKFKSNPSA-N 440.515 3.806 0 40 IHAB biogenic,in-vitro Cc1ccc(S(=O)(=O)NC[C@H](NC(=O)Nc2nccs2)c2ccccc2)c(C)c1 72306109 ZGFKVFYGDUXGGO-KRWDZBQOSA-N 430.555 3.601 0 40 IHAB COc1ccc(NC(=O)CN2CCC[C@@H](c3nc(N)ncc3-c3ccc(OC)cc3)C2)cc1 72345934 SFWLIMPSYGWIFN-GOSISDBHSA-N 447.539 3.561 0 40 IHAB Cn1cc(C(=O)N2CCC[C@H](c3cncc(-c4cccc(C(F)(F)F)c4)n3)C2)ccc1=O 72359784 JCIQESQGOOJBRL-INIZCTEOSA-N 442.441 3.881 0 40 IHAB Cc1cc(C(=O)Nc2nc3c(s2)CN(C(=O)CSc2ccc(F)cc2)CC3)no1 77196466 BYJDCYLKLWNVBK-UHFFFAOYSA-N 432.502 3.508 0 40 IHAB COc1ccc(OC)c(C(=O)Cn2cc(-c3nc(-c4ccccc4F)no3)ccc2=O)c1 77200462 XSXKSFLKYIPCRC-UHFFFAOYSA-N 435.411 3.605 0 40 IHAB CCN(CC)[C@H](CNC(=O)COC(=O)CCCc1nc2ccccc2s1)c1ccco1 89967799 RGOJDUHXORYMMX-GOSISDBHSA-N 443.569 3.955 0 40 IHAB CCc1ccc([C@@H]2CCCCN2S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)o1 95402898 NWCMKTQICADCNT-INIZCTEOSA-N 431.963 3.815 0 40 IHAB O=C(Cc1cccc(F)c1)NCC(=O)N1CCCN(c2ccc(Cl)c(Cl)c2)CC1 95453075 BDIHNKLQUHEKAO-UHFFFAOYSA-N 438.330 3.530 0 40 IHAB CCC[C@](C)(O)[C@@H]1C[C@@]23C=C[C@]1(OC)[C@@]1(C)Oc4c(O)ccc5c4[C@@]12CCN(C)[C@@H]3C5 96316387 GGSNWFNWEAZKML-IUHQKKMASA-N 425.569 3.554 0 40 IHAB biogenic,in-vitro CCOc1ncc(C2(O)[C@@H]3CCC[C@@H]2CN(Cc2ccc(F)c(F)c2)C3)c(OCC)n1 100149690 HGYJWVXSOSAJND-IAGOWNOFSA-N 433.499 3.672 0 40 IHAB COc1ccc([C@@H]2c3ccc(O)cc3Oc3ncn(CCCn4ccnc4)c(=N)c32)cc1 101151188 VUJWYRDCTFUKHF-OAQYLSRUSA-N 429.480 3.649 0 40 IHAB O=C(CN1C(=O)N[C@]2(CCc3ccccc3C2)C1=O)Nc1ccc(Oc2ccccc2)cc1 104470622 KQTZCVWJVKBGAO-SANMLTNESA-N 441.487 3.897 0 40 IHAB C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 105049896 QKTAKMAVFSFXOB-PBHICJAKSA-N 447.329 3.764 0 40 IHAB C[C@H]1CC[C@@]2(OC1)O[C@@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)[C@H](O)C[C@]5(C)[C@H]4CC(=O)[C@]3(C)[C@H]1[C@@H]2C 118918274 PBLXVDNSLUFVHF-WLTHIZALSA-N 446.628 3.944 0 40 IHAB CC[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N(c1cccc(OC)c1)S(C)(=O)=O 220622367 KBWDBOOBWPZAOC-KRWDZBQOSA-N 430.448 3.897 0 40 IHAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCOc4ccccc43)cc2)cc1 222673889 LUWYTDZDCRQZAU-UHFFFAOYSA-N 438.505 3.600 0 40 IHAB COc1ccc(CNC(=O)[C@@H](Cc2ccccc2)N(Cc2ccc(OC)cc2)C(C)=O)cc1 223259407 BLLOLIMQITXVBT-AREMUKBSSA-N 446.547 3.980 0 40 IHAB CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CSCc1ccc(OC)cc1 224596323 OIFWMRIANWSHAZ-JOCHJYFZSA-N 428.598 3.914 0 40 IHAB CSc1ccc(S(=O)(=O)NCCOc2ccc(C)c(C)c2)cc1NC(=O)C(C)C 225180195 LDCYAWDIHHPEEW-UHFFFAOYSA-N 436.599 3.977 0 40 IHAB O=C(c1ccccc1CN1CCOCC1)N1CCC[C@@H](Cc2cccc3[nH]ncc23)CC1 257201898 AJOBKVYINUIUFZ-HXUWFJFHSA-N 432.568 3.880 0 40 IHAB CCc1nnsc1C(=O)N1CCO[C@H](c2cc(Nc3nc(C)cs3)cc(C)n2)C1 257205113 AXSMFQWDGQLGRQ-INIZCTEOSA-N 430.559 3.526 0 40 IHAB O=C(c1ccccc1CN1CCCCC1)N1CCOC[C@H](Cc2cccc3[nH]ncc23)C1 257220273 DKFUOINPUSNCTP-HXUWFJFHSA-N 432.568 3.880 0 40 IHAB COc1cccc(-c2cncc([C@@H]3CN(C(=O)c4n[nH]c5ccc(C)cc45)CCO3)n2)c1 257223880 DZIGNWFVJUUFHR-QFIPXVFZSA-N 429.480 3.551 0 40 IHAB CN(C)C(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCN(C(=O)c2cncc(N)c2)CC1 257250235 JLRONUQNMNUWLD-UHFFFAOYSA-N 442.563 3.884 0 40 IHAB Cc1ccc(C2(C(=O)N3CCC[C@@H](Cc4cn5ccnc5cn4)CC3)CCOCC2)cc1 257280099 OJLAAGCPXSOLOK-OAQYLSRUSA-N 432.568 3.957 0 40 IHAB Cc1cccc(-c2ccccc2C[C@H]2C(=O)NCCN2C(=O)CCCn2nc(C)cc2C)c1 257310078 UDPFNASTDWMWBF-VWLOTQADSA-N 444.579 3.825 0 40 IHAB Cc1ccc(-c2csc(NC(=O)CN3CC[C@H](Oc4ccccc4)[C@@](C)(O)C3)n2)cc1 257324891 WQQDHAVRKPAVAQ-URXFXBBRSA-N 437.565 3.961 0 40 IHAB COc1cc(C(=O)NS(=O)(=O)c2cccc(Cl)c2C)ccc1OCc1ccccn1 257327033 WZOPMABPDLAAIU-UHFFFAOYSA-N 446.912 3.750 0 40 IHAB Cc1cc(C)cc(N([C@H](C)C(=O)NCCOc2ccc(C)c(Cl)c2)S(C)(=O)=O)c1 260888186 JOKWOKFAQLKBMH-QGZVFWFLSA-N 438.977 3.615 0 40 IHAB COc1ccc(F)cc1-c1ccc2nc([C@@H]3CCCN(C(=O)c4cc(C)no4)C3)nn2c1 306123177 AGEWHYSUNADJOC-MRXNPFEDSA-N 435.459 3.860 0 40 IHAB COc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 408672481 ZJVPQJDDFLVQMD-GFCCVEGCSA-N 437.279 3.537 0 40 IHAB COc1cc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)ccc1F 408695979 XOTUSDBCDGAEFX-UHFFFAOYSA-N 440.540 3.930 0 40 IHAB CC(C)c1ccccc1NC(=O)CSc1nnc(CNC(=O)Cc2ccccc2)n1C 409170035 SAJSMLLWRPHGPO-UHFFFAOYSA-N 437.569 3.528 0 40 IHAB COC(=O)c1ccccc1NC(=O)CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1 409195017 OMYCNVVSFPOJET-UHFFFAOYSA-N 444.553 3.656 0 40 IHAB Cn1c(CC(=O)Nc2ccccc2)nnc1SCC(=O)Nc1cccc(C(F)(F)F)c1 409342958 CBYYYFDRKQCWTI-UHFFFAOYSA-N 449.458 3.746 0 40 IHAB C[C@@]1(c2ccc(C(=O)Nc3ccc4nc(-c5cccc(F)c5)[nH]c4c3)cc2)NC(=O)NC1=O 530878372 GYCIKJLBRIHSOH-DEOSSOPVSA-N 443.438 3.676 0 40 IHAB O=C(Cc1ccccc1S(=O)(=O)C(F)F)Nc1cc(C2CC2)nn1-c1ccccc1 1632444892 YCGYVPCPIGCSNR-UHFFFAOYSA-N 431.464 3.927 0 40 IHAB C[C@@H](NC(=O)C[C@H](NC(N)=O)c1cccs1)c1nc2cc(Cl)c(Cl)cc2[nH]1 1641158663 UOHBDHDWTSMTAB-OQPBUACISA-N 426.329 3.908 0 40 IHAB COc1ccc(C(=O)Cn2nnc(-c3ccccc3NC(=O)c3cccc(F)c3)n2)cc1 1372707 QENVNMHJEFNIFG-UHFFFAOYSA-N 431.427 3.623 0 40 IHAB CCn1c(SCC(=O)Nc2ccc(C)cc2)nc2nc3c(cc2c1=O)COC(C)(C)C3 2349388 GJHZBZALLPQMIG-UHFFFAOYSA-N 438.553 3.702 0 40 IHAB CCn1cc(C(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2)c(=O)c2ccc(C)nc21 3227953 KCJUBTOBERRZKP-UHFFFAOYSA-N 433.386 3.539 0 40 IHAB COc1ccc(C)cc1-n1nnnc1SCC(=O)Nc1ncc(Cl)c(C)c1Cl 3491424 ZMFSAXPRWXNRKK-UHFFFAOYSA-N 439.328 3.720 0 40 IHAB COc1ccc(-c2cc(=O)oc3cc(O[C@H](C)C(=O)NCc4ccccn4)ccc23)cc1 8791161 YPBINYWGYJDKCF-MRXNPFEDSA-N 430.460 3.947 0 40 IHAB biogenic Cc1cccc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCN(C)CC3)o2)c1 8844589 VFQNFQMXLLTMEZ-UHFFFAOYSA-N 431.945 3.888 0 40 IHAB O=C(/C=C/c1cc(Cl)c2c(c1)OCCO2)N1CCC(C(=O)N2CCCCCC2)CC1 8855743 QPWHZYRMBPKFNB-AATRIKPKSA-N 432.948 3.766 0 40 IHAB COc1ccc(CN2C(=O)[C@@](O)([C@H](C)C(=O)c3ccccc3)c3ccccc32)cc1OC 8919047 RWASCRWLVRICNW-WGDIFIGCSA-N 431.488 3.957 0 40 IHAB CCOc1ccc(N2C(=O)[C@@]3(Cc4c(ccc5ccccc45)N(C)C3)C(=O)N=C2O)cc1 9087129 SWAIESJMPIEHQP-RUZDIDTESA-N 429.476 3.705 0 40 IHAB C[C@H](C1CC1)N(CC(F)(F)F)C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 9222779 CGIHSPGQWTWBNB-GFCCVEGCSA-N 438.899 3.928 0 40 IHAB CN(C)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1 9223258 GXBQWBGZPAYBIU-UHFFFAOYSA-N 438.484 3.872 0 40 IHAB CCOc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCOC)cc1OCC 9409040 ZPGOUKFILNPQQE-QHCPKHFHSA-N 437.496 3.771 0 40 IHAB COc1cc(NC(=O)Cc2c(C)c3cc(Cl)c(O)cc3oc2=O)cc(OC)c1OC 9485728 VAGRESLYAKRMHR-UHFFFAOYSA-N 433.844 3.667 0 40 IHAB COc1ccc(Cn2nnnc2SCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1 9515920 CRBHJPZJNQBBAL-INIZCTEOSA-N 437.569 3.578 0 40 IHAB O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1nnc(-c2ccccc2Cl)o1 9629944 QSMHDKHCJVFZRC-UHFFFAOYSA-N 426.281 3.846 0 40 IHAB Cc1ccc(C)c(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)c1 9664701 VPFFCMSBMNDCCJ-UHFFFAOYSA-N 444.553 3.664 0 40 IHAB CC[C@@H](C)NC(=O)CSc1nc2sc(-c3ccccc3)cc2c(=O)n1CCOC 11130847 GJJZAYNHGCAUPM-CQSZACIVSA-N 431.583 3.778 0 40 IHAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cccc(C(=O)NCC(F)(F)F)c1 11461447 ZHPDKOJIWBUSMO-IBGZPJMESA-N 431.414 3.881 0 40 IHAB Cc1cc(-c2cc(=O)n(CC(=O)NCc3ccc(F)cc3)nc2-c2ccc(C)s2)on1 12156231 KEQIVPLYFFZTID-UHFFFAOYSA-N 438.484 3.699 0 40 IHAB COc1cc(CN2CCC(c3nc(O)cc(-c4ccccn4)n3)CC2)cc(OC)c1OC 12327761 GRUIVISJJUMWHU-UHFFFAOYSA-N 436.512 3.650 0 40 IHAB COc1ccc(S(=O)(=O)c2c(C)c(C)n(CC(C)C)c2NC(=O)[C@H]2CCCO2)cc1 12391514 QAJDHMDDTILRGP-LJQANCHMSA-N 434.558 3.720 0 40 IHAB CCCOC[C@@H]1C[C@@]2(C[C@@](C)(c3csc(Cc4ccccc4OC)n3)OC2=O)C(=O)O1 12411227 AUOVLTAQTPUHOW-IRBZQWRBSA-N 445.537 3.633 0 40 IHAB biogenic O=C(CCCSc1nnc(Cc2ccccc2)n1-c1ccc(F)cc1)N1CCOCC1 12542929 CFMWZFMSYVOUPG-UHFFFAOYSA-N 440.544 3.728 0 40 IHAB COCCN(Cc1nc(COc2ccc(F)cc2)no1)Cc1nnc(-c2cccs2)o1 12809900 ICQZMUCCMQMXTK-UHFFFAOYSA-N 445.476 3.548 0 40 IHAB O=C([C@H](Sc1nc2ccccc2c(=O)n1CCCO)c1ccccc1)N1CCCCC1 12980485 ZZEHUZHYVITHKI-OAQYLSRUSA-N 437.565 3.625 0 40 IHAB CCCN(Cc1ccc(OCC)c(OCC)c1)C(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O 13095334 YQBUSTJGURRCHS-PMACEKPBSA-N 444.572 3.788 0 40 IHAB O=C(CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1=O)NC1CCCCC1 13653837 KJKZIICVYLTVOA-IBGZPJMESA-N 430.936 3.513 0 40 IHAB Cc1ccc(C)c2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=S)NCc3ccco3)cc12 13658207 HSIFOOBFEWXMTK-LJQANCHMSA-N 425.554 3.794 0 40 IHAB CCN(c1ccc(C(=O)NCCSCc2ccccc2Cl)cc1)S(C)(=O)=O 13677567 HZDRDWNMHUZTLK-UHFFFAOYSA-N 426.991 3.789 0 40 IHAB O=C(NCCOc1ccc2nnc(-c3cccc(F)c3)n2n1)Nc1ccccc1Cl 13706073 GAZDEAFYNRYIOK-UHFFFAOYSA-N 426.839 3.784 0 40 IHAB CCOC(=O)c1sc(NC(=O)c2ccc(S(C)(=O)=O)cc2)nc1-c1ccccc1 14060250 SILIGPGWWCJCDX-UHFFFAOYSA-N 430.507 3.643 0 40 IHAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)COc1ccc(Br)cc1F 14198522 DEIXQCFJCWXQJP-UHFFFAOYSA-N 445.235 3.732 0 40 IHAB COc1cc(CCC(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)cc(OC)c1 15584413 MCJJRGLSLKGRSB-UHFFFAOYSA-N 446.569 3.840 0 40 IHAB O=C(Nc1cccc(Cl)c1Cl)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 15587608 VQKSAAYYGBEYQK-UHFFFAOYSA-N 438.336 3.793 0 40 IHAB O=C(c1ccc2ncsc2c1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 17051334 AWUPHITYVOODDO-UHFFFAOYSA-N 437.546 3.596 0 40 IHAB Cc1nc(C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)nn1-c1ccc(F)cc1 18040344 SMFJHCDYVDSIDW-UHFFFAOYSA-N 436.274 3.732 0 40 IHAB CC(C)N1CCc2c(O)nc([C@@H]3CCCCN3C(=O)c3ccc4c(c3)C[C@H](C)O4)nc2C1 19497953 CLVONTLHCYZYFV-KKSFZXQISA-N 436.556 3.640 0 40 IHAB CCc1ccc(CN2CCC[C@H]2c2nc(=O)c3c([nH]2)CN(C(=O)c2cccs2)CC3)cc1 19522879 VMIFURZGTMJHNC-NRFANRHFSA-N 448.592 3.929 0 40 IHAB CNC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CN(C(=O)CC2CCCCC2)CCO1 19591812 BBTRSRJRFDZWES-AREMUKBSSA-N 435.568 3.605 0 40 IHAB CC(C)NC(=O)c1cc([C@H]2CN(Cc3cnc(C(C)C)nc3)CCO2)nc2ccccc12 19762067 VOJTVSLEVLLKTI-HSZRJFAPSA-N 433.556 3.860 0 40 IHAB CCc1ccc(NC(=O)C[C@@H]2C(=O)N(CCCn3ccnc3)c3nc4ccccc4n32)cc1 19819465 FEMLTSWYWYVEGG-JOCHJYFZSA-N 442.523 3.802 0 40 IHAB CCN(CC(=O)N[C@H](C)c1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1 20014039 FKJOWFHDDJRUKN-OAHLLOKOSA-N 439.375 3.646 0 40 IHAB CSc1nc(N)c2c(n1)NC1=C(C(=O)OC1)[C@@H]2c1cccc(OCc2ccccc2)c1 20086860 IZKVXIFJJIYXRX-KRWDZBQOSA-N 432.505 3.728 0 40 IHAB CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)OCc2nc3ccccc3s2)cc1 22324091 HQLWRVWZXCHWBM-UHFFFAOYSA-N 446.550 3.643 0 40 IHAB O=C(COc1ccccc1)N(CCCN1CCOCC1)c1nc2c(F)cccc2s1 22997483 SLXMVHNNULWZJR-UHFFFAOYSA-N 429.517 3.570 0 40 IHAB COCCn1c(SCC(=O)N2CCCc3cccc(F)c32)nnc1-c1ccccc1 25637764 GIAUXNJPDRQNJX-UHFFFAOYSA-N 426.517 3.802 0 40 IHAB CC(C)c1nnc(SCC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)n1Cc1ccco1 29804560 MQLBSVDTZUCKTN-HNNXBMFYSA-N 442.541 3.784 0 40 IHAB CCOC(=O)c1cn(CC)c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2c1=O 32607710 YLBRSVRGPGAJQI-UHFFFAOYSA-N 428.872 3.869 0 40 IHAB Cc1ccc(-c2cc(CNC(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)on2)cc1 32928001 XWPSXUSWKWTKPA-UHFFFAOYSA-N 439.537 3.755 0 40 IHAB CCN(Cc1ccccc1)C(=O)CN1C(=O)S/C(=C/c2ccc(OC)c(OC)c2)C1=O 33470448 WNDLCZYSRCMVJW-DEDYPNTBSA-N 440.521 3.789 0 40 IHAB COc1cccc(-n2c(SCC(=O)Nc3cccc(O)c3)nnc2-c2ccncc2)c1 35310730 GBFKOSPCDMAURE-UHFFFAOYSA-N 433.493 3.774 0 40 IHAB CC(=O)Oc1ccc2c(c1)C(=O)C[C@H]1[C@@H]2CC[C@@]2(C)[C@@H]1C[C@@H](OC(C)=O)[C@@H]2OC(C)=O 35361157 YKXHUDXDHCUGIF-AAZWBZINSA-N 428.481 3.582 0 40 IHAB COc1ccc(NC(=O)c2csc(Nc3ccc(S(C)(=O)=O)cc3)n2)c(OC)c1 35596773 AMEGSDNFKISATQ-UHFFFAOYSA-N 433.511 3.560 0 40 IHAB CCc1cccc2c(/C=C3\NC(=S)N(CC)C3=O)cn(CC(=O)N3CCCC[C@@H]3C)c12 39556382 LHRUIKCSDFMYSZ-SMEDBKPVSA-N 438.597 3.682 0 40 IHAB CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)N2CCc3[nH]c4ccccc4c3C2)c1 40104030 CZBAOXWCBDXXHH-UHFFFAOYSA-N 426.542 3.835 0 40 IHAB Cc1cc(OCC(=O)N2CCC3(CC2)NC(=O)C2(CCCCC2)N3)c(C(C)C)cc1Cl 40153005 RWQIBPZZIDECRE-UHFFFAOYSA-N 448.007 3.892 0 40 IHAB O=C(NCc1cc(=O)n2nc(-c3ccccc3)sc2n1)c1ccc(Br)cc1 41089837 FKAVAZQQDLGTMQ-UHFFFAOYSA-N 441.310 3.511 0 40 IHAB COCc1nn2c(c1-c1ccccc1)N=C(O)C[C@H]2C(=O)Nc1ccc(NC(C)=O)cc1 44902703 YMBKRQNIXIBSOS-IBGZPJMESA-N 433.468 3.826 0 40 IHAB COc1ccc([C@@H]2CC(=O)N(c3ccc(F)c(F)c3)c3c2sc(=O)n3C)cc1OC 49546215 FQKXBTWKTCSRNO-ZDUSSCGKSA-N 432.448 3.943 0 40 IHAB O=C(Cc1ccccc1)NC(=S)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 57316717 GDVUHBCCFYOGHJ-UHFFFAOYSA-N 445.869 3.662 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN[C@@H](C)c1ccccc1 57318530 RZCOPSBXTHAIDJ-SFHVURJKSA-N 445.585 3.549 0 40 IHAB O=S(=O)(N[C@@H](Cn1cncn1)c1ccccc1)c1ccc(Cl)c(C(F)(F)F)c1 58231548 NLWALNUWPLSDRU-INIZCTEOSA-N 430.839 3.670 0 40 IHAB CCOC(=O)c1sc(NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)nc1-c1ccccc1 71850890 VSZNVDKQVUCTGV-MRXNPFEDSA-N 427.526 3.574 0 40 IHAB CCOc1ccc(CN2CCC[C@@H](c3cc(-c4cnc(N)nc4)cc(C)n3)C2)cc1CO 72353771 FIEDNUVILXPLQC-LJQANCHMSA-N 433.556 3.700 0 40 IHAB CC(C)Nc1n[nH]c2nc([C@H]3CCCN3C(=O)c3ccc(OCCN(C)C)cc3)ccc12 72374560 GAQRXDTZKWIFQI-OAQYLSRUSA-N 436.560 3.696 0 40 IHAB Cc1cc(Cc2cccc(F)c2)cc([C@H]2CCN(S(=O)(=O)c3c(C)noc3C)C2)n1 72374808 HQCOGMAPERLWMH-IBGZPJMESA-N 429.517 3.903 0 40 IHAB CCNC(=O)[C@]1(Cc2cccc(-c3cccc(F)c3)c2)CCCN(C(=O)[C@@H]2CCCO2)C1 72391564 GGUXXDCBQZXALD-OZXSUGGESA-N 438.543 3.959 0 40 IHAB CS(=O)(=O)c1cc(Cl)cnc1[C@H]1CCCN(Cc2cc3c(cc2Cl)OCO3)C1 72394298 RONXLXOTHLPMEI-LBPRGKRZSA-N 443.352 3.900 0 40 IHAB CCOC(=O)c1c(NS(=O)(=O)c2cc(OC)c(C)cc2OC)sc2c1CCCC2 72414570 FBMXJSQSNLSUCK-UHFFFAOYSA-N 439.555 3.930 0 40 IHAB Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NC[C@]1(N(C)C)CCSC1 78998573 UFKHFQCOAFQVFB-HXUWFJFHSA-N 441.428 3.892 0 40 IHAB Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)Cn1cnc2ccc(F)cc2c1=O 89646710 DYLUTVVBTSPPRQ-UHFFFAOYSA-N 426.448 3.830 0 40 IHAB Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)N[C@H](CCO)C2CCCCC2)cc1 89690597 XWTFIURRHFLEBM-JOCHJYFZSA-N 430.570 3.857 0 40 IHAB CSc1ccc(C(=O)NCCN(Cc2ccccn2)C(=O)c2ccc(SC)o2)o1 95451263 CFFVGMYFFCRVFH-UHFFFAOYSA-N 431.539 3.784 0 40 IHAB Cc1cc(OCC(=O)NC[C@H]2CCCN3CCCC[C@H]23)c2c3c(c(=O)oc2c1)CCCC3 96343557 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C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H]4C=C[C@@H](CC4)[C@@H]3C(=O)O)c2C(=O)NC2CC2)C1 225765149 IEZGPMAEFGGQJC-HXHAXSGFSA-N 428.554 3.617 0 40 IHAB Cc1cc(N2Cc3ccccc3C2)nc(NC(=S)NCc2ccc3c(c2)OCCO3)n1 226015704 OZFNUOJQLKRPOW-UHFFFAOYSA-N 433.537 3.563 0 40 IHAB O=C1CC2(CCN(C(=O)c3cnc(O[C@@H]4CCOC4)c(Cl)c3)CC2)Oc2ccccc21 244970216 HOHPZOXDUYAXOE-MRXNPFEDSA-N 442.899 3.543 0 40 IHAB Cc1cc(C(=O)N2CCCC[C@H]2CCNC(=O)c2ccccc2)nc(N2CCCCC2)n1 257209099 BOYWFGVONWHQQV-NRFANRHFSA-N 435.572 3.590 0 40 IHAB CCOc1cc(CCC(=O)NC[C@H]2CC[C@H](c3nn(C)cc3-c3ccncc3)CC2)on1 257228381 FTOWSYZIUNNKKF-UAPYVXQJSA-N 437.544 3.892 0 40 IHAB Cc1cc(C(=O)N2CCC[C@@](COc3ccc(F)cc3)(CC(=O)N3CCCCC3)C2)no1 257255682 KILXZSHZHBVJIW-XMMPIXPASA-N 443.519 3.826 0 40 IHAB Cc1cc(Nc2nc(C)cs2)cc([C@H]2CCCN(C(=O)CCc3nc(C)no3)C2)n1 257297564 RHVHOSSIXNHKKB-INIZCTEOSA-N 426.546 3.929 0 40 IHAB O=C(Cn1cc(C(=O)C(=O)N2CCCC2)c2ccccc21)NCc1c(F)cccc1Cl 408575951 XBYMFKGLOMEZNR-UHFFFAOYSA-N 441.890 3.555 0 40 IHAB CCOc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)N(CC)CC)cc1Br 408602508 CATHBDOHVREPFX-INIZCTEOSA-N 426.380 3.509 0 40 IHAB CCCCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(F)cc3)CC2=O)cc1 408637155 GEDUJYARNUUYMN-SFHVURJKSA-N 441.455 3.562 0 40 IHAB Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)ccc1N1C(=O)c2ccccc2C1=O 408642657 PIQVELQCIIFOFP-QGZVFWFLSA-N 440.455 3.754 0 40 IHAB COc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)cc1 408658763 ITYDBWPYQMDIAE-UHFFFAOYSA-N 425.268 3.903 0 40 IHAB Cc1ccc(Cl)cc1N1CCN(C(=O)C2CCN(C(=O)c3ccccc3)CC2)CC1 409052289 REUPHVNLSBSXEO-UHFFFAOYSA-N 425.960 3.849 0 40 IHAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)N2CCC(Cc3ccccc3)CC2)cc1 409199587 HVBIABCFLGZZQL-IBGZPJMESA-N 444.597 3.624 0 40 IHAB CCn1c(CC(=O)Nc2ccccc2)nnc1SCC(=O)Nc1ccccc1Cl 409343344 GKPMADOSDXPBJR-UHFFFAOYSA-N 429.933 3.863 0 40 IHAB Cc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3ccc(C(C)C)cc3)n2C)c1 409346532 LHISGFTXDCWWFS-UHFFFAOYSA-N 437.569 3.908 0 40 IHAB O=C(O)C[C@H]1CCCN(C(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)C1 532875406 YGTPHMHEICNHLE-OXQOHEQNSA-N 428.916 3.915 0 40 IHAB O=C(C1CC(F)C1)N1CCC2(CC1)C[C@@H](COCC1CC1)N(C(=O)c1ccccc1)C2 585103831 QEZBQPQFXBLPLI-HRTMPFAESA-N 428.548 3.685 0 40 IHAB CC(=O)N1CCN([C@H]2CC[C@H](c3ccccc3)CC2)C[C@](O)(COc2cccc(F)c2)C1 585281981 DMPKEIYDVRQGLE-GVUKDKGQSA-N 440.559 3.826 0 40 IHAB CCN(CCO)C(=O)CN1CCCC(C)(C)COc2ccccc2Oc2ncccc2C1 643575556 KOEFKXLLXKILEJ-UHFFFAOYSA-N 441.572 3.716 0 40 IHAB CS(=O)(=O)N1CCC[C@H](c2nnc3sc(-c4ccc(-c5ccccc5)cc4)nn23)C1 1505838474 ZGWWWOFPMJEFEI-SFHVURJKSA-N 439.566 3.659 0 40 IHAB CN(C)c1cccc(C(=O)Nc2nc3ccc(S(=O)(=O)NC(C)(C)C)cc3s2)c1 937614 OURXMEHVYKBFAF-UHFFFAOYSA-N 432.571 3.691 0 40 IHAB Cc1ccc(NC(=O)c2sc3ncn(CC(=O)OCC(C)C)c(=O)c3c2C)c(C)c1 958434 JIPYMAFBEPJRPC-UHFFFAOYSA-N 427.526 3.835 0 40 IHAB O=C(Nc1ccc(F)c(F)c1)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 1401330 RFQTWTQIGZPKJJ-MRXNPFEDSA-N 445.285 3.519 0 40 IHAB O=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 2635321 ISPPIGMIUSMULE-UHFFFAOYSA-N 444.944 3.737 0 40 IHAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)Cc3cccc4ccccc34)cc2)n1 2709469 LUABIJMZRZHFKX-UHFFFAOYSA-N 432.505 3.920 0 40 IHAB COc1ccccc1-n1c(SCC(=O)Nc2cccc(F)c2)nc2c(c1=O)SCC2 2719827 MYBMEGBKVSMEKE-UHFFFAOYSA-N 443.525 3.759 0 40 IHAB CN(C)S(=O)(=O)c1ccc(NCC(=O)Nc2cccc(Oc3ccccc3)c2)cc1 3408826 GTWOXFRIAKAKOW-UHFFFAOYSA-N 425.510 3.780 0 40 IHAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)/C=C/c1ccccc1OC 5890941 KTFOJIXKAFOUMV-ZHACJKMWSA-N 426.513 3.981 0 40 IHAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3nnc(-c4ccc(C)cc4)o3)CC2)cc1 8599688 NLLYUTKPVMRQRY-UHFFFAOYSA-N 440.525 3.572 0 40 IHAB O=C(Cn1nc(-c2cccs2)oc1=O)N1CCC[C@H](c2nc3ccccc3s2)C1 8709490 LSYNSLPOLFTQAU-ZDUSSCGKSA-N 426.523 3.581 0 40 IHAB COC(=O)c1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)c(F)c1 8810874 VIIGYNZJRIWRRR-UHFFFAOYSA-N 446.431 3.805 0 40 IHAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N(C)C[C@H]2COc3ccccc3O2)cc1 9155258 AHBQKNVQZNGIKQ-FQEVSTJZSA-N 441.487 3.606 0 40 IHAB COc1ccc([C@H]2[C@@H](C(=O)O)c3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)cc1 9282975 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O=S(=O)(c1ccc(C2CCCCC2)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 12420584 YWFGLYMPAXUXDS-UHFFFAOYSA-N 442.581 3.970 0 40 IHAB COCCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nc2sc(C)c(C)c2c1=O 12710804 QNRVPKIZKZPNKP-UHFFFAOYSA-N 445.566 3.655 0 40 IHAB COc1ccccc1[C@@H](CNC(=O)[C@H](NC(=O)c1ccccc1F)C(C)C)N1CCCC1 12791922 FTDLFNIQEUXUTD-FYYLOGMGSA-N 441.547 3.542 0 40 IHAB CCCNC(=O)NC(=O)CSc1nnc(-c2ccccc2F)n1CCc1ccccc1 13141073 AXGDLTPWQDALRK-UHFFFAOYSA-N 441.532 3.655 0 40 IHAB CCc1nnc2sc(-c3ccc(CNC(=O)COc4ccc(Cl)cc4)cc3)nn12 13954784 DGRYXCLXZDIPNG-UHFFFAOYSA-N 427.917 3.764 0 40 IHAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N(C)CC(=O)NCc2ccco2)cc1 14198570 FAIMXNXPMOPTNT-UHFFFAOYSA-N 428.492 3.829 0 40 IHAB CS(=O)(=O)N(CCCC(=O)Nc1ccc(C(=O)O)cc1)c1cc(Cl)ccc1Cl 14397569 ANORBRYTANQGRO-UHFFFAOYSA-N 445.324 3.877 0 40 IHAB COc1ccccc1-c1nc2n(n1)[C@H](c1cccnc1)C(C(=O)Nc1cccnc1)=C(C)N2 17243764 AABQRDVUPBHVIZ-OAQYLSRUSA-N 439.479 3.671 0 40 IHAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(NS(=O)(=O)c2cccs2)cc1 17605225 PGHFXSAYQKRAOJ-UHFFFAOYSA-N 441.534 3.928 0 40 IHAB Cc1ccsc1CN1CCc2nc([C@H]3CCCN3C(=O)C3CCCC3)[nH]c(=O)c2C1 19238668 JOZLCNPDHCOIMW-LJQANCHMSA-N 426.586 3.552 0 40 IHAB CCc1nc(=O)c2ccccc2n1C1=CCN(C(=O)c2cc(-c3ccc(C)o3)n[nH]2)CC1 19523117 ZUFGGFQVIOEWAI-UHFFFAOYSA-N 429.480 3.637 0 40 IHAB COc1ccc(CN2CCC[C@H](c3n[nH]cc3-c3ccnc(N4CCCC4)n3)C2)c(F)c1 19551765 QSUSPBGBAFDRRF-SFHVURJKSA-N 436.535 3.994 0 40 IHAB CN(C)c1ccc(NC(=O)CN2CCC[C@@H](n3c(=O)oc4ccc(Cl)cc43)C2)cc1 19584993 XZDDCODXPIWOBX-GOSISDBHSA-N 428.920 3.590 0 40 IHAB CC1CCN(C(=O)CN2CCO[C@H](c3nccnc3-c3cccc(C(F)(F)F)c3)C2)CC1 19693233 BKPFANDXBNMXKI-IBGZPJMESA-N 448.489 3.794 0 40 IHAB Cc1ncc(C(=O)NC2CCCCC2)c([C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)n1 19767092 KWJXRPZMUBQCSX-FQEVSTJZSA-N 446.548 3.512 0 40 IHAB Cc1ccc(Cl)cc1N(CC(=O)NCCCc1ccc(Cl)cc1)S(C)(=O)=O 22336872 IUQFYPHMOABIRP-UHFFFAOYSA-N 429.369 3.817 0 40 IHAB Cc1cc(S(=O)(=O)NCCCc2ccc(OC(C)C)cc2)ccc1N1CCCC1=O 22529824 KOQHUFQVTRIIPW-UHFFFAOYSA-N 430.570 3.820 0 40 IHAB CCN1CCN([C@H](c2ccccc2F)c2sc3nc(-c4ccco4)nn3c2O)CC1 22798524 XVZFRBUWZUMJIZ-QGZVFWFLSA-N 427.505 3.622 0 40 IHAB O=C(COCc1nc2ccccc2c(=O)[nH]1)N1CCc2sccc2[C@H]1c1ccccc1 25904085 HLGIQSCSQKBOHT-HSZRJFAPSA-N 431.517 3.676 0 40 IHAB CSc1nc2ccc(NC(=O)[C@H]3CS[C@H](Cc4ccccc4F)C(=O)N3)cc2s1 29648932 LDINLSAUXZVZOT-NVXWUHKLSA-N 447.582 3.939 0 40 IHAB CCOc1cc2c(cc1CNC(=O)[C@H]1CCCN1C(=O)Nc1ccc(F)cc1)O[C@H](C)C2 32934426 CBKKAKYPRQWGAL-FOIQADDNSA-N 441.503 3.861 0 40 IHAB CN1CCN(C(=O)c2nn3c(c2Cl)N[C@H](c2ccccc2)C[C@H]3C(F)(F)F)CC1 38180763 HWTPIFMCSOYGEI-KBPBESRZSA-N 427.858 3.584 0 40 IHAB CCN(CC(=O)NCc1ccccc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl 39985250 HFXMEUNCRCDWIN-UHFFFAOYSA-N 435.760 3.974 0 40 IHAB CC(C)NC(=O)CN1CCCN(C(=O)/C=C/c2ccc(-c3ccc(F)cc3)s2)CC1 40118588 ABAUYJHQWNVXNK-PKNBQFBNSA-N 429.561 3.626 0 40 IHAB Cc1ccc(Cn2c(=O)c3ccccc3n(CC(=O)Nc3ccc(C)cc3C)c2=O)cc1 40478460 BEXMLMHDVIRCRT-UHFFFAOYSA-N 427.504 3.775 0 40 IHAB COc1cc(/C=C\C(=O)NCCCC(=O)Nc2cccc3cccnc23)cc(OC)c1OC 49030694 COMJLDAJMMTBTK-QXMHVHEDSA-N 449.507 3.809 0 40 IHAB COc1ccc(C(=O)Oc2cccc(/C=c3\sc4nc5ccccc5n4c3=O)c2)cc1 59167740 RUUSFALOLPOVBJ-STZFKDTASA-N 428.469 3.685 0 40 IHAB COC(=O)c1cc(C)nc2nc(SCc3cc(Cl)c4c(c3)OCCCO4)[nH]c(=O)c12 65620999 PULIQAZVFSDEMA-UHFFFAOYSA-N 447.900 3.520 0 40 IHAB CCOc1ccccc1NC(=O)Cn1cc(-c2nc(-c3cccc(C)c3)no2)ccc1=O 67289486 GHPUCRHSIMKOKZ-UHFFFAOYSA-N 430.464 3.911 0 40 IHAB CCOCCCn1c(SCC(=O)N(C)c2cccc(C)c2)nc2ccccc2c1=O 67290899 VSPMCTGTZGOXQV-UHFFFAOYSA-N 425.554 3.887 0 40 IHAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CC[C@H](Oc3ccccc3Cl)C2)c1 84774003 LROAHZZMBHUNIR-KRWDZBQOSA-N 436.961 3.664 0 40 IHAB Cc1ccccc1NC(=O)c1ncn2c1CN(CCC(C)C)S(=O)(=O)c1ccccc1-2 96147533 RQIPEJHPQSCBRR-UHFFFAOYSA-N 438.553 3.983 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)c2ccc(Cl)cc2)cc1 100234044 QVTVCVYFQLXHOQ-ZOCZFRKYSA-N 448.972 3.849 0 40 IHAB CCn1/c(=N/C(=O)c2cc(OC)c(OC)c(OC)c2)sc2c(OC)ccc(OC)c21 100908722 XAMHLUSNENJOAV-DQRAZIAOSA-N 432.498 3.507 0 40 IHAB Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1C 102086898 PETUBCLFDBJPKL-RJQIIPCNSA-N 440.543 3.906 0 40 IHAB CCOc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(SC)cc3)CC2)c1 113955847 NLXYXVFGDVMQNE-UHFFFAOYSA-N 448.610 3.524 0 40 IHAB CC1CCN(S(=O)(=O)c2ccc(OCC(=O)Nc3ccc4sncc4c3)cc2)CC1 222752855 NQCMJUVOEUSHIL-UHFFFAOYSA-N 445.566 3.734 0 40 IHAB Cc1ccc(C)c(OCCNC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)c1 223993211 LQRYVKYSRJOKFT-UHFFFAOYSA-N 445.368 3.571 0 40 IHAB CC[C@H](C(=O)NCCOc1ccc(C)c(Cl)c1)N(c1ccccc1F)S(C)(=O)=O 224176312 DPAOPCQDLHCELZ-GOSISDBHSA-N 442.940 3.527 0 40 IHAB CN(c1ccc(Cl)c(C(=O)Nc2ccc(C(N)=O)cc2)c1)S(=O)(=O)c1ccccc1 224336758 YWNPOTDYYNOKPR-UHFFFAOYSA-N 443.912 3.516 0 40 IHAB CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)COc1ccccc1OC 224593714 ZAQKERVPDGHOSA-OAQYLSRUSA-N 426.557 3.962 0 40 IHAB Cc1c(Cl)cccc1N(CCCC(=O)NCCOCc1ccccc1)S(C)(=O)=O 224773953 LDFXRFFMDHTGQO-UHFFFAOYSA-N 438.977 3.528 0 40 IHAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1cc(OC)cc(OC)c1 225234409 ZSZFFCBQWONUQF-IRXDYDNUSA-N 446.519 3.554 0 40 IHAB COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(C)[nH]1 225677450 DHPOJGVGQQBRQC-FCHUYYIVSA-N 435.553 3.728 0 40 IHAB COC(=O)[C@H]1CN(C(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)c2ccccc2O1 225904380 IOUMJKRXAIVOLK-DYESRHJHSA-N 428.916 3.519 0 40 IHAB COc1ccc(F)cc1S(=O)(=O)N1CCC(c2cccc(Nc3ccccn3)n2)CC1 257208456 BMFCKXUDSIHBJU-UHFFFAOYSA-N 442.516 3.936 0 40 IHAB Cc1cc(C)cc(-c2cccc(CC3(C(=O)NCCN4CCN(C)CC4)CCOCC3)c2)c1 257269386 MPSUTYFOFOMAJG-UHFFFAOYSA-N 449.639 3.673 0 40 IHAB O=C(c1ccccc1CN1CCOCC1)N1CCC[C@@]2(CC1)CN(c1ccccc1)C(=O)O2 257285771 PIUFXHXNWAMTPH-AREMUKBSSA-N 449.551 3.541 0 40 IHAB CN(C)c1ncc(-c2ccc3ccccc3c2)c([C@H]2CCCN(C(=O)Cn3cccn3)C2)n1 257335432 YKCUVQDYHIDLRC-QFIPXVFZSA-N 440.551 3.966 0 40 IHAB O=C(Nc1cc(CCC2CCN(CC(=O)N3CCCC3)CC2)ccn1)c1ccc(F)cc1 257342223 ZNQDLTXKEMSBJO-UHFFFAOYSA-N 438.547 3.740 0 40 IHAB Cc1nc2c(n1C(C)C)CN(C(=O)c1ccn(C)n1)CC21CCN(Cc2ccccc2)CC1 306135592 OVKPLVMPEJXTRT-UHFFFAOYSA-N 446.599 3.696 0 40 IHAB CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(C(C)=O)c2)c(Cl)c1 408621728 MAJWFCZXSFLGAA-UHFFFAOYSA-N 438.933 3.639 0 40 IHAB COc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2ccc(OC)cc2OC)cc1 408645292 JTBKUDJFYJVGEP-UHFFFAOYSA-N 449.459 3.739 0 40 IHAB CCCCOC(=O)c1cccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(F)cc2)c1 408670037 WWVPLBOIADKMBT-UHFFFAOYSA-N 444.459 3.683 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCCSC(C)(C)C 408701599 AVWQRVKLFDBTFT-UHFFFAOYSA-N 428.620 3.521 0 40 IHAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(Cl)c1 409272790 SITGGXCYDIURQW-UHFFFAOYSA-N 431.341 3.945 0 40 IHAB CCC[C@@H](C)NC(=O)CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1 409388905 NRJUGBIYEAGRIG-OAHLLOKOSA-N 426.941 3.975 0 40 IHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 409409019 FTKNAQWNRFTIDE-ROUUACIJSA-N 445.585 3.625 0 40 IHAB Cn1cc(NC(=O)CCCCCN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@@H]23)cn1 524732699 KRLZAJIFFNQXHE-QHCPKHFHSA-N 443.507 3.734 0 40 IHAB O=C(CN1CC[C@]12CCCN(C(=O)c1ccc(Oc3ccccc3)cc1)C2)N1CCCC1 585101777 FWSNALBNYUAPFC-SANMLTNESA-N 433.552 3.782 0 40 IHAB O=C1NC[C@]2(CCCCCOc3ccc(Cl)cc31)CCCN(C(=O)Cn1cccn1)C2 643558498 DYGNMECEVJXOCF-QHCPKHFHSA-N 444.963 3.528 0 40 IHAB Cc1ccc(Br)c(C(=O)N2CCN(C(=O)N(C)Cc3ccccc3)CC2)c1 1630404748 AUKYTNABOALCGY-UHFFFAOYSA-N 430.346 3.767 0 40 IHAB CC(C)(C)CNCc1noc([C@@H]2CCC(=O)N2Cc2ccc(OC(F)(F)F)cc2)n1 1775963936 KPLDRZRBJANLQO-HNNXBMFYSA-N 426.439 3.968 0 40 IHAB biogenic,in-vitro Cc1c(Cl)cccc1N(CC(=O)Nc1cccc(Br)c1)S(C)(=O)=O 821268 VOACKPIXLQZCAY-UHFFFAOYSA-N 431.739 3.816 0 40 IHAB COc1ccc(CNC(=O)c2cc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)cc1OC 918138 XMAYDCYMBGTPBF-UHFFFAOYSA-N 446.385 3.955 0 40 IHAB Cc1cccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)c1 1003872 DYHLHHSTTAVBGH-UHFFFAOYSA-N 439.562 3.947 0 40 IHAB aggregator CC(C)(C)[C@@H]1CCc2c(sc3nnn(CC(=O)OCCOc4ccccc4)c(=O)c23)C1 1785018 JKLCVIQHFZMIMG-OAHLLOKOSA-N 441.553 3.626 0 40 IHAB COC(=O)c1c(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)sc2c1CCCC2 3289609 CTAJOMNRHITOAZ-UHFFFAOYSA-N 448.850 3.886 0 40 IHAB O=C(CSc1ncnc2ccccc12)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 3297272 KDEAHLYALIQACK-UHFFFAOYSA-N 442.566 3.535 0 40 IHAB C[C@@H]1CN(C(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(F)cc2)C[C@@H](C)O1 3465788 IXYVXCHYUAJQTK-HZPDHXFCSA-N 426.517 3.801 0 40 IHAB CCCCNC(=S)N(Cc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 6149811 SOXQNYMPQHZYGD-UHFFFAOYSA-N 437.565 3.976 0 40 IHAB COc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CCCCCC3)cc2c1 6282738 GCRITCMZMXDLIG-HSZRJFAPSA-N 444.539 3.537 0 40 IHAB Cc1c(C)c2c(OCC(=O)NCCCOC(C)C)cc3c(c2oc1=O)CCC(C)(C)O3 8490503 KDHAVEZFAXSEIG-UHFFFAOYSA-N 431.529 3.824 0 40 IHAB biogenic COc1ccc(CNC(=O)[C@H](NS(=O)(=O)c2c(Cl)cccc2Cl)C(C)C)cc1 8988192 UBAVIMYNZVRULR-QGZVFWFLSA-N 445.368 3.621 0 40 IHAB COc1ccccc1C(=O)N1[C@H]2CCCC[C@H]2NC(=O)[C@H]1CC(=O)Nc1ccc(C)c(C)c1 9123886 PTBCTVVKUYENGB-BHIFYINESA-N 449.551 3.593 0 40 IHAB O=C(Nc1ccc2c(c1)OCCCO2)c1nn(Cc2ccccc2)c(=O)c2ccccc12 9385474 ZFFDCRAYFSOGGV-UHFFFAOYSA-N 427.460 3.858 0 40 IHAB O=C(COc1ccc2ccccc2c1)Nc1nnc(SCC(=O)N2CCCCC2)s1 9391041 BAECBXKLXBLJPV-UHFFFAOYSA-N 442.566 3.813 0 40 IHAB C[C@@H](NC(=O)CN1CCC(C(=O)N2CCCCCC2)CC1)c1ccc2c(c1)CCCC2 9501936 IHKODRLMZOQQQS-HXUWFJFHSA-N 425.617 3.857 0 40 IHAB O=C(Nc1ccc(Br)cc1F)c1cccn(OCc2ccccc2F)c1=O 9599681 RAVDUMZARMBPJF-UHFFFAOYSA-N 435.224 3.770 0 40 IHAB COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(F)c(C(F)(F)F)c1 9660334 VNTGUSAOUBWUGC-UHFFFAOYSA-N 425.313 3.790 0 40 IHAB O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)Nc1ccccc1N1CCCC1=O 9669897 WHVZZPQBINUHFD-UHFFFAOYSA-N 444.516 3.891 0 40 IHAB COc1ccc([C@H]2C(C(=O)Nc3ccccc3OC)=C(C)Nc3nc(SC)nn32)cc1 9942448 BEJSRJXRUAQJJK-IBGZPJMESA-N 437.525 3.945 0 40 IHAB COc1ccc(CN(C)C(=O)CCCN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 10359081 QVKTUCBAOVZQLJ-UHFFFAOYSA-N 438.977 3.862 0 40 IHAB COc1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2nc(-c3ccccc3)cs2)cc1 11610219 AKLVBOCYLMAPIK-UHFFFAOYSA-N 445.566 3.858 0 40 IHAB Cc1cc(C(=O)COC(=O)C[C@@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)c(C)n1C 12426263 AGVACXOXDLNUIW-KRWDZBQOSA-N 440.443 3.890 0 40 IHAB COc1ccc(OC)c(NC(=O)COc2cc(C(C)(C)C)nn2-c2nc(C)cc(C)n2)c1 12443794 YTSFCVPASKADFZ-UHFFFAOYSA-N 439.516 3.611 0 40 IHAB CCOc1ccc(NC(=O)CCCc2nc3ccccc3s2)cc1S(=O)(=O)N(C)C 12690001 HRFVTBSQHSDHTL-UHFFFAOYSA-N 447.582 3.907 0 40 IHAB O=C(NCC1CCCCC1)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 12735476 UJFHDSSSLCGEFS-UHFFFAOYSA-N 448.507 3.682 0 40 IHAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc4c(c3)Cc3ccccc3-4)C2=O)cc1 12795158 CEZVXQHIPPIOCI-AREMUKBSSA-N 425.488 3.972 0 40 IHAB O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1Br 12978932 AZAIPUCHVLEJPN-UHFFFAOYSA-N 437.359 3.554 0 40 IHAB CC(=O)N[C@H](Cc1ccc(C(C)C)cc1)C(=O)NC1CCN(C(=O)c2ccc(C)cc2)CC1 13085060 PEQYAHBDROLPQT-RUZDIDTESA-N 449.595 3.587 0 40 IHAB Cc1cc(-c2ccccc2)nc(SCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)n1 13163694 QSCJPAXGZNLAIL-LJQANCHMSA-N 445.610 3.502 0 40 IHAB CC(C)c1nc2sc3c(N(C[C@H](C)O)C[C@@H](C)O)ncnc3c2c2c1COC(C)(C)C2 13769202 NXAUCXXODAHPJW-OKILXGFUSA-N 444.601 3.782 0 40 IHAB Cc1ccc(OCC(=O)c2cc(C)n([C@H]3CCS(=O)(=O)C3)c2C)c(Br)c1 14241921 RYHIACYJUGEROW-HNNXBMFYSA-N 440.359 3.797 0 40 IHAB Cc1ccccc1Nc1nc(N)nc(CSc2nnc(COc3ccc(F)cc3)o2)n1 16678013 BNQZLMJJXYFVPQ-UHFFFAOYSA-N 439.476 3.899 0 40 IHAB O[C@H](CN1CCC(O)(c2ccc(C(F)(F)F)cc2)CC1)c1ccc2c(c1)OCCCO2 19332974 IRJKHMSQQMWFOZ-LJQANCHMSA-N 437.458 3.884 0 40 IHAB O=C(c1ccncc1)N1CCC(O)(Cn2ncc3cc(Nc4ccc(F)cc4)ccc32)CC1 19335663 GSVBJXRSQWGRFE-UHFFFAOYSA-N 445.498 3.981 0 40 IHAB O=C(c1ccc2ccccc2c1)[C@H]([C@@H](c1ccccc1)N1CCOCC1)N1CCOCC1 19366039 CQVAZCMDGXTNBW-FTJBHMTQSA-N 430.548 3.797 0 40 IHAB CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(CCC(=O)N4CCCC4)cc3)[nH]n2)c1C 19523865 VIJACXKFZFQPHK-UHFFFAOYSA-N 434.544 3.717 0 40 IHAB COc1cccc(C(=O)N2CCNC(=O)[C@@H](Cc3ccccc3-c3ccccc3OC)C2)c1 19564643 RZOGQGMKZNSQDV-NRFANRHFSA-N 444.531 3.802 0 40 IHAB Cc1ccc(C)c([C@H]2CCCN2C(=O)Cn2cccc(C(=O)NCc3ccccc3)c2=O)c1 19750533 CRJZKFAASDPNTF-XMMPIXPASA-N 443.547 3.759 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccc(-n3ccnc3)cc2)cc1 20492469 SFCNFXBMOUIMGP-UHFFFAOYSA-N 446.532 3.912 0 40 IHAB Cc1ccc([C@@H](C)NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1C 22334736 WISOJRXVIJIPSC-OAHLLOKOSA-N 428.476 3.966 0 40 IHAB O[C@H](COc1ccccc1-c1ccccc1)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 22918032 NYMZQKZQOCHLAX-QHCPKHFHSA-N 446.547 3.640 0 40 IHAB O=C(c1csc(Nc2ccc(OC(F)F)cc2)n1)N1CCN(c2ccccn2)CC1 23136875 OMQKHEFAIIRGRQ-UHFFFAOYSA-N 431.468 3.846 0 40 IHAB COCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)c(Cl)c2)n2c1nc1ccccc12 23411204 VWJLPNSMQFDQDT-GOSISDBHSA-N 430.867 3.782 0 40 IHAB Cc1cc(N)nc(SCC(=O)N(C/C=C/c2ccccc2)c2ccc3c(c2)OCCO3)n1 24835594 XYZDVPWIABXDSL-VMPITWQZSA-N 448.548 3.977 0 40 IHAB CN(c1ccc2sc(C(=O)NC[C@@H]3CCCO3)cc2c1)S(=O)(=O)c1ccc(F)cc1 28209057 YLSROTKCJIZJHS-KRWDZBQOSA-N 448.541 3.774 0 40 IHAB COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C(=O)N(C)C)cc1Br 31776718 VGVDQKYBEQYROQ-UHFFFAOYSA-N 447.738 3.614 0 40 IHAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N3CCN(Cc4ccccc4)CC3)c12 32899919 LNDWOBKERAMRIH-UHFFFAOYSA-N 425.536 3.902 0 40 IHAB CCc1cc(C(=O)Nc2ccc(CC(=O)N3CCN(c4ncccn4)CC3)cc2)sc1C 32913190 JRIAXZYLYHMQBD-UHFFFAOYSA-N 449.580 3.553 0 40 IHAB CCc1ccc(NC(=O)NCc2cc(=O)n3nc(-c4ccc(OC)cc4)sc3n2)cc1 32996072 LXXIOQAGNDCZGT-UHFFFAOYSA-N 435.509 3.711 0 40 IHAB CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=S)NC(=O)/C=C/c2ccco2)CC1 33769424 JMSVMQLYZFNUNZ-SOFGYWHQSA-N 446.960 3.518 0 40 IHAB O=C(NCCOc1ccc2nnc(-c3ccccc3)n2n1)C1(c2cccs2)CCCC1 38499773 GQTZGWOAUXRZIB-UHFFFAOYSA-N 433.537 3.860 0 40 IHAB CCOc1cccc2sc(N3CCN(C(=O)NCCc4ccc(OC)cc4)CC3)nc12 38548386 XTMPAVCXYZAYLO-UHFFFAOYSA-N 440.569 3.778 0 40 IHAB NC(=O)c1cccc(CN(Cc2ccccc2)C(=O)c2ccc(N3CCCC3=O)cc2)c1 40158068 PNZOQEWOMMOVGS-UHFFFAOYSA-N 427.504 3.755 0 40 IHAB CCCn1nc(C(=O)N(c2cnn(C)c2)[C@@H](C)c2cccc(OC)c2)c2ccccc2c1=O 48309224 NXGGSGSXIZYGHZ-KRWDZBQOSA-N 445.523 3.957 0 40 IHAB Cc1ccc(-c2noc(Cn3c(=O)n(-c4cccc(C)c4)c(=O)c4sccc43)n2)cc1 48989086 NXOBFDSQRSOKLO-UHFFFAOYSA-N 430.489 3.929 0 40 IHAB O=C(CN1CC(c2nc(-c3cccnc3)no2)C1)Nc1cc(C(F)(F)F)ccc1Cl 49483655 UNLCXPRNTUGODD-UHFFFAOYSA-N 437.809 3.842 0 40 IHAB O=C(CN[C@@H](c1ccccc1)c1ccc(Cl)cc1)NCC(=O)Nc1ccc(F)cc1 57381173 DPTHGRAFPCPAMM-QHCPKHFHSA-N 425.891 3.913 0 40 IHAB COC(=O)c1ccc(NC(=O)Cn2c(-c3cccc(Cl)c3)nc(C)c(C)c2=O)cc1 57528197 DKSFITKARHDNRX-UHFFFAOYSA-N 425.872 3.606 0 40 IHAB O=c1oc2ccccc2n1CCCN1CCN(Cc2ccc(Br)s2)CC1 70019429 XTWUNKCHEPSHTG-UHFFFAOYSA-N 436.375 3.626 0 40 IHAB Cc1ccc(NC(=O)c2nnn(CC(=O)NCc3ccccc3Cl)c2C)c(Cl)c1 71327095 OGQHJTWAHQJTFM-UHFFFAOYSA-N 432.311 3.770 0 40 IHAB COc1ccc(Cl)cc1NC(=O)c1sc2ncn(C[C@@H]3CCCO3)c(=O)c2c1C 80345583 VRCDNHUQIVXWHR-ZDUSSCGKSA-N 433.917 3.860 0 40 IHAB O=C(c1cccc2ccccc12)N1CCC[C@H](C(=O)N2CCC([C@H](O)C(F)(F)F)CC2)C1 89873170 TXIJDOHWZPRMAP-RXVVDRJESA-N 448.485 3.854 0 40 IHAB COc1cccc([C@@H](O)CN(Cc2ccccc2)S(=O)(=O)c2cc(F)ccc2F)c1 95462027 FPXQWGCPNKRUIX-NRFANRHFSA-N 433.476 3.898 0 40 IHAB CS[C@H]1CN(C(=O)Nc2cccc(COCCOc3ccccc3)c2)C[C@@H]1N(C)C 95996499 CWXTUUJFTIGVFC-VXKWHMMOSA-N 429.586 3.792 0 40 IHAB COc1ccc(CN2CCC3(CC2)C[C@@H](CC(=O)N2CCN(C)CC2)c2ccccc23)cc1 96052939 DNRREPBVDHTBMY-HSZRJFAPSA-N 447.623 3.880 0 40 IHAB O=C(Nc1ccc(I)cc1)c1c(O)c2cccc3c2n(c1=O)CCC3 100326464 UJLCNKRHOVOMNX-UHFFFAOYSA-N 446.244 3.510 0 40 IHAB COc1ccc(OC)c(NC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@H]6C[C@H]56)[C@H]4C3=O)c2)c1 100869250 QXSLRTUWBUCMBW-FXSVLNLJSA-N 444.487 3.514 0 40 IHAB CCCCN1C(=O)[C@H]2[C@@H]3C=Cc4ccc5cccnc5c4N3[C@H](C(=O)C(C)(C)C)[C@@H]2C1=O 101475825 SZVXYWDZONQOJK-VWNVYAMZSA-N 431.536 3.835 0 40 IHAB CC(C)c1[nH]ncc1C(=O)OCC(=O)NCC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 101759697 KXRNYRJIOZIPQD-RCRDTURJSA-N 438.366 3.540 0 40 IHAB COC(=O)c1cc(NC(=O)COc2ccc(I)cc2)ccc1Cl 105747602 CDCNSGFYZKXFPP-UHFFFAOYSA-N 445.640 3.749 0 40 IHAB CCOc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)cc1Br 106765665 XVDIZQGARFDQCT-GDNBJRDFSA-N 439.331 3.507 0 40 IHAB CC1(C)C[C@H](NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c2ccccc2O1 219256544 DSLGTOLHNUNNIN-KRWDZBQOSA-N 434.583 3.567 0 40 IHAB Cc1noc(C)c1-c1cc([C@@](O)(c2cccnn2)[C@@H]2CCCO2)c2nc(C3CC3)[nH]c2c1 219392289 NOLOEUZMYMVHJL-GBXCKJPGSA-N 431.496 3.917 0 40 IHAB COc1ccc(N([C@@H](C)C(=O)NCc2cccc3ccccc23)S(C)(=O)=O)cc1Cl 222853627 MOORSTIKANKCOZ-HNNXBMFYSA-N 446.956 3.973 0 40 IHAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(OC)c(OC)c1 223762546 XILSJLCIDLFNFH-INIZCTEOSA-N 432.948 3.843 0 40 IHAB CCOc1ccccc1CNC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)cc2)c1 224042952 CQFDDVIZMKKBGM-UHFFFAOYSA-N 440.521 3.825 0 40 IHAB COc1ccc(S(=O)(=O)Nc2cccc(C(=O)N(C)Cc3ccccc3F)c2)cc1 224098067 POIDQDHSSFCNAP-UHFFFAOYSA-N 428.485 3.907 0 40 IHAB COc1cc2c(cc1S(=O)(=O)N(C)Cc1nc(-c3ccccc3C)no1)CCCC2 224111507 XQFISOCZJCKZQY-UHFFFAOYSA-N 427.526 3.753 0 40 IHAB Cc1ccc(-c2nnc(NC(=O)CN(c3cc(C)ccc3C)S(C)(=O)=O)s2)cc1 225789116 CEMANDIEXHKBGX-UHFFFAOYSA-N 430.555 3.535 0 40 IHAB S=C(Nc1nc(Sc2ncccn2)cc(Sc2ncccn2)n1)NC1CCCC1 226006582 BPULYWFAJQFTJT-UHFFFAOYSA-N 442.599 3.588 0 40 IHAB Cc1cccc(Nc2cncc(C3CCN(S(=O)(=O)c4ccc(F)c(C)c4)CC3)n2)n1 257217407 CYUGVRGFXUSRGS-UHFFFAOYSA-N 441.532 3.939 0 40 IHAB CN(CCCc1nc(N(C)CCOc2ccccc2F)ncc1C(=O)O)c1ccccc1 257314758 UYIGEYBXUVYSTP-UHFFFAOYSA-N 438.503 3.898 0 40 IHAB CCc1nc(O)c(C(=O)N2CCN(C)C(=O)[C@@H]2Cc2cccc(-c3ccccc3)c2)cc1C 257326703 WYFWVJRTEMLHPG-DEOSSOPVSA-N 443.547 3.851 0 40 IHAB CC(C)NC(=O)c1nnc2n1C[C@@H]1N(Cc3ccsc3)CC[C@@]1(c1ccccc1)CC2 306139473 SYFGYOLRUYMCCE-GBXCKJPGSA-N 435.597 3.637 0 40 IHAB CC(C)n1cc2c(n1)C1(CCN(c3ncccn3)CC1)CN(C(=O)c1ccccc1F)C2 306143391 YBBGOKLADGTEHG-UHFFFAOYSA-N 434.519 3.587 0 40 IHAB COc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc(Cl)c2Cl)cc1 408662931 OFUVIOKAGBHYQY-UHFFFAOYSA-N 425.268 3.903 0 40 IHAB Cc1cc(C)cc(NC(=O)COC(=O)CCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)c1 408663247 MQSAXYMGLDKTGS-UHFFFAOYSA-N 440.496 3.769 0 40 IHAB Cc1ccccc1CSCCNC(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 409029333 ZIEVCXXTSQFKDB-UHFFFAOYSA-N 441.018 3.772 0 40 IHAB CCn1cc(CN(C)C(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccco2)N3)c(C)n1 919696 IOJSWBMPAAXLFC-YOEHRIQHSA-N 436.438 3.933 0 40 IHAB Cc1cc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)ccc1Br 2467663 DWUOBIXMEOVEIB-ZDUSSCGKSA-N 443.388 3.858 0 40 IHAB COc1cc2c(cc1NC(=O)COC(=O)CNC(=O)c1ccccc1)oc1ccccc12 3240355 LMIPZILHOJAVAV-UHFFFAOYSA-N 432.432 3.506 0 40 IHAB CCOC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)c1C 3300178 YSMCQKLGUHZKHZ-VWLOTQADSA-N 447.491 3.611 0 40 IHAB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)cc1)c1ccc(Cl)cc1 4157421 QRAHNFQZHBZFJQ-GQSCTRQFSA-N 437.879 3.915 0 40 IHAB CC(C)CNC(=S)N(Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 6015131 NFSBJEITJUMFMS-UHFFFAOYSA-N 443.594 3.894 0 40 IHAB CCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(OC)c(OC)c3)cc2Cl)CC1 6077390 AFSOCKQRLUFLHQ-UHFFFAOYSA-N 431.920 3.668 0 40 IHAB CC1CCN([C@H](C)C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)CC1 7389293 RQIWRBKCHOXGHD-MRXNPFEDSA-N 427.998 3.574 0 40 IHAB Cc1ccc(C)c(-n2c(S[C@@H](C)C(=O)NC(N)=O)nnc2-c2ccccc2Cl)c1 8720475 GMKNQCKYVHVTNG-ZDUSSCGKSA-N 429.933 3.880 0 40 IHAB COc1cccc(C(=O)NC(=S)Nc2nc3ccc(C(=O)OC(C)C)cc3s2)c1 8903786 WBOJDMZMJMXNCA-UHFFFAOYSA-N 429.523 3.997 0 40 IHAB COc1ccccc1NC(=O)[C@@H](C)n1cnc2sc(C(=O)OC(C)C)c(C)c2c1=O 8926991 VSIGVPKHTSMILA-CYBMUJFWSA-N 429.498 3.540 0 40 IHAB C[C@H](C(=O)N1c2ccccc2NC(=O)C1(C)C)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 8944177 HINGKRMEOHQUMK-VQIMIIECSA-N 435.524 3.747 0 40 IHAB CCOc1cccc(C(=O)NC(=S)Nn2c(CC)nnc2SCc2ccccc2)c1 9142234 PNCBVKOZQKXHDA-UHFFFAOYSA-N 441.582 3.790 0 40 IHAB CC[C@H](Sc1nnc(-c2ccncc2)n1-c1ccccc1)C(=O)Nc1nnc(C)s1 9147069 TYCHZHWWAVBJNQ-INIZCTEOSA-N 437.554 3.999 0 40 IHAB COc1ccc(C(=O)NCCc2csc3nc(-c4ccc(F)cc4)nn23)cc1OC 9568897 LHEPMFZXQWNUSZ-UHFFFAOYSA-N 426.473 3.587 0 40 IHAB CCn1c(SCC(=O)Nc2ccc(N3CCOCC3)cc2)nnc1-c1cccs1 9616718 QOMCFJXNKVSTHO-UHFFFAOYSA-N 429.571 3.594 0 40 IHAB COc1cccc(-c2nnn(CC(=O)N(CCc3ccccc3)Cc3ccccc3)n2)c1 9691401 JBHQYHWHANCTBG-UHFFFAOYSA-N 427.508 3.620 0 40 IHAB O=C(C1CCN(Cc2ccc(Br)cc2)CC1)N(CCO)Cc1ccccc1 9763073 YOZFIBJHPUFZLU-UHFFFAOYSA-N 431.374 3.682 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cncc(Br)c1 9783770 JBTVBRCNGSJHPR-UHFFFAOYSA-N 438.347 3.579 0 40 IHAB Cc1cc(Cl)ccc1OCC(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 10216425 SPEGYNSXHGCAQO-UHFFFAOYSA-N 430.888 3.633 0 40 IHAB O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1nnc(-c2ccc3c(c2)CCCC3)o1 10220604 WMYCBXVWAVGRTE-UHFFFAOYSA-N 429.473 3.557 0 40 IHAB COc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)c(OC)c1 10272040 KVVAEROSHDQFDR-UHFFFAOYSA-N 432.542 3.829 0 40 IHAB CCOCc1c(C(=O)OCC(=O)N(C)CC(=O)Nc2ccc(C)cc2)oc2ccccc12 11242990 LKOSSHYZNMJJLS-UHFFFAOYSA-N 438.480 3.532 0 40 IHAB Cc1cccc(OCC(=O)Nc2ccc3c(c2)CN(S(=O)(=O)c2ccccc2)CC3)c1 11613149 MYUQHVPMXRWPKT-UHFFFAOYSA-N 436.533 3.760 0 40 IHAB Cc1cc(S(=O)(=O)N2CCN(c3ccc(-c4ccc(Cl)cc4)nn3)CC2)ccc1F 11695360 NYSZGVFYGIUWBW-UHFFFAOYSA-N 446.935 3.755 0 40 IHAB Cc1ccc(CN2CCC(O)(Cn3cnc4sc5c(c4c3=O)CC[C@@H](C)C5)CC2)o1 12188499 JGNJWGMXSOMVEP-OAHLLOKOSA-N 427.570 3.511 0 40 IHAB CC[C@@H]1CO[C@@H](c2cccc(OC)c2)c2c3c(c(-c4ccccc4)n21)c(=O)n(C)c(=O)n3C 12419170 KWTCLVGDXDUYKP-KOSHJBKYSA-N 445.519 3.785 0 40 IHAB CN(C(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)[C@H]1CCS(=O)(=O)C1 12529727 LBCJYYIZCLJNEP-SFHVURJKSA-N 442.562 3.746 0 40 IHAB O=C(CNC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1)Nc1ccccc1Br 12602082 INCPRUSJHCZZPX-UHFFFAOYSA-N 433.693 3.861 0 40 IHAB CN(Cc1nc2ccccc2s1)C(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1 12620283 PQSAOLFQQCVEIG-UHFFFAOYSA-N 441.534 3.640 0 40 IHAB COc1ccc(-c2csc(NC(=O)c3ccc4c(c3)C[C@H](C)N4S(C)(=O)=O)n2)cc1 12986331 YRSOOLLCTQWHQO-ZDUSSCGKSA-N 443.550 3.782 0 40 IHAB Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N3CCc4ccccc4C3)CC2)c(C)c1 13008144 OYZPNXUATFWJMX-UHFFFAOYSA-N 426.582 3.597 0 40 IHAB CS(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)c1 13011995 YFTLIQXWFQNWCG-UHFFFAOYSA-N 444.944 3.981 0 40 IHAB Cc1c(NC(=O)[C@H](C)Sc2ncnc3sccc23)c(=O)n(-c2ccccc2)n1C 13115457 RTALUNNDIRHPPQ-ZDUSSCGKSA-N 425.539 3.608 0 40 IHAB CCOc1ccc(NC(=O)CCCCCN2C(=O)[C@@H]3Cc4ccccc4CN3C2=O)cc1 13591325 FECNAZVOXUPXNG-QFIPXVFZSA-N 435.524 3.973 0 40 IHAB CC(=O)c1ccc(NC(=O)CSc2nc(-c3cc(Br)ccc3O)n[nH]2)cc1 13941999 POKLODGOTNWIRC-UHFFFAOYSA-N 447.314 3.873 0 40 IHAB O=C(Cn1c(-c2cccs2)n[nH]c1=S)N1CCN(C/C=C/c2ccccc2)CC1 14233422 KRBDLOVHACWJSC-XBXARRHUSA-N 425.583 3.527 0 40 IHAB NC(=O)c1ccc(CN(Cc2ccccc2Cl)S(=O)(=O)c2ccccc2F)cc1 14323338 TWOZOJAXEZJGLG-UHFFFAOYSA-N 432.904 3.969 0 40 IHAB O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(I)cc1 14862813 PZWGMPNIAQDMDC-UHFFFAOYSA-N 449.697 3.747 0 40 IHAB CCOc1c(Br)cc(C(=O)OCC(=O)N(C)C2CCCCC2)cc1OC 16049246 ULMSUXQSNWBELB-UHFFFAOYSA-N 428.323 3.804 0 40 IHAB C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc2ccccc12 16090622 JHDZLMUOXOCQBX-QGZVFWFLSA-N 444.578 3.664 0 40 IHAB COc1cccc(CN(C(=O)c2oc3ccc(F)cc3c2C)[C@@H]2CCS(=O)(=O)C2)c1 16752792 RGHLPBVHCKRLPP-QGZVFWFLSA-N 431.485 3.718 0 40 IHAB CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)[C@@H]3COc4ccc(Cl)cc4C3)ccc21 16810317 JPEBDPXKDBSBJT-UGSOOPFHSA-N 427.884 3.615 0 40 IHAB Cn1ccnc1[C@@H](NC(=O)CCC(=O)c1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 16975292 FQKBVECUGJMVOF-QFIPXVFZSA-N 439.899 3.713 0 40 IHAB COc1ccc(NC(=O)C2=C(C)Nc3nc(SC)nn3[C@H]2c2ccccc2OC)cc1 17057168 BASPDKMFGXPUDG-IBGZPJMESA-N 437.525 3.945 0 40 IHAB Cc1ccc(C(=O)N2CCC[C@H](c3nc(N4CCOCC4)ncc3-c3cccnc3)C2)cc1 19135197 LWUQEDQUPYMWRK-QFIPXVFZSA-N 443.551 3.703 0 40 IHAB Cc1ccc(-c2cccc(C[C@@]3(C(N)=O)CN(C(=O)Cc4ccccc4)CCO3)c2)cc1 19212690 AVSHJLMNTMSXQV-MHZLTWQESA-N 428.532 3.530 0 40 IHAB COc1cccc(CC(=O)N[C@@H](c2cc(O)n3nc(-c4ccccn4)cc3n2)C(C)C)c1 19445438 OBIPYUATHFFKDJ-XMMPIXPASA-N 431.496 3.562 0 40 IHAB COc1cccc2[nH]c(C(=O)N3CCCC[C@@H]3c3nc(O)c4c(n3)CN(C(C)C)CC4)cc12 19448353 UNYNQPLFCAAEGP-OAQYLSRUSA-N 449.555 3.806 0 40 IHAB CCn1cc(CN2CCC(C[C@H]3CC(c4ccccc4F)=NO3)(C(=O)O)CC2)c(C)n1 19524519 YAEHSLNCLQQNTA-GOSISDBHSA-N 428.508 3.601 0 40 IHAB CN1CCc2nc([C@@H]3CCCCN3C(=O)CCCc3ccc(F)cc3)nc(N(C)C)c2C1 19752432 LPRPBEGAYGFDEI-QFIPXVFZSA-N 439.579 3.746 0 40 IHAB CN1CCc2nc([C@H]3CCCCN3C(=O)CCCc3ccc(F)cc3)nc(N(C)C)c2C1 19752434 LPRPBEGAYGFDEI-JOCHJYFZSA-N 439.579 3.746 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(F)cc2)Cc2ccccc2F)cc1 20012150 WORGIPGPEKSXIZ-UHFFFAOYSA-N 444.503 3.781 0 40 IHAB C[C@H]1C(=O)N(CC(=O)N[C@H](C)c2ccc(Br)cc2)C(=O)N1c1ccc(F)cc1 21268540 SILRDHYVZKQFAU-OLZOCXBDSA-N 448.292 3.623 0 40 IHAB CC(C)c1ccc(N(CC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)cc1 22330181 UQGOQMGGRJHOMS-HXUWFJFHSA-N 430.570 3.995 0 40 IHAB Cc1ccc(CNC(=O)Cn2nc(C3CC3)c3cnn(-c4cccc(Cl)c4)c3c2=O)cc1 22767967 IEKNFDJDNZDHTB-UHFFFAOYSA-N 447.926 3.738 0 40 IHAB CN(CC(=O)Nc1ccccc1Br)[C@H](C(=O)N1CCCC1)c1ccccc1 23038621 AATNIQAFWDZKCJ-FQEVSTJZSA-N 430.346 3.683 0 40 IHAB COc1ccc([C@@H](c2sc3nc(C)nn3c2O)N2CCN(c3ccccc3)CC2)cc1 23157302 HSKWYULIMUXNMR-FQEVSTJZSA-N 435.553 3.725 0 40 IHAB COc1ccc(CNC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2)cc1 26090227 PCPSVIBYNFQMDP-UHFFFAOYSA-N 437.546 3.864 0 40 IHAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc(OC(=O)c2ccco2)cc1 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3.920 0 40 IHAB O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)NC1CCN(C(=O)c2ccoc2)CC1 58880369 KLERQMZIAYADHH-UHFFFAOYSA-N 447.417 3.910 0 40 IHAB COC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)CN1CCN(c2ccccc2F)CC1 61935569 KSJWHWCALXYLOX-UHFFFAOYSA-N 444.894 3.508 0 40 IHAB CN(C1CCCCC1)S(=O)(=O)N1CCC2(CC1)C[C@H]2c1nnc(-c2ccccc2)o1 71889712 TVAGHYGZYDXRSS-IBGZPJMESA-N 430.574 3.815 0 40 IHAB COc1cc(C(=O)N2[C@H](C(=O)O)COC23CCC(C(C)(C)C)CC3)cc(OC)c1OC 71980453 TXKKJUJTJWKYDE-PMFMOCITSA-N 435.517 3.571 0 40 IHAB CCOc1ncc([C@]2(O)CCC[C@H]3CN(Cc4ccc(F)c(F)c4)C[C@@H]32)c(OCC)n1 72343034 CJBITCUMRHTKEM-TXBYWVTISA-N 433.499 3.672 0 40 IHAB COc1ccc(Cc2cc(C)nc([C@@H]3CCCN(C(=O)c4cnc(N)nc4C)C3)c2)cc1 72354048 IEIIBOMSZNZTJE-HXUWFJFHSA-N 431.540 3.690 0 40 IHAB C[C@H]1Cc2cc(CN3CCNC(=O)[C@H](Cc4ccc(-c5ccncc5)cc4)C3)ccc2O1 72388972 MFOUOGIBOBVVPZ-UQBPGWFLSA-N 427.548 3.863 0 40 IHAB COC(=O)c1cc(S(=O)(=O)N(Cc2ccc(OC)cc2)c2nccs2)ccc1C 79001487 PPFUSKFCFRMLIA-UHFFFAOYSA-N 432.523 3.642 0 40 IHAB CN(C)S(=O)(=O)c1cccc(CN(Cc2ccccc2)C[C@H](O)c2ccsc2)c1 83852281 SDDXZIYNIZVFET-QFIPXVFZSA-N 430.595 3.734 0 40 IHAB Cc1ccc2c(CN3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)cc(=O)oc2c1 89665776 IUNHVUHVPBGURM-UHFFFAOYSA-N 440.565 3.731 0 40 IHAB COc1ccc([C@@](C)(O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 89904834 IFEVOXKDMXJQPQ-RBUKOAKNSA-N 429.460 3.775 0 40 IHAB Cc1cc(Br)ccc1NC(=O)CNC(=O)c1cncnc1-c1ccccc1 95462467 LLFIZFNMNIOHSO-UHFFFAOYSA-N 425.286 3.583 0 40 IHAB CCN1CCN(CC(=O)Nc2oc3ccc(Cl)cc3c(=O)c2-c2ccccc2)CC1 101990572 DNULNTBDUBJACO-UHFFFAOYSA-N 425.916 3.689 0 40 IHAB Cc1ccc(C)c(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1 102086426 HONXHCHJQHOCID-SATZIVDQSA-N 440.543 3.906 0 40 IHAB C[C@@H]1CN(CCc2cccc(NC(=O)[C@H](c3ccccc3F)N3CCOCC3)c2)C[C@H]1C 108169087 OQEVALRCYGSVKT-FHAGJXEFSA-N 439.575 3.968 0 40 IHAB C[C@H]1CN(C(=S)S[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)C[C@@H](C)O1 215685544 MOKVWULACIIHPM-ISTVAULSSA-N 433.382 3.753 0 40 IHAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(OC)cc1 222684106 QRDOUBNHKRVVIB-ZDUSSCGKSA-N 425.312 3.544 0 40 IHAB CN(C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1ccc(F)cc1 222716999 RMZJOPSRFGJSPS-UHFFFAOYSA-N 432.448 3.807 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCc1cccc2ccccc12)c1ccc(F)c(F)c1 222887860 KDKGFKMSCQADII-UHFFFAOYSA-N 432.492 3.981 0 40 IHAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1ccccc1C(F)(F)F 223058759 OHKGAYKDFXSSMA-UHFFFAOYSA-N 430.448 3.536 0 40 IHAB CCOC(=O)N1CCN(C(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(C)c2)CC1 223084832 CMFHKJKSEYIKRA-UHFFFAOYSA-N 435.524 3.502 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)Cc2ncc(C(=O)Nc3cccc(Cl)c3)cn2)cc1 223382562 SIHUVOXYTGCWTH-UHFFFAOYSA-N 430.917 3.511 0 40 IHAB COc1ccc(C)cc1N(CC(=O)NCC1CCCCC1)S(=O)(=O)c1ccccc1 223510300 OXYKUXKCAWIGJE-UHFFFAOYSA-N 430.570 3.895 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCc2ccc(F)cc2)c2ccc(F)cc2)cc1 223593327 NBGSRDGNKYSLRM-UHFFFAOYSA-N 444.503 3.827 0 40 IHAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)CCc1ccc2c(c1)OCCO2 224083716 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CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)c1ncccc1O)[C@@H]2Cc1ccccc1 257242182 IBKOXNLMJNGMDH-OZOJTDJHSA-N 433.552 3.793 0 40 IHAB CCOc1ncccc1C(=O)N1CCNC(=O)[C@H]1Cc1ccccc1-c1cccc(C)c1 257272218 NBMMBAIPKZVUTO-HSZRJFAPSA-N 429.520 3.639 0 40 IHAB CCCN1CCN(C(=O)c2cnn(C)c2C)[C@@H](Cc2cccc(-c3cccs3)c2)C1=O 257285308 PGNXPJKZJBKLOK-NRFANRHFSA-N 436.581 3.763 0 40 IHAB O=C(CNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1)Nc1ccccc1C(F)(F)F 408554441 RZRUJKOZGYIRJT-UHFFFAOYSA-N 434.201 3.706 0 40 IHAB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl 408596099 REFBGWABGRSCPV-INIZCTEOSA-N 429.369 3.798 0 40 IHAB CCCCNC(=O)CSc1nc2ccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2s1 408978958 BDEBFTXXWHVXNB-GJZGRUSLSA-N 431.583 3.984 0 40 IHAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(OC(C)C)c(Cl)c2)C1=O 409240350 GTGWPWYJHXWPSG-GZTJUZNOSA-N 443.887 3.667 0 40 IHAB COC(=O)c1cc(NC(=O)[C@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)ccc1Cl 409410559 NZXFXAHKXDEVOU-AWEZNQCLSA-N 438.933 3.537 0 40 IHAB O=C(CCN1CCCCC1)Nc1ccc(NC(=O)c2cccc(Cn3ccnc3)c2)cc1 505814884 YGCOMVMBWGWRSH-UHFFFAOYSA-N 431.540 3.998 0 40 IHAB CC1CCN(CC(=O)N2CCC3(CCCCCOc4ccccc4C(=O)NC3)CC2)CC1 643557980 CZFUAIIDSHWGHG-UHFFFAOYSA-N 441.616 3.710 0 40 IHAB Cn1nc(-c2ccco2)cc1NC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 1256712520 LOZUVUUXUGKROI-IBGZPJMESA-N 435.311 3.999 0 40 IHAB CC1(C)[C@H](c2cc(F)c(F)c(F)c2)CCN1C(=O)c1ccc(C(=O)N2CCOCC2)cc1 1538265707 UAJKIVPBZNGZKB-SFHVURJKSA-N 446.469 3.985 0 40 IHAB C[C@@H]1CC(C)(C)N(C(=O)Cn2cnc3c(cnn3-c3ccccc3)c2=O)c2ccccc21 1330647 YOSUTVANWBOEAQ-QGZVFWFLSA-N 427.508 3.901 0 40 IHAB COc1ccc(-n2c(SCC(=O)NCCc3ccccc3)nnc2-c2cccnc2)cc1 1362401 QQFNBYRTNVJSOF-UHFFFAOYSA-N 445.548 3.789 0 40 IHAB COC(=O)c1c(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)sc2c1CCC2 1904958 BWGBUFCATGWPED-UHFFFAOYSA-N 440.521 3.819 0 40 IHAB Cc1ccc(OCC(=O)NCc2cc(-c3nn(C)c(=O)c4ccccc34)ccc2C)cc1 2260318 KTWVZJIYDXGZPY-UHFFFAOYSA-N 427.504 3.913 0 40 IHAB O=C(NCSc1ccnc(SCNC(=O)c2ccccc2F)n1)c1ccccc1F 2401533 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Cc1ccc(-n2ncc3c(SCC(=O)Nc4ccc5c(c4)OCCO5)ncnc32)cc1 790164 BDTUMQAAEQYFAU-UHFFFAOYSA-N 433.493 3.626 0 40 IHAB COc1cccc(-c2csc(N3CCN(CC(=O)Nc4ccc(F)cc4)CC3)n2)c1 1349828 XDMAHVOOUSAJRJ-UHFFFAOYSA-N 426.517 3.719 0 40 IHAB COc1cc(-c2nc3s/c(=C\c4cccc5ccccc45)c(=O)n3n2)cc(OC)c1OC 2355657 HOKOZIFBBNVZAJ-MOSHPQCFSA-N 445.500 3.545 0 40 IHAB COc1ccc([C@H]2C[C@@H](c3ccc(Br)cc3)Nc3nc(N)nn32)cc1OC 2365980 YJCLNMFONCIAIZ-LSDHHAIUSA-N 430.306 3.786 0 40 IHAB CCn1nc(C)c(CN(C)C(=O)[C@@H](C)n2nc(C(F)F)c(Br)c2C)c1C 2774954 HMNOENAETNODDS-GFCCVEGCSA-N 432.313 3.944 0 40 IHAB CCOc1ncccc1C(=O)OCC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 3337947 FPTFRNJGRSLHHX-UHFFFAOYSA-N 449.463 3.537 0 40 IHAB O=C(CSc1nnc(NC(=O)c2c(F)cccc2F)s1)NCc1ccc(F)cc1 8822705 RDORAWTWYKNYKN-UHFFFAOYSA-N 438.456 3.616 0 40 IHAB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1OCC(=O)O 9295761 PGAKQZZVLDDJMI-ZDLGFXPLSA-N 431.441 3.924 0 40 IHAB CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cccnc4)[C@H]3C2=O)cc1 9465908 CGDNNSCPXPIDBQ-ZLNRFVROSA-N 429.476 3.922 0 40 IHAB COc1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(F)cc2)c(OC)c1 9517635 KMGQXQJMMDKPGD-UHFFFAOYSA-N 439.472 3.703 0 40 IHAB COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC 9540082 GLZULZOMBWCVSO-SFHVURJKSA-N 435.402 3.989 0 40 IHAB CCCCn1c(SCC(=O)Nc2ccc(OC)c(OC)c2)nc2ccccc2c1=O 9544334 SBYXREQGVOBJGC-UHFFFAOYSA-N 427.526 3.945 0 40 IHAB COc1ccc(CCC(=O)NCCc2csc3nc(-c4ccc(OC)cc4)nn23)cc1 9568951 KOLSTHFQQLCXKA-UHFFFAOYSA-N 436.537 3.767 0 40 IHAB CCCCC1CCC(C(=O)Nc2nnc(SCC(=O)NC[C@H]3CCCO3)s2)CC1 9600098 CEWFYALYCPDSHE-UYSNPLJNSA-N 440.635 3.861 0 40 IHAB O=C(Nc1ccccc1N1CCCC1=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 9724031 ZUKCHWWPJBQDBC-UHFFFAOYSA-N 449.532 3.544 0 40 IHAB COc1cn(CC(=O)Nc2ccc(Cl)cc2)c(CSc2nccc(C)n2)cc1=O 10254973 ATWXZMDXMJPXSW-UHFFFAOYSA-N 430.917 3.540 0 40 IHAB C[C@H](C(=O)NCCSCc1ccccc1F)N(c1ccc(Cl)cc1)S(C)(=O)=O 10281458 MSLUKYFTFPNZOL-CQSZACIVSA-N 444.981 3.683 0 40 IHAB Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)NCc1coc(-c2cccs2)n1 10873324 SREIEUKILNVPKC-UHFFFAOYSA-N 433.555 3.718 0 40 IHAB COc1cc([C@@H]2C(C(N)=O)=C(C)N=C3N=NNN32)ccc1OCc1ccc(C(C)(C)C)cc1 11990351 UJBKWKSNHFBNFC-OAQYLSRUSA-N 448.527 3.929 0 40 IHAB COc1ccc(CNC(=O)C2(C[C@@H]3CC(c4ccc(F)cc4)=NO3)CCOCC2)cc1 12156603 BLVBFYGNQYTKJN-NRFANRHFSA-N 426.488 3.831 0 40 IHAB CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)[C@@H](C)NC(=O)OCc1ccccc1 12776819 JDHGEFXHMATZRL-MRXNPFEDSA-N 431.920 3.750 0 40 IHAB Cc1cc(NC(=O)CN(C)CC(=O)Nc2ccccc2Cl)n(-c2ccccc2C)n1 12819468 CQOUADWPVAKNMA-UHFFFAOYSA-N 425.920 3.652 0 40 IHAB CSc1nc(C)c(CCC(=O)Nc2ccccc2I)c(C)n1 12986015 SNLASKGDQHGVTP-UHFFFAOYSA-N 427.311 3.991 0 40 IHAB O=C1Cc2cc(C(=O)CSc3nnc(-c4ccncc4)n3Cc3ccccc3)ccc2N1 13118019 HKSNYNYLXOYCOZ-UHFFFAOYSA-N 441.516 3.858 0 40 IHAB COc1ccc(CC[C@@]2(C)NC(=O)N([C@H](C)C(=O)Nc3ccc(Cl)cc3)C2=O)cc1 13164963 CKDLHFROIRVICL-JLCFBVMHSA-N 429.904 3.619 0 40 IHAB Cc1oc2c3c(ccc2c(=O)c1-c1ccc(Cl)cc1)OCN([C@@H]1CCS(=O)(=O)C1)C3 13692680 DOGGGXRDGGCNEM-MRXNPFEDSA-N 445.924 3.761 0 40 IHAB biogenic CC[C@H](C(=O)NCCSCc1ccccc1)N(c1cccc(Cl)c1)S(C)(=O)=O 13712141 CSBNFLYZMUOBEB-LJQANCHMSA-N 441.018 3.934 0 40 IHAB Cc1nc(-c2ccccc2)sc1C(=O)NCCNC(=O)c1ccc(NC(=O)C2CC2)cc1 13854814 HKKVWEVBGXFMHE-UHFFFAOYSA-N 448.548 3.627 0 40 IHAB COc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@H](O)c3ccc(Br)cc3)CC1)O2 13998252 NZSQSJHSOGLQLC-UXHICEINSA-N 448.357 3.842 0 40 IHAB C[C@H](C(=O)N[C@@H]1CCCc2ccccc21)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 14093486 XAJNNGRZRDJOQX-OXQOHEQNSA-N 432.490 3.805 0 40 IHAB Cn1ccnc1[C@@H](NC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 14403425 RUFBJGZMMQGGDK-SFHVURJKSA-N 435.286 3.502 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 15499455 JQONYBAUHQYFSQ-UHFFFAOYSA-N 444.553 3.609 0 40 IHAB O=C(c1ccc(N2CCCC2=O)cc1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 15767576 RLEWXLMLUADAJI-UHFFFAOYSA-N 431.458 3.790 0 40 IHAB CN1C(=O)[C@](O)(CC(=O)c2cccc(Br)c2)c2cc(Br)ccc21 17083435 KUDQLXJUAJBHFS-KRWDZBQOSA-N 439.103 3.649 0 40 IHAB CC(C)c1nccn1CC(=O)N1CCC[C@@H](c2nc(N(C)C)ncc2-c2ccccc2)C1 19694255 KNHAFAXEGOOBEL-HXUWFJFHSA-N 432.572 3.936 0 40 IHAB COc1ccc(-c2nc3nc4c(cn3n2)C(=O)C[C@H](c2ccc(OC)c(OC)c2)C4)cc1 19816525 DPKGWFDVBZAVFD-MRXNPFEDSA-N 430.464 3.730 0 40 IHAB CCN1c2cc(OC)c(OC)cc2C(C)=C(C(=O)Nc2ccc(C)c(C)c2)S1(=O)=O 20064031 CGAQYDJUNMYRMT-UHFFFAOYSA-N 430.526 3.860 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@@H](CC(C)C)c1ccccc1 20461861 RBXKMPWALHKVFV-QFIPXVFZSA-N 430.570 3.533 0 40 IHAB CS(=O)(=O)N(CC(=O)NCc1ccc(F)cc1)c1ccc(Cl)c(C(F)(F)F)c1 20492796 OACHAOSVZNFZOE-UHFFFAOYSA-N 438.830 3.580 0 40 IHAB CN1CCN(CCOc2ccc3c(=O)c(-c4ccc(Br)cc4)coc3c2)CC1 20591263 QJBGRDGDAWBYNC-UHFFFAOYSA-N 443.341 3.849 0 40 IHAB biogenic Cc1ccccc1N(CC(=O)Nc1nnc(SCc2ccccc2)s1)S(C)(=O)=O 21954204 FVZZNGZGQVJOLY-UHFFFAOYSA-N 448.595 3.544 0 40 IHAB CCc1ccc(N(CC(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)S(C)(=O)=O)cc1 22361763 VWRBIUGWMILCQH-FQEVSTJZSA-N 430.570 3.742 0 40 IHAB C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1CCN(CCOc2ccccc2)CC1 22919192 OIBIZCRKBUIAAR-QFIPXVFZSA-N 436.600 3.701 0 40 IHAB O=C(c1ccc(N2CCCCC2=O)cc1)N1CCN(Cc2nc3ccccc3s2)CC1 23907607 YKJMNSJXDALOPR-UHFFFAOYSA-N 434.565 3.771 0 40 IHAB O=C(Cc1csc(-c2ccco2)n1)Nc1c(C(=O)N2CCOCC2)oc2ccccc12 25361522 MQMNPMLEQHCVCG-UHFFFAOYSA-N 437.477 3.803 0 40 IHAB CC(C)c1cccc(N2C[C@H](C(=O)N3CCC(C(=O)NCc4ccccc4)CC3)CC2=O)c1 25761770 OJJFHNJFULNWHA-HSZRJFAPSA-N 447.579 3.718 0 40 IHAB CCCCCOc1ccccc1/C=c1\sc2nc([C@@H]3COc4ccccc4O3)nn2c1=O 26896345 YIHDOGDQAFDBOB-RUAJRXAUSA-N 449.532 3.780 0 40 IHAB CCc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN2CCOCC2)cc1 32622074 JHBFIOMQPZAYNK-QHCPKHFHSA-N 432.520 3.623 0 40 IHAB CCc1cc2c(COC(=O)CCc3c(C)nc(SC)nc3C)cc(=O)oc2cc1O 32743308 OJGPYRJPEQCWRZ-UHFFFAOYSA-N 428.510 3.866 0 40 IHAB COc1ccc(-c2nc(Cn3nnc(C(=O)Nc4ccc(C)cc4C)c3N)c(C)o2)cc1 33291849 VOIALYQFCUUSJU-UHFFFAOYSA-N 432.484 3.750 0 40 IHAB O=C(COc1ccccc1)NCCN1C(=O)S/C(=C/c2ccc(OC(F)F)cc2)C1=O 33469836 WTTGMLFWUHVVER-SFQUDFHCSA-N 448.447 3.520 0 40 IHAB CC(C)C(=O)Nc1ccc2[nH]cc([C@H](C(=O)O)N3CCN(Cc4ccccc4)CC3)c2c1 36354317 BHMQGRUGVXIJQN-HSZRJFAPSA-N 434.540 3.706 0 40 IHAB COC(=O)c1ccc(N2CCCC2)c(NC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)c1 40104470 UBZGCFCVULCKGD-NRFANRHFSA-N 427.476 3.818 0 40 IHAB CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)N[C@@H]1CCCc3ccccc31)O2 44933091 PYOXXQUACPBWOO-DENIHFKCSA-N 442.581 3.705 0 40 IHAB Cc1c(C(=O)N2CCN(c3ccccc3Cl)CC2)nnn1-c1nc2c(s1)CCCC2 56933839 QIXZRGIQUSWRTE-UHFFFAOYSA-N 442.976 3.527 0 40 IHAB O=C(Nc1cccc(Cl)c1Cl)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 57358831 ISPKHUHFMBIFTA-UHFFFAOYSA-N 449.743 3.920 0 40 IHAB CCN(CC)C(=O)c1cccc(NC(=O)CN(CCCO)[C@H]2CCCc3ccccc32)c1 72308764 LAHSKUYYSZVPHW-DEOSSOPVSA-N 437.584 3.869 0 40 IHAB CCN(CC)S(=O)(=O)N1CCC[C@H](c2cc(Nc3cccc(OC)c3)cc(C)n2)C1 72352074 WGZTYWWRYSPXMZ-SFHVURJKSA-N 432.590 3.908 0 40 IHAB CCCn1cc(S(=O)(=O)N2CCC[C@@H]2c2ccc(Nc3ccc(F)cn3)cn2)c(C)n1 72353216 DUGGNRVBYSDQSZ-LJQANCHMSA-N 444.536 3.800 0 40 IHAB COc1ccc(OC)c(-c2cc(C(=O)NC[C@H](O)c3ccc(C(F)(F)F)cc3)n(C)n2)c1 77200977 BXCQXCNBNGVYQY-IBGZPJMESA-N 449.429 3.587 0 40 IHAB COCCOC(=O)Nc1cccc(NC(=O)N(CCN(C)C)Cc2ccc(F)cc2)c1 78699027 ITWBRVDPDCJCAU-UHFFFAOYSA-N 432.496 3.616 0 40 IHAB CC[C@H]1CN(Cc2ccccc2)[C@H](CC)CN1C(=O)C1CCN(C(=O)N2CCCC2)CC1 78869838 KVLQSJKAYDQHFE-RPWUZVMVSA-N 440.632 3.816 0 40 IHAB Cc1nc(C(F)(F)F)ccc1C(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 84028716 HKOCPDMHMMZHEY-UHFFFAOYSA-N 426.826 3.948 0 40 IHAB O=C(COc1cc(Cl)ccc1Cl)N(c1ccc(F)cc1)[C@H]1C=CS(=O)(=O)C1 84404966 QWVYJZWSKOTQMH-HNNXBMFYSA-N 430.284 3.855 0 40 IHAB CC(=O)N1CCc2nc3cc([C@@H]4CCCCN4Cc4ccc(Cl)cc4)nn3c(O)c2C1 100242910 MQPLERUAJKMUAY-NRFANRHFSA-N 439.947 3.720 0 40 IHAB COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OC 101075344 VARQVJBNNLKMKN-ZRBLBEILSA-N 448.450 3.894 0 40 IHAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1 216303480 DRNIHWXHHLOOSZ-QGZVFWFLSA-N 440.525 3.609 0 40 IHAB CC[C@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl)c1ccc(OC)c(OC)c1 219287004 NOJKQYKYNOZVBG-INIZCTEOSA-N 426.922 3.610 0 40 IHAB COc1cccc(CCCNC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)c1 219631991 OVCLMPUSBRQBMD-UHFFFAOYSA-N 438.977 3.644 0 40 IHAB C[C@H](C(=O)NCCSC(C)(C)C)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 220194930 LMUDWFOANBFQMX-GFCCVEGCSA-N 426.526 3.508 0 40 IHAB CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2nnc(SCc3ccccc3)s2)cc1 224890002 XMHKDGBUZTZQLT-UHFFFAOYSA-N 448.595 3.869 0 40 IHAB O=S(=O)(N[C@@H](CCN1[C@H]2CC[C@H]1CC(Oc1nccs1)C2)c1ccccc1)C1CC1 252501310 UDSVTWUQTYEESQ-WFXMLNOXSA-N 447.626 3.731 0 40 IHAB CNc1cc(C2CCN(C(=O)[C@H]3CC[C@H](OC)CC3)CC2)nc(-c2cnc(C)s2)n1 257201399 AHNXGPGBASSWNL-QAQDUYKDSA-N 429.590 3.861 0 40 IHAB Cc1nc2ccc(NC(=O)CN3[C@H]4CCCC(=O)N[C@@]4(C)C[C@H]3Cc3ccccc3)cc2[nH]1 257240682 HUQPJFXQEQHFGA-SEIBCYHCSA-N 445.567 3.554 0 40 IHAB Cc1nc([C@@H]2CCCN(C(=O)CCc3ccccc3)C2)nc(C)c1CC(=O)N1CCCC1 257269863 MRRSUEXABCKFET-JOCHJYFZSA-N 434.584 3.597 0 40 IHAB c1cncc(CN2CCC3(CC2)Oc2ccccc2-c2c3cnn2CCN2CCCC2)c1 306132798 LSIOUFKOGZZFIT-UHFFFAOYSA-N 429.568 3.925 0 40 IHAB Cc1ccc(CC(=O)N2CCN(C)[C@H](c3ncn4cc(-c5cccnc5)ccc34)C2)cc1 306142798 XKGWFJUJTABJGL-DEOSSOPVSA-N 425.536 3.763 0 40 IHAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)OCC(=O)Nc2c(C)cccc2C)CC1=O 408646553 PXRWJODUUYEDDM-HNNXBMFYSA-N 430.888 3.500 0 40 IHAB Cc1ccc(CN2C[C@@H](C(=O)OCC(=O)Nc3cc(Cl)cc(Cl)c3)CC2=O)cc1 409128545 PKSCZKXJXSEZSF-HNNXBMFYSA-N 435.307 3.832 0 40 IHAB CCc1ccc(OCc2nnc(SCC(=O)Nc3cccc(C(=O)O)c3)n2CC)cc1 409352651 YEQVYDXRPJTHSP-UHFFFAOYSA-N 440.525 3.868 0 40 IHAB CC1CC(C(=O)N2C[C@H](c3ccnn3C(C)C)[C@@]3(CCCN(Cc4cccnc4)C3=O)C2)C1 585106455 KSVGFOMUUMQEPL-SYPWUMLFSA-N 449.599 3.640 0 40 IHAB CC(C)(NC(=O)c1ccc(F)cc1)C(=O)N1CCOC[C@@H](Cc2ccc3ccncc3c2)C1 585262059 FSTKUZOMFNUHDI-IBGZPJMESA-N 449.526 3.600 0 40 IHAB CC(C)(NC(=O)c1ccc(F)cc1)C(=O)N1CCOC[C@H](Cc2ccc3cnccc3c2)C1 585262083 QJBXVJNMJASYGV-LJQANCHMSA-N 449.526 3.600 0 40 IHAB CC[C@@]1(C)Cc2c(sc3nnn(CC(=O)Nc4cccc5ccccc45)c(=O)c23)CO1 658402 SKWSDKAJOKAIFF-QHCPKHFHSA-N 434.521 3.886 0 40 IHAB O=C(Nc1ccc(C(F)(F)F)cc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 663838 SPYWUJLKQIZCCU-UHFFFAOYSA-N 430.423 3.884 0 40 IHAB Cc1cccc(C(=O)N(Cc2ccc3c(c2)OCO3)Cc2nc3ccccc3c(=O)[nH]2)c1 1359017 DXKZMMSEMNQQQF-UHFFFAOYSA-N 427.460 3.803 0 40 IHAB Cc1ccc(NC(=O)COC(=O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)cc1Cl 1917040 DUVLZNCYLOFADO-LJQANCHMSA-N 442.899 3.841 0 40 IHAB Cc1cc(O[C@H](C)C(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)ccc1Cl 2423090 MSFNKZKSAFAYQP-HUUCEWRRSA-N 427.975 3.693 0 40 IHAB Cc1ccc(C(=O)N[C@H](NC(=S)NNc2ccccc2)C(Cl)(Cl)Cl)cc1 2665605 JQGOHPCXXBSIEX-OAHLLOKOSA-N 431.776 3.912 0 40 IHAB O=S(=O)(c1ccc(Br)cc1)N1CCN=C1SCc1ccc(F)cc1 2711438 OMFDMZZZYVUDHA-UHFFFAOYSA-N 429.336 3.882 0 40 IHAB CCOc1c(Cl)cc(/C=C2\NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1OC 3659352 HXLXRGMAXXZHEJ-YVLHZVERSA-N 443.887 3.587 0 40 IHAB CC[C@H](C)[C@@H]1N=C2c3ccccc3N=C(SCC(=O)N3C[C@@H](C)C[C@@H](C)C3)N2C1=O 4598738 HSJZPQWHEUGUNT-QOIOWGMHSA-N 426.586 3.929 0 40 IHAB O=C(CCS(=O)(=O)c1ccccc1)N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1 8825057 ZOMVFYYVMDUTPS-JOCHJYFZSA-N 433.533 3.827 0 40 IHAB Cc1ccc(SCC(=O)OCC(=O)N(C)CC(=O)Nc2ccccc2Cl)cc1C 9213711 NAVWRZRSRGMBOL-UHFFFAOYSA-N 434.945 3.689 0 40 IHAB C[C@H]1CN(C(=O)CCc2nc3cc(Cl)ccc3n(Cc3ccccc3)c2=O)C[C@H](C)O1 9244498 KGIMSBGGEBVAFJ-IRXDYDNUSA-N 439.943 3.667 0 40 IHAB CCCCc1nc2sc3c(N(CCO)CCO)nc(SC)nc3c2c2c1CCC2 9307152 XFGUHZONFBKTAX-UHFFFAOYSA-N 432.615 3.584 0 40 IHAB Nn1c(SCC(=O)NCC23CC4CC(CC(C4)C2)C3)nnc1-c1ccccc1Cl 9492221 SUVKOHCQCIBMCE-UHFFFAOYSA-N 431.993 3.737 0 40 IHAB COCCN(CCOC)C(=O)Cn1c(COc2ccc3ccccc3c2)nc2ccccc21 9613439 DHRXJBXSXCWTSD-UHFFFAOYSA-N 447.535 3.890 0 40 IHAB Cc1ccc(NC(=O)CSc2nc(=O)n(CCCN(C)C)c3c2CCCC3)cc1Cl 9747840 HLCDLVPUVCLUOA-UHFFFAOYSA-N 449.020 3.766 0 40 IHAB COc1ccc([C@H]2CCCCCN2C(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)cc1 9765169 NZLJHNHBTVTAKK-HSZRJFAPSA-N 449.551 3.696 0 40 IHAB Cn1c(=O)n(Cc2ccccc2Cl)c(=O)c2c1nc1oc(-c3ccc(Cl)cc3)cn12 9789756 IYDQYLAAVXDYOM-UHFFFAOYSA-N 441.274 3.963 0 40 IHAB O=C(Cc1csc(NS(=O)(=O)c2ccc(Cl)cc2)n1)NCC1CCCCC1 9828546 HTLYBHAEXCQREV-UHFFFAOYSA-N 427.979 3.836 0 40 IHAB CCOc1ccc(CNC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)cc1 10448728 QJCMAZXKUQJXBX-UHFFFAOYSA-N 438.549 3.982 0 40 IHAB O=C(N[C@H]1CCSc2ccc(F)cc21)C1CCN(S(=O)(=O)c2cccs2)CC1 10964789 BTYXPXKNKYRBIU-INIZCTEOSA-N 440.587 3.641 0 40 IHAB COc1ccc(-c2cc3nc([C@@H](C)NC(=O)[C@@H](C)Oc4ccc(C)cc4)nn3cn2)cc1 12085126 MXSVBRTYGGSAFB-IAGOWNOFSA-N 431.496 3.753 0 40 IHAB Cc1ccc2cc([C@@H](c3nnnn3Cc3ccccc3)N3CCC[C@@H](C)C3)c(=O)[nH]c2c1 12469065 MBKRWMDBOTTZSD-JPYJTQIMSA-N 428.540 3.693 0 40 IHAB COc1ccc(C(=O)N2CCCc3cc(C4=NNC(=O)S[C@@H]4C)ccc32)cc1OC 12504047 IZLRMTJLQCLMKF-CYBMUJFWSA-N 425.510 3.846 0 40 IHAB in-vivo C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc(N3CCCCC3)c3ccncc13)C2=O 12554050 NYPPYNZVHBINSM-CRICUBBOSA-N 449.555 3.664 0 40 IHAB Cc1[nH]ncc1CCCNc1nc(CN2CCOCC2)nc2sc3c(c12)CC[C@H](C)C3 12576024 UBJQONGDVZTOAP-HNNXBMFYSA-N 440.617 3.725 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)Nc2cc(Br)ccc2N2CCN(C)CC2)c1 12584819 SIPFOGSZXSYHGC-UHFFFAOYSA-N 438.391 3.619 0 40 IHAB C[C@H](OC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccc(Cl)cc1)C(N)=O 12797044 DCICHTKZXKXSDL-AWEZNQCLSA-N 434.883 3.831 0 40 IHAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cccc(I)c1 12894712 CWPVJKQJCUYDPP-CYBMUJFWSA-N 432.265 3.705 0 40 IHAB CC(=O)c1cccc(OC[C@@H](O)Cn2cnc3cc(-c4ccc(F)cc4)sc3c2=O)c1 13009002 JFENBYSQZDOBFI-SFHVURJKSA-N 438.480 3.907 0 40 IHAB CC(C)NC(=O)CSc1ccccc1C(=O)O[C@H](C)C(=O)Nc1ccc(Cl)cn1 13038709 MLRZOHPTAXOQPF-CYBMUJFWSA-N 435.933 3.536 0 40 IHAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Oc3ccc(C(=O)c4ccccc4)cc3)C2=O)cc1 13075532 XYSGRIRWGFIGLN-AREMUKBSSA-N 442.471 3.599 0 40 IHAB Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)NC(=S)N[C@@]2(O)C(F)(F)F)cc1 13109398 CXTLQMTZCXJYPB-DAYGRLMNSA-N 428.863 3.917 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2ccco2)CC3)cc1Cl 13696628 XKPFKMRWAJBGEW-UHFFFAOYSA-N 432.885 3.945 0 40 IHAB COc1ccc(OC)c([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(=O)NC2CCCCC2)c1 13778288 KPUTUTOASGKPLY-NQHRYMMQSA-N 430.589 3.821 0 40 IHAB CCn1c(CC(=O)Nc2ccc(C)c(C)c2)nnc1SCC(=O)N[C@H]1CCCC[C@@H]1C 13955959 SCHPEJGRAJOTRP-LPHOPBHVSA-N 443.617 3.883 0 40 IHAB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCCC3=O)c2)cc1 14246345 NMYSPYVPIVWINO-UHFFFAOYSA-N 449.532 3.891 0 40 IHAB CCOC(=O)c1c(NC(=O)c2c(F)c(F)c(OC)c(F)c2F)sc(C(=O)OC)c1C 14273235 AWULPZYSWUUHBP-UHFFFAOYSA-N 449.378 3.837 0 40 IHAB Cc1cc(S(=O)(=O)NCCc2csc3nc(-c4cccc(F)c4)nn23)ccc1F 15784009 RQFSFVZNZOJIGK-UHFFFAOYSA-N 434.493 3.565 0 40 IHAB Cc1cc(Cl)c2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc(C)c3C)C(=O)[C@H]2[C@@H]2CCCN21 16010358 DATLZRAUYJOGKE-AJGMTHFWSA-N 449.938 3.696 0 40 IHAB COc1cccc(CN(C(=O)c2oc3ccc(C)cc3c2C)[C@H]2CCS(=O)(=O)C2)c1 16752801 CAVLHPSFSORXFL-SFHVURJKSA-N 427.522 3.888 0 40 IHAB CC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccc(OC)cc1 18131614 UBMBYNPAPVUULZ-OAQYLSRUSA-N 434.533 3.503 0 40 IHAB CCNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CN(C(=O)C2CCCCC2)CCO1 19529234 JPNCIRUNERFJKM-AREMUKBSSA-N 435.568 3.605 0 40 IHAB COc1ccccc1CC(=O)N1CCC[C@@](Cc2ccc(-c3cccnc3)cc2)(C(N)=O)C1 19569526 YUELNUVVEHLMTG-MHZLTWQESA-N 443.547 3.637 0 40 IHAB CCN1CCC(CC(=O)N2CCC(c3ccc(C(=O)NC4CCCC4)cn3)CC2)CC1 19708379 ZNZOZZXZZMOLCT-UHFFFAOYSA-N 426.605 3.582 0 40 IHAB CNc1nc([C@H]2CCCN2)nc2c1CN(CC(=O)Nc1ccccc1-c1ccccc1)CC2 19710811 RPXDDHKRAXAGDV-HSZRJFAPSA-N 442.567 3.607 0 40 IHAB CCn1cc(CN2CC[C@@H](c3nc(C)c4c(n3)N(Cc3cccc(F)c3)C(=O)CC4)C2)cn1 19738831 JGNYSBUAPJAZRS-HXUWFJFHSA-N 448.546 3.609 0 40 IHAB Cc1ccc([C@H]2CCCN2C(=O)c2cccn(CC(=O)NCc3ccccc3)c2=O)cc1C 19750030 BJLKXOVOFMIERT-XMMPIXPASA-N 443.547 3.759 0 40 IHAB CC(=O)c1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3cccc(Cl)c3)C2)c1 19860404 JJCGGVIYNIKALT-GOSISDBHSA-N 434.945 3.723 0 40 IHAB COc1ccc([C@H](C)NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1 20010099 WYJAIOGDCCEMLV-IBGZPJMESA-N 438.549 3.764 0 40 IHAB C[C@@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1)c1ccc(F)cc1 20104969 UVTHYKICQSJOHZ-OAHLLOKOSA-N 438.952 3.898 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1Cl 20106329 BDYZFDQXNZLSGZ-AWEZNQCLSA-N 438.933 3.618 0 40 IHAB O=C(NCc1ccc(Cl)cc1)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 20106931 GMKFLUXUEKGAJS-HXUWFJFHSA-N 434.989 3.631 0 40 IHAB Cc1c(CCC(=O)NCCN2CCOCC2)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 20548871 QYWOXBUTLFTTGD-UHFFFAOYSA-N 440.540 3.526 0 40 IHAB Cc1ccc2nc(C)cc(C(=O)O[C@@H](C)C(=O)Nc3ccc(N4CCOCC4)cc3)c2c1 21128851 IBLUCZIXYIVSHE-SFHVURJKSA-N 433.508 3.872 0 40 IHAB CC(=O)N(c1cccc(C)c1)c1nc(COC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)cs1 21714975 LOHGEQRJQUCSJF-KRWDZBQOSA-N 441.553 3.970 0 40 IHAB COC(=O)c1c(-c2cccs2)csc1NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O 21785478 FHEXZFRRSBUYSE-NSHDSACASA-N 440.502 3.886 0 40 IHAB COc1ccc(C[C@H](NC(=O)c2ccc(N3CCOCC3)nc2)c2ccc(OC)cc2)cc1 22099256 OONRMBZHZQNVCD-DEOSSOPVSA-N 447.535 3.649 0 40 IHAB COc1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)cc1OC 22534888 WKUBOUZPNUMHBG-UHFFFAOYSA-N 446.569 3.507 0 40 IHAB CSc1cccc(NC(=O)C(=O)NC[C@H](c2cccc3ccccc23)N2CCOCC2)c1 23107613 OPJHZSHJZGUPQN-HSZRJFAPSA-N 449.576 3.690 0 40 IHAB O=C(c1cc(C2CC2)nn1-c1ccccc1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 24014475 OIUCXDXIKRZJEL-UHFFFAOYSA-N 428.536 3.643 0 40 IHAB O=C(COc1ccc(Br)cc1Cl)NCc1nc(-c2cccs2)no1 24577157 DMHGOZBJTCNPKQ-UHFFFAOYSA-N 428.695 3.909 0 40 IHAB COc1ccccc1Nc1nc(N)nc(CSc2nnc(C)n2-c2cccc(C)c2)n1 27432813 JFUUKUDVGAYHMK-UHFFFAOYSA-N 434.529 3.696 0 40 IHAB O=C(COc1ccc(N2CCCC2=O)cc1)Nc1nc(-c2ccc3c(c2)CCO3)cs1 28686090 DFXCBPHOJBGDEB-UHFFFAOYSA-N 435.505 3.889 0 40 IHAB O=C(NCc1cnn(-c2ccccc2)c1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 32612168 BHJNDLDULMVCGZ-UHFFFAOYSA-N 443.956 3.929 0 40 IHAB O=C(CSc1nc(COc2ccc(Cl)cc2)n[nH]1)N[C@@H]1CCOc2ccccc21 32745257 KRSWSFFNUAGZAW-MRXNPFEDSA-N 430.917 3.769 0 40 IHAB O=S(=O)(c1ccc(OCCOc2ccccc2-c2ccccc2)cc1)N1CCOCC1 32855705 LTMMJXMSSYENLK-UHFFFAOYSA-N 439.533 3.832 0 40 IHAB Cc1cc(C)c(CNC(=O)Cc2c(C)nn(-c3cccc(C(F)(F)F)c3)c2C)c(=O)[nH]1 32928359 AMKQNMREUOAVHT-UHFFFAOYSA-N 432.446 3.672 0 40 IHAB O=C(NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cc(F)ccc1F 40087043 ZXDGAKHJFNMAJJ-UHFFFAOYSA-N 427.417 3.926 0 40 IHAB CN(c1ccccc1C(=O)NCc1ccccc1-n1ccnc1)S(=O)(=O)c1ccccc1 44904922 XLBSXUUXPPDIMV-UHFFFAOYSA-N 446.532 3.627 0 40 IHAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1cc(-c2ccco2)nc2onc(C)c12 48275963 VBABWVKJLOYHHQ-UHFFFAOYSA-N 436.443 3.709 0 40 IHAB Cc1nc(C)c(-c2ccc(=O)n(CCNC(=O)NCc3cccc4ccccc34)n2)s1 49030833 GKHPHJHATGDNAU-UHFFFAOYSA-N 433.537 3.636 0 40 IHAB COC(=O)c1ccc(NC(=O)CCSc2nc(=O)c3c4c(sc3[nH]2)CCCC4)cc1 54363725 CVENRHGOHKNVHC-UHFFFAOYSA-N 443.550 3.771 0 40 IHAB CC(=O)c1cccc(NC(=O)Cn2c(=O)n(-c3cc(C)ccc3C)c(=O)c3sccc32)c1 57492663 VTJBXOWBFJWQRM-UHFFFAOYSA-N 447.516 3.672 0 40 IHAB CCN(Cc1cccc(NC(=O)[C@H](OC[C@H]2CCCO2)C(C)C)c1)C(=O)C(F)(F)F 58045088 JTCDXFQXWUIHQN-QZTJIDSGSA-N 430.467 3.756 0 40 IHAB CCc1ccccc1Nc1nc(N)nc(CN2CCC[C@H]2c2ccc3c(c2)OCCO3)n1 58138680 OPGVYVHRQUJLAS-IBGZPJMESA-N 432.528 3.868 0 40 IHAB CN1CCCN(c2ccc(CNC(=O)Nc3cccc(OCc4cccnc4)c3)cn2)CC1 58210968 OBKGIFKNMKJWFD-UHFFFAOYSA-N 446.555 3.519 0 40 IHAB O=C(Nc1ccc(Oc2cccc(Br)c2)nc1)c1ccc(-n2cnnn2)cc1 58246193 QIJYGYOHCHTYGS-UHFFFAOYSA-N 437.257 3.864 0 40 IHAB COc1ccc([C@H](C)NC(=O)Cn2c(=O)cc(-c3nc(C4CC4)no3)c3ccccc32)cc1 67317989 ICVAAEXKUTWWCO-HNNXBMFYSA-N 444.491 3.815 0 40 IHAB O=C(Nc1ccccc1)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccccc2)cc1 67896448 ZMXIQNMXSVBHGS-ISKFKSNPSA-N 431.492 3.792 0 40 IHAB biogenic,in-vitro O=C(c1cc(-c2ccccc2)c(N2CCOCC2)s1)N1CCCC[C@H]1C1OCCO1 69200563 HKBUBEMNXGAVOS-IBGZPJMESA-N 428.554 3.619 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)Cn1nnc(C(=O)Nc2c(C)cc(C)cc2C)c1C 71327057 KRQCYDJBICVDAF-UHFFFAOYSA-N 449.511 3.579 0 40 IHAB O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CCO2 84490114 YNZWLLYOPGWACX-QGZVFWFLSA-N 441.336 3.720 0 40 IHAB COc1ccc(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cc(Cl)c(N)c(Cl)c2)cc1 89438689 DAJHQKSFRJHAGK-INIZCTEOSA-N 429.325 3.620 0 40 IHAB O=Cc1cc(Br)cc(Br)c1OC(=O)c1ccc2c(c1)OCO2 95117320 JLOFBRFQKBLAJN-UHFFFAOYSA-N 428.032 3.972 0 40 IHAB C[C@H](OC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1)C(=O)c1ccccc1 100749693 HLKNOIIRDSUWSK-PSUJQESLSA-N 441.483 3.672 0 40 IHAB CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H]1C(=O)O 138644556 PNFSGKNIZOXLKU-FCHUYYIVSA-N 436.508 3.625 0 40 IHAB O=C(CN1c2ccccc2-c2ccccc2S1(=O)=O)Nc1ccc(N2CCCC2=O)cc1 219157381 XGYGEMZSWXDHFJ-UHFFFAOYSA-N 447.516 3.628 0 40 IHAB COc1cc(CNC(=O)CCCN(c2cccc(C)c2)S(C)(=O)=O)ccc1OC(C)C 219618492 ABNUYUHSPCARBV-UHFFFAOYSA-N 448.585 3.653 0 40 IHAB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cc(C(=O)O)cc(C(=O)O)c2)o1 222804859 MZQVNWFOLYDKKX-RTBURBONSA-N 437.477 3.730 0 40 IHAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(CCCN2CCOCC2)c1C 222868892 HJJGRDBMQZTQLF-XZOQPEGZSA-N 441.645 3.605 0 40 IHAB CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc2c(c1)OCO2 223838963 LNXYMBAJPXHISR-INIZCTEOSA-N 430.932 3.945 0 40 IHAB COc1cccc(OC)c1CNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1 224088035 XUTSYBIMZWUMGV-UHFFFAOYSA-N 440.521 3.743 0 40 IHAB Cc1cc(C)cc(OCCNC(=O)[C@@H](C)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)c1 224100197 LETWFLPYMVLUPR-QGZVFWFLSA-N 438.977 3.615 0 40 IHAB CCC1(CC)C[C@H](NC(=O)CN(C)S(=O)(=O)c2ccc(OC)cc2)c2ccccc2O1 225016614 MICGJWHKSMMPHZ-FQEVSTJZSA-N 446.569 3.515 0 40 IHAB Cc1nc2c(c(N3CCC(NC(=O)c4cc(Br)cs4)CC3)n1)CCCC2 225739098 ZXFFBXGYISILTK-UHFFFAOYSA-N 435.391 3.887 0 40 IHAB O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1cccs1)N2)N1CCN2CCC[C@H]2C1 239425928 VLXJAOYICCCTEV-ZENOOKHLSA-N 425.480 3.525 0 40 IHAB NC(=O)c1cc([C@H]2CC[C@H](CNC(=O)COc3ccccc3F)CC2)nc2ccccc12 257209694 BRNBMXTVYQNABJ-QAQDUYKDSA-N 435.499 3.942 0 40 IHAB CNC(=O)c1sc2ncccc2c1[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 257215240 CPFYNTQOWUAKEL-WKILWMFISA-N 443.594 3.908 0 40 IHAB COc1ccccc1Cc1cnc([C@@H]2CCCCN2C(=O)CN2CCCCCC2=O)o1 257257451 KPPIERZNBWOAEG-FQEVSTJZSA-N 425.529 3.730 0 40 IHAB CCN(CC)S(=O)(=O)N1CCO[C@@H](c2cc(Cc3ccccc3Cl)cc(C)n2)C1 257263689 LRAVJFMCWNJJEN-OAQYLSRUSA-N 437.993 3.594 0 40 IHAB O=C(c1ccccc1I)N1CCC(N2CCc3ccccc3C2)CC1 408612454 WCWGZMKJSUZPCQ-UHFFFAOYSA-N 446.332 3.954 0 40 IHAB COc1cccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCCC2CCCCC2)c1 408710378 ZQGQQUUBOFJUQD-UHFFFAOYSA-N 437.540 3.650 0 40 IHAB CCOc1cc(/C=C2\S[C](Nc3cc(C)ccc3OC)NC2=O)ccc1OCC(=O)O 408798846 GBRVSYWTHIABCR-UHFFFAOYSA-N 443.501 3.629 0 40 IHAB CC(C)(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2Br)cc1 409190681 PRDMWJYKCDNEGK-UHFFFAOYSA-N 441.347 3.543 0 40 IHAB CCS(=O)(=O)N1CCC(NC(=O)N[C@@H](C)c2ccccc2Oc2ccccc2)CC1 510357178 WNHLJJVOVQFWRF-KRWDZBQOSA-N 431.558 3.653 0 40 IHAB Cc1nn(CCNS(=O)(=O)c2ccccc2Br)c(C)c1-c1cccs1 575612501 FYUZNJWXQYQLQN-UHFFFAOYSA-N 440.388 3.969 0 40 IHAB Cc1cc(Nc2ncc(C)s2)nc(C2CCN(C(=O)[C@H]3CCCC[C@H]3C(=O)O)CC2)n1 585263614 VBKJUWHXGROITP-DLBZAZTESA-N 443.573 3.891 0 40 IHAB CCOC(=O)C1=C2C[C@H](c3ccc(F)cc3)N(C(=O)OC(C)(C)C)CCN2C(=O)CC1 585284702 GWPZLZFYCIATBV-GOSISDBHSA-N 432.492 3.947 0 40 IHAB C[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)NCc1ccc(CC(N)=O)cc1)OCCO3 638286958 YUQMJXQVQQXDTG-KRWDZBQOSA-N 449.551 3.584 0 40 IHAB O=C1OC2(CN(Cc3ccc(C(F)(F)F)cc3)C2)[C@@H]2CN(Cc3ccccc3)CCN12 1549162537 SCCOFDHQCGFOET-FQEVSTJZSA-N 431.458 3.596 0 40 IHAB Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)NCc4cn(C)nc4C)c3N2)cc1 647156 XUVGWVCFQXCKRE-QZTJIDSGSA-N 432.450 3.824 0 40 IHAB CCOC(=O)c1sc(NC(=O)COc2ccc(F)cc2F)c(C(=O)OCC)c1C 718680 YBCPXYLMIUHNRE-UHFFFAOYSA-N 427.425 3.706 0 40 IHAB Cc1cc2cc([C@@H](c3nnnn3CCc3ccccc3)N3CCCCC3)c(=O)[nH]c2cc1C 1362222 PAVBQTCMPZYPOW-DEOSSOPVSA-N 442.567 3.949 0 40 IHAB CC(C)(C)c1ccc(OCC(=O)NC(=S)Nc2sc3c(c2C(N)=O)CCC3)cc1 2052477 WOLWJNWPRCCOSJ-UHFFFAOYSA-N 431.583 3.525 0 40 IHAB COc1cc(C(=O)OCC(=O)N[C@@H]2CCCC[C@H]2C)ccc1OCc1c(C)noc1C 3418393 UUTUZYYWGDENPR-AUUYWEPGSA-N 430.501 3.731 0 40 IHAB O=C(Nc1ccccc1)N1CCC[C@H](C(=O)N2CCN(c3ccccc3Cl)CC2)C1 7848703 UGYYVTFLJYJRSL-SFHVURJKSA-N 426.948 3.933 0 40 IHAB COc1cccc(OC)c1C(=O)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1 8832483 YXINTHVRBNOMOW-UHFFFAOYSA-N 445.519 3.919 0 40 IHAB O=c1[nH]c(CSc2nnc(CN3CCCC3)n2Cc2ccccc2)nc2ccsc12 8941996 AECHMIOWHQYQPQ-UHFFFAOYSA-N 438.582 3.513 0 40 IHAB Cn1c(C[C@@H]2CCS(=O)(=O)C2)nnc1SCC(=O)c1ccc(C2CCCCC2)cc1 9217925 JGNDKIFMDYAJTF-INIZCTEOSA-N 447.626 3.815 0 40 IHAB C[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccc(-n2cncn2)cc1 9220056 GNLYKZMKYIDJRB-QGZVFWFLSA-N 447.520 3.559 0 40 IHAB CCCCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(OC)cc4)ccn3n2)cc1 9319674 AIRBKMIWAUWLJA-UHFFFAOYSA-N 446.507 3.989 0 40 IHAB CCCNC(=O)COC(=O)c1ccccc1SCC(=O)NC12CC3CC(CC(C3)C1)C2 9350906 XIYCDLWJVMGQCJ-UHFFFAOYSA-N 444.597 3.547 0 40 IHAB CSCC[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)N(Cc1ccccc1)C(C)(C)C 9625017 GMMIAGRMABIORI-SFHVURJKSA-N 446.569 3.502 0 40 IHAB COc1ccc(-c2cc(C(=O)OCC(=O)N3C[C@H](C)O[C@@H](C)C3)c3ccccc3n2)cc1 9631319 AQSIBRHNUHZHTC-IRXDYDNUSA-N 434.492 3.703 0 40 IHAB COc1ccc(C)cc1NC(=O)C(=O)NC[C@H](c1cccs1)N1CCc2ccccc21 9708307 PWOZLMSJFOUCHV-HXUWFJFHSA-N 435.549 3.924 0 40 IHAB CCOc1ccc([C@@H]2CCCN2C(=O)c2ccc(OC)c(S(=O)(=O)NC3CC3)c2)cc1 10024072 KCLYNJXJICHQOH-FQEVSTJZSA-N 444.553 3.512 0 40 IHAB CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)c1C 10360597 ZJWHXRGEECMWFF-UHFFFAOYSA-N 437.521 3.550 0 40 IHAB COc1ccc(OC)c(NC(=O)CS[C@H](C)c2nc(N)nc(Nc3ccccc3)n2)c1 12523480 YRCMQKGXMZHZHD-CYBMUJFWSA-N 440.529 3.648 0 40 IHAB CCc1ccc(CN(Cc2cccnc2)S(=O)(=O)c2ccsc2C(=O)OC)cc1 12585629 WRROOFDSNATPDA-UHFFFAOYSA-N 430.551 3.883 0 40 IHAB COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(N2CCCC2=O)c(C)c1 12652552 OIHFCKZWISETMN-UHFFFAOYSA-N 439.331 3.694 0 40 IHAB CC(=O)c1cccc(NC(=O)[C@H](Sc2nnnn2C[C@H]2CCCO2)c2ccccc2)c1 12751145 RARQPVVAFYQHTC-WOJBJXKFSA-N 437.525 3.527 0 40 IHAB CC(=O)c1ccc(N2CCN(CC(=O)Nc3cc(C4CC4)nn3-c3ccccc3)CC2)cc1 12825320 NZWXSLBMVKUHBW-UHFFFAOYSA-N 443.551 3.713 0 40 IHAB CC[C@H](NC(=O)c1cccc(N2CCCS2(=O)=O)c1)c1ccc(Br)cc1 12885933 LGAUYXODQRYONT-SFHVURJKSA-N 437.359 3.870 0 40 IHAB CN(CC(=O)N(C)CC(=O)Nc1ccccc1Cl)Cc1ccccc1Br 12903439 ADVINYRWIVHBAX-UHFFFAOYSA-N 438.753 3.631 0 40 IHAB CC(=O)c1ccc(OC[C@H](O)Cn2cnc3scc(-c4ccc(F)cc4)c3c2=O)cc1 12912066 RINKZBKEPSQDIV-GOSISDBHSA-N 438.480 3.907 0 40 IHAB Cc1cc(N2CCN(CC(=O)N[C@H](c3ccc(F)cc3)C(C)C)CC2)nc(C(C)C)n1 13003961 ROGWEFJAEKQAIF-QHCPKHFHSA-N 427.568 3.683 0 40 IHAB COC(=O)c1cccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccnc2)c1 13025316 RAAUITHMMWFQAC-JOCHJYFZSA-N 447.491 3.908 0 40 IHAB NC(=O)C1CCN(Cn2nc(-c3ccc(Cl)cc3)n(-c3ccccc3)c2=S)CC1 13063484 UYDXFIRRNGORTC-UHFFFAOYSA-N 427.961 3.878 0 40 IHAB COCCCNC(=O)c1ccccc1NS(=O)(=O)Cc1c(Cl)cccc1Cl 13682527 IQNGGNMKOZKOOI-UHFFFAOYSA-N 431.341 3.702 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 13716165 VDIOEEIFMRRHSD-HXUWFJFHSA-N 432.542 3.663 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCSc4ccc(F)cc43)CC2)cc1 14244501 GRRIJVDGIFQKGA-FQEVSTJZSA-N 448.585 3.888 0 40 IHAB O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CCN(c2ccccc2F)CC1 15679397 VVQVNYKTEWYBSW-UHFFFAOYSA-N 429.293 3.941 0 40 IHAB COc1ccc(NC(=O)Nc2nnc(SCC(=O)NCc3ccccc3)s2)cc1 15882693 QYBBPCMSEUBCEO-UHFFFAOYSA-N 429.527 3.599 0 40 IHAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)NC(c2ccccc2)c2ccccc2)cc1 16691801 DBFJEDKCVXDVNC-UHFFFAOYSA-N 438.549 3.612 0 40 IHAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)cc1C 16692249 VYEHSMKWRSDSTI-UHFFFAOYSA-N 431.341 3.960 0 40 IHAB CC(=O)O[C@H](CN(Cc1ccco1)S(C)(=O)=O)Cn1c2ccccc2c2ccccc21 16890644 KCQOBXYSQDRGSX-LJQANCHMSA-N 440.521 3.781 0 40 IHAB O=C(NCCSCc1ccccc1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 18150060 ZHGNNRVKIBZJOE-UHFFFAOYSA-N 439.002 3.788 0 40 IHAB CCCCNS(=O)(=O)c1cccc(NC(=O)c2nn(-c3ccc(C)cc3C)nc2C)c1 18705394 JWVLPBPXVKPMDU-UHFFFAOYSA-N 441.557 3.523 0 40 IHAB Cc1ccccc1CN(Cc1cnc(N2CCOCC2)nc1)C1CC(C)(C)NC(C)(C)C1 19237146 UTNWRAILYZGQHC-UHFFFAOYSA-N 437.632 3.933 0 40 IHAB COCc1ccc(OC)c(CN2CC[C@@](Cc3cccc(-c4ccncc4)c3)(C(N)=O)C2)c1 19594330 QHKUTXKSAMAOTR-MHZLTWQESA-N 445.563 3.824 0 40 IHAB COc1ccc(CN2C(=O)Cc3c(C)nc([C@@H]4CCCN(C(=O)C5CCCC5)C4)nc32)cc1 19743836 LMIXRRMAMNSADR-HXUWFJFHSA-N 448.567 3.779 0 40 IHAB Cc1nn(C)c2nc(C3CCN(Cc4ccc(OCCN5CCCC5=O)cc4)CC3)ccc12 19744592 LLQWSRHMSMMUGH-UHFFFAOYSA-N 447.583 3.658 0 40 IHAB COc1c(Br)cc(Br)cc1C(=O)NCc1ccc(C(=O)O)cc1 20141291 HWXNUTOOYUFYSF-UHFFFAOYSA-N 443.091 3.848 0 40 IHAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)c(Cl)c1 20456065 OTDGTLRHVOWTIM-UHFFFAOYSA-N 436.917 3.753 0 40 IHAB Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1 21230183 TUSLMRVSFBBWPR-HNNXBMFYSA-N 428.539 3.705 0 40 IHAB CC1CCN(c2nnc(SCC(=O)N[C@H]3CCOc4ccccc43)n2C2CC2)CC1 21700944 YMAAADKGXXJMKG-SFHVURJKSA-N 427.574 3.581 0 40 IHAB CS(=O)(=O)N(Cc1ccccc1)c1ccc(OCC(=O)Nc2cccc(F)c2)cc1 22231072 PDBAZMQNUWKTRH-UHFFFAOYSA-N 428.485 3.809 0 40 IHAB CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2)cc1C 22268227 CRFZPLJXMWYNSK-JOCHJYFZSA-N 438.549 3.922 0 40 IHAB COc1cc(Cn2nc(-c3ccco3)c3sc(N4CCCC4)nc3c2=O)cc(OC)c1 23109024 JEIDQAOLNXUYDP-UHFFFAOYSA-N 438.509 3.779 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1CN(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 29190489 YSDNRLQVSWWPFQ-KRWDZBQOSA-N 431.540 3.685 0 40 IHAB O=C(CCc1nnc(-c2ccsc2)o1)Nc1ccccc1I 30809830 NVTONBAXUARAFP-UHFFFAOYSA-N 425.251 3.974 0 40 IHAB COc1cccc2c([C@@H](C(=O)O)N3CCN(c4cc(C)c5ccccc5n4)CC3)c[nH]c12 31807328 RMQJAUMEEWGWDS-DEOSSOPVSA-N 430.508 3.981 0 40 IHAB O=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)c1ccc(Br)s1 32374105 AAVQZEYUPGZWKN-CQSZACIVSA-N 429.767 3.967 0 40 IHAB Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)N3CCN(Cc4ccccn4)CC3)c12 32822883 PNXQAZPJCZCVMG-UHFFFAOYSA-N 431.471 3.690 0 40 IHAB C[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)o1 32837327 IUYNGZXEXHHIOJ-IERDGZPVSA-N 426.538 3.835 0 40 IHAB CCCn1c(=O)c2sccc2n2c(SCc3ccc(N4CCCC4=O)cc3)nnc12 35529167 VTUIPFHLRLTDFX-UHFFFAOYSA-N 439.566 3.935 0 40 IHAB CCOC(=O)[C@@H]1CCCN([C@@H](c2ccccc2Cl)c2sc3nc(C)nn3c2O)C1 36370382 XWJGSEFESMLQHZ-CJNGLKHVSA-N 434.949 3.823 0 40 IHAB Cc1cc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c2c(-c3ccc(F)cc3)noc2n1 36613331 CPFWKTPGNNTCJK-UHFFFAOYSA-N 434.427 3.529 0 40 IHAB O=C(CCn1nc(-c2ccc(F)cc2)ccc1=O)NCc1cccc(Br)c1 41254593 PJOQBRFBNKUYMP-UHFFFAOYSA-N 430.277 3.518 0 40 IHAB CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccccc1Cl 44225508 JYRIJEYPSJPIQC-MRXNPFEDSA-N 429.826 3.596 0 40 IHAB CCOC(=O)C1=C(C)Nc2nc(SC)[nH]c(=O)c2[C@@H]1c1ccc(Br)cc1 44973698 WSDIXOAVYPAFQU-CYBMUJFWSA-N 436.331 3.649 0 40 IHAB C[C@@H]1CN(c2ccc(NC(=O)N(C)Cc3cnn(Cc4ccccc4)c3)cn2)C[C@@H](C)O1 48252545 AOFZPKMJWZSDCW-RTBURBONSA-N 434.544 3.604 0 40 IHAB Cc1cc(Br)c(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1Cl 54363124 LWBRFNCOTXVAAI-UHFFFAOYSA-N 443.794 3.917 0 40 IHAB CCCc1cc(C(=O)N2CCN(CCC)C(=O)[C@@H]2Cc2ccc(-c3ccncc3)cc2)no1 72351853 VJOCHQSGRZKHDU-DEOSSOPVSA-N 446.551 3.995 0 40 IHAB Cc1nc2c3ccc(Br)cc3nn2c(C)c1CC(=O)NCCc1nccs1 95475125 BWUWXAGATZCFJC-UHFFFAOYSA-N 444.358 3.620 0 40 IHAB CCOC(=O)c1c(/C=C/C(=O)N2CCN(c3ccc(Cl)cn3)CC2)c(C)n(CC)c1C 95955850 JEFDQEBXPHUBHQ-CSKARUKUSA-N 444.963 3.712 0 40 IHAB COc1ccc(CC(=O)NCc2ccccc2CN2CCN(c3ccccc3)CC2)cc1 97064080 BVZBUVCVVSMDFY-UHFFFAOYSA-N 429.564 3.876 0 40 IHAB COc1ccc(C(=O)N[C@H](c2cc(O)n3nc(C4CCOCC4)cc3n2)C(C)C)s1 100730044 KRGRRIXXNDQIKU-FQEVSTJZSA-N 430.530 3.526 0 40 IHAB COc1ccccc1CCCNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 218800875 GNILBASFSCUEGF-UHFFFAOYSA-N 430.551 3.920 0 40 IHAB CC[C@@H](NC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1)c1ccc(OC)c(OC)c1 219967781 KCZWQHZPRKLHBA-HXUWFJFHSA-N 446.569 3.511 0 40 IHAB CC[C@@H](NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1)c1ccc2c(c1)CCCC2 223078215 YQIPOBWUHKQSAC-JOCHJYFZSA-N 429.586 3.689 0 40 IHAB CCC1(CC)C[C@@H](NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)c2ccccc2O1 223943058 CGWHQVMJSXAFQR-LJQANCHMSA-N 434.533 3.791 0 40 IHAB CN(C)c1nc(N2CCCC2)ncc1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 224343684 BJODXPACPFGGMB-UHFFFAOYSA-N 439.541 3.736 0 40 IHAB CCCC[C@H](CC)CNC(=O)C1=C(C)c2cc(OC)c(OC)cc2N(CC)S1(=O)=O 224582442 UWEAEYILHSSNFR-INIZCTEOSA-N 438.590 3.937 0 40 IHAB COCCNC(=O)c1cc(N)ccc1N1CCN(C(c2ccccc2)c2ccccc2)CC1 225488065 UKEWVFKKKKQIFJ-UHFFFAOYSA-N 444.579 3.557 0 40 IHAB Cc1nc2c(c(N3CCC(NC(=O)COc4cccc(C(F)(F)F)c4)CC3)n1)CCCC2 238818997 CEAQSGLLRMLTOL-UHFFFAOYSA-N 448.489 3.847 0 40 IHAB COc1cccc2c1OC(C)(C)[C@@H]1C[C@H]3[C@@H](CCN3C(=O)CCCCCNC(C)=O)O[C@@H]21 257241171 HWXJOJKKDUAUOR-AWWSKVOZSA-N 444.572 3.610 0 40 IHAB CC(=O)NCCN[C@H]1CCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CC(=O)N2Cc1ccc(F)cc1 257250820 JOCZGERXASWHCU-TWZJLLKVSA-N 437.559 3.605 0 40 IHAB COc1ccccc1Cc1cc(C(=O)N2CCC[C@@H]2c2cncc(-c3ncc[nH]3)n2)ccn1 257278292 OBQYUJMMIPSRRG-JOCHJYFZSA-N 440.507 3.838 0 40 IHAB CN(CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N[C@@H]2Cc1ccccc1)Cc1ccccn1 257333776 YCZNSJPZABFVDD-AMVJKZIMSA-N 432.612 3.646 0 40 IHAB Cc1cccc(C)c1N1C[C@@H]2C[C@]2(C(=O)Nc2ccc(OC(F)(F)F)cc2)S1(=O)=O 260842788 XGEFCMPLDYAONQ-LIRRHRJNSA-N 440.443 3.749 0 40 IHAB C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 408641903 DIKAFNISVXUFSU-XMWJODTMSA-N 448.906 3.776 0 40 IHAB Cc1ccc(C)c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4C3=O)c2)c1 408668885 VTGKVDFWETXOID-DODAUVCRSA-N 446.503 3.634 0 40 IHAB CC(C)Oc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 408707250 ILMDSWRRBIYQGZ-INIZCTEOSA-N 431.330 3.906 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCSCc2ccco2)c2ccccc2)cc1 408920432 HMHHYEBMCWGSEL-UHFFFAOYSA-N 444.578 3.833 0 40 IHAB CCn1c(CNC(=O)c2ccccc2C)nnc1SCC(=O)Nc1c(C)cccc1C 409064585 DLDDVACNONXWQX-UHFFFAOYSA-N 437.569 3.884 0 40 IHAB COc1ccc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc1I 409239168 CHACDKDIJBRJND-MHWRWJLKSA-N 448.260 3.701 0 40 IHAB Cc1ccc(N(CC(=O)NCCCOC(C)C)S(=O)(=O)c2ccccc2)cc1Cl 409254091 HPCAONMEVYPPSG-UHFFFAOYSA-N 438.977 3.775 0 40 IHAB COc1cccc(NC(=O)COc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)c1 409374877 AVMDAWWMIOPFAG-UHFFFAOYSA-N 426.494 3.822 0 40 IHAB O=C(NC[C@@H](NCc1ccccc1)c1ccco1)c1cn(-c2cccc(Cl)c2F)nn1 565296244 QKZXDAXPOWJDEW-QGZVFWFLSA-N 439.878 3.914 0 40 IHAB O=S(=O)(Cc1ccc(C(F)(F)F)cc1)N1CCC[C@@H](Oc2ncc(Cl)cn2)C1 575610772 YPNHPVWEICQRNE-OAHLLOKOSA-N 435.855 3.522 0 40 IHAB Cc1nc(/C=C/C(=O)N2CCC(Cc3cc(Nc4nccs4)ncn3)CC2)cs1 585291623 SOIARHRJYRZFJY-NSCUHMNNSA-N 426.571 3.936 0 40 IHAB CC(C)c1cc(C(=O)N2CCC[C@]3(CCCCc4ccccc4OCCNC3=O)C2)on1 643559806 BQSDTNYRFHHOSN-RUZDIDTESA-N 439.556 3.942 0 40 IHAB COc1ccc(CCNC(=O)C[C@@H](c2ccc(OC)cc2)c2oc(C)cc(=O)c2O)cc1 1547138941 IHMDNSKSHPVIHU-NRFANRHFSA-N 437.492 3.552 0 40 IHAB biogenic Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 1622249256 COSGRYGHNWFZAH-NVXWUHKLSA-N 427.975 3.667 0 40 IHAB O=C(Oc1cccc(NC(=O)c2ccco2)c1)c1cccc(S(=O)(=O)N2CCCC2)c1 854158 UTYXJEFXPRVWQV-UHFFFAOYSA-N 440.477 3.536 0 40 IHAB Cc1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)cc1 1984901 HNVPZTLEISLBMC-UHFFFAOYSA-N 428.444 3.587 0 40 IHAB OCCNCCSc1nnc(-c2ccc(Br)cc2)n1C1CCCCC1 3318543 NBKGUIQEUCGPQK-UHFFFAOYSA-N 425.396 3.887 0 40 IHAB COc1ccc(-c2nnc(SCC(=O)c3ccc4c(c3)NC(=O)CO4)n2C(C)C)cc1 3587452 MOPJATMOZHJCDW-UHFFFAOYSA-N 438.509 3.841 0 40 IHAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2cccc(Br)c2)N1CCO 4295425 JWXZAZJAQCQOEP-INIZCTEOSA-N 434.673 3.746 0 40 IHAB Cc1c(CC(=O)N2CCC(O)CC2)c(=O)oc2cc3c(cc12)CCC1(CCCCC1)O3 6759359 CBXTZPRANMUEQX-UHFFFAOYSA-N 425.525 3.655 0 40 IHAB O=C(CCN1C(=O)c2ccccc2C1=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 9219557 WJNZXXUEBLVNKI-QFIPXVFZSA-N 438.487 3.649 0 40 IHAB O=C(c1ccc(Cl)c(S(=O)(=O)NCc2cccnc2)c1)N1CC[C@H]2CCCC[C@@H]2C1 9322009 TUUFWSBZOZACLN-IEBWSBKVSA-N 447.988 3.866 0 40 IHAB CCOc1ccc(-c2nnc3ccc(SCC(=O)Nc4ccccc4OC)nn23)cc1 9415260 VPRINXFMPXVKEM-UHFFFAOYSA-N 435.509 3.929 0 40 IHAB CC(C)c1ccc(NC(=S)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1 9493556 TYSKXAOCSXSTDS-UHFFFAOYSA-N 437.562 3.779 0 40 IHAB COC(=O)C1=C(c2cc3ccccc3oc2=O)NC(=S)N[C@@H]1c1ccc(Cl)cc1 9508689 MNHGSQMNHMYDSF-QGZVFWFLSA-N 426.881 3.550 0 40 IHAB Cc1cc(C)cc(NC(=O)CN2C(=O)N[C@](Cc3ccccc3)(c3ccccc3)C2=O)c1 9545821 XHZDOQYIEDBKER-AREMUKBSSA-N 427.504 3.932 0 40 IHAB COc1cc(/C=C/C(=O)Nc2cc(C)nn2-c2nc3ccccc3[nH]2)cc(OC)c1OC 9636050 HOWVXCJDQSFCPH-MDZDMXLPSA-N 433.468 3.735 0 40 IHAB Cc1c(-c2ccccc2)oc2c(C(=O)N3CCN(c4ncccn4)CC3)cccc2c1=O 9714086 OPMIWAYJTKHONA-UHFFFAOYSA-N 426.476 3.521 0 40 IHAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccccc1OCc1ccccc1 9882389 WYGODEKQKVDNGR-UHFFFAOYSA-N 443.503 3.791 0 40 IHAB C[C@H](NC(=O)c1ccccc1NC(=O)Cn1cnc2sccc2c1=O)c1ccccc1 9951099 MIUIDOOSSKHJBW-HNNXBMFYSA-N 432.505 3.588 0 40 IHAB CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)CCCOc1ccc(C(C)=O)cc1 9983633 GXCGMTVBQLSZCQ-UHFFFAOYSA-N 441.915 3.987 0 40 IHAB CCOC(=O)[C@@H]1CCCCN1C(=O)CSc1nnc(Nc2ccc(CC)cc2)s1 11539579 ZFXRDRXZXJMNGG-INIZCTEOSA-N 434.587 3.880 0 40 IHAB CC(C)CN1Cc2cccc(C(=O)N3CCC(n4c(=O)oc5ccccc54)CC3)c2C1=O 12184630 YLVPYGTWRGOWHT-UHFFFAOYSA-N 433.508 3.684 0 40 IHAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 12548486 JNMIOQXTGQOHPW-LHSJRXKWSA-N 442.468 3.794 0 40 IHAB O=C1c2ccccc2N[C@H](c2cc(Br)ccc2F)N1CCCN1CCOCC1 12608720 IYPZLKHYBCAAOW-FQEVSTJZSA-N 448.336 3.877 0 40 IHAB CCOc1ccc(C(=O)NCC(=O)OCC(=O)N(C2CCCCC2)C2CCCCC2)cc1 12625788 LQKRVQKQYQVHPM-UHFFFAOYSA-N 444.572 3.852 0 40 IHAB CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)CCc1cnn(-c2ccccc2)c1 12742180 JQHBTKFUKVQJEX-UHFFFAOYSA-N 446.429 3.801 0 40 IHAB C[C@H](NC(=O)[C@@H](C)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1)c1ccc(F)cc1 12782711 IUIGUKFIVQFEDY-DLBZAZTESA-N 440.515 3.758 0 40 IHAB Cc1ccc(Cn2nc(C)c(/C=C/C(=O)N3CCN(Cc4csc(C)n4)CC3)c2C)cc1 12854719 YENZWTXCGYSLSY-MDZDMXLPSA-N 449.624 3.979 0 40 IHAB COCCCn1c(SCC(=O)N(C)Cc2ccco2)nnc1-c1ccc(Cl)cc1 12916397 WDCMNQABBJVKQH-UHFFFAOYSA-N 434.949 3.979 0 40 IHAB Cc1nc(CSc2ccc(C(=O)N3CCN(C(=O)N4CCCC4)CC3)cc2)cs1 12997690 HRVYFVHGBAMUIM-UHFFFAOYSA-N 430.599 3.717 0 40 IHAB Cc1nc(-c2ccc(CNC(=O)c3cc(S(=O)(=O)N(C)C)ccc3Cl)cc2)cs1 12999896 BZEILUYUCSJIEL-UHFFFAOYSA-N 449.985 3.952 0 40 IHAB O=C(CCc1nc(-c2ccsc2)no1)N1CCN(Cc2nc3ccccc3s2)CC1 13112687 STQAHJMBKPGJOJ-UHFFFAOYSA-N 439.566 3.685 0 40 IHAB CCC[C@H](c1nnnn1CCOC)N(Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 13499339 ZXELKOGYXZRKMI-JOCHJYFZSA-N 438.576 3.755 0 40 IHAB Cc1ccc(C)c(NC(=O)Cn2c(=O)n(CCc3ccccc3)c(=O)c3sccc32)c1 13533545 PHOOPYWLKGPUCW-UHFFFAOYSA-N 433.533 3.723 0 40 IHAB CC[C@@H](C(=O)NCCSCc1cccc(Cl)c1)N(c1ccccc1)S(C)(=O)=O 13711175 ACYUOICHGQHATB-IBGZPJMESA-N 441.018 3.934 0 40 IHAB CCCCOC(=O)c1ccc(N2CC3=C(C2=O)[C@@H](c2ccc(OC)cc2)NC(=O)N3C)cc1 15108312 QPGFFLCDCBISAB-JOCHJYFZSA-N 449.507 3.649 0 40 IHAB Cc1ccc(N2C(=O)N(CC(=O)NCc3ccccc3)c3ccccc3S2(=O)=O)c(C)c1 15868398 YKKPCWIMPHRARJ-UHFFFAOYSA-N 449.532 3.755 0 40 IHAB COc1ccc(Cn2nnnc2S[C@H](C)C(=O)c2ccc(Br)cc2)cc1 16368950 RYJQEQXWICXQMM-GFCCVEGCSA-N 433.331 3.856 0 40 IHAB COc1ccccc1N1C(=O)[C@@H]2[C@H]3c4ccccc4C=CN3[C@H](C(=O)c3ccco3)[C@@H]2C1=O 18141487 MERCIVODUDVRBD-AFXVXQJMSA-N 440.455 3.687 0 40 IHAB Cc1cccc(C)c1N1C(=O)[C@H]2N=NN(CC(=O)Nc3ccc(Cl)c(Cl)c3)[C@H]2C1=O 18162366 CJBHGYLPCXQRCN-FUHWJXTLSA-N 446.294 3.542 0 40 IHAB C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)OCc2cc(-c3ccco3)on2)cc1 19190817 HWCUARGHRPAJDP-HNNXBMFYSA-N 430.482 3.855 0 40 IHAB Cc1ccc(-c2cccc(C[C@]3(C(=O)N(C)C)CN(C(=O)c4ccccn4)CCO3)c2)cc1 19212741 HOWXUPJDGGSDMY-HHHXNRCGSA-N 443.547 3.599 0 40 IHAB O=C(c1cccc2ccccc12)[C@H]([C@H](c1ccccc1)N1CCOCC1)N1CCOCC1 19366034 NYOGKFRLXNPOAH-UIOOFZCWSA-N 430.548 3.797 0 40 IHAB CNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CN(C[C@@H](C)c2ccccc2)CCO1 19456209 WHFVWYAFFYCGAW-ZBLYBZFDSA-N 429.564 3.912 0 40 IHAB CCNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CN(C(=O)C2CCCCC2)CCO1 19529236 CXEVOGCECGGYPL-AREMUKBSSA-N 435.568 3.605 0 40 IHAB COc1ccc(-c2ccc(C[C@H]3CN(C(=O)c4ccccc4OC)CCNC3=O)cc2)cc1 19558343 OAEWGJIVURUAGR-QFIPXVFZSA-N 444.531 3.802 0 40 IHAB CN(C)C(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)c2cncc(N)c2)C1 19579222 QPKPMJVTSNQGIR-RUZDIDTESA-N 448.592 3.946 0 40 IHAB Nc1n[nH]c2nc([C@@H]3CCCN(C(=O)Cc4c[nH]c5ccccc45)C3)cc(C(F)(F)F)c12 19742140 WCFOONZUBUDUKG-GFCCVEGCSA-N 442.445 3.989 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(F)cc2)Cc2cccc(C)c2)cc1 20012641 AIFUXUGUKRWIPE-UHFFFAOYSA-N 440.540 3.950 0 40 IHAB Cc1ccc(N(CC(=O)NCc2ccncc2)S(=O)(=O)c2ccccc2)cc1Cl 20234727 NJPOBYRQOHFGMZ-UHFFFAOYSA-N 429.929 3.555 0 40 IHAB Cc1ccc(C)c(NC(=O)CSc2ncc3c(n2)-c2ccccc2N(C)S3(=O)=O)c1 20582683 FVHWZZIVKCUYLS-UHFFFAOYSA-N 440.550 3.630 0 40 IHAB COc1ccc(CN2CCN(C(=O)c3cc4c(C(F)(F)F)nn(C)c4s3)CC2)cc1 20616969 BCULVDJQSLYTNG-UHFFFAOYSA-N 438.475 3.620 0 40 IHAB Cc1cc(=O)c(C(=O)Nc2nc(CN3CCCCC3)cs2)nn1-c1ccccc1Cl 22289960 JLBSNRNPOTTXEC-UHFFFAOYSA-N 443.960 3.889 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3cc(C)c(C)cc3C)CC2)cc1 22539809 BICARNZKYIHSQZ-IBGZPJMESA-N 444.597 3.899 0 40 IHAB COCCn1c(C)cc(O)c([C@H](c2cccnc2)N2CCC(Cc3ccccc3)CC2)c1=O 22697860 BRIBYKOEUGRNKZ-SANMLTNESA-N 447.579 3.948 0 40 IHAB O=C(NCCSc1ccc(Cl)cc1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 24606772 DHLKQKALQTXVNV-CQSZACIVSA-N 445.031 3.711 0 40 IHAB O=C(Nc1ccc(F)c(F)c1)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 24613562 YBDNGGOAVCTXOD-UHFFFAOYSA-N 446.878 3.938 0 40 IHAB CCOc1ccc(OC[C@@H](O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1 24843860 WQLTXUZLQKZUKE-NRFANRHFSA-N 441.549 3.716 0 40 IHAB O=C(c1cn(-c2ccccc2)nc1-c1ccccc1)N1CCN(C(=O)N2CCCC2)CC1 24968844 FSSABOCVNKPYTB-UHFFFAOYSA-N 429.524 3.513 0 40 IHAB O=C(Nc1ccnn1Cc1ccccc1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 24969693 ICTPANJVDVQHDY-UHFFFAOYSA-N 426.432 3.573 0 40 IHAB O=C(NC1CCN(Cc2ccccc2)CC1)/C(=C\c1ccco1)NC(=O)c1ccccc1 28631843 YFGHONBNTIVMPW-HKOYGPOVSA-N 429.520 3.831 0 40 IHAB O=C(NCc1ccco1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 29790343 BKLDFCSIVTZMSR-OAHLLOKOSA-N 437.883 3.855 0 40 IHAB Cc1cc(C(=O)NC[C@@H](C)Cn2nc(C)cc2C)c2c(C)nn(Cc3ccccc3)c2n1 36616695 HZDZGYTXFSAXEQ-MRXNPFEDSA-N 430.556 3.976 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(F)cc2)c2ccccc2)cc1 44902026 IXTWKXIROWOWLP-UHFFFAOYSA-N 442.512 3.736 0 40 IHAB O=C(Cn1nc2c(SC3CCCCC3)nccn2c1=O)Nc1ccc(F)c(Cl)c1 49008979 BSQHDZRUYDTOHX-UHFFFAOYSA-N 435.912 3.747 0 40 IHAB Cc1ccc(N2C(=O)N(CCOc3ccc(F)cc3)S(=O)(=O)c3cccnc32)cc1 49420922 FXISGEWYWFSYCV-UHFFFAOYSA-N 427.457 3.871 0 40 IHAB CCCCCn1c(CN(Cc2ccccc2)Cc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 57389614 ODPFOIVYWAIBQR-UHFFFAOYSA-N 445.567 3.816 0 40 IHAB NC(=O)c1ccccc1OCc1cccc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)c1 58016907 MQJPULOAJYNYIJ-DEOSSOPVSA-N 443.547 3.931 0 40 IHAB CN(C)C(=O)C1CCN(C(=O)c2ccccc2C(=O)c2ccc(Br)cc2)CC1 58161494 JYYHPYHOGUFYLP-UHFFFAOYSA-N 443.341 3.621 0 40 IHAB Nc1ncc(-c2cccc(F)c2)c([C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)n1 72346017 NILWYYLQXGCNPO-HNNXBMFYSA-N 430.480 3.572 0 40 IHAB O=C1NCCN(C(=O)CCCc2ccc(F)cc2)[C@@H]1Cc1cccc(-c2cccnc2)c1 72351723 LYDLTZNFSNKIHG-XMMPIXPASA-N 431.511 3.780 0 40 IHAB Cc1cc(C)c(C(=O)NC2CCN(CC3(c4ccc(Cl)cc4)CCC3)CC2)c(=O)[nH]1 72393390 UKYBANOBXGPJSZ-UHFFFAOYSA-N 427.976 3.961 0 40 IHAB Cc1ccc(-c2cc(C[C@]3(C(=O)N(C)C)CCCN(C(=O)c4ccncc4)C3)on2)cc1 72395998 NYQDQDKBSKXXGC-RUZDIDTESA-N 432.524 3.598 0 40 IHAB COCc1cc(C)nc2sc3c(c12)N[C@H](c1ccc(OC)c(OC)c1OC)NC3=O 78546591 IVLLTFDODUCUTI-IBGZPJMESA-N 429.498 3.631 0 40 IHAB CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N1c2ccccc2C[C@H]1C(=O)OC(C)(C)C 84752664 WPUYRKJZHUKYEA-PKTZIBPZSA-N 434.536 3.822 0 40 IHAB COc1ccc(CCNC(=S)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 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Cc1ccc(OCCNC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)cc1Cl 224180710 XWMFYKJORSGDAH-UHFFFAOYSA-N 431.341 3.506 0 40 IHAB COc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2F)cc1 224532295 KYLHWNGZPLOYSS-UHFFFAOYSA-N 430.457 3.653 0 40 IHAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1cc(Cl)ccc1OC 225213717 KLKGTKLYHMKDPU-QGZVFWFLSA-N 426.922 3.541 0 40 IHAB COc1ccc(CCNC(=O)c2ccccc2NC(=O)Cc2ccccc2F)cc1OC 225447616 WKIXMHRAUAIZMM-UHFFFAOYSA-N 436.483 3.997 0 40 IHAB CC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)c1ccc(C)cc1C 225500815 KGQPRZWLWQDAON-QHCPKHFHSA-N 444.597 3.980 0 40 IHAB COc1ccc(Nc2cc(C)nc([C@@H]3CCN(C(=O)Cn4nnc5ccccc54)C3)c2)cc1 257293934 QRTLWSIMQMKFAG-GOSISDBHSA-N 442.523 3.903 0 40 IHAB Cc1c(F)cccc1NC(=O)CN1CC[C@@H]2[C@H]1CCCC(=O)N2Cc1ccc(F)cc1 257312981 UQMMZEWVJQUYEL-FGZHOGPDSA-N 427.495 3.867 0 40 IHAB COc1ncccc1C(=O)N1[C@@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(C)=O 257344685 ZYHDSTSXDMGJQT-ULKMUXEJSA-N 433.552 3.706 0 40 IHAB COc1ccc(C)cc1N([C@@H](C)C(=O)N[C@H](C)c1ccc2c(c1)CCC2)S(C)(=O)=O 260937204 POIUBFKYZZWHAH-SJORKVTESA-N 430.570 3.524 0 40 IHAB COc1ccc(CN2Cc3c(nn(C)c3O)C3(CCN(Cc4ccccc4)CC3)C2)cc1 306127931 GLAHCPAEWLOOCN-UHFFFAOYSA-N 432.568 3.684 0 40 IHAB COc1ccc(-c2cccc3nc([C@@H]4CN(C(=O)c5cccc(C)n5)CCN4C)cn23)cc1 306141524 VZEPPOBBQXNUPL-DEOSSOPVSA-N 441.535 3.842 0 40 IHAB Cc1ncsc1CN1CCN(CC2CC2)[C@H](c2cn3c(N4CCCC4)cccc3n2)C1 306144860 ZQTMSZRVBXLIRL-NRFANRHFSA-N 436.629 3.968 0 40 IHAB Cc1ccc(Cl)cc1NC(=O)CN(Cc1ccc(Br)cc1)S(C)(=O)=O 408602652 AIUQCTAJQSCEQJ-UHFFFAOYSA-N 445.766 3.811 0 40 IHAB CC(=O)Nc1ccc(NC(=O)COC(=O)CCC(=O)Nc2cccc3ccccc23)cc1 408662580 KGXWLFBFUBPTSD-UHFFFAOYSA-N 433.464 3.699 0 40 IHAB COc1cc(NC(=O)CCCN(c2ccccc2)S(C)(=O)=O)c(OC)cc1Cl 408695757 YJWIXCYVWSTHEB-UHFFFAOYSA-N 426.922 3.542 0 40 IHAB COc1ccccc1CNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 409026606 UHNJKLAOEPYKBE-UHFFFAOYSA-N 444.940 3.860 0 40 IHAB COc1ccc(OC)c(NC(=O)CCc2ccc(S(=O)(=O)NC3CCCCC3)cc2)c1 409229279 MNBMWYITKVPDQI-UHFFFAOYSA-N 446.569 3.886 0 40 IHAB O=C1C[C@H](c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)N2NC=NC2=N1 409378975 TUXWAARJKZFQDC-OAHLLOKOSA-N 433.693 3.857 0 40 IHAB O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)NCCSc1ccccc1 524732335 MYJAQEGVCJPMKA-QHCPKHFHSA-N 443.528 3.710 0 40 IHAB COCCNC(=O)CSc1ccccc1C(=O)Nc1ccn([C@@H](C)c2ccccc2)n1 675391204 USNOSMYVQUMKEA-KRWDZBQOSA-N 438.553 3.599 0 40 IHAB CCn1c(CNC(=O)c2ccc(C)cc2)nnc1SCC(=O)Nc1c(C)cccc1C 639450 CWFSVVXUDOJDOT-UHFFFAOYSA-N 437.569 3.884 0 40 IHAB CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc(C(=O)N2CCOCC2)c1C 820257 JYPBGSNPTNBKRE-UHFFFAOYSA-N 436.917 3.611 0 40 IHAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](c3nc(-c4ccc(C)cc4)no3)C2)cc1 1363355 CMHNZGCQZPYFTD-SFHVURJKSA-N 440.525 3.572 0 40 IHAB O=C(CNC(=O)c1ccc(Br)o1)O[C@H](C(=O)c1ccccc1)c1ccccc1 2268576 VOHZKNYJYUZENN-FQEVSTJZSA-N 442.265 3.939 0 40 IHAB NC(=O)CSc1nnc(CSc2nc3ccccc3s2)n1Cc1ccccc1 2635226 LSIMPJXPPDGYQN-UHFFFAOYSA-N 427.580 3.806 0 40 IHAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)O[C@H](C)C(=O)NC(=O)NC1CCCCC1 2652534 KRTJMXTZIKTTSD-CQSZACIVSA-N 432.908 3.538 0 40 IHAB COc1cc(OC)c(C(=O)OCC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1OC 3322518 VBVRCKBBFHXTBV-UHFFFAOYSA-N 449.459 3.739 0 40 IHAB Cc1ccc2c(COC(=O)[C@H](Cc3ccccc3)NC(=O)c3ccco3)cc(=O)oc2c1 3346343 NTSCXNLTQBCXAL-FQEVSTJZSA-N 431.444 3.779 0 40 IHAB O=C(COc1ccc(-c2nnco2)cc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 8727729 QGEXDIVUDWIBMT-UHFFFAOYSA-N 448.401 3.610 0 40 IHAB CN(CC(=O)N1CCOCC1)c1nc(-c2cccnc2)nc2scc(-c3ccccc3)c12 8750707 HUQHVOJJSCITOX-UHFFFAOYSA-N 445.548 3.715 0 40 IHAB O=c1c2c3c(sc2n2c(S)nnc2n1-c1ccccc1)CN(Cc1ccccc1)CC3 8837014 JVWDNTDRXYXIDJ-UHFFFAOYSA-N 445.573 3.942 0 40 IHAB COc1cc([C@@H]2CC(=O)N(c3cccc(Cl)c3)C3=C2C(=O)OC3)cc(OC)c1OC 9031659 FWIBRKLNKPKIKI-HNNXBMFYSA-N 429.856 3.697 0 40 IHAB O=C(NCCc1c[nH]c2ccccc12)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 9138241 IPGLGBLDPZFALY-UHFFFAOYSA-N 431.945 3.578 0 40 IHAB Cc1ccc2c(CC(=O)NN3C(=O)NC(c4ccccc4)(c4ccccc4)C3=O)coc2c1 9216928 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COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)N2C2CCCC2)cc1 9933988 CJOWKHNQQVQTSV-NRFANRHFSA-N 437.496 3.812 0 40 IHAB CC(=O)n1c(SCC(=O)NC2=NN=C(c3ccc(C)cc3)CS2)nc2ccccc21 10059414 VYCJSECIMROAOJ-UHFFFAOYSA-N 437.550 3.720 0 40 IHAB CSc1cccc2sc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3cccs3)nc12 10187270 ZAIUUAMRKAJKSP-NSHDSACASA-N 439.609 3.872 0 40 IHAB COc1cc(CNC(=O)COc2ccc(Br)cc2F)ccc1OC(F)F 10440768 JEEYKSASBJJARO-UHFFFAOYSA-N 434.208 3.893 0 40 IHAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)N3CCc4ccccc43)Oc3ccccc32)cc1 10449363 GJRDFWXMAJIZMM-QHCPKHFHSA-N 434.517 3.541 0 40 IHAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)C(C)(C)Oc1ccc(Cl)cc1 10971032 WPQLLDIEJAHDEL-HNNXBMFYSA-N 443.931 3.720 0 40 IHAB CCOC(=O)[C@](NC(=O)Nc1ccc(OC)cc1OC)(c1ccccc1)C(F)(F)F 12412345 BVHKVFUUQKZZRL-LJQANCHMSA-N 426.391 3.846 0 40 IHAB CCN1C[C@H](CN(C)Cn2nc(Cc3cccs3)n(C)c2=S)Oc2ccccc21 12544078 HNEFJRNQACCBGA-INIZCTEOSA-N 429.615 3.780 0 40 IHAB Nc1ncnc2sc3c(c12)CCN(C(=O)c1ccc(-n2cnc4ccccc42)cc1)C3 12582516 CRVHCTMHMHYXBG-UHFFFAOYSA-N 426.505 3.811 0 40 IHAB COc1ccc(-c2noc(CN(C(=O)c3c(OC)cccc3OC)C(C)C)n2)cc1OC 12654599 OSKQWXYLZGQKBC-UHFFFAOYSA-N 441.484 3.822 0 40 IHAB CCC(CC)c1nnc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)s1 12852034 BOPGZDMOYNXFAM-QGZVFWFLSA-N 436.603 3.932 0 40 IHAB C[C@H](c1ccccc1)N(C)C(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 12871494 JOSULUIIEXCLMW-CQSZACIVSA-N 432.450 3.579 0 40 IHAB COc1ccccc1Cn1c(=O)c2ccccc2n2c(=S)n(CN3CCC(C)CC3)nc12 13071541 KVTVMPVIMAILRM-UHFFFAOYSA-N 449.580 3.926 0 40 IHAB CCc1ccc(N(CC(=O)NC2CCCC2)C(=O)CCC(=O)Nc2nc(C)cs2)cc1 13505642 OPRKTRPWCTZZQL-UHFFFAOYSA-N 442.585 3.825 0 40 IHAB O=C(NC1CCCCCC1)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 13678704 XWHOJJHICTXDRC-QFIPXVFZSA-N 428.554 3.623 0 40 IHAB Cc1ccc(C)c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)c1 13856519 POIQZILOGSTIRI-OAHLLOKOSA-N 445.313 3.601 0 40 IHAB COc1ccc([C@H]2CCCCCN2CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)cc1 15105803 KEYCYOFURKQXAM-LJQANCHMSA-N 425.485 3.689 0 40 IHAB O=C(NCc1ccncc1)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 15434316 RIGJZBHWZMOIIS-UHFFFAOYSA-N 446.326 3.575 0 40 IHAB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1 15541608 ZHXWKZMRUHKWIQ-QFIPXVFZSA-N 449.576 3.516 0 40 IHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 15608583 JTVZIFKZXCZJFB-KRWDZBQOSA-N 443.569 3.642 0 40 IHAB Cc1nnc2sc(-c3ccccc3NC(=S)NC(=O)c3ccccc3Cl)nn12 17096239 PXEXCGHZYAWNLY-UHFFFAOYSA-N 428.930 3.941 0 40 IHAB Cc1ccn(C[C@@H](C)C(=O)NC2CCN(c3ncc(-c4ccncc4)c(C(C)C)n3)CC2)n1 19238014 DEBXEPYUTFCKDW-GOSISDBHSA-N 447.587 3.588 0 40 IHAB O=S(=O)(c1ccc(Cl)cc1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 19309313 RIWUPEWXZNWTPZ-UHFFFAOYSA-N 433.986 3.970 0 40 IHAB CCCN1CCN(C(=O)c2cc[nH]n2)C[C@@H](Cc2ccccc2-c2ccc(C)cc2)C1=O 19503143 JSTUAHCWKVRRHI-JOCHJYFZSA-N 430.552 3.938 0 40 IHAB CCc1nc2ccccc2n1CCC(=O)N1CCC[C@@H](c2nc(-c3cccnc3)no2)C1 19523279 YYXFLYSOCNXBOL-GOSISDBHSA-N 430.512 3.840 0 40 IHAB CNC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CCCN(C(=O)COc2ccccc2)C1 19591125 VNMODKDVPZMNGP-MHZLTWQESA-N 443.547 3.725 0 40 IHAB COc1ccc(-c2nc([C@H]3CCCN(C(=O)Cc4ccc(C)c(C)c4)C3)[nH]c2C(N)=O)cc1 19698967 NXXZBSAESXKDHP-FQEVSTJZSA-N 446.551 3.750 0 40 IHAB CC[C@@H](c1ccc(F)cc1)N(C)C(=O)Cn1cccc(C(=O)NC2CCCCC2)c1=O 19750573 ICHZBTWYQMCUEV-NRFANRHFSA-N 427.520 3.660 0 40 IHAB COc1ccc(-c2ncc(CN3CC[C@@H](c4cc(C(N)=O)c5ccccc5n4)C3)cn2)cc1 19761914 RELJHKCWLMWACQ-LJQANCHMSA-N 439.519 3.789 0 40 IHAB Cc1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1OCC(=O)NCc1ccc(F)cc1 20022479 VQAMHGUYSMJLPN-UHFFFAOYSA-N 446.475 3.769 0 40 IHAB COc1cc(C)c(NC(=O)CCn2cnc3ccc(Br)cc3c2=O)cc1OC 22414788 PLGBCGWUEJLUNH-UHFFFAOYSA-N 446.301 3.513 0 40 IHAB CN(C)S(=O)(=O)c1cccc(S(=O)(=O)Oc2cc(Cl)c(Cl)cc2Cl)c1 24244951 ULWWUPMWMGZAAE-UHFFFAOYSA-N 444.745 3.665 0 40 IHAB CN(C[C@@H]1COc2ccccc2O1)C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 24651938 XNBHPSRWCMEKCZ-FGZHOGPDSA-N 430.504 3.846 0 40 IHAB C[C@]12CCC(=O)N1[C@@H](C(=O)NCc1cn(-c3ccccc3)nc1-c1ccccc1)CS2 26069441 CWVHQSWFGOWVMF-YKSBVNFPSA-N 432.549 3.610 0 40 IHAB O=C(Nc1ccccc1)N1CCC[C@@H](C(=O)N2CCN(c3cccc(Cl)c3)CC2)C1 26563011 KYNWBGJMURNVHO-GOSISDBHSA-N 426.948 3.933 0 40 IHAB CS(=O)(=O)c1ncc(Br)c(C(=O)Nc2ccc(-c3ccccc3)cc2)n1 27743610 ISPPEWVYTJLYSO-UHFFFAOYSA-N 432.299 3.562 0 40 IHAB COc1ccc([C@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1OC 30869744 VOYUZVDISYYAKB-INIZCTEOSA-N 440.521 3.996 0 40 IHAB CC(C)Cc1csc2c1c1nc(-c3ccco3)nn1c(=O)n2CC(=O)N1CCCCC1 32073528 WVKPCAPFTMUYDY-UHFFFAOYSA-N 439.541 3.577 0 40 IHAB CN(CCCC(=O)Nc1nc(-c2cccs2)cs1)S(=O)(=O)c1cccs1 40032311 NEZDQMOZXSKXAN-UHFFFAOYSA-N 427.598 3.973 0 40 IHAB O=C(C1CCN(Cc2nc3ccccc3[nH]2)CC1)N1CCN(C/C=C/c2ccccc2)CC1 44443543 QJOFVSRXSUFCBC-RMKNXTFCSA-N 443.595 3.633 0 40 IHAB O=C(Cn1cccc1-c1nc(-c2ccc(F)cc2)no1)N1CCN(c2ccccc2F)CC1 57486628 VBYZFTWZCUKUQL-UHFFFAOYSA-N 449.461 3.832 0 40 IHAB Cc1ccc([C@H](NC(=O)CS(=O)(=O)Cc2cccc(Br)c2)C2CC2)cc1 57727345 BJYVCNBQARRTHL-FQEVSTJZSA-N 436.371 3.940 0 40 IHAB COc1ccccc1[C@H](CNS(=O)(=O)Cc1cccc(C(F)(F)F)c1)N1CCCC1 58246427 AXUPFOSQKNVZIS-IBGZPJMESA-N 442.503 3.971 0 40 IHAB C[C@H]1CN(c2ccc(NC(=O)N(C)Cc3nccn3CC(F)(F)F)cc2F)C[C@H](C)O1 58315651 XRWLMMPVXCCQOG-KBPBESRZSA-N 443.445 3.862 0 40 IHAB O=C1CCCN1CCCn1c(SCc2ccc(F)cc2F)nc2ccccc2c1=O 67258601 UBJWXEGJEDZWFC-UHFFFAOYSA-N 429.492 3.980 0 40 IHAB CCOc1ccc(CNC(=O)c2cn(-c3ccc(-c4nc(C(C)C)no4)cn3)cn2)cc1 71768317 AVJUBFAWUYVTKC-UHFFFAOYSA-N 432.484 3.769 0 40 IHAB CCN1CCN(C2CCN(c3ncc(-c4cccs4)c(-c4nccs4)n3)CC2)CC1 72396544 AMGQIXHPMWCNDB-UHFFFAOYSA-N 440.642 3.935 0 40 IHAB O=C(/C=C/c1ccccc1Br)N1CCN(C(=O)Cc2ccc(F)cc2)CC1 84494405 QVRIBPQDSXRJML-JXMROGBWSA-N 431.305 3.515 0 40 IHAB C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NCCCCN2CCN(c3ccccc3)CC2)c1 84687073 BBCHSWCDTLTDGD-RDPSFJRHSA-N 434.584 3.613 0 40 IHAB CC[C@](C)(COc1ncccc1Cl)NCC(=O)Nc1ccc(Br)cn1 89942113 PZFWQPDLBFVBNM-QGZVFWFLSA-N 427.730 3.668 0 40 IHAB O=S(=O)(c1ccc(Br)s1)N1CC(Oc2nc3ccccc3s2)C1 90594375 IELAYFKRTIXUFK-UHFFFAOYSA-N 431.358 3.572 0 40 IHAB CCOc1ccccc1[C@H](CC(C)C)NC(=O)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O 95405966 CAMRDASJHDZVLL-HNNXBMFYSA-N 439.434 3.635 0 40 IHAB CCCCNC(=O)N1CCC2(CC1)C(=O)N(c1ccc(C)nc1)CCN2Cc1ccccc1 96230411 VLSGJXODGCAQKD-UHFFFAOYSA-N 449.599 3.583 0 40 IHAB Cc1cc(C)n(CCCC(=O)N2Cc3nc4c(-c5ccccc5)c(C)nn4c(O)c3C2)n1 100728617 VEGIRDLBEZPPCE-UHFFFAOYSA-N 430.512 3.546 0 40 IHAB COc1ccccc1C(=O)NC(=S)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@H]34)[C@@H]21 100765847 SWRZRJWUJZJRRD-GWOFKNCZSA-N 425.598 3.605 0 40 IHAB biogenic C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)/N=c3/sc4cc(F)ccc4n3C)cc2)C1 100861237 NJVMRSDZOGICRK-OESDUMLDSA-N 447.557 3.541 0 40 IHAB COc1ccc(-n2cccc2/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc1 108191913 VTQZXFQZKCJDPU-RGEXLXHISA-N 425.510 3.535 0 40 IHAB COc1ccc([C@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc(SC)cc3)CC2)cc1 113956115 JPGIIDXIQHSUOH-INIZCTEOSA-N 448.610 3.695 0 40 IHAB CC(C)c1ccc(CCNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 216350991 CUUZRFLJILSRTF-UHFFFAOYSA-N 428.598 3.711 0 40 IHAB CCCCNC(=O)c1ccccc1NC(=O)CCCN(c1ccccc1C)S(C)(=O)=O 222556989 PTYKEUPONUUSSN-UHFFFAOYSA-N 445.585 3.710 0 40 IHAB O=C(Nc1nnc(S(=O)(=O)NC2CCCCCCC2)s1)c1ccccc1Cl 222866883 JCOBAGMGXLFGPO-UHFFFAOYSA-N 428.967 3.835 0 40 IHAB Cc1ccc(C)c(N(CC(=O)NCCc2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1 223467505 ZWICGBMHOLHFCD-UHFFFAOYSA-N 440.540 3.997 0 40 IHAB CCc1ccc(OCCNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 223715365 KHSBABGIJPXPNF-UHFFFAOYSA-N 445.368 3.517 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)N[C@@H](C)c1ccc(C)cc1C 223987986 WVEMZTSAZZFDGL-IBGZPJMESA-N 444.597 3.907 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)N3CCN(c4ccccc4)CC3)c2)cc1 224260226 QXULJDVJIVPVIR-UHFFFAOYSA-N 449.576 3.783 0 40 IHAB COc1ccc(CN(C(=O)COc2ccc(C)cc2C)[C@@H](C)C(=O)NCC(C)C)cc1 224481857 MNODCDLODHKCLA-FQEVSTJZSA-N 426.557 3.880 0 40 IHAB COc1ccc(CN(C(=O)CCCOc2ccc(OC)cc2)[C@H](C)C(=O)NC(C)C)cc1 225676512 QLDMBFUMYXWSIC-LJQANCHMSA-N 442.556 3.805 0 40 IHAB CCCC[C@](C)(O)[C@@H]1C[C@@]23C=C[C@@]1(OC)[C@]1(C)Oc4c(O)ccc5c4[C@]21CCN(C)[C@H]3C5 253504955 NODDVOPQRZIFJX-QOUBXXMZSA-N 439.596 3.944 0 40 IHAB biogenic,in-vitro NC(=O)CC1(COc2ccc(Cl)cc2)CCN(C(=O)CCc2ccc(F)cc2)CC1 257265009 LWXKAIODRVLSCY-UHFFFAOYSA-N 432.923 3.975 0 40 IHAB Cc1ccc(Cl)c(OC[C@]2(O)CCCN(CC(=O)NCCc3ccccc3)CC2)c1 257327127 XABPTKXFCDGDED-DEOSSOPVSA-N 430.976 3.603 0 40 IHAB Cc1cc(-c2ccc(N)nc2)cc([C@H]2CN(C(=O)c3ccc4c(c3)CCCN4C)CCO2)n1 257340508 ZGLDWTRBQAMBDC-XMMPIXPASA-N 443.551 3.630 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCCCC3)cc2)cc1Cl 408560692 PIEMSOXGNFDJRJ-UHFFFAOYSA-N 438.933 3.541 0 40 IHAB O=C(O)CC[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(Br)cc2)CC1 408613023 WJAPEMPJLFZMQB-LJQANCHMSA-N 449.320 3.952 0 40 IHAB Cc1cccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)c2)c1C 408665346 RLFWUEZYHSPVMK-BGYRXZFFSA-N 432.476 3.555 0 40 IHAB CCOc1cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)ccc1OCC(=O)OC 408782082 HAHWBJLJDFRYSS-BXDIUNCMSA-N 442.537 3.799 0 40 IHAB O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)NC[C@@H]1C[C@H]2C=C[C@H]1C2 524735007 YOMHNEGCTHBVHV-LZDTVADOSA-N 427.504 3.520 0 40 IHAB C[C@@H]1Oc2ccc(C(=O)C3CCN(C(=O)N[C@@H]4c5ccccc5O[C@@H]4C)CC3)cc2NC1=O 575088557 LKSPREJTJLDAIJ-GTQRCTGISA-N 449.507 3.533 0 40 IHAB CCS(=O)(=O)Nc1cccc(C(=O)NCc2ccc(Cn3cnc4ccccc43)cc2)c1 1251372878 ILJUDHSTSWHSEF-UHFFFAOYSA-N 448.548 3.776 0 40 IHAB CCOC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3[C@H](C[C@H](O)[C@]12C)[C@@]1(C)CC[C@@H](O)C[C@@H]1C[C@H]3O 1547208467 FPDXMWHJGOCDQJ-WQUUSAOOSA-N 436.633 3.927 0 40 IHAB Cc1cc(S(=O)(=O)N2CC3(C[C@H](N4CCC(C)CC4)CS3)C2)c(C)cc1Cl 2056223477 NGTMLYMLTSFYQZ-KRWDZBQOSA-N 429.051 3.937 0 40 IHAB O=C(N[C@@]1(C(F)(F)F)N=C(O)N(c2ccc(F)c(Cl)c2)C1=O)c1ccccc1F 2390992 IGAUWWRHGXLQCE-MRXNPFEDSA-N 433.720 3.567 0 40 IHAB CC(C)OCCCNC(=O)c1c(N)n(Cc2ccc(F)cc2)c2nc3ccccc3nc12 2436184 AEDIXNIWEMGBGU-UHFFFAOYSA-N 435.503 3.899 0 40 IHAB COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)NCC1CCCCC1 2624439 QVPQBTLSIBTHBL-UHFFFAOYSA-N 428.554 3.757 0 40 IHAB COc1ccc(C)cc1NC(=O)COC(=O)[C@@H](CC(C)C)NC(=O)c1ccccc1C 2634841 JIJVETBAQJOJCH-HXUWFJFHSA-N 426.513 3.638 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCc1cccc2ccccc12 2645753 AMXGVXDARXOSKY-UHFFFAOYSA-N 425.506 3.526 0 40 IHAB COc1cc(-c2noc(-c3ccccc3C(=O)NCc3ccco3)n2)cc(OC)c1OC 4295200 YDRCPFFLLKJHOK-UHFFFAOYSA-N 435.436 3.952 0 40 IHAB CCOC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cccc(OCC(C)C)c2)c1 7496700 UTEYCTYELCYPBU-UHFFFAOYSA-N 426.513 3.987 0 40 IHAB CN(C)c1ccc(C(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3c2cc(-c3ccccc3)nn2C)cc1 8635321 FPZUWICWECAIKT-QTJGBDASSA-N 443.595 3.761 0 40 IHAB biogenic,in-vitro COc1ccc(/C=C2\N=C(S[C@@H](C)C(N)=O)N(c3ccc(Cl)c(OC)c3)C2=O)cc1 8923970 HBHIYLOOTQDLOD-NJPLLEPOSA-N 445.928 3.708 0 40 IHAB CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(C(=O)c2ccco2)CC3)cc1 8977183 RPPNOMAHHRXJHD-UHFFFAOYSA-N 426.494 3.678 0 40 IHAB CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NCc3ccc(F)cc3)c2)cc1 9283330 DGIJXFWIRMQNKP-UHFFFAOYSA-N 428.485 3.955 0 40 IHAB CN1c2ccccc2-c2nc(SCC(=O)Nc3ccc(Cl)cc3)ncc2S1(=O)=O 9301250 YKCBLOOARUDEGG-UHFFFAOYSA-N 446.941 3.666 0 40 IHAB Cc1cc(C)cc(NC(=O)CSc2nc3nccnc3c(=O)n2Cc2ccc(F)cc2)c1 9405343 KBZWOAWLTFQOFU-UHFFFAOYSA-N 449.511 3.722 0 40 IHAB CN(C(=O)CSc1nnc(-c2ccco2)o1)c1ccccc1C(=O)NCc1ccco1 9446723 UCEZKSMDLODUBZ-UHFFFAOYSA-N 438.465 3.608 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CSc1nnc(NC[C@H]2CCCO2)s1 9512976 ROMFYGIUUXZGSQ-MRXNPFEDSA-N 444.586 3.662 0 40 IHAB O=C(NC1CCCCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 9559467 LEFCQZUWTGDARH-CYBMUJFWSA-N 449.436 3.750 0 40 IHAB CCn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1cccc(C)c1C 9601107 HEJQDZFGWWVFEX-UHFFFAOYSA-N 441.532 3.715 0 40 IHAB O=C(CSc1nnc(Nc2ccccc2)s1)Nc1ccccc1C(=O)NC1CC1 9672571 JHPQVYCGGHBPMQ-UHFFFAOYSA-N 425.539 3.905 0 40 IHAB COc1ccc([C@@H](NC(=O)CSc2nnnn2-c2cccc(F)c2)c2ccccc2)cc1 9909026 FERXJFRGFBFPOC-QFIPXVFZSA-N 449.511 3.808 0 40 IHAB C[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)c1n[nH]c(=O)c2ccccc12)OCCO3 10367512 XJGMICFZXVPTCA-HNNXBMFYSA-N 431.492 3.723 0 40 IHAB Cc1cc(C)c(S(=O)(=O)N(C)c2ccccc2)cc1N(C)S(=O)(=O)c1ccccc1 10435081 IMAXDSQZGZCTKU-UHFFFAOYSA-N 444.578 3.954 0 40 IHAB CCOc1ccc(NC(=O)c2ccc(Br)o2)cc1S(=O)(=O)N(CC)CC 11087225 XPXDYLWNYJPNDQ-UHFFFAOYSA-N 445.335 3.724 0 40 IHAB COc1ccc(OC)c(CN2CCN(c3nn4cc(-c5ccccc5)nc4s3)CC2)c1 12519863 OMEDRCVKLOXOKZ-UHFFFAOYSA-N 435.553 3.797 0 40 IHAB C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)o1 12607099 RECYCGWDQJUZQQ-SAYRFQENSA-N 437.540 3.728 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC[C@@H](c3ccco3)N(C)C)c2)cc1F 12630382 UBBLZYMVLDDEGJ-FQEVSTJZSA-N 445.516 3.561 0 40 IHAB COC(=O)c1cc(-c2csc(NC(=O)CCc3nc(-c4ccsc4)no3)n2)c[nH]1 12908020 HKKKSMXTAQMKQR-UHFFFAOYSA-N 429.483 3.608 0 40 IHAB COC(=O)c1cc(Br)ccc1S(=O)(=O)NCCc1ccc(C(C)C)cc1 13137555 SDTUCTZPYVUAFA-UHFFFAOYSA-N 440.359 3.880 0 40 IHAB CCCCN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC1CCCC1)c1ccccc1 13497103 JQLYNIGCOQQBAO-DEOSSOPVSA-N 433.556 3.860 0 40 IHAB Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(=O)NC[C@@H](O)c3ccccc3)ccc12 13574701 WZEYHIONASGDFK-XMMPIXPASA-N 443.499 3.921 0 40 IHAB CC(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)c1 14094792 DHTYOHWEEDLCAH-IYBDPMFKSA-N 429.542 3.564 0 40 IHAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)c1 14227143 LHAHEHOXIFBHAO-NRFANRHFSA-N 442.585 3.868 0 40 IHAB NS(=O)(=O)c1ccc(C(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)cc1 16297878 UTLKLQRDLLSXTG-UHFFFAOYSA-N 432.448 3.779 0 40 IHAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(F)c(Cl)c2)cc1Cl 16692625 BPIBVNBMUAMAAC-UHFFFAOYSA-N 435.304 3.790 0 40 IHAB COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)Nc2ccc(F)c(Cl)c2)cc1 16858788 QSUFIOCRSZYAFO-QWAJQTJBSA-N 448.878 3.576 0 40 IHAB CCC(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(NC(=O)C(C)C)cc3)cc21 17247968 WVJAPLJXQWWMOR-UHFFFAOYSA-N 429.542 3.771 0 40 IHAB CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCCN3C(=O)Cn3nc(C)cc3C)cc2n1 19522205 CTPAMUQSIZUSFY-KRWDZBQOSA-N 434.466 3.878 0 40 IHAB CCNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)c2cccnc2)C1 19528674 CMTNHTPJBYZSKG-AREMUKBSSA-N 428.536 3.745 0 40 IHAB COc1cccc(CC(=O)N2CCNC(=O)[C@@H](Cc3ccc(-c4ccccc4F)cc3)C2)c1 19564360 FRGYOVCJQPJIAU-QFIPXVFZSA-N 446.522 3.861 0 40 IHAB Cc1cc(-c2nnc(SCc3cc(=O)n4ccsc4n3)n2C[C@@H]2CCCO2)cs1 19643931 POQQMQUIZDAGMN-HNNXBMFYSA-N 445.595 3.856 0 40 IHAB Cc1nc([C@@H]2CCCN(C(=O)C(C)C)C2)nc2c1CCC(=O)N2CCc1ccc(F)cc1 19739426 QHPATNNHSBIPJP-LJQANCHMSA-N 438.547 3.808 0 40 IHAB Cc1nc([C@H]2CCCN(C(=O)COC(C)C)C2)nc2c1CCC(=O)N2CC1CCCCC1 19740328 NAYZZXXAQMUVCK-FQEVSTJZSA-N 442.604 3.776 0 40 IHAB COc1ccc(S(=O)(=O)NCCSc2ccc(Cl)cc2)cc1N1CCCC1=O 20107185 WSVRFNHOMBRWHZ-UHFFFAOYSA-N 440.974 3.546 0 40 IHAB CS(=O)(=O)N(CC(=O)NCCSc1ccccc1)c1cc(Cl)cc(Cl)c1 20237213 NGKVILUWJHHSLY-UHFFFAOYSA-N 433.382 3.668 0 40 IHAB CC[C@@H](CO)Nc1ncnc2c1sc1nc(N3CCCC3)c3c(c12)CC(C)(C)OC3 20463711 CBMUGDFCONDZCK-ZDUSSCGKSA-N 427.574 3.874 0 40 IHAB C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCCN(CC(=O)NC(C)(C)C)CC1 23247712 YXENYMQLCKITOR-HXUWFJFHSA-N 436.600 3.603 0 40 IHAB CSc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C)cc1C(=O)N1CCOCC1 26117296 SBSDIFBOQQIOAO-UHFFFAOYSA-N 440.974 3.644 0 40 IHAB O=C(OCC(=O)N1CCCCCCC1)[C@@H]1CCCC[C@H]1C(=O)N1CCc2ccccc21 27237088 BLZPQCCYJNFXKM-NHCUHLMSSA-N 426.557 3.718 0 40 IHAB CCOc1cc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)ccc1OCc1ccncc1 27606269 GAJZVXPFEXZCFQ-UHFFFAOYSA-N 445.519 3.658 0 40 IHAB CN(C)S(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2Oc2ccccc2)cc1 28207348 FZRQVEQARDBNPO-UHFFFAOYSA-N 426.494 3.747 0 40 IHAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)Nc2cccc(Cl)c2Cl)cc1 28209524 SQKAHWBWYPXNHE-HNNXBMFYSA-N 427.309 3.620 0 40 IHAB C[C@H](Oc1ccccc1F)C(=O)N(Cc1cccc2ccccc12)[C@@H]1CCS(=O)(=O)C1 28228557 BXDRPPSBTICQEX-FXAWDEMLSA-N 441.524 3.962 0 40 IHAB Cc1ccc(-c2cc(C(=O)NCCC3=CCCCC3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 33325511 LRIUSJMBDAYZAB-HXUWFJFHSA-N 427.570 3.838 0 40 IHAB O=C(Nc1cccnc1)c1ccc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)o1 35597473 AXUKXSDMWBSPHY-UHFFFAOYSA-N 427.360 3.626 0 40 IHAB CC(C)N(C(=O)C[S@@](=O)c1nnc(Cc2ccc(Cl)cc2)n1C)c1ccccc1 35683093 CLQQMCPQKZJAMO-LJAQVGFWSA-N 430.961 3.609 0 40 IHAB O=C(NCc1ccccc1)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCC2 35897650 YSXAHZNACLAKRF-OHQAAIJDSA-N 436.533 3.628 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC(=O)N(C)Cc2ccsc2)Cc2ccco2)cc1 40050830 WDNPBDQLVNCIBP-UHFFFAOYSA-N 448.566 3.589 0 40 IHAB COc1cc(C)c(C)cc1S(=O)(=O)NCC1CCN(C(=O)Oc2ccccc2)CC1 43957225 SGMYZOWWMWXCOR-UHFFFAOYSA-N 432.542 3.501 0 40 IHAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N1CCC[C@@H]1CN1C[C@@H](C)O[C@H](C)C1 48286319 LOHHOWLCEFWUJV-DBXWQHBBSA-N 449.599 3.532 0 40 IHAB C[C@H]1C[C@@H](C)CN(Cc2ccccc2CNC(=O)c2cccc(CS(C)(=O)=O)c2)C1 48340001 OLARBZWORBYQPL-KDURUIRLSA-N 428.598 3.639 0 40 IHAB Cc1ccc(Cn2c(=O)c3sccc3n(CC(=O)N(C)C3CCCCC3)c2=O)cc1C 57486116 TVGAMWXAHHKQCX-UHFFFAOYSA-N 439.581 3.681 0 40 IHAB COc1ccccc1NC(=O)Cn1c(=O)n(-c2cccc(Cl)c2)c(=O)c2sccc21 57491374 WPWBUQVMRIWBJM-UHFFFAOYSA-N 441.896 3.515 0 40 IHAB CN(CC1CC1)C[C@H]1CCN(CC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)C1 72308996 NVRMVWKLVWAEII-QUCCMNQESA-N 426.586 3.683 0 40 IHAB CN(C)c1ncc(CN2CC[C@@H](c3cc(CCOc4ccccc4Cl)n[nH]3)C2)cn1 72371490 ZSLKTMZKTNDKHY-QGZVFWFLSA-N 426.952 3.530 0 40 IHAB CCN1CC[C@@]2(CN(CC(C)C)CC23CCN(C(=O)Nc2ccc(F)cc2)CC3)C1=O 96144342 JAHQATZSWRUGLH-XMMPIXPASA-N 430.568 3.650 0 40 IHAB COc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)NCCCn4ccnc4)c3N2)cc1 100594832 VNWPAHHRXQZSNJ-QZTJIDSGSA-N 448.449 3.569 0 40 IHAB COc1ccc([C@@H]2c3c(ncn(CCO)c3=N)Oc3ccc4ccccc4c32)cc1OC 101156595 OQZBCECPWQXDRU-NRFANRHFSA-N 429.476 3.811 0 40 IHAB CCN1C(=O)[C@H](NC(=O)c2cccc(I)c2C)c2cc(C)ccc21 102093969 RWVUFDLJYJOLSO-QGZVFWFLSA-N 434.277 3.746 0 40 IHAB CC1([C@H]2CC[C@H]3[C@@H]4CC[C@H]5CC6(CC[C@]5(C)[C@H]4[C@@H]4C[C@@]32C(=O)O4)OCCO6)OCCO1 118918190 SPCOYRJFXKKGPF-JEIBASMESA-N 432.557 3.667 0 40 IHAB CC(C)(C)OC(=O)N[C@@]1(CN)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 218059087 WAPZTEYKJAHIHL-BBTUJRGHSA-N 436.961 3.502 0 40 IHAB Cc1cccc(CCCNC(=O)[C@@H](C)N(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1 220201273 FUCKUEBTVHKUHW-MRXNPFEDSA-N 442.503 3.917 0 40 IHAB CC(C)Oc1ccc(N(CC(=O)NCc2ccc3ccccc3c2)S(C)(=O)=O)cc1 222790945 WKAZCNDEBAGJOQ-UHFFFAOYSA-N 426.538 3.709 0 40 IHAB CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN1C(=O)c2cccc3cccc1c23 222990486 GJLVDYSGWHSQRF-OAQYLSRUSA-N 429.520 3.662 0 40 IHAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CCc1ccc(OC)c(OC)c1 225715993 DATDRBRQPLRZNK-NRFANRHFSA-N 426.557 3.968 0 40 IHAB C[C@@H]1C[C@H]1C(=O)N1CCC(c2cc3nc4c(c(O)n3n2)CN(C[C@@H]2CC=CCC2)CC4)CC1 253590920 HKGCNPDTZSDSCW-QWFCFKBJSA-N 449.599 3.511 0 40 IHAB CNc1cc([C@@H]2CCCN2C(=O)C2(C)CCN(C(=O)Cc3ccc(F)cc3)CC2)ccn1 257199856 ABBCSDZIXVCCRZ-NRFANRHFSA-N 438.547 3.797 0 40 IHAB Cc1ccc(C(=O)N2CC[C@H](c3cc4nc(C)c(CCC(=O)NC(C)C)c(C)n4n3)C2)cc1 257208113 BKVIEYNXZSGFCA-NRFANRHFSA-N 447.583 3.741 0 40 IHAB C[C@@H](NC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl)c1ccccc1 408584668 SSMRCLPQJGEZSY-OAHLLOKOSA-N 436.961 3.817 0 40 IHAB CCOC(=O)c1cccc(NC(=O)Cn2nc(COc3ccc(C)cc3)oc2=S)c1 409159052 YYXADMWZVAPGIH-UHFFFAOYSA-N 427.482 3.908 0 40 IHAB O=C(NCCc1ccccc1)c1ccc(NC(=O)N2CC[C@H](n3cc(Cl)cn3)C2)cc1 576388600 SERKSHKTGPTFGJ-NRFANRHFSA-N 437.931 3.988 0 40 IHAB CC(C)C(=O)N1CCCCCCCNCc2cc(C(=O)NCCN3CCCC3)ccc21 643584017 ROWLMMWMUMKYPW-UHFFFAOYSA-N 428.621 3.555 0 40 IHAB COc1ccc(OCC(=O)Nc2ccc(N3CCN(C(=O)C(C)C)CC3)c(Cl)c2)cc1 806973 NWROWGUHBUXGQI-UHFFFAOYSA-N 445.947 3.671 0 40 IHAB NC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccccc2)cc1 3270510 CFAWBPRSWMZCFO-UHFFFAOYSA-N 447.495 3.903 0 40 IHAB CCOc1ccc(NC(=O)CN(C)C(=O)c2ccccc2Br)cc1OCC 3358358 WBVMTNLORMWCSC-UHFFFAOYSA-N 435.318 3.957 0 40 IHAB Cc1onc(-c2ccccc2)c1C(=O)OCc1cc(=O)n2cc(Br)ccc2n1 3512878 CVEWZSPOUSFSLB-UHFFFAOYSA-N 440.253 3.777 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)c2cccc(N(C)S(=O)(=O)c3ccc(C)cc3)c2)cc1 3845797 PDOGPWUVNDOMEZ-UHFFFAOYSA-N 444.578 3.954 0 40 IHAB biogenic Cc1cc(O[C@H](C)C(=O)NC2CC(C)(C)NC(C)(C)C2)c2c3c(c(=O)oc2c1)CCC3 5246189 RWWMFOMLJZFXKP-OAHLLOKOSA-N 426.557 3.783 0 40 IHAB CCOCCn1/c(=N/C(=O)c2ccc3c(c2)OCCO3)sc2cc(OCC)ccc21 8598864 YIVLGQKVCQFWGG-FCQUAONHSA-N 428.510 3.650 0 40 IHAB Cc1cc(C)nc(SCc2cc(=O)c(OC(=O)c3ccc(Br)o3)co2)n1 8683882 NKTZTQXAXSFVDT-UHFFFAOYSA-N 437.271 3.914 0 40 IHAB Cc1nn(-c2ccc(C(=O)OCC(=O)Nc3ccc4c(c3)OCCO4)cc2)c(C)c1Cl 8862192 UUYVLQGSMIFMNY-UHFFFAOYSA-N 441.871 3.709 0 40 IHAB COc1ccccc1C[C@]1(C)NC(=O)N(CC(=O)N[C@@H](C)c2cccc3ccccc23)C1=O 8880687 IJXBQRVHGXOTPS-QLXKLKPCSA-N 445.519 3.579 0 40 IHAB Cc1cccc(OCc2nnc(SCC(=O)N3c4ccccc4NC(=O)C[C@H]3C)o2)c1 8902089 FSRSUBOHLIVGAZ-OAHLLOKOSA-N 438.509 3.813 0 40 IHAB CN(Cc1ccco1)S(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)OCCCO3)c1 9125520 COPDAINEJILZAC-UHFFFAOYSA-N 442.493 3.514 0 40 IHAB COc1ccc(S(=O)(=O)[C@H](CNC(=O)COc2ccccc2F)c2cccs2)cc1 9569332 OCMUDDKUUNQYNG-HXUWFJFHSA-N 449.525 3.606 0 40 IHAB O=S(=O)(NC[C@@H](c1cccs1)N1CCc2ccccc21)c1ccc2c(c1)OCCO2 9708264 KVDIXZXBWHDJRE-IBGZPJMESA-N 442.562 3.602 0 40 IHAB Cc1cc(C(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)c(C)n1Cc1ccc2c(c1)OCO2 9781380 WYMOPZXHDNQWQZ-UHFFFAOYSA-N 449.438 3.721 0 40 IHAB Cc1ccc(-c2nc(CN3C(=O)N[C@@](C)(c4ccc5c(c4)OCCO5)C3=O)cs2)cc1 9782058 BFDUPXZTMFKQEF-QHCPKHFHSA-N 435.505 3.857 0 40 IHAB COc1cc(NC(=O)[C@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)c(OC)cc1Cl 10338477 ADTWSILBSBGBKR-AWEZNQCLSA-N 440.949 3.767 0 40 IHAB Cc1cccc2sc(N(C[C@@H]3CCCO3)C(=O)Cc3ccc(S(C)(=O)=O)cc3)nc12 10889848 UYWGVUHYODDDFH-KRWDZBQOSA-N 444.578 3.763 0 40 IHAB CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3 11865684 IDIPKFXULBZFMS-IBGZPJMESA-N 443.858 3.727 0 40 IHAB CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3 11865685 IDIPKFXULBZFMS-LJQANCHMSA-N 443.858 3.727 0 40 IHAB Cc1cc(C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)Cn4nc(C)c(C)c4C)C3)cc2n1 12257711 GBKGBDAWBWAYLR-MRXNPFEDSA-N 434.466 3.584 0 40 IHAB COC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@@H]1c1ccc(F)c(F)c1 12523221 JUQYPVHPXNQOAE-LJQANCHMSA-N 432.448 3.619 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)c2ccc(C)nc2)c1 12527458 VORZDGLXRVYMAQ-UHFFFAOYSA-N 430.574 3.663 0 40 IHAB Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2ccccc2SCC(N)=O)c1 12547469 KELDMIDTGAOFSH-UHFFFAOYSA-N 426.567 3.797 0 40 IHAB CCOc1cc(C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)cc(Br)c1OC 12974083 PCEDKNCTIPGTSR-ZDUSSCGKSA-N 445.317 3.928 0 40 IHAB O=C(CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1)c1ccc2[nH]c(=O)oc2c1 13029698 YPPQKGWWIUGKBO-CYBMUJFWSA-N 442.522 3.595 0 40 IHAB Cc1ccc(C)c(NC(=O)[C@@H](OC(=O)CCCCCNS(C)(=O)=O)c2ccccc2)c1 13037796 XLMRKUPXKISFIZ-QFIPXVFZSA-N 446.569 3.636 0 40 IHAB COCCCn1c(C)cc(C(=O)CSc2nnc(-c3ccc(OC)cc3)n2C)c1C 13113517 IJKMGPIPUUQRIM-UHFFFAOYSA-N 428.558 3.921 0 40 IHAB O=C(COC(=O)Cc1csc(-c2cccc(Cl)c2)n1)Nc1ccc2c(c1)OCO2 13130647 MTQAHWWUKUVPQL-UHFFFAOYSA-N 430.869 3.917 0 40 IHAB O=C(COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1Cl)NCc1ccco1 13566400 KZTAFDBZSADYCQ-UHFFFAOYSA-N 438.864 3.568 0 40 IHAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2Cl)C1 13580651 XWSFKNSYBVFRGT-ZDUSSCGKSA-N 426.897 3.527 0 40 IHAB Cc1cccc(C)c1NC(=O)Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2ccccc21 13992366 FSAFHEGNVBXABJ-UHFFFAOYSA-N 431.467 3.606 0 40 IHAB COc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)/C=C/c2cn(Cc3ccccc3)nn2)cc1 14394928 HQEBXSHMCGOQKB-RBNVVWFDSA-N 448.523 3.547 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CSc2nccn2Cc2ccccc2OC)cc1 15825643 RYJRUXUGDAWGJX-UHFFFAOYSA-N 425.510 3.848 0 40 IHAB NC(=O)[C@H]1CCCCN1Cc1cc(Br)cc2c1O[C@H](c1ccccc1)OC2 16047073 OWILTCXTEWYWNM-WIYYLYMNSA-N 431.330 3.897 0 40 IHAB Cc1ccccc1N1C(=S)N(c2cccc(Br)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 16740625 YFFLHTQEMBOLBK-SJORKVTESA-N 437.384 3.535 0 40 IHAB Cc1ccc(-c2cc(-c3ccc(F)cc3)nn2CCNC(=O)CCn2cc(C)cn2)nc1 19216174 JKZKHXXOHIRLHE-UHFFFAOYSA-N 432.503 3.771 0 40 IHAB CCC(=O)N1CCCc2cc([C@H](O)CN3CCC(O)(c4ccccc4F)CC3)ccc21 19498876 WTBUUBFQOCYMHU-HSZRJFAPSA-N 426.532 3.532 0 40 IHAB CCN(CC)CC(=O)N1CCc2nc(-c3ccncc3)nc(Oc3ccc(F)cc3)c2C1 19526327 SLACIRZUMIUHBA-UHFFFAOYSA-N 435.503 3.697 0 40 IHAB Cc1sc2nc(C)n(C3CCN(C(=O)CCn4ncc5ccccc54)CC3)c(=O)c2c1C 19561186 OSMTUAFFLRLJFW-UHFFFAOYSA-N 449.580 3.987 0 40 IHAB Cc1cc(C)cc(O[C@H](C)C(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[nH]3)CC2)c1 19569686 ZVAINYSPAAAIMY-MRXNPFEDSA-N 438.553 3.684 0 40 IHAB CCOC(=O)[C@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@@H]1c1ccncc1 19820809 PQFCZTYXAQMNAN-DHIUTWEWSA-N 440.503 3.789 0 40 IHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H](C)Sc1ccc(OC)c(OC)c1 20107855 PLIRADIOVKRLQR-GFCCVEGCSA-N 435.498 3.627 0 40 IHAB CN(C(=O)c1ccc(CN(c2ccccc2F)S(=O)(=O)N(C)C)cc1)C1CCCC1 20110325 GMKVKIHXUNDJNS-UHFFFAOYSA-N 433.549 3.653 0 40 IHAB COc1ccc(CCC(=O)O[C@@H](C)C(=O)Nc2ncc(Cl)cc2Cl)cc1OC 23645455 NMJORXAFOGEFPI-NSHDSACASA-N 427.284 3.909 0 40 IHAB Cc1ccc(-c2nnc(S)n2CC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 24830020 OWPCMMCKPWKTMO-UHFFFAOYSA-N 441.988 3.853 0 40 IHAB CCOC(=O)C1=C(CN(C)CCOc2cccc(Cl)c2)NC(=O)N[C@H]1c1cccs1 27373616 UBLHHFFHCZTMST-IBGZPJMESA-N 449.960 3.583 0 40 IHAB CCCCc1noc([C@@H](C)Sc2nnc(N3CCOCC3)n2-c2cccc(F)c2)n1 27813007 KOYGEJLKFUWXNN-CQSZACIVSA-N 432.525 3.822 0 40 IHAB COc1ccc(CN2CCCN(C(=O)/C=C/c3ccc(N4CCCC4=O)cc3)CC2)cc1 27915328 DNXXMPRDFCNSKE-NTEUORMPSA-N 433.552 3.570 0 40 IHAB COc1ccc([C@H](C)NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 30866001 LECPAZFXZRRUJC-LBPRGKRZSA-N 431.341 3.645 0 40 IHAB Cc1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)c(C)s1 32532521 FYALZEFQZJPOGI-ZDUSSCGKSA-N 428.601 3.586 0 40 IHAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 32883725 FWGCWCPXXTYRIS-UHFFFAOYSA-N 435.571 3.833 0 40 IHAB Cc1ccc(OCC(=O)Nc2ccccc2OCc2cc(=O)n3cccc(C)c3n2)cc1 33067843 NWEWACSUGKMQDF-UHFFFAOYSA-N 429.476 3.908 0 40 IHAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)c1 39768379 RUFWDSJRYHFAHJ-UHFFFAOYSA-N 444.915 3.764 0 40 IHAB Cc1ccc(S(N)(=O)=O)cc1C(=O)NCc1ccc(-c2ccc(Br)cc2)o1 40024977 GJDZEQLLNFWNTB-UHFFFAOYSA-N 449.326 3.595 0 40 IHAB COC(=O)[C@@H](CC(C)C)NC(=O)c1nc(SCc2ccc(F)cc2)ncc1Cl 41097966 KXGSRTPKDUFEGG-OAHLLOKOSA-N 425.913 3.879 0 40 IHAB Cc1nc(COc2ccccc2C(=O)N[C@@H]2CC3(CCN(C)CC3)Oc3ccccc32)no1 48299964 AOBQMRCTRRSNMP-HXUWFJFHSA-N 448.523 3.675 0 40 IHAB O=C(NCc1ccc2c(c1)OCO2)C1CCN(c2cc(Oc3ccccc3)ncn2)CC1 49401823 YGMKGMKNRUTKRG-UHFFFAOYSA-N 432.480 3.530 0 40 IHAB COc1cccc(Cn2c(=O)c3sccc3n(CC(=O)Nc3cc(C)ccc3C)c2=O)c1 57426853 VZJUIWOPLYMLHJ-UHFFFAOYSA-N 449.532 3.537 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCOc3ccccc3C)cc2)cc1 59823611 UHQWIFIZEQMQKG-UHFFFAOYSA-N 438.549 3.937 0 40 IHAB Cc1ccccc1Cn1ccc2ccn(CC(=O)Nc3ccc4c(c3)OCCO4)c(=O)c21 62007358 DZRSCWLMZARXTC-UHFFFAOYSA-N 429.476 3.570 0 40 IHAB CCOc1ccc(-n2ccn3c(SCC(=O)c4cccc(Cl)c4)nnc3c2=O)cc1 64593819 ACYQVOOEOMRCRT-UHFFFAOYSA-N 440.912 3.907 0 40 IHAB CCOc1ccccc1S(=O)(=O)N1CCc2nc(NC(=O)c3cccs3)sc2C1 70638694 RPOIQORCOFXDOT-UHFFFAOYSA-N 449.579 3.603 0 40 IHAB COc1ccc2c(c1)N[C@]1(COC3(CCN(Cc4cn(C)nc4C)CC3)C1)c1cccn1-2 72327214 QUAGNVVIBFBGIR-RUZDIDTESA-N 433.556 3.604 0 40 IHAB CN1CCN(Cc2ccc(-c3c[nH]nc3[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2)CC1 72360814 MXCFYXRVLCZHJJ-OAQYLSRUSA-N 439.604 3.939 0 40 IHAB CS(=O)(=O)Nc1ccccc1C(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 78610328 JAOUKTJARXAJCX-QGZVFWFLSA-N 447.315 3.718 0 40 IHAB O=C(NCc1ncc(-c2ccccc2)o1)[C@H]1CCN(c2ccccc2Br)C1=O 84563025 YDYNAXIQZRYHIC-OAHLLOKOSA-N 440.297 3.773 0 40 IHAB Cc1cc(C)cc(NC(=O)CCc2nc(CSc3nnc(-c4ccncc4)o3)no2)c1 95481963 ZJQATNCVNVBTET-UHFFFAOYSA-N 436.497 3.995 0 40 IHAB COc1ccc(CN2CCC3(CC2)C[C@H](CC(=O)N2CCOCC2)c2ccccc23)cc1 96052813 PGMAHOYYWOEMCD-QFIPXVFZSA-N 434.580 3.965 0 40 IHAB CC(=O)Nc1sc2c(c1[C@H](c1ccccc1Cl)N1CCN(CCO)CC1)CCCC2 96300455 RPYVUYHYRPFSGD-QFIPXVFZSA-N 448.032 3.938 0 40 IHAB CNc1cc(C2CCN(C(=O)[C@H]3CC[C@H](OC)CC3)CC2)nc(-c2cnc(C)s2)n1 100732918 AHNXGPGBASSWNL-CALCHBBNSA-N 429.590 3.861 0 40 IHAB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)c2C(N)=O)C1 102174454 OWBPKVGELVDMPW-HNKZQRQQSA-N 430.570 3.850 0 40 IHAB C[C@H](SC(=S)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(=O)Nc1ccccc1Cl 113480521 ZAXUJUWHEXELPG-KKUMJFAQSA-N 448.013 3.966 0 40 IHAB COc1cccc(-c2noc(CN(C)C(=O)C3CCN(Cc4cccc(C)c4)CC3)n2)c1 219407334 BKMULAVYNZWXJV-UHFFFAOYSA-N 434.540 3.924 0 40 IHAB CSc1cccc(N(CC(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)S(C)(=O)=O)c1 220075362 VZFYSXZKTWOTER-LJQANCHMSA-N 448.610 3.902 0 40 IHAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1ccc(OC)cc1 222531476 FLAYTWMBJQXOOE-XMMPIXPASA-N 434.511 3.763 0 40 IHAB O=C(NCCCc1ccccc1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 222619429 CPXXPVFKBPNXDV-HXUWFJFHSA-N 434.989 3.631 0 40 IHAB CCc1ccc(N(CCCC(=O)NCCCc2ccc(OC)cc2)S(C)(=O)=O)cc1 222647007 KFYMQCBMTLCSKD-UHFFFAOYSA-N 432.586 3.553 0 40 IHAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3cc(-c4ccccc4C)[nH]n3)c(Cl)cc21 223367734 ZTKDKYNGHGYAKM-UHFFFAOYSA-N 432.889 3.767 0 40 IHAB Cc1ccccc1OCCNC(=O)[C@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 224014824 CSLBXZFMAPKBEC-AWEZNQCLSA-N 445.368 3.652 0 40 IHAB Cc1ccc(OCCNC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(F)cc3)c2)cc1 224177584 OJNPQQXXTWDZFW-UHFFFAOYSA-N 442.512 3.768 0 40 IHAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc2c(c1)OCO2 224348566 BXNKQWBSUWXBPK-LJQANCHMSA-N 430.932 3.945 0 40 IHAB COc1ccccc1[C@@H](C)NC(=O)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 224519810 YLQIHNRLCROZGJ-LJQANCHMSA-N 444.597 3.547 0 40 IHAB O=C(c1ccnc(O[C@H]2CCSC2)c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 225721850 UIAAWYWWFCTWEF-SFHVURJKSA-N 437.487 3.947 0 40 IHAB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H]4C=C[C@@H](CC4)[C@@H]3C(=O)O)c2C(N)=O)C1 225756281 WMSULPLDRZCYDX-PJSWFKRJSA-N 430.570 3.850 0 40 IHAB Cc1nc(CC(=O)N2CCO[C@@H](c3cc(CCOc4cccc(Cl)c4)[nH]n3)C2)cs1 257222727 DULQSJIZJAVVDF-HXUWFJFHSA-N 446.960 3.592 0 40 IHAB CC(C)(O)[C@@H]1CC[C@@]2(C)OCC3(CCN(C(=O)CCc4ccc(F)cc4)CC3)C[C@@H]2O1 257222908 DVCVIBZUGYQQFF-AWRGLXIESA-N 433.564 3.865 0 40 IHAB CC(C)Cc1nc2ccccc2n1CC(=O)N1CC[C@H](c2n[nH]cc2-c2ccnc(N)c2)C1 257268144 MKKQDGLJMHVIAL-SFHVURJKSA-N 443.555 3.618 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc(SC)c3)C2)cc1 408557020 FSLQWYGTGVEZDM-MRXNPFEDSA-N 434.583 3.847 0 40 IHAB O=C(O)CC[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2cccc(Br)c2)CC1 408611584 UBMKIDMTIIAIGO-IBGZPJMESA-N 449.320 3.952 0 40 IHAB Cc1cc(C)cc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H](C)C=CC[C@H]4C3=O)cc2)c1 408665760 QFDMQLKDDQWWPI-OAOOKAIFSA-N 446.503 3.801 0 40 IHAB CCn1c(CNC(=O)c2ccccc2C)nn(CC(=O)N[C@H](C)c2ccccc2)c1=S 409150994 FUEMYQOFNDIMKX-QGZVFWFLSA-N 437.569 3.550 0 40 IHAB Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3N3CCOCC3)C2=O)s1 409218230 ZLYYCHWUHWPWLK-LDADJPATSA-N 443.550 3.568 0 40 IHAB CCOCCCNC(=O)CN(Cc1ccc(C)cc1)S(=O)(=O)c1c(C)cc(C)cc1C 409367290 QGXJAIMNHVWJIK-UHFFFAOYSA-N 446.613 3.654 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(F)cc3)C2)cc1Cl 409393844 YQHRRYHWSFDZFR-CYBMUJFWSA-N 426.897 3.527 0 40 IHAB O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 556826226 SOOZAQFLUOXIQJ-QRVBRYPASA-N 427.444 3.778 0 40 IHAB OC[C@H]1[C@H](O)C[C@@H](NC2CCCC2)[C@@H]1Cc1ccnc(-c2cccc(C(F)(F)F)c2)n1 604382222 LLCJOXCAWZSRIQ-XRXFAXGQSA-N 435.490 3.595 0 40 IHAB biogenic,in-vitro CC(=O)N1CCCCCCCN(C(C)C)Cc2cc(C(=O)N3CCC[C@H]3CO)ccc21 643576346 XWDYQTVEGNDSSF-QHCPKHFHSA-N 429.605 3.811 0 40 IHAB O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)N[C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 680114304 OOXFHIVKHNGQML-IFPZXYOKSA-N 446.595 3.671 0 40 IHAB C[C@]1(C2CCN(Cc3ccc(OCC(=O)O)cc3)CC2)CN(Cc2ccccc2)C(=O)O1 1848356903 OXBFMRLQSGYGKS-RUZDIDTESA-N 438.524 3.773 0 40 IHAB Cc1ccc(C(=O)COC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)cc1 670060 KKRMLYLCRBDMJR-JOCHJYFZSA-N 427.456 3.628 0 40 IHAB Cc1ccc(OCC(=O)Nc2sc3c(c2C(=O)NC[C@@H]2CCCO2)CCC3)cc1C 1100663 RQEFXUFWQXZVSR-KRWDZBQOSA-N 428.554 3.780 0 40 IHAB CCOC(=O)c1ccc(-n2c(N)c(C(=O)O[C@H](C)COC)c3nc4ccccc4nc32)cc1 2358794 BELJFQVCIUCGAZ-CQSZACIVSA-N 448.479 3.524 0 40 IHAB O=C(CC[C@@H]1N=C2c3ccccc3NC(=S)N2C1=O)N1CCC(Cc2ccccc2)CC1 2965572 BXJOEYHUCFSBKF-NRFANRHFSA-N 446.576 3.616 0 40 IHAB CCCCCn1c(=O)[nH]c2cc(C(=O)N3CCC(Cc4ccccc4)CC3)ccc2c1=O 4791272 XHXJWALSAAJJKZ-UHFFFAOYSA-N 433.552 3.975 0 40 IHAB CCOC(=O)c1c(NC(=O)CS(=O)(=O)c2ccc(C)cc2)sc2c1CCCCC2 8601634 OHZLBSNQPPMYJA-UHFFFAOYSA-N 435.567 3.915 0 40 IHAB CCCn1c(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs/c1=N\c1ccccc1 8628426 BWGBIVCFLYGZQX-FCQUAONHSA-N 443.594 3.880 0 40 IHAB O=C(Nc1ccc(Br)cc1F)c1ccc(N2CCCCS2(=O)=O)cc1 8768766 ZUFTUVBRBRTPHY-UHFFFAOYSA-N 427.295 3.771 0 40 IHAB CC1(C)CCc2c(cc(OCC(=O)NCc3ccncc3)c3c4c(c(=O)oc23)CCCC4)O1 8792052 AGUBVVFYACPNDC-UHFFFAOYSA-N 448.519 3.866 0 40 IHAB biogenic Cc1ccc2c(=O)cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc3)oc2c1 8916287 BOPLZPGHVZDQMF-INIZCTEOSA-N 440.521 3.917 0 40 IHAB CCc1ccc(-c2csc(NC(=O)CN3C(=O)N[C@]4(CCCC[C@H]4C)C3=O)n2)cc1 9056579 IUZOLDYVCFPWKG-PEBXRYMYSA-N 426.542 3.812 0 40 IHAB CCOC(=O)c1oc2ccccc2c1COC(=O)/C(=C/c1ccccc1)n1nnnc1C 9464503 OYKUSVDVZZRXAR-UYRXBGFRSA-N 432.436 3.646 0 40 IHAB Cc1ccc(Cn2nc(C)c(/C=C/C(=O)OCC(=O)N3CCc4ccccc4C3)c2C)cc1 9465849 LHKAFSRXGQMNDG-OUKQBFOZSA-N 443.547 3.998 0 40 IHAB Cc1ccccc1Cn1c(=O)c2c(nc3n2C[C@H](C)CN3c2cccc(Cl)c2)n(C)c1=O 9519247 MVAWVWOFXLSFQD-OAHLLOKOSA-N 449.942 3.695 0 40 IHAB CCNC(=O)NC(=O)[C@@H](C)Sc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1 9570736 PZAZHSHYCYWTOP-CQSZACIVSA-N 443.960 3.838 0 40 IHAB Cc1cc(NC(=O)c2c(F)cccc2F)n(-c2ncnc3c2cnn3-c2ccc(F)cc2)n1 9661208 CYMKFYTWKISMPC-UHFFFAOYSA-N 449.396 3.979 0 40 IHAB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1ccccc1I 9709696 ZPESRFKODOOEPY-UHFFFAOYSA-N 431.237 3.532 0 40 IHAB Cc1ccc(S(=O)(=O)NC[C@H](c2ccco2)S(=O)(=O)c2ccc(Cl)cc2)cc1 9740748 MUPSIJLTDNELBG-LJQANCHMSA-N 439.942 3.735 0 40 IHAB O=C(CSc1ccc2ccccc2n1)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 9793507 GUOXXTLAYNPXGS-IBGZPJMESA-N 426.563 3.543 0 40 IHAB O=C(CSc1nnc(NCc2ccccc2)s1)Nc1ccccc1C(=O)NC1CC1 9816427 WUEHHSCRIWDWEL-UHFFFAOYSA-N 439.566 3.773 0 40 IHAB O=C1N[C@@H](c2ccc(C(F)(F)F)cc2)[C@@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1 9833233 UIUBIZQIHWQRLB-SLEUVZQESA-N 438.349 3.871 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(Nc3cccc(Br)c3)CC2)cc1 10060497 RTTMRXBVWMRPGQ-UHFFFAOYSA-N 425.348 3.723 0 40 IHAB C[C@@H](OC(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 10239839 UGQKBWLNPABROJ-SNVBAGLBSA-N 427.787 3.897 0 40 IHAB Oc1nnc(-c2ccc(Cl)cc2Cl)c2c1Nc1nnnn1[C@H]2c1cccc(F)c1 10298192 QNDKWSDEUDNYTH-INIZCTEOSA-N 430.230 3.976 0 40 IHAB O=C(CCc1ccc2c(c1)OCO2)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1 10662073 WKWLWQHKIYOWOO-UHFFFAOYSA-N 437.521 3.947 0 40 IHAB CC1CCN(c2nnc(SCC(=O)N[C@@H]3CCCC[C@H]3C)n2Cc2ccco2)CC1 11374061 AEPXPYMHCCPGDD-IEBWSBKVSA-N 431.606 3.943 0 40 IHAB COc1ccc(C(=O)COC(=O)c2cc(Cl)c(N)cc2OC)cc1Br 11457261 DZGJTOBWQQZEKZ-UHFFFAOYSA-N 428.666 3.742 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CNc2cc(Cl)ccc2F)c1 11723771 ZOIBRNZVMUECJJ-UHFFFAOYSA-N 427.929 3.869 0 40 IHAB CCOc1cc([C@@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2CCCOC)ccc1O 11914912 MXCNQTZATOTCCI-HSZRJFAPSA-N 437.496 3.777 0 40 IHAB C[C@@H]1Cc2cc(CC(=O)N[C@H]3CC(C)(C)Cc4nc(-c5cnccn5)ncc43)ccc2O1 12241334 MYBLTUFPOICBFS-BEFAXECRSA-N 429.524 3.629 0 40 IHAB CN(Cc1ccsc1)C(=O)CSc1nc(O)c2cnn(-c3cccc(Cl)c3)c2n1 12742778 VFPOLJPLUKHEBL-UHFFFAOYSA-N 445.957 3.987 0 40 IHAB CCCN(Cc1ccc(C)cc1)C(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1 12814650 MELMHKBGRAQTQW-UHFFFAOYSA-N 432.561 3.974 0 40 IHAB COc1cc(CC(=O)Nc2ccc(N3CCc4sccc4C3)nc2)cc(OC)c1OC 12910447 HCAXJXLRSWKTMG-UHFFFAOYSA-N 439.537 3.913 0 40 IHAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccc(C(=O)O)o3)cc2)C1=O 13564663 LXABIPNZIULMDV-YXHQGMJNSA-N 445.449 3.545 0 40 IHAB Cn1c(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)nnc1SCc1ccccc1 13565265 JMYOLFFFHMRZNS-UHFFFAOYSA-N 442.488 3.605 0 40 IHAB CCOC(=O)c1sc(NC(=O)CN2CCCCC2)c(C(=O)Nc2ccccc2)c1C 14152836 RVEPWYGTCLDOBN-UHFFFAOYSA-N 429.542 3.910 0 40 IHAB COc1ccc(Br)cc1S(=O)(=O)N(C)Cc1ccccc1N1CCCC1 15364002 SJJHEMZBSZIVAI-UHFFFAOYSA-N 439.375 3.879 0 40 IHAB O=C(Nc1nc2c(s1)CCCC2)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1 17170253 GKHSZPXJKZQUPX-LBPRGKRZSA-N 446.019 3.919 0 40 IHAB O=C(CCN1C(=O)c2ccc(Br)cc2C1=O)NCCCSc1ccccc1 18083232 NMXGLADIYKNHKF-UHFFFAOYSA-N 447.354 3.734 0 40 IHAB O=C(C[C@@H]1C=CCC1)N1CCC(c2cc3nc4c(c(O)n3n2)CN(C2CCCC2)CC4)CC1 19292143 OEYKVSHIONPAMC-GOSISDBHSA-N 449.599 3.798 0 40 IHAB Fc1ccc([C@H]2N=C3NCN(CCc4ccccc4)CN3c3nc4ccccc4n32)cc1 19320928 PWPNBYQDZLLXGS-QHCPKHFHSA-N 426.499 3.961 0 40 IHAB O=C(Cn1ccnc1)N1CC[C@H](c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)C1 19344210 HKRHGVWDNSQMDG-ZDUSSCGKSA-N 446.458 3.689 0 40 IHAB CNC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CCN(Cc2ccc(OC)c(OC)c2)C1 19591686 VRRPYFABBYBMOG-HHHXNRCGSA-N 445.563 3.947 0 40 IHAB CNc1cc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(OC)nc2)nc(C2CC2)n1 19592115 UWNQDISOMUWYCA-HXUWFJFHSA-N 442.523 3.994 0 40 IHAB COc1ccc(CN2CCO[C@H](c3c(C(=O)N(C)C)sc4ncccc34)C2)cc1OC 19703967 SLRGBWCLGHFRDX-IBGZPJMESA-N 441.553 3.589 0 40 IHAB Cc1nc([C@@H]2CCCCN2C(=O)c2snnc2C)ncc1C(=O)Nc1ccc(F)cc1 19765105 ALCNMTWYUPDEAT-KRWDZBQOSA-N 440.504 3.704 0 40 IHAB Cc1ccc(CSCCNC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1 20237419 BYXLGPHBXRANMY-UHFFFAOYSA-N 441.018 3.772 0 40 IHAB O=C(CSc1nc(=O)n(Cc2ccncc2)c2c1CCC2)Nc1nc2ccccc2s1 21114411 NVLNNODSXZZUBR-UHFFFAOYSA-N 449.561 3.516 0 40 IHAB CC(C)Cn1c(CCC(N)=O)nnc1SCc1csc(COc2ccc(F)cc2)n1 21622889 KTPUXVVPBSWBJD-UHFFFAOYSA-N 449.577 3.819 0 40 IHAB C[C@H](C(=O)NC(=O)NC1CCCCC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 22802540 MXOVZBHKCPBCHH-OAQYLSRUSA-N 448.611 3.941 0 40 IHAB Cc1nc2sc([C@H](c3cccc(F)c3)N3CCN(Cc4ccccc4)CC3)c(O)n2n1 22852783 NKLNZTLMWKKUQC-FQEVSTJZSA-N 437.544 3.851 0 40 IHAB COC(=O)[C@H](c1ccccc1Cl)N1CCN(C(=O)CCNc2ccccc2C)CC1 24977174 RNPGGQDRECUOLZ-QFIPXVFZSA-N 429.948 3.509 0 40 IHAB CC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1 25110007 DWAZBURZRCMOBW-IBGZPJMESA-N 430.460 3.577 0 40 IHAB CS(=O)(=O)N1CCCc2cc(C(=O)CSc3nccn3-c3ccccc3)ccc21 26128102 SNUHNFICUQIUFW-UHFFFAOYSA-N 427.551 3.560 0 40 IHAB CC1CCN(c2nn(CN3CCc4ccccc4C3)c(=S)n2C[C@@H]2CCCO2)CC1 26551688 WBVWZVOYBGXDIN-NRFANRHFSA-N 427.618 3.845 0 40 IHAB O=C(c1cccc(OC(F)F)c1)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 27162430 VGPACXYXJGMBMC-UHFFFAOYSA-N 428.357 3.905 0 40 IHAB Cc1ccc(C(=O)NC(=S)Nc2ncc(I)cc2C)cc1C 32125171 ABYRBNKDMKPXPD-UHFFFAOYSA-N 425.295 3.738 0 40 IHAB CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@H]3c3ccc[nH]3)CC2)cc1 32911547 LAKKLWPQABCYKN-JOCHJYFZSA-N 429.586 3.903 0 40 IHAB CC(C)c1ccc(OCc2nnc(SCC(=O)Nc3ccc(C(=O)O)cc3)n2C)cc1 33732219 RXJLCSHJJAAZBA-UHFFFAOYSA-N 440.525 3.947 0 40 IHAB CN1CCC2(CC1)N=C(SCC(=O)Nc1ccc(F)c(F)c1)C(c1ccccc1)=N2 35372720 YSJMZYUTQDSWME-UHFFFAOYSA-N 428.508 3.960 0 40 IHAB O=C(NCc1ccncc1)c1cc2cc(Br)cc(Br)c2oc1=O 36627487 VCWSROKTCLSREZ-UHFFFAOYSA-N 438.075 3.643 0 40 IHAB Cc1ccc(NC(=O)Cn2c(=O)n(-c3ccc(F)cc3C)c(=O)c3sccc32)cc1F 57493460 VPCHFYXSRYQGDE-UHFFFAOYSA-N 441.459 3.748 0 40 IHAB CCS(=O)(=O)Nc1ccc(NC(=O)[C@@H]2CCCCN2Cc2ccc(F)cc2)cc1C 72310083 GDHWMLMYOYSZRU-NRFANRHFSA-N 433.549 3.889 0 40 IHAB CN1CCN(C(=O)c2ccc3c(c2)ncn3C)[C@H](Cc2cccc(-c3cccs3)c2)C1=O 72351770 JXENBZSAGVYDMB-JOCHJYFZSA-N 444.560 3.827 0 40 IHAB CCC(=O)N[C@H]1CN(Cc2c(C)nn(CC)c2C)C[C@@H]1c1cn(C)c2ccc(OC)cc12 72395727 YGHGVUIWEOHBOL-PKTZIBPZSA-N 437.588 3.514 0 40 IHAB NC(=O)C1CCN(c2ccccc2NS(=O)(=O)c2ccccc2-c2ccccc2)CC1 84562884 VIGMRMNJGXTNQR-UHFFFAOYSA-N 435.549 3.856 0 40 IHAB Cc1nn(C)c(Cl)c1S(=O)(=O)N(C)c1nc2c(s1)C[C@H](c1ccccc1)CC2 89512436 XSPSVVYIEOOWHL-CQSZACIVSA-N 436.990 3.936 0 40 IHAB CCC[C@@H](C)[C@@]1(CC)C(=O)N=C(SCC(=O)Nc2ccc3c(c2)OCCO3)N=C1O 95471899 RKQBPGVCDQERIW-CYBMUJFWSA-N 433.530 3.815 0 40 IHAB CCCOc1ccc(CN(CCC)C(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1OC 96437978 IJCABSHIDPGDTF-BGYRXZFFSA-N 444.572 3.788 0 40 IHAB COc1ccc(C(=O)N2CCN(c3cc(-c4ccc(Cl)cc4)n[nH]3)CC2)cc1OC 98211731 ZQPAIKFACHMGFM-UHFFFAOYSA-N 426.904 3.710 0 40 IHAB CCCC(=O)N1CCc2nc3cc(C4CCN(Cc5ccc(C)cc5)CC4)nn3c(O)c2C1 100243056 OQGZAGMVUZYTBR-UHFFFAOYSA-N 447.583 3.808 0 40 IHAB CC[C@H](NC(=O)[C@H](CC)N(c1cccc(OC)c1)S(C)(=O)=O)c1ccc(OC)cc1 220632308 VOXREMJEYDARDF-SFTDATJTSA-N 434.558 3.516 0 40 IHAB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(Br)cs1 223711391 UATOJRXRAYIORC-CVEARBPZSA-N 440.388 3.831 0 40 IHAB COc1cccc(CN(C(=O)COc2cc(C)cc(C)c2)[C@H](C)C(=O)NCC(C)C)c1 224441293 XFXCWOXRINRVBO-HXUWFJFHSA-N 426.557 3.880 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2cc(Cl)ccc2C)cc1Br 224882232 BVCGYWACIGWZPA-UHFFFAOYSA-N 448.722 3.699 0 40 IHAB COc1ccc(CNC(=S)Nc2nc(OC)cc(N3CCc4ccccc4C3)n2)cc1 225930042 NGWAULLWAWYVEH-UHFFFAOYSA-N 435.553 3.543 0 40 IHAB CC[C@@H](Oc1ccccc1F)C(=O)N1CCC(c2cncc(Nc3ncccn3)n2)CC1 257228295 FTIDTRALAXGUPA-LJQANCHMSA-N 436.491 3.713 0 40 IHAB CC(=O)NCc1ccc([C@@H]2CCCN2C(=O)C2(Cc3ccccc3F)CCOCC2)nc1 257279818 OIIAAHDOIKSTDY-QHCPKHFHSA-N 439.531 3.560 0 40 IHAB Cc1cc(Nc2cc(C[C@@H]3CCCN(C(=O)c4cccc(F)c4F)C3)nc(C)n2)[nH]n1 257321464 WBUKQQPJJDXNHS-HNNXBMFYSA-N 426.471 3.933 0 40 IHAB COc1cccc(N(CC(=O)NC[C@H](C)c2ccccc2)S(=O)(=O)c2ccccc2)c1 260795995 PWOHLMSXMQGIEF-IBGZPJMESA-N 438.549 3.810 0 40 IHAB COC(=O)c1ccccc1NC(=O)CSc1nnc(-c2cc(Cl)ccc2OC)o1 408637185 GTASBIZGNJZJMA-UHFFFAOYSA-N 433.873 3.916 0 40 IHAB CCOc1ccc2ccccc2c1/C=C1/NC(=O)N(CC(=O)Nc2ccccc2F)C1=O 409202673 SOMAYEMJCOJXSR-DEDYPNTBSA-N 433.439 3.909 0 40 IHAB O=C(c1cc2c(nc1O)CCCC2)N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn23)C1 517593210 VFWCBWYVFQSWNI-AWEZNQCLSA-N 445.445 3.747 0 40 IHAB O=C(CC1(CC(=O)NC[C@H]2Cc3ccccc3O2)CCCC1)NC[C@@H]1Cc2ccccc2O1 560841384 XGTRDCAFPIFCOZ-SZPZYZBQSA-N 448.563 3.567 0 40 IHAB CCN1CCN(C(=O)Cc2ccc(OC)cc2)[C@@H](Cc2cccc(-c3ccncc3)c2)C1=O 585169002 JBPCFKSZUZHZNF-VWLOTQADSA-N 443.547 3.602 0 40 IHAB O=C(CSc1nnc(COc2ccc(F)cc2)o1)Nc1ccc2c(c1)OC(F)(F)O2 3449124 AODCIDZYMZWYTG-UHFFFAOYSA-N 439.371 3.840 0 40 IHAB C[C@@H](Sc1nc2sc3c(c2c(=O)n1C)CCCC3)C(=O)N1CCc2ccccc21 3544855 FROXRWDLSIPMDV-CYBMUJFWSA-N 425.579 3.944 0 40 IHAB CCOC(=O)C1=C(C)N=C2S[C@H](CC)C(=O)N2[C@H]1c1ccc(OC(C)=O)c(OCC)c1 3636702 XVSHPUHKOCXVDA-MJGOQNOKSA-N 446.525 3.612 0 40 IHAB COc1ccc(-c2cc(C(=O)Nc3sc4c(c3C(N)=O)CC[C@H](C)C4)no2)cc1OC 4176453 VNCQZKANEWESMW-NSHDSACASA-N 441.509 3.896 0 40 IHAB Cn1c(=O)n(C)c2cc(S(=O)(=O)NC[C@H](c3ccccc3)C3CCCCC3)ccc21 4744118 KITASOGSRUSONG-HXUWFJFHSA-N 427.570 3.519 0 40 IHAB CCn1c(=O)c(=O)n(CC)c2cc(N3CCCCC3)c(NC(=O)c3cccc(F)c3)cc21 8594610 ZQXJGQJEWOIHSB-UHFFFAOYSA-N 438.503 3.585 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1cc(=O)c2ccccc2o1 8612279 VCOLOHCYZMRSQR-UHFFFAOYSA-N 426.494 3.610 0 40 IHAB COc1cc2c(cc1NC(=O)CCNS(=O)(=O)c1c(C)noc1C)oc1ccccc12 8736032 AAJBEQXMAXLRCZ-UHFFFAOYSA-N 443.481 3.507 0 40 IHAB CCN1CCc2c([nH]c3ccccc23)[C@H]1c1c(O)nc(O)n(-c2ccc(C)cc2C)c1=O 9046251 PPRKKUAVUTWWDK-JOCHJYFZSA-N 430.508 3.709 0 40 IHAB biogenic Cc1cc(=O)n2c(n1)NC(N1CCN(c3cccc(Cl)c3)CC1)=N[C@@H]2[C@@H]1CC=CCC1 9265070 MJMOEVWXINZNSO-UTKZUKDTSA-N 438.963 3.664 0 40 IHAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(c1ccccc1)c1ccccc1 9562958 ACKNPSCFUHSOAQ-UHFFFAOYSA-N 438.549 3.918 0 40 IHAB Cc1cc(Cl)ccc1OCC(=O)NC(=S)Nc1sc2c(c1C(N)=O)CCCC2 9668153 OGLCREQWACQTDB-UHFFFAOYSA-N 437.974 3.580 0 40 IHAB COc1cc(/C=C/C(=O)OCC(=O)Nc2nnc(-c3ccccc3)o2)cc(Cl)c1OC 9670231 UCGPQUDYGNXHSZ-CMDGGOBGSA-N 443.843 3.602 0 40 IHAB Cc1nc2cc(NC(=O)CCN3C(=O)NC4(CCCC4)C3=O)ccc2n1-c1ccccc1 9672230 QBUYSHAESWLICC-UHFFFAOYSA-N 431.496 3.527 0 40 IHAB CC(=O)c1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)cc1 9702756 NHMSCKKFBVRZKO-UHFFFAOYSA-N 448.475 3.613 0 40 IHAB COc1ccc(-c2cnc(SCCNC(=O)c3cc(OC)c(OC)c(OC)c3)[nH]2)cc1 9713666 REUQDYGPJDETFF-UHFFFAOYSA-N 443.525 3.633 0 40 IHAB Cc1cc(F)ccc1S(=O)(=O)NC[C@H](c1cccs1)S(=O)(=O)c1cccs1 9742676 DUGPCRNZJZEGBY-MRXNPFEDSA-N 445.584 3.751 0 40 IHAB CCOC(=O)CCCNC(=O)COC(=O)c1oc2ccccc2c1COc1ccccc1 9883736 IHSZOAFHRYQFAE-UHFFFAOYSA-N 439.464 3.628 0 40 IHAB Cc1c(C)n2c3c(=O)n(Cc4ccccc4F)c(=O)n(C)c3nc2n1[C@@H](C)c1ccccc1 10104168 PBRJMVUSWWMTIQ-KRWDZBQOSA-N 445.498 3.563 0 40 IHAB Cc1cccc(CNC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)c1 10447893 KMEVZJMZPYREBJ-UHFFFAOYSA-N 434.867 3.750 0 40 IHAB Cc1cc(NC(=O)CCCN(C)S(=O)(=O)c2ccc(F)cc2)ccc1N1CCCC1 11325827 DSZYUDFIOFDPSA-UHFFFAOYSA-N 433.549 3.774 0 40 IHAB COCCCn1c(SCC(=O)N[C@@H]2CCCC[C@@H]2C)nc2cc(Cl)ccc2c1=O 11528018 ZKSKRFYDORXBHK-WMLDXEAASA-N 437.993 3.873 0 40 IHAB Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)c3ccccc3I)cc12 11726467 DAOADTGQEFFJTN-UHFFFAOYSA-N 446.288 3.722 0 40 IHAB Cc1ccc(-c2noc(CCC(=O)N3CCCN(C)c4nc5ccccc5nc43)n2)cc1 12783112 BZGMWJNGASNFEK-UHFFFAOYSA-N 428.496 3.794 0 40 IHAB CCOc1cc2c(cc1NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)O[C@@H](C)C2 12802521 JACHXMRLZDGUHW-LBPRGKRZSA-N 438.933 3.565 0 40 IHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(NCCc2ccc3c(c2)OCO3)nc1 12911093 XUEJMXLOKQBYMG-UHFFFAOYSA-N 425.510 3.680 0 40 IHAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)COC(=O)c1ccc(O)cc1O 13114427 DXUSHAWTTBPIBR-UHFFFAOYSA-N 441.461 3.799 0 40 IHAB CCOCCOC(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)OCCOCC 13511769 MLMKGXHQCGKGLY-ULBZPVTCSA-N 438.520 3.669 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2nc(CC(=O)Nc3ccc4[nH]ccc4c3)cs2)cc1 13690840 BAPYLEDKKFBDAK-UHFFFAOYSA-N 426.523 3.915 0 40 IHAB COc1ccc(C(=O)Nc2ccc(OCc3cc(=O)n4cccc(C)c4n3)cc2)cc1OC 15865429 UECUIRYNLQELBP-UHFFFAOYSA-N 445.475 3.851 0 40 IHAB COc1ccc(-c2nnc(NC(=O)c3cc(OC)c(OC)c(OC)c3)s2)cc1OC 17207873 WFFGKGXFJPFDCL-UHFFFAOYSA-N 431.470 3.500 0 40 IHAB Cc1ccc2oc(C(=O)N(C)CC(=O)Nc3ccc(OC(F)(F)F)cc3)cc(=O)c2c1 18012396 HAKCJKGGAKJLQE-UHFFFAOYSA-N 434.370 3.711 0 40 IHAB C[C@@H](C(=O)N1CCC[C@H](c2nc(-c3cccs3)cc(C(F)(F)F)n2)C1)n1cncn1 19078436 KWBSYVDEWSIWSU-STQMWFEESA-N 436.463 3.783 0 40 IHAB COc1cccc(C(=O)N2CCCC[C@H]2c2nc(O)c3c(n2)CN(C2CCCC2)CC3)c1 19564520 VQPBJFAZJMYIQG-QFIPXVFZSA-N 436.556 3.859 0 40 IHAB COc1ccc(-c2nccnc2[C@@H]2CN(C(=O)c3cn4cc(Cl)ccc4n3)CCO2)cc1 19693430 DRCONBQUEYCPRP-IBGZPJMESA-N 449.898 3.667 0 40 IHAB CN(C)c1ncc(-c2cccc(F)c2)c([C@H]2CCCCN2C(=O)c2n[nH]c3c2CCC3)n1 19694292 GZDZRFFMPOITEI-HXUWFJFHSA-N 434.519 3.928 0 40 IHAB CN(C)C(=O)[C@@]1(Cc2cc(C3CCCCC3)no2)CCN(C(=O)Cc2ccccc2F)C1 19739066 VWDQVZIRISBVGC-RUZDIDTESA-N 441.547 3.954 0 40 IHAB COc1ccc(OC)c(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2C)c1 20061611 GPVWBBDOAZNQBC-UHFFFAOYSA-N 432.542 3.829 0 40 IHAB CN(Cc1ccc(Cl)cc1)C(=O)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 20494882 MZAUTPUUDPTGFY-UHFFFAOYSA-N 449.016 3.973 0 40 IHAB Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20902304 BXDNPNDYSNLDGC-FNORWQNLSA-N 444.963 3.587 0 40 IHAB COCCn1c(S[C@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)nc2ccccc21 20980953 FWOTWWXUGRAQPW-LJQANCHMSA-N 438.597 3.508 0 40 IHAB O=C(COC(=O)c1ccccc1C(=O)c1cccs1)Nc1ccc2c(c1)OCCCO2 21480301 QMRJXWKIKVNYRW-UHFFFAOYSA-N 437.473 3.936 0 40 IHAB Cc1ccc(-c2cnc(CCC(=O)N(C)[C@H](C)c3ccc(S(N)(=O)=O)cc3)o2)cc1C 22384010 OZHIWXDTZVVNKU-QGZVFWFLSA-N 441.553 3.758 0 40 IHAB Cc1cccc(C)c1NC(=O)CN1CCN([C@@H](C(=O)N2CCCCC2)c2ccccc2)CC1 23249304 RAADAVKEVZYZCF-AREMUKBSSA-N 448.611 3.613 0 40 IHAB CC1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)CC1 26109938 KVYVGHSGHSYUHE-MRXNPFEDSA-N 433.401 3.794 0 40 IHAB CC(C)c1nnc(NC(=O)[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(C)C)s1 26601786 UBUVPQWDLRUPSJ-KRWDZBQOSA-N 432.571 3.756 0 40 IHAB O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)C1 27243144 DCVGFIRNEIHSPF-HXUWFJFHSA-N 434.540 3.808 0 40 IHAB O=C(COc1ccc2ccccc2c1Br)NC[C@@H]1COc2ccccc2O1 29756638 NVALFYSBCWQREG-OAHLLOKOSA-N 428.282 3.937 0 40 IHAB Cc1ccn2c(=O)cc(COc3ccccc3NC(=O)[C@@H](C)Oc3ccccc3)nc2c1 33067991 JPXKCCUCEJAHFD-GOSISDBHSA-N 429.476 3.988 0 40 IHAB CCN(C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)c1ccccc1Cl 48375496 MKFWIFRKRVCGGD-UHFFFAOYSA-N 431.945 3.554 0 40 IHAB COC(=O)Cn1c2c(sc1=O)[C@@H](c1c(F)cccc1F)CC(=O)N2c1ccc(F)cc1 49547198 JFTFFRUFCBQTFU-CYBMUJFWSA-N 448.422 3.700 0 40 IHAB CCN(C(=O)Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2ccccc21)c1ccccc1 57473044 OEFUZQOIFOOKHA-UHFFFAOYSA-N 447.922 3.918 0 40 IHAB CCOC(=O)c1cnn(-c2ccc(NC(=O)c3cccnc3OC)cc2)c1C(F)(F)F 58745382 PVOVDIIJCXFRPZ-UHFFFAOYSA-N 434.374 3.724 0 40 IHAB Cc1sc2nc([C@H](C)N3CCn4c(CCc5ccccc5)nnc4C3)[nH]c(=O)c2c1C 72308576 QISIQXKOCCYDML-HNNXBMFYSA-N 434.569 3.555 0 40 IHAB CC(=O)N1CCC(c2nc3c(c(NCC(C)(C)c4cccc(F)c4)n2)CN(C)CC3)CC1 72372295 DGFUJXGYWNMULS-UHFFFAOYSA-N 439.579 3.719 0 40 IHAB O=C(c1cc(-c2cccs2)n[nH]1)N1CCC[C@@H](c2cc(C(F)(F)F)n3ncnc3n2)C1 72393662 LNJZWHCOKBZPLY-LLVKDONJSA-N 447.446 3.615 0 40 IHAB COc1cc(/C=C/C(=O)N2CCC[C@H]2c2c(C)nn(C)c2C)cc(Br)c1O 95469008 AVEGJOCNKNVREN-WAVCKPEOSA-N 434.334 3.891 0 40 IHAB CC[C@@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)c1cnn(-c2ccc(=O)[nH]n2)c1C 96012087 POMZLHVHOGOSDQ-LJQANCHMSA-N 446.555 3.626 0 40 IHAB CCOC(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(Br)cc1 113885600 BDZLLKRMFDLBHC-UHFFFAOYSA-N 442.331 3.606 0 40 IHAB COC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccc(F)cc1 113887708 VVLAZIVUNVEDGC-UHFFFAOYSA-N 425.787 3.866 0 40 IHAB CC[C@@H](C(=O)N[C@H]1CC(C)(C)Oc2cc(OC)ccc21)N(c1ccccc1)S(C)(=O)=O 219087228 RKYXOTIETXQXSI-PMACEKPBSA-N 446.569 3.658 0 40 IHAB CC[C@H](C(=O)N[C@H]1CC(C)(C)Oc2cc(OC)ccc21)N(c1ccccc1)S(C)(=O)=O 219087303 RKYXOTIETXQXSI-VQTJNVASSA-N 446.569 3.658 0 40 IHAB Cc1ccc(OC[C@H](C)NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 220007767 QGDRKJLUSLPCSC-IBGZPJMESA-N 430.570 3.757 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 220560514 KOZIXXCCPUBLML-HXUWFJFHSA-N 432.542 3.663 0 40 IHAB COc1ccc(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NCc2ccccc2)cc1OC 222729477 WIZCHPRFWNYGDU-HXUWFJFHSA-N 446.547 3.980 0 40 IHAB CCc1ccc(OCCNC(=O)[C@@H](CC)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 224307582 FFEQKKMQVDCZGX-HXUWFJFHSA-N 438.977 3.642 0 40 IHAB CS(=O)(=O)Nc1ccc(C(=O)NCc2ccccc2CN2CCCCC2)c(Cl)c1 224836140 AQCQEGYLEUONMY-UHFFFAOYSA-N 435.977 3.627 0 40 IHAB CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc(OC)cc1 225010468 BELIJKNTFSKZGN-SFHVURJKSA-N 444.597 3.881 0 40 IHAB CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1 225695839 GZRFXGKJUJEVSF-UHFFFAOYSA-N 434.577 3.730 0 40 IHAB COc1ccc(C)cc1CC(=O)N1CCC[C@@](COc2cccc(Cl)c2)(CC(N)=O)C1 257338197 YWKNKKOLIXIXEY-XMMPIXPASA-N 444.959 3.763 0 40 IHAB O=C1N(Cc2ccsc2)CCO[C@@]12CN(Cc1cccc(F)c1)C[C@@H]2c1cccnc1 306128351 GYLONOFBTDSHJC-ISKFKSNPSA-N 437.540 3.679 0 40 IHAB CC1=NN(C(=O)CCc2ccc3c(c2)OCO3)[C@@](O)(c2ccc(Br)cc2)C1 408563877 ROYSHJWCFQCLQH-FQEVSTJZSA-N 431.286 3.564 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NC(C)C)c1cccc(C(F)(F)F)c1 408594515 SOKGNQBGTGXQGB-UHFFFAOYSA-N 444.475 3.742 0 40 IHAB COc1ccc(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2cc(C)ccc2OC)cc1 408635383 AHMLLHKFKUPKDQ-UHFFFAOYSA-N 446.569 3.974 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)cc1 408703062 DLVWQDLYNLAOSJ-UHFFFAOYSA-N 438.505 3.944 0 40 IHAB COc1ccc(OC)c(N(CC(=O)Nc2cccc(F)c2)S(=O)(=O)c2ccccc2)c1 409027971 WCDYXMXUJAEEGV-UHFFFAOYSA-N 444.484 3.677 0 40 IHAB Cc1ccccc1C(=O)NCc1nn(CC(=O)Nc2cccc(Cl)c2C)c(=S)n1C 409165658 ANCAZNMADIHAEJ-UHFFFAOYSA-N 443.960 3.790 0 40 IHAB C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)[C@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)C1 605689152 KOUQYDYTWOLFNN-PBEJRMEISA-N 434.515 3.959 0 40 IHAB COc1ncccc1C(=O)N1CCCCN(C)C(=O)c2ccccc2OC[C@@H]1CC(C)C 643564662 YIOXTGHFJFXNQN-IBGZPJMESA-N 439.556 3.892 0 40 IHAB CCOC(=O)c1cnn(-c2cc(Oc3ccc(NC(C)=O)cc3)nc(SC)n2)c1C 632610 SEQMVNMNISDDKG-UHFFFAOYSA-N 427.486 3.620 0 40 IHAB O=C(C[C@]1(O)C(=O)Nc2ccc(Br)cc21)c1cccc(Br)c1 989847 SMJXKPCAOZEQJE-MRXNPFEDSA-N 425.076 3.624 0 40 IHAB CCOc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1 2627001 OSFGBTXXZCERGK-UHFFFAOYSA-N 430.448 3.742 0 40 IHAB O=C(NC(=S)Nc1nc(S(=O)(=O)c2ccccc2)c(Cl)s1)c1ccccc1 2686375 AXLALNALAHRDRE-UHFFFAOYSA-N 437.955 3.756 0 40 IHAB Cc1cccc(C(=O)N[C@H](C(=O)OCc2cc(=O)n3c(n2)sc2ccccc23)C(C)C)c1 3332506 SQMFWJMPYREEDQ-NRFANRHFSA-N 449.532 3.715 0 40 IHAB O=C1N[C@H](c2ccc(Br)cc2)[C@@H](C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 4163283 DNRBHMCGLHWPTR-JJRVBVJISA-N 443.219 3.553 0 40 IHAB CCOc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=S)NCCCOC)cc2c1 6196727 RDDXPNZDFMXSDM-UHFFFAOYSA-N 445.610 3.902 0 40 IHAB O=C(Nc1ccc(N2CCCCC2)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1 6923372 WTXFHDUIVHAUIR-UHFFFAOYSA-N 427.570 3.716 0 40 IHAB Cc1cc(NC(=O)CSc2nnc([C@@H](C)N3CCCCC3)n2-c2ccc(F)cc2)no1 8746864 CBSKSZKCACTTPT-OAHLLOKOSA-N 444.536 3.981 0 40 IHAB COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)c(OC)c1 8781031 BGYKGVIJCXNKKD-UHFFFAOYSA-N 432.542 3.909 0 40 IHAB O=C1[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1nn(Cc2ccc(Cl)c(Cl)c2)cc1Cl 8782631 OPOGABGVJOVEIW-NMWPEEMBSA-N 426.687 3.558 0 40 IHAB COc1ccc(-c2coc3cc(OCC(=O)NCc4ccccn4)ccc3c2=O)cc1OC 8993336 XQNMWVIPXBGUFZ-UHFFFAOYSA-N 446.459 3.567 0 40 IHAB biogenic Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccc(CC(C)C)cc2)c(=O)n(-c2ccccc2)n1C 9125028 QSGUQAMJVDLCKG-GOSISDBHSA-N 435.524 3.867 0 40 IHAB Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccccc3Cl)c(=O)n2C)cc1C 9210785 UCCXARLYPUZANI-UHFFFAOYSA-N 449.942 3.757 0 40 IHAB COc1ccccc1/C=C(/C(=O)OCC(=O)N1CC(=O)Nc2ccccc21)c1ccccc1 9463569 BJCQYOYMNBWFFY-HMMYKYKNSA-N 442.471 3.764 0 40 IHAB CCn1nc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c2ccccc2c1=O 9469317 FEJFFXPJYSHYOT-UHFFFAOYSA-N 446.429 3.524 0 40 IHAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 9478097 BLSAZLTVTKKDTJ-RDTXWAMCSA-N 447.557 3.808 0 40 IHAB COc1cc([C@@H]2CC(=O)c3c([nH]c(C(=O)OCCSC)c3C)C2)cc(OC)c1OC 9559813 WLJWDJWWGNFSFK-ZDUSSCGKSA-N 433.526 3.781 0 40 IHAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)N(C)Cc3ccccc3)Oc3ccccc32)cc1 9699492 HZMMAARVGGBRAV-QHCPKHFHSA-N 436.533 3.610 0 40 IHAB CC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1 10186919 KNPJGEJKMFQHGS-UHFFFAOYSA-N 426.947 3.644 0 40 IHAB COc1ccccc1CNC(=O)c1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 10338404 ZHLFHWWDBLJTGW-UHFFFAOYSA-N 442.512 3.731 0 40 IHAB C[C@H](Sc1nnc(-c2ccccc2)n1-c1ccc(F)cc1F)C(=O)NC(=O)NC1CC1 10394978 CSGMNEIRAYTMIV-LBPRGKRZSA-N 443.479 3.681 0 40 IHAB COC(=O)c1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccccc2C)cc1 11851523 UITDEGKNHFENLB-XPWALMASSA-N 442.471 3.833 0 40 IHAB O=C(Cn1ccc2cc(Br)ccc21)N[C@@H](CSCc1ccccc1)C(=O)O 12324658 QNBVTHLRPKIEEE-KRWDZBQOSA-N 447.354 3.907 0 40 IHAB Cc1ccc(F)cc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 12746137 XVOQJFOJHDVTRS-MRXNPFEDSA-N 442.516 3.677 0 40 IHAB CS(=O)(=O)Nc1cc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)ccc1F 12756219 YKMICVQNEVFEGS-UHFFFAOYSA-N 427.457 3.702 0 40 IHAB O=C(CCNS(=O)(=O)c1ccc2ccccc2c1)Nc1cccc(Br)c1 12771520 MNSAEMPVXDJBOV-UHFFFAOYSA-N 433.327 3.909 0 40 IHAB CCOc1cc2ccccc2cc1C(=O)N1CCN(CC(=O)Nc2cccc(F)c2)CC1 12790620 YQDYBXGMVCUTBD-UHFFFAOYSA-N 435.499 3.774 0 40 IHAB O=C(c1c[nH]c2ccccc12)[C@@H](c1ccccc1)N1CCC[C@H](C(=O)N2CCOCC2)C1 12875632 ULDJZODPCCYPEU-GBXCKJPGSA-N 431.536 3.663 0 40 IHAB Cc1ccc(NC(=O)Cc2csc(-c3cccc(F)c3)n2)cc1S(=O)(=O)N(C)C 12893340 ABFXMJFKQZMZFU-UHFFFAOYSA-N 433.530 3.689 0 40 IHAB Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N1CCC[C@H](C(F)(F)F)C1 12906670 VDKLHNLYQYOSAX-KRWDZBQOSA-N 440.487 3.888 0 40 IHAB O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1nnc(SCc2ccc(F)cc2)s1 12942737 AAADUEJQZODAPS-UHFFFAOYSA-N 441.513 3.777 0 40 IHAB O=C([C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)N1CCCC1 12972301 IHVBVNSTSYXKCV-LJQANCHMSA-N 439.364 3.731 0 40 IHAB Cc1ccc(Cl)cc1NC(=O)CSC(=S)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 13572245 GAWXOOSDAWRQEC-LSDHHAIUSA-N 448.013 3.886 0 40 IHAB CCCn1c(NC(=O)c2ccc(OC)c(S(=O)(=O)NC(C)(C)C)c2)nc2ccccc21 14626161 PIOUHRXISJYWBR-UHFFFAOYSA-N 444.557 3.784 0 40 IHAB CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2)c1 15640971 VFCWHCNZAZGRKP-UHFFFAOYSA-N 446.960 3.868 0 40 IHAB COc1ccc(OC)c(NC(=O)[C@@H]2C[C@@H](C(C)C)N[C@@]23C(=O)Nc2c(Cl)cccc23)c1 15973347 FWLWZNRQCPFTRS-WSZRMNBISA-N 443.931 3.777 0 40 IHAB Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)Nc2ccccc2Br)c(C)c1 16084675 FPQJBDJCKSUGTJ-UHFFFAOYSA-N 425.348 3.634 0 40 IHAB CC(=O)Nc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 17859388 IYRVNKAGCDPRBN-ZRBLBEILSA-N 445.450 3.835 0 40 IHAB Cc1cc(-c2cnc(N3CCC(NC(=O)Cc4ccc(F)cc4)CC3)nc2C2CC2)on1 19121719 WWOSVNGSPIJOIA-UHFFFAOYSA-N 435.503 3.784 0 40 IHAB COc1ccc(CC(=O)N2CCC[C@@H]2c2nc(N(C)C)ncc2-c2cc(C)no2)cc1F 19122345 AKGHXTFMYKHNEM-GOSISDBHSA-N 439.491 3.560 0 40 IHAB O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)N1CCN(Cc2ccccc2F)CC1 19317242 GQLQANXHHGLQID-UHFFFAOYSA-N 445.951 3.701 0 40 IHAB COc1ccc(CC(=O)N[C@@H](c2cc(O)n3nc(-c4cccnc4)cc3n2)C(C)C)cc1 19445493 SAUVYTSRSGIAJM-XMMPIXPASA-N 431.496 3.562 0 40 IHAB CCc1cc(C(F)(F)F)nc([C@H]2CCN(C(=O)CCc3nc4ccccc4n3C)C2)n1 19522553 KTWXPGZDPWBVQH-AWEZNQCLSA-N 431.462 3.893 0 40 IHAB CCNC(=O)[C@]1(Cc2ccc(-c3ccccc3)cc2)CCCN(C(=O)c2cncc(N)c2)C1 19528585 BKDOLGLZNYJJIM-MHZLTWQESA-N 442.563 3.932 0 40 IHAB COc1ccc(OC)c([C@@H]2CN(Cc3ccccc3)C[C@H]2NC(=O)c2c(C)noc2C)c1 19580298 PWYYTDFLFBJAKT-FCHUYYIVSA-N 435.524 3.707 0 40 IHAB CNC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CCN(C(=O)c2cccc(OC)c2)C1 19591584 MSGXPOQKHIFBMJ-AREMUKBSSA-N 429.520 3.578 0 40 IHAB CNc1cc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(CN(C)Cc2ccc(F)cc2)n1 19697381 IOPWCEITPXGIGI-KRWDZBQOSA-N 437.494 3.949 0 40 IHAB O=C(NCCO)c1sc2ccccc2c1[C@@H]1CN(Cc2cccc3cccnc23)CCO1 19697638 HRHQCIPMSBHADE-FQEVSTJZSA-N 447.560 3.745 0 40 IHAB CCN(CC)C(=O)c1cnc([C@@H]2CCCCN2C(=O)CCc2nc3ccccc3[nH]2)nc1C 19765565 RZKMPOQDZOYTOJ-NRFANRHFSA-N 448.571 3.830 0 40 IHAB COc1cc2c(cc1OC)[C@@H](c1c(O)[nH]c(=S)n(-c3ccc(Cl)cc3)c1=O)NCC2 20519170 FMGMRRVTGPKGFM-SFHVURJKSA-N 445.928 3.506 0 40 IHAB CCOC(=O)c1cn(CC(=O)Nc2cccc(C(F)(F)F)c2)c2nc(C)ccc2c1=O 20986433 WPLVOWCJENMZGH-UHFFFAOYSA-N 433.386 3.539 0 40 IHAB COc1ccc([C@@H](CNC(=O)Cc2c(C)nc3ccccc3c2C)N2CCOCC2)cc1 23883021 LXXHOHFBBJLLRT-RUZDIDTESA-N 433.552 3.592 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCc2cccc(C(F)(F)F)c2)s1 25364483 CGGGRVFARWPBCA-OAHLLOKOSA-N 432.489 3.545 0 40 IHAB Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1 29098095 ZVPBXZWXPOKJTB-ZBFHGGJFSA-N 427.526 3.503 0 40 IHAB O=C(Cn1nc2n(c1=O)CCCCC2)N[C@@H](c1ccc2c(c1)CCCC2)c1cccs1 30573991 MBPBLOWDEBNNGP-QHCPKHFHSA-N 436.581 3.617 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2cccc(NC(=O)CNC(=O)C3CCCCC3)c2)cc1C 33028423 UBVWDTBSYOPOFC-UHFFFAOYSA-N 443.569 3.739 0 40 IHAB CCc1ccc(OCC(=O)Nc2ccccc2OCc2cc(=O)n3oc(C)cc3n2)cc1 35378567 BBZACPPEZHPGEG-UHFFFAOYSA-N 433.464 3.755 0 40 IHAB Cc1cn2c(=O)cc(COc3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3)nc2s1 41085624 GCFPYBICSYXRSC-UHFFFAOYSA-N 435.461 3.624 0 40 IHAB O=C1CCCN1c1ccc(S(=O)(=O)NCCSCc2c(F)cccc2Cl)cc1 44904711 YHRQVNHEKISJKM-UHFFFAOYSA-N 442.965 3.818 0 40 IHAB Cc1cccc(NC(=O)Cn2c(=O)n(Cc3ccccc3F)c(=O)c3sccc32)c1C 57426779 WNBWESGSOWENRK-UHFFFAOYSA-N 437.496 3.668 0 40 IHAB Cc1cc2nc(SCC(=O)Nc3ccc(Cl)cc3C(F)(F)F)n(C)c(=O)c2[nH]1 57522154 ZPCKEEJLEQHQQD-UHFFFAOYSA-N 430.839 3.973 0 40 IHAB O=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)OCc1csc(-c2ccccn2)n1 58785382 LOMPAHWTCBTNFZ-UHFFFAOYSA-N 428.535 3.601 0 40 IHAB O=C(NCc1ccc2c(c1)OCO2)c1ccc(Oc2nccnc2N2CCCCC2)cc1 67323928 FLSZODILOMWENV-UHFFFAOYSA-N 432.480 3.918 0 40 IHAB Cc1nc2cc(NC(=O)C3CCN(c4cc(-n5ccnc5C)ncn4)CC3)ccc2s1 70637920 FNEQMUPPLPNHGG-UHFFFAOYSA-N 433.541 3.744 0 40 IHAB Cc1nn(C)c(C)c1C(=O)C(=O)Nc1sc2c(c1C(=O)c1ccco1)CC[C@H](C)C2 71874127 PUFUAFICQANQBX-NSHDSACASA-N 425.510 3.869 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C(C)(C)C)C(F)(F)F)CC2)cc1C 72298249 UJBMOAWVTMDOGG-SFHVURJKSA-N 434.524 3.797 0 40 IHAB CCNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCN(C(=O)c2ccccc2OC)C1 72395993 IIDKHASYWABFHE-AREMUKBSSA-N 447.535 3.951 0 40 IHAB CCN1CCN([C@H](C)CNC(=O)[C@H]2CCCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)CC1 95993684 MOKWBPUITPKYFX-NEWSRXKRSA-N 432.012 3.632 0 40 IHAB COc1ccc(-c2noc(-c3cccn3CC(=O)Nc3ccc(NC(C)=O)cc3)n2)cc1F 98211491 MDYZRQVTLQRLFW-UHFFFAOYSA-N 449.442 3.950 0 40 IHAB CC[C@H]1c2ccc(O)c3c2[C@]24CCN(C)[C@@H]1[C@]21C=C[C@@](OC)([C@@H](C(C)(C)O)C1)[C@]4(C)O3 100393723 WFNORGSBXRKKDN-MZZHXQOZSA-N 425.569 3.725 0 40 IHAB biogenic,in-vitro CC(=O)c1ccc(N2CCN(C(=O)c3ccccc3NC(=O)NC(C)C)CC2)c(F)c1 105195105 HUEUBULXLMCMSH-UHFFFAOYSA-N 426.492 3.521 0 40 IHAB O=C(N[C@@H]1CCCc2ccccc21)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 216357583 DRUWWRWIVCOVMU-LADGPHEKSA-N 440.609 3.855 0 40 IHAB CC(C)Oc1ccc(NC(=O)CN(c2ccc(C(F)(F)F)cc2)S(C)(=O)=O)cc1 220046336 SSKGFMRKSOANDW-UHFFFAOYSA-N 430.448 3.897 0 40 IHAB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(Cc2ccncc2)c1C 223042041 GWEBHFLRNKJETQ-XZOQPEGZSA-N 435.597 3.952 0 40 IHAB COC(=O)c1cc(S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)ccc1Cl 223232871 FGQGUOYRFLXGLM-UHFFFAOYSA-N 443.352 3.599 0 40 IHAB COCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1 223558792 MFZYSZYBYGQMKM-SANMLTNESA-N 446.547 3.770 0 40 IHAB COc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCCc3ccc(F)cc3)c2)cc1 224044757 YPIXKJAZNWZHES-UHFFFAOYSA-N 442.512 3.998 0 40 IHAB CCCC[C@H](CC)CNC(=O)CCCN(c1ccc(OC)c(OC)c1)S(C)(=O)=O 224731121 PVJWTBAQJOBQCU-KRWDZBQOSA-N 428.595 3.583 0 40 IHAB Cc1ccccc1OCCNC(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 224773744 VUJFCPMOIPARDI-UHFFFAOYSA-N 438.977 3.698 0 40 IHAB CCc1ccccc1N(CC(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C)S(C)(=O)=O 225138808 DIWBIWKXEOJJRZ-UHFFFAOYSA-N 447.582 3.611 0 40 IHAB CC(C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN1C(=O)c2cccc3cccc1c23 225689617 AKHGFRSVHBQYKS-LJQANCHMSA-N 443.547 3.784 0 40 IHAB FC(F)(F)c1ccc(N2CCN(C3CCN(CCOc4ccccc4)CC3)CC2)nc1 252509815 YWEXXNDPCOXXNM-UHFFFAOYSA-N 434.506 3.766 0 40 IHAB CSc1ccc(C=c2sc3nc(-c4ccccc4Br)nn3c2=O)cc1 254409076 MIXYMWXJLLYWPB-UHFFFAOYSA-N 430.352 3.850 0 40 IHAB CNc1cc([C@H](Cc2c[nH]c3ccccc23)NC(=O)Cn2nc(C)cc2C)nc(C2CC2)n1 257211260 BYECXKJRBNRYSK-NRFANRHFSA-N 443.555 3.791 0 40 IHAB Cc1cc(Nc2cc(NC3CCN(C(=O)c4cccc(F)c4F)CC3)nc(C)n2)[nH]n1 257213359 CHFMIECQCVJIAO-UHFFFAOYSA-N 427.459 3.555 0 40 IHAB C[C@]1(O)CN(CC(=O)Nc2nc3ccc(Cl)cc3s2)CC[C@@H]1Oc1cccc(F)c1 257224101 FAHVWOALGKQWCD-RXVVDRJESA-N 449.935 3.932 0 40 IHAB NC(=O)c1cccc(-c2cccc([C@H]3CN(C(=O)CCCc4ccc(F)cc4)CCO3)n2)c1 257235656 GYUFRTVJWRNJOE-XMMPIXPASA-N 447.510 3.909 0 40 IHAB CSc1ccc(-c2cnc(N(C)C)nc2[C@@H]2CCCN(C(=O)Cn3cccn3)C2)cc1 257258066 KSHIRSQZBVVMIQ-GOSISDBHSA-N 436.585 3.534 0 40 IHAB CNc1cc([C@@H]2CCCN2C(=O)C2(Cc3cccc(F)c3)CCN(C(C)=O)CC2)ccn1 257273391 NGJCUJLZEJOSON-QFIPXVFZSA-N 438.547 3.797 0 40 IHAB Cc1nc([C@@H]2CCN(C(=O)[C@@H](C)c3ccccc3)C2)nc(C)c1CC(=O)N1CCCCC1 257306537 SUQXHWUSODXXQG-PGRDOPGGSA-N 434.584 3.768 0 40 IHAB COc1cccc(Cc2cc(C)nc([C@H]3CN(C(=O)c4n[nH]c5c4CCCC5)CCO3)c2)c1 257309404 UAUVHKWNTKBGIZ-XMMPIXPASA-N 446.551 3.805 0 40 IHAB c1ccc(Cc2cccc(C3CCN(Cc4ccnc(N5CCOCC5)n4)CC3)n2)cc1 257336430 YOIZDGIYPPLQOY-UHFFFAOYSA-N 429.568 3.679 0 40 IHAB C[C@@H](NC(=O)CSc1nnc(-c2cc(Br)ccc2O)n1C)c1ccccc1 408540973 AHSJMIQDZMHNLB-GFCCVEGCSA-N 447.358 3.920 0 40 IHAB CCCCNC(=O)c1ccccc1NC(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 408677396 CMINKBSKUBWIBS-UHFFFAOYSA-N 445.585 3.710 0 40 IHAB CC(=O)Nc1ccc(NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1 409131833 PACZVBZDMHVYKZ-UHFFFAOYSA-N 437.521 3.864 0 40 IHAB COC(=O)COc1c(Cl)cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc1Cl 409232175 HGGNAIWIWANWPS-RQZCQDPDSA-N 449.290 3.947 0 40 IHAB CCCN1CCN(C(=O)c2cnccn2)[C@H](Cc2ccccc2-c2ccc(F)cc2)C1=O 585169051 XLZKQZWKWJEXGI-HSZRJFAPSA-N 432.499 3.588 0 40 IHAB Cc1nc(/C=C/C(=O)N2CCC[C@@H](c3nccnc3Nc3nc(C)c(C)s3)C2)cs1 585291966 WHXVMPWUQLFQFW-FYCOFBDGSA-N 440.598 4.478 0 40 IHAB O=C1C[C@@H]2CCN(C(=O)C3CCOCC3)C[C@@H]2CCOc2ccc(-c3cccnc3)cc2N1 1534646152 CSFDCNKUAYYGNK-UNMCSNQZSA-N 449.551 3.751 0 40 IHAB C[C@H]1CC[C@H](C(=O)N2CCO[C@]3(C2)C(=O)N(Cc2cccnc2)C[C@@H]3c2ccccc2)CC1 2055793409 ZAUHGGYERGYKFO-PKDYZCKRSA-N 447.579 3.632 0 40 IHAB Clc1ccccc1-n1nnnc1SCSc1nnnn1-c1ccccc1Cl 683824 JSBMHEAYJXEBHM-UHFFFAOYSA-N 437.341 3.787 0 40 IHAB CC[C@H](C)[C@@H](NC(=O)[C@H](C)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)OC 2132508 BTYHVYXEVYVEEP-PBPSECFOSA-N 437.492 3.931 0 40 IHAB biogenic CC(=O)Nc1cccc(NC(=S)N[C@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl)c1 3091962 MHAOITVLCAZYAP-AWEZNQCLSA-N 439.796 3.790 0 40 IHAB O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)N1CCN(c2ccccc2O)CC1 3303028 ONENKEYGRPZJHI-UHFFFAOYSA-N 430.917 3.537 0 40 IHAB O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)N[C@H](Cc1ccccc1)C(=O)O 6142014 GUXSBJFILJLILM-JOCHJYFZSA-N 443.455 3.651 0 40 IHAB biogenic O=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1ccccc1Br 8880661 DAAUBAPHBOPSIM-UHFFFAOYSA-N 435.299 3.773 0 40 IHAB COc1ccc(CCNC(=O)c2sc(NS(=O)(=O)c3ccc(C)cc3)nc2C)cc1 8978882 OUZCOAOXOICCDT-UHFFFAOYSA-N 445.566 3.542 0 40 IHAB CC(=O)[C@@H]1[C@H](C(=O)c2ccccn2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(C)ccc3N12 9015860 CTLOGBVHJCVBFC-XVOBZGQLSA-N 449.510 3.952 0 40 IHAB O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1nnc(-c2cc3ccccc3o2)o1 9170091 HMERPTYBSANSQZ-UHFFFAOYSA-N 429.429 3.815 0 40 IHAB CCOc1ccc(-c2cc3c(=O)n(CC(=O)N(CC)c4cccc(C)c4)ccn3n2)cc1 9321221 VCTJCMWCYFJPQO-UHFFFAOYSA-N 430.508 3.923 0 40 IHAB O=C(CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O)Nc1ccc(F)c(F)c1 9539894 HKLIFXOQPDLZFN-DEOSSOPVSA-N 435.430 3.593 0 40 IHAB O=C(CSc1nnc(NC(=O)COc2ccccc2)s1)NCc1ccccc1Cl 9599944 KVUAGCXFQJDJHT-UHFFFAOYSA-N 448.957 3.618 0 40 IHAB Cc1ccc(S(=O)(=O)CCC(=O)N(CCN(C)C)c2nc3ccc(C)cc3s2)cc1 9707923 GCBCSMNYXINVLF-UHFFFAOYSA-N 445.610 3.672 0 40 IHAB CCS(=O)(=O)c1cccc(C(=O)N(CCCN(C)C)c2nc3c(F)cccc3s2)c1 9707967 WMQJSXXHXGFGAX-UHFFFAOYSA-N 449.573 3.828 0 40 IHAB O=C(Nc1ccc(-c2nccs2)cc1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 9711795 BHCMXZRCRNILFX-IBGZPJMESA-N 427.551 3.992 0 40 IHAB CCN(CC)CCCn1c2c(c(SCC(=O)Nc3cc(C)ccc3C)nc1=O)CCC2 9746414 NBXXLLAMDNFYIG-UHFFFAOYSA-N 442.629 3.812 0 40 IHAB CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 11917794 DOPVRENZBWFICE-GOSISDBHSA-N 436.555 3.731 0 40 IHAB COc1cccc(-n2cnn(CN3CCN(c4ccc(C(C)=O)cc4F)CC3)c2=S)c1 12517618 NDNFGKDQNMAONZ-UHFFFAOYSA-N 441.532 3.533 0 40 IHAB COc1cc(CC(=O)N[C@@H](c2ccc(Cl)cc2)c2nccn2C)cc(OC)c1OC 12540894 ZUIRBZGKBFICKW-FQEVSTJZSA-N 429.904 3.548 0 40 IHAB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@H](C(C)C)N2CCOCC2)cc1 12736340 WKYNCMQBENMBMD-XMMPIXPASA-N 448.567 3.635 0 40 IHAB COc1cc2c(cc1OC)CN(C(=O)CSc1n[nH]c(/C=C/c3ccc(C)o3)n1)CC2 12842531 UPJYGMVAYNJARQ-VOTSOKGWSA-N 440.525 3.571 0 40 IHAB CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Cc1n[nH]c(=O)c2ccccc12 12990235 VYKCHQSBSPDPSY-UHFFFAOYSA-N 449.514 3.977 0 40 IHAB CCc1nn2c(=O)cc(COc3cccc(NC(=O)c4cccc(OC)c4)c3)nc2s1 13368108 BZQIDKNPZFYZOY-UHFFFAOYSA-N 436.493 3.553 0 40 IHAB COc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCc3ccccc3C2)c(OC)c1 13496252 FCFKOBKGDYXNAE-RUZDIDTESA-N 441.535 3.886 0 40 IHAB COCCn1nnnc1[C@@H](c1ccccc1Cl)N1CCN(c2cccc(C)c2C)CC1 13504305 PJBJIWHNOAROTQ-JOCHJYFZSA-N 440.979 3.501 0 40 IHAB CCCCN(C(=O)CNC(=O)c1ccco1)[C@H](C(=O)NC1CCCCC1)c1ccccc1 13507792 NUJAKPDQXUDTEK-QHCPKHFHSA-N 439.556 3.828 0 40 IHAB O=C(OCc1cnn(-c2ccccc2)c1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 14198777 SFCKDOWIXZPOCP-UHFFFAOYSA-N 445.928 3.667 0 40 IHAB CN1CCN(c2ccc(NC(=O)CCc3ncc(-c4ccc(Cl)cc4)o3)cn2)CC1 14521892 RMEBEPVBMDCLDU-UHFFFAOYSA-N 425.920 3.713 0 40 IHAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCN(Cc4ccccc4)CC3)c2)cc1 15345347 AUDUQEAAAXMCKI-UHFFFAOYSA-N 449.576 3.754 0 40 IHAB Cc1cc(Br)ccc1NC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)CCC2 16086037 LJVCONOWAPSGDL-UHFFFAOYSA-N 437.359 3.505 0 40 IHAB COc1cc(CNS(=O)(=O)c2ccc(Br)c(C)c2)ccc1OC(F)F 17332511 LCQVBBKOYBKDDA-UHFFFAOYSA-N 436.274 3.846 0 40 IHAB O=c1c2c3c(sc2n2cnnc2n1Cc1ccccc1)CN(Cc1ccccc1)CC3 19707846 SXTINQDOYQNGBQ-UHFFFAOYSA-N 427.533 3.712 0 40 IHAB aggregator CNCc1cc(N(C)C)nc([C@@H]2CCCN2C(=O)c2oc3ccc(Cl)cc3c2C)n1 19760497 PXQYKOJJBWPGRN-KRWDZBQOSA-N 427.936 3.947 0 40 IHAB Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1NS(=O)(=O)c1ccc(F)cc1 19897669 ODHWQEDBLRKJMO-UHFFFAOYSA-N 438.477 3.875 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N[C@@H]2CCCc3ccccc32)c(C)c1 20022720 KMKZIWAKYMDQRJ-OAQYLSRUSA-N 430.570 3.598 0 40 IHAB COC(=O)c1ccc(NC(=O)Cn2nc(-c3cc(C)ccc3C)c3c(c2=O)CCCC3)cc1 20095325 LJFJGOUGDIEQHH-UHFFFAOYSA-N 445.519 3.831 0 40 IHAB Cc1ccc2c(=O)c(C(=O)c3ccccc3)cn(CC(=O)Nc3ccc(F)cc3F)c2n1 20579524 WSIIMXKVLUMZBN-UHFFFAOYSA-N 433.414 3.853 0 40 IHAB CCc1ccccc1NC(=O)CSc1nnc(-c2cc(C)ccc2NC(C)=O)c(O)n1 21882695 SKLQGQNUHUPMAL-UHFFFAOYSA-N 437.525 3.804 0 40 IHAB CCOC(=O)c1ccc(N(Cc2ccncc2)C(=S)NC(=O)c2ccc(OC)cc2)cc1 22528498 ATQROHZXNMHAFA-UHFFFAOYSA-N 449.532 3.988 0 40 IHAB CCOc1c(Br)cc(C(=O)NC[C@@H](c2ccsc2)N(C)C)cc1OC 25329014 LWHKJDYATIBUCI-HNNXBMFYSA-N 427.364 3.951 0 40 IHAB CC(C)c1cccc(N2C[C@@H](C(=O)N3CCC(C(=O)NCc4ccccc4)CC3)CC2=O)c1 25761766 OJJFHNJFULNWHA-QHCPKHFHSA-N 447.579 3.718 0 40 IHAB COc1ccc(CCNC(=O)N[C@H](C)c2cnn(-c3ccc(F)cc3)c2C)cc1OC 29321152 MWJUJPNETSZFPI-OAHLLOKOSA-N 426.492 3.940 0 40 IHAB C[C@H]1CCCN(C(=O)c2ccc(N3CCCCC3)c(S(=O)(=O)N3CCCCC3)c2)C1 29509835 XJMIWPQWQLNQIK-IBGZPJMESA-N 433.618 3.724 0 40 IHAB Cc1ccc2nc(NC(=O)Cn3nnc(-c4ccc(Br)cc4)n3)sc2c1 31731800 JGJBZNNLICQGPP-UHFFFAOYSA-N 429.303 3.659 0 40 IHAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@@H](c1ccccc1OCC(C)C)SCC(=O)N2 31810151 FFZUDANAEBBKAN-LJQANCHMSA-N 449.540 3.657 0 40 IHAB CCCNC(=O)[C@@H]1CN(S(=O)(=O)c2cc(Cl)sc2Cl)c2ccccc2O1 32550052 BGMACUVREHNKPL-LBPRGKRZSA-N 435.354 3.537 0 40 IHAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)N(C)c3nc4ccccc4o3)c2)C1 32901885 WMNWNFQYZWQISV-HZPDHXFCSA-N 427.526 3.771 0 40 IHAB CN(C)S(=O)(=O)c1ccc(SCC[S@](=O)c2cc(Cl)ccc2Cl)nc1 32934826 GRKSMSFHWXOEFL-XMMPIXPASA-N 439.411 3.539 0 40 IHAB O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)N1CCC(c2nc3ccccc3[nH]2)CC1 36393292 DENCGBNHKFJSLL-UHFFFAOYSA-N 438.837 3.803 0 40 IHAB CCn1nccc1CN(CCc1ccccc1)S(=O)(=O)c1c(C)nn(C(F)F)c1C 36615220 CHPRHDKOWICNJB-UHFFFAOYSA-N 437.516 3.545 0 40 IHAB Cc1cc(C(=O)COC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)c(C)n1CCc1ccccc1 40158992 YAOOZKUNLQYZKH-HYBUGGRVSA-N 440.565 3.528 0 40 IHAB O=C(Cn1ccc2c(Br)cccc21)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 40309267 IFTKGFIWJHZLDZ-SFHVURJKSA-N 440.297 3.697 0 40 IHAB biogenic CCc1ccc(-c2nn(CC)c(=O)c3c2CCCC3)cc1S(=O)(=O)N1CCCCCC1 46027706 ZNMSTXYLBXDLDR-UHFFFAOYSA-N 443.613 3.936 0 40 IHAB COc1cc([C@H]2CC(=O)N(c3ccc(F)cc3)c3c2sc(=O)n3C)cc(OC)c1OC 49547129 DPAZCFIXHIMEPK-OAHLLOKOSA-N 444.484 3.812 0 40 IHAB CN(Cc1ccccc1Br)C(=O)CSc1ccc(C(=O)N2CCCC2)cn1 62580569 JSUWYNXQDCFVTN-UHFFFAOYSA-N 448.386 3.831 0 40 IHAB Cc1cc(-c2ccc(N)nc2)cc([C@H]2CCN(C(=O)Cc3ccc4c(c3)OCCCO4)C2)n1 72374684 HTJAJDKFXUQCGC-FQEVSTJZSA-N 444.535 3.754 0 40 IHAB CC(C)(Oc1ccc([C@H]2CC2(Cl)Cl)cc1)C(=O)NCCc1nnc2ccccn12 79488265 WJSMNUTZWAQACY-MRXNPFEDSA-N 433.339 3.907 0 40 IHAB Cc1cc2ncn(C[C@@H](O)CNC(=O)c3cc(C)n(Cc4ccccc4)c3C)c2cc1C 89609012 GENOSIQECBQSFU-QFIPXVFZSA-N 430.552 3.911 0 40 IHAB Cn1nc(NC(=O)c2cccc(OCc3cn4ccccc4n3)c2)cc1Br 95441887 CYTNRHQFVRHPFL-UHFFFAOYSA-N 426.274 3.662 0 40 IHAB Cc1cc(=O)c(O)c(CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n1C 95473452 ZWBKIYNXKOELBK-UHFFFAOYSA-N 439.506 3.585 0 40 IHAB CCN(CC)C[C@@H]1CCCC[C@@H]1NCc1nnc(C(=O)NCc2ccc(C)cc2)s1 95946105 AMJMOUZGVXPIDZ-PMACEKPBSA-N 429.634 3.767 0 40 IHAB c1ccc2c(c1)CN(Cc1ccc3c(c1)OCO3)CC21CCN(CCN2CCCC2)CC1 96242489 QHKGUQDYXZXFAT-UHFFFAOYSA-N 433.596 3.861 0 40 IHAB COc1ccccc1N(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)C(=O)c1ccccc1C 100396804 HZMFNTWEHUTWIU-LQCNHDFWSA-N 442.515 3.661 0 40 IHAB COc1ccc([C@H]2C=C(c3ccc(Cl)cc3)Nc3nc(CCCO)nn32)cc1OC 100892493 GESNMWZRUXRAJE-GOSISDBHSA-N 426.904 3.930 0 40 IHAB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C(/NCc1ccccc1)Nc1ccccc1 101382495 KBNDTEVWASUZFK-MRCUWXFGSA-N 430.439 3.522 0 40 IHAB CCOc1ccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H]([C@H]6C[C@H]56)[C@H]4C3=O)c2)cc1 102149460 CIWFEOSWQPEVPL-UKIRVEGOSA-N 428.488 3.895 0 40 IHAB CCN(CC)C(=O)CSc1nc(=O)c(Cc2ccccc2)c(O)n1-c1ccccc1C 102494776 FTEBNEOTQMQNPS-UHFFFAOYSA-N 437.565 3.798 0 40 IHAB CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3cccc(C(=O)O)c3)n2C)cc1 108982116 CGPFTPVUGOEDAR-CQSZACIVSA-N 440.525 3.947 0 40 IHAB COc1ccc2[nH]cc(/C=C(\NC(=O)c3ccccc3)C(=O)N3C[C@H](C)O[C@@H](C)C3)c2c1 215701040 YQCCVIAIUKGICA-YFWLPYILSA-N 433.508 3.583 0 40 IHAB COCCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(Br)cc1 219679888 QPKBSWREBOMZJZ-CQSZACIVSA-N 435.318 3.621 0 40 IHAB Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1OCC(=O)N1CCOc2ccccc21 222797618 XZFCIJOTBKCJHK-UHFFFAOYSA-N 438.505 3.600 0 40 IHAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(OC)c(OC)c1 222805513 FRCDBTJYZKSOMD-MRXNPFEDSA-N 432.948 3.843 0 40 IHAB COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C)c(N2CCCC2=O)c1 225507338 HEAYZNSBQXIFGT-UHFFFAOYSA-N 439.331 3.694 0 40 IHAB C[C@@]12CC[C@@H](C[C@@H]1C(=O)N1CC[C@]3(O)CCCC[C@H]3C1)[C@]1(C2)NC(=O)c2ccccc2N1 253596947 YLADSPDXWVIEID-YFTCIBRXSA-N 437.584 3.518 0 40 IHAB Cn1ccc(C(=O)Nc2ccccc2C(=O)N2CC[C@H](Cc3cccc4ncccc34)C2)n1 257308435 TWRKHCKYIQRAIS-GOSISDBHSA-N 439.519 3.925 0 40 IHAB Cc1cc(C)n(CC(=O)N2CCCC[C@@H]2c2ncc(Cc3cccc(Cl)c3)o2)c(=O)n1 257318470 VOBIRGDDSMXATA-HXUWFJFHSA-N 440.931 3.846 0 40 IHAB Cc1ccc(C)c(N([C@H](C)C(=O)Nc2nnc(SCC(C)C)s2)S(C)(=O)=O)c1 260815108 RQOOSUMRTBBSBF-CQSZACIVSA-N 442.632 3.696 0 40 IHAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 260919968 FAUFAESUFIFZSM-IRXDYDNUSA-N 430.570 3.606 0 40 IHAB C[C@H](NC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl)c1ccccc1 408584667 SSMRCLPQJGEZSY-HNNXBMFYSA-N 436.961 3.817 0 40 IHAB CCC(=O)Nc1cc(S(=O)(=O)Nc2cc(OC)c(Cl)cc2OC)ccc1OC 408696642 CZCDQOZVBUGENS-UHFFFAOYSA-N 428.894 3.515 0 40 IHAB COc1ccccc1CNC(=O)c1ccccc1NC(=O)C(=O)NCCC1CCCCC1 408709767 HOZAYAHOLCAURA-UHFFFAOYSA-N 437.540 3.650 0 40 IHAB COc1cc(Cl)ccc1NC(=O)COc1ccc(CNC[C@@H]2CCCN2C)cc1OC 518779185 ARWYOEGGWVNKPT-SFHVURJKSA-N 447.963 3.559 0 40 IHAB CC(C)CC(=O)N1CCCN(C(=O)c2ccc3nc[nH]c3c2)CCNCc2ccccc21 643557067 AFVNZLWVOXLVEG-UHFFFAOYSA-N 433.556 3.578 0 40 IHAB O=C(Nc1cccc(S(=O)(=O)N2CCC[C@@H](Cc3ccccc3)C2)c1)C(F)(F)F 1621758190 VGNMEJBDCDSYRD-INIZCTEOSA-N 426.460 3.831 0 40 IHAB O=S(=O)(NC[C@H](O)c1cc(-c2ccco2)cs1)c1ccc(OC(F)(F)F)cc1 1775971740 MAWAZTBACDODKN-AWEZNQCLSA-N 433.429 3.919 0 40 IHAB Cn1cc(C(=O)N2CCC(COc3ccc4nc(C(C)(C)C)cn4n3)CC2)c(C(F)F)n1 1888897082 QOVZEGSHYPBOCO-UHFFFAOYSA-N 446.502 3.629 0 40 IHAB CCOC(=O)COc1c(Cl)cc(/C=C2\N=C(c3ccc(OC)cc3)OC2=O)cc1OC 623284 NOKBOMLGUXSMLU-YVLHZVERSA-N 445.855 3.644 0 40 IHAB COC(=O)c1ccc(NC(=O)c2ccccc2C(=O)Nc2ccc(C(=O)OC)cc2)cc1 669004 WKJYRNBWHLBVJG-UHFFFAOYSA-N 432.432 3.764 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3OC)n2CC)cc1 882955 VSNMYVCHBSVANB-UHFFFAOYSA-N 440.525 3.881 0 40 IHAB Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CCC(C)CC3)cc2c1 907682 CMQRRZJWTOQITM-QHCPKHFHSA-N 446.530 3.832 0 40 IHAB Cn1c2ccccc2c2cc(/C=C(\NC(=O)c3ccccc3)C(=O)N3CCOCC3)ccc21 2285815 WOODERVCXQCPRD-NKFKGCMQSA-N 439.515 3.961 0 40 IHAB COC(=O)c1ccc(COC(=O)c2cc(OC)c(OC)cc2NC(=O)c2ccco2)cc1 3246747 PVKUOHXBIBMJSU-UHFFFAOYSA-N 439.420 3.693 0 40 IHAB Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccco3)C(=S)NCCCN(C)C)cc2c1 4132685 YBSABTNWODPUIB-UHFFFAOYSA-N 426.586 3.566 0 40 IHAB COC(=O)c1cc(NC(=O)COc2ccc(C(C)(C)C)cc2)ccc1N1CCOCC1 4711468 OZOQEJXNMZHAOF-UHFFFAOYSA-N 426.513 3.625 0 40 IHAB O=C(Nc1nc2ccccc2[nH]1)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1 6152412 JXANQEHOFIUKGM-UHFFFAOYSA-N 432.505 3.957 0 40 IHAB CCc1ccc2[nH]c(=O)c(CN(CCN(CC)CC)C(=S)NCc3ccco3)cc2c1 6197733 TUSBJJJBEKYPNU-UHFFFAOYSA-N 440.613 3.902 0 40 IHAB CC(C)CCN(C(=O)CNC(=O)c1ccco1)[C@@H](C(=O)NC1CCCCC1)c1ccco1 6551826 OZIXDHYJCJXQRC-JOCHJYFZSA-N 443.544 3.667 0 40 IHAB C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3nc(-c4ccncc4)cs3)cc2)C1 8663754 ZJOVOPTWEFSCSN-HNNXBMFYSA-N 442.566 3.878 0 40 IHAB CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)c(F)c2)cc1 8810881 IBNPXEAVYBVFHF-UHFFFAOYSA-N 445.447 3.976 0 40 IHAB O=C(COC(=O)C(O)(c1ccccc1)c1ccccc1)Nc1ccccc1Br 9181067 HZOBWLPYALRPLF-UHFFFAOYSA-N 440.293 3.867 0 40 IHAB O=C(Nc1cccc(F)c1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCC1 9223382 LYMGYSVIIFVQTA-UHFFFAOYSA-N 431.533 3.853 0 40 IHAB CN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccc(OCc2cn3ccccc3n2)cc1 9377501 JXAWMGZFDLKBJW-UHFFFAOYSA-N 429.476 3.957 0 40 IHAB Cc1ccc(S(=O)(=O)NCCC(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1C 9453794 INPITBQTRGNPKE-IBGZPJMESA-N 443.594 3.945 0 40 IHAB Cc1cc(Cl)ccc1OCC(=O)N(Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 9463670 KFLLBWZVXWIUGB-SFHVURJKSA-N 442.364 3.897 0 40 IHAB CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)CCCSc1nc2ccccc2[nH]1 9466917 JBMLHGUXAUIQLZ-UHFFFAOYSA-N 436.459 3.950 0 40 IHAB COc1ccc(CNC(=O)CSc2nnc(-c3ccc(Br)cc3)o2)cc1 9507642 KMEMRUHFBWZWPW-UHFFFAOYSA-N 434.315 3.916 0 40 IHAB CCCCn1nnnc1CSc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2 9534769 IWRUHURENAOJSF-UHFFFAOYSA-N 449.540 3.801 0 40 IHAB COCCn1c(SCc2cc(=O)n3c(C)cccc3n2)nnc1-c1ccc(Cl)cc1 9633772 NQNGRLPIQRFNNQ-UHFFFAOYSA-N 441.944 3.854 0 40 IHAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(Br)c(Cl)c2)cc1 9694892 OURVOQLOLUEFQO-UHFFFAOYSA-N 446.754 3.597 0 40 IHAB O=C(c1ccc(I)cc1)N1N=C2CCCC[C@@H]2[C@]1(O)C(F)(F)F 9730685 WCTRGUYOHRBUIC-FZMZJTMJSA-N 438.187 3.544 0 40 IHAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)Cn2cnc3sccc3c2=O)cc1 9795612 HAIYMZREYDVUJA-NRFANRHFSA-N 444.516 3.845 0 40 IHAB C[C@H](Sc1n[nH]c(=O)n1CCc1ccccc1)C(=O)Nc1ncc(Cl)cc1Cl 9951902 UMFVKBKQTACIIX-NSHDSACASA-N 438.340 3.635 0 40 IHAB Cc1ccc(-c2nnc(O)c3c2[C@@H](c2ccc(Br)cc2)n2nnnc2N3)cc1 10232595 TZIILEQKVUXCHS-QGZVFWFLSA-N 436.273 3.601 0 40 IHAB CCN(CC)C(=O)[C@@H]1CC[C@@](C)(C(=O)N2CCC[C@@H](c3n[nH]c4ncccc34)C2)C1(C)C 12221205 GJPVZCYTZLCUST-MIAKESKMSA-N 439.604 3.975 0 40 IHAB CCCCN1C(=O)[C@](NC(=O)CCC2CCCCC2)(C(F)(F)F)C(C(=O)OC)=C1C 12419962 NYNCGJRSZKKDLG-FQEVSTJZSA-N 432.483 3.854 0 40 IHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCc1ncc(-c2ccc(F)cc2)o1 12483147 FTFUSURFLTXCHX-UHFFFAOYSA-N 428.416 3.856 0 40 IHAB CC[C@H]1CCc2sc(C(=O)N(C)CC(=O)Nc3ccc(N4CCOCC4)cc3)cc2C1 12527370 VKJDTCDKHRBOJG-KRWDZBQOSA-N 441.597 3.810 0 40 IHAB CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)N2CCN(c3cccc(OC)c3)CC2)CC1=O 12538162 BHYNISNZYVEFRQ-PMACEKPBSA-N 435.568 3.910 0 40 IHAB O=C(Cc1c(Cl)cccc1Cl)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 12767987 AAQUMRHUUHHYDA-CQSZACIVSA-N 446.334 3.980 0 40 IHAB Cc1ccc(CN(C(=O)c2csnn2)[C@@H](C(=O)NC2CCCC2)c2ccccn2)cc1 12872289 CVCWIDDKWKVDLR-OAQYLSRUSA-N 435.553 3.684 0 40 IHAB O=C(C[C@](O)(c1ccccc1)C(F)(F)F)OCC(=O)N1CCC(Cc2ccccc2)CC1 12905174 ZZNICNSXFLGPOS-QHCPKHFHSA-N 449.469 3.851 0 40 IHAB O=C(c1ccc2c(c1)CCC2)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 12998742 DGNODWIDZUGNFK-UHFFFAOYSA-N 439.364 3.629 0 40 IHAB COc1ccccc1Cn1c(=O)c2ccccc2n2c(=S)n(CN3CCC[C@@H](C)C3)nc12 13063530 JQZUYQMCCZRBLU-QGZVFWFLSA-N 449.580 3.926 0 40 IHAB CN(C)[C@H](CNC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1cccc(F)c1 14072509 QNRSVASYNLYNAX-LJQANCHMSA-N 438.469 3.875 0 40 IHAB COc1ccc([C@H](CC(=O)OC(C)C)NC(=O)/C=C/c2cn(Cc3ccccc3)nn2)cc1 14394929 HQEBXSHMCGOQKB-UDFXALJUSA-N 448.523 3.547 0 40 IHAB NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 15425796 QDIVBXGNRCLBEH-UHFFFAOYSA-N 439.320 3.873 0 40 IHAB CCc1noc(C)c1C(=O)N[C@H](Cc1cc(=O)[nH]c(-c2ccncc2)n1)c1ccc(F)cc1 19521275 BXAIUPWCEUOGTC-HXUWFJFHSA-N 447.470 3.544 0 40 IHAB CN(C)C(=O)[C@]1(Cc2ccc(-c3ccccc3)cc2)CCCN(C(=O)c2cnccn2)C1 19579438 FVIXNFJERWHKHB-SANMLTNESA-N 428.536 3.697 0 40 IHAB CNc1nc([C@@H]2CCCN2)nc2c1CN(CC(=O)Nc1ccccc1-c1ccccc1)CC2 19710810 RPXDDHKRAXAGDV-QHCPKHFHSA-N 442.567 3.607 0 40 IHAB CCc1nn(C)c(C(=O)Nc2ccc([C@@H]3C[C@H](NC(C)=O)C[C@H](C(C)C)O3)cc2)c1C 19711750 MPGSWUPXALXZHM-FCEUIQTBSA-N 426.561 3.924 0 40 IHAB COc1ccc(-n2cnc3c(sc4nc(N5CCOCC5)c5c(c43)CCCC5)c2=O)cc1 20029360 JUJDGIXVODYHMM-UHFFFAOYSA-N 448.548 3.719 0 40 IHAB CCOc1cccc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)c(OC)c2)c1 20152669 OEDOLAFFYIUSSX-UHFFFAOYSA-N 426.494 3.973 0 40 IHAB COCCCNC(=O)c1nn(-c2ccccc2Cl)c2c1Cc1cc(OC)c(OC)cc1-2 20725918 YRIQLYBZEGDYQM-UHFFFAOYSA-N 441.915 3.880 0 40 IHAB Cc1ccc(-c2nc3n(n2)[C@@H](CC(=O)Nc2ccc(Br)cc2)C(=O)N3)cc1 20728119 WNBPYICPFWWDNY-HNNXBMFYSA-N 426.274 3.538 0 40 IHAB CCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(=O)OCC)cc2)n2c1nc1ccccc12 21005917 QAIXXAAMYVTBGW-HXUWFJFHSA-N 434.496 3.930 0 40 IHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 22390630 AUUUOSSVLVSBFD-KRWDZBQOSA-N 445.585 3.743 0 40 IHAB C[C@H](Sc1nnc(CN2CCCC2)n1Cc1ccccc1)C(=O)NC1CCCCC1 22527048 GNZCLSGZCIECPS-SFHVURJKSA-N 427.618 3.852 0 40 IHAB COc1ccc2nc(N(CCn3cccn3)C(=O)c3ccc4c(c3)OCCO4)sc2c1 22602991 ZTNIHLANQRKUFC-UHFFFAOYSA-N 436.493 3.620 0 40 IHAB O=C(COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)NCCCc1ccccc1 22715758 AYOKXNGCWBHDJR-UHFFFAOYSA-N 449.473 3.609 0 40 IHAB CCOC(=O)c1c(NC(=O)CSCc2nnc3n2CCCCC3)sc2c1CCCC2 27028008 LVHPGJGSRSNPHD-UHFFFAOYSA-N 448.614 3.993 0 40 IHAB Cc1cnc2c(S(=O)(=O)N3CCN(CCOc4ccccc4Cl)CC3)cccc2c1 29375040 PHPLZSQMQGKYPL-UHFFFAOYSA-N 445.972 3.582 0 40 IHAB CCN(CC)[C@@H](CNC(=O)CN1C(=O)CSc2ccccc21)c1ccccc1Cl 32316750 WPSSOSDNVKTMOL-IBGZPJMESA-N 431.989 3.978 0 40 IHAB COc1ccc(N(CCC(=O)N[C@H](C)C2CC2)S(=O)(=O)c2cccc(Cl)c2)cc1 32739433 QKDPMNNVKSNPSM-OAHLLOKOSA-N 436.961 3.849 0 40 IHAB CCN(CC)C(=O)CSc1nnc(SCC(=O)Nc2cc(C)ccc2OC)s1 32947340 VSXHFACRPDZLMR-UHFFFAOYSA-N 440.616 3.546 0 40 IHAB Cc1cccc(CSc2nnc3n(C)c(=O)c4ccc(C(=O)NC5CCCC5)cc4n23)c1 33256829 PMUDQMSENINOOR-UHFFFAOYSA-N 447.564 3.854 0 40 IHAB CCOc1ccc2[nH]c(=O)c([C@@H]3c4cc(OC)c(OC)cc4CCN3C(=O)C3CC3)cc2c1 35313436 INXSBQUVTXFANO-DEOSSOPVSA-N 448.519 3.828 0 40 IHAB Cc1cccc(Nc2nnc(S[C@H](C(=O)N3CCC(C(N)=O)CC3)C(C)C)s2)c1C 40050905 OZZGMTJFYWWUOW-KRWDZBQOSA-N 447.630 3.739 0 40 IHAB CCN1CCN(c2ccc(CNC(=O)c3cccnc3Sc3ccccc3)cn2)CC1 40151643 XJZLMJXNOPBDRS-UHFFFAOYSA-N 433.581 3.700 0 40 IHAB C[C@H](CNC(=O)C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)CN1CCCCC1 40157536 ZQGRVIBRTJOMRZ-DYVFJYSZSA-N 429.508 3.747 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(C(N)=O)cc3)cc2Cl)cc1 44839547 PYHQIRYFTRRTBY-UHFFFAOYSA-N 443.912 3.800 0 40 IHAB O=C(Nc1ccc(C(=O)NC2CC2)c(Cl)c1)N[C@H](CN1CCCC1=O)c1ccccc1 48342399 GIJOLSHHLOXNHR-HXUWFJFHSA-N 440.931 3.717 0 40 IHAB CCOC(=O)C1=C(CN(CC)Cc2ccccc2)NC(=O)N[C@@H]1c1ccccc1OCC 57415808 BSFGRBIGRAWGFN-HSZRJFAPSA-N 437.540 3.779 0 40 IHAB COc1ccc(-c2cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)n[nH]2)c(OC)c1 57477169 VREWBAIIJYWWCM-UHFFFAOYSA-N 426.904 3.710 0 40 IHAB COc1ccc(Br)cc1CN(C)C(=O)[C@H](C(C)C)N1C[C@H](C)O[C@@H](C)C1 58130829 KFCRDOJWKYRVPL-DOXZYTNZSA-N 427.383 3.550 0 40 IHAB COc1ccc([C@H](NC(=O)NCCS(=O)(=O)Cc2ccccc2)c2ccccc2)cc1 58203120 AHBLLUMPCJMJII-HSZRJFAPSA-N 438.549 3.699 0 40 IHAB CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCCc2coc(-c3ccc(F)cc3)n2)cc1 58305139 YUQRJOCMPODMRM-UHFFFAOYSA-N 445.516 3.530 0 40 IHAB CCOc1ccccc1NC(=O)Cn1ncn2nc(-c3cccc4ccccc34)cc2c1=O 67208455 QRUIYJDIBKUCJN-UHFFFAOYSA-N 439.475 3.749 0 40 IHAB Cc1ccc(N2CCN(C[C@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@@H](O)[C@H]34)CC2)cc1C 70680963 ZZSQDHGSNRGFRY-QJUHDENJSA-N 438.612 3.710 0 40 IHAB CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1CCC(n3cccc3)CC1)C2=O 72277202 JNQYPEPJXLIJKD-UHFFFAOYSA-N 428.577 3.569 0 40 IHAB COc1ccc(NC(=O)C2(NC(=O)[C@H](C)Oc3ccc(F)c(F)c3)CCCC2)cc1OC 72310326 WOQOYYJUIVEDKM-AWEZNQCLSA-N 448.466 3.817 0 40 IHAB CCc1c(C)sc2ncn([C@@H]3CCCN(CC(=O)N4[C@@H](C)CCC[C@H]4C)C3)c(=O)c12 72347732 KVIFAHCOEATTHL-SOLBZPMBSA-N 430.618 3.755 0 40 IHAB NC(=O)c1cccc(-c2cccc([C@@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)n2)c1 72349075 DYGBOLBXWAFGEP-GOSISDBHSA-N 439.512 3.555 0 40 IHAB COC(=O)c1ccc(NC(=O)N(Cc2cccnc2)C[C@@H]2CCCO2)c(Br)c1 79067450 BUQWNJHOYMZJHI-INIZCTEOSA-N 448.317 3.844 0 40 IHAB Cc1noc(CSc2ccccc2C(=O)N2CCCN(c3nc4ccccc4[nH]3)CC2)n1 84286772 KGZYGKHTQPBFAL-UHFFFAOYSA-N 448.552 3.899 0 40 IHAB COC(=O)[C@H]1Oc2cc(C)oc(=O)c2[C@@H]1c1cccc(OC)c1OCc1ccccc1F 85413602 GXQQVEWWWFSXQW-UGKGYDQZSA-N 440.423 3.741 0 40 IHAB CN1CCN(C(=O)C[C@@H]2CC3(CCN(C(=O)c4ccccc4F)CC3)c3ccccc32)CC1 96100206 PITAYQHOCWUAMX-HXUWFJFHSA-N 449.570 3.651 0 40 IHAB COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)N[C@H]1CCOC(C)(C)C1)C(=O)OC2 96114952 GNVNPMSQXFIVMN-CQMBDMNQSA-N 431.529 3.722 0 40 IHAB biogenic CN(C)C(=O)c1sc2ncccc2c1[C@H]1CC[C@H](CNC(=O)CN2CCCCC2)CC1 100688416 GERRVRUHGZUEOQ-HDICACEKSA-N 442.629 3.874 0 40 IHAB CC(=O)c1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)c1 216454170 TYPZYVVRSSPOIO-NRFANRHFSA-N 428.554 3.502 0 40 IHAB COc1cccc(-c2noc(CNC(=O)C3CCN(Cc4ccc(Cl)cc4)CC3)n2)c1 219413614 ISPWCEABPNWMGE-UHFFFAOYSA-N 440.931 3.927 0 40 IHAB COc1cc(CNC(=O)CCCN2C(=O)c3cccc4cccc2c34)cc(OC)c1OC 219469209 TYHUFSVUJRLKKV-UHFFFAOYSA-N 434.492 3.922 0 40 IHAB COc1ccc2c(c1)[C@@H](NC(=O)c1cccc(S(=O)(=O)N3CCCC3)c1)CC(C)(C)O2 219979115 CEWGTYJLXXKBFD-FQEVSTJZSA-N 444.553 3.512 0 40 IHAB CC[C@H](C(=O)Nc1ccccc1Br)N(c1cccc(C)c1)S(C)(=O)=O 220497524 COCAJZGMBIEYHI-QGZVFWFLSA-N 425.348 3.941 0 40 IHAB CC[C@@H](C(=O)N(C)Cc1ccc(OC)cc1)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O 220724828 XUXARFWKNYUSQH-FQEVSTJZSA-N 438.977 3.860 0 40 IHAB COc1cccc(N(C)C(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1 222562143 OQVHENOFLFUSCW-UHFFFAOYSA-N 438.549 3.912 0 40 IHAB CCCC(=O)N(Cc1ccc(OC)cc1)[C@H](Cc1ccccc1)C(=O)NC[C@H]1CCCO1 223268974 MQHBWFCSEWBAMA-DNQXCXABSA-N 438.568 3.730 0 40 IHAB CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(Br)cc1 223801805 ZRQAIUAYKWZPNV-CQSZACIVSA-N 437.309 3.520 0 40 IHAB COc1cc(OC)cc(OCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NCC(C)C)c1 224133055 NHSWEWDGAUVQJG-IBGZPJMESA-N 442.556 3.581 0 40 IHAB CC[C@@H](C(=O)NCc1cccc(CN2CCCCC2)c1)N(c1ccccc1)S(C)(=O)=O 224677135 YWAKGQFBFBZSJF-QHCPKHFHSA-N 443.613 3.534 0 40 IHAB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2C)cc1C 225265024 BFTUKGDFAFXMKR-PKTZIBPZSA-N 449.580 3.799 0 40 IHAB COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)c2ccccc2O1 225904363 IOUMJKRXAIVOLK-UTKZUKDTSA-N 428.916 3.519 0 40 IHAB C[C@@H]1C[C@@H](C)CN(c2cc(Cl)nc(NC(=S)NCc3ccc4c(c3)OCCO4)n2)C1 226016112 DXCYKTJERLANCC-ZIAGYGMSSA-N 447.992 3.870 0 40 IHAB CCc1ccc([C@@H]2CC(c3ccc(OC)cc3)=NN2C2=NC(=O)[C@@H](CC(=O)O)S2)cc1 252492352 MJQAFDCFWMUFLY-VQTJNVASSA-N 437.521 3.881 0 40 IHAB COc1ccccc1CN1CCC[C@@H]1c1cc2nc(C)c(CCC(=O)NC3CC3)c(C)n2n1 257288754 PVLWKNFLUPPHPM-HSZRJFAPSA-N 447.583 3.903 0 40 IHAB O=C(c1ccccc1CN1CCCCC1)N1CCOC[C@@H](Cc2nccn3cccc23)C1 257295585 QYZYYECFQHRLFB-NRFANRHFSA-N 432.568 3.652 0 40 IHAB O=C1CO[C@@]2(CCCN(C(=O)c3cccc4cccnc34)CC2)CN1CCc1ccccc1 257306006 SSMLVRUBLNVGKI-HHHXNRCGSA-N 443.547 3.701 0 40 IHAB CCc1ccc(N([C@H](C)C(=O)NCCOc2ccccc2C(C)(C)C)S(C)(=O)=O)cc1 260922510 HBCHKQQRZDFROB-GOSISDBHSA-N 446.613 3.896 0 40 IHAB O=C1N(Cc2ccncc2)CCO[C@]12CN(Cc1ccccc1Cl)C[C@H]2c1cccnc1 306137469 QXHLOHRQTQHRIS-DHLKQENFSA-N 448.954 3.527 0 40 IHAB O=C(CN1C(=O)S/C(=C\c2c(F)cccc2Cl)C1=O)Nc1ccc2c(c1)OCO2 409155786 NEFZTTZNSVZLIE-APSNUPSMSA-N 434.832 3.883 0 40 IHAB Cc1ccc(-c2nnc([C@H](C)n3nnc([C@H]4CN(Cc5ccccc5)CCO4)n3)o2)cc1C 675149244 ANPQZJWRCAWBJO-GHTZIAJQSA-N 445.527 3.523 0 40 IHAB O=C(Nc1ccn(-c2ncccc2F)n1)N1CCc2ccc(F)c(Br)c2C1 1669500450 SVTLZGSZUJFKRP-UHFFFAOYSA-N 434.244 3.898 0 40 IHAB CCOC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccc(O)cc3)n2CC)c1 886727 KWBNLVWREZNABP-UHFFFAOYSA-N 426.498 3.578 0 40 IHAB Cc1cc2c(=O)n(NC(=O)[C@@H](C)n3nc(C(F)(F)F)c(Cl)c3C)c(C)nc2s1 2778062 FXVZKJGOBPLLRL-MRVPVSSYSA-N 433.843 3.583 0 40 IHAB O=C(CSc1nc2ccccc2c(=O)n1Cc1ccco1)Nc1ccc2c(c1)OCCO2 3372074 WJRUQIWFNJIWDM-UHFFFAOYSA-N 449.488 3.540 0 40 IHAB O=C(NC[C@H](c1cccs1)N1CCCC1)C1CCN(C(=O)Nc2ccccc2)CC1 7978481 GARCYQAMRPGMJG-HXUWFJFHSA-N 426.586 3.945 0 40 IHAB CCOC(=O)C1CCN(Cn2nc(-c3ccc(Cl)cc3)n(CCOC)c2=S)CC1 9127653 QPAMNJXQBBLBJS-UHFFFAOYSA-N 438.981 3.613 0 40 IHAB COc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2cc(Cl)ccc2C)cc1 9236861 FBEAFPRVGLIXEQ-QZTJIDSGSA-N 429.933 3.955 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCCn1ccc2ccccc21 9378706 NWSHLVIYEZYSBT-UHFFFAOYSA-N 425.554 3.554 0 40 IHAB Cc1ccccc1-n1nc2c(c1NC(=O)c1ccc(Br)cc1)C[S@](=O)C2 9413556 ADLIYOVLXLQQDQ-AREMUKBSSA-N 430.327 3.958 0 40 IHAB COc1ccc(-n2nc3c(c2NC(=O)c2cccc(C(F)(F)F)c2)C[S@](=O)C3)cc1 9413652 FTRLLVOHSUVJGG-SSEXGKCCSA-N 435.427 3.914 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(C(=O)O[C@H](C)C(=O)c2ccc(C)c(C)c2)ccc1OC 9443219 XSJAIXSVAUZKIZ-QGZVFWFLSA-N 447.553 3.771 0 40 IHAB Cc1cccc(NC(=O)CSc2nnc(-c3cc(-c4ccc(Cl)cc4)n[nH]3)n2N)c1 9451104 WEODXHHGVPPKOZ-UHFFFAOYSA-N 439.932 3.742 0 40 IHAB COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccc(Br)cc2)cc1 9584296 MKYQULNZXALEBA-SFHVURJKSA-N 440.301 3.977 0 40 IHAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)C(=O)Nc2ccccc2O3)c1 9827892 VSBDRNXQUXBKES-UHFFFAOYSA-N 426.450 3.863 0 40 IHAB O=C(Cc1csc(NS(=O)(=O)c2ccc(Cl)cc2)n1)Nc1ccc(F)cc1 9828524 GGMKQCNKMMCFGP-UHFFFAOYSA-N 425.894 3.918 0 40 IHAB COc1ccc(OC)c([C@@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3ncnn32)c1 9934711 PXBWATPTSWXPGR-LJQANCHMSA-N 425.876 3.876 0 40 IHAB O=C(CSc1nc(=O)n(Cc2ccncc2)c2c1CCCC2)Nc1ccc(F)c(F)c1 10186678 NEVFQUVHKHJWBU-UHFFFAOYSA-N 442.491 3.574 0 40 IHAB Cc1ccc(C)c(NC(=O)CSc2nc(=O)n(Cc3ccncc3)c3c2CCCC3)c1 10186694 YTEGWHYWKIUXAN-UHFFFAOYSA-N 434.565 3.913 0 40 IHAB O=C(NCCCSc1ccccc1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 10215562 JANJAOFXJNNURL-UHFFFAOYSA-N 430.551 3.670 0 40 IHAB Cc1ccc(C)c(N([C@@H](C)C(=O)Nc2ccc(Br)cc2)S(C)(=O)=O)c1 10331028 GPECBOHPVAAZPK-AWEZNQCLSA-N 425.348 3.859 0 40 IHAB CCCN1CCCc2cc(CCNC(=O)C(=O)Nc3cc(Cl)ccc3OC)ccc21 11613037 OQZIFONVPCBXGN-UHFFFAOYSA-N 429.948 3.809 0 40 IHAB CCOC(=O)[C@H]1[C@H](c2cccc(Oc3ccccc3)c2)NC(=O)N(C)[C@@]1(O)C(F)(F)F 11859202 ZSZKOKPABFKBKF-UWVAXJGDSA-N 438.402 3.605 0 40 IHAB COc1ccc(-c2c(C)c3ccc(OC(=O)N4CCOCC4)cc3oc2=O)cc1OC 11865105 KAKXZDUHNXGHML-UHFFFAOYSA-N 425.437 3.617 0 40 IHAB biogenic CCN(CC)c1ccc(NC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1 12515223 XDQJTKWCQJFXPU-UHFFFAOYSA-N 427.526 3.857 0 40 IHAB COc1ccc(OC)c(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)c1 12541967 DHCSKNZIXCHHHM-UHFFFAOYSA-N 427.404 3.709 0 40 IHAB COc1ccc(C(=O)C2CCN(C(=O)[C@@H](C)NC(=O)c3ccccc3Cl)CC2)cc1 12740079 GARFXJRJLNFQKE-OAHLLOKOSA-N 428.916 3.588 0 40 IHAB CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cc1cccc(F)c1 12764705 BUUWUMSBWRGKRM-UHFFFAOYSA-N 434.533 3.969 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(F)cc1Br 12776182 PUPRJHBHWDPQEM-UHFFFAOYSA-N 427.295 3.625 0 40 IHAB Cc1cc(N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)nc(C(C)C)n1 13020953 BURRJIRXCNDFBV-UHFFFAOYSA-N 429.373 3.726 0 40 IHAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)OCC(=O)N(Cc1ccccc1)C(C)(C)C)(C3)C2 13062512 DGBUQXFWWOWLFE-JGSRLKPESA-N 440.584 3.832 0 40 IHAB COc1ccc([C@@H](c2nnnn2C(C)C)N2CCN(c3nc4ccccc4s3)CC2)cc1 13504327 DZXOSNUJHYUMLG-NRFANRHFSA-N 449.584 3.784 0 40 IHAB COc1ccc(Cl)cc1NC(=O)C[C@H]1C(=O)Nc2nc(SCc3ccccc3)nn21 13720643 MTNJPPXZLVWLOU-HNNXBMFYSA-N 443.916 3.754 0 40 IHAB CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nc(=O)c3cnn(-c4ccc(C)cc4)c3[nH]2)c1 14200437 YRVGTZJLWAECRF-OAHLLOKOSA-N 447.520 3.739 0 40 IHAB CCCCC(=O)Nc1cccc(C(=O)OCc2cc(=O)n3nc(CC(C)C)sc3n2)c1 15771804 DSSBZIOPMICENR-UHFFFAOYSA-N 442.541 3.835 0 40 IHAB CCOc1ccccc1C(=O)N1CCCC[C@H]2CN(C(=O)CCCn3ccnc3C)C[C@H]21 19520099 QKEZVLOAULEFNE-RBBKRZOGSA-N 438.572 3.524 0 40 IHAB Cc1ncncc1C(=O)N1CCc2nc(-c3ccncc3)nc(Nc3ccccc3F)c2C1 19552988 VARUZDWWWWOLEO-UHFFFAOYSA-N 441.470 3.718 0 40 IHAB COc1ccc(CC(=O)NCc2ccc(-c3ccnc4nc(C(F)(F)F)nn34)cc2)cc1 19554434 LTUDISWJJSRDRT-UHFFFAOYSA-N 441.413 3.678 0 40 IHAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2ccc(SC)cc2)cc1Cl 20013974 FVMKDEKMNOYSFX-CYBMUJFWSA-N 442.990 3.568 0 40 IHAB CCN(CC(=O)N[C@H](C)c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1 20014009 QBOVOAHBLFLLGB-OAHLLOKOSA-N 439.375 3.646 0 40 IHAB COc1ccccc1[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCCCCC2)cc1 20021286 ZXSIKODKKRLIQF-SFHVURJKSA-N 446.569 3.516 0 40 IHAB COc1cccc(C(=O)C[C@@H]2c3c(c(Br)c4c(c3OC)OCO4)CCN2C)c1 20410437 CJTFTLNERNIELR-OAHLLOKOSA-N 448.313 3.997 0 40 IHAB biogenic O=C(c1ccccc1Nc1ccccc1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 23541741 CLDPVXORLXZVNF-XMMPIXPASA-N 443.503 3.555 0 40 IHAB C[C@@H](CNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)c1ccccc1 24037005 PGSOJSQBUNWRLG-SFHVURJKSA-N 426.513 3.941 0 40 IHAB O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccc(N2CCCS2(=O)=O)cc1 24758552 VZAQVBNZJJMSIG-UHFFFAOYSA-N 428.510 3.910 0 40 IHAB COc1ccccc1-c1cc(COC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)on1 26237577 ABVLZBPGNHAYDP-UHFFFAOYSA-N 433.464 3.810 0 40 IHAB O=C(CSc1nnc([C@H]2COc3ccccc3O2)o1)N1CCSc2ccccc21 26436387 LNHFOJQYVSXPEO-MRXNPFEDSA-N 427.507 3.813 0 40 IHAB Cc1ccc2nc(-c3cccs3)cc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)c2c1 27977005 PBUVVGFERALKAA-UHFFFAOYSA-N 437.546 3.849 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2ccc(Cl)cc2Cl)s1 30679758 VJLRQIMZQJMOOZ-HNNXBMFYSA-N 433.382 3.833 0 40 IHAB O=S(=O)(Nc1ccc(S(=O)(=O)C2CCCC2)cc1)c1cccc(Br)c1 31721756 OSAMGRLFLIRDMD-UHFFFAOYSA-N 444.372 3.966 0 40 IHAB O=C(NCCN1CCCCCC1=O)c1cccnc1Oc1ccc(Br)cc1 32310397 MZLALDUWPUUBCH-UHFFFAOYSA-N 432.318 3.769 0 40 IHAB COc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(C)c(C)c3)on2)N2CCOCC2)cc1 32623324 TZEKIPRAEGVTLE-HSZRJFAPSA-N 435.524 3.770 0 40 IHAB NC(=O)[C@H]1CCCN(Cc2cc(Br)cc3c2O[C@@H](c2ccccc2)OC3)C1 34891228 KMVNPNULZZJUFA-BTYIYWSLSA-N 431.330 3.754 0 40 IHAB O=C1CSc2ccc(C(=O)Nc3ccccc3NS(=O)(=O)c3cccs3)cc2N1 36831585 ITMYOBJPZBENCV-UHFFFAOYSA-N 445.547 3.845 0 40 IHAB COc1cccc(-c2noc(C3CCN(S(=O)(=O)c4ccc(C)c(C)c4)CC3)n2)c1 38651913 ATHRKVZRRYHOTP-UHFFFAOYSA-N 427.526 3.930 0 40 IHAB Cc1ccc2c(C)nc(Nc3nc(-c4cnc(N5CCCCC5)nc4C)cc(=O)[nH]3)nc2c1 39383654 FPENFPJLJHCEKN-UHFFFAOYSA-N 442.527 3.829 0 40 IHAB C[C@H](Oc1ccc(F)cc1Br)C(=O)NCc1ccn(-c2ccccc2F)n1 40150157 MTQWICKHBXODAJ-LBPRGKRZSA-N 436.256 3.997 0 40 IHAB Cc1cc2nc(CSc3nnc(NC(=O)Nc4ccccc4C)s3)cc(=O)n2o1 41089666 DMLGNARYBHZKHF-UHFFFAOYSA-N 428.499 3.692 0 40 IHAB Cc1nn(Cc2ccccc2)c(Cl)c1CS(=O)(=O)c1nnc(-c2cccs2)n1C 48354439 MZNTZBLFCJDKBU-UHFFFAOYSA-N 447.973 3.724 0 40 IHAB O=c1c(Cl)c(N2CCN(Cc3ccccc3)CC2)cnn1Cc1ccccc1Cl 57135024 SFOXWWFDSUYIOZ-UHFFFAOYSA-N 429.351 3.921 0 40 IHAB COc1ccc(NC(=O)Cn2c(=O)n(-c3cccc(Cl)c3)c(=O)c3sccc32)cc1 57491463 UCCMNYJGIDNGDR-UHFFFAOYSA-N 441.896 3.515 0 40 IHAB Cn1ccnc1-c1sc(NC(=O)c2nn(C)c(=O)c3ccccc23)nc1-c1ccccc1 58566527 PODNKUZJPMEMEI-UHFFFAOYSA-N 442.504 3.710 0 40 IHAB Cc1cc2nc(SCC(=O)N[C@H]3CCc4ccccc43)n(-c3ccccc3)c(=O)c2[nH]1 67236916 JVFCNZCVIJIARV-IBGZPJMESA-N 430.533 3.918 0 40 IHAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 71844355 UHYJRFLURFRWGM-GOTSBHOMSA-N 442.581 3.506 0 40 IHAB CCN(CC)C[C@H]1CCCC[C@@H]1NCc1nnc(C(=O)NCc2ccc(C)cc2)s1 95946106 AMJMOUZGVXPIDZ-UXHICEINSA-N 429.634 3.767 0 40 IHAB Cc1noc(-c2ccc(C(=O)NCCN3C(=O)S/C(=C/c4cccs4)C3=O)cc2)n1 96988882 MUQUXXRHPZPZEX-LFIBNONCSA-N 440.506 3.573 0 40 IHAB O=C1[C@@H]2[C@H](C(=O)N1c1cccc(Cl)c1)[C@H](c1ccc(Br)cc1)N1CCCN21 100812214 LTXBXKMAYZVNNP-SQNIBIBYSA-N 446.732 3.638 0 40 IHAB CN1CCN(Cc2ccccc2)C[C@H]1c1nnc2ccc(C(=O)Nc3ccccc3F)cn12 107281452 IIXKESDGITZSMU-QFIPXVFZSA-N 444.514 3.609 0 40 IHAB Cc1ccc(NC(=O)CSC(=S)N2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1Cl 113482196 IBQNBTXVSPVOAW-HUUCEWRRSA-N 448.013 3.886 0 40 IHAB COc1ccc(Br)c(C(=O)Nc2cnn(C[C@@H]3COc4ccccc4O3)c2)c1 207997198 HERGWUWIXVCVAU-OAHLLOKOSA-N 444.285 3.747 0 40 IHAB COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)N[C@H](C)c1ccc(C)cc1C)=C2C 219193642 DSVORTJYZLFWIO-MRXNPFEDSA-N 444.553 3.709 0 40 IHAB C[C@@H](C(=O)NCc1ccccc1Cl)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 220196744 QIQMXMHRSVPSTD-LBPRGKRZSA-N 434.867 3.830 0 40 IHAB CCc1ccc(N([C@@H](C)C(=O)Nc2ccc(Br)cc2)S(C)(=O)=O)cc1 220262689 BMPIKJJZPNDBMU-ZDUSSCGKSA-N 425.348 3.805 0 40 IHAB Cc1cccc2cc([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CCC[C@@H](C)C3)c(=O)[nH]c12 222469025 HXMYIZGYVFKGPW-MWTRTKDXSA-N 446.530 3.832 0 40 IHAB Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCOc4ccccc43)cc2)c1 222691151 BSVZACKXILEATO-UHFFFAOYSA-N 438.505 3.600 0 40 IHAB CC[C@@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(OC)cc1 223328609 ABEASUIGDWNUIO-IBGZPJMESA-N 439.339 3.934 0 40 IHAB C[C@@H](C(=O)NCCOc1cccc2ccccc12)N(c1ccc(Cl)cc1)S(C)(=O)=O 223527034 BGFHFRVSIMRQGG-INIZCTEOSA-N 446.956 3.843 0 40 IHAB COc1cc(NS(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)c(OC)cc1Cl 223646962 QATXSLVXOPLZTH-UHFFFAOYSA-N 430.935 3.838 0 40 IHAB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)COc1ccc(OC)cc1 224593560 KMFBTHMMEMJXGE-QHCPKHFHSA-N 426.557 3.962 0 40 IHAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1 225297705 PFTBBPUXTGATHX-KRWDZBQOSA-N 430.448 3.897 0 40 IHAB COC(=O)c1ccc(Cl)c(NC(=S)NCc2nc(-c3ccc(OC)cc3)no2)c1 225824147 CSYFDGUBFVIZOS-UHFFFAOYSA-N 432.889 3.672 0 40 IHAB CSc1nnc(NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)s1 225873649 DDLLJJXCHGUYPH-UHFFFAOYSA-N 448.595 3.711 0 40 IHAB CS(=O)(=O)N[C@@H](CC(=O)NC(c1ccccc1)c1ccccc1)c1ccc(F)cc1 225947922 YIZXATBZMUXSTP-NRFANRHFSA-N 426.513 3.712 0 40 IHAB CN(C)C(=O)c1sc2nccnc2c1[C@@H]1CCN(C(=O)c2ccc3ccccc3n2)C1 257242437 ICLYRPPKRDFUOK-OAHLLOKOSA-N 431.521 3.571 0 40 IHAB CNC(=O)c1cccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)c2cc(C)cs2)c1 257324668 WPQICHWNSBIJDE-SFHVURJKSA-N 443.569 3.850 0 40 IHAB Cc1nc2cc([C@@H]3CCN(Cc4cccnc4)C3)nn2c(C)c1CCC(=O)N1CCCCC1 257334592 YGPKSMSPIOOIOW-JOCHJYFZSA-N 446.599 3.676 0 40 IHAB COc1ccc(CNS(=O)(=O)c2ccc(OC)c(NC(=O)c3ccccc3F)c2)cc1 408556704 JGCWSRWOKMUCKG-UHFFFAOYSA-N 444.484 3.574 0 40 IHAB C[C@H](Oc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1)C(=O)NC1CCCCC1 408588323 FOQWYLKMURYKFE-SFHVURJKSA-N 430.570 3.724 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc(Cl)c2C)cc1 408663810 OFOJBHLRMCSMDX-UHFFFAOYSA-N 446.887 3.726 0 40 IHAB Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC=C[C@@H](C)[C@H]4C3=O)cc2)cc1C 408668653 VHYZSJNORNUKHB-FQQGMQMYSA-N 446.503 3.801 0 40 IHAB COc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2C)C1 408672449 ZDXRLBSYCARBBG-OAHLLOKOSA-N 430.888 3.500 0 40 IHAB C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408704054 JDTYSIRPCSBWOD-NSHDSACASA-N 445.324 3.558 0 40 IHAB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc(OC)c1OC 408869276 QIZXRNJDCPAXLN-YVLHZVERSA-N 446.456 3.527 0 40 IHAB COC(=O)c1cc(NC(=O)COC(=O)c2ccc(-c3ccc(C=O)o3)cc2)ccc1Cl 409181463 AXXBTDOWCTUULS-UHFFFAOYSA-N 441.823 3.995 0 40 IHAB COC(=O)CN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)N(C)C1=S 409212942 SKRXRMIRMLBYTL-JYRVWZFOSA-N 425.293 3.826 0 40 IHAB COc1cc2c(cc1OC)[C@H](NC(=O)COc1ccc3c(C)c(C)c(=O)oc3c1C)CC2 524729174 GZYZYDBVADMVHC-LJQANCHMSA-N 437.492 3.918 0 40 IHAB biogenic CCC[C@]1(CCN2C(=O)[C@H](C(N)=O)[C@H]3C[C@@]2(C)Oc2ccccc23)CCOC(C)(C)C1 524731082 JSBRXIVDTSTYFJ-BPHUOMJKSA-N 428.573 3.978 0 40 IHAB biogenic O=C(c1ccc(C(F)(F)F)nc1)N1CCC(Cn2nc(-c3ccccc3)ccc2=O)CC1 585147546 OADVTIPJWSUGSK-UHFFFAOYSA-N 442.441 3.877 0 40 IHAB CN1CCOc2ccccc2CCCC[C@]2(CN(C(=O)/C=C/c3ccccc3)CCO2)C1=O 643557496 WRSAXOQMRDSFIA-RTHBMQBDSA-N 448.563 3.561 0 40 IHAB COCCNC(=O)c1ccc2c(c1)Cc1cccc(c1)CN(CC(C)C)CCOCCO2 643579675 AHLVVLGDNLPWRS-UHFFFAOYSA-N 440.584 3.521 0 40 IHAB Cc1ccc(-c2nnc([C@H](C)n3nnc([C@@H]4CN(Cc5ccccc5)CCO4)n3)o2)cc1C 675149247 ANPQZJWRCAWBJO-RXVVDRJESA-N 445.527 3.523 0 40 IHAB CCOc1ccc2[nH]c(=O)c(CN(Cc3ccco3)Cc3nnnn3C3CCCC3)cc2c1 927956 JSEDGCCAHAFDEV-UHFFFAOYSA-N 448.527 3.824 0 40 IHAB CCOC(=O)c1csc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)n1 2699335 JYBVTOVDXBTSNF-UHFFFAOYSA-N 445.522 3.681 0 40 IHAB CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(Br)o2)sc2c1CCC2 3577993 IEOSWFAZYJTSJG-UHFFFAOYSA-N 442.287 3.565 0 40 IHAB CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2[C@@H](C)CCC[C@H]2C)cc1 4895702 BAEJJFKZRPSGHJ-FGTMMUONSA-N 428.620 3.591 0 40 IHAB O=C(CSc1ncccc1C(=O)NCc1ccc(F)cc1)Nc1ccc2c(c1)OCO2 8966092 HCOAQTOQDFQQSZ-UHFFFAOYSA-N 439.468 3.610 0 40 IHAB Cc1nc2scc(-c3cccs3)c2c(=O)n1CC(=O)Nc1ccc2c(c1)OCO2 9128402 YDXOWDCCUNYFCB-UHFFFAOYSA-N 425.491 3.862 0 40 IHAB CC[C@@H](C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)n1cnc2ccccc2c1=O 9187858 ORSZVJOZJVYPPV-FQEVSTJZSA-N 444.457 3.715 0 40 IHAB Cc1cc(OCC(=O)N(Cc2cccc(Cl)c2)[C@@H]2CCS(=O)(=O)C2)ccc1Cl 9191192 HDNOEZFXVUVNKJ-QGZVFWFLSA-N 442.364 3.897 0 40 IHAB CCOc1ccc(NC(=O)[C@H]2Sc3nnc(CC)n3N[C@@H]2c2ccc(F)cc2)cc1 9239315 KHBYPWIZBOQYLB-MOPGFXCFSA-N 427.505 3.776 0 40 IHAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2sc3nc(C)cc(C)c3c2N)c1 9438597 NLOZXSZNSGOTSN-UHFFFAOYSA-N 432.571 3.778 0 40 IHAB O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CCN(c2ccc(O)cc2)CC1 9608953 LUORDLNDXRENMN-UHFFFAOYSA-N 425.492 3.602 0 40 IHAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cccc(Oc2ccccc2)c1 9630891 OYNSRSWAJVBMNC-UHFFFAOYSA-N 438.505 3.752 0 40 IHAB Cc1cccc2nc(CSc3nnc(-c4cccs4)n3C[C@H]3CCCO3)cc(=O)n12 9634129 XGWFPIFBPUIWQZ-MRXNPFEDSA-N 439.566 3.794 0 40 IHAB Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)OCc1nnnn1-c1ccccc1 9812372 ROCGKTKZALISHA-UHFFFAOYSA-N 443.294 3.879 0 40 IHAB COc1ccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)[C@@H](c3cccc(F)c3)C2)cc1 9971281 IEABBDXAWQVRDL-JOCHJYFZSA-N 425.485 3.837 0 40 IHAB COc1ccc([C@H]2CCCN2C(=O)C2CCN(C(=O)c3cccs3)CC2)c(OC)c1 11337016 YMMXZYFAPDKMSA-LJQANCHMSA-N 428.554 3.981 0 40 IHAB COc1cc2cc(N)c([C@@H]3CCCN(C(=O)c4ccc5c(c4)OCO5)C3)nc2cc1OC 12232200 VQYQXGVZIJNHLT-OAHLLOKOSA-N 435.480 3.583 0 40 IHAB CCOc1ccc(-c2nc(S(=O)(=O)c3ccc(F)cc3)c(N3CCOCC3)o2)cc1 12419331 UUPWVAOBNLWMNB-UHFFFAOYSA-N 432.473 3.549 0 40 IHAB NC(=O)c1ccc(N2CCCCC2)c(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)c1 12545373 ZROAZPUTVGMWLB-UHFFFAOYSA-N 447.539 3.772 0 40 IHAB C[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)c1ccc2c(c1)NC(=O)CO2 12741690 OJBPULLJLAMBBH-LBPRGKRZSA-N 440.550 3.960 0 40 IHAB Cc1ccccc1OCCN(C)C(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3 12746605 UNGSWRMGBAVTHK-UHFFFAOYSA-N 443.594 3.552 0 40 IHAB CNC(=O)c1ccc(NC(=O)C(=O)c2c(C)nn(-c3cccc(C(F)(F)F)c3)c2C)cc1 12769399 AUGKOFZGGIVDAX-UHFFFAOYSA-N 444.413 3.689 0 40 IHAB O=C(CCn1cnc2ccc(Br)cc2c1=O)NCCc1cccc(Cl)c1 12772945 AWPTYGVGDYTWCT-UHFFFAOYSA-N 434.721 3.561 0 40 IHAB CCCc1ccc(S(=O)(=O)N2CCN(Cc3nc(-c4ccc(C)cc4)no3)CC2)cc1 13038332 MUNBNCLOZOSURI-UHFFFAOYSA-N 440.569 3.504 0 40 IHAB O=C(Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2sccc21)Nc1ccccc1Cl 13533296 OQAXQIDANGDOQW-UHFFFAOYSA-N 443.887 3.704 0 40 IHAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(NC(=O)c2cccs2)cc1 14075694 HXYSCOANJVJRPD-UHFFFAOYSA-N 432.505 3.899 0 40 IHAB COc1ccc(N(CCC(N)=O)C(=O)c2cc3c(C)nn(Cc4ccccc4)c3s2)cc1 14199869 BZACEHFMTVPCHS-UHFFFAOYSA-N 448.548 3.985 0 40 IHAB Cc1cc(C)cc(NC(=O)[C@H](c2ccccc2)N2CCN(C(=O)c3ccncc3)CC2)c1 14201399 ARNBTPHFYAHXEG-DEOSSOPVSA-N 428.536 3.836 0 40 IHAB C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)C[C@@H](C)O1 14429975 XHXITPYKOYXGCN-ZIAGYGMSSA-N 442.459 3.756 0 40 IHAB O=C(/C=C/c1ccc(Br)s1)NCc1nnc2ccc(C(F)(F)F)cn12 14702281 KHCDHCILZQUPCB-ZZXKWVIFSA-N 431.237 3.902 0 40 IHAB COc1ccc(NC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cc1OC 15390871 NYFBWCAYXANJRE-SFHVURJKSA-N 432.542 3.584 0 40 IHAB COc1ccccc1[C@@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCCCC2)c1 15967232 NXMYSNXFWMLVFI-QGZVFWFLSA-N 446.569 3.760 0 40 IHAB COC(=O)c1ccc(NC(=O)CCc2csc(NC(=O)NC3CCCCC3)n2)cc1 16849242 XFFFBHVXJIAIPX-UHFFFAOYSA-N 430.530 3.955 0 40 IHAB COc1cccc(C(=O)N2CC[C@](Cc3ccccc3-c3cccnc3)(C(=O)N(C)C)C2)c1 19580143 BGGNEJKZVIZZCK-HHHXNRCGSA-N 443.547 3.920 0 40 IHAB O=C(Cn1cccc(C(=O)Nc2ccc(F)cc2)c1=O)Nc1nc2c(s1)CCCCC2 19749943 ZWRMYXHWNYTBPC-UHFFFAOYSA-N 440.500 3.604 0 40 IHAB COc1ccc(-c2nnc(SCC(=O)Nc3cccc(Br)c3)n2C)cc1 19810578 HBVFLRWMXHPAGC-UHFFFAOYSA-N 433.331 3.984 0 40 IHAB CCN(CC)C(=O)[C@@H](C)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3ccccn3)[C@@H](C)[C@@H]2[C@H]1O 20467169 AOTYVNZEUUZDSF-NMWWFTPNSA-N 429.605 3.508 0 40 IHAB biogenic,in-vitro O=C(OCc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2)c1ccc(-n2cnnn2)cc1 21228871 WIITUHBJCXBJTJ-QHCPKHFHSA-N 432.411 3.766 0 40 IHAB CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(Cl)cc2C(F)(F)F)Oc2ccccc21 22515621 JPTXCOIRZWWOKP-HNNXBMFYSA-N 434.823 3.525 0 40 IHAB Cc1ccccc1-c1noc(CN2N=N[C@H]3C(=O)N(c4ccc(C(C)C)cc4)C(=O)[C@@H]32)n1 23126564 AEJGYEDVKNVTJQ-WOJBJXKFSA-N 430.468 3.662 0 40 IHAB COc1ccc(F)cc1CN1CCN(C(=O)CSc2nc3ccccc3s2)CC1 24386927 RASUXYOBFNQAFE-UHFFFAOYSA-N 431.558 3.881 0 40 IHAB O=C(Cc1csc(N2CCCC2=O)n1)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 24730346 ACMYFEPPJFFVLF-FQEVSTJZSA-N 445.548 3.789 0 40 IHAB O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)[C@H](Cc1ccccc1)n1cnnn1 26069469 RFMRACXIEVPMEN-DEOSSOPVSA-N 449.518 3.626 0 40 IHAB COc1ccccc1[C@H](CNC(=O)c1cc(=O)c2cc(Br)ccc2o1)N(C)C 28288230 KIARAHVMZVSZIX-INIZCTEOSA-N 445.313 3.597 0 40 IHAB O=C(CCC(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccc(Br)cc1 29317332 ISDOOGFAWKBUJC-UHFFFAOYSA-N 447.304 3.536 0 40 IHAB CC[C@@H](NC(=O)CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1)c1ccc(C)cc1 32888420 JSAIOFHUUDSERD-JOCHJYFZSA-N 436.552 3.928 0 40 IHAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N(Cc2cccnc2)Cc2ccco2)c1 32905891 KHOJDQLCBWTGOH-UHFFFAOYSA-N 427.526 3.548 0 40 IHAB O=C(NCCc1ccccc1)[C@H](c1ccco1)N(C(=O)c1csnn1)c1ccccc1 35292262 CWGRMJCBFFEVMB-NRFANRHFSA-N 432.505 3.878 0 40 IHAB CN1CCN(c2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)[C@H](c2ccccc2)C1 36392227 RPZVXLDOMUCXRK-KRWDZBQOSA-N 449.864 3.793 0 40 IHAB COC(=O)[C@H](CC(C)C)NC(=O)c1nc(SCc2ccc(F)cc2)ncc1Cl 41097963 KXGSRTPKDUFEGG-HNNXBMFYSA-N 425.913 3.879 0 40 IHAB COc1cccc(-c2noc(Cn3c(=O)n(-c4ccccc4C)c(=O)c4sccc43)n2)c1 48986988 LUZZWEKHZJULHW-UHFFFAOYSA-N 446.488 3.629 0 40 IHAB CCc1nnc2sc(-c3cccc(NC(=S)NC(=O)c4cccc(OC)c4)c3)nn12 57316304 DZRIEHDYYOQTLU-UHFFFAOYSA-N 438.538 3.551 0 40 IHAB COCCn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nc2ccsc2c1=O 57425778 REQCPXBHMXNVMX-UHFFFAOYSA-N 427.910 3.628 0 40 IHAB Cc1cc(-n2c(SCC(=O)NCc3ccco3)nc3ccsc3c2=O)ccc1F 57428610 ZNCRZLDNRCLBFS-UHFFFAOYSA-N 429.498 3.896 0 40 IHAB CCOCCCNc1nc(-c2ccncc2)nc2c1CCN(Cc1ccc(OC)cc1)C2 57743635 OHYQCKKLJXWRCA-UHFFFAOYSA-N 433.556 3.944 0 40 IHAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(Sc2ccccn2)cc1 65575709 RNOIRYFTGGNZNR-UHFFFAOYSA-N 446.532 3.758 0 40 IHAB CC(C)(C)c1nc(CN2CCC([C@H]3CCCCCN3C(=O)C3CCOCC3)CC2)no1 69981923 BWWZLHYVDPLYIA-HXUWFJFHSA-N 432.609 3.777 0 40 IHAB O=C(Nc1nc2c(s1)CN(S(=O)(=O)c1ccc(Cl)s1)CC2)c1cccs1 70638683 UZZRJOGHUYOGOF-UHFFFAOYSA-N 446.000 3.919 0 40 IHAB Cc1cc(C)n(-c2ccc3nnc(CCC(=O)Nc4ccc(Cl)cc4Cl)n3n2)n1 71282905 AJOSLCJEYDZZGB-UHFFFAOYSA-N 430.299 3.805 0 40 IHAB COc1ccc(-c2nc(-n3cccc3)sc2C(=O)N2CCN(c3ccccn3)CC2)cc1 71283068 HMEBENFEERBLOO-UHFFFAOYSA-N 445.548 3.967 0 40 IHAB COCCN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1)[C@@H]1CCSC1 95446682 YUOVSKVBIIHUEM-WBVHZDCISA-N 435.640 3.941 0 40 IHAB CC[C@H](C)n1cnc(S(=O)(=O)N(Cc2ccccc2)C[C@H](O)c2cccc(OC)c2)c1 95462020 AKUXIFWXCWERAH-AVRDEDQJSA-N 443.569 3.787 0 40 IHAB COc1ccc(CN2CCC[C@@]23CCCN(S(=O)(=O)Cc2ccccc2)C3)cc1F 96089532 VGGMJAKHWNIWOG-QHCPKHFHSA-N 432.561 3.795 0 40 IHAB COc1cccc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)c1OC 100994686 PXSJQVJGJHFENU-FUDKSRODSA-N 430.460 3.755 0 40 IHAB CC1CCN(C(=O)c2ccc(NC3=C(Cl)C(=O)N(Cc4ccccc4)C3=O)cc2)CC1 102746830 MKJSJFKNBKFPPA-UHFFFAOYSA-N 437.927 3.990 0 40 IHAB CC[C@H](C(=O)NCCCc1ccc(OC(C)C)cc1)N(c1ccccc1)S(C)(=O)=O 219084008 BXRYRNCMQJAXKW-JOCHJYFZSA-N 432.586 3.767 0 40 IHAB COc1cccc(N([C@@H](C)C(=O)Nc2ccc(OC3CCCC3)cc2)S(C)(=O)=O)c1 220180976 RLSMBZJMHHKJRA-INIZCTEOSA-N 432.542 3.810 0 40 IHAB C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)N(c1ccccc1F)S(C)(=O)=O 220311137 CSWQISSZQLLFRK-KRWDZBQOSA-N 426.513 3.886 0 40 IHAB CC[C@H](C(=O)NCCSCc1cccc(C)c1)N(c1ccccc1F)S(C)(=O)=O 220592509 RSJCKGPURCORCL-LJQANCHMSA-N 438.590 3.728 0 40 IHAB CCN(c1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3ccc(OC)cc32)cc1)S(=O)(=O)CC 222403097 FYWYINGPQPGINU-HXUWFJFHSA-N 446.569 3.903 0 40 IHAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc(OC)cc1 223240572 JCQYVVZBXRYGJU-IBGZPJMESA-N 439.339 3.934 0 40 IHAB CCCc1ccc(OCCNC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)cc1 224642802 GZMKYEPGXQOHKM-UHFFFAOYSA-N 432.586 3.689 0 40 IHAB CC[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 224962382 GEFNWCPJEWLQLA-NRFANRHFSA-N 433.549 3.999 0 40 IHAB CCc1ccc(CC)c(CNC(=O)CN(c2ccc(C(F)(F)F)cc2)S(C)(=O)=O)c1 225129486 ZZHTWYIYKCGUTR-UHFFFAOYSA-N 442.503 3.913 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCSCc3cccc(C)c3)CC2)cc1 225476850 HPQXUXORLHXGSK-UHFFFAOYSA-N 446.638 3.754 0 40 IHAB O=C(Nc1ccc(OCCN2CCOCC2)cc1)C1(c2ccccc2Cl)CCOCC1 225577065 NPUYNJYCWFOUAJ-UHFFFAOYSA-N 444.959 3.738 0 40 IHAB COC(=O)c1ccccc1NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 247868666 YUOIAYRLBBSYDX-UHFFFAOYSA-N 445.313 3.727 0 40 IHAB CCn1cc(CN2CCO[C@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)[nH]n3)C2)cn1 257223507 DXQJYAPKIBQHIP-NRFANRHFSA-N 449.477 3.840 0 40 IHAB Cc1ccc(CSCCNC(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 408547726 MAEZQPWFMGIHQD-LJQANCHMSA-N 434.627 3.816 0 40 IHAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc(Cl)c1OCc1cccc(C)c1 408593835 RORJSOCKYCQNNV-RQZCQDPDSA-N 444.871 3.603 0 40 IHAB CCCCCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1Cl 408635566 DYVOVHLKWVEXMT-UHFFFAOYSA-N 440.949 3.835 0 40 IHAB Cc1cccc(N(CC(=O)NCCSCc2ccccc2Cl)S(C)(=O)=O)c1C 408923843 HGORQGSSGMJOJE-UHFFFAOYSA-N 441.018 3.772 0 40 IHAB COc1ccc([C@@H]2[C@@H](NC(=O)c3ccc(Cl)cc3)C(=O)N/[N+]2=C\c2ccc(C)cc2)cc1 409060777 VXGZGEGTFIHMPZ-VNGKGULCSA-O 448.930 3.673 0 40 IHAB CCOc1ccc(Cl)cc1/C=C1\NC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O 409093506 AENVAEQLNPYADR-YBEGLDIGSA-N 434.279 3.924 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1NS(=O)(=O)CCC1CC1 534597945 CKEPRBTZTSXQLZ-UHFFFAOYSA-N 444.962 3.691 0 40 IHAB Cc1cc(C)n([C@@H](CNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c2cccs2)n1 575609597 DOYALJXEGAHUBY-INIZCTEOSA-N 436.459 3.925 0 40 IHAB COCCOc1cc(CN2CCC(O)(COc3cccc(Cl)c3)CC2)ccc1OC 585270684 OSESXCBQNJYOQK-UHFFFAOYSA-N 435.948 3.780 0 40 IHAB CN1[C@@H]2CCNc3ccccc3CN(C(=O)CCn3ccc(C(F)(F)F)n3)C[C@H]1CC2 643589306 UMOQINRBEYNVFI-ZWKOTPCHSA-N 435.494 3.599 0 40 IHAB O=C(N[C@H]1CCCN(c2ccccc2F)C1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 677840610 RBOICKWDKXVUFM-INIZCTEOSA-N 436.936 3.571 0 40 IHAB Cn1cc(CN2CCC(N3C(=O)NCCc4ccccc4[C@H]3c3ccccc3)CC2)cn1 1615530221 SSYVZVCTLIIIJG-RUZDIDTESA-N 429.568 3.742 0 40 IHAB O=C(Cc1ccccc1Br)N1CC[C@@H](Oc2ccncc2Br)C1 1775972542 KBSNGBQTBXKUCI-CYBMUJFWSA-N 440.135 3.829 0 40 IHAB Cc1ccc(S(=O)(=O)N(Cc2cc3cc(C)c(C)cc3[nH]c2=O)C[C@@H]2CCCO2)cc1 915007 NNJNFYZIEKBKSM-NRFANRHFSA-N 440.565 3.823 0 40 IHAB Cc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)Cc3nnnn3C(C)(C)C)cc2c1 925642 NTMTWZHNNRBCAW-UHFFFAOYSA-N 430.556 3.823 0 40 IHAB COc1cc(-c2nnc(SCC(=O)N3c4ccccc4C[C@@H]3C)o2)cc(OC)c1OC 929530 FCJMPPAXXAMHJK-ZDUSSCGKSA-N 441.509 3.832 0 40 IHAB O=C(OCc1ccc2c(c1)OCO2)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 2651872 UXTDFZZZBQRHLK-UHFFFAOYSA-N 437.473 3.524 0 40 IHAB NC(=O)c1c(NC(=O)COC(=O)C2(c3ccc(Cl)cc3)CCCC2)sc2c1CCC2 2653058 OPPYQENVHDMPHK-UHFFFAOYSA-N 446.956 3.983 0 40 IHAB Cc1nn([C@@H](C)c2nc3c4cnn(-c5ccccc5)c4ncn3n2)c(C)c1Br 2808951 FWJVCJZZKGIVDR-ZDUSSCGKSA-N 437.305 3.648 0 40 IHAB NC(=O)c1c(NC(=O)CSc2ncnc3sc4c(c23)CCC4)sc2c1CCC2 2889050 YDCDBBQQUVJZMG-UHFFFAOYSA-N 430.580 3.560 0 40 IHAB Cc1csc(SCc2ccc(C(=O)NN3C(=O)NC4(CCCCC4)C3=O)cc2)n1 3358572 OQJKRTULJDSEDC-UHFFFAOYSA-N 430.555 3.643 0 40 IHAB COc1ccccc1NC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1C[C@H]1CCCO1 3534013 SRYFJOMVAXRWPZ-JKSUJKDBSA-N 439.537 3.703 0 40 IHAB CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccc(Br)cc2)NC(=O)N1 4066277 BCMOSAMLFLEOEP-GOSISDBHSA-N 431.286 3.699 0 40 IHAB COc1cc([C@@H]2c3cc4c(cc3O[C@@](C)(OC)[C@H]2C(C)=O)OCO4)cc(OC)c1OC 5663569 ZQFDPMHEBRRVRC-FUPPJEDESA-N 430.453 3.533 0 40 IHAB CCn1c(SCc2cc(C)ccc2C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 6346843 GZDOHFQYUMUVMD-UHFFFAOYSA-N 445.610 3.986 0 40 IHAB CCN(CC)c1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2N)cc1 8622142 NQKZUPQATLNZNU-UHFFFAOYSA-N 430.965 3.889 0 40 IHAB C[C@H](Sc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 8756848 VAVDIVFEGZVGCT-ZDUSSCGKSA-N 432.502 3.536 0 40 IHAB COc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)[C@H](C(=O)C(C)(C)C)N1C=Cc3ccccc3[C@H]21 8914900 TVGKUGGUPLPVIQ-FNAHDJPLSA-N 430.504 3.826 0 40 IHAB O=C1N[C@@H](c2ccc(C(F)(F)F)cc2)[C@@H](C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 9086844 OIZHACYCJSJBLX-GRDNDAEWSA-N 432.320 3.809 0 40 IHAB COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc(Cl)nc3)ccc2OC)cc1 9511927 PWSXGVXMYYCMFN-UHFFFAOYSA-N 447.900 3.805 0 40 IHAB CCN(Cc1ccc2c(c1)OCO2)C(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 9670382 UTLQJIMZLFGOHR-UHFFFAOYSA-N 447.516 3.902 0 40 IHAB O=C(COC(=O)CSc1nnc(NC2CCCCC2)s1)NCCC1=CCCCC1 9962272 PSMPZVMEMLFYQV-UHFFFAOYSA-N 438.619 3.925 0 40 IHAB C[C@H](Sc1nncn1CCc1cccs1)C(=O)N1c2ccccc2NC(=O)C1(C)C 11107442 DSLOHFXPOBPFHU-AWEZNQCLSA-N 441.582 3.827 0 40 IHAB Cc1cc(C(=O)CSc2nnnn2Cc2ccco2)c(C)n1Cc1ccc(F)cc1 11310856 XDYLZIZKRQTFIK-UHFFFAOYSA-N 425.489 3.895 0 40 IHAB O=C1N[C@@]2(C[C@@H]3CC[C@H]2C[C@@H]3C(=O)N2CCC(c3ccncc3)CC2)Nc2ccccc21 12142536 PPKIIDSMOHUKKU-QHEFXJGPSA-N 430.552 3.776 0 40 IHAB CC[C@@H]1CCc2sc(C(=O)N(C)CC(=O)Nc3ccc(N4CCOCC4)cc3)cc2C1 12527369 VKJDTCDKHRBOJG-QGZVFWFLSA-N 441.597 3.810 0 40 IHAB CC(=O)Nc1ccc(-c2csc(NC(=O)[C@H]3CC(=O)N(c4ccccc4F)C3)n2)cc1 12754579 FBIBXIFUNQHEGE-HNNXBMFYSA-N 438.484 3.899 0 40 IHAB COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1cc2cnn(C(C)C)c2nc1C 12756278 YAWZOWGARXGYNF-UHFFFAOYSA-N 429.908 3.693 0 40 IHAB Cc1ccc(-n2c(S[C@H](C(=O)NC(N)=O)C(C)C)nc3cc(Cl)ccc3c2=O)cc1 12760452 CFBICUSRGMFJFO-KRWDZBQOSA-N 444.944 3.659 0 40 IHAB CC(C)CCNc1nc(C(=O)OCc2cc(=O)n3c4c(sc3n2)CCCC4)cs1 12766026 NFFMGHFNBOOLRH-UHFFFAOYSA-N 432.571 3.906 0 40 IHAB CC(=O)Nc1ccc(-c2csc(NC(=O)[C@@H]3CC(=O)N(CCc4ccccc4)C3)n2)cc1 12797359 NDRZTHIPAHPKFQ-LJQANCHMSA-N 448.548 3.798 0 40 IHAB COc1ccc(N2C(=O)C(=O)N(CN3CCc4sccc4[C@@H]3c3ccccc3)C2=O)cc1 12799092 HAMYWHNRPCRIBW-NRFANRHFSA-N 447.516 3.657 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3nc4c(s3)C[C@H](C)CC4)C2)s1 12858222 HVSHUQRIZMCHFY-OCCSQVGLSA-N 439.628 3.677 0 40 IHAB CN(CC(=O)Nc1cccc(F)c1)CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 12879542 NEXWBYCZTILPOX-UHFFFAOYSA-N 434.443 3.736 0 40 IHAB Cc1cc(C)cc(OS(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)c1 13012254 ZABOEIFQJYUTTK-UHFFFAOYSA-N 425.293 3.924 0 40 IHAB O=C(CN1CCN(C(=O)c2ccccc2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 13032038 QQLMSXXWAPKDAA-UHFFFAOYSA-N 425.838 3.755 0 40 IHAB O=S(=O)(c1cccc(CN2CCC[C@@H]2c2nc3ccccc3s2)c1)N1CCOCC1 13113386 UFQKFUWARJLZEA-HXUWFJFHSA-N 443.594 3.654 0 40 IHAB Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2cccs2)cc1I 14021288 KEUCLXCSXQFUAS-CQSZACIVSA-N 440.306 3.904 0 40 IHAB COc1ccc([C@@H](NS(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)c2ccccc2)cc1 14071457 OEGCOQMDAOBDFB-QHCPKHFHSA-N 440.521 3.730 0 40 IHAB COc1cc(C)c(NC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1OC 14084896 ZENGVXCFAWGGCD-UHFFFAOYSA-N 432.542 3.685 0 40 IHAB O=C(OCC(=O)C12CC3CC(CC(C3)C1)C2)c1cc(I)ccc1O 15912672 LDLDHQVZFJYEGD-UHFFFAOYSA-N 440.277 3.939 0 40 IHAB CC(C)C(=O)N1CCCc2cc([C@@H](O)CN3CCC(COc4ccccn4)CC3)ccc21 19085724 PKSBJTWIUYPMJS-DEOSSOPVSA-N 437.584 3.841 0 40 IHAB COc1cccc([C@H]2CN(C(=O)c3ccccc3)[C@@H]3CCN(C(=O)c4ccccn4)C[C@H]23)c1 19566281 CDSGXGYXARASSG-VDKIKQQVSA-N 441.531 3.861 0 40 IHAB COc1cc(C)c(CN2CC[C@H](c3nc(N(C)C)ncc3-c3cnn(C)c3)C2)c(C)c1C 19693189 SEELMRWDXSCVCY-IBGZPJMESA-N 434.588 3.866 0 40 IHAB CNC(=O)c1cc([C@H]2CN(Cc3c[nH]nc3-c3ccccc3)CCO2)nc2ccccc12 19762373 BKCNGFRPVPRMDZ-HSZRJFAPSA-N 427.508 3.558 0 40 IHAB COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccccc1OC(F)F 20133595 ZDQDGUZXSPZLSX-SFHVURJKSA-N 427.411 3.816 0 40 IHAB COc1cccc(-n2cnnc2SCC(=O)Nc2cc(C)nn2-c2ccc(C)cc2)c1 21385160 GXPQGIMNWRPBFG-UHFFFAOYSA-N 434.525 3.809 0 40 IHAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C(C)C)cc3)n2N)c(OC)c1 21576032 RIGBMJPFJDUVFT-UHFFFAOYSA-N 427.530 3.530 0 40 IHAB O=C(Nc1cccc(-n2cnnn2)c1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F 22276803 VZAZQZHLQRETGL-UHFFFAOYSA-N 433.781 3.773 0 40 IHAB O=C(c1ccccc1)c1ccc(OC[C@@H](O)CN2CCN(c3ccc(F)cc3)CC2)cc1 22608864 HUVKXFPWQGYNJA-DEOSSOPVSA-N 434.511 3.619 0 40 IHAB C[C@H](CNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)c1ccccc1 24034396 BTFLDGMPILOLFC-GOSISDBHSA-N 426.513 3.941 0 40 IHAB O=C(OCc1cc(Cl)c2c(c1)OCCO2)c1ccc2c(=O)n3c(nc2c1)CCCCC3 26040588 JTDSVNWIJPTEBK-UHFFFAOYSA-N 440.883 3.905 0 40 IHAB COc1ccc(-n2c(SCC(=O)Nc3ccc4c(c3)OCO4)nnc2-n2cccc2)cc1 28534715 BYJSMAKCEHJRPF-UHFFFAOYSA-N 449.492 3.526 0 40 IHAB Cc1c(C(=O)OCC(=O)N(C)[C@@H](C)c2ccccc2)cnn1-c1ccc(C(F)(F)F)cn1 29012936 VCXIKOCFMDDBBQ-AWEZNQCLSA-N 446.429 3.971 0 40 IHAB Cc1ccc(-c2nc(C)sc2CC(=O)N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 29481823 DESLBESSUYCITQ-HNNXBMFYSA-N 443.594 3.836 0 40 IHAB Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)N[C@@H](C)C34CC5CC(CC(C5)C3)C4)cn2)n1 32912302 ZUBFYENOCLSNGV-SELVFMLMSA-N 436.556 3.762 0 40 IHAB Cc1cc(C(=O)Nc2ncn(Cc3ccccc3)n2)c2c(C)nn(Cc3ccccc3)c2n1 36616951 CPQIHWLXPXLBNG-UHFFFAOYSA-N 437.507 3.989 0 40 IHAB O=c1c2cnc(N3CCN(c4ccccc4)CC3)nc2ccn1Cc1ccccc1Cl 39383797 VVZNICKODYOGRX-UHFFFAOYSA-N 431.927 3.820 0 40 IHAB O=C(Oc1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 40159979 WKXSXBUSKJWCBZ-UHFFFAOYSA-N 448.335 3.656 0 40 IHAB Cc1cc2nc(COC(=O)c3ccc(C)c(NC(=O)c4ccc(F)cc4)c3)cc(=O)n2o1 41089561 WTSDODQNIRTRGH-UHFFFAOYSA-N 435.411 3.653 0 40 IHAB CCc1cccc(NC(=O)Cn2c(=O)n(-c3ccc(F)c(C)c3)c(=O)c3sccc32)c1 57494468 CQEDNPORHJFJQC-UHFFFAOYSA-N 437.496 3.863 0 40 IHAB CN(Cc1ccccc1)c1nc2ncn(CC(=O)Nc3ccc(Cl)cc3)c(=O)c2s1 67225748 ZHQZTGIGQWEBTM-UHFFFAOYSA-N 439.928 3.782 0 40 IHAB COc1ccc(C)cc1NC(=O)CSc1nc2cc(C)[nH]c2c(=O)n1Cc1ccco1 67236518 NAHCFOIVZOLMMI-UHFFFAOYSA-N 438.509 3.722 0 40 IHAB COc1ccc(C(=O)C[C@@]2(O)C(=O)N(CCOc3ccccc3OC)c3ccccc32)cc1 68713340 MLXIYRUCRGXVSH-SANMLTNESA-N 447.487 3.590 0 40 IHAB CC(C)NC(=O)N1CCCCC[C@H]1C1CCN(CCS(=O)(=O)c2ccccc2)CC1 69843081 SOVIZBPPYCGRHU-QFIPXVFZSA-N 435.634 3.535 0 40 IHAB c1ccc([C@@H](CNc2ncc(-c3cnccn3)c(-c3ccco3)n2)N2CCOCC2)cc1 72338710 NUIJQJZDXISNCM-OAQYLSRUSA-N 428.496 3.679 0 40 IHAB Cc1nc2ccccc2n1Cc1cc(NCC2(c3ccccc3)CCOCC2)nc(N)n1 72373329 SUHMGJZANGUAFJ-UHFFFAOYSA-N 428.540 3.926 0 40 IHAB O=S(=O)(c1sccc1Br)N1CCC[C@H](n2nccc2C(F)(F)F)C1 95466072 CFMFECXIOKEPRV-VIFPVBQESA-N 444.298 3.752 0 40 IHAB C[C@@H](C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 100284824 PJJUWMMKBOAFBP-XGUGEBNESA-N 448.906 3.705 0 40 IHAB COC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc3ccccc23)cc1 138678214 ZQSILBFLZZBSHD-UHFFFAOYSA-N 434.448 3.527 0 40 IHAB COc1ccc(-c2noc(CNC(=O)C3CCN(c4ccc(C)cc4)CC3)n2)c(OC)c1 219866156 MINYCBPRFFALJY-UHFFFAOYSA-N 436.512 3.595 0 40 IHAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1F 222493031 SSUZXAJOLWOGTK-DYESRHJHSA-N 430.520 3.935 0 40 IHAB Cc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1N1CCCCS1(=O)=O 222569948 CQCHMPBHEHBYBR-UHFFFAOYSA-N 443.569 3.706 0 40 IHAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc2c(c1)OCO2 222651707 JRSWJNVEMCZFNK-FQEVSTJZSA-N 428.504 3.819 0 40 IHAB CSc1ccc(S(=O)(=O)NCCOc2cccc3ccccc23)cc1NC(C)=O 223576603 GFRNBPRKGRTGEK-UHFFFAOYSA-N 430.551 3.877 0 40 IHAB C[C@@H](C(=O)NCCOc1ccc2ccccc2c1)N(c1ccc(Cl)cc1)S(C)(=O)=O 223600259 AOERMXSEXWIFCV-INIZCTEOSA-N 446.956 3.843 0 40 IHAB Cc1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1N1CCCCS1(=O)=O 224398530 AZSJJXLBXRNGON-UHFFFAOYSA-N 441.597 3.504 0 40 IHAB Cc1ccc(CN(CC(=O)N[C@@H](c2ccccc2)c2cccc(C)c2)S(C)(=O)=O)cc1 224775981 QKDMKHIRTHYHEU-VWLOTQADSA-N 436.577 3.971 0 40 IHAB O=C(Nc1nnc(SCc2ccccc2)s1)c1ccc(CN2CCOCC2)cc1 225244110 HFPCNFXMQXMGLO-UHFFFAOYSA-N 426.567 3.915 0 40 IHAB O=S(=O)(c1ccccc1OC(F)(F)F)N1CC[C@H](Oc2ccc3ccccc3n2)C1 245093462 ROLQDHQYWPITIO-HNNXBMFYSA-N 438.427 3.975 0 40 IHAB O=C(Nc1ccccc1)O[C@@H]1CCC[C@H](NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)C1 245130877 VCHCNQKSLKIMJY-NBHGPNQESA-N 439.487 3.855 0 40 IHAB CCOc1ncc([C@]2(O)CCC[C@@H]3CN(Cc4cc(OC)ccc4F)C[C@H]32)c(OCC)n1 247911825 UUCJETPKIRSFCI-SRDOKRBCSA-N 445.535 3.541 0 40 IHAB COc1cc(=O)n(-c2ccccc2)cc1C(=O)N1CC[C@H](Oc2cccc3cccnc23)C1 253401769 NMMLMTIDIYEPJB-FQEVSTJZSA-N 441.487 3.688 0 40 IHAB Cc1c(C(=O)N2CCO[C@@H](c3cccc(Cc4ccccc4C(F)(F)F)n3)C2)cnn1C 257202782 ANKLKUKPQMPEOD-OAQYLSRUSA-N 444.457 3.947 0 40 IHAB COc1cccc(C(=O)N2CCNC(=O)[C@@H]2Cc2ccccc2-c2ccc(F)cc2)c1OC 257217539 CZJSHPMUFKCYIG-QFIPXVFZSA-N 448.494 3.693 0 40 IHAB CC(=O)N1CCN(CC(=O)Nc2ccc3nc(C)[nH]c3c2)[C@@H](c2ccc(OC(C)C)cc2)C1 257260055 LBDULVOVYGSMKH-XMMPIXPASA-N 449.555 3.502 0 40 IHAB O=C(c1ccc(-n2cccn2)nc1)N1CCC[C@H](c2cncc(Oc3ccccc3)n2)C1 257283151 OWXJPSJATWTMQW-IBGZPJMESA-N 426.480 3.869 0 40 IHAB Cc1cc(Cc2ccccc2F)cc([C@H]2CN(C(=O)CCc3c(C)n[nH]c3C)CCO2)n1 257300485 RUMRZZITZNCHKK-XMMPIXPASA-N 436.531 3.993 0 40 IHAB Cc1cc(C(=O)N2CCOC[C@@H](Cc3cncc4ccccc34)C2)nc(N2CCCCC2)n1 257326496 WXJVCKFZDDMAGS-FQEVSTJZSA-N 445.567 3.655 0 40 IHAB COc1ccc(N([C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)S(C)(=O)=O)cc1 408611160 SHQDNCPRIPWRLM-SFHVURJKSA-N 438.549 3.756 0 40 IHAB O=C(Nc1nnc(-c2ccccc2)s1)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 510586476 FNZLQRTYJMDSBX-UHFFFAOYSA-N 432.509 3.676 0 40 IHAB O=C(NCCc1ccc(-c2ccccc2)cc1)NCc1ccccc1CN1CC[C@H](O)C1 679764701 XNFZPCWFPDXWBI-SANMLTNESA-N 429.564 3.962 0 40 IHAB Cc1cccc(C(=O)Nc2cccc(-c3nnn(CC(=O)Nc4ccc(F)cc4F)n3)c2)c1 1339791 JZTDSBJMWVERMJ-UHFFFAOYSA-N 448.433 3.818 0 40 IHAB COc1c(Cl)c2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=O)CC2 1579933 ALELANHAGUYPLN-HNNXBMFYSA-N 433.888 3.525 0 40 IHAB COc1ccc(NC(=O)CN(Cc2ccco2)S(=O)(=O)c2cccs2)cc1Cl 2652994 LAWDYCXYACEKNH-UHFFFAOYSA-N 440.930 3.833 0 40 IHAB C[C@@H](Sc1nnc2sc3ccccc3n12)C(=O)Nc1ccc(N2CCOCC2)cc1 2663789 NSHJCFQRFZXZQJ-CQSZACIVSA-N 439.566 3.900 0 40 IHAB COc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)OCC(=O)NCc2ccco2)c1 3556302 MGUJZQMWDXCVIM-UHFFFAOYSA-N 449.438 3.753 0 40 IHAB CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(N2CCC(C)CC2)s1 8912424 AXQNHFLKESTJLS-UHFFFAOYSA-N 449.019 3.659 0 40 IHAB O=C(Nc1nc2c(s1)CC[C@H]2C(=O)NCc1ccc2c(c1)OCO2)c1ccc(F)cc1 9131527 YAHGMWGYLKHTLX-OAHLLOKOSA-N 439.468 3.609 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CC(C)C)cc1 9168141 SWDXMEUQXAZFLU-UHFFFAOYSA-N 432.542 3.904 0 40 IHAB Cn1c(=O)oc2cc(S(=O)(=O)Nc3cccc(C(=O)c4ccccc4)c3)c(Cl)cc21 9187824 ZXHDPKPXYZPDJG-UHFFFAOYSA-N 442.880 3.817 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=S)Nc2cccnc2)c1 9444913 RUNUFPSHURKIJU-UHFFFAOYSA-N 447.630 3.911 0 40 IHAB CCCCn1c(SCC(=O)Nc2cccc(C)c2C)nc2cc(S(N)(=O)=O)ccc21 9546168 VUBCGSQCTZXCLZ-UHFFFAOYSA-N 446.598 3.831 0 40 IHAB CCn1c(S[C@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)nnc1-c1cccs1 9643444 WDVMCUGYQUEFNI-GFCCVEGCSA-N 436.584 3.762 0 40 IHAB COc1ccc(-n2ccnc2S[C@H](C)C(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1 9646020 OUKJRMLZUNGCOL-GFCCVEGCSA-N 442.566 3.649 0 40 IHAB CCOc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccc(Cl)c(Cl)c4)nc32)cc1 9739070 IKOLNADDRSVUCY-UHFFFAOYSA-N 444.278 3.580 0 40 IHAB O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NC[C@H](c1ccco1)N1CCCC1 9743203 SBLKIHNQMQZSSI-LJQANCHMSA-N 448.548 3.671 0 40 IHAB O=C([C@@H]1Cc2ccccc2CN1Cc1ccc(O)cc1)N1CCN(Cc2ccccc2)CC1 9805373 RRZPZTKOVQDEJR-MHZLTWQESA-N 441.575 3.664 0 40 IHAB CCc1ccc(NC(SCCOc2ccccc2)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 9974388 JNASNHKJNUYDLO-UHFFFAOYSA-N 439.537 3.735 0 40 IHAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 10365966 BATDGSNFDGHFJL-UHFFFAOYSA-N 427.501 3.854 0 40 IHAB Cc1ccc(-n2ncc3c(=O)n(CC(=O)Nc4cccc(C(F)(F)F)c4)cnc32)c(C)c1 11025879 VTANRIDQEMPYJG-UHFFFAOYSA-N 441.413 3.857 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCN=C2SCc2ccc(C)cc2)cc1 11757715 ORWITYJPCYUPCK-UHFFFAOYSA-N 445.610 3.771 0 40 IHAB COc1cccc(N2C[C@@H](c3nc4ccccc4n3CC(=O)N3CCCCCC3)CC2=O)c1 12062099 SBMKAUHOEPJKDG-IBGZPJMESA-N 446.551 3.968 0 40 IHAB Cc1nn(Cc2ccccc2)c(C)c1CN1CCc2nc(N3CCCCCC3)[nH]c(=O)c2C1 12183138 OKLVHHVKERGQDA-UHFFFAOYSA-N 446.599 3.570 0 40 IHAB CC(C)Oc1ccc(CN2CCC(O)(Cn3nc(-c4cccs4)ccc3=O)CC2)cc1 12220282 AREWWOPZIZEVRC-UHFFFAOYSA-N 439.581 3.786 0 40 IHAB O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1ccc(CSc2ncn[nH]2)cc1 12550265 CFFOKLYEBNDUIF-UHFFFAOYSA-N 429.933 3.839 0 40 IHAB O=C(CCn1cnc2ccccc21)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 12560067 XRTWNKXTICCBBS-UHFFFAOYSA-N 426.542 3.630 0 40 IHAB CCOC(=O)C1=C(CSc2nnc(-c3ccoc3C)o2)NC(=O)N[C@H]1c1cccs1 12724838 GGFXNDGTCVTOND-HNNXBMFYSA-N 446.510 3.663 0 40 IHAB C[C@@H]1CN(Cc2csc(NC(=O)c3cccc(NC(=O)C(C)(C)C)c3)n2)C[C@@H](C)O1 12778388 CUKXQQBGRAJYOS-HUUCEWRRSA-N 430.574 3.989 0 40 IHAB COc1ccc(CC(=O)Nc2ccc(N3CCc4sccc4C3)nc2)c(OC)c1OC 12852262 PIAKMUVCFSSSJS-UHFFFAOYSA-N 439.537 3.913 0 40 IHAB CN(Cc1cccc(Cl)c1Cl)C(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1 12931857 IERBVVUDMVUGAJ-UHFFFAOYSA-N 434.323 3.509 0 40 IHAB COc1ccc(CNC(=O)COC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)cc1OC 13005222 BHXVOUBPZHJJGV-OAHLLOKOSA-N 436.508 3.783 0 40 IHAB O=S(=O)(NCc1ccc(Cn2cccn2)cc1)c1ccc(Br)cc1Cl 13017242 MJMPALNPCZNDHY-UHFFFAOYSA-N 440.750 3.826 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Oc4ccccc4)cc3)CC2)cc1 13137115 QQQHQBAXCGQEMF-UHFFFAOYSA-N 436.533 3.934 0 40 IHAB COc1ccc(OC)c([C@@H](c2nnnn2Cc2ccccc2)N2CCc3ccccc3C2)c1 13496263 WXXUERFZNAHRDQ-VWLOTQADSA-N 441.535 3.886 0 40 IHAB O=C(/C(=C/c1ccccc1)c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 13845161 XQIMPEQCQWKBQF-HIXSDJFHSA-N 432.545 3.760 0 40 IHAB C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(Br)cc1 15621303 PDKPKVUVMGPLIA-CQSZACIVSA-N 437.359 3.725 0 40 IHAB CSc1ccccc1NC(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O 16282151 NVLJBLLDBVELPP-UHFFFAOYSA-N 443.388 3.884 0 40 IHAB CC[C@H](OC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)C(=O)Nc1cc(C)on1 16808178 GLHMGNPORDZFEK-ZDUSSCGKSA-N 436.877 3.739 0 40 IHAB CC(C)C(=O)N1CCC(c2nc(O)cc([C@@H]3CCCN(C(=O)CC4CCCC4)C3)n2)CC1 19085305 WTDBNLHQQVRNMB-HXUWFJFHSA-N 442.604 3.831 0 40 IHAB O=C(CCOc1cccc(F)c1)Nc1nnc(CCN2CCc3ccccc3C2)s1 19375387 KAWIZZHGJRJOKU-UHFFFAOYSA-N 426.517 3.686 0 40 IHAB CCCN1CCN(Cc2nccn2CC)C[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O 19502954 BFMWWJJUYQUMPU-DEOSSOPVSA-N 431.584 3.878 0 40 IHAB Cc1nc([C@@H]2CCCN(C(=O)c3cc[nH]n3)C2)nc2c1CCCN2CCc1ccccc1 19754743 GRYUNDHMIRZOIC-HXUWFJFHSA-N 430.556 3.523 0 40 IHAB O=C(CCCCCCN1C(=O)c2ccccc2C1=O)N1CCN(Cc2ccccc2)CC1 19972553 WDOCAJMASDVCQG-UHFFFAOYSA-N 433.552 3.578 0 40 IHAB O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)Nc1ccc(F)c(F)c1 20020795 PVDSIJIFYCHXDE-UHFFFAOYSA-N 444.459 3.734 0 40 IHAB CC(C)C(=O)N1CCN(c2c(Cl)cccc2NC(=O)COc2ccccc2F)CC1 20412616 MMDCKDQBPWVHHZ-UHFFFAOYSA-N 433.911 3.801 0 40 IHAB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 20493720 CMPJVNNDDIHVJZ-CQSZACIVSA-N 431.901 3.942 0 40 IHAB COC(=O)[C@H](CC(C)C)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1Cl 20722735 XWUDCZXMYUUTCY-WMZOPIPTSA-N 439.343 3.961 0 40 IHAB COc1ccc(C(=O)Nc2cccc(C(=O)OCc3cc(=O)n4cc(C)sc4n3)c2)cc1 21633465 OMGCOMHCZLRSHJ-UHFFFAOYSA-N 449.488 3.682 0 40 IHAB CCOC(=O)c1ccc(-c2ccc(CNCCSc3nnnn3-c3ccccc3)o2)cc1 22108091 GOPYWFXHZVDWCX-UHFFFAOYSA-N 449.536 3.981 0 40 IHAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@H](C)NC[C@H]1CCCN1CC 22777639 RELJNUHHANEZHV-FUHWJXTLSA-N 429.586 3.993 0 40 IHAB CCc1ccc(NC(=O)Cn2cc(OC)c(=O)cc2CSc2nc(C)cc(C)n2)cc1 23006655 QPJSROVFPARBSM-UHFFFAOYSA-N 438.553 3.757 0 40 IHAB COc1ccc(-c2csc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)n2)c(OC)c1 23687915 PMDDSZWBBMKLKL-UHFFFAOYSA-N 437.477 3.733 0 40 IHAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NCCSC3CCCCC3)CC2)c1 24611911 QELUBFINHZFHJS-UHFFFAOYSA-N 438.659 3.719 0 40 IHAB COc1ccc(NC(=O)c2ccc(NC3=NS(=O)(=O)c4ccccc43)cc2)c(OC)c1 25424966 RRUYMXBVPVOZNI-UHFFFAOYSA-N 437.477 3.517 0 40 IHAB C[C@H](OC(=O)CCC(=O)c1ccc2c(c1)CCCC2)C(=O)N1CCN(c2ccccc2)CC1 27075368 WOQVFEUMPSVVON-FQEVSTJZSA-N 448.563 3.809 0 40 IHAB C[C@@H]1Cc2ccccc2N1C(=O)COc1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 33499676 JGBSRABGMMNOIZ-GOSISDBHSA-N 436.533 3.868 0 40 IHAB CCOC(=O)[C@@H]1CCCN(C[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)C1 36046344 ZVKLRSXGRVQHCN-KNQAVFIVSA-N 433.495 3.707 0 40 IHAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(S(=O)(=O)NC(C)C)ccc1OC 44879995 KERAEUXFGKEPND-GOSISDBHSA-N 440.949 3.831 0 40 IHAB CC1CCN(C(=O)C2=NN(Cc3ccc(Cl)cc3)c3ccccc3S2(=O)=O)CC1 49402556 XXZQUPNQEVQGDB-UHFFFAOYSA-N 431.945 3.706 0 40 IHAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)N1CCC[C@@H](N2CCCC2)C1 58289446 DGEQSYKBYKMGAO-QGZVFWFLSA-N 426.483 3.634 0 40 IHAB O=C(Nc1nnc(C2CCC2)s1)c1ccc2c(c1)C(=O)N(Cc1ccc(F)cc1)C2=O 61718424 LMSWAYTYRQCDFM-UHFFFAOYSA-N 436.468 3.993 0 40 IHAB COC(=O)C[C@@H](NC(=O)C(=O)Nc1ccc2oc(C3CC3)nc2c1)c1ccccc1Cl 61983312 ZGYMAWGAZZKWJX-MRXNPFEDSA-N 441.871 3.718 0 40 IHAB O=C(Cn1nc2c(SCc3ccc(Cl)cc3)nccn2c1=O)Nc1cccc(F)c1 67255432 BSZGGRXTIWUUGM-UHFFFAOYSA-N 443.891 3.615 0 40 IHAB O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)NCCn1ccc2ccc(Cl)cc21 71283756 XXDVNSWTOZVMKI-UHFFFAOYSA-N 441.318 3.988 0 40 IHAB C[C@H](NC(=O)C1(c2ccc(Cl)cc2)CCCC1)c1ccc(-n2cc(C(N)=O)nn2)cc1 71820897 GFPIHWROWPBTOW-HNNXBMFYSA-N 437.931 3.709 0 40 IHAB CCCc1cc(C(=O)N2CCN(CCC)C(=O)[C@H]2Cc2ccc(-c3ccncc3)cc2)no1 72351854 VJOCHQSGRZKHDU-XMMPIXPASA-N 446.551 3.995 0 40 IHAB COc1ccc(-c2noc([C@@H]3CCN(Cc4cc(OC)c(OC)c(OC)c4)C3)n2)cc1 72369925 OKENTAJTZLFSRX-QGZVFWFLSA-N 425.485 3.761 0 40 IHAB COc1cc(C)c(CN2CCC[C@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)cc1OC 72394307 QEQPDYBXBVFWFS-HNNXBMFYSA-N 438.977 3.844 0 40 IHAB CCN1CC[C@@]2(C(=O)Nc3cccnc3)CCN(C(=O)c3ccc(Cl)cc3)CC[C@@H]12 96145314 DHWYWDRXZJJHSK-NFBKMPQASA-N 426.948 3.690 0 40 IHAB COc1ccc(C(=O)N2CCc3nc(C(=O)Nc4cccc(OC)c4)sc3CC2)cc1 96146891 NIVPKILYTXQNIS-UHFFFAOYSA-N 437.521 3.654 0 40 IHAB O=C(NC1CCCC1)N1CC[C@@]2(C1)c1ccccc1S(=O)(=O)N2Cc1ccc(F)cc1 96261953 QVUIRUSCFSDTBA-HSZRJFAPSA-N 443.544 3.583 0 40 IHAB CS(=O)(=O)C1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1cccc(-c2ccc(Cl)cc2)c1 96375715 XMWZOYKXTRIYRA-UFRUDQCGSA-N 439.986 3.736 0 40 IHAB COc1ccc(CNC(=O)CN2C(=O)CC(c3ccccc3)=Nc3ccccc32)cc1OC 101354169 MWDPVMYEUYMOMU-UHFFFAOYSA-N 443.503 3.878 0 40 IHAB CC1(C)C[C@H]2C[C@@](C)(CN2[C@@H](C(=O)O)c2c[nH]c3ccc(NC(=O)CCC(=O)O)cc23)C1 105690580 STLBHMKQPRVJEE-BXKTYXQLSA-N 441.528 3.998 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)cc1 222517458 YAPNUAAMYCVXHS-UHFFFAOYSA-N 438.933 3.945 0 40 IHAB Cc1ccc(C(=O)Nc2nnc(SC(C)C)s2)cc1N1CCCCS1(=O)=O 222925746 SCKXZLXFZLYQAK-UHFFFAOYSA-N 426.589 3.529 0 40 IHAB CCc1ccc(CC)c(CNC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)c1 223131343 XZRWMFHIMWUOAE-UHFFFAOYSA-N 426.941 3.686 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)N[C@H](C)c1cc(C)ccc1C 223158967 AHKYLVQIKNIJIE-LJQANCHMSA-N 444.597 3.907 0 40 IHAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)N[C@H](C)c3ccc4c(c3)CCC4)CC2)cc1 223214156 FJJIIVRJRIDFRH-LJQANCHMSA-N 440.609 3.903 0 40 IHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(Br)c(C)c1 223580514 VYDKOEUNGUHWHL-QGZVFWFLSA-N 447.373 3.998 0 40 IHAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NCCc3ccc(Cl)cc3)CC2)c1 224348601 LCONWOOTQAMJJH-UHFFFAOYSA-N 434.989 3.549 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCCOc1ccccc1Cl)c1ccc(Cl)cc1 224632184 YPTVMVXEDZRMES-UHFFFAOYSA-N 445.368 3.735 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)NCC(C)(C)C)Cc2ccccc2)cc1Cl 226072572 UUQOSZNWDUZIKE-UHFFFAOYSA-N 438.977 3.702 0 40 IHAB CCn1cc(CN2CCO[C@H](c3cc(CCOc4ccccc4Cl)[nH]n3)C2)c(C)n1 257272191 NBJRBFUFOFJKGZ-QFIPXVFZSA-N 429.952 3.783 0 40 IHAB CC[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1ccc(OC)c(C)c1 260890390 CZMXGTWTBHXZBO-GHTZIAJQSA-N 448.560 3.811 0 40 IHAB C[C@H](NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1)c1ccc2c(c1)CCCC2 260934979 NUWUHYBWBIWFPK-LHSJRXKWSA-N 448.972 3.623 0 40 IHAB COC(=O)c1ccc(C)c(-c2ccc(/C=C3/SC(=O)N([C@@H](C)C(=O)OC)C3=O)o2)c1 409102741 ZUTXMGIUVYDHHA-VAKHEIKFSA-N 429.450 3.639 0 40 IHAB COC(=O)N[C@@H](C(=O)N1CCC[C@@H]1c1c[nH]c(-c2ccc(Br)cc2)n1)C(C)C 575332195 XOAUQHHFFFBSMB-IAGOWNOFSA-N 449.349 3.883 0 40 IHAB CC(C)(C)OC(=O)N1CC(N[S@@](=O)C(C)(C)C)(c2ccc(Br)cc2)C1 1772715103 ABIAPEJNGNAKLM-VWLOTQADSA-N 431.396 3.947 0 40 IHAB Nc1ccc(C(=O)N2N=C(C(F)(F)F)C[C@@]2(O)c2ccc(Br)cc2)cc1 713256 PQGLETPGCQDPFC-MRXNPFEDSA-N 428.208 3.641 0 40 IHAB COc1cc(OC)c([C@H]2SCCN2C(=O)c2cc3ccccc3oc2=O)cc1OC 855096 MFWJJNYHYCJYFP-OAQYLSRUSA-N 427.478 3.707 0 40 IHAB COc1ccc(NC(=O)c2ccc(NC(=O)c3coc(=O)c(Br)c3)cc2)cc1 1301422 JHUOEYXBAJXZAE-UHFFFAOYSA-N 443.253 3.916 0 40 IHAB Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(OCC(=O)N3CCC(C(=O)O)CC3)ccc12 2114056 VEZJYLMJOIHBAD-UHFFFAOYSA-N 449.503 3.703 0 40 IHAB biogenic CCOc1ccc(NC(=O)c2c(C(=O)Nc3ccccc3)sc3nc(C)cc(=O)n23)cc1 2887905 WCTUQUGBIXRNGC-UHFFFAOYSA-N 448.504 3.968 0 40 IHAB C[C@@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)N[C@@H]2CCCc3ccccc32)C1=O 3519346 CEUPEPLFCFCJLC-GJZUVCINSA-N 427.504 3.801 0 40 IHAB Cc1ccc(C)c(N(CC(=O)NC2CCCCC2)C(=O)CCC(=O)Nc2ccccn2)c1 4093284 FMAAWLBUQKWNNF-UHFFFAOYSA-N 436.556 3.899 0 40 IHAB CCOC(=O)C1CCN(C(=O)C2(NC(=O)Nc3c(C)cccc3C)CCCCC2)CC1 4982208 DQLCOEAQWXOQKQ-UHFFFAOYSA-N 429.561 3.930 0 40 IHAB CCOc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=S)NCCCOC)cc2c1 6196708 GUPXLZRHOLBSAR-UHFFFAOYSA-N 439.581 3.840 0 40 IHAB CCc1ccc(NC(=O)c2ccc3c(O)c(S(=O)(=O)c4ccccc4)c(=O)[nH]c3c2)cc1 8589505 CRCONDHYBDJTEW-UHFFFAOYSA-N 448.500 3.881 0 40 IHAB CCOc1cc(Br)c(CC(=O)NCc2ccc3c(c2)OCO3)cc1OCC 8735519 QGZAEGWIKARDQQ-UHFFFAOYSA-N 436.302 3.834 0 40 IHAB CCc1ccc(-c2csc(NC(=O)CN3C(=O)N[C@]4(CCCC[C@@H]4C)C3=O)n2)cc1 9056576 IUZOLDYVCFPWKG-FPTDNZKUSA-N 426.542 3.812 0 40 IHAB COc1ccc(-c2nnc(SCc3nc(N)nc(N)n3)n2-c2ccccc2C(C)C)cc1 9111798 KPAMFVKVJFRPRP-UHFFFAOYSA-N 448.556 3.708 0 40 IHAB CCOc1ccc(NC(=O)[C@@H]2Sc3nnc(CC)n3N[C@H]2c2ccc(OC)cc2)cc1 9197361 LKMNOGZVNQNSMB-VQTJNVASSA-N 439.541 3.646 0 40 IHAB COc1cc2nc(-c3ccccc3)nc(N3CCN(C(=O)c4ccco4)CC3)c2cc1OC 9365073 MUPPQFUTIVNYQN-UHFFFAOYSA-N 444.491 3.869 0 40 IHAB CCOc1ccc(C(=O)Nc2c3c(nn2-c2ccccc2C)C[S@@](=O)C3)cc1OCC 9413339 FKVWPEXBNCXKBB-WJOKGBTCSA-N 439.537 3.993 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)OCc2cc(OC)ccc2OC)c1 9495269 NWRZAOBDEHCLHV-UHFFFAOYSA-N 441.933 3.745 0 40 IHAB Cc1cccc(C)c1-n1nnnc1SCC(=O)N1CCS[C@H]1c1ccccc1F 9580343 OQIMVRAALRXDSR-IBGZPJMESA-N 429.546 3.785 0 40 IHAB O=C(CSc1nc2c(oc3ccccc32)c(=O)n1C[C@H]1CCCO1)NCc1ccccc1 9750990 RWPHRNCKOQWGTH-QGZVFWFLSA-N 449.532 3.730 0 40 IHAB CC(C)(CC(=O)N1CCN(c2ccc(F)cc2)CC1)CC(=O)N1CCc2ccccc2C1 9846828 BIUFWNHXTIRDAW-UHFFFAOYSA-N 437.559 3.866 0 40 IHAB O=C(c1cccc(NS(=O)(=O)c2ccccc2)c1)N1CCN(c2ccccc2F)CC1 10112735 ZNJFOCWUWAAZNF-UHFFFAOYSA-N 439.512 3.589 0 40 IHAB CCNc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)c1ccc([C@@H](C)CC)cc1 10512503 UPNAQHLFGAWGGQ-HNNXBMFYSA-N 439.603 3.683 0 40 IHAB COc1cccc([C@H]2CCCN2C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 11826107 MNMQZOIITDWKQX-JOCHJYFZSA-N 446.544 3.599 0 40 IHAB Cc1sc2nc(C3CC3)n(C3CCN(CC(=O)N4CCCC[C@@H]4C)CC3)c(=O)c2c1C 12184955 FVENAQXOAAPLTB-HNNXBMFYSA-N 442.629 3.990 0 40 IHAB Cc1ccc(-n2ncc3c(C(C)C)nn(CC(=O)N4CCc5ccccc54)c(=O)c32)cc1C 12229135 WYNPKZDCHPFDKZ-UHFFFAOYSA-N 441.535 3.912 0 40 IHAB O=C(c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)N1CCCCCC1 12548533 DPRHROGGNBNUME-UHFFFAOYSA-N 430.526 3.665 0 40 IHAB COc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C 12551039 XCVPKRQXYYXWPH-YOEHRIQHSA-N 446.525 3.533 0 40 IHAB CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)CC)N3CCC[C@@H](C)C3)cc2c1 12712798 URTITZWENUOLET-IIBYNOLFSA-N 438.576 3.880 0 40 IHAB COc1ccc(Cl)cc1C(=O)N1CCN(Cc2nc(-c3ccc(C)cc3)no2)CC1 12756184 XZDLNTOZQDTXBW-UHFFFAOYSA-N 426.904 3.665 0 40 IHAB COc1ccccc1CN(C)C(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1OC 12856103 OLWSHTAESRLTSS-UHFFFAOYSA-N 446.569 3.541 0 40 IHAB CCc1cc2c(=O)n(CCCOC)c(SCc3noc(-c4ccco4)n3)nc2s1 12873259 GKLKIHNMDIEILK-UHFFFAOYSA-N 432.527 3.992 0 40 IHAB Cc1c(C(=O)OCC(=O)NC(=O)NCc2ccccc2)oc2ccc(Br)cc12 13095549 OGALBCKRQXHVHR-UHFFFAOYSA-N 445.269 3.687 0 40 IHAB O=C(c1cc(Br)c(Br)s1)N1CCN(c2ccccn2)CC1 13114447 DKWLKDVFAVQIKR-UHFFFAOYSA-N 431.153 3.631 0 40 IHAB O=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2sccc21)Nc1cccc(Cl)c1 13533504 AFHQRNOYKXAELV-UHFFFAOYSA-N 439.924 3.760 0 40 IHAB CC(=O)Nc1ccc(C(=O)CSc2nnc(-c3ccccn3)c(-c3ccccn3)n2)cc1 13566507 NASZWEVSFABSNI-UHFFFAOYSA-N 442.504 3.929 0 40 IHAB CCOc1cccc(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)c1 13668311 CLNUCIIJTVGGEO-UHFFFAOYSA-N 440.521 3.928 0 40 IHAB COc1cccc(N2CCN(C(=O)C3CCC(CNC(=O)OC(C)(C)C)CC3)CC2)c1 13691554 WENNGVHBAPYLTQ-UHFFFAOYSA-N 431.577 3.675 0 40 IHAB COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)C(O)(c1ccccc1)c1ccccc1 13748924 ZDAUIWLGTMMSIJ-UHFFFAOYSA-N 430.460 3.838 0 40 IHAB O=C(NCCNC(=O)c1ccc(F)c(F)c1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 13854864 OPTUTMGNLXSGPH-UHFFFAOYSA-N 441.409 3.516 0 40 IHAB CSc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 14200641 OQZDFEAVRLJXJP-UHFFFAOYSA-N 426.563 3.708 0 40 IHAB CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)CCC(=O)c2ccc(Cl)s2)cc1 14237251 RXCMMAPTGKWHHS-UHFFFAOYSA-N 442.990 3.509 0 40 IHAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Cn1c(C(F)(F)F)nc2ccccc21 15095866 IPWNRQFQDQDYKR-AWEZNQCLSA-N 428.418 3.855 0 40 IHAB CCCCNC(=O)N(O)[C@@H]1N(CCc2ccc(OC)c(OC)c2)C(=S)SC1(C)C 15162298 WEOWTVKMOFGSJZ-KRWDZBQOSA-N 441.619 3.886 0 40 IHAB COC[C@@H](Cc1ccc(OC)c(OC)c1)[C@@H](COC)Cc1cc(OC)c2c(c1)OCO2 15272050 RCFGIEPQSDGMJJ-RTBURBONSA-N 432.513 3.752 0 40 IHAB biogenic,in-vitro CCCOc1ccc(-c2cccc(NS(=O)(=O)c3ccc(OC)cc3OC)c2)nn1 15785232 NZWJVABHRSMITE-UHFFFAOYSA-N 429.498 3.750 0 40 IHAB O=C(c1cccnc1)N1CCCC[C@H]1c1nc(O)c2c(n1)CN(Cc1cccs1)CC2 19337600 QEVICNYMTBJSLH-FQEVSTJZSA-N 435.553 3.564 0 40 IHAB CCCc1nc2ccccc2c(C(=O)OCC(=O)Nc2ccc(C(=O)NC)cc2)c1CC 19353563 QTSLUGYUCGZPBP-UHFFFAOYSA-N 433.508 3.905 0 40 IHAB COc1ccccc1-c1ccccc1C[C@H]1CN(C(=O)Cc2ccc(F)cc2)CCNC1=O 19571777 QAMFDDBSSXAQJB-NRFANRHFSA-N 446.522 3.861 0 40 IHAB Cc1nc([C@H]2CCCN(CCOc3ccc(F)cc3)C2)ncc1C(=O)N1CCCCC1 19763183 QSPYCYALQKJJKQ-IBGZPJMESA-N 426.536 3.809 0 40 IHAB COc1cccc(CNC(=O)c2cnc([C@H]3CCCCN3C(=O)C3CCCC3)nc2C)c1 19764644 FEQKCMJHMNQWLF-JOCHJYFZSA-N 436.556 3.967 0 40 IHAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)c1C 20040051 LFRWOIPPOTWDJG-QGZVFWFLSA-N 425.510 3.905 0 40 IHAB COc1cccc(N(CC(=O)Nc2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)c1 20237001 KOCHMGUUCKPCBY-UHFFFAOYSA-N 440.521 3.679 0 40 IHAB Cc1cccc(N(CC(=O)NCCCc2ccc(OC(C)C)cc2)S(C)(=O)=O)c1C 22340473 PIKZYIVWUHLDDP-UHFFFAOYSA-N 432.586 3.606 0 40 IHAB O=S(=O)(NC[C@H](c1ccsc1)N1CCOCC1)c1ccc(-c2ccccc2)cc1 22767400 LUNUHDINJRQVCD-JOCHJYFZSA-N 428.579 3.767 0 40 IHAB Cc1nc(-c2cccc(NC(=O)C3CCN(S(=O)(=O)c4cccnc4)CC3)c2)cs1 23189149 GNAWXFKRLJGSPU-UHFFFAOYSA-N 442.566 3.553 0 40 IHAB CCOc1c(Br)cc(F)cc1NCc1cc(=O)n2nc(CC)sc2n1 24041454 YHSKVCXFGDFHSS-UHFFFAOYSA-N 427.299 3.626 0 40 IHAB O=S(=O)(c1ccccc1C(F)(F)F)N1CCN(Cc2cccc3cccnc23)CC1 24193343 OVXPKIMKQRZXQO-UHFFFAOYSA-N 435.471 3.760 0 40 IHAB CCN(CCO)CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CCCC2 24671464 YQXJQGXIYPQRHO-UHFFFAOYSA-N 435.977 3.785 0 40 IHAB Cc1ccc(C(=O)[C@@H](C)OC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1C 25283828 IZLNZBRKZRRVHV-AEFFLSMTSA-N 435.567 3.580 0 40 IHAB COc1ccc(OC)c(CN(C(=O)c2nn(-c3ccccc3F)c(C)cc2=O)C2CC2)c1 25807759 LSHHTJKBXXOECS-UHFFFAOYSA-N 437.471 3.502 0 40 IHAB O=C(CN(Cc1c(F)cccc1Cl)C1CC1)NC(=O)Nc1ccc2c(c1)OCCO2 27370251 VPAOGQRTMRAOKK-UHFFFAOYSA-N 433.867 3.563 0 40 IHAB O=C(CCSc1ccc(F)c(F)c1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 27595685 PCCSDOFEGPUCST-UHFFFAOYSA-N 426.510 3.870 0 40 IHAB O=C(Cc1csc(Cc2ccccn2)n1)Nc1ccccc1I 32915726 ZTEJZNHWWWRIHD-UHFFFAOYSA-N 435.290 3.915 0 40 IHAB Cc1cc(C)cc(OCC(=O)Nc2cccc(OCc3cc(=O)n4oc(C)cc4n3)c2)c1 35378583 LAOUXKLNTWUGHX-UHFFFAOYSA-N 433.464 3.809 0 40 IHAB COc1ccc(-c2nnc3sc([C@@H](C)n4cc(Br)c(C)n4)nn23)cc1OC 36365678 RLIRBPYNAWCPAQ-SNVBAGLBSA-N 449.334 3.747 0 40 IHAB Cc1nn(Cc2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3ncnc4c3cnn4C)c12 36616549 APNNRTFKQAFMSR-UHFFFAOYSA-N 438.495 3.594 0 40 IHAB O=c1[nH]c(SCc2nc(-c3ccc4c(c3)OCO4)no2)nc2c(-c3ccccc3)c[nH]c12 38654873 FYJRDPLXOZBEGN-UHFFFAOYSA-N 445.460 3.989 0 40 IHAB O=C(N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)c1ccc2c(c1)OCCCO2 40107849 ZNTJKHAZBVKSJT-SFHVURJKSA-N 448.441 3.960 0 40 IHAB NC(=O)CNC(=O)c1ccc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)s2)cc1 58218220 PFQJAXKFDMNTJL-ZRDIBKRKSA-N 439.924 3.936 0 40 IHAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCc3ccccc3)Oc3cc(C)ccc32)cc1 64985950 RIJMSPAJBFBFRN-HSZRJFAPSA-N 436.533 3.576 0 40 IHAB Cc1ccc(NC(=O)Cn2nc3c(Sc4ccc(C)cc4C)nccn3c2=O)c(C)c1 65151008 CXFJWXMTNRQQCQ-UHFFFAOYSA-N 433.537 3.915 0 40 IHAB Cc1ccc(CNC(=O)Cn2c(=O)cc(-c3nc(C4CC4)no3)c3ccccc32)cc1C 67317965 WCRJOMNOEOTXDB-UHFFFAOYSA-N 428.492 3.862 0 40 IHAB O=C(CSc1nnc(NC(=O)c2cc(-c3ccccc3)on2)s1)Nc1nccs1 70635148 WYNHZGNNIKCQCH-UHFFFAOYSA-N 444.523 3.633 0 40 IHAB CCc1ccc2nc(NC(=O)c3ccc4c(c3)S(=O)(=O)N(C(C)C)C4=O)sc2c1 71808803 MPQKQVXUNDLJKL-UHFFFAOYSA-N 429.523 3.664 0 40 IHAB COc1cc(OC)c2cc(C(=O)N[C@H](C)C(=O)Nc3ccc(OC)c(Cl)c3)n(C)c2c1 94992912 RYDLRSMAIGRWCO-GFCCVEGCSA-N 445.903 3.615 0 40 IHAB O=S1(=O)c2ccccc2O[C@H]2CCN(Cc3ccc(F)cc3)CC[C@@H]2N1CC1CC1 96145893 BKDYTBKUKAMKPZ-SFTDATJTSA-N 430.545 3.652 0 40 IHAB COc1ccc(N2C(=O)C[C@@H](c3c(C)nn(-c4nc5ccccc5s4)c3O)C2=O)cc1 100068864 BNVLTVXSEJWVLD-HNNXBMFYSA-N 434.477 3.552 0 40 IHAB O=C1C[C@H](N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)C(=O)N1c1cccc(Cl)c1 100113792 DBEPJJYQQWIPPP-MHZGPWMTSA-N 427.976 3.558 0 40 IHAB COC(=O)[C@@H]1[C@H](OC(=O)C(Cl)(c2ccccc2)c2ccccc2)C[C@H]2CC[C@H]1N2C 101107254 CBJOUDDJDVEZLS-NCYKPQTJSA-N 427.928 3.737 0 40 IHAB CCOc1ccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)C(=O)c2ccccc2)cc1 102091549 JAYOWXMHJKMQHD-QALHXSLCSA-N 442.515 3.743 0 40 IHAB CCOc1ccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H]([C@H]6C[C@H]56)[C@@H]4C3=O)c2)cc1 102149464 CIWFEOSWQPEVPL-AJIIZAQNSA-N 428.488 3.895 0 40 IHAB Cc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3Cl)n2C)c(C)c1 107927935 CBZLWIVXKSBROZ-UHFFFAOYSA-N 443.960 3.746 0 40 IHAB Cc1cc(C)cc(N([C@@H](C)C(=O)NCCOc2ccccc2C(C)C)S(C)(=O)=O)c1 223765453 RMKBESWRQPXGPU-IBGZPJMESA-N 432.586 3.777 0 40 IHAB C[C@H](NC(=O)CSCc1ccc(Br)cc1)c1ccc(S(C)(=O)=O)cc1 223841121 NGNGYJCKJAEXCY-ZDUSSCGKSA-N 442.400 3.963 0 40 IHAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1CCC(Cc2ccccc2)CC1 224364672 LFCAYVBSESLNIF-HSZRJFAPSA-N 444.597 3.721 0 40 IHAB O=C(c1ccc(NC(=S)NCc2cccc(N3CCCC3=O)c2)cc1)N1CCCCC1 225647396 YMBJVTQEYIGHAW-UHFFFAOYSA-N 436.581 3.926 0 40 IHAB COc1ccc([C@H](CC(=O)NC(c2ccccc2)c2ccccc2)NS(C)(=O)=O)cc1 225957695 XVKKILZQOKUOPM-QFIPXVFZSA-N 438.549 3.581 0 40 IHAB CCCNC(=O)CCc1c(C)nc2cc([C@@H]3CCCCN3Cc3ccncc3)nn2c1C 257211411 BYTWOTQYLPPPII-QHCPKHFHSA-N 434.588 3.927 0 40 IHAB Cc1ccc2[nH]nc(C(=O)N3CCO[C@@H](c4cc(Nc5ccccn5)cc(C)n4)C3)c2c1 257229720 FZFSEWWTIOSPLW-OAQYLSRUSA-N 428.496 3.927 0 40 IHAB O=C(c1cccc(Cn2ccnc2)c1)N1CCOC[C@H](Cc2cncc3ccccc23)C1 257257430 KPNVCPQQVKVWFE-OAQYLSRUSA-N 426.520 3.811 0 40 IHAB O=C(O)CN(CCc1ccc(Cl)cc1)C(=O)Cn1c(C(F)(F)F)nc2ccccc21 257289311 PYCBQDGQQIDUOY-UHFFFAOYSA-N 439.821 3.864 0 40 IHAB O=C(c1ccccc1CN1CCOCC1)N1CCOC[C@@H](Cc2ccc3ccoc3c2)C1 257302203 SBYCNNJJKUDJBH-NRFANRHFSA-N 434.536 3.596 0 40 IHAB Cc1ccc(C)c(N(CC(=O)N[C@H](C)c2cc(C)c(C)cc2C)S(=O)(=O)N(C)C)c1 260931068 MAQHFZLQSQZEHX-HXUWFJFHSA-N 431.602 3.719 0 40 IHAB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 408589869 FXMMISVDCRCXCL-LJQANCHMSA-N 438.549 3.591 0 40 IHAB CNC(=O)C(=O)Nn1c(C(=O)Nc2ccc(Cl)cc2Cl)cc2cc(Cl)ccc21 408601837 BWTNCNBOESANPG-UHFFFAOYSA-N 439.686 3.670 0 40 IHAB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1cccs1 408656450 SJHLQZTYGFJHDB-KBPBESRZSA-N 428.897 3.593 0 40 IHAB CCOc1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccccc2OCC)cc1 408663283 HIQBTVXFAOYQIZ-UHFFFAOYSA-N 428.485 3.775 0 40 IHAB Cc1cc(Br)c(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)Oc2ccccc2)cc1C 409003920 VXSVHQVGFIJACV-KSSFIOAISA-N 433.302 3.639 0 40 IHAB COc1cc(OC)c(OC)cc1/C=C1\SC(=O)N(CCOc2ccc(F)cc2)C1=O 409053083 KEDPAVHRYXHXGA-ODLFYWEKSA-N 433.457 3.967 0 40 IHAB CCn1c(SCC(=O)Nc2ccccc2F)nnc1[C@@H](C)NC(=O)c1ccc(C)cc1 409139228 BVEFIJOKAHWJNE-OAHLLOKOSA-N 441.532 3.967 0 40 IHAB CCOc1ccc(NC(=O)COc2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1 409204153 CIHFNWCOESTGCC-UHFFFAOYSA-N 440.521 3.581 0 40 IHAB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccc(I)cc2)C1=O 409210769 MKCRQQIWDJGBRP-AAIQCTMTSA-N 445.278 3.669 0 40 IHAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cccn2-c2cccc(C)c2C)C1=O 409246281 AGZJOUDCIJXQJI-XSFVSMFZSA-N 444.491 3.634 0 40 IHAB Cc1nc(C(=O)Nc2ccc3c(c2)C(C)(C)CC3(C)C)nn1-c1n[nH]c(C(F)(F)F)n1 535469321 OPYOZASGCMICCX-UHFFFAOYSA-N 433.438 3.924 0 40 IHAB Cn1cnnc1CC1CCN(C(=O)c2[nH]c3ccc(Br)cc3c2Cl)CC1 1638839472 UQXSGRFRVZYFPU-UHFFFAOYSA-N 436.741 3.807 0 40 IHAB CSc1nc(C2CCOCC2)cc(N2CCN(Cc3csc(C4CC4)n3)CC2)n1 1888890183 ROMFTSSKDSYKFZ-UHFFFAOYSA-N 431.631 3.749 0 40 IHAB CCC(CC)COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc2c(cc1Br)OCO2 828454 YCEFGZULGZDMMQ-KRWDZBQOSA-N 439.306 3.785 0 40 IHAB O=C(Nc1ccccc1)N(Cc1cccnc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 880281 QNSNLSJXNKTBDO-UHFFFAOYSA-N 442.475 3.929 0 40 IHAB CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3CCC[C@@H](C)C3)cc2c1 1224926 PFYSSDAYXSPBCB-KOSHJBKYSA-N 442.567 3.947 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)c2cccc(C(F)(F)F)c2)cc1 3228576 DREDHHQVGHSWKM-UHFFFAOYSA-N 443.443 3.776 0 40 IHAB COC(=O)c1c(NC(=O)COC(=O)CCc2nc3ccccc3s2)sc2c1CCC2 3245783 FNLOZPVRHMLRAI-UHFFFAOYSA-N 444.534 3.748 0 40 IHAB COc1cc([C@H]2OC[C@@H]3[C@H](c4cc(OC)c5c(c4)OCO5)OC[C@H]23)cc(OC)c1OC 5663096 DHWUVPPRBIJJKS-YJPXFSGGSA-N 430.453 3.525 0 40 IHAB endogenous,in-man COc1ccc(CC[C@@]2(C)NC(=O)N(CC(=O)c3cccc(Br)c3)C2=O)cc1 8734050 OEVROOLROMQCEQ-OAQYLSRUSA-N 445.313 3.584 0 40 IHAB CCOc1ccc(NC(=O)c2nc(S(=O)(=O)Cc3ccccc3)ncc2Cl)cc1 8916921 BYTBHAUWFZFBBH-UHFFFAOYSA-N 431.901 3.755 0 40 IHAB CCOc1ccc(-c2nnc(SCC(=O)N(C)CC(=O)Nc3ccc(C)cc3)o2)cc1 8944036 CGBGOIKNBSPDNA-UHFFFAOYSA-N 440.525 3.633 0 40 IHAB O=C(NC(=S)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1)c1ccccc1Cl 9064489 ZPZLQPJRMOITBB-UHFFFAOYSA-N 449.832 3.872 0 40 IHAB COc1ccccc1-n1c(S[C@@H](C)C(=O)NC[C@H]2CCCO2)nnc1-c1cccs1 9111773 HKMABODFTFHNKH-LSDHHAIUSA-N 444.582 3.780 0 40 IHAB Nc1cc(N)nc(SCC(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)n1 9220942 GTSCQBYKKYXTKC-UHFFFAOYSA-N 446.330 3.927 0 40 IHAB COc1ccc(NC(=O)CSc2nnc(COc3c(C)cccc3C)n2C)c(OC)c1 9263055 XCBYMJXWWKOBQV-UHFFFAOYSA-N 442.541 3.759 0 40 IHAB CCn1c(=O)n(CC)c2cc(NC(=O)c3sc4nc(C)cc(COC)c4c3N)ccc21 9273778 PGPDCIMDFRJLDV-UHFFFAOYSA-N 439.541 3.742 0 40 IHAB CCOC(=O)C1=C(CC)Nc2ccccc2N=C1NC(=O)c1ccc(COC(C)=O)cc1 9285385 WSDRFKAJNNAILU-UHFFFAOYSA-N 435.480 3.862 0 40 IHAB O=C(Cn1nnc(-c2cccc(F)c2)n1)N1N=C(c2cccs2)C[C@@H]1c1cccs1 9349539 MBGZVYWVVIKXKY-MRXNPFEDSA-N 438.513 3.980 0 40 IHAB COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2cccc(Br)c2)cc1 9584368 QWBXHDBRDJCQAS-GOSISDBHSA-N 440.301 3.977 0 40 IHAB COc1ccc(S(=O)(=O)NCCSCc2ccc(Cl)cc2)cc1NC(C)=O 9684734 JMNFWAATISUEHG-UHFFFAOYSA-N 428.963 3.519 0 40 IHAB CCCCCOc1cccc(C(=O)Nc2nnc(-c3cccc(S(C)(=O)=O)c3)o2)c1 9707638 NQAJWZRAUJCIMV-UHFFFAOYSA-N 429.498 3.961 0 40 IHAB CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COc1ccccc1 9985840 NXELOCLYTNFQNJ-UHFFFAOYSA-N 432.542 3.666 0 40 IHAB Cc1nc(Nc2nc3ccccc3o2)ncc1C(=O)N1CCN(c2ccc(F)cc2)CC1 10157603 DUUBENLJMRWJRD-UHFFFAOYSA-N 432.459 3.771 0 40 IHAB COc1ccc(N([C@H](C)C(=O)NCCSC2CCCCC2)S(C)(=O)=O)cc1Cl 10368635 KVZWCEMYXBTYDV-CQSZACIVSA-N 449.038 3.685 0 40 IHAB COc1ccc(C(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)c(OC)c1 10499954 DKJKBKATZAQAGF-UHFFFAOYSA-N 425.510 3.916 0 40 IHAB CCCCN(C)C(=O)Cn1c([C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)nc2ccccc21 12062183 ZAXCZVBFQJSYQS-IBGZPJMESA-N 436.531 3.950 0 40 IHAB CCc1nn(C)c(C(=O)N2CC[C@@H](c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](CC)N4)C2)c1C 12182492 LEDZYNUKWISPJL-CKEIUWERSA-N 438.498 3.815 0 40 IHAB CCCNC(=O)[C@@H]1CN(C(=O)c2ccc(-n3cnc4ccccc43)cc2)c2ccccc2O1 12516949 AEQGFRYYGHVUFQ-DEOSSOPVSA-N 440.503 3.960 0 40 IHAB COc1cccc(-n2c(=O)c3ccccc3n3c(S[C@@H](C)c4nc(C)no4)nnc23)c1 12522058 WUYWGARIJIVNIP-LBPRGKRZSA-N 434.481 3.587 0 40 IHAB CN(CCC(=O)Nc1ccc(F)c(F)c1)CC(=O)Nc1ccccc1Br 12866239 JILQBRFGGZMVNF-UHFFFAOYSA-N 426.261 3.626 0 40 IHAB COc1cc(OC)cc(C(=O)Nc2ccc(Nc3ccc(-n4ccc(C)n4)nn3)cc2)c1 13009642 JTQGKVKHWRUIDB-UHFFFAOYSA-N 430.468 3.984 0 40 IHAB CCOc1cccc(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCC(C)CC3)c2)c1 13671162 RIUMZLJKBHASTA-UHFFFAOYSA-N 432.542 3.767 0 40 IHAB O=C(c1ccc(Br)cc1)N(Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 13749243 LSPCFHBFESVURZ-KRWDZBQOSA-N 442.762 3.932 0 40 IHAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CCCSc4ccccc43)c2)C[C@H](C)O1 14240866 CZUZQERKCQBADL-IRXDYDNUSA-N 446.594 3.627 0 40 IHAB COc1ccccc1[C@H](C)NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 14369758 NIQJUCIGFAZWFQ-KRWDZBQOSA-N 442.512 3.907 0 40 IHAB O=C(c1ccc(F)cc1)[C@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@H]2c3ccccc3C=NN21 15997177 IVIZFPPZXFBPMZ-KAOXLYBCSA-N 439.446 3.587 0 40 IHAB COc1c(F)c(F)c(C(=O)Nn2c(C)nnc2SCc2ccccc2)c(F)c1F 17094769 UFJCYCSZJLYSBF-UHFFFAOYSA-N 426.395 3.828 0 40 IHAB O=C(Cn1c(S)nnc1-c1ccc(Cl)cc1)N1CCN(c2ccccc2Cl)CC1 17119894 HTVSIDJMKRGMCO-UHFFFAOYSA-N 448.379 3.889 0 40 IHAB O=C(C1CC1)N1CCCc2cc(NS(=O)(=O)c3ccc(Br)cc3)ccc21 17156406 DRRWEFQLMBZKLY-UHFFFAOYSA-N 435.343 3.939 0 40 IHAB O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)CCn2c(=O)oc3cc(Cl)ccc32)C1 17824215 NIRNAWYWHQLGHF-HNNXBMFYSA-N 427.888 3.515 0 40 IHAB CCc1nc2ccccc2c2nn(CC(=O)Nc3ccccc3-c3ccc(C)o3)c(=O)n12 19523258 KYPDZESRQSAMLQ-UHFFFAOYSA-N 427.464 3.814 0 40 IHAB COc1ncccc1-c1cc(=O)[nH]c([C@H]2CCCN2C(=O)c2cccc(C(F)(F)F)c2)n1 19594661 BHGDFDAARSVQKV-QGZVFWFLSA-N 444.413 3.837 0 40 IHAB CN(C)c1ncc(-c2ccccc2F)c([C@@H]2CCCN(C(=O)c3n[nH]c4c3CCC4)C2)n1 19693930 ZUTQWSDLWIFCEL-OAHLLOKOSA-N 434.519 3.580 0 40 IHAB Cc1nc(CN(C)C(=O)Cc2ccccc2)nc2c1CCC(=O)N2CCc1ccccc1 19696182 HNIYWNBIKOYCKW-UHFFFAOYSA-N 428.536 3.508 0 40 IHAB Nc1nc(C2CCN(C(=O)Cc3ccc(F)cc3)CC2)ccc1C(=O)NCc1ccccc1 19766348 VHKUHFLHTJPKHC-UHFFFAOYSA-N 446.526 3.682 0 40 IHAB Cc1ccc(-c2nnc(SCC(=O)N3CCOCC3)n2-c2ccccc2)c(Cl)c1 20357140 UKSKGTSIHRWYOG-UHFFFAOYSA-N 428.945 3.847 0 40 IHAB O[C@@H](CSc1ccc(Br)cc1)CN1CCN(c2ccc(F)cc2)CC1 20385136 XAYBQMQZNGGYMG-GOSISDBHSA-N 425.367 3.863 0 40 IHAB C[C@H](OC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)C(=O)N(C)c1ccccc1 21841642 STWBLQASPBYAEQ-HNNXBMFYSA-N 435.446 3.912 0 40 IHAB Cc1cccc(-c2nnc([C@H](C)N3CCN(CC(=O)Nc4cccc(C)c4C)CC3)o2)c1 22934062 SELOPKHSURWJQI-FQEVSTJZSA-N 433.556 3.979 0 40 IHAB Cc1ccc(C(=O)[C@H](OC(=O)Cn2nc3n(c2=O)CCCCC3)c2ccc(C)cc2)cc1 25054305 GLFKUYANOZCWQC-XMMPIXPASA-N 433.508 3.555 0 40 IHAB Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)cc1F 26564606 PVOUNGCDVNFZLO-UHFFFAOYSA-N 442.468 3.958 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NS(=O)(=O)c2ccc(F)cc2Cl)c1 32754941 QQQQTGTYDRGVFZ-UHFFFAOYSA-N 448.969 3.927 0 40 IHAB COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N1CCN(C(=O)CC(C)C)CC1 32908229 WXHXVTAIOASUJI-UHFFFAOYSA-N 446.551 3.878 0 40 IHAB Cc1cc(C)n(-c2cc(NCCNC(=O)C(C)(C)Oc3ccc(Cl)cc3)nc(C)n2)n1 38670401 YRKFROJZRLLZGX-UHFFFAOYSA-N 442.951 3.627 0 40 IHAB Cc1cc(F)ccc1-n1c(=O)c2sccc2n(CC(=O)NCCC2=CCCCC2)c1=O 57493326 NVQKXFDPZIFIME-UHFFFAOYSA-N 441.528 3.668 0 40 IHAB CCc1cccc(NC(=O)Cn2c(=O)n(-c3cc(F)cc(F)c3)c(=O)c3sccc32)c1 57494195 BCHUKLZBNVKKGM-UHFFFAOYSA-N 441.459 3.693 0 40 IHAB COc1ccc(NC(=O)Cn2c(-c3cccc(Cl)c3)nc(C)c(C)c2=O)cc1OC 57528146 SAWADPIERXAZHA-UHFFFAOYSA-N 427.888 3.836 0 40 IHAB COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)c1 58061273 GUWYJBHFDHBSGO-SNAWJCMRSA-N 446.308 3.998 0 40 IHAB Cc1ccc(NC(=O)Cn2ncn3nc(-c4cccc5ccccc45)cc3c2=O)cc1F 67208488 QEFURSXKLQFUNL-UHFFFAOYSA-N 427.439 3.797 0 40 IHAB CN1c2ccc(Cl)cc2-c2nc(SCc3ccc4c(c3)OCO4)ncc2S1(=O)=O 67260106 ARCFQCJFEGUXIB-UHFFFAOYSA-N 447.925 3.957 0 40 IHAB Cc1cc(C)n(CCCC(=O)N2CCNC(=O)[C@H]2Cc2cccc(-c3ccccc3C)c2)n1 72351921 PSGLQJZUXGALSP-RUZDIDTESA-N 444.579 3.825 0 40 IHAB O=C(CCCOc1cccc(Cl)c1Cl)N1CCC(c2ccnn2CCO)CC1 95461553 MKQDHTRYQYUKIT-UHFFFAOYSA-N 426.344 3.747 0 40 IHAB Cc1ccc(C)c(C(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cc2)c1 100560993 QEORKYWQHKDERW-PTRHGPIFSA-N 429.472 3.655 0 40 IHAB Cc1ccc(C(=O)COC(=O)CCCCCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1C 102076367 KIVITEINDQYDED-BOUDZANMSA-N 449.547 3.643 0 40 IHAB COC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccc(C)cc3)c(OC)c2)C1=O 205747738 WDEREPNSPLEXKR-YBFXNURJSA-N 427.478 3.792 0 40 IHAB CCOc1ccc(CNC(=O)C2=C(c3ccccc3)c3ccccc3N(C)S2(=O)=O)cc1 219182294 FCFBISHWXRFMCV-UHFFFAOYSA-N 448.544 3.941 0 40 IHAB CCN1c2ccccc2C(c2ccccc2)=C(C(=O)NCc2ccc(OC)cc2)S1(=O)=O 219184896 OMJQSLQGVDTCIZ-UHFFFAOYSA-N 448.544 3.941 0 40 IHAB CCOC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)cc1 219993857 DYKHFJWGXNYMIT-UHFFFAOYSA-N 430.526 3.536 0 40 IHAB COC(=O)c1cn(C(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)c2ccccc12 222581070 CCRYEPDZXCOPQN-UHFFFAOYSA-N 428.510 3.658 0 40 IHAB CCN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(C(=O)N2CCCCCC2)c1 223849636 BSRAEKQUHDLYLE-UHFFFAOYSA-N 430.570 3.922 0 40 IHAB COc1ccc(CNC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)cc1OC 224547758 CVJXTNFBYKQAIO-UHFFFAOYSA-N 447.373 3.995 0 40 IHAB Cc1ccccc1OCCNC(=O)CCCN(c1ccccc1C(C)C)S(C)(=O)=O 224839186 NDGUMGIACFRPII-UHFFFAOYSA-N 432.586 3.860 0 40 IHAB Cc1nc([C@H]2CCN(C(=O)CC3CCCC3)C2)nc(C)c1CC(=O)NC1CCCCC1 257242100 IBDATBPADNIVTL-FQEVSTJZSA-N 426.605 3.981 0 40 IHAB C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)N(C(=O)c3c[nH]c(O)n3)[C@H]1CCCCC(=O)N2 257285752 PIQKJUDVONRKHP-FTRWYGJKSA-N 436.434 3.539 0 40 IHAB Cc1cc(OC[C@@]2(O)CCCN(CC(=O)NCc3ccc(F)cc3)C2)cc(C)c1Cl 257314821 UYPZHRHBIAEGCH-HSZRJFAPSA-N 434.939 3.618 0 40 IHAB O=C(NCc1ccc(F)cc1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 408614336 BBFFJFFAOUUBKN-HXUWFJFHSA-N 445.494 3.743 0 40 IHAB O=C(CCCC(=O)OCC(=O)Nc1ccc(Br)cc1)Nc1ccc(F)cc1 408661051 CTAGJCYHXKPEGM-UHFFFAOYSA-N 437.265 3.879 0 40 IHAB Cc1cccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCc2cccc(Cl)c2)c1 408709542 DBPSUZLSPJBUOF-UHFFFAOYSA-N 435.911 3.833 0 40 IHAB COC(=O)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)cc1 409154190 MYJAPJXMYUJZIL-CXUHLZMHSA-N 430.869 3.802 0 40 IHAB CCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc1OC 409200816 JGFPPYUVCPOXQZ-UNOMPAQXSA-N 442.493 3.778 0 40 IHAB CCOc1cc(C(=S)N2CCOCC2)ccc1OCC(=O)Nc1ccc(CC)cc1 409246505 CCIISNJVHONIGE-UHFFFAOYSA-N 428.554 3.673 0 40 IHAB COc1ccc(CN(C(=O)c2cc(S(=O)(=O)Nc3ccccc3F)c[nH]2)C2CC2)cc1 512371752 MESWBBNCXJZGKR-UHFFFAOYSA-N 443.500 3.768 0 40 IHAB COc1ccc(-n2nnnc2C2(NCCc3c[nH]c4ccccc34)CCSCC2)cc1 575443728 KVOBUNBNGVEAJH-UHFFFAOYSA-N 434.569 3.707 0 40 IHAB CC(C)(C)c1ccc(OCC2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)nn1 1775966267 ZJPGMSFZXZXAKM-UHFFFAOYSA-N 435.454 3.526 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2C)c2ccccc2F)cc1 869446 CQQOBNLQJAUGGG-UHFFFAOYSA-N 426.513 3.954 0 40 IHAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(Cn2cnc3ccccc32)n1C 924604 TWKQJOBFHREPHV-UHFFFAOYSA-N 426.933 3.906 0 40 IHAB COc1cc(C(=O)OCC(=O)Nc2ccc(C)cc2)c(Br)c(OC)c1OC 954885 HATYDCFNVLOVGE-UHFFFAOYSA-N 438.274 3.579 0 40 IHAB Cc1ccc(-c2cc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)c3ccccc3n2)cc1 998899 KDDYXBBKAVSDMG-UHFFFAOYSA-N 431.517 3.788 0 40 IHAB CCN(CCCCCCN1C(=O)c2ccccc2C1=O)c1ccc2c(c1)C(=O)N(C)C2=O 2234122 JFMDWSBXJYVELU-UHFFFAOYSA-N 433.508 3.595 0 40 IHAB Cc1cccc(OCC(=O)NCc2cc(-c3nn(C)c(=O)c4ccccc34)ccc2C)c1 2260448 XCNQVQPHTOQOSF-UHFFFAOYSA-N 427.504 3.913 0 40 IHAB COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CCN1CCN(c2ccccc2F)CC1 2282886 MPFDARWAIXWWFJ-UHFFFAOYSA-N 438.503 3.553 0 40 IHAB COC(=O)c1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2C[C@H]2CCCO2)cc1 2377504 HMZLCJODXXJYBF-UTKZUKDTSA-N 433.460 3.612 0 40 IHAB O=C(N[C@]1(C(F)(F)F)N=C(SCc2ccccc2)NC1=O)c1cccc(Cl)c1 2439065 HXYUHJCSAULELI-KRWDZBQOSA-N 427.835 3.748 0 40 IHAB Cc1cccc(-n2nnnc2SCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)c1 2621188 BXVUEFYAPDXSOQ-UHFFFAOYSA-N 428.827 3.769 0 40 IHAB Cc1cc(C)n(Cc2ccc(-c3nnc(S)n3-c3cnn(Cc4ccccc4)c3)o2)n1 2809320 LFOOJAJTSRKYMV-UHFFFAOYSA-N 431.525 3.922 0 40 IHAB CCCCn1c(SCC(=O)Nc2ccccc2C(=O)OC)nc2ccsc2c1=O 2909320 PVAYXFUNMMQRFT-UHFFFAOYSA-N 431.539 3.776 0 40 IHAB COc1ccc(OCc2nnc(S[C@H](C)C(N)=O)n2-c2ccc(C)c(Cl)c2)cc1 3500796 CBCYQQJAGOPVNI-CYBMUJFWSA-N 432.933 3.783 0 40 IHAB Cc1ccc(-n2c(SCn3nnc4ccccc4c3=O)nc3ccccc3c2=O)c(C)c1 3519937 SGHHSIJVIRFLPL-UHFFFAOYSA-N 441.516 3.857 0 40 IHAB CCOc1ccc(C(=O)Nc2c3c(nn2-c2ccc(C)cc2)C[S@](=O)C3)cc1OCC 6578011 STGPHPQFYSSSSC-HKBQPEDESA-N 439.537 3.993 0 40 IHAB O=C(COC(=O)c1ccccc1SCC(=O)NC1CCCCC1)NC1CCCCC1 8687342 TYUJASFJJYCKKS-UHFFFAOYSA-N 432.586 3.833 0 40 IHAB COc1ccc(CCNC(=O)c2ccccc2NS(=O)(=O)c2ccccc2F)cc1 8720240 RBWZHZASSHWSKI-UHFFFAOYSA-N 428.485 3.608 0 40 IHAB CCCC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@@H]1c1cc(OC)ccc1OC 8843917 MKXQMLIQBVUQCC-HXUWFJFHSA-N 445.541 3.553 0 40 IHAB CCOCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1ccc(OC)c(OC)c1 8845451 VZTWLHWQDFFNOC-QHCPKHFHSA-N 437.496 3.771 0 40 IHAB O=C(CSc1nc(O)c2cnn(-c3ccccc3)c2n1)N[C@H]1CCCc2ccccc21 8852895 UJIHLPYSBOCUTN-IBGZPJMESA-N 431.521 3.807 0 40 IHAB O=C(Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)(=O)C2)c1ccc(C(F)(F)F)cc1 8910280 OEGGWAZXUCPVDD-UHFFFAOYSA-N 439.390 3.711 0 40 IHAB Cc1cc(C)cc(-n2ccnc2SCC(=O)NCC(=O)Nc2ccc(F)c(F)c2)c1 9115870 RFXIERNTUISGJU-UHFFFAOYSA-N 430.480 3.614 0 40 IHAB COc1cc(-c2nnc(SCC(=O)NCCC3=CCCCC3)o2)cc(OC)c1OC 9128253 IABICAWVWDKIRF-UHFFFAOYSA-N 433.530 3.861 0 40 IHAB O=C(COc1ccc(NC(=O)c2ccccc2)cc1)Nc1ccc(N2CCOCC2)cc1 9154276 MORWQBXWZPIDKG-UHFFFAOYSA-N 431.492 3.793 0 40 IHAB CCOc1ccc([C@H]2Nn3c(nnc3-c3ccccc3)S[C@@H]2C(=O)N2CCCC2)cc1 9238484 UZEGDIKKXKRMQF-UXHICEINSA-N 435.553 3.725 0 40 IHAB COc1ccc([C@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2ccccc2OC)cc1Cl 9238587 CMCAZZGIYRUFJO-MSOLQXFVSA-N 445.932 3.655 0 40 IHAB CCOC(=O)CCN(CP(=O)(OCC(F)(F)F)OCC(F)(F)F)C(=O)OCC 9272043 HMWLZWSLNRLPRE-UHFFFAOYSA-N 447.265 3.707 0 40 IHAB Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)c2cncn2-c2ccccc2)c1C 9463359 WFQPPLZFGTYBQL-OAQYLSRUSA-N 432.524 3.749 0 40 IHAB C[C@H]1CCC[C@H](NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccncc2)[C@@H]1C 9464371 PKJNQZKOIJLFOI-QKLQHJQFSA-N 436.581 3.873 0 40 IHAB Cc1cc(N2CCOCC2)nc(Nc2ccc(NC(=O)[C@@H](C)Oc3ccccc3)cc2)n1 9573369 AXTPAGJJYZTSSU-GOSISDBHSA-N 433.512 3.771 0 40 IHAB COc1cc(CN(C)C(=O)c2ccc(-n3cnnn3)cc2)ccc1OCc1ccccc1 9614170 AIOKGJXXVGPLJP-UHFFFAOYSA-N 429.480 3.522 0 40 IHAB CCn1c(SCCCOc2ccc(Cl)cc2)nc2cc(S(N)(=O)=O)ccc21 9670005 UHTATNMGQANQID-UHFFFAOYSA-N 425.963 3.918 0 40 IHAB C[C@@H](OC(=O)/C=C/c1ccco1)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 9703432 WKLULOOCBLGPBU-HZRUHFOJSA-N 438.402 3.719 0 40 IHAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2)cc1 9739423 OOBAMNSKZQQHEG-UHFFFAOYSA-N 427.457 3.837 0 40 IHAB COc1ccc(C(=O)C[C@@]2(O)C(=O)N(CCOc3ccccc3C)c3ccccc32)cc1 9926327 NLRPMVDQJWWFJH-SANMLTNESA-N 431.488 3.890 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4sccc4c3)CC2)cc1 10337674 CLXHFTDTIQYNAA-UHFFFAOYSA-N 430.551 3.949 0 40 IHAB C[C@@H](C(=O)Nc1ccc(Cl)cc1F)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C 11073842 XZKZNCDDTGTCIB-KGLIPLIRSA-N 446.910 3.502 0 40 IHAB COc1cc(NC(=O)CSc2ccc(-n3nc(C)cc3C)nn2)c(OC)cc1Cl 11142288 QWIQXXKUQISBNK-UHFFFAOYSA-N 433.921 3.681 0 40 IHAB CCn1c(SCC(=O)Nc2cc(Cl)ccc2OC)nc2c(c1=O)S[C@H](C)C2 11726500 FBPQOFIUSHPVAY-SNVBAGLBSA-N 425.963 3.693 0 40 IHAB CCOC(=O)C1=C(COC(=O)c2c(F)cccc2Cl)NC(=O)N[C@@H]1c1cccs1 12489171 GHEZFNUFANUGGX-MRXNPFEDSA-N 438.864 3.569 0 40 IHAB CC(=O)Nc1cccc([C@H](C)NC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)c1 12545866 RLBOFCBVLFXTET-HNNXBMFYSA-N 426.492 3.580 0 40 IHAB C[C@@H]1CCCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 12769139 WJCBDDLUXNNNMU-RDTXWAMCSA-N 448.507 3.681 0 40 IHAB COc1ccc([C@@H](CNC(=O)COc2ccc(C(N)=O)cc2)c2c[nH]c3ccccc23)cc1 12908398 CWXAACTWWNNWPJ-JOCHJYFZSA-N 443.503 3.603 0 40 IHAB Cc1ccc(NC(=O)CN(C)C(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 12997141 GNANISRQHTWDNF-UHFFFAOYSA-N 427.932 3.598 0 40 IHAB Cc1cc(C(F)(F)F)n(-c2nc(C(=O)N3CCN(Cc4ccccc4)CC3)cs2)n1 13398330 NXVQGBCCERNHDO-UHFFFAOYSA-N 435.475 3.614 0 40 IHAB O=C(NCCOc1ccccc1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 15555054 IAMFGPCWJGIUSP-UHFFFAOYSA-N 436.961 3.714 0 40 IHAB O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)Nc1ccc(F)c(Cl)c1 16429010 UNWVDIWLAKMXOQ-UHFFFAOYSA-N 426.897 3.718 0 40 IHAB Cc1cc(SCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)nc2ccccc12 16806678 BUVHHDJGSLHPIK-UHFFFAOYSA-N 444.578 3.735 0 40 IHAB Cc1cc(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)n(-c2nc3ccc(F)cc3s2)n1 16851139 YEWZCEXINDXUHM-UHFFFAOYSA-N 449.467 3.835 0 40 IHAB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)o1 17299999 CUMXKCCSGQTGBM-WQRHYEAKSA-N 440.477 3.612 0 40 IHAB COc1ccc(CCC2CCN([C@H]3CC(=O)N(c4ccc(C)cc4)C3=O)CC2)c(OC)c1 18220129 MCAGIJSYMKBQQQ-QHCPKHFHSA-N 436.552 3.989 0 40 IHAB C[C@H](OC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O)C(=O)c1cccc(Cl)c1 18328418 RGFGSBQMJKLOIL-GUYCJALGSA-N 441.867 3.543 0 40 IHAB Cc1ccc(C(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)CN(Cc2ccccc2F)CC3)cc1 19135351 VKVWVOHLAXWFKY-QHCPKHFHSA-N 446.526 3.753 0 40 IHAB O=C(c1cc([C@H]2CCCN(Cc3ccc(Cl)c(Cl)c3)C2)no1)N1CCC(O)CC1 19292900 MEPPPUFWARUOGX-HNNXBMFYSA-N 438.355 3.958 0 40 IHAB CCNC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)Cc2ccccn2)C1 19528923 YUCZSPKGDSDPIB-VWLOTQADSA-N 433.577 3.950 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)O)c2ccccc2F)cc1 20236140 QTKWFCCDTFDVGU-UHFFFAOYSA-N 442.468 3.666 0 40 IHAB COc1ccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCCC4)cc1OC 21882466 LGCLIWWFXDXERT-UHFFFAOYSA-N 427.526 3.842 0 40 IHAB COc1cc(C(C)=O)ccc1OC[C@H](O)CSc1nnc2cc(C)c3ccccc3n12 24094484 BUQAVIYEEWFPBC-KRWDZBQOSA-N 437.521 3.934 0 40 IHAB COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1 25159055 FESCGFDALDTLLC-FQEVSTJZSA-N 429.879 3.633 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2cccc(Cn3ccnc3)c2)cc1 25173762 DICULZRDFYMPAO-UHFFFAOYSA-N 440.569 3.533 0 40 IHAB CN(CC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1)S(=O)(=O)c1cccs1 29845993 SOKYFYHJCFUCQR-HXUWFJFHSA-N 426.563 3.543 0 40 IHAB CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C(C)=O)s3)CC2)cc1 30445046 PVQTZEVNGMRIPX-HNNXBMFYSA-N 434.583 3.611 0 40 IHAB CNS(=O)(=O)c1cccc(NC(=O)/C=C/c2ccccc2OCc2csc(C)n2)c1 32832396 HFGMDEHKFSDRKV-ZHACJKMWSA-N 443.550 3.591 0 40 IHAB COc1ccc(NC(=O)[C@@H](NC2CCN(C(=O)c3ccco3)CC2)c2ccccc2)cc1 32899564 RKMHQEGGEDDRMP-QHCPKHFHSA-N 433.508 3.862 0 40 IHAB Cc1ccc(OCC(=O)Nc2cccc(OCc3cc(=O)n4ccc(C)cc4n3)c2)cc1 33268618 LBHAATFTNDIMDJ-UHFFFAOYSA-N 429.476 3.908 0 40 IHAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)/C=C/c1cc(Cl)c2c(c1)OCCO2 36391564 ZGTZWCWCLMJSHG-CEOUIICOSA-N 435.929 3.748 0 40 IHAB COc1ccc(-c2cc(C(=O)NCCn3nc(C)c(Cl)c3C)c3cnn(C)c3n2)cc1 36613432 UCFFCRKNDAFOML-UHFFFAOYSA-N 438.919 3.541 0 40 IHAB O=C(Nc1cc(-c2ccccc2)nn1[C@H]1CCS(=O)(=O)C1)c1cc(-c2ccccc2)on1 41155089 NDGSEJRUKXJGKD-SFHVURJKSA-N 448.504 3.817 0 40 IHAB Cc1ccccc1NC(=O)Cn1nc2c(SCc3ccc(Cl)cc3)nccn2c1=O 67255368 DVRBLSLOMJAZEZ-UHFFFAOYSA-N 439.928 3.784 0 40 IHAB O=C(C1CCOCC1)N1CCCCC[C@H]1C1CCN(c2nccc(C(F)(F)F)n2)CC1 69779073 MGSBCFCOVXYALC-SFHVURJKSA-N 440.510 3.910 0 40 IHAB Cc1n[nH]cc1C(=O)N1CC[C@@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1 72371442 OCPDPRGJZYPSTG-CQSZACIVSA-N 433.434 3.711 0 40 IHAB COc1ccc(CC(=O)N2CCCC[C@@H]2c2cc(C(F)(F)F)c3c(N)n[nH]c3n2)cc1 72380184 GZPBANQNSHHALC-MRXNPFEDSA-N 433.434 3.864 0 40 IHAB COc1ccccc1Cc1cnc([C@H]2CCCN(C(=O)CN(C)Cc3cccnc3)C2)o1 77010570 RGMWJXFFYIJTSL-NRFANRHFSA-N 434.540 3.507 0 40 IHAB Cc1ccc(NS(=O)(=O)CC2CCC2)cc1S(=O)(=O)Nc1ccccc1Cl 89651345 KOJMZUJASGMOTG-UHFFFAOYSA-N 428.963 3.991 0 40 IHAB COc1ccc([C@](C)(O)[C@H]2CCCN2S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 89904837 IFEVOXKDMXJQPQ-MOPGFXCFSA-N 429.460 3.775 0 40 IHAB O=C(CN1C(=O)c2ccccc2C1=O)Nc1nnc(Cc2cccc3ccccc23)s1 95116304 OIVJNXOREWUCIT-UHFFFAOYSA-N 428.473 3.517 0 40 IHAB Cc1ccc(NC(=O)NC(C)(C)COc2ncc(Cl)cc2Cl)cc1-n1cnnn1 95460853 WCPQISFUDZHTEB-UHFFFAOYSA-N 436.303 3.652 0 40 IHAB CN1CCN(C(=O)C[C@H]2CC3(CCN(C(=O)c4ccccc4)CC3)c3ccccc32)CC1 96242244 NGPIBLYXWAYVGV-QFIPXVFZSA-N 431.580 3.512 0 40 IHAB COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@H]1C[C@@H]3C(=O)N[C@@H](C)c1cccs1)NC2=O 100181773 SPXLXQRZNGVQNC-NINUSINWSA-N 426.538 3.889 0 40 IHAB COc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1OC 216346450 YXPDIYDEHSCKAM-KRWDZBQOSA-N 446.569 3.678 0 40 IHAB Cc1cccc(CCCNC(=O)C2CCN(S(=O)(=O)CCCc3ccccc3)CC2)c1 218786158 SGEMIJUMOOJKSZ-UHFFFAOYSA-N 442.625 3.718 0 40 IHAB Cc1noc(C)c1-c1cc([C@](O)(c2cccnn2)[C@@H]2CCCO2)c2nc(C3CC3)[nH]c2c1 219392355 NOLOEUZMYMVHJL-RDPSFJRHSA-N 431.496 3.917 0 40 IHAB CCCOc1ccccc1CCCNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 219978577 MLVOZHRMBLREAI-UHFFFAOYSA-N 430.570 3.623 0 40 IHAB CCc1ccc(N([C@@H](C)C(=O)Nc2cccc(Br)c2)S(C)(=O)=O)cc1 220262532 CALGJPCLXLDDTM-ZDUSSCGKSA-N 425.348 3.805 0 40 IHAB CC[C@@H](C(=O)NCCSCc1cccc(C)c1)N(c1ccccc1F)S(C)(=O)=O 220592446 RSJCKGPURCORCL-IBGZPJMESA-N 438.590 3.728 0 40 IHAB COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccnc2)c1C 223715303 CESRKQSUYBLQHS-XZOQPEGZSA-N 449.580 3.810 0 40 IHAB Cc1cccc([C@]2(C(=O)N(C)C)CCCN2Cc2ccccc2OCc2cccnc2)n1 257210572 BVETXTGSOCSYMV-SANMLTNESA-N 430.552 3.944 0 40 IHAB COc1cccc(CN(C)CC(=O)N2CCO[C@@H](c3cccc(Cc4ccccc4)n3)C2)c1 257222624 DUBLTTIQZJEBJZ-AREMUKBSSA-N 445.563 3.713 0 40 IHAB CC(C)(NC(=O)c1cccc(F)c1)C(=O)N1CCOC[C@H](Cc2cccc3ncccc23)C1 257238728 HMHHQOYSYXCCHP-GOSISDBHSA-N 449.526 3.600 0 40 IHAB CCCc1cc(C(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(=O)N3CCCCC3)C2)no1 257284492 PCXFTEYZCVJFIY-CVDCTZTESA-N 439.556 3.939 0 40 IHAB Cc1cc(Nc2cccc([C@H]3CN(C(=O)CCCc4ccc(F)cc4)CCO3)n2)nn1C 257299458 RQDBZROGJUUYNN-OAQYLSRUSA-N 437.519 3.929 0 40 IHAB O=C(c1ccco1)N1CCC2(CC1)Oc1ccccc1-c1c2cnn1CCN1CCCC1 306124628 BVACCMJUQYVZAX-UHFFFAOYSA-N 432.524 3.763 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CNC(=O)c2ccc(COc3ccc(C)cc3)o2)cc1 408564081 XMWSAQWKULGKEA-UHFFFAOYSA-N 436.464 3.712 0 40 IHAB Cc1cc(C)cc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)c2)c1 408655608 HUAXCEDRZSWHEE-ZCVTWQBDSA-N 446.503 3.634 0 40 IHAB CCOCCCNC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 409136141 SSJFYTWXTIBONG-UHFFFAOYSA-N 445.368 3.732 0 40 IHAB Cc1cnn(CCOc2ccc(CN3CCC(O)(COc4ccccc4F)CC3)cc2)c1 585274111 RNPCPNIBIZNDJG-UHFFFAOYSA-N 439.531 3.816 0 40 IHAB CN1CCCCCCN(C(=O)c2cn(C)cn2)[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643581960 GMQPECWDIUURHJ-GGAORHGYSA-N 438.572 3.899 0 40 IHAB COc1ccc(C(=O)N[C@H](C(=O)N[C@@H]2COc3c(C)cccc3C2)c2ccccc2)cc1 1160626549 FUIVXYAFBXLZOC-GMAHTHKFSA-N 430.504 3.595 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CSc2nnc(COc3ccc(C)cc3)n2C)cc1 894334 RUVAHVQWINTMEO-UHFFFAOYSA-N 440.525 3.610 0 40 IHAB COc1cccc(NC(=O)c2ccccc2N(C)C(=O)CCC(=O)Nc2nccs2)c1 2655903 SUZASICSFXMBOH-UHFFFAOYSA-N 438.509 3.786 0 40 IHAB Cc1ccc2c(CSc3nnc(-c4ccc(OC(F)F)cc4)n3N)cc(=O)oc2c1 2659167 NRYVBXXDIYMTIY-UHFFFAOYSA-N 430.436 3.967 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(F)cc(F)cc3s2)cc1 3191085 WWTSJNQYZBWCBN-UHFFFAOYSA-N 425.482 3.857 0 40 IHAB O=C(CNS(=O)(=O)/C=C/c1ccccc1)OCCOc1c(Cl)cccc1Cl 3421749 IHABIZUABLCXOK-FMIVXFBMSA-N 430.309 3.506 0 40 IHAB C[C@H]1C[C@H](C)CN(C(=O)Cn2c(SCC(=O)NC3CCCC3)nc3ccccc32)C1 4859304 WVAIYWSYRUTTAD-IRXDYDNUSA-N 428.602 3.692 0 40 IHAB COc1ccc(OC)c(NC(=O)CSc2nnc(CNc3c(C)cccc3C)n2C)c1 6443440 FPMDABHYTXKVGL-UHFFFAOYSA-N 441.557 3.792 0 40 IHAB O=C(Nc1ccccc1)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(CSc2ccccc2)nn1 8299285 CIDXFSXEGGHAEG-ZEYPLWLESA-N 433.581 3.920 0 40 IHAB biogenic,in-vitro Cc1ccc(OCc2nc(CC(=O)NCC(=O)Nc3ccc(F)c(F)c3F)cs2)cc1 8705012 GAVAFAYCVXRKAQ-UHFFFAOYSA-N 449.454 3.745 0 40 IHAB Cc1cccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)n[nH]2)c1O 9130116 UYSRWYGHALHLAZ-UHFFFAOYSA-N 440.525 3.518 0 40 IHAB COc1ccc(N(Cc2nnnn2-c2ccccc2)S(=O)(=O)c2cc(C)ccc2C)cc1 9165363 CYRCCFAKBNLBPW-UHFFFAOYSA-N 449.536 3.683 0 40 IHAB C[C@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccc(-n2cncn2)cc1 9377271 NQKYMHCFVIPXHZ-LPHOPBHVSA-N 437.931 3.650 0 40 IHAB Cc1cccc(NC(=O)c2ccc3c(O)c(S(=O)(=O)c4ccccc4)c(=O)[nH]c3c2)c1 9429686 NLQYVAKUGGKITP-UHFFFAOYSA-N 434.473 3.627 0 40 IHAB COc1cc(OC)c(NC(=O)COCc2cc(-c3ccc4c(c3)OCO4)on2)cc1Cl 9436189 PZEOQJOSKJAOPE-UHFFFAOYSA-N 446.843 3.896 0 40 IHAB COc1cccc(NC(=O)c2ccccc2N(C)C(=O)CCC(=O)N2CCC(C)CC2)c1 9492088 FYVSUQQRKXRNLI-UHFFFAOYSA-N 437.540 3.949 0 40 IHAB COc1cccc(C(=O)NCC(=O)O[C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)c1 9507065 DTZCYFNUSRWCPF-XMMPIXPASA-N 446.503 3.965 0 40 IHAB Cc1cc(O[C@H](C)C(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)ccc1Cl 9556416 MSFNKZKSAFAYQP-CABCVRRESA-N 427.975 3.693 0 40 IHAB Cc1cc(NC(=O)c2c(F)cccc2F)n(-c2ncnc3c2cnn3-c2ccccc2)n1 9661087 ADSRDMJKXRMJJB-UHFFFAOYSA-N 431.406 3.840 0 40 IHAB COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)Nc2cccc(SC)c2)CC1 10303140 RZCSFETUBJMLNP-UHFFFAOYSA-N 438.546 3.596 0 40 IHAB COc1cc(C(=O)NCc2ccc(N3CCCC3=O)cc2)cc(OC)c1Br 10455423 RYSSJAKXPFKQJR-UHFFFAOYSA-N 433.302 3.523 0 40 IHAB O=C1c2cccc(N3CCN(Cc4ccco4)CC3)c2C(=O)N1CCc1cccc(F)c1 12456899 VKKDCRCOMHIIKO-UHFFFAOYSA-N 433.483 3.580 0 40 IHAB O=S(=O)(Nc1cc2c(cc1Br)OCCO2)c1ccc(Br)cc1 12556956 FBYFSNVXKIYTDS-UHFFFAOYSA-N 449.120 3.784 0 40 IHAB C[C@@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)c2cccc(N3CCCC3=O)c2)C1=O 12567904 SSVFWCQDVKRNOY-SANMLTNESA-N 441.487 3.617 0 40 IHAB COc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)c2csnn2)c2cccc(F)c2)cc1 12637516 UHMDNBRLUPBOFQ-IBGZPJMESA-N 442.516 3.989 0 40 IHAB C[C@H]1Oc2c(C(=O)N3CCN(CC(=O)Nc4ccccc4Cl)CC3)cccc2[C@H]1C 13121123 FLWMYHCINQHSPV-JKSUJKDBSA-N 427.932 3.621 0 40 IHAB Cc1cc(-c2cnn(CCNC(=O)CCn3nc(C)c(C)c3C)c2-c2cccs2)on1 13226740 XGRIIJOBKHGLCT-UHFFFAOYSA-N 438.557 3.903 0 40 IHAB C[C@@H](OC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1)C(=O)NC1CCCC1 14753584 UCTUZDRXYNTOJG-MRXNPFEDSA-N 428.554 3.856 0 40 IHAB O=C(c1ccccc1Br)N1CCN(c2ccc(N3CCCCCC3)nn2)CC1 16689886 OWJZOMXXVCFLQC-UHFFFAOYSA-N 444.377 3.582 0 40 IHAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 18099387 DCBWFIPPVGKLLA-UHFFFAOYSA-N 436.512 3.610 0 40 IHAB CC(=O)Nc1ccc(C(=O)N2Cc3ccccc3OC3(CCC(N(C)C(C)=O)CC3)C2)cc1 19022357 PHHTXKZOHXVXKM-UHFFFAOYSA-N 449.551 3.840 0 40 IHAB CNC(=O)[C@@]1(Cc2ccc(-c3cccc(C)c3)cc2)CN(C(=O)c2ccccc2)CCO1 19235369 MAZOAUOJDBSDHA-HHHXNRCGSA-N 428.532 3.862 0 40 IHAB CCCc1cc(C(=O)N2CCC(O)(Cn3ccc4nc(-c5ccncc5)ccc43)CC2)no1 19525281 AVBYTCNDFMFWQP-UHFFFAOYSA-N 445.523 3.706 0 40 IHAB CCN(CCN(C)C)c1nc(-c2ccncc2)nc2c1CN(Cc1ccc(F)cc1)CC2 19526591 TYAQIZBZDFZNHH-UHFFFAOYSA-N 434.563 3.624 0 40 IHAB COc1ccccc1CC(=O)N1CC[C@](Cc2ccc(-c3cccs3)cc2)(C(N)=O)C1 19569423 TZGYSNXOFRGDEN-RUZDIDTESA-N 434.561 3.913 0 40 IHAB CNC(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCCN(C(=O)Cc2cccnc2)C1 19591144 FIIDKGXTHKFKHY-HHHXNRCGSA-N 427.548 3.889 0 40 IHAB Cc1nccn1CCC(=O)N1CCC[C@H](c2nc(N(C)C)ncc2-c2ccccc2F)C1 19693915 ZVRCUTHIZASHHV-SFHVURJKSA-N 436.535 3.650 0 40 IHAB Cc1nc([C@H]2CCCN2S(=O)(=O)c2ccccc2)nc2c1CCC(=O)N2CCC(C)C 19740543 QMRGGGSIEPDNPZ-HXUWFJFHSA-N 442.585 3.636 0 40 IHAB Cc1nc([C@@H]2CCCN(C3CCOCC3)C2)nc2c1CCC(=O)N2Cc1ccccc1F 19741413 OJVJXVMGPJEGMN-LJQANCHMSA-N 438.547 3.762 0 40 IHAB O=C(Nc1ccccc1C(=O)NCCN1CCOCC1)c1ccc(-c2ccccc2)cc1 19897339 CCXKVTLSGOVLBX-UHFFFAOYSA-N 429.520 3.668 0 40 IHAB COc1ccc(CSCC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1 20453769 OOKXVWHPDJTWPY-UHFFFAOYSA-N 443.550 3.763 0 40 IHAB O=C(NC1CCCC1)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Br)cc1 20889308 ZRUUJFFVPRNXMG-UHFFFAOYSA-N 449.370 3.873 0 40 IHAB O=C(c1cc(-c2cccs2)on1)N(Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 21786080 ASBIKGQVPMHGLR-HNNXBMFYSA-N 436.942 3.886 0 40 IHAB CCOc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCN(C3CCCC3)CC2)cc1 22929161 MIJDAPWXFJNEBS-RUZDIDTESA-N 446.599 3.770 0 40 IHAB CCCC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)C2CCN(C(=O)C(C)(C)C)CC2)cc1 23266445 LTLWFIFFYDVNEJ-MRXNPFEDSA-N 430.545 3.824 0 40 IHAB Cc1cccc(Nc2nnc(SC[C@@H](O)COCc3ccc4c(c3)OCO4)s2)c1 24094720 SIYUXSIFCPUNNQ-INIZCTEOSA-N 431.539 3.989 0 40 IHAB CCOc1cc(C(=O)N(Cc2ccc(C(N)=O)cc2)C2CC2)cc(OCC)c1OCC 29263378 RUERUVSDYVEMID-UHFFFAOYSA-N 426.513 3.786 0 40 IHAB Cc1cccc(C(=O)N2N=C(c3cccc(Br)c3)C[C@]2(O)C(F)(F)F)c1O 32101421 WQEBLINYUGVAAG-KRWDZBQOSA-N 443.219 3.964 0 40 IHAB O=C(c1ccccc1F)N1CCC(NS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 32927564 OCGOICFYUNKZAJ-UHFFFAOYSA-N 431.316 3.716 0 40 IHAB Cc1nnc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccc2Cl)s1 32994302 MUUDEIZQWXGODL-GOSISDBHSA-N 439.928 3.961 0 40 IHAB CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 35292038 NABWEXVFVVDHOX-OALUTQOASA-N 438.498 3.534 0 40 IHAB CC(=O)N(C)Cc1cccc(NC(=O)Cc2c(C)nn(-c3ccc(F)cc3F)c2C)c1 40133680 JPPONQTYCOOPFZ-UHFFFAOYSA-N 426.467 3.927 0 40 IHAB C[C@@H](Oc1ccc(F)cc1Br)C(=O)NCc1ccn(-c2ccccc2F)n1 40150158 MTQWICKHBXODAJ-GFCCVEGCSA-N 436.256 3.997 0 40 IHAB O=C(CN1CN(c2ccc(F)cc2)c2ncccc2S1(=O)=O)Nc1cccc(Cl)c1 49411568 JNGVRWDWANLFGT-UHFFFAOYSA-N 446.891 3.613 0 40 IHAB NC(=O)C1CCN(c2ccc(NC(=O)/C=C/c3cc(Br)ccc3F)cc2)CC1 58168377 GBRCAQZBCNACPZ-UNXLUWIOSA-N 446.320 3.942 0 40 IHAB COc1ccc(-c2cn(CC(=O)NCc3ccc(C(F)(F)F)cc3)nc2N(C)C)cc1 62006998 KHPMGROUCIMJLD-UHFFFAOYSA-N 432.446 3.960 0 40 IHAB COc1ccc(-c2cc3nn(CC(=O)Nc4ccccc4C(C)C)c(=O)n3c(C)n2)cc1 67226640 NPXLIATUGIGERN-UHFFFAOYSA-N 431.496 3.637 0 40 IHAB Cc1ccc(NC(=O)CN2C(=O)N[C@H](c3cc(C)ccc3C)C3=C2COC3=O)c(Cl)c1 67288736 DVJVNKZCBFSTBP-OAQYLSRUSA-N 439.899 3.781 0 40 IHAB CCOC(=O)C[C@@H](c1ccc(-c2nc3ccccc3s2)o1)c1oc(CO)cc(=O)c1O 71282959 CCSIWCZNIMYICF-ZDUSSCGKSA-N 441.461 3.793 0 40 IHAB CC(C)OCC(=O)N1CCCC[C@@H]1Cc1c(C(=O)N2CCOCC2)sc2ccccc12 72370515 APSIXDAKWRRZQI-GOSISDBHSA-N 444.597 3.722 0 40 IHAB CNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)CCc2ccccc2)CCO1 72389224 WHKIICHXJIUFJX-AREMUKBSSA-N 448.588 3.934 0 40 IHAB Cn1c(SCc2noc([C@@H]3COc4ccccc4O3)n2)nnc1-c1ccccc1F 84307040 AYCALINEWCFNCR-INIZCTEOSA-N 425.445 3.809 0 40 IHAB CC(C)CC(=O)N1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(Cc3ccccc3)[C@H]2CC1 96145853 OWRPJOPGOXOVSR-SFTDATJTSA-N 442.581 3.676 0 40 IHAB COc1cccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3ccc(Br)cc3)n2)c1 96257924 MWIBHPGOVWABLK-ZDUSSCGKSA-N 446.301 3.934 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccccc2S(=O)(=O)Nc2ccccc2)cc1C 96998224 QMZIDRKKONKZQZ-UHFFFAOYSA-N 432.523 3.605 0 40 IHAB Cc1ccc(C(=O)N2CCC[C@H](C(=O)NCc3cc(Cl)c4c(c3)OCCO4)C2)cc1 97259679 BJLDMEHICOQIFS-SFHVURJKSA-N 428.916 3.588 0 40 IHAB O=C(OCc1nnc(-c2cccs2)o1)[C@@H]1[C@H]2CC[C@@H](C2)N1C(=O)NC1CCCCC1 100752544 OPZBRDSNNVTJJO-YEWWUXTCSA-N 430.530 3.737 0 40 IHAB CN1C(=O)[C@]2(Nc3ccccc3C(=O)N2C[C@@H](c2ccccc2)N(C)C)c2ccccc21 101638206 ZUMVUJUNFASJBG-OZXSUGGESA-N 426.520 3.687 0 40 IHAB O=C(NC1CCCCC1)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CCC2 102339919 PASIKBWVDYKATA-UHIXZJCNSA-N 428.554 3.761 0 40 IHAB C[C@H](OC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)C(=O)N[C@H]1CCCC[C@@H]1C 108322908 RVEDZZUDBQELOL-MPGHIAIKSA-N 441.494 3.943 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)cc2)c2ccccc2)cc1OC 113935871 JNPUPQRQEDNROQ-UHFFFAOYSA-N 440.521 3.846 0 40 IHAB CC(=O)OCC(=O)[C@]12OC(C)(C)O[C@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C 118915698 ZGSRADNVNCTCOP-VGQCIYDMSA-N 446.584 3.943 0 40 IHAB in-vitro O=C(NCCCc1ccccc1Cl)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 219753585 QBNJGHNXHLWCMH-IBGZPJMESA-N 441.380 3.896 0 40 IHAB C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 220249261 UKZFXIXPRNEESG-SNVBAGLBSA-N 431.297 3.515 0 40 IHAB CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2cc(-c3cccc(F)c3)[nH]n2)cc1 223048313 DODCQYFUABIPOY-UHFFFAOYSA-N 444.532 3.864 0 40 IHAB CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccccc1OC 223921505 NWNUVIYFCMXHMO-CQSZACIVSA-N 439.339 3.934 0 40 IHAB CSc1cccc(N(CC(=O)Nc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)c1 224971037 KRDHYYITNCIIQM-UHFFFAOYSA-N 433.599 3.804 0 40 IHAB CN(C)S(=O)(=O)c1cccc(C(=O)NCCSCc2c(Cl)cccc2Cl)c1 225419248 PEBYLWYDKPCBSA-UHFFFAOYSA-N 447.409 3.907 0 40 IHAB O=C(Nc1nnc(S(=O)(=O)Nc2cccc(Cl)c2Cl)s1)c1ccccc1 225604880 IRPZEPJPDNZIFP-UHFFFAOYSA-N 429.310 3.898 0 40 IHAB CCOc1ccc2c(c1)OC1(CCN(S(=O)(=O)Cc3ccccc3F)CC1)CC2=O 225821057 WCXFIALUQMEIRU-UHFFFAOYSA-N 433.501 3.554 0 40 IHAB Cc1cc(S(=O)(=O)N2CCC(c3cccc(Nc4ncccn4)n3)CC2)ccc1F 257281461 OPHSMCXDQVKRFK-UHFFFAOYSA-N 427.505 3.631 0 40 IHAB CN([C@H](C(=O)N[C@H]1CC2(CCCCC2)Oc2ccccc21)c1ccccc1)S(C)(=O)=O 260762392 IIASDJQBYJLCNS-UNMCSNQZSA-N 442.581 3.962 0 40 IHAB COc1ccc(CN2C[C@@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccsc2)C3=O)cc1 306134052 NCOCXCUXDLXISR-ZCYQVOJMSA-N 449.576 3.549 0 40 IHAB CCn1nccc1-c1nc(C2CCN(C(=O)c3ccccc3OC(F)(F)F)CC2)no1 390826548 AHYKQOREDMGBTK-UHFFFAOYSA-N 435.406 3.871 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCC(C)C)c(Cl)c2)cc1 408635881 IWLNDHLLQVNLIK-UHFFFAOYSA-N 440.949 3.691 0 40 IHAB CCOc1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(C(C)=O)cc2)cc1 408669137 WSBQTYZZENVREF-UHFFFAOYSA-N 426.469 3.579 0 40 IHAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 408706357 GOZZKRGJSHZASH-MRXNPFEDSA-N 449.548 3.539 0 40 IHAB CCS(=O)(=O)N(C)c1ccc(C(=O)NCCSCc2cccc(Cl)c2)cc1 408706442 UXFNRVPSXUKLBD-UHFFFAOYSA-N 426.991 3.789 0 40 IHAB CCOc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 409061509 DTQUMWMTHSBCQE-JPSPSYKNSA-O 448.930 3.755 0 40 IHAB COc1cc([C@@H](c2c[nH]c3ccccc23)C2C(=O)OC(C)(C)OC2=O)cc(OC)c1OC 409118517 QWDACNXZAWJHJU-IBGZPJMESA-N 439.464 3.778 0 40 IHAB Cn1cc(-c2cc(F)ccc2NC(=O)N[C@@H](Cn2ccccc2=O)c2ccccc2)cn1 504829709 ATPYKXOONQXZEA-QFIPXVFZSA-N 431.471 3.951 0 40 IHAB Cc1cccc(Nc2cc(C)nc([C@@H]3CCCCN3C(=O)/C=C/c3c(C)nn(C)c3C)n2)n1 585293311 ZNDKBXAUHZAYFG-IWGBCORSSA-N 445.571 4.349 0 40 IHAB Cc1cc(C)n(C[C@H]2CN(C(=O)[C@@H](c3ccccc3)N3CCc4ccccc43)CCO2)n1 601008483 YHVKHOVMBOULCX-ILBGXUMGSA-N 430.552 3.531 0 40 IHAB O=C1CCCN1CC(=O)N1CCCCCCCCN(C(=O)C2CC2)c2ccccc2C1 643557120 GIIFNAPROJNPEF-UHFFFAOYSA-N 425.573 3.735 0 40 IHAB COc1cc2cc(CN(C(=S)NCc3ccco3)C3CCCC3)c(=O)[nH]c2cc1OC 895422 FGIZCXJRYCKBHU-UHFFFAOYSA-N 441.553 3.958 0 40 IHAB COc1ccc(-n2c(N)c(C(=O)NCCCOC(C)C)c3nc4ccccc4nc32)cc1 2404007 CKFPSTSRLQXHCV-UHFFFAOYSA-N 433.512 3.709 0 40 IHAB CN(c1ccc(OCC(=O)N2CCc3ccccc3C2)cc1)S(=O)(=O)c1cccs1 3264236 GMKJFVWLMHHKGJ-UHFFFAOYSA-N 442.562 3.537 0 40 IHAB COc1cc(CC(=O)OCC(=O)c2cc(C)n(CC(F)(F)F)c2C)cc(OC)c1OC 3448705 VYNOQGBMZAGAOY-UHFFFAOYSA-N 443.418 3.662 0 40 IHAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc4c(c3)OCCO4)c2)cc1 3478818 WBAJTGUBQOOKGF-UHFFFAOYSA-N 438.505 3.844 0 40 IHAB Cc1ccccc1-n1c(SCC(=O)N2CCOCC2)nnc1-c1ccc(Cl)cc1 3487610 OQMUPLWOBDUZPZ-UHFFFAOYSA-N 428.945 3.847 0 40 IHAB O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)N[C@@H](Cc1ccccc1)C(=O)O 6142013 GUXSBJFILJLILM-QFIPXVFZSA-N 443.455 3.651 0 40 IHAB biogenic C[C@H](C(=O)c1ccc2c(c1)N(C)C(=O)CO2)n1cnc2scc(-c3ccccc3)c2c1=O 8717924 ACQVJRSUXZPLNC-CQSZACIVSA-N 445.500 3.924 0 40 IHAB CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)Oc1ccc2c(c1)OCO2 8825157 BWZWVDZVVVCZPY-UHFFFAOYSA-N 445.427 3.829 0 40 IHAB Cc1cc(C)cc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(CCc3ccccc3)c(=O)n2C)c1 9158228 MCPOZCBEAILDNA-LJQANCHMSA-N 443.551 3.544 0 40 IHAB CCc1ccc(N2C[C@@H](c3nnc(NC(=O)c4ccc(NC(C)=O)cc4)s3)CC2=O)cc1 9198104 IGZAJONCHJEZOL-KRWDZBQOSA-N 449.536 3.832 0 40 IHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCCCn2nc(C)cc2C)cc1 9314474 YCJZPFZUTAAFSW-UHFFFAOYSA-N 440.569 3.535 0 40 IHAB CCCCOc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCO)cc1OC 9409281 FDCHKTAISOZCLH-HSZRJFAPSA-N 437.496 3.507 0 40 IHAB COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)COc1ccccc1OC 9509166 GJCTWICVBDUOJY-UHFFFAOYSA-N 436.464 3.982 0 40 IHAB CCOC(=O)c1oc2ccc(S(=O)(=O)Nc3c(O)c4ccccc4oc3=O)cc2c1C 9560721 YSOILLWULDXCAK-UHFFFAOYSA-N 443.433 3.531 0 40 IHAB O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)Nc1ccccc1C(F)(F)F 9599800 VRIUKRIUPCDNMS-UHFFFAOYSA-N 430.415 3.936 0 40 IHAB Cc1ccccc1NC(=O)COC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 9739298 DRIMCUFDLGEZOI-UHFFFAOYSA-N 442.468 3.730 0 40 IHAB CCn1/c(=N\C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)sc2c3ccccc3ccc21 11726427 SDYXLKUUSSTWLB-GHVJWSGMSA-N 439.562 3.867 0 40 IHAB CC(C)c1ncc(-c2ccccn2)c(-c2ccc(CNC(=O)CN3CCCC3=O)cc2)n1 12220528 SHANNMLTKSJRKQ-UHFFFAOYSA-N 429.524 3.568 0 40 IHAB COc1ccc(-c2noc(CSc3nnc([C@H]4COc5ccccc5O4)n3C)n2)cc1 12745561 DFGATBZMTOPSGQ-QGZVFWFLSA-N 437.481 3.679 0 40 IHAB Cc1ccc(-c2noc(CN3CCN(C(=O)COc4ccccc4C(C)C)CC3)n2)cc1 12757539 PXSJEHASJXQOLZ-UHFFFAOYSA-N 434.540 3.892 0 40 IHAB CC1CCC(NC(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CC1 12823917 TWRLCKRKFYSVGT-UHFFFAOYSA-N 432.508 3.801 0 40 IHAB CCC(=O)NC(=S)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1 12854728 KRKYEKXAOWVQOG-UHFFFAOYSA-N 436.990 3.587 0 40 IHAB CCC(C)(C)NC(=O)[C@H](c1cccnc1)N(Cc1ccccc1F)C(=O)c1csnn1 12871994 UAKDESFZQJBVLV-IBGZPJMESA-N 441.532 3.761 0 40 IHAB COc1ccc(C)cc1[C@@H](C)NC(=O)[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(C)C 12906266 SQLAJOYKOMHGMG-FOIQADDNSA-N 438.977 3.837 0 40 IHAB CCC(C)(C)NC(=O)[C@@H](c1ccccc1F)N(C(=O)Cn1nnc2ccccc21)C1CC1 13024151 JUULSQNVTCMQPI-JOCHJYFZSA-N 437.519 3.608 0 40 IHAB O=C(OCCOc1ccc(F)cc1)c1cccc(C(=O)OCCOc2ccc(F)cc2)n1 13109244 MLUOTXQOWCTPRI-UHFFFAOYSA-N 443.402 3.831 0 40 IHAB COCCNc1nnc(SCC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)s1 13116114 OSGOJVBRAALYPC-UHFFFAOYSA-N 436.559 3.759 0 40 IHAB CN(C)[C@@H](CNC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O)c1ccccc1 13139002 RVYWJFZGSFHNNJ-QFIPXVFZSA-N 429.520 3.635 0 40 IHAB Cc1cc(-c2ccccc2)nc(SCC(=O)N2CCN(C(=O)c3cccs3)CC2)n1 13163693 PVUPPJQRGVJWBI-UHFFFAOYSA-N 438.578 3.590 0 40 IHAB Cc1ccccc1CSc1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1ccc2c(c1)OCO2 13567487 AKASCGHQHXKENY-MRXNPFEDSA-N 435.505 3.584 0 40 IHAB Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2C(C)(C)CO[C@@H]3c2ccc(O)cc2)cc1 13574172 AEHZZYYWBBKBDI-HSZRJFAPSA-N 445.519 3.574 0 40 IHAB COCc1nn2c3c(nnc2c1-c1ccc(OC)cc1)C(=O)C[C@H](c1ccccc1OC)C3 13639426 DDHFYXYQWIAQOM-MRXNPFEDSA-N 444.491 3.868 0 40 IHAB O=C(CCc1nc(-c2ccsc2)no1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 14249263 IMZKGMRCLYQWPJ-UHFFFAOYSA-N 446.554 3.544 0 40 IHAB COc1cc(OC)c(C2=CCN(C(=O)[C@@H]3Oc4ccccc4O[C@H]3C)CC2)c(OC)c1 14350000 MZAPHFJOJWIQMG-NPMXOYFQSA-N 425.481 3.557 0 40 IHAB COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N3[C@@H](C)CCC[C@H]3C)cc2)cc1F 15020329 BPYBLTSUDGDTGA-IYBDPMFKSA-N 434.533 3.967 0 40 IHAB Cc1ccc2c(c1)c1c3n2CCN(S(=O)(=O)c2ccc4c(c2)CCC(=O)N4)[C@@H]3CCC1 15083484 JMWFDOWRWFSACC-JOCHJYFZSA-N 435.549 3.916 0 40 IHAB COc1ccc(NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1OC 15398149 JBGLOENHVYDFGD-UHFFFAOYSA-N 440.521 3.846 0 40 IHAB COc1ccc(CN(C)CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)c(OC)c1 15449145 NYIYFLJKPDAYNT-UHFFFAOYSA-N 447.535 3.704 0 40 IHAB COc1ccc(-c2nc(CN3C(=O)N[C@](C)(c4ccc5c(c4)OCO5)C3=O)cs2)cc1 15513194 LTXMGISDUHQCGS-JOCHJYFZSA-N 437.477 3.515 0 40 IHAB COc1cccc(O[C@H](C)C(=O)N2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4nc(C)cc4N3)C2)c1 19127349 RKEOIDRAERWONJ-GIYDNNGJSA-N 448.514 3.897 0 40 IHAB O=C(c1ccccc1F)N1CCC(O)(Cn2ccc3nc(-c4ccncc4)ccc32)CC1 19347451 XBXANMYNPMGGRM-UHFFFAOYSA-N 430.483 3.905 0 40 IHAB CN(C)C(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(C(=O)c2cccnc2)C1 19579363 LCCPCHOWIFLWDX-AREMUKBSSA-N 428.536 3.697 0 40 IHAB Cc1n[nH]cc1C(=O)N1CC[C@](Cc2ccccc2-c2ccccc2)(C(=O)NC(C)C)C1 19582277 KLBLZACZFYLDAL-AREMUKBSSA-N 430.552 3.985 0 40 IHAB Cc1cc(NC(=O)CN2CCC([C@@]3(C)CCCCN(Cc4ccccc4)C3=O)CC2)no1 19743995 YQVUXKWQOLREBV-RUZDIDTESA-N 438.572 3.853 0 40 IHAB CC(=O)N1CCC[C@H]1c1nc(CN(C)Cc2cccc(OC(C)C)c2)cc(N(C)C)n1 19760260 ZRJMGCNRMRLWGH-QFIPXVFZSA-N 425.577 3.645 0 40 IHAB COc1ccc(NC(=O)c2cnc([C@@H]3CCN(C(=O)CCc4ccccc4)C3)nc2C)cc1 19766069 ZDABXHYRNUXSKS-HXUWFJFHSA-N 444.535 3.995 0 40 IHAB O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)Nc1cc(F)ccc1F 20012306 ZZVQRXMJTQPNPD-UHFFFAOYSA-N 434.439 3.934 0 40 IHAB COc1ccc(C)cc1NC(=O)Cn1c(=O)cc(C(=O)N2CCCCC2)c2ccccc21 20357189 MMNAGFSLCFAWTL-UHFFFAOYSA-N 433.508 3.583 0 40 IHAB CCOc1ccccc1N(CC(=O)N[C@H]1CC(C)(C)Oc2ccc(C)cc21)S(C)(=O)=O 22333038 QNSAQJAWDYOJNB-SFHVURJKSA-N 446.569 3.578 0 40 IHAB COc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1S(=O)(=O)NCc1ccccc1 22537828 UPZHBWMTSANURE-INIZCTEOSA-N 442.512 3.804 0 40 IHAB CCOC(=O)[C@@H]1CCCN(c2c(S(=O)(=O)c3ccccc3)cnc3ccc(F)cc23)C1 22574040 DLEPZQHVFSCIOI-MRXNPFEDSA-N 442.512 3.986 0 40 IHAB O=C(CCN1C(=O)COc2ccccc21)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 23389042 XGPVLFFSVRKXOA-RUZDIDTESA-N 426.476 3.584 0 40 IHAB COc1ccccc1N1CCN(CCS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 23817520 FVHSOTHDWVVCPQ-UHFFFAOYSA-N 429.369 3.598 0 40 IHAB Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2ccc(OCc3c(C)noc3C)cc2)cc1 23883304 FDQPLAJBYSDMJE-RUZDIDTESA-N 449.551 3.982 0 40 IHAB FC(F)(F)c1ccc(N2CCN(c3cc(-c4ccccc4)nc4ncnn34)CC2)nc1 26417431 YYFIPTVPONYMFK-UHFFFAOYSA-N 425.418 3.532 0 40 IHAB CCN(CC)[C@@H](C)CNC(=O)Nc1cc(NC(=O)NC[C@@H](C)N(CC)CC)ccc1C 31099373 ZWYVTDQQXFPBGO-MOPGFXCFSA-N 434.629 3.699 0 40 IHAB COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H](C(=O)O)[C@H]2C(=O)c2ccc(F)cc2)cc1 32597762 LZNDVARHFAXPRW-DAYGRLMNSA-N 445.493 3.774 0 40 IHAB O=C(NCCSCc1cccs1)c1ccccc1S[C@H]1CCS(=O)(=O)C1 32744724 UORCTWVDVMIACG-HNNXBMFYSA-N 427.638 3.691 0 40 IHAB CCOC(=O)C1=C(C)N(Cc2cccs2)C(=O)N[C@H]1c1cc(OC)c(OC)c(OC)c1 32781057 RUCHHMLHXMDGHI-IBGZPJMESA-N 446.525 3.878 0 40 IHAB COc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)cc1 33131332 WIMWEAZMPFZYLY-UHFFFAOYSA-N 436.961 3.843 0 40 IHAB COc1ccc(OC)c(NC(=O)[C@H]2C[C@@H](C(C)C)N[C@]23C(=O)Nc2c(Cl)cccc23)c1 35828273 FWLWZNRQCPFTRS-DLYSWHJUSA-N 443.931 3.777 0 40 IHAB COc1ccc([C@@H](C)NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc1OC 38754850 HBMGGLOMWATYEB-MRXNPFEDSA-N 442.537 3.500 0 40 IHAB O=C1C[C@@]2(CC(c3cccc(Br)n3)=NO2)C(=O)N1c1ccc2ccccc2c1 44903511 IZOPZSDLGDGVFP-NRFANRHFSA-N 436.265 3.824 0 40 IHAB COc1ccc(OC)c(CNC(=O)[C@H]2CCCN(c3ccc(-c4ccccc4)nn3)C2)c1 48990615 WGSSEAPMSVSBIH-IBGZPJMESA-N 432.524 3.694 0 40 IHAB Cc1ccc(NC(=O)Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3ccccc32)cc1C 51357916 CXRLVJLXRGWVFD-UHFFFAOYSA-N 431.467 3.606 0 40 IHAB Cc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1ccc2nsnc2c1 59294066 OZJFMHWMDFXUAO-UHFFFAOYSA-N 437.506 3.972 0 40 IHAB COc1cccc(-n2ccn3c(SCC(=O)c4cccc(Cl)c4)nnc3c2=O)c1 64593634 FHFIYFLBHQCNJD-UHFFFAOYSA-N 426.885 3.517 0 40 IHAB CCCS(=O)(=O)Nc1cccc(C(=O)NCc2c(C(=O)OCC)oc3ccccc23)c1 65592618 DCBQWXLTQRCATO-UHFFFAOYSA-N 444.509 3.691 0 40 IHAB O=S(=O)(c1c[nH]c2ncccc12)N1CCC2(CC1)C[C@H]2c1nnc(-c2ccccc2)o1 71889620 UFUYSFJSJBGSGX-KRWDZBQOSA-N 435.509 3.571 0 40 IHAB Nc1ccc(C(=O)N2CC[C@@H](c3cc(CCOc4cccc(C(F)(F)F)c4)[nH]n3)C2)cn1 72371685 HCQXTWMGWMVBFC-OAHLLOKOSA-N 445.445 3.657 0 40 IHAB Cc1cc(-c2cncnc2)cc([C@H]2CCN(C(=O)Cc3ccc4nc(N)sc4c3)C2)n1 72374698 HVONUAUNWRXWKC-INIZCTEOSA-N 430.537 3.598 0 40 IHAB Cc1nc(COc2cccc(C(=O)N3C[C@H](C(=O)N(C)C)Oc4ccccc43)c2)cs1 89712504 IFNPKUFZFCZBIT-OAQYLSRUSA-N 437.521 3.527 0 40 IHAB CNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](Cc2ccncc2)CC2CCCC2)c1 96011992 RTVNQTLMJWLQIK-QGZVFWFLSA-N 435.977 3.565 0 40 IHAB CCOc1ccc(N(CC(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)S(=O)(=O)c2ccc(F)cc2)cc1 100403605 OVQLTKNEZHCFDV-DRSNIGMVSA-N 446.544 3.725 0 40 IHAB COC(=O)c1ccc(S(=O)(=O)N2CCS[C@@H](c3ccccc3Cl)CC2)cc1 207001386 FEZKAMYBIVMREK-GOSISDBHSA-N 425.959 3.996 0 40 IHAB COc1ccc([C@H](CC(C)C)NC(=O)[C@@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1 216456585 YMYKSFJRZDGIEI-VGSWGCGISA-N 448.585 3.762 0 40 IHAB CC[C@H](NC(=O)[C@H](CC)N(c1ccccc1)S(C)(=O)=O)c1ccc(OC)c(OC)c1 219088537 ZWLKQVJYGUDOGW-OALUTQOASA-N 434.558 3.516 0 40 IHAB COc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)cc(C)cc3C)C2)cc1 223042803 NDNQHKGFZAUADP-PZJWPPBQSA-N 444.597 3.899 0 40 IHAB Cc1cccc(N(CCCC(=O)NCc2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1 223413407 XJJMWHXFJDOHLY-UHFFFAOYSA-N 428.476 3.876 0 40 IHAB COC(=O)c1ccc(NCc2ccncc2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 223415687 QYSXLCQOLMPEAQ-UHFFFAOYSA-N 431.901 3.935 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc3c4c(cccc24)CC3)cc1C(=O)N1CCCC1 224031535 NNNUROJQQIXXLA-UHFFFAOYSA-N 436.533 3.984 0 40 IHAB COc1cccc(CN(C(=O)COc2ccc(Cl)cc2)[C@H](C)C(=O)NCC(C)C)c1 224423027 RBIFJHPVDPSWBZ-QGZVFWFLSA-N 432.948 3.917 0 40 IHAB COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3F)cc2)cc1OC 224528603 AMRABUQCIDQARQ-UHFFFAOYSA-N 430.457 3.896 0 40 IHAB CCc1ccc([C@@H](C)NC(=O)CN(c2ccc(C(F)(F)F)cc2)S(C)(=O)=O)cc1 225120104 AMNAXUJEWRAKMV-CQSZACIVSA-N 428.476 3.911 0 40 IHAB CCOc1ccc(C(=O)N2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)cc1OCC 225733628 RYGUOGVYBYUPOS-UHFFFAOYSA-N 438.450 3.564 0 40 IHAB C[C@@]12CC[C@@H](C[C@@H]1C(=O)N1CC[C@H](O)[C@@H]3CCCC[C@H]31)[C@@]1(C2)NC(=O)c2ccccc2N1 253596972 YQJQGTKZTQTWNK-ZQANBSGXSA-N 437.584 3.517 0 40 IHAB CC(C)n1cnc([C@H]2CN(Cc3cccs3)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 306123137 AFNOWIHCNVJUDF-QPPBQGQZSA-N 435.597 3.939 0 40 IHAB Cc1ccc(CN2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccccc2)C3=O)s1 306123355 AKWSGNDEJDIKAF-UKILVPOCSA-N 433.577 3.849 0 40 IHAB C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408704591 QDGOFEJBNJHUPG-NSHDSACASA-N 445.324 3.558 0 40 IHAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCc2cccc(Cl)c2)cc1 408710104 OTTOWAMTOSBMFK-UHFFFAOYSA-N 435.911 3.833 0 40 IHAB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCc3cccc(C(=O)O)c3)cc2)C1=O 409069901 YMVYLPKXUMNSHG-VBEHJTROSA-N 441.461 3.562 0 40 IHAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(-c3ccccc3)cc2)C1=O 409239899 NZOHRTDTADVQNP-RCCKNPSSSA-N 427.460 3.894 0 40 IHAB Cc1ccc(N([C@H](C)C(=O)Nc2ccc(Br)cc2F)S(C)(=O)=O)cc1 409411362 HBVOZAFKKDZNOE-GFCCVEGCSA-N 429.311 3.690 0 40 IHAB Cc1cc(Br)ccc1Cc1nc(O)c2c3c(sc2n1)CS(=O)(=O)CC3 538672980 BVFWVDSBHJOXKK-UHFFFAOYSA-N 439.356 3.530 0 40 IHAB NC(=O)c1cc([C@H]2CCCN(C(=O)Nc3c(F)cc(F)cc3-c3ccccc3)C2)[nH]n1 541706176 HTDLVTQLWRLTDF-AWEZNQCLSA-N 425.439 3.865 0 40 IHAB Cc1nc([C@H]2CCN(C(=O)c3ccccc3)C2)nc(C)c1CC(=O)NCc1ccc(F)cc1 585169057 ZGTBMFQFVRFSQM-NRFANRHFSA-N 446.526 3.721 0 40 IHAB COc1ccc([C@H](CC(=O)NC[C@H]2OCCc3ccccc32)c2oc(C)cc(=O)c2O)cc1 1547139724 YUFUOABAMGLQSW-JTHBVZDNSA-N 449.503 3.615 0 40 IHAB biogenic O=C(NCCc1ccc(F)cc1)[C@@H]1CN(CC2CCOCC2)[C@H]2c3ccccc3OC[C@@H]12 1772595732 KUAJJPHHLKWPCM-CUYJMHBOSA-N 438.543 3.593 0 40 IHAB Cc1nc([C@H]2CC[C@@H](O)[C@H](NC(=O)Nc3ccc(F)c(F)c3)C2)n(-c2ccccc2)n1 2332241600 MGKUXEFJKHFXCD-VHKYSDTDSA-N 427.455 3.673 0 40 IHAB CC(C)[C@H](C(=O)OCC(=O)Nc1ccc(Cl)c(Cl)c1)N1C(=O)c2ccccc2C1=O 1917064 UYCZFEXXAIKZDR-GOSISDBHSA-N 449.290 3.796 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)OCc2nnc(-c3ccccc3)o2)cc1 2619487 KFFNEXKXWAAPLY-NTCAYCPXSA-N 441.509 3.524 0 40 IHAB O=C(N[C@H](Cc1ccccc1)C(=O)OCC(=O)N1CCCc2ccccc21)c1ccccc1 3267380 NDXZUWASZWVACR-HSZRJFAPSA-N 442.515 3.550 0 40 IHAB COc1ccc(Cn2c(N)c(C(=O)NCc3ccco3)c3nc4ccccc4nc32)cc1 3311026 MPYWRQURLVGNED-UHFFFAOYSA-N 427.464 3.747 0 40 IHAB CCc1ccccc1NC(=O)CN(C)C(=O)COc1cc2oc(=O)cc(C)c2cc1Cl 3449078 OUNJPLGKLHEVPS-UHFFFAOYSA-N 442.899 3.793 0 40 IHAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1 3453557 QCZCTBDRMONELU-GOSISDBHSA-N 444.553 3.662 0 40 IHAB COc1cc2nc(SCC(=O)NC3CC3)n(CCC3=CCCCC3)c(=O)c2cc1OC 3455341 MKGMKUWUBMYLNF-UHFFFAOYSA-N 443.569 3.675 0 40 IHAB C[C@@H](OC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)C(=O)Nc1ccccc1F 3482361 XOJZWCAGTDTOND-CQSZACIVSA-N 432.407 3.810 0 40 IHAB CC(C)N(C(=O)CN1C(=O)N[C@](C)(c2ccccc2Br)C1=O)c1ccccc1 3594320 SSXKWTSVPRHLOB-OAQYLSRUSA-N 444.329 3.658 0 40 IHAB CCOc1ccc(NC(=O)CN2CCc3cc4c(cc3C2)OCCCO4)cc1OCC 5349946 LSUXDKPOLPBAMN-UHFFFAOYSA-N 426.513 3.642 0 40 IHAB C[C@@H](OC(=O)CNC(=O)c1sc2ccccc2c1Cl)c1nc2ccccc2c(=O)[nH]1 8630534 YDKNHOCNQMMWNY-LLVKDONJSA-N 441.896 3.825 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(S(=O)(=O)c2ccccc2)CC3)s1 8840290 LVXVGKKVIXQLQT-UHFFFAOYSA-N 448.591 3.604 0 40 IHAB CCN1CCc2c([nH]c3ccccc23)[C@@H]1c1c(O)nc(O)n(-c2cccc(Cl)c2)c1=O 8994706 DXMNQVGVGLLPHX-FQEVSTJZSA-N 436.899 3.746 0 40 IHAB CCOc1ccc([C@@H]2Nn3c(CC)nnc3S[C@@H]2C(=O)Nc2ccc(F)cc2)cc1 9197470 PKSKICXSGIJVHW-OALUTQOASA-N 427.505 3.776 0 40 IHAB CCOc1ccc([C@@H]2Nn3c(nnc3-c3ccccc3)S[C@H]2C(=O)N2CCCC2)cc1 9238483 UZEGDIKKXKRMQF-VQTJNVASSA-N 435.553 3.725 0 40 IHAB O=c1cc(CSc2nnc(-c3ccc(F)cc3)n2C[C@H]2CCCO2)nc2sccn12 9316595 JMZZOYFHGKFTKD-MRXNPFEDSA-N 443.529 3.625 0 40 IHAB CC(=O)N1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3cccnc3)=NN12 9432058 DGLHBEUYRLKNBV-IBGZPJMESA-N 441.329 3.726 0 40 IHAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCc1ccc(Oc3ccc(F)cc3)cc1)C2=O 9579731 WCIGQJOUYMYJNV-UPCLLVRISA-N 439.487 3.735 0 40 IHAB O=C1CN(C(=O)COC(=O)CCCOc2ccc(Cl)cc2Cl)c2ccccc2N1 9661717 YYVLZZKKPYFLRR-UHFFFAOYSA-N 437.279 3.681 0 40 IHAB CCOc1ccc(C(=O)N[C@@H](C(=O)NCCc2ccc(OC(F)F)cc2)C(C)C)cc1 9832049 VSKJMXVEIMUIPE-HXUWFJFHSA-N 434.483 3.800 0 40 IHAB COc1ccc([C@@H]2N(C(=O)Nc3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1 9972165 LQWWXTBVPMVHDW-JOCHJYFZSA-N 437.521 3.932 0 40 IHAB CC(C)(C)NC(=O)NC(=O)COC(=O)c1c(NC(=O)C2CCCCC2)sc2c1CCC2 10932328 UJIMJHLFSWJKAA-UHFFFAOYSA-N 449.573 3.537 0 40 IHAB CCOC(=O)Nc1ccc2c(COC(=O)c3cc(Cl)c(N)cc3OC)cc(=O)oc2c1 11457856 BHTOFXFBXARRKS-UHFFFAOYSA-N 446.843 3.963 0 40 IHAB COc1cccc(-n2c(C)nnc2SCC(=O)Nc2ccc(NC(C)=O)c(Cl)c2)c1 12538651 PVSHRILWYREEOG-UHFFFAOYSA-N 445.932 3.927 0 40 IHAB C[C@H](NC(=O)CNc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc2ccccc2c1 12597248 XSVCNQUXUKDJQO-SFHVURJKSA-N 437.565 3.914 0 40 IHAB O=C(C[C@@H](NS(=O)(=O)c1ccc(F)c(F)c1F)c1ccc(F)cc1)N1CCCCC1 12781456 IPXYFQZFPPUKCC-MRXNPFEDSA-N 444.450 3.665 0 40 IHAB COCCCN1CC(=O)N2C[C@@H](c3ccc(C)cc3)c3c([nH]c4ccccc34)[C@@]2(C)C1=O 12873455 MPBMZTAOQVLGGE-FNZWTVRRSA-N 431.536 3.544 0 40 IHAB biogenic CCN1CCC(NC(=O)CSc2nnc(COc3ccccc3)n2CCC(C)C)CC1 12901872 WTZWBXUPUWEIEK-UHFFFAOYSA-N 445.633 3.596 0 40 IHAB Cc1cc(NC(=O)CN2CCC(C(=O)N3CCCCCC3)CC2)ccc1Br 12913270 PGMQFMAWDUXPCN-UHFFFAOYSA-N 436.394 3.811 0 40 IHAB CNC(=O)[C@H]1CN(C(=O)c2cc(-c3cccs3)nn2-c2ccccc2)c2ccccc2O1 13115687 MTBJLROFQKQCFA-OAQYLSRUSA-N 444.516 3.755 0 40 IHAB COc1cc([C@H](c2nnnn2CCc2ccccc2)N2CCc3ccccc3C2)ccc1O 13496284 VZLIQNCGTLYFOW-RUZDIDTESA-N 441.535 3.778 0 40 IHAB Fc1ccc(Cn2nnnc2[C@H](c2ccccc2F)N2CCN(c3ccccc3)CC2)cc1 13504856 ZOQGHEXXBAEYRF-DEOSSOPVSA-N 446.505 3.911 0 40 IHAB COc1cccc([C@H]2CC(=O)Nc3nc(SCc4ccccc4C)[nH]c(=O)c32)c1OC 13567348 STCMUHXZEUVFIQ-MRXNPFEDSA-N 437.521 3.862 0 40 IHAB O=C1COc2ccc(C(=O)CSc3nnc(-c4ccoc4)c(-c4ccoc4)n3)cc2N1 13568961 DJMYANRAPKHTIH-UHFFFAOYSA-N 434.433 3.698 0 40 IHAB COC(=O)c1c(NC(=O)[C@H](C)Sc2ncnc3nc[nH]c23)sc2c1CCCCC2 13572726 SCEKWGDRCLLZDZ-JTQLQIEISA-N 431.543 3.589 0 40 IHAB COc1ccc(C(=O)N/C(=C\c2cn(C)c3ccccc23)C(=O)NCc2ccccn2)cc1 13692935 ILGZQYKIIIERLK-HAHDFKILSA-N 440.503 3.669 0 40 IHAB O=C(NCCOc1ccc2nnc(-c3ccccc3Cl)n2n1)Nc1ccc(F)cc1F 13706647 NRPGIDZAXZZWPG-UHFFFAOYSA-N 444.829 3.923 0 40 IHAB CC[C@H](C(=O)NCCSCc1ccccc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716257 VQCBZGDXAPCMHC-OAQYLSRUSA-N 434.627 3.898 0 40 IHAB Cc1cc(C)nc(Sc2nc(Sc3nc(C)cc(C)n3)nc(N3CCCCC3)n2)n1 13893325 WFUMLCGWXKMUTJ-UHFFFAOYSA-N 440.602 3.978 0 40 IHAB O=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2ccccc21)Nc1ccccc1Cl 13992392 FCWSIKFXMPQMKN-UHFFFAOYSA-N 433.895 3.698 0 40 IHAB O=C(CN[C@@H](c1ccccc1)c1cccs1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 14197847 BABRYUNQKRUTIO-REWPJTCUSA-N 440.590 3.647 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(Cc3ccc(F)cc3)C3CC3)CC2)cc1 14255103 NCPOCDOGCWRLGR-UHFFFAOYSA-N 430.545 3.726 0 40 IHAB O=C(Nc1ccc(Cl)cc1Cl)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 15432102 RGEHZEHDJQMCKD-AWEZNQCLSA-N 429.325 3.703 0 40 IHAB C[C@H](SCc1nc(N)nc(Nc2ccc(F)cc2)n1)C(=O)Nc1cc(F)ccc1F 15496366 ARKAKGHDFMENLY-JTQLQIEISA-N 434.447 3.875 0 40 IHAB CCN1c2ccccc2-c2nc(SCC(=O)Nc3ccc(C)cc3)ncc2S1(=O)=O 15731753 HFNQWFYUMCOTJZ-UHFFFAOYSA-N 440.550 3.711 0 40 IHAB O=C(CSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)[nH]1)NCc1ccccc1 17179155 HMEMOLTYVQJTAF-UHFFFAOYSA-N 440.575 3.913 0 40 IHAB CC(=O)Nc1ccc(CCC2(NC(=O)C[C@H]3NC(=O)c4ccccc43)CCCCC2)cn1 19022706 FGDPBJBQXPNJCL-OAQYLSRUSA-N 434.540 3.667 0 40 IHAB CO[C@H]1CCC[C@@H](C(=O)NC2CCN(c3ncc(-c4cc(C)no4)c(C4CC4)n3)CC2)C1 19121699 HKZVMCFSWJIHFT-MJGOQNOKSA-N 439.560 3.608 0 40 IHAB CCC(C)(C)NC(=O)COC(=O)c1ccccc1NC(=O)CCc1ccc(OC)cc1 19183374 NPRXPUFISZACNF-UHFFFAOYSA-N 426.513 3.728 0 40 IHAB Cc1cccc2cc([C@@H](c3nnnn3C(C)(C)C)N3CCc4ccccc4C3)c(=O)[nH]c12 19236412 AXEHOKMPJRAXCV-QFIPXVFZSA-N 428.540 3.726 0 40 IHAB CCCn1ncc(CN2CCC(C[C@@H]3CC(c4ccc(F)cc4)=NO3)(C(=O)O)CC2)c1C 19525932 LFDJHMNJXANSSU-NRFANRHFSA-N 442.535 3.991 0 40 IHAB Cc1nc(C2CCN(C(=O)Cn3nc(C)c(Cl)c3C)CC2)sc1-c1ccncn1 19578012 PPFHYIVJQOLKHA-UHFFFAOYSA-N 430.965 3.781 0 40 IHAB CN1CCN(C(=O)Cc2cccnc2)C[C@@H](Cc2ccccc2-c2cccc(F)c2)C1=O 19589587 ONWKFIORQMHJJA-JOCHJYFZSA-N 431.511 3.590 0 40 IHAB COc1ncc([C@]2(O)CCC[C@@H]3CN(Cc4c(Cl)cccc4Cl)C[C@@H]32)c(OC)n1 19594811 AOOHBQGNRSBNOQ-ZQWRNJAYSA-N 438.355 3.920 0 40 IHAB Cc1nc2ccccn2c1CC(=O)N1CCC[C@@H](c2ccc(-c3ccc(N)nc3)cn2)C1 19689243 OBQNDUJYVZZNKC-HXUWFJFHSA-N 426.524 3.631 0 40 IHAB Cc1cc(C)nc(NCCC(=O)N2CCO[C@@H](c3ccc(-c4ccccc4F)cn3)C2)n1 19693494 FKKDCGBGMYHAAE-JOCHJYFZSA-N 435.503 3.697 0 40 IHAB CCOCc1ccc(C(=O)N2CC[C@@](Cc3cc(C4CCCCC4)no3)(C(N)=O)C2)cc1 19739211 BTZGMMXVVIDWMK-VWLOTQADSA-N 439.556 3.819 0 40 IHAB O=C([C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1)N1CCCc2ccccc21 19861164 AFCUNUKDKYQGKS-IBGZPJMESA-N 432.973 3.861 0 40 IHAB CCC(CC)[C@H](CNC(=O)CCn1c(-c2cccc(C)c2)n[nH]c1=S)N1CCOCC1 22898878 SPWQZXABBFNIPG-FQEVSTJZSA-N 445.633 3.559 0 40 IHAB O=C(Nc1cccc(F)c1)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 24613539 NCXUFKKZDCUHCQ-UHFFFAOYSA-N 428.888 3.799 0 40 IHAB O=c1c2cc(Cl)cc(Cl)c2ncn1C[C@H](O)COc1ccc(Br)cc1 24991289 MULGNHXEVALLEM-LBPRGKRZSA-N 444.112 3.906 0 40 IHAB CC(=O)c1ccc(N2CCN(C(=O)CNc3ccc(Br)cc3)CC2)c(F)c1 29006373 SBZYDGXKQBBLSQ-UHFFFAOYSA-N 434.309 3.552 0 40 IHAB COc1cccc(-n2cnc3cc(C(=O)Nc4cccc(NC(C)=O)c4)ccc3c2=O)c1 32096922 YJQGBIRQNOUWKP-UHFFFAOYSA-N 428.448 3.605 0 40 IHAB COc1ccc(-c2nc(NC(=O)CCN3C(=O)[C@H]4CCCC[C@@H]4C3=O)sc2C)cc1 32981883 VMJILGNOZBRJAU-IRXDYDNUSA-N 427.526 3.631 0 40 IHAB CCOc1cc(C)ccc1OCc1nnc(SCC(=O)NCc2ccccc2)n1CC 33579077 FURACSMYDQNBEP-UHFFFAOYSA-N 440.569 3.993 0 40 IHAB OCCN1CCN([C@H]2Cc3ccc(F)cc3Sc3ccc(Br)cc32)CC1 33884267 LDEZXABKDITBRB-SFHVURJKSA-N 437.378 3.947 0 40 IHAB COC(=O)[C@H]1SC(c2ccc(OC)cc2)=C[C@H]2C1=C(O)C(=O)N2c1ccc(OC)cc1 35193519 SUMFSRMKABIKMS-UWJYYQICSA-N 439.489 3.561 0 40 IHAB COc1cccc(-c2noc(-c3ccc(S(=O)(=O)N(C)Cc4ccccc4)o3)n2)c1 36358773 NNFFZEYITVHDHT-UHFFFAOYSA-N 425.466 3.826 0 40 IHAB O=C(COC(=O)COc1ccc(Cl)cc1)Nc1cc(C2CC2)nn1-c1ccccc1 40057253 AZAPEZOGAKHWCT-UHFFFAOYSA-N 425.872 3.964 0 40 IHAB Cc1occc1C(=O)Nc1nc(CC(=O)NC[C@@H](C(C)C)N2CCC(C)CC2)cs1 40134043 XLRWRYCKRBCIIJ-IBGZPJMESA-N 432.590 3.712 0 40 IHAB Cc1cc(N2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)nc(NC2CCCCC2)n1 49028109 WZJUHPZPRMLUBK-UHFFFAOYSA-N 447.539 3.598 0 40 IHAB O=S(=O)(c1csc(-c2ccc(Br)cc2)n1)N1CCO[C@@H]2CCCC[C@@H]21 58175102 AYMRJRDJJQJWPU-LSDHHAIUSA-N 443.388 3.905 0 40 IHAB Cc1cc(N2CCSCC2)ccc1NS(=O)(=O)c1cc(C(=O)O)c(F)cc1Cl 60266398 MMXUJVAIPUPJMT-UHFFFAOYSA-N 444.937 3.840 0 40 IHAB COc1ccc(C(=O)Nc2ccc3c(c2)nc(CN2CCOCC2)n3C(C)C)cc1OC 65322422 RMHONJFGAIJKSX-UHFFFAOYSA-N 438.528 3.719 0 40 IHAB COc1cccc(OCC(=O)OCC(=O)c2ccc(-n3nncc3-c3cccs3)cc2)c1 65595644 UDRLXXNQYTYECG-UHFFFAOYSA-N 449.488 3.809 0 40 IHAB CCN(CC)[C@H](CNC(=O)CCc1nc2ccccc2c(=O)n1C1CC1)c1ccccc1 69367318 WQBOUCGCRVLNJV-HSZRJFAPSA-N 432.568 3.863 0 40 IHAB COc1ccc(NC(=O)CN2C(=O)C(c3ccccc3)=NC23CCC(C)CC3)c(OC)c1 71327850 HDKYBQIEYUXCNW-UHFFFAOYSA-N 435.524 3.880 0 40 IHAB O=C(NC1CCCCC1)c1cc([C@@H]2CCCN(Cc3ccc4c(c3)OCCO4)C2)no1 72352785 QQYGGRJEFMFLHD-GOSISDBHSA-N 425.529 3.888 0 40 IHAB Cc1nc(Cn2c(C)nc3ccccc32)cc(N[C@H](CN2CCOCC2)c2ccccc2)n1 72373367 YQHIJATXUBBBJF-XMMPIXPASA-N 442.567 3.977 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)COc1ccc(C)c(C)c1 89643234 OTVBSWHDIZRBMT-UHFFFAOYSA-N 446.569 3.894 0 40 IHAB CCOC(=O)CN(CCOC)c1nc(-c2cccnc2)nc2sc3c(c12)CCCC3 89983738 YFRXIRIYCBRTJP-UHFFFAOYSA-N 426.542 3.648 0 40 IHAB COC1CCN(c2ccc(NC(=O)Cc3ccc(S(=O)(=O)C(C)C)cc3)cc2)CC1 96104468 PFTZMNRMVAOVEE-UHFFFAOYSA-N 430.570 3.665 0 40 IHAB COc1cccc(C(=O)N2CCC3(CC2)c2ncc(-c4cccc(F)c4)n2CCN3C)c1 96144946 GQZCIVJTMHCBEA-UHFFFAOYSA-N 434.515 3.775 0 40 IHAB CC[C@@H]1CCCCN1c1nc(=O)c2c([nH]1)NC(=O)C[C@H]2C(=O)Nc1ccc(C)cc1Cl 139121346 WMIVTFULSPGBQU-ZIAGYGMSSA-N 443.935 3.565 0 40 IHAB COc1ccccc1O[C@@H](C)C(=O)N(C)Cc1nc(-c2cccc(Br)c2)no1 219507662 HESJNYXFMVYWOK-ZDUSSCGKSA-N 446.301 3.934 0 40 IHAB CC[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220582338 INGVDQJSCFBNNR-OAQYLSRUSA-N 443.569 3.614 0 40 IHAB CC[C@H](C(=O)NCc1ccccc1OC)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 220693706 VSTAWPUNCFFGOB-QGZVFWFLSA-N 445.368 3.863 0 40 IHAB Cc1ccc(CSCCNC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)cc1 222491367 UGRXQRXTQMFYPU-UHFFFAOYSA-N 426.991 3.707 0 40 IHAB CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccccc1F 223030847 BQAJRGJZGRZBKQ-CQSZACIVSA-N 437.309 3.520 0 40 IHAB CC(C)c1nc(Cc2ccc(NC(=O)c3cnc4sc5c(n4c3=O)CCCC5)cc2)no1 223042783 AVJNJZJNDKUYKM-UHFFFAOYSA-N 449.536 3.984 0 40 IHAB COC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3F)c2)c1 224159101 WNQOYULZRHCWFP-UHFFFAOYSA-N 442.468 3.690 0 40 IHAB COC(=O)c1ccccc1NC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccccc2)c1 224289466 NGDVSVJQCNGDAL-UHFFFAOYSA-N 438.505 3.859 0 40 IHAB Cc1c(Cl)cccc1N(CC(=O)NCc1cccc(C(F)(F)F)c1)S(C)(=O)=O 225107557 NMWDUSHHSDCWOE-UHFFFAOYSA-N 434.867 3.750 0 40 IHAB Cc1ccc(CNC(=S)Nc2nc(Sc3ncccn3)cc(N3CCCCC3)n2)o1 225914922 CSIJBXKNTYOZBA-UHFFFAOYSA-N 441.586 3.796 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)N2CCC(C(=O)N[C@H](C)CCc3ccccc3)CC2)c1 225926851 RYIRCXIRGSNOEG-HXUWFJFHSA-N 428.598 3.842 0 40 IHAB Cc1cc(Nc2ncccc2C)cc([C@@H]2CN(CC(=O)Nc3ccc(F)cc3)CCO2)n1 257227196 FOBGYTOJLZOBKA-QFIPXVFZSA-N 435.503 3.988 0 40 IHAB COc1cc(C(=O)N2CCN(C)[C@H](c3ccccc3OC)C2)ccc1OCc1ccccn1 257310955 UHIFVAFHWIRZEC-QFIPXVFZSA-N 447.535 3.807 0 40 IHAB COc1ccc(F)cc1-c1cccc(CC2(C(=O)N3CCC[C@H](O)C3)CCOCC2)c1 257334585 YGOSGUPQYLEXFS-NRFANRHFSA-N 427.516 3.824 0 40 IHAB C[C@@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)c1ccc2c(c1)CCC2 260949416 XCWLZHHMUITVDH-QVKFZJNVSA-N 432.973 3.859 0 40 IHAB Cc1cccc(N(CC(=O)NCc2ccncc2)S(=O)(=O)c2ccc(Cl)cc2)c1 408546284 DJLQFACYNQMHHD-UHFFFAOYSA-N 429.929 3.555 0 40 IHAB COc1ccc(C(=O)CN(C(=O)c2ccccc2Cl)N2C(=O)c3ccccc3C2=O)cc1 408657453 UFZIQUWDWOKYDJ-UHFFFAOYSA-N 448.862 3.885 0 40 IHAB COc1ccc(N2C[C@H](C(=O)O[C@@H](C)C(=O)c3ccc(Cl)cc3)CC2=O)c(OC)c1 408663968 YLJZXOJWNUFTJP-DZGCQCFKSA-N 431.872 3.525 0 40 IHAB CCOc1ccc(NC(=O)CSc2nc(O)c(C)c(=O)n2-c2ccc(C)cc2)cc1 408897205 QRHHYZFXXRFTPG-UHFFFAOYSA-N 425.510 3.684 0 40 IHAB COc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccccc3Cl)[C@@H]2c2ccc(C)cc2)cc1 409062220 QDBYZKXYRLOGTK-VNGKGULCSA-O 448.930 3.673 0 40 IHAB CCc1ccccc1N1C(=O)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)C1=O 409299967 WKDXIXKNGFMCFS-SZPZYZBQSA-N 443.455 3.573 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3ccccc3)CC2)cc1Cl 409361149 QJJJCXLBEIYQOZ-OAHLLOKOSA-N 436.961 3.627 0 40 IHAB Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(Cc3cnn(-c4ccc(F)cc4)c3)C2)cc1 513155735 XZIRPSYOUJKVSH-LJQANCHMSA-N 442.560 3.510 0 40 IHAB O=C(c1cc2c(nc1O)CCCC2)N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn23)C1 517593211 VFWCBWYVFQSWNI-CQSZACIVSA-N 445.445 3.747 0 40 IHAB Cc1ccc2c(c1)C(=O)N(CC(=O)Nc1nc3c(s1)C[C@@H](c1ccccc1)CC3)C2=O 520639888 BMDKAFDNLSJAHU-INIZCTEOSA-N 431.517 3.959 0 40 IHAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NCc2nc(C3CCC(F)(F)CC3)no2)C1 575615129 BWWXWBMSSWRVNB-AWEZNQCLSA-N 428.480 3.626 0 40 IHAB Cc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2C)CC(C)(C)OC4)cc1 1244390 JLXZLEIIEPUYBY-UHFFFAOYSA-N 429.567 3.886 0 40 IHAB CC(C)CCNC(=O)c1c(N)n(Cc2ccc3c(c2)OCO3)c2nc3ccccc3nc12 2264753 UVFRFIDUCQQZLS-UHFFFAOYSA-N 431.496 3.720 0 40 IHAB aggregator O=C(NCCN1C(=O)S/C(=C\c2ccc(OC(F)F)cc2)C1=O)c1ccccc1F 2646024 GEDIHVJIBYMDMO-WJDWOHSUSA-N 436.411 3.893 0 40 IHAB CCOc1ccc(NC(=O)CSc2nnc(-c3cccc(Br)c3)n2N)cc1 2684309 CXPWOWFWWSENES-UHFFFAOYSA-N 448.346 3.551 0 40 IHAB O=C(COC(=O)/C=C/c1ccccc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 3249822 CNBDGYPTZLGZGI-RMKNXTFCSA-N 434.414 3.737 0 40 IHAB COc1ccccc1C(=O)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C 3402301 FOUYTPONQWPSJP-UHFFFAOYSA-N 438.553 3.837 0 40 IHAB C[C@@H](OC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)C(=O)N1CCc2ccccc21 3544868 WBIREPISLPVXQB-MRXNPFEDSA-N 440.455 3.622 0 40 IHAB COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(F)c1 8810608 COBUWQMVKPNNRZ-JTQLQIEISA-N 435.304 3.698 0 40 IHAB CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(N2CCC[C@@H](C)C2)s1 8912465 BJKBDPNXSFFLIP-OAHLLOKOSA-N 442.628 3.704 0 40 IHAB CC(C)CCC[C@H](C)NC(=O)[C@H](C)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 8918475 DVUZCEVUSFTGRH-TZPNTHKFSA-N 438.572 3.923 0 40 IHAB biogenic CCCNc1nc(SCC)nc2c1cnn2CCNC(=O)CCCc1ccccc1 8948124 FAMSZRBDRICJFK-UHFFFAOYSA-N 426.590 3.899 0 40 IHAB COc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3ccc(Br)cc3)n2)cc1 9031580 IEOGKMGQOYOPDX-GFCCVEGCSA-N 432.274 3.591 0 40 IHAB O=C(Nc1nnc(SCc2ccc(Cl)cc2)s1)c1ccccc1-n1cnnn1 9127509 FMSYCHTWHKVZMV-UHFFFAOYSA-N 429.918 3.712 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(Cl)cc2F)c1 9128049 XYNDOYFBTUSPPB-UHFFFAOYSA-N 434.942 3.619 0 40 IHAB CCOc1ccc(-n2ccc(=O)c(C(=O)Nc3nc4ccc(OCC)cc4s3)n2)cc1 9206190 MZRMJGKZRMCABI-UHFFFAOYSA-N 436.493 3.892 0 40 IHAB C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1=O 9222630 JCDDZGPMECFHSA-VWLOTQADSA-N 437.515 3.954 0 40 IHAB Cc1cc(C(=O)CSc2nnnn2C(C)(C)C)c(C)n1Cc1ccc2c(c1)OCO2 9257021 IRNJCQHHQJFBBG-UHFFFAOYSA-N 427.530 3.598 0 40 IHAB COc1ccc(-c2noc([C@@H]3CC(=O)N(c4cc(Cl)ccc4OC)C3)n2)cc1OC 9318595 SYNWKZZOSYIXMM-CYBMUJFWSA-N 429.860 3.936 0 40 IHAB CCOC(=O)c1c(NC(=S)Nc2cccc(S(=O)(=O)N(C)C)c2)sc(C)c1C 9562277 IRSCVZMNNDTSET-UHFFFAOYSA-N 441.600 3.601 0 40 IHAB O=C(COC(=O)CCC(=O)c1ccc2c(c1)OCCCO2)N[C@@H]1CCCc2ccccc21 9577690 ZQMBMPBUWSDCJL-HXUWFJFHSA-N 437.492 3.548 0 40 IHAB O=C(COC(=O)/C=C/c1cccs1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 9585950 YKPFPROKWCLNHA-GQCTYLIASA-N 440.443 3.799 0 40 IHAB CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc4ncsc4c3)c2C(=O)OC)C1 9639132 HFSCASNZEFJLBW-UHFFFAOYSA-N 445.522 3.911 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCCCc1cccc(C)c1 10110816 ZDFLXMRQQATJPQ-UHFFFAOYSA-N 444.597 3.931 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc4c(F)cccc4s3)CC2)cc1 10337615 DAJIBQXOKVWSJM-UHFFFAOYSA-N 433.530 3.783 0 40 IHAB CCOCc1c(C(=O)OCC(=O)N[C@@H](C)c2ccc3c(c2)OCO3)oc2ccccc12 11243618 SVFAIJFBRFUMSB-AWEZNQCLSA-N 425.437 3.732 0 40 IHAB O=C(c1cc(-c2ccccc2)on1)N(Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 12062467 TYXAQOSVTYHWJJ-QGZVFWFLSA-N 430.913 3.825 0 40 IHAB CCCOC(=O)c1ccc(NC(=S)NC(=O)CCC(=O)OCCc2ccccc2)cc1 12137252 QIAUXUGOABMEFO-UHFFFAOYSA-N 442.537 3.633 0 40 IHAB O=C(Cc1c(Cl)cccc1Cl)N1CCC2(CC1)C[C@](O)(c1nccs1)CO2 12184354 HTIMBBZCLYJADQ-LJQANCHMSA-N 427.353 3.662 0 40 IHAB Cc1ncc(-c2ccccn2)c(-c2ccc(CNC(=O)c3c(C)cc(C)[nH]c3=O)cc2)n1 12222950 OYGJDHLHCAWUGG-UHFFFAOYSA-N 425.492 3.749 0 40 IHAB O=S(=O)(c1ccc(-c2csc(Cc3nnc4n3CCCCC4)n2)cc1)N1CCCC1 12568603 MIJWWXRWICUERE-UHFFFAOYSA-N 443.598 3.503 0 40 IHAB O=C(COc1ccc(Cl)cc1)Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2 12817859 XWDMSORPOMQMLO-UHFFFAOYSA-N 434.945 3.770 0 40 IHAB CC(C)(C)NC(=O)[C@@H](c1ccc(F)cc1)N(Cc1ccccc1)C(=O)c1csnn1 12871546 UYGGFTPEMLGWSP-LJQANCHMSA-N 426.517 3.976 0 40 IHAB O=C(NCCc1ccccc1)[C@@H](c1cccnc1)N(C(=O)c1csnn1)C1CCCCC1 12873855 QBABMXIBLWGJSS-JOCHJYFZSA-N 449.580 3.808 0 40 IHAB CC(C)(C)C(=O)COC(=O)c1ccccc1SCC(=O)NCc1ccc2c(c1)OCO2 12925679 IIQRUEMJQYOHTK-UHFFFAOYSA-N 443.521 3.596 0 40 IHAB C[C@H]1CN(Cc2csc(NC(=O)c3cc(Br)ccc3F)n2)C[C@H](C)O1 13013994 AKNCWVSFHYCAIJ-QWRGUYRKSA-N 428.327 3.906 0 40 IHAB Cc1cccc(N2CCN(CCS(=O)(=O)c3ccc(Br)cc3)CC2)c1C 13039809 BLSGDDBNABVQDG-UHFFFAOYSA-N 437.403 3.662 0 40 IHAB CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccccc2C(F)(F)F)NC(=O)N1CCC(C)C 13059514 OPFJKHGIXYQWMI-LJQANCHMSA-N 439.478 3.951 0 40 IHAB COc1ccc(S(=O)(=O)N2CCN(CCOc3ccc(C(C)C)c(C)c3)CC2)cc1 13071372 ABJGMZGDYUDCKT-UHFFFAOYSA-N 432.586 3.512 0 40 IHAB CC[C@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)N1CCCCC1 13556694 GLRBRGKHYINNPQ-ULUCGAEXSA-N 443.613 3.578 0 40 IHAB CCOC(=O)c1cccc(NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)c1C 13675864 AGACJMAAZOUPSW-UHFFFAOYSA-N 438.933 3.538 0 40 IHAB O=C(CCc1nc(-c2ccc(F)cc2)no1)NCc1cc(Cl)c2c(c1)OCCCO2 14227858 VVNLRPBPFCMXPA-UHFFFAOYSA-N 431.851 3.939 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1cccc(F)c1)n2CC 14427660 FCFWCYKRVDQDPW-UHFFFAOYSA-N 446.548 3.797 0 40 IHAB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCN(c3ccccn3)CC2)cc1 14797625 RZFVNFWPVMXWAD-UHFFFAOYSA-N 439.519 3.905 0 40 IHAB O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(Cl)c(Cl)c1 15411718 XISLTPWMLHIQGS-UHFFFAOYSA-N 443.352 3.586 0 40 IHAB CC[C@H](C)[C@@H](NC(=O)[C@@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)N1CCCCC1 16021237 GLRBRGKHYINNPQ-HZNUMKHLSA-N 443.613 3.578 0 40 IHAB O=C(CCNC(=O)c1ccc(Br)cc1)NC[C@@H](c1ccccc1)N1CCCC1 16259342 OFHKKILOISJYKY-FQEVSTJZSA-N 444.373 3.522 0 40 IHAB O=C(NCCc1ccccc1)NC[C@H]1CCC[C@H](CNC(=O)NCCc2ccccc2)C1 16479284 WMFJXRDYGRRLCB-ZEQRLZLVSA-N 436.600 3.877 0 40 IHAB Cn1cc(C(=O)N2CCC(c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C(C)(C)C)N4)CC2)cn1 19083415 JEUKXHNWCOPNMZ-DLBZAZTESA-N 438.498 3.970 0 40 IHAB Cc1ccc(C(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CN(Cc2ccccc2F)CC3)cc1 19135347 VKVWVOHLAXWFKY-HSZRJFAPSA-N 446.526 3.753 0 40 IHAB CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)[C@@H]2CCCO2)C1 19449207 GPFYJVKPAXVADK-GBXCKJPGSA-N 426.582 3.880 0 40 IHAB COc1ccccc1-c1ccc(C[C@@]2(C(=O)N(C)C)CCN(C(=O)c3ccccn3)C2)cc1 19580200 GMQOXFHJIBIPQS-MHZLTWQESA-N 443.547 3.920 0 40 IHAB COc1cc(OC)c(OC)cc1CN1CCC[C@@H](c2cc(=O)[nH]c(-c3cccs3)n2)C1 19594961 GRWXBJWLHBYMMA-OAHLLOKOSA-N 441.553 3.904 0 40 IHAB Cc1nc([C@H]2CCCCN2C(=O)c2cnn(C)c2)nc2c1CCCN2Cc1ccc(F)cc1 19706111 MGIPBWMKFCMBHD-JOCHJYFZSA-N 448.546 3.978 0 40 IHAB Cc1nc([C@H]2CCCCN2C(=O)Cc2c[nH]c3ccccc23)nc2c1CC(=O)N2CC1CC1 19739673 SHZQPICIXCQJOL-JOCHJYFZSA-N 443.551 3.862 0 40 IHAB O=C(Nc1ccccc1Br)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 19935605 GFCYNXUEMARSAV-UHFFFAOYSA-N 427.295 3.625 0 40 IHAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2ccc(SC)cc2)cc1 20019607 WTJOUTROMGLJOB-HZPDHXFCSA-N 436.599 3.742 0 40 IHAB CCN(c1ccc(OCC(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1)S(C)(=O)=O 20030582 XLZCJXHXXGDNAS-UHFFFAOYSA-N 434.411 3.648 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(=O)(=O)CC)cc1 20449259 FDMAXIZQYCFDEC-MRXNPFEDSA-N 444.553 3.997 0 40 IHAB O=C(NCc1ccccc1Cl)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 22518697 OVHZOABDTIOVSS-HXUWFJFHSA-N 434.989 3.631 0 40 IHAB C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)c1ccc(Cl)cc1 24923973 RVBHISKTBXULGY-LBPRGKRZSA-N 448.397 3.832 0 40 IHAB O=C(NCc1ccc(N2CCOCC2)nc1)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 30669395 QRBKRWRPUAQGJG-OALUTQOASA-N 434.565 3.894 0 40 IHAB O=C(c1cccc(S(=O)(=O)Nc2ccccc2F)c1)N1CCC[C@@H]1c1cccnc1 31939573 SCVMUTSUPBXZEJ-OAQYLSRUSA-N 425.485 3.999 0 40 IHAB O=C(CN1C(=O)S/C(=C/c2cccn2-c2ccc(O)cc2)C1=O)Nc1ccccc1F 31944887 USROBXIWJTVBRX-XDHOZWIPSA-N 437.452 3.997 0 40 IHAB CCc1ccc(-c2nc(=O)n(CC(=O)N3CCc4ccccc43)c3sc(C)nc23)cc1 32616302 DOPHQDZDVHLWHQ-UHFFFAOYSA-N 430.533 3.980 0 40 IHAB CC(=O)c1cccc(NC(=O)c2sccc2S(=O)(=O)N2CCc3ccccc3C2)c1 32868787 WMGZFRFEEXGOCQ-UHFFFAOYSA-N 440.546 3.950 0 40 IHAB Cc1ccc([C@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(c3cc(C)ccc3C)CC2)cc1 35312563 BWHHASODGKERAT-UKILVPOCSA-N 446.599 3.689 0 40 IHAB CCC(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2cccc(Cl)c2)nc1O 35378045 QEBKARSNAZCMOE-UHFFFAOYSA-N 443.916 3.977 0 40 IHAB COc1cccc(OCc2nnc(SCC(=O)O[C@@H]3C[C@@H](C)CC[C@H]3C(C)C)n2N)c1 36385455 LVBDFRAGZDWISB-ZYSHUDEJSA-N 448.589 3.676 0 40 IHAB CC[C@@H](C)[C@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)NCc1cccnc1 36594051 HXWKSCDWFYEPNF-IERDGZPVSA-N 447.564 3.943 0 40 IHAB Cc1ccc(N2C[C@@H](C(=O)N3CCC(c4nnc(-c5ccc(F)cc5)o4)CC3)CC2=O)cc1 38904683 PDTKEVWWXGMSLW-IBGZPJMESA-N 448.498 3.943 0 40 IHAB Cc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1ccc(N2CCCC2=O)cc1)S(C)(=O)=O 44900136 YUKZKOGAGWUGKF-OAHLLOKOSA-N 449.960 3.568 0 40 IHAB CSc1nn(CC(=O)NCc2ccccc2)c(N)c1-c1nc(-c2ccc(C)cc2)no1 46914512 XARYXSBFHKKUBF-UHFFFAOYSA-N 434.525 3.529 0 40 IHAB Cc1c(Cl)cccc1NC(=O)Cn1nc2c(Oc3ccc(Cl)cc3)nccn2c1=O 49008734 AAJLVWLTYJQKAA-UHFFFAOYSA-N 444.278 3.937 0 40 IHAB O=C(Cn1c(=O)n(-c2ccccc2F)c(=O)c2sccc21)Nc1ccc(Cl)cc1F 57490479 RNIZOPWYIQOYTQ-UHFFFAOYSA-N 447.850 3.784 0 40 IHAB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)Nc1ccccc1C(F)(F)F 60510414 JTNRDUIJZONGIF-GFCCVEGCSA-N 440.805 3.894 0 40 IHAB COc1ccccc1Nc1nnc(CC(=O)N2CCN(c3ccc(Cl)cc3)CC2)s1 62007197 WEZYDAWVKATINV-UHFFFAOYSA-N 443.960 3.835 0 40 IHAB O=C(NC1CCCCC1)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2cc(Cl)ccc2O1 64985647 OWMDPNVUMRRCME-FQEVSTJZSA-N 434.945 3.745 0 40 IHAB Cc1c(C(=O)NC2CCCC2)nnn1-c1cccc2c1CCN(Cc1ccc(F)cc1)C2 69656247 MNKXZJFTBJXOQZ-UHFFFAOYSA-N 433.531 3.946 0 40 IHAB C[C@@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)NC(=O)Cn1ccc(=O)c2ccccc21 72277532 BEHAZINAVGTMRF-OSPHWJPCSA-N 427.545 3.591 0 40 IHAB O=S(=O)(c1ccc2c(c1)CCN2)N1CCN(C(c2ccccc2)c2ccccc2)CC1 78403700 KYVDXNWUXBTLOO-UHFFFAOYSA-N 433.577 3.751 0 40 IHAB Cc1cc(Br)cc2c1N(CC(=O)Nc1cccc(C(=O)N(C)C)c1)CCC2 78752212 WFSDTPXZHRKDFB-UHFFFAOYSA-N 430.346 3.851 0 40 IHAB O=C(C[C@@H]1CCCCCN1C(=O)c1ccc(=O)n(Cc2ccccc2)n1)c1ccccc1 79045229 QTMPOHUDHAIJKK-QFIPXVFZSA-N 429.520 3.949 0 40 IHAB CCOC(=O)c1c(NC(=O)c2nc(OCC)ccc2Cl)cc(OC)c(OC)c1OC 79057615 SNMIDNJWOZNEHZ-UHFFFAOYSA-N 438.864 3.589 0 40 IHAB COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)CCCc1nc2ccccc2c(=O)[nH]1 96220880 BNCIXMJEZAKCBY-NRFANRHFSA-N 430.508 3.930 0 40 IHAB biogenic C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3CC4)c2C(=O)NC2CC2)C1 102340198 IEZGPMAEFGGQJC-ACPUWCFLSA-N 428.554 3.617 0 40 IHAB CCn1c(SCC(=O)Nc2cccc(F)c2)nnc1[C@H](C)NC(=O)c1ccccc1 108893985 VUSVVOBIRIFWMI-AWEZNQCLSA-N 427.505 3.659 0 40 IHAB CC[C@H]1CCCCN1c1nc(=O)c2c([nH]1)NC(=O)C[C@H]2C(=O)Nc1cc(Cl)ccc1C 139119110 PIXGVSSCVNFDEZ-LSDHHAIUSA-N 443.935 3.565 0 40 IHAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCc1nc(-c2ccc(OC)cc2OC)no1 219371601 UQXQDGZMJDXKJY-SFHVURJKSA-N 425.485 3.844 0 40 IHAB Cc1ccc(SCCNC(=O)c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)cc1 219995085 HEZAPWMIABPBDB-UHFFFAOYSA-N 432.611 3.938 0 40 IHAB CS(=O)(=O)N(CC(=O)Nc1cccc(Br)c1)Cc1ccccc1Cl 223211166 QIMANZMMHHNWIB-UHFFFAOYSA-N 431.739 3.503 0 40 IHAB CC[C@@H](C(=O)NCCOc1ccc2ccccc2c1)N(c1ccc(F)cc1)S(C)(=O)=O 223616872 YEVLZDDBNPHPPX-QFIPXVFZSA-N 444.528 3.719 0 40 IHAB Cc1cccc(-c2noc(CN(C)S(=O)(=O)Cc3cccc(Br)c3)n2)c1 223656436 CDGWSQJUSATRFC-UHFFFAOYSA-N 436.331 3.769 0 40 IHAB CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCCOc3ccccc3)c2)CC1 224107763 CHQYDEOIVDZDRD-UHFFFAOYSA-N 436.961 3.569 0 40 IHAB Cc1cccc(N(CC(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)S(C)(=O)=O)c1C 225140599 BKYDHPAQMMSVRR-UHFFFAOYSA-N 447.582 3.665 0 40 IHAB CN(Cc1ccccc1F)C(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccccc1 225996859 GETACXGIWSZUBC-UHFFFAOYSA-N 440.540 3.718 0 40 IHAB CC(=O)N[C@H](CC(C)C)C(=O)N1CC[C@H]2O[C@H]3c4ccccc4OC(C)(C)[C@@H]3C[C@H]2C1 257224567 FCIDMJFEZYFHDZ-JAYNOCQUSA-N 428.573 3.703 0 40 IHAB C[C@H](CCc1ccccc1)NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 408615217 NMJMEAYEZTYBAV-CQSZACIVSA-N 429.369 3.897 0 40 IHAB CCOC(=O)c1c(NC(=O)CSc2nc(-c3ccco3)n[nH]2)sc(C(C)=O)c1C 409276222 YWKZYODXSPFLDQ-UHFFFAOYSA-N 434.499 3.545 0 40 IHAB CCC[C@H](C)NS(=O)(=O)c1ccc(NCc2nccn2CCc2ccccc2)nc1 509562974 BWBIUUCPYTXKFG-SFHVURJKSA-N 427.574 3.600 0 40 IHAB COC(=O)c1ccc(S(=O)(=O)Nc2cc(C)nn2-c2cccc(C(F)(F)F)c2)cc1 608927891 ONNRYXGJOXZUAK-UHFFFAOYSA-N 439.415 3.787 0 40 IHAB C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)N2CC(=O)NC[C@@H]2c2ccccc2)C1 1666807856 XWQSWWGCIYEUNC-JBYIUTFZSA-N 434.540 3.510 0 40 IHAB Cc1nccn1[C@H]1C[C@H]2CN(C(=O)Nc3ccc(F)cc3)C[C@H]2C[C@@H]1Oc1cnccn1 2332242540 PAYUYYONRQKKEJ-JWWGGVBKSA-N 436.491 3.683 0 40 IHAB COC(=O)c1ccccc1NC(=O)CSc1nnc(CNc2ccc(Cl)cc2)n1C 649426 RPIXCPJOTZTHCN-UHFFFAOYSA-N 445.932 3.598 0 40 IHAB C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)c1ccccc1 665152 QASYVEKVUDEFJH-MRXNPFEDSA-N 428.485 3.883 0 40 IHAB Cc1ccc(S(=O)(=O)N(Cc2cc3c(C)ccc(C)c3[nH]c2=O)C[C@@H]2CCCO2)cc1 923284 DWCNPMOVOBEOTQ-FQEVSTJZSA-N 440.565 3.823 0 40 IHAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3cccc(C)c3C)cc2)nc(C)n1 943985 XSHMSUNMVXPBNO-UHFFFAOYSA-N 440.525 3.529 0 40 IHAB COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CCCC4)CC(=O)N32)c1 2100437 APWUDJAWEKHNEF-WIOPSUGQSA-N 429.520 3.804 0 40 IHAB biogenic Nc1c(S(=O)(=O)c2ccc(Cl)cc2)c2nc3ccccc3nc2n1C[C@@H]1CCCO1 2196002 USVRUZJTZAUWCM-AWEZNQCLSA-N 442.928 3.832 0 40 IHAB COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)Nc1ccc(C(C)=O)cc1 3442321 MTXMITCVSHBMBX-UHFFFAOYSA-N 428.444 3.946 0 40 IHAB Cc1cc(C(C)(C)C)cc(S(=O)(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)c1C 3635648 LRCMZXKHTAFOQG-UHFFFAOYSA-N 430.570 3.874 0 40 IHAB COc1ccc(CCN(C)C(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1OC 7957954 ZCAWKILYWNFUIJ-LJQANCHMSA-N 425.529 3.649 0 40 IHAB COc1ccc(OC)c(NC(=O)[C@H](C)N(C)Cc2cc(Br)ccc2OC)c1 8735746 LSOBOVNGXYIADX-ZDUSSCGKSA-N 437.334 3.934 0 40 IHAB COc1ccc(Br)cc1CN(C)C(=O)CN1C(=O)CSc2ccccc21 8749231 PODKWSTVQLRYTQ-UHFFFAOYSA-N 435.343 3.555 0 40 IHAB COc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(C)c(C)c2)cc(OC)c1OC 8843845 NRWYIZWGHTTWCM-FQEVSTJZSA-N 441.553 3.761 0 40 IHAB O=C(NC[C@H]1CCCO1)c1cn(Cc2cccc(F)c2)nc1OCc1cccc(F)c1 9101617 FVIIWPYKIZIXCM-HXUWFJFHSA-N 427.451 3.697 0 40 IHAB O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1)c1n[nH]c2c1CCCC2 9130655 RXVBGNBWENTSHG-UHFFFAOYSA-N 429.524 3.503 0 40 IHAB Cc1cccc(N2C[C@H](C(=O)OCC(=O)Nc3ccccc3C(F)(F)F)CC2=O)c1C 9144641 QTYDFTBXUISTHA-OAHLLOKOSA-N 434.414 3.857 0 40 IHAB CCn1c(COc2ccc(OC)cc2)nnc1S[C@@H](C)C(=O)Nc1nc(C)cs1 9302822 RITUSASXRJGZLL-ZDUSSCGKSA-N 433.559 3.770 0 40 IHAB Cc1c(NC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)ccc(Br)c1Cl 9371575 FXYRSQAJIBBWAD-OJXGSEEGSA-N 439.737 3.771 0 40 IHAB O=C1c2ccccc2C(=O)N1CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1 9393720 XJUNIRHNQRBCJE-CYBMUJFWSA-N 426.523 3.531 0 40 IHAB COc1cc(OC)cc(C(=O)Nc2c3c(nn2-c2cccc(C)c2C)C[S@](=O)C3)c1 9413791 FTNZXYTWLVJXRZ-PMERELPUSA-N 425.510 3.521 0 40 IHAB O=C(CN(Cc1cccs1)C[C@H]1CCCO1)Nc1cc(Cl)ccc1-n1cncn1 9512163 KAAMDPIFKRLWED-MRXNPFEDSA-N 431.949 3.602 0 40 IHAB Cc1cc(NC(=O)CSc2nnc(-c3ccncc3)n2[C@@H]2CCc3ccccc32)no1 9530790 BWJDYCGTQQFUID-GOSISDBHSA-N 432.509 3.903 0 40 IHAB Cc1ccc(-c2csc(NC(=O)CN(C)S(=O)(=O)c3ccc(Cl)cc3)n2)o1 9585996 QFRDEMKCMNXZHQ-UHFFFAOYSA-N 425.919 3.624 0 40 IHAB O=C(CSc1ccc2nnc(-c3ccncc3)n2n1)Nc1ccc(Br)cc1 9599838 PRHHRJXHJBOLQY-UHFFFAOYSA-N 441.314 3.680 0 40 IHAB COCCCn1c(C)cc(C(=O)COC(=O)c2ccc(OC)c(Br)c2)c1C 9642737 RQAIGCWYQSRWHO-UHFFFAOYSA-N 438.318 3.952 0 40 IHAB Cc1sc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)c(C(N)=O)c1C 9714905 WNDVVUBEEOIKEF-UHFFFAOYSA-N 429.523 3.517 0 40 IHAB Cc1cc(C)n2nc(SCC(=O)N3CCC[C@H](c4nc5ccccc5s4)C3)nc2n1 9789138 LQOQOZVHJOLMSG-HNNXBMFYSA-N 438.582 3.849 0 40 IHAB COC(=O)c1ccccc1NC(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O 10328269 AGKCRFBNPLIHCS-UHFFFAOYSA-N 438.933 3.620 0 40 IHAB CCn1c(SCC(=O)N2CCC(Cc3ccccc3)CC2)nc2c(c1=O)S[C@@H](C)C2 11026301 QPWGUFLOLLMMHL-INIZCTEOSA-N 443.638 3.873 0 40 IHAB COc1ccc2c(C)c(CCC(=O)N[C@H](C)c3ccc(-n4cncn4)cc3)c(=O)oc2c1 11406609 VWUYDLBNDDXOQZ-MRXNPFEDSA-N 432.480 3.501 0 40 IHAB O=C(COc1ccc(N2CCCC2=O)cc1)NCc1ccc(COCC(F)(F)F)cc1 11484197 DDEPYZMVRLIGMR-UHFFFAOYSA-N 436.430 3.588 0 40 IHAB COc1ccc(S(=O)(=O)Nc2nc(C(=O)Nc3ccc(F)c(Cl)c3)cs2)cc1 11693254 RNAZVKMNRWQQSB-UHFFFAOYSA-N 441.893 3.997 0 40 IHAB CC(=O)c1ccc(S(=O)(=O)Nc2cccc(-c3csc4nc(C)cc(=O)n34)c2)cc1 11696323 QOEPCROXXHDSEV-UHFFFAOYSA-N 439.518 3.735 0 40 IHAB CCOC(=O)c1cc(Cl)cnc1C1CCN(C(=O)c2ccc3c(c2)OCCO3)CC1 12186633 VQRNUZZBTUGYJC-UHFFFAOYSA-N 430.888 3.703 0 40 IHAB COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@@H]1CCCN(Cc3cccc(OC)c3F)C1)O2 12235423 FKJBRMVKNDEVTA-KOSHJBKYSA-N 442.531 3.865 0 40 IHAB O=S(=O)(c1ccc(Cl)cc1)N1CCC(c2nc(-c3ccc4c(c3)OCO4)no2)CC1 12415231 FLWYKDNJQZNBQR-UHFFFAOYSA-N 447.900 3.687 0 40 IHAB COc1ccc(C(=O)Nc2ccc(C)cn2)cc1S(=O)(=O)N1CCCc2ccccc21 12523288 BNRDOWDUQMGTEO-UHFFFAOYSA-N 437.521 3.792 0 40 IHAB Cc1ccc(Cn2nc(C)c3cc(C(=O)NC[C@H](C(C)C)N4CCOCC4)sc32)cc1 12736333 FPZGGJVSZJJZFL-OAQYLSRUSA-N 440.613 3.850 0 40 IHAB O=C(NCc1ccc(C(F)(F)F)cc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 12748033 SLIJCCQVBCSNAA-KRWDZBQOSA-N 446.878 3.828 0 40 IHAB O=C(NC1CC1)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(F)c(F)c2)cc1 12769400 CUGKYSHXJGTXDO-UHFFFAOYSA-N 446.475 3.841 0 40 IHAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(Cc1cc(=O)n3ccsc3n1)CC2 13014219 FIRXGCXUJNHIHK-NRFANRHFSA-N 439.562 3.982 0 40 IHAB C[C@H]1CCC[C@H](C)N1C(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1N 13038854 NFXCYNOSHBPMAU-KBPBESRZSA-N 428.583 3.720 0 40 IHAB CCNC(=O)COc1ccc(/C=C(\CC(=O)O)c2nc3ccccc3s2)cc1OC 13141740 ZEVNEHBSEBQQEU-XNTDXEJSSA-N 426.494 3.835 0 40 IHAB COc1ccc(C)cc1N(CC(=O)NCCc1ccccc1)S(=O)(=O)c1ccccc1 14166362 YCKYUAUCAMKAMQ-UHFFFAOYSA-N 438.549 3.558 0 40 IHAB O=C(c1sc2ccccc2c1Cl)N1CCN(S(=O)(=O)c2cccs2)CC1 14691475 ZGJIFBVGRSJPJN-UHFFFAOYSA-N 426.972 3.763 0 40 IHAB CCc1nn2c(=O)cc(COC(=O)c3ccccc3NC(=O)c3ccc(C)cc3)nc2s1 15771714 DPCRUHXANABOLK-UHFFFAOYSA-N 448.504 3.631 0 40 IHAB COc1ccc(S(=O)(=O)[C@@H](CNC(=O)c2ccccc2OC)c2cccs2)cc1 15780871 FVXVIJYGWQAWJJ-FQEVSTJZSA-N 431.535 3.710 0 40 IHAB COc1ccccc1[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1 15966578 LBAUHWVRQRKXHI-LJQANCHMSA-N 444.597 3.899 0 40 IHAB COc1ccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)[C@H](c3ccc(F)cc3)C2)cc1 16779383 IDUSVFVESPWFGR-QFIPXVFZSA-N 425.485 3.837 0 40 IHAB Cc1cc(NC(=O)CN2CCN(Cc3ccc(Cl)s3)CC2)n(-c2ccccc2)n1 19535688 KFVYKHFGPKRNEU-UHFFFAOYSA-N 429.977 3.652 0 40 IHAB Cc1n[nH]cc1C(=O)N1CC[C@H](c2cc(C(=O)Nc3nccs3)c3ccccc3n2)C1 19761386 MKWZKYTXKZOMRI-AWEZNQCLSA-N 432.509 3.605 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)c(F)c3F)CC2)cc1 20017248 IDDQIILKWPULOT-UHFFFAOYSA-N 442.459 3.542 0 40 IHAB COc1ccccc1CNC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 20234901 JUSAEPGUURQJEL-UHFFFAOYSA-N 438.549 3.824 0 40 IHAB CCOc1ccc(NC(=O)CN(C)C(=O)c2ccc(-n3nccc3C)cc2)cc1OCC 20923990 VITDWCRJKYYHGF-UHFFFAOYSA-N 436.512 3.689 0 40 IHAB COc1ccccc1C(=O)Nc1ccc(C(=O)OCc2cc(=O)n3cc(C)sc3n2)cc1 21633334 ZOOBSWDUSBJLHE-UHFFFAOYSA-N 449.488 3.682 0 40 IHAB Cc1cccc(CSCCNC(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)c1 22388727 BVCNXFMZHBQTFW-UHFFFAOYSA-N 434.627 3.934 0 40 IHAB COc1ccc(OCCN2CCN([C@H](C)C(=O)Nc3ccc(C(C)C)cc3)CC2)cc1 22820722 HREGSVGETNXYGE-HXUWFJFHSA-N 425.573 3.842 0 40 IHAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCCCN2CCCC2)ccc1Cl 22913917 ZTZPNBUYGBBMCB-UHFFFAOYSA-N 435.977 3.665 0 40 IHAB COc1cccc(CSc2nc(C)c(CC(=O)N3CCc4ccccc4C3)c(=O)[nH]2)c1 23138550 DIALMXZBBMLKIK-UHFFFAOYSA-N 435.549 3.507 0 40 IHAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 24759211 MWHIVCMGHDZGND-JOCHJYFZSA-N 443.503 3.643 0 40 IHAB COc1cc(/C=C/C(=O)N2CCC(C(=O)N3CCc4ccccc4C3)CC2)cc(OC)c1 31187465 SNTGPMAKRZSLLH-BQYQJAHWSA-N 434.536 3.541 0 40 IHAB O=C(c1cccc(O)c1)N1N=C(c2ccc(Br)cc2)C[C@]1(O)C(F)(F)F 32101263 ZMNSNFJIQWLWKB-INIZCTEOSA-N 429.192 3.656 0 40 IHAB Cn1ccnc1[C@@H](NC(=O)C1CCN(C(=O)c2cccs2)CC1)c1ccc(Cl)cc1 32772773 YVUHCDCSERSEEO-IBGZPJMESA-N 442.972 3.893 0 40 IHAB Cc1cccc(C(=O)N[C@H](C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)C(C)C)c1 32788314 CRROOBNBPOOBLV-QHCPKHFHSA-N 435.568 3.692 0 40 IHAB COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)c(OC)c1 33612948 UURVARGIXKRJMP-REZTVBANSA-N 434.420 3.657 0 40 IHAB CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2N(C)c2ccccc2)c1=O 40114542 LRQLCPCZFNUBFN-UHFFFAOYSA-N 428.492 3.590 0 40 IHAB CC[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1cc(Cl)ccc1C)CC(=O)N2 40390621 PIXGVSSCVNFDEZ-GJZGRUSLSA-N 443.935 3.565 0 40 IHAB COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2nnc(CC(C)C)s2)C12CCCC2 49550837 XIDSAVUSFMINMI-IBGZPJMESA-N 442.585 3.874 0 40 IHAB CCCCN(C)C(=O)CSc1nc2ccsc2c(=O)n1Cc1ccc(OC)cc1 57425928 OVKDJZUBKVSRIC-UHFFFAOYSA-N 431.583 3.866 0 40 IHAB Cc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2cccc(Cl)c2)[nH]n1 57472738 CPXVBJPGTMZIHT-UHFFFAOYSA-N 439.928 3.861 0 40 IHAB Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)N(C)c3cccc(Cl)c3)c2=O)c1 57490242 ROTTXONBHURUJT-UHFFFAOYSA-N 439.924 3.839 0 40 IHAB CSc1sc(NC(=O)CCN2C(=O)c3ccccc3N3C(=O)CC[C@]23C)nc1C 58139573 HMLCVVIIJCHRBJ-HXUWFJFHSA-N 430.555 3.501 0 40 IHAB O=C(CSc1nnc2c(=O)n(-c3ccc(F)c(F)c3)ccn12)c1ccccc1Cl 64593887 VOCWADPXLUHWEN-UHFFFAOYSA-N 432.839 3.787 0 40 IHAB O=C(O)[C@@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1ccccc1C(F)(F)F 71980676 ATZVWYFUYGOVHJ-IBGZPJMESA-N 448.441 3.623 0 40 IHAB CC(=O)NC1(CC(=O)N2CCC[C@@H](c3ccc(Nc4cnccn4)cn3)C2)CCCCC1 72353487 SJLMFBKNXXDNMV-LJQANCHMSA-N 436.560 3.550 0 40 IHAB O=C(Nc1ccccc1)O[C@@H]1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)C1 77200179 VCHCNQKSLKIMJY-LKUPVBHCSA-N 439.487 3.855 0 40 IHAB O=C(NCc1nn(C2CCCC2)c(=O)c2ccccc12)C1(c2ccccc2)CCOCC1 90504325 HKMVAYGOHDHWGV-UHFFFAOYSA-N 431.536 3.876 0 40 IHAB CC[C@@H](NC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1)c1c(C)noc1C 95441559 MARBXBNHNJMRGQ-GOSISDBHSA-N 433.555 3.713 0 40 IHAB COc1ccc([C@H]2SCC(=O)Nc3c2c(O)nn3[C@H]2CCOC(C)(C)C2)c(OC)c1 96117769 HFWUDNXEXUELCY-KPZWWZAWSA-N 433.530 3.511 0 40 IHAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCCn1nc(C(F)(F)F)c2c1CCCC2 96121563 MQMIGKNLVMSBQV-UHFFFAOYSA-N 435.425 3.750 0 40 IHAB CCC[C@@](C)(O)[C@H]1C[C@@]23C=C[C@]1(OC)[C@@]1(C)Oc4c(O)ccc5c4[C@@]12CCN(C)[C@@H]3C5 96316390 GGSNWFNWEAZKML-JVYHVUEVSA-N 425.569 3.554 0 40 IHAB biogenic,in-vitro CCOc1ncc(C2(O)[C@@H]3CCC[C@@H]2CN(Cc2cccc(F)c2F)C3)c(OCC)n1 100149734 YPEZHGKZLXLXDN-IAGOWNOFSA-N 433.499 3.672 0 40 IHAB Cc1nn(C(C)C)cc1S(=O)(=O)N1[C@H](c2nc(-c3ccccc3)no2)[C@@H]2CC[C@@H]1C2 100731812 ZTKUJPSWWNSXBB-LMMKCTJWSA-N 427.530 3.737 0 40 IHAB CC1=C[C@H]2C[C@H]1[C@H]1C(=O)N(c3cccc(C(=O)OCC(=O)c4ccc(F)cc4)c3)C(=O)[C@H]21 101227168 KVQGEDZVHYSDTR-ZHODDXKCSA-N 433.435 3.567 0 40 IHAB Cc1cc(C)cc(OC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1 102077370 GFUCHNKWMANOHB-DPPJIKRNSA-N 441.527 3.873 0 40 IHAB COc1cc(NC(=O)[C@H](CC(C)C)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c(OC)cc1Cl 102322616 PADOWBGNZPIPRK-ZQIUZPCESA-N 434.920 3.662 0 40 IHAB CCOC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(Br)cc1 113880930 KKJRDKBZOIETJV-UHFFFAOYSA-N 426.332 3.824 0 40 IHAB C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 220251259 XGDLFHUZSIDDRQ-LLVKDONJSA-N 445.324 3.558 0 40 IHAB Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)C2)n1 220812755 CIAXPCJCSSUDOQ-SJORKVTESA-N 428.533 3.739 0 40 IHAB Cc1cc(C(=O)Nc2ccccc2C(=O)N2CCCCCC2)ccc1N(C)S(C)(=O)=O 222477400 PECZXSJSZDAHMZ-UHFFFAOYSA-N 443.569 3.659 0 40 IHAB CCc1ccc(CC)c(CNC(=O)CN(c2cccc(OC(C)C)c2)S(C)(=O)=O)c1 223418288 XBYJGLAPEXFAEA-UHFFFAOYSA-N 432.586 3.681 0 40 IHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(Br)cc1 223580382 CHQUGZCTXOGLQF-MRXNPFEDSA-N 433.346 3.690 0 40 IHAB CCOC(=O)N1CCN(C(=O)c2ccc(OC)c(COc3cccc(Cl)c3)c2)CC1 224150658 XFYOBKGYMCTVCT-UHFFFAOYSA-N 432.904 3.842 0 40 IHAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cccnc3)c(Cl)c2)cc1 224249602 BJYKBSXEDXKCHZ-UHFFFAOYSA-N 431.901 3.821 0 40 IHAB O=c1c2c(nc3ccc(F)cn13)CCN(S(=O)(=O)c1ccc(C3CCCCC3)cc1)C2 225783796 SKRQVOQNSVCHME-UHFFFAOYSA-N 441.528 3.628 0 40 IHAB O=C(COc1cccc(C(F)(F)F)c1)N1CC[C@@H](Oc2ncccc2Br)C1 238921365 TYGUNJGMFSAECZ-CQSZACIVSA-N 445.235 3.922 0 40 IHAB C[C@@]12CC[C@@H](C[C@@H]1C(=O)N1CC[C@H](O)[C@@H]3CCCC[C@H]31)[C@]1(C2)NC(=O)c2ccccc2N1 253596970 YQJQGTKZTQTWNK-PPWXUNFCSA-N 437.584 3.517 0 40 IHAB CC(=O)N1CCC(C(=O)N2CCC3(CC2)Oc2ccc(Cl)cc2[C@H]2OCCC[C@@H]23)CC1 257211899 CAZKUVAGDPSCTH-RBBKRZOGSA-N 446.975 3.820 0 40 IHAB CC(C)(NC(=O)c1cccc(F)c1)C(=O)N1CCOC[C@@H](Cc2cnc3ccccc3c2)C1 257240131 HSEILTUDHBTPKJ-IBGZPJMESA-N 449.526 3.600 0 40 IHAB O=C(CCNc1ncnc2ccccc12)N1CCC[C@H]1c1nc(Cc2ccc(F)cc2)n[nH]1 257283542 OYUBMQUQVCINMM-FQEVSTJZSA-N 445.502 3.644 0 40 IHAB NC(=O)C[C@]1(COc2ccc(F)cc2)CCCN(C(=O)Cc2c(F)cccc2Cl)C1 257288468 PUHTXRHPCHHMRE-JOCHJYFZSA-N 436.886 3.724 0 40 IHAB COc1ccc(CN(CC(=O)O)C(=O)c2cccc3c2C(=O)N(Cc2ccccc2)C3)cc1 257291174 QFYZBEYTZSJBFC-UHFFFAOYSA-N 444.487 3.578 0 40 IHAB CNc1nc([C@H]2CCN(C(=O)C3(Oc4ccccc4)CCCCC3)C2)nc2c1CCN(C)C2 257324072 WNABSPLLRYNLAH-IBGZPJMESA-N 449.599 3.604 0 40 IHAB CCc1ccc(N([C@@H](C)C(=O)N[C@H](CC)c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 260588256 HUDXGIZFLGRRFH-OXJNMPFZSA-N 448.585 3.688 0 40 IHAB Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2c(F)cccc2F)cc1 408558075 IJUNJCGJNDPHAH-FQEVSTJZSA-N 430.476 3.802 0 40 IHAB Cc1ccccc1C(=O)NCc1nnc(SCC(=O)Nc2cccc3ccccc23)n1C 409058931 PKGQDTRIVCSUDT-UHFFFAOYSA-N 445.548 3.938 0 40 IHAB CC(=O)Nc1ccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1 409124246 AGCBUDMDAIRTEQ-UHFFFAOYSA-N 437.521 3.787 0 40 IHAB CCOc1cc(C(=S)N2CCC(C(N)=O)CC2)ccc1OCCOc1ccccc1C 409206089 MHBVGHXUANRYNY-UHFFFAOYSA-N 442.581 3.724 0 40 IHAB CCn1c(CC(=O)Nc2ccc(C)cc2)nnc1SCC(=O)Nc1ccccc1OC 409333605 URNNNJIJBSCEET-UHFFFAOYSA-N 439.541 3.527 0 40 IHAB COC(=O)[C@@H](CNC(=O)C(C)(C)c1ccc(Br)cc1)Oc1ccc(F)cc1 534770800 FPGFTWPIZDQUNM-QGZVFWFLSA-N 438.293 3.603 0 40 IHAB C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1C(=O)CCn1cnc2ccccc2c1=O 552837432 OMYAWHIHOWFHKZ-YWZLYKJASA-N 445.441 3.794 0 40 IHAB CC(C)n1cnc([C@H]2CN(C(=O)Cc3ccccc3)C[C@]23CCCN(CC2CC2)C3=O)c1 585107541 ZKMYCXZGOXXTIE-ATIYNZHBSA-N 434.584 3.651 0 40 IHAB CCOc1c(Cl)cc(C(=O)N[C@@H](c2nc(-c3nc[nH]n3)no2)C(C)C)cc1Cl 585152226 CMKXHJZMSYXCSU-GFCCVEGCSA-N 425.276 3.687 0 40 IHAB Cc1cnn(CCOc2ccc(CN3CCC(O)(COc4ccc(F)cc4)CC3)cc2)c1 585274688 YHKIGZRBLJEAMW-UHFFFAOYSA-N 439.531 3.816 0 40 IHAB CN(CC(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)C[C@H]1CCn2ccnc2C1 685576699 ZEDCGZHDANEXID-NZQKXSOJSA-N 441.579 3.807 0 40 IHAB CC(C)Cc1ccc([C@@H](C)c2nn3c(C4CCN(S(C)(=O)=O)CC4)nnc3s2)cc1 1505838464 UFNUWJJVLLRNRB-OAHLLOKOSA-N 447.630 3.675 0 40 IHAB CSC1(CNC(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)CCCCC1 1535103098 ACLVARWRGBKBOV-HSZRJFAPSA-N 439.581 3.789 0 40 IHAB O=C(CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)Nc1cccc(Cl)c1 905660 OVMXEAMYASYEAS-INIZCTEOSA-N 429.929 3.960 0 40 IHAB COc1ccc2oc(C(=O)OCc3cc(=O)n4cc(Br)ccc4n3)c(C)c2c1 2619268 GUZJFLFGWROMJI-UHFFFAOYSA-N 443.253 3.877 0 40 IHAB Cc1c(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)oc2ccc(Br)cc12 2646623 HTJXBAMYBBBNKP-UHFFFAOYSA-N 443.253 3.646 0 40 IHAB COc1ccc(C[C@H]2SC(=O)NC2=O)cc1C(=O)NCc1ccc(C(F)(F)F)cc1 3929313 NFFXEUUOMTXWCX-MRXNPFEDSA-N 438.427 3.538 0 40 IHAB in-vitro Cc1ccc(-n2nc3c(c2NC(=O)COc2ccc(Cl)cc2)C[S@@](=O)C3)c(C)c1 8884969 OUMBPBLUZYKFSC-LJAQVGFWSA-N 429.929 3.922 0 40 IHAB CCOc1c(Cl)cc(C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1OC 9395786 HTQIKUZDOPTLPK-LBPRGKRZSA-N 435.860 3.703 0 40 IHAB Cc1ccc(NC(=O)CSc2nc3nccnc3c(=O)n2Cc2ccc(F)cc2)c(C)c1 9405340 QQQADGNEIQURQB-UHFFFAOYSA-N 449.511 3.722 0 40 IHAB COc1ccc(OCCN(C)C(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)cc1 9482470 KRVWZYVAZBRYHS-UHFFFAOYSA-N 443.503 3.854 0 40 IHAB O=C(CSc1nnc2n1CCN2c1ccccc1)Nc1ccc(Br)cc1 9573943 XBZVOHYCGBAZKM-UHFFFAOYSA-N 430.331 3.923 0 40 IHAB Cc1nnc(S[C@H](C)C(=O)N2c3ccccc3NC(=O)C2(C)C)n1Cc1ccccc1 9580095 YACHPFIAKRQXAJ-OAHLLOKOSA-N 435.553 3.879 0 40 IHAB Cc1ccc(C2=NN(C(=O)Cn3c(C)nc4ccccc4c3=O)[C@H](c3ccco3)C2)cc1 9593185 QMWXTMCWNIQAFQ-QFIPXVFZSA-N 426.476 3.984 0 40 IHAB COc1cc(Br)c(CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)cc1OC 9641166 QZANELCJBMHUPC-OAQYLSRUSA-N 445.313 3.750 0 40 IHAB CN(CC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl)Cc1ccco1 9799744 QMOHBDQKQITKMC-UHFFFAOYSA-N 439.965 3.568 0 40 IHAB CCOC(=O)c1oc2ccccc2c1COC(=O)Cc1cc(OC)c(OC)c(OC)c1 9884578 FVZQEEBPSOPEQB-UHFFFAOYSA-N 428.437 3.921 0 40 IHAB Cn1ncc2c(SCC(=O)Nc3cc(-c4ccccc4)nn3-c3ccccc3)ncnc21 11679686 AUNGIVHSLPVFNP-UHFFFAOYSA-N 441.520 3.947 0 40 IHAB COc1ccc(-c2ccc(=O)n(CC3CCN(C(=O)c4ccc(F)cc4F)CC3)n2)cc1 12155947 ILZZBEOBTXJIAL-UHFFFAOYSA-N 439.462 3.750 0 40 IHAB Cc1ccc(S(=O)(=O)c2nc(-c3cccs3)oc2NCCCN2CCOCC2)cc1 12419602 JTZRQGDUBGAVAO-UHFFFAOYSA-N 447.582 3.679 0 40 IHAB C[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12)c1ccc(F)cc1F 12563620 XONFYWNPCTWHTD-ZDUSSCGKSA-N 433.480 3.937 0 40 IHAB COc1ccc(Br)cc1S(=O)(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 12576905 XXBWDUAXBXIPNR-ZDUSSCGKSA-N 436.331 3.683 0 40 IHAB O=c1[nH]c(CN2CCN(c3ccccc3O)CC2)nc2scc(-c3ccc(F)cc3)c12 12647761 BZSNZAKOZALAAT-UHFFFAOYSA-N 436.512 3.819 0 40 IHAB O=S(=O)(c1ccc(F)c(Cl)c1)N1CCN(Cc2cc(-c3ccccc3)no2)CC1 12784964 RQYXBGQBHCNEGW-UHFFFAOYSA-N 435.908 3.641 0 40 IHAB COc1ccc(C(=O)O)cc1S(=O)(=O)N1CCc2cc(-c3csc(C)n3)ccc21 12878994 HFMLFDWBVYQSLU-UHFFFAOYSA-N 430.507 3.577 0 40 IHAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)/C=C/c1ccc(Cl)cc1Cl 12883841 WYKDTSAJJJYAHR-VQHVLOKHSA-N 432.307 3.918 0 40 IHAB Cc1c(Cl)cccc1NC(=O)CNC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 12978013 KGGBVDZNIDRWLF-UHFFFAOYSA-N 448.350 3.909 0 40 IHAB C[C@H](C(=O)NCc1ccccc1Cl)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 12997778 MLJVMJVMELCFTR-MRXNPFEDSA-N 442.943 3.711 0 40 IHAB Cc1nn(-c2ccc(N3CCN(C(=O)c4ccc(C(C)(C)C)cc4)CC3)nn2)c(C)c1C 13008951 MMOMKYGBQUFJSA-UHFFFAOYSA-N 432.572 3.847 0 40 IHAB O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(Cl)cc1Cl 13305551 NGCTXQXKJABNHI-UHFFFAOYSA-N 449.743 3.920 0 40 IHAB CCOc1ccc(-c2nc(-c3ccc(CCNS(C)(=O)=O)cc3)cs2)cc1OC 14102992 AZCWLBUZROBOLZ-UHFFFAOYSA-N 432.567 3.976 0 40 IHAB C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCCSc4ccccc43)cc2)C[C@@H](C)O1 14227680 LBOACQLDQCQJGL-IAGOWNOFSA-N 446.594 3.627 0 40 IHAB Cc1cc(Cl)ccc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 14493071 RUDKPMABEODILY-UHFFFAOYSA-N 429.325 3.575 0 40 IHAB CC(=O)[C@@H]1[C@H](C(=O)c2ccncc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(C)ccc3N12 15956410 WXVQQCGVNGJNII-XVOBZGQLSA-N 449.510 3.952 0 40 IHAB biogenic COc1ccc(C2=NN(c3ccccc3)[C@@H]3C(=O)N(c4ccc(C(C)=O)cc4)C(=O)[C@@H]23)cc1 16037901 FHYAABJNXLNRNY-UPVQGACJSA-N 439.471 3.680 0 40 IHAB CCCC(=O)Nc1nc2ccc(NC(=S)NC(=O)COc3ccccc3)cc2s1 17096002 ZYKDOAJCSZULHJ-UHFFFAOYSA-N 428.539 3.927 0 40 IHAB COc1c(C(=O)NC(=S)Nc2ncccc2O)cc2ccccc2c1Br 17097802 PVIHKBQZNYJLLH-UHFFFAOYSA-N 432.299 3.838 0 40 IHAB O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1cnc2sccn2c1=O 18157651 HWJVIDUAPZUMPN-UHFFFAOYSA-N 427.489 3.539 0 40 IHAB Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@H]2CCCN(C(=O)Cc3cccc(F)c3)C2)n1 19290144 LCGHQTBOBWNVGT-IBGZPJMESA-N 448.546 3.565 0 40 IHAB O=C(Cc1csc(-c2ccncc2)n1)NCCn1cc(-c2ccncc2)c(C2CC2)n1 19405666 OXCXYZHNVPYCOV-UHFFFAOYSA-N 430.537 3.700 0 40 IHAB CC(C)NC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)Cn2cccn2)C1 19449297 HNTBWIHEGKFYLU-SANMLTNESA-N 430.552 3.536 0 40 IHAB CCOc1ccc2c(c1)cc(C(=O)N1CCC[C@H]1c1nc(C)c3c(n1)N(C)C(=O)CC3)n2C 19741875 NHEPWHPQWYIPOW-FQEVSTJZSA-N 447.539 3.562 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCc1ccc(F)cc1)c1ccccc1 20014196 WPULOKQYHSKNHU-UHFFFAOYSA-N 442.512 3.654 0 40 IHAB COc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 20019903 JIMUHPDITSLUFZ-QGZVFWFLSA-N 440.521 3.752 0 40 IHAB Cc1cc(OCc2ccc(C(=O)N3CCN(Cc4cnn(C)c4)CC3)o2)ccc1Cl 20028674 UHVSGXPGCZYIIJ-UHFFFAOYSA-N 428.920 3.512 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(CCOc3ccc(Cl)cc3Cl)CC2)cc1 20368251 LEAKWTMOXBGGJE-UHFFFAOYSA-N 429.369 3.687 0 40 IHAB CC(C)(C)OC(=O)N1CCN([C@H](C(=O)O)c2c[nH]c3ccc(Br)cc23)CC1 20725233 KCDSUMVJYGEQNF-INIZCTEOSA-N 438.322 3.609 0 40 IHAB O=C(CN1CCN(Cc2nc3ccccc3s2)CC1)Nc1ccc(CN2CCCC2)cc1 22780955 WACJPTRWPKDJAP-UHFFFAOYSA-N 449.624 3.648 0 40 IHAB O=C(Cn1nc2c(c1NC(=O)c1c[nH]c3ccccc13)CSC2)NCCc1ccccc1 23139679 QHRGFGZLNDMXOF-UHFFFAOYSA-N 445.548 3.722 0 40 IHAB CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCc1ccccc1Cn1cccn1 24624440 SWZKONCKHJAVIM-ULCRDSCMSA-N 448.611 3.905 0 40 IHAB Cc1ccc([C@]2(c3ccccc3)NC(=O)N(CC(=O)NCCc3cccs3)C2=O)cc1C 26176712 KLHPAWSGAMXXSC-VWLOTQADSA-N 447.560 3.519 0 40 IHAB O=C(CN1C(=O)CCOc2ccccc21)Nc1c(-c2ccc(F)cc2)nc2sccn12 26792239 YHWBBKDFIQTGSE-UHFFFAOYSA-N 436.468 3.956 0 40 IHAB COc1ccc(-c2nnc([C@H](C)OC(=O)c3ccc(CNC(=O)NC(C)C)cc3)o2)cc1 27832838 QFEZVRIBWAPMGM-HNNXBMFYSA-N 438.484 3.871 0 40 IHAB COc1ccc([C@H](CNC(=O)c2cc(-c3ccc(C)c(F)c3)on2)N2CCOCC2)cc1 27989867 CUMYUCNOWAWCFR-QFIPXVFZSA-N 439.487 3.601 0 40 IHAB O=C(NCC(F)(F)F)c1ccc(CN(C(=O)c2cc3ccccc3c(=O)[nH]2)C2CC2)cc1 29382856 DCQSOFJTCFFMQI-UHFFFAOYSA-N 443.425 3.625 0 40 IHAB O=C(NC[C@H]1CCCCN1Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)Nc1ccccc1 30590107 VQNFTORSJDYZTR-MRXNPFEDSA-N 437.569 3.650 0 40 IHAB CC(=O)c1ccccc1OCCOC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCC1 32854490 YEANDDGMWVIXMF-UHFFFAOYSA-N 436.913 3.861 0 40 IHAB O=C(CN1CCN(C(=O)c2cccs2)CC1)N(CCc1ccccc1)Cc1ccccc1 35436254 RKBBMTBQCRIAQZ-UHFFFAOYSA-N 447.604 3.777 0 40 IHAB COc1ccc(C(=O)N(C)C)cc1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 48310261 JBSYGMMFFQJWOJ-UHFFFAOYSA-N 436.487 3.853 0 40 IHAB O=C(Nc1cccc(NC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)c1)c1cccs1 48332053 UODDRSGKJLMSFT-MRXNPFEDSA-N 426.542 3.867 0 40 IHAB Cc1cc(C)n(-c2nccnc2SCC(=O)Nc2ccc(Br)cc2F)n1 49404452 LZODIZINRATKGG-UHFFFAOYSA-N 436.310 3.912 0 40 IHAB Cc1ccc(-n2c(SCC(=O)N(C)Cc3cccs3)nc3ccccc3c2=O)nc1 49649959 NPLRRSRLWDMTQR-UHFFFAOYSA-N 436.562 3.901 0 40 IHAB CCOc1ccc(NC(=O)Cn2c(=O)n(-c3ccccc3C)c(=O)c3sccc32)cc1 57489596 DOUXVPJKTRWIMZ-UHFFFAOYSA-N 435.505 3.560 0 40 IHAB CCn1c2ccccc2c2cc(NC(=O)[C@H](C)N3CCN(Cc4nonc4C)CC3)ccc21 57986883 PUYXNCIFLZCOPG-SFHVURJKSA-N 446.555 3.651 0 40 IHAB COc1cc(CNC[C@H](O)CN2CCCC2)cc(Br)c1OCc1ccccc1 60270347 CFHVNLUBCIXNND-IBGZPJMESA-N 449.389 3.583 0 40 IHAB COC(=O)c1cn(Cc2cccc(Cl)c2)nc1S(=O)(=O)N(C)c1ccc(C)cc1 67245722 NOPGUVPFZBSNKJ-UHFFFAOYSA-N 433.917 3.505 0 40 IHAB Cc1c(Cl)cccc1NC(=O)c1nnn(CC(=O)NCc2ccccc2Cl)c1C 71327102 HSCKHWHAPYVSAB-UHFFFAOYSA-N 432.311 3.770 0 40 IHAB Cc1nc([C@@H]2CCCN(C(=O)Cc3ccccc3)C2)ncc1C(=O)NCc1ccccc1 72345551 ITXGIHFVTQPAHK-JOCHJYFZSA-N 428.536 3.664 0 40 IHAB Cc1cnc(C(=O)N2CCC[C@@H](c3nc(N(C)C)ncc3-c3cccc(Cl)c3)C2)cn1 72376654 IIWDQGZFZULIGV-QGZVFWFLSA-N 436.947 3.981 0 40 IHAB O=C(c1nnn(-c2ccccc2)c1-c1ccccn1)N1CCN(c2ccccc2Cl)CC1 77199868 AWHBSUVBLAVDAN-UHFFFAOYSA-N 444.926 3.945 0 40 IHAB C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NCCCCN2CCN(c3ccccc3)CC2)c1 84687076 BBCHSWCDTLTDGD-HYBUGGRVSA-N 434.584 3.613 0 40 IHAB COc1ccc([C@@H]2[C@@H](C(=O)NCC(=O)c3ccccc3)c3ccccc3C(=O)N2C)cc1 95478411 OYZDWPYZUCVBHO-BJKOFHAPSA-N 428.488 3.605 0 40 IHAB CC(C)[C@@H]1N=C(O)c2ccccc2N(CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1=O 95480689 DKSDFBBFOZZDIY-SFHVURJKSA-N 435.402 3.900 0 40 IHAB CC[C@]1(C(=O)c2ccccc2)[C@H]2c3cc(Br)ccc3OC(=O)[C@@]21C(=O)OC 100117535 SPEZWJOIRKUOFO-HBGVWJBISA-N 429.266 3.904 0 40 IHAB CN(C)c1ncc(-c2ccccn2)c([C@H]2CC[C@H](CNC(=O)CCc3ccno3)CC2)n1 100152663 MFNYXPKXKIILMH-HDICACEKSA-N 434.544 3.615 0 40 IHAB O[C@H]1CC[C@H](Nc2ncc3nc(Nc4c(F)cc(F)cc4F)n([C@H]4CCOC4)c3n2)CC1 100285204 IBGLGMOPHJQDJB-MELADBBJSA-N 448.449 3.664 0 40 IHAB in-man Cc1ccc2c(c1)[C@@H](NC(=O)CCCN(c1ccccc1)S(C)(=O)=O)CC(C)(C)O2 219174468 JOWJGFNLJHAKST-FQEVSTJZSA-N 430.570 3.960 0 40 IHAB COc1ccc2c(c1)[C@@H](NC(=O)[C@H](C)N(c1cccc(C)c1)S(C)(=O)=O)CC(C)(C)O2 220150213 YGLNKTMJEQYDMU-JXFKEZNVSA-N 446.569 3.577 0 40 IHAB COc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN(C)C)cc1 223237701 LUSACEARKGVBFH-DHIUTWEWSA-N 435.597 3.805 0 40 IHAB CCc1ccc(CC)c(CNC(=O)[C@@H](CC)N(c2cccc(OC)c2)S(C)(=O)=O)c1 223741245 CGCCYGWCKMCRAD-JOCHJYFZSA-N 432.586 3.681 0 40 IHAB CC(C)c1ccccc1OCCNC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 223776709 XSHSLTDXYAERFB-UHFFFAOYSA-N 436.549 3.691 0 40 IHAB CCc1ccc(N([C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)S(C)(=O)=O)cc1 224888140 OYZLJHMJLJQPAJ-ZDUSSCGKSA-N 430.448 3.941 0 40 IHAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)n1 225288195 XJXFXQIBUJDRGC-UHFFFAOYSA-N 438.553 3.585 0 40 IHAB O=C(c1ccc(-n2cccc2)cc1)N1CCC(Cc2n[nH]c(=O)n2-c2ccccc2F)CC1 225543351 ZETJFPPODDLSOC-UHFFFAOYSA-N 445.498 3.585 0 40 IHAB CCn1c(=O)sc2cc(S(=O)(=O)Nc3ccccc3C(=O)N3CCCCC3)ccc21 225694598 JPQOUCGBYTUEDO-UHFFFAOYSA-N 445.566 3.510 0 40 IHAB CCCn1c(=O)sc2cc(S(=O)(=O)NCCSCc3ccccc3F)ccc21 225727890 OBZIXHGGZUYIJP-UHFFFAOYSA-N 440.587 3.824 0 40 IHAB CCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(Cc3noc(C(C)C)n3)cc2)cc1 225964262 OMUFDMPGMISVAL-UHFFFAOYSA-N 428.514 3.798 0 40 IHAB Cc1c(Cl)cccc1N(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C1=O)[C@@H]1C[C@H]31)C(=O)C(F)(F)F 226401160 UOFDCAXNIFHUFR-VXIFJJJUSA-N 438.833 3.554 0 40 IHAB O=C(N1CCC[C@H](Cc2ccc3nccn3n2)CC1)C1(c2ccccc2F)CCOCC1 257214540 CMJRCHFHGLCOCF-IBGZPJMESA-N 436.531 3.788 0 40 IHAB CC(=O)Nc1cccc(NC(=O)CCc2ccc(S(=O)(=O)NC3CCCCC3)cc2)c1 408584772 UWQYJICMGIHYGI-UHFFFAOYSA-N 443.569 3.827 0 40 IHAB CCCOC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2c(C)cccc2C)cc1 408667749 KJLVBDPJPKKMBG-UHFFFAOYSA-N 440.496 3.771 0 40 IHAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(C(=O)Nn4c(C)ccc4C)cc3)CC2=O)cc1 408687229 TXUMCUVBNDWOKP-HXUWFJFHSA-N 430.508 3.789 0 40 IHAB CS(=O)(=O)N(CCCC(=O)Nc1ccc2ccccc2c1)c1ccc2c(c1)OCO2 408702791 CXDMIDBYKQPLAK-UHFFFAOYSA-N 426.494 3.753 0 40 IHAB COc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccc(OCC(=O)O)c(OC)c2)S1 408807918 LQFKUCOQJZMIRX-UHFFFAOYSA-N 449.892 3.584 0 40 IHAB COc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccc(Cl)cc3)[C@@H]2c2ccc(C)cc2)cc1 409059873 YDABERZIOAKJGF-VNGKGULCSA-O 448.930 3.673 0 40 IHAB C[C@@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2cccc(Cl)c2)n1C 409341437 BTEYTNKETZGFAV-CYBMUJFWSA-N 429.933 3.690 0 40 IHAB CCC(CC)CN1CCC2(CCCCOCCCNC(=O)[C@H](CC(C)C)NC2=O)CC1 643581509 JCUDXTZERHLMNS-QFIPXVFZSA-N 437.669 3.743 0 40 IHAB CC(C)N1C(=O)c2ccccc2[C@H](C(=O)N2CCC2)C12CCN(C(=O)c1ccccc1)CC2 1549167586 QEEIWWFNHJRFCX-HSZRJFAPSA-N 445.563 3.542 0 40 IHAB CS(=O)(=O)c1ccc(CCC(=O)NC[C@H](O)c2ccc(-c3cccs3)s2)cc1 1775966399 BRCWFOZEEQSQET-INIZCTEOSA-N 435.592 3.663 0 40 IHAB COc1ccccc1[C@@H]1CC(c2ccc(NS(C)(=O)=O)cc2)=NN1C(=O)c1ccco1 645085 ISGWVSLASIOMKT-IBGZPJMESA-N 439.493 3.651 0 40 IHAB CCn1c(CSc2nc(C)cc(C)n2)nnc1SCC(=O)Nc1ccccc1OC 903423 CHFRCLNMBATHBM-UHFFFAOYSA-N 444.586 3.737 0 40 IHAB CCc1cc(=O)oc2cc(C)cc(OCC(=O)N[C@@H](Cc3ccc(Cl)cc3)C(=O)O)c12 2125104 OJUPJYPBBXUCNE-KRWDZBQOSA-N 443.883 3.508 0 40 IHAB biogenic COc1ccc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1 2209703 LIQQGWZYCBDNCI-UHFFFAOYSA-N 439.459 3.677 0 40 IHAB Cn1c(SCC(=O)Nc2c(F)cc(F)cc2Br)nnc1-c1ccncc1 2355917 VFHQBBOOGRORQV-UHFFFAOYSA-N 440.273 3.649 0 40 IHAB COc1ccc(S(=O)(=O)N2CCN=C2SCc2ccc(Br)cc2)cc1 2711492 FMVHJUZMFXDMIO-UHFFFAOYSA-N 441.372 3.751 0 40 IHAB Cc1cccc(-n2c(N)cc(=O)nc2SCC(=O)Nc2cccc(C(F)(F)F)c2)c1 2797455 YTSNVGSINYUYJE-UHFFFAOYSA-N 434.443 3.873 0 40 IHAB O=C(c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1)N1CC=C(c2ccccc2)CC1 2952252 ABGAVZQDWUGXRQ-UHFFFAOYSA-N 437.499 3.668 0 40 IHAB CC[C@](C)(C(=O)NC1CCCCC1)N(Cc1ccco1)C(=O)CNC(=O)c1ccccc1 4079239 OLYVBSNFFIAZHX-RUZDIDTESA-N 439.556 3.656 0 40 IHAB O=C(c1ccc2c(c1)OCO2)N(C[C@@H]1CCCO1)C1(C(=O)NC2CCCC2)CCCCC1 4434644 QDDGRKZOJVDKNF-FQEVSTJZSA-N 442.556 3.798 0 40 IHAB CCN(CC)CCCn1c2c(c(SCC(=O)Nc3ccc(C)cc3)nc1=O)CCC2 5254343 GAUAKDULJIIKRK-UHFFFAOYSA-N 428.602 3.503 0 40 IHAB CCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(Br)c(OC)c3)CC2=O)cc1 8452895 UOVNRFUIGVEMSI-ZDUSSCGKSA-N 433.302 3.848 0 40 IHAB Cn1c(=O)c2c(SCc3c(F)cccc3Cl)nc(CC(C)(C)C)nc2n(C)c1=O 8657570 NHFVCOZQGZYVQP-UHFFFAOYSA-N 436.940 3.701 0 40 IHAB Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c2ccccc2n1 8752666 XYQNAAFHVWRERT-IRXDYDNUSA-N 439.537 3.593 0 40 IHAB C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)Oc1ccc(C(=O)c3ccccc3)cc1)C2=O 8825361 FZHBRENYVYTLFP-MRDQGFSESA-N 448.519 3.960 0 40 IHAB CCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1 8867379 HGUDFXPOBFYPQY-UHFFFAOYSA-N 428.219 3.848 0 40 IHAB CCc1ccccc1NC(=O)CN(C)C(=O)CSc1nc(-c2ccc(Cl)cc2)n[nH]1 9166054 NUZSLLQKIOTEEZ-UHFFFAOYSA-N 443.960 3.877 0 40 IHAB CSc1ccccc1NC(=O)CSc1nnc(CC(=O)Nc2ccc(F)cc2)n1C 9263671 PSIDDQVZHDZKTB-UHFFFAOYSA-N 445.545 3.588 0 40 IHAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc2c(c1)[nH]c(=O)c(=O)n2CC 9349149 ZLPHJTSONHLOIY-UHFFFAOYSA-N 435.402 3.770 0 40 IHAB Cc1nc2cc(C(=O)OCC(=O)Nc3ccc4c(c3)OCCO4)ccc2n1-c1ccccc1 9349570 HDRRERVYLKZSNP-UHFFFAOYSA-N 443.459 3.901 0 40 IHAB C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N[C@@H]2CCSc3ccccc32)C1=O 9460345 YEOCKYFVDYLCAW-CJFMBICVSA-N 445.544 3.960 0 40 IHAB COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3ccco3)nn2[C@@H]1c1ccccn1 9602036 GCBKLIOQBJTSFB-HXUWFJFHSA-N 428.452 3.869 0 40 IHAB COc1ccc(OC)c(-n2nnc(-c3nsc(NC(=O)c4cccc(C)c4)n3)c2C)c1 9639087 ZHUCSXVLDPMDCK-UHFFFAOYSA-N 436.497 3.672 0 40 IHAB O=C(CS(=O)(=O)c1ccc(F)cc1)N(Cc1ccccn1)c1nc2ccccc2s1 9717023 KEIGURPSDYQLEE-UHFFFAOYSA-N 441.509 3.838 0 40 IHAB COc1ccc(-c2cc3ncnc(Sc4nnnn4C[C@@H]4CCCO4)c3s2)cc1 9779248 KREZXJCVJYJZQE-AWEZNQCLSA-N 426.527 3.684 0 40 IHAB CN(C)[C@H](CNC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O)c1ccccc1 9954332 URURFWHGSHRFQT-QGZVFWFLSA-N 438.578 3.606 0 40 IHAB COc1cn(CC(=O)Nc2cccc3ccccc23)c(CSc2ncccn2)cc1=O 10254900 FPYDDXPQUIAOSR-UHFFFAOYSA-N 432.505 3.731 0 40 IHAB Cc1ccccc1N1C(=O)c2ccc(C(=O)OCC(=O)Nc3cccc(F)c3)cc2C1=O 11220635 PYHUOBQAPBKLHT-UHFFFAOYSA-N 432.407 3.730 0 40 IHAB Cc1cc(C(F)F)n2ncc(C(=O)N3CCC[C@H](c4ncncc4-c4ccncc4)C3)c2n1 12088579 XFIVDTZNIRBYLT-INIZCTEOSA-N 449.465 3.847 0 40 IHAB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NCCc2ccc(F)cc2)cc1 12683255 CEOMHPJBAQBSSE-UHFFFAOYSA-N 442.512 3.632 0 40 IHAB CCC(C)(C)n1nnnc1[C@H](c1ccccc1F)N1CCN(c2cccc(OC)c2)CC1 13504177 HCLODEHMIYYCMV-QFIPXVFZSA-N 438.551 3.878 0 40 IHAB COc1cc(NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)c(OC)cc1NC(=O)c1ccccc1 13568093 QKSLCRIDGCEEBP-INIZCTEOSA-N 439.512 3.542 0 40 IHAB Cn1c(=O)c2c(-c3ccc(Cl)cc3)n3c(c2n(C)c1=O)[C@H](c1cccs1)OCC3 13573896 FVOOEPJOBGJNDG-IBGZPJMESA-N 427.913 3.540 0 40 IHAB Cc1cc(C(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)c(C)s1 14182305 UXPISQQESDFIRB-UHFFFAOYSA-N 425.476 3.780 0 40 IHAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 14200814 CMJXKCOBLDELLV-HXUWFJFHSA-N 426.476 3.846 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCSc4ccc(F)cc43)CC2)cc1 14244500 GRRIJVDGIFQKGA-HXUWFJFHSA-N 448.585 3.888 0 40 IHAB Cc1ccc(NC(=O)c2ccc(NC(=O)C[C@H]3SC(N4CCCC4)=NC3=O)cc2)cc1 14683194 VPXDYCHLKFLWKP-LJQANCHMSA-N 436.537 3.670 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(c3nnc(NC(=O)c4ccccc4)s3)CC2)cc1 15024151 SCMUQMGRDDRNSJ-UHFFFAOYSA-N 442.566 3.667 0 40 IHAB COc1ccc(N2C(=O)CN(c3cc(OC)ccc3OC)C(=O)[C@@H]2c2ccccc2)cc1 15412537 FMHOHHVACFICBH-DEOSSOPVSA-N 432.476 3.834 0 40 IHAB COc1ccc2nc(SCC(=O)Nc3nc(C)c4c(n3)CC(C)(C)CC4=O)[nH]c2c1 16266307 QOSJDYNQADDWNF-UHFFFAOYSA-N 425.514 3.556 0 40 IHAB COc1ccccc1C1(CNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)CCOCC1 16975880 OISJPCXUHRJZLP-UHFFFAOYSA-N 436.430 3.517 0 40 IHAB O=C(CSc1nccn2nc(-c3ccccc3)cc12)N1CCN(c2ccccc2F)CC1 17191735 OMNYANUYXYTLMX-UHFFFAOYSA-N 447.539 3.976 0 40 IHAB Cc1ccsc1CN1CCc2nc([C@H]3CCCN3C(=O)C3CCCCC3)[nH]c(=O)c2C1 19238670 XYQPQAOGDURNBX-HXUWFJFHSA-N 440.613 3.942 0 40 IHAB Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)COc2ccc(F)cc2)cc(N(C)C)n1 19240862 KFOFOVOCECCLTQ-QFIPXVFZSA-N 447.514 3.950 0 40 IHAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)OCc2cc(Cl)c3c(c2)OCCCO3)c1 19298513 DYIJAAQWMALABE-UHFFFAOYSA-N 432.860 3.775 0 40 IHAB CCNC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CCCN(C(=O)Cc2cccnc2)C1 19528557 KVMBUNODWATJQT-MHZLTWQESA-N 442.563 3.674 0 40 IHAB COc1ccccc1CNC(=O)c1cnc(C2CCN(c3cc(C)nc(C)n3)CC2)nc1C 19766627 SEJYIMLJEQFXMH-UHFFFAOYSA-N 446.555 3.514 0 40 IHAB O=C(NCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 19868343 YALNAOMIUJDFLZ-UHFFFAOYSA-N 441.380 3.852 0 40 IHAB CN(C)S(=O)(=O)N(CC(=O)Nc1ccccc1Oc1ccccc1)c1ccc(F)cc1 20245375 YYMNNTDREZXFIB-UHFFFAOYSA-N 443.500 3.870 0 40 IHAB Cc1noc2nc(-c3ccccc3)cc(C(=O)N3C[C@H](C(=O)N(C)C)Oc4ccccc43)c12 22319795 ROURZLDOKSUDEY-OAQYLSRUSA-N 442.475 3.694 0 40 IHAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1 22536807 IFAHIUJHFIRCLO-RBUKOAKNSA-N 432.586 3.945 0 40 IHAB Cn1cnnc1Sc1ccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)cc1 22959184 SIWBPYMDWZUBPK-UHFFFAOYSA-N 430.433 3.666 0 40 IHAB CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)c1ccc2c(c1)OCCCO2 23054345 FBOZIDUUIPIJTI-SBUREZEXSA-N 426.488 3.853 0 40 IHAB Cc1noc(C)c1COc1ccccc1C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 23076232 HNGFAOVWHXBEEO-AWEZNQCLSA-N 428.510 3.765 0 40 IHAB CN(C)[C@H](CNC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)c1ccccc1Cl 23294983 AEGLIRYQCMNFKF-OAQYLSRUSA-N 449.929 3.890 0 40 IHAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(Cc1nnnn1-c1ccccc1)CC2 23983168 XDGJSCHAHJVNDD-VWLOTQADSA-N 427.508 3.827 0 40 IHAB O=C1CCCN1Cc1nnc(SCc2ccc(OC(F)(F)F)cc2)n1-c1ccccn1 24838657 YKWJKKKTWGSLRE-UHFFFAOYSA-N 449.458 3.976 0 40 IHAB C[C@H](Cc1cccs1)N(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 24978202 DPKTWNXDAILQIN-MRXNPFEDSA-N 442.562 3.901 0 40 IHAB CCCOc1ccc(/C=c2/sc3nc(-c4ccccc4Br)nn3c2=O)cc1 26533793 NGQIWOQSIPCXNH-SFQUDFHCSA-N 442.338 3.917 0 40 IHAB CCOc1cc(C(=O)NC[C@H](c2ccccc2)N2CCOCC2)cc(OCC)c1OCC 29084732 VIVJBAKJHXPJQZ-OAQYLSRUSA-N 442.556 3.686 0 40 IHAB COc1cc(OC)c(OC)cc1CNC(=O)C1(c2ccc3c(c2)OCCO3)CCCC1 32411252 QLQKRNSQNNTVLY-UHFFFAOYSA-N 427.497 3.612 0 40 IHAB CCOc1ccc(N[C@H](C)c2nnc(-c3ccc(OC)cc3)o2)cc1S(=O)(=O)N(C)C 32814600 VRAOPSNZQGADKX-CQSZACIVSA-N 446.529 3.567 0 40 IHAB CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(OC)cc2)=N[C@H]1c1ccccc1 33634525 PYVFOSBLVJDKOL-NRFANRHFSA-N 439.537 3.905 0 40 IHAB CC(C)c1ccc(-n2nnnc2C2(N3CCN(C(=O)c4ccco4)CC3)CCCCC2)cc1 35622308 HDWZEDYDKYVWTR-UHFFFAOYSA-N 448.571 3.996 0 40 IHAB Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3ccc([C@]4(C)NC(=O)NC4=O)cc3)c12 36753003 UXXXQFGVDDGLCD-DEOSSOPVSA-N 441.447 3.505 0 40 IHAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)Nc2ccc(OC(F)(F)F)cc2)cc1 40005353 NGANSOGNBRQJHC-ZDUSSCGKSA-N 445.463 3.711 0 40 IHAB COC(=O)c1ccc(N2CCCC2)c(NC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)c1 40104471 UBZGCFCVULCKGD-OAQYLSRUSA-N 427.476 3.818 0 40 IHAB CSc1ccc(-c2noc(Cn3ncn4nc(-c5ccc(C)cc5C)cc4c3=O)n2)cc1 49004320 ZSZCJJFIMXPHLN-UHFFFAOYSA-N 444.520 3.995 0 40 IHAB CCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccc2c(c1)OCCCO2 64986895 ZGHJCUQOGSYKJU-UHFFFAOYSA-N 428.489 3.996 0 40 IHAB O=C(Nc1cccc(-c2cn3c(n2)CCCC3)c1)c1ccc(=O)n(Cc2ccccc2)n1 69950356 VZFBQOPTBJBLSL-UHFFFAOYSA-N 425.492 3.744 0 40 IHAB O=C(Nc1ccc(F)c(C(F)(F)F)c1)[C@@H]1CCCN(c2cc(-n3cccn3)ncn2)C1 70655989 CBLHKQZJQJCIFN-CYBMUJFWSA-N 434.397 3.675 0 40 IHAB COCCNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCCN1Cc1ncc[nH]1 72370653 PHSZSYXJCMMUMM-KRWDZBQOSA-N 426.586 3.988 0 40 IHAB Cc1noc2ncc(S(=O)(=O)N3CCN(Cc4ccccc4)C4(CCCCC4)C3)cc12 78967321 KHZGSCXCFOYUFI-UHFFFAOYSA-N 440.569 3.741 0 40 IHAB COc1cccc2cc(C(=O)NCC(O)(c3cccs3)c3cccs3)c(=O)oc12 90617218 MVAGWNUUCCRQGD-UHFFFAOYSA-N 427.503 3.591 0 40 IHAB CC[C@@H](NCC(=O)N(Cc1ccccc1)c1ccccc1)c1cccc(S(N)(=O)=O)c1 95462598 RIOCCWZQNOPFOE-HSZRJFAPSA-N 437.565 3.608 0 40 IHAB CCOc1ccccc1C(=O)NCC(=O)N(C)Cc1c(C)nn(-c2ccccc2C)c1C 95954694 BMJPYELANAUNQS-UHFFFAOYSA-N 434.540 3.585 0 40 IHAB O=S1(=O)CC[C@H](n2cc(CNc3nc4ccccc4n3CCCc3ccccc3)cn2)C1 97162776 GUHJXBPTRPEGSV-NRFANRHFSA-N 449.580 3.837 0 40 IHAB COc1ccc2c(c1)cc(C(=O)N[C@@H](C(=O)NCCc1c[nH]c3ccccc13)C(C)C)n2C 98031867 VWJWZGCPKPVYRD-XMMPIXPASA-N 446.551 3.782 0 40 IHAB C[C@H](NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 108933299 BEIZABVBAPSJGG-IAGYGMIVSA-N 434.583 3.590 0 40 IHAB CCc1ccc(OCC(=O)NCc2ccc(OC)c(OC)c2OC)c(Br)c1 218863273 QIEIDPPVTATONL-UHFFFAOYSA-N 438.318 3.733 0 40 IHAB CC[C@H](C(=O)N[C@@H](C)COc1ccccc1C)N(c1ccc(Cl)cc1)S(C)(=O)=O 219108354 QMYPVLOFCZEWDI-QFBILLFUSA-N 438.977 3.777 0 40 IHAB CC[C@H](NC(=O)c1cccc(N2CCCCS2(=O)=O)c1)c1ccc(OC)c(OC)c1 222563018 CUPUIWMOYBZBAL-IBGZPJMESA-N 432.542 3.515 0 40 IHAB COc1ccccc1CNS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)c1ccccc1 223268361 SZNJPFOPPMNPOP-QGZVFWFLSA-N 436.533 3.765 0 40 IHAB CN(C)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 223307800 SZWANEVGNSQQAI-UHFFFAOYSA-N 436.839 3.627 0 40 IHAB COc1ccc(OCCNC(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc1 224083781 PNVPXCCWRNILRG-UHFFFAOYSA-N 440.521 3.613 0 40 IHAB CC[C@H](C(=O)NCCOc1ccccc1Cl)N(c1ccc(C)c(C)c1)S(C)(=O)=O 224312271 XFBSPNXGJBWVBJ-LJQANCHMSA-N 438.977 3.697 0 40 IHAB CN(c1ccc(Cl)c(C(=O)Nc2ccccc2C(N)=O)c1)S(=O)(=O)c1ccccc1 224336839 VUOBGMXVXHURJS-UHFFFAOYSA-N 443.912 3.516 0 40 IHAB COc1cccc(N(Cc2ccc(C(=O)NCC3CCCCC3)cc2)S(C)(=O)=O)c1 224694115 WQCBDLPGEXPXKX-UHFFFAOYSA-N 430.570 3.972 0 40 IHAB CC(C)Oc1ccc(CCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1 225511100 WEVRGJUKFVJMIZ-NRFANRHFSA-N 444.597 3.624 0 40 IHAB CCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CCC(=O)Nc1ccccc1OC 225676951 UOLZUVMQEHNGRD-DHIUTWEWSA-N 449.580 3.913 0 40 IHAB O=C1CCCCCN1CC(=O)N1CCO[C@H](c2cccc(Cc3cccc(Cl)c3)n2)C1 257209073 BOVWNLQFSXOPTA-QFIPXVFZSA-N 441.959 3.628 0 40 IHAB Cc1ccc(CC(=O)N2CCC[C@@H](c3nc(C)c(CC(=O)NC4CCCC4)c(C)n3)C2)cc1 257215948 CSJYKAVTZKSGKT-JOCHJYFZSA-N 448.611 3.952 0 40 IHAB Cc1cc(Nc2ccccn2)cc([C@@H]2CN(C(=O)c3ccc4c(c3)OCCO4)CCO2)n1 257221783 DQMFYVUXMWSQQW-QFIPXVFZSA-N 432.480 3.514 0 40 IHAB O=C(Cc1c[nH]c2ccccc12)N1CCOC[C@]2(C1)CN(c1cccc(Cl)c1)C(=O)O2 257281226 OOEVHOMBACUOMI-QHCPKHFHSA-N 439.899 3.618 0 40 IHAB Cc1cccc(CN2CCC[C@@H]2c2cc3nc(C)c(CCC(=O)NC(C)C)c(C)n3n2)n1 257321607 WCIPWQVKHIXGJN-HSZRJFAPSA-N 434.588 3.844 0 40 IHAB CC[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1ccc(OC)c(C)c1 260841273 LGDYPZIPMOCYIC-ZWKOTPCHSA-N 436.599 3.733 0 40 IHAB Cc1nc(CN2CC[C@]3(CN(Cc4ccoc4)C[C@@H]3c3cn(C(C)C)cn3)C2=O)cs1 306124982 CDUQUZQRBVISDK-NFBKMPQASA-N 439.585 3.840 0 40 IHAB O=C1N(Cc2ccsc2)CCO[C@@]12CN(Cc1cccs1)C[C@H]2c1cccnc1 306142186 WSFJZCVPOZAWBT-RBBKRZOGSA-N 425.579 3.602 0 40 IHAB COc1cc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)cc(OC)c1OC 408930631 ZUGGTGNOLJVEQZ-OVCLIPMQSA-N 447.285 3.568 0 40 IHAB CCOc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)c(Br)cc1OCC(=O)O 409023120 DQPQRPBQLJTPPX-MKMNVTDBSA-N 444.303 3.756 0 40 IHAB Cc1cccc(NC(=O)CSc2nnc([C@@H](C)NC(=O)c3ccc(Cl)cc3)n2C)c1 409328708 AFONYPKTTLAVNK-CQSZACIVSA-N 443.960 3.999 0 40 IHAB CCOC(=O)c1c(NC(=O)CSc2n[nH]c(COc3ccccc3)n2)sc(C)c1C 409385030 IBKWXLHHZMHMQP-UHFFFAOYSA-N 446.554 3.970 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(F)cc3F)C2)cc1Cl 409391325 NBLLFNQKXIYUJV-GFCCVEGCSA-N 444.887 3.666 0 40 IHAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 409409015 FTKNAQWNRFTIDE-MSOLQXFVSA-N 445.585 3.625 0 40 IHAB O=C(N[C@H](Cn1ccccc1=O)c1ccccc1)N1CCCN(c2ccccc2F)CC1 504444447 VDKPMVNVOLJTNC-JOCHJYFZSA-N 434.515 3.651 0 40 IHAB COCCOc1cc(CN2CCC[C@](O)(COc3ccc(C)cc3)CC2)ccc1OC 585270172 HOGNUKYWOCMVJA-RUZDIDTESA-N 429.557 3.825 0 40 IHAB Cn1ccnc1COc1ccc(CN2CCC[C@@](O)(COc3ccccc3F)CC2)cc1 585271410 YDQDKKXDKFPANE-VWLOTQADSA-N 439.531 3.934 0 40 IHAB CCc1ccc2c(c1)Cc1cccc(c1)CN(C(=O)CCc1ccnn1C)CCOCCO2 643573925 RLQDMENKUYKMJP-UHFFFAOYSA-N 447.579 3.944 0 40 IHAB O=C(N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)c1ccnc(N2CCCCC2)n1 1525266712 DSTFHFGTICBYDX-QGZVFWFLSA-N 448.354 3.699 0 40 IHAB O=C(CN1CCN(c2c(Cl)cccc2Cl)CC1)NC[C@H]1CCN(c2ccccc2)C1 1658151171 ITFGRUODCQYHTP-GOSISDBHSA-N 447.410 3.758 0 40 IHAB O=C(O)[C@H](c1coc2cc(O)cc(O)c2c1=O)C(c1ccc(O)cc1)c1ccc(O)cc1 2332242925 KXKTWQFWNWHKBI-OAQYLSRUSA-N 434.400 3.616 0 40 IHAB COCCOC(=O)c1c(C)n(C)c2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc12 2223616 ZBQPQCSZDZWWJP-UHFFFAOYSA-N 427.453 3.526 0 40 IHAB biogenic COc1ccc(/C=C/C(=O)NCc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCCCC1 3305522 OCITXQCYUXANLW-XYOKQWHBSA-N 448.972 3.853 0 40 IHAB C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(Cl)cc1Cl 3552884 OJVOMSKWYOUFIY-ZDUSSCGKSA-N 443.352 3.505 0 40 IHAB Cc1ccc(C(=O)N[C@H]2CO[C@@H]3[C@H](OC(=O)Nc4cccc5ccccc45)CO[C@H]23)cc1 4235412 GVFIYTHODHFGJP-WBADGQHESA-N 432.476 3.662 0 40 IHAB biogenic,in-vitro Cc1nc2c(=O)n(CC(=O)N3CCCc4ccccc43)nc(-c3ccc(F)cc3)c2s1 8955468 ZKJCAPJJJFGFHL-UHFFFAOYSA-N 434.496 3.947 0 40 IHAB Cc1ccc2c(=O)cc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)oc2c1 9184853 JUTPJHNJFDKRMZ-UHFFFAOYSA-N 441.490 3.611 0 40 IHAB CSc1ncc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)n1 9431735 YXSUVLVPCWZRFR-GFCCVEGCSA-N 440.978 3.667 0 40 IHAB COc1cccc(-n2c(S[C@@H](C)C(N)=O)nc3sc4c(c3c2=O)CCCCC4)c1 9501014 KEBKCVRHFTWNHV-LBPRGKRZSA-N 429.567 3.691 0 40 IHAB O=C(COC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccc(F)c(F)c1F 9584304 MGOVXEXSISQUPQ-UHFFFAOYSA-N 442.393 3.683 0 40 IHAB O=C(CCC(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)c1ccc(Cl)s1 9640711 QHDHRNQBFDXZKX-UHFFFAOYSA-N 448.928 3.970 0 40 IHAB COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CCN(c2ccc(C)cc2C)CC1 9646388 JALSDFHFPGWHDZ-UHFFFAOYSA-N 444.578 3.816 0 40 IHAB COc1ccc(/C=C2/N=C(c3ccccc3)N(NC(=O)c3cccc(OC)c3)C2=O)cc1 9731144 LYOJZMYQRWLGLB-PXLXIMEGSA-N 427.460 3.679 0 40 IHAB Cc1noc(C)c1C(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 9971100 KZEMEUGYHZYFFQ-UHFFFAOYSA-N 443.481 3.506 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc(C(F)(F)F)c3)C2)cc1 9974475 WSPYQBQHFSGSFP-CQSZACIVSA-N 442.459 3.753 0 40 IHAB CCOC(=O)c1cc(C(C)C)sc1NC(=O)CSc1nnc(NCCOC)s1 10022445 VZWWPAQPVJQASR-UHFFFAOYSA-N 444.604 3.689 0 40 IHAB COC(=O)c1cc(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)ccc1N1CCOCC1 10059844 JJKBXVSTPFOIEW-UHFFFAOYSA-N 439.295 3.878 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3C[C@H]3c3ccccc3Cl)CC2)cc1C 10086407 UHIAAAKMABZWAN-PMACEKPBSA-N 432.973 3.593 0 40 IHAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(Br)c2)c(C)c1 10112370 ZUYKWNUMGWIKBU-UHFFFAOYSA-N 428.304 3.744 0 40 IHAB CCCNC(=O)c1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 10314951 QNLGICMYKHARMX-UHFFFAOYSA-N 437.521 3.880 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc2cc(Cl)ccc2oc1=O 10386849 JUPVTAUHOPCVID-UHFFFAOYSA-N 446.912 3.873 0 40 IHAB CCc1c(C)sc2nc(S[C@H](C)C(=O)NC(=O)NC)n(-c3cccc(C)c3)c(=O)c12 11521910 ZXPBFRLBXQXCTG-CYBMUJFWSA-N 444.582 3.563 0 40 IHAB COc1ccccc1N1CCN(C(=O)CS[C@@H]2CCc3ccccc3N=C2O)CC1 12322126 PYJFJINKPUXREL-OAQYLSRUSA-N 425.554 3.680 0 40 IHAB COc1ccccc1C(=O)NC(=O)CSc1nnc(-c2cccc(Br)c2)o1 12800288 FHUBLTTYKWSSSJ-UHFFFAOYSA-N 448.298 3.556 0 40 IHAB CCCCNC(=O)CN1CCN(C(=O)c2ccc(-c3nc4ccccc4s3)s2)CC1 12993357 HEKAEOVPMOQJIR-UHFFFAOYSA-N 442.610 3.699 0 40 IHAB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 13038990 JWHOHGHHFQRAGW-IYBDPMFKSA-N 426.513 3.562 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccccc3)cc2)cc1 14004394 NNGJAKQWTWJAMC-INIZCTEOSA-N 426.494 3.902 0 40 IHAB CC(C)OC(=O)C[C@@H](NC(=O)CCn1c(=O)n(C)c2ccccc21)c1ccccc1Cl 14806769 TYFCULWWJIYBIY-GOSISDBHSA-N 443.931 3.583 0 40 IHAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cccc(OCc2ccccc2)c1 15718297 LGLBRWVNFCXKFB-UHFFFAOYSA-N 436.533 3.719 0 40 IHAB COC[C@@H]1Cc2cc(OC)c3c(c2[C@H](c2ccc(OC)c(OC)c2)[C@H]1COC)OCO3 15778313 LBJCUHLNHSKZBW-XGHQBKJUSA-N 430.497 3.654 0 40 IHAB biogenic COc1ccccc1NC(=O)Nc1nc(CC(=O)Nc2cccc(NC(C)=O)c2)cs1 15880771 PEJQDWCWUOYLBA-UHFFFAOYSA-N 439.497 3.935 0 40 IHAB Cc1ccc(OCC(=O)NC(=S)Nc2ccc(Br)cc2C(=O)O)c(C)c1 16285001 ALMJVBKSHDGNMT-UHFFFAOYSA-N 437.315 3.656 0 40 IHAB COc1ccccc1N1CCN(C(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)CC1 17333525 LONNZVMQJHOMLF-UHFFFAOYSA-N 445.519 3.566 0 40 IHAB COc1ccccc1CC(=O)N1CCCC[C@H]1c1nc(N(C)C)ncc1-c1cc(C)no1 19121888 RYYJFNJBWZQWTG-IBGZPJMESA-N 435.528 3.811 0 40 IHAB O=C(c1ccc(=O)[nH]c1)N1CCC[C@H](c2nc(-c3cccs3)cc(C(F)(F)F)n2)C1 19344372 ORQSVWGOQJUEOX-ZDUSSCGKSA-N 434.443 3.932 0 40 IHAB CCOc1ccc(CC(=O)N2CCC[C@@H](c3cc(N(C)C)nc(-c4cccnc4)n3)C2)cc1 19532849 GWUROBUOAOHRIF-OAQYLSRUSA-N 445.567 3.952 0 40 IHAB Cc1nc(C2CCN(C(=O)c3c[nH]nc3C)CC2)ncc1C(=O)Nc1ccc(Cl)cc1 19763810 KSMJMQNBQZAYJA-UHFFFAOYSA-N 438.919 3.742 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N(C)c1ccc2sc(C(=O)NC3CC3)cc2c1 20448226 DWJATHNQXLLEBV-UHFFFAOYSA-N 430.551 3.936 0 40 IHAB CCOC(=O)[C@H]1CCCN([C@@H](c2ccc(CC)cc2)c2sc3nc(CC)nn3c2O)C1 22853415 WRSLWJOBTJUQPZ-HKUYNNGSSA-N 442.585 3.986 0 40 IHAB COc1ccc([C@H]2CCCCCN2C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)cc1 24775152 YTELFJZWRTVSNX-GHTZIAJQSA-N 436.508 3.921 0 40 IHAB O=C(Nc1cccc(/C=C/c2ccccn2)c1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 29011224 BZQYJSYXZJMOHW-LKGOPFMKSA-N 427.460 3.972 0 40 IHAB CCOC(=O)c1sc(NC(=O)CSc2nnnn2-c2c(C)cccc2C)cc1C 29437799 HTDJNJVSOZYTNJ-UHFFFAOYSA-N 431.543 3.557 0 40 IHAB CN(CC(=O)Nc1ccccc1Br)CC(=O)Nc1ccccc1OC(F)F 31205593 CBMJIBCAXNIJRN-UHFFFAOYSA-N 442.260 3.560 0 40 IHAB CCOc1cc(C(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)cc(-c2ccccc2)c1OC 32297477 UYOMLRJTDLRRAZ-OALUTQOASA-N 426.557 3.990 0 40 IHAB O=C(CSc1nc2ncccc2c(=O)n1-c1ccccc1)NCc1ccc(Cl)cc1 32876514 IYSPJNXWFCWDKQ-UHFFFAOYSA-N 436.924 3.843 0 40 IHAB CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCc1ccc(-n2cccn2)nc1 32901068 HRYCNVXRYNNPBD-LJQANCHMSA-N 446.338 3.645 0 40 IHAB O=C(CSc1nnc2c(n1)[nH]c1ccc(Br)cc12)NCc1ccccc1 35312614 OYNHZZQSMNQYIH-UHFFFAOYSA-N 428.315 3.677 0 40 IHAB COc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c1 38753973 CORNUYJRGSCZJK-INIZCTEOSA-N 426.494 3.902 0 40 IHAB CCOc1ccc(-c2cc(C(=O)N3CCC(NC(=O)c4cccc(OC)c4)CC3)[nH]n2)cc1 49406698 KCQWUBYBIXOLBU-UHFFFAOYSA-N 448.523 3.519 0 40 IHAB CCN(C(=O)Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2ccccc21)c1cccc(C)c1 51357798 COQDADZGQSZRBV-UHFFFAOYSA-N 445.494 3.712 0 40 IHAB O=C(NC[C@H](c1ccco1)N1CCN(c2ccccc2F)CC1)c1c(F)cccc1F 56945761 VCJTYWFSPHJWNM-HXUWFJFHSA-N 429.442 3.990 0 40 IHAB O=C(NC(=S)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1)c1ccccc1F 57316720 ANXFNXLSQFMHSV-UHFFFAOYSA-N 449.832 3.872 0 40 IHAB COc1cccc(CNC(=O)CSc2nc3ccsc3c(=O)n2CC(C)C)c1OC 57426268 IVIAXKOFOHHXQR-UHFFFAOYSA-N 447.582 3.540 0 40 IHAB O=C(CSc1cc(N2CCSCC2)ncn1)Nc1cccc(Br)c1 57505603 CTZAKUGKPJVIJY-UHFFFAOYSA-N 425.377 3.523 0 40 IHAB Cc1cc2nc(SCC(=O)NCCC3=CCCCC3)n(Cc3ccco3)c(=O)c2[nH]1 67236265 CPCBGDQCYJFZBS-UHFFFAOYSA-N 426.542 3.773 0 40 IHAB CN(C)[C@H](CNC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1cccs1 69352408 HPLOVMKAUMESAU-XJKSGUPXSA-N 425.476 3.539 0 40 IHAB Cc1cnc(C(=O)N2CCC[C@@H]2c2nc(C)c3c(n2)N(CCc2ccccc2)CCC3)cn1 72373786 AFYZPVBFKPXAFX-HSZRJFAPSA-N 442.567 3.856 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H]1c1cncc(Nc2cccc(C)n2)n1 72376352 KFJSNZFADCJESE-SFHVURJKSA-N 439.541 3.766 0 40 IHAB Cc1cnc(-c2nnc([C@H]3CC[C@H](CNC(=O)Cc4sc(C)nc4C)CC3)o2)cn1 100156199 RSFHOOAQJRBWQP-IYBDPMFKSA-N 426.546 3.541 0 40 IHAB C[C@@H](OC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1)C(=O)c1ccccc1 100751099 ZJKKXFCDMACDCE-XTIQITOGSA-N 441.483 3.672 0 40 IHAB Cc1cccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1 101597122 GADQCFHJTLPHNF-XPOUIUQRSA-N 426.516 3.598 0 40 IHAB COc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@H]4C[C@H](C)CC[C@H]4C3=O)cc2)cc1 102642525 OZENKDBZZCUWAR-LPTQZCDUSA-N 435.476 3.661 0 40 IHAB COc1ccc(CN(C(C)=O)[C@H](Cc2ccccc2)C(=O)NCc2ccccc2OC)cc1 223261121 KCPINGBHYDGOEA-RUZDIDTESA-N 446.547 3.980 0 40 IHAB COc1cc(C)c([C@@H](C)NC(=O)[C@@H](c2ccccc2)N(C)S(C)(=O)=O)cc1C(C)C 223381241 WFNXEOINUYSANG-VGOFRKELSA-N 432.586 3.937 0 40 IHAB COc1ccc(NC(=O)c2ccc(CN(C)S(=O)(=O)c3ccc(C)cc3)o2)c(OC)c1 223404627 MMSBVCBTZYAAMF-UHFFFAOYSA-N 444.509 3.678 0 40 IHAB COC[C@@H](C)Nc1ccc(C(=O)OC(C)C)cc1S(=O)(=O)Nc1ccc(OC)cc1 223428158 LXTPXLGPBCFJMC-OAHLLOKOSA-N 436.530 3.508 0 40 IHAB CCc1ccccc1N(CC(=O)NCCOc1ccccc1C(C)(C)C)S(C)(=O)=O 223678210 ONOHBJBCOXYDFN-UHFFFAOYSA-N 432.586 3.508 0 40 IHAB Cc1ccc(OCCNC(=O)c2cccc(S(=O)(=O)N(C)c3cccc(C)c3)c2)cc1 224141964 KLFNHMQYGXGFMR-UHFFFAOYSA-N 438.549 3.937 0 40 IHAB COc1ccc(CNC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3F)c2)cc1 224154065 JUUHVASDGUFZLZ-UHFFFAOYSA-N 428.485 3.589 0 40 IHAB COC(=O)CN(c1ccc(Br)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1 224711004 QCICYKOWGHWLDB-UHFFFAOYSA-N 432.723 3.779 0 40 IHAB CCC1(CC)C[C@H](NS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)c2ccccc2O1 225094228 LAVQACLPIMCYBK-IBGZPJMESA-N 442.537 3.701 0 40 IHAB COc1ccc([C@@H]2C[C@]3(C)NC(=O)CCC[C@@H]3N2CC(=O)Nc2nc(C)c(C)s2)cc1 257261572 LHXQLIAVNYDXMG-YDHSSHFGSA-N 442.585 3.581 0 40 IHAB CCCOC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(C)cc2)cc1 408666663 OMQRBNVQMYGJCQ-UHFFFAOYSA-N 440.496 3.853 0 40 IHAB CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)C(=O)NCc1ccccc1 408719537 FPGDJNZXYLDLNS-HXUWFJFHSA-N 426.513 3.720 0 40 IHAB COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)cc1 408908205 VHSOLQUMIZUIQZ-UHFFFAOYSA-N 426.494 3.822 0 40 IHAB O=C(COc1ccc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1)Nc1ccccc1 409237231 IPCMZESHPHODTB-PXLXIMEGSA-N 427.460 3.797 0 40 IHAB Cc1ccccc1NC(=O)CSc1nnc([C@@H](C)NC(=O)c2ccc(Cl)cc2)n1C 409342072 DDICLLGZCSIAJH-CQSZACIVSA-N 443.960 3.999 0 40 IHAB O=C(c1cccs1)N1CCO[C@]2(C1)C(=O)N(Cc1cccs1)C[C@@H]2c1ccccc1 585107054 PEOZSFPPTPXLDU-XXBNENTESA-N 438.574 3.847 0 40 IHAB COc1cc(C(=O)NC(=S)Nc2ccc(Cc3ccncc3)cc2)cc(OC)c1OC 881695 WSLPNWVGCWABKV-UHFFFAOYSA-N 437.521 3.825 0 40 IHAB CCCc1cc(=O)oc2cc(C)cc(OC(=O)CCNS(=O)(=O)c3ccc(C)cc3)c12 2092467 KZBALYBKYHAGII-UHFFFAOYSA-N 443.521 3.636 0 40 IHAB biogenic Cc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc4n3-c3ccccc3SC4)C2)cc1 2638051 ZCBUWBFXMDMHPB-INIZCTEOSA-N 426.567 3.750 0 40 IHAB CC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)cc1 3517735 GWVOJUDDZIVNDD-UHFFFAOYSA-N 434.517 3.889 0 40 IHAB C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)N[C@@H]2CCCc3ccccc32)C1=O 3595006 YOVAKIDFEUXRFV-GCJKJVERSA-N 446.334 3.954 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCC(=O)Nc1ccccc1)n2CC 6153655 ZYGVTBVRHCJOLL-UHFFFAOYSA-N 446.598 3.818 0 40 IHAB CCCCCn1nc(C(=O)Nc2cc(OC)c(OC)c(OC)c2)c2ccccc2c1=O 6213274 QALDJSVXYDLXRO-UHFFFAOYSA-N 425.485 3.865 0 40 IHAB CCc1ccc(C(=O)c2cn(CC(=O)NC3CCCCC3)c3nc(C)ccc3c2=O)cc1 8599062 XTKFOZNHHQCRQP-UHFFFAOYSA-N 431.536 3.947 0 40 IHAB Cc1ccc(CN(C(=O)c2cc(=O)c3cc(Cl)ccc3o2)[C@@H]2CCS(=O)(=O)C2)cc1 8916320 FBZAHZOYPRAJER-QGZVFWFLSA-N 445.924 3.584 0 40 IHAB CC(C)(C)NC(=O)NC(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1 9093676 MFEABFBRASXIAD-UHFFFAOYSA-N 445.495 3.929 0 40 IHAB O=C(Cn1c(=O)sc2ccccc21)Nc1nnc(SCC(=O)c2ccccc2)s1 9129275 CIUPUUIEOWHEQG-UHFFFAOYSA-N 442.547 3.528 0 40 IHAB O=C(COC(=O)c1ccccc1I)NC12CC3CC(CC(C3)C1)C2 9140251 OPGZIRQZRRZIEC-UHFFFAOYSA-N 439.293 3.533 0 40 IHAB CCN1C(=O)[C@@]2(c3ccccc31)c1c(oc3ccccc3c1=O)C(=O)N2CCCOC(C)C 9431969 GSVHVXPHHVVTAI-AREMUKBSSA-N 446.503 3.674 0 40 IHAB O=C(CSc1nc2ccccc2nc1SCC(=O)NC1CCCC1)NC1CCCC1 9442292 SGHUYWJFQFJZMW-UHFFFAOYSA-N 444.626 3.932 0 40 IHAB COCCCNC(=O)c1c(NC(=O)c2cc(OC)ccc2OC)sc2c1CCCC2 9613999 BNCZHIOJQQQUEM-UHFFFAOYSA-N 432.542 3.663 0 40 IHAB Cc1csc(SCc2ccccc2C(=O)OCC(=O)NC(=O)NCCC(C)C)n1 9622905 QUEHJAWSFJVKRF-UHFFFAOYSA-N 435.571 3.773 0 40 IHAB CCOCCCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1ccncc1 9640966 CNFKTWYLEGCIOS-UHFFFAOYSA-N 427.530 3.506 0 40 IHAB O=C(Nc1cccc(F)c1)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 9644308 PYHVLTWCABWOKR-UHFFFAOYSA-N 430.423 3.884 0 40 IHAB Cn1cc(C(=O)Nc2ccc(Cl)cc2Cl)c2[nH]c(=O)n(-c3ccc(F)cc3)c(=O)c21 9659659 ANZUDEFRVVTNBE-UHFFFAOYSA-N 447.253 3.716 0 40 IHAB COc1ccc(N(CC(=O)NC2CCCCCC2)S(=O)(=O)c2ccccc2)cc1OC 9678776 CYLYFXYXVOLMKK-UHFFFAOYSA-N 446.569 3.738 0 40 IHAB O=C(CNC(=O)c1sc2ccccc2c1Cl)Nc1cccc(C(=O)NC2CC2)c1 9762595 AZQWDEAUQBJJQK-UHFFFAOYSA-N 427.913 3.815 0 40 IHAB CC(C)c1ccc(-n2nnnc2SCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)cc1 9951949 BEDUVNXWFUNXJK-HNNXBMFYSA-N 436.541 3.642 0 40 IHAB CCc1ccc(N2CCCCn3c2nc2c3c(=O)n(Cc3ccc(C)cc3)c(=O)n2C)cc1 10271949 ALFHVOXHQVNKTK-UHFFFAOYSA-N 443.551 3.748 0 40 IHAB COc1ccc(NC(=O)CSc2nccn(-c3ccc(C)c(C)c3)c2=O)cc1OC 10273705 WMEOVCCSLMFUEJ-UHFFFAOYSA-N 425.510 3.597 0 40 IHAB COc1cc(CCC(=O)OCc2nc(N)c3c(C)c(C)sc3n2)cc(OC)c1OC 10393984 UCNNAFUZVVJNMG-UHFFFAOYSA-N 431.514 3.592 0 40 IHAB CC[C@H]1CO[C@@H](c2cccc(OC)c2)c2c3c(c(-c4ccccc4)n21)c(=O)n(C)c(=O)n3C 12419172 KWTCLVGDXDUYKP-UUOWRZLLSA-N 445.519 3.785 0 40 IHAB CCOc1ccc2oc(C(=O)NC3CCN(CC(=O)Nc4ccccc4)CC3)c(C)c2c1 12614462 PUZWHPOBOIXEON-UHFFFAOYSA-N 435.524 3.973 0 40 IHAB CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N(CC)c2ccc(F)cc2)C1=O 12679173 KWDWKIVMCFSVHR-QHCPKHFHSA-N 429.467 3.955 0 40 IHAB O=C(Nc1ccccc1)C1CCN(C(=O)COc2ccc(Br)cc2F)CC1 12744527 HQEVFOLXVVAEEH-UHFFFAOYSA-N 435.293 3.844 0 40 IHAB O=S(=O)(N[C@H](CN1CCOCC1)c1ccccc1)c1ccc(Cl)cc1C(F)(F)F 12761088 ZYEWWYFNLRXCJL-QGZVFWFLSA-N 448.894 3.711 0 40 IHAB CCc1ccccc1NC(=O)CN1CCN(C(=O)c2cc3cc(F)ccc3s2)CC1 12824791 HDJOBLAOJRRPAX-UHFFFAOYSA-N 425.529 3.999 0 40 IHAB CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)C[C@@H](NC(C)=O)c1ccc(C)cc1 12947121 SFZLDVLAAFBHAD-LJQANCHMSA-N 440.931 3.501 0 40 IHAB Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)NCCCN3CCOCC3)cc12 14171267 CRRTWFHQKYFFJS-UHFFFAOYSA-N 432.977 3.560 0 40 IHAB COc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)c1 15437553 CISAIAAIZJELNS-UHFFFAOYSA-N 442.493 3.766 0 40 IHAB C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)o1 16234069 OYXLBXBTMWZMHT-MQZONAICSA-N 427.932 3.853 0 40 IHAB COc1cc(/C=C\C(=O)N2CCC3(CC2)CC(=O)c2ccccc2O3)cc(OC)c1OC 16689607 WDYVWNCCTJMLGP-HJWRWDBZSA-N 437.492 3.752 0 40 IHAB CC(C)NC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)c2ccccn2)CCO1 19449710 PLEIWBLGLJXRPD-VWLOTQADSA-N 449.576 3.789 0 40 IHAB Cc1nc2ccccn2c1CC(=O)N1CCC(c2ccc(-c3ccc(N)nc3)cn2)CC1 19687831 FBBRVLVENJVRFH-UHFFFAOYSA-N 426.524 3.631 0 40 IHAB COc1cccc(CCN2C(=O)CCc3c(C)nc(CN(C)Cc4ccccc4)nc32)c1 19698622 HYDOOBANFGPNBZ-UHFFFAOYSA-N 430.552 3.948 0 40 IHAB CNc1nc(C2CCN(C)CC2)nc2c1CCN(C(=O)[C@@H](C)Cc1cccc(Cl)c1)C2 19710697 JSQYLDVBVBBFBL-INIZCTEOSA-N 442.007 3.744 0 40 IHAB CCOc1ccccc1N(CC(=O)NCc1ccc(C)cc1)S(=O)(=O)c1ccccc1 20233899 FHBNUCLEMMDLDD-UHFFFAOYSA-N 438.549 3.905 0 40 IHAB CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 20490862 JIZLRELGFYAXDQ-INIZCTEOSA-N 425.510 3.851 0 40 IHAB O=C(CN1C(=O)[C@]2(SCC(=O)N2c2ccccc2)c2ccccc21)Nc1ccccc1F 20573863 VNPVGDGTQDHVBV-XMMPIXPASA-N 447.491 3.744 0 40 IHAB COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCc2ccc(OC)cc2)C12CCCCC2 20725127 RXQYEFLCKIVWRB-QHCPKHFHSA-N 436.552 3.900 0 40 IHAB CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)Nc1cccc(C(F)(F)F)c1 22252748 FEMWZHKBSLPADF-UHFFFAOYSA-N 446.447 3.761 0 40 IHAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 22331063 GYXIMFGQKRDSQS-GOSISDBHSA-N 436.961 3.833 0 40 IHAB CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)Nc2cnc3ccccc3c2)c1 23353474 ZOQSUMWVGIAKBZ-UHFFFAOYSA-N 438.553 3.728 0 40 IHAB COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccc(CN3CCCCC3)cc2)c1 27962598 IWYTXMRXHQPMGS-UHFFFAOYSA-N 436.961 3.591 0 40 IHAB O=C(N[C@@H]1CCCc2ccccc21)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 30865815 UCOJLOLKAIHBSZ-ZJSXRUAMSA-N 448.544 3.837 0 40 IHAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)CSc2nc(C)c(CC(N)=O)s2)cs1 32871389 BERMEMFJEXXAAD-UHFFFAOYSA-N 444.607 3.593 0 40 IHAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)OCc1nc(-c2cccs2)oc1C 32893143 ZRQSMEHINOAOSM-GOSISDBHSA-N 446.550 3.531 0 40 IHAB COc1ccc(NC(=O)CSc2nc3ncccc3c(=O)n2CC(C)C)cc1Cl 32893314 XTBBHQOQCNXUDS-UHFFFAOYSA-N 432.933 3.840 0 40 IHAB CSc1nnc(C)n1NC(=S)NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2)o1 33603505 BMDVQOIOGFYJAA-CSKARUKUSA-N 433.946 3.880 0 40 IHAB CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2OC)=N[C@@H]1c1ccccc1 34688215 DYILDAOYHAUFBP-OAQYLSRUSA-N 439.537 3.905 0 40 IHAB COc1ccc(NC(=O)CSc2nnc(-c3cc(Br)ccc3O)n2C)cc1 38171032 CSICKHZPCVTDBS-UHFFFAOYSA-N 449.330 3.690 0 40 IHAB CCOc1cc([C@H]2CC(=O)N=C3NC=NN32)c(Br)cc1OCc1ccccc1 38303966 DCNWABKHRMPKOQ-MRXNPFEDSA-N 443.301 3.603 0 40 IHAB Cc1cccc(Oc2nccn3c(=O)n(CC(=O)Nc4ccc(F)c(Cl)c4)nc23)c1C 49008533 PMGUULVUJYKWDW-UHFFFAOYSA-N 441.850 3.731 0 40 IHAB COc1cc([C@@H]2CC(=O)N(c3cccc(F)c3)c3c2sc(=O)n3C)cc(OC)c1OC 49547550 AOOUBGFHDDBGOL-HNNXBMFYSA-N 444.484 3.812 0 40 IHAB CC(C)Cc1ccc(C(=O)C2CCN(C(=O)[C@H](Cc3ccccc3)n3cnnn3)CC2)cc1 58004714 BJWJGZXDNRNIFU-DEOSSOPVSA-N 445.567 3.777 0 40 IHAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCO[C@H]2c2ccc(C)cc2)c1 72307246 XDZNMDWLEBRIAO-YADHBBJMSA-N 430.570 3.676 0 40 IHAB CCN1CC[C@]2(CCC1=O)C[C@H](NC(=O)c1ccc3[nH]c(C)nc3c1)c1ccccc1O2 72327840 XBJRYFWVSJHDDF-SQJMNOBHSA-N 432.524 3.896 0 40 IHAB CCOC(=O)C1(Cc2cc(-c3ccc(F)cc3)no2)CCN(C(=O)[C@@]2(C)CCCO2)CC1 72394001 PVAODSJLKWSJHV-HSZRJFAPSA-N 444.503 3.764 0 40 IHAB Cc1ccc(CNC(=O)CCc2nc(=O)c3c(C)c(C)sc3[nH]2)c(OCC2CC2)c1 95410201 GZQOZJXGALVAHW-UHFFFAOYSA-N 425.554 3.948 0 40 IHAB C[C@@H]1CN(CCc2cccc(NC(=O)[C@@H](c3ccccc3F)N3CCOCC3)c2)C[C@H]1C 95464926 OQEVALRCYGSVKT-UMEGOILYSA-N 439.575 3.968 0 40 IHAB COc1ccc(-c2cc(C(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)n[nH]2)cc1OC 95476735 MHCVMTNJOXJJID-UHFFFAOYSA-N 441.915 3.871 0 40 IHAB O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)NCCc1ccccc1 96116027 CIPXGPFMIWYLLR-UHFFFAOYSA-N 448.526 3.933 0 40 IHAB biogenic O=C(Cn1cccc1-c1nc(-c2ccc3c(c2)OCO3)no1)NCCCc1ccccc1 98211502 VDTDFDQLLBXWDA-UHFFFAOYSA-N 430.464 3.683 0 40 IHAB COc1ccc(S(=O)(=O)CCCC(=O)/N=c2/sc3cc(C)cc(C)c3n2C)cc1 101116792 RHSQVUUVRXNIGC-QURGRASLSA-N 432.567 3.547 0 40 IHAB Cc1ccccc1NC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 102086395 YYCNDNTZYYMKCN-RDKSSNIBSA-N 426.516 3.598 0 40 IHAB CC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CC=C4C[C@@H](OP(=O)(O)O)CC[C@]4(C)[C@H]3CC[C@@]21C 118917732 FKBKGSILHZSWAK-HQURQYGRSA-N 426.490 3.993 0 40 IHAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)N(c2ccc(CC)cc2)S(C)(=O)=O)c1C 220285316 FAVGJUYZKLGBHI-MRXNPFEDSA-N 432.542 3.527 0 40 IHAB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1c(C)[nH]c(C)c1I 222771452 BLQYADSGQIHPOM-LSDHHAIUSA-N 426.327 3.624 0 40 IHAB CCc1ccc([C@H](C)NC(=O)CCc2cc(S(=O)(=O)N3CCCC3)ccc2OC)cc1 223322095 QVMMWLHKGMCHDK-SFHVURJKSA-N 444.597 3.852 0 40 IHAB O=C(NCCOc1ccccc1Cl)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 224026577 IITMVCUKPVKVON-UHFFFAOYSA-N 443.352 3.587 0 40 IHAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-n1cnnc1 224425097 FVYZIBONSFVYBK-RTWAWAEBSA-N 433.516 3.719 0 40 IHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCc1ncc(-c2cccc(OC)c2)o1 224850779 ZJDRGHGUGACSAA-UHFFFAOYSA-N 440.452 3.725 0 40 IHAB CC[C@H](NC(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O)c1ccc(OC)c(C)c1 225349463 COHMMNVRBIKZGR-SFHVURJKSA-N 438.977 3.999 0 40 IHAB CC[C@H](NC(=O)[C@@H](CC)N(c1ccccc1F)S(C)(=O)=O)c1ccc(OC)c(C)c1 225368959 OPWFFZAEBKJFLG-RBUKOAKNSA-N 436.549 3.955 0 40 IHAB COc1ccccc1CN1CCC(O)(c2csc(CN(C)Cc3cccnc3)n2)CC1 225425648 DYPWGBAQEWVACG-UHFFFAOYSA-N 438.597 3.662 0 40 IHAB biogenic,in-vitro CCCCOC(=O)c1ccc(NC(=O)c2ccc(Cl)c(N(C)S(C)(=O)=O)c2)cc1 225974652 NYTQZXMKDARWMI-UHFFFAOYSA-N 438.933 3.945 0 40 IHAB CC(=O)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N(C)C(=O)c2cnc3ccccc3c2)CC1 257289621 PZLNJXWYLBNRMZ-OHSXHVKISA-N 445.563 3.684 0 40 IHAB COc1cc(OC)cc(-c2nnc(S/C(=C\c3cccc(OC)c3O)C(=O)O)o2)c1 408633985 QQQQLLGJGVEQQD-SXGWCWSVSA-N 430.438 3.686 0 40 IHAB CCc1cccc(CC)c1NC(=O)COC(=O)CCC(=O)Nc1ccc(NC(C)=O)cc1 408664398 QOXWFCANWUMDHO-UHFFFAOYSA-N 439.512 3.670 0 40 IHAB COc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C(C)C)ccc3OC)CC2)c1 408701000 PUVHFMNJQWMUDC-UHFFFAOYSA-N 446.569 3.867 0 40 IHAB CC(C)Oc1ccccc1CNC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 408707149 HFTWIZYQLISOJR-MRXNPFEDSA-N 431.330 3.906 0 40 IHAB COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OC)c(OC)c1 409064523 CTBDXXUEICLZOM-YBEGLDIGSA-N 446.912 3.505 0 40 IHAB CCc1cccc2c(/C=C3\SC(=O)N(CC(=O)c4ccccc4)C3=O)cn(CC(N)=O)c12 409138636 FVCCJMKBJUTMJE-JAIQZWGSSA-N 447.516 3.608 0 40 IHAB O=C(Nc1ccccc1)Nc1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)s1 530622188 DOYWORDIAUISFE-GOSISDBHSA-N 434.521 3.923 0 40 IHAB Cc1nc(-c2cc3c(s2)CCN(C(=O)C2CCN(C(=O)N4CCCC4)CC2)C3)cs1 539032382 FNWLPNGGBBNPHW-UHFFFAOYSA-N 444.626 3.993 0 40 IHAB Cc1ccc(-c2cc(C(=O)N3CCN(Cc4nc(-c5ccccc5)no4)CC3)n[nH]2)c(C)c1 547989889 HOVGPLSJKMXRMN-UHFFFAOYSA-N 442.523 3.702 0 40 IHAB O=C1C[C@@]2(COCCN(Cc3ccc(-c4csnn4)cc3)C2)CN1c1ccc(F)cc1 585104705 RKQSRURNIKPOGB-QHCPKHFHSA-N 438.528 3.600 0 40 IHAB CCCN1CCN(C(=O)C2CCNCC2)C[C@@H](Cc2ccc(-c3cccc(C)c3)cc2)C1=O 585172731 BDRLWKFOWUYVHF-AREMUKBSSA-N 447.623 3.901 0 40 IHAB CN(CCN1CCCC1=O)C(=O)[C@H](Oc1ccccc1Br)c1ccccc1 602825324 GCEXUSORTQEYEM-HXUWFJFHSA-N 431.330 3.650 0 40 IHAB O=C(c1c[nH]c2c(F)cc(F)cc2c1=O)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@H]34)[C@@H]21 604404605 FQYMRQHBDQFETD-ACNPPRPFSA-N 439.506 3.842 0 40 IHAB biogenic COC(=O)c1cccc(CNC(=O)c2cc(-c3cnn(C)c3)nc3c(C)c(C)ccc23)c1 1533209360 BJDNDTJIILEITG-UHFFFAOYSA-N 428.492 3.969 0 40 IHAB O=C(Nc1ccc(C(=O)N2CCC[C@@]3(CCN3c3ncnc4ccccc34)C2)cc1)C1CC1 2056226029 IBDHPXJUBHXXIG-AREMUKBSSA-N 441.535 3.863 0 40 IHAB CC(=O)N1CCc2nc3sc(C(=O)NCc4ccccc4)c(N)c3c(C(F)(F)F)c2C1 809485 CYYQSUUAKRZPED-UHFFFAOYSA-N 448.470 3.732 0 40 IHAB CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCn1c2ccccc2c2c(C)cc(C)nc21 1404455 XCQVVWGLWOCKBZ-XMMPIXPASA-N 440.547 3.896 0 40 IHAB COc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nncs2)c1OC 2235189 MVLFNOQKGLMAHM-QGZVFWFLSA-N 435.461 3.720 0 40 IHAB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccccc2)cc1 2635153 XNRBWTPXKZMJEO-UHFFFAOYSA-N 439.489 3.560 0 40 IHAB CCOC(=O)c1cc(C(C)C)sc1NC(=O)COC(=O)c1cc(=O)c2ccccc2o1 3315439 WPQHRRBOLQAJDN-UHFFFAOYSA-N 443.477 3.950 0 40 IHAB CC(C)c1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](NC(=S)Nc4ccccc4)CO[C@H]23)cc1 3841745 DOCFIJXSTGSQBT-DOIPELPJSA-N 441.553 3.880 0 40 IHAB biogenic,in-vitro O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)N[C@H]1CCCc2ccccc21 7264109 BTXMKBYIYUSSPC-QHCPKHFHSA-N 426.582 3.988 0 40 IHAB CCCOc1ccc(-c2cccc(NS(=O)(=O)c3cc(OC)ccc3OC)c2)nn1 8610086 GNDGAEFXZWOVDI-UHFFFAOYSA-N 429.498 3.750 0 40 IHAB COc1cc(S(=O)(=O)N[C@H](c2ccc(F)cc2)c2cccs2)ccc1NC(C)=O 8735274 VYQADPOZTHVDQF-HXUWFJFHSA-N 434.514 3.922 0 40 IHAB Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCCC2=CCCCC2)cc1 9094837 LBZCPWBIWWSOMQ-HSZRJFAPSA-N 426.582 3.891 0 40 IHAB CCOc1ncccc1C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N(CC)CC 9121165 PZJBPGSSRJKWLN-UHFFFAOYSA-N 448.589 3.609 0 40 IHAB COC(=O)c1c(NC(=O)C(=O)NCCc2c[nH]c3ccc(Cl)cc23)sc(C)c1C 9184159 BEYZFFIZPKDPJF-UHFFFAOYSA-N 433.917 3.584 0 40 IHAB O=C(CSc1nncn1-c1ccccc1F)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 9205643 UBKLEJDFBPEIDQ-QGZVFWFLSA-N 440.500 3.633 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CSc2nnc(NC(=O)c3ccccc3)s2)cc1 9364456 JJWARXBCVJMYET-UHFFFAOYSA-N 442.522 3.698 0 40 IHAB COc1c(F)c(F)cc2c(=O)c(C(=O)N3CCN(c4ccccc4)CC3)cn(C3CC3)c12 9423949 JSKVKQVGIUDXCX-UHFFFAOYSA-N 439.462 3.586 0 40 IHAB CCn1c(SCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)nc2ccccc21 9636965 JEEDPLHOLMPNNF-UHFFFAOYSA-N 444.582 3.572 0 40 IHAB O=C(N[C@@H](c1ccccc1)C1CC1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 9875291 GBGVQICPAPMGEY-FQEVSTJZSA-N 433.961 3.507 0 40 IHAB CC(=O)NCc1ccc(C(=O)CSc2nnc(Cc3cccs3)n2C2CC2)s1 9883321 FXEADBRULZSFFM-UHFFFAOYSA-N 432.596 3.938 0 40 IHAB Cc1nc(SCC(=O)Nc2ccccc2N2CCCC2=O)n(C[C@H]2CCCO2)c1C 10380732 BWMZEPPMYOQNCO-QGZVFWFLSA-N 428.558 3.537 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)c(C)c1 10447043 NLMSBMKYUKAYHL-KRWDZBQOSA-N 432.542 3.582 0 40 IHAB O=C(OCc1cc(=O)n2cc(Br)ccc2n1)c1ccc2ccccc2c1O 10490983 GUQAVAFCYHPUFV-UHFFFAOYSA-N 425.238 3.673 0 40 IHAB COCCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nc2c(c1=O)S[C@@H](C)C2 11726537 LJMXQRWXBVSIIQ-LBPRGKRZSA-N 439.990 3.619 0 40 IHAB COc1ccc(CCNC(=O)CCc2csc(NC(=O)c3ccccc3)n2)cc1OC 11835023 QWYKRDZMSSRSDY-UHFFFAOYSA-N 439.537 3.704 0 40 IHAB COc1ccc([C@H]2[C@H]3C(=O)N(C(C)C)C(=O)[C@H]3ON2c2ccc(Cl)cc2)c(OC)c1 12017500 XHTNFIDJTKVFET-AABGKKOBSA-N 430.888 3.612 0 40 IHAB Cc1cc(S(=O)(=O)Nc2ccc(C(=O)Nc3nnc(C4CC4)s3)cc2)ccc1F 12745192 VVIOXACMLRVYAR-UHFFFAOYSA-N 432.502 3.916 0 40 IHAB COc1ccc(C)cc1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12926058 VIUJLIHOIXUELU-UHFFFAOYSA-N 428.554 3.532 0 40 IHAB O=C1Nc2ccccc2O[C@H]1CC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 12994410 RHUYPZNXIPZELK-DEOSSOPVSA-N 441.531 3.710 0 40 IHAB O=C(Nc1ccc(I)cc1)[C@H]1CCCN(C(=O)c2cccs2)C1 13012485 DXEYXOXOBKPPEB-LBPRGKRZSA-N 440.306 3.844 0 40 IHAB CCc1nc2sc3c(c2c2nnc(SCC(=O)Nc4nccs4)n12)CCCC3 13499923 DVPMQNAEQYDBGL-UHFFFAOYSA-N 430.584 3.968 0 40 IHAB COc1ccc([C@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccccc2)n3C)c(OC)c1 13567464 OZWMNMUIJJUWKJ-QGZVFWFLSA-N 437.521 3.564 0 40 IHAB COCCNC(=O)COc1ccc2cc(-c3ccc(OC(F)(F)F)cc3)c(=O)oc2c1 13690334 DBOFWFXSRRFXOT-UHFFFAOYSA-N 437.370 3.500 0 40 IHAB COc1ccc([C@H](CNC(=O)COc2cc(Cl)ccc2Cl)N2CCOCC2)cc1 14198350 ISMUFESRSQYMLO-IBGZPJMESA-N 439.339 3.571 0 40 IHAB CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CNC(=O)c1ccc2ccccc2c1 14227404 VAMWUCSSTHRYMO-UHFFFAOYSA-N 443.425 3.686 0 40 IHAB CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)Cn1c(=O)cnc2ccccc21 14242166 PYDXANKFMXNJQW-UHFFFAOYSA-N 447.322 3.581 0 40 IHAB O=C(Oc1ccc(F)cc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Br 14466999 DFASPFGBCGIKFX-UHFFFAOYSA-N 428.279 3.592 0 40 IHAB O=C(Nc1ccc(OC(=O)c2cnc3sccn3c2=O)cc1)c1ccccc1Cl 15515883 LCVATPCVCXZTEK-UHFFFAOYSA-N 425.853 3.881 0 40 IHAB COc1ccc(NC(=O)[C@H]2C[C@H](CCSC)N[C@@]23C(=O)Nc2ccc(C)cc23)cc1 15971862 FAPYWKDYRHITMC-XKDCRVNJSA-N 425.554 3.521 0 40 IHAB O=C(O)c1ccc(COc2ccccc2/C=c2/sc3nc4ccccc4n3c2=O)cc1 16449128 MVHKTFYYMGQNLM-FYJGNVAPSA-N 428.469 3.734 0 40 IHAB COc1cc(/C=c2\sc3nc(-c4ccco4)nn3c2=O)ccc1OCc1ccccc1 16735390 AEXSGAQTAMAGBN-MOSHPQCFSA-N 431.473 3.546 0 40 IHAB CCN1CCN(c2ccc(NC(=S)NC(=O)c3ccc(OC(C)C)cc3)cc2)CC1 17095089 IARWNEQPTTWTKE-UHFFFAOYSA-N 426.586 3.743 0 40 IHAB COc1ccc(C(=O)N2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2ccncc2C)cn1 19239755 IEVZJAPPZJELSW-HXUWFJFHSA-N 432.528 3.684 0 40 IHAB COc1ccccc1C1(NC(=O)Cn2nc(C)n3c(cc4ccsc43)c2=O)CCCC1 19288304 KGWKTDZCATWQGJ-UHFFFAOYSA-N 436.537 3.613 0 40 IHAB O=C(NCc1ccc(F)cc1)c1cc(C2CCN(C(=O)c3ccc(F)cc3)CC2)no1 19334617 YWCQMQAPBNMRQY-UHFFFAOYSA-N 425.435 3.903 0 40 IHAB O=C(CN1CCC(O)(CN2CCCC[C@H]2c2cccnc2)CC1)c1ccc2c(c1)CCC2 19338381 BASPTFNXDNLBNY-VWLOTQADSA-N 433.596 3.807 0 40 IHAB CC(C)N1CCC(N(C)C(=O)c2cc(-c3ccncc3)c(N3CCOCC3)s2)CC1 19447830 CTTSVBBZOXMJOC-UHFFFAOYSA-N 428.602 3.592 0 40 IHAB CCc1n[nH]c(C(=O)N2CCC[C@@](Cc3ccccc3-c3cccs3)(C(N)=O)C2)c1C 19520925 PAXUJXCAKJCXAP-DEOSSOPVSA-N 436.581 3.959 0 40 IHAB COc1ccc(CN2C(=O)Cc3c(C)nc([C@H]4CCCN4C(=O)C4CCCC4)nc32)cc1 19739812 CHMTUDJLCVAVAK-OAQYLSRUSA-N 434.540 3.737 0 40 IHAB Cc1ncc(C(=O)NC2CCCCC2)c([C@@H]2CCCN2C(=O)c2cn3cccc(C)c3n2)n1 19766723 ASBGQIDZJVISBA-NRFANRHFSA-N 446.555 3.781 0 40 IHAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)c1 20482252 SEVBMBLTYRRWPC-QGZVFWFLSA-N 425.510 3.905 0 40 IHAB CCOCCCNS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 20766577 YNZUAJFJHNGFGU-UHFFFAOYSA-N 436.961 3.638 0 40 IHAB CCC(=O)NC(=S)Nc1ccc(N2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1 21577002 AWTVQQFCKZJLIR-UHFFFAOYSA-N 436.537 3.618 0 40 IHAB COc1ccc(N(CC(=O)Nc2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1Cl 22273639 FAVQYAPOAKYLLS-UHFFFAOYSA-N 436.839 3.772 0 40 IHAB CCc1nc2sc([C@H](c3ccco3)N3CCN(c4ccccc4F)CC3)c(O)n2n1 22854874 GGVQSENUTCZBGP-SFHVURJKSA-N 427.505 3.703 0 40 IHAB Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)NCC1(N2CCOCC2)CCCCC1 23737006 RRKCUUAAPVQTLE-UHFFFAOYSA-N 448.970 3.797 0 40 IHAB Cn1c(SC[C@@H](O)COc2ccc(Cl)cc2)nnc1[C@@H]1COc2ccccc2O1 24828451 ASIMMCQQXURFPA-KSSFIOAISA-N 433.917 3.513 0 40 IHAB O=C([C@@H]1CCCN(c2cnccn2)C1)N1CCc2[nH]c3ccc(Br)cc3c2C1 30112499 DIZSOUNQSQCXHM-CQSZACIVSA-N 440.345 3.522 0 40 IHAB Cn1ccnc1[C@H](NC(=O)[C@@H]1CCCN(c2ccc(Cl)nn2)C1)c1ccc(Cl)cc1 32913299 VARDXZIPDLKIBZ-DNVCBOLYSA-N 445.354 3.639 0 40 IHAB Cc1ccc(NC(=O)CSc2cc(C)c3cc(S(=O)(=O)N(C)C)ccc3n2)cc1 33087817 ZELZXEVEZCWFFS-UHFFFAOYSA-N 429.567 3.833 0 40 IHAB COC(=O)c1ccccc1NC(=O)c1cc(C)c2c(c1)-c1ccccc1S(=O)(=O)N2C 33271994 GSQFSERQVBUKAA-UHFFFAOYSA-N 436.489 3.839 0 40 IHAB CCN(CC(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1ccc(Br)cc1 34746099 HRNLZLHOBGVZKA-UHFFFAOYSA-N 425.348 3.715 0 40 IHAB CC[C@@H](C)[C@@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)NCc1ccccn1 36601969 QXRIMOQDJPEFPI-IIBYNOLFSA-N 447.564 3.943 0 40 IHAB O=C(Nc1ccc(CCN2CCOCC2)cc1)C1CCN(c2nc3ccccc3o2)CC1 40157057 ZEVAZPFUYVHKNG-UHFFFAOYSA-N 434.540 3.558 0 40 IHAB CSc1ccccc1CN1CCC(CNS(=O)(=O)c2c(F)cccc2F)CC1 43959568 VIDRIFBAJPZXGW-UHFFFAOYSA-N 426.554 3.877 0 40 IHAB O=C(c1ccc2c(=O)n3c(nc2c1)SCCC3)N1CCN(c2ccc(Cl)cc2)CC1 49403702 ZFZDHMUBCWPKAP-UHFFFAOYSA-N 440.956 3.508 0 40 IHAB COc1ccc([C@H]2[C@H](C(=O)OCc3ccccc3)C(=O)N=C3Nc4ccccc4N32)cc1 54175972 KDZDYQANPKXOJI-VXKWHMMOSA-N 427.460 3.924 0 40 IHAB O=C(Cn1cccc1-c1nc(-c2ccc3c(c2)OCO3)no1)N1CCCc2ccccc21 57487042 GJQJSMJLCNVJIC-UHFFFAOYSA-N 428.448 3.913 0 40 IHAB CCc1cc(=O)n(CC(=O)Nc2ccc(OC)c(OC)c2)c(-c2cccc(Cl)c2)n1 57527697 VTDCGMUFJFQDGT-UHFFFAOYSA-N 427.888 3.782 0 40 IHAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 58194358 REMZBZSSXSWNJP-SJCJKPOMSA-N 431.514 3.603 0 40 IHAB CCOC(=O)CN(CC(F)(F)F)C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 60247172 DQYPKSCIGJJFOF-UHFFFAOYSA-N 438.431 3.563 0 40 IHAB COc1cc(NC(=O)Cn2ccc3ccn(Cc4ccccc4C)c3c2=O)cc(OC)c1 62007354 FXWMOJFGMUFWGJ-UHFFFAOYSA-N 431.492 3.816 0 40 IHAB Cc1cc2nc(SCC(=O)NCc3ccc(F)cc3F)n(CCC(C)C)c(=O)c2[nH]1 67238253 DPUGQEAQMCVEJK-UHFFFAOYSA-N 434.512 3.766 0 40 IHAB NC(=O)[C@@H](NC(=O)c1cc(-c2cccc(Cl)c2)on1)c1cccc(Br)c1 71844411 AWXYRRMSMOZBAT-INIZCTEOSA-N 434.677 3.714 0 40 IHAB COc1cc(CC(=O)N2CCCC[C@H]2c2n[nH]cc2-c2ccncc2)cc(OC)c1OC 72390612 JHTYKWFBSNCWNJ-IBGZPJMESA-N 436.512 3.794 0 40 IHAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1/C=C1\SC(=O)N=C1Nc1cccc(F)c1 72400812 JTYAHEHMLVKXBE-MBBOSUJBSA-N 434.518 3.717 0 40 IHAB CN(C)[C@H](CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1cn(C)c2ccccc12 77171695 WGVMRPOIJFCWOK-LJQANCHMSA-N 441.475 3.658 0 40 IHAB CCOC(=O)C[C@@H](OC(=O)c1cccc(OCC(N)=O)c1)c1cc(Cl)cc(Cl)c1 78989213 HXQMOJBZOPDXFF-QGZVFWFLSA-N 440.279 3.709 0 40 IHAB CN1C[C@@H](C(=O)Nc2ccc3oc(-c4cc(F)ccc4Br)nc3c2)CC1=O 83877390 YSWASCBVRHZFPB-JTQLQIEISA-N 432.249 3.813 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)c2cc3c(=O)n4cc(C)ccc4nc3n2C)cc1 96347370 SDKHAYRHAMDNPV-UHFFFAOYSA-N 432.480 3.704 0 40 IHAB CCCC[C@H](C(=O)O[C@@H](C)C(=O)c1ccc(C)cc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 102139150 DODZLIYLUHLZKM-KTHIQWDBSA-N 449.547 3.721 0 40 IHAB CCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@H](C(=O)C(C)(C)C)N1c3c(ccc4cccnc34)C=C[C@H]21 103458951 SZVXYWDZONQOJK-JPAWQOSXSA-N 431.536 3.835 0 40 IHAB CCC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C(=O)c3ccco3)s2)c(C)c1 211082455 FGZUNIPRBLQQRR-UHFFFAOYSA-N 432.523 3.708 0 40 IHAB COc1ccc(CCNc2ccc(C(=O)O)cc2S(=O)(=O)NC2CCCCC2)cc1 217448538 BJZGOFZKZJTMAR-UHFFFAOYSA-N 432.542 3.659 0 40 IHAB COc1ccc(OC)c(N([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)S(C)(=O)=O)c1 220209586 TYSFJOCFGJMRKV-NSHDSACASA-N 447.340 3.804 0 40 IHAB COc1cccc(CCCNC(=O)[C@H](C)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)c1 220368424 GYROZEVJQWCCFF-INIZCTEOSA-N 438.977 3.561 0 40 IHAB CCc1ccc(N(CCCC(=O)Nc2cccc(C(=O)OC)c2C)S(C)(=O)=O)cc1 222644386 GYMHVTDVJXFLBT-UHFFFAOYSA-N 432.542 3.529 0 40 IHAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccc2c(c1)OCO2 222678840 IJGRQPYNXPWWGI-CYBMUJFWSA-N 437.323 3.818 0 40 IHAB Cc1ccccc1-c1noc(CN(C)S(=O)(=O)Cc2ccc(Br)cc2)n1 223634997 WVKIVHYPBIWXGI-UHFFFAOYSA-N 436.331 3.769 0 40 IHAB CS(=O)(=O)N(CC(=O)NCCc1ccc(F)cc1)c1ccc(Oc2ccccc2)cc1 223692668 BKNUIHDASMBRJV-UHFFFAOYSA-N 442.512 3.743 0 40 IHAB COc1ccc(S(=O)(=O)NC(C)(C)CC(C)(C)C)cc1I 223982088 OOSSTASTSIJVRV-UHFFFAOYSA-N 425.332 3.793 0 40 IHAB Cc1cccc(OCCNC(=O)[C@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c1 224014554 TUDJUIPQBOFSDE-AWEZNQCLSA-N 445.368 3.652 0 40 IHAB CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1c(F)cccc1Cl 225495794 YNVIYSCRGKJNGM-GFCCVEGCSA-N 441.728 3.947 0 40 IHAB CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCC2)c1)c1ccc(OC)c(C)c1 225590505 WSCCGKOVQLOAAP-HXUWFJFHSA-N 430.570 3.978 0 40 IHAB Cc1csc(Nc2cncc(C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)n2)n1 257266266 MCFNRAQFLIDACS-UHFFFAOYSA-N 433.534 3.693 0 40 IHAB COc1ccc2c(c1)OC(C)(C)[C@H]1CC3(CCN(C(=O)CCn4ccnc4)CC3)CO[C@H]21 257342897 ZQNHSNLYAYWQDC-NZQKXSOJSA-N 439.556 3.839 0 40 IHAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1 260796023 OIKHSQPXJOMMIZ-XMMPIXPASA-N 438.549 3.530 0 40 IHAB CC(C)n1nccc1[C@@H]1CN(C(=O)c2ccco2)C[C@]12CCCN(Cc1ccncc1)C2=O 306142371 WXTLGEAKGCKXCI-NBGIEHNGSA-N 447.539 3.501 0 40 IHAB CC(C)Oc1ccc(NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1 408620086 MUTIWVMMDSSRRU-UHFFFAOYSA-N 441.347 3.641 0 40 IHAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccsc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 408980220 FDFGRTFFDCBHBZ-BXBHGGAKSA-N 444.965 3.513 0 40 IHAB COc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccccc3Cl)[C@H]2c2ccc(C)cc2)cc1 409062222 QDBYZKXYRLOGTK-WSBKAMHLSA-O 448.930 3.673 0 40 IHAB Cn1c(CNC(=O)c2ccccc2)nnc1SCC(=O)Nc1ccc2ccccc2c1 409161884 ZUYVTJVCNFFQEW-UHFFFAOYSA-N 431.521 3.629 0 40 IHAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2Cl)c(Cl)c1 409259502 ZVAAKMSKLWDJKK-UHFFFAOYSA-N 431.341 3.945 0 40 IHAB O=C(NC1CCN(Cc2ccc(F)c(F)c2)CC1)N1CCO[C@@]2(CCc3ccccc32)C1 509732578 ZNTIDDUYOOZPAY-VWLOTQADSA-N 441.522 3.813 0 40 IHAB Cc1ccc2c(O)c(C(=O)N3CCC[C@H](NC(=O)c4ccc5ccccc5c4)C3)cnc2n1 531521153 HTHSVOFFKHEHGY-FQEVSTJZSA-N 440.503 3.832 0 40 IHAB O=C([C@@H]1CCCN(c2ncc(Br)cc2C(F)(F)F)C1)N1CCSCC1 1888867069 KJHNHULIIFSBLE-LLVKDONJSA-N 438.313 3.655 0 40 IHAB CCOC(=O)c1sc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1C 3236095 QPFPJBINJIXULH-UHFFFAOYSA-N 436.555 3.660 0 40 IHAB O=C(CN(c1cccc2cccnc12)S(=O)(=O)c1ccccc1)NCCc1ccccc1 3353942 FGLACGWZLKUEAZ-UHFFFAOYSA-N 445.544 3.789 0 40 IHAB CCc1ccc([C@@H]2[C@H](C(=O)OCC(C)C)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OCC(C)C)cc1 4615374 FORVXNHYHDOKPJ-ILSIFQBBSA-N 432.557 3.687 0 40 IHAB CC(C)(C)c1ccc(OCC(=O)N(CCc2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 4749902 LHNIVPDNQDEMJW-NRFANRHFSA-N 429.582 3.621 0 40 IHAB COc1ccc(-n2ncc3c(N4CCc5cc(OC)c(OC)cc5[C@H]4C)ncnc32)cc1 8766592 OISPENVJAJUABY-OAHLLOKOSA-N 431.496 3.965 0 40 IHAB CCOc1c(Cl)cc(C(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)cc1Cl 8869254 NWADRIYZTZCAHC-ZDUSSCGKSA-N 432.325 3.815 0 40 IHAB CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc21 8959422 GJPVFCPEMHDNHH-UHFFFAOYSA-N 428.485 3.736 0 40 IHAB CSCC[C@H](NC(=O)COc1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 9397787 UDKOXHGDZKSKHJ-KRWDZBQOSA-N 442.459 3.841 0 40 IHAB O=C(Nc1c2c(nn1-c1ccc(F)cc1)C[S@](=O)C2)c1ccc(Br)cc1 9413553 XFTPBRZUOZNCDC-SANMLTNESA-N 434.290 3.789 0 40 IHAB CC(=O)Nc1ccc(NC(=O)CSc2ncnc3c2cnn3Cc2ccccc2)cc1 9478341 RYVWYTXJSBTBBN-UHFFFAOYSA-N 432.509 3.564 0 40 IHAB Cc1cc(SCC(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)nc2ccccc12 9491736 GAKDCYXPEPWIBK-IBGZPJMESA-N 440.590 3.851 0 40 IHAB COc1ccc(-c2ccc3nnc(SCC(=O)N4CCCc5ccccc54)n3n2)cc1 9829054 QPASDSPISFPGDS-UHFFFAOYSA-N 431.521 3.871 0 40 IHAB O=C(CSc1ncnc2c1cnn2-c1ccccc1)c1ccc(N2CCCC2=O)cc1 10026880 JHHOCKROYGIKSV-UHFFFAOYSA-N 429.505 3.917 0 40 IHAB COc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)O[C@H](C)C(=O)N2CCCC2)c1 10069292 JGAOARONWAWOCG-MRXNPFEDSA-N 437.471 3.855 0 40 IHAB COc1cc(-c2ccc(SCC(=O)NCc3ccc(F)cc3)nn2)cc(OC)c1OC 10220845 SKPYFTDHZSXFDA-UHFFFAOYSA-N 443.500 3.717 0 40 IHAB COc1ccc(NC(=O)COC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c(OC)c1 10728864 DVQRVLLFGJOCHZ-LLVKDONJSA-N 428.268 3.960 0 40 IHAB O=C(NCc1ccccc1OC(F)(F)F)c1cccc(S(=O)(=O)N2CCCCC2)c1 10995577 UVETZOOGFDHDHN-UHFFFAOYSA-N 442.459 3.690 0 40 IHAB COc1ccccc1NC(=O)c1nc(S(=O)(=O)Cc2ccccc2C)ncc1Cl 12063028 QGLDINZWQSVBFV-UHFFFAOYSA-N 431.901 3.673 0 40 IHAB Cc1c(C(=O)NC[C@@H]2CCCO2)nnn1-c1ccc2noc(-c3ccc(Cl)cc3)c2c1 12274498 VSGUSOYWWUKFFV-KRWDZBQOSA-N 437.887 3.946 0 40 IHAB Cc1ccc(-c2nnn(CC(=O)N(c3ccccc3C)[C@H](C)C(=O)NCCC(C)C)n2)cc1 12479226 WCGLLTFKOIVGSZ-HXUWFJFHSA-N 448.571 3.541 0 40 IHAB COc1cc(OC)cc([C@H](NC(=O)Cc2nc(-c3ccccc3)oc2C)c2nccn2C)c1 12578296 ZYLCSXQKTKTUHZ-QHCPKHFHSA-N 446.507 3.849 0 40 IHAB COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2csnn2)c2ccccc2)cc1 12636400 AOXMNRJRIAISKJ-OAQYLSRUSA-N 436.537 3.994 0 40 IHAB Cc1nn(C)c(C)c1C(=O)C(=O)OCc1csc(-c2cccc(Br)c2)n1 12741316 XEEVWDYSEYVLII-UHFFFAOYSA-N 434.315 3.849 0 40 IHAB Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3C[C@H](C)O[C@@H](C)C3)cccc2c1=O 12796719 SZDBGCALJFGHGH-ROUUACIJSA-N 434.536 3.998 0 40 IHAB COc1cc(Cl)c(C)cc1NC(=O)CN1CCC(C(=O)NCc2ccccc2)CC1 12809890 LDCNHEBGDOBELS-UHFFFAOYSA-N 429.948 3.624 0 40 IHAB O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)c1ccccc1SC(F)F 12824757 ZGWSRFBPECBIOL-UHFFFAOYSA-N 428.482 3.744 0 40 IHAB COc1cc2c(cc1OC)CN(C(=O)COc1ccc3c(C)c(C)c(=O)oc3c1C)CC2 12899526 NUNVYRDIJOXBMD-UHFFFAOYSA-N 437.492 3.699 0 40 IHAB biogenic COc1cccc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3Cc2ccccc2)c1 12912017 MANGFIVDAWSZKI-AREMUKBSSA-N 441.487 3.813 0 40 IHAB Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)c(C)n1C(C)C 12913962 NCJZNSOMVYBPMF-UHFFFAOYSA-N 441.956 3.625 0 40 IHAB CCc1cc2oc(=O)cc(COC(=O)[C@H]3CC(=O)N(Cc4ccco4)C3)c2cc1Cl 13038075 AHERWJVNOWWADU-AWEZNQCLSA-N 429.856 3.694 0 40 IHAB O=C(CN(Cc1ccco1)S(=O)(=O)/C=C/c1ccccc1)N1CCc2ccccc2C1 13164992 MWJWCEXFTJYYQU-DTQAZKPQSA-N 436.533 3.667 0 40 IHAB Fc1ccccc1N1CCN([C@@H](c2ccccc2)c2nnnn2CCc2ccccc2)CC1 13505441 RLMXACLWFKZHPN-VWLOTQADSA-N 442.542 3.967 0 40 IHAB O=C(NCCOc1ccc2nnc(-c3ccc(F)cc3)n2n1)c1ccccc1C(F)(F)F 13524618 UBFAVAHCAKTDKM-UHFFFAOYSA-N 445.376 3.758 0 40 IHAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2c(C)cc(C)cc2C)C1 13580874 QLCBFOCCOQNVCF-QGZVFWFLSA-N 434.533 3.799 0 40 IHAB Cc1c(CC(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)c(=O)oc2cc(O)ccc12 13628110 SGLKNPNFKDNYJC-UHFFFAOYSA-N 427.884 3.513 0 40 IHAB CCOc1ccc(CNC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1 13672433 KDLVTIQYLVDIKH-UHFFFAOYSA-N 438.549 3.982 0 40 IHAB COc1ccccc1CCNCc1ccc(Oc2nnnn2-c2ccccc2)c(OC)c1 13719416 BAGYUMFMKCVMMD-UHFFFAOYSA-N 431.496 3.804 0 40 IHAB Cc1ccc(N2C[C@H](c3nnc(NC(=O)c4ccc5c(c4)OCO5)s3)CC2=O)cc1C 13942536 LEGUKXCAHFSGIB-OAHLLOKOSA-N 436.493 3.656 0 40 IHAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 14526267 YKCGPHSQQDJPMY-MRXNPFEDSA-N 430.487 3.914 0 40 IHAB COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)cc1OC 15012390 XLRAHCJHGNVPJS-UHFFFAOYSA-N 438.933 3.784 0 40 IHAB COc1ccccc1[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 15471391 RPSGCOGPYADPJI-OAHLLOKOSA-N 436.961 3.627 0 40 IHAB O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCCc1c[nH]c2ccccc12 15616336 RLVGQRQVKJIBAL-UHFFFAOYSA-N 439.581 3.634 0 40 IHAB Cc1cccc(C)c1NC(=O)C(=O)NC[C@H](c1cccnc1)N1CCc2ccccc2C1 15882591 AAXSZEGPMGHIOX-HSZRJFAPSA-N 428.536 3.553 0 40 IHAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCCN(C)c3ccccc3)c2)cc1 16278884 KUTDSOANHNRYAR-UHFFFAOYSA-N 437.565 3.686 0 40 IHAB CCOC(=O)c1[nH]c(C)c(C(=O)O[C@@H](C(=O)Nc2cc(C)on2)c2ccccc2)c1C 16766074 CBHOREWBFIMUSF-LJQANCHMSA-N 425.441 3.641 0 40 IHAB COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(N2CCN(C)CC2)c(Cl)c1 17098290 ULGBAUYKENHJQM-UHFFFAOYSA-N 432.977 3.536 0 40 IHAB COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)c(OC)c1 18033897 JHOANXJVAKMHAI-ZRBLBEILSA-N 430.460 3.755 0 40 IHAB Cc1nc2ccc(NC(=O)c3cccc(S(=O)(=O)N4C[C@H](C)O[C@H](C)C4)c3)cc2s1 18043745 OTLXSFRIGGQCOT-OKILXGFUSA-N 445.566 3.655 0 40 IHAB O=C(c1cc(C2CC2)n[nH]1)N1CCC(c2nc(NC3CC3)ncc2-c2ccncc2)CC1 19405746 HPMCWRVPELZDKV-UHFFFAOYSA-N 429.528 3.733 0 40 IHAB CCOC(=O)C1=C(CN2CC=C(c3ccccc3)CC2)NC(=O)N[C@H]1c1ccc(OC)cc1 19530131 VIZIUWLHMXGTMF-DEOSSOPVSA-N 447.535 3.656 0 40 IHAB CNc1cc([C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3C)C2)nc(-c2cccnc2)n1 19571522 VYBKGNVOOUKCGA-KRWDZBQOSA-N 441.532 3.596 0 40 IHAB COc1ccccc1CNC(=O)c1cc([C@H]2CCN(Cc3ccc4ncccc4c3)C2)n[nH]1 19707691 AMXIWBCYAMGPOH-NRFANRHFSA-N 441.535 3.886 0 40 IHAB CNc1nc(C2CCN(C(=O)c3cc4ccc(Cl)cc4[nH]3)CC2)nc2c1CCN(C)C2 19710833 KTGXYUSNYTTYOI-UHFFFAOYSA-N 438.963 3.661 0 40 IHAB Cc1cccc(CCNC(=O)c2ccc(C3CCN(C(=O)c4ccccn4)CC3)nc2)c1 19752812 SVOFGNHWHFBNLM-UHFFFAOYSA-N 428.536 3.777 0 40 IHAB CCc1nn2c(ncc3c(=O)n(-c4nc(SC)n[nH]4)ccc32)c1-c1cccc(Cl)c1 19962610 ZQDJNSXWIICGBQ-UHFFFAOYSA-N 437.916 3.756 0 40 IHAB COc1ccc(C(=O)NC(=S)Nc2cc(C(=O)O)cc(Cl)c2OC)cc1Cl 20152912 YUHIWMMPELERTM-UHFFFAOYSA-N 429.281 3.836 0 40 IHAB Cc1cc(NC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)ccc1Br 20458708 DOLOLPIEYAPDNQ-UHFFFAOYSA-N 437.359 3.935 0 40 IHAB COc1ccc(NC(=O)Cn2cc(C(=O)c3ccc(C)cc3)c(=O)c3ccc(C)nc32)cc1 20579570 SHCWEPLQLFSKKA-UHFFFAOYSA-N 441.487 3.892 0 40 IHAB CC(C)C(=O)Nc1ccc(C(=O)OCc2cc(=O)n3c4c(sc3n2)CCCC4)cc1 21633512 JWRHYWKDPIFWRG-UHFFFAOYSA-N 425.510 3.586 0 40 IHAB CCc1ccccc1N(CC(=O)N[C@@H]1CC(C)(C)Oc2ccc(C)cc21)S(C)(=O)=O 22330010 BRUAKADZQVXMIT-LJQANCHMSA-N 430.570 3.742 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3ccc(F)cc3)CC2)cc1 22540140 RIYVZGVIKYPEQT-INIZCTEOSA-N 434.533 3.503 0 40 IHAB O=C(COc1ccccc1)N(CCCN1CCOCC1)c1nc2c(F)cc(F)cc2s1 22997787 GBWRSGVOFGFFCP-UHFFFAOYSA-N 447.507 3.709 0 40 IHAB O=C(Cn1cnc2ccc(Cl)cc2c1=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 24195242 WFQRMASGXJQIGI-IBGZPJMESA-N 439.899 3.575 0 40 IHAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2cc(C(C)C)nc3c2c(C)nn3C)c1 25049584 RVRHJCJJCLQCBS-UHFFFAOYSA-N 443.573 3.683 0 40 IHAB CCOC(=O)c1cccc(NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c1 26916126 LGXDJZJDSCEQQJ-UHFFFAOYSA-N 430.507 3.978 0 40 IHAB CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)COC(=O)C1CCC1 28426937 GBOZAYUFFYEOQR-UHFFFAOYSA-N 447.509 3.891 0 40 IHAB CN(C)Cc1ccc(-c2ccccc2CNC(=O)[C@@H]2CCCN(c3cnccn3)C2)cc1 29787033 RHIVFKADEQWQBM-HSZRJFAPSA-N 429.568 3.738 0 40 IHAB Cc1ccc(OCc2nc(CC(=O)N3CCC[C@@H]3c3nnc4ccccn34)cs2)cc1 32841800 NWRMZFIQZMAVMJ-LJQANCHMSA-N 433.537 3.979 0 40 IHAB Cc1ccn2c(=O)cc(COc3cccc(NC(=O)COc4ccc(F)cc4)c3)nc2c1 33268622 BWIDHJYAQSKJNS-UHFFFAOYSA-N 433.439 3.739 0 40 IHAB Cc1ccc(-c2cc(C(=O)NCc3ccc(F)cc3)nn2[C@@H]2CCS(=O)(=O)C2)cc1C 33325699 MDWNCYBMEBIWEW-HXUWFJFHSA-N 441.528 3.596 0 40 IHAB CCn1c(SCC(=O)NC2CCCCC2)nnc1[C@@H](C)NC(=O)c1ccccc1C 33728230 PKTKMLRMHNADOR-MRXNPFEDSA-N 429.590 3.638 0 40 IHAB Cc1cc(C(=O)Nc2cccc(Cn3cc(Br)cn3)c2)c2cnn(C)c2n1 36616421 YZQYIDHGAGAEKE-UHFFFAOYSA-N 425.290 3.536 0 40 IHAB O=S(=O)(NCCCCN1CCO[C@@H](c2ccccc2)C1)c1ccc2c(c1)CCCC2 36700401 CFWVWUJLGXDRCI-XMMPIXPASA-N 428.598 3.697 0 40 IHAB COc1ccc(CNC(=O)c2nnn(-c3ccccc3Cl)c2-c2cccnc2)c(OC)c1 38487679 XSFSAUVNXFWCQV-UHFFFAOYSA-N 449.898 3.930 0 40 IHAB CCOC(=O)C[C@H](c1ccccc1)C1CCN(CC(=O)NC(=O)NC2CCCCC2)CC1 40139331 GNNHFBGLUKPGIE-JOCHJYFZSA-N 443.588 3.594 0 40 IHAB O=C1C[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2c(nc(Nc3ccccc3)[nH]c2=O)N1 40399215 IIDOOTBPWOQTHI-AWEZNQCLSA-N 444.278 3.885 0 40 IHAB Cc1cc2nc(COC(=O)c3cccc(NC(=O)/C=C/c4ccccc4)c3C)cc(=O)n2o1 41089630 WOQCEUKUAFIOJB-VAWYXSNFSA-N 443.459 3.913 0 40 IHAB CCCSc1ncc(Br)c(C(=O)NCC(=O)Nc2ccc(C)c(C)c2)n1 46086897 PLBMQLOAWBAGEG-UHFFFAOYSA-N 437.363 3.727 0 40 IHAB C[C@@H]1CN(Cc2ccccc2CNC(=O)Cc2csc(-c3ccco3)n2)C[C@@H](C)O1 48248691 YOFKETGIYYHSAN-IAGOWNOFSA-N 425.554 3.871 0 40 IHAB Cc1ccc(S(=O)(=O)c2c(C)cc(C)n(CC(=O)Nc3ccc(F)c(C)c3)c2=O)cc1 49421556 WRPQDHYTWWJFSG-UHFFFAOYSA-N 442.512 3.693 0 40 IHAB COC(=O)c1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1CC(C)C 51364627 XTSXLEQNUCZMHJ-UHFFFAOYSA-N 425.510 3.570 0 40 IHAB O=C(COc1ccc(Cl)cc1)NC[C@H](c1ccco1)N1CCN(c2ccccc2)CC1 56945188 GLWYKFIBVPVDOM-JOCHJYFZSA-N 439.943 3.992 0 40 IHAB O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21)Nc1cccc(C(F)(F)F)c1 57428714 DKFPYCCMQSENCD-UHFFFAOYSA-N 445.422 3.871 0 40 IHAB COc1ccc(NC(=O)Cn2nc(-c3cccc(Br)c3)ccc2=O)cc1Cl 57486123 ZGMXZMDQTSSTKR-UHFFFAOYSA-N 448.704 3.974 0 40 IHAB Cc1ccc(C)c([C@@H]2NC(=O)N(CC(=O)Nc3c(C)cccc3Cl)C3=C2C(=O)OC3)c1 67288889 LIOREHPBBTVRDP-NRFANRHFSA-N 439.899 3.781 0 40 IHAB COc1ccc(-n2c(=O)[nH]c3cc(-c4nc(-c5ccc(F)cc5)no4)ccc3c2=O)cc1 67341507 DGTNVUXNWWJVPL-UHFFFAOYSA-N 430.395 3.544 0 40 IHAB CCCCN(CCCC)c1ncc(S(=O)(=O)c2ccc(OC)c(Cl)c2)c(N)n1 71771632 LJUHKDLVGACSKG-UHFFFAOYSA-N 426.970 3.960 0 40 IHAB CN(C)S(=O)(=O)N1CCC[C@H](c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1 72349325 UAEVEQMCYFJBCB-INIZCTEOSA-N 427.492 3.677 0 40 IHAB COCCOc1cccc(CN2CCN(C)C(=O)[C@H]2Cc2ccc(-c3ccncc3)cc2)c1 72351841 TVSUOPNKRLCXDN-AREMUKBSSA-N 445.563 3.659 0 40 IHAB COc1ccccc1C[C@@H](C)Nc1cc(Cn2c(C)nc3ccccc3c2=O)nc(C)n1 72373229 SWSNWLMIOUIMBE-MRXNPFEDSA-N 429.524 3.903 0 40 IHAB Cc1cc(F)ccc1-n1cc(O)c(C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)n1 79045846 WBRCOJPVNKWOFZ-UHFFFAOYSA-N 434.924 3.698 0 40 IHAB Cc1ccc(-n2ncc(C(=O)NCCCCN3C[C@@H](C)O[C@H](C)C3)c2C(F)(F)F)cc1 79050780 BEPVHIQTVICKTK-IAGOWNOFSA-N 438.494 3.819 0 40 IHAB O=S(=O)(c1ccc(Cl)s1)N1CCC(Oc2ncccc2Br)CC1 96097011 ZAPGOVJGFILDAL-UHFFFAOYSA-N 437.768 3.791 0 40 IHAB O=C(NC[C@H]1O[C@H](Cc2cc(-c3ccc(F)cc3)on2)CC[C@@H]1O)c1ccccc1F 96268970 BFZKLBWRCNTLOB-RBDMOPTHSA-N 428.435 3.501 0 40 IHAB biogenic,in-vitro C[C@@H](OC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O)C(=O)c1ccccc1 101072844 VDRFPLUIQRTPGT-BOIIQDFRSA-N 441.483 3.672 0 40 IHAB CCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1[C@H](C)NC(=O)c1ccccc1 101164404 ZHWLCUBFVFPZIY-HNNXBMFYSA-N 439.541 3.528 0 40 IHAB COc1cccc(NC(=O)C(=O)[C@@H](C(=O)c2ccccc2F)[C@@H]2OC(=O)c3ccccc32)c1 102922846 XVKZYGZINCKONL-NFBKMPQASA-N 447.418 3.753 0 40 IHAB CC1CCN(S(=O)(=O)c2cccc(C(=O)NCc3ccc(OC(C)C)cc3)c2)CC1 113957124 VJKQUXRMFNRBRX-UHFFFAOYSA-N 430.570 3.824 0 40 IHAB CC(C)Oc1ccc(CCCNC(=O)CCCN(C)S(=O)(=O)c2ccccc2)cc1 219723569 DCNHGOQBKZOMNB-UHFFFAOYSA-N 432.586 3.624 0 40 IHAB COc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)N(c1cccc(C)c1)S(C)(=O)=O)CC(C)(C)O2 220150148 YGLNKTMJEQYDMU-OXQOHEQNSA-N 446.569 3.577 0 40 IHAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(OC)c1)C(=O)COc1ccc(F)cc1 222493418 XQAQPJRFXHEQDX-VGSWGCGISA-N 430.520 3.935 0 40 IHAB COc1cccc(N(C)C(=O)CCc2ccc(S(=O)(=O)NC3CCCCC3)cc2)c1 222853694 MJOVPASZQZELDV-UHFFFAOYSA-N 430.570 3.902 0 40 IHAB Cc1ccccc1N(CCCC(=O)NCc1cccc(C(F)(F)F)c1)S(C)(=O)=O 223075118 KFEBQBZQCRQFKA-UHFFFAOYSA-N 428.476 3.876 0 40 IHAB COc1ccc(C)cc1NC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)o1 223405041 MFFGOOKKXTVKMR-UHFFFAOYSA-N 428.510 3.978 0 40 IHAB COc1ccc(SCCCNC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)cc1 224403085 YMLQQLKCKNOYDB-UHFFFAOYSA-N 448.610 3.846 0 40 IHAB CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN1C(=O)c2cccc3cccc1c23 225056480 OQLSOPXTUGMNRN-IBGZPJMESA-N 443.547 3.786 0 40 IHAB CCC(=O)N1CCc2cc(S(=O)(=O)NCCOc3ccc(C(C)(C)C)cc3)ccc21 225184015 XYPPTOKZCHMQQR-UHFFFAOYSA-N 430.570 3.641 0 40 IHAB COc1ccc(Cl)cc1NS(=O)(=O)c1nnc(NC(=O)c2cccc(C)c2)s1 225563782 COZRVMBGBCKSHA-UHFFFAOYSA-N 438.918 3.562 0 40 IHAB Cc1nc2c(c(N3CCC(NC(=O)c4cc(-c5ccc(F)cc5)nn4C)CC3)n1)CCCC2 225738829 PSRNINWTSSIVKZ-UHFFFAOYSA-N 448.546 3.602 0 40 IHAB Cn1cnnc1SCC(=O)Nc1ccc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1 245237169 FWDQATLUPVKPCY-HHXXYDBFSA-N 427.574 3.635 0 40 IHAB CCOc1ccc(S(=O)(=O)NC[C@](O)(c2ccsc2)c2cccs2)cc1F 253405823 TUVAFMLXYODXHR-SFHVURJKSA-N 427.544 3.562 0 40 IHAB CC1(C)c2sc(O)nc2S[C@@H]2[C@H]3C[C@@H]([C@@H]4C(=O)N(c5ccc(F)cc5)C(=O)[C@@H]43)[C@H]21 253483691 AKMVJLNEUPAJMZ-PKCACUDHSA-N 430.526 3.811 0 40 IHAB CC(=O)N1CCC(Cc2cccc(F)c2)(C(=O)N2CCC[C@H](c3cncc(C)n3)C2)CC1 257232267 GKBSHBIVZUGUIS-NRFANRHFSA-N 438.547 3.502 0 40 IHAB O=C(c1cccc(Br)c1)N1CC[C@@H](c2ccccc2F)S(=O)(=O)CC1 390826058 ANQYVGXDAPDQHG-KRWDZBQOSA-N 426.307 3.590 0 40 IHAB Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)c2)cc1C 408666884 TTXBTMOLERTZOK-ZCVTWQBDSA-N 446.503 3.634 0 40 IHAB C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408705232 ZZCHTROSVNLDHQ-NSHDSACASA-N 445.324 3.558 0 40 IHAB COC(=O)c1ccccc1NC(=O)COC(=O)c1cc(-c2ccc(C=O)o2)ccc1Cl 409182799 ONFAADVIPJWPFL-UHFFFAOYSA-N 441.823 3.995 0 40 IHAB Cc1ccc(CNC(=O)COc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)cc1 409323704 PIXKJNMTONOVOD-UHFFFAOYSA-N 438.549 3.511 0 40 IHAB CCn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1cc(C)cc(C)c1 409350629 RWBNFGJBUFRABV-UHFFFAOYSA-N 441.532 3.715 0 40 IHAB COc1ccc(C(=O)Cn2nnc(-c3ccccc3NC(=O)c3ccccc3F)n2)cc1 1372708 YTOOXNUEFZESQO-UHFFFAOYSA-N 431.427 3.623 0 40 IHAB COCCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@@H]1c1ccc(O)c(OC)c1 2340681 ISQGOHVTSZVMGX-IBGZPJMESA-N 429.856 3.661 0 40 IHAB Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NCc4cnn(C)c4C)cc3N2)cc1 2753648 KKBHQYXTBAZPTB-WMZOPIPTSA-N 432.450 3.824 0 40 IHAB O=C(Cn1nnc(C(=O)c2ccccc2)c1C(=O)c1ccccc1)Nc1cccc(F)c1 2787610 PVGNJUVODBKOFB-UHFFFAOYSA-N 428.423 3.518 0 40 IHAB Cc1ccc(N2C(=O)[C@@H]3[C@@H]4O[C@@H]([C@H]5ON=C(c6ccc(Cl)cc6Cl)[C@H]54)[C@@H]3C2=O)cc1 8671380 KTGCQUHDEWMLFZ-AEVHBADWSA-N 443.286 3.608 0 40 IHAB CN(Cc1nc2ccccc2s1)C(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 8894173 WIVZNAWZFUDGIS-UHFFFAOYSA-N 441.534 3.640 0 40 IHAB Cc1cc(O)c2c(C)c(CC(=O)N3CCN(c4nsc5ccccc45)CC3)c(=O)oc2c1 8991210 FCZHQGYGJPVEGL-UHFFFAOYSA-N 449.532 3.616 0 40 IHAB O=C(C[C@]1(O)C(=O)N(Cc2ccc(F)cc2)c2ccccc21)c1ccc2c(c1)OCCO2 9128802 VWIZDZVENXYUEH-RUZDIDTESA-N 433.435 3.604 0 40 IHAB O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1 9199170 OFAZOIWOCCQIEI-CQSZACIVSA-N 425.872 3.580 0 40 IHAB Cc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)o2)c(C)c1 9275005 VTYCUSQDXVKUAG-UHFFFAOYSA-N 440.525 3.780 0 40 IHAB COc1cccc(N2C[C@H](C(=O)Nc3nnc(SCc4ccccc4)s3)CC2=O)c1 9517947 LEMSRYJEAQEVPL-OAHLLOKOSA-N 440.550 3.831 0 40 IHAB CCCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(OC(F)F)cc2)C1=O 9561908 LSRIWGHWJOMXTI-JOCHJYFZSA-N 431.439 3.864 0 40 IHAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)Cc1csc(-c2cccc(F)c2)n1 9633781 JJUQJECUZYEAAH-UHFFFAOYSA-N 429.492 3.796 0 40 IHAB CS(=O)(=O)c1ccc(-c2nnc(NC(=O)c3ccc(Cc4ccccc4)cc3)o2)cc1 9707672 DTEGKSBXOGDTLI-UHFFFAOYSA-N 433.489 3.983 0 40 IHAB CCCn1c(C)cc(C(=O)CSc2nc3cc(S(N)(=O)=O)ccc3n2CC)c1C 9728596 IWRUJDTWCSAQDT-UHFFFAOYSA-N 434.587 3.507 0 40 IHAB C[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)c1ccco1 9777817 DDAVLUWRVNZVBN-OAHLLOKOSA-N 442.493 3.733 0 40 IHAB Cc1ccc(Sc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)cc2)cc1 9969571 NZASZKBYUNECQP-UHFFFAOYSA-N 426.929 3.595 0 40 IHAB CCOc1ccc([C@H]2CCCN2C(=O)c2ccc(OC)c(S(=O)(=O)NC3CC3)c2)cc1 10024074 KCLYNJXJICHQOH-HXUWFJFHSA-N 444.553 3.512 0 40 IHAB O=C(C(c1ccccc1)c1ccccc1)N1CCC(NS(=O)(=O)c2ccccc2)CC1 10375287 MRSKYSYDQLBMDM-UHFFFAOYSA-N 434.561 3.788 0 40 IHAB Cc1nc2ccc(C(=O)NC[C@H](c3cccnc3)S(=O)(=O)c3ccccc3)cc2nc1C 11907140 BHEVXBXBXZRKKH-HSZRJFAPSA-N 446.532 3.587 0 40 IHAB COc1ccc(-c2ccc(=O)n(C3CCN(C(=O)Cc4cccs4)CC3)n2)cc1F 12184036 QHYPGPKTNLRMHZ-UHFFFAOYSA-N 427.501 3.526 0 40 IHAB C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 12494227 GHCZAUBVMUEKKP-LKLRYFJDSA-N 449.632 3.594 0 40 IHAB Cc1cc(C2=NN=C(NCCCN3CCOCC3)SC2)c(C)n1[C@H](C)c1ccccc1 12745955 FTWKEQMHWWMHRG-LJQANCHMSA-N 439.629 3.833 0 40 IHAB C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)N[C@@H](c2ccccc2)c2cccs2)C1=O 12785886 SJNOFRGPJPHHLT-DHLKQENFSA-N 447.560 3.897 0 40 IHAB Cc1ccc(OCc2nc(C)c(C(=O)Nc3ccc(C)c(S(N)(=O)=O)c3)s2)cc1 12801358 PLYBTWXVAVVEHX-UHFFFAOYSA-N 431.539 3.547 0 40 IHAB Cc1cccc(-n2c(SCC(=O)N(C)C)nc3sc4c(c3c2=O)CCCS4)c1 12806211 PSWDQRGDHDRKEB-UHFFFAOYSA-N 431.608 3.974 0 40 IHAB Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2)cc1I 13005164 PNFQEFMSJXJQRE-KRWDZBQOSA-N 434.277 3.843 0 40 IHAB CCCCn1c(=O)c(CCC(=O)OCC(=O)Nc2ccc(C)c(F)c2)nc2ccccc21 13037876 WZRSQLROEFPIMJ-UHFFFAOYSA-N 439.487 3.759 0 40 IHAB CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2nc3ccccc3s2)cc1 13038249 YJGCTEABSHXFDN-UHFFFAOYSA-N 431.539 3.538 0 40 IHAB CCc1ccc(NC(=O)COC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1 13148860 QVMQCTFINNEUPM-UHFFFAOYSA-N 444.553 3.528 0 40 IHAB CCn1c(SCC(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)nnc1C1CC1 13164137 YJWTWCWUAOICJL-FQEVSTJZSA-N 430.574 3.942 0 40 IHAB CC[C@@H](C(=O)NCCSCc1ccc(C)cc1)N(c1ccc(C)cc1)S(C)(=O)=O 13713243 OFTVZUZNKUHQTR-NRFANRHFSA-N 434.627 3.898 0 40 IHAB CCOC(=O)[C@](NC(=O)c1ccc(F)cc1)(OCc1ccc(OC)cc1)C(F)(F)F 13756447 APNPMTLOGWNFHF-IBGZPJMESA-N 429.366 3.603 0 40 IHAB CCn1c(COc2ccc(OC)cc2)nnc1SCC(=O)N[C@H](C)c1ccccc1 13845367 TZGGNZPNAJVQDB-MRXNPFEDSA-N 426.542 3.855 0 40 IHAB C[C@@H](C(=O)N1CCC(Cc2ccccc2)CC1)N(c1ccc(Cl)cc1)S(C)(=O)=O 14154569 YFXGSSRJVAWGGX-KRWDZBQOSA-N 434.989 3.976 0 40 IHAB COc1ccccc1[C@H](CNC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3)N(C)C 14183713 BGRHAYHIGQMXJA-QFIPXVFZSA-N 448.567 3.554 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2cc3cc(C)ccc3nc2C)cc1 14249218 IZBOSPWBCLDLPS-UHFFFAOYSA-N 425.554 3.812 0 40 IHAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC3CCN(C(C)C)CC3)ccc2C)cc1 14939292 HNRGRLLRBPMFLR-UHFFFAOYSA-N 429.586 3.707 0 40 IHAB CCc1c(C)nc(SCC(=O)Nc2sc3c(c2C(=O)OC)CCCCCC3)[nH]c1=O 15022373 QNVWPOYPLNFURZ-UHFFFAOYSA-N 449.598 3.879 0 40 IHAB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)N1CCc2ccccc2C1 15228933 MGGXFFAWIZZLIQ-UHFFFAOYSA-N 438.524 3.602 0 40 IHAB COc1ccc(NC(=O)c2ccc(S(=O)(=O)c3ccc(Br)cc3)nc2)cc1 16843920 ZIZXZTJZSPCNRH-UHFFFAOYSA-N 447.310 3.938 0 40 IHAB CCOc1ccc(NC(=O)CSc2nnc3n2CCN3c2ccc(OCC)cc2)cc1 17307903 PWMKYFDSMXDABI-UHFFFAOYSA-N 439.541 3.958 0 40 IHAB COc1ccc(OC)c(C(=O)NCCn2ncc(-c3ccc(F)cc3)c2-c2nccn2C)c1 19291776 JHUAUCJRDKOANN-UHFFFAOYSA-N 449.486 3.537 0 40 IHAB CC1(C)[C@]2(C)CC[C@@]1(C(=O)N1CCC(c3cc(C(F)F)n4ncnc4n3)CC1)CC2=O 19460515 SWVQCKZZQXZQNN-YADHBBJMSA-N 431.487 3.553 0 40 IHAB C[C@@H]1Cc2cc([C@H](O)CN3CC=C(c4ccc(Cl)cc4)CC3)ccc2N1S(C)(=O)=O 19497849 PYPHQEWBAGWPNV-WAIKUNEKSA-N 447.000 3.873 0 40 IHAB CCCN1CCN(C(=O)c2ccn(C)n2)C[C@H](Cc2cccc(-c3ccccc3F)c2)C1=O 19503037 PYWAQVLKXMYKOU-NRFANRHFSA-N 448.542 3.780 0 40 IHAB COc1ccc(CN2CCN([C@@H](C)C(=O)Nc3ccc(C(C)C)cc3)CC2)cc1OC 19671321 ZLOYMIPWIQCMSA-IBGZPJMESA-N 425.573 3.972 0 40 IHAB COc1ccccc1CN1C(=O)Cc2c(C)nc([C@H]3CCCN(C(=O)CC(C)C)C3)nc21 19744549 VYBRMYZFJPTFNS-IBGZPJMESA-N 436.556 3.635 0 40 IHAB CC(C)n1c(CN2CCO[C@H](c3cc(C(N)=O)c4ccccc4n3)C2)nc2ccccc21 19759611 IXFZOSOSMMUFEK-QHCPKHFHSA-N 429.524 3.838 0 40 IHAB CCOC(=O)[C@@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@H]1c1ccccc1Cl 19818457 ZHBWZUNVRAOTQU-PMACEKPBSA-N 441.915 3.842 0 40 IHAB COc1ccc(NC(=S)NC(=O)c2cccc(C)c2OC)cc1-c1ccc(CO)o1 20153396 KAUGSQRLZDNPEN-UHFFFAOYSA-N 426.494 3.891 0 40 IHAB O=S(=O)(N[C@H]1CCCC[C@@H]1N1CCN(C2CCCCC2)CC1)c1ccc(Cl)cc1 20441720 KSXFVFBADVPBKS-VXKWHMMOSA-N 440.053 3.880 0 40 IHAB CCn1cc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c(=O)c2cc(OC)ccc21 22235923 PBYQSHPQRVZAIR-UHFFFAOYSA-N 439.943 3.954 0 40 IHAB CC1=C[C@@H](CNC(=O)c2cnccn2)[C@H](C(C)C)C[C@H]1CC(=O)N(C)Cc1cccnc1 30881877 DDTICKDNZRCSTR-FKBYEOEOSA-N 435.572 3.505 0 40 IHAB biogenic,in-vitro CSCC[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccco2)C1)c1nc2ccccc2[nH]1 32900966 IRQFNSAFRUTZOZ-CRAIPNDOSA-N 426.542 3.619 0 40 IHAB Cc1ccc(S(=O)(=O)NC[C@H](c2ccccc2)S(=O)(=O)c2cccs2)c(C)c1 33326406 IWLMCHJJOACKNP-LJQANCHMSA-N 435.592 3.858 0 40 IHAB Cc1sc(NC(=O)CN(Cc2cccs2)C(=O)c2cccc(F)c2)c(C(N)=O)c1C 35312278 VSVWOKANUJGAHV-UHFFFAOYSA-N 445.541 3.946 0 40 IHAB O=C(C1=C(c2ccccc2)S(=O)(=O)CCO1)N(Cc1ccc(F)cc1)c1ccccn1 35673182 DJQMZISHCLKBQV-UHFFFAOYSA-N 438.480 3.568 0 40 IHAB Cc1nn(C(F)F)c(C)c1S(=O)(=O)N1CCN(Cc2cccc3ccccc23)CC1 36614969 OOPXMRVGBWZKKO-UHFFFAOYSA-N 434.512 3.555 0 40 IHAB CC(C)(C)c1cc(NC(=O)CCN2C(=O)COc3ccccc32)n(Cc2ccccc2)n1 40052614 OYJYBRUSXHWWSJ-UHFFFAOYSA-N 432.524 3.983 0 40 IHAB COc1cccc(NC(=O)COC(=O)c2csc(-c3cccc(OC)c3OC)n2)c1 40057530 XOBQFEKKWGFWRB-UHFFFAOYSA-N 428.466 3.631 0 40 IHAB Cc1cccc(N2CCN(CCNC(=O)c3cnn(-c4ccccc4)c3C3CC3)CC2)c1 40087032 VZTRPEFOJDRDGJ-UHFFFAOYSA-N 429.568 3.610 0 40 IHAB C[C@H](C(=O)NCc1ccccc1OC(F)(F)F)n1nc(-c2ccc(F)cc2)ccc1=O 49025917 LZKHOELUQGWQML-CYBMUJFWSA-N 435.377 3.825 0 40 IHAB CCc1ccc([C@@H]2NC(=O)N(CC(=O)Nc3cccc(Cl)c3C)C3=C2C(=O)OC3)cc1 49403083 SFFDEVYZTBNWDN-NRFANRHFSA-N 439.899 3.727 0 40 IHAB COc1cc2c(cc1OC)C(C[C@H]1CN(C(=O)C3CCCC3)CC[C@H]1CC(=O)O)=NCC2 49590405 PJNDMLSKABACTH-HKUYNNGSSA-N 442.556 3.569 0 40 IHAB biogenic,in-vitro COc1ccc([C@@H](C)NC(=O)Cn2cnc3c(cnn3-c3ccc(C(C)C)cc3)c2=O)cc1 57486535 WVPKDRWHJKSDAD-QGZVFWFLSA-N 445.523 3.592 0 40 IHAB O=C(Nc1cc(Cl)ccc1N1CCSCC1)c1cccc(N2C(=O)CCC2=O)c1 65562999 XBMFHSOGLGGRIS-UHFFFAOYSA-N 429.929 3.799 0 40 IHAB O=C(Nc1ccnc(Sc2ccccn2)c1)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 70010162 QYEDNVIPLCNBSM-CYBMUJFWSA-N 426.448 3.898 0 40 IHAB Cc1cccc(-c2cccc(C[C@]3(C(=O)NC(C)C)CCCN(C(=O)c4nc[nH]n4)C3)c2)c1 72391528 YWXDEXSCOQBWPT-AREMUKBSSA-N 445.567 3.770 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N[C@H]1CCC[C@@H](OC(=O)Nc2ccc(F)cc2)C1 77200410 UONXDFATPMSJPD-ZWKOTPCHSA-N 436.505 3.981 0 40 IHAB CN(C[C@H]1COc2ccccc2O1)C(=O)Nc1cc2c(cc1Br)OCCO2 95350286 ZPNVMSGTQVRBOI-LBPRGKRZSA-N 435.274 3.524 0 40 IHAB COC(=O)Cn1/c(=N/C(=O)c2ccc(Br)s2)sc2cc(F)ccc21 100876435 XKKVOKPMVOPATD-SDXDJHTJSA-N 429.292 3.580 0 40 IHAB O=C(O)c1ccccc1[C@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2ON1c1ccccc1 102740773 VARXRXVMXBPTGE-HKBOAZHASA-N 432.407 3.575 0 40 IHAB CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)ccc1O[C@H](C)CC 107771193 UTEVYQZJQHSWQI-RQNDZEIBSA-N 442.468 3.735 0 40 IHAB C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 220430725 MGEAHSFSXNDTLR-SNVBAGLBSA-N 431.297 3.515 0 40 IHAB C[C@H]1Cc2ccccc2N1C(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl 222823882 CVMYPAJQKMMKHD-INIZCTEOSA-N 448.972 3.871 0 40 IHAB Cc1ccc(Cl)cc1N([C@H](C)C(=O)NCCOc1cccc(C)c1C)S(C)(=O)=O 223926821 SOQADBRQVGWTSC-QGZVFWFLSA-N 438.977 3.615 0 40 IHAB Cc1ccc(C)c(N(CCCC(=O)NCCOc2cccc(C)c2C)S(C)(=O)=O)c1 223932154 ZLUSNKFSZWSWCD-UHFFFAOYSA-N 432.586 3.662 0 40 IHAB Cc1cccc(OCCNC(=O)c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)c1C 223952467 GPZQQSBDUJGLLA-UHFFFAOYSA-N 430.570 3.533 0 40 IHAB CCn1c(=O)sc2cc(S(=O)(=O)NCc3cccc(CN4CCCCC4)c3)ccc21 224705249 RPUXWGLGYNFUTL-UHFFFAOYSA-N 445.610 3.547 0 40 IHAB CCc1ccc(N([C@@H](C)C(=O)N[C@@H](CC)c2ccc(OC)c(C)c2)S(C)(=O)=O)cc1 225200584 FAWRPBVGZNRFMI-UWJYYQICSA-N 432.586 3.988 0 40 IHAB O=C(NCCN1Cc2cc(F)ccc2OCC1=O)c1ccc2noc(-c3ccccc3)c2c1 238817806 BWZIWKNTAUVHJD-UHFFFAOYSA-N 445.450 3.785 0 40 IHAB COc1ccc(/C=C/C(=O)N2CC[C@@H](Oc3ccc(Br)cn3)C2)cc1OC 253475203 PWWAXVBTCYYALG-KZJSRBBCSA-N 433.302 3.554 0 40 IHAB CNC(=O)[C@@]1(c2ccccn2)CCCN(C(=O)C2(c3ccc(F)cc3Cl)CCCC2)C1 257304489 SLXNFYDGFPTICA-DEOSSOPVSA-N 443.950 3.992 0 40 IHAB Cc1nnc(Nc2cccc([C@H]3CN(C(=O)COc4c(C)cccc4C)CCO3)n2)s1 257334938 YHXWTCSLRBREQQ-GOSISDBHSA-N 439.541 3.581 0 40 IHAB CSc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)cc1 260808188 GOIMUQLCLRHNHM-IBGZPJMESA-N 448.610 3.756 0 40 IHAB O=C1N(Cc2ccsc2)CCO[C@@]12CN(Cc1ccsc1)C[C@@H]2c1cccnc1 306128467 HAZXZJMYRAXVRQ-IFMALSPDSA-N 425.579 3.602 0 40 IHAB COc1ccc(Cl)cc1NC(=O)CCC(=O)OCC(=O)Nc1ccccc1Cl 408647027 RCNKMVMEMACMQQ-UHFFFAOYSA-N 425.268 3.903 0 40 IHAB Cc1ccc([C@@H]2[C@@H](NC(=O)c3ccc(Cl)cc3)C(=O)N/[N+]2=C\c2ccccc2C)cc1 409059980 TZTVWZGUORCLKY-VNGKGULCSA-O 432.931 3.973 0 40 IHAB Cc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(F)cc3)[C@H]2c2ccc(Cl)cc2)cc1 409062164 OVSWFDDZCNFDSA-GWLUTCJNSA-O 436.894 3.804 0 40 IHAB CN1CCN(C(=S)c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)CC1 409240992 WAPIOVQWUSLSIH-UHFFFAOYSA-N 438.380 3.934 0 40 IHAB COc1ccccc1NC(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 409380460 DVMSGERHFGWFRJ-UHFFFAOYSA-N 440.521 3.679 0 40 IHAB O=C(NCc1nc2ccc(F)cc2[nH]1)[C@@H](c1ccc(Br)cc1)N1CCCC1 505304270 MUMUGVWPYATUQV-LJQANCHMSA-N 431.309 3.918 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC3(CC2)OCC[C@@H]3CCOCc2ccccn2)cc1 575402748 GLZGOZQUWVUSJX-FQEVSTJZSA-N 430.570 3.557 0 40 IHAB O=C(c1cccc(OC(F)(F)F)c1)N1CC[C@@H](c2ccccc2F)S(=O)(=O)CC1 585394930 GKLYJZYXTJPDQH-KRWDZBQOSA-N 431.407 3.726 0 40 IHAB C[C@]1(C(=O)N2CCO[C@@]3(C2)C(=O)N(Cc2cccnc2)C[C@H]3c2ccccc2)CC=CCC1 2055793542 RLGHYGFPCGKSTK-MSLLRLGPSA-N 445.563 3.552 0 40 IHAB Cc1ccc2c(c1)cc(CN(C(=S)NC[C@H]1CCCO1)C1CCCCC1)c1nnnn12 1346565 PALNRACKUORWKA-HXUWFJFHSA-N 438.601 3.774 0 40 IHAB COc1cc(-c2noc([C@H]3CCCN(C(=O)c4cccc(F)c4)C3)n2)cc(OC)c1OC 1364128 NLPCADNRJQISRK-HNNXBMFYSA-N 441.459 3.921 0 40 IHAB CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(O)cc2)cc1 2270608 RRXDTGQDTGZVML-UHFFFAOYSA-N 449.492 3.838 0 40 IHAB COC(=O)c1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1 2377508 HMZLCJODXXJYBF-UWJYYQICSA-N 433.460 3.612 0 40 IHAB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)COC(=O)c1c(C)noc1C 2664845 WBJASCILNHMLGJ-UHFFFAOYSA-N 428.466 3.992 0 40 IHAB COCCCn1c(SCC(=O)Nc2ccc(OC)cc2)nc2cc(Cl)ccc2c1=O 3273087 ZYNMAOVZPWAUCN-UHFFFAOYSA-N 447.944 3.826 0 40 IHAB COc1cc(/C=C/C(=O)OCC(=O)Nc2ccccc2OC(F)F)cc(OC)c1OC 3291688 GISFIDAIIHZSFT-CMDGGOBGSA-N 437.395 3.509 0 40 IHAB CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3Cl)cc2)CC1 4109454 MKLJIJLPDZKQKS-UHFFFAOYSA-N 444.988 3.916 0 40 IHAB CN1C(=O)[C@@](O)(CC(=O)c2cccc(-n3cccc3)c2)c2cc(Br)ccc21 4123022 LISSBIZWFBMFSJ-OAQYLSRUSA-N 425.282 3.677 0 40 IHAB Cc1cc(C)cc(NC(=O)c2ccc3c(O)c(S(=O)(=O)c4ccccc4)c(=O)[nH]c3c2)c1 8589528 LPJGIQRTFCDZEQ-UHFFFAOYSA-N 448.500 3.936 0 40 IHAB O=C(Cn1nnc2ccccc21)N(C/C=C/c1ccccc1)c1ccc2c(c1)OCCO2 8705426 VMWRWFOPGZQYEB-RMKNXTFCSA-N 426.476 3.949 0 40 IHAB COc1ccccc1N(Cc1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCC2)c1 9048563 VUCUUQFZMJOLMK-UHFFFAOYSA-N 436.533 3.937 0 40 IHAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 9227684 NFWGBIVSMDILLB-UHFFFAOYSA-N 428.485 3.664 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc3ccccc3c2)c1 9373622 PQDRWRFSFFFPMS-UHFFFAOYSA-N 448.566 3.680 0 40 IHAB COc1ccccc1[C@@H]1CC(c2cccc(NS(C)(=O)=O)c2)=NN1C(=O)c1ccco1 9382237 UWTZXGKBAWLFAY-IBGZPJMESA-N 439.493 3.651 0 40 IHAB CCOc1ccc(NC(=O)c2cc3c(=O)n4cccc(C)c4nc3n2CCCOC)cc1 9447793 ZTFQKHAYXVVEAY-UHFFFAOYSA-N 434.496 3.645 0 40 IHAB CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)Nc2c(C)cc(C)cc2Cl)C1=O 9465953 ARPKNJRKFMPEMM-JOCHJYFZSA-N 429.904 3.761 0 40 IHAB O=C(COC(=O)c1ccc(-c2ccc(O)cc2)cc1)Nc1ccccc1C(=O)NC1CC1 9594652 YJXVWJKUHCSKAJ-UHFFFAOYSA-N 430.460 3.747 0 40 IHAB COc1cccc(N2C[C@@H](C(=O)Nc3nnc(C[C@@H](C)c4ccccc4)s3)CC2=O)c1 9614752 JWMIIUALQLFRAG-WBVHZDCISA-N 436.537 3.885 0 40 IHAB CC(C)(C)NC(=O)NC(=O)CSc1nnc(COc2ccccc2Cl)n1C1CC1 9722768 WDOYZPZGJDRHKF-UHFFFAOYSA-N 437.953 3.562 0 40 IHAB Cc1ccc(OCCSC(Nc2ccc(F)cc2)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 9973636 DFOBGLIHZIOCAF-UHFFFAOYSA-N 443.500 3.620 0 40 IHAB CCOc1cccc2cc(C(=O)NCCOc3ccc(-c4ccc(C)cc4)nn3)c(=O)oc12 11024054 FWKVJTNSLJAJGI-UHFFFAOYSA-N 445.475 3.766 0 40 IHAB O=C(CSc1ncnc2c1nnn2Cc1ccccc1F)Nc1cccc(Cl)c1 11758518 PTOUPCGHEIPZAA-UHFFFAOYSA-N 428.880 3.793 0 40 IHAB Cc1c(C(=O)N2CCC(c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C(C)C)N4)CC2)cnn1C 12182604 IGGFHPNJNYNXSS-FUHWJXTLSA-N 438.498 3.888 0 40 IHAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2Cn1c(=S)n(C(F)F)c2ccccc21 12523423 AAEKYKBCTAUFFH-UHFFFAOYSA-N 438.525 3.838 0 40 IHAB CCOC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@H]1c1ccc(F)cc1 12554894 AAWRYDGRTQFZBA-FQEVSTJZSA-N 428.485 3.870 0 40 IHAB C[C@H]1CCc2c(sc3ncn4c(SCC(=O)NCc5cccs5)nnc4c23)C1 12833779 JVLYLWDZYPQPAT-NSHDSACASA-N 429.596 3.934 0 40 IHAB COC(=O)C1=C(CN2CCC[C@H](C(F)(F)F)C2)N(C2CC2)C(=O)N[C@@H]1c1ccccc1 12919081 APGKZKXGMIMOIY-HNAYVOBHSA-N 437.462 3.617 0 40 IHAB COc1ccc(-c2csc(NC(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)n2)cc1OC 12972952 ZJZOHEMEAYQNMS-QGZVFWFLSA-N 437.521 3.815 0 40 IHAB Cc1noc(C)c1COc1ccc(C(=O)N[C@H](CN2CCOCC2)c2ccccc2)cc1 13117450 NXKRIVPWMGQIMI-XMMPIXPASA-N 435.524 3.674 0 40 IHAB COc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)Nc3ccccc3)CC2=O)cc1 13843392 HBXROXJGSAIWTE-QGZVFWFLSA-N 429.476 3.939 0 40 IHAB Cc1nn(CC(=O)N2CCCc3ccccc32)c(=O)c2c1cnn2-c1cccc(Cl)c1 13970621 KLRVFEYIFKUCLB-UHFFFAOYSA-N 433.899 3.523 0 40 IHAB Cc1sc2ncnc(N3CCC(C(=O)O[C@@H](C)C(=O)N4CCC(C)CC4)CC3)c2c1C 14247815 SBWSUIMLOOSTBC-INIZCTEOSA-N 444.601 3.715 0 40 IHAB O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1cccc(C(F)(F)F)c1 16399314 MUEXXTINCITBMO-UHFFFAOYSA-N 428.432 3.507 0 40 IHAB Fc1cc2c(c(CSc3nnnn3C[C@H]3CCCO3)c1)O[C@H](c1ccccc1)OC2 16411178 PBYGPPFSJVVACV-UYAOXDASSA-N 428.489 3.891 0 40 IHAB O=C1CC2(CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)CC2)Oc2ccccc21 16689626 VKBBMZSDEWUHGX-MRXNPFEDSA-N 438.911 3.720 0 40 IHAB Cc1ccsc1CN(C(=O)COc1ccc(Cl)cc1Cl)[C@H]1CCS(=O)(=O)C1 16742500 XINMQEIHTTXSMM-AWEZNQCLSA-N 448.393 3.958 0 40 IHAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(-c2ccccc2)nc1C 18183109 RHRIWLZNSITDKR-UHFFFAOYSA-N 425.510 3.568 0 40 IHAB O=C(C[C@@H]1CCCCO1)N1CCCC[C@H]1c1nc(O)c2c(n1)CN(C1CCCCC1)CC2 19014869 WXPNYVUTICKDGZ-UGKGYDQZSA-N 442.604 3.886 0 40 IHAB Cc1ccc2c(c1)C(=O)CC1(CCN(CC(=O)Nc3nc4c(s3)CCCC4)CC1)O2 19218323 KPXPCCWLAVGHHG-UHFFFAOYSA-N 425.554 3.769 0 40 IHAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC[C@@H](c2nnc(-c3ccccn3)o2)C1 19403308 NUQSLBHUMFBCFE-CYBMUJFWSA-N 438.431 3.719 0 40 IHAB CO[C@H]1CCC[C@@H](C(=O)NC2CCN(c3ncc(-c4ccncc4)c(C(C)C)n3)CC2)C1 19451583 JOQXFSZBTWCUII-CTNGQTDRSA-N 437.588 3.952 0 40 IHAB CCn1cc(C(=O)NCCn2nc(-c3cccnc3)cc2-c2cccc(OC)c2)c(C)n1 19524468 VIRHYLWEPLMYRW-UHFFFAOYSA-N 430.512 3.576 0 40 IHAB CCN1CCN(C(=O)c2sc(C)nc2C)C[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O 19527374 NACSUVJZZDUFPL-JOCHJYFZSA-N 448.592 3.985 0 40 IHAB Cc1cccc(CC(=O)N(C)Cc2nc(C)c3c(n2)N(Cc2ccc(F)cc2)C(=O)CC3)c1 19698579 FOCAXCWTDYCOAW-UHFFFAOYSA-N 446.526 3.913 0 40 IHAB O=C(Nc1ccc(F)cc1F)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 19860910 RUBUGLOHVGUXRO-CQSZACIVSA-N 428.888 3.799 0 40 IHAB O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1 19862879 XRQBCNMCTUPUDE-AWEZNQCLSA-N 428.888 3.799 0 40 IHAB CS(=O)(=O)N(Cc1ccccc1)c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 22231075 SYSIKHONTSYLGW-UHFFFAOYSA-N 428.485 3.809 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N(C)Cc1nc2ccccc2s1 24314942 FOPUKJNRXLILSL-UHFFFAOYSA-N 429.567 3.661 0 40 IHAB CC(=O)c1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)c1 24765612 OEOMAKUSASCUHS-IBGZPJMESA-N 430.460 3.577 0 40 IHAB CCc1nn2c(=O)cc(CNc3ccccc3C(=O)N[C@H](C)c3ccccc3)nc2s1 25716476 VRFBJYFITVODDZ-OAHLLOKOSA-N 433.537 3.817 0 40 IHAB CSc1cccc(N2C[C@@H](C(=O)NCc3ccc(NC(=O)C(C)C)cc3)CC2=O)c1 32899064 ABWUZMVJYSZTQV-KRWDZBQOSA-N 425.554 3.672 0 40 IHAB C[C@@H](OC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)c1nc(-c2cccnc2)no1 32901668 JEFHCAJZXTWUHG-MEBBXXQBSA-N 430.873 3.892 0 40 IHAB O=C(c1cnc2ccccc2c1S(=O)(=O)c1ccc(Cl)cc1)N1CCSCC1 33249273 SWSAKFRSBGODRY-UHFFFAOYSA-N 432.954 3.910 0 40 IHAB CCn1c(SCC(=O)Nc2nc(C)cs2)nnc1[C@H](C)NC(=O)c1ccc(C)cc1 33525519 LXNVZWCVEGRNQL-AWEZNQCLSA-N 444.586 3.593 0 40 IHAB NC(=O)[C@H]1CCCCN1Cc1cc(Br)cc2c1O[C@@H](c1ccccc1)OC2 34868094 OWILTCXTEWYWNM-NQIIRXRSSA-N 431.330 3.897 0 40 IHAB Cc1ccc(NC(=O)Cn2nc3c(Oc4ccccc4)nc4ccccc4n3c2=O)cc1F 35425122 VHNXGWYSFDHROT-UHFFFAOYSA-N 443.438 3.923 0 40 IHAB O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2CCCN12 35876967 FLDJJCYEBBLJOE-MKXGPGLRSA-N 428.410 3.541 0 40 IHAB CCOC(=O)Cc1csc(NC(=O)[C@H](C)Oc2ccc(C)cc2Br)n1 40141717 SXHGIPNKHWHPLT-NSHDSACASA-N 427.320 3.726 0 40 IHAB O=C(c1cc(Cl)ccc1Cl)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCO3)CC1 42382346 NGZCDNBKHAPCHL-CVEARBPZSA-N 447.318 3.810 0 40 IHAB COc1ccccc1N1CCN(c2cc(SCC(=O)Nc3ccccc3)ncn2)CC1 49006759 LTQACWJBNABTRK-UHFFFAOYSA-N 435.553 3.543 0 40 IHAB S=c1n(CN2CCN(c3ncccn3)CC2)nc(-c2ccccc2)n1-c1ccccc1 57683621 QTCLYRZHSBAAMF-UHFFFAOYSA-N 429.553 3.640 0 40 IHAB COc1ccc(C(=O)NC(=S)Nc2c(Cl)cc(C(=O)O)cc2Cl)cc1OC 59843171 MVMNQNZNHZSQTJ-UHFFFAOYSA-N 429.281 3.836 0 40 IHAB CN(c1ccsc1C(=O)Nc1ccc(C(N)=O)cc1)S(=O)(=O)c1ccc(Cl)cc1 67245537 WALMAUBATUAYHY-UHFFFAOYSA-N 449.941 3.578 0 40 IHAB COc1ccc(CN2C(=O)COC[C@@H]2[C@H](O)c2ccc(NC(=O)CC(C)(C)C)cc2)cc1 67896335 JSJCBPWIKKKAOL-ZJSXRUAMSA-N 440.540 3.531 0 40 IHAB biogenic,in-vitro CCN(CC)[C@@H](C(=O)NCc1ccc(-n2cccn2)nc1)c1cccc(C(F)(F)F)c1 72283607 WTSLDTUVRNRSLD-HXUWFJFHSA-N 431.462 3.985 0 40 IHAB CCN(CC1CCN(C(=O)c2ccc(OC)c(OC)c2OC)CC1)C(=O)OC(C)(C)C 72305506 RPPMJYFXVFQNSE-UHFFFAOYSA-N 436.549 3.822 0 40 IHAB Cc1cc2c(cc1CN1CCc3onc(Nc4cc(F)cc(F)c4)c3C1)n(C)c(=O)n2C 72352758 XOQFPBHHLPOMKN-UHFFFAOYSA-N 439.466 3.754 0 40 IHAB COc1ccc(CC(=O)N2CCC[C@@H]2c2cc(C(F)(F)F)c(CNC(C)=O)cn2)cc1 72356148 USRYFHNCOVXJLV-HXUWFJFHSA-N 435.446 3.651 0 40 IHAB COc1ccccc1CCC(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(CC(C)C)C(=O)C2 72371904 ULECEWVPZYSQHN-FQEVSTJZSA-N 436.556 3.635 0 40 IHAB COc1ccc(NC2=NC(=O)S/C2=C\c2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)cc1 72401393 UKFIQJZYCMSLID-YQYFLZKSSA-N 446.554 3.586 0 40 IHAB COc1cc(CN2CCN(C(=O)c3ccccc3)CC2)ccc1OCc1c(C)noc1C 95430316 JPEDIQGCWQERHS-UHFFFAOYSA-N 435.524 3.837 0 40 IHAB COc1cc(OC)c(C(=O)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)cc1OC 96008120 JBUFSQLIDDPYTG-IBGZPJMESA-N 425.403 3.945 0 40 IHAB COc1ccc(-n2ccc(-c3cc(C(=O)N4CC[C@@H](N(C)C)C4)c4ccccn34)n2)cc1 96154803 CFEBKOGDCOHRTH-LJQANCHMSA-N 429.524 3.577 0 40 IHAB COCc1nnc(NC(=O)c2cnn(-c3cc(F)ccc3Cl)c2-n2cccc2)s1 96301030 LTBDEALBSNACOV-UHFFFAOYSA-N 432.868 3.706 0 40 IHAB C[C@H](c1ccccc1)N1C[C@H](C(=O)Nc2ccc(I)cc2)CC1=O 96589745 XVORCDLWUKIMGR-UKRRQHHQSA-N 434.277 3.839 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1 216355681 ALLLATQUFXBITK-AWEZNQCLSA-N 438.933 3.539 0 40 IHAB CSc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCc3cccc(C)c3)CC2)cc1 219637766 GCYZMDOQHZOATA-UHFFFAOYSA-N 446.638 3.867 0 40 IHAB CC[C@@H](C(=O)Nc1ccc(Cl)c(C(=O)OC)c1)N(c1cccc(C)c1)S(C)(=O)=O 220510613 VJOGXARAUCDPEP-SFHVURJKSA-N 438.933 3.618 0 40 IHAB CCc1ccc(N(CCCC(=O)NCCCc2ccccc2OC)S(C)(=O)=O)cc1 222646804 LEKLPHDMFVCIQC-UHFFFAOYSA-N 432.586 3.553 0 40 IHAB CC1(C)C[C@@H](NC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)c2ccccc2O1 222660191 FAGMZORUBKFBQA-GOSISDBHSA-N 434.533 3.791 0 40 IHAB COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)N(C)c3ccccc3)cc2)c1 222737248 XQYGZEJTCFBZFF-UHFFFAOYSA-N 426.494 3.538 0 40 IHAB COc1ccc(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NCCC(C)C)cc1OC 222886504 IZUBXLIRNMIAFD-SFHVURJKSA-N 444.547 3.965 0 40 IHAB CC[C@@H](NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1)c1ccc(OC)c(C)c1 223167213 ABOCJUXNXUSVCV-MRXNPFEDSA-N 446.554 3.537 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)N[C@H](C)c1ccccc1OC 223229029 PUURAGJLXJKJEH-QGZVFWFLSA-N 446.569 3.615 0 40 IHAB CC(=O)c1cccc(NC(=O)c2ccc(CN(C)S(=O)(=O)c3ccc(C)cc3)o2)c1 223405487 NTNCKEGLLRSJJO-UHFFFAOYSA-N 426.494 3.864 0 40 IHAB COc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3F)c2)cc1OC 224152967 BTRJRRPCWZXPCF-UHFFFAOYSA-N 444.484 3.920 0 40 IHAB CC[C@H](C(=O)Nc1nnc(SC(C)C)s1)N(c1ccc(C)cc1)S(C)(=O)=O 224344091 GONMDUDGXHOWBF-CQSZACIVSA-N 428.605 3.530 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)NCCC1=CCCCC1 224940064 ITQCLFOYMLUMGQ-UHFFFAOYSA-N 434.602 3.809 0 40 IHAB Cc1ccc(-c2nnc(NC(=O)[C@H](C)N(c3ccc(C)c(C)c3)S(C)(=O)=O)s2)cc1 225256984 SMLOTCCBDCOFGK-INIZCTEOSA-N 444.582 3.924 0 40 IHAB CCCn1c(=O)sc2cc(S(=O)(=O)Nc3nnc(SC(C)C)s3)ccc21 225736509 LVPGKUWBYHIGSE-UHFFFAOYSA-N 430.602 3.626 0 40 IHAB COc1cccc(-c2ccc3nc([C@@H]4CCCN(C(=O)c5ccncc5)C4)nn3c2)c1OC 306128510 HCLNMSQDROIKHZ-LJQANCHMSA-N 443.507 3.828 0 40 IHAB COc1ccc(Cl)cc1-c1nc(S/C(C(=O)O)=C2/C(=O)Nc3ccccc32)n[nH]1 408633535 ZQDZMQWYIAOQFM-CCEZHUSRSA-N 428.857 3.674 0 40 IHAB CCCC[C@@H](CC)CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccc(OC)cc1 408709714 GDZQGTVNPQJXPM-GOSISDBHSA-N 439.556 3.896 0 40 IHAB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cccn3-c3ccc(Cl)cc3)C2=O)cc1 409022115 JSKWXJBRVYKTJN-DEDYPNTBSA-N 434.883 3.971 0 40 IHAB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(Br)s2)C1=O 409235747 QFKJOXSVLFMCGL-NTEUORMPSA-N 434.315 3.604 0 40 IHAB Cc1ccc(N(CC(=O)Nc2ccc(Br)cc2F)S(C)(=O)=O)c(C)c1 409261767 AYHKAWJPVVXJGY-UHFFFAOYSA-N 429.311 3.610 0 40 IHAB Cc1nc(N2CCC(NC(=O)CSc3ccc(F)cc3)CC2)cc(C(F)(F)F)n1 575604614 APFXAEOWOSEAHZ-UHFFFAOYSA-N 428.455 3.820 0 40 IHAB COc1ccc(CCn2c(N)c(C(=O)NCc3ccco3)c3nc4ccccc4nc32)cc1 2291753 ZWXJZWTZCZMZTE-UHFFFAOYSA-N 441.491 3.941 0 40 IHAB O=C(OCC(=O)N(CCc1ccccc1)Cc1ccccc1)[C@H]1COc2ccccc2O1 2623554 HOCIPGLSYGOZMD-XMMPIXPASA-N 431.488 3.641 0 40 IHAB O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)N1CCN(c2ccccc2)CC1 2720437 AZRWYASXCVLODA-UHFFFAOYSA-N 444.944 3.743 0 40 IHAB COc1cc(Cl)c(C)cc1NC(=O)CSc1nnnn1-c1cc(C)ccc1OC 3491683 CIMZLBCLLHETFS-UHFFFAOYSA-N 433.921 3.681 0 40 IHAB C[C@H]1CCC[C@H](C)N1C(=O)Cn1c(SCC(=O)N2CCCCC2)nc2ccccc21 4859214 CGZITAHHAJSUCX-ROUUACIJSA-N 428.602 3.930 0 40 IHAB COc1ccc(N(CCC(=O)Nc2cccnc2)S(=O)(=O)c2cccc(Cl)c2)cc1 6191310 JASLTQHTJLPVJY-UHFFFAOYSA-N 445.928 3.968 0 40 IHAB Cc1ccc2cc(CN(Cc3ccco3)C(=S)NC[C@@H]3CCCO3)c(=O)[nH]c2c1C 8686550 UHGNAYQNMWXNRW-IBGZPJMESA-N 425.554 3.794 0 40 IHAB Cc1nnc2sc(-c3cccc(NC(=S)NC(=O)Cc4ccc(Cl)cc4)c3)nn12 8831538 BZMLFNREWMZUOM-UHFFFAOYSA-N 442.957 3.870 0 40 IHAB CCS(=O)(=O)N1CCc2cc(C(=O)COC(=O)c3cc4ccccc4s3)ccc21 8883975 MMICLIYDGCANCA-UHFFFAOYSA-N 429.519 3.653 0 40 IHAB CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)Cc1ccc2c(c1)OCCO2 9125502 MKRLSUSPKZPRMZ-UHFFFAOYSA-N 442.821 3.770 0 40 IHAB COc1ccc2nc(NC(=O)[C@@H](CCSC)NC(=O)COc3ccccc3)sc2c1 9218628 DGFVSYDAMAFZJE-QGZVFWFLSA-N 445.566 3.560 0 40 IHAB CCn1c(COc2ccccc2OC)nnc1SCC(=O)Nc1ccc(F)cc1F 9263553 ZUOHDVIAJMRBPY-UHFFFAOYSA-N 434.468 3.895 0 40 IHAB Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)S(=O)(=O)c2ccc3c(c2)CCC3)c1C 9377935 OQGASFNWEALAFO-NRFANRHFSA-N 442.581 3.601 0 40 IHAB O=C(COc1ccc(Br)cc1)OCC(=O)N1CCC(Cc2ccccc2)CC1 9439887 YERNGMNKCZUXCR-UHFFFAOYSA-N 446.341 3.852 0 40 IHAB O=C(CSc1nnc(CN2CCCC2)o1)N1c2ccccc2OC[C@H]1c1ccccc1 9464695 YDYGXRTYYAFKQJ-IBGZPJMESA-N 436.537 3.924 0 40 IHAB C[C@@H]1CCN(C(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)c2ccccc2S1 9532781 PSBDUZKMSHEVEJ-GYCJOSAFSA-N 435.549 3.688 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cccc(C(F)(F)F)c2)cc1 9575790 UILSJWOVDYCNOP-GOSISDBHSA-N 442.459 3.896 0 40 IHAB Cc1cc(NC(=O)c2ccc(F)c(F)c2)n(-c2ncnc3c2cnn3-c2ccccc2)n1 9661088 MXVHHODVNZBWJI-UHFFFAOYSA-N 431.406 3.840 0 40 IHAB COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(F)cc3)n2-n2cccc2)cc1 9738051 DWCMAXNYUMBXPA-UHFFFAOYSA-N 437.500 3.860 0 40 IHAB O=C(Nc1ccccc1N1CCCC1=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 9846721 HGPJOHWFHPPULV-KRWDZBQOSA-N 425.916 3.958 0 40 IHAB Nc1nc(COC(=O)c2ccccc2C(=O)c2cccs2)nc(Nc2ccccc2)n1 10037316 QBLRZCFCEWDIBD-UHFFFAOYSA-N 431.477 3.847 0 40 IHAB Cc1cc(Cl)ccc1N(CC(=O)NCCSCc1ccccc1F)S(C)(=O)=O 10280984 GFWQBMYKRHBZEC-UHFFFAOYSA-N 444.981 3.603 0 40 IHAB CCOc1cccc(NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)c1 10294311 SLXSCTDSMDXUHU-UHFFFAOYSA-N 440.521 3.928 0 40 IHAB O=C(NCCCn1ccnc1)c1nn(-c2ccc(F)cc2)cc1OCc1ccc(F)cc1 11694454 IEEFPFKEACYIGL-UHFFFAOYSA-N 437.450 3.746 0 40 IHAB COCCn1c(SCC(=O)Nc2cccc3ccccc23)nc2c(c1=O)S[C@H](C)C2 11726534 NFEOJENHACTIHR-CQSZACIVSA-N 441.578 3.810 0 40 IHAB Cc1csc(SCc2c(C(=O)N(C)[C@H]3CCS(=O)(=O)C3)oc3ccccc23)n1 12568943 DQMCCRMNZBDXEM-ZDUSSCGKSA-N 436.580 3.749 0 40 IHAB Cc1onc(C(C)C)c1C(=O)N[C@@H]1CC(C)(C)Cc2nc(N3C[C@H](C)O[C@H](C)C3)ncc21 12736362 GGPXSXALZIEERE-RVKKMQEKSA-N 441.576 3.954 0 40 IHAB COc1ccc(C(=O)C2CCN(C(=O)[C@H](C)NC(=O)c3ccccc3Cl)CC2)cc1 12740081 GARFXJRJLNFQKE-HNNXBMFYSA-N 428.916 3.588 0 40 IHAB CCC(C)(C)NC(=O)c1ccc2c(c1)N(CC(=O)Nc1ccc(F)cc1)C(=O)C(C)(C)O2 12875964 APVGGMHCGHTPNY-UHFFFAOYSA-N 441.503 3.887 0 40 IHAB Cc1cc(C(=O)Cn2cnc3sccc3c2=O)c(C)n1C[C@@H]1COc2ccccc2O1 13074561 IGFPUPUZRQXHHP-MRXNPFEDSA-N 435.505 3.599 0 40 IHAB COc1ccc(NC(=O)CN2c3ccc(C)cc3-c3ccccc3S2(=O)=O)c(OC)c1 13566670 IXKIROQLOAPDTA-UHFFFAOYSA-N 438.505 3.827 0 40 IHAB COc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCCCC3)c2)c(OC)c1 13581616 HFYPLJXDCLUQBQ-UHFFFAOYSA-N 448.541 3.529 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCCCc1cccc(C)c1 13675133 JKUNSFZRLLKWKN-UHFFFAOYSA-N 444.597 3.787 0 40 IHAB COc1ccc2nc(-c3ccc(C)c(NC(=O)[C@H](C)Oc4ccc5c(c4)OCO5)c3)cn2n1 13710766 BLCDQORHLSBUJF-HNNXBMFYSA-N 446.463 3.848 0 40 IHAB CCOC(=O)c1c(NC(=O)CCC(=O)N2CCC(C)CC2)sc2c1CC(C)(C)OC2 13800917 DOZCPHNJDDMVFX-UHFFFAOYSA-N 436.574 3.753 0 40 IHAB CCn1c(SCC(=O)Nc2ccc(OC)cc2OC)nnc1-c1cccc(OC)c1 13803837 GBZUXMZVTHMEKA-UHFFFAOYSA-N 428.514 3.722 0 40 IHAB O=C(C[C@](O)(c1ccccc1)C(F)(F)F)N1CCN(Cc2ccc(Cl)cc2)CC1 14113813 YLTRYTDMZMHQPJ-FQEVSTJZSA-N 426.866 3.824 0 40 IHAB COc1ccc([C@@H](CNC(=O)c2cc(C3CC3)nn2-c2ccccc2)N2CCOCC2)cc1 14141776 FDHCTGXRVOSCRU-RUZDIDTESA-N 446.551 3.562 0 40 IHAB CCS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1Cl)c1ccc2c(c1)OCCO2 14396693 DFXPFLMJBPZYOE-UHFFFAOYSA-N 445.324 3.559 0 40 IHAB Cc1cc(C(=O)CN(C)Cc2nc3ccccc3c(=O)[nH]2)c(C)n1Cc1ccc(F)cc1 15447814 KRNDRUAQLLAMMW-UHFFFAOYSA-N 432.499 3.844 0 40 IHAB O=C(/C=C/c1ccccc1)NC(=S)Nc1ccc(I)cc1F 17094715 VXFJKOVOVHRLGP-RMKNXTFCSA-N 426.254 3.957 0 40 IHAB CCOc1ccc(C(=O)Nc2cc(C)nn2-c2ncnc3c2cnn3-c2ccccc2)cc1 17307445 QSFXHMSLMSCRSW-UHFFFAOYSA-N 439.479 3.961 0 40 IHAB CC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccc(OC)cc1 17798262 JKANZCAURLRJQU-JOCHJYFZSA-N 430.570 3.672 0 40 IHAB Cc1ccccc1-c1noc([C@H]2CN(C(=O)CCn3nc(C(F)(F)F)cc3C)CCO2)n1 19237490 RWEMHXLUQSTVGN-MRXNPFEDSA-N 449.433 3.559 0 40 IHAB CCC(=O)Nc1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(F)ccc2O3)cc1 19499324 WJBWBACQVGDOPO-NHCUHLMSSA-N 428.504 3.558 0 40 IHAB COc1ccc(CC(=O)N2CCNC(=O)[C@@H](Cc3cccc(-c4ccc(F)cc4)c3)C2)cc1 19554263 FFVJAEYFCJEGCL-QHCPKHFHSA-N 446.522 3.861 0 40 IHAB COc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@H](O)c3c[nH]c4ccc(F)cc34)CC1)O2 19562165 SXCSUEQAIXKWFT-YADHBBJMSA-N 426.488 3.700 0 40 IHAB COc1ncc([C@]2(O)CCC[C@H]3CN(Cc4ccc(C(F)(F)F)cc4)C[C@@H]32)c(OC)n1 19594833 UOMILIRNOLQPER-UQASEVPWSA-N 437.462 3.632 0 40 IHAB Cc1nc([C@H]2CCCN2C(=O)c2cccnc2)nc2c1CCC(=O)N2Cc1cccc(F)c1 19696381 QYJFIDPSBLNWPE-OAQYLSRUSA-N 445.498 3.776 0 40 IHAB CN(C)C(=O)c1sc2ncccc2c1[C@H]1CN(C(=O)c2cc3ccccc3o2)CCO1 19703128 XZWJPJBMLGRWHP-GOSISDBHSA-N 435.505 3.958 0 40 IHAB Cc1nc(C2CCN(C(=O)c3cnn(C)c3)CC2)nc2c1CCCN2Cc1ccc(F)cc1 19705676 CENOYQJDYDKLRI-UHFFFAOYSA-N 448.546 3.630 0 40 IHAB COc1ccc(CC(=O)N2CCCC[C@H]2c2ncc(C(=O)N3CCCCC3)c(C)n2)cc1 19765742 QRDOYMWDHMSTKW-QFIPXVFZSA-N 436.556 3.716 0 40 IHAB O=C(C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1)N1CCCc2ccccc21 20107709 DTNZBTUWYSFWIS-UHFFFAOYSA-N 432.973 3.861 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCc2ccc(F)cc2)c2ccccc2)cc1 20923298 UXNANWOSMVEHQB-UHFFFAOYSA-N 426.513 3.688 0 40 IHAB COc1ccc([C@@H](NC(=O)CN2CCN(Cc3cccs3)CC2)c2ccccc2)cc1 22928973 CBFGDOVBKJXNLG-VWLOTQADSA-N 435.593 3.780 0 40 IHAB CCC[C@H](c1nnnn1Cc1ccc(F)cc1)N1CCN(Cc2ccccc2OC)CC1 22929230 GUCFFGAAKAONOZ-JOCHJYFZSA-N 438.551 3.528 0 40 IHAB COc1ccc(-n2c(C)nc3ccc(NC(=O)COc4ccc(F)cc4)cc3c2=O)cc1 23143826 ZGHIMMUJISFBFF-UHFFFAOYSA-N 433.439 3.859 0 40 IHAB Cc1nc(C2(NC(=O)C3CCN(c4ccc(C(F)(F)F)cn4)CC3)CCCCC2)no1 23508307 IEUTUQWAXZKUCF-UHFFFAOYSA-N 437.466 3.984 0 40 IHAB O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCN(CCOc2ccc(Cl)cc2)CC1 23762011 QDJJWSJVANMUKM-QHCPKHFHSA-N 444.959 3.735 0 40 IHAB Cc1cccc(-c2nnc(S)n2CC(=O)NC[C@@H](c2ccccc2Cl)N(C)C)c1 24987631 NNMWGUOZNTZJDC-SFHVURJKSA-N 429.977 3.615 0 40 IHAB NC(=O)CCn1c(-c2ccco2)nn(CN2CCC(CCc3ccccc3)CC2)c1=S 31653216 GORWMSQTLATUOD-UHFFFAOYSA-N 439.585 3.852 0 40 IHAB Cc1ccc(NC(=O)CS[C@H](C)C(=O)O[C@H](C)C(=O)N(C)Cc2ccccc2)cc1 32738652 VAPJPRWWWREPBS-QZTJIDSGSA-N 428.554 3.646 0 40 IHAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CN[C@H](C)c1ccc(F)cc1)n2CCC(C)C 32753392 KDHTVAKSRZXMTM-MRXNPFEDSA-N 429.540 3.722 0 40 IHAB Cc1ccc(Nc2nc(COC(=O)CCNS(=O)(=O)c3ccccc3)cs2)cc1 32957557 XSFMKUOBYHADHX-UHFFFAOYSA-N 431.539 3.607 0 40 IHAB Cc1cccc(OCC(=O)NCCN2C(=O)S/C(=C/c3ccc(Cl)cc3)C2=O)c1 35131266 VGZFUIIJZCGWFG-LDADJPATSA-N 430.913 3.880 0 40 IHAB O=C(/C=C/c1ccccc1)Nc1nc(CC(=O)N2CCn3c2nc2ccccc23)cs1 38575689 FMVOTNVGINSYLB-ZHACJKMWSA-N 429.505 3.734 0 40 IHAB O=C1CCCN1c1cc(C(=O)N2CCC[C@@H]2c2nnc3n2CCCCC3)ccc1Cl 40080240 LBEGRZFWONVKIF-QGZVFWFLSA-N 427.936 3.762 0 40 IHAB CC[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccc(C(C)C)cc1)CC(=O)N2 40390443 ZNCCGRRQANXUNU-ROUUACIJSA-N 437.544 3.727 0 40 IHAB Cc1cc(C(=O)N2CCN(C(=O)Nc3cccc(OCc4ccccn4)c3)CC2)c(C)o1 48273519 IBKKMPHLOQYURB-UHFFFAOYSA-N 434.496 3.860 0 40 IHAB COc1ccc(NC(=O)[C@H]2CCCN2CC(=O)N2CCC(Cc3ccccc3)CC2)cc1 48353994 HTBMIKRJSGALTB-XMMPIXPASA-N 435.568 3.579 0 40 IHAB CC(C)(C)C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cccc(F)c3)cc2)CC1 57316579 UTSXGAGPONRLGZ-UHFFFAOYSA-N 442.560 3.647 0 40 IHAB CCn1c(SCC(=O)NCc2ccccc2Br)nc2ccsc2c1=O 57478496 KHTWAOBNHKAOSC-UHFFFAOYSA-N 438.372 3.649 0 40 IHAB COC(=O)CCc1c(C)nn(-c2ccc(C(=O)Nc3ccc4nc(C)cn4c3)cc2)c1C 58175626 BJHWAAKTDSDDFN-UHFFFAOYSA-N 431.496 3.803 0 40 IHAB O=C(Nc1nc2ccccc2n1-c1ccccc1)c1ccc(S(=O)(=O)NC2CC2)cc1 58307355 JGXZXAIQQDGPDQ-UHFFFAOYSA-N 432.505 3.719 0 40 IHAB O=C(NCC1(c2ccc3c(c2)OCO3)CCOCC1)c1c[nH]nc1-c1ccc(Cl)cc1 60372633 UIYLTSARQXEVMR-UHFFFAOYSA-N 439.899 3.937 0 40 IHAB CC[C@@H](C)NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2cc(C(C)(C)C)ccc2O1 64985434 FTJJEJKCNUOKEL-IERDGZPVSA-N 430.570 3.855 0 40 IHAB COc1ccc(-c2noc(-c3cccn3CC(=O)N3CCc4ccccc4C3)n2)cc1OC 67208056 CEBOXANUGJHHHN-UHFFFAOYSA-N 444.491 3.807 0 40 IHAB CCOc1ccc(C[C@H](CNCc2ccccc2OC[C@@H]2CCCO2)C(=O)OC)cc1 95467745 PJXUKEBVCJHWAX-GGAORHGYSA-N 427.541 3.765 0 40 IHAB CCOc1ccc(C[C@@H](CNCc2ccccc2OC[C@H]2CCCO2)C(=O)OC)cc1 95467746 PJXUKEBVCJHWAX-JTHBVZDNSA-N 427.541 3.765 0 40 IHAB CCCC[C@](C)(O)[C@@H]1C[C@@]23C=C[C@]1(OC)[C@@]1(C)Oc4c(O)ccc5c4[C@@]12CCN(C)[C@@H]3C5 96316373 NODDVOPQRZIFJX-CNUVDNFDSA-N 439.596 3.944 0 40 IHAB biogenic,in-vitro CCOc1cc(/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)ccc1O[C@@H](C)C(=O)N(C)C 96635054 ITGHTTBYCUYYCU-QCUKBLKESA-N 442.899 3.939 0 40 IHAB CCOc1cccc(CNC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)c1 216349488 CRSOQSLENGKYRM-UHFFFAOYSA-N 438.549 3.982 0 40 IHAB CCOC[C@@]1(C(N)=S)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218659235 SSTZKBZTJDEKRK-ZIFCJYIRSA-N 427.950 3.728 0 40 IHAB CCN(c1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3cc(OC)ccc32)cc1)S(=O)(=O)CC 222403180 GPVLKQFSGMGIBQ-HXUWFJFHSA-N 446.569 3.903 0 40 IHAB Cc1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)cc1S(=O)(=O)N1CCCC1 223707360 OPTGXZSQPKGPBJ-UHFFFAOYSA-N 428.539 3.550 0 40 IHAB CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(Cl)cc1Cl 224008659 KQAGAMHSXLUSHQ-CQSZACIVSA-N 439.339 3.934 0 40 IHAB CC[C@H](C(=O)Nc1ccc2c(c1)sc(=O)n2CC)N(c1ccc(C)cc1)S(C)(=O)=O 225103502 GFVBIYBQLGODNM-QGZVFWFLSA-N 447.582 3.575 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)N[C@H](C)c1ccc(F)cc1 225357963 UULJIDCTHFGHPU-QGZVFWFLSA-N 448.560 3.819 0 40 IHAB O=c1sc2cc(S(=O)(=O)Nc3ccc4c(c3)OCO4)ccc2n1Cc1ccccc1 225740682 DGNSNLAHPDRKAV-UHFFFAOYSA-N 440.502 3.641 0 40 IHAB O=S(=O)(Cc1ccc(C(F)(F)F)cc1)NC[C@](O)(c1ccoc1)c1cccs1 244986032 JCTKMQCTUIFPFI-KRWDZBQOSA-N 431.457 3.715 0 40 IHAB O=C(c1cccnc1O[C@@H]1CCSC1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 245131296 VNUQZBOJMCIYCP-QGZVFWFLSA-N 437.487 3.947 0 40 IHAB CCCN1CCN(C(=O)c2c[nH]cn2)C[C@@H](Cc2cccc(-c3cccc(C)c3)c2)C1=O 257218454 DDFGQYHVGDJYDU-HSZRJFAPSA-N 430.552 3.938 0 40 IHAB COc1ccc(CNc2cc(-c3cnc(N(C)C)nc3[C@@H]3CCN(C(C)=O)C3)ccn2)cc1 257261068 LFPFVTKMSJYYMV-HXUWFJFHSA-N 446.555 3.561 0 40 IHAB COCc1ccc(C(=O)N2CCO[C@H](c3cc(Nc4nc(C)cc(C)n4)cc(C)n3)C2)cc1 257270718 MVJQEMUKJQCNEX-QHCPKHFHSA-N 447.539 3.901 0 40 IHAB CC(C)Oc1ccc(-c2cnc(N(C)C)nc2[C@H]2CCCN(C(=O)Cn3cccn3)C2)cc1 257330322 XNWOZRJXAPOBIQ-FQEVSTJZSA-N 448.571 3.600 0 40 IHAB O=C(c1ccnc(N2CCOCC2)c1)N1CCC[C@H](c2nccnc2Oc2ccccc2)C1 257340652 ZHBFCDHHTAOQNZ-FQEVSTJZSA-N 445.523 3.520 0 40 IHAB CN1CCN(C(=O)CCc2ccccc2)C[C@H]1c1ncn2cc(-c3cccnc3)ccc12 306141528 VZGGPQVMGHWIAR-DEOSSOPVSA-N 425.536 3.844 0 40 IHAB CCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(OCC)c(C)c3)CC2)cc1 408555960 BKVAUBDILUFWHJ-UHFFFAOYSA-N 446.569 3.832 0 40 IHAB CCOC(=O)C1CCN(C(=O)C(=O)c2c(-c3ccc(OCC)cc3)cc3ccccn23)CC1 408675125 GPJXBZDYYBJGKO-UHFFFAOYSA-N 448.519 3.989 0 40 IHAB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2cc(Br)c(O)c(OC)c2)C1=O 409216706 KHOVBEVFAYSGHN-PBJWJZLWSA-N 444.303 3.541 0 40 IHAB COc1ccc(CN(CCO)CC(=O)Nc2cccc(-c3csc(C)n3)c2)c(OC)c1 532574651 ICHYTHBQRSWCJS-UHFFFAOYSA-N 441.553 3.569 0 40 IHAB Cc1[nH]c2ccccc2c1C1=CCN(C(=O)NCC(=O)N2CCc3ccccc3C2)CC1 588307189 BFFZLDJGGZNINQ-UHFFFAOYSA-N 428.536 3.860 0 40 IHAB CC(C)Oc1cccc(-c2ccc3c(c2)CN2CCC[C@@H](C2)C(=O)NCCOCCO3)c1 643571318 FTZZKMGPMBVZSZ-QFIPXVFZSA-N 438.568 3.878 0 40 IHAB Cc1nc2ccccn2c1C(=O)N1CCC2(CC[C@@H]2NC(=O)CCc2ccccc2)CC1 1565554570 BBHHSMNVFJMCAV-NRFANRHFSA-N 430.552 3.777 0 40 IHAB CCOc1cc(/C=C2\N=C(c3ccc4c(c3)OCO4)OC2=O)cc(Cl)c1OC(C)=O 677049 LRSWYANUPQMKCQ-CHHVJCJISA-N 429.812 3.737 0 40 IHAB COC(=O)c1ccccc1NC(=O)c1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 793736 RHBOXVGBMFTODL-UHFFFAOYSA-N 447.398 3.911 0 40 IHAB CCOC(=O)c1cccc(NC(=O)CSc2nnc(COc3ccccc3)n2CC)c1 908395 CKXCRGYGHGMRQK-UHFFFAOYSA-N 440.525 3.785 0 40 IHAB C[C@@H]1CCc2c(sc3c2c(=O)n(C)c2nnc(SCc4ccc5c(c4)OCO5)n32)C1 986184 HWLPZNWZUMOZNN-LLVKDONJSA-N 440.550 3.789 0 40 IHAB CCCCOC(=O)Cn1cnc2sc(C(=O)Nc3ccc(C)cc3C)c(C)c2c1=O 1784723 VKCKBBOINRADNP-UHFFFAOYSA-N 427.526 3.979 0 40 IHAB COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1ccc(OCCC(C)C)c(OC)c1 2487012 WKDJGWYHAFCUHD-FQEVSTJZSA-N 432.542 3.943 0 40 IHAB COc1ccc(OC)c(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)c1 2623120 JLCPDWDTAQKCNL-UHFFFAOYSA-N 426.494 3.781 0 40 IHAB CCS(=O)(=O)c1ccc2oc(SCC(=O)N[C@H](C)CCc3ccccc3)nc2c1 3332963 XRNJIHBLJNFBTJ-OAHLLOKOSA-N 432.567 3.851 0 40 IHAB O=C(Nc1ccc(Cl)c(Cl)c1)OCc1cccc(S(=O)(=O)N2CCOCC2)c1 3371412 RHAVGQWILFUICD-UHFFFAOYSA-N 445.324 3.763 0 40 IHAB C[C@@H](NC(=O)COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)c1ccccc1 3372008 XMCWLQYTLPLDAB-QGZVFWFLSA-N 442.471 3.517 0 40 IHAB COc1ccccc1NC(=O)COc1ccc(C(=O)NCc2ccc(F)cc2)cc1OC 3435318 BMPSEYNGTVJIBL-UHFFFAOYSA-N 438.455 3.790 0 40 IHAB CCOC(=O)c1c(C2CC2)csc1NC(=O)COC(=O)/C=C/c1ccc2c(c1)OCO2 3436168 QDMMMKIADKVQDB-XBXARRHUSA-N 443.477 3.726 0 40 IHAB Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)COc4ccccc4)cc3)CC2)cc1 4122858 AFDLJGDWVJOCRU-UHFFFAOYSA-N 429.520 3.975 0 40 IHAB O=C(c1ccc2c(c1)OCO2)N(C[C@H]1CCCO1)C1(C(=O)NC2CCCC2)CCCCC1 4434649 QDDGRKZOJVDKNF-HXUWFJFHSA-N 442.556 3.798 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(NC(=O)CSCc2c(C)noc2C)ccc1C 6508716 HPARUZGDKUMMPP-UHFFFAOYSA-N 425.576 3.502 0 40 IHAB COc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2Br)n1C 8446176 IZEZQFZMYAHKPE-UHFFFAOYSA-N 433.331 3.984 0 40 IHAB Cc1cc(C)c2nc(O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCC(C)CC3)cc2c1 8674174 BPTGALQBEHFOTB-SIKLNZKXSA-N 436.560 3.544 0 40 IHAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3OC(C)C)cc2)n1 8722928 UMSVRYJXHODLBM-UHFFFAOYSA-N 440.525 3.934 0 40 IHAB C[C@H]1Oc2ccc(NC(=O)CSc3nnc(C4CC4)n3Cc3ccccc3)cc2NC1=O 8753940 LNLHQHSXAHFEBW-CQSZACIVSA-N 449.536 3.654 0 40 IHAB O=C(Oc1ccc(Br)cc1)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1 8874709 ODSWUCHDWZJBHK-FTUNRGFVSA-N 438.277 3.980 0 40 IHAB CCOc1ccc(-c2cc3c(=O)n(CC(=O)N4CCCc5ccccc54)ccn3n2)cc1 9321237 YAPQYBYQMYWGQA-UHFFFAOYSA-N 428.492 3.541 0 40 IHAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)COc2ccccc2)cc1 9335317 WDSHSODMGPVOLF-XMMPIXPASA-N 444.487 3.995 0 40 IHAB COc1ccc(Cl)cc1NC(=O)[C@H](C)N1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O 9478432 QOCBXDQDYBSXRK-NPMABZOXSA-N 441.915 3.632 0 40 IHAB COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3cccnc3)nn2[C@H]1c1ccncc1 9602033 IDUBBGLJOGONCG-NRFANRHFSA-N 439.479 3.671 0 40 IHAB CN(Cc1ccccc1N1CCCC1)C(=O)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 9605715 QQWWCMTVZHVTLL-UHFFFAOYSA-N 447.988 3.653 0 40 IHAB Cn1nnnc1SCC(=O)N(Cc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 9671378 YFXUJAQJRZHQLN-UHFFFAOYSA-N 431.993 3.953 0 40 IHAB Cc1[nH]c(SCC(=O)Nc2ccc(N3CCN(C)CC3)cc2)nc1Cc1ccccc1 9712081 OOQBLCJPZHCUNC-UHFFFAOYSA-N 435.597 3.792 0 40 IHAB Cc1cc(C(=O)CSc2nnc(-c3cccs3)n2C2CC2)c(C)n1-c1ncn[nH]1 9813572 RMXPZLTVQAHZNK-UHFFFAOYSA-N 425.543 3.842 0 40 IHAB CCC[C@@H](C(=O)Nc1cc(C)on1)N(CCC)CC(=O)Nc1ccc(F)c(F)c1F 9911188 WCJYEESFVYKZJS-HNNXBMFYSA-N 426.439 3.858 0 40 IHAB Cc1ccc(NC(SCCOc2ccc(C)cc2)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 9973826 RRCJARPEAIGAIU-UHFFFAOYSA-N 439.537 3.790 0 40 IHAB Oc1cccc([C@H]2c3c(-c4ccc(Cl)cc4Cl)nnc(O)c3Nc3nnnn32)c1 10298337 OLAKVEGDGANPFE-INIZCTEOSA-N 428.239 3.543 0 40 IHAB COc1ccc(N([C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)S(C)(=O)=O)cc1Cl 10364786 UZIIVGOCVOKTKH-JHMRYYBSSA-N 440.993 3.588 0 40 IHAB COc1ccc(C23C[C@@H]4C[C@@H](CC(C(=O)N5CCN(c6cnccn6)CC5)(C4)C2)C3)cc1 11545520 SXHAIYYPHDEZHI-ADXLDGDMSA-N 432.568 3.672 0 40 IHAB O=S(=O)(Nc1ccc(-c2ccc3nnc(-c4ccccn4)n3n2)cc1)c1ccccc1 11665572 GCAGWIXSUUQTMB-UHFFFAOYSA-N 428.477 3.654 0 40 IHAB Cc1ccc(C2=NN(C(=O)CSc3ncnc4c3cnn4C)[C@@H](c3ccco3)C2)cc1 11681724 GKGRMFOOJAKXEP-GOSISDBHSA-N 432.509 3.735 0 40 IHAB O=C(CSc1nnnn1Cc1ccco1)N1CCc2sccc2[C@H]1c1cccs1 11743795 MULCILMUOVTTIA-SFHVURJKSA-N 443.579 3.704 0 40 IHAB Cc1nn(CC(=O)Nc2ccccc2C(F)(F)F)c(=O)c2c1cnn2-c1ccccc1 12227931 LUUMTLIUGHWMGU-UHFFFAOYSA-N 427.386 3.548 0 40 IHAB COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(OC(F)F)cc1 12289288 VOGOUAOYRZXLDN-SFHVURJKSA-N 427.411 3.816 0 40 IHAB O=S1(=O)CC[C@@H](N(Cc2ccccc2)Cn2ncn(-c3cccc(Cl)c3)c2=S)C1 12516796 SZSMNXLNYLFWHN-LJQANCHMSA-N 449.001 3.703 0 40 IHAB CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NCc1c(F)cccc1Cl 12526479 JZKYZBHBXZQNAB-UHFFFAOYSA-N 442.940 3.899 0 40 IHAB COc1cc(OC)cc([C@H](NC(=O)c2ccc(Br)cc2)c2nccn2C)c1 12550211 OYXJYWPFBKDYFN-SFHVURJKSA-N 430.302 3.719 0 40 IHAB CCS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 12584462 DLVIEBGFVGGULA-UHFFFAOYSA-N 427.853 3.953 0 40 IHAB O=C(Cn1nnc(-c2ccccc2NC(=O)c2ccc(Cl)cc2)n1)NC1CCCCC1 12638887 FPSUTSCICBXSJX-UHFFFAOYSA-N 438.919 3.695 0 40 IHAB CCOCCCNC(=S)N(Cc1cc2cc(CC)ccc2n2nnnc12)C1CCCC1 12645134 YKYAXVTZMXPGSZ-UHFFFAOYSA-N 440.617 3.886 0 40 IHAB O=C(CCSc1nnc(COc2ccc(Cl)cc2)o1)NC(=O)NCc1ccccc1 12894891 GJAGYNMGSGZNPO-UHFFFAOYSA-N 446.916 3.810 0 40 IHAB CCOc1cc2c(cc1/C=C/C(=O)N1CCC(n3c(=O)[nH]c4ccccc43)CC1)O[C@@H](C)C2 12994364 CWTDTIQZXZBWGY-IJDCCNJMSA-N 447.535 3.929 0 40 IHAB COC(=O)c1ccc(C)c(NC(=O)COc2cccc(-c3nnc4n3CCCCC4)c2)c1 12996738 AURJKZCCCZQPQA-UHFFFAOYSA-N 434.496 3.784 0 40 IHAB CCOC(=O)[C@@H]1CCCN(Cn2nc(-c3cccs3)n(C[C@@H]3CCCO3)c2=S)C1 13526195 SQDOYQZUSZCQAH-CVEARBPZSA-N 436.603 3.554 0 40 IHAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(Cl)ccc2C)C1 13580681 HGVMIRQQNFTPEF-CQSZACIVSA-N 440.924 3.836 0 40 IHAB CCCCn1c(N)c(N(CCC)C(=O)Cc2coc3ccc4ccccc4c23)c(=O)[nH]c1=O 15324324 AEAJLARSQJSWAG-UHFFFAOYSA-N 448.523 3.804 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccccc2OCc2cc(=O)n3ccc(C)cc3n2)cc1 15865434 LAHYHKGYJGMFKL-UHFFFAOYSA-N 435.505 3.691 0 40 IHAB COC(=O)c1ccc([C@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1 17949898 XDXJZBUCGIEITE-VJBWXMMDSA-N 442.471 3.520 0 40 IHAB Cc1cc2c(cc1C(=O)c1cccs1)N(CC(=O)N[C@H]1CCCC[C@H]1C)C(=O)CO2 19124969 DGCWCJSLCSLHDZ-PBHICJAKSA-N 426.538 3.708 0 40 IHAB Cc1ccc(C)c(N2C[C@@H](C(=O)N3CCC[C@@H](c4nc(-c5cccnc5)no4)C3)CC2=O)c1 19133714 DSWVJRHQADPWGR-UXHICEINSA-N 445.523 3.508 0 40 IHAB CN(C)C(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)Cc2cccnc2)C1 19580010 BZLXFCKAGHSTPH-RUZDIDTESA-N 433.577 3.902 0 40 IHAB COc1cc(OC)c(S(=O)(=O)N2CCO[C@@H](c3cc4ccccc4cn3)C2)cc1Cl 19595023 GHTSDAWLVCBVEO-HXUWFJFHSA-N 448.928 3.668 0 40 IHAB Cn1cc(-c2ccc(C3CCN(CC(=O)Nc4ccc5ncccc5c4)CC3)nc2)cn1 19687843 VURDFCDLZWWVAL-UHFFFAOYSA-N 426.524 3.848 0 40 IHAB Cc1cc(C)nc(N2CCC(c3ncc(C(=O)NCc4ccc(F)cc4)c(C)n3)CC2)n1 19766582 JNRLWIOPCGKVAZ-UHFFFAOYSA-N 434.519 3.645 0 40 IHAB CCN(Cc1ccccc1)C(=O)c1cc(-c2ccc(C)cc2)n([C@H]2CCS(=O)(=O)C2)n1 20397443 NBWSDPYECNEGRT-NRFANRHFSA-N 437.565 3.880 0 40 IHAB CC(C)C(=O)Nc1cccc(C(=O)Nc2nnc([C@H]3CC(=O)N(c4ccccc4)C3)s2)c1 20468355 QOOJSRHYECGGEG-INIZCTEOSA-N 449.536 3.905 0 40 IHAB COc1ccc([C@H](CNC(=O)c2csc(-c3ccc(OC)c(OC)c3)n2)N(C)C)cc1 21912298 RZMITFYUBPRTKZ-IBGZPJMESA-N 441.553 3.869 0 40 IHAB COCCn1c(S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)nc2sc(C)c(C)c2c1=O 23632987 PYEZQSDZZUELSM-ZDUSSCGKSA-N 442.566 3.811 0 40 IHAB COc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccccc2Br)cc1OC 24753647 RKIJDRLLTAWSCG-HNNXBMFYSA-N 426.332 3.992 0 40 IHAB COc1ccc(NC(=O)c2cccc3ncccc23)cc1S(=O)(=O)N1CCCCC1 32871975 NJOYYYUZNRQWGZ-UHFFFAOYSA-N 425.510 3.670 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1 33713440 GXWVXAXMKZNTCL-KRWDZBQOSA-N 440.521 3.752 0 40 IHAB CCOc1cc(C)ccc1OCc1nnc(SCC(=O)N[C@H]2CCCC[C@H]2C)n1C 33759131 LZTBYSGXFJWCHL-SJORKVTESA-N 432.590 3.888 0 40 IHAB CN1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3-c3ccccc3)c2)CC1 34886177 VJOVSTXSRLDZDS-UHFFFAOYSA-N 435.549 3.542 0 40 IHAB O=C(Nc1ccc(N2CCCN(C(=O)C3CC3)CC2)cc1)c1ccc(Cn2ccnc2)cc1 44225700 YQCUWQCIFLQHDT-UHFFFAOYSA-N 443.551 3.632 0 40 IHAB COCCOc1ccc(S(=O)(=O)Nc2cccc(-c3nc(C4CC4)no3)c2)cc1C 48303035 SYRPUSZYJQSKKV-UHFFFAOYSA-N 429.498 3.748 0 40 IHAB Cc1cccc(NC(=O)Cn2c(=O)n(Cc3ccc(C)c(C)c3)c(=O)c3sccc32)c1 57426989 CQLXGOKEXIXCJO-UHFFFAOYSA-N 433.533 3.837 0 40 IHAB COc1ccc(CNC(=O)Cn2cccc2-c2nc(-c3ccc(OC)c(OC)c3)no2)cc1 57487209 DUJMONRRIWQRIY-UHFFFAOYSA-N 448.479 3.547 0 40 IHAB CCc1cccc(NC(=O)Cn2c(=O)n(CCc3cccs3)c(=O)c3sccc32)c1 57493943 GMXBALKGOVDKEH-UHFFFAOYSA-N 439.562 3.730 0 40 IHAB COc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc(I)c1O 57610856 ZVHLAQDSOHMHIG-CGOBSMCZSA-N 437.159 3.865 0 40 IHAB O=C(c1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1)N1CCC(CO)CC1 72278506 UHPXTZIHFKWXPY-UHFFFAOYSA-N 449.381 3.700 0 40 IHAB CCCc1cc(C(=O)N2CCNC(=O)[C@H]2Cc2ccc(-c3cccc(F)c3F)cc2)no1 72351930 DYSHIGPMGLSIGQ-OAQYLSRUSA-N 439.462 3.756 0 40 IHAB CCNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCCN(C(=O)c2cccc(OC)c2)C1 72395944 DVUTUAFZQHGYKP-SANMLTNESA-N 447.535 3.951 0 40 IHAB CS[C@@H]1CCC[C@@H](NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2O)C1 78814764 ZUOSSOYNHKRFCR-TZMCWYRMSA-N 426.585 3.659 0 40 IHAB CCCOc1ccc(CN(CCCN(C)C)C(=O)[C@H](C)n2nc(C)cc2C)cc1OC 84758596 WBIBTAUXBFGMBL-FQEVSTJZSA-N 430.593 3.839 0 40 IHAB COc1cccc(-c2ccc3ccc(-n4nccc4C(=O)N4CC[C@H](N(C)C)C4)n3c2)c1 96155290 XPMZVBAQCCYBGD-NRFANRHFSA-N 429.524 3.577 0 40 IHAB Cc1cc(-c2cc(=O)n(CC(=O)N[C@]3(C)[C@H]4CC[C@@H](C4)C3(C)C)nc2-c2ccco2)on1 100724270 ZAXOZCSFEKMZCI-CCHLGUQTSA-N 436.512 3.798 0 40 IHAB O=C1Nc2ccc(Br)cc2[C@H]1/C=C1\SC(=O)N(c2cccc(O)c2)C1=O 101008385 QXOJDMRXVWSORE-ATDKOCKZSA-N 431.267 3.974 0 40 IHAB CCc1ccc(OC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1 102077284 SIFNWVZFBSLBLO-UNVPUSBVSA-N 441.527 3.819 0 40 IHAB Cc1c(C(=O)/N=c2/sccn2Cc2ccccc2Cl)sc2ncn(C)c(=O)c12 105129758 MVVUPVDSHRUZEZ-ZBJSNUHESA-N 430.942 3.609 0 40 IHAB CC(C)Oc1cccc(N(CC(=O)NCCCc2ccc(Cl)cc2)S(C)(=O)=O)c1 220109775 RTIYQVAHPAGSKG-UHFFFAOYSA-N 438.977 3.642 0 40 IHAB CC[C@H](C(=O)NCCSCc1cccc(C)c1)N(c1cccc(C)c1)S(C)(=O)=O 220504660 SAZASDQRZPLSBV-OAQYLSRUSA-N 434.627 3.898 0 40 IHAB C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(O)c(I)c2)S1 222583191 WVZCHJKYRJONMQ-JQAFLVLXSA-N 437.306 3.981 0 40 IHAB CCN(c1ccc2sc(C(=O)NCCCOC)cc2c1)S(=O)(=O)c1ccccc1 223393946 LVKQPNYKBWGVSJ-UHFFFAOYSA-N 432.567 3.883 0 40 IHAB COc1ccc(NS(=O)(=O)c2cc(C(=O)OC(C)C)ccc2NC[C@@H]2CCCO2)cc1 223427120 ODKYOJCUJMFDNL-IBGZPJMESA-N 448.541 3.652 0 40 IHAB CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccccc1 223888070 VMWGBWIBZGHFRP-MRXNPFEDSA-N 433.346 3.771 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCc4ccccc43)cc2)cc1OC 223991569 SDECILKPNMXLJG-UHFFFAOYSA-N 438.505 3.708 0 40 IHAB Cc1ccc(OCCNS(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)cc1Cl 224194394 QYGVEWNUCJXTSI-UHFFFAOYSA-N 440.974 3.963 0 40 IHAB CCOC(=O)CN(c1ccccc1Br)S(=O)(=O)c1ccc(OC)c(C)c1 224641658 DFMWUULEJKHQPB-UHFFFAOYSA-N 442.331 3.525 0 40 IHAB Cc1cc(C)cc(N([C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)S(C)(=O)=O)c1 224867742 MMIBUWLJLOGSPP-AWEZNQCLSA-N 430.448 3.995 0 40 IHAB CCOC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc2ccccc2c1 225050986 UCWQVCQTEGWLTE-UHFFFAOYSA-N 429.494 3.615 0 40 IHAB CCc1ccc(CC)c(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)c1 225458197 NEYLZAGAQNGHEG-FQEVSTJZSA-N 444.597 3.537 0 40 IHAB CCOC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c(C)c1 225478218 BMNMXEPSYOKANM-UHFFFAOYSA-N 444.553 3.520 0 40 IHAB CC(C)n1c(=O)sc2cc(S(=O)(=O)Nc3cccc(N4CCCC4=O)c3)ccc21 225718192 IATSBVXQMFRFIH-UHFFFAOYSA-N 431.539 3.572 0 40 IHAB C[C@@]1(C(=O)Nc2ccc(OC3CSC3)cc2)CCCN(Cc2ccccc2)S1(=O)=O 225952664 BSPZURUMEMXMAP-QFIPXVFZSA-N 446.594 3.504 0 40 IHAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCC(C)(C)C)c(C)c2)cc1 226055962 YUDLCIHJZIGPHF-UHFFFAOYSA-N 434.558 3.736 0 40 IHAB CCN(CC(=O)Nc1c(C)cc(Br)cc1C)S(=O)(=O)c1ccccc1 226073092 KDPGBYBAQKUWBK-UHFFFAOYSA-N 425.348 3.715 0 40 IHAB COCCN1C(=O)C[C@H](c2ccc(Cl)cc2)[C@H]2[C@@H](NCCCn3ccnc3)CCC[C@H]21 257260642 LDSNJQAPJHDXNR-GBAAUQCPSA-N 445.007 3.716 0 40 IHAB CCCc1cc(C(=O)N2[C@@H](Cc3ccccc3)[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)N3C(C)=O)n(C)n1 257262075 LJYIYVQEODBVBV-DGCJFVAGSA-N 448.611 3.988 0 40 IHAB O=C(c1ccc(OCCN2CCCCC2)cc1)N1CCC[C@@H]1c1cncc(-n2ccnc2)n1 257274261 NKFWZTWQWOKLHI-HSZRJFAPSA-N 446.555 3.504 0 40 IHAB Cc1ncc(-c2ccccn2)c([C@H]2CC[C@H](CNC(=O)c3c(C)cc(C)n(C)c3=O)CC2)n1 257342581 ZPHJMANJPUMMHE-MXVIHJGJSA-N 445.567 3.866 0 40 IHAB CC(=O)N1CCC[C@H]1c1nc(C(=O)NCc2cccc(C(F)(F)F)c2)c2ccccn12 306124701 BWXYMMPUJBIXRW-SFHVURJKSA-N 430.430 3.967 0 40 IHAB C[C@@H](NC(=O)c1ccc(Cl)cc1)c1nnc(SCC(=O)Nc2ccccc2)n1C 409351460 UTZHFMKZGMNGER-CYBMUJFWSA-N 429.933 3.690 0 40 IHAB COc1cccc(OC[C@H](O)CN(C)Cc2ccc(OCc3c(C)noc3C)cc2)c1 585270338 VDRJZPJLUPXCCB-HXUWFJFHSA-N 426.513 3.751 0 40 IHAB OC[C@H]1[C@H](O)C[C@@H](NCc2ccc(Cl)cc2)[C@@H]1Cc1ccnc(-c2ccccc2F)n1 604382091 DCMYCNBEIPKCHZ-OHUMZHCVSA-N 441.934 3.626 0 40 IHAB biogenic,in-vitro NS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](CNc3ccc(Cl)cc3)C2)cc1Cl 1156323003 BPJUTMAUQIHMNX-CYBMUJFWSA-N 442.368 3.605 0 40 IHAB COC(=O)c1cc(NC(=O)c2cc3cccc(C(F)(F)F)c3nc2O)cc(C(=O)OC)c1 1539518251 NLAUKYVQIMWMSG-UHFFFAOYSA-N 448.353 3.785 0 40 IHAB COc1ccc(C(=O)N2CCN(C(C)=O)[C@H](c3ccccc3)C2)cc1NCc1ccncc1 1848352722 CGKLSJMVYHCKBQ-DEOSSOPVSA-N 444.535 3.748 0 40 IHAB CCOC(=O)CSc1nc2nc3c(cc2c(=O)n1-c1ccccc1)CO[C@@](C)(CC)C3 2290542 JYNWTZOBUVNFLJ-QHCPKHFHSA-N 439.537 3.677 0 40 IHAB O=c1c2c3c(sc2nc(NCCOCCO)n1-c1cccc(Cl)c1)CCCCC3 2442656 OPWJNRJMTIPQLS-UHFFFAOYSA-N 433.961 3.790 0 40 IHAB CC(C)(C)OC(=O)COc1cc(OCC(=O)OC(C)(C)C)c2c3c(c(=O)oc2c1)CCC3 3200517 COYROSMGQLLBFK-UHFFFAOYSA-N 446.496 3.723 0 40 IHAB Cc1cccc(C)c1NC(=O)C1(N(Cc2ccco2)C(=O)[C@@H]2CCC(=O)N2)CCCCC1 3771327 FAPJVTURQFBWLU-FQEVSTJZSA-N 437.540 3.845 0 40 IHAB O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)NC1CCN(Cc2ccccc2)CC1 8744886 WBONXELAOXVWAY-UHFFFAOYSA-N 427.548 3.864 0 40 IHAB Cc1oc2c(C)c3oc(=O)c(CCC(=O)NCCCN4CCCC4=O)c(C)c3cc2c1C 8789948 QUMQGUKQKPMFHH-UHFFFAOYSA-N 438.524 3.834 0 40 IHAB biogenic CC(C)Cc1nnc(NC(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccc(Cl)cc34)C2)s1 9199078 TVAVUCNEZBBZAT-CQSZACIVSA-N 445.976 3.901 0 40 IHAB O=C(NCC1CCCCC1)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 9223740 NURDUFVMXYLXFP-UHFFFAOYSA-N 430.526 3.569 0 40 IHAB O=C(CSc1nnnn1C1CCCC1)N1N=C(c2cccs2)C[C@@H]1c1ccco1 9255735 AZLGEJPXYLUTLM-OAHLLOKOSA-N 428.543 3.913 0 40 IHAB Cc1cccc(NC(=O)CNC(=O)CSc2nnc(Nc3cccc(F)c3)s2)c1C 9256095 NYMZKISCBGPMCI-UHFFFAOYSA-N 445.545 3.885 0 40 IHAB CCCOc1ccc(N2C(=O)C[C@@H](NCC3CCN(Cc4cccs4)CC3)C2=O)cc1 9287923 HTNOROXPFQDNLC-JOCHJYFZSA-N 441.597 3.671 0 40 IHAB C[C@@H](CCc1ccccc1)N1C(=O)NC(=O)[C@@]2(Cc3c(ccc4ccccc34)N(C)C2)C1=O 9429910 KRCJJHLFCUIPFY-MYUZEXMDSA-N 441.531 3.918 0 40 IHAB C[C@H](NC(=O)c1ccc(NC(=O)CSc2nncn2C)cc1)c1ccc2c(c1)CCCC2 9535372 SMFMPGMJNOYFRW-INIZCTEOSA-N 449.580 3.916 0 40 IHAB Cc1ccc(Cl)cc1NC(=O)CN(C)S(=O)(=O)c1ccc(Br)s1 9559521 WBEFOXDTGGZOFZ-UHFFFAOYSA-N 437.768 3.732 0 40 IHAB COc1ccc(C(=O)n2nc(-c3cccnc3)nc2NCc2ccc(C)cc2)cc1OC 10060265 PJAJERIWFVZNEB-UHFFFAOYSA-N 429.480 3.966 0 40 IHAB O=C(NCc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1 10220732 IASGKXGPYYNVER-UHFFFAOYSA-N 437.496 3.735 0 40 IHAB CCc1ccc(NC(=O)CCc2nc3cc(S(=O)(=O)N(CC)CC)ccc3n2C)cc1 10741135 VFEQRAPWMARNQX-UHFFFAOYSA-N 442.585 3.738 0 40 IHAB COc1cc2ncn(CCCC(=O)N[C@H]3CCSc4ccccc43)c(=O)c2cc1OC 10758070 BZYYFFFVHXQVDM-KRWDZBQOSA-N 439.537 3.547 0 40 IHAB C[C@H]1Cc2ccccc2N1C(=O)C[C@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21 12233099 RNRCFYSHVJZXGZ-YJBOKZPZSA-N 443.532 3.597 0 40 IHAB COc1ccc([C@H]2CN(C)C[C@@H]2CNc2nc(C)c(Cc3ccccc3)c(O)n2)cc1OC 12235232 DHBQUVYNLQOVGK-RBBKRZOGSA-N 448.567 3.856 0 40 IHAB C[C@@H](NC(=O)Cc1csc2nc(-c3ccccc3)cn12)c1ccc(S(C)(=O)=O)cc1 12559692 IHTPQBSMQHXNHA-OAHLLOKOSA-N 439.562 3.886 0 40 IHAB CC[C@@H](C)N(C(=O)c1csnn1)[C@@H](C(=O)NCc1ccc(F)cc1)c1ccccc1 12873983 JNPNMRIPMAZFBN-FOIQADDNSA-N 426.517 3.976 0 40 IHAB CN(CC(=O)Nc1ccccc1I)Cc1nc2ccccc2s1 12918216 KPGAGQRMADMUKY-UHFFFAOYSA-N 437.306 3.971 0 40 IHAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)CCn2c(=O)oc3ccccc32)cc1 12978832 OLDJVKJYTVSAOV-UHFFFAOYSA-N 429.476 3.862 0 40 IHAB COc1ccc(-c2csc(NC(=O)COC(=O)C3C[C@@H]4CCC[C@H](C3)C4=O)n2)cc1 13101417 XKOCGTJPUQTFOH-XYPWUTKMSA-N 428.510 3.696 0 40 IHAB COc1ccc(NC(=O)[C@@H]2CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)cc1OC 13683822 GOQCHDAOKAGTKY-GOSISDBHSA-N 435.524 3.995 0 40 IHAB Cc1ccc2oc(C(=O)Nn3cnc4scc(-c5cccs5)c4c3=O)cc(=O)c2c1 14241591 NOLRROMFEZPEIE-UHFFFAOYSA-N 435.486 3.985 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 14908936 QKWMGTUINRKCQJ-UHFFFAOYSA-N 430.526 3.680 0 40 IHAB CCNc1ccc(S(=O)(=O)N(CC)CC)cc1NCC(=O)Nc1ccc(C)c(C)c1 15127185 AKHGNZYSIBBIBY-UHFFFAOYSA-N 432.590 3.816 0 40 IHAB CCOc1ccc(S(=O)(=O)Nc2cccc(I)c2)cc1OCC 17319741 NABLGJCUHNMBJG-UHFFFAOYSA-N 447.294 3.889 0 40 IHAB CC(C)C(=O)N1CCC(c2nc(O)cc([C@@H]3CCCN(C(=O)[C@H]4CC=CCC4)C3)n2)CC1 19085252 ZCBDAZIQPZBEIM-VQTJNVASSA-N 440.588 3.607 0 40 IHAB Cc1ccc(-c2cc(-c3ccc(F)cc3)nn2CCNC(=O)CCn2nccc2C)nc1 19216171 NFPHXWIYEMRDHF-UHFFFAOYSA-N 432.503 3.771 0 40 IHAB CCn1cc(CN2CCC[C@@H]([C@@H](NC(=O)c3ccccc3OC)c3ccccn3)C2)c(C)n1 19524528 BHOGBXYPSKHJAI-CJFMBICVSA-N 447.583 3.998 0 40 IHAB COc1ccccc1C(=O)N1CCC(Cc2cccc(-c3cccnc3)c2)(C(N)=O)CC1 19700343 AOZVVJNIZCCZSO-UHFFFAOYSA-N 429.520 3.708 0 40 IHAB CCN(CC)C(=O)c1cnc([C@H]2CCN(Cc3c[nH]nc3-c3ccc(OC)cc3)C2)nc1C 19757517 AZJJQDAZPXATSH-IBGZPJMESA-N 448.571 3.655 0 40 IHAB CCn1ccc(C(=O)N2CC[C@@H](c3ncc(C(=O)Nc4ccc(Cl)cc4)c(C)n3)C2)n1 19766170 PGOVVBMKVRQVIW-OAHLLOKOSA-N 438.919 3.537 0 40 IHAB O=C(c1ccc(Cl)cc1)N1CCCc2cc(S(=O)(=O)NCc3cccnc3)ccc21 20766355 FTLOONKTPGEVRO-UHFFFAOYSA-N 441.940 3.807 0 40 IHAB Cc1ccc(OCCSc2nc3ccccc3c(=O)n2CCCN2CCOCC2)cc1 21127246 NNGNYQJIBSTAAB-UHFFFAOYSA-N 439.581 3.598 0 40 IHAB CN(Cc1ccc(Br)s1)C(=O)CNC(=O)c1cccc(OC(F)F)c1 21925524 HMHDSNLNOGLUKH-UHFFFAOYSA-N 433.274 3.500 0 40 IHAB O=C(Cc1ccc2c(c1)OCCO2)N1CCN(C(c2ccccc2)c2ccccc2)CC1 22250945 OIGOWBVEINRFKG-UHFFFAOYSA-N 428.532 3.934 0 40 IHAB Cc1ccc(OC[C@@H](C)NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 22341918 HEKQLVPIYRMGHJ-CQSZACIVSA-N 445.368 3.652 0 40 IHAB CCc1ccccc1NC(=O)CN1CCN(Cc2nnc(-c3ccc(Cl)cc3)o2)CC1 22930646 BXGLQRLINBITNJ-UHFFFAOYSA-N 439.947 3.709 0 40 IHAB Cc1ccc(-n2nnnc2S[C@@H](C)C(=O)N(C)CCOc2ccc(Cl)cc2)cc1 23353602 KZMWBKITSMWCTI-HNNXBMFYSA-N 431.949 3.642 0 40 IHAB Cc1cccc(CSCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c1 24606780 WPPAPSIXHDXEKJ-GOSISDBHSA-N 438.640 3.507 0 40 IHAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)N[C@H](c1ccccc1)c1cc2ccccc2o1 24709243 KEHAACORCKCZOE-JOCHJYFZSA-N 431.492 3.893 0 40 IHAB O=C(NCCOc1ccccc1)c1cc(Br)ccc1I 25983469 SKOOFVKDBFUFDE-UHFFFAOYSA-N 446.082 3.863 0 40 IHAB CC(C)OCCCn1c(SCc2nc3ccccc3c(=O)[nH]2)nc2ccccc2c1=O 26234448 MGKOIOIUUZMBAA-UHFFFAOYSA-N 436.537 3.740 0 40 IHAB CCCOc1ccc(C(=O)Nc2nnc(S(=O)(=O)Cc3ccccc3F)s2)cc1 27664702 RZIDWKUHUGSLHX-UHFFFAOYSA-N 435.502 3.692 0 40 IHAB O=C(COc1cccc2nsnc12)Nc1nnc(SCc2ccc(F)cc2)s1 28293259 HZXBNBQJNRGJCW-UHFFFAOYSA-N 433.515 3.992 0 40 IHAB COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H](C(=O)O)[C@@H]2C(=O)c2ccc(F)cc2)cc1 32597758 LZNDVARHFAXPRW-MPGHIAIKSA-N 445.493 3.774 0 40 IHAB COc1ccc(-c2nc3n(n2)[C@H](c2ccc(OC)c(OC)c2)[C@@H]2C(=O)CCC[C@H]2N3)cc1 32818822 QJIHSAQIHXCLAB-VOQZNFBZSA-N 434.496 3.724 0 40 IHAB C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NCCCOc2ccccc2F)cc1 32820337 XNHBRIXNFRBMOJ-QGZVFWFLSA-N 434.533 3.588 0 40 IHAB CN(c1ccccc1C(=O)Nc1ccc2nc(N3CCCC3)sc2c1)S(C)(=O)=O 32900568 STYHDDZEBQTXCN-UHFFFAOYSA-N 430.555 3.545 0 40 IHAB CCn1c(SCC(=O)Nc2nc(C)cs2)nnc1[C@@H](C)NC(=O)c1ccc(C)cc1 33525518 LXNVZWCVEGRNQL-CQSZACIVSA-N 444.586 3.593 0 40 IHAB COc1ccc(S(=O)(=O)NCc2ccccc2-n2ccnc2C)c(Cl)c1Cl 38755848 JHZXUSLABGZPGF-UHFFFAOYSA-N 426.325 3.975 0 40 IHAB Cc1nc(SCC(=O)N(C)C(c2ccccc2)c2ccccc2)sc1CC(N)=O 40025069 NEGFBOOETLWIEJ-UHFFFAOYSA-N 425.579 3.819 0 40 IHAB Cc1ccc(N(CC(=O)Nc2ccc3c(c2)OCO3)S(=O)(=O)c2ccccc2)cc1C 44792131 XTERHQGVCRFJLA-UHFFFAOYSA-N 438.505 3.866 0 40 IHAB CCc1ccc(-c2nn(CC)c(=O)c3c2CCCC3)cc1S(=O)(=O)N1CCC[C@@H](C)C1 46027722 KREHPZBKLYJRRH-QGZVFWFLSA-N 443.613 3.792 0 40 IHAB CCCCCCN(CCN1CCOCC1)C(=O)c1cnn2c(-c3ccccc3)ccnc12 48324694 XUSQJXUXTDTPTA-UHFFFAOYSA-N 435.572 3.751 0 40 IHAB Cc1cc(F)ccc1-n1c(=O)c2sccc2n(CC(=O)Nc2c(C)cccc2C)c1=O 57493442 PGISTXQGKLFTHE-UHFFFAOYSA-N 437.496 3.917 0 40 IHAB O=C(COc1ccccc1C(F)(F)F)Nc1ccc(CC(=O)N2CCSCC2)cc1 58157769 IORJYGPBVAQNAW-UHFFFAOYSA-N 438.471 3.841 0 40 IHAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2sccc2NC(=O)c2cnccn2)CC1 67335835 PBYYOUQSVIMEBR-UHFFFAOYSA-N 441.944 3.715 0 40 IHAB Cc1cccc(-c2c[nH]c([C@H]3CCCN3CCC(=O)N3CCN(c4ccccn4)CC3)n2)c1 72308656 PTRSAVJLTUNFPU-HSZRJFAPSA-N 444.583 3.656 0 40 IHAB COc1cccc(CN2CCN(C)C(=O)[C@@H]2Cc2cccc(-c3ccncc3)c2)c1OC 72351668 VWPZOIXXVZOUKR-QHCPKHFHSA-N 431.536 3.651 0 40 IHAB COc1cccc(-c2cncc([C@@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)n2)c1 72359486 PVYXMKSTXPTQNI-QGZVFWFLSA-N 427.501 3.860 0 40 IHAB CCOC(=O)C1(Cc2cc(-c3ccc(F)cc3)no2)CCN(C(=O)c2cccnc2)CC1 72393991 LUIHBDLMBAFPGU-UHFFFAOYSA-N 437.471 3.904 0 40 IHAB O=C(Nc1cccc(Br)c1)c1nnn(-c2ccc(OC(F)(F)F)cc2)n1 77100446 TZMPGLIJAWOSOP-UHFFFAOYSA-N 428.168 3.576 0 40 IHAB CON(C)S(=O)(=O)c1ccc(C(=O)N(c2ccc3c(c2)OCO3)C2CCCCC2)cc1 89364942 XHTHGLWBVPKKOG-UHFFFAOYSA-N 446.525 3.577 0 40 IHAB COC(=O)C[C@H](c1ccc(O)c(OC)c1)c1c(O)n[nH]c1Cc1cc(F)c(F)cc1F 96231490 XHCQFDPQPAKVID-GFCCVEGCSA-N 436.386 3.533 0 40 IHAB O=C(Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2ccccc21)Nc1cccc(F)c1 139348113 DFSJVOJCOJTLEP-UHFFFAOYSA-N 437.858 3.643 0 40 IHAB COc1ccc([C@@H](CC(C)C)NC(=O)[C@@H](C)N(c2ccccc2F)S(C)(=O)=O)cc1 220317825 JOBHHVSUIUJNOA-OXQOHEQNSA-N 436.549 3.892 0 40 IHAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1OC 222499807 FVRPWMCKGCWZAM-RXVVDRJESA-N 442.556 3.805 0 40 IHAB COc1ccc(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NCCC(C)C)cc1OC 222732345 LHXAPKSOWIZCDW-IBGZPJMESA-N 426.557 3.826 0 40 IHAB COc1cccc(CN(C(=O)COc2ccc(C)c(C)c2)[C@H](C)C(=O)NCC(C)C)c1 224441427 GRDYXXFCCWANRV-HXUWFJFHSA-N 426.557 3.880 0 40 IHAB O=C(NCc1ccccc1)c1c(NC(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)O)sc2c1CCC2 225763548 YSXAHZNACLAKRF-QGWWYQLQSA-N 436.533 3.628 0 40 IHAB COC(=O)c1cc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)ccc1OC(C)C 225780815 LELSJFSFIPRZMT-UHFFFAOYSA-N 427.497 3.956 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)Nc1c(C)cc(C)cc1C 225816479 IULIOHPTQADTJM-UHFFFAOYSA-N 430.570 3.976 0 40 IHAB CCc1nccn1CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(C)=O)[C@@H]2Cc1ccccc1 257238411 HKWVMNJMIDFHCS-KLWMKENUSA-N 448.611 3.837 0 40 IHAB CC(=O)NC[C@H]1CC[C@H](c2c(C(=O)NCc3noc(C)n3)sc3ccccc32)CC1 257246527 IUMQBNUNKLSHKL-WKILWMFISA-N 426.542 3.933 0 40 IHAB O=C1O[C@@]2(CCCN(Cc3ccnc(N4CCCCC4)n3)CC2)CN1CCc1ccccc1 257301606 RZCVUYIXXHOJKZ-AREMUKBSSA-N 449.599 3.887 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)N2c3ccccc3C[C@@H]2C)C1 260736835 IZDZUFXPFKRRGG-RDJZCZTQSA-N 448.972 3.727 0 40 IHAB O=C(NC1CCCC1)C1=NO[C@@]2(C1)CN(Cc1ccccc1)CC[C@H]2NCc1ccccc1 306136384 PSBPBXABMBDRSF-VPUSJEBWSA-N 446.595 3.625 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1C(=O)N1CCOCC1 408606353 OZKCLCBGKWZENS-UHFFFAOYSA-N 429.325 3.575 0 40 IHAB COc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(NC(=O)C(F)(F)F)cc1 408645949 NRVUGMGMWBVVAK-UHFFFAOYSA-N 430.766 3.645 0 40 IHAB COc1ccc(NC(=O)c2cccc(N3C(=O)[C@@H]4[C@@H]5C[C@H](C=C5C)[C@H]4C3=O)c2)c(OC)c1 408673740 UPKZMLCCRQADPL-UKYAFMKFSA-N 432.476 3.658 0 40 IHAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCC(C)CC3)cc2)cc1 409389353 HGNVZIJFHOODCA-UHFFFAOYSA-N 432.542 3.523 0 40 IHAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)C(=O)N(C)Cc1ccccc1)CC2 568301847 ADYZRCBXTIGIDB-RUZDIDTESA-N 444.531 3.837 0 40 IHAB Cc1nc(CN2C(=O)CC[C@@]23CCCN(c2cc(C(F)(F)F)ncn2)CC3)cs1 585100094 FQNDZHIBRWHPEN-GOSISDBHSA-N 425.480 3.812 0 40 IHAB NC(=O)c1cn(CC(=O)N2CCC[C@H]2c2cccc(Br)c2)c2ccccc12 617136517 DYICYVDCQJFWNL-SFHVURJKSA-N 426.314 3.866 0 40 IHAB O=C(NC[C@@H](O)c1cc(-c2ccco2)cs1)C(=O)Nc1ccc(OC(F)(F)F)cc1 1775968988 QZDZEEBDKYLQIL-CQSZACIVSA-N 440.399 3.695 0 40 IHAB COc1ccc(OC)c(N(CC(=O)Nc2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1 652377 XSGKEOUIHADKJR-UHFFFAOYSA-N 440.521 3.846 0 40 IHAB Cc1ccc(Cn2c(Sc3nc4ccccc4s3)nc3c2c(=O)[nH]c(=O)n3C)cc1 1271264 AGBCGWZNIDJFPL-UHFFFAOYSA-N 435.534 3.541 0 40 IHAB C[C@@H]1CCc2c(sc3nc(SCC(=O)Nc4ccc(N(C)C)cc4)[nH]c(=O)c23)C1 1290709 VUUYEGKPASIUCK-GFCCVEGCSA-N 428.583 3.906 0 40 IHAB CC(C)OCCCn1c(N)c(S(=O)(=O)c2ccc(F)cc2)c2nc3ccccc3nc21 2408313 MZTYLJGHWFPIIF-UHFFFAOYSA-N 442.516 3.954 0 40 IHAB O=C(COC(=O)c1cccc(I)c1)Nc1ccc(Cl)cc1F 3239073 LWSMVHMQSXOHCS-UHFFFAOYSA-N 433.604 3.879 0 40 IHAB CC(C)(C)CC(C)(C)n1c(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n[nH]c1=S 6167979 MLNXCIPTLYPFJB-UHFFFAOYSA-N 438.619 3.800 0 40 IHAB CCN(CC)CCN(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C(=S)NCc1ccco1 6193266 OCGJUYAXIOPSKO-UHFFFAOYSA-N 440.613 3.956 0 40 IHAB COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CCC[C@H](C)C3)cc2c1 6283260 HRASPKUOFAMJDC-AOMKIAJQSA-N 436.560 3.850 0 40 IHAB Cc1cc2cc(CN(CCCO)S(=O)(=O)c3ccc(C)c(Cl)c3)c(=O)[nH]c2cc1C 6407436 WWUVUYMAHFBHBN-UHFFFAOYSA-N 448.972 3.680 0 40 IHAB CCc1nn2c(=O)cc(COC(=O)c3ccccc3NC(=O)C3CCCCC3)nc2s1 8607617 IKLFIGNCTRYFDC-UHFFFAOYSA-N 440.525 3.589 0 40 IHAB Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N3Cc4ccccc4C[C@H]3C(N)=O)cc12 8726327 HPIOKCCKHTWCQF-IBGZPJMESA-N 434.496 3.587 0 40 IHAB COc1ccc(C(=O)Nc2ccccc2F)cc1S(=O)(=O)N(C)Cc1ccccc1 8766827 NKIKAZBHXVVDDI-UHFFFAOYSA-N 428.485 3.907 0 40 IHAB COc1ccc(-c2noc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)n2)cc1OC 8860719 KPMQIAGXRQMVAI-UHFFFAOYSA-N 440.437 3.825 0 40 IHAB O=C(CSc1nc2ccccc2c(=O)n1Cc1ccco1)N1CCC(c2ccccc2)=N1 9011143 MJESPGVOZXZKMD-UHFFFAOYSA-N 444.516 3.767 0 40 IHAB COc1ccc(OC)c(-c2c(C)c3ccc(OC(=O)N4CCOCC4)cc3oc2=O)c1 9043255 UAHSRDKVYWCVKW-UHFFFAOYSA-N 425.437 3.617 0 40 IHAB O=C(Nc1ccccc1C(=O)N1CCOCC1)C1CCN(Cc2cccc(Cl)c2)CC1 9063348 ZUUGZTVRQDSQJD-UHFFFAOYSA-N 441.959 3.663 0 40 IHAB O=C1O[C@@H](c2ccccc2)Cc2cc(C(=O)N3CCN(c4ccccc4O)CC3)ccc21 9338723 NNAAHWNLRFRILO-XMMPIXPASA-N 428.488 3.809 0 40 IHAB Cc1cc(C)c(NC(=O)COC(=O)COc2ccc3c(C)cc(=O)oc3c2)c(Cl)c1 9390592 VQJXJUFFCNYUTB-UHFFFAOYSA-N 429.856 3.932 0 40 IHAB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)O[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C 9466418 YAOXMLAHRDMURR-WIEQDCTASA-N 444.478 3.629 0 40 IHAB CCOc1ccccc1NC(=O)[C@@H](Sc1nnc(C(F)(F)F)n1N)c1ccccc1 9500439 VCKITDYRWPUQDN-HNNXBMFYSA-N 437.447 3.882 0 40 IHAB CC(C)[C@@H](NC(=O)CSc1nnc(C2CC2)n1C1CC1)c1ccc2c(c1)OCCO2 9579826 AMTZXVJPKQKAAQ-HXUWFJFHSA-N 428.558 3.867 0 40 IHAB Cc1ccc(C(=O)CSc2nnc(CCNC(=O)c3ccc(Cl)cc3)n2C)cc1 9582667 CTRCJXFTRJTGNA-UHFFFAOYSA-N 428.945 3.724 0 40 IHAB CS(=O)(=O)c1ccc(-c2cccc(NC(=O)COc3ccc4ccccc4c3)c2)nn1 9626777 DOJJHUMYEQLGCZ-UHFFFAOYSA-N 433.489 3.718 0 40 IHAB Cc1ccccc1N(CC(=O)Nc1ccc(-c2cn3ccsc3n2)cc1)S(C)(=O)=O 9642532 UUCHXHZDGUHLQV-UHFFFAOYSA-N 440.550 3.776 0 40 IHAB Cc1cc(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)c(C)n1CCc1ccc(Cl)cc1 9691078 CXNZNFVKLOFCHC-HSZRJFAPSA-N 427.932 3.904 0 40 IHAB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)c1 9765382 ZZVJFABBRJAYIU-UHFFFAOYSA-N 449.532 3.656 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(NC(=O)c2cccc(OC)c2OC)ccc1Cl 9957212 HBTKDEASEJGXJJ-UHFFFAOYSA-N 426.922 3.640 0 40 IHAB CCCOC(=O)c1cc(NC(=S)NC(=O)c2ccccc2C)ccc1N1CCOCC1 9971587 WNSOBEOAWUQTDR-UHFFFAOYSA-N 441.553 3.525 0 40 IHAB COc1cccc(C(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)c1OC 10499953 MTPLKRSEKKNEMB-UHFFFAOYSA-N 425.510 3.916 0 40 IHAB O=C(c1ccc(F)c(F)c1)N1CCC(Cn2nc(-c3ccc(F)cc3)ccc2=O)CC1 12155983 DHDKURSRHQFBLF-UHFFFAOYSA-N 427.426 3.880 0 40 IHAB CS(=O)(=O)N1CCc2cc(C(=O)N3[C@H]4CC[C@@H]3CC(c3ccc(F)cc3)C4)ccc21 12181119 UZXQNYIHIAWJJJ-VCSGRIEYSA-N 428.529 3.699 0 40 IHAB COc1ccc(NC(=O)Cn2cc(OCc3ccc(F)cc3)c(=O)cc2C)c(OC)c1 12230515 COZNVARTMOESMI-UHFFFAOYSA-N 426.444 3.531 0 40 IHAB Cc1cc(C(F)(F)F)n2nc([C@H]3CCCN(C(=O)c4ccc5c(c4)OCCO5)C3)cc2n1 12257623 GPBNEKAXHJGULJ-HNNXBMFYSA-N 446.429 3.848 0 40 IHAB O=C(NCCc1nc2ccccc2[nH]1)/C(=C/c1ccc(F)cc1)NC(=O)c1ccccc1 12375874 CFHAISRJJOZQNC-JWGURIENSA-N 428.467 3.832 0 40 IHAB COc1ccc(-c2noc(CSc3nc(-c4ccc(F)cc4)cc(=O)[nH]3)n2)c(OC)c1 12415004 WHHHXIJCQUPCCF-UHFFFAOYSA-N 440.456 3.936 0 40 IHAB Cn1ccnc1[C@@H](NC(=O)CSCC(=O)Nc1ccc(F)cc1)c1ccc(Cl)cc1 12507688 PYEUQJNCCBQVKE-FQEVSTJZSA-N 446.935 3.790 0 40 IHAB Cc1ccnc2nc(C(=O)Nc3ncc(Cc4ccc(OC(F)(F)F)cc4)s3)nn12 12765605 WJIBRICJRLSQRO-UHFFFAOYSA-N 434.403 3.631 0 40 IHAB Cc1sc2nc(CS[C@H](C)C(=O)NCCCOCc3ccccc3)[nH]c(=O)c2c1C 12790594 ZBKPHHYZYDRDGM-MRXNPFEDSA-N 445.610 3.946 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(Cc3ccccc3F)C3CC3)CC2)cc1 12804091 YFQFEKAKWWUFFX-UHFFFAOYSA-N 430.545 3.726 0 40 IHAB C[C@@H](NC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1)c1ccccc1Cl 12895832 DHIYKKDCFFBGMA-CYBMUJFWSA-N 427.979 3.615 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4cc(C)ccc4nc3C)CC2)c(C)c1 12995236 PAHLXFUHQWEEKQ-UHFFFAOYSA-N 437.565 3.615 0 40 IHAB CC(C)[C@@H](CNC(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1)N1CCOCC1 12998711 GPMXPDUZMTWNEF-XMMPIXPASA-N 432.568 3.685 0 40 IHAB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N(C)Cc2cccc(F)c2)cc1 13028184 UJOMOOOYYCIXAS-UHFFFAOYSA-N 442.512 3.932 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(NC(=O)CN2CCCc3cc(C)ccc32)ccc1C 13056280 LFXSQFKMLURFQW-UHFFFAOYSA-N 429.586 3.725 0 40 IHAB COCCCn1c(SCC(=O)c2ccc3c(c2)OCCO3)nnc1-c1ccoc1C 13512608 MZKVNYXJUDFXPT-UHFFFAOYSA-N 429.498 3.629 0 40 IHAB CC(=O)NCc1ccc(C(=O)Cn2cnc3sc(-c4ccccc4)c(C)c3c2=O)cc1 14139152 JCRLFTGMMOXOSZ-UHFFFAOYSA-N 431.517 3.952 0 40 IHAB O=C(Nc1ccc2ccccc2c1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 14429182 BZLMRSDNMRPFAU-UHFFFAOYSA-N 430.913 3.766 0 40 IHAB CCOC(=O)c1sc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)nc1C 14866195 PTZFAYBEDPHZJB-CQSZACIVSA-N 435.933 3.773 0 40 IHAB C[C@@H]1S[C@@]2(C(=O)N(CN3CCCCC3)c3ccccc32)N(c2ccc(F)cc2)C1=O 16608104 NUWAGMDIMPIDLW-HJPURHCSSA-N 425.529 3.937 0 40 IHAB CC(C)c1ccc(CN2CCC[C@@H](c3nc4c(c(=O)[nH]3)CN(C(=O)C3CC3)CC4)C2)cc1 19453226 YEIHPWDNGDZJLO-OAQYLSRUSA-N 434.584 3.568 0 40 IHAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCN(S(=O)(=O)c4ccc(F)cc4)C3)cc2N1 19520808 OBBBISDYPMHEQB-DXCKQFNASA-N 446.470 3.898 0 40 IHAB CCNC(=O)[C@]1(Cc2cccc(-c3ccc(C)cc3)c2)CCN(C(=O)c2cnccn2)C1 19529101 XOFBTLARPQRFQK-SANMLTNESA-N 428.536 3.663 0 40 IHAB Cc1cc(C)n(C)c(=O)c1C(=O)N1CCC[C@@H](c2cc(C(F)(F)F)c3c(C)noc3n2)C1 19572128 BLBBISOYMGRFIZ-CQSZACIVSA-N 448.445 3.885 0 40 IHAB CNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)c2ccccc2OC)C1 19591204 QXHRFOSKVJTCBO-HHHXNRCGSA-N 443.547 3.968 0 40 IHAB CNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CN(C(=O)CC2CCCCC2)CCO1 19591810 PNGIUDOFOHNLRC-AREMUKBSSA-N 435.568 3.605 0 40 IHAB COc1cccc(-c2nc(C(=O)NCc3ccc4c(c3)OCO4)nn2-c2ccccc2)c1 19625157 LOQIYZMNYNWFRZ-UHFFFAOYSA-N 428.448 3.602 0 40 IHAB COc1ccc(CN2CC[C@H](c3c(C(N)=O)sc4ncccc34)C2)cc1Cn1cccn1 19702231 QKEKEPHNPSVQIM-KRWDZBQOSA-N 447.564 3.638 0 40 IHAB CNc1nc([C@H]2CCCN(C)C2)nc2c1CCN(C(=O)c1cc(C3CCCCC3)no1)C2 19708801 HUMMKJCAHVEHAW-KRWDZBQOSA-N 438.576 3.562 0 40 IHAB C[C@@H](NC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1)c1ccc(Cl)cc1 20019267 XBUWFKQEXBAYAW-OAHLLOKOSA-N 436.961 3.817 0 40 IHAB COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccccc1OC(F)F 20133592 ZDQDGUZXSPZLSX-GOSISDBHSA-N 427.411 3.816 0 40 IHAB CC(C)Oc1cccc(CCCNC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)c1 22330511 DQKCUYLAGFIIKO-UHFFFAOYSA-N 438.977 3.642 0 40 IHAB CC(=O)N(c1nc(COC(=O)c2cnn(-c3ccccc3)n2)cs1)c1ccccc1F 23075337 XAOQLIPQFUHAKH-UHFFFAOYSA-N 437.456 3.905 0 40 IHAB O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)Nc1ccc(CN2CCOCC2)cc1 23908127 VQQWCOXRDFCYLN-UHFFFAOYSA-N 449.580 3.708 0 40 IHAB O=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CCN(Cc2nc3ccccc3s2)CC1 24002151 XMDCXZIAPHDXHV-HXUWFJFHSA-N 437.565 3.812 0 40 IHAB C[C@H](Sc1nnc2ccc(C(F)(F)F)cn12)C(=O)N1CCN(Cc2ccccc2)CC1 24142292 WRKVLZQRLXMWRW-HNNXBMFYSA-N 449.502 3.573 0 40 IHAB O=C(CSCc1nc2ccccc2s1)NCc1ccccc1CN1CCOCC1 24379416 CYVHKPOGJBZLBO-UHFFFAOYSA-N 427.595 3.678 0 40 IHAB O=C(Nc1ccccc1F)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 24613535 WHPYSYKSQXEGTI-UHFFFAOYSA-N 428.888 3.799 0 40 IHAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCN(C(C)C)C(C)C)ccc2C)c1 24865337 WXGYTRBPMXQJHO-UHFFFAOYSA-N 431.602 3.953 0 40 IHAB COc1cc(OC)c(OC)cc1CNC(=O)CSc1nccn1-c1cc(C)cc(C)c1 24989264 UUDRXANBTIRIOB-UHFFFAOYSA-N 441.553 3.923 0 40 IHAB Cc1cccc(N2CCN(CC(=O)NC[C@H](c3ccccc3Cl)N3CCCC3)CC2)c1 29801910 TVALCHFFFCZIOG-XMMPIXPASA-N 441.019 3.724 0 40 IHAB COc1ccc(C(=O)NC[C@@H]2C=C(C)[C@H](CC(=O)N3CCOCC3)C[C@H]2C(C)C)cc1 30881001 ZDCVMSCWHUBCAI-FUDKSRODSA-N 428.573 3.529 0 40 IHAB biogenic,in-vitro CC1CCN([C@H](CNC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)c2cccs2)CC1 31487277 RVINQOYUAJDLSW-DLBGWLJESA-N 443.657 3.970 0 40 IHAB CC(=O)c1cccc(N2C(SCc3cccc(Cl)c3)=N[C@H]3CS(=O)(=O)C[C@@H]32)c1 32640977 ORAWHSRMVDWCLM-OALUTQOASA-N 434.970 3.818 0 40 IHAB Cc1ccc(C)c(C(=O)[C@H](C)OC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)c1 32776953 MOZZAILXTVEFQQ-IRXDYDNUSA-N 435.567 3.580 0 40 IHAB O=C1C[C@H](C(=O)N(Cc2c(F)cccc2Cl)C2CC2)CN1c1ccc2c(c1)OCCO2 32880009 RUDBBALURZEVMI-AWEZNQCLSA-N 444.890 3.794 0 40 IHAB COc1ccc(NC(=O)CSCC(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 32972106 LPFXYWAJHSVNGD-UHFFFAOYSA-N 441.553 3.632 0 40 IHAB COc1c(C(=O)NC(C)C)cn(C)c1-c1nc2cc(NC(=O)c3ccccc3)ccc2n1C 36369921 JEGKNCPQVVNRLL-UHFFFAOYSA-N 445.523 3.978 0 40 IHAB biogenic CCN(CC(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1cc(F)ccc1OC 39986334 SMRYESOBALUQDU-UHFFFAOYSA-N 434.411 3.502 0 40 IHAB COC(=O)CN(Cc1ccc(Cl)cc1)Cn1nc(-c2ccc3c(c2)OCO3)oc1=S 40149121 AOZBXHDIBHBBAW-UHFFFAOYSA-N 447.900 3.887 0 40 IHAB CC(C)n1ncc2cc(NC(=O)N3CCC(NC(=O)Nc4ccc(F)cc4)CC3)cnc21 48300829 PLFDOROETAJRRR-UHFFFAOYSA-N 439.495 3.969 0 40 IHAB COC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)CN1CCN(c2ccc(F)cc2)CC1 57462933 YBOJJWUGPSXELA-UHFFFAOYSA-N 444.894 3.508 0 40 IHAB COc1ccc(-c2noc(-c3cccn3CC(=O)NCc3ccccc3F)n2)cc1OC 57487213 PAIMFRYCNGFIAZ-UHFFFAOYSA-N 436.443 3.678 0 40 IHAB CNC(=O)c1ccc(CN(Cc2ccco2)C(=O)c2cc3c(OC)c(OC)ccc3[nH]2)cc1 58007297 IKALUULRXJLVJZ-UHFFFAOYSA-N 447.491 3.980 0 40 IHAB COc1cccc(NC(=O)C2CCN(c3ccc4nnc(-c5ccccc5)n4n3)CC2)c1 61719949 QVVKBIMVRCFVGC-UHFFFAOYSA-N 428.496 3.655 0 40 IHAB CCN(CC)CCOc1ccccc1NC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 65610870 RBAGLRHIGYSJDL-NHCUHLMSSA-N 446.636 3.760 0 40 IHAB CC(C)Cc1nnc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2Cl)s1 71279331 CUEVGCHQBKXHPS-UHFFFAOYSA-N 428.967 3.572 0 40 IHAB OCCN(CCO)c1nc(CSc2ccc(Cl)cc2)nc2sc3c(c12)CCC3 72301709 OFFVPZIZWSVNMW-UHFFFAOYSA-N 436.002 3.917 0 40 IHAB Cc1cc(Nc2cnccn2)cc([C@H]2CCCN(S(=O)(=O)c3ccc(F)c(C)c3)C2)n1 72375025 JSIRJSLMPYOGNZ-KRWDZBQOSA-N 441.532 3.939 0 40 IHAB CCOC(=O)Cc1csc(NC(=O)c2cn(CCC(C)C)c(=O)c3ccccc23)n1 72402368 UVDGDOOIYBRHBN-UHFFFAOYSA-N 427.526 3.862 0 40 IHAB COC(=O)[C@@H]1Oc2cc(C)oc(=O)c2[C@H]1c1ccc(OC)c(OCc2cccc(F)c2)c1 96335787 BJGGZUGHBCPIOT-IFMALSPDSA-N 440.423 3.741 0 40 IHAB O=C(Cc1ccccc1Br)N1CCN(c2cc(-c3ccc(F)cc3)n[nH]2)CC1 98211783 GXXBWNCXNBQTNP-UHFFFAOYSA-N 443.320 3.870 0 40 IHAB COCCCNC(=O)/C(=C\C1=Cc2ccccc2O[C@H]1C)NC(=O)c1ccc(Cl)cc1 102617314 BNNICPWVSFNDME-WASCAKKMSA-N 440.927 3.971 0 40 IHAB CC(=O)Nc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4F)C(=O)[C@@H]3ON2c2ccccc2)cc1 102759234 IZFKBBWLZQVYJB-XPWALMASSA-N 445.450 3.835 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(F)c2)c2ccc(C)cc2)cc1 113933753 ARJYHRUGDHDTGM-UHFFFAOYSA-N 428.485 3.977 0 40 IHAB CC(=O)O[C@H]1C[C@@H]2[C@H](C[C@@H](OC(C)=O)[C@]3(C)CC[C@H](OC(C)=O)[C@@H]23)[C@@]2(C)CCC(=O)C[C@H]12 123379961 AEBGBTLRZFVRJG-GASUFKLJSA-N 448.556 3.613 0 40 IHAB Cc1cccc(N([C@@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)S(C)(=O)=O)c1 220149766 WCXJKZSEKNQRFY-FXAWDEMLSA-N 430.570 3.877 0 40 IHAB COc1cccc(N(C)C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4ccccc4c3)C2)c1 222555440 YPQZIFDYNPIDKX-HXUWFJFHSA-N 438.549 3.912 0 40 IHAB CN(c1ccc(OCC(=O)Nc2ccc(Br)c(Cl)c2)cc1)S(C)(=O)=O 223979845 KRGKRGFQVHPPNM-UHFFFAOYSA-N 447.738 3.516 0 40 IHAB COc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c1 224573693 GGERQTGDXMLWRG-UHFFFAOYSA-N 430.457 3.653 0 40 IHAB CC(C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc2c(c1)OCO2 224641135 XEMKUQYFHAVGMH-MRXNPFEDSA-N 430.932 3.943 0 40 IHAB Cc1cccc(-c2n[nH]cc2C(=O)NC2CCN(c3nc(C)nc4c3CCCC4)CC2)c1 238963944 YTTJVIUQOFBMBM-UHFFFAOYSA-N 430.556 3.761 0 40 IHAB COc1ccc(-c2cc(C)nc([C@@H]3CCCN(S(=O)(=O)c4cnn(C)c4C)C3)c2)cc1 257207255 BHACFPNJHKKFLT-LJQANCHMSA-N 440.569 3.676 0 40 IHAB O=C(c1ccccc1Cn1cccn1)N1CCOC[C@@H](Cc2ccc3ccncc3c2)C1 257279275 OFWBKAMSBSBLMT-NRFANRHFSA-N 426.520 3.811 0 40 IHAB Cc1ccn2c(CN3CCO[C@H](c4cc(CCOc5ccccc5)n(C)n4)C3)c(C)nc2c1 257316299 VEZDQQQOKFXLDU-VWLOTQADSA-N 445.567 3.880 0 40 IHAB COc1ccc(OC)c(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)c1 408559465 VOVYMZHHDQXDEW-UHFFFAOYSA-N 432.542 3.829 0 40 IHAB Cc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@@H]3CC[C@H](C)C[C@H]3C2=O)c1 408660461 LOAFARUSGIAFMS-CWFSZBLJSA-N 434.492 3.716 0 40 IHAB Cc1cc(Br)ccc1NC(=O)C[C@@H]1C(=O)OCN1C(=O)OCc1ccccc1 408737894 PSOKOGOKAHYVSX-QGZVFWFLSA-N 447.285 3.608 0 40 IHAB COc1ccccc1CNC(=O)c1ccc(CN2CCN(c3ccccc3OC)CC2)cc1 408862466 ZDJNDCNTDQFORA-UHFFFAOYSA-N 445.563 3.956 0 40 IHAB CCOc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(C)cc3)[C@H]2c2ccc(C)cc2)cc1 409058181 IWPDYVMYIKRHKS-DLPRSZHDSA-O 442.539 3.718 0 40 IHAB CC(C)c1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2)cc1 409058815 LJMYQGFEORIDKY-GXTRAYHQSA-O 430.503 3.965 0 40 IHAB COCCN1C(=O)S/C(=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)C1=O 409135991 XFSASISAOVNXGI-XDHOZWIPSA-N 443.477 3.655 0 40 IHAB O=C(c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)N1CCC[C@H]1[C@@H]1CCCOC1 1630904164 BCEBCNTWLTUIBB-UZLBHIALSA-N 440.993 3.546 0 40 IHAB C=CC(=O)N1CCC(C(=O)Nc2cc(Br)ccc2O)(c2ccccc2)CC1 1637893601 PLVUCXFEALWQHK-UHFFFAOYSA-N 429.314 3.840 0 40 IHAB CC(=O)N1CCN(c2cccc(NC(=O)N3CCc4cc(C(F)(F)F)ccc4C3)c2)CC1 1668875742 PDAGXMFFQUIPLC-UHFFFAOYSA-N 446.473 3.964 0 40 IHAB O=C(CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)Nc1cc(C(F)(F)F)ccc1Cl 1888930446 LPLNVJYWVGJWGC-OLZOCXBDSA-N 425.838 3.578 0 40 IHAB CC(C)c1cnc(Nc2cccc(C3CCN(S(=O)(=O)c4cn(C)cn4)CC3)n2)s1 2037835834 AYFCXVSHWVJDLI-UHFFFAOYSA-N 446.602 3.707 0 40 IHAB COc1ccc(Cl)cc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 867172 FIQDCVJZIJRGRI-LJQANCHMSA-N 431.876 3.632 0 40 IHAB COc1ccc2nc(SCC(=O)Nc3cc(OC)c(OC)cc3C(=O)O)c(C)cc2c1 933004 QBEHMLGYUMXETA-UHFFFAOYSA-N 442.493 3.998 0 40 IHAB CCN(CC)CCCNc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCC3 2377248 AUAKYKDIHOZETE-UHFFFAOYSA-N 440.617 3.709 0 40 IHAB O=C(OCc1nc2ccccc2s1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 3313535 LCFTVIWAOMNTOV-INIZCTEOSA-N 436.942 3.846 0 40 IHAB CN(CC(=O)Nc1ccc(Cl)cc1)[C@H]1CCCCN(C(=O)c2ccc(F)cc2)C1=O 3382205 IHVRABSMXRUNEH-IBGZPJMESA-N 431.895 3.571 0 40 IHAB CCOC(=O)c1c(NC(=O)CN(C)CC(=O)Nc2c(C)cccc2C)sc2c1CCC2 3399871 YYTNDYUYRNIBIH-UHFFFAOYSA-N 443.569 3.539 0 40 IHAB Cc1nnc(SCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)n1C1CCCCC1 4925040 SJNAKHJVGTXCOF-UHFFFAOYSA-N 431.606 3.978 0 40 IHAB O=C(c1cnccn1)N1C[C@@H]2C[C@H](C1)c1ccc(-c3cccc(C(F)(F)F)c3)c(=O)n1C2 8300264 MSLXWMJIJVZWJE-GOEBONIOSA-N 440.425 3.584 0 40 IHAB biogenic,in-vitro O=C(Nc1nc2ccc(Cl)cc2s1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 8965675 PAYJFBLDWIEPNK-NSHDSACASA-N 429.885 3.713 0 40 IHAB CC1CCN(c2ccc(NC(=O)CN(C)Cc3ccccc3N3CCOCC3)cc2)CC1 9204917 ZVYQCMUGTGJQPA-UHFFFAOYSA-N 436.600 3.830 0 40 IHAB O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)N1CCC[C@H]1c1nc2ccccc2s1 9256460 APCBZVXBBXNCGL-KRWDZBQOSA-N 449.985 3.982 0 40 IHAB O=C1CCc2cc(S(=O)(=O)N3CCC[C@H](c4nc5ccccc5s4)C3)ccc2N1 9257252 QTWXOHJPJMAYDQ-HNNXBMFYSA-N 427.551 3.749 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(NC(=O)CSc2nc3cc(C)ccc3[nH]2)ccc1C 9335403 AMHMUZVJEBHVOF-UHFFFAOYSA-N 446.598 3.941 0 40 IHAB CCN1C[C@@H](CN(C)C(=O)c2ccc(Cn3nnc4ccccc43)cc2)Oc2ccccc21 9468522 ICVIHDMKNFCRGZ-OAQYLSRUSA-N 441.535 3.839 0 40 IHAB O=C(NCCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1ccccc1Cl 9512189 LJXFEBVWMCOVPY-LJQANCHMSA-N 428.916 3.985 0 40 IHAB CCN(C(=O)CN(Cc1ccco1)S(=O)(=O)c1ccc(OC)cc1)C1CCCCC1 9544845 NLPYYNLGLJXLNK-UHFFFAOYSA-N 434.558 3.660 0 40 IHAB COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](c1cccc2ccccc12)N(C)C 10333778 OMPKBZHWNKFAHG-FQEVSTJZSA-N 425.916 3.859 0 40 IHAB Cc1nc(-c2cccc(NC(=O)COC(=O)c3ccc(Cn4cncn4)cc3)c2)cs1 10655856 HSRPIIYJIDLRLC-UHFFFAOYSA-N 433.493 3.554 0 40 IHAB COc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc(Br)c(C)c2)cc1OC 10869119 YYTVONTTXNBZEG-WEVVVXLNSA-N 434.286 3.970 0 40 IHAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccc(I)cc1 11083203 SJLFGOFVJBQXMS-UHFFFAOYSA-N 431.277 3.808 0 40 IHAB CSCc1nc2sc(C(=O)NCc3ccc(OC(F)F)cc3)c(C)c2c(=O)[nH]1 11508536 OVETYFYBJKSBNA-UHFFFAOYSA-N 425.482 3.687 0 40 IHAB COc1ccc2cc(C(=O)N3CCC(O)(Cn4ccc5ccncc54)CC3)c(C)nc2c1 12222767 BNWOCDSGNDGNBN-UHFFFAOYSA-N 430.508 3.569 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CCOc1ccccc1CCCNC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O 13672921 DKCHAXCQWGKVLN-UHFFFAOYSA-N 438.977 3.562 0 40 IHAB O=C(Nc1ccc(F)cc1)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 13682923 BCNWKGBADWEQLZ-OAQYLSRUSA-N 426.469 3.562 0 40 IHAB CN(CC(=O)Nc1ccccc1OC(F)(F)F)S(=O)(=O)c1ccc2ccccc2c1 14188830 KISADYOLEYUPSI-UHFFFAOYSA-N 438.427 3.998 0 40 IHAB O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)N(Cc1ccccc1)Cc1ccco1 14230207 STABJOMBVGYWEJ-SANMLTNESA-N 443.503 3.592 0 40 IHAB CC(C)[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1nc(-c2ccccc2)cs1 14231254 MDLPSDQQUMCFPD-GOSISDBHSA-N 433.530 3.891 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)NCCC)c2)cc1 14291972 KOTDUNJUOPUQSU-UHFFFAOYSA-N 448.541 3.593 0 40 IHAB C[C@@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)N1CCC(Cc2ccccc2)CC1 16045384 ZWJFFQSEQWJLSV-HNNXBMFYSA-N 433.474 3.502 0 40 IHAB COc1ccc(N(CC(=O)N2CCc3ccccc32)S(=O)(=O)c2cccs2)cc1 16695234 RDBQVYBINLBOQS-UHFFFAOYSA-N 428.535 3.541 0 40 IHAB CCOc1ccc(-c2noc(CSc3nc4ccsc4c(=O)n3CCOC)n2)cc1 16845806 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O=C(CCC(=O)c1ccc(Cl)s1)NCc1ccc(S(=O)(=O)N2CCCC2)s1 25446664 PEEBGNZUOVQLTQ-UHFFFAOYSA-N 447.003 3.527 0 40 IHAB O=C(C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1)N1CCCCCC1 26109116 PFQFLMNLFSJABU-UHFFFAOYSA-N 433.401 3.938 0 40 IHAB COc1ccc(CNC(=O)Cn2nc(C(F)(F)F)c(Br)c2C2CC2)cc1 27937547 LIAVTIHEZQWEKW-UHFFFAOYSA-N 432.240 3.867 0 40 IHAB CS(=O)(=O)c1ccc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)cc1 29076270 QBGVRQFUDMDEGB-UHFFFAOYSA-N 426.416 3.710 0 40 IHAB CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C(F)(F)F)C2)c(Br)c1 32770630 UGEGDTRPYXJXLH-LLVKDONJSA-N 444.269 3.589 0 40 IHAB COc1ccc(C)cc1CSCC(=O)Nc1cc(S(=O)(=O)N(C)C)cc(C)c1C 32909477 YNKNPKBSISXTTB-UHFFFAOYSA-N 436.599 3.743 0 40 IHAB CCCn1nc2c(c(C(F)F)cc(=O)n2CCC(=O)Nc2nn(C)c(C)c2Cl)c1C 36621529 XGIMBQZALHQZST-UHFFFAOYSA-N 440.882 3.578 0 40 IHAB O=C(Nc1nnc(C2CC2)s1)N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 40119129 WXFOHMQVGUSSEB-CQSZACIVSA-N 439.463 3.920 0 40 IHAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1csc(-c2cnn(C)c2)n1 40143061 ZNYWSKMTKULKDI-UHFFFAOYSA-N 426.420 3.840 0 40 IHAB COc1cccc(-c2cc(=O)n3c4ccccc4n(CC(=O)N(C)c4ccccc4)c3n2)c1 40484904 UMISIRBMLVKKSF-UHFFFAOYSA-N 438.487 3.988 0 40 IHAB CCc1ccc(NC(=O)Cn2nc3cc(C)nc(Nc4ccc(C)c(F)c4)n3c2=O)cc1 49410757 AWCQAYZVLVKOQE-UHFFFAOYSA-N 434.475 3.592 0 40 IHAB CCOc1ccc2c(c1)C=C(C(=O)Oc1ccccc1S(=O)(=O)C(F)(F)F)CO2 58175124 BORYTGBFTQKZQQ-UHFFFAOYSA-N 428.384 3.760 0 40 IHAB O=S1(=O)CC[C@@H](Cc2nc3ccccc3n2C[C@H](O)c2ccccc2C(F)(F)F)C1 58402515 PJLMCMOPZZEENE-LIRRHRJNSA-N 438.471 3.766 0 40 IHAB CCOc1ccc(-c2cc3c(=O)n(CCC(=O)NCc4ccc(CC)cc4)ccn3n2)cc1 67261170 AKKOYGNUNLLMMJ-UHFFFAOYSA-N 444.535 3.831 0 40 IHAB COc1cccc(C(=O)N2CCNC(=O)[C@@H]2Cc2cccc(-c3ccccc3C)c2)c1OC 72351916 UFEKXOCDUAXCIY-QHCPKHFHSA-N 444.531 3.863 0 40 IHAB NC(=O)c1sc2ccccc2c1C[C@@H]1CCCCN1C(=O)c1cc(C(F)(F)F)[nH]n1 72370475 LNYXFQRYUGKDJW-NSHDSACASA-N 436.459 3.980 0 40 IHAB CCOc1ncc([C@]2(O)CC[C@H]3CN(Cc4cc(C)c(OC)cc4C)C[C@H]32)c(OCC)n1 72392651 RRSZFPAGRFVIDJ-NXQMDHLFSA-N 441.572 3.629 0 40 IHAB CCNC(=O)C1(NCC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)CCCCC1 79023301 KPVGSTSNUIGLFH-QGZVFWFLSA-N 444.626 3.916 0 40 IHAB Cc1cc(N2CCN(C(=O)Nc3cccc(Cn4nc(C)nc4C)c3)CC2)nc(C(C)C)n1 84111513 YKLJGNWQNVTQCD-UHFFFAOYSA-N 448.575 3.519 0 40 IHAB CCOC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N(CC)C(=O)[C@@H](C)S(=O)(=O)C(C)C 89960795 JKSPPFLYESLBCL-WBMJQRKESA-N 438.373 3.658 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)c2ccc(F)cc2)cc1 100402408 WVXDJDMIWVEISM-DRSNIGMVSA-N 446.544 3.725 0 40 IHAB C[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 100626871 JLASOBDJYBSCOP-OZQHCQBDSA-N 428.554 3.938 0 40 IHAB CC[C@]1(C)c2sc(=O)[nH]c2S[C@@H]2[C@H]3C[C@@H]([C@H]4C(=O)N(c5ccc(F)cc5)C(=O)[C@H]34)[C@@H]21 101261843 HYDGNKXEKCMXEV-SFDUVXQCSA-N 444.553 3.789 0 40 IHAB O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1 103025277 VTMPJOZZRFSPMF-RTBURBONSA-N 443.455 3.707 0 40 IHAB CCCNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)C1 165658768 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438.977 3.921 0 40 IHAB C[C@@]1(O)C[C@H](c2ccccc2)C[C@H](O)CCC[C@H]1CNC(=O)c1cccc(C(=O)O)c1 257298136 RKISPMOEFOYNGY-WTEVXDJOSA-N 425.525 3.591 0 40 IHAB CCCNC(=O)CCc1c(C)nc2cc([C@@H]3CCCN3C(=O)[C@H]3CC=CCC3)nn2c1C 257304285 SKWMFVZGAXZZJR-UGKGYDQZSA-N 437.588 3.825 0 40 IHAB CCOc1ccc(N([C@H](CC)C(=O)N[C@H](C)c2ccc(OC)cc2)S(C)(=O)=O)cc1 260591981 ONCAMJVCGPMNFI-IIBYNOLFSA-N 434.558 3.516 0 40 IHAB CC[C@H](NC(=O)[C@H]1CN(S(=O)(=O)CC)c2ccccc2O1)c1ccc2c(c1)CCCC2 260953256 ZQRWEPUVHZXMSK-NZQKXSOJSA-N 442.581 3.750 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc(C(C)=O)c3)C2)cc1C 408557989 PNWDSHZISMSYOG-LJQANCHMSA-N 444.553 3.636 0 40 IHAB CCN(CC)C(=O)C(=O)c1cn(CC(=O)Nc2cc(C)c(OC)cc2C)c2ccccc12 408571145 NUPPKXMCQHBPHR-UHFFFAOYSA-N 435.524 3.957 0 40 IHAB O=C(NCc1ccc(F)cc1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 408614822 ILYXXKCBTJMVDI-KRWDZBQOSA-N 449.457 3.886 0 40 IHAB O=C(Nc1ccccc1C(=O)O)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 408840262 CZDPCMYQANSEEV-UHFFFAOYSA-N 429.520 3.955 0 40 IHAB Cc1ccc([C@@H]2[C@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccc(Cl)cc2)cc1 409052406 DRCOGQVBNAJHDZ-NGTVUAHZSA-O 436.894 3.804 0 40 IHAB Cc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccccc3C)[C@@H]2c2ccc(Cl)cc2)cc1 409066970 IMQXXNUNXUZECV-LMOLPZMTSA-O 432.931 3.973 0 40 IHAB Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(OC(C)C)cc2)C1 409137456 WMVSRDILZBZFKN-MRXNPFEDSA-N 444.915 3.970 0 40 IHAB O=C(CCc1ccnc2ccccc12)NCCCNC(=O)CCc1ccnc2ccccc12 553180214 QCMOIMAKONUPGU-UHFFFAOYSA-N 440.547 3.971 0 40 IHAB C[C@H](O)CN(Cc1ccccc1)C(=O)C(=O)N[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 568130128 JHEDNEXFNFBXRZ-ORYQWCPZSA-N 448.485 3.867 0 40 IHAB COc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C([C@@H](C)O)(c4ccccc43)[C@H]2C1=O 849886 JSQDKYULULSUCM-VTBUWRQFSA-N 425.484 3.627 0 40 IHAB C[C@@H](OC(=O)CNC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1 1931552 GNPMGNCZYUPVLL-SNVBAGLBSA-N 429.687 3.947 0 40 IHAB COc1ccccc1CN1CN(S(=O)(=O)c2cccs2)c2nc3ccccc3nc21 2403999 UGZNNDSFLBVBGY-UHFFFAOYSA-N 438.534 3.873 0 40 IHAB CC(=O)Nc1ccc(OS(=O)(=O)C(F)(F)C(F)(F)OC(Cl)(Cl)Cl)cc1 3097883 NQYDDBVOBBJPHD-UHFFFAOYSA-N 448.605 3.884 0 40 IHAB COCCCNC(=S)N(Cc1cccs1)Cc1cc2ccc(OC)cc2[nH]c1=O 6238970 PEESWIKPQGNGQB-UHFFFAOYSA-N 431.583 3.511 0 40 IHAB CCn1c2ccccc2c2nnc(SCC(=O)Nc3ccccc3C(=O)NC3CC3)nc21 8780030 SQWIHHYSGXMDST-UHFFFAOYSA-N 446.536 3.622 0 40 IHAB CCc1ccc2occ(CC(=O)N(Cc3ccc(F)cc3)[C@H]3CCS(=O)(=O)C3)c2c1 8869311 KZKVYOMONWRLPF-FQEVSTJZSA-N 429.513 3.893 0 40 IHAB CCN(C(=O)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(C)C)[C@H]1CCS(=O)(=O)C1 9222888 RWKHSDLJHBLYRL-XJKSGUPXSA-N 440.915 3.831 0 40 IHAB COc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2cccc(Cl)c2C)cc1 9236789 XKNYSKAAZPANQM-QZTJIDSGSA-N 429.933 3.955 0 40 IHAB Cc1ccc(-n2c(SCC(=O)Nc3ccc4cn[nH]c4c3)nnc2-c2cnccn2)cc1 9243141 QJUMXLGBGUIVBG-UHFFFAOYSA-N 442.508 3.640 0 40 IHAB O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1F)NCCc1ccccc1 9544353 RKJKFLWJBVFFBS-UHFFFAOYSA-N 444.503 3.515 0 40 IHAB O=C(NCc1nnnn1-c1ccc(Cl)cc1)c1cc(Br)ccc1Cl 9570742 IKQIGJADBIJONV-UHFFFAOYSA-N 427.089 3.662 0 40 IHAB Cc1ccccc1NC(=O)CSc1ncc(S(=O)(=O)c2ccc(Cl)cc2)c(O)n1 9909001 SJORDMJDMOEXCL-UHFFFAOYSA-N 449.941 3.708 0 40 IHAB COc1ccc(CNC(=O)c2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1OC 9983130 BETPPXISVWYEOG-UHFFFAOYSA-N 440.521 3.743 0 40 IHAB O=C(Nc1ccc2ncsc2c1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 10217407 ITGABHAXRZFKQT-GFCCVEGCSA-N 427.960 3.803 0 40 IHAB CCCCc1ccc(NC(=O)Cn2cc(OC)c(=O)cc2CSc2ncccn2)cc1 10254905 ADGMFYFRQYCGSO-UHFFFAOYSA-N 438.553 3.921 0 40 IHAB CC(C)OCCCNC(=O)CN1c2ccc(C(C)C)cc2-c2ccccc2S1(=O)=O 11120180 PMBBMNRIUFBJID-UHFFFAOYSA-N 430.570 3.917 0 40 IHAB Cn1c(=O)c2c(-c3ccc(Br)cc3)c(NCc3ccccc3)oc2n(C)c1=O 11615595 QYPBGANZXXIWNH-UHFFFAOYSA-N 440.297 3.872 0 40 IHAB CCn1c(CN2CCCCCC2=O)nnc1S[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C 12125120 TZVDRCWMPCSWJI-IRXDYDNUSA-N 441.601 3.659 0 40 IHAB Cc1nn(CC(=O)Nc2ccc(C(F)(F)F)cc2)c(=O)c2c1cnn2-c1ccc(F)cc1 12228331 HGLUKJMAZHKHJZ-UHFFFAOYSA-N 445.376 3.687 0 40 IHAB Cc1cccc(-n2c(S[C@@H](C)c3nc(C(C)(C)C)no3)nnc2N2CCOCC2)c1 12527639 FXXKDJCJCKPUQQ-HNNXBMFYSA-N 428.562 3.946 0 40 IHAB COc1cc2c(c(OC)c1OC)-c1ccc(NCC(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 12658099 RCWVBSJVWABCAG-IBGZPJMESA-N 440.540 3.931 0 40 IHAB biogenic COc1ccc(C)cc1CN(C)c1nc(CN2CCOCC2)nc2sc3c(c12)CCC3 12744013 NPUMLHQTYLCCRM-UHFFFAOYSA-N 438.597 3.966 0 40 IHAB CCn1c(SCC(=O)Nc2cc(OC)c(Cl)cc2OC)nc2ccsc2c1=O 12821807 DJRSZWBGFWXQRA-UHFFFAOYSA-N 439.946 3.879 0 40 IHAB CC(C)C[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)NCCCc1ccccc1 13592367 AWUXCZWSTDTHLR-NRFANRHFSA-N 433.556 3.730 0 40 IHAB Cc1nn2c(C)c(C(=O)N3CCN(c4ccccc4)CC3)nnc2c1-c1ccc(F)cc1 13610781 LHJLANXUPCFDKS-UHFFFAOYSA-N 430.487 3.510 0 40 IHAB Cc1ccc(C(=O)Nc2ccc(SCC(=O)Nc3ccc4c(c3)OCCO4)nn2)cc1 13701651 LAJLTWDVSHDGGF-UHFFFAOYSA-N 436.493 3.539 0 40 IHAB COc1ccc(-c2ccc(=O)n(CCCNC(=O)c3ccc(C(F)(F)F)cc3)n2)cc1 13795883 MQMZDNJLNQCTQQ-UHFFFAOYSA-N 431.414 3.758 0 40 IHAB C[C@H](N[C@@H](C)c1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 14118605 LIJXFYIGMRQBPY-STQMWFEESA-N 444.384 3.922 0 40 IHAB COc1ccc(C(=O)Nc2cc(Cl)ccc2N2CCN(C(=O)C(C)C)CC2)c(OC)c1 14291136 ZGNZKQWOKBFIQO-UHFFFAOYSA-N 445.947 3.914 0 40 IHAB Cc1ccc(OCC(=O)Nc2ccc(OCc3cc(=O)n4cc(C)ccc4n3)cc2)cc1 15865511 RIXFSZYXRYYCNC-UHFFFAOYSA-N 429.476 3.908 0 40 IHAB COC(=O)c1ccc(NC(=O)Cn2nc(Cc3ccccc3)n(-n3cccc3)c2=S)cc1 16778191 PHFPATNANULVDC-UHFFFAOYSA-N 447.520 3.543 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccco1 17026572 ZXDORIBGWFFUEN-UHFFFAOYSA-N 426.494 3.990 0 40 IHAB CSc1nc2nc(C)c(CCC(=O)O[C@H](C)C(=O)Nc3ccc(Cl)cc3)c(C)n2n1 17217725 YCMZPKVWOFIHHX-CYBMUJFWSA-N 447.948 3.619 0 40 IHAB COc1ccc(Br)cc1CN(C)C(=O)Cc1cc(OC)c(OC)c(OC)c1 17957636 BDRQQVAGJXUMJI-UHFFFAOYSA-N 438.318 3.685 0 40 IHAB CNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CN(Cc2ccc(C)cc2OC)CCO1 19134085 AYQYUXPWOLHRRH-HHHXNRCGSA-N 445.563 3.625 0 40 IHAB Cc1cccc(-c2ccc(C[C@@]3(C(=O)N(C)C)CN(C(=O)c4cccnc4)CCO3)cc2)c1 19235377 GNEYCCFDLMNUFN-MHZLTWQESA-N 443.547 3.599 0 40 IHAB Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)Oc2cccc(F)c2)cc(=O)[nH]1 19240949 IWWPGLIWRRKWKN-SZNDQCEHSA-N 434.471 3.566 0 40 IHAB CCCNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(C(=O)c2cnccn2)C1 19503555 JFVKAFKIKDOYDY-SANMLTNESA-N 443.551 3.530 0 40 IHAB Cc1nc([C@@H]2CCCCN2C(=O)c2cnn(C)c2)nc2c1CCCN2Cc1ccc(F)cc1 19706110 MGIPBWMKFCMBHD-QFIPXVFZSA-N 448.546 3.978 0 40 IHAB COCCNC(=O)c1cc([C@@H]2CN(Cc3ccc4[nH]ccc4c3)CCO2)nc2ccccc12 19753894 MTXZSKOQMJWLNG-VWLOTQADSA-N 444.535 3.666 0 40 IHAB Cc1nc([C@@H]2CCCCN2C(=O)CCn2c(C(C)C)nc3ccccc32)ncc1C(N)=O 19764545 ZCSHCBUVOFLNHR-FQEVSTJZSA-N 434.544 3.501 0 40 IHAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCc3ccc(OC(C)C)cc3)CC2)cc1 19934473 XJVDRQQSBZAFOT-UHFFFAOYSA-N 444.597 3.640 0 40 IHAB CCn1cc2nc(SCC(=O)Nc3ccc(F)cc3)n(Cc3ccccc3)c(=O)c2n1 20981802 DVUBKRRWSBFXGD-UHFFFAOYSA-N 437.500 3.531 0 40 IHAB Cn1c(SCc2nc(-c3cccc(Cl)c3)no2)nc2cc3c(cc2c1=O)OCO3 21708705 WVBKKSVSABUYNG-UHFFFAOYSA-N 428.857 3.658 0 40 IHAB CCC[C@@H](C)NC(=O)COc1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1 22233257 DAJLGVZKDSUURJ-MRXNPFEDSA-N 438.977 3.990 0 40 IHAB C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCCN(CC(=O)NC(C)(C)C)CC1 23247713 YXENYMQLCKITOR-FQEVSTJZSA-N 436.600 3.603 0 40 IHAB CC(C)(C)c1cccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1 24759035 LYYLPGOZXIPPKA-UHFFFAOYSA-N 440.525 3.592 0 40 IHAB O=C(c1cccs1)c1ccccc1C(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 25008856 SIFGPKOHRILGPG-UHFFFAOYSA-N 440.471 3.856 0 40 IHAB Cc1ccc(NC(=O)[C@@H](C)N(C)Cc2ccc(C(=O)NCC(F)(F)F)cc2)cc1F 27303094 XGSLARCHVYOZOO-CQSZACIVSA-N 425.426 3.885 0 40 IHAB Cc1cccc(NC(=S)NCCN(CCO)C(=S)Nc2cccc(C)c2C)c1C 27525544 HNFKNLKFRWXLCL-UHFFFAOYSA-N 430.643 3.898 0 40 IHAB CN(C)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 28207276 CDUWEFCTNMZQJQ-UHFFFAOYSA-N 426.494 3.747 0 40 IHAB COC(=O)c1cc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)ccc1Cl 31054945 LONRLENJFWYGCH-UHFFFAOYSA-N 436.917 3.554 0 40 IHAB CS(=O)(=O)Nc1ccc(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)o2)cc1 31685349 LIHREFUVUDLAFE-UHFFFAOYSA-N 428.495 3.564 0 40 IHAB O=C(Nc1ccc2oc(=O)ccc2c1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 32096703 WOMYOKFEMWJJHW-CYBMUJFWSA-N 427.254 3.547 0 40 IHAB O=C(OCc1cc(-c2ccc(Cl)cc2)no1)c1cccc(N2CCCS2(=O)=O)c1 32885781 YOERIMHNNUSZJW-UHFFFAOYSA-N 432.885 3.892 0 40 IHAB O=C1CC2(C(=O)N1CN1CCN(c3ccc(F)cc3)CC1)c1ccccc1-c1ccccc12 33744627 CHNPABOQKWZLBN-UHFFFAOYSA-N 441.506 3.631 0 40 IHAB COc1ccc(CNC(=O)N2CCC(c3nnc(-c4ccc(F)cc4)o3)CC2)cc1OC 35597714 PVLFZXICVCKJSI-UHFFFAOYSA-N 440.475 3.982 0 40 IHAB O=C(CSc1nc(-c2cc(Br)ccc2O)n[nH]1)N1CCc2ccccc21 38179063 FVQFIKSVAMYDCJ-UHFFFAOYSA-N 431.315 3.621 0 40 IHAB O=S(=O)(Nc1ccc(Nc2cc(-n3cccn3)ncn2)cc1)c1ccccc1Cl 38670411 XARQNQBBGUEWEF-UHFFFAOYSA-N 426.889 3.860 0 40 IHAB CCc1cccc2c(/C=C3\NC(=S)N(c4ccc(C)c(C)c4)C3=O)cn(CC(N)=O)c12 39556507 CVAOPUPQRDUHEB-JAIQZWGSSA-N 432.549 3.568 0 40 IHAB O=C(COCC(=O)Nc1ccc(Br)cc1)Nc1ccc(Br)cc1 39969199 VTRWJARSYNPBMI-UHFFFAOYSA-N 442.107 3.805 0 40 IHAB CC(C)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccc(F)cc4)[nH]c(=O)c32)cc1 40399675 GOSPGSYUOXQIJL-KRWDZBQOSA-N 435.459 3.841 0 40 IHAB C[C@@H]1C[C@@H](C)CN(Cc2ccccc2CNC(=O)c2cccc(CS(C)(=O)=O)c2)C1 48340007 OLARBZWORBYQPL-RTBURBONSA-N 428.598 3.639 0 40 IHAB CN(C(=O)Cn1nc(-c2ccc(Br)cc2)ccc1=O)c1cccc(Cl)c1 57427425 TXHXLOUHZZKGQH-UHFFFAOYSA-N 432.705 3.989 0 40 IHAB Cc1ccccc1-n1c(=O)c2sccc2n(CC(=O)N2CCCc3ccccc32)c1=O 57489606 ZHXCLVIQTWCEPI-UHFFFAOYSA-N 431.517 3.502 0 40 IHAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)C1=NN(C(C)C)C(=O)CC1)CC2 72271681 WDVDZMICNBPQRN-QFIPXVFZSA-N 441.553 3.626 0 40 IHAB O=C(CCn1ncc2ccccc21)N1CCC[C@H](n2nc(-c3cccs3)ccc2=O)C1 72334928 FELJCSFZSWWJCQ-SFHVURJKSA-N 433.537 3.575 0 40 IHAB CNc1ncc(C(=O)N2CCC(c3nc(C(C)(C)C)ncc3-c3cc(C)no3)CC2)cn1 72353531 TUIJNEUCGHRLII-UHFFFAOYSA-N 435.532 3.589 0 40 IHAB Cc1csc(Nc2cccc([C@@H]3CCCN3C(=O)CCn3c(C)cc(C)nc3=O)n2)n1 72375468 QYSZMRGOHKPUHB-SFHVURJKSA-N 438.557 3.517 0 40 IHAB COCCC(=O)N1CCC[C@@](Cc2cccc(-c3cccc(F)c3)c2)(C(=O)N(C)C)C1 72391552 USEBBKPQDLKHPN-VWLOTQADSA-N 426.532 3.769 0 40 IHAB CC(C)(c1ccccc1)[C@H](OC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)C(F)(F)F 95458080 IQJGZRZEMYRAMR-IBGZPJMESA-N 434.414 3.532 0 40 IHAB Cc1csc(-c2cccc(CNC(=O)CC[C@@H]3NC(=O)c4ccccc4N=C3O)c2)n1 95478363 ZIQRDMAWLRZNFU-IBGZPJMESA-N 434.521 3.915 0 40 IHAB CO[C@H]1CC[C@H](C(=O)N[C@H](Cc2cc(O)nc(-c3ccccn3)n2)c2ccccc2)CC1 100221385 SPXOIWLETYQIFN-KAGYGMCKSA-N 432.524 3.849 0 40 IHAB CCOC(=O)COc1cc(-n2c(S)nc3ccccc3c2=O)c(Cl)cc1Cl 100921109 DRRHYUKUYDOMEW-UHFFFAOYSA-N 425.293 3.923 0 40 IHAB CC(C)[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]12 101807788 OBUYDIXKFNSQRN-MSQSPTIYSA-N 444.318 3.574 0 40 IHAB CC(=O)c1ccc(NC(=O)c2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@H]6C[C@H]56)[C@@H]4C3=O)cc2)cc1 102082484 KAWRQJJFUFRVDG-GNWGRXFHSA-N 426.472 3.699 0 40 IHAB O=C(NC1CCCCC1)c1c(N2C(=O)[C@@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)sc2c1CCCCC2 102218721 SPZBOZXUDXQQSR-CPLUKWAASA-N 442.581 3.746 0 40 IHAB O=c1c2ccccc2ncn1C[C@H]1CC[C@H](C(=O)N2CCN(c3ccccc3)CC2)CC1 102674280 ICFKFQAZQLROIU-OYRHEFFESA-N 430.552 3.552 0 40 IHAB CC(C)Oc1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc1 116833498 HBDBQRJIMNZLHM-UHFFFAOYSA-N 436.961 3.842 0 40 IHAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)OC(C)=O)[C@@]4(C)CC(=O)[C@@]32O)C1 118934501 BTCDWECIWQGRNF-HLEUKNNSSA-N 434.573 3.823 0 40 IHAB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)Nc1cc(Cl)ccc1Cl 138889298 OFYJWGMRZMEPGL-LLVKDONJSA-N 425.243 3.667 0 40 IHAB O=S(=O)(Nc1cnn(C[C@H]2COc3ccccc3O2)c1)c1cccc(C(F)(F)F)c1 206847191 OFAGMFAGANFVTD-HNNXBMFYSA-N 439.415 3.543 0 40 IHAB COC(=O)c1cn(C(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)c2ccccc12 222591770 VIIDYJONBKFBHT-INIZCTEOSA-N 428.510 3.540 0 40 IHAB COc1cccc(OC)c1CNC(=O)c1ccc(C)c(NS(=O)(=O)c2ccccc2)c1 224098986 DFWWHPBTPHLXRL-UHFFFAOYSA-N 440.521 3.743 0 40 IHAB CC[C@@H]1CCCCN1CCCNC(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O 225649131 SQOPHEXCVUDCCK-OAQYLSRUSA-N 437.650 3.620 0 40 IHAB CC[C@H](C(=O)NCc1cccc(C(F)(F)F)c1)N(c1cccc(C)c1)S(C)(=O)=O 225679720 QUVWGZVUXOUTSD-GOSISDBHSA-N 428.476 3.875 0 40 IHAB CCOc1ncc([C@]2(O)CC[C@@H]3CN(Cc4cccc(OC(C)C)c4)C[C@H]32)c(OCC)n1 230035576 GDZNPJKSHQYXBX-OPJGWUQDSA-N 441.572 3.791 0 40 IHAB O=S(=O)(c1ccc(Br)s1)N1[C@H]2CC[C@H]1CC(Oc1ccncc1)C2 244909811 AWQQAGVAXUCMCD-RYUDHWBXSA-N 429.361 3.669 0 40 IHAB CN(C)CCN(CCO)C(=O)CCc1ccc2c(c1)C[C@](C)(Cc1ccc(Cl)cc1)O2 257218015 DBNGMJCMKCQRIC-VWLOTQADSA-N 445.003 3.591 0 40 IHAB CCN1CCN(Cc2cccnc2NC)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O 257319902 VUNWVEAYTFLILE-HSZRJFAPSA-N 429.568 3.708 0 40 IHAB CCc1ccc(N([C@H](C)C(=O)NCCOc2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 260888164 IQTDRIWXNYAMOJ-MRXNPFEDSA-N 438.977 3.561 0 40 IHAB O=C(C(=O)N1CCCCC1)c1cn(CC(=O)N2CCCc3ccccc32)c2ccccc12 408576039 XGIUAUSNUFYHLK-UHFFFAOYSA-N 429.520 3.816 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1 408622268 NAPKJEHUKMXIIY-UHFFFAOYSA-N 438.933 3.702 0 40 IHAB Cc1cccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)cc2)c1C 408669458 WDROQJAXRIYXRG-HTUUBCJYSA-N 446.503 3.634 0 40 IHAB Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)c(C)c1 409120395 VSZODHVMDLBJMD-UHFFFAOYSA-N 438.549 3.842 0 40 IHAB COc1ccc([C@H](CNC(=O)COc2cn(C)c(C)cc2=O)c2c[nH]c3ccccc23)cc1 524734655 ZFVMWHUMJDMKNR-NRFANRHFSA-N 445.519 3.511 0 40 IHAB CCOc1ccc(CCC(=O)N2CCNC(=O)[C@H]2Cc2cccc(-c3cccnc3)c2)cc1 585169027 RDMRAVIYFGEONI-RUZDIDTESA-N 443.547 3.650 0 40 IHAB Cc1c(C)n(C[C@@H](O)CN(C)Cc2ccc(OCCN3CCCC3=O)cc2)c2ccccc12 585270557 MLLVJLLOYGPLJY-QHCPKHFHSA-N 449.595 3.752 0 40 IHAB CCOc1ccc2c(c1)[C@@H](NC(=O)N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1)CCO2 681336678 RSRSZJGCKTZTNH-YWZLYKJASA-N 432.542 3.715 0 40 IHAB Cc1cccc2cc(CN(Cc3ccco3)S(=O)(=O)c3ccc(F)cc3)c(=O)[nH]c12 923815 KCYFYQIKTKHGJZ-UHFFFAOYSA-N 426.469 3.960 0 40 IHAB CC(C)(C)n1nnnc1[C@@H](c1ccc2ncccc2c1)N1CCN(Cc2ccccc2)CC1 1337541 RNKWFQMHBVCLTE-XMMPIXPASA-N 441.583 3.884 0 40 IHAB Cc1ccc([C@@H](C(=O)NCc2ccco2)N(C(=O)Cn2nnc3ccccc32)C(C)C)cc1 1376327 NJZNHHCXHDFGBJ-DEOSSOPVSA-N 445.523 3.627 0 40 IHAB Cc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc1 1904195 PWIRAGJYIPCEFW-UHFFFAOYSA-N 429.498 3.890 0 40 IHAB aggregator CCCc1cc(=O)oc2c(C)c(OC(=O)CCNS(=O)(=O)c3ccc(C)cc3)ccc12 2152159 QKHGTQSNSUIIFF-UHFFFAOYSA-N 443.521 3.636 0 40 IHAB biogenic CCOC(=O)N1CCN(c2nc(SC)nc3sc4c(c23)C[C@@](C)(CC)OC4)CC1 2333417 RRICBHIBAGMKOT-HXUWFJFHSA-N 436.603 3.933 0 40 IHAB CCOc1ccc(-n2c(SCc3ccc(C(=O)OC)o3)nc3c(c2=O)SCC3)cc1 2459473 UJMRSCBULSTLMM-UHFFFAOYSA-N 444.534 3.951 0 40 IHAB Cn1c(CS(=O)(=O)c2ccc(Cl)cc2)c(Br)c(=O)n1-c1ccccc1 2504518 DXQGHSHOGUAZDC-UHFFFAOYSA-N 441.734 3.566 0 40 IHAB O=C(CSc1nnc(-c2ccccc2F)n1C1CC1)NC(=O)NCc1ccccc1 2620136 MZYHOVPYMHJCJT-UHFFFAOYSA-N 425.489 3.537 0 40 IHAB O=C(NCCN1CCCCC1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F 8666496 UKQYEONDIIEFPC-UHFFFAOYSA-N 428.373 3.785 0 40 IHAB CCNC(=S)N(CCc1ccccc1C)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O 8686876 UVEGMTMVUSWUQE-UHFFFAOYSA-N 439.581 3.793 0 40 IHAB Cc1ccc(-n2c(SCC(=O)N(C)Cc3ccsc3)nnc2N2CCCC2)cc1 8704870 WVNXQMTZOGQKBS-UHFFFAOYSA-N 427.599 3.988 0 40 IHAB COc1ccc(OC)c([C@H]2CCCN2CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)c1 8719364 HKHQOGYRHGRNHW-QGZVFWFLSA-N 443.569 3.519 0 40 IHAB C[C@H](N[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc2ccccc2o1 8734778 HRTKOYMCWMHMPW-DLBZAZTESA-N 441.553 3.895 0 40 IHAB Cc1c(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)oc2c(Cl)cccc12 8772205 QFPVJGRXIFCJRI-UHFFFAOYSA-N 432.929 3.682 0 40 IHAB Cc1ccc(-n2nnnc2SCC(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)c(C)c1 8973007 AWLLDIRIUFCSII-HXUWFJFHSA-N 435.557 3.761 0 40 IHAB CCCCCOc1ccc(C(=O)CCC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 9127751 CTYFEZLGGQDKNK-KRWDZBQOSA-N 446.569 3.743 0 40 IHAB C[C@@H](OC(=O)c1cccc(-n2cnnn2)c1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 9253938 RKRRBZBWTOLITM-SNVBAGLBSA-N 439.781 3.519 0 40 IHAB CCn1c(S[C@H](C)c2nnc(-c3cccs3)o2)nc2cc(S(N)(=O)=O)ccc21 9376426 XHEJCEKZJXGSSH-SNVBAGLBSA-N 435.556 3.668 0 40 IHAB CCOc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2C[C@H]2CCCO2)cc1OC 9408908 YKHSCQXPXAHAPH-GYCJOSAFSA-N 449.507 3.914 0 40 IHAB CCCC1=C(C(=O)OCC)S[C@]2(SC(C(=O)OC)=NN2c2ccc(C)cc2)N1C 9430997 QFSYFKGZXAXNGM-FQEVSTJZSA-N 435.571 3.899 0 40 IHAB CC(=O)NCc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)o1 9439096 VILTXDUHLJGLRD-UHFFFAOYSA-N 433.489 3.590 0 40 IHAB O=C(CSc1nnc(Cc2cccs2)n1C1CC1)N1CCN(c2ccccc2)CC1 9468722 WUUYTRJHVLMZEQ-UHFFFAOYSA-N 439.610 3.706 0 40 IHAB O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(Cl)c(N2CCCC2=O)c1 9723998 PQSBWMGBYAADME-UHFFFAOYSA-N 447.944 3.504 0 40 IHAB C[C@H](Sc1nnc([C@@H](C)Oc2ccccc2F)o1)C(=O)NCc1ccc2c(c1)OCO2 9729684 TTWQVAVOMHZGOB-OLZOCXBDSA-N 445.472 3.874 0 40 IHAB CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)N2C(C)C)cc1 9934035 QMDLAPPIIVKUEM-LJQANCHMSA-N 441.459 3.577 0 40 IHAB COc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)no2)cc1 11915609 BQLXTYLYBFFJGL-UHFFFAOYSA-N 441.509 3.777 0 40 IHAB O=c1ccc(-c2cccs2)nn1C[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 12183897 RUHCVMFQGRZBLY-GFCCVEGCSA-N 441.987 3.540 0 40 IHAB CCOC(=O)c1ccc(-n2ccc3c(nnc4c(-c5ccccc5)c(CC)nn43)c2=O)cc1 12408679 PYTSXKUAAQAFBF-UHFFFAOYSA-N 439.475 3.835 0 40 IHAB O=S1(=O)CC[C@H](Cc2nc3ccccc3n2C[C@H](O)c2cccc(Br)c2)C1 12535737 SXSWMWBLFQFSSA-KUHUBIRLSA-N 449.370 3.510 0 40 IHAB CCCCOc1ccc(N(CC(=O)NCc2ccc(F)cc2)C(=O)c2csnn2)cc1 12645335 YJVPQUKTYGTORT-UHFFFAOYSA-N 442.516 3.819 0 40 IHAB Cn1cnnc1Sc1ccccc1NS(=O)(=O)c1ccc(Br)s1 12650697 HCBYJWQJJHIWMO-UHFFFAOYSA-N 431.362 3.591 0 40 IHAB O=c1c2sc(-c3ccc(F)cc3)cc2ncn1CCS(=O)(=O)Oc1ccccc1 12753579 QXMPZKJHEZNNOA-UHFFFAOYSA-N 430.482 3.673 0 40 IHAB Cc1ccc([C@H](CN2CCOCC2)NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 12768307 UUQJMAUWQPCQHA-SFHVURJKSA-N 429.369 3.654 0 40 IHAB CCC(C)(C)NC(=O)c1ccc2c(c1)N(CC(=O)N1[C@@H](C)CCC[C@@H]1C)C(=O)C(C)(C)O2 12875915 BFPYZXQKYGYYHN-IRXDYDNUSA-N 443.588 3.899 0 40 IHAB CCOC(=O)c1sc2nc(C)n(CC(=O)N[C@H](C)c3cccc(Cl)c3)c(=O)c2c1C 13009660 SDTGUJQFVGFDAX-GFCCVEGCSA-N 447.944 3.782 0 40 IHAB Cc1noc(C)c1S(=O)(=O)N(C/C=C/c1ccccc1)c1ccc2c(c1)OCCO2 13101727 SFWYBFSBJDBBMA-RMKNXTFCSA-N 426.494 3.971 0 40 IHAB CCCCCC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)cc1 13117021 WQVUMJWWRMDRCY-RUZDIDTESA-N 449.507 3.618 0 40 IHAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)NCCCN3CCCC3)ccc2C)c1 13648563 OLGXZTYHTXNSOI-UHFFFAOYSA-N 429.586 3.628 0 40 IHAB CCn1c(CC(=O)Nc2ccc(C)c(C)c2)nnc1S[C@@H](C)C(=O)NC1CCCC1 13956646 VXVQSBLYUQJXRC-INIZCTEOSA-N 429.590 3.635 0 40 IHAB Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)Nc4ccc(S(C)(=O)=O)cc4)cc3C2=O)c1 14727230 FNJHGPVNHXWCOX-UHFFFAOYSA-N 448.500 3.760 0 40 IHAB O=C(c1ccc2c(=O)n3c(nc2c1)CCC3)N1CCC[C@H](c2nc3ccccc3s2)C1 15536279 XBEOCROQNFXJRE-INIZCTEOSA-N 430.533 3.972 0 40 IHAB COC(=O)c1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 17952952 ILJJGQCDYHLQGO-ZRBLBEILSA-N 442.471 3.833 0 40 IHAB C[C@H](C(=O)N1CCC[C@@H](c2nc(-c3cccs3)cc(C(F)(F)F)n2)C1)n1cncn1 19078433 KWBSYVDEWSIWSU-CHWSQXEVSA-N 436.463 3.783 0 40 IHAB Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2C[C@@H]1CCCN1Cc1cnc(N(C)C)nc1 19219890 KYXBQPAAGAQBKZ-KRWDZBQOSA-N 445.489 3.849 0 40 IHAB O=C(Cc1ccccc1)N1CCC[C@@H]1c1cc2nc3c(c(O)n2n1)CN(C1CCCC1)CC3 19370177 SSGDKJVJZIYGNU-HSZRJFAPSA-N 445.567 3.642 0 40 IHAB CCc1nn(C)c(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)c2cc(N(C)C)nc(C)n2)c1C 19521035 JXYBJWCJJGXMJW-NRFANRHFSA-N 445.571 3.650 0 40 IHAB CC1CCN(CC(=O)N2CCC[C@H](c3nc(N(C)C)ncc3-c3ccc(F)cc3)C2)CC1 19694010 IQOPXDGNOHVVTB-FQEVSTJZSA-N 439.579 3.787 0 40 IHAB COc1cccc(CN2CC=CC[C@@H](C3CCN(C(=O)c4scnc4C)CC3)C2=O)c1 19698549 SJWKXYPFSOXYDM-NRFANRHFSA-N 439.581 3.917 0 40 IHAB COc1ccc(CN2CCC(c3cc(C(F)(F)F)c4c(N)nc(N)nc4n3)CC2)cc1 19743020 NFQFRMZPSSGNRR-UHFFFAOYSA-N 432.450 3.596 0 40 IHAB Cc1ncc(C(=O)NCc2ccccc2)c(CC2CCN(C(=O)[C@H]3CC34CCC4)CC2)n1 19757295 CSYJVYGOQWMEME-JOCHJYFZSA-N 432.568 3.686 0 40 IHAB C[C@@H](NC(=O)c1cnc2sc3c(n2c1=O)CCCC3)c1cccc(Br)c1 20030126 UNOKPBVLUGNPFZ-LLVKDONJSA-N 432.343 3.888 0 40 IHAB CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)N1CCN(Cc2ccccc2)CC1 21329464 VAFLSOUPYREWKE-HXUWFJFHSA-N 449.624 3.714 0 40 IHAB O=C(COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1cccnc1Cl 21841757 LDRIVRWZHCLFHH-UHFFFAOYSA-N 442.825 3.547 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N[C@H](C)c1ccc(C)cc1C 22515027 CCGNMTJGQBKVPG-GOSISDBHSA-N 430.570 3.978 0 40 IHAB O=C(c1cc(-c2ccccc2)nc2ccccc12)N1CCC[C@H](C(=O)N2CCOCC2)C1 22604467 ZKIAFZZPWMBRAU-FQEVSTJZSA-N 429.520 3.613 0 40 IHAB O=C(CN1CCN(CC(=O)Nc2cccc(F)c2)CC1)Nc1ccc(-c2ccccc2)cc1 22797875 DTTVQLYOBVYELD-UHFFFAOYSA-N 446.526 3.688 0 40 IHAB COC(=O)c1ccc2c(=O)[nH]c(CSc3nnc(C4CC4)n3Cc3ccccc3)nc2c1 23599800 KUVRDLWKHCXCLZ-UHFFFAOYSA-N 447.520 3.519 0 40 IHAB O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)NCCSc1ccc(Cl)cc1 23922563 ZVQMHYZSXPBJSS-UHFFFAOYSA-N 445.031 3.637 0 40 IHAB C[C@H](NC(=O)COC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1ccccc1 25048570 FFBRSIIIODGFSL-INIZCTEOSA-N 434.492 3.650 0 40 IHAB CC1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)C2)CC1 26110409 XZSUBHOOZQMVOD-HNNXBMFYSA-N 433.401 3.794 0 40 IHAB O=C(NCc1ccccc1Cn1cccn1)[C@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21 27254469 SVZIWBNIDYCWSP-ZEQRLZLVSA-N 442.563 3.943 0 40 IHAB COc1cc(C(=O)N2CCN(Cc3csc(-c4ccco4)n3)CC2)cc(OC)c1C 29854414 KVZHAQRWAUPKGF-UHFFFAOYSA-N 427.526 3.687 0 40 IHAB COc1cccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)c1 31517253 BBSVLKQABJAZIX-LBPRGKRZSA-N 437.279 3.537 0 40 IHAB CC(C)CCn1c(SCC(=O)NCCN(C(C)C)C(C)C)nc2ccccc2c1=O 32903698 QOSZTTIJSBNJDN-UHFFFAOYSA-N 432.634 3.770 0 40 IHAB CC(C)C(=O)Nc1ccc2c([C@@H](C(=O)O)N3CCN(c4ccc(F)cc4)CC3)c[nH]c2c1 36366866 PKTSCPWLWWPWAL-QFIPXVFZSA-N 438.503 3.849 0 40 IHAB CCn1ncc(Cl)c1CNC(=O)c1cc(-c2ccc(OC)cc2)nc2c1c(C)nn2C 36613259 WQGOUINQGLFZNR-UHFFFAOYSA-N 438.919 3.752 0 40 IHAB NC(=O)[C@H]1CCCCN1CC(=O)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccccc1 37189604 CGBDDCGPZCYWCG-RPBOFIJWSA-N 440.547 3.857 0 40 IHAB Cc1cc(C)n2nc(SCc3ccccc3C(=O)OCC(=O)OC(C)(C)C)nc2n1 40051837 HQBSBYLNZLZTLL-UHFFFAOYSA-N 428.514 3.532 0 40 IHAB CC[C@@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1)c1ccc(C)cc1C 44856738 FGPCQQMGQFZVGT-XLIONFOSSA-N 436.961 3.751 0 40 IHAB Cc1cccc(CCCNC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)c1 44909799 ZTPSFCSOOFCMCG-JOCHJYFZSA-N 444.597 3.569 0 40 IHAB COc1cccc(CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3nnc(C)n3c2)c1 49408527 CAPZMVVSJQAPQW-UHFFFAOYSA-N 426.473 3.581 0 40 IHAB NC(=O)c1cccc(CCNC(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)c1 60366356 JEIXSJRHUMEDQG-UHFFFAOYSA-N 434.883 3.857 0 40 IHAB COc1ccc([C@H]2CC(c3cc(Cl)ccc3O)=NC3(CCN(C(C)=O)CC3)N2)cc1 65298557 GFXIDRDVABZARN-HXUWFJFHSA-N 427.932 3.917 0 40 IHAB biogenic Cc1ccc(-n2cccc2)c(C(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)c1 65588152 QRPCBHFZFPMGIP-UHFFFAOYSA-N 433.537 3.855 0 40 IHAB Cc1ccc(-n2c(SCC(=O)NCCc3cccs3)nc3cc(C)[nH]c3c2=O)cc1 67239427 OKGLRPPYGIJEEI-UHFFFAOYSA-N 438.578 3.843 0 40 IHAB COc1ccc(CN(C)C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2OC)cc1F 69417908 NJTNMHANCNAEBX-SFHVURJKSA-N 434.895 3.760 0 40 IHAB CSCC[C@@H]1C[C@H](C(=O)Nc2ccc(F)cc2)[C@]2(N1)C(=O)Nc1ccc(Cl)cc12 71333830 JOHRRPUZINTVMC-CEQIKUNHSA-N 433.936 3.996 0 40 IHAB CCc1cc(C(=O)N2CC[C@H](c3c(C(=O)N4CCOCC4)sc4ccccc34)C2)on1 72352198 VXXPJWIEYAAHRP-HNNXBMFYSA-N 439.537 3.554 0 40 IHAB Cc1cc(C)nc(Nc2ccc([C@@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)nc2)n1 72353296 IIYZQYMAEDCPPP-QGZVFWFLSA-N 441.532 3.939 0 40 IHAB COc1ccc(CCC(=O)N2CCC[C@@H](c3cncc(-c4ccc(CO)cc4)n3)C2)cc1 72359565 BHNLXFQBZDVUOR-JOCHJYFZSA-N 431.536 3.983 0 40 IHAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H]2c2n[nH]cc2-c2ccc(F)cc2)cc1 72380286 NEYSQFJCWZRUSY-FQEVSTJZSA-N 428.489 3.700 0 40 IHAB COc1ccccc1-c1nnc(SCCC(=O)Nc2cccc(Br)c2)n1N 79107260 DKWQFCNFENZISE-UHFFFAOYSA-N 448.346 3.551 0 40 IHAB Cc1cc(Oc2ccc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(C)s3)cc2)n[nH]1 84205604 XNWRRJRZBDPBCJ-QGZVFWFLSA-N 446.554 3.672 0 40 IHAB CC(=O)c1ccc(OCC(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc1 89331031 JBHAXBNKVGCIHN-UHFFFAOYSA-N 438.505 3.732 0 40 IHAB COc1ccc(CCC(=O)N[C@H](CC(=O)O)c2ccc(SC)cc2)c(OC)c1OC 95463951 OGHJCJFWSIDMRS-QGZVFWFLSA-N 433.526 3.699 0 40 IHAB O=C1CCCN1C[C@@H]1CCCCN1Cc1ncc(Br)cc1Br 96013598 SCTIALPHHZMJMV-ZDUSSCGKSA-N 431.172 3.584 0 40 IHAB CC(=O)c1ccc(N2C(=O)C[C@H](c3c(C)nn(-c4nc5ccccc5s4)c3O)C2=O)cc1 100134597 OAJJODLOIRSKKQ-MRXNPFEDSA-N 446.488 3.746 0 40 IHAB Cc1ccsc1CN1CCC[C@H]1c1cc2nc3c(c(O)n2n1)CCN(C(=O)C(C)C)C3 100234381 RAOGFWALZSBRDK-IBGZPJMESA-N 439.585 3.683 0 40 IHAB O=C1[C@H]2CCCC[C@H]2C(=O)N1CCC(=O)N1CCCC[C@@H]1c1nc2ccccc2s1 100804887 YJXMFLMYMIYCIG-SOLBZPMBSA-N 425.554 3.915 0 40 IHAB CCOc1ccc(CCCNC(=O)[C@H](CC)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1 220554934 KBQIROGVLZVESP-QFIPXVFZSA-N 446.613 3.996 0 40 IHAB CCCOc1ccccc1CCCNC(=O)c1cc(N(C)S(C)(=O)=O)ccc1Cl 222504817 UFHVTPQBJFUFFW-UHFFFAOYSA-N 438.977 3.887 0 40 IHAB CC[C@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)COc1ccc(OC)cc1 222562013 RBTWXPCIKQPRQI-WMZHIEFXSA-N 426.557 3.839 0 40 IHAB CCCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(OC)c(OC)c1 222732272 PALVUVUDBPEEHM-IBGZPJMESA-N 426.557 3.970 0 40 IHAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(Br)cc3F)c(Cl)cc21 223363848 FJSMDNQXLAUCAZ-UHFFFAOYSA-N 449.685 3.970 0 40 IHAB Cc1c(Cl)cccc1N(CC(=O)NCCOc1cccc2ccccc12)S(C)(=O)=O 223519818 LQHPMMRZQOIRKL-UHFFFAOYSA-N 446.956 3.763 0 40 IHAB COc1ccc(-c2cc(C(=O)N3CCC(Cn4cnc5ccccc54)CC3)[nH]n2)c(OC)c1 223810598 JFQYWHSRPKQUIV-UHFFFAOYSA-N 445.523 3.996 0 40 IHAB CSc1ccc(S(=O)(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1NC(C)=O 224288318 HYPQUINROZOMIG-UHFFFAOYSA-N 449.598 3.641 0 40 IHAB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-n2cnnc2)c1C 224559058 IXUXSSPSXWQPAU-FCHUYYIVSA-N 445.552 3.589 0 40 IHAB CC(C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccccc1 224674984 RPSQOIICKAQSIO-INIZCTEOSA-N 433.346 3.770 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCc1cccc(C)c1)c1ccccc1 226049188 QTODRVIUBZKYBA-UHFFFAOYSA-N 438.549 3.824 0 40 IHAB Cc1nn(C)cc1C(=O)N1CC[C@@]2(C)[C@@H]1CCC(=O)N2Cc1ccc(C(F)(F)F)cc1 257200031 ABSNFBCMSJFOQR-RXVVDRJESA-N 434.462 3.543 0 40 IHAB CC(=O)O[C@H]1C[C@H](C(C)=O)[C@]2(C)CC[C@@]3(O)[C@H](CC[C@H]4C[C@H](OC(C)=O)CC[C@]43C)[C@H]12 257348154 BTJJGPCIDWESHX-NVDIATHQSA-N 434.573 3.823 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCC3=CCCCC3)C2)cc1C 408554066 BJHATQZYCWTHPA-FQEVSTJZSA-N 434.602 3.801 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCCCC1)c1ccc(C)c(C)c1 409391919 PEQQGOGQPATDRZ-UHFFFAOYSA-N 430.570 3.828 0 40 IHAB COC(=O)Nc1ccc(S(=O)(=O)NC[C@H](c2csc3ccccc23)N(C)C)cc1 575620548 KTQWHZSAGOUYPI-GOSISDBHSA-N 433.555 3.661 0 40 IHAB CCN1CCN(C(=O)c2ccccc2OC)[C@@H](Cc2cccc(-c3ccncc3)c2)C1=O 1848351832 VSIZNOUHLUCOOR-QHCPKHFHSA-N 429.520 3.673 0 40 IHAB CC(=O)N1CCCCCCCN(CC(C)C)Cc2cc(C(=O)N(C)CC(=O)O)ccc21 2037940793 VEPKKIFRWKMIMP-UHFFFAOYSA-N 431.577 3.618 0 40 IHAB Fc1ccc(Cn2nnnc2[C@@H](c2cccs2)N2CCN(C3CCCCC3)CC2)cc1 1328010 BCZOUNIDJGNHQT-JOCHJYFZSA-N 440.592 3.962 0 40 IHAB Cc1ccc(N(C(=O)c2csnn2)[C@@H](C(=O)NCc2ccccc2)c2cccnc2)cc1 1357250 HEUSGQVSTXDVTQ-JOCHJYFZSA-N 443.532 3.946 0 40 IHAB O=C(COC(=O)CCCN1C(=O)c2ccccc2C1=O)Nc1cc(Cl)cc(Cl)c1 1936264 RYYRMSBXOHNUIN-UHFFFAOYSA-N 435.263 3.552 0 40 IHAB CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CN1CCCc2ccccc21 2101628 VZKQRUIKSOTQIP-UHFFFAOYSA-N 437.496 3.753 0 40 IHAB biogenic O=C(CCC(=O)N1CCN(c2ccccc2F)CC1)Nc1nnc(C2CCCCC2)s1 2419197 KHDIULCEYXSWJO-UHFFFAOYSA-N 445.564 3.792 0 40 IHAB COCCn1c(C)cc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(C(C)(C)C)cc3)C2=O)c1C 2648180 IQBOPMADILUNLC-VWLOTQADSA-N 439.556 3.699 0 40 IHAB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NCc1ccccc1 3331149 RHNMEFHIFATQKQ-UHFFFAOYSA-N 428.941 3.847 0 40 IHAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)c1C 3393949 NNJDHAOYPMZYHX-UHFFFAOYSA-N 443.459 3.573 0 40 IHAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2cccc(Br)c2)N1CCO 4295424 JWXZAZJAQCQOEP-MRXNPFEDSA-N 434.673 3.746 0 40 IHAB C[C@H](Sc1nnc(-c2cccnc2)n1N)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 8878455 LJGIAIPSDLGHNX-VIFPVBQESA-N 442.854 3.845 0 40 IHAB COc1ccccc1N(C(C)=O)c1nc(COC(=O)CCn2c(C)csc2=O)cs1 8966351 MEXWDWFXYLFRQB-UHFFFAOYSA-N 447.538 3.501 0 40 IHAB CCn1c(S[C@@H](C)C(=O)Nc2nc(C)c(C)s2)nnc1-c1ccc2c(c1)OCO2 9290003 LFCKYNAIWDLBKK-LBPRGKRZSA-N 431.543 3.886 0 40 IHAB CNC(=O)[C@@H]1CN(C(=O)Cn2c(-c3ccccc3)cc3ccccc32)c2ccccc2O1 9468975 YZCLCIWZTNLFQA-DEOSSOPVSA-N 425.488 3.849 0 40 IHAB Cc1ccc(Nc2nc(N)nc(CSc3nnc(Cc4csc(C)n4)o3)n2)cc1 9469795 QPIROXPUGYJOIC-UHFFFAOYSA-N 426.531 3.537 0 40 IHAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1cccc(C(F)(F)F)c1 9506718 PJOVQCYHIFDPIQ-UHFFFAOYSA-N 448.488 3.695 0 40 IHAB COc1ccc(CCNC(=O)c2cccc(S(=O)(=O)N[C@@H](C)c3ccccc3)c2)cc1 9640442 CPBFGZUOJZMGQG-SFHVURJKSA-N 438.549 3.707 0 40 IHAB C[C@H]1c2ccsc2CCN1CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 9663402 DVBCUJLEDKEQED-KRWDZBQOSA-N 447.626 3.871 0 40 IHAB Cc1sc2nc(SCC(=O)NCc3ccc4c(c3)OCO4)n(C(C)C)c(=O)c2c1C 9955332 PIJOBEMUDXTXAQ-UHFFFAOYSA-N 445.566 3.793 0 40 IHAB COC(=O)C1=C(C)N(c2cc(C)ccc2C)C(=S)N[C@H]1c1cc(OC)c2c(c1)OCO2 10360125 HOCCFAFPYHKHKI-FQEVSTJZSA-N 440.521 3.924 0 40 IHAB Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 10518398 ATBSNXQIZGOAEA-UHFFFAOYSA-N 436.599 3.842 0 40 IHAB Cc1c(O[C@H](C)C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)ccc2c3c(c(=O)oc12)CCCC3 11866949 CUWCCCONWHQQCC-KABRZNFWSA-N 439.552 3.901 0 40 IHAB biogenic CCC[C@]1(C(=O)OCC)N[C@@H](c2ccccc2F)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 12496718 ILKNXVBYDHWGND-VKDGWMQASA-N 442.462 3.517 0 40 IHAB Cc1cc(SCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)nc2c(C)cccc12 12568885 LJIQFEGVXASICJ-GOSISDBHSA-N 432.611 3.902 0 40 IHAB COc1cc2cc(CN(CCCN(C)C)C(=O)Nc3ccccc3)c(=O)[nH]c2cc1OC 12709020 JQPZPRDXNXHUSC-UHFFFAOYSA-N 438.528 3.531 0 40 IHAB CCOc1ccc([C@@H](C)NC(=O)CNC(=O)c2cccc(Br)c2)cc1OCC 12752722 HTMVDEQBCOVMTJ-CQSZACIVSA-N 449.345 3.854 0 40 IHAB Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1 12902623 OZJMJKKWOVGHEY-UHFFFAOYSA-N 435.915 3.710 0 40 IHAB Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(=O)NC[C@H](O)c3ccccc3)ccc12 13574707 WZEYHIONASGDFK-DEOSSOPVSA-N 443.499 3.921 0 40 IHAB COc1ccc2nc(C[C@H]3[C@@H](O)c4ccccc4S(=O)(=O)N3CC(C)C)ccc2c1 13681493 STZZSGYDVYDBBB-GMAHTHKFSA-N 426.538 3.548 0 40 IHAB Nn1c(SCC(=O)N2CCC(Cc3ccccc3)CC2)nnc1-c1ccccc1Cl 14068927 MGIDMTMVQJNWDQ-UHFFFAOYSA-N 441.988 3.886 0 40 IHAB Cc1ccc(C)c(C(=O)[C@H](C)OC(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)c1 15613975 LPVFWGDNQAMBAP-RLJZQAMKSA-N 428.529 3.555 0 40 IHAB CC(=O)Nc1ccc(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccccc2)cc1 16321208 IXMFWXFCPKAYMG-UHFFFAOYSA-N 429.542 3.607 0 40 IHAB Cc1cccc(-c2cccc(C[C@]3(C(N)=O)CCCN(C(=O)CCn4nccc4C)C3)c2)c1 19235429 HMYPBASTAFZQJE-HHHXNRCGSA-N 444.579 3.894 0 40 IHAB CC1=NN(CCC(=O)N2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccc(F)cc2)CC1 19694347 RVHFKBULVQBXLY-NRFANRHFSA-N 438.551 3.874 0 40 IHAB Cc1nc([C@@H]2CCCCN2C(=O)c2cccnc2N)nc2c1CC(=O)N2CC1CCCCC1 19739606 YANKKBXJWWFSDZ-FQEVSTJZSA-N 448.571 3.599 0 40 IHAB COc1ccc(CN2C(=O)Cc3c(C)nc([C@@H]4CCCN(C(=O)C(C)(C)C)C4)nc32)cc1 19744436 RNVZDKSJTTWJOJ-GOSISDBHSA-N 436.556 3.635 0 40 IHAB Cc1ncc(C(=O)N2CCCC[C@H]2c2ncc(C(=O)Nc3ccc(F)cc3)c(C)n2)c(C)n1 19765022 ANRSDIFLMXIMCK-NRFANRHFSA-N 448.502 3.951 0 40 IHAB CCc1ccccc1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 20007774 GNWSFGCLJARVBM-QFIPXVFZSA-N 426.513 3.916 0 40 IHAB CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccc(F)cc1 20245076 IMOYLBICRBKUBI-UHFFFAOYSA-N 443.500 3.870 0 40 IHAB CC[C@H](Oc1ccccc1)C(=O)Nc1nn2c(-c3ccc(OC)c(OC)c3)nnc2s1 20486609 ZZSZCSCVWGVSAL-HNNXBMFYSA-N 439.497 3.666 0 40 IHAB Cc1cc(Cl)ccc1N(CC(=O)NCCCc1ccc(Cl)cc1)S(C)(=O)=O 22336542 GVOPQVFDKHTJFY-UHFFFAOYSA-N 429.369 3.817 0 40 IHAB Cc1cc(N2C[C@H](c3nc4ccccc4n3CCN3CCOCC3)CC2=O)ccc1Cl 23114879 UNLYHJWQLGLMRE-GOSISDBHSA-N 438.959 3.851 0 40 IHAB O=C(Cn1nc(C(=O)N2CCOCC2)cc1-c1cccs1)Nc1ccc(F)c(Cl)c1 23142202 YICHDRXWHVIQQT-UHFFFAOYSA-N 448.907 3.515 0 40 IHAB CC[C@@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(Br)c1 23744350 RUTRVUOEJCZKDB-GFCCVEGCSA-N 441.347 3.787 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(NC(=O)CC(C)C)cc2)cc1C 25765824 VAEHEABXKLCQTF-UHFFFAOYSA-N 431.558 3.547 0 40 IHAB O=C(O)c1cc(S(=O)(=O)Nc2cccc(Br)c2)c(Br)s1 32585463 HROKBIMPIVYMJX-UHFFFAOYSA-N 441.122 3.772 0 40 IHAB NC(=O)c1ccc(/C=C/C(=O)OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 32761050 VFANBULXIKAQEI-FPYGCLRLSA-N 426.778 3.653 0 40 IHAB COc1ccc2c(c1)c1nc(SCC(=O)Nc3ccc(C)c(F)c3)n(C)c(=O)c1n2C 33287637 PZUXNKFMLXKYPT-UHFFFAOYSA-N 440.500 3.612 0 40 IHAB C[C@H]1Cc2ccccc2N1C(=O)CSc1nnc(NC(=O)c2ccccc2F)s1 35314047 ITIVJHWJAGBLGV-LBPRGKRZSA-N 428.514 3.999 0 40 IHAB COc1ccc(NC(=O)c2csc(Nc3ccc(S(C)(=O)=O)cc3)n2)cc1OC 35596772 RJFALKRKTBSPST-UHFFFAOYSA-N 433.511 3.560 0 40 IHAB CCN(CC(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc(C)ccc1OC 39985656 MKWDJJZKGRHPCO-UHFFFAOYSA-N 430.448 3.672 0 40 IHAB Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccc(F)cc4)[nH]c(=O)c32)c(Cl)c1 40399773 APQBOVGWUWTMPO-ZDUSSCGKSA-N 441.850 3.679 0 40 IHAB CC(C)C(=O)Nc1ccc(S(=O)(=O)NCC2CCN(Cc3ccsc3)CC2)cc1 43954061 PHPNXLIKOKAOOM-UHFFFAOYSA-N 435.615 3.533 0 40 IHAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)CCc1ncc(-c2ccc(C)cc2)o1 48304089 LQSJXHIOUXCUIW-UHFFFAOYSA-N 449.507 3.841 0 40 IHAB COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)COc2ccc(C(C)(C)C)cc2)c1 57313920 NFXTUPWIRWBJGG-UHFFFAOYSA-N 439.556 3.540 0 40 IHAB C[C@H](c1ccccc1)N(C)C(=O)CSc1nc(O)cc(=O)n1-c1ccc(Cl)cc1 58172173 GSIDSZARPCTESS-CQSZACIVSA-N 429.929 3.903 0 40 IHAB Cc1cc(C)n(CC(=O)Nc2ccccc2Cl)c(=O)c1S(=O)(=O)c1ccccc1 64838444 JRLAPQCSLCYQCH-UHFFFAOYSA-N 430.913 3.590 0 40 IHAB Cc1ccc(C)c([C@@H]2NC(=O)N(CC(=O)Nc3ccccc3C(C)C)C3=C2C(=O)OC3)c1 67288898 XSWNIBBTMKGUMI-QHCPKHFHSA-N 433.508 3.943 0 40 IHAB CCc1ccc(CNC(=O)c2cnn(-c3ccc(-c4nc(C5CC5)no4)cn3)c2C)cc1 71768661 YNJQSEQGRHTOOV-UHFFFAOYSA-N 428.496 3.996 0 40 IHAB COCCNC(=O)c1sc2ccccc2c1[C@H]1CCN(C(=O)c2ccnn2C(C)C)C1 72352500 BUTQVHPSHIMYJL-INIZCTEOSA-N 440.569 3.685 0 40 IHAB C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@H]3C[C@@H]4[C@H](CC(=O)[C@H]5C[C@@H](O)CC[C@@]54C)[C@@H]3CC[C@H]1[C@]2(C)O 85885423 IQDIERHFZVCNRZ-XOZPGLDSSA-N 429.645 3.886 0 40 IHAB COc1cccc([C@H](O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2OC)c1 95462028 VGUDXXQPSUJGLE-OAQYLSRUSA-N 427.522 3.628 0 40 IHAB COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@H]1C[C@@H]3C(=O)N[C@H](C)CCc1ccco1)NC2=O 100181803 LGMZHQOUURKDEB-LWVUTODASA-N 438.524 3.680 0 40 IHAB COc1ccc([C@H]2c3ccc4ccccc4c3Oc3ncn(CCO)c(=N)c32)cc1OC 101175222 IQKLXXPMDIELJF-NRFANRHFSA-N 429.476 3.811 0 40 IHAB CCCCc1ccc(N2C(=O)C[C@@H](N3CCC(C(=O)Nc4ccccc4O)CC3)C2=O)cc1 101490838 AESDPFVTUWSBQP-JOCHJYFZSA-N 449.551 3.717 0 40 IHAB Cc1cc(C)cc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3Cl)n2C)c1 108273257 OCUGRIIEZSYHTD-UHFFFAOYSA-N 443.960 3.746 0 40 IHAB CCOc1ccccc1N(CCCC(=O)NCc1cccc(OC(C)C)c1)S(C)(=O)=O 113961083 VHNBCISTPYVPJP-UHFFFAOYSA-N 448.585 3.735 0 40 IHAB C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1)c1ccc(F)cc1 113971535 OJSRHPAPIRLMLH-QAPCUYQASA-N 438.952 3.898 0 40 IHAB CCOC[C@]1(C(N)=S)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(OC)cc1 218126750 ZRBWAJFJOXJGTB-CMKODMSKSA-N 439.986 3.597 0 40 IHAB CCOc1cccc(CNC(=O)C2=C(c3ccccc3)c3ccccc3N(C)S2(=O)=O)c1 219182595 AAARSYZIMNMUML-UHFFFAOYSA-N 448.544 3.941 0 40 IHAB CC(C)CSc1nnc(NC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)s1 222585220 IIZFMYISOPPHEH-LLVKDONJSA-N 449.023 3.733 0 40 IHAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc(OC)cc1 223240636 JCQYVVZBXRYGJU-LJQANCHMSA-N 439.339 3.934 0 40 IHAB CS(=O)(=O)N(CC(=O)Nc1ccc(Br)cc1)Cc1ccccc1Cl 223549748 ALGREYXAIPNMMK-UHFFFAOYSA-N 431.739 3.503 0 40 IHAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-n3cnnc3)c2C)c1 224228184 GHDDGPYJRLYATD-VXKWHMMOSA-N 429.553 3.888 0 40 IHAB COc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 224532224 BBFCEGJRMRNRHF-UHFFFAOYSA-N 426.494 3.822 0 40 IHAB CC(C)(C)c1ccc(N(CC(=O)Nc2ccc(N3CCCC3)cc2)S(C)(=O)=O)cc1 224914321 ISKLCXMUQZBPEA-UHFFFAOYSA-N 429.586 3.989 0 40 IHAB Cc1cc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)ccc1N(C)S(C)(=O)=O 225490598 TYBHYVKXDNZTNY-UHFFFAOYSA-N 436.946 3.815 0 40 IHAB CCC(=O)Nc1nnc(S(=O)(=O)Nc2ccc3c(c2)c2ccccc2n3CC)s1 225776393 DZLGTDHKQLJLHW-UHFFFAOYSA-N 429.527 3.815 0 40 IHAB CN(CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C)[C@@H]2Cc1ccccc1)Cc1cccnc1 257229361 FXUDAOOPSYXWTH-AMVJKZIMSA-N 432.612 3.598 0 40 IHAB Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 408592874 OYLLETBBRICUJE-UHFFFAOYSA-N 440.924 3.980 0 40 IHAB Cc1cccc(N2CCN(S(=O)(=O)c3ccc(NC(=O)NCC(C)C)cc3)CC2)c1C 408597967 XAQGYXRTCQIYAV-UHFFFAOYSA-N 444.601 3.592 0 40 IHAB CCc1cccc(CC)c1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 408664591 QSSJRRQEQBBTNB-KRWDZBQOSA-N 428.916 4.000 0 40 IHAB CCOc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)cc(Br)c1OCC(=O)O 409023375 LLOHARYZDAUAKJ-NTUHNPAUSA-N 444.303 3.756 0 40 IHAB Cc1ccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3cc(C)ccc3C)n2C)cc1 409124456 HSNAYSFIHKGTNU-QGZVFWFLSA-N 437.569 3.962 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCCOC(C)C)c2ccccc2Cl)cc1 409255316 JMMCECDVEGHOHB-UHFFFAOYSA-N 438.977 3.775 0 40 IHAB Cc1ccc2nc([C@H]3CCCN3C(=O)c3cn(-c4ccc(C(F)(F)F)cn4)nn3)[nH]c2c1 512092887 SQEOMGOYJYJCKN-QGZVFWFLSA-N 441.417 3.843 0 40 IHAB Cc1ccc(Cl)c(OC[C@]2(O)CCCN(CC(=O)NCc3cccc(F)c3)CC2)c1 585274646 XXERSDXAHFYAEE-QHCPKHFHSA-N 434.939 3.700 0 40 IHAB CCn1cc(C(=O)N2CCC[C@]3(CCCCCOc4ccccc4C(=O)NC3)C2)c(C)n1 643559281 ARTAHCOAUYKRNL-VWLOTQADSA-N 438.572 3.817 0 40 IHAB CCC(=O)N1CCCN(C)CCCN(C(=O)c2ccc(C)nc2)Cc2cc(F)c(F)cc21 643581546 SZYLALKBSLUMEP-UHFFFAOYSA-N 444.526 3.779 0 40 IHAB CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2c1ncnc2[nH]cnc12 2037843420 CLYFMTNWHMAFDO-IKVZYYAVSA-N 430.556 3.723 0 40 IHAB CCOC(=O)c1ccc(Nc2nc3nonc3nc2Nc2ccc(C(=O)OCC)cc2)cc1 793490 YKEBMBYDPNVUPY-UHFFFAOYSA-N 448.439 3.853 0 40 IHAB Nc1c(C(=O)NCc2ccc(Cl)cc2)c2nc3ccccc3nc2n1C[C@H]1CCCO1 2253099 GDWXFLKHTHIMKT-MRXNPFEDSA-N 435.915 3.929 0 40 IHAB O=C([C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1F)N1CCc2ccccc21 3432482 MBFJCRFHNRTGRD-QFIPXVFZSA-N 436.508 3.531 0 40 IHAB C[C@@H](OC(=O)CNS(=O)(=O)/C=C/c1ccccc1)C(=O)c1ccc(C(C)(C)C)cc1 3438394 KCOQPQOQOJZKSF-IAOULYHDSA-N 429.538 3.689 0 40 IHAB CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(Cl)cc3)cc2)CC1 4121724 RUIWRPQABZOCNY-UHFFFAOYSA-N 430.961 3.525 0 40 IHAB O=C1N(c2cccc(C(F)(F)F)c2)[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1Cl 8433436 CKRJIMVKHPSCIZ-HZPDHXFCSA-N 430.835 3.971 0 40 IHAB COc1cccc(OCCOc2cccc(/C=c3/sc4nc5ccccc5n4c3=O)c2)c1 8983587 BWVLYKQGIYXBHV-HZHRSRAPSA-N 444.512 3.923 0 40 IHAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 9052579 XUGBNKQSARVFSD-OAHLLOKOSA-N 429.567 3.914 0 40 IHAB O=C(NCc1ccc(N2CCCC2=O)cc1)c1ccc(OCc2cn3ccccc3n2)cc1 9157108 LJFJNYBKYPWNRH-UHFFFAOYSA-N 440.503 3.970 0 40 IHAB CCOc1cc(CNCCSc2nnnn2C)ccc1OCc1ccccc1Cl 9194372 ULNWLIXBIKOSAV-UHFFFAOYSA-N 433.965 3.723 0 40 IHAB CC(=O)Nc1ccc(C(=O)Nc2nnc([C@H]3CC(=O)N(c4ccccc4C)C3)s2)cc1 9198071 MHLAKYIRAKNDHJ-INIZCTEOSA-N 435.509 3.578 0 40 IHAB O=S(=O)(c1ccc(Sc2nc(C3CC3)n(-c3ccccc3)n2)nc1)N1CCCCC1 9207560 QNUUAFGTVKBRFP-UHFFFAOYSA-N 441.582 3.866 0 40 IHAB CCn1c(S[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)nnc1-c1cccc(OC)c1 9289918 RCMDRASZXMPHBJ-ZDUSSCGKSA-N 426.498 3.822 0 40 IHAB O=C(NCc1ccco1)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 9495273 IPRFEXLCYYFASO-UHFFFAOYSA-N 431.558 3.543 0 40 IHAB O=C(CSc1nnnn1C1CC1)N(Cc1ccccc1)c1nc2c(s1)CCCC2 9530631 COPWGZPSIIDZRG-UHFFFAOYSA-N 426.571 3.669 0 40 IHAB CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(N2CCCC2=O)cc1 9620028 JHPSJTCUKCHDDM-UHFFFAOYSA-N 435.553 3.746 0 40 IHAB COc1ccc(Cl)cc1NC(=O)COc1coc(CN2CCc3ccccc32)cc1=O 9716641 SZHZFEIGGYNWCN-UHFFFAOYSA-N 440.883 3.882 0 40 IHAB O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)N[C@@H](c1ccccc1)c1cccs1 9741080 RYWPCZIWHXOMTR-WIOPSUGQSA-N 445.544 3.737 0 40 IHAB CCOc1ccccc1CCCNC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 10110944 LBARPBURCKUYCE-UHFFFAOYSA-N 440.565 3.754 0 40 IHAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)Nc1ccccc1OCC(F)(F)F 10720391 RLGNQMLFTDWLFJ-UHFFFAOYSA-N 447.339 3.882 0 40 IHAB COc1cccc2cc(-c3csc(NC(=O)CN4C(=O)c5ccccc5C4=O)n3)oc12 10747881 KHXWDZVHKVDFRY-UHFFFAOYSA-N 433.445 3.800 0 40 IHAB Cc1ccc(C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1S(=O)(=O)NCc1ccccc1 10817515 IBECPIBGTUXPIB-UHFFFAOYSA-N 443.613 3.513 0 40 IHAB CCc1ccc(C(=O)N2CCC3(CC2)NC(=O)N(Cc2ccc(Cl)cc2)C3=O)cc1 11694096 DFPJITZAZDPMIB-UHFFFAOYSA-N 425.916 3.629 0 40 IHAB COc1ccc(N2C[C@@H](c3nc4ccccc4n3CC(=O)N3CCC(C)CC3)CC2=O)cc1 12062095 QADMEUCODMSIJP-IBGZPJMESA-N 446.551 3.824 0 40 IHAB Cn1nc(-c2ccc(F)cc2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)NCc1ccccc1 12602124 DGODNMFOARJOKI-WWNPGLIZSA-N 447.558 3.903 0 40 IHAB biogenic,in-vitro O=c1c2cnn(-c3cccc(C(F)(F)F)c3)c2ncn1Cc1cc(-c2ccco2)on1 12731664 CETCCDJEGWGICX-UHFFFAOYSA-N 427.342 3.897 0 40 IHAB CC(C)N(C(C)C)S(=O)(=O)c1ccc(N2CCC(C(=O)Nc3ccccc3)CC2)nc1 12792096 JAXHDIKBFGTIFB-UHFFFAOYSA-N 444.601 3.744 0 40 IHAB CCc1nc(C)c(C(C)=O)c(SCCC(=O)Nc2ccc(N3CCCC3=O)cc2)n1 12854302 LKUBIKZBSCRBOP-UHFFFAOYSA-N 426.542 3.798 0 40 IHAB Cc1c(NC(=O)[C@@H](C)Sc2ncnc3sccc23)c(=O)n(-c2ccccc2)n1C 13115456 RTALUNNDIRHPPQ-CYBMUJFWSA-N 425.539 3.608 0 40 IHAB COc1ccc(-n2c(SCC(=O)O)nc3sc4c(c3c2=O)C[C@@H](C(C)C)OC4)cc1 13552513 ZJRVXOQYTFKFOB-HNNXBMFYSA-N 446.550 3.730 0 40 IHAB COc1ccc(OC)c(C(=O)CN2CCC(n3nnc4cc(C(F)(F)F)ccc43)CC2)c1 13561725 RONYEQZSQWJQJT-UHFFFAOYSA-N 448.445 3.987 0 40 IHAB O=C(O)c1cccc(-c2ccc(CNCCCSc3nnnn3-c3ccccc3)o2)c1 13730404 QPTMIVNZDZDLHL-UHFFFAOYSA-N 435.509 3.893 0 40 IHAB Cc1cc(Br)ccc1NC(=O)CN(C)[C@@H](C(=O)NC1CC1)c1ccccc1 14085336 NCPLYVJIYVPDFL-HXUWFJFHSA-N 430.346 3.648 0 40 IHAB CCn1nnc(NC(=S)NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)n1 17101130 FFYHYXJNCZJOFY-GQCTYLIASA-N 437.312 3.786 0 40 IHAB CC[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1)c1ccc(OC)cc1 18131861 KBAUNWWMMFGKDT-QFIPXVFZSA-N 426.538 3.736 0 40 IHAB COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CCN1CCN(C2CCCCC2)CC1 19371810 FDZVUOCOEGXCBN-UHFFFAOYSA-N 446.979 3.887 0 40 IHAB CCC[C@@]1(C(=O)OCC)N[C@@H](c2ccccc2F)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 19502044 ILKNXVBYDHWGND-AZXNSQLWSA-N 442.462 3.517 0 40 IHAB CCNC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)c2cnc(C)nc2C)C1 19529090 IUUPSMKYRKREGE-HHHXNRCGSA-N 442.563 3.972 0 40 IHAB COc1ccc(OC)c(C(=O)N2CCNC(=O)[C@@H](Cc3cccc(-c4ccccc4)c3)C2)c1 19551074 RPWOOMSVRVZYQV-QFIPXVFZSA-N 444.531 3.802 0 40 IHAB CNC(=O)[C@@]1(Cc2ccc(-c3ccc(OC)cc3)cc2)CCCN(Cc2cnn(C)c2)C1 19591354 OLNRIIRBVUHAOV-AREMUKBSSA-N 432.568 3.667 0 40 IHAB Cc1ccc(Cc2ccc([C@@H]3CN(C(=O)c4cnn5c(C)cc(C)nc45)CCO3)nc2)cc1 19692340 QNDVTDQWLBGHAW-DEOSSOPVSA-N 441.535 3.854 0 40 IHAB Cc1ccccc1OCCN1C(=O)CCc2c(C)nc(CN(C)Cc3ccc(O)cc3)nc21 19703455 RLSMQDYUWAKQTB-UHFFFAOYSA-N 446.551 3.789 0 40 IHAB Cc1ccc(CN2C(=O)CCc3c(C)nc([C@H]4CCCN4C(=O)c4ccccn4)nc32)cc1 19740369 HHENEJSILGYLIK-JOCHJYFZSA-N 441.535 3.945 0 40 IHAB COCCNC(=O)c1cc([C@H]2CCN(Cc3cccc(C)c3OC)C2)nc2ccccc12 19761961 VNABSNBCJFNBNN-IBGZPJMESA-N 433.552 3.918 0 40 IHAB Cc1ccccc1Nc1nc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cs1 19849853 UDHYSFPQOAPLRN-UHFFFAOYSA-N 436.537 3.882 0 40 IHAB Cc1ccc(C)c(N(CCCC(=O)NCc2ccc(OC(C)C)cc2)S(C)(=O)=O)c1 20456856 AQOBUAXDVISTEI-UHFFFAOYSA-N 432.586 3.953 0 40 IHAB CCOC(=O)c1cc(O[C@@H](C)C(=O)N(C)Cc2cccc(F)c2)cc(C(=O)OCC)c1 22040087 MYKJZWAVQUZOBZ-HNNXBMFYSA-N 431.460 3.605 0 40 IHAB CCSc1ccccc1C(=O)Nc1c2c(nn1CC(=O)NCc1ccco1)CSC2 23139414 PVJRURYNPGAUCG-UHFFFAOYSA-N 442.566 3.904 0 40 IHAB CC(C)C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O)c1ccccc1 23290697 RTTYAGJXRBDKLW-GJZUVCINSA-N 433.552 3.846 0 40 IHAB COCCCN1C(=O)c2ccc(C(=O)N(C)Cc3cccc(Cl)c3Cl)cc2C1=O 24003653 JRUAYVJDTCEADW-UHFFFAOYSA-N 435.307 3.898 0 40 IHAB COc1ccc([C@@H]2CCCCCN2C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)cc1 24775147 YTELFJZWRTVSNX-RXVVDRJESA-N 436.508 3.921 0 40 IHAB C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)Nc1ccccc1OC(F)(F)F 32809349 YKVMBWSOMSRRQM-NRFANRHFSA-N 447.413 3.913 0 40 IHAB Cc1ccc(-c2cc(C(=O)NCc3ccc(Cl)cc3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 33325535 JZDGXUUHXBUQBL-LJQANCHMSA-N 443.956 3.802 0 40 IHAB COc1cc(/C=C(\C(=O)OCC(N)=O)c2ccc(-c3ccccc3)cc2)cc(OC)c1OC 34760710 JQNLGAYBQABJGO-BKUYFWCQSA-N 447.487 3.949 0 40 IHAB Cc1ccc(F)cc1NC(=O)Cn1nc2c(Oc3ccccc3)nc3ccccc3n2c1=O 35425128 CEBUKJAXTCTOOI-UHFFFAOYSA-N 443.438 3.923 0 40 IHAB Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1nn(C)c2c1[C@H](c1cccs1)CC(=O)N2 36705602 PUABYFDLAVSHAC-ZDUSSCGKSA-N 433.493 3.567 0 40 IHAB COC(=O)C[C@H](NC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)c1ccccc1 40141728 OFGNOFCUUVLETP-IBGZPJMESA-N 425.435 3.673 0 40 IHAB Cc1cc(C(=O)NC2CCN([C@H](C)C(=O)Nc3cc(Cl)ccc3Cl)CC2)no1 48332976 GPAUIZJCJHERGZ-GFCCVEGCSA-N 425.316 3.511 0 40 IHAB Cn1c(=O)n(CCC(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)c2ccccc21 48361878 BNHQVJHKGOGHEW-INIZCTEOSA-N 436.537 3.552 0 40 IHAB COc1cccc(-c2noc(Cn3c(=O)n(-c4ccc(C)cc4)c(=O)c4sccc43)n2)c1 48986442 FEUYMUKLSMCEFV-UHFFFAOYSA-N 446.488 3.629 0 40 IHAB Cc1nc(Cc2ccccc2)sc1C(=O)NCc1ccc(N2CCCN(C)CC2)nc1 58106583 KWPNURMQUINWKK-UHFFFAOYSA-N 435.597 3.509 0 40 IHAB O=C(Nc1nnc(-c2ccccn2)s1)N1CCN(c2ncc(Cl)cc2Cl)CC1 58134927 GLGLZBABZJHTNZ-UHFFFAOYSA-N 436.328 3.656 0 40 IHAB CCOc1ccccc1N1CCN([C@H](C)C(=O)Nc2ccc(Br)cc2)CC1 58159072 MGHMCQSQFHRBKH-MRXNPFEDSA-N 432.362 3.997 0 40 IHAB COC(=O)c1cccc(/N=c2\oc3c(OC)cccc3cc2C(=O)NCc2ccco2)c1 67298980 CQTZALZZUGGHMZ-RWEWTDSWSA-N 432.432 3.983 0 40 IHAB COc1ccc(-n2nc(C(=O)O)c3c2CN(c2ccc(N4CCCCC4=O)cc2)CC3)cc1 89228495 OPRDJTMRBQXPKS-UHFFFAOYSA-N 446.507 3.659 0 40 IHAB O=C(OCC(=O)c1cccs1)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 89861199 BAWKTCSYTYLQOJ-UHFFFAOYSA-N 441.530 3.535 0 40 IHAB COC(=O)c1c(C)[nH]c(-c2cc(OC)c(OC)c(OC)c2)c1[C@H]1C(=O)Nc2ccccc21 100791538 AZEYUZWGGNXWLR-IBGZPJMESA-N 436.464 3.887 0 40 IHAB biogenic CCc1ccc(OC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1 102077290 SIFNWVZFBSLBLO-BXWIXXPZSA-N 441.527 3.819 0 40 IHAB C[C@@H](C(=O)N1CCc2ccccc2C1)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 220429279 MPQKHXLJWDYBNP-ZDUSSCGKSA-N 427.353 3.733 0 40 IHAB CC[C@@H](C(=O)Nc1ccccc1Br)N(c1cccc(C)c1)S(C)(=O)=O 220497453 COCAJZGMBIEYHI-KRWDZBQOSA-N 425.348 3.941 0 40 IHAB COC(=O)c1cn(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c2ccccc12 222628572 MYGJSLOCUBFMKI-LJQANCHMSA-N 446.912 3.575 0 40 IHAB C[C@H](C(=O)NCCOc1cccc2ccccc12)N(c1cccc(Cl)c1)S(C)(=O)=O 223531661 NKVUWAGXGHTWKC-MRXNPFEDSA-N 446.956 3.843 0 40 IHAB COc1cccc(CN(C)C(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3F)c2)c1 224489496 HZBUSUWQRVSZMZ-UHFFFAOYSA-N 442.512 3.932 0 40 IHAB CCN(CC(=O)NCc1cccc2ccccc12)S(=O)(=O)c1ccc(OC)c(Cl)c1 226071012 CSSPDWXMFINHLZ-UHFFFAOYSA-N 446.956 3.829 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N3c4ccccc4C[C@@H]3C)CC2)cc1Cl 226079723 BHUJWXUSAAFMIP-HNNXBMFYSA-N 448.972 3.727 0 40 IHAB CCn1nc(C)cc1NC(=O)C(C)(C)Oc1nn(-c2ccccc2)cc1Br 227159789 ITBZGCAERGIDFN-UHFFFAOYSA-N 432.322 3.956 0 40 IHAB Cc1nc([C@H]2CCCN(C(=O)C3CCCC3)C2)nc(C)c1CC(=O)NC1CCCCC1 257249655 JJGHXFTXGWBMMF-FQEVSTJZSA-N 426.605 3.981 0 40 IHAB CCc1nnc(Nc2cccc([C@H]3CCCN(C(=O)Cc4c(C)noc4C)C3)n2)s1 257249764 JJRHMHSEZCIAHS-HNNXBMFYSA-N 426.546 3.793 0 40 IHAB CCc1ccc(N([C@H](C)C(=O)NCc2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 260790615 FDATVAHBXLCYNK-CQSZACIVSA-N 428.476 3.739 0 40 IHAB CC(C)n1nccc1[C@@H]1CN(Cc2ccco2)C[C@]12CCCN(Cc1ccncc1)C2=O 306128460 HAWHAWUNZGGZPB-WIOPSUGQSA-N 433.556 3.860 0 40 IHAB CCn1nccc1-c1nc(C2CCN(C(=O)c3ccccc3Br)CC2)no1 390826673 BCFHQWKTFALANI-UHFFFAOYSA-N 430.306 3.735 0 40 IHAB CC1CCN(S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)c(Cl)c3)cc2)CC1 408616961 BRUIPSKREJWKSY-UHFFFAOYSA-N 440.924 3.917 0 40 IHAB CC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 408662511 DYRSCNPDUVTMGN-UHFFFAOYSA-N 436.386 3.809 0 40 IHAB CCc1cccc2c(/C=C3\SC(=O)N(CC)C3=O)cn(CC(=O)NC[C@H]3CCCO3)c12 409125829 ADMDSDBWPBBKGD-HPKGMJOESA-N 441.553 3.555 0 40 IHAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)ccc1OCc1ccccc1F 409126687 FKISBOGPLVFPAU-VCHYOVAHSA-N 431.441 3.924 0 40 IHAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)Nc2c(Cl)cccc2Cl)cc1 409206874 MTUMAMYSRFPYKD-UHFFFAOYSA-N 431.341 3.945 0 40 IHAB Cc1cc(C)cc(C(=O)N2CC[C@@]3(CCc4nnc(C(=O)NC5CCCCC5)n4CC3)C2)c1 585106733 GVPCBONLHSFXRR-AREMUKBSSA-N 449.599 3.826 0 40 IHAB COc1cc(CN(C)C[C@@H](O)Cn2c(C)c(C)c3ccccc32)ccc1OCCN(C)C 585270844 BVEOJHOEHPYWJD-JOCHJYFZSA-N 439.600 3.700 0 40 IHAB CC(C)(C)OC(=O)N[C](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1560405395 VQROWBDMGPCPMR-UHFFFAOYSA-N 425.461 3.666 0 40 IHAB Cn1cncc1CN1CCC(N2C(=O)NCCOc3ccccc3[C@@H]2c2ccccc2)CC1 2037978369 SITWXOMHOKGDEY-VWLOTQADSA-N 445.567 3.578 0 40 IHAB CCC[C@@H](NC(=O)COc1ccc2c(-c3ccc(OC)cc3)cc(=O)oc2c1C)C(=O)O 2113863 AZBXUQJVCALLEO-LJQANCHMSA-N 439.464 3.525 0 40 IHAB biogenic Cc1ccc(-c2csc(NC(=O)COC(=O)[C@@H](NC(=O)c3ccco3)C(C)C)n2)cc1 2662010 ONSSMYUYPNHJRL-IBGZPJMESA-N 441.509 3.648 0 40 IHAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 3224120 MJMCYCRURMKAOI-AUSIDOKSSA-N 442.515 3.549 0 40 IHAB CNC(=O)NC(=O)[C@@H](OC(=O)c1cc(-c2ccco2)nc2ccccc12)c1ccccc1 3557780 NKALTQUYRQGFJR-NRFANRHFSA-N 429.432 3.849 0 40 IHAB CCOC(=O)CN1C(=O)[C@@H](Sc2nc(-c3cccc(C)c3)n[nH]2)CCc2ccccc21 8681099 JRDAECDPTXTICE-IBGZPJMESA-N 436.537 3.783 0 40 IHAB CCn1c(SCc2nnc(-c3ccc(Cl)cc3)o2)nc2cc(S(N)(=O)=O)ccc21 8719928 DKQIAVDEYNQBFD-UHFFFAOYSA-N 449.945 3.699 0 40 IHAB COC(=O)c1ccc2nc(NC(=O)c3cccc(I)c3)sc2c1 8904215 RDBYUUILNFPLRJ-UHFFFAOYSA-N 438.246 3.940 0 40 IHAB C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)c2ccc3c(c2)OCCCO3)C1=O 9257433 GEPYOVQHRIHYLR-RUZDIDTESA-N 430.460 3.651 0 40 IHAB CSc1ccccc1NC(=O)CSc1nnc([C@H](C)NC(=O)c2ccccc2)n1C 9263253 PLCASWUSYZTLFO-AWEZNQCLSA-N 441.582 3.759 0 40 IHAB O=C(COC(=O)CCCN1C(=O)c2ccccc2C1=O)Nc1ccccc1-c1ccccc1 9284094 FSWPXBKXLTXPND-UHFFFAOYSA-N 442.471 3.912 0 40 IHAB COc1cc(Cl)c(C)cc1NC(=O)CN1C(=O)N[C@](C)(c2ccccc2Cl)C1=O 9486945 UHMGNNFYTNBSQY-HXUWFJFHSA-N 436.295 3.716 0 40 IHAB NS(=O)(=O)c1cc(C(=O)OCc2ncc(-c3ccc(Cl)cc3)o2)ccc1Cl 9640282 YWWVARZDLAZFGR-UHFFFAOYSA-N 427.265 3.653 0 40 IHAB Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2C(=O)NC2CCCC2)n1C 9691845 GFABDIUOVUEKCF-UHFFFAOYSA-N 439.541 3.787 0 40 IHAB COc1ccc(-n2c(=O)c(CCC(=O)Nc3nc4ccccc4[nH]3)nc3ccccc32)cc1 10021908 VJPPXBDPBHLBDO-UHFFFAOYSA-N 439.475 3.842 0 40 IHAB Cc1ccc([C@H](NC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)C2CC2)cc1 11234575 RNHUEVDOKHPVOC-QFIPXVFZSA-N 430.545 3.802 0 40 IHAB O=C(c1ccccc1)C1CCN(C(=O)NCCc2cc(Cl)c3c(c2)OCCO3)CC1 11608050 AHYJSGANPCKERH-UHFFFAOYSA-N 428.916 3.958 0 40 IHAB O=C(c1ccc(Cl)cc1Cl)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1 11697647 RTVXMGNUPPCPMV-UHFFFAOYSA-N 429.311 3.884 0 40 IHAB CN(Cc1nnc2n1CCCCC2)C(=O)Cn1c(COc2ccccc2)nc2ccccc21 12535602 IFINSCCSYJDLHW-UHFFFAOYSA-N 444.539 3.592 0 40 IHAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cc(Cl)ccc1N1CCN(C)CC1 12558251 HBMVPHMXYNLFKA-QHCPKHFHSA-N 438.959 3.995 0 40 IHAB O=C(CN1CCN(c2ccccc2O)CC1)N1CCC[C@@H](c2nc3ccccc3s2)C1 12589901 QZGGEAJIJHPUEH-GOSISDBHSA-N 436.581 3.530 0 40 IHAB CCc1ccc(-c2n[nH]c(S[C@H](C)C(=O)N3CCN(Cc4ccccc4)CC3)n2)cc1 12617983 GWSGJTGFFHFJIO-GOSISDBHSA-N 435.597 3.859 0 40 IHAB COc1ccc([C@H](NC(=O)Cn2nnc(-c3ccccc3Cl)n2)c2ccccc2)cc1 12683497 QAJCRUPXVWZPCH-JOCHJYFZSA-N 433.899 3.908 0 40 IHAB CCOC(=O)Cc1csc(NC(=O)[C@H]2CC(=O)N(c3ccccc3[C@H](C)CC)C2)n1 12734782 NCKOGZLDFWISLP-CABCVRRESA-N 429.542 3.754 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1 12797546 YOTVLPSGQYXVSZ-AWEZNQCLSA-N 440.949 3.785 0 40 IHAB COc1ccccc1N(CC(=O)N[C@H]1CCCC[C@@H]1C)S(=O)(=O)c1ccc(C)cc1 12799519 YPFCQWXLVUUICW-ICSRJNTNSA-N 430.570 3.894 0 40 IHAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 12812573 DNKWNHKWZQVBCY-CQSZACIVSA-N 429.325 3.703 0 40 IHAB CC(C)CCNC(=O)CN(C(=O)CCC(=O)Nc1ccccn1)c1ccc(F)c(Cl)c1 13151157 WZNORZDVHGCRDC-UHFFFAOYSA-N 448.926 3.788 0 40 IHAB COc1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CCc3ccccc3C2)cc1OC 13496237 DTUGKIKZMXZHQH-VWLOTQADSA-N 441.535 3.886 0 40 IHAB CCOc1ccc(-c2nnc(SCC(=O)Nc3cccc(Br)c3)n2N)cc1 13514162 DHNIVLINIRGUHY-UHFFFAOYSA-N 448.346 3.551 0 40 IHAB CC[C@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)NC1CCCC1 13556900 ZKDFEQXJJGTFOU-JKXQAPCPSA-N 443.613 3.625 0 40 IHAB COc1cccc(NC(=O)COc2ccc(C(=O)NCC3(N(C)C)CCCCC3)cc2)c1 14050739 HFSVIZKZUMOLLJ-UHFFFAOYSA-N 439.556 3.707 0 40 IHAB COc1ccc([C@H](CNC(=O)c2cc(C3CC3)nn2-c2ccccc2)N2CCOCC2)cc1 14141777 FDHCTGXRVOSCRU-VWLOTQADSA-N 446.551 3.562 0 40 IHAB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)NC[C@H]1CCCO1 16437556 ZYXXJHPQFGNASO-INDWDQIESA-N 446.257 3.819 0 40 IHAB COc1ccccc1NC(=O)c1ccc(S(=O)(=O)c2ccc(Br)cc2)nc1 16843911 PWBQLIYYRMGIGO-UHFFFAOYSA-N 447.310 3.938 0 40 IHAB COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cc(C)ccc2C)cc(OC)c1OC 16956961 BXAARKZTYAVRJH-HXUWFJFHSA-N 425.485 3.596 0 40 IHAB C[C@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(NC(=O)[C@@H]2COc3ccccc3C2)cc1 16963050 YQXMYIKKCPMNQP-SCTDSRPQSA-N 428.554 3.828 0 40 IHAB COc1ccc([C@@H](CNC(=O)CCc2nc(-c3ccc(C)cc3)no2)N2CCCC2)cc1 17911894 AUMVAORDQWBZJW-JOCHJYFZSA-N 434.540 3.940 0 40 IHAB CCN1CCN(C(=O)c2snnc2C)C[C@@H](Cc2ccc(-c3cccs3)cc2)C1=O 19527422 UUEWQTGQIVTHSF-GOSISDBHSA-N 440.594 3.738 0 40 IHAB CCOC(=O)c1cc(Cl)cnc1C1CCN(C(=O)c2ccc(C(=O)OC)cc2)CC1 19530744 HQCLMLGVVXYYRJ-UHFFFAOYSA-N 430.888 3.718 0 40 IHAB CCN1CCN(C(=O)c2cncn2CC)C[C@@H](Cc2ccc(-c3cccs3)cc2)C1=O 19578431 RYAIPGXLGIJSOW-HXUWFJFHSA-N 436.581 3.795 0 40 IHAB Cc1c(C(=O)N2CCC[C@@H](c3cc(O)nc(C4CCN(C)CC4)n3)C2)c2ccccc2n1C 19581725 ILNFBJFQCIMJKT-LJQANCHMSA-N 447.583 3.811 0 40 IHAB COc1ccc(CN2CCN(C)C(=O)[C@H](Cc3cccc(-c4cccnc4)c3)C2)cc1OC 19589546 HNHOUBHYCWGBRF-XMMPIXPASA-N 445.563 3.899 0 40 IHAB 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CCc1noc(-c2ccc(SCC(=O)N3CCN(c4cccc(C)c4C)CC3)nc2)n1 49405596 GXRPXYOFZVACFX-UHFFFAOYSA-N 437.569 3.752 0 40 IHAB CCN(Cc1nc(=O)c2ccccc2[nH]1)C[C@H](O)COc1ccc(-c2ccccc2)cc1 57371894 GCPDFACQZYCNMR-NRFANRHFSA-N 429.520 3.852 0 40 IHAB CCC[C@H](NC(=O)[C@H](C)Sc1nnc(N2CCOCC2)n1CC(C)C)c1ccccc1 57865017 AZCSFXJLWBGOFZ-ICSRJNTNSA-N 445.633 3.909 0 40 IHAB COc1cc(CCC(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)cc(OC)c1OC 58129647 KQBIHBUJSCLGHD-OAQYLSRUSA-N 426.557 3.673 0 40 IHAB CCOC(=O)c1c(NC(=O)CSc2nnc(-c3ccccn3)o2)sc2c1CCCC2 59200393 XTAPHRLAYYFQDK-UHFFFAOYSA-N 444.538 3.979 0 40 IHAB CCOc1c(Br)cc(/C=C/C(=O)Nc2nc(CC(=O)O)cs2)cc1OC 62714743 ZAGMDTOTKMNZIH-SNAWJCMRSA-N 441.303 3.592 0 40 IHAB O=C(COc1coc(CN2CCCC2)cc1=O)Nc1cc(C(F)(F)F)ccc1Cl 71287687 BQXSLLBSGXJRPM-UHFFFAOYSA-N 430.810 3.925 0 40 IHAB C[C@@H](NC(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)c1nc2ccccc2n1C 72288899 IKYYCSWXQPEQTI-VLYLVFLISA-N 434.584 3.958 0 40 IHAB COc1ccccc1CNC(=O)c1cnc([C@H]2CCCN2C(=O)Cc2ccccc2)nc1C 72345384 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COC(=O)c1cc(OC)c(OC)cc1N(C)S(=O)(=O)c1cc(Cl)ccc1Cl 224945450 UDZQZZUWVOHCTC-UHFFFAOYSA-N 434.297 3.622 0 40 IHAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)COc1ccc(OC)cc1 225572153 SMNRMGXJYFFVBR-VWLOTQADSA-N 446.547 3.769 0 40 IHAB CC[C@@H](NC(=S)Nc1ccc(C)c(N2CCCC2=O)c1)c1ccc(S(C)(=O)=O)cc1 225725472 GLEMHQRPDDMQCD-LJQANCHMSA-N 445.610 3.963 0 40 IHAB Cc1nc(N2CCN(C(=O)c3ccccc3Br)CC2)cc(C(F)(F)F)n1 225733392 OWFWIERXFGEMAC-UHFFFAOYSA-N 429.240 3.529 0 40 IHAB CCOC(=O)c1cccc(NC(=S)NCc2ccc(OC3CCN(C)CC3)cc2)c1 225773170 VLJPVMSAABYMQO-UHFFFAOYSA-N 427.570 3.823 0 40 IHAB C[C@H]1C[C@@H](C)CN(c2cc(Cl)nc(NC(=S)NCc3ccc4c(c3)OCO4)n2)C1 226013852 QLIYAOMAQRSQIE-BETUJISGSA-N 433.965 3.828 0 40 IHAB CCc1cc(Br)cc(C)c1NC(=O)CCc1ccc(S(=O)(=O)NC)cc1 226050894 YSJOTIUHLYPVCV-UHFFFAOYSA-N 439.375 3.799 0 40 IHAB CCOC[C@]1(C(N)=S)[C@@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242750533 ZRBWAJFJOXJGTB-NSHGMRRFSA-N 439.986 3.597 0 40 IHAB CC[C@H](Oc1ccccc1F)C(=O)N1CCC(c2cncc(Nc3ncccn3)n2)CC1 257228294 FTIDTRALAXGUPA-IBGZPJMESA-N 436.491 3.713 0 40 IHAB c1ccc(COc2ccccc2CN2CCOC[C@@H](Cc3cccn4nccc34)C2)nc1 257242068 IAYDBXUTUSFYJP-NRFANRHFSA-N 428.536 3.999 0 40 IHAB Cc1ccc(NC(=O)CN2CCC3(CC2)CCC(C)(C)N(S(=O)(=O)CC(C)C)C3)cc1 257245447 IPOISXMCXUQXAO-UHFFFAOYSA-N 449.661 3.876 0 40 IHAB Cc1nc([C@@H]2CCN(C(=O)c3cccnc3)C2)nc2c1CCC(=O)N2CC1CCCCC1 257248155 JCJLCEDPWCMQHK-HXUWFJFHSA-N 433.556 3.669 0 40 IHAB CNC(=O)c1cccc([C@H]2CN(C(=O)C(C)(c3ccccc3)c3ccccc3)CCN2C)c1 257342496 ZOYMTKIIMHQIJJ-RUZDIDTESA-N 441.575 3.868 0 40 IHAB Cc1ccc(N([C@H](C)C(=O)NCCOc2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1 260796005 PYDJRHXWAFZESL-GOSISDBHSA-N 432.586 3.642 0 40 IHAB COC(=O)COc1c(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)cccc1OC 408533016 PFCXTAZMMJAJDK-LICLKQGHSA-N 431.441 3.623 0 40 IHAB COc1ccc(C(=O)[C@@H](C)N(C(=O)c2ccc(Cl)cc2)N2C(=O)CCCC2=O)cc1 408643143 FPQROUVNKUKGAA-CQSZACIVSA-N 428.872 3.516 0 40 IHAB Cc1ccccc1NC(=O)COC(=O)CCC(=O)Nc1cccc(C(=O)OCC(C)C)c1 408656639 GCBZSGJCVYHBJC-UHFFFAOYSA-N 440.496 3.708 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 408682573 ZHGWQKUPCZTREM-UHFFFAOYSA-N 438.933 3.702 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3Br)C2)cc1 409241621 KODVZARTGGRAOQ-HNNXBMFYSA-N 437.359 3.797 0 40 IHAB CCCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(Br)cc2F)cc1 409253561 WXUBVUMAPDAAMN-UHFFFAOYSA-N 443.338 3.848 0 40 IHAB COc1ccc(OC)c(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)c1 409350973 WPXVCJPQUQYRAM-YBFXNURJSA-N 426.494 3.996 0 40 IHAB CCCNC(=O)CN1CCC(NC(=O)Nc2cc(F)ccc2Oc2ccccc2)CC1 590144819 YHBNVOPACZACAC-UHFFFAOYSA-N 428.508 3.730 0 40 IHAB CC(C)Cc1cc(C(=O)N2CCCCNC(=O)c3cc(Cl)ccc3OCCC2)on1 643559035 ZSWJPEIXGIKYTA-UHFFFAOYSA-N 433.936 3.961 0 40 IHAB COc1ccc(Br)cc1[C@H]1CCCN1C(=O)[C@@H]1CC(c2ccccn2)=NO1 1544716667 YDJJNKMCZDVKHH-MJGOQNOKSA-N 430.302 3.709 0 40 IHAB CCN(c1ccccc1)c1nc2nonc2nc1Nc1c(C)n(C)n(-c2ccccc2)c1=O 1277927 IMOMCTDLULTIIE-UHFFFAOYSA-N 442.483 3.712 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)NC(C)(C)C)c2ccc(Br)cc2)cc1 2064761 ANFVUQCZCAHCPC-UHFFFAOYSA-N 439.375 3.868 0 40 IHAB COc1ccccc1C(=O)NC(=S)Nc1cccc(-c2nn3c(C)nnc3s2)c1C 2214789 AIZOCGRPQCIFAO-UHFFFAOYSA-N 438.538 3.605 0 40 IHAB CCOC(=O)c1ccc(-n2c(N)c(C(=O)O[C@@H](C)COC)c3nc4ccccc4nc32)cc1 2358792 BELJFQVCIUCGAZ-AWEZNQCLSA-N 448.479 3.524 0 40 IHAB Cc1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@@H](C(=O)c1ccc3c(c1)OCCO3)S2 3337736 PLWOBOHZWJEHQR-HKUYNNGSSA-N 428.901 3.653 0 40 IHAB Cc1cccc(NC(=O)CNC(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)c1C 3427794 NOBBGDVHWVDACO-UHFFFAOYSA-N 435.553 3.609 0 40 IHAB O=C(CCCSc1nnc(-c2cccs2)n1Cc1ccccc1)N1CCOCC1 3504403 WBQKGEXKBVEWPY-UHFFFAOYSA-N 428.583 3.786 0 40 IHAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)N(C)Cc3ccc(Cl)cc3)s2)c1 8594562 PYPJRDAMCVXYGP-UHFFFAOYSA-N 436.946 3.573 0 40 IHAB aggregator COc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1 8705630 MKQONQJRDMNBOM-UHFFFAOYSA-N 436.839 3.627 0 40 IHAB COCCn1c(SCC(=O)Nc2ccc3c(c2)CCC3)nc2sc(C)c(C)c2c1=O 8719425 YBYFKDUPAKMPHX-UHFFFAOYSA-N 443.594 3.941 0 40 IHAB COc1cc(/C=C/C(=O)N2CCC[C@H]2c2nc3ccccc3s2)ccc1OCC(N)=O 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CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(Cl)c1OC 12411406 YLUOVOFQNKZEJF-LICLKQGHSA-N 443.887 3.587 0 40 IHAB COc1ccc(CC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)cc1OC 12540453 QPNRXMRKJJLPTN-UHFFFAOYSA-N 446.569 3.758 0 40 IHAB Cc1sc2ncnc(N3CCC(C(=O)OCc4nc(N)c5ccccc5n4)CC3)c2c1C 12545987 FTPGTFLVJUCIJX-UHFFFAOYSA-N 448.552 3.793 0 40 IHAB O=C(CN1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21)Nc1ccc(C(F)(F)F)cc1 12561655 YNVILBHKELFYKX-FQEVSTJZSA-N 447.457 3.924 0 40 IHAB O=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)c1cc(F)c(F)cc1Cl 12606908 PZARJTGRMKAQJW-UHFFFAOYSA-N 437.874 3.544 0 40 IHAB O=C(Nc1ccc(CNS(=O)(=O)c2ccccc2Br)cc1)c1ccco1 12817625 GQXWBRSCNQDNPH-UHFFFAOYSA-N 435.299 3.773 0 40 IHAB CCc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 12818825 WXQIICBMLJQGAN-UHFFFAOYSA-N 443.352 3.829 0 40 IHAB Cc1ccsc1[C@@H](C(=O)NC(C)(C)C)N(Cc1cccnc1)C(=O)c1csnn1 12874743 PVMYCXJQHSZKMS-INIZCTEOSA-N 429.571 3.601 0 40 IHAB COc1ccc(C(=O)N2CCN(Cn3nc(-c4cccc(Cl)c4)oc3=S)CC2)cc1 12914082 AEWNRKWTAHPFEL-UHFFFAOYSA-N 444.944 3.950 0 40 IHAB C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccc(Cl)cc1 12926390 MZMNCZSEVYXCNN-CYBMUJFWSA-N 443.352 3.505 0 40 IHAB CN(C)S(=O)(=O)c1ccc(OCCOC(=O)c2cc(C3CC3)nc3ccccc23)cc1 12996036 QTTOQAZNQPKGIA-UHFFFAOYSA-N 440.521 3.598 0 40 IHAB CC[C@H](C)c1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)Nc3ccccc3C)CC2)cc1 13039957 HPZFNOKLOLNXCR-AZUAARDMSA-N 443.613 3.842 0 40 IHAB COC[C@@H](C)NC(=S)NC[C@H](c1cccc(OC)c1OC)c1c[nH]c2ccccc12 13057970 USQITYHTFRBVAH-DNVCBOLYSA-N 427.570 3.816 0 40 IHAB CCOc1ccccc1CCCNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C 13669306 WVUIQFLJCJUHTG-UHFFFAOYSA-N 444.597 3.931 0 40 IHAB O=C(NCCC(=O)N1CCC(C(=O)c2ccccc2)CC1)c1ccc(Br)cc1 14410983 BVMAFDGOJBOZHM-UHFFFAOYSA-N 443.341 3.691 0 40 IHAB C[C@@H](NC(=O)CSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[nH]1)c1ccccc1 15634562 UDUHCMQNCWRQOK-CYBMUJFWSA-N 439.928 3.732 0 40 IHAB CCc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)N1CCc2ccccc2C1 15861497 NAAINJLVVQJIHG-UHFFFAOYSA-N 449.576 3.625 0 40 IHAB COc1ccc(C(=O)Oc2ccc(/C=c3\sc4nc5ccccc5n4c3=O)cc2)cc1 15932101 PGWNKXHSDKBDNM-STZFKDTASA-N 428.469 3.685 0 40 IHAB CCCn1nnc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)n1 17094280 HAUIJNCSJRVZDX-UHFFFAOYSA-N 425.301 3.777 0 40 IHAB CCc1ccccc1NC(=O)CN(C)C(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 17904700 MXFRKCSJPRGGDA-INIZCTEOSA-N 447.457 3.718 0 40 IHAB O=C(OCC(=O)N1CCc2ccccc21)c1cc(-c2ccccc2)c(N2CCOCC2)s1 19166171 VTBCSCJQVIFIPM-UHFFFAOYSA-N 448.544 3.998 0 40 IHAB COc1ccc(CC(=O)N[C@H](Cc2cc(=O)[nH]c(C)n2)c2ccc(Cl)cc2)cc1F 19285295 ALOXGXOBNUUVLN-LJQANCHMSA-N 429.879 3.522 0 40 IHAB O=C(CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21)Nc1ccc(N2CCCCCC2)cc1 19374609 NTAPXAIXAQSDHH-QHCPKHFHSA-N 446.551 3.657 0 40 IHAB CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCCN(C(=O)c2cccnc2)C1 19448879 IUYMVUIRXBYMST-AREMUKBSSA-N 443.551 3.528 0 40 IHAB CN(C)C(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)[C@@H]2CCCCO2)C1 19579815 OLTPGVCYQJFRKS-URXFXBBRSA-N 426.582 3.834 0 40 IHAB COc1ccc(C(=O)N2CC[C@@](Cc3ccc(-c4cccs4)cc3)(C(=O)N(C)C)C2)cn1 19580097 HKVUXCBUOVYRTP-VWLOTQADSA-N 449.576 3.982 0 40 IHAB COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2CN(C(=O)Cc3ccc(C)cc3)CCO2)cc1 19692748 POFVLJUQRLUBPQ-QHCPKHFHSA-N 446.551 3.669 0 40 IHAB Cc1nc([C@@]2(O)CCCN(C(=O)CN3CCCCC3)CC2)sc1COc1ccccc1 19705284 TZFAHWSOVZAIRA-XMMPIXPASA-N 443.613 3.717 0 40 IHAB CC[C@@H](NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O)c1ccc(OC)cc1 20450954 VRLWVWMAPWWIMF-GOSISDBHSA-N 444.475 3.748 0 40 IHAB Cn1cccc1[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1)N1CCc2ccccc2C1 21153559 PHBWYRCNMYFBFG-JOCHJYFZSA-N 429.973 3.756 0 40 IHAB O=C(OCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1cc(C2CC2)nc2ccccc12 21439498 NUPYAOIHBBDSAH-UHFFFAOYSA-N 433.483 3.757 0 40 IHAB O=C(CCNC(=O)c1ccco1)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F 22227091 MBQZECQPSOYOHN-UHFFFAOYSA-N 435.358 3.902 0 40 IHAB O=C1CCC(=O)N1Cc1ccc(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)cc1 23299688 XYWBQISKRMVYGF-UHFFFAOYSA-N 434.492 3.649 0 40 IHAB COc1ccccc1NC(=O)[C@H](C)OC(=O)CSCC(=O)Nc1ccc(C)cc1C 24170898 NLDIKZQQXHZLJP-INIZCTEOSA-N 430.526 3.554 0 40 IHAB O=C(Nc1ccccc1C(=O)NC1CC1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 26986384 PXXSVNHQDICNAF-UHFFFAOYSA-N 435.505 3.632 0 40 IHAB CCN(Cc1ccc(Cl)s1)C(=O)COC(=O)CNC(=O)c1ccc2ccccc2c1 27115621 MOMAKPPULYRPJD-UHFFFAOYSA-N 444.940 3.876 0 40 IHAB CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)NC[C@H](c1cccs1)N1CCCC1 32761180 XRHLUPSXIAEYEM-YLJYHZDGSA-N 435.540 3.734 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1C(=O)NCCNC(=O)c1ccc(C(F)(F)F)cc1 32909883 MNUBPBNSNGYUQK-UHFFFAOYSA-N 430.430 3.668 0 40 IHAB Cc1cccc(OCC(=O)Nc2cccc(OCc3cc(=O)n4ccc(C)cc4n3)c2)c1 33268617 KDHMHSBAFVVAFN-UHFFFAOYSA-N 429.476 3.908 0 40 IHAB CCn1ncc2c(C(=O)N(CCN3CCOCC3)C3CCCC3)cc(-c3ccccc3)nc21 36392871 LEACAAIHXAOJJH-UHFFFAOYSA-N 447.583 3.835 0 40 IHAB CS(=O)(=O)NCC1CCC(C(=O)NCCC(c2ccccc2)c2ccccc2)CC1 36709681 MANFWECMQUZMGE-UHFFFAOYSA-N 428.598 3.680 0 40 IHAB CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)COc2cccc(C(C)(C)C)c2)cc1 40049345 UKCBQWXROUJPHT-UHFFFAOYSA-N 432.586 3.507 0 40 IHAB COc1ccc(S(=O)(=O)NC2(c3ccc(Br)cc3)CCOCC2)cc1F 40155816 RJSXTOJYXJWQHX-UHFFFAOYSA-N 444.322 3.581 0 40 IHAB CCOc1ccccc1NC(=O)c1nnc2c(-c3ccc(OC)cc3)c(COC)nn2c1C 40372612 ZGRVZIFFGPRRBX-UHFFFAOYSA-N 447.495 3.906 0 40 IHAB Cc1cccc(NC(=O)c2cn(CC(=O)Nc3ccccc3)c3nc(C)ccc3c2=O)c1 49002105 KZINEVAZCRNDSW-UHFFFAOYSA-N 426.476 3.904 0 40 IHAB COc1ccc(CCNC(=O)c2ccccc2NC(=O)CNCc2ccc(F)cc2)cc1 58449051 WZMOEDXDQDBXMW-UHFFFAOYSA-N 435.499 3.535 0 40 IHAB Cc1ccc(C)c(NC(=O)Cn2cnc3nc(N(C)Cc4ccccc4)sc3c2=O)c1 67225751 LUMFIVKWVJIXBK-UHFFFAOYSA-N 433.537 3.745 0 40 IHAB Cc1ccccc1C1(O)CCN(C(=O)Cc2csc(NC(=O)c3ccoc3C)n2)CC1 84235203 WPCUAHWONVDPJH-UHFFFAOYSA-N 439.537 3.658 0 40 IHAB O=C(Cc1csc(N2CCCC2=O)n1)NC1(c2ccc(Br)cc2)CCC1 95364877 COGWCLCIJZZWMN-UHFFFAOYSA-N 434.359 3.771 0 40 IHAB Cc1cc(C)n2nc(CCCOC(=O)CN(C(=O)OC(C)(C)C)c3ccccc3)nc2n1 95997396 KFBYRZVAXLDISG-UHFFFAOYSA-N 439.516 3.659 0 40 IHAB CCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(O)cc4)[C@@H]3C2=O)cc1 100934150 RIWJAXKQAMZFDW-ZRBLBEILSA-N 430.460 3.842 0 40 IHAB CC(C)(C)OC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC(C)(C)C)[C@@H]1/C=C/c1ccccc1 105315528 XPPRYOYKKOSLAZ-ANXOHNRJSA-N 430.541 3.956 0 40 IHAB O=C1N[C@H](c2cccc(C(F)(F)F)c2)[C@@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1 106213482 WRFPKUKAJNLGHY-YWPYICTPSA-N 438.349 3.871 0 40 IHAB C[C@H](NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1)c1ccccc1 138710882 VECCFZPPEMVMEW-DZGCQCFKSA-N 435.307 3.767 0 40 IHAB CC[C@H](C(=O)N[C@H](C)COc1ccc(C)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 219124319 VHTNZGAGLHDRAJ-DENIHFKCSA-N 432.586 3.740 0 40 IHAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)COc1cc(OC)cc(OC)c1 222445110 DHGMSJWKRAYKJI-HSZRJFAPSA-N 442.556 3.723 0 40 IHAB COC(=O)c1ccc(Cl)c(NC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)c1 222556805 BJIDXHSKMOMDEJ-UHFFFAOYSA-N 438.933 3.620 0 40 IHAB Cc1ccc(Cl)cc1N(CC(=O)Nc1nnc(SCC(C)C)s1)S(C)(=O)=O 222661330 LXCKWBRCPGQXLN-UHFFFAOYSA-N 449.023 3.653 0 40 IHAB CN(C(=O)CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)c1ccc(F)cc1 222866501 OZCZTFCEOWRXDN-UHFFFAOYSA-N 426.513 3.900 0 40 IHAB CN(CC(=O)Nc1cc(-c2cccc(F)c2)[nH]n1)S(=O)(=O)c1ccc2ccccc2c1 223063234 QHCZYRRPAWOOHW-UHFFFAOYSA-N 438.484 3.628 0 40 IHAB COc1ccc(CN(C(C)=O)[C@H](C(=O)NCc2ccc3c(c2)OCO3)c2ccccc2)cc1 223543217 UGFBRXNZDZVEDH-VWLOTQADSA-N 446.503 3.830 0 40 IHAB CCc1ccc(N(CCCC(=O)NCCOc2cc(C)ccc2C)S(C)(=O)=O)cc1 224038236 WGRFLOIFJCCAAC-UHFFFAOYSA-N 432.586 3.607 0 40 IHAB CC[C@H](C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C)N(c1ccccc1)S(C)(=O)=O 225158386 HPHDIKIEVPHOAP-QGZVFWFLSA-N 447.582 3.827 0 40 IHAB COc1cccc(NC(=O)CCc2nc(-c3ccc(I)cc3)no2)c1 225838848 QDPYLOZVDLRVEJ-UHFFFAOYSA-N 449.248 3.921 0 40 IHAB CC1(C)c2sc(O)nc2S[C@@H]2[C@H]3C[C@@H]([C@@H]4C(=O)N(c5ccc(F)cc5)C(=O)[C@@H]43)[C@@H]21 253483689 AKMVJLNEUPAJMZ-CTTWBBHYSA-N 430.526 3.811 0 40 IHAB CCCC[C@](C)(O)[C@@H]1C[C@@]23C=C[C@@]1(OC)[C@@]1(C)Oc4c(O)ccc5c4[C@@]12CCN(C)[C@H]3C5 253504953 NODDVOPQRZIFJX-OLDXTNDDSA-N 439.596 3.944 0 40 IHAB biogenic,in-vitro O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCC(n2c(O)nc3ccsc3c2=O)CC1 253537703 MTUVDYSZSZHOKZ-UHFFFAOYSA-N 428.901 3.776 0 40 IHAB O=C(O)COc1ccccc1CN1[C@@H](Cc2ccc(F)cc2)C[C@H]2NC(=O)CCCC[C@@H]21 257201635 AIJYELUDTGUFEL-BDTNDASRSA-N 440.515 3.534 0 40 IHAB Cc1noc(CCC(=O)NC[C@H]2CC[C@H](c3cc(C(=O)N(C)C)c4ccccc4n3)CC2)n1 257235065 GWGNBYZPZPWYTB-IYARVYRRSA-N 449.555 3.651 0 40 IHAB Cc1csc(Nc2cccc([C@H]3CN(C(=O)c4[nH]nc5c4CCCCC5)CCO3)n2)n1 257305377 SPSSZTVBMXWRGC-GOSISDBHSA-N 438.557 3.796 0 40 IHAB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1cccs1 408641532 COTYPEACBGEEDN-YXUGBTPSSA-N 442.924 3.673 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccccc2C)cc1 408660553 AOYVKNWDNFOFRJ-UHFFFAOYSA-N 440.496 3.853 0 40 IHAB CCOc1ccccc1N1C[C@H](C(=O)OCC(=O)c2ccc(Br)cc2)CC1=O 408664964 ZAAGLSUMICZVJQ-OAHLLOKOSA-N 446.297 3.627 0 40 IHAB COc1ccc(C(=O)Nc2c(F)cccc2F)cc1S(=O)(=O)NCc1ccccc1 408675080 GHPKNVQAHVAUBR-UHFFFAOYSA-N 432.448 3.704 0 40 IHAB COCCCNC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C1=O 409202633 SINWNABEDNPSTP-BOPFTXTBSA-N 434.901 3.789 0 40 IHAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)OCC(C)C)C2=O)ccc1OC(F)F 409357547 ITZYQYQPIWCRTP-NVNXTCNLSA-N 429.441 3.922 0 40 IHAB C[C@H]1C[C@@H](N2CCOCC2)CN1c1nc(-c2cccnc2)nc2sc3c(c12)CCCC3 520442238 STPCUSPMWPFIHZ-FUHWJXTLSA-N 435.597 3.932 0 40 IHAB CCN1CCn2c(-c3cccc(F)c3)cnc2C12CCN(C(=O)c1ccc(C)nc1)CC2 2055795759 RNQVAVYCCGBKJD-UHFFFAOYSA-N 433.531 3.860 0 40 IHAB COc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)n1C 890117 NANXZWTYLBGUPJ-UHFFFAOYSA-N 448.932 3.892 0 40 IHAB COC(=O)c1ccc(CN2C(=O)C(Cl)=C(Nc3cccc(Br)c3)C2=O)cc1 937549 AETFTFXZCRFMIG-UHFFFAOYSA-N 449.688 3.667 0 40 IHAB O=C(Nc1ccc2c(c1)OCCO2)c1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1 1001416 HIAYUSFSIGYEEL-UHFFFAOYSA-N 432.432 3.734 0 40 IHAB COC(=O)C1=C(C)N=c2s/c(=C\c3cccc4ccccc34)c(=O)n2[C@H]1c1ccccc1 2059830 GKIVQYRQZVDMQG-RNHBDSLOSA-N 440.524 3.561 0 40 IHAB O=C(OCc1c(F)cccc1Cl)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 3377540 WAYFRKCTMXSDCU-UHFFFAOYSA-N 448.299 3.510 0 40 IHAB CC(=O)c1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccc(OC(F)F)cc3)n2N)cc1 3565287 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CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCO[C@H](C)C3)c2)cc1 9468241 CUZSXPDQRUQROO-GOSISDBHSA-N 430.570 3.999 0 40 IHAB COc1ccc(-c2cnnn2-c2ccc(C(=O)COC(=O)COc3ccccc3)cc2)cc1 9517186 WGIWUVKFMAYFIO-UHFFFAOYSA-N 443.459 3.748 0 40 IHAB COc1ccc(Cl)cc1NC(=O)c1nnn(Cc2ccc(Br)cc2)c1N 9748904 SKCNUAFCDTZUSL-UHFFFAOYSA-N 436.697 3.585 0 40 IHAB CC(=O)c1sc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)nc1-c1ccccc1 9753835 IUTAGTHGAKVNFK-UHFFFAOYSA-N 429.523 3.515 0 40 IHAB O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 9764704 SVRJMQUNAPNDJT-UHFFFAOYSA-N 442.516 3.613 0 40 IHAB CCOC(=O)NCc1ccc(S(=O)(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1 9850635 GZYHINZUJWIMID-UHFFFAOYSA-N 434.558 3.588 0 40 IHAB O=C1N[C@@]2(CCc3ccccc32)C(=O)N1CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 9867453 MGMSUZMKBYTRPZ-AREMUKBSSA-N 449.526 3.881 0 40 IHAB CN(C)CCN(C(=O)CCCS(=O)(=O)c1ccccc1)c1nc2c(F)cccc2s1 10218193 GSSOUIQZOMKJCP-UHFFFAOYSA-N 449.573 3.584 0 40 IHAB CCOc1ccccc1C(=O)NCC(=O)Nc1nc(-c2ccc(CCOC)cc2)cs1 11432706 DKAZURYXDYNOQL-UHFFFAOYSA-N 439.537 3.766 0 40 IHAB CC(=O)c1ccc(NC(=O)Cn2nc(C(C)C)c3cnn(-c4ccc(F)cc4)c3c2=O)cc1 12228985 UUYZOZOWLLXDLK-UHFFFAOYSA-N 447.470 3.686 0 40 IHAB COc1ccc2c(C)c(CCC(=O)O[C@@H](C)C(=O)N3CCCc4ccccc43)c(=O)oc2c1 12351118 HBHHNPOGQOAVOY-KRWDZBQOSA-N 449.503 3.954 0 40 IHAB Cc1c(N2C(=O)c3ccccc3[C@@]2(O)c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C 12372092 WRSKBELJWDFWOP-VWLOTQADSA-N 445.906 3.992 0 40 IHAB CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2)cc(Br)c1O 12464192 FFBMJIMMXPIMNS-QGZVFWFLSA-N 446.301 3.820 0 40 IHAB CCOC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@@H]1c1ccc(F)cc1 12554893 AAWRYDGRTQFZBA-HXUWFJFHSA-N 428.485 3.870 0 40 IHAB COc1ccc(NC(=O)CSCC(=O)Nc2ccc(Br)cc2F)cc1 12932232 HVDQITYHOBIYQX-UHFFFAOYSA-N 427.295 3.907 0 40 IHAB CC(C)C[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1Br)c1ccccc1 12975354 MRFIXDHBQGKUQF-KRWDZBQOSA-N 425.348 3.614 0 40 IHAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 13010606 IBDOBZYKANAKPP-QGZVFWFLSA-N 447.457 3.541 0 40 IHAB Cc1cc(C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)COc4cccc(F)c4)C3)cc2n1 13225523 GVBMUQYVQMAPSI-CQSZACIVSA-N 436.409 3.981 0 40 IHAB O=C(Nc1ccc(F)cc1)N(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C[C@H]1CCCO1 13502720 RNULTGRTXQQDSM-GOSISDBHSA-N 439.443 3.609 0 40 IHAB COc1ccc(-c2cc(=O)[nH]c(N3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)cc1 13611774 JWNDQZRXXZXPOP-UHFFFAOYSA-N 430.430 3.791 0 40 IHAB CC(C)Oc1ccc(C(=O)Nc2cc(-c3ccccc3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 13691817 LNLXJBXKTCSXBG-LJQANCHMSA-N 439.537 3.949 0 40 IHAB COC(=O)c1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 13713737 ILJJGQCDYHLQGO-VJBWXMMDSA-N 442.471 3.833 0 40 IHAB CCOc1ccc2nc(NC(=O)[C@H]3CC(=O)N(c4cc(OC)ccc4OC)C3)sc2c1 13941723 NAEVNPSEFPASCL-ZDUSSCGKSA-N 441.509 3.704 0 40 IHAB Cc1[nH]c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccc(Cl)s4)CC3)cc2c1C 15560054 SKYFXACSARXROZ-UHFFFAOYSA-N 437.974 3.646 0 40 IHAB Cc1cc(Cl)c2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@@H]2[C@@H]2CCCN21 16011775 MHTIKIKXWKZYCU-PBQROFAYSA-N 449.938 3.696 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2nc(CCC(=O)NCCc3ccccc3)cs2)cc1 16848602 KKKLEVUPSJHRSP-UHFFFAOYSA-N 429.567 3.544 0 40 IHAB COC(=O)c1c(NC(=O)CN(Cc2cccs2)C[C@H]2CCCO2)sc2c1CCC2 17307867 XTKVVOLZWKRQOT-CQSZACIVSA-N 434.583 3.705 0 40 IHAB Cc1ccc(-c2ccccc2C[C@H]2CN(C(=O)c3cc(C(C)C)n[nH]3)CCNC2=O)cc1 19212885 NLNKQAIXMHWJHH-NRFANRHFSA-N 430.552 3.939 0 40 IHAB O=C(c1ccccc1)N1CCC(c2cc3nc4c(c(O)n3n2)CN(C2CCCC2)CC4)CC1 19368690 FPWNTGIRGBOMGP-UHFFFAOYSA-N 445.567 3.755 0 40 IHAB O=C(CN1C(=O)[C@H]2CCCN2C(=O)c2ccccc21)Nc1ccccc1-c1ccccc1 19374321 MJAIMWQZKTWRIU-HSZRJFAPSA-N 425.488 3.944 0 40 IHAB CC(C)NC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCCN(C(=O)c2cccnc2)C1 19448881 IUYMVUIRXBYMST-SANMLTNESA-N 443.551 3.528 0 40 IHAB CCC(CC)C(=O)N1CC[C@H](c2nc(O)c3c(n2)CN(Cc2ccc(OC)cc2)CC3)C1 19500094 UVSSVJDNJSWFEQ-IBGZPJMESA-N 438.572 3.501 0 40 IHAB CCN1CCN(C(=O)c2nccn2C)C[C@H](Cc2ccccc2-c2ccc(C)cc2)C1=O 19527627 PNUVEWQZNQOHAA-QFIPXVFZSA-N 430.552 3.559 0 40 IHAB CCNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CCCN(C(=O)c2cccnc2)C1 19528666 GQPPHIQOYOPWEH-AREMUKBSSA-N 428.536 3.745 0 40 IHAB CCNC(=O)[C@@]1(Cc2ccccc2-c2cccc(C)c2)CCN(C(=O)c2cncc(N)c2)C1 19528974 AUELANQWTYPEBC-HHHXNRCGSA-N 442.563 3.850 0 40 IHAB COc1cc2c(cc1CN1C[C@@H](c3ccccc3F)[C@@]3(CCCCC(=O)N3)C1)OCCO2 19550615 XYTQBCISUFYFLG-UQBPGWFLSA-N 440.515 3.634 0 40 IHAB COc1ccc(CCC(=O)N2CC[C@H](c3c(C(=O)N(C)C)sc4ncccc34)C2)cc1 19702462 DHBBQQZVROBARD-KRWDZBQOSA-N 437.565 3.955 0 40 IHAB O=C(Nc1ccc(Br)cc1Br)c1ccc(F)cc1-n1cnnn1 20719931 NXPSQBPEOAYHHT-UHFFFAOYSA-N 441.058 3.579 0 40 IHAB CCC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OCC)c(C)c1 22247446 OXRHHIXIKJQCDK-NQIIRXRSSA-N 432.586 3.588 0 40 IHAB COC(=O)c1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2cccs2)cc1 22383114 ZWUBIWVOCZCKAH-UHFFFAOYSA-N 448.497 3.508 0 40 IHAB Cc1cc(C)c([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc2)cc1C 22536782 BQGOHWGQQOFPRW-LJQANCHMSA-N 432.586 3.802 0 40 IHAB COc1ccc(-c2ccc(N3CCC[C@H](C(=O)Nc4ccc5c(c4)OCO5)C3)nn2)cc1 23142692 OJTYCTPXPCPUBL-KRWDZBQOSA-N 432.480 3.736 0 40 IHAB CCCOc1ccccc1N1C(=O)C[C@@H](N2CCN(c3cccc(Cl)c3)CC2)C1=O 25748168 ZBNMDURHKOPPBE-HXUWFJFHSA-N 427.932 3.583 0 40 IHAB CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc(OC)c(C(=O)NC)c3)ccc21 26111934 MCJVQBHJKGPBSS-UHFFFAOYSA-N 437.521 3.983 0 40 IHAB C[C@H](NC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21)c1ccc(Cl)c(Cl)c1 27100772 VXZQVAREPXPILE-LBPRGKRZSA-N 440.352 3.765 0 40 IHAB O=C(Nc1cc(C(F)(F)F)ccc1F)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 28223492 JNQLWRTZRJQDAH-ZDUSSCGKSA-N 430.423 3.884 0 40 IHAB COc1ccc(NC(=O)CSc2nnc(-n3cccc3)n2Cc2ccccc2)cc1OC 28534839 AWURSJAMCJNGHV-UHFFFAOYSA-N 449.536 3.865 0 40 IHAB CCOC(=O)c1ccc(N2CCN(C(=O)CCCc3nc4ccccc4s3)CC2)nc1 30437136 CZXHBXPDDHFLGO-UHFFFAOYSA-N 438.553 3.540 0 40 IHAB Cc1c(C(=O)NCc2ccccc2Cn2ccnc2)cnn1-c1ccc(C(F)(F)F)cn1 32899114 NEOFIBGYVHTNRK-UHFFFAOYSA-N 440.429 3.769 0 40 IHAB O=C(c1ccc2c(=O)n3c(nc2c1)CCC3)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 32981843 BCTFLCNTQJQUOR-INIZCTEOSA-N 446.532 3.778 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3F)CC2)cc1Cl 33711865 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CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O 71844174 NFGYQCLKRPEOMK-TYBLODHISA-N 437.515 3.778 0 40 IHAB C[C@H]1CN(C(=O)C2=Cc3ccccc3OC2)CC[C@@H]1n1nc(-c2cccs2)ccc1=O 72335398 XTKXZIGYEUBSLS-JXFKEZNVSA-N 433.533 3.857 0 40 IHAB CC(C)C(=O)N1CCC(c2nc([C@@H]3CCCN(Cc4ccc(F)cc4)C3)cc(=O)[nH]2)CC1 72399210 OBNBZOKNHGNGCS-HXUWFJFHSA-N 440.563 3.651 0 40 IHAB CCc1ccc([C@@H](NC(=O)C(=O)Nc2cc(C(C)(C)C)nn2-c2ncccn2)C(C)C)cc1 83823578 VURZKYHEUHPZNN-NRFANRHFSA-N 448.571 3.974 0 40 IHAB Cc1ccc(C)c(OCCC(=O)N2CCC[C@@H](CNC(=O)c3ccncc3Cl)C2)c1 95973386 LUTKTVVYULYOIT-SFHVURJKSA-N 429.948 3.789 0 40 IHAB COc1ccc2c(c1)C1(CCN(C(=O)c3cnc4ccccc4n3)CC1)C[C@H]2CC(=O)O 96156866 DIDFTQCWOMGOSH-MRXNPFEDSA-N 431.492 3.774 0 40 IHAB COC(=O)[C@H]1Oc2cc(C)oc(=O)c2[C@@H]1c1ccc(OC)c(OCc2cccc(F)c2)c1 96335788 BJGGZUGHBCPIOT-UNMCSNQZSA-N 440.423 3.741 0 40 IHAB CO[C@H]1CC[C@H](C(=O)N2Cc3ccccc3OC3(CCC(N(C)C(C)=O)CC3)C2)CC1 100751083 URCDISHOXKZZTB-GKANFSFASA-N 428.573 3.773 0 40 IHAB C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)/N=c2/sc3cc(F)ccc3n2C)cc1 100861243 BEJPIPXWCKKNEN-OESDUMLDSA-N 447.557 3.683 0 40 IHAB CCn1cc(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3=C(C)C)[C@H]2C(=O)O)c(C(=O)NC2CCCCC2)n1 102644693 UWBBAKSRUFMVAU-XAMWDVODSA-N 442.560 3.597 0 40 IHAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)ccc1O[C@@H](C)CC 205909824 CZVKLHMGRSOTEQ-SJPXOZHESA-N 432.542 3.921 0 40 IHAB CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NCCc1ccc(OC)c(OC)c1 222908026 HDEMMGLWYXSNFK-KRWDZBQOSA-N 430.520 3.719 0 40 IHAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)s2)cc1 223984729 TXVOBIDBAZLMCY-UHFFFAOYSA-N 426.882 3.692 0 40 IHAB Cc1ccc(CS(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3F)cc2)cc1 224548523 VRPJXTYQZYEFOW-UHFFFAOYSA-N 434.514 3.877 0 40 IHAB CS(=O)(=O)N(Cc1ccc(C(=O)NCCOc2ccccc2)cc1)c1cccc(F)c1 224801053 FWNYBHWZXNEFIN-UHFFFAOYSA-N 442.512 3.601 0 40 IHAB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)c2C(N)=O)C1 225597052 OWBPKVGELVDMPW-BCBCSNLJSA-N 430.570 3.850 0 40 IHAB COc1ccc(NC(=O)[C@]2(C)CCCN(c3c(C)cccc3C)S2(=O)=O)c(OC)c1 225951606 FXYCQPTWNKVSJH-QFIPXVFZSA-N 432.542 3.648 0 40 IHAB CCCCCOc1ccccc1NC(=O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]2OC(C)(C)O[C@@H]12 229966394 HLGFEKDHPNYQTH-DRJBRKBZSA-N 435.517 3.591 0 40 IHAB COc1ccccc1S(=O)(=O)N1CCC(c2cncc(Nc3cccc(C)n3)n2)CC1 257287868 PRURCKLIBBFNSD-UHFFFAOYSA-N 439.541 3.501 0 40 IHAB CC(=O)O[C@H]1C[C@]2(O)[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@@H]1c1ccc(=O)oc1 257570276 VOZHMAYHYHEWBW-NTIBWQHLSA-N 444.568 3.784 0 40 IHAB CN1CCC(n2ncc3c2-c2ccccc2OC32CCN(C(=O)c3ccco3)CC2)CC1 306132157 LAHDHZMBPXHGOL-UHFFFAOYSA-N 432.524 3.934 0 40 IHAB CC(=O)c1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)c1 408672294 VEJKOUOEARHQKD-CQSZACIVSA-N 449.290 3.731 0 40 IHAB CS(=O)(=O)N(CC(=O)Nc1ccc(OCc2ccccc2)cc1)c1ccc(F)c(F)c1 408681568 XYZWDSNFVSUTMB-UHFFFAOYSA-N 446.475 3.949 0 40 IHAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(F)c2)C1 408700549 HSOSGRYJLNXEPB-QGZVFWFLSA-N 434.533 3.997 0 40 IHAB Nn1c(SCC(=O)Nc2ccc(Br)cc2Cl)nnc1-c1ccccc1 409096434 KDHRHXLKRBFNAI-UHFFFAOYSA-N 438.738 3.806 0 40 IHAB COc1ccc(OC)c(-c2cc(C(=O)N3CC[C@@H](n4c(C)nc5ccccc54)C3)n[nH]2)c1 575614976 AQPAVFDJWXFIEQ-MRXNPFEDSA-N 431.496 3.839 0 40 IHAB Cn1ccc2cc(NC(=O)CN3C(=O)c4ccccc4N4C(=O)c5ccccc5[C@H]34)ccc21 604419552 BZXKVOMHEICMOA-XMMPIXPASA-N 436.471 3.932 0 40 IHAB Cc1cc(N2CCC[C@@H](NC(=O)c3onc4c3CCCC4)C2=O)ccc1Br 1615612642 JZKINJGXPUIJRU-QGZVFWFLSA-N 432.318 3.550 0 40 IHAB C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)c1cc(-c2ccc3ccccc3c2)[nH]n1 1626918511 UNYNNECWEVABHZ-HNNXBMFYSA-N 434.521 3.711 0 40 IHAB Cc1cc2n(n1)C1(CCN(C(=O)Nc3ccc(F)cc3F)CC1)CC(=O)N2CC1CC1 1772596444 IFXOGLQFIACGAK-UHFFFAOYSA-N 429.471 3.640 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cccc(Br)c1 1514568 QPJKKCCUUKMXOI-UHFFFAOYSA-N 438.328 3.959 0 40 IHAB COc1ccc(N2C(=O)[C@@H]3[C@@H](C(=O)C(C)(C)C)N4c5ccccc5C=C[C@H]4[C@@H]3C2=O)cc1 2216017 DWVUYDLNFHGLKI-CMOCDZPBSA-N 430.504 3.700 0 40 IHAB COc1cc(Cl)c(C)cc1NC(=O)CN1C(=O)N[C@](C)(CCc2ccccc2)C1=O 2635467 XGAXIHIKNPFCGF-JOCHJYFZSA-N 429.904 3.539 0 40 IHAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc(O)c2)N1Cc1ccc2c(c1)OCO2 2704038 QBVIXDNSKOPNPB-JOCHJYFZSA-N 427.412 3.973 0 40 IHAB COc1ccc(O[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)[C@H]2c2ccc3c(c2)OCO3)cc1 3653554 KZJKNUIKFKVUTB-BJKOFHAPSA-N 447.443 3.684 0 40 IHAB O=C(O)c1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccs2)c1 6023791 JSTUQEZXZUYHTI-UHFFFAOYSA-N 426.479 3.934 0 40 IHAB COc1cc(-c2nnc(S[C@H]3CCOC3=O)n2C2CCCCC2)cc(OC)c1OC 8645569 MKPNODKNZUPOFQ-KRWDZBQOSA-N 433.530 3.884 0 40 IHAB O=C(Cn1c(SCC(=O)N2CCc3ccccc3C2)nc2ccccc21)NC1CCCC1 8666788 IHBFOUZRTQBFID-UHFFFAOYSA-N 448.592 3.772 0 40 IHAB Cc1ccc(C(=O)Cn2c(=O)c3c(ncn3C3CCCC3)n(Cc3ccccc3)c2=O)s1 8745952 OPCBXBKPOUWFTI-UHFFFAOYSA-N 448.548 3.776 0 40 IHAB O=C(Cc1n[nH]c(=O)c2ccccc12)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 8882668 REYUVABIZHDUBC-UHFFFAOYSA-N 449.514 3.694 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(C(=O)c2cccs2)CC3)cc1F 8977282 JCDKSZDLHVHQIL-UHFFFAOYSA-N 446.525 3.895 0 40 IHAB CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(CC)C(=S)N2CCc2ccccc2)cc1 9113150 YLCBHJVFRHHRLT-OAQYLSRUSA-N 439.581 3.864 0 40 IHAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)Cn2c(CO)nc3ccccc32)cc1 9202717 IHLZKAARBNGVKJ-XMMPIXPASA-N 440.503 3.915 0 40 IHAB O=C(CSc1nnc(CN2CCCC2)n1-c1ccc(F)cc1)c1ccc2c(c1)OCO2 9285892 XUGRBXJNXBOSKJ-UHFFFAOYSA-N 440.500 3.706 0 40 IHAB CSc1ncc(C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)n1-c1ccccc1 9412341 BHUZNTIWOGUNGO-UHFFFAOYSA-N 444.582 3.923 0 40 IHAB Cc1nc2cc(NC(=O)CN3C(=O)N[C@@](C)(c4ccc5ccccc5c4)C3=O)ccc2o1 9501169 QLGHJEQEQSNFEL-DEOSSOPVSA-N 428.448 3.695 0 40 IHAB O=C(CSc1nnc(N2CCOCC2)n1Cc1ccccc1)c1ccc2c(c1)CCC2 9580282 FIAQNNPHMBITBL-UHFFFAOYSA-N 434.565 3.627 0 40 IHAB CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(C)c3)C(=O)N2CCOC)cc1 9934040 HMKHVAJGZYWJAP-NRFANRHFSA-N 439.512 3.596 0 40 IHAB COc1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)cc1 9952213 BHLHNOKPRZOWCK-UHFFFAOYSA-N 436.961 3.843 0 40 IHAB CCOc1ccc([C@H]2CCCN2C(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 9953648 HSIKIZFLLOGUNK-JOCHJYFZSA-N 428.554 3.847 0 40 IHAB C[C@@H](NC(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1)c1ccc(C(C)(C)C)cc1 10276675 MPHXINWBUNJJFE-QGZVFWFLSA-N 432.586 3.632 0 40 IHAB CC[C@@H](C)c1ccccc1OCC(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 10587228 QBEZEKRFJBQBKE-MSOLQXFVSA-N 437.540 3.801 0 40 IHAB Cc1ccc(N2N=C(C(=O)OCc3cc(=O)oc4cc(O)ccc34)CCC2=O)cc1Cl 11954502 PCQGIOVXYFLTEN-UHFFFAOYSA-N 440.839 3.687 0 40 IHAB C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2ncc(-c3ccc(Cl)cc3)o2)C1=O 12268382 BSNLIUOSFZJKKE-NRFANRHFSA-N 425.828 3.691 0 40 IHAB O=C(CNC(=O)N1CCc2c([nH]c3ccccc23)C1)NCCc1c[nH]c2ccc(Cl)cc12 12296954 UFWYLBFWNFCDKM-UHFFFAOYSA-N 449.942 3.729 0 40 IHAB biogenic Cc1c(N2C(=O)c3ccccc3[C@]2(O)c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C 12372091 WRSKBELJWDFWOP-RUZDIDTESA-N 445.906 3.992 0 40 IHAB COc1cc([C@@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCO3)ccc1OCC(=O)O 12532698 OYVLMCGEZBGVQP-HSZRJFAPSA-N 448.431 3.658 0 40 IHAB CCc1nc(CSc2nnc(CN3CCCCCC3=O)n2-c2cccnc2)cs1 12596769 GSDNOYAHAGNHLM-UHFFFAOYSA-N 428.587 3.876 0 40 IHAB CC(C)[C@H](NC(=O)CSc1nnc(NC2CC2)s1)c1ccc2c(c1)OCCCO2 12789345 APIJYOPABUXTDS-SFHVURJKSA-N 434.587 3.879 0 40 IHAB CCOc1ccc(NC(=O)CCOc2ccccc2)cc1S(=O)(=O)N1CCCCC1 12803003 BSUSXEUTDLISCM-UHFFFAOYSA-N 432.542 3.668 0 40 IHAB CN(CCOc1ccccc1)C(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 12860682 QNYIMMXQCOOHOG-UHFFFAOYSA-N 445.357 3.839 0 40 IHAB CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)CC(=O)Nc1ccc(Cl)cn1 12982904 GFATZWJVKGDUSZ-UHFFFAOYSA-N 435.233 3.916 0 40 IHAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCc3sccc3[C@H]2c2cccs2)cc1 12996524 FVYRDAMYHDSPFY-IBGZPJMESA-N 432.592 3.848 0 40 IHAB O=C(OCc1c(Cl)cccc1Cl)[C@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 13028294 LQRHXVLASXBIBM-MRXNPFEDSA-N 439.320 3.650 0 40 IHAB CSCc1cccc(C(=O)O[C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 13149736 ZAEAWBRIDJUBEF-INIZCTEOSA-N 439.537 3.531 0 40 IHAB Cc1nnc(NC(=O)CSc2nnc(-c3ccoc3C)n2-c2ccc(F)cc2)s1 13512384 SOSJIJKVVALEBN-UHFFFAOYSA-N 430.490 3.866 0 40 IHAB O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 13682939 VPYNFECTYSFPSG-OHNRDTAOSA-N 445.412 3.840 0 40 IHAB O=C(COc1ccccc1)NCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12 13858116 GPWVWNIADVMXCT-UHFFFAOYSA-N 425.488 3.827 0 40 IHAB O=C(CCc1ccc(-c2ccccc2F)o1)N1CCN(S(=O)(=O)c2cccs2)CC1 14182201 ZIYYBWJMODAVEU-UHFFFAOYSA-N 448.541 3.613 0 40 IHAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c(Br)c1 15315732 QNUHCJBJLSJNHP-CYBMUJFWSA-N 431.286 3.520 0 40 IHAB O=C(C[C@@H]1CCCCN1S(=O)(=O)c1cccs1)NCCc1ccc(Cl)cc1 15391311 TXDZRFYJLBXREJ-KRWDZBQOSA-N 426.991 3.694 0 40 IHAB NC(=O)c1c(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)sc2c1CCCCC2 16047959 QTASVJYBWRIWHV-UHFFFAOYSA-N 440.974 3.572 0 40 IHAB C[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12)c1ccc(F)c(F)c1 18016335 CGLRSJCHVSIADP-ZDUSSCGKSA-N 433.480 3.937 0 40 IHAB CC(C)(C)c1ccc(OCC(=O)N2CC[C@H](c3cc(O)nc(-c4ccccn4)n3)C2)cc1 19084485 KAVBYJNIYDSURS-KRWDZBQOSA-N 432.524 3.937 0 40 IHAB COc1ccc(Br)cc1C1N2CC3(C)CN1CC(c1ccccc1)(C2)C3=O 19330448 YGTBPZMZKSOGHC-UHFFFAOYSA-N 427.342 3.615 0 40 IHAB COc1ccc(CN(C)CC(=O)N2CCO[C@H](c3ccc(-c4ccccc4F)cn3)C2)cc1 19693669 ABYKKWGIQAKJOC-VWLOTQADSA-N 449.526 3.928 0 40 IHAB CCOc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3)C2)c1 19866682 PNNUYSHDHZWXCI-KRWDZBQOSA-N 436.961 3.919 0 40 IHAB CC[C@@H](C(=O)NCc1ccc(OC(C)C)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 20110320 WEDVGCHIHWNZCE-QFIPXVFZSA-N 432.586 3.952 0 40 IHAB COC(=O)c1ccc(OCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1 21235811 YPGCGZFOLMRBRI-KRWDZBQOSA-N 432.476 3.982 0 40 IHAB O=C(CCc1ncc(-c2ccccc2F)o1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 21409446 CERFDJNLDMBRNW-UHFFFAOYSA-N 435.499 3.693 0 40 IHAB O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1ccc2c(c1)OCCO2 21548891 XPPZCFDHGMOSFI-UHFFFAOYSA-N 443.547 3.804 0 40 IHAB Cc1ccc(N(CC(=O)NCCCc2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1C 22329492 GDTRUOSQEBZHRB-UHFFFAOYSA-N 432.586 3.606 0 40 IHAB O=C(NCc1ccccc1CN1CCOCC1)c1cccc(NC(=O)c2cccs2)c1 23907975 NSNCWLRGRQBWTN-UHFFFAOYSA-N 435.549 3.763 0 40 IHAB COc1ccc([C@@H](CNC(=O)c2sc(-c3ccsc3)nc2C)N2CCOCC2)cc1 23995203 XKPDFUTWFGUIMG-LJQANCHMSA-N 443.594 3.992 0 40 IHAB CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(-c4cccs4)on3)CC2)cc1 24774489 DVUPEJHSLVLJOM-UHFFFAOYSA-N 445.566 3.673 0 40 IHAB CCCCn1c(N)c(N(Cc2ccccc2)Cc2cccc3cccnc23)c(=O)[nH]c1=O 27315954 LZBLGQPBJXTYLL-UHFFFAOYSA-N 429.524 3.674 0 40 IHAB COc1ccc(OCc2nnc(SCc3noc(C)n3)n2-c2ccccc2F)cc1 27445333 JJHCKBFQISSOTN-UHFFFAOYSA-N 427.461 3.978 0 40 IHAB Cc1ccc(C(=O)N(Cc2cccnc2)C2CC2)cc1S(=O)(=O)NCc1ccccc1 28516110 FITDEKUZBZZZSO-UHFFFAOYSA-N 435.549 3.673 0 40 IHAB COc1ccc(CSc2nnc(Nc3ccc(C(C)C)cc3)c(=O)n2N)cc1OC 28535974 YLMJVTHIHMXLQC-UHFFFAOYSA-N 427.530 3.529 0 40 IHAB COc1ccc([C@]2(O)NC(=O)N[C@@H](c3ccc(C(C)C)cc3)[C@@H]2C(=O)C(F)(F)F)cc1 28629392 FWKIKXUDPVZZGV-LVCYWYKZSA-N 436.430 3.765 0 40 IHAB O=C(Nc1ccc(-n2cncn2)nc1)c1cc(Br)c(Br)s1 29109108 DEQQDBZOCUCXRO-UHFFFAOYSA-N 429.097 3.501 0 40 IHAB COc1ccc(-n2ccn(CN3Cc4c(OC)ccc(OC)c4[C@H](O)C3)c2=S)cc1 29543494 PNYIYAALVQUEHY-GOSISDBHSA-N 427.526 3.541 0 40 IHAB O=C(CCCC(=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1)c1cccs1 31031974 LCXFBZPHTABZSC-UHFFFAOYSA-N 427.522 3.994 0 40 IHAB CSc1ccccc1NC(=O)CN(C)CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 31038971 XIROWVJBMCEXNF-UHFFFAOYSA-N 441.553 3.959 0 40 IHAB CCOC(=O)c1cnn(-c2ccc(C(=O)NCCc3ccc(OC(F)F)cc3)cc2)c1C 32818988 PLVFNLAWKOQEFE-UHFFFAOYSA-N 443.450 3.931 0 40 IHAB Cc1ccc(C)c(NC(=O)Cn2nc3c4cc(-c5ccc(Cl)cc5)nn4ccn3c2=O)c1 38487392 DIVKTJJVSUPFQM-UHFFFAOYSA-N 446.898 3.720 0 40 IHAB Cc1cc(C)n2nc(C(=O)Nc3ncc(Cc4ccc(OC(F)(F)F)cc4)s3)nc2n1 40050557 UQSMPRLFUXVZRK-UHFFFAOYSA-N 448.430 3.939 0 40 IHAB O=C(Nc1cccc(I)c1)[C@H]1CCCN1C(=O)NC1CCCCC1 40149011 GDDMNDWHACXHMG-MRXNPFEDSA-N 441.313 3.736 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccnc2)c2cccc(Cl)c2)cc1 44792856 LLSIJJVTWSRZCV-UHFFFAOYSA-N 429.929 3.555 0 40 IHAB CS(=O)(=O)N(CC(=O)Nc1ccc(Cc2ccncc2)cc1)c1cccc(Cl)c1 45396620 KLPCXGPUMKRXLE-UHFFFAOYSA-N 429.929 3.731 0 40 IHAB CC(C)C(=O)N1CCC(NC(=O)Nc2ccc(F)c(NC(=O)Cc3ccccc3)c2)CC1 48326491 IJOKDHYEYXWRGQ-UHFFFAOYSA-N 440.519 3.775 0 40 IHAB CCNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCCN(C(=O)COc2ccccc2)C1 57775200 IVSABQUQYCZLPK-SANMLTNESA-N 447.535 3.708 0 40 IHAB C[C@H]1c2ccsc2CCN1C(=O)CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1 57987314 GDGWTBOIEYCNJE-INIZCTEOSA-N 433.599 3.626 0 40 IHAB COc1ccccc1-n1cnn(CN(CCCc2ccccc2)CCN(C)C)c1=S 58005057 DOQYHSHJLRDOED-UHFFFAOYSA-N 425.602 3.866 0 40 IHAB CCOC(=O)C1(Cc2cc(-c3ccc(OC)cc3)no2)CCN(C(=O)c2ccccn2)CC1 72394009 DTSLXKKDRPMFAG-UHFFFAOYSA-N 449.507 3.773 0 40 IHAB COc1ccc2c(c1)C1(CCN(C(=O)c3cnc4ccccc4n3)CC1)C[C@@H]2CC(=O)O 96156865 DIDFTQCWOMGOSH-INIZCTEOSA-N 431.492 3.774 0 40 IHAB COc1cc2c(cc1OC)CN([C@H]1CC(=O)N(c3ccc(Cl)cc3Cl)C1=O)CC2 96305303 HMLYDOAYPVFHRL-KRWDZBQOSA-N 435.307 3.701 0 40 IHAB COc1ccc(CNC(=O)Cn2cccc2-c2nc(-c3ccc(F)cc3)no2)cc1OC 98211373 PFAFOSMZUDLZMN-UHFFFAOYSA-N 436.443 3.678 0 40 IHAB O=C(Nc1ccccc1Cl)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 102086626 XSYDMVWXURZHAF-MOXZQRMASA-N 446.934 3.943 0 40 IHAB COC[C@@]1(CN)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218240111 DTPFLKOMZAQSHM-SQNIBIBYSA-N 444.778 3.634 0 40 IHAB O=C(NCCSCc1ccccc1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 219748864 BSKVKWLRMRSODD-LJQANCHMSA-N 439.002 3.543 0 40 IHAB CCSc1nnc(NC(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)s1 222566061 SZYJQAOTPVMUST-UHFFFAOYSA-N 434.568 3.728 0 40 IHAB CCOc1ccc(CNC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)cc1OCC 222570691 KMEOCFFSQQHFFY-UHFFFAOYSA-N 446.569 3.652 0 40 IHAB COc1ccc(N(C)C(=O)COc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1 222685264 ODDXRNAJUHTONG-UHFFFAOYSA-N 440.521 3.846 0 40 IHAB COc1ccc(N([C@@H](C)C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)S(C)(=O)=O)cc1OC 223479677 QEUCEDCMAGSMSN-ROUUACIJSA-N 448.585 3.661 0 40 IHAB CCc1ccc(OCCNC(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1 223875871 HWVCHVDAXXASKP-UHFFFAOYSA-N 445.368 3.517 0 40 IHAB CC(C)(Cc1ccccc1)NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 224579355 MHRSLHCXSFBJNW-UHFFFAOYSA-N 429.369 3.897 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCCc1ccc(Cl)cc1)c1cccc(Cl)c1 224629835 ZJHWZWRFEUNSIF-UHFFFAOYSA-N 429.369 3.899 0 40 IHAB Cc1cccc([C@H](NC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)c2ccccc2)c1 225081221 ODZHQDIGNREMSE-XMMPIXPASA-N 438.549 3.675 0 40 IHAB C[C@@H](CNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1)Cc1cccc2ccccc12 225091174 DOMLSQRUOUZDAB-QGZVFWFLSA-N 436.533 3.650 0 40 IHAB CC(C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN1C(=O)c2cccc3cccc1c23 225689636 AKHGFRSVHBQYKS-IBGZPJMESA-N 443.547 3.784 0 40 IHAB O=C(NC1CCCC1)[C@@H]1N(CCc2ccccc2)C(=O)[C@@H]2[C@H](c3ccccc3)[C@H]3C=C[C@]21O3 245227811 VXXBXHDZSRRRIA-RIWVVKKCSA-N 442.559 3.606 0 40 IHAB Cc1cc(C)n(C)c(=O)c1C(=O)NC[C@H]1CC[C@H](c2ncncc2-c2ccccn2)CC1 257221630 DPXMODYUCXXKMN-WGSAOQKQSA-N 431.540 3.558 0 40 IHAB CC(=O)Nc1ccc(C(=O)N2CCNC(=O)[C@@H]2Cc2ccccc2-c2ccc(F)cc2)cc1 257223231 DWLNFDMAMDLISE-DEOSSOPVSA-N 445.494 3.634 0 40 IHAB CC(=O)N[C@H]1CC[C@](CNC(=O)c2ccc(OC(C)C)cc2)(c2ccccc2)CC[C@@H]1O 257230239 GBKDOFUVMXCWCV-GNKBHMEESA-N 438.568 3.581 0 40 IHAB Cc1ccc(C2(C(=O)N3CC[C@]4(CN(Cc5ccccc5)C(=O)O4)C3)CCOCC2)cc1 257306709 SVMCCIYCJCUQTP-RUZDIDTESA-N 434.536 3.667 0 40 IHAB CN(CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C)[C@@H]2Cc1ccccc1)Cc1cccnc1 257335073 YIOUZUYDUDZWIU-FTGRUMRQSA-N 446.639 3.989 0 40 IHAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@H](C)CC(C)(C)c1ccccc1 260772818 WTTVNWNGZPLAMH-MSOLQXFVSA-N 432.586 3.722 0 40 IHAB Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)Nc1ccccc1F 408527327 DFVOFMUAZRDSMV-UHFFFAOYSA-N 428.485 3.630 0 40 IHAB COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(O[C@H](C)C(=O)NCC(C)C)cc1 408601735 GVYCFNZKYDDUHP-CQSZACIVSA-N 440.949 3.689 0 40 IHAB COc1ccc(CNC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1 408841758 KWEIMLHACLMRGD-UHFFFAOYSA-N 429.564 3.943 0 40 IHAB COc1cc([C@H](c2c[nH]c3ccccc23)C2C(=O)OC(C)(C)OC2=O)cc(OC)c1OC 409118519 QWDACNXZAWJHJU-LJQANCHMSA-N 439.464 3.778 0 40 IHAB CCOc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@H]3C)C2=O)c(OCC)c1 409200512 HUNYKLKUUFMAGM-VUFYJBQKSA-N 432.542 3.921 0 40 IHAB O=C(c1cncc(Br)c1)N1CCC(n2nc(-c3ccccc3)ccc2=O)CC1 1775970536 FGQRZUZDCYRFTJ-UHFFFAOYSA-N 439.313 3.545 0 40 IHAB COc1ccc(OC)c(N(CC(=O)Nc2ccccc2-c2ccccc2)S(C)(=O)=O)c1 638210 OOVVOXUPSGIPEV-UHFFFAOYSA-N 440.521 3.776 0 40 IHAB Cn1ncc(Br)c1C(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C(C)(C)C)C2 656559 DTDRYQBSMZWJFN-VIFPVBQESA-N 439.379 3.746 0 40 IHAB COC(OC)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 841992 GMCHMIAPWREGBP-XDJZYPBNSA-N 425.484 3.856 0 40 IHAB CC(C)[C@@H](C(=O)OCC(=O)Nc1ccccc1C(F)(F)F)N1C(=O)c2ccccc2C1=O 1917051 NWXGGAGVAJEKAN-SFHVURJKSA-N 448.397 3.508 0 40 IHAB COc1ccc(NC(=O)CSc2nnc(-c3cccc(Br)c3)n2C)cc1 2523957 WXUVQNAAWHABEG-UHFFFAOYSA-N 433.331 3.984 0 40 IHAB CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)OCc1ccccc1Cl 2649514 BXKXVOQGFBLEQT-MRXNPFEDSA-N 431.938 3.623 0 40 IHAB COc1ccc(-c2csc(NC(=O)COC(=O)c3c(OC)cccc3OC)n2)cc1 3299926 MJMRMYROUVUSAY-UHFFFAOYSA-N 428.466 3.631 0 40 IHAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)[C@@H](NS(=O)(=O)c1ccccc1)C(C)C 3399539 LYQWVSFHXRIEIT-IERDGZPVSA-N 442.537 3.594 0 40 IHAB CCc1ccc(O[C@](NC(=O)Nc2ccc(OC)cc2)(C(=O)OC)C(F)(F)F)cc1 4208089 COCSIRQVPLALSV-LJQANCHMSA-N 426.391 3.890 0 40 IHAB CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)CC)N3CCC[C@H](C)C3)cc2c1 6149496 URTITZWENUOLET-KKSFZXQISA-N 438.576 3.880 0 40 IHAB CC(=O)Nc1ccc(C(=O)CSc2nc3ccccc3n2CC(=O)N2CCCC2)cc1 6530333 OHDXJZTYVQKQBZ-UHFFFAOYSA-N 436.537 3.592 0 40 IHAB CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3F)cc2Cl)CC1 8831632 RJHSKWRXFBVAJC-UHFFFAOYSA-N 448.951 3.665 0 40 IHAB CC(=O)Nc1cccc(NC(=O)CSc2nc(CC(=O)NC3CCCCC3)cs2)c1 8849978 SGIRKPFWXWKIDR-UHFFFAOYSA-N 446.598 3.824 0 40 IHAB CCOC(=O)/C=C1\SCC(=O)N1CC(=O)Nc1cc2oc3ccccc3c2cc1OC 9120035 IRUBGSYYENWHSB-FBHDLOMBSA-N 440.477 3.513 0 40 IHAB CCCN1C(=O)C(C)(C)COc2ccc(NS(=O)(=O)c3ccc(OC)cc3C)cc21 9172160 SIRKSEUAWPXWCK-UHFFFAOYSA-N 432.542 3.966 0 40 IHAB COc1cc(OC)cc(C(=O)Nc2nnc([C@H]3CC(=O)N(c4ccccc4C)C3)s2)c1 9199747 SIMSTMFAZMKWLK-HNNXBMFYSA-N 438.509 3.637 0 40 IHAB COC(=O)c1ccc(CSc2nnc(NC(=O)c3ccc4[nH]cnc4c3)s2)cc1 9511888 VUIYDRIMJVFSIN-UHFFFAOYSA-N 425.495 3.746 0 40 IHAB O=C(OCc1ccccc1)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 9540419 QGDBMEGPDXPVOQ-UHFFFAOYSA-N 425.462 3.616 0 40 IHAB C[C@H](NC(=O)CNC(=O)c1sc2ccccc2c1Cl)c1ccc2c(c1)OCCO2 9594314 JCIMGMXAYHNDLI-LBPRGKRZSA-N 430.913 3.933 0 40 IHAB COc1cc(OC)cc(-n2nnc(-c3nsc(NC(=O)c4cccc(F)c4)n3)c2C)c1 9638782 OPKVLXQPDAWROV-UHFFFAOYSA-N 440.460 3.503 0 40 IHAB CSc1ccc2nc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3cccs3)sc2c1 10187260 QJZGZOULRAJVHT-CYBMUJFWSA-N 439.609 3.872 0 40 IHAB Cc1ccc(C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1S(=O)(=O)N1CCOCC1 10275905 OIKDTWCUMVZWLW-SFHVURJKSA-N 444.597 3.804 0 40 IHAB C[C@@H](NC(=O)CCc1ncc(-c2c(F)cccc2F)o1)c1ccc(S(C)(=O)=O)cc1 10309978 ALTRABVNGMLOPI-CYBMUJFWSA-N 434.464 3.833 0 40 IHAB O=C(CS(=O)(=O)Cc1ccccc1)N(Cc1cccnc1)c1nc2ccccc2s1 10620038 UHADEQMPLHKTNO-UHFFFAOYSA-N 437.546 3.840 0 40 IHAB COc1cccc(OC)c1C(=O)OCC(=O)Nc1ccccc1C(=O)Nc1ccccc1 11135985 MFBBCHOHPOUTHP-UHFFFAOYSA-N 434.448 3.752 0 40 IHAB CCOc1ccc(-n2c(SCC(=O)NC[C@H]3CCCO3)nnc2-c2ccccc2)cc1 11197343 GNOUYFHUBFOOIY-HXUWFJFHSA-N 438.553 3.720 0 40 IHAB COc1cc(OC)cc(C(=O)Nc2cc(-c3cn4nc(OC)ccc4n3)ccc2OC)c1 11693444 HHDYFYQKRZQNJQ-UHFFFAOYSA-N 434.452 3.683 0 40 IHAB COc1cccc(-c2cc(C(=O)N3CCC[C@@H]([C@H](NC(C)=O)c4nccs4)C3)no2)c1 12158135 LRWONUWWPQGDCM-UZLBHIALSA-N 440.525 3.536 0 40 IHAB O=C(C[C@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21)Nc1ccc(F)c(F)c1 12233161 JBDNWASWSTYBGZ-AWEZNQCLSA-N 439.447 3.536 0 40 IHAB COc1ccc(F)cc1S(=O)(=O)N1CCN(c2nc(-c3ccc(C)cc3)cs2)CC1 12462027 QJWITBMLURSPQU-UHFFFAOYSA-N 447.557 3.777 0 40 IHAB CCOC(=O)c1c(COC(=O)C2=NN(c3ccccc3)C(=O)CC2)nc2ccccc2c1C 12541676 XLVUNJYOUHCEPV-UHFFFAOYSA-N 445.475 3.946 0 40 IHAB CS(=O)(=O)NCCc1ccc(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)cc1 12550793 POVQAUMGCLTNCZ-UHFFFAOYSA-N 435.977 3.674 0 40 IHAB O=C(CSc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCC3)NC1CCCC1 12583938 SYCQYXMYIUQDMR-UHFFFAOYSA-N 429.567 3.739 0 40 IHAB Cc1ccc([C@@H](C(=O)NC(C)(C)C)N(CCc2ccccc2)C(=O)c2csnn2)o1 12638576 ZIWRXZHYHGVPFT-IBGZPJMESA-N 426.542 3.780 0 40 IHAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3ccc(F)cc3F)c12 12751653 NNHPQXNBUDMEBI-CQSZACIVSA-N 446.479 3.507 0 40 IHAB CCc1ccccc1NC(=O)CN(C)C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 12769821 YASHJVFIRBNXGF-UHFFFAOYSA-N 448.489 3.976 0 40 IHAB COC(=O)[C@H](CCSC)NC(=O)Nc1cccc(-c2cc3ccccc3oc2=O)c1 12883558 PBOITYMDSFAHQS-SFHVURJKSA-N 426.494 3.876 0 40 IHAB biogenic Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccccc3SC(F)F)CC2)c1 12942078 QYLSKORZTFPBAY-UHFFFAOYSA-N 440.537 3.765 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cc1ccc2c(c1)CCCC2 13040900 HRNNRTYPNFEEQX-UHFFFAOYSA-N 442.581 3.930 0 40 IHAB O=S(=O)(Cc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 14291505 WUFJBQSRPMGKJQ-UHFFFAOYSA-N 442.990 3.847 0 40 IHAB COc1ccc(OC)c(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(OC(F)F)cc2)c1 15913816 NEJOGNXKNBGRAL-GOSISDBHSA-N 449.479 3.737 0 40 IHAB Fc1cc2c(c(CSc3nnnn3C[C@H]3CCCO3)c1)O[C@@H](c1ccccc1)OC2 16411181 PBYGPPFSJVVACV-QUCCMNQESA-N 428.489 3.891 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)NC[C@H](c1ccccc1)N(C)C 16599222 QYVJZEBCFRMZEI-AUSIDOKSSA-N 443.613 3.591 0 40 IHAB COc1cccc(-n2c(=S)sc3c(=O)[nH]c(SCC(=O)NC4CCCC4)nc32)c1 16840424 WIFKJNOBNOKCJH-UHFFFAOYSA-N 448.595 3.664 0 40 IHAB CCc1nnc(N/C=C2/C(=O)N(c3ccc(OC)c(OC)c3)C(=O)c3ccccc32)s1 18055623 QEYNAQGMRBRMDA-FOWTUZBSSA-N 436.493 3.758 0 40 IHAB COC(=O)c1sc(NC(=O)CN(C)[C@@H]2CCCc3ccccc32)c(C(=O)OC)c1C 18935296 AZPITVXHYXWWTQ-MRXNPFEDSA-N 430.526 3.578 0 40 IHAB O=C(C1CC1)N1CCc2c(O)nc([C@H]3CCCCN3C(=O)CC3CCCCC3)nc2C1 19014739 ZOHNSANSJQUNPI-HXUWFJFHSA-N 426.561 3.501 0 40 IHAB COc1ccc(-c2cc3nc([C@H](C)NC(=O)[C@@H](C)Oc4ccc(F)cc4)nn3cn2)cc1 19574343 YMXWZKNRVBXXCC-LSDHHAIUSA-N 435.459 3.584 0 40 IHAB CNc1cc([C@H]2CCCN(C(=O)c3cc(OC)ccc3OC)C2)nc(-c2cccnc2)n1 19592180 VCNKMRSOWNTTFG-KRWDZBQOSA-N 433.512 3.617 0 40 IHAB CCN(CC)C(=O)CN1CCCC[C@@H]1c1nc(N(C)C)ncc1-c1ccc(OC)cc1 19694387 CNYOAUUNSDCAHR-OAQYLSRUSA-N 425.577 3.614 0 40 IHAB Cc1nnsc1C(=O)N1CCC[C@@H](c2ccc(C(=O)Nc3ccc(F)cc3)cn2)C1 19705629 MNBBIFPRXLVWGJ-OAHLLOKOSA-N 425.489 3.653 0 40 IHAB Cc1nc([C@H]2CCCN(C(=O)C(c3ccccc3)c3ccccc3)C2)nc2c1CC(=O)N2C 19744087 ASNIPQBPHCNONF-NRFANRHFSA-N 440.547 3.842 0 40 IHAB COc1ccc(NC(=O)c2cn(C)nc2CC2CCN(C(=O)c3ccccc3)CC2)cc1 19756479 WZBAUOLLAPRTIA-UHFFFAOYSA-N 432.524 3.776 0 40 IHAB Cc1nc([C@@H]2CCCCN2C(=O)Cc2c(C)noc2C)ncc1C(=O)NCc1ccccc1 19765835 APSZJLKWLRPYJR-QFIPXVFZSA-N 447.539 3.616 0 40 IHAB CCOC(=O)c1cccc(NC(=O)c2nnn(-c3ccc(OC(F)F)cc3)c2CC)c1 19911140 QARZOJBTLURZBG-UHFFFAOYSA-N 430.411 3.860 0 40 IHAB COc1ccc([C@@H]2CSCCN2C(=O)Cc2c(C)c3ccc(OC)cc3oc2=O)cc1 20745056 LHSMXYQONQTGDL-NRFANRHFSA-N 439.533 3.978 0 40 IHAB COc1ccc([C@H]2CCCN2CC(=O)NCC(=O)Nc2cccc(Cl)c2C)c(OC)c1 21583492 HZVCNZULOCBITH-HXUWFJFHSA-N 445.947 3.557 0 40 IHAB Cc1ccc(-c2nc(CN3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)cs2)cc1 22069734 SUPXPMQTGNAQCM-UHFFFAOYSA-N 431.558 3.764 0 40 IHAB CC[C@@H](NC(=O)CN(c1c(C)cc(C)cc1C)S(C)(=O)=O)c1ccc(OC)c(OC)c1 22427623 VUFLKUJESRDPQR-LJQANCHMSA-N 448.585 3.663 0 40 IHAB Oc1c([C@H](c2ccc(F)cc2)N2CCN(c3ccccc3F)CC2)sc2ncnn12 22609732 QUYLHFQXSQEENZ-SFHVURJKSA-N 427.480 3.686 0 40 IHAB COc1ccc(Cl)cc1NC(=O)C[C@H]1CCCCN1S(=O)(=O)c1cccs1 22732484 MLGDGCUKWURJEZ-CQSZACIVSA-N 428.963 3.982 0 40 IHAB COc1ccc2c(C)c(CCC(=O)N[C@@H](c3cccc(F)c3)c3nccn3C)c(=O)oc2c1 24016440 FEGGWDBYMILQNL-QHCPKHFHSA-N 449.482 3.821 0 40 IHAB CC1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)CC1 26109391 NBMCARFGJFGAMO-OAHLLOKOSA-N 433.401 3.794 0 40 IHAB Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)cc1 30858730 CRMLAOBMPOYSQJ-OFNKIYASSA-N 428.598 3.847 0 40 IHAB COc1ccc(S(=O)(=O)NC[C@@H]2C=C(C)[C@H](CC(=O)N3CCCC3)C[C@H]2C(C)C)cc1 30881494 CQBMHCJHDCODIX-JTAQYXEDSA-N 448.629 3.841 0 40 IHAB biogenic,in-vitro COc1ccccc1OCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@]1(O)C(F)(F)F 32101208 CYSMDVFHGAWZOT-SFHVURJKSA-N 428.794 3.615 0 40 IHAB CCc1c(C)sc2c1c1nc(Cc3ccccc3)nn1c(=O)n2CC(=O)N1CCCCC1 32102377 RWASIGIDFPCJEL-UHFFFAOYSA-N 449.580 3.580 0 40 IHAB O=C(N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1)[C@H]1CC(=O)N(C2CC2)C1 32902944 ZQFXEGDGRAVHFH-YWZLYKJASA-N 442.441 3.798 0 40 IHAB CCOC(=O)N1CCC(NC(=O)/C=C/c2cccc(OCc3csc(C)n3)c2)CC1 32906345 RNMPWVXUXFUJIX-BQYQJAHWSA-N 429.542 3.781 0 40 IHAB CCOc1cc(C)ccc1OCc1nnc(SCC(=O)N[C@H]2CCCC[C@@H]2C)n1C 33759129 LZTBYSGXFJWCHL-IRXDYDNUSA-N 432.590 3.888 0 40 IHAB C[C@H]1Cc2ccccc2N1C(=O)CSc1nc2ccccc2n1CC(=O)N1CCCC1 35312082 WOUZAQZMJBXBJH-KRWDZBQOSA-N 434.565 3.729 0 40 IHAB COc1ccc(NC(=O)CSC2=NC3(CCN(C)CC3)N=C2c2ccc(C)cc2)cc1 35372880 ZMMGEDYQQRLNLI-UHFFFAOYSA-N 436.581 3.999 0 40 IHAB O=C(COc1ccc(Cl)cc1Cl)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1 38725766 OZOJOQYQQPPVJS-QZTJIDSGSA-N 433.335 3.847 0 40 IHAB Cc1nn2c(=O)cc(CSc3nnc(-c4ccc(Br)cc4)o3)nc2s1 41077669 LVYYIYAVQGDUHV-UHFFFAOYSA-N 436.316 3.564 0 40 IHAB CC(C)(C)c1ccc(C2(CNC(=O)NCCc3ccc(S(N)(=O)=O)s3)CCC2)cc1 58278223 LMERGYMIOUELMK-UHFFFAOYSA-N 449.642 3.657 0 40 IHAB C[C@H]1CN(C(C)(C)CNC(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)C[C@@H](C)O1 69979766 JSNJXZZIQASQMR-CALCHBBNSA-N 439.585 3.613 0 40 IHAB Cc1cc(C(=O)Nc2ccc([C@H]3OCC(=O)N(Cc4ccccc4)[C@@H]3CO)cc2)c(C)o1 72321112 POQOGKCVVFPLQG-ISKFKSNPSA-N 434.492 3.610 0 40 IHAB biogenic,in-vitro CCN1CCN(C(=O)c2ccccn2)[C@@H](Cc2ccc(-c3cccc(OC)c3)cc2)C1=O 72351460 LYZRLPOLBMNVEK-DEOSSOPVSA-N 429.520 3.673 0 40 IHAB O=C(Nc1cccc(Cl)c1)N1CC[C@@H]2CN(Cc3ccccc3)S(=O)(=O)[C@@H]2CC1 96145365 SOGBFRQRZZTGAI-YLJYHZDGSA-N 433.961 3.798 0 40 IHAB CN1CCN(C(=O)C[C@H]2CC3(CCN(C(=O)CC(C)(C)C)CC3)c3ccccc32)CC1 96242275 ZPVRPVQRAYOTOC-FQEVSTJZSA-N 425.617 3.634 0 40 IHAB COc1ccc(CCNC(=O)[C@H]2C[C@H]3CC[C@@]2(C)C[C@]32NC(=O)c3ccccc3N2)cc1 100117175 JFVRXAQSODJUJU-VBXGJKEFSA-N 433.552 3.732 0 40 IHAB O=C1[C@@H]2[C@@H](c3ccc(Br)cc3)N3CCCN3[C@H]2C(=O)N1c1cccc(Cl)c1 101087834 LTXBXKMAYZVNNP-KZNAEPCWSA-N 446.732 3.638 0 40 IHAB Cc1ccc(Cn2ccs/c2=N\C(=O)C2CCN(C(=O)c3cccs3)CC2)cc1 102651448 JQZRHSJTYVSCBF-FCQUAONHSA-N 425.579 3.948 0 40 IHAB CC[C@@H](C)Oc1ccc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1Cl 107703929 TZFARYHRMLIKGC-YUSFRKCESA-N 432.860 3.990 0 40 IHAB O=C(Cn1c(=O)n(Cc2cccc(Cl)c2)c(=O)c2ccccc21)Nc1ccc(F)cc1 139345180 UJVXLJKKGDXICL-UHFFFAOYSA-N 437.858 3.643 0 40 IHAB COc1ccc2[nH]cc(/C=C(\NC(=O)c3ccccc3)C(=O)N3C[C@H](C)O[C@H](C)C3)c2c1 215700991 YQCCVIAIUKGICA-VLLHKADLSA-N 433.508 3.583 0 40 IHAB CC(=O)c1ccc(N2CCN([C@H]3CC(=O)N(c4cccc(Cl)c4Cl)C3=O)CC2)cc1 215726793 WLCNXSBDUFCHSW-IBGZPJMESA-N 446.334 3.650 0 40 IHAB CC[C@@H](C(=O)NCCSCc1ccccc1)N(c1cc(C)ccc1C)S(C)(=O)=O 220534601 ITQXGIKOBWULTA-FQEVSTJZSA-N 434.627 3.898 0 40 IHAB CCOC(=O)c1ccc(NC(=O)c2ccc(N(CC)S(=O)(=O)CC)cc2)cc1Cl 222402415 QRNQZUOMKWRVTE-UHFFFAOYSA-N 438.933 3.945 0 40 IHAB CC(C)Oc1ccc(CCCNC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)cc1 222520931 KJOJHYFHFQMWJD-UHFFFAOYSA-N 438.977 3.886 0 40 IHAB CCOc1ccc(N(CCCC(=O)N[C@@H](C)CCc2ccccc2)S(C)(=O)=O)cc1 222621577 SJDSJJXRLLUQOB-IBGZPJMESA-N 432.586 3.769 0 40 IHAB C[C@H](C(=O)NCc1ccncc1)N(Cc1ccccc1)C(=O)COc1ccccc1Cl 222726703 WPWRRPGYJAXCQI-GOSISDBHSA-N 437.927 3.848 0 40 IHAB CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(Br)cc1Cl 225204812 BRYMATWARZNTOY-ZDUSSCGKSA-N 439.737 3.645 0 40 IHAB Cc1nc2cc(C(=O)N3C[C@H](C(=O)NCc4ccccc4)Oc4ccccc43)ccc2n1C 225892973 MVYPLFNRIQWEAZ-XMMPIXPASA-N 440.503 3.606 0 40 IHAB CCOc1ccc(CN2CCO[C@H](c3cccc(Nc4ccc(F)cn4)n3)C2)cc1CO 257206986 BFSMLYHGCFEKAX-QFIPXVFZSA-N 438.503 3.824 0 40 IHAB O=C(c1ccccc1CN1CCOCC1)N1CCOC[C@@H](Cc2cccc3occc23)C1 257314356 UWPMGCKXRMGPNM-FQEVSTJZSA-N 434.536 3.596 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](C)c3ccc(F)cc3)C2)cc1 260575662 ILTPSHFQQZMQTK-AEFFLSMTSA-N 434.533 3.503 0 40 IHAB CCC[C@@H](C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 408582203 BVLMWWYVLBJWIL-MRXNPFEDSA-N 438.977 3.844 0 40 IHAB C[C@@H](Oc1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1)C(=O)NC1CCCCC1 408611803 RNABTCLYGSNSFS-CQSZACIVSA-N 438.496 3.982 0 40 IHAB COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1 408664506 CDCZYICRMFNILW-LBPRGKRZSA-N 437.279 3.537 0 40 IHAB COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C(C)C)ccc3OC)CC2)cc1 408700332 DHBUJYUPAYWNPA-UHFFFAOYSA-N 446.569 3.867 0 40 IHAB CCc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)N[C@H](C)c2ccccc2)cc1 408709497 BUJDKOCSRYRDPL-GOSISDBHSA-N 429.520 3.995 0 40 IHAB COC(=O)c1ccc(NC(=O)CSc2nnc(CCCc3ccc(OC)cc3)o2)cc1 409017612 SKSAUTVWZSMXLC-UHFFFAOYSA-N 441.509 3.771 0 40 IHAB COc1ccccc1/C=[N+]1\NC(=O)[C@H](NC(=O)c2ccc(C)cc2)[C@H]1c1ccc(Cl)cc1 409059047 QQLKESJOFZBTMK-VNGKGULCSA-O 448.930 3.673 0 40 IHAB Cc1cccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3cc(C)ccc3C)n2C)c1 409130278 LBSAQEVGOIFQFW-KRWDZBQOSA-N 437.569 3.962 0 40 IHAB CN1Cc2ccccc2[C@@H](NC(=O)N2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)C1 533849994 QKJGIRNWVDEJLX-VGSWGCGISA-N 439.535 3.556 0 40 IHAB CC(C)CC(=O)N[C@@H](C(=O)N1CCC2(CC1)C[C@@H]2C(=O)N1CCCCC1)c1ccccc1 540034213 QZTCUICCBSIZEX-FYYLOGMGSA-N 439.600 3.531 0 40 IHAB CCOc1ccc(Br)cc1-c1noc(Cn2nnc(-c3ccccc3)n2)n1 545637825 JFOSBISPCWTIPA-UHFFFAOYSA-N 427.262 3.600 0 40 IHAB Cc1nn(C)c(C)c1/C=C/C(=O)N1CCC[C@H](Cc2cc(Nc3nccs3)ncn2)C1 585292435 MGFXJPATWPIIIV-DKRLNXSXSA-N 437.573 3.522 0 40 IHAB CC(C)(C)NS(=O)(=O)CCNC(=O)N[C@H](c1ccccc1)c1cccc2ccccc12 601257943 XCUAPBRSLQAAIB-JOCHJYFZSA-N 439.581 3.946 0 40 IHAB Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)N3CC[C@H](CC(N)=O)C3)c12 673415476 WMJNIDXHKUJLOS-GFCCVEGCSA-N 432.402 3.555 0 40 IHAB COc1ccc(NC(=O)c2cnn3c2CN(C(=O)c2cc4ccccc4n2C)CCC3)cc1 1565556664 YQHFIMYDODGLBU-UHFFFAOYSA-N 443.507 3.682 0 40 IHAB O=C(c1ccccc1)N1CC[C@H](C(=O)N2CCO[C@H](c3ccccc3C(F)(F)F)C2)C1 1615055383 MFXASRNKCXPYQU-PXNSSMCTSA-N 432.442 3.768 0 40 IHAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(C)c(C)c3)cc2)nc(C)n1 710185 LLIOCGVSFBXIAV-UHFFFAOYSA-N 440.525 3.529 0 40 IHAB O=C(NC(c1ccccc1)c1ccccc1)C1CCN(S(=O)(=O)c2ccccc2)CC1 789564 KLYLIRJKFFVWEM-UHFFFAOYSA-N 434.561 3.993 0 40 IHAB CC(C)Nc1nc(NC(C)C)nc(N(C#N)CCOc2ccc(Br)cc2)n1 852959 UNJQJQJHKFFNIG-UHFFFAOYSA-N 434.342 3.641 0 40 IHAB COC(=O)C1=C(N)N2C/C(=C/c3cccs3)SC2=C(C(=O)OC)[C@@H]1c1cccs1 1579651 UGWXKNXNXALUQV-FWLQQBITSA-N 446.575 3.725 0 40 IHAB CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCN(C)C)cc1OCC 2431286 KGIWAVQQZHESFF-JOCHJYFZSA-N 436.508 3.697 0 40 IHAB O=C(CSc1nc2c(c(=O)n1-c1ccccc1)SCC2)N1CCCc2ccccc21 2459450 ANWAMTYWPVMWHX-UHFFFAOYSA-N 435.574 3.952 0 40 IHAB CC(C)[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)OCc1nc2ccccc2s1 3398508 RGZGJPKYERFDAW-SFHVURJKSA-N 438.958 3.996 0 40 IHAB CCOc1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)c4cccs4)cc3C2=O)cc1 3471441 RTCZFZIDIDDWRC-UHFFFAOYSA-N 435.457 3.987 0 40 IHAB COc1ccc(CN(C(=O)Cc2coc3ccc(C)cc23)[C@H]2CCS(=O)(=O)C2)cc1 8611964 WIPGGSURQKAKCU-IBGZPJMESA-N 427.522 3.508 0 40 IHAB O=C1NC(=O)[C@]2(Cc3ccccc3N3CCC[C@@H]32)C(=O)N1c1cc(Cl)ccc1Cl 8694632 IRCOXFXHTKIHEQ-DYESRHJHSA-N 430.291 3.788 0 40 IHAB COc1ccccc1NC(=O)Cn1c2c(sc1=O)[C@H]1c3ccccc3OC[C@H]1CS2 8752064 OBURMPOKFSCBDA-ORAYPTAESA-N 440.546 3.803 0 40 IHAB C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@@]4(C)[C@H]3C[C@H](O)[C@]21C 8837270 WVULKSPCQVQLCU-IRUZBLBPSA-N 449.632 3.594 0 40 IHAB CCOc1cc(C)ccc1OCc1nnc(S[C@H](C)C(=O)Nc2nccs2)n1C 9263572 QXHOHHGOUMHPLD-CYBMUJFWSA-N 433.559 3.677 0 40 IHAB CCn1c(SCC(=O)Nc2cc(NC(C)=O)ccc2OC)nnc1-c1ccccc1 9308271 LYUNFVBPPOHYSV-UHFFFAOYSA-N 425.514 3.663 0 40 IHAB Cc1csc(NC(=O)CSc2nc(O)c3cnn(-c4cccc(Cl)c4)c3n2)n1 9521333 VDVZCLIRZPNINY-UHFFFAOYSA-N 432.918 3.670 0 40 IHAB CN(C)S(=O)(=O)c1ccc(OCCSc2nc(C3CC3)n(-c3ccccc3)n2)cc1 9579474 OSKRBXPUNYSBDS-UHFFFAOYSA-N 444.582 3.566 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(F)c(F)c(F)c1F 9580437 OCTUWXTWTWUKLO-UHFFFAOYSA-N 430.423 3.978 0 40 IHAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 9620690 FJPJQDDWVKRVJW-QFIPXVFZSA-N 439.471 3.650 0 40 IHAB Cc1ccc(-c2csc3ncn(CC(=O)NCc4ccc5c(c4)OCO5)c(=O)c23)cc1C 9647278 DGUKSGANSJDVLT-UHFFFAOYSA-N 447.516 3.787 0 40 IHAB O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)N[C@@H](c1ccccc1)c1cccs1 9741069 RYWPCZIWHXOMTR-DHLKQENFSA-N 445.544 3.737 0 40 IHAB CCCOC(=O)c1cc(NC(=O)COc2cc(C)cc(C)c2)ccc1N1CCOCC1 9934575 YNEXJIMTOSARSX-UHFFFAOYSA-N 426.513 3.724 0 40 IHAB C[C@H](OC(=O)[C@@H]1CCCN1C(=O)c1cccs1)C(=O)Nc1ncc(Cl)cc1Cl 9961993 RAXRKTHEHKDJDJ-GWCFXTLKSA-N 442.324 3.625 0 40 IHAB CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1cccc(C(=O)O)c1 10060075 AFUGUZXNGBUQIS-UHFFFAOYSA-N 440.525 3.923 0 40 IHAB COC(=O)c1c(NC(=O)CCCS(=O)(=O)Cc2ccccc2)sc2c1CCCC2 10687139 QZBKHVLAXAFTRZ-UHFFFAOYSA-N 435.567 3.747 0 40 IHAB COc1ccc(Cn2nnnc2SCC(=O)N(Cc2ccco2)C2=CCCCC2)cc1 11622230 JDHJQYPUGPYLBB-UHFFFAOYSA-N 439.541 3.902 0 40 IHAB COCC(=O)N1CCC[C@H](c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2cccs2)N3)C1 12183510 DUALCLKDPBRVLY-DUVNUKRYSA-N 428.480 3.957 0 40 IHAB COc1ccc(CC(=O)NC(=S)N(C)c2ccccc2C(=O)NC2CCCCC2)cc1 12293036 XAVGRQUIQMDYSL-UHFFFAOYSA-N 439.581 3.838 0 40 IHAB CCc1nn2c(nnc3c(=O)n(-c4ccc(OC)cc4)ccc32)c1-c1ccc(OC)cc1 12390623 YCOXONHMFYSZFF-UHFFFAOYSA-N 427.464 3.675 0 40 IHAB O=C(NCCCN1CCOCC1)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 12742630 LCTVSGQSYBVIKH-UHFFFAOYSA-N 438.959 3.704 0 40 IHAB CCC(C)(C)NC(=O)[C@@H](c1ccccn1)N(Cc1ccc(C)cc1)C(=O)c1csnn1 12872317 CLPCVZYIYORBCX-HXUWFJFHSA-N 437.569 3.930 0 40 IHAB O=C(COc1ccc2ccccc2c1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 13057248 YRKBJSINYIEKGQ-OAQYLSRUSA-N 443.503 3.663 0 40 IHAB O=C(COC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)/N=c1\sccn1Cc1ccccc1Cl 13076376 NSTRRJBCKKYSIL-HJZSCWJFSA-N 446.956 3.617 0 40 IHAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CN1C(=O)C(=O)c3cc(F)ccc31)CC2 13115241 NCRLFKLYTPIYDX-DEOSSOPVSA-N 446.478 3.977 0 40 IHAB CC[C@H](C(=O)Nc1ccc(Br)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 13715212 UUSUAVKKLVYSMH-MRXNPFEDSA-N 429.311 3.772 0 40 IHAB CC(C)OC(=O)c1ccc2nc(NC(=S)NC(=O)c3ccc4c(c3)OCO4)sc2c1 13722504 DEQWERPWPJRQCF-UHFFFAOYSA-N 443.506 3.717 0 40 IHAB CCOc1cc([C@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccccc2)ccc1O 13777074 OSVXOABBDNRLRR-SGNDLWITSA-N 444.487 3.838 0 40 IHAB O=C(N[C@H]1CCSc2ccc(F)cc21)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 14244115 DZRSCUCKNIPLKE-BBRMVZONSA-N 440.587 3.641 0 40 IHAB Cc1cccc(C(C)C)c1NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 14739613 FNBWUTGQSRUDPX-UHFFFAOYSA-N 430.570 3.711 0 40 IHAB O=c1cc(COc2cccc(NS(=O)(=O)c3ccccc3)c2)nc2ccc(Cl)cn12 15865542 BIXIAQWTLYRLEP-UHFFFAOYSA-N 441.896 3.728 0 40 IHAB Cc1ccc(-c2cccc(C[C@@]3(C(=O)N(C)C)CN(C(=O)c4ccccn4)CCO3)c2)cc1 19212744 HOWXUPJDGGSDMY-MHZLTWQESA-N 443.547 3.599 0 40 IHAB CNC(=O)[C@]1(Cc2ccccc2-c2ccc(C)cc2)CCCN(C(=O)c2cnccn2)C1 19212813 JXUNWUZOCIAQCH-SANMLTNESA-N 428.536 3.663 0 40 IHAB COCc1ccc(C(=O)NCCn2ncc(-c3ccc(F)cc3)c2-c2nccn2C)cc1 19291779 GGADHQVPXZSHIX-UHFFFAOYSA-N 433.487 3.666 0 40 IHAB CC(C)c1cc(C(=O)N2CCC(c3cc(C(=O)NCc4ccc(F)cc4)on3)CC2)no1 19452674 QUVDUXHLNBKWRW-UHFFFAOYSA-N 440.475 3.875 0 40 IHAB CCNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)c2cnccn2)C1 19528717 IHUFHBINBAWDEF-DEOSSOPVSA-N 434.565 3.806 0 40 IHAB COc1cccc(C(=O)N2CCC(c3cc(N(C)C)nc(-c4cccnc4)n3)CC2)c1OC 19584465 ASOVGRGQVDETPS-UHFFFAOYSA-N 447.539 3.642 0 40 IHAB COc1ccc(CC(=O)N2CCC[C@H](c3cc(N(C)C)nc(-c4ccncc4)n3)C2)cc1F 19584552 NWOMBJDTTGRNNA-IBGZPJMESA-N 449.530 3.701 0 40 IHAB CN(Cc1ccccc1)C(=O)c1c[nH]nc1-c1ccc(CNC(=O)c2cccnc2)cc1 19586507 VJUBZZXXJIXSFE-UHFFFAOYSA-N 425.492 3.674 0 40 IHAB Cc1ccc(CN2C(=O)CCc3c(C)nc([C@@H]4CCCN4C(=O)COC(C)C)nc32)cc1 19741985 NSXXEKRDRGGRRF-NRFANRHFSA-N 436.556 3.661 0 40 IHAB COc1cc(OC)cc(C(=O)Nc2nc(-c3ccc4c(c3)N(C)C(=O)[C@H](C)O4)cs2)c1 19796671 ZDWLCPSDKXPJLQ-LBPRGKRZSA-N 439.493 3.823 0 40 IHAB COc1ccc([C@@H]2CC(=O)c3cnc(N4CCN(Cc5ccccc5)CC4)nc3C2)cc1 19899879 INKFNGXPLFWEDG-NRFANRHFSA-N 428.536 3.720 0 40 IHAB CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)c(F)c2)c(Cl)c1 20023443 KRFQUYNFIMNZAB-UHFFFAOYSA-N 432.876 3.714 0 40 IHAB CC(C)(C)NC(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2F)CC1 22851552 JNUZJQYPXJKSDC-HXUWFJFHSA-N 442.535 3.515 0 40 IHAB COc1ccc(NC(=O)Cc2c(C)nc(SCc3ccccc3F)[nH]c2=O)c(OC)c1 23138610 USSJZXXLQAFVNI-UHFFFAOYSA-N 443.500 3.708 0 40 IHAB O=C(c1ccccc1)c1ccc(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1 23881432 MMBNYUBDAAMOAV-UHFFFAOYSA-N 426.516 3.811 0 40 IHAB Cn1c(SC[C@H](O)COc2ccc(Cl)cc2)nnc1[C@H]1COc2ccccc2O1 24828460 ASIMMCQQXURFPA-RDTXWAMCSA-N 433.917 3.513 0 40 IHAB COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)N2CCC[C@@H]2c2ccc(OC)c(OC)c2)cc1 25613412 NKJLVPQYPYSSHE-HUDQIHRKSA-N 438.524 3.594 0 40 IHAB Cc1ccc2nc(-c3ccc(NC(=O)CN4CCN(c5cnccn5)CC4)cc3)sc2c1 27638983 USQXIRZAGVOVIB-UHFFFAOYSA-N 444.564 3.822 0 40 IHAB C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)c1ccc(Cl)c(Cl)c1 28743196 ZYRKFDMLOIIITH-SNVBAGLBSA-N 437.295 3.817 0 40 IHAB COc1ccc(-c2nc(CC(=O)NC[C@@H](c3cccc(F)c3)N(C)C)cs2)cc1OC 32729954 QZJUXVOKQPECBI-IBGZPJMESA-N 443.544 3.928 0 40 IHAB CCCOc1c(Cl)cc(C(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)cc1OC 32901169 BFHABJNRIFCFIH-UHFFFAOYSA-N 446.931 3.540 0 40 IHAB Cc1cc(SCC(=O)Nc2ccccc2F)nc2ccc(S(=O)(=O)N(C)C)cc12 33087806 LMQWKWLBOJFDEO-UHFFFAOYSA-N 433.530 3.663 0 40 IHAB Cc1nn(Cc2ccccc2)c(Cl)c1/C=C/C(=O)OCN1C(=O)c2ccccc2C1=O 33648427 SGCVUKCLXNYXHX-VAWYXSNFSA-N 435.867 3.703 0 40 IHAB COc1ccc(C(=O)Nc2cc(C)ccc2OCc2cc(=O)n3oc(C)cc3n2)cc1OC 35448127 BMBVASMODWGRFB-UHFFFAOYSA-N 449.463 3.753 0 40 IHAB CCn1ncc([C@H](C)NC(=O)c2cc(-c3ccc(OC)cc3)nc3c2c(C)nn3C)c1C 36613308 WTITYQWJNRHQCP-AWEZNQCLSA-N 432.528 3.968 0 40 IHAB CCN(c1ccccc1)S(=O)(=O)c1cc(-c2nn(C)c(=O)c3c2CCCC3)ccc1C 46027407 IDJMJQYLROFQNM-UHFFFAOYSA-N 437.565 3.850 0 40 IHAB COC(=O)[C@@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)c1ccc(C(C)(C)C)cc1 46086010 ZLQLADVMVWJUAU-MOPGFXCFSA-N 436.618 3.540 0 40 IHAB CCOC(=O)c1ccn(-c2cccc(NC(=O)c3cc4cc(OC)cc(OC)c4[nH]3)c2)n1 48326089 OSPDAXQOXHIYCR-UHFFFAOYSA-N 434.452 3.800 0 40 IHAB Cc1ccc(Cl)cc1Nc1nc(N)nc(CN2CCN(c3ccc(F)cc3)CC2)n1 54672171 SBCUKHHZKPSIRG-UHFFFAOYSA-N 427.915 3.621 0 40 IHAB COC(=O)CCOc1ccc(S(=O)(=O)Nc2ccc(C)cc2Br)cc1 59768447 UNUXUJBWHURDHH-UHFFFAOYSA-N 428.304 3.500 0 40 IHAB CCCCNC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2cc(C(C)(C)C)ccc2O1 64985611 RGSMJYKRVTWYJP-NRFANRHFSA-N 430.570 3.857 0 40 IHAB O=C(Nc1ccccc1)c1ccc(CN2CCN(C(=O)c3n[nH]c4ccccc34)CC2)cc1 69926029 UKAMCNCFJWLCGJ-UHFFFAOYSA-N 439.519 3.773 0 40 IHAB CCn1cc(C(=O)N2CCC(c3nnc(-c4ccco4)s3)CC2)c(=O)c2ccc(C)nc21 77177550 UWJVLXBGTRMOKR-UHFFFAOYSA-N 449.536 3.856 0 40 IHAB CCOc1ccccc1OCC(=O)N1C[C@H](NC(=O)OC(C)(C)C)CC[C@H]1C(F)(F)F 95993585 GTFPMUOUHADAET-PBHICJAKSA-N 446.466 3.911 0 40 IHAB O=C(C[C@@H]1CC2(CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c2ccccc21)NCC1CC1 96241991 RTTUVENFZWDRKG-HXUWFJFHSA-N 446.547 3.993 0 40 IHAB CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1[C@H](C)NC(=O)c1ccccc1F 107763642 QQLGQHJKFFAVIA-ZDUSSCGKSA-N 445.495 3.798 0 40 IHAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H](C)N(c1ccccc1F)S(C)(=O)=O 220320215 MSHMTMVNNLBYEM-CRAIPNDOSA-N 434.533 3.707 0 40 IHAB CC[C@H](C(=O)NCCSCc1ccc(C)cc1)N(c1ccccc1F)S(C)(=O)=O 220589468 XYRRWIHFSRKLDB-LJQANCHMSA-N 438.590 3.728 0 40 IHAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N(C)c3ccc(F)cc3)cc2)cc1 222675073 DHYBECMYNIZZSI-UHFFFAOYSA-N 428.485 3.977 0 40 IHAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2Cc2cccnc2)N1Cc1ccncc1 223490064 SFLZABSGZJIEGT-XZOQPEGZSA-N 426.549 3.894 0 40 IHAB CC[C@H](C(=O)NCCOc1cccc2ccccc12)N(c1ccccc1F)S(C)(=O)=O 223563748 ZRYLMRIIUIJCRS-HXUWFJFHSA-N 444.528 3.719 0 40 IHAB Cc1ccc(N(CC(=O)NCCOc2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1 223722874 RXNDKVWLYIRBIR-UHFFFAOYSA-N 442.512 3.525 0 40 IHAB COc1ccccc1OC[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 223999355 UMDOPTOQAONSKJ-OAHLLOKOSA-N 446.550 3.755 0 40 IHAB COc1ccccc1NS(=O)(=O)c1ccc(NS(=O)(=O)Cc2ccc(C)cc2)cc1 224548595 WPUFLSBQPNSUQK-UHFFFAOYSA-N 446.550 3.746 0 40 IHAB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)Nc2ccccc2C(F)(F)F)s1 224715931 YRUPWNQNWSPNIF-UHFFFAOYSA-N 442.444 3.918 0 40 IHAB COC(=O)CCCCCNC(=O)[C@H]1[C@H](c2ccccc2)[C@@H](C(=O)OC)[C@@H]1c1ccccc1 245377314 JNHLRGWIUHMBAL-WAPCQROESA-N 437.536 3.823 0 40 IHAB COc1cc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(=O)C(C)C)ccc1OCCO 257300215 RTKRJARFFJERPY-NPNWRTNISA-N 431.573 3.721 0 40 IHAB CCCOc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)NCC(C)C)CC2=O)cc1 408615176 MWJLBAOLIKASQP-SFHVURJKSA-N 437.540 3.853 0 40 IHAB Cc1cc(OC[C@]2(CC(=O)N3CCCCC3)CN(C(=O)CC3CC3)CCO2)ccc1Cl 585283241 CPSDCNSLHSXOJS-DEOSSOPVSA-N 448.991 3.828 0 40 IHAB Cc1ccnn1CCC(=O)N1CCC[C@@]2(CCCCCOc3ccccc3C(=O)NC2)C1 643559564 RZMSQTQOEBUELN-RUZDIDTESA-N 438.572 3.573 0 40 IHAB O=C(O)CN1CCOC[C@@H](Cc2ccnc(Nc3ncc(-c4ccc(F)cc4)s3)c2)C1 2037849925 OEIYZUKQXMAQRX-INIZCTEOSA-N 442.516 3.663 0 40 IHAB CC[n+]1c(C)n(-c2ccccc2)c2ccc(S(=O)(=O)N(C(C)=O)c3ccccc3)cc21 829504 GZWOXVKBWJQEHT-UHFFFAOYSA-N 434.541 3.988 0 40 IHAB Cc1c(Cl)cccc1NC(=O)Cn1cnc2c(cnn2-c2ccccc2Cl)c1=O 1330908 CUYGIIPPUCNWRH-UHFFFAOYSA-N 428.279 3.836 0 40 IHAB COc1ccccc1Cn1c(N)c(C(=O)NCCCOC(C)C)c2nc3ccccc3nc21 2405301 GOWSGLVMQGHATR-UHFFFAOYSA-N 447.539 3.769 0 40 IHAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\C(=O)Nc3ccc(Cl)cc3)C2=O)cc1 2716170 KKFFMZRDMKTVIJ-YBEGLDIGSA-N 429.885 3.805 0 40 IHAB Cc1nnc2n1N[C@H](c1ccc(Cl)cc1)[C@@H](C(=O)c1ccc3c(c1)OCCO3)S2 3337740 PLWOBOHZWJEHQR-MJGOQNOKSA-N 428.901 3.653 0 40 IHAB O=C(CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1)c1ccc2c(c1)OCO2 3347875 JCMRFAAUCHFSTC-CQSZACIVSA-N 429.523 3.889 0 40 IHAB O=C(COC(=O)CNC(=O)c1ccccc1F)Nc1ccccc1Sc1ccccc1 3369931 GYHMIZVSGZUZQU-UHFFFAOYSA-N 438.480 3.889 0 40 IHAB Cc1ccc(C)c(-n2c(SCC(=O)NC[C@@H]3CCCO3)nnc2-c2ccoc2C)c1 4093503 GSHATTGVICZJAR-KRWDZBQOSA-N 426.542 3.840 0 40 IHAB O=c1ccn([C@@H]2C=C[C@H](OC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)[nH]1 4106362 QMBXXDQXCWZTRH-DQEYMECFSA-N 438.483 3.956 0 40 IHAB O=C(c1cnccn1)N1C[C@@H]2C[C@H](C1)c1c(-c3cc4ccccc4s3)ccc(=O)n1C2 4237413 QFKKENXARBFVOZ-DOTOQJQBSA-N 428.517 3.780 0 40 IHAB biogenic,in-vitro COc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)N2CC(C)C)cc1 4738778 OJFZJMLGISYQKS-FQEVSTJZSA-N 425.485 3.526 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc3cccnc23)Cc2ccco2)cc1 8726331 XTHJDIUGWBOWOD-UHFFFAOYSA-N 435.505 3.966 0 40 IHAB COc1ccc2c(c1OC)C(=O)O[C@H]2c1c(O)nc(=S)n(-c2ccccc2C)c1O 9008650 IWUFJMODKFQUEV-MRXNPFEDSA-N 426.450 3.598 0 40 IHAB COc1ccc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)cc1S(N)(=O)=O 9126061 DIGYSVXDZZOOOQ-FQEVSTJZSA-N 428.535 3.815 0 40 IHAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1ccc2c(=O)n3c(nc2c1)CCCCC3 9283209 PHCPINRLCXUBKU-NRFANRHFSA-N 434.540 3.673 0 40 IHAB Cc1cccc(-c2nc3scc(CCNC(=O)C(=O)Nc4cccc(C)c4C)n3n2)c1 9569087 DBNULWRYQZJTPP-UHFFFAOYSA-N 433.537 3.680 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2)c2ccc(Cl)cc2)cc1 9600863 WYXVGFGZWCQSBT-UHFFFAOYSA-N 444.940 3.860 0 40 IHAB CS(=O)(=O)c1cccc(-c2nnc(NC(=O)c3ccc(Cc4ccccc4)cc3)o2)c1 9707641 UPUXAONGDZJTBH-UHFFFAOYSA-N 433.489 3.983 0 40 IHAB Cc1cccc(NC(=O)CNC(=O)CCc2c(C)nc3c4ccccc4nn3c2C)c1C 10051633 FAKNTORIEZBQAF-UHFFFAOYSA-N 429.524 3.804 0 40 IHAB Cc1ccc(-n2nc3c(c2NC(=O)C(=O)NCCCc2ccccc2)CSC3)c(C)c1 10220920 RPSSSPSJOOJQKQ-UHFFFAOYSA-N 434.565 3.923 0 40 IHAB Cc1ccc(-n2ncc3c(=O)n(NC(=O)c4ccc(C(F)(F)F)cc4)cnc32)cc1C 10252082 WNQUXWTYTDXVJG-UHFFFAOYSA-N 427.386 3.602 0 40 IHAB O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N(C(=O)N1CCCCC1)c1ccccc1 10254485 WQTOMDZIRLWAIY-UHFFFAOYSA-N 441.553 3.724 0 40 IHAB CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(-c3ccc(F)cc3)s1)n2CCOC 10945771 XFRYEARCFLMADV-UHFFFAOYSA-N 442.516 3.867 0 40 IHAB CC(C)(C)C1CCC(C(=O)OCC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)CC1 11342739 VNVDSLGZQFLYGT-QLOJAFMTSA-N 435.586 3.602 0 40 IHAB Cc1cc2ncn(S(=O)(=O)c3ccc(I)cc3C)c2cc1C 11566442 XDMNPROVEIAOSZ-UHFFFAOYSA-N 426.279 3.803 0 40 IHAB Brc1ccc(Cc2nnc3n2N=C(c2ccc4c(c2)OCCO4)CS3)cc1 12563765 JGSNUUOYTXIHSN-UHFFFAOYSA-N 443.326 3.761 0 40 IHAB C[C@H](NC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)c1cccc2ccccc12 12731225 WFLOSUDEVSEJPI-PXNSSMCTSA-N 438.549 3.788 0 40 IHAB CCCCNS(=O)(=O)c1ccc2nc(SCC(=O)Nc3ccccc3C)[nH]c2c1 12817837 UVKUSHHOGLNSPY-UHFFFAOYSA-N 432.571 3.681 0 40 IHAB O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)Nc1ccc2c(c1)OCCO2 12863614 UBTJCELJWNDVSR-UHFFFAOYSA-N 425.491 3.596 0 40 IHAB C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)Cn1c(=O)cnc2ccccc21 12916743 KATKAYJUDLAKGZ-GOSISDBHSA-N 440.503 3.868 0 40 IHAB CCn1c(SCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)nnc1C1CC1 13002786 HEUYISQYOFRTIE-CQSZACIVSA-N 439.463 3.574 0 40 IHAB O=C([C@@H](Sc1ncnc2c1cnn2-c1ccccc1)c1ccccc1)N1CCOCC1 13126790 HZJDICDQPPSWBV-FQEVSTJZSA-N 431.521 3.508 0 40 IHAB C[C@@H](NC(=O)CN1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21)c1cc2ccccc2o1 13126853 YMNUIXYGHPHEHY-KOSHJBKYSA-N 447.535 3.890 0 40 IHAB CC[C@H](C(=O)Nc1cc(C(=O)OC)ccc1C)N(c1cccc(Cl)c1)S(C)(=O)=O 13712378 DVKFSUPGBLEHSC-GOSISDBHSA-N 438.933 3.618 0 40 IHAB Cc1[nH]c2ccc(C(=O)NN3C(=O)NC(c4ccccc4)(c4ccccc4)C3=O)cc2c1C 14070885 AAEAVQNSFQWXLJ-UHFFFAOYSA-N 438.487 3.925 0 40 IHAB CCOc1ncccc1C(=O)Nc1nnc(SCC(=O)Nc2ccc(C)cc2C)s1 14117083 AMUDVQZIRXXLNG-UHFFFAOYSA-N 443.554 3.932 0 40 IHAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)Cn2cnc3ccccc3c2=O)cc1 14128776 PSFOWHQLUUTPFX-XMMPIXPASA-N 438.487 3.783 0 40 IHAB O=C(Cn1c(=O)cnc2ccccc21)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 14502426 ALGQTLQSWOMYGL-UHFFFAOYSA-N 449.514 3.625 0 40 IHAB CC1(C)CS(=O)(=O)N(c2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)C1=O 15858668 WVQSZRZPIPDHDC-UHFFFAOYSA-N 426.416 3.660 0 40 IHAB CNc1snc(C)c1C(=O)OCc1csc(N(C(C)=O)c2ccccc2OC)n1 16552787 HGSHOPFYALRZKK-UHFFFAOYSA-N 432.527 4.000 0 40 IHAB COc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccc(Cl)cc5)no4)ccn3n2)cc1 16841987 HXQMWLAFEDONGI-UHFFFAOYSA-N 433.855 3.923 0 40 IHAB COc1cccc2sc(NC(=O)[C@@H]3CCCCN3S(=O)(=O)c3cccs3)nc12 16960777 OEBSTGMWTHINET-LBPRGKRZSA-N 437.568 3.548 0 40 IHAB COc1ccccc1C(=O)NC(=S)Nc1ccc(I)cc1F 17096742 MOJWJCACOXPWBC-UHFFFAOYSA-N 430.242 3.566 0 40 IHAB CC(C)C(=O)N1CCC[C@@H](c2cc(=O)[nH]c(C3CCN(CC4CCCCC4)CC3)n2)C1 19085469 HYENFLRFXVUNSV-OAQYLSRUSA-N 428.621 3.892 0 40 IHAB Cc1cc(-c2cnc(N3CCC(NC(=O)Cc4ccccc4F)CC3)nc2C2CC2)on1 19121725 XZRCRANMQZXMKD-UHFFFAOYSA-N 435.503 3.784 0 40 IHAB CCN1CCN(C(=O)c2nccn2C)C[C@@H](Cc2cccc(-c3ccccc3C)c2)C1=O 19527532 ZUISQSJLEPMEMS-JOCHJYFZSA-N 430.552 3.559 0 40 IHAB Cc1nc(C)c(C(=O)N(C[C@H]2CCCO2)c2nc3c(s2)CCc2c-3cnn2C)s1 19559955 RKSLQWLLZXYPTJ-CYBMUJFWSA-N 429.571 3.541 0 40 IHAB Cc1cc(C(=O)CN2CCC(O)(CN3CCCC[C@H]3c3cccnc3)CC2)c(C)s1 19567832 BAGVEDPACJJYEH-QFIPXVFZSA-N 427.614 3.997 0 40 IHAB Cc1cc(C)cc(O[C@H](C)C(=O)N2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)c1 19569699 FBAAOHBZMNOHEU-KCITZHQASA-N 433.503 3.591 0 40 IHAB Cc1nc(C)c(C(=O)N2CCC[C@@H](c3nc(C)c4c(n3)N(Cc3ccccn3)CCC4)C2)o1 19752584 OYPSJKLBVVGGRQ-LJQANCHMSA-N 446.555 3.757 0 40 IHAB CN(C)C(=O)c1cc([C@@H]2CCN(CC(=O)N3CCCc4ccccc43)C2)nc2ccccc12 19760966 YSLVWIZHYFNKMY-HXUWFJFHSA-N 442.563 3.705 0 40 IHAB COc1ccc(N(CC(=O)N(C)Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 21192518 OKRLCVVLWBNCKR-UHFFFAOYSA-N 438.549 3.858 0 40 IHAB COc1cccc(CNCCCSc2nnnn2C)c1OCc1ccccc1Cl 22109176 QQFNUZAMIYEOET-UHFFFAOYSA-N 433.965 3.723 0 40 IHAB CCOC(=O)C1CCN(C(=O)[C@H](C)Sc2nc(C(F)(F)F)nc3ccccc23)CC1 22248624 BAAJVFPEXJDCBI-LBPRGKRZSA-N 441.475 3.931 0 40 IHAB CCN(CC)C(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1 22276209 BSQAXNCFOQDXJS-UHFFFAOYSA-N 439.375 3.821 0 40 IHAB COc1ccccc1NC(=O)C(=O)NC[C@@H](c1cccs1)N1CCc2ccccc2C1 22908220 KBPHIQCOYBMOTR-FQEVSTJZSA-N 435.549 3.611 0 40 IHAB Cc1cnc2c(S(=O)(=O)N3CCC(C(=O)N(C)Cc4ccc(C)o4)CC3)cccc2c1 23392963 PXVGFGWSKYZBAJ-UHFFFAOYSA-N 441.553 3.504 0 40 IHAB CCOC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c1 26783654 DPBLZNZYBKQWKP-UHFFFAOYSA-N 438.505 3.941 0 40 IHAB Cc1cc(=O)c(C(=O)NC[C@H](c2cccs2)N2CCCC2)nn1-c1ccc(Cl)cc1 27605741 ZTNJMXIKPKKOCR-GOSISDBHSA-N 442.972 3.823 0 40 IHAB COc1ccc(-c2nnc(S[C@H](C)C(=O)NCc3ccco3)n2C[C@H]2CCCO2)cc1 28678064 PHWFFGRLNVJGNC-DNVCBOLYSA-N 442.541 3.523 0 40 IHAB C[C@H](Sc1nc(O)c2cnn(-c3ccccc3)c2n1)C(=O)Nc1ccc(F)cc1F 32774466 OQANZFAHHFBDBQ-NSHDSACASA-N 427.436 3.919 0 40 IHAB O=C(NCc1nnc2n1CCC2)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 32889105 KJRTVIJEGHTVMU-UHFFFAOYSA-N 432.915 3.720 0 40 IHAB O=C(/C=C/c1cc(Br)ccc1F)N1CCN(Cc2ccc3c(c2)OCO3)CC1 33005182 NMHAAFBXZLCTMH-QHHAFSJGSA-N 447.304 3.675 0 40 IHAB CCn1c(SCC(=O)Nc2cccc(C)c2)nc2c3cc(OC)ccc3n(C)c2c1=O 33287500 KDNBUPZVXUIELZ-UHFFFAOYSA-N 436.537 3.956 0 40 IHAB CCc1cccc(C)c1NC(=O)CN1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 34898224 PSAQWRWPFXYKAR-UHFFFAOYSA-N 443.613 3.626 0 40 IHAB COc1ccc2[nH]c(=O)c([C@H]3c4cc(OC)c(OC)cc4CCN3C(=O)C(C)C)cc2c1 35314690 SGRDOROTOJQXCR-HSZRJFAPSA-N 436.508 3.684 0 40 IHAB Cc1cc(C)cc(NC(=O)Cn2nc3c4cc(-c5ccc(Cl)cc5)nn4ccn3c2=O)c1 38487395 FFUSWKNUKUWKNX-UHFFFAOYSA-N 446.898 3.720 0 40 IHAB CC(C)(CNC(=O)CCc1nc(-c2ccccn2)no1)c1ccc(Br)cc1 40113416 HJSALGCGTDFGLG-UHFFFAOYSA-N 429.318 3.921 0 40 IHAB Cc1nc(-c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCCCC4)cn3C)cc2)oc1C 40156461 SYDMURGFSYDOAW-UHFFFAOYSA-N 442.541 3.724 0 40 IHAB CC[C@@H](Oc1ccccc1)C(=O)Nc1cccc(OCc2cc(=O)n3oc(C)cc3n2)c1 41076599 FRPDKUPVORDTAZ-OAQYLSRUSA-N 433.464 3.971 0 40 IHAB O=C(Nc1ccccc1)C1CCN(C(=O)CN2CCC(CCc3ccc(O)cc3)CC2)CC1 48314099 LCVMHGYQJRKQIT-UHFFFAOYSA-N 449.595 3.914 0 40 IHAB Cc1ccc2c(=O)c(C(=O)Nc3cccc(F)c3)cn(CC(=O)Nc3ccccc3)c2n1 49002137 PPANGHZDGKKYMJ-UHFFFAOYSA-N 430.439 3.735 0 40 IHAB CCn1c(CC(=O)Nc2cc(C)ccc2C)nnc1SCC(=O)N1CCc2ccccc21 57291763 AQECSUZOQJMEBJ-UHFFFAOYSA-N 449.580 3.777 0 40 IHAB O=C(Nc1cccc(Br)n1)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 58423449 GEJFIXUSVQHUNG-LBPRGKRZSA-N 442.235 3.850 0 40 IHAB Cc1ccc(NC(=O)CSc2nnc3c(=O)n(-c4ccccc4)ccn23)c(Cl)c1 64593453 WWQNZXYWFQPCNC-UHFFFAOYSA-N 425.901 3.573 0 40 IHAB CCOc1cc(C(=O)OCC(=O)N[C@@H](C)c2cccc(OC)c2)cc(OCC)c1OCC 67197571 OBPAHPORXZQKGH-INIZCTEOSA-N 445.512 3.926 0 40 IHAB CCOc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccc(F)c(Cl)c3)c2C)cc1 67323119 AOCQZPPJYPDDMA-UHFFFAOYSA-N 431.855 3.669 0 40 IHAB O=C(Nc1ccc(N2CCCCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 71804563 XWEAIJQZHPPVJH-GOSISDBHSA-N 445.560 3.855 0 40 IHAB O=C(NC1CCCCC1)c1cc(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)ccc1Cl 71818537 UDTMJVHZTSSHNS-HNNXBMFYSA-N 443.931 3.983 0 40 IHAB COc1ccc2c(c1)C=C(C(=O)N1CCC[C@H](c3cc(-c4cnn(C)c4)cc(C)n3)C1)CO2 72353676 WTWCUPUCTQBYOS-SFHVURJKSA-N 444.535 3.981 0 40 IHAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](c2cc(-c3cnn(C)c3)cc(C)n2)C1 72353729 PHNXPWYVDAXJTG-MRXNPFEDSA-N 444.532 3.507 0 40 IHAB CCn1ccc(C(=O)N2CC[C@@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)[nH]n3)C2)n1 72371670 MNVLXPCQMXPCCO-OAHLLOKOSA-N 447.461 3.896 0 40 IHAB CCc1nc(CC(=O)NCc2ccc(N(C)C(=O)Cc3csc(CC)n3)cc2)cs1 95451337 XSDHXPOLRDKRRD-UHFFFAOYSA-N 442.610 3.789 0 40 IHAB Cc1cc(Oc2ccc(NC(=O)c3cc(S(C)(=O)=O)ccc3OC(C)C)cc2)n[nH]1 95461547 UVBRLWPMWFGKGQ-UHFFFAOYSA-N 429.498 3.953 0 40 IHAB Cc1nc2c3ccc(Br)cc3nn2c(C)c1CC(=O)NCCc1ccco1 95479154 MHMZJLPOHFJINJ-UHFFFAOYSA-N 427.302 3.756 0 40 IHAB COC(=O)C[C@@H](NCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(OC)c(OC)c1 97109123 ZUMSDTWBGZQDLT-MRXNPFEDSA-N 431.876 3.801 0 40 IHAB CC(C)OC(=O)CN1C(=O)S/C(=C\c2cc(Br)cc(Cl)c2O)C1=O 106753726 QZVUHSNGYGFOAY-WCIBSUBMSA-N 434.695 3.796 0 40 IHAB O=C(CSc1nc2ccccc2s1)N1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2)CC1 109069688 BZJWQUOOALCTGW-ROUUACIJSA-N 437.590 3.863 0 40 IHAB CC(C)Oc1cccc(CCCNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1 219977671 YETWKNRXXYGWEC-UHFFFAOYSA-N 430.570 3.621 0 40 IHAB COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2nccs2)c1C 223042365 YBEXVLIWRZDPAL-RTBURBONSA-N 427.599 3.955 0 40 IHAB COc1ccc(CCCNS(=O)(=O)c2ccc(SC)c(NC(=O)C(C)C)c2)cc1 223706194 VMCWBSBVNACVAG-UHFFFAOYSA-N 436.599 3.923 0 40 IHAB Cc1ccc(C(=O)NCCOc2ccc(F)cc2)cc1S(=O)(=O)Nc1ccccc1 223939649 ROLBLGFTVBRTAT-UHFFFAOYSA-N 428.485 3.744 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCC1CCCCC1)c1cccc(Br)c1 224675870 VMYILZFZPADXNK-UHFFFAOYSA-N 431.396 3.692 0 40 IHAB CC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(OC)c(C)c1 225475962 RDSUKQJRUDTBKB-NRFANRHFSA-N 430.570 3.672 0 40 IHAB O=C(Cc1ccccc1Br)NC1CCN(c2cc(C(F)(F)F)ncn2)CC1 225724028 WUPHMJFKGZYGOH-UHFFFAOYSA-N 443.267 3.586 0 40 IHAB O=C(c1ccc(OC(F)(F)F)cc1)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1 225820479 ZANHDOXVGITGPG-UHFFFAOYSA-N 447.413 3.659 0 40 IHAB COc1ccccc1Cc1cnc([C@@H]2CCCCN2C(=O)CNC(=O)c2ccccc2)o1 257218934 DEXDZMZJIDLEGJ-NRFANRHFSA-N 433.508 3.758 0 40 IHAB Cc1cc(C)n(-c2cc(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)ccc2F)n1 257236375 HBXBYOXFXAQLIY-UHFFFAOYSA-N 444.513 3.894 0 40 IHAB Cc1cc(-c2cn(C)nc2[C@H]2CC[C@H](CNC(=O)Cc3ccc4c(c3)OCO4)CC2)on1 257274775 NMOWGWFKBDKPJP-SAABIXHNSA-N 436.512 3.745 0 40 IHAB Cc1cc(Cc2cccc(C(F)(F)F)c2)cc([C@H]2CN(C(=O)CN3CCCC3)CCO2)n1 257278134 OAYIZLVGHSZPIJ-JOCHJYFZSA-N 447.501 3.995 0 40 IHAB CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CCN(C(=O)c4cccc(OCC(=O)O)c4)[C@H]3C[C@H]21 257298574 RMIGQCXWBRZYQE-XZYOPWHXSA-N 437.492 3.682 0 40 IHAB O=C(c1ccccc1OCCN1CCOCC1)N1CC[C@@H](Cc2cccc3ncccc23)C1 257309487 UBDFPQFRZFDMGP-NRFANRHFSA-N 445.563 3.651 0 40 IHAB CCCc1cc(C(=O)N2CCC(c3nnc([C@@H]4CCCCN4C(=O)C(C)C)o3)CC2)no1 257310345 UESACYJDEVKZEQ-IBGZPJMESA-N 443.548 3.740 0 40 IHAB CC(C)n1cc2c(n1)C1(CCN(c3ncccn3)CC1)CN(C(=O)c1ccc(F)cc1)C2 306136948 QHFPIASIXBBPPI-UHFFFAOYSA-N 434.519 3.587 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCCC2)c2ccccc2OC)cc1 409028564 OVODAYGGNOKYGC-UHFFFAOYSA-N 446.569 3.738 0 40 IHAB COc1cc(Cl)ccc1C(=O)N1CCc2[nH]nc(-c3cccc4c3CN(C)C4)c2CC1 585110320 FHONKVLHFDDFTM-UHFFFAOYSA-N 436.943 3.925 0 40 IHAB COc1ccc(CCNC(=O)[C@H]2CN(C)C[C@@H]2c2ccc(CNC3CCCC3)cc2)cc1 585169186 CZRLDURDFZEVIG-FTJBHMTQSA-N 435.612 3.732 0 40 IHAB CN(Cc1cc2ccccc2[nH]1)C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 1252699516 CHSUJPJKELTZRB-HNNXBMFYSA-N 426.314 3.942 0 40 IHAB COc1ccc([C@@H](CC(=O)NCC2(N(C)C)CCCCC2)c2oc(C)cc(=O)c2O)cc1 1547138194 ADTQUIRHLDIROR-HXUWFJFHSA-N 442.556 3.565 0 40 IHAB biogenic Cc1cccc2cc(CN(C[C@@H]3CCCO3)C(=S)NCCc3ccccc3)c(=O)[nH]c12 907799 QFICECPWECHHIL-QFIPXVFZSA-N 435.593 3.935 0 40 IHAB N=c1n(CCN2CCCCC2)c2ccccc2n1C[C@H](O)c1cccc(Br)c1 1157902 BGNXMDRDUPEAQZ-NRFANRHFSA-N 443.389 3.904 0 40 IHAB Cc1ccc(NC(=O)CN2C(=O)C(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 1355281 UDZIEIMCAOHIKH-UHFFFAOYSA-N 435.524 3.764 0 40 IHAB Cc1c(CCC(=O)NCCCC(=O)O)c(=O)oc2c(C)c3oc4c(c3cc12)CCCC4 2107091 WJTGLXBJEVWCPV-UHFFFAOYSA-N 425.481 3.948 0 40 IHAB biogenic O=C(CCCOC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccccc1 2654841 PUENHJIFZLUAOT-UHFFFAOYSA-N 435.929 3.944 0 40 IHAB O=C(CSc1nc2c(c(=O)n1-c1ccc(Cl)cc1)SCC2)Nc1nccs1 2719994 XVKMFHSANYFSJE-UHFFFAOYSA-N 436.971 3.721 0 40 IHAB aggregator CCOc1ccc2nc(SCC(=O)N3Cc4ccccc4C[C@H]3C(=O)O)sc2c1 3298218 XQHMLPFTPHUSLM-KRWDZBQOSA-N 428.535 3.825 0 40 IHAB CCc1ccc(N2C[C@@H](C(=O)OCc3cc(=O)n4c(n3)sc3ccccc34)CC2=O)cc1 3413444 JZRVJJWZSFYCPH-INIZCTEOSA-N 447.516 3.568 0 40 IHAB CC1=CCC(=O)[C@]2(C)[C@H]1[C@H](O)[C@H]1O[C@H]3C[C@@H](c4ccoc4)C(C)=C3[C@]1(C)[C@@H]2CC(=O)O 8618850 WLPQYBOZJVUQFL-DGDNQIFBSA-N 426.509 3.864 0 40 IHAB CCOc1ccc([C@@H]2Nn3c(nnc3-c3ccccc3)S[C@H]2C(=O)N(CC)CC)cc1 9238472 TZJCQTPOHJIBBK-VQTJNVASSA-N 437.569 3.971 0 40 IHAB Cc1cc2oc(=O)cc(COC(=O)CCNS(=O)(=O)c3cccs3)c2cc1C(C)C 9284064 JPGXTHXWQILCFH-UHFFFAOYSA-N 449.550 3.698 0 40 IHAB CCOc1cc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2C[C@H]2CCCO2)ccc1O 9408919 ZIMZOJXVKKUDFO-IQMFZBJNSA-N 435.480 3.611 0 40 IHAB COc1ccc(S(=O)(=O)N[C@H](C)CCc2ccccc2)cc1C(=O)N1CCCCC1 9426089 UPGIDZCNBPDUIR-GOSISDBHSA-N 430.570 3.621 0 40 IHAB CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccco3)o2)cc1 9427876 HPCMWJWMYLJWKK-OAHLLOKOSA-N 430.486 3.535 0 40 IHAB Cc1ccc(-n2c(SCC(=O)NC(=O)NC(C)C)nnc2-c2ccccc2F)cc1 9466856 NIVBLKSKNMNHLV-UHFFFAOYSA-N 427.505 3.708 0 40 IHAB COc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3OC)n2-n2cccc2)cc1 9737963 AFNAWZGVIRFDNA-UHFFFAOYSA-N 449.536 3.730 0 40 IHAB COc1cccc(CNC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)ccc2C)c1 9950077 ZGTKVXJDOSRIPH-UHFFFAOYSA-N 428.485 3.874 0 40 IHAB O=C(Nc1ccccc1F)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 9974405 WHIWKWBNCOLOSY-CYBMUJFWSA-N 441.322 3.628 0 40 IHAB COc1ccc(C(=O)CSc2nnc(CCC(=O)Nc3ccccc3F)n2C)cc1 10076622 FIZWWOXVRSLICE-UHFFFAOYSA-N 428.489 3.509 0 40 IHAB CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 10707345 SZCOIZBXEAQOAC-UHFFFAOYSA-N 439.581 3.805 0 40 IHAB COc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1S(=O)(=O)NC(C)C 11430239 PRZHHZCOURLQGN-UHFFFAOYSA-N 431.341 3.619 0 40 IHAB COc1ccc(CCC(=O)N[C@@H](C)c2nc3cc(-c4ccc(OC)cc4)ncn3n2)cc1 12085158 GNNQMACVEFJQDC-INIZCTEOSA-N 431.496 3.619 0 40 IHAB O=C(NC(c1ccccc1)c1ccccc1)c1cc(C2CC2)n([C@H]2CCS(=O)(=O)C2)n1 12229851 YIIITOMNHYKUCP-FQEVSTJZSA-N 435.549 3.640 0 40 IHAB Cc1ccc(N2C(NC3=NC4=Nc5ccccc5C4=N3)=N[C@@]23C(=O)Nc2ccccc23)cc1C 12407277 IXPAHXMTOBNOIM-AREMUKBSSA-N 445.486 3.777 0 40 IHAB COc1ccc(OC)c([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(C(F)(F)F)c2)c1 12564469 ALBVDGQTLRITGL-SFHVURJKSA-N 435.402 3.989 0 40 IHAB Cc1ccc([C@@H](CNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)N2CCOCC2)o1 12623088 CPEHIKNYQCLRDZ-LJQANCHMSA-N 429.517 3.738 0 40 IHAB Cc1ccc(NC(=O)CN(C)CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)cc1 12732615 KLZPXRTZRKEUSJ-UHFFFAOYSA-N 433.556 3.987 0 40 IHAB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1F)NCCc1ccc(F)cc1 12750560 AUQMEUICJAEZBP-UHFFFAOYSA-N 430.476 3.519 0 40 IHAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1cccc(S(=O)(=O)N2CCCC2)c1 13114563 ZOQKMPXYVWSIEW-UHFFFAOYSA-N 428.510 3.765 0 40 IHAB O=C(O)c1cc(S(=O)(=O)Nc2ccccc2Br)ccc1Br 13345379 OPCUJCXEFFZGPE-UHFFFAOYSA-N 435.093 3.711 0 40 IHAB Cc1cc(C)cc(NC(=O)CSC(=S)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c1 13572273 ZUDSMDBWWPASBD-DLBZAZTESA-N 427.595 3.541 0 40 IHAB COc1ccc(OC)c(-c2ccc(N3CCN(C(=O)c4ccccc4Cl)CC3)nn2)c1 13659171 ITISOXFLNBORAS-UHFFFAOYSA-N 438.915 3.777 0 40 IHAB CCNC(=O)c1cc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1OC 13677056 FYGKZWFMIRDECD-UHFFFAOYSA-N 436.839 3.918 0 40 IHAB Cn1c(COc2ccccc2Cl)nnc1Sc1ccc2nnc(C(F)(F)F)n2n1 14283472 PDWDIEGIJHIZSK-UHFFFAOYSA-N 441.826 3.655 0 40 IHAB COc1ccc(OC)c(N2CC(=O)N(c3ccccc3OC)[C@H](c3ccccc3)C2=O)c1 15412816 VNAGYVVNBJVYDY-XMMPIXPASA-N 432.476 3.834 0 40 IHAB COc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1S(=O)(=O)N1CCCCCC1 15649169 BEJNGKDHDMTGPL-MRXNPFEDSA-N 434.533 3.890 0 40 IHAB O=C(COc1ccc2oc3c(c2c1)CCCC3)NCC(=O)Nc1ccc(F)c(F)c1F 16003136 YNVQZXXDOYDUKJ-UHFFFAOYSA-N 432.398 3.863 0 40 IHAB COc1cc2ccccc2cc1C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 16025014 NIXBPAKKCLHGCO-UHFFFAOYSA-N 434.477 3.692 0 40 IHAB CCc1cc(I)ccc1NC(=S)NC(=O)c1ccc(OC)cc1 16161298 KUIZFJLALKBXLU-UHFFFAOYSA-N 440.306 3.989 0 40 IHAB Cc1cc(-c2cnc3cc(C)nn3c2[C@@H]2CCCN(CC(=O)N3CCCC[C@@H]3C)C2)on1 19124140 NVPJGCQMTSASER-RBUKOAKNSA-N 436.560 3.582 0 40 IHAB COc1ccc(OCC(=O)N2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4nc(C)cc4N3)C2)cc1 19127936 VQBBGHWCNHQUFA-ZYSHUDEJSA-N 434.487 3.508 0 40 IHAB Cc1cc(C(=O)[C@@H]([C@H](c2ccccc2)N2CCOCC2)N2CCOCC2)ccc1Cl 19366134 ZIMMQXHOWGZONK-XZOQPEGZSA-N 428.960 3.605 0 40 IHAB CCN1CCN(C(=O)c2cccc(OC)c2)C[C@@H](Cc2cccc(-c3cccnc3)c2)C1=O 19527556 KHDVUDSCQFXPPI-XMMPIXPASA-N 443.547 3.920 0 40 IHAB COc1ccc(Cn2nnnc2[C@@H](c2cccs2)N2CCN(c3ccccc3)CC2)cc1 19556170 OVCZPKQZQWRAGV-HSZRJFAPSA-N 446.580 3.703 0 40 IHAB CC[C@H](c1ccc(F)cc1)N(C)C(=O)c1ccc(C2CCN(S(C)(=O)=O)CC2)nc1 19708142 OFAORHBSAYIVGZ-OAQYLSRUSA-N 433.549 3.583 0 40 IHAB CC[C@@H](c1ccc(F)cc1)N(C)C(=O)c1ccc(=O)n(CC(=O)N(C)c2ccccc2)c1 19751139 SNLUEQUFWOZQBH-QFIPXVFZSA-N 435.499 3.874 0 40 IHAB Cc1ncc(C(=O)N2CCCC2)c(CC2CCN(C(=O)c3cccc4ncccc34)CC2)n1 19756770 CYZWVHYTQLAUBM-UHFFFAOYSA-N 443.551 3.664 0 40 IHAB O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl)Nc1ccc(F)c(F)c1 20022904 XGOGWDJTUFGCME-UHFFFAOYSA-N 444.887 3.810 0 40 IHAB CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(C(=O)NCc2ccc(F)cc2)cc1 20049988 OQQLQOFZISPJDP-UHFFFAOYSA-N 430.476 3.861 0 40 IHAB O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 20405026 PBRFPBBDKGSSEN-UHFFFAOYSA-N 440.274 3.918 0 40 IHAB CCSc1nnc(NC(=O)CSc2nc3c([nH]c4ccccc43)c(=O)n2CC)s1 20605377 YFUBFBKGUOPUTF-UHFFFAOYSA-N 446.583 3.592 0 40 IHAB COc1ccc([C@@H]2CSCCN2C(=O)COc2ccc3c(C)cc(=O)oc3c2)cc1 20744662 BJPRUUFYBYLISZ-FQEVSTJZSA-N 425.506 3.806 0 40 IHAB biogenic CCOC(=O)Cc1csc(NC(=O)[C@@H](NC(=O)c2ccc(Cl)cc2)[C@@H](C)CC)n1 22282552 RBYCCXYIVDCOIC-SJCJKPOMSA-N 437.949 3.685 0 40 IHAB CCOc1ccc2nc(N(CCN3CCOCC3)C(=O)Cc3ccc(F)cc3)sc2c1 22998485 ZTFUDUUPAJOGHA-UHFFFAOYSA-N 443.544 3.742 0 40 IHAB CC(C)n1ncc2c(C(=O)Nc3ccc(CN4C(=O)CCC4=O)cc3)cc(C3CC3)nc21 23054599 NLHFKTBIZPXHKH-UHFFFAOYSA-N 431.496 3.791 0 40 IHAB O=C(Nc1ccccc1)[C@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 26851626 PHGWNIYLGMQIHQ-OLKYXYMISA-N 435.483 3.841 0 40 IHAB COc1ccc(-c2nsc(NC(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1OC 27664647 AELSEWMMADWPHW-UHFFFAOYSA-N 431.470 3.500 0 40 IHAB COc1ccccc1-c1nc(COC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)cs1 30621811 PNESGIZFELPZHS-UHFFFAOYSA-N 433.489 3.832 0 40 IHAB O=C(C1=Cc2cc(Br)ccc2OC1)N1CCC[C@H](c2nnc3ccccn23)C1 32906606 XYDBJTJOIPFCAU-AWEZNQCLSA-N 439.313 3.674 0 40 IHAB CN(C[C@@H]1COc2ccccc2O1)C(=O)Cn1c(COc2ccccc2)nc2ccccc21 32966798 PZOUTNIKEGZQQT-HXUWFJFHSA-N 443.503 3.914 0 40 IHAB CC[C@H](C)NC(=O)CCn1c(=O)c2ccccc2n2c(SCc3ccccc3C)nnc12 33292032 FTFXVJDWUNAUEI-KRWDZBQOSA-N 449.580 3.950 0 40 IHAB O=C(c1nnn(-c2ccccc2Cl)c1-c1cccnc1)N1CCN(c2ccccc2)CC1 38487610 OTNRNTYLVUOPKF-UHFFFAOYSA-N 444.926 3.945 0 40 IHAB O=C(Cc1csc(NC(=O)c2ccsc2)n1)NC1CCN(Cc2ccccc2)CC1 38575663 YFZVNGZWXWATQT-UHFFFAOYSA-N 440.594 3.780 0 40 IHAB Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)Nc1ccc(N2CCOCC2)nc1 40119814 LBYYVVJDRJHQNO-UHFFFAOYSA-N 425.920 3.555 0 40 IHAB CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cnn(C)c1)N(C)C 48309436 RSTMJSFSHLABPE-SFHVURJKSA-N 433.405 3.504 0 40 IHAB CCc1cccc(-n2cc(C(=O)N3CCC(NC(=O)c4ccc(Cl)cc4)CC3)nn2)c1 49406433 APFILSUJPVLYRV-UHFFFAOYSA-N 437.931 3.518 0 40 IHAB COc1cc(OC)c([C@@H]2CC(=O)N(c3ccc(F)cc3)c3c2sc(=O)n3C)cc1OC 49547004 DTNQXHIWTFGBTD-HNNXBMFYSA-N 444.484 3.812 0 40 IHAB COc1ccc(CNC(=O)c2ccc(CS(=O)(=O)c3ccc(Cl)cc3)o2)c(OC)c1 51317304 NQBFGEYJEBJKOM-UHFFFAOYSA-N 449.912 3.854 0 40 IHAB COc1ccc(C(=O)NC(=S)NCc2ccc(-c3nc4ncccc4o3)cc2)c(OC)c1 57328377 JIMKMAGEFULRFI-UHFFFAOYSA-N 448.504 3.712 0 40 IHAB Cc1ccc2c(c1)N(S(C)(=O)=O)CC[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)O2 64988672 VMQIOOBDKJWWNI-QGZVFWFLSA-N 428.432 3.570 0 40 IHAB Cc1nc(-c2cccc(Cl)c2)n(CC(=O)Nc2ccc3c(c2)CCC3)c(=O)c1CCO 67316557 IECKFUFJTLBUGX-UHFFFAOYSA-N 437.927 3.534 0 40 IHAB CC(C)(C)c1ccc(C(=O)Nc2ccc(-n3nnc(C(=O)NCC(F)(F)F)n3)cc2)cc1 71004566 HCURNOMWSDJLOL-UHFFFAOYSA-N 446.433 3.504 0 40 IHAB COc1ccc([C@H](C)NC(=O)c2cn(-c3ccc(-c4nc(C5CC5)no4)cn3)cn2)cc1 71768305 ZRWWABDMZQJEKC-AWEZNQCLSA-N 430.468 3.694 0 40 IHAB Cc1nc(=O)c2cc(Cl)ccc2n1C1=CCN(C(=O)c2[nH]nc3c2C[C@H](C)CC3)CC1 72348306 HBXWGJRKEUKCRZ-CYBMUJFWSA-N 437.931 3.593 0 40 IHAB O=C(NCCc1nc2c(c(C(F)(F)F)n1)CCCC2)C1(c2ccccc2)CCOCC1 77101222 PJHLSSWASMZXGH-UHFFFAOYSA-N 433.474 3.781 0 40 IHAB CC[C@H](C(=O)NCCN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O)c1ccccc1 89947866 IETCMJLRSHRBQN-NNIWKIFQSA-N 438.505 3.762 0 40 IHAB CC(=O)c1ccc(OCCCC(=O)N[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)cc1 95454148 LOXKOBIOQGWFER-NFBKMPQASA-N 428.916 3.790 0 40 IHAB COc1ccc2c(c1)O[C@]1(C)C[C@@H]2[C@H](S(=O)(=O)c2ccc(C(C)(C)C)cc2)C(=O)N1 100894882 PGXHVZQBJKTZML-GREBRCKQSA-N 429.538 3.547 0 40 IHAB CCOC(=O)C(=CNc1nc(-c2ccc(Br)cc2)cs1)C(=O)OCC 100948034 HVFUPXCDRVBHJH-UHFFFAOYSA-N 425.304 3.995 0 40 IHAB C[C@@H](Oc1ccc(C(=O)NCCN2CCN(C)C[C@H]2c2ccccc2)cn1)c1ccccc1 106627588 XAQUWSHPQWWRIG-BWKNWUBXSA-N 444.579 3.940 0 40 IHAB CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 108521230 ACYAAMZDIOLPGK-UAFMIMERSA-N 437.293 3.554 0 40 IHAB O=C(NCc1ccc(C(=O)c2ccco2)s1)C(=O)Nc1ccc(OC(F)(F)F)cc1 206680462 PUEAETJINSJSIG-UHFFFAOYSA-N 438.383 3.726 0 40 IHAB Cc1cc(=O)[nH]c2ccc(S(=O)(=O)CC(=O)Nc3ccc(Cl)cc3Cl)cc12 217433866 KJOPXYQYTNXRHH-UHFFFAOYSA-N 425.293 3.556 0 40 IHAB CCOc1ccc(CCCNC(=O)[C@H](CC)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 219115503 HGRACUUYCVAGAA-NRFANRHFSA-N 436.549 3.518 0 40 IHAB CCOc1ccc(CNC(=O)[C@H](CC)N(c2cccc(C)c2)S(C)(=O)=O)cc1OCC 220514623 AKGOEKFOFCPATH-FQEVSTJZSA-N 448.585 3.653 0 40 IHAB CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1cc(C)c(Br)c(C)c1 222429364 SYFPHYSNABLVCN-KRWDZBQOSA-N 447.373 3.916 0 40 IHAB COc1cccc(N(CCCC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)c1 222595955 RADZTBGZQGLPCU-HXUWFJFHSA-N 446.569 3.660 0 40 IHAB CN(C)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cn1 223240002 OJIUYWXRKHTAHU-RTWAWAEBSA-N 441.004 3.845 0 40 IHAB 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O=C1CCC(=O)N1c1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 12200287 DNMVTRUWTPFJIO-UHFFFAOYSA-N 432.807 3.813 0 40 IHAB CCc1cc(C(F)(F)F)n2nc([C@H]3CCCN(C(=O)Cn4nc(C)c(C)c4C)C3)cc2n1 12257568 WLCPYKURLSBJIU-INIZCTEOSA-N 448.493 3.838 0 40 IHAB COc1ccccc1[C@@H](C)NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12 12516866 WCXKNEUMTLDELG-OAHLLOKOSA-N 427.526 3.667 0 40 IHAB COCCn1c(SCC(=O)Nc2ccsc2C(=O)OC)nc2cc(Cl)ccc21 12525208 JMLUJXJPDMLIDC-UHFFFAOYSA-N 439.946 3.915 0 40 IHAB C[C@H](Sc1nnc(-c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)n1C)C(=O)N1CCNC1=O 12600950 ZHDKBVFURPBVHU-GXTWGEPZSA-N 447.630 3.727 0 40 IHAB CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)COc2ccc(Cl)cc2Cl)c1 12633605 GZWUOIPJGHKZSD-UHFFFAOYSA-N 437.732 3.915 0 40 IHAB O=C(NC1CC1)c1ccc(CN(C2CC2)S(=O)(=O)c2ccccc2Br)cc1 12872604 OEYGVLPUKDIHDQ-UHFFFAOYSA-N 449.370 3.695 0 40 IHAB CCOc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2csnn2)C2CC2)cc1 12873291 NFBCAVSKULUEGS-HXUWFJFHSA-N 428.558 3.732 0 40 IHAB O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CC(=O)N1CCC[C@H]2CCCC[C@H]21 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CCOc1ccc([C@H]2C/C(=C3/C(=O)N(c4ccc(Cl)cc4)C(=O)N=C3O)NN2)cc1 16995065 REFPMPZBRONEBK-OTZFSBHDSA-N 426.860 3.655 0 40 IHAB Cc1ccc(C(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CN(CC2CCCCC2)CC3)cc1 19135331 NPXDIBNZQRZKMQ-HSZRJFAPSA-N 434.584 3.994 0 40 IHAB CCCN1CCN(C(=O)c2ccn(C)n2)C[C@H](Cc2ccc(-c3cccs3)cc2)C1=O 19502886 VYTIBTVLHDLOLQ-FQEVSTJZSA-N 436.581 3.702 0 40 IHAB CCOc1ccc(CN2CCC[C@](Cc3ccccc3-c3cncnc3)(C(N)=O)C2)cc1 19533223 DBEFMNHBMYTTBG-AREMUKBSSA-N 430.552 3.853 0 40 IHAB O=C(CCCOc1cccc2cccnc12)N1CCO[C@H](c2ccc(-c3cn[nH]c3)cn2)C1 19692893 YAYXGDQXKONKLT-QHCPKHFHSA-N 443.507 3.779 0 40 IHAB Cc1nc([C@H]2CCCCN2Cc2ccc(OC(C)C)c(Cn3cccn3)c2)ncc1C(N)=O 19764579 ZMUIJVPRQIGUHI-JOCHJYFZSA-N 448.571 3.643 0 40 IHAB CCn1nc(C)c(CN2CCC[C@@H](c3ncc(C(=O)NCc4ccccc4)c(C)n3)C2)c1C 19765400 PMNZKYMWZRLPPR-JOCHJYFZSA-N 446.599 3.928 0 40 IHAB CCOC(=O)[C@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@H]1c1ccccc1Cl 19818456 ZHBWZUNVRAOTQU-UXHICEINSA-N 441.915 3.842 0 40 IHAB CCC(=O)Nc1ccc(C)cc1-c1nnc(SCC(=O)Nc2ccc(C)cc2)nc1O 21882745 KSGWJYUFUCZGMN-UHFFFAOYSA-N 437.525 3.940 0 40 IHAB c1ccc2c(c1)nnn2[C@H]([C@H](N1CCCCC1)n1nnc2ccccc21)N1CCCCC1 22035538 SQABCDAIPVEETJ-DNQXCXABSA-N 430.560 3.845 0 40 IHAB COc1ccc([C@H](C)NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc1 22429099 OOXKKJPHAADOFX-KRWDZBQOSA-N 442.512 3.907 0 40 IHAB Cc1cc(C)c([C@H](C)NC(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc2)cc1C 22536779 BQGOHWGQQOFPRW-IBGZPJMESA-N 432.586 3.802 0 40 IHAB C[C@@H](NC(=O)COc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(F)cc1 22537127 OEUKGAPHYZDOEE-QGZVFWFLSA-N 434.533 3.647 0 40 IHAB Cc1cc(C)c([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2C)cc1C 22537237 YANDMJVLRUGHEG-HXUWFJFHSA-N 444.597 3.961 0 40 IHAB COc1ccc(OCCN(C)C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 23648705 DRNVREWMKWTLCT-UHFFFAOYSA-N 440.521 3.647 0 40 IHAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)c1ccc(S(=O)(=O)N2CCOCC2)cn1 23935004 AWKHUXFPBFPLSJ-UHFFFAOYSA-N 447.944 3.652 0 40 IHAB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)Nc2cccc(OC(C)C)c2)CC1 24611413 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Cc1cccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2ccc3c(c2)OCCO3)c1 38652931 WVTXLFVLVRVCRN-UHFFFAOYSA-N 444.534 3.905 0 40 IHAB CN(C)[C@H](CNC(=O)Nc1cc2c(cc1Br)OCCO2)c1cccs1 40103731 BIPXLNYQWCMDTG-CYBMUJFWSA-N 426.336 3.706 0 40 IHAB CC[C@H](NC(=O)[C@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1)c1ccc(C)cc1 44936000 CPDODKYCBWKWJJ-FXAWDEMLSA-N 436.961 3.833 0 40 IHAB CCc1nnc2c(S(=O)(=O)N(Cc3cccc(OC)c3)c3ccc(F)cc3)cccn12 49404934 ZBBGNINJCKRTJD-UHFFFAOYSA-N 440.500 3.835 0 40 IHAB O=C1C[C@@H](N2CCN(/C=C/c3ccccc3)CC2)C(=O)N1c1cc(Cl)cc(Cl)c1 51364633 NGDBTUSTPWCBRK-ROUKRRSUSA-N 430.335 3.914 0 40 IHAB Cc1cc(-n2c(=O)c3sccc3n(CC(=O)Nc3cccc(C)c3C)c2=O)ccc1F 57494590 ZPSONYQDULAVQU-UHFFFAOYSA-N 437.496 3.917 0 40 IHAB CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1ccnc(OCC(F)(F)F)c1 58218330 RBXHXPSVXAVVTP-KXBFYZLASA-N 449.473 3.639 0 40 IHAB COc1ccc([C@H]2CCCCCN2C(=O)Cc2c(C)nc(-c3cccnc3)[nH]c2=O)cc1 71851805 PIMJEMOEFWEGAK-JOCHJYFZSA-N 432.524 3.835 0 40 IHAB O=C(COC(=O)c1ccc(Br)cc1)NCc1ccc(Br)cc1 72333826 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CCCCCNC(=O)c1c(N)n(-c2ccc(C(=O)OC)cc2)c2nc3ccccc3nc12 2312148 DODVACRMEOWOGY-UHFFFAOYSA-N 431.496 3.863 0 40 IHAB COCCCn1c(N)c(C(=O)N[C@@H](C)CCc2ccccc2)c2nc3ccccc3nc21 2441600 UACBERDWIUBHPY-KRWDZBQOSA-N 431.540 3.954 0 40 IHAB CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccs3)o2)cc1 2494176 IPPXPALMHWXJGZ-UHFFFAOYSA-N 434.543 3.861 0 40 IHAB CCOC(=O)[C@@H](C)Oc1cccc2c(=O)n(CC(=O)Nc3cccc(Cl)c3)ccc12 2712296 VJVMRAAHXZDJPN-CQSZACIVSA-N 428.872 3.624 0 40 IHAB COc1ccc(CCNC(=O)c2ccccc2NS(=O)(=O)c2c(F)cccc2F)cc1 3348330 CWGWOYDJYVLXPQ-UHFFFAOYSA-N 446.475 3.747 0 40 IHAB CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccncc2)n1CCCOC 4169277 PQEJXJPUGKGCIH-UHFFFAOYSA-N 425.558 3.978 0 40 IHAB Cc1cc2cc(CN(Cc3cccnc3)C(=S)NC[C@@H]3CCCO3)c(=O)[nH]c2cc1C 6194729 YRMRILJNNVHHOG-NRFANRHFSA-N 436.581 3.596 0 40 IHAB O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl)N1CCCCCC1 6224644 UCUHPZMIARLYRF-UHFFFAOYSA-N 428.982 3.732 0 40 IHAB O=C(CCCC(=O)NCCOc1ccccc1Cl)NCCOc1ccccc1Cl 8398807 CNQCUOPULLWRPR-UHFFFAOYSA-N 439.339 3.854 0 40 IHAB Cc1cccc(C)c1NC(=O)C1(NC(=O)CN2C(=O)c3ccccc3C2=O)CCC(C)CC1 8435266 GAKODUSNHGRFHZ-UHFFFAOYSA-N 447.535 3.603 0 40 IHAB COc1cc([C@H]2OC[C@H]3[C@@H](c4cc(OC)c5c(c4)OCO5)OC[C@@H]23)cc(OC)c1OC 8655650 DHWUVPPRBIJJKS-MXKXFIQMSA-N 430.453 3.525 0 40 IHAB in-man Cc1cc(C)n(C[C@H](O)CN(c2cccc3ccccc23)S(=O)(=O)c2ccccc2)n1 8721956 TXALKHFOCDFKLB-NRFANRHFSA-N 435.549 3.910 0 40 IHAB COc1ccc(CN2C(=O)[C@@](O)([C@@H](C)C(=O)c3ccccc3)c3ccccc32)cc1OC 8919043 RWASCRWLVRICNW-MRDQGFSESA-N 431.488 3.957 0 40 IHAB Cc1ccc(Nc2nc3c(c(=O)n(Cc4ccc(Cl)c(Cl)c4)c(=O)n3C)n2C)cc1 8926369 FGPLTIYWFGGDBU-UHFFFAOYSA-N 444.322 3.841 0 40 IHAB CCOc1cc(C=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1 9232129 GPYXATQNSIFLSZ-UHFFFAOYSA-N 443.212 3.659 0 40 IHAB COCCn1c(C)cc(C(=O)CN2C(=O)N[C@@](C)(c3cccc4ccccc34)C2=O)c1C 9512379 WINTVFHATYORFY-VWLOTQADSA-N 433.508 3.554 0 40 IHAB COc1cccc(-n2c(SCC(=O)Nc3ccccc3C)nc3c(c2=O)SCC3)c1 9602949 DXGXRCXCTJHSSW-UHFFFAOYSA-N 439.562 3.929 0 40 IHAB 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O=C(C[C@@](O)(c1ccccc1)C(F)(F)F)N1CCN(Cc2nc3ccccc3s2)CC1 14241787 MHTJOOIMMMBFLM-OAQYLSRUSA-N 449.498 3.781 0 40 IHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 14595130 OVLSNBMIEWCUCP-MRXNPFEDSA-N 448.475 3.635 0 40 IHAB Cc1cc(S(=O)(=O)N(C)C)cc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1C 14870098 IYTJVZYQKLXTMQ-UHFFFAOYSA-N 437.370 3.661 0 40 IHAB COc1ccc(C(=O)NC(=S)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 17097481 GQYGTIIYRKPOKE-UHFFFAOYSA-N 431.473 3.623 0 40 IHAB O=C(CCC(=O)N1CCN(c2ccccn2)CC1)Nc1ccc(OCc2ccccc2)cc1 18179975 QZSBWCXPZIBNDC-UHFFFAOYSA-N 444.535 3.728 0 40 IHAB Cc1nnc2sc(-c3ccc(CNC(=O)c4ccccc4Br)cc3)nn12 18210581 FRVRLNUWGHCJMB-UHFFFAOYSA-N 428.315 3.854 0 40 IHAB O=C(C1CCC1)N1C[C@@H](c2ccsc2)[C@@H]2CN(S(=O)(=O)c3ccccc3)CC[C@@H]21 19373689 DPYBUBSNZRWCMC-ACRUOGEOSA-N 430.595 3.553 0 40 IHAB CCOC(=O)[C@]1(Cc2cc(-c3ccccc3C)no2)CCCN(C(=O)[C@@H]2CCCO2)C1 19529928 QHPNOKLNXIJLCH-URXFXBBRSA-N 426.513 3.543 0 40 IHAB CCOc1ncccc1C(=O)N1CCCC[C@@H]1c1nc(N(C)C)ncc1-c1ccncc1 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O=C(NC[C@H](c1ccco1)N1CCOCC1)c1cc(-c2ccc(Br)cc2)on1 28296046 MZOKBBDUNIWUCR-QGZVFWFLSA-N 446.301 3.500 0 40 IHAB O=C(CC(c1ccccc1)c1ccccc1)N1CCN(CC(=O)N2CCCCCC2)CC1 28325067 FBNLEXVZLZIMHW-UHFFFAOYSA-N 433.596 3.755 0 40 IHAB O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1cccc(NC(=O)c2ccncc2)c1 32450824 AEFOYVQHDVKJPD-UHFFFAOYSA-N 446.551 3.995 0 40 IHAB CNS(=O)(=O)c1cc(C(=O)OCc2cc3ccc(C)c(C)c3nc2Cl)ccc1OC 32671821 LDSSRYYVOODDMT-UHFFFAOYSA-N 448.928 3.779 0 40 IHAB O=S(=O)(c1ccc(C2CCCCC2)cc1)N1CCN(Cn2ncsc2=S)CC1 32906178 JAZISJOSZKNMSS-UHFFFAOYSA-N 438.644 3.686 0 40 IHAB COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1ccc(OC[C@@H]2CCCO2)cc1 32966589 OFIBKZMTSJEUHM-SFHVURJKSA-N 432.904 3.617 0 40 IHAB Cc1sc(NC(=O)CN(C(=O)CCc2ccccc2)C2CCCC2)c(C(N)=O)c1C 35292406 BPXZIPBDEGUVST-UHFFFAOYSA-N 427.570 3.806 0 40 IHAB COc1ccccc1CN(C)C(=O)[C@@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 38754887 IZXQREOGSGBJSP-CYBMUJFWSA-N 445.368 3.815 0 40 IHAB C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NCc1nncn1-c1ccccc1 40088216 YNYANJFMAZLKIZ-GFCCVEGCSA-N 435.709 3.767 0 40 IHAB Cc1cc(C)n(Cc2cccc(CNC(=O)[C@@H]3CC(=O)N(c4cccc(C)c4C)C3)c2)n1 40139395 TXPKYFKBDXKLDS-HSZRJFAPSA-N 430.552 3.834 0 40 IHAB C[C@H]1C[C@@H](C)CN(c2cc3c(cc2F)c(=O)c(S(=O)(=O)c2ccccc2)cn3C)C1 49421539 JXJWNUYMBBNJTQ-IYBDPMFKSA-N 428.529 3.993 0 40 IHAB CC1(C)Cc2cccc(OCC(=O)NCC3CCN(C(=O)Oc4ccccc4)CC3)c2O1 49523058 SYIAORACLIZETB-UHFFFAOYSA-N 438.524 3.806 0 40 IHAB Cc1ccc(NC(=O)Cn2c(=O)n(-c3ccccc3)c(=O)c3sccc32)cc1Cl 57489520 UDKSOXGDCYQVGQ-UHFFFAOYSA-N 425.897 3.814 0 40 IHAB Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(NC(=O)CCNC(=O)C(C)(C)C)cc2Cl)n1 60098338 ZLJJBKHFHWTSCE-HNNXBMFYSA-N 447.967 3.844 0 40 IHAB Cc1ccc(C)c(NC(=O)c2nnn(CC(=O)Nc3ccccc3Br)c2C)c1 67322349 JSLFVYREDKHVNP-UHFFFAOYSA-N 442.317 3.857 0 40 IHAB CCOC(=O)[C@H](CCC1CCCCC1)N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21 67665434 DUGIBDLRAMZMEA-WTNASJBWSA-N 436.593 3.501 0 40 IHAB in-vitro CS(=O)(=O)c1ccc(N2CCC[C@@H]2[C@@H]2CCCc3ccccc32)c(S(C)(=O)=O)c1 72313505 WLCYLHFBMBHPAQ-WOJBJXKFSA-N 433.595 3.583 0 40 IHAB O=C(NCCCOc1cccc2cccnc12)c1ccc(CS(=O)(=O)C(F)F)cc1 79050972 SBODBKKZMNYXRF-UHFFFAOYSA-N 434.464 3.571 0 40 IHAB O=C(Cc1c[nH]c2cccc(Br)c12)NS(=O)(=O)c1cccc(Cl)c1 89774677 ODESDDAASACTME-UHFFFAOYSA-N 427.707 3.631 0 40 IHAB Cc1ccc(CNC[C@H]2O[C@H](Cc3cc(CN(C)Cc4ccccc4)on3)CC[C@@H]2O)cc1 96268992 FMIHEGIKJSDLIF-DOEKTCAHSA-N 449.595 3.856 0 40 IHAB biogenic,in-vitro CCNC(=O)COc1ccc(/C=C2/N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cc1OC 97987497 QYCMEVVNEYUTLB-CPNJWEJPSA-N 436.508 3.852 0 40 IHAB CC(=O)Oc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(F)cc4)[C@H]3C2=O)cc1 100662904 UVAZWQPBCIEZCG-ZLNRFVROSA-N 446.434 3.802 0 40 IHAB CCCCN(C)S(=O)(=O)c1ccc(C(=O)/N=c2/sc3cc(F)ccc3n2C)cc1 100861247 KVVISXJNIQBRJF-LSDHQDQOSA-N 435.546 3.541 0 40 IHAB O=C(COC(=O)c1n[nH]c(=O)c2ccccc12)Nc1cc(Cl)c(Cl)cc1Cl 104926438 FSPCAFVVTLWHHY-UHFFFAOYSA-N 426.643 3.679 0 40 IHAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(OC)cc1 222483412 GETFYQYCTLBFRG-WZONZLPQSA-N 426.557 3.968 0 40 IHAB COc1ccc(NC(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)c(OC)c1 222528187 DXVBBTQDKNKTME-UHFFFAOYSA-N 426.494 3.781 0 40 IHAB COc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN(C)C)c1 223237471 FLLGAMXOQKULOM-DHIUTWEWSA-N 435.597 3.805 0 40 IHAB Cc1ccc(C)c(N(CC(=O)NCCOc2ccccc2C(C)(C)C)S(C)(=O)=O)c1 223677939 ANAQGHANNRIONV-UHFFFAOYSA-N 432.586 3.562 0 40 IHAB Cc1ccc(N(CCCC(=O)NCCOc2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 224169865 ZCEAEFLGODDECE-UHFFFAOYSA-N 438.977 3.698 0 40 IHAB CCOc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1COc1cccc(C)c1 224386679 PRXAWFZQTNAYQO-UHFFFAOYSA-N 440.521 3.872 0 40 IHAB COc1ccc(CC(=O)N(Cc2cccc(Br)c2)[C@H](C)C(=O)NC(C)C)cc1 224699380 RAUAWYNMNZEQLK-MRXNPFEDSA-N 447.373 3.942 0 40 IHAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1OC 225750117 ISKDNLKOQYVTRG-GHTZIAJQSA-N 442.556 3.805 0 40 IHAB O=C(COc1ccc(Cl)cc1Cl)N1CCC(n2c(O)nc3ccccc3c2=O)CC1 238830279 FTCQHCHBEXFKHP-UHFFFAOYSA-N 448.306 3.651 0 40 IHAB CCN1CCN(CC(=O)NC2CCCCC2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O 257205794 BAOLORMYACKRSX-QHCPKHFHSA-N 448.611 3.520 0 40 IHAB CN(C)C(=O)c1sc2nccnc2c1[C@H]1CCN(C(=O)c2cnc3ccccc3c2)C1 257248424 JDQULBYUXOSWSC-HNNXBMFYSA-N 431.521 3.571 0 40 IHAB O=C(NC[C@H]1CC[C@H](c2cc(C(=O)N3CCOCC3)c3ccccc3n2)CC1)C1CCC1 257259564 KYXWNHGEFQEMOI-WGSAOQKQSA-N 435.568 3.897 0 40 IHAB O=C(C(c1ccccc1)c1ccccc1)N1CCOC[C@@H](Cc2ccc3nccn3n2)C1 257276436 NTTQJIOIXIBHHU-FQEVSTJZSA-N 426.520 3.579 0 40 IHAB Cc1cc(-c2ccccc2)cc([C@H]2CCCN(C(=O)Cc3ccc(S(N)(=O)=O)cc3)C2)n1 257321060 VZXPBZZFWHHGPR-NRFANRHFSA-N 449.576 3.653 0 40 IHAB O=C(c1ccnc(N2CCOCC2)c1)N1CCC[C@@H](c2nccnc2Oc2ccccc2)C1 257340653 ZHBFCDHHTAOQNZ-HXUWFJFHSA-N 445.523 3.520 0 40 IHAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](c2ccccc2)c2cccc(C)c2)cc1 260808117 FRYNGCJCFYGQSC-XMMPIXPASA-N 438.549 3.530 0 40 IHAB O=C1[C@@H]2[C@H](C(=O)N1C[C@H]1CCCO1)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408649687 DRPRLNNGIYDTSZ-XEJRDZBFSA-N 428.315 3.759 0 40 IHAB Cc1ccc(C)c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)c2)c1 408668881 VTGKVDFWETXOID-BSWISCRUSA-N 446.503 3.634 0 40 IHAB CC(C)Oc1ccccc1CNC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 408707148 HFTWIZYQLISOJR-INIZCTEOSA-N 431.330 3.906 0 40 IHAB CCOC(=O)C1=C(C)N=c2s/c(=C/C=C/c3ccccc3)c(=O)n2[C@H]1c1ccc(F)cc1 408812254 LKZPCUPVADUTJS-YRHDEOCCSA-N 448.519 3.603 0 40 IHAB CCN(CC)c1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccccc3)[C@@H]2c2ccccc2)cc1 409052984 FYMAEJZWVNEZKR-DQEYMECFSA-O 441.555 3.549 0 40 IHAB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)Nc1ccc(F)cc1F 409055701 AMBQSTYAPRMWQK-UHFFFAOYSA-N 434.439 3.934 0 40 IHAB CSc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(C(=O)O)cc3)C2=O)c1 409154541 KIICXLQWCBNZGN-SXGWCWSVSA-N 428.491 3.782 0 40 IHAB COC(=O)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc1 409233090 KAAVSPGZFHNKDV-MHWRWJLKSA-N 430.869 3.802 0 40 IHAB COc1ccc(OC)c(-c2cc(C(=O)NC[C@H](O)c3ccc(-c4ccco4)cc3)n(C)n2)c1 585147990 LKOHNDDWQUCALK-QFIPXVFZSA-N 447.491 3.828 0 40 IHAB CCOc1ccc(-c2cc(C(=O)N3CC[C@H](O)[C@@H](Oc4ccccc4F)CC3)n[nH]2)cc1 585267259 QPRQTWCSPYZRPX-GMAHTHKFSA-N 439.487 3.659 0 40 IHAB Cc1cccc2c1NCC[C@H]1CC[C@@H](CN(C(=O)CCc3nc(C(C)C)no3)C2)N1C 643574153 FUWQIWCHFITVIH-UXHICEINSA-N 425.577 3.741 0 40 IHAB Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc3onc(CN4CCOCC4)c3c2)c1C 1775970691 BHEQNXRXXWZKQI-UHFFFAOYSA-N 429.542 3.694 0 40 IHAB O=C(c1ccc(Cn2ccnc2)cc1)N1C[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]2C1 1888906523 IKZGMCGUPNNYQH-KDURUIRLSA-N 441.457 3.554 0 40 IHAB COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(Cl)cc1Cl 814800 FPJFKBOOJADJIL-KRWDZBQOSA-N 431.283 3.916 0 40 IHAB O=C(CSc1nnc(-c2cccnc2)n1CCc1ccccc1)NCc1ccccc1 923642 LYGRVKXVMWSVTP-UHFFFAOYSA-N 429.549 3.991 0 40 IHAB Cc1ccc(C)c(N(C(=O)c2csnn2)[C@H](C(=O)NC2CCCC2)c2cccnc2)c1 1357480 LZESCHCBFNZAHT-NRFANRHFSA-N 435.553 3.997 0 40 IHAB Cc1cc(O[C@@H](C)C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c2c3c(c(=O)oc2c1)CCC3 2108411 WMFXLMDQUNVGID-RJYGXOMWSA-N 425.525 3.511 0 40 IHAB CCOc1ccc(NC(=S)NC(=O)C[C@@H]2SC(=O)N(c3ccccc3)C2=O)cc1 2347803 YGHQUGAZSIBXDR-INIZCTEOSA-N 429.523 3.557 0 40 IHAB Cc1cc(O[C@@H](C)C(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc(C)c1Cl 2355623 VPAWLTJPTXDTBZ-PKOBYXMFSA-N 435.973 3.940 0 40 IHAB C[C@@H]1Cc2ccccc2N1C(=O)CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O 2647596 MJKMKJDXOUYAFS-XHCCPWGMSA-N 439.515 3.654 0 40 IHAB O=C(COc1ncnc2scc(-c3ccc(F)cc3)c12)NCc1ccc2c(c1)OCO2 2725923 HIABGISVECJBMF-UHFFFAOYSA-N 437.452 3.921 0 40 IHAB COC[C@H](C)n1c(COc2ccccc2F)nnc1SCC(=O)N(C)c1ccccc1 3303708 PDJVTFVUOBTRGL-INIZCTEOSA-N 444.532 3.959 0 40 IHAB CC1(C)C(=O)Nc2ccccc2N1C(=O)CSc1ncnc2c1cnn2-c1ccccc1 3534478 PASADOHTCICCQW-UHFFFAOYSA-N 444.520 3.672 0 40 IHAB O=C1C2[C@@H](c3cccnc3)N[C@@H](c3cccnc3)C1[C@H](c1cccnc1)N[C@H]2c1cccnc1 4042601 LDJCBJLZNMUUBF-XSJHAFMQSA-N 448.530 3.540 0 40 IHAB Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)NC2CCCC2)c(C)c1 6607179 JDSADIUQCLTECF-UHFFFAOYSA-N 428.598 3.904 0 40 IHAB Cc1ccc(NC(=O)CSc2nc(=O)n(Cc3ccncc3)c3c2CCC3)cc1Cl 8601810 WVPDOZPMBXVIQS-UHFFFAOYSA-N 440.956 3.868 0 40 IHAB O=C(OCc1cc(=O)oc2cc(O)ccc12)c1nn(-c2ccccc2)c(=O)c2ccccc12 8668271 DKHUDBAVOSDBSR-UHFFFAOYSA-N 440.411 3.555 0 40 IHAB CCc1ccc(-c2nn(CC(=O)NCc3ccc(F)cc3)c(=O)c3nc(C)sc23)cc1 8956080 PWAQQDOTWIPXIL-UHFFFAOYSA-N 436.512 3.846 0 40 IHAB COC(=O)c1cc(Nc2ncnc3c2cnn3-c2ccc(Cl)cc2)cc(C(=O)OC)c1 9475180 FNHIOIUSZBJDRM-UHFFFAOYSA-N 437.843 3.786 0 40 IHAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NCc1ccc(Oc3ccc(F)cc3)cc1)C2=O 9579726 WCIGQJOUYMYJNV-GYCJOSAFSA-N 439.487 3.735 0 40 IHAB COc1cc(C(C)=O)ccc1OCC(=O)Nc1nc(-c2ccc(NC(C)=O)cc2)cs1 9665415 ODWVVPYUCJOIMA-UHFFFAOYSA-N 439.493 3.997 0 40 IHAB Cc1cc(C(=O)CN2C(=O)C(=O)N(Cc3cccs3)C2=O)c(C)n1CCc1ccccc1 9780403 BMFQCUIBFNATOI-UHFFFAOYSA-N 449.532 3.583 0 40 IHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O 10338678 FCNUZSRQNDIGMX-ZWKOTPCHSA-N 445.585 3.625 0 40 IHAB Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1ccc(S(=O)(=O)N(C)C(C)C)cc1 10448051 WMCNZJHSUOWLQJ-UHFFFAOYSA-N 429.546 3.602 0 40 IHAB COC(=O)c1ccc(NC(=O)CSc2nnc(COc3ccccc3Cl)o2)cc1 12676968 ADIAOMIROPEJPY-UHFFFAOYSA-N 433.873 3.819 0 40 IHAB CCCn1c(SCCC(=O)NC(=O)NC2CCCC2)nc2sc3c(c2c1=O)CCC3 12751351 PVSZDNBXMVYSMH-UHFFFAOYSA-N 448.614 3.607 0 40 IHAB CCCCCOc1ccccc1NC(=O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]2OC(C)(C)O[C@H]12 12776456 HLGFEKDHPNYQTH-HMPZBHLVSA-N 435.517 3.591 0 40 IHAB biogenic C[C@@H](Sc1nnc(-c2cccs2)n1CCC(=O)O)C(=O)NCCC1=CCCCC1 12778986 QZYUJLDHYCYHNG-CQSZACIVSA-N 434.587 3.969 0 40 IHAB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)C1 12796025 BXBKAKARIQWMFU-OAHLLOKOSA-N 446.573 3.719 0 40 IHAB CCCCc1ccc(N2C(=O)C[C@H](N3CCC(C(=O)Nc4ccccc4O)CC3)C2=O)cc1 12939920 AESDPFVTUWSBQP-QFIPXVFZSA-N 449.551 3.717 0 40 IHAB CCOc1cc(/C=C/C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)ccc1OCc1ccccc1 13030420 XDORPKLHNXXLJU-ZOXUKVPXSA-N 443.565 3.713 0 40 IHAB CC(C)COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC(C)C)[C@H]1c1ccc(Cl)cc1 13598910 PCHLMRSRHSVUTR-SRYPRDQNSA-N 438.948 3.778 0 40 IHAB O=S(=O)(Nc1nc2ccccc2nc1-n1cc[n+](Cc2ccccc2)c1)c1ccccc1 13685493 QZEBMXPFRUPAGU-UHFFFAOYSA-N 442.524 3.557 0 40 IHAB O=C(Nc1ccc(Br)cc1Cl)c1cccc(N2CCCS2(=O)=O)c1 14060874 KJIADUYGLJDRER-UHFFFAOYSA-N 429.723 3.895 0 40 IHAB CC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)c1ccc(C)cc1 14602531 OCCBLNGANSBCJO-QFIPXVFZSA-N 430.570 3.672 0 40 IHAB COC(=O)c1cc(NC(=O)/C=C/c2cccc(OC)c2OC(F)F)cc(C(=O)OC)c1 14797100 ZDLCNNXNXUHKKK-BQYQJAHWSA-N 435.379 3.522 0 40 IHAB O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 14824888 RJXZSIVEMXJLMC-UHFFFAOYSA-N 449.743 3.920 0 40 IHAB COc1cc(/C=C\C(=O)NCc2cc(-c3ccc(F)cc3F)on2)cc(OC)c1OC 16943291 ZVHVIRQYDDQAOO-DAXSKMNVSA-N 430.407 3.975 0 40 IHAB CCN(CC(=O)NC(C)(C)C)C(=O)c1cc(OC)c(OCc2ccccc2)c(OC)c1 16962205 GXVRCLLQRAEJCW-UHFFFAOYSA-N 428.529 3.660 0 40 IHAB CC(=O)Nc1nc(C(=O)Nc2cc(C(F)(F)F)ccc2OC[C@@H]2CCCO2)cs1 19022922 ISGFBBAHKAXCAD-LBPRGKRZSA-N 429.420 3.930 0 40 IHAB CC(C)(C)C(=O)N1CCC[C@@H]1c1nc(O)c2c(n1)CCN(C(=O)CC1CCCCC1)C2 19081359 NSBXEFACTNZODR-LJQANCHMSA-N 428.577 3.747 0 40 IHAB CN(C)C(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CN(C(=O)C2CCCCC2)CCO1 19580590 JOCQHWXIGZYFOF-AREMUKBSSA-N 435.568 3.557 0 40 IHAB CC(=O)N1CCC[C@]1(Cc1cc(-c2ccccc2)no1)C(=O)NCCc1cccc(C)c1 19696598 MCZMPBOOYKCXSF-SANMLTNESA-N 431.536 3.933 0 40 IHAB COc1cccc(CNc2cc(CC3CCN(C(=O)c4cnc(C)cn4)CC3)nc(C)n2)c1 19752158 QBZFMRZEBJSINC-UHFFFAOYSA-N 446.555 3.599 0 40 IHAB O=C(Nc1ccccc1C(F)(F)F)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 20061968 OKJQSZKYZPLFKR-UHFFFAOYSA-N 448.850 3.632 0 40 IHAB C[C@@H](O)CCC(=O)NCCc1nc2ccccc2n1Cc1ccc(Br)cc1 20869081 MGGFAKDGGPBXAU-OAHLLOKOSA-N 430.346 3.667 0 40 IHAB COc1cc(OC)cc(C(=O)Oc2c(CN3CCOCC3)cc(Cl)c3cccnc23)c1 21486784 RPNTXLVUBUVFHD-UHFFFAOYSA-N 442.899 3.957 0 40 IHAB COc1ccc2cc(COC(=O)CNS(=O)(=O)c3ccc(C)c(C)c3)c(Cl)nc2c1 21742488 UEESUPMBCDIAGQ-UHFFFAOYSA-N 448.928 3.535 0 40 IHAB COc1ccccc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1 22382925 JOWZCLJPWHLSKN-UHFFFAOYSA-N 432.448 3.807 0 40 IHAB CC(C)CN(C(=O)CSc1nc2cc(Cl)ccc2s1)[C@@H]1CCS(=O)(=O)C1 23515569 PESKMSBMBMVMFV-CYBMUJFWSA-N 433.020 3.714 0 40 IHAB O=C(CNS(=O)(=O)c1ccc2ccccc2c1)Nc1ccc2c(c1)OC1(CCCC1)O2 24776794 VDVMCZRVWSINRC-UHFFFAOYSA-N 438.505 3.798 0 40 IHAB O[C@H](COCc1ccc2c(c1)OCO2)CSc1nnc(-c2ccccc2F)n1C1CC1 25856553 SNGBJUPTZSHPML-MRXNPFEDSA-N 443.500 3.818 0 40 IHAB C/C=C/c1cc(C(=O)N2CCN(Cc3cc(OC)ccc3OC)CC2)cc(OC)c1OC 29985575 UHVSNASWBYHFLT-VOTSOKGWSA-N 440.540 3.712 0 40 IHAB CN1CCN(c2ccc(C(F)(F)F)cc2NC(=O)c2cc3ccccc3oc2=O)CC1 30254593 OHCLPQYTMKHGCG-UHFFFAOYSA-N 431.414 3.816 0 40 IHAB COCCCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2OC)n2c1nc1ccccc12 32581140 CPAHTPLXOBNYDA-SFHVURJKSA-N 442.903 3.651 0 40 IHAB Cc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)N(Cc1ccc(C(C)C)cc1)C1CC1 40024430 TUTYXMIKYUPOMV-UHFFFAOYSA-N 433.556 3.692 0 40 IHAB O=C(NCc1cccc(COCc2ccccc2)c1)[C@H]1CCCN(C(=O)N2CCCC2)C1 40134210 PBSGOSVFBJDQLQ-DEOSSOPVSA-N 435.568 3.947 0 40 IHAB COc1cc(NC(=O)c2ccccc2-n2cnc3ccccc3c2=O)cc(OC)c1OC 40312479 KGWRWNSBWLSMFA-UHFFFAOYSA-N 431.448 3.664 0 40 IHAB biogenic CCOc1ccc(NC(=O)Cn2c(=O)n(Cc3ccc(C)cc3)c(=O)c3ccccc32)cc1 40478435 MBOYWVUDIDZHPU-UHFFFAOYSA-N 443.503 3.557 0 40 IHAB O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 46699749 URUOHPWQWUIRRE-JOCHJYFZSA-N 434.561 3.993 0 40 IHAB CCCCn1c(SCC(=O)NCc2cccc(OC)c2OC)nc2ccsc2c1=O 57426412 UTSSWWMPURZYDO-UHFFFAOYSA-N 447.582 3.684 0 40 IHAB CCCCn1c(SCC(=O)Nc2ccc(NC(C)=O)cc2)nc2ccsc2c1=O 57426432 UHQLFHSBSXBEDX-UHFFFAOYSA-N 430.555 3.947 0 40 IHAB COc1cc(NC(=O)Cn2c(-c3cccc(Cl)c3)nc(C)cc2=O)cc(OC)c1OC 57526954 UQPQPRPTJPTKDK-UHFFFAOYSA-N 443.887 3.537 0 40 IHAB Cc1noc(C)c1CNS(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 60357495 MDYJDINIYDZPTD-UHFFFAOYSA-N 428.333 3.656 0 40 IHAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)c2cccc(N)c2)cc1 61894656 WTUZUVLFMSBLBZ-QHCPKHFHSA-N 429.476 3.812 0 40 IHAB COc1ccc(OC)c(-c2csc3ncc(C(=O)Nc4ccccc4OC)c(=O)n23)c1 64788068 UHWJPPLGUVYTJB-UHFFFAOYSA-N 437.477 3.701 0 40 IHAB CCOC(=O)C[C@@H](c1ccc(OCCc2ccccc2)cc1)c1oc(CO)cc(=O)c1O 71283108 LPTXTQHLWIDJKE-NRFANRHFSA-N 438.476 3.544 0 40 IHAB COc1ccc(OCCc2cc([C@@H]3CCN(C(=O)c4cccc(C)c4OC)C3)n[nH]2)cc1 72371714 QLEQPHUPSORLER-GOSISDBHSA-N 435.524 3.987 0 40 IHAB COC(=O)c1nc(NC(=O)c2cc(=O)n(C)c3ccccc23)sc1CCc1ccccc1 72403803 NJCUBDVZZXAVST-UHFFFAOYSA-N 447.516 3.819 0 40 IHAB CCCS(=O)(=O)N1CCc2ccc(NC(=O)c3ccc(OC(F)(F)F)cc3)cc2C1 77200776 ZRTOCSWMKNLFEW-UHFFFAOYSA-N 442.459 3.935 0 40 IHAB O=C(C1=NO[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12)c1ccc2ccccc2c1 100355309 FWCNVJZIFZZVKR-PXNSSMCTSA-N 449.260 3.729 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)/N=c2/sc3ccc(C)c(C)c3n2C)cc1 100821307 NXMRDNGMILGKQD-QURGRASLSA-N 431.583 3.628 0 40 IHAB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C(/NCc1ccc(F)cc1)Nc1ccccc1 101382524 FHFOSQMIQJLUEF-MRCUWXFGSA-N 448.429 3.661 0 40 IHAB O=C(OCc1ccc(F)cc1)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 108241876 ZBRVHCQVHVQMPH-UHFFFAOYSA-N 443.452 3.755 0 40 IHAB COC(=O)c1cccc(NC(=O)CSc2nnc(COc3ccc(C)c(C)c3)o2)c1 216030942 YKRWILLNFBADCF-UHFFFAOYSA-N 427.482 3.783 0 40 IHAB CC(C)c1ccc(CCCNC(=O)[C@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 220463528 MWVXSEPFMIQBFE-INIZCTEOSA-N 438.540 3.992 0 40 IHAB COc1ccc([C@H](C)NC(=O)c2ccc3c(c2)S(=O)(=O)N=C(C)N3CC(C)C)cc1 223122625 CQAPBRKUNVXNDV-HNNXBMFYSA-N 429.542 3.769 0 40 IHAB COc1ccc(N([C@@H](C)C(=O)NCCc2ccc(Cl)cc2)S(C)(=O)=O)cc1Cl 224046534 XJTRDVXDZAWFMP-ZDUSSCGKSA-N 445.368 3.515 0 40 IHAB Cc1ccc(OCCNC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2C)cc1C 224102964 NBNLHEWJOXNBBT-UHFFFAOYSA-N 444.597 3.841 0 40 IHAB COc1ccc(CN(C(=O)COc2cccc(C)c2C)[C@@H](C)C(=O)NCC(C)C)cc1 224481741 PRDBBBTVBSRFBS-FQEVSTJZSA-N 426.557 3.880 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCCc1ccc(F)cc1)c1ccc2ccccc2c1 224686889 RWQXPFHONREEGC-UHFFFAOYSA-N 428.529 3.884 0 40 IHAB CC[C@@H](C(=O)Nc1nnc(-c2ccc(C)cc2)s1)N(c1ccccc1)S(C)(=O)=O 225170569 RAZQXJYGFDUZPK-KRWDZBQOSA-N 430.555 3.697 0 40 IHAB CC1(C)C[C@H](NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c2ccccc2O1 225538090 ZXVYSNFGGOIYDS-UZLBHIALSA-N 446.544 3.645 0 40 IHAB CC1(C)Oc2ccccc2[C@H]2OCC3(CCN(C(=O)c4cnn5cccnc45)CC3)C[C@@H]21 257204320 ATYQXVHWSWACJT-PZJWPPBQSA-N 432.524 3.901 0 40 IHAB CNC(=O)c1cccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)c2ccc(C)s2)c1 257264305 LTVHOKLSOSTNQM-SFHVURJKSA-N 443.569 3.850 0 40 IHAB Cc1nc2ccc(C(=O)N3CCC[C@H](CC(=O)NCCOc4ccc(C)c(C)c4)C3)cc2[nH]1 257287303 PPJKFJFTEREJGG-HXUWFJFHSA-N 448.567 3.926 0 40 IHAB COc1ncccc1C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(C)=O)[C@H]2Cc1ccccc1 257325225 WRZVVPUFDUTEOW-FMLGWJCWSA-N 433.552 3.706 0 40 IHAB CC[C@H](NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(C)ccc2O1)c1ccc2c(c1)CCCC2 260943127 UECXXGRDRXHNQP-NZQKXSOJSA-N 442.581 3.668 0 40 IHAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccccc2SC)cc1Cl 408607904 QYHUKPBRUMWCJK-GFCCVEGCSA-N 428.963 3.766 0 40 IHAB Cc1ccccc1N1C[C@@H](C(=O)Nc2cccc(C(=O)Nn3c(C)ccc3C)c2)CC1=O 408683235 KWZCQYPGOOTODZ-FQEVSTJZSA-N 430.508 3.789 0 40 IHAB O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)NCc1ccccc1Cl 409130632 WYEXPLHOIJZMQO-UHFFFAOYSA-N 432.904 3.991 0 40 IHAB O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)N[C@@H]1CCO[C@]2(CCOC2)C1 538902884 KZFFKADPANSIJP-UTSGNWPNSA-N 442.943 3.656 0 40 IHAB C[C@](Cc1ccccc1)(NC(=O)NCc1cccc(N2CCOCC2)n1)c1ccccc1 1564622103 KOEGQBVDWBRGRA-AREMUKBSSA-N 430.552 3.876 0 40 IHAB O=S(=O)(Nc1nccs1)c1cc(Cl)c(NCC23CCCN2CCC3)cc1F 1772572734 XFWKBJBSEOZBRA-UHFFFAOYSA-N 430.958 3.777 0 40 IHAB O=C(NC[C@H](O)c1ccc(-c2cccs2)o1)C(=O)Nc1ccc(OC(F)(F)F)cc1 1775966682 TXWORXRZPKFTSA-ZDUSSCGKSA-N 440.399 3.695 0 40 IHAB Ic1ccc(Nc2nc3nonc3nc2NCc2ccco2)cc1 720556 LGYSSFLRUVVWBG-UHFFFAOYSA-N 434.197 3.566 0 40 IHAB COC(=O)c1c(NC(=O)COc2ccc(Cl)c(C)c2)sc2c1[C@H](C(=O)OC)CC2 1744146 XCQDWVDGZYWDLH-GFCCVEGCSA-N 437.901 3.717 0 40 IHAB Nc1c(C(=O)NC2CCCCC2)c2nc3ccccc3nc2n1-c1ccc(C(=O)O)cc1 2320607 PKRLUZURZMQMDR-UHFFFAOYSA-N 429.480 3.917 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CCC(C)C)CC(=O)NCc2ccc(F)cc2)cc1 2636195 XSTCFNWQZIASSX-UHFFFAOYSA-N 436.549 3.578 0 40 IHAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 3224119 MJMCYCRURMKAOI-WMZHIEFXSA-N 442.515 3.549 0 40 IHAB O=C(COC(=O)c1cc(Br)ccc1O)Nc1c(F)c(F)c(F)c(F)c1F 3233134 FDPLDHWTYJUBNF-UHFFFAOYSA-N 440.118 3.646 0 40 IHAB COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)Nc1cc(F)ccc1F 3611415 IJCLIUVGJIAGHB-UHFFFAOYSA-N 444.459 3.977 0 40 IHAB COc1ccccc1CN1CCC(C(=O)N(C)CCc2ccc(OC)c(OC)c2)CC1 4603164 ZSZNNUPMKYQVCD-UHFFFAOYSA-N 426.557 3.626 0 40 IHAB COc1ccc([C@@H]2CC(=O)N(CCCN(C)CCc3ccc(OC)c(OC)c3)C2)cc1 4742903 BSSMOKPJLOCBFI-OAQYLSRUSA-N 426.557 3.593 0 40 IHAB O=C(NC1CCCCC1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(CSc2ccccc2)nn1 8298864 SDCAPNPCVHOAOZ-AAIMPIBUSA-N 439.629 3.730 0 40 IHAB biogenic,in-vitro O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1)c1ccc(Cl)cc1 8449699 YMZWCGXHMJOYJY-LPTDTENNSA-N 435.863 3.691 0 40 IHAB CN(Cc1ccco1)C(=O)C1(c2ccccc2)CCN(S(=O)(=O)c2cccs2)CC1 9223101 HCOFJBDRVGVBDK-UHFFFAOYSA-N 444.578 3.722 0 40 IHAB C[C@H]1C[C@H](C)CN(C(=O)CSc2nnc3c4cc(Br)ccc4n(C)c3n2)C1 9273739 UXBXROJTMYWKJW-RYUDHWBXSA-N 448.390 3.876 0 40 IHAB Cc1ccccc1OCc1nnc(S[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)n1C 9303707 NHPLOASVWXQDAD-CQSZACIVSA-N 426.498 3.551 0 40 IHAB O=C(NCc1ccc(Cn2cccn2)cc1)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 9388723 HJWDUEDKGMBGBC-GOSISDBHSA-N 442.441 3.620 0 40 IHAB O=C(Cc1csc(NS(=O)(=O)c2ccc(Cl)cc2)n1)Nc1nc2ccccc2[nH]1 9421421 NOMWRALTHVODDM-UHFFFAOYSA-N 447.929 3.655 0 40 IHAB Cc1cc(C)c(S(=O)(=O)Nc2cccc(-c3ccc(N4CCOCC4)nn3)c2)cc1C 9529570 VQHNERPETOMSQL-UHFFFAOYSA-N 438.553 3.706 0 40 IHAB Cn1c(=O)c2c(-c3ccccc3Br)n(-c3ccc(F)cc3)cc2n(C)c1=O 9972174 SYNPDCQYZRLJCR-UHFFFAOYSA-N 428.261 3.597 0 40 IHAB O=C(Nc1ccc(F)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 9974410 KKAKIQYSNNZXEW-ZDUSSCGKSA-N 441.322 3.628 0 40 IHAB O=C(NCCCN1CCCCC1)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 10278965 HPCZTPLCEUHLNP-HSZRJFAPSA-N 427.570 3.660 0 40 IHAB COc1cc(-c2nnc(COC(=O)c3cccc(Br)c3)o2)cc(OC)c1OC 10628269 OFLYQSBLIXWLQJ-UHFFFAOYSA-N 449.257 3.882 0 40 IHAB Cc1cc(-n2c(C)cc(C(=O)CSc3nnc(N4CCCC4)n3C3CC3)c2C)no1 11377782 XBLIESASICTBGK-UHFFFAOYSA-N 426.546 3.892 0 40 IHAB Cc1ccc(NC(=O)CCCN(C)S(=O)(=O)c2cccs2)c(Br)c1 11457183 CHOCRHBBWWEOBQ-UHFFFAOYSA-N 431.377 3.858 0 40 IHAB Cc1ccnc(Nc2ccc(N3CCN(C(=O)c4c(F)cccc4Cl)CC3)nn2)c1 11696897 JURGJZJFLSDQRB-UHFFFAOYSA-N 426.883 3.679 0 40 IHAB COc1ccc2cc(CCNC(=O)c3cc(Br)ccc3Cl)c(=O)[nH]c2c1 11726454 HNUKRUNKCNFTLG-UHFFFAOYSA-N 435.705 3.925 0 40 IHAB CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)Cn3nc(C)c(C)c3C)cc2n1 12230581 MJGCLLMNARZQPS-KRWDZBQOSA-N 434.466 3.796 0 40 IHAB C[C@@]1(c2ccccc2)C[C@@H](Nc2ccc(I)cc2C(=O)O)C(=O)O1 12402142 BUPYJCMKAHHTOT-QAPCUYQASA-N 437.233 3.632 0 40 IHAB biogenic,in-vitro COC(=O)c1ccc2c(=O)n(CCCC(=O)NCc3ccccc3Cl)c(=S)[nH]c2c1 12416136 MGRWWKGTKQTEHF-UHFFFAOYSA-N 445.928 3.596 0 40 IHAB COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)Cc2ccccc2C)c1 12548573 MWOFSVDMLQFBEY-UHFFFAOYSA-N 426.494 3.691 0 40 IHAB Cc1ccc(-c2noc(CN3CCN(C(=O)c4ccc(Br)cc4)CC3)n2)cc1 12759201 XJEIPJHVTABIJG-UHFFFAOYSA-N 441.329 3.766 0 40 IHAB Cc1c(CC(=O)N[C@@H](C(=O)O)c2ccccc2)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 12896336 QIIKFMIAUASZHX-JOCHJYFZSA-N 435.476 3.690 0 40 IHAB biogenic COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1Cl 12911375 NUKANVHNHJUJLW-UHFFFAOYSA-N 448.972 3.877 0 40 IHAB Cc1ccc(-c2nc(NC=C3C(=O)NC(=S)NC3=O)sc2-c2ccc(C)cc2)cc1 13131944 VXYXPGNOEMIKIR-UHFFFAOYSA-N 434.546 3.921 0 40 IHAB COc1cccc([C@@H]2CC(=O)Nc3nc(SCc4cccc(F)c4)[nH]c(=O)c32)c1OC 13567349 UBVNJTRWVWDBEG-HNNXBMFYSA-N 441.484 3.693 0 40 IHAB C[C@H]1CCCC[C@@H]1NC(=O)CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1=O 13571665 PYGZMVITHVEOHU-DCPHZVHLSA-N 444.963 3.759 0 40 IHAB O=C1COc2ccc(C(=O)CSc3nnc(N4CCCCC4)n3-c3ccccc3)cc2N1 14095599 BZTPQTOORMMZPD-UHFFFAOYSA-N 449.536 3.564 0 40 IHAB O=c1c2cc(Br)ccc2ncn1C[C@H](O)COc1cccc2ccccc12 14186601 YEOJFZMZNSLPBO-INIZCTEOSA-N 425.282 3.752 0 40 IHAB COc1ccc(S(=O)(=O)Nc2cnn(Cc3ccc(F)cc3Cl)c2)cc1OC 14236949 WXLBZBXNHYHVAI-UHFFFAOYSA-N 425.869 3.542 0 40 IHAB COC(=O)c1cc(NC(=O)c2cc(Br)ccc2Cl)cc(C(=O)OC)c1 15012960 VKKGQROMWUSBAS-UHFFFAOYSA-N 426.650 3.928 0 40 IHAB CCOC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc1 15499476 RNBOZPKPMKRBMI-UHFFFAOYSA-N 438.505 3.941 0 40 IHAB Cc1cc(C)c(S(=O)(=O)Nc2ccc(-c3ccc(N4CCOCC4)nn3)cc2)cc1C 15882161 LTBWENNHYFVANS-UHFFFAOYSA-N 438.553 3.706 0 40 IHAB Cc1ccc(C(=O)NC(=S)Nc2ccc(I)cn2)cc1Cl 16312757 YGCDFKUIIVZRDY-UHFFFAOYSA-N 431.686 3.775 0 40 IHAB COc1ccc(-c2nc3scc(CCNS(=O)(=O)c4cc(C)ccc4C)n3n2)cc1 17026529 KMSYUWUPRIVSSC-UHFFFAOYSA-N 442.566 3.604 0 40 IHAB CNc1ncc(CN2CCC[C@H]2Cn2c(C(F)(F)F)cc(=O)c3cc(C)ccc32)cn1 19219896 JUCNHKJVLZBBBH-INIZCTEOSA-N 431.462 3.825 0 40 IHAB Cc1cccc(CC(=O)N2CCO[C@@](Cc3cccc(-c4ccccc4)c3)(C(N)=O)C2)c1 19234781 BXVXBVCSQCULSU-HHHXNRCGSA-N 428.532 3.530 0 40 IHAB Cc1cnc(C(=O)N2CCc3nc(-c4ccncc4)nc(Nc4ccccc4F)c3C2)cn1 19238932 ATKUAQWRFUQUDN-UHFFFAOYSA-N 441.470 3.718 0 40 IHAB O=C(C1CCCCC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(Cc1ccccc1F)CC2 19349264 DPVQHCVDUHIESM-JOCHJYFZSA-N 438.547 3.711 0 40 IHAB CCNC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCCN(C(=O)c2ccn(C)n2)C1 19528684 VNPBSUHHPNUYBW-AREMUKBSSA-N 430.552 3.688 0 40 IHAB CCNC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)Cc2c(C)n[nH]c2C)C1 19528892 NLIBHNCJAUZEIQ-HHHXNRCGSA-N 444.579 3.834 0 40 IHAB COc1ccc(CN2CCN(c3c(F)cccc3[C@H](O)c3ccccn3)CC2)c(OC)c1 19552424 OPYVJHHCTQZDRA-VWLOTQADSA-N 437.515 3.642 0 40 IHAB CCN1CCN(C(=O)c2cncn2CC)C[C@H](Cc2ccccc2-c2cccs2)C1=O 19578446 WVRLQNMHEZFRSG-IBGZPJMESA-N 436.581 3.795 0 40 IHAB COc1ccc([C@H]2CN(Cc3ccccc3)C[C@@H]2NC(=O)c2c(C)noc2C)cc1OC 19580304 VVKKAWBIZIIGHM-RTWAWAEBSA-N 435.524 3.707 0 40 IHAB COc1cccc(N(C)CCC(=O)N2CCC[C@H](c3ccc(-c4cnn(C)c4)cn3)C2)c1 19687221 OYQXRZMRSWXXLH-FQEVSTJZSA-N 433.556 3.723 0 40 IHAB CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CCCN2C(=O)CC2CCCCC2)n1 19689601 QBXOUPFGACOIPQ-OAQYLSRUSA-N 435.572 3.942 0 40 IHAB CNc1nc([C@H]2CCCCN2C(C)=O)nc2c1CN(Cc1ccc3ncccc3c1)CC2 19710380 RSMBKBXUCLYVDI-HSZRJFAPSA-N 430.556 3.698 0 40 IHAB CCCn1ncc2ccc([C@@H]3CCCN(S(=O)(=O)c4cc(C)ccc4OC)C3)nc21 19742474 QFDSJRINGUXAJJ-GOSISDBHSA-N 428.558 3.727 0 40 IHAB CCN(CC)C(=O)c1cnc([C@@H]2CCCCN2C(=O)c2[nH]nc3c2CCCCC3)nc1C 19765531 WFCKXCOQASDBPH-FQEVSTJZSA-N 438.576 3.626 0 40 IHAB CCN(CC)Cc1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)cc1 20460785 KKPZGLKPXGDIHU-UHFFFAOYSA-N 429.586 3.706 0 40 IHAB CC(=O)N[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccc(C)cc1 21413345 MBKYWYIIGGIXRL-QGZVFWFLSA-N 431.418 3.801 0 40 IHAB COCCN1CCn2c(nc3cc(NC(=O)COc4cc(C)ccc4C(C)C)ccc32)C1 21782608 MVLSADFMEJMMKN-UHFFFAOYSA-N 436.556 3.948 0 40 IHAB Cc1cc(C)c(N(CC(=O)NCCSCc2ccccc2F)S(C)(=O)=O)c(C)c1 22395114 NQPVKTHMLGCVAX-UHFFFAOYSA-N 438.590 3.567 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N(C)Cc2ccc(OC(F)(F)F)cc2)c1 23101960 PGMKQOITGYKVLX-UHFFFAOYSA-N 444.475 3.529 0 40 IHAB CCOc1ccccc1C(=O)N[C@H](C(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1)C(C)C 23563965 PKSFQCIPERBGFZ-MBSDFSHPSA-N 434.540 3.903 0 40 IHAB COc1ccc([C@H](CNC(=O)c2csc(-c3cccs3)n2)N2CCOCC2)cc1 23935792 MQSLUTVNUIPNGB-SFHVURJKSA-N 429.567 3.684 0 40 IHAB COc1cc(CNC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)ccc1OC(F)F 24077414 OFBFLCLTPABXSM-UHFFFAOYSA-N 427.831 3.970 0 40 IHAB COC(=O)c1sc(NC(=O)CCN(Cc2cccs2)C2CC2)c(C(=O)OC)c1C 24774316 PQKXUBUJIQGIAA-UHFFFAOYSA-N 436.555 3.684 0 40 IHAB Cc1c(C(=O)N2CCN(C(=O)Nc3ccc(F)cc3)CC2)cnn1-c1cccc(Cl)c1 25085850 GHMWXRQUEYJUIC-UHFFFAOYSA-N 441.894 3.963 0 40 IHAB O=C(CSc1nnc(NC[C@@H]2CCCO2)s1)Nc1ccccc1OCC(F)(F)F 25351153 FWKHAMAJRHXZTQ-NSHDSACASA-N 448.492 3.801 0 40 IHAB C[C@@](Cc1nc2ccccc2s1)(C(=O)N1CCN(c2ncccn2)CC1)c1ccccc1 30822308 KGOFVDGUWQVJKG-VWLOTQADSA-N 443.576 3.936 0 40 IHAB COCCCn1c(=O)c2ccccc2n2c(S[C@@H](C)c3nc(C(C)(C)C)no3)nnc12 32754496 OMXXRTVIUMKMPS-ZDUSSCGKSA-N 442.545 3.615 0 40 IHAB Nc1nc(SCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)nc2sccc12 32841115 XDLJRBJILLOYER-OAHLLOKOSA-N 442.566 3.891 0 40 IHAB CC(C)n1cnc2nc(CSc3ccccc3NC(=O)COc3ccccc3)cc(=O)n21 33014321 IIPFONWLOSOJBL-UHFFFAOYSA-N 449.536 3.782 0 40 IHAB Cc1ccc(-c2noc(-c3ccc4c(=O)n(Cc5ccccc5F)c(=O)[nH]c4c3)n2)cc1 38487724 JZRIJUAGENMRKR-UHFFFAOYSA-N 428.423 3.903 0 40 IHAB CCOc1ccc(-c2cc(C(=O)N3CCC(NC(=O)c4ccccc4C)CC3)[nH]n2)cc1 49406683 YJYZMBSRTTXTFF-UHFFFAOYSA-N 432.524 3.818 0 40 IHAB C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCN(c5cccc(Cl)c5)CC4)[C@H]3[C@@H](O)[C@@]21C 61992821 HXHILYRRLVJUGI-WVBGXPNBSA-N 445.003 3.747 0 40 IHAB FC(F)(F)c1ccc(-c2noc(CSc3nnnn3CCc3ccccn3)n2)cc1 65610170 GLDFLJRXLBFBCP-UHFFFAOYSA-N 433.419 3.672 0 40 IHAB CNC(=O)c1cnc(C)nc1[C@@H]1CCCN1C(=O)C1(c2ccc(OC)cc2)CCCCC1 72345671 ZYOPUYLDQPJHGI-NRFANRHFSA-N 436.556 3.719 0 40 IHAB COc1ccc(-c2noc([C@H]3CCN(Cc4cc(OC)c(OC)c(OC)c4)C3)n2)cc1 72369926 OKENTAJTZLFSRX-KRWDZBQOSA-N 425.485 3.761 0 40 IHAB CCn1ccc(C(=O)N2CC[C@@H](c3cc(CCOc4cccc(C(F)(F)F)c4)[nH]n3)C2)n1 72371668 CVGRYMNWOULTOY-OAHLLOKOSA-N 447.461 3.896 0 40 IHAB COc1cccc(OC)c1C(=O)N1CCNC(=O)[C@@H](Cc2ccc(-c3ccccc3)cc2)C1 72390994 SJBNYZBQWCYEPC-QFIPXVFZSA-N 444.531 3.802 0 40 IHAB CC(C)(C)c1nc(CN2CCN(S(=O)(=O)c3ccccc3-c3ccccc3)CC2)no1 79092265 VZHHVGVIUSHBLD-UHFFFAOYSA-N 440.569 3.541 0 40 IHAB O=C(NCCc1nc(-c2ccccc2)cs1)[C@@H]1CCCN(c2ccc(Cl)nn2)C1 79477677 URXVVVHDVCDMIH-MRXNPFEDSA-N 427.961 3.829 0 40 IHAB COc1cccc(NC(=O)N2CCC(Oc3ncccc3Br)CC2)c1OC 96096999 ATRGQCWJDANLJP-UHFFFAOYSA-N 436.306 3.937 0 40 IHAB O=C(NCc1ccccc1)N1CCC[C@@H]1c1nnn2cc(NCc3cccnc3)ccc12 96267948 TXURHCOUUUCUSQ-OAQYLSRUSA-N 427.512 3.783 0 40 IHAB COc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccc(OC)cc4)[C@H]3c3ccccc3)C2=O)cc1 102693143 MRIXZMITUCEVGP-RJGXRXQPSA-N 430.460 3.755 0 40 IHAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O 106866077 NFGYQCLKRPEOMK-CZSZKKDXSA-N 437.515 3.778 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2F)c2ccccc2)cc1OC 113935409 ISXPMFWJHPCDEC-UHFFFAOYSA-N 444.484 3.677 0 40 IHAB CC(C)OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C\[C@@H](O)CCc1ccccc1 117635364 JGZRPRSJSQLFBO-QWEVVLLKSA-N 430.585 3.962 0 40 IHAB COc1ccc(-c2noc(CNC(=O)COc3ccc(C(C)(C)C)cc3)n2)c(OC)c1 218935232 CPZDABLPFSWFFG-UHFFFAOYSA-N 425.485 3.747 0 40 IHAB COc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3cc(C)cc(C)c3C)n2)c(OC)c1 219304080 BYODPDHKTPIHFH-MRXNPFEDSA-N 425.485 3.763 0 40 IHAB O=C(CCCN1C(=O)c2ccccc2S1(=O)=O)NC(c1ccccc1)c1ccccc1 219439864 RUBKYVHAMAKPQL-UHFFFAOYSA-N 434.517 3.517 0 40 IHAB CCOc1cccc(CNC(=O)[C@H](CC)N(c2ccc(F)c(Cl)c2)S(C)(=O)=O)c1 222511011 OIHOOTXMPFTFDR-IBGZPJMESA-N 442.940 3.739 0 40 IHAB COc1ccc(CNC(=O)[C@H](C)N(Cc2ccccc2)C(=O)COc2ccccc2)cc1 222773916 MRPWFAJFLJQYQA-FQEVSTJZSA-N 432.520 3.808 0 40 IHAB COc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3OC)cc2)c1 224531375 SCKODMNFOVKXAW-UHFFFAOYSA-N 442.493 3.766 0 40 IHAB CCOC(=O)CN(c1ccc(C(=O)OC)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 224932908 AVBDXYBZYDUANX-UHFFFAOYSA-N 446.308 3.538 0 40 IHAB CC(=O)N1[C@@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)Cn1cc(C)cn1 257279951 OIWQGQZABMDRDZ-TYUWDEHNSA-N 434.584 3.583 0 40 IHAB O=C(c1ccccc1CN1CCOCC1)N1CCC[C@]2(CC1)CN(c1ccccc1)C(=O)O2 257285772 PIUFXHXNWAMTPH-SANMLTNESA-N 449.551 3.541 0 40 IHAB Cc1ncsc1C(=O)N1CCO[C@@H](c2cc(CCOc3cccc(Cl)c3)n(C)n2)C1 257330276 XNQXFFCSJXTZMO-LJQANCHMSA-N 446.960 3.674 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3c4ccccc4C[C@H]3C)C2)cc1C 260743425 PNJNNDYGXPCQSY-UYAOXDASSA-N 442.581 3.772 0 40 IHAB COc1ccc(OC)c(N([C@H](C)C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)S(C)(=O)=O)c1 260928678 KJNMNOSBFMTMEA-ZWKOTPCHSA-N 448.585 3.661 0 40 IHAB COc1cccc(-c2ccc3nc([C@H]4CCCN(C(=O)c5cc(C)no5)C4)nn3c2)c1OC 306142296 WVOGREQBONBYCW-KRWDZBQOSA-N 447.495 3.730 0 40 IHAB Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 408526820 CMWBGDXSLGHBIL-UHFFFAOYSA-N 442.459 3.816 0 40 IHAB CC(C)NS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)CCc2ccccc2)c(Cl)c1 408583995 LCPKWZNTRSZVPK-MRXNPFEDSA-N 438.977 3.543 0 40 IHAB COc1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3cccc(OC)c3)cc2)cc1 408601791 HKIQZUTZGRIMLX-UHFFFAOYSA-N 442.493 3.522 0 40 IHAB Cc1cccc(C)c1NC(=O)COC(=O)CCC(=O)Nc1ccc(C(=O)OC(C)C)cc1 408663166 LQVYMDGRUQODFF-UHFFFAOYSA-N 440.496 3.769 0 40 IHAB Cc1ccc(C)c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@@H](C)C=CC[C@H]4C3=O)cc2)c1 408669358 WFCJDOVVKOOVHZ-WGGBDISSSA-N 446.503 3.801 0 40 IHAB CC(=O)Nc1ccc(NC(=O)COC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)c2ccccc2)cc1 408669925 XNMHDFKEVNYVGG-JRSMBCBASA-N 434.492 3.672 0 40 IHAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)NC2CCCCCC2)cc1 409331016 CBWHWOCGPZXFBH-UHFFFAOYSA-N 430.570 3.725 0 40 IHAB Cc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3cccc(Cl)c3C)n2C)cc1 409339344 UKCQUYAJMZZBBO-UHFFFAOYSA-N 443.960 3.746 0 40 IHAB CCc1n[nH]cc1C(=O)N1CCN(CC)C(=O)[C@@H](Cc2ccc(-c3ccccc3F)cc2)C1 585183576 CBDKGLUPKWFEMB-FQEVSTJZSA-N 448.542 3.941 0 40 IHAB Cc1nc(CC(=O)N2CCC[C@]3(CCCCc4ccccc4OCCNC3=O)C2)cs1 643560391 QABFTOABVDKLJI-XMMPIXPASA-N 441.597 3.524 0 40 IHAB CN(C)[C@@H]1CC[C@H]2CN(C(=O)c3ccccc3OCC(=O)Nc3ccccc3F)C[C@H]2C1 1537789611 ATWZGVUWVGNCOT-IPMKNSEASA-N 439.531 3.646 0 40 IHAB COCCCN(C[C@H]1CCCN2CCCC[C@H]12)C(=O)Nc1ccc2c(c1)OCCCO2 1565519533 CKPCHMPNXHWMDV-TZIWHRDSSA-N 431.577 3.983 0 40 IHAB biogenic Cc1nc(-c2ccc(S(=O)(=O)N3CCC(COc4ccncc4C)CC3)cc2)co1 1889258626 RNQOGPGAVVYGMI-UHFFFAOYSA-N 427.526 3.833 0 40 IHAB Cc1c(Cl)cccc1NC(=O)COC(=O)[C@H](CC(C)C)N1C(=O)c2ccccc2C1=O 1917039 FIQFOYGHGHIAJW-IBGZPJMESA-N 442.899 3.841 0 40 IHAB CC[C@]1(C)Cc2c(sc3nc(SCC(=O)NCc4ccccc4)nc(N)c23)CO1 2406715 DXZYZWJFTNHRSN-OAQYLSRUSA-N 428.583 3.923 0 40 IHAB COc1cc([C@H]2CC(=O)c3cnc(NC(=O)c4cccc(C)c4)nc3C2)cc(OC)c1OC 2423710 JWZOZGQCMZBHIJ-MRXNPFEDSA-N 447.491 3.976 0 40 IHAB O=C(CSc1nnnn1-c1ccc(Cl)cc1)N1CCC(Cc2ccccc2)CC1 3493287 NFHSRFZNEOIHED-UHFFFAOYSA-N 427.961 3.889 0 40 IHAB CC(C)CC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)cc1 7001665 KBBOHROMOVEHKE-GYCJOSAFSA-N 427.545 3.991 0 40 IHAB Cc1ccc(-n2c(SCC(=O)NCCc3cccs3)nnc2N2CCCC2)cc1 8720345 LNRWYGJLXYDDFZ-UHFFFAOYSA-N 427.599 3.688 0 40 IHAB COc1ccc2[nH]cc(CCNC[C@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@@H](O)[C@H]34)c2c1 8762995 BJRTZLZJYHGJHK-AHXHASAGSA-N 438.568 3.594 0 40 IHAB CCCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(OC)c(OC)c1)C(C(=O)OCC)=C(C)N2 8768864 GUAJVEMSZQGCBA-QGZVFWFLSA-N 445.541 3.684 0 40 IHAB Cc1c(-c2ccccc2)sc2ncn(CC(=O)Nc3ccc4c(c3)OCCO4)c(=O)c12 8965729 XSQPWCZSFGSHSI-UHFFFAOYSA-N 433.489 3.843 0 40 IHAB COc1cccc(Nc2cnn(C34C[C@@H]5CC(C[C@@H](C5)C3)[C@@H]4C(=O)O)c(=O)c2Cl)c1 9233822 GRHNBALWWGAKJN-ZUVKRXBCSA-N 429.904 3.885 0 40 IHAB O=C(CSc1nnnn1Cc1ccccc1)N[C@H](c1ccc(F)cc1)c1cccs1 9257822 MJFCZOZJEJYPDL-HXUWFJFHSA-N 439.541 3.920 0 40 IHAB O=C(CNC(=O)c1ccc(Br)cc1)NCCc1ccc(C(F)(F)F)cc1 9376402 NTUQWDRJUABSSA-UHFFFAOYSA-N 429.236 3.557 0 40 IHAB CCc1cccc(C)c1NC(=O)CSc1nnc(-c2cc(-c3ccc(C)cc3)n[nH]2)n1N 9449328 QZLKUHRFFANQKZ-UHFFFAOYSA-N 447.568 3.959 0 40 IHAB COc1ccc(Cc2nnc(SCC(=O)Nc3cc(C)nn3-c3ccccc3)o2)cc1 9480917 MWVNHUDFRULKIS-UHFFFAOYSA-N 435.509 3.894 0 40 IHAB O=C(Cn1cc(C(=O)c2ccccc2)c(=O)c2ccccc21)Nc1ccc2c(c1)OCO2 9855520 CVLNNTLZBTTXQP-UHFFFAOYSA-N 426.428 3.600 0 40 IHAB O=C(CNC(=O)c1ccc(Cl)cc1)NCC(=O)OC(c1ccccc1)c1ccccc1 10042632 RPXKMWAZKOHBMR-UHFFFAOYSA-N 436.895 3.519 0 40 IHAB COc1ccccc1N(CC(=O)N1CCCc2ccccc21)S(=O)(=O)c1ccccc1 10278505 NHZOZHNTJCHRJX-UHFFFAOYSA-N 436.533 3.870 0 40 IHAB Oc1cccc([C@@H]2c3c(-c4ccc(Cl)cc4Cl)nnc(O)c3Nc3nnnn32)c1 10298333 OLAKVEGDGANPFE-MRXNPFEDSA-N 428.239 3.543 0 40 IHAB CC(C)CCNC(=O)CN1c2ccc(Br)cc2-c2ccccc2S1(=O)=O 11121273 PQYRXOYQBXWYMG-UHFFFAOYSA-N 437.359 3.787 0 40 IHAB CNC(=O)CSc1nc(-c2ccccc2)c(NC(=O)c2ccc3c(c2)OCO3)s1 12442927 HCHXSNDOPKRGGA-UHFFFAOYSA-N 427.507 3.629 0 40 IHAB COc1cc(/C=C/C(=O)N2CCC(NC(=O)c3ccccc3)CC2)cc(Cl)c1OC 12864179 GOSCGOHESNTIRP-CMDGGOBGSA-N 428.916 3.791 0 40 IHAB COc1cc(C(=O)Nc2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)ccc1OC(F)F 12887692 AXLHMVZGTVXUFX-VXGBXAGGSA-N 427.473 3.615 0 40 IHAB CC(=O)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1cn(-c2ccccc2C(F)(F)F)nn1 12940730 HLWMBEXPVGQRTC-CYBMUJFWSA-N 446.385 3.673 0 40 IHAB Cc1ccc(NC(=O)CN2CCC(C(=O)N3CCCCCC3)CC2)c(Br)c1 12943608 PZBXTWULUQQFDN-UHFFFAOYSA-N 436.394 3.811 0 40 IHAB Cc1cc(C)c(-c2csc(NC(=O)CCc3c(C)nc4nc(N)nn4c3C)n2)c(C)c1 12995470 ISNMEYVOYOPYDW-UHFFFAOYSA-N 435.557 3.943 0 40 IHAB CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)COc2ccccc2Cc2ccccc2)C1=O 13002816 HQOGIRVKJUSQPN-SANMLTNESA-N 443.503 3.545 0 40 IHAB Nn1c(SCC(=O)N2CCC(c3ccccc3)=N2)nnc1-c1ccc(Cl)cc1Cl 13120197 BWSHQRUGZOMXDL-UHFFFAOYSA-N 447.351 3.694 0 40 IHAB Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2C(C)(C)CO[C@H]3c2ccc(O)cc2)cc1 13574178 AEHZZYYWBBKBDI-QHCPKHFHSA-N 445.519 3.574 0 40 IHAB O=C(COc1ccc(Cl)cc1Cl)NCCCn1nc(-c2ccccc2)ccc1=O 13795769 SSAMWCQBVFZPSG-UHFFFAOYSA-N 432.307 3.802 0 40 IHAB C[C@@H](NC(=O)CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)c1ccc2ccccc2c1 14018072 JTOXVVPJEBLRKF-OYLFLEFRSA-N 433.533 3.862 0 40 IHAB C[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)Nc1sccc1C(N)=O 14200512 YCAJHXVTZAEMEJ-JTQLQIEISA-N 433.584 3.545 0 40 IHAB Cc1ccc(CN2C[C@H](C(=O)Nc3cccc(I)c3)CC2=O)cc1 15305052 DHZKSZJQRUTSJQ-OAHLLOKOSA-N 434.277 3.587 0 40 IHAB COC(=O)c1ccc(NC(=O)CSc2nccn3nc(-c4ccc(OC)cc4)cc23)cc1 16841145 IABYRVGFMBRMTO-UHFFFAOYSA-N 448.504 3.922 0 40 IHAB O=C(N[C@]1(C(F)(F)F)N=C(O)N(c2cccc(Cl)c2)C1=O)c1ccc(Cl)cc1 16996004 IKOGBHASEYJTTE-INIZCTEOSA-N 432.185 3.943 0 40 IHAB C[C@@H](NC(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1)c1cccs1 17842226 QDLWTRBIJBLBDR-CQSZACIVSA-N 436.580 3.891 0 40 IHAB O=C(C1CCCCC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(Cc1ccccc1F)C2 19349402 JVZMCBPPENKSAG-JOCHJYFZSA-N 438.547 3.711 0 40 IHAB COc1ccc(C(=O)OCC(=O)N(C)CC(=O)Nc2c(C)cccc2C)c2ccccc12 19352677 KENZVHYCFUFDSU-UHFFFAOYSA-N 434.492 3.719 0 40 IHAB CCCn1ccc(C(=O)N2CC[C@@](Cc3cccc(-c4ccccc4)c3)(C(=O)NC)C2)n1 19526105 SKAMAAQSMVYMRT-SANMLTNESA-N 430.552 3.781 0 40 IHAB COc1ccccc1-c1nc(CN2CCN(CC(=O)Nc3cccc(F)c3)CC2)cs1 19537198 RBZCFDXZEHXXBU-UHFFFAOYSA-N 440.544 3.714 0 40 IHAB COc1ccc(CN2CCC([C@@H]3C[C@H](C(=O)Nc4ccc(OC)cc4)CN3C)CC2)cc1 19587673 LPNRMLKFLUZTBF-OFVILXPXSA-N 437.584 3.875 0 40 IHAB Cc1ccc(C)c([C@H]2CCCN2C(=O)c2ccc(=O)n(CC(=O)Nc3nccs3)c2)c1 19749281 HLFNMGWOJQIRTR-LJQANCHMSA-N 436.537 3.538 0 40 IHAB COc1ccccc1[C@H](C)NC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2)cc1 20019918 JXLTYZJSPUHEMG-KRWDZBQOSA-N 440.521 3.752 0 40 IHAB CCOc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc4ccccc34)CC2=O)cc1 21094302 XROJPHYDGNCVKJ-GOSISDBHSA-N 432.476 3.773 0 40 IHAB Cc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1 21230178 TUSLMRVSFBBWPR-OAHLLOKOSA-N 428.539 3.705 0 40 IHAB O[C@H](COc1ccc(Br)cc1)CN1CCN(Cc2ccc(Cl)cc2)CC1 22575979 VXSZACVDGSJGDM-IBGZPJMESA-N 439.781 3.660 0 40 IHAB COc1ccc(NC(=O)C(=O)NC[C@H](c2cccs2)N2CCc3ccccc3C2)cc1 22908136 GLLDXQONVKNETO-OAQYLSRUSA-N 435.549 3.611 0 40 IHAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)OC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 24843597 XLFVGRDFTNSGKF-DLBZAZTESA-N 445.519 3.646 0 40 IHAB NC(=O)c1cc(NC(=O)c2ccccc2C(=O)c2ccc3c(c2)OCCO3)ccc1Cl 29341282 JKHRXGWRWLEXKQ-UHFFFAOYSA-N 436.851 3.693 0 40 IHAB O=C(NCCc1ccco1)c1ccc(CNS(=O)(=O)c2ccc3ccccc3c2)cc1 32676160 YKKRXVCLYWYCMU-UHFFFAOYSA-N 434.517 3.884 0 40 IHAB O=C(N[C@H]1CCOc2ccccc21)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 32731444 LMGJEYRSQHVPTE-IBGZPJMESA-N 426.469 3.880 0 40 IHAB O=c1cc(CSc2ccccc2NS(=O)(=O)c2ccc(F)cc2)nc2ccccn12 33026317 PXVAWSSHWSBRHI-UHFFFAOYSA-N 441.509 3.927 0 40 IHAB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]2[C@H]2CCCN21 33711921 LKCKDRMAWUHSIF-IQXSCUCBSA-N 437.499 3.579 0 40 IHAB Cc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3c(C)cc(C)cc3C)n2C)cc1 34745782 HTVJIFIOEHOAIQ-UHFFFAOYSA-N 437.569 3.710 0 40 IHAB Cc1ccc(S(=O)(=O)c2c(C)cc(C)n(CC(=O)Nc3ccc(C)cc3C)c2=O)cc1 35396711 GKZKCIQNSJWWNL-UHFFFAOYSA-N 438.549 3.862 0 40 IHAB Cc1nc(-c2cccc(NC(=O)Cc3csc(NC(=O)c4cnccn4)n3)c2)cs1 36657952 NCKXYLKYONVBDM-UHFFFAOYSA-N 436.522 3.799 0 40 IHAB COc1ccc(-n2nnc(-c3nc(C)c(C(=O)NCc4ccccc4OC)s3)c2C)cc1 38654951 KJRYVYKWOCMDIH-UHFFFAOYSA-N 449.536 3.955 0 40 IHAB CC(C)CNC(=O)[C@H]1CCCN(C(=O)CCCOc2ccccc2Br)C1 40121286 XUTAFUPTGYGJGH-INIZCTEOSA-N 425.367 3.619 0 40 IHAB COc1ccc(-c2cc(NC(=O)COc3ccccc3)n(-c3ccccn3)n2)cc1OC 41156063 HKZNYSZLCVDBSW-UHFFFAOYSA-N 430.464 3.969 0 40 IHAB CCOCCCN(C(=O)COc1ccc(Br)cc1)C1=NC(C)(C)CS1 48311781 KYRAJRUBUVAMRI-UHFFFAOYSA-N 429.380 3.965 0 40 IHAB CC1(C)Cc2cccc(OCC(=O)Nc3ccc(CC(=O)NCC(F)(F)F)cc3)c2O1 49523965 GMPHLQFJDBQKNQ-UHFFFAOYSA-N 436.430 3.639 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(NCC(=O)N2CCSc3ccccc32)ccc1C 57756032 RVKSTUWTNPRFMF-UHFFFAOYSA-N 433.599 3.576 0 40 IHAB O=C(CN1CCC(O)(CN2CCOc3ccccc32)CC1)CC12CC3CC(CC(C3)C1)C2 57774711 ZRYADQUPAVLZMG-UHFFFAOYSA-N 438.612 3.888 0 40 IHAB O=C(CCn1nc(-c2ccc(Br)cc2)ccc1=O)NCc1ccc(F)cc1F 67261654 URYQUSHLOMVMQJ-UHFFFAOYSA-N 448.267 3.658 0 40 IHAB CCc1noc(-c2ccc(-n3cnc(C(=O)NCc4cccc(C(F)(F)F)c4)c3)nc2)n1 71768353 NGDZBKCHMSMQBE-UHFFFAOYSA-N 442.401 3.829 0 40 IHAB COCCN(C(=O)c1ccc(C)s1)[C@@H](C(=O)OC)c1ccc(Br)cc1 72292789 XHCMLMZYJGPAAY-MRXNPFEDSA-N 426.332 3.822 0 40 IHAB CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@H]1CCCN(Cc2cccnc2N(C)C)C1 72344833 UEJDKDHDLJSMAT-FQEVSTJZSA-N 432.572 3.523 0 40 IHAB CCN1CCN(C(=O)c2ccccn2)[C@@H](Cc2cccc(-c3ccc(OC)cc3)c2)C1=O 72351448 GDZXFVYMGGTQST-DEOSSOPVSA-N 429.520 3.673 0 40 IHAB COc1ccc(OC)c(C(F)(F)C(=O)N2CCC(NC(=O)c3ccccc3C)CC2)c1 79013080 LUXRADQJMOIRTA-UHFFFAOYSA-N 432.467 3.525 0 40 IHAB Cc1cc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc(C)c1F 95447956 QUAFRGRNLIZCGD-UHFFFAOYSA-N 446.953 3.681 0 40 IHAB COc1cc(CN2CCc3cccc(C)c32)cc(Br)c1OCC(=O)N(C)C 95468660 QBBFWAGZCOXZCZ-UHFFFAOYSA-N 433.346 3.796 0 40 IHAB C[C@H]1CCCCN1C(=O)c1cnc(-c2noc3cc(N4CCN(C)CC4)ccc23)s1 96154608 RJQOVQJWMRLUOR-HNNXBMFYSA-N 425.558 3.718 0 40 IHAB O=C(C[C@H]1CC2(CCN(C(=O)c3cccc(F)c3)CC2)c2ccccc21)N1CCOCC1 96242176 LTHZLFAARASMPZ-FQEVSTJZSA-N 436.527 3.736 0 40 IHAB CC(C)C[C@H](C(=O)N1CC(c2nc3ccccc3s2)C1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 101611818 ZYMNYBJCQFRJBT-ZIFCJYIRSA-N 437.565 3.588 0 40 IHAB CC[C@@H](C(=O)NCCSCc1ccc(C)cc1)N(c1cccc(C)c1)S(C)(=O)=O 220500505 DPGGYHUIGUVFCH-NRFANRHFSA-N 434.627 3.898 0 40 IHAB CCOc1ccc(N([C@H](CC)C(=O)N[C@@H](C)CCc2ccccc2)S(C)(=O)=O)cc1 220674863 LGXZLRZIUBGKJU-PGRDOPGGSA-N 432.586 3.767 0 40 IHAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CCCN(c1ccccc1C)S(C)(=O)=O 222555079 JMPSAXJSWWXDGG-GOSISDBHSA-N 445.585 3.708 0 40 IHAB COc1ccc(N(CCCC(=O)Nc2ccccc2C(F)(F)F)S(C)(=O)=O)cc1 222600825 YRYJAJLIZVMRMJ-UHFFFAOYSA-N 430.448 3.899 0 40 IHAB CC[C@H](NC(=O)[C@@H](CC)N(c1ccc(F)cc1)S(C)(=O)=O)c1ccc(OC)c(C)c1 223183249 CJBVJSMKZYGRCK-VQTJNVASSA-N 436.549 3.955 0 40 IHAB CSc1ccc(S(=O)(=O)NCCOc2ccc(C)cc2C)cc1C(=O)N1CCCC1 224319616 QLOKGEFNZOLUTI-UHFFFAOYSA-N 448.610 3.619 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CC(C)(C)Oc4ccccc43)CC2)cc1 225480426 KYWMYDNNQVBHLF-NRFANRHFSA-N 442.581 3.814 0 40 IHAB O=C(NCCCNc1ccnc2cc(Cl)ccc12)c1cn2c3c(cccc3c1=O)CC2 225861130 RAWLETRKBQVAJY-UHFFFAOYSA-N 432.911 3.991 0 40 IHAB Cc1cc(C)nc(Nc2cccc(C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)c2)n1 225914958 KHBKXPVUAMRCLD-UHFFFAOYSA-N 439.541 3.648 0 40 IHAB O=C(O)/C=C/c1cccc(NC(=S)NC(=O)COc2ccc(Cl)cc2Cl)c1 226323337 ZGSKNKGBDUQUQG-QPJJXVBHSA-N 425.293 3.983 0 40 IHAB C[C@H](NC(=O)[C@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2O1)c1ccc2c(c1)OCCO2 248278008 ZMVIGPBFQIFGMS-FNMRADCMSA-N 448.519 3.590 0 40 IHAB Cc1cc(-c2cnn(C)c2)cc([C@@H]2CN(CC(=O)N(Cc3ccccc3)C(C)C)CCO2)n1 257200725 AEQPKSKLNSLGKM-VWLOTQADSA-N 447.583 3.601 0 40 IHAB CCC(=O)N1CC[C@H](c2cc3nc(C)c(CCC(=O)NCC4CCCCC4)c(C)n3n2)C1 257214095 CKMQMOHMIJTTLK-FQEVSTJZSA-N 439.604 3.701 0 40 IHAB COc1ccc(OC[C@H](O)CN(C)Cc2ccc(OCc3c(C)noc3C)cc2)cc1 257239510 HPQROAGSTVFLKF-HXUWFJFHSA-N 426.513 3.751 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](C)CCc3ccccc3)C2)c1 260825734 JTNBKBMUEGOFOY-IRLDBZIGSA-N 428.598 3.842 0 40 IHAB COc1cccc(CNC(=O)[C@@H]2COCCN(Cc3cccnc3)[C@H]2c2ccccc2)c1 306139715 TYEQRSBERYJEPM-RPBOFIJWSA-N 431.536 3.596 0 40 IHAB CN1c2ccccc2N(C2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)S1(=O)=O 390830067 IMZFTZVUFAEOJX-UHFFFAOYSA-N 427.570 3.790 0 40 IHAB C[C@@H](C(=O)Nc1ccccc1Br)N(c1cccc(Cl)c1)S(C)(=O)=O 408555462 FZIGEZLEWYNQMQ-NSHDSACASA-N 431.739 3.896 0 40 IHAB Cc1ccc(N(CCCC(=O)N2CCN(c3cccc(C)c3C)CC2)S(C)(=O)=O)cc1 408677288 CCZOEPREFZCLGH-UHFFFAOYSA-N 443.613 3.507 0 40 IHAB O=C(NCc1cccc(CN2CCCC2=O)c1)c1cc2cc(Br)ccc2[nH]1 642279434 KRSPIIGIVCFLHX-UHFFFAOYSA-N 426.314 3.983 0 40 IHAB CCOc1cccc2c1OCCCCCNC(=O)CN(C(=O)Cc1ccc(Cl)cc1)C2 643576392 WKFVNJWHYDROTN-UHFFFAOYSA-N 444.959 3.989 0 40 IHAB CC[C@H](c1ccccc1)c1nnc(NC(=O)Cc2csc(S[C@H](C)C(N)=O)n2)s1 1514806405 SNBRRZMYFURDLA-BXUZGUMPSA-N 447.611 3.684 0 40 IHAB COc1cccc(NC(=O)N(Cc2cc3ccc(C)cc3n3nnnc23)C[C@H]2CCCO2)c1 1367310 QRJPSSFBTVAZCJ-OAQYLSRUSA-N 446.511 3.808 0 40 IHAB CCOC(=O)c1cc(C(C)C)sc1NC(=O)CSc1nnc2nc(C)cc(C)n12 2644170 HHBASQRJSKOKQK-UHFFFAOYSA-N 433.559 3.834 0 40 IHAB O=C(COc1cccc2c1CCN(Cc1ccccc1F)C2=O)Nc1ccc2c(c1)OCO2 2716509 DAZBGPFVKCLNKJ-UHFFFAOYSA-N 448.450 3.770 0 40 IHAB C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4ccc(F)cc4)o3)cc2)C1 2723444 NJKFBDFKVDHPOO-AWEZNQCLSA-N 444.488 3.549 0 40 IHAB COc1ccc([C@H](C)N(C)C(=O)CN(C)[C@H](C)c2ccc(OC)c(OC)c2)cc1OC 3173396 GCRMSXABNVQDOU-SJORKVTESA-N 430.545 3.933 0 40 IHAB Cc1cc(=O)oc2cc(OCC(=O)Nc3ccc(N4CCOCC4)cc3)c(Cl)cc12 3245582 MEIIVMDMNQDAAZ-UHFFFAOYSA-N 428.872 3.609 0 40 IHAB CC(C)[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)OCc1nc2ccccc2s1 3404952 LZUHAOOBEDVZMB-SJFMBGHLSA-N 430.551 3.954 0 40 IHAB Cc1ccc(C(=O)N2CCN(c3ccc(NC(=S)NC(=O)C(C)(C)C)cc3)CC2)cc1 4122868 UXVZXVYRSYXOBJ-UHFFFAOYSA-N 438.597 3.817 0 40 IHAB CCOc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2cccc(Cl)c2C)CC1=O 6631512 GWZUZPKJDJKHQP-OAHLLOKOSA-N 430.888 3.582 0 40 IHAB CCn1c(COc2ccccc2C)nnc1SCC(=O)Nc1cccc(C(=O)OC)c1 6878412 BTGCBKYALFXSJN-UHFFFAOYSA-N 440.525 3.703 0 40 IHAB O=C(OCc1cc(=O)n2nc(-c3cccs3)sc2n1)c1ccccc1Br 8605603 AEXWIFGOAYQHMP-UHFFFAOYSA-N 448.323 3.999 0 40 IHAB COc1ccc(N(C(=O)COc2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 8683262 JZWNHFRNEPZCHU-UHFFFAOYSA-N 429.469 3.944 0 40 IHAB CCCCS(=O)(=O)Nc1ccc2c(c1)c1c(n2S(=O)(=O)CCCC)CCCC1=O 8715861 LAYCQQTXYVVFMG-UHFFFAOYSA-N 440.587 3.680 0 40 IHAB O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1nnc(-c2cc3ccccc3o2)o1 9169926 FGCVLHRNMPYUQY-UHFFFAOYSA-N 431.857 3.939 0 40 IHAB COc1cc(C(=O)n2nc(-c3cccnc3)nc2NCc2ccccc2)cc(OC)c1OC 9195207 FNBKUANKVZFPTE-UHFFFAOYSA-N 445.479 3.667 0 40 IHAB COc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3cccc4ccccc34)C2=O)cc1Cl 9466578 WCRIJVLOYUORRD-QHCPKHFHSA-N 437.883 3.908 0 40 IHAB COc1ccccc1-c1nnc(SCC(=O)N2CCCC2=O)n1-c1ccc(Cl)cc1 9508232 AZCPSNSFEYVDKW-UHFFFAOYSA-N 442.928 3.837 0 40 IHAB COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2C(F)(F)F)cc1OC 9540098 URWIVURXZHHPPY-GOSISDBHSA-N 435.402 3.989 0 40 IHAB COc1cc(OC)c(NC(=O)[C@H]2CS[C@@]3(c4cccs4)CCC(=O)N23)cc1Cl 9544899 JISGBUZOVZWBOK-BFUOFWGJSA-N 438.958 3.948 0 40 IHAB CC(C)[C@H](NC(=O)CSc1nnnn1C1CCCC1)c1ccc2c(c1)OCCCO2 9638683 VSQBVOCQDPOZHU-FQEVSTJZSA-N 431.562 3.555 0 40 IHAB CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2nc3c(oc4ccccc43)c(=O)[nH]2)C1=O 9640321 BMCXIJOMUUMNQI-JOCHJYFZSA-N 436.855 3.680 0 40 IHAB CCCn1cc(C(=O)Nc2ccc(OC)cc2OC)c2nn(-c3ccccc3)c(=O)c-2c1 9661540 PNSRXYJTKHAQCA-UHFFFAOYSA-N 432.480 3.818 0 40 IHAB NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 9724811 ZZFYXKOTMIIYTD-QFIPXVFZSA-N 442.544 3.908 0 40 IHAB O=C(NCCc1ccc2c(c1)OCCO2)c1ccc(OCc2cn3ccccc3n2)cc1 9731493 GCYUTNKBPCVGCD-UHFFFAOYSA-N 429.476 3.657 0 40 IHAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2cc(Cl)c(OC)c(OC)c2)c1C 9817840 AXGCBALIHPHOOT-GFCCVEGCSA-N 437.876 3.907 0 40 IHAB CCOc1cc(Nc2ccc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)cc2)nc(C)n1 12226291 LTDLDMPHOOWURN-UHFFFAOYSA-N 441.513 3.687 0 40 IHAB COc1ccccc1CCC(=O)N1CCC[C@H](c2nc3ccc(F)cc3cc2C(N)=O)C1 12255484 GYCITMVDZOULOE-KRWDZBQOSA-N 435.499 3.820 0 40 IHAB NC(=O)c1cc2cc(F)ccc2nc1[C@H]1CCCN(C(=O)Cc2cc(F)ccc2F)C1 12256100 PIGVDSHSTARJEL-ZDUSSCGKSA-N 427.426 3.700 0 40 IHAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CCC(C(=O)NCc2ccccc2)CC1 12782675 ZUVWYFZTYKNBEA-MRXNPFEDSA-N 429.948 3.704 0 40 IHAB O=C1CC[C@]2(C(=O)OCc3cc(-c4ccccc4)no3)N1c1ccccc1C(=O)N2C1CC1 12818872 QHOJARQPAMFZEP-RUZDIDTESA-N 443.459 3.526 0 40 IHAB COc1ccc(CCN2C[C@@H](C(=O)Nc3ccc4nc(C)sc4c3)CC2=O)cc1OC 13133643 XHFNKIGXEOLIQX-INIZCTEOSA-N 439.537 3.652 0 40 IHAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)N3CCCc4ccccc43)Oc3ccccc32)cc1 13632098 ALBRBBJMAXNUQI-DEOSSOPVSA-N 448.544 3.931 0 40 IHAB COc1ccc2c(c1)OC1(CCN(C[C@@H](O)c3ccc(Br)cc3)CC1)C[C@@H]2O 13998238 WFMHTROHQNRTAM-VQTJNVASSA-N 448.357 3.842 0 40 IHAB CCCCCc1nnc(NC(=O)c2cc(S(=O)(=O)NC(C)C)ccc2Cl)s1 14051162 XLFPJIHDPHVSDG-UHFFFAOYSA-N 430.983 3.863 0 40 IHAB Cc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)c(C)c1 14246262 QDCVQZWOTGPOCS-UHFFFAOYSA-N 428.598 3.980 0 40 IHAB CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccco3)cc2Cl)CC1 17099328 UXHWODGNBGFMAR-UHFFFAOYSA-N 434.949 3.509 0 40 IHAB COc1ccc(CCC(=O)NC2CCC(NC(=O)CCc3ccc(OC)cc3)CC2)cc1 17102645 CNQOEVRJHWREGY-UHFFFAOYSA-N 438.568 3.813 0 40 IHAB O=C(CC1CCCCC1)N1CCc2nc([C@@H]3CCCN3C(=O)C3CCC3)nc(O)c2C1 19014749 MJSRLJUTRVNGEC-FQEVSTJZSA-N 426.561 3.501 0 40 IHAB O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1Br)[C@@H](c1ccc(Cl)cc1)N1CCCN21 19171556 QJCURQTXLXBLPY-KURKYZTESA-N 446.732 3.638 0 40 IHAB COc1ccc(-c2noc([C@H]3CN(C(=O)Cc4coc5cc(C)ccc45)CCO3)n2)cc1 19221645 DBFHWNZUUQONFH-OAQYLSRUSA-N 433.464 3.942 0 40 IHAB O=C([C@@H]1CCCO1)N1CC[C@H](c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)C1 19344192 NSFYTVNBSDWQFC-WFASDCNBSA-N 436.459 3.972 0 40 IHAB COc1cccc(C(=O)N2CCNC(=O)[C@@H](Cc3cccc(-c4ccc(F)cc4)c3)C2)c1 19564628 TWLHLWLTCNCPKM-QFIPXVFZSA-N 432.495 3.932 0 40 IHAB CSCC[C@@H](NC(=O)c1csc2c1CCCC2)c1cc(=O)[nH]c(-c2cccnc2)n1 19574015 PINNZJODQIABQM-QGZVFWFLSA-N 440.594 3.996 0 40 IHAB COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2CCN(C(=O)c3cccc(N(C)C)c3)C2)cc1 19694798 WPIUIZNBOKKNPZ-HXUWFJFHSA-N 445.567 3.914 0 40 IHAB CC1CCN(C(=O)CN2CCC([C@@H]3CCCCN(Cc4ccccc4)C3=O)CC2)CC1 19744101 GSILLYAARSPCDW-DEOSSOPVSA-N 425.617 3.786 0 40 IHAB O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)Nc1ccc(F)c(F)c1F 20018801 BRJKOCBLHAXUJG-UHFFFAOYSA-N 442.459 3.732 0 40 IHAB CCc1ccc(C2=NN(C(=O)Cc3ccc(OC)c(OC)c3)[C@](O)(C(F)(F)F)C2)cc1 20035439 KDWKDHXFHGZXBU-OAQYLSRUSA-N 436.430 3.696 0 40 IHAB CCC[C@@]1(C(=O)OCC)N[C@@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 20150648 ASKYGVKMRJNGRU-OYSWMMLKSA-N 434.536 3.856 0 40 IHAB O=C(CSc1nc(O)c2c(n1)CCN(Cc1ccc(F)cc1)C2)Nc1ccc(F)cc1 20467792 PSXXXXJVQGEXEJ-UHFFFAOYSA-N 442.491 3.750 0 40 IHAB COC(=O)c1[nH]c2cccc(C)c2c1NC(=O)CN1CCN(C/C=C/c2ccccc2)CC1 20477038 KMCRWHVLXSQWBM-YRNVUSSQSA-N 446.551 3.532 0 40 IHAB CCOC(=O)c1cc(C)n(CC(=O)N(C)Cc2cc(Br)ccc2OC)c1C 20923139 KYRYLIZNZIXBGD-UHFFFAOYSA-N 437.334 3.711 0 40 IHAB CN(C)C(=O)c1ccc(NC(=O)COc2ccc3c(C(F)(F)F)cc(=O)oc3c2)cc1 22316893 PCTXJMSSEPWIKG-UHFFFAOYSA-N 434.370 3.531 0 40 IHAB COC(=O)c1ccccc1NC(=O)C1CCN(c2ccc(-c3ccccc3OC)nn2)CC1 23143285 ZRDYSZKXYVCVHH-UHFFFAOYSA-N 446.507 3.794 0 40 IHAB COCCCN1C(=O)C(O)=C(S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(C)cc1 24193002 GVOMRISTGVLJIW-SFHVURJKSA-N 435.929 3.812 0 40 IHAB Cc1ccc(S(=O)(=O)NC(C)C)cc1C(=O)N(C)Cc1ccccc1N1CCCCC1 24391678 LXESUMUVGPVDMU-UHFFFAOYSA-N 443.613 3.944 0 40 IHAB CC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2)c1 24610775 ITQYWBREIPQFOV-UHFFFAOYSA-N 434.945 3.723 0 40 IHAB CNS(=O)(=O)c1ccc(Br)c(C(=O)Nc2nc3ccc(C)cc3s2)c1 24978156 YRBKZSAZAMLCQQ-UHFFFAOYSA-N 440.344 3.528 0 40 IHAB CSCC[C@H](NC(=O)[C@H]1CCCN(C(=O)c2ccco2)C1)c1nc2ccccc2[nH]1 25316836 IRQFNSAFRUTZOZ-YJBOKZPZSA-N 426.542 3.619 0 40 IHAB CCOc1ccc(C(=O)Cn2nc(N)n(Nc3cccc(Br)c3)c2=S)cc1 28527422 LWQGVNJRJLHXPA-UHFFFAOYSA-N 448.346 3.916 0 40 IHAB C[C@H](NC(=O)Cn1c(S(C)(=O)=O)nc2ccccc21)c1ccc(Cl)cc1Cl 29591804 NHDPADXWYMXWPZ-NSHDSACASA-N 426.325 3.624 0 40 IHAB O=C(COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)Nc1ccc(F)cc1 34689400 HHEPNMHARPPJFI-UHFFFAOYSA-N 440.496 3.985 0 40 IHAB O=C(NCCc1ccc(Cl)cc1)[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O 36397609 GABSAXGMYKTVCN-QGZVFWFLSA-N 426.822 3.950 0 40 IHAB Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1 38849543 LGLGMIBRJZFNIT-KRWDZBQOSA-N 429.325 3.858 0 40 IHAB CCNc1nc(SCC(=O)c2ccc(CCNC(C)=O)c(F)c2)nc2ccccc12 40127774 DGOULBXDDUGABP-UHFFFAOYSA-N 426.517 3.854 0 40 IHAB Cc1cc(Br)oc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 40140169 UGWMOCMFSCDBIJ-UHFFFAOYSA-N 427.320 3.777 0 40 IHAB CSc1nn(CC(=O)Nc2cccc(F)c2)c(N)c1-c1nc(-c2cccc(C)c2)no1 46914650 XHSOKAGPISPVAY-UHFFFAOYSA-N 438.488 3.990 0 40 IHAB O=S(=O)(c1ccc2nncn2c1)N(Cc1ccc(Cl)cc1)c1ccc2c(c1)OCO2 49408390 ZWAXSMLAIOGPSY-UHFFFAOYSA-N 442.884 3.507 0 40 IHAB Cc1cc([C@]2(C)NC(=O)N(CC(=O)N3CC[C@H](C)Sc4ccccc43)C2=O)c(C)o1 58292446 UJBNAOANEDSKFI-FPTDNZKUSA-N 427.526 3.581 0 40 IHAB O=C(c1ccc2c(=O)[nH]c(S)nc2c1)N1CCC[C@@H]1c1ccc(Br)cc1 65514821 PMEYBJDHWGBGEP-MRXNPFEDSA-N 430.327 3.952 0 40 IHAB O=C(Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1)[C@H]1CC(=O)N(Cc2ccco2)C1 69055329 XIWGDCTZSSOIRY-IGMNZBQBSA-N 426.542 3.586 0 40 IHAB Cc1c(C(=O)N2CCCCC2)nnn1-c1cccc2c1CCN(Cc1ccccc1F)C2 69925613 HLPMALHORPOXBY-UHFFFAOYSA-N 433.531 3.899 0 40 IHAB Cc1cc(C)n(CCCC(=O)N2CCNC(=O)[C@H]2Cc2cccc(-c3cccc(F)c3)c2)n1 72351416 GSFBDHAGPLIBPQ-XMMPIXPASA-N 448.542 3.656 0 40 IHAB O=C1C[C@H](c2cnn3cccnc23)c2c(cc(O)c3c(=O)cc(-c4ccccc4)oc23)O1 96115714 SGQHNJWAHJFAPT-CQSZACIVSA-N 425.400 3.649 0 40 IHAB biogenic CCOc1ncc(C2(O)[C@H]3CCC[C@H]2CN(Cc2cc(C)ccc2OC)C3)c(OCC)n1 100732665 YRXVHRZAVPSTDA-PMACEKPBSA-N 441.572 3.711 0 40 IHAB O=C(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)NCCS(=O)(=O)c1ccccc1 103546253 LFJGHHYIIRANRY-JZFKGDSASA-N 440.403 3.701 0 40 IHAB COc1ccc(N2C(=O)[C@@H]3[C@H]4c5ccccc5C=CN4[C@@H](C(=O)c4ccco4)[C@@H]3C2=O)cc1 107177452 RWNHVTYCERGCSB-WBADGQHESA-N 440.455 3.687 0 40 IHAB O=C(CSC(=S)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)Nc1cccc(Cl)c1 113482382 JMECQACYUWGAIW-KBPBESRZSA-N 433.986 3.578 0 40 IHAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H](C)N(c1cccc(C)c1)S(C)(=O)=O 220150515 OSSIYDFCKWDVGM-JXFKEZNVSA-N 446.569 3.577 0 40 IHAB CC[C@@H](C(=O)NCc1ccc(F)cc1)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 220705913 HZYNEKGSELWTKL-KRWDZBQOSA-N 433.332 3.994 0 40 IHAB CCOc1cccc(NC(=O)[C@H](CC)N(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)c1 220751787 HDWNHYOMBBHBSE-SFHVURJKSA-N 440.949 3.931 0 40 IHAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1N1CCCC1=O 222962486 BCGLGMJXTRDIGH-MRXNPFEDSA-N 428.554 3.740 0 40 IHAB COc1ccc(C(=O)N2CCc3ccc(NS(=O)(=O)c4ccc(OC)cc4)cc32)cc1 222989687 UUDMYJRABDTJIM-UHFFFAOYSA-N 438.505 3.708 0 40 IHAB C[C@@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CCc1ccc2c(c1)OCO2 224108926 LKVKIXKQGAXYKE-IBGZPJMESA-N 436.552 3.867 0 40 IHAB COc1ccc(CN(C(=O)COc2ccccc2Cl)[C@@H](C)C(=O)NCC(C)C)cc1 224473462 OATOKFPCBHKISY-KRWDZBQOSA-N 432.948 3.917 0 40 IHAB Cn1c(=O)sc2cc(NC(=O)c3ccc(NS(=O)(=O)c4cccs4)cc3)ccc21 225046278 JORNJFPJEIKKNY-UHFFFAOYSA-N 445.547 3.715 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)COc3ccc(C)c(C)c3)CC2)cc1 225483074 ISVWFSCXKCTCIG-FQEVSTJZSA-N 444.597 3.596 0 40 IHAB CCCSc1nnc(NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)s1 225706244 LSMVKYQWZGODNN-UHFFFAOYSA-N 436.584 3.598 0 40 IHAB COc1ccccc1[C@H](C)NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 225855321 AXBLVQNRCJHKEO-LBPRGKRZSA-N 431.341 3.645 0 40 IHAB Cc1ccc(CNC(=S)Nc2nc(C)cc(N3CCN(c4ccccc4)CC3)n2)cc1 225946061 YMGWMUOTOPFJEB-UHFFFAOYSA-N 432.597 3.907 0 40 IHAB O=C(NCCc1ccccc1)[C@@H]1CN(C(=O)C2(c3ccccc3)CC2)c2ccccc2O1 225988837 DUWLRSAIBGNNKL-DEOSSOPVSA-N 426.516 3.871 0 40 IHAB C[C@H](OC(=O)CNC(=O)c1sc2ccccc2c1Cl)C(=O)N[C@H]1CCCC[C@H]1C 245228422 XDIKRBALKWNFBN-IPYPFGDCSA-N 436.961 3.911 0 40 IHAB COc1ccc(-c2nc3sc(=Cc4ccc(Cl)c(Cl)c4)c(=O)n3n2)cc1OC 254834459 JCZVZEIAMSYBMY-UHFFFAOYSA-N 434.304 3.690 0 40 IHAB CN1CCN(C(=O)c2n[nH]c3c2CCCC3)[C@@H](Cc2ccc(-c3cccs3)cc2)C1=O 257262565 LLXUNSOZSNLYBK-FQEVSTJZSA-N 434.565 3.543 0 40 IHAB O=C1N(Cc2ccsc2)CCO[C@]12CN(Cc1ccc(F)cc1)C[C@@H]2c1cccnc1 306124902 CBVLAKFNIALMSF-VWNXMTODSA-N 437.540 3.679 0 40 IHAB Cc1cc(C)cc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)cc2)c1 408656050 IIRWDRZSECQSQN-HTUUBCJYSA-N 446.503 3.634 0 40 IHAB CCOc1cc(/C=C2/NC(=O)NC2=O)c(Br)cc1OCc1cccc(F)c1 409042983 OVMKRXDVTLUUMY-VIZOYTHASA-N 435.249 3.746 0 40 IHAB COc1cccc(C(=O)N2CCC(C(=O)N3CCN(c4cccc(Cl)c4)CC3)CC2)c1 409051599 BKKRTEMPEVDQNO-UHFFFAOYSA-N 441.959 3.550 0 40 IHAB CCOc1c(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cccc1OC 409353986 WASYXTRBLLCQFL-LDADJPATSA-N 442.493 3.778 0 40 IHAB Cc1nc2cc([C@@H]3CCCN3C(=O)[C@H]3C[C@@H]3C)nn2c(C)c1CCC(=O)NC1CCCC1 409412790 FPKFMCMTQNOQCS-LVWPNOBMSA-N 437.588 3.657 0 40 IHAB Cc1cc(C(=O)NCCc2nnc3n2CCCCC3)c2cc(Br)ccc2n1 510929029 LCKIIXBIRQRJNJ-UHFFFAOYSA-N 428.334 3.596 0 40 IHAB Cc1ccc(-c2n[nH]c(C)n2)c(NC(=O)CN[C@H](C)c2cccc(N3CCCC3=O)c2)c1 540409339 DAQLDUXHFQRVII-MRXNPFEDSA-N 432.528 3.505 0 40 IHAB O=C(Cc1ccccc1)N1CCO[C@]2(C1)C(=O)N(Cc1cccs1)C[C@@H]2c1ccccc1 585107549 ZNWLOBURLYRCBS-BVAGGSTKSA-N 446.572 3.714 0 40 IHAB CCc1nnc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)o1 892317 AASZBWLUMXNTAT-UHFFFAOYSA-N 430.273 3.632 0 40 IHAB COc1ccccc1NC(=O)CSc1nc(N)c2c3c(sc2n1)COC(C)(C)C3 1875135 RUVNJSBEPRTHNI-UHFFFAOYSA-N 430.555 3.864 0 40 IHAB COC(=O)c1ccc(-n2c(N)c(C(=O)NCCC(C)C)c3nc4ccccc4nc32)cc1 2399243 PNWBUBKLBCFBAN-UHFFFAOYSA-N 431.496 3.718 0 40 IHAB O=C(CSc1nc2scc(C3CC3)c2c(=O)n1-c1ccccc1)NC[C@H]1CCCO1 2661793 PMSJFKMNMBKAHP-MRXNPFEDSA-N 441.578 3.712 0 40 IHAB Cc1cccc(NC(=O)CSc2nnc(-c3cccc(Br)c3)n2N)c1C 2684308 RWVFQIIGDFMGPG-UHFFFAOYSA-N 432.347 3.769 0 40 IHAB Cc1c(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3)o2)c(=O)n(-c2ccccc2)n1C 3278394 GKDIAVPMGISXAJ-OAHLLOKOSA-N 435.509 3.654 0 40 IHAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)COc1ccc(C(=O)c2ccccc2)cc1 3429972 RJXUHSAKMIENGZ-UHFFFAOYSA-N 448.494 3.600 0 40 IHAB CCCCn1c(=O)c(CCC(=O)OCC(=O)N2c3ccccc3C[C@H]2C)nc2ccccc21 3437339 ZZHNSFZIJIYQRJ-GOSISDBHSA-N 447.535 3.650 0 40 IHAB COc1ccc(Br)cc1CN1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O 8752714 VFOFMRNKVIXRCC-OAQYLSRUSA-N 429.314 3.914 0 40 IHAB O=C(c1ccc(Cl)cc1)N(Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 9292200 DCFPELMTUFWMMS-KRWDZBQOSA-N 442.762 3.932 0 40 IHAB CC1(C)Cc2nc3oc4c(=O)n(CC(=O)Nc5ccc(Cl)cc5)cnc4c3cc2CO1 9293725 IUFHHTQPUSXQBT-UHFFFAOYSA-N 438.871 3.681 0 40 IHAB Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2C(C)(C)CO[C@@H]3c2cccc(O)c2)cc1 9429734 ZZDWAVZMRFWYCW-HSZRJFAPSA-N 445.519 3.574 0 40 IHAB Cc1ccsc1CN(C(=O)COc1ccc(C(C)(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 9431287 GYCOBHFSYSEATH-GOSISDBHSA-N 435.611 3.949 0 40 IHAB COc1ccccc1S(=O)(=O)NCc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1 9596036 CHWXHWBTVABXJO-MRXNPFEDSA-N 442.512 3.804 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cc1c(F)cccc1Cl 9704139 WHTHYFLCRGPKSE-UHFFFAOYSA-N 440.924 3.844 0 40 IHAB C[C@H](Sc1nnc(Cc2ccccc2)n1-c1ccc(F)cc1)C(=O)NC[C@H]1CCCO1 9729724 ZQJAWOJGLFRUIQ-OXJNMPFZSA-N 440.544 3.773 0 40 IHAB CCN(CC)CCCn1c2c(c(SCC(=O)Nc3ccc(C)c(F)c3)nc1=O)CCC2 9746358 TYSSZIARVCMBBE-UHFFFAOYSA-N 446.592 3.642 0 40 IHAB COc1ccccc1NC(=O)CSc1nccn(-c2ccc(Br)cc2)c1=O 9761494 MWCYPEUIDJCMOE-UHFFFAOYSA-N 446.326 3.734 0 40 IHAB O=C(Nc1cccc(F)c1)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 9974408 UQGMQQYKIADHSU-ZDUSSCGKSA-N 441.322 3.628 0 40 IHAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H](C)Sc1nnc(-c2ccc(Cl)cc2)n1N 10215997 SOYWZDUTKSGYKD-LSDHHAIUSA-N 429.977 3.930 0 40 IHAB COc1ccc(N([C@H](C)C(=O)N[C@@H](C)CCc2ccccc2)S(C)(=O)=O)cc1Cl 10328732 IARZHWAVSVYDOV-JKSUJKDBSA-N 438.977 3.641 0 40 IHAB C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)c1ccccn1 10557454 WWJQPAXTXOJXRS-CYBMUJFWSA-N 442.368 3.667 0 40 IHAB COc1cc2c(cc1NC(=O)c1ccccc1CN1C(=O)CNC1=O)oc1ccccc12 10642248 CUPOOPQPGIZSQD-UHFFFAOYSA-N 429.432 3.899 0 40 IHAB CCc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc1 12137194 LNCUCTFUKGTOBF-HNNXBMFYSA-N 429.498 3.752 0 40 IHAB Cc1ccccc1COc1cn(CC(=O)Nc2ccccc2C(F)(F)F)c(CO)cc1=O 12231271 QRDIORFCQQPVHX-UHFFFAOYSA-N 446.425 3.886 0 40 IHAB COc1ccc(N(C(=O)c2csnn2)[C@@H](C(=O)NC(C)(C)C)c2ccc(F)cc2)cc1 12637795 ZJEYXUKTBHEEGN-LJQANCHMSA-N 442.516 3.989 0 40 IHAB C[C@@H]1Sc2ccc(C(=O)Nc3ccc4nc(N5CCOCC5)sc4c3)cc2NC1=O 12688923 AIJBBEJGFGTUCW-LBPRGKRZSA-N 440.550 3.818 0 40 IHAB Cc1onc(C(C)C)c1C(=O)N[C@@H]1CC(C)(C)Cc2nc(N3C[C@@H](C)O[C@H](C)C3)ncc21 12736350 GGPXSXALZIEERE-IIDMSEBBSA-N 441.576 3.954 0 40 IHAB Cc1cccc(NC(=O)CNC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C 12764616 RNSTVEUMOAWESV-UHFFFAOYSA-N 434.462 3.689 0 40 IHAB C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 12797726 ZZKURXAWZTXLPO-KBPBESRZSA-N 446.910 3.502 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)CCNC(=O)C(C)(C)C)cc2)cc1C 12853665 UMWQKBDCHQEUNN-UHFFFAOYSA-N 446.569 3.586 0 40 IHAB COc1cccc(CN(C)C(=O)CNC(=O)c2sc3ccccc3c2Cl)c1OC 12914552 FREWVHOOSYWNFS-UHFFFAOYSA-N 432.929 3.960 0 40 IHAB CCCN(Cn1nc(Nc2ccccc2Cl)sc1=S)[C@@H]1CCS(=O)(=O)C1 12924438 CDSDFFNEIYIYSC-GFCCVEGCSA-N 433.024 3.928 0 40 IHAB CCCCOc1ccc(C(=O)N2CCN(c3ccc(-n4nc(C)c(C)c4C)nn3)CC2)cc1 13009011 RZVROORMTZHOHO-UHFFFAOYSA-N 448.571 3.729 0 40 IHAB COc1ccc2oc(C(=O)N(Cc3nc4ccccc4c(=O)[nH]3)C[C@H]3CCCO3)c(C)c2c1 13010946 UJEZPVCXWXLPOQ-QGZVFWFLSA-N 447.491 3.808 0 40 IHAB Cn1cc(-c2cc(C(=O)N3CCC[C@@H]([C@H]4CC(=O)c5cc(Cl)ccc5O4)C3)no2)cn1 13265501 GGBHGEWYJBMQQO-ZUOKHONESA-N 440.887 3.615 0 40 IHAB Cc1c(NC(=O)CSc2nnc(-c3cccs3)s2)c(=O)n(-c2ccccc2)n1C 13495696 SSBDLQCMPLENFM-UHFFFAOYSA-N 443.579 3.795 0 40 IHAB CCCc1cc(=O)oc2c(C)c(OCC(=O)CCN3C(=O)c4ccccc4C3=O)ccc12 13656352 IGHFPBWXGPAGEX-UHFFFAOYSA-N 433.460 3.688 0 40 IHAB COc1ccc(NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2OC)cc1 13773772 NOKJOCKDOIHCAL-DEDYPNTBSA-N 446.459 3.842 0 40 IHAB NC(=O)[C@H]1CCCCN1CC(=O)N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccccc1 14116741 CGBDDCGPZCYWCG-JWQCQUIFSA-N 440.547 3.857 0 40 IHAB CCN1c2ccccc2-c2nc(SCC(=O)Nc3cccc(F)c3)ncc2S1(=O)=O 15731759 YCUMUHQARXDCQY-UHFFFAOYSA-N 444.513 3.542 0 40 IHAB Cc1c(C(=O)N2CCN(CCc3ccncc3)CC2)oc2ccc(Br)cc12 15833097 YOIDMJGTAQXQJK-UHFFFAOYSA-N 428.330 3.899 0 40 IHAB COc1ccc(C2=NO[C@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)c2ccccc2)cc1OC 15971787 OKJZJSRGAFIJLG-OFVILXPXSA-N 428.444 3.785 0 40 IHAB CCOC(=O)c1c(NC(=O)CSc2nnc(C3CC3)n2C2CC2)oc(C)c1C(C)=O 18018856 CGUOHYTVDKRSBF-UHFFFAOYSA-N 432.502 3.502 0 40 IHAB COc1ccccc1O[C@@H](C)C(=O)N1CCC[C@H]([C@@H]2C[C@H](C(F)F)n3nc(C)cc3N2)C1 19127380 KFZNIZSATYIFAU-XLAORIBOSA-N 448.514 3.897 0 40 IHAB CCN1CCN(C(=O)c2ccc(OC)nc2)C[C@@H](Cc2ccc(-c3cccs3)cc2)C1=O 19527430 ARMTUVSVKXEWCZ-OAQYLSRUSA-N 449.576 3.982 0 40 IHAB COc1ccc(OC)c([C@@H]2CN(Cc3ccccc3)C[C@H]2NC(=O)c2scnc2C)c1 19562347 VGYIHYRZPJPXGO-LEWJYISDSA-N 437.565 3.867 0 40 IHAB COCc1ccc(OC)c(CN2CCO[C@H](c3c(C(N)=O)sc4ccccc34)C2)c1 19697613 TYLRYFHDBYESEM-IBGZPJMESA-N 426.538 3.729 0 40 IHAB CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@H]1c1ccccn1 19820396 DSMDTJHNZVTDDV-VXKWHMMOSA-N 426.476 3.747 0 40 IHAB COc1ccc(-c2nc(COC(=O)CCn3nc(-c4cccs4)oc3=O)cs2)cc1 21738629 AKTBSSKBFIQRAL-UHFFFAOYSA-N 443.506 3.830 0 40 IHAB CN(c1ccc(OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)S(C)(=O)=O 22230589 MPNDACFOJOHOPJ-UHFFFAOYSA-N 436.839 3.772 0 40 IHAB O=C(Cn1nc2c(c1NC(=O)c1ccccc1Cl)CSC2)NCc1ccccc1 23139494 DEKVIEIHKAGRHS-UHFFFAOYSA-N 426.929 3.852 0 40 IHAB COc1ccc([C@@H](CNC(=O)c2ccccc2C(=O)c2ccccc2)N2CCOCC2)cc1 23934991 KBRUMEKGPKAHCR-RUZDIDTESA-N 444.531 3.730 0 40 IHAB C[C@H](OC(=O)c1cccnc1Oc1ccccc1)C(=O)N1CCN(Cc2ccccc2)CC1 24103938 LYYPSUDUKXAVJW-FQEVSTJZSA-N 445.519 3.764 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)NC[C@@H](c1cccs1)N1CCOCC1 25458243 QSYRLCPBBTYINR-NEQMZLFVSA-N 436.581 3.754 0 40 IHAB O=C(CNc1cccc(OCc2ccc(F)cc2)c1)NC(=O)NCCc1cccs1 26787784 USWIPSJOGINIAC-UHFFFAOYSA-N 427.501 3.947 0 40 IHAB CCOc1ccc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3cccc(C)c3)CC2)cc1 30849440 FWNDTHVXCOWXAY-LJQANCHMSA-N 444.597 3.813 0 40 IHAB CCN(CC)[C@@H](C)CNC(=O)Nc1ccc(C)c(NC(=O)NC[C@H](C)N(CC)CC)c1 31099372 ZWYVTDQQXFPBGO-OALUTQOASA-N 434.629 3.699 0 40 IHAB CCOC(=O)C[C@@H](c1ccc(F)cc1)C1CCN(Cc2cc(=O)n3ccsc3n2)CC1 31557212 IELVBGVRIZAFBM-FQEVSTJZSA-N 443.544 3.844 0 40 IHAB O=C(Cn1nc2c(c1NC(=O)CCc1ccccc1)CSC2)NCCc1ccccc1 35596870 ZDBAGHDGWHFJFL-UHFFFAOYSA-N 434.565 3.560 0 40 IHAB O=S(=O)(c1c(N2CCc3ccccc3C2)ccc2nonc12)N1CCc2ccccc2C1 35606317 HUNPLMVHFPXSTO-UHFFFAOYSA-N 446.532 3.533 0 40 IHAB O=C(CSc1nc2ccccc2s1)N1CCN(c2ccc(-c3ccco3)nn2)CC1 38488036 KFKQDHIBCQEDQA-UHFFFAOYSA-N 437.550 3.787 0 40 IHAB O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1cccs1)c1nc2ccccc2s1 38561555 UEJCZMSMMUSACD-CQSZACIVSA-N 435.596 3.721 0 40 IHAB Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4cccc(Cl)c4)[nH]c(=O)c32)c(F)c1 40399425 QHAOZRATCJAMHZ-CYBMUJFWSA-N 441.850 3.679 0 40 IHAB COc1cccc(NC(=O)Cn2c(=O)n(-c3cccc(Cl)c3)c(=O)c3sccc32)c1 57491363 HNBPLVURSIXKOY-UHFFFAOYSA-N 441.896 3.515 0 40 IHAB Cc1ncc(CN(C)C(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)s1 58265672 AOWCTLBKDJOLPD-UHFFFAOYSA-N 444.582 3.936 0 40 IHAB CC(=O)N1CCc2cc(S(=O)(=O)Nc3cc(C(C)(C)C)nn3-c3ccccc3)ccc21 58366012 RIUQJKIWXIDVDL-UHFFFAOYSA-N 438.553 3.880 0 40 IHAB COc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CCCN(c2ccc(-n3ccnc3)nn2)C1 62022864 ARXCAEXVBZAKGI-CQSZACIVSA-N 446.433 3.545 0 40 IHAB COc1ccc(NC(=O)[C@@H]2C[C@H]3CCCN3[C@]23C(=O)Nc2c(C)cc(Cl)cc23)cc1 64137038 NXXMKOFORGUWMC-ICPLQIHGSA-N 425.916 3.927 0 40 IHAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1 64982512 MQKNRTSNZRPFNL-OAHLLOKOSA-N 431.539 3.967 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)C2(C(=O)N[C@@H](C)c3ccc4c(c3)CC(=O)N4)CCCC2)c1 65521972 PGMVRMBGQWGFNO-KRWDZBQOSA-N 440.565 3.762 0 40 IHAB COc1ccc(-c2nc(C)cc(=O)n2CC(=O)Nc2cccc(Br)c2)cc1 67198597 UDBLDUBXYXIUKV-UHFFFAOYSA-N 428.286 3.629 0 40 IHAB CN(C(=O)CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1nccs1 71953357 HFQMIRDKOAHZHE-UHFFFAOYSA-N 442.535 3.791 0 40 IHAB CCC(=O)N1CCc2cc([C@@H](O)CN3CCC[C@](O)(c4ccc(F)cc4)CC3)ccc21 72343045 IKSYYFFPOGVAQM-UKILVPOCSA-N 426.532 3.532 0 40 IHAB CCN1CCN(C(=O)Cc2cccnc2)[C@@H](Cc2ccccc2-c2ccc(F)cc2)C1=O 72351638 FPHAJMMEHGADQD-DEOSSOPVSA-N 431.511 3.732 0 40 IHAB CN1CCC(CN(C)C(=O)c2cccc(-c3ccc(C[C@@H]4CCCNC4=O)cc3)c2)CC1 72356329 FAIVRKZPNGLAJI-DEOSSOPVSA-N 433.596 3.836 0 40 IHAB Cc1nc([C@@H]2CCCN2C(=O)C2CCCC2)nc2c1CC(=O)N2CCc1ccccc1F 72371912 AARJKTBLFXICEI-NRFANRHFSA-N 436.531 3.910 0 40 IHAB O=C(N[C@H](CO)c1ccccc1)C1(Cc2cc(-c3ccc(F)cc3F)no2)CCOCC1 72394560 ZJNVJKIBDNFKCH-JOCHJYFZSA-N 442.462 3.809 0 40 IHAB O=C(c1ccccc1Br)N1CCN(Cc2nncn2C2CCCCC2)CC1 77197343 OEVKGANMXIUJPW-UHFFFAOYSA-N 432.366 3.504 0 40 IHAB O=C(NCc1ccccc1)NC1(C(=O)NCCSCc2ccnc(Cl)c2)CCCC1 95458534 WOVLAEXDCZHAQX-UHFFFAOYSA-N 447.004 3.897 0 40 IHAB Cc1cccc(C(=O)N2CCC3(CC2)C[C@H](CC(=O)NCC2CC2)c2ccccc2O3)n1 96053123 YFOFINLISKSMGP-FQEVSTJZSA-N 433.552 3.847 0 40 IHAB COc1ccc(CCNC(=O)[C@H]2C[C@@H]3CC[C@]2(C)C[C@]32NC(=O)c3ccccc3N2)cc1 100117173 JFVRXAQSODJUJU-JZSYQYRNSA-N 433.552 3.732 0 40 IHAB C[C@@H](NC(=O)CSc1nc2ncccc2c(=O)n1-c1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2 104677800 RSDYBMOSBIIIHW-NHAYFPRASA-N 434.565 3.814 0 40 IHAB CC(C)CNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 104741803 KKOHCUVXMYLOJZ-GBESFXJTSA-N 449.617 3.540 0 40 IHAB CC[C@H](NC(=O)CCCN(c1ccccc1OC)S(C)(=O)=O)c1ccc(OC)cc1 113968479 LKYQZAJPXHTNJQ-IBGZPJMESA-N 434.558 3.518 0 40 IHAB 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Cc1ccc(CS(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1 224548174 KWIPQPCRWKCFBW-UHFFFAOYSA-N 434.514 3.877 0 40 IHAB CSc1ccccc1NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1 225120857 WOWMUNPENWRHPI-UHFFFAOYSA-N 440.959 3.967 0 40 IHAB COc1ccc(CCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC(C)C)cc1OC 225492419 GQXWJQXDCCWAKF-LJQANCHMSA-N 426.557 3.887 0 40 IHAB O=c1sc2cc(S(=O)(=O)Nc3cccnc3)ccc2n1Cc1ccccc1Cl 225798811 NTCLNXZRZNMYJP-UHFFFAOYSA-N 431.926 3.961 0 40 IHAB O=C(C1CC1)N1CCc2cc([C@H](O)CN3CCC[C@](O)(c4ccc(F)cc4)CC3)ccc21 247763307 IWAYUNFKXVQRMW-AOYPEHQESA-N 438.543 3.532 0 40 IHAB CCOc1ccc(N([C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)S(C)(=O)=O)cc1 260843576 ZSAYJSQTFDMVIT-MSOLQXFVSA-N 444.597 3.996 0 40 IHAB COC[C@H](C)NC(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(C)cc1 408563371 MALUMFRFWGKGQR-AWEZNQCLSA-N 445.368 3.648 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2F)C1 408595858 VLIHPHNQHYYGRX-ZDUSSCGKSA-N 426.897 3.527 0 40 IHAB CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 408605836 NRHLCBXQHRQSSO-INIZCTEOSA-N 426.494 3.793 0 40 IHAB O=C(NC1CC1)C(=O)Nn1c(C(=O)Nc2ccccc2Cl)cc2cc(Cl)ccc21 408606401 LWRCQZOQQXQHRD-UHFFFAOYSA-N 431.279 3.549 0 40 IHAB O=C(NCCCn1ccnc1)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 408612181 ULQXZIAPKQWVOI-XMMPIXPASA-N 434.565 3.520 0 40 IHAB CCc1ccccc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@H]3C[C@@H](C)CC[C@H]3C2=O)cc1 408662225 NPMNHRUUXNJTJY-DQLDELGASA-N 448.519 3.970 0 40 IHAB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3cccs3)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1 408665044 ZHZARUNIRSCDEO-IRXDYDNUSA-N 442.924 3.983 0 40 IHAB O=C(COC(=O)c1cccc(NC(=O)C(F)(F)F)c1)Nc1ccc(Br)cc1 408671226 YWAAMYLPDPRRTI-UHFFFAOYSA-N 445.191 3.745 0 40 IHAB Cc1cc(C)cc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)CCCC4=O)c(C)c3)CC2=O)c1 408672976 VWOBRURZPJARCU-GOSISDBHSA-N 434.492 3.614 0 40 IHAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1S(=O)(=O)N1CCCC1 408697923 MVCJRCSRDQEVEX-UHFFFAOYSA-N 438.933 3.784 0 40 IHAB COc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)c1OC 409355560 CNGQMMKNEFIBBI-WOJGMQOQSA-N 426.494 3.996 0 40 IHAB C[C@H](c1cccnc1)N1CCN(C(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)CC1 607721245 SVHHCFLHOKRZQP-MRXNPFEDSA-N 425.920 3.623 0 40 IHAB CC(=O)N1CCCN(C)CCN(C(=O)c2ccc(C)c(-n3cccn3)c2)Cc2ccccc21 643554743 YSCYVQHOPMKUJP-UHFFFAOYSA-N 445.567 3.512 0 40 IHAB CC1(C)NC(=O)N(c2cccc(NC(=O)CCCc3ccc4c(c3)OCCCO4)c2)C1=O 1540059060 GEFJDDGPPVZGKB-UHFFFAOYSA-N 437.496 3.644 0 40 IHAB COc1cccc(NC(=O)N2C[C@H]3C[C@H](Oc4cnccn4)[C@@H](n4ccnc4C)C[C@H]3C2)c1 2332242539 OEIXTBUJAGUODF-UDKICSLYSA-N 448.527 3.553 0 40 IHAB COc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 1003899 OIEZFESKJVBTSN-UHFFFAOYSA-N 426.494 3.538 0 40 IHAB Cc1c(NC(=O)[C@H](C)Oc2ccc(Br)cc2)c(=O)n(-c2ccccc2)n1C 3417939 IYZCNDKUSPZJBJ-AWEZNQCLSA-N 430.302 3.653 0 40 IHAB CC(=O)O[C@@H]1C[C@]2(C)[C@H](C(C)=O)CC[C@@H]2[C@H]2CC[C@H]3CC4(CC(=O)[C@]3(C)[C@H]12)OCCO4 4039086 RUQBPCMPFRJFIH-HUKRRQNXSA-N 432.557 3.698 0 40 IHAB CCCCC(=O)NC(=S)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1 4109725 KPPUVPQHIYHTBX-UHFFFAOYSA-N 430.599 3.714 0 40 IHAB CCCOc1ccc(N2C(=O)C[C@@H](N3CCC(Nc4ccc(F)cc4)CC3)C2=O)cc1 4594153 NTQWYCFNPRBDKI-JOCHJYFZSA-N 425.504 3.823 0 40 IHAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccc(OC)cc3)C(=S)NCCOC)cc2c1 6197797 BGPAJTGWJMSUFV-UHFFFAOYSA-N 439.581 3.622 0 40 IHAB O=C1COc2ccc(C(=O)CSc3nnc4c(Cl)cc(C(F)(F)F)cn34)cc2N1 8752057 OPLGODYOCYSVNN-UHFFFAOYSA-N 442.806 3.707 0 40 IHAB O=C(NCCc1c[nH]c2ccc(Cl)cc12)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 9134460 PTLSESFKQIJZQU-KRWDZBQOSA-N 445.972 3.581 0 40 IHAB Cc1c(-c2nc(-c3ccc4c(c3)OCO4)no2)nnn1-c1ccccc1Br 9300447 FJMDZVXJLNVYJJ-UHFFFAOYSA-N 426.230 3.784 0 40 IHAB Cc1ccccc1CSC1=NCCN1C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 9381046 BJDRACGAARTHCT-UHFFFAOYSA-N 443.594 3.525 0 40 IHAB Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 9508974 XJKMZZYBWYHCIU-UHFFFAOYSA-N 448.523 3.576 0 40 IHAB C[C@H](Sc1nnc([C@@H](C)Oc2ccc(F)cc2)o1)C(=O)NCc1ccc2c(c1)OCO2 9729846 QIPWWGMFDTYGJO-OLZOCXBDSA-N 445.472 3.874 0 40 IHAB COc1ccc(OC)c(C(=O)CSc2nc3ccccc3c(=O)n2C[C@H]2CCCO2)c1 9949607 DGECLROXRARGKY-MRXNPFEDSA-N 440.521 3.568 0 40 IHAB Cc1cc(C(=O)CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)c(C)n1[C@H](C)c1ccccc1 10024137 XKWNXZITYMZANI-GOSISDBHSA-N 443.503 3.888 0 40 IHAB CCN(CC(=O)Nc1c(Cl)cccc1Cl)CC(=O)N1CCN(c2ccccc2)CC1 10057055 LXRMDUKHIOPOOW-UHFFFAOYSA-N 449.382 3.603 0 40 IHAB CCOc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2CCOC)cc1 10133085 OYHDUTIAZOYSPU-UHFFFAOYSA-N 426.542 3.645 0 40 IHAB Cc1ccc(NC(=O)CSc2nc(=O)n(Cc3ccncc3)c3c2CCCC3)cc1F 10186675 ZXTIDLUHZJOEDZ-UHFFFAOYSA-N 438.528 3.744 0 40 IHAB Cc1ccc(SCCNC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1 10434163 LDJLAWZYOCNXNY-UHFFFAOYSA-N 434.627 3.967 0 40 IHAB COc1ccc(S(=O)(=O)NCCCc2ccc(F)cc2)cc1C(=O)N1CCCCCC1 10543328 CDRAIJHXYRXQKX-UHFFFAOYSA-N 448.560 3.762 0 40 IHAB Cc1cc(I)ccc1NC(=O)CNc1ccccc1C(=O)NC1CC1 10755082 YUQGVQPBOYJNEM-UHFFFAOYSA-N 449.292 3.542 0 40 IHAB CC(=O)NCCc1ccc(-c2csc(NC(=O)COc3ccc4c(c3)CCC4)n2)cc1 11453883 JSVVIWPXCSQHKG-UHFFFAOYSA-N 435.549 3.995 0 40 IHAB O=C(CCS(=O)(=O)c1ccccc1)Nc1nc2ccc(Br)cc2s1 12080558 SXTPJAXDADJMHL-UHFFFAOYSA-N 425.329 3.861 0 40 IHAB CCOC(=O)c1cnc(S[C@H](C)C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)nc1N 12517139 OVQPXMLZCOFUBC-GFCCVEGCSA-N 430.530 3.584 0 40 IHAB Cc1ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1 12782869 JRDHZEQHJNKQSP-RXVVDRJESA-N 439.556 3.858 0 40 IHAB C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)N[C@H](c2ccccc2)c2cccs2)C1=O 12785901 SJNOFRGPJPHHLT-RCZVLFRGSA-N 447.560 3.897 0 40 IHAB O=C(CCc1ccc2c(c1)OCO2)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 12804875 GSAOGVUXWZOFGG-UHFFFAOYSA-N 441.487 3.813 0 40 IHAB COc1ccccc1CNC(=O)CSc1ccccc1C(=O)OCC(=O)C(C)(C)C 12906437 FIGDWYAMQGWUJV-UHFFFAOYSA-N 429.538 3.876 0 40 IHAB COc1ccc(N(CCC(=O)N2CCCCC2)S(=O)(=O)c2cccc(Cl)c2)cc1 12922253 MXCCFCZRTUPHKL-UHFFFAOYSA-N 436.961 3.947 0 40 IHAB CCc1ccc([C@H](C)NCC(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2C)cc1 12981877 LDCPHRPZILFIIZ-SFHVURJKSA-N 431.602 3.877 0 40 IHAB Cc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2CCCCCC(N)=O)s1 13002115 WPOWVZPMTKMUNB-UHFFFAOYSA-N 429.567 3.787 0 40 IHAB CSCC[C@H](NC(=O)c1ccco1)C(=O)OCc1cc(=O)oc2cc(C)c(Cl)cc12 13038262 PEUUBPFVURCGFK-INIZCTEOSA-N 449.912 3.943 0 40 IHAB O=C(CSc1nnnn1C1CCCC1)N1CCC[C@H](c2nc3ccccc3s2)C1 13114698 JGJXTPGMVVCIBF-AWEZNQCLSA-N 428.587 3.896 0 40 IHAB CC(C)(C)C(=O)[C@H]1[C@H]2C(=O)N(C(C)(C)C)C(=O)[C@@H]2[C@H]2C=Cc3ccc4cccnc4c3N21 13656464 NSYYOCZKQDTUGG-DCXXXQMHSA-N 431.536 3.834 0 40 IHAB C[C@@H](NC(=O)CSc1n[nH]c(/C=C/c2ccc(F)cc2)n1)c1ccc2c(c1)OCCO2 14174645 YESSBXQAMNPJGJ-CEOUIICOSA-N 440.500 3.855 0 40 IHAB CCCOC(=O)c1ccc(NC(=O)[C@H](CC(C)C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 14244524 IQJTYTKCRBOFML-ZCNNSNEGSA-N 426.513 3.558 0 40 IHAB COC(=O)C[C@@H](NC(=O)C1=Cc2cc(Cl)ccc2OC1)c1ccc(OC)c(OC)c1 16181933 SVZQGHIPOUWTNE-QGZVFWFLSA-N 431.872 3.554 0 40 IHAB Cc1ccccc1-c1nc(-c2ccc(C(N)=O)cc2)ncc1-c1nnnn1-c1ccccc1 16363060 GWTTZLMVXHXQNJ-UHFFFAOYSA-N 433.475 3.861 0 40 IHAB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)c1 17605295 PAVARZBVNLFRCP-UHFFFAOYSA-N 449.532 3.891 0 40 IHAB C[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccc2c(c1)OCCO2 18110033 WSDAMTGFONVJCQ-MRXNPFEDSA-N 438.505 3.750 0 40 IHAB Cn1ccnc1[C@@H](NC(=O)c1cccc(I)c1)c1cccc(F)c1 18235942 PJUVUSZQILTPFT-INIZCTEOSA-N 435.240 3.683 0 40 IHAB CS(=O)(=O)c1nc2ccccc2n1CC(=O)N[C@H](c1ccc(F)cc1)c1cccs1 18381072 LOLLRIRVFTXSGF-HXUWFJFHSA-N 443.525 3.546 0 40 IHAB COc1ccccc1C(=O)N1CCO[C@](Cc2cccc(-c3ccc(C)cc3)c2)(C(N)=O)C1 19212735 ZQQIVUWIKJPEQQ-MHZLTWQESA-N 444.531 3.610 0 40 IHAB Nc1nc2c(cc1C(=O)Nc1ccc(F)cc1)CN(C(=O)c1cccc3cccnc13)CC2 19701063 QBRCEJNTWXDNEJ-UHFFFAOYSA-N 441.466 3.802 0 40 IHAB C/C(=C\c1ccccc1)CN1Cc2cn(C)nc2[C@H](C(=O)NCCc2ccc(F)cc2)C1 19701248 VYPKOOJSIHKOEM-JOLWTXHASA-N 432.543 3.921 0 40 IHAB Cc1ccc(C2(C(=O)N(C)Cc3nc([C@H]4CCCNC4)cc(N(C)C)n3)CCCC2)cc1 19709989 NSPYJBZOZIEXOO-FQEVSTJZSA-N 435.616 3.788 0 40 IHAB CC(=O)N[C@H]1C[C@@H](CCNC(=O)c2sc(C)nc2C)O[C@@H](c2cc(F)cc(F)c2)C1 19712439 ZJAQIMVFZKUNTR-IPMKNSEASA-N 437.512 3.583 0 40 IHAB CCN(CC)CC(=O)N1CCCC[C@@H]1c1ncc(C(=O)Nc2ccc(F)cc2)c(C)n1 19764891 CWILYYALEICDGM-HXUWFJFHSA-N 427.524 3.572 0 40 IHAB CN(C(=O)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1)C1CCCCC1 20038474 SWTNTWIQVOFSPQ-QFIPXVFZSA-N 428.554 3.575 0 40 IHAB CCOc1cc(C(=O)OCC(=O)N2CCCc3ccccc32)cc(Br)c1OC 21970282 YRZRLZYKZZTECT-UHFFFAOYSA-N 448.313 3.993 0 40 IHAB CCOc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccco1)N1CCc2ccccc2C1 22907609 ONJBDYDRDLDSDI-NRFANRHFSA-N 433.508 3.533 0 40 IHAB Cc1nc2sc([C@@H](c3ccc(F)cc3)N3CCN(c4ccccc4F)CC3)c(O)n2n1 23157542 XWSIZWDVZWACEH-LJQANCHMSA-N 441.507 3.995 0 40 IHAB C[C@@H](CNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)c1ccccc1 24034394 BTFLDGMPILOLFC-SFHVURJKSA-N 426.513 3.941 0 40 IHAB CN1C(=O)c2ccc(NC(=O)Cc3csc4nc(-c5ccc(F)cc5)cn34)cc2C1=O 24696496 LAHVKIJPDSIFSR-UHFFFAOYSA-N 434.452 3.609 0 40 IHAB COc1ccc(Cn2c(SCC(=O)OC(C)(C)C)nc3ccccc3c2=O)cc1OC 24982806 GIPLIPCKBBVYQO-UHFFFAOYSA-N 442.537 3.896 0 40 IHAB COc1ccc([C@H]2CCCN2C(=O)CCn2cnc3sc(C)c(C)c3c2=O)cc1OC 25618677 GXPWQSHJFGHUAB-QGZVFWFLSA-N 441.553 3.846 0 40 IHAB C[C@@H](Sc1nnc(N2CCCC2)n1Cc1ccco1)C(=O)N1c2ccccc2C[C@H]1C 25944873 IFACDECLFLQXPL-IAGOWNOFSA-N 437.569 3.978 0 40 IHAB CCn1c(=O)c2ccccc2n2c(COc3ccccc3C(=O)Nc3ccccc3)nnc12 29272772 QLZCRVFWXKMIMA-UHFFFAOYSA-N 439.475 3.895 0 40 IHAB CN(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)[C@H]1CCc2ccccc21 29488121 YMAVGZSPXDAMKI-QHCPKHFHSA-N 441.597 3.809 0 40 IHAB O=C(NCc1ccccc1)NC1(C(=O)Nc2cccc(CN3CCCC3=O)c2)CCCC1 30480692 CYDBHMIOWFNEGO-UHFFFAOYSA-N 434.540 3.560 0 40 IHAB CN(CC(=O)NCCSCc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 32341423 XXUGMGVYABIBPS-UHFFFAOYSA-N 447.409 3.664 0 40 IHAB O=C(NCCc1nc(-c2ccccc2)no1)c1cc(=O)c2ccc(Br)cc2o1 32593757 IVHATDRLVDLQED-UHFFFAOYSA-N 440.253 3.578 0 40 IHAB Cc1noc(C)c1CSc1ncccc1C(=O)N1CCN(C(=O)c2ccccc2)CC1 32718956 LRGAVTISOOIUPF-UHFFFAOYSA-N 436.537 3.577 0 40 IHAB O=C(Nc1ccccc1)[C@@H](c1ccccc1)N1CCN(Cc2cn3ccccc3n2)CC1 32853706 BPAMPVXBTSPXKT-RUZDIDTESA-N 425.536 3.832 0 40 IHAB Cc1nc2ncnn2c(C)c1CCC(=O)Nc1cccc(CN(C)C(=O)OC(C)(C)C)c1 32912898 FNKOMNALXMYSME-UHFFFAOYSA-N 438.532 3.679 0 40 IHAB COc1cccc(-c2cc(C(=O)N[C@@H](C)Cn3nc(C)cc3C)c3c(C)nn(C)c3n2)c1 36616423 FYIHDFXJMNVSOM-HNNXBMFYSA-N 432.528 3.584 0 40 IHAB Cc1c(CCC(=O)NC[C@H](CC(=O)O)c2ccc(Cl)cc2)c(=O)oc2cc(O)ccc12 42711665 JKNPJCOVCGNUOV-HNNXBMFYSA-N 443.883 3.768 0 40 IHAB COc1ccc(Cc2nnc(C3CCN(CC(=O)NCc4ccccc4)CC3)s2)cc1 49367166 CGYWGSNURLUPMV-UHFFFAOYSA-N 436.581 3.633 0 40 IHAB O=C(NC[C@@H](c1ccco1)N1CCN(c2ccccc2F)CC1)c1c(F)cccc1F 56945758 VCJTYWFSPHJWNM-FQEVSTJZSA-N 429.442 3.990 0 40 IHAB CC(C)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4[C@@H](C)CCC[C@@H]4C)[nH]c(=O)c32)cc1 59816753 MFQIXWXKSRYDIE-RLFYNMQTSA-N 437.544 3.725 0 40 IHAB O=C(Cn1nc(N2CCC(Cc3ccccc3)CC2)ccc1=O)NCCC1=CCCCC1 71285638 ZRNQFRUZRICLAP-UHFFFAOYSA-N 434.584 3.709 0 40 IHAB Cc1cc(CN2CCOCC2)oc1C(=O)N1CCC2(CC1)Nc1ccccc1-n1cccc12 72346489 FEDABIZQQZOMHR-UHFFFAOYSA-N 446.551 3.768 0 40 IHAB Cc1cc(Cc2cccc(Cl)c2)cc([C@@H]2CCCN(C(=O)CN3CCCC3=O)C2)n1 72354054 ZQRADLWKAICHIE-HXUWFJFHSA-N 425.960 3.963 0 40 IHAB CCOC(=O)[C@@]1(Cc2cc(-c3ccc(F)cc3)no2)CCCN(C(=O)c2cccnc2)C1 72394105 GDILLACNSHKXEA-XMMPIXPASA-N 437.471 3.904 0 40 IHAB CO[C@H](C)c1nc(CN2CCCN(C(=O)c3sccc3OC(F)F)CC2)cs1 79054012 DWKGXHAIGKZAHF-GFCCVEGCSA-N 431.530 3.862 0 40 IHAB COc1ccc(C)cc1NC(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O 95929357 PLZGJEYLBSWNFU-HSZRJFAPSA-N 428.492 3.965 0 40 IHAB COc1ccc(OCCN2CCN([C@H](C)c3nc(-c4ccc(C)c(F)c4)no3)CC2)cc1 95947596 QNGPHFRDHJOEGY-GOSISDBHSA-N 440.519 3.950 0 40 IHAB CCOC(=O)CN(c1ccc(CC)cc1)S(=O)(=O)c1ccc(Br)cc1 113884660 KFBYNQQMIHJEIA-UHFFFAOYSA-N 426.332 3.770 0 40 IHAB CCOc1ccccc1N(CCCC(=O)N[C@@H]1CCCc2ccccc21)S(C)(=O)=O 113962493 OLEPGTWHHNWUFG-HXUWFJFHSA-N 430.570 3.825 0 40 IHAB CC(=O)c1ccc(N2CCN(C(=O)/C(=C/c3ccco3)C(=O)Nc3ccccc3)CC2)cc1 215734080 ZFMJGAJCRMLUSI-HKOYGPOVSA-N 443.503 3.853 0 40 IHAB CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc2c(c1)OCO2 222773859 MXXSIBTXKDUEAY-ZDUSSCGKSA-N 437.323 3.818 0 40 IHAB CC[C@H](NC(=O)CN(c1ccc(F)cc1F)S(C)(=O)=O)c1ccc2c(c1)CCCC2 223113591 QWNHRMNBYCHGIL-FQEVSTJZSA-N 436.524 3.877 0 40 IHAB COc1ccc(CN(C(=O)C(C)C)[C@@H](Cc2ccccc2)C(=O)NC[C@@H]2CCCO2)cc1 223273257 DLOUSXPBYRONAL-ZEQRLZLVSA-N 438.568 3.586 0 40 IHAB CC[C@@H](C(=O)NCCc1ccc(Cl)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 224300030 QUDVRFWQYYMLNO-SFHVURJKSA-N 429.369 3.897 0 40 IHAB O=C(NCCc1ccc(Cl)cc1)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 224384360 AQYFPRLYLCTZOK-NRFANRHFSA-N 449.016 3.673 0 40 IHAB CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc2c(c1)OCCO2 225691917 ZGKJAWXDNNYBAV-SFHVURJKSA-N 442.531 3.719 0 40 IHAB C[C@]12CC[C@@H](CNS(=O)(=O)c3ccc(F)cc3)[C@H](O)[C@](C)(C[C@@H](c3ccccc3)C1)O2 257309035 TZGYLBGDOVQVRM-PPMIAYNCSA-N 447.572 3.987 0 40 IHAB Cc1cc(-c2ccc(N)nc2)cc([C@@H]2CN(C(=O)c3ccc4c(c3)CCCN4C)CCO2)n1 257340507 ZGLDWTRBQAMBDC-DEOSSOPVSA-N 443.551 3.630 0 40 IHAB COc1ccc(-c2ccc3c([C@@H]4CN(Cc5ccc(C)s5)CCN4C)nnn3c2)cn1 306125004 CEHBTMQCUBMMKP-NRFANRHFSA-N 434.569 3.659 0 40 IHAB CSc1ccccc1NC(=O)CN(Cc1ccc(Br)cc1)S(C)(=O)=O 408617297 ANAKQDPRGSRDNS-UHFFFAOYSA-N 443.388 3.571 0 40 IHAB Cc1cccc(CSCCNC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)c1 408922633 GDXSLFGWZAGJAR-UHFFFAOYSA-N 441.018 3.772 0 40 IHAB Cc1cn(-c2ccc(F)cc2)nc1C(=O)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O 509451438 UGUYZBNZTFUFOL-LJQANCHMSA-N 426.879 3.851 0 40 IHAB COc1ccc(C(=O)N2CC[C@@](C)(O)[C@@H](NC(=O)C3CCCC3)[C@@H]2c2ccccc2)cc1 604383141 PFRZSIYBZCSMFB-JCYRPKCISA-N 436.552 3.708 0 40 IHAB biogenic,in-vitro COc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)C3CCCCC3)n2)cc1 1372814 HLSCNBJIOSLGRB-UHFFFAOYSA-N 434.500 3.506 0 40 IHAB CCCOc1ccc(-c2nc3s/c(=C\c4ccc(Br)cc4)c(=O)n3n2)cc1 1806299 OEXFSLYYRLSIQY-ATVHPVEESA-N 442.338 3.917 0 40 IHAB Cc1ccc(-c2csc3ncn(CC(=O)Nc4ccc5c(c4)OCCO5)c(=O)c23)cc1 3017665 QKZANTUEWJYQNY-UHFFFAOYSA-N 433.489 3.843 0 40 IHAB O=C(NC[C@@]12C=C[C@@H](O1)C(Cl)(Cl)C(=O)C2(Cl)Cl)OCc1ccccc1 3851581 JOUKAXDNEIEFJP-BXUZGUMPSA-N 425.095 3.537 0 40 IHAB biogenic CCc1ccc(NC(=O)CSc2nnc(Cn3c(=O)sc4ccccc43)n2C)cc1 6530892 DHYKSQOZAKNFFG-UHFFFAOYSA-N 439.566 3.533 0 40 IHAB COc1cc(S(=O)(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)ccc1NC(C)=O 8735273 VYQADPOZTHVDQF-FQEVSTJZSA-N 434.514 3.922 0 40 IHAB CCOC(=O)c1ccsc1NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 8849310 NOPDEUWJXXGKSU-UHFFFAOYSA-N 436.555 3.742 0 40 IHAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 8862346 ZGWPPENXRJIVPE-OAHLLOKOSA-N 444.516 3.889 0 40 IHAB Cc1c(O[C@@H](C)C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)ccc2c3c(c(=O)oc12)CCCC3 8918130 CUWCCCONWHQQCC-XWXLMPLOSA-N 439.552 3.901 0 40 IHAB O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 9376956 LACNOOAHYNLRFB-OAHLLOKOSA-N 438.484 3.658 0 40 IHAB O=C(OCCOc1cccc(Cl)c1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 9464215 ULDJGAIMYWWDFA-UHFFFAOYSA-N 442.876 3.953 0 40 IHAB NC(=O)CC[C@H](NC(=O)c1ccc(F)cc1)C(=O)Nc1ccc2oc3ccccc3c2c1 9492271 YTYCBLIECXSANU-IBGZPJMESA-N 433.439 3.728 0 40 IHAB Cc1cccc(Cn2c(=O)c3c(nc4n3CCCN4c3cc(Cl)ccc3C)n(C)c2=O)c1 9519190 OEYNWADSJYPBLV-UHFFFAOYSA-N 449.942 3.757 0 40 IHAB O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)Nc1ccc(-c2ccccc2)cc1 9640960 GZTDHTZWMFQYSL-RUZDIDTESA-N 427.460 3.522 0 40 IHAB CCN(CC)CCn1c2c(c(SCC(=O)Nc3ccc(C)cc3C)nc1=O)CCCC2 9746926 VJLAKAFNLCPIGN-UHFFFAOYSA-N 442.629 3.812 0 40 IHAB CCCNS(=O)(=O)c1cc(C(=O)Nc2ccccc2OCC)ccc1N1CCCC1 10009894 JIGBREBNNYANME-UHFFFAOYSA-N 431.558 3.626 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCCCc1ccc(C)cc1 10110576 MCPOJEDDEOTKAZ-UHFFFAOYSA-N 444.597 3.787 0 40 IHAB CC(=O)c1ccccc1OCCSc1nnc(N2CCOCC2)n1-c1cccc(F)c1 10200930 FOMNVNHXPAKCOW-UHFFFAOYSA-N 442.516 3.617 0 40 IHAB CCOc1ccc([C@@H]2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2CCCN(C)C)cc1 10233223 BSMIBAVMENUODS-JOCHJYFZSA-N 436.508 3.697 0 40 IHAB Cc1nc(Oc2ccccc2)cc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1 12225072 QETDKWMIBPZYPB-UHFFFAOYSA-N 444.944 3.742 0 40 IHAB COCCNC(=O)CSc1ccccc1C(=O)OCC(=O)c1cc(C)n(C(C)C)c1C 12423833 LXXPSCILYCZPSH-UHFFFAOYSA-N 446.569 3.580 0 40 IHAB Cc1ccc(OCc2nn([C@H]3CC(=O)[C@@H]4OC[C@H]3O4)c(=S)n2-c2ccccc2)cc1C 12462265 VRIHDHNNTBPHFK-CZTZKLFOSA-N 437.521 3.855 0 40 IHAB Cc1c(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c(=O)n(-c2ccccc2)n1C 12557063 BVRZSHFZUXURTM-UHFFFAOYSA-N 445.850 3.957 0 40 IHAB Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(-c3ccccc3)cc1)[C@H]1C(=O)c3ccccc3C1=N2 12582792 HUHQOMCEJDRBIJ-FCHUYYIVSA-N 447.494 3.830 0 40 IHAB CCn1c(-c2ccc(Cl)cc2)nn(CN(CC(C)C)[C@@H]2CCS(=O)(=O)C2)c1=S 12792303 AWQLRURADNMYTO-QGZVFWFLSA-N 443.038 3.857 0 40 IHAB COc1ccc(C(=O)NCc2ccc(F)cc2)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C 13042331 NYVPCNYAEWKANG-DNVCBOLYSA-N 434.533 3.621 0 40 IHAB Cc1c(NC(=O)[C@H](C)OC(=O)c2ccc(C(F)(F)F)cc2)c(=O)n(-c2ccccc2)n1C 13149522 GTROAJIZEAIHOU-AWEZNQCLSA-N 447.413 3.687 0 40 IHAB COc1ccc(OC)c2[nH]c(C(=O)NCCCC(=O)Nc3nc4ccccc4s3)cc12 13727846 VXLRVLPUDPDTNX-UHFFFAOYSA-N 438.509 3.944 0 40 IHAB O=C(c1ccc(I)cc1)N1N=C2CCCC[C@H]2[C@@]1(O)C(F)(F)F 13895648 WCTRGUYOHRBUIC-BXUZGUMPSA-N 438.187 3.544 0 40 IHAB CCN(CC)Cc1nc2sc(C)c(C)c2c(=O)n1CC(=O)c1[nH]c(C)c(C(C)=O)c1C 14250803 CPZLYHJLVYXLIS-UHFFFAOYSA-N 442.585 3.947 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1OCC 17331900 FFPUKVVCBUOTKM-UHFFFAOYSA-N 438.977 3.957 0 40 IHAB Cc1cc2c(cc1Cl)[C@H](O)CC1(CCN(C[C@@H](O)c3ccc4c(c3)OCCO4)CC1)O2 19125702 MHVWYIMKKQNNBI-WOJBJXKFSA-N 445.943 3.804 0 40 IHAB Cc1sc2nc(C3CC3)n(C3CCN(CC(=O)NC4CCCC4)CC3)c(=O)c2c1C 19561267 UYJSSEGCBGTXPP-UHFFFAOYSA-N 428.602 3.648 0 40 IHAB COc1cccc(CN2CCN(C)C(=O)[C@H](Cc3cccc(-c4cccnc4)c3)C2)c1OC 19589554 RKLOCUJQHCLNPL-XMMPIXPASA-N 445.563 3.899 0 40 IHAB CC(C)CNC(=O)c1cc([C@H]2CN(C(=O)c3cc(C4CC4)on3)CCO2)nc2ccccc12 19759637 PJQRFFSUJMJYTP-HSZRJFAPSA-N 448.523 3.700 0 40 IHAB CC(=O)N1CCC[C@H]1c1nc(CN(C)C(=O)c2cc3cc(C)ccc3o2)cc(N(C)C)n1 19760268 MPFCRRFUXYRURC-IBGZPJMESA-N 435.528 3.553 0 40 IHAB CCCCN1C(=O)[C@@H](C(=O)OCC)[C@@H](c2ccc(OC)c(O)c2)n2c1nc1ccccc12 20675908 DYSGZBWSUQPSFT-LEWJYISDSA-N 437.496 3.666 0 40 IHAB Cc1ccc(N(CC(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)S(C)(=O)=O)c(C)c1 22328484 SNBPZGWFXWBNAB-LJQANCHMSA-N 430.570 3.796 0 40 IHAB CCOc1ccc(CCCNC(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)cc1 22425224 VMVWVCZDZCVBFR-UHFFFAOYSA-N 432.586 3.724 0 40 IHAB O[C@@H](COCc1ccc2c(c1)OCO2)CN1CCC[C@@H](c2nc3ccccc3s2)C1 25664390 VEXOBJRUMPTMPY-QZTJIDSGSA-N 426.538 3.782 0 40 IHAB O=C(NCc1ccccc1Cn1cccn1)[C@@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21 27254459 SVZIWBNIDYCWSP-RPWUZVMVSA-N 442.563 3.943 0 40 IHAB C[C@@H]1Cc2cccc3c(=O)c(C(=O)Nc4ccc(I)cc4)cn1c23 33088864 SGHCXIPUEPTTIM-LLVKDONJSA-N 430.245 3.976 0 40 IHAB CCOc1ccccc1-c1nc(Cn2nnc(C(=O)Nc3ccccc3OC)c2N)c(C)o1 33291742 QDLZZNQAUJBJAT-UHFFFAOYSA-N 448.483 3.532 0 40 IHAB Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)Nc1c(F)cccc1F 33580901 UQKZTOVELBLEOV-UHFFFAOYSA-N 438.496 3.902 0 40 IHAB O=C(NCCc1ccc(Cl)cc1)[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O 36397610 GABSAXGMYKTVCN-KRWDZBQOSA-N 426.822 3.950 0 40 IHAB CC(C)C[C@@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)NCc1ccccn1 36585661 BBSBWZMPGUYGRJ-HXUWFJFHSA-N 447.564 3.943 0 40 IHAB CCOc1cc([C@@H]2CC(=O)N=C3NC=NN32)cc(Br)c1OCc1ccccc1 38311454 UNUULRNGJNMLBN-INIZCTEOSA-N 443.301 3.603 0 40 IHAB CCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)Nc2ccc(OC)cc2OC)C1 44803552 SOCCPNAXAPLHQO-MRXNPFEDSA-N 436.512 3.901 0 40 IHAB COC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)c1 57333544 SSSNOPODPAXTRW-UHFFFAOYSA-N 439.295 3.878 0 40 IHAB Cc1ccc([C@H](NCC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)c2ccccc2)cc1 57383271 YXDDXHUACXORDP-AOYPEHQESA-N 448.588 3.894 0 40 IHAB O=S1(=O)CC[C@H](Cc2nc3ccccc3n2C[C@H](O)c2ccccc2C(F)(F)F)C1 58402519 PJLMCMOPZZEENE-KUHUBIRLSA-N 438.471 3.766 0 40 IHAB O=C(Nc1cccc(Br)n1)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 58423447 GEJFIXUSVQHUNG-GFCCVEGCSA-N 442.235 3.850 0 40 IHAB Cc1cc2nc(SCC(=O)N3CCCc4ccccc43)n(Cc3ccco3)c(=O)c2[nH]1 67236216 KNNDBWOVXCUSOW-UHFFFAOYSA-N 434.521 3.746 0 40 IHAB C[C@H](NC(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)c1nc2ccccc2n1C 72288898 IKYYCSWXQPEQTI-YNAUYEQNSA-N 434.584 3.958 0 40 IHAB O=C(COC(=O)COc1ccc(I)cc1)Nc1ccccc1Cl 72330979 WWHUKALHDGOUSZ-UHFFFAOYSA-N 445.640 3.505 0 40 IHAB Cc1cc(Cc2cccc(F)c2)cc([C@@H]2CCN(S(=O)(=O)c3c(C)noc3C)C2)n1 72374807 HQCOGMAPERLWMH-LJQANCHMSA-N 429.517 3.903 0 40 IHAB CNC(=O)c1sc2ccccc2c1[C@H]1CN(C(=O)c2cn(C)c3ccccc23)CCO1 72383137 XFYHWBOHSMKKAV-LJQANCHMSA-N 433.533 3.966 0 40 IHAB O=C(Nc1ccc2c(c1)CCO2)[C@H]1CCCCN1c1ncnc2c1cnn2-c1ccccc1 79076546 UPDQOIJODDSPCL-OAQYLSRUSA-N 440.507 3.748 0 40 IHAB CCN(CC)c1ccc(CNS(=O)(=O)Cc2ccc(Cl)cc2Br)cn1 95452586 BXXJVWHYEYVVLP-UHFFFAOYSA-N 446.798 3.963 0 40 IHAB COc1cccc([C@H](C)CC(=O)N2CCN([C@H]3CCCN(c4ccccc4)C3=O)CC2)c1 95998354 RCMHMQNDLPYSSU-YKSBVNFPSA-N 435.568 3.529 0 40 IHAB Cn1cc(CNC(=O)c2cc3c(s2)CCC3)c(NC(=O)c2cc3c(s2)CCC3)n1 96012225 PNWJYHUJQBXRPB-UHFFFAOYSA-N 426.567 3.703 0 40 IHAB COC(=O)N1CCc2ccc(NS(=O)(=O)Cc3ccc(C(F)(F)F)cc3)cc2C1 96096320 CCRXMJDGILOCHJ-UHFFFAOYSA-N 428.432 3.772 0 40 IHAB O=C(NCc1ccccc1)c1ccc2ccc(N3CCN(C(=O)c4ccccc4)CC3)n2c1 96156000 AMBJMOAITXZZFX-UHFFFAOYSA-N 438.531 3.832 0 40 IHAB CC(C)(C)C(=O)[C@H]1[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@@H]2[C@H]2C=Cc3ccc4cccnc4c3N21 101098682 NSYYOCZKQDTUGG-NEYJZJCJSA-N 431.536 3.834 0 40 IHAB CC[C@]1(C)c2sc(=O)[nH]c2S[C@H]2[C@H]3C[C@@H]([C@H]4C(=O)N(c5ccc(F)cc5)C(=O)[C@H]34)[C@@H]21 101261839 HYDGNKXEKCMXEV-OFRVOYKCSA-N 444.553 3.789 0 40 IHAB COc1ccc(C2=NN(C(=O)CCCC(=O)O)[C@@H](c3ccc(OC)cc3OC)C2)cc1 106100158 IPVWMXRZGVMOSG-HXUWFJFHSA-N 426.469 3.645 0 40 IHAB CCS(=O)(=O)N1C[C@@H](C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)Oc2ccccc21 218788262 DRDMEOJNLGYVAP-KKSFZXQISA-N 430.570 3.779 0 40 IHAB CCCOc1ccccc1CCCNC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1 219966495 JSKJNLWLBMNPEK-UHFFFAOYSA-N 444.597 3.764 0 40 IHAB CSc1cccc(N(CC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)c1 220072784 HYGPQIDZIWDOFB-SFHVURJKSA-N 434.583 3.593 0 40 IHAB CC[C@@H](C(=O)Nc1ccccc1C(=O)N[C@H](C)CC)N(c1cccc(C)c1)S(C)(=O)=O 220507423 CMGXZWCUBKDAOJ-UTKZUKDTSA-N 445.585 3.707 0 40 IHAB CCOc1ccccc1CCCNC(=O)[C@H](CC)N(c1ccccc1F)S(C)(=O)=O 220602884 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O=C(CCc1nc(-c2ccc(F)cc2)no1)NCCSc1nc(-c2ccccc2)n[nH]1 225872789 RYBNRKUEJUTECR-UHFFFAOYSA-N 438.488 3.502 0 40 IHAB S=C(NCc1ccco1)Nc1nc(N2CCCC2)cc(N2CCc3ccccc3C2)n1 225911415 DAWLVTCRKSSDDJ-UHFFFAOYSA-N 434.569 3.719 0 40 IHAB COCCC(=O)N[C@]1(C)C[C@H](c2ccc(N3CCCC3=O)cc2)O[C@@H]2C[C@H](C)CC[C@H]21 257337219 YRXSAKQUXZTZQU-MBICXCLHSA-N 428.573 3.991 0 40 IHAB CCCOc1ccc(N(CC(=O)N[C@H](CC)c2ccc(OC)c(C)c2)S(C)(=O)=O)cc1 260841144 JPERLPFFEQHNOI-OAQYLSRUSA-N 448.585 3.826 0 40 IHAB Cc1nc(CN2CC[C@H](NC(=O)c3ccsc3)c3ccccc3S2(=O)=O)cs1 306134373 NLHPAPNUFKTNFI-KRWDZBQOSA-N 433.580 3.579 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(C)ccc3OC)C2)cc1C 408556446 CPUVLMHRPZPAET-SFHVURJKSA-N 446.569 3.750 0 40 IHAB CCOC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccc(OC)cc3OC)o2)c1 408659292 KOASWMBLMUSVJC-UHFFFAOYSA-N 443.481 3.661 0 40 IHAB CCCC[C@@H](C(=O)OCC(=O)Nc1ccc(C)c(Cl)c1)N1C(=O)c2ccccc2C1=O 408660025 KOUKUPGFWFYELZ-IBGZPJMESA-N 442.899 3.985 0 40 IHAB Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)NCc1ccncc1 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COCCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 6905219 MHSCPJHEZZQALR-UHFFFAOYSA-N 434.583 3.852 0 40 IHAB C=CCNC(=S)N/N=C/c1ccc(OC)c(CSC2=N[C@H]3C=CC=C[C@H]3S2)c1 8895540 RTTRPUQABJMQNX-OLTAIVCZSA-N 430.624 3.878 0 40 IHAB CC(=O)c1ccc(N2CCN(C(=O)[C@@H](CC(C)C)NC(=O)c3ccccc3C)CC2)cc1 9154520 NNNVQUUIIIOAAY-XMMPIXPASA-N 435.568 3.691 0 40 IHAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccs3)c(=O)n2[C@H]1c1ccccc1Cl 9330722 PBUUFPPCLHPYIE-FYXHJSOBSA-N 444.965 3.513 0 40 IHAB Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(Br)cc2)C[S@@](=O)C3)cc1 9413541 BURJBZHPOFEBDT-SANMLTNESA-N 430.327 3.958 0 40 IHAB CCOc1ccc(-c2nnc(SCC(=O)N3CCCC3=O)n2-c2ccccc2F)cc1 9545730 CLACHWKADJJZKW-UHFFFAOYSA-N 440.500 3.713 0 40 IHAB O=C(NC1CCCCCC1)c1cn(C[C@H]2CCCO2)cc2c(=O)n(-c3ccccc3)nc1-2 9663317 UUFUAERCODJJDI-HXUWFJFHSA-N 434.540 3.770 0 40 IHAB C[C@@H](Sc1nnc(Cc2ccccc2)n1-c1ccc(F)cc1)C(=O)NC[C@@H]1CCCO1 9729721 ZQJAWOJGLFRUIQ-UZLBHIALSA-N 440.544 3.773 0 40 IHAB CCN1CCN(c2c(S(=O)(=O)c3ccc(OC)cc3)cnc3ccc(Cl)cc23)CC1 9969460 BKBKFEUPWUJLKJ-UHFFFAOYSA-N 445.972 3.872 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3C(F)(F)F)C2)cc1 9974472 VRWLTZHSCZCBNW-AWEZNQCLSA-N 442.459 3.753 0 40 IHAB O=S(=O)(c1cccnc1)N1CCCCC[C@H]1c1cc(-c2ccc3c(c2)OCO3)on1 12144149 JFUKZYZJJMFXMW-SFHVURJKSA-N 427.482 3.771 0 40 IHAB O=C(C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F)NCCCn1cnc2ccccc21 12548266 ZCXXRDKWLXAONT-HXUWFJFHSA-N 448.470 3.993 0 40 IHAB O=C(NC1CCCC1)[C@H](c1ccncc1)N(C(=O)c1csnn1)c1ccc(F)cc1 12636318 IGIJEKBRPLFSIX-IBGZPJMESA-N 425.489 3.519 0 40 IHAB CN(c1nc2ccccc2n(CC(=O)Nc2ccc3c(c2)OCCO3)c1=O)C1CCCCC1 12727754 ADGHAAVKFKGTFQ-UHFFFAOYSA-N 448.523 3.575 0 40 IHAB Cc1ccccc1[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12920256 QADZXSYUYNKTKN-GOSISDBHSA-N 426.582 3.762 0 40 IHAB Cc1cccc(OCC(=O)N2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)c1C 12926293 SDANXVFIGZPAIY-UHFFFAOYSA-N 440.931 3.730 0 40 IHAB C[C@@H]1CCCC[C@H]1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br 12928807 RHKKPHKSXAXHQV-CXAGYDPISA-N 429.380 3.542 0 40 IHAB CC(C)C(=O)N1CCN(C(=O)c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)CC1 12942971 OCKAJRYMVWZTRF-UHFFFAOYSA-N 437.584 3.782 0 40 IHAB O=C(COc1ccc(F)cc1Br)Nc1ccccc1S(=O)(=O)C(F)F 13004616 FZTXCZPVPNLKFI-UHFFFAOYSA-N 438.221 3.602 0 40 IHAB O=C(NCc1ccccc1Cl)[C@H]1CCCN1S(=O)(=O)c1ccccc1C(F)(F)F 13074859 FXENOZQUODGJDS-MRXNPFEDSA-N 446.878 3.828 0 40 IHAB CCOC(=O)c1sc(N)c(C(=O)OCC)c1CSc1nnc(SCC)s1 13140068 RXHSNLFHBLKZDB-UHFFFAOYSA-N 433.602 3.940 0 40 IHAB Cc1ccc(C)c(C(=O)COC(=O)c2ccccc2N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)c1 13616093 VIFFUYWQLKQEFA-TXKCWOHGSA-N 429.472 3.655 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)[C@@H](CC)N(c1cccc(Cl)c1)S(C)(=O)=O 13712037 IURSCFFUIZYMHL-GOSISDBHSA-N 438.933 3.700 0 40 IHAB CS(=O)(=O)N1CCC[C@H](C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)C1 13790264 PMXMFZFYEWXDPO-JTQLQIEISA-N 434.370 3.727 0 40 IHAB CCn1c(COc2ccccc2F)nnc1SCC(=O)Nc1cccc(C(=O)OC)c1 14152669 ROWJZFULJOKQLL-UHFFFAOYSA-N 444.488 3.534 0 40 IHAB O=C(c1ccc(S(=O)(=O)NCc2ccco2)cc1)N(Cc1ccc(F)cc1)C1CC1 14185536 BRDILISFXJESEJ-UHFFFAOYSA-N 428.485 3.702 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)NC(c1ccccc1)c1ccccc1 16291297 QNKILCJIMRCEPN-UHFFFAOYSA-N 438.549 3.530 0 40 IHAB CCCCN1C(=O)CC[C@@H](C(=O)OCc2ccc(C(N)=O)cc2)[C@H]1c1ccc(OC)cc1 16563705 MRZJVXBNXXTGIM-FYYLOGMGSA-N 438.524 3.617 0 40 IHAB C[C@H]1CCCCN1C(=O)Cn1c2ccc(F)cc2c2ncn(Cc3ccccc3)c(=O)c21 16841520 YJWNBZRAWQSSBW-KRWDZBQOSA-N 432.499 3.940 0 40 IHAB COc1ccccc1-c1cc2c(=O)n(Cc3nc(-c4cccc(Cl)c4)no3)ccn2n1 16842009 NZDGUWQCNAYERX-UHFFFAOYSA-N 433.855 3.923 0 40 IHAB COc1cc(OC)cc(C(=O)NC(=S)Nc2ccc(Cc3c(C)nn(C)c3C)cc2)c1 17102586 MTMUDYSPJRZWPW-UHFFFAOYSA-N 438.553 3.772 0 40 IHAB Cc1cccc2s/c(=N/C(=O)c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)n(C)c12 17135808 PMYNTDPDDUDLRM-MTLKIYMJSA-N 443.594 3.710 0 40 IHAB C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CSCc2ccc(Cl)cc2)C1=O 18197829 QNOYKNVQTIUMJU-NRFANRHFSA-N 431.945 3.548 0 40 IHAB CCn1cc(CN2CCC[C@H]([C@@H](NC(=O)c3ccccc3OC)c3ccccn3)C2)c(C)n1 19524529 BHOGBXYPSKHJAI-NBGIEHNGSA-N 447.583 3.998 0 40 IHAB CCNC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)Cc2cccnc2)C1 19528931 OQMHGXHTFCCVPV-MHZLTWQESA-N 427.548 3.889 0 40 IHAB CCOC(=O)[C@@]1(Cc2cc(-c3cccc(C)c3)no2)CCCN(C(=O)[C@H]2CCCO2)C1 19529906 BQVHLZUDNSJLSD-ZJSXRUAMSA-N 426.513 3.543 0 40 IHAB CO[C@@H]1CCC[C@@H](C(=O)N2CCC[C@@H](c3nc(=O)c4c5c(sc4[nH]3)CCCC5)C2)C1 19592615 TUONCFBTWJOUTN-BZUAXINKSA-N 429.586 3.775 0 40 IHAB Cc1nccn1CCC(=O)N1CCC[C@@H](c2nc(N(C)C)ncc2-c2cccc(F)c2)C1 19687527 AVQIPDBRANAXST-LJQANCHMSA-N 436.535 3.650 0 40 IHAB Cc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)CCCc3ccccc3)CC2)cc1 20456711 FWDFBAXRYBFOLX-UHFFFAOYSA-N 428.598 3.628 0 40 IHAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)COc1ccc(C(C)(C)C)cc1 20461074 MMKIXZNKLNULAA-UHFFFAOYSA-N 434.558 3.697 0 40 IHAB CCc1cccc(NC(=O)CSc2ncc3c(n2)-c2ccccc2N(C)S3(=O)=O)c1 20582737 RFMGBRAMKCTFQK-UHFFFAOYSA-N 440.550 3.575 0 40 IHAB CN(CC(=O)Nc1ccccc1OC(F)(F)F)S(=O)(=O)c1ccc(Cl)s1 21759471 AGGJLWVYIKGBKM-UHFFFAOYSA-N 428.841 3.559 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1CCCN(Cc2ccc(F)cc2)CC1 22837227 WZTZWCNKCHTIJY-UHFFFAOYSA-N 435.547 3.775 0 40 IHAB Cc1ccc(C)c(NC(=O)C(=O)NC[C@@H](c2cccnc2)N2CCc3ccccc3C2)c1 22906754 HCPMBGJWHNSGOA-DEOSSOPVSA-N 428.536 3.553 0 40 IHAB COc1ccc(C2=NN(C(=O)COc3ccc(Cl)c(C)c3)[C@](O)(C(F)(F)F)C2)cc1 32101020 ILMUKDQTRZYJEH-LJQANCHMSA-N 442.821 3.923 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCCCN2CCCCCC2)cc1 37020514 HVNPVWYCVLDFEI-UHFFFAOYSA-N 429.586 3.792 0 40 IHAB O=S(=O)(O)CCCN1/C(=C/C=C2\C(Cl)=Nc3scc[n+]32)Sc2ccccc21 38165930 AKQUVAQHWIKUNW-UHFFFAOYSA-O 440.979 3.891 0 40 IHAB O=C(NCCc1ccc(-n2cccn2)cc1)Nc1cc(Cl)ccc1N1CCOCC1 40103413 URMFNNRVRIYYPV-UHFFFAOYSA-N 425.920 3.727 0 40 IHAB Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4cccc(Cl)c4)[nH]c(=O)c32)c(C)c1 40399350 PFKPMRYEMDKZMW-HNNXBMFYSA-N 437.887 3.848 0 40 IHAB CSc1ccccc1CN1CCC(CNC(=O)C(=O)NCc2ccccc2Cl)CC1 43942577 DIPNNESQUVJNAX-UHFFFAOYSA-N 446.016 3.707 0 40 IHAB CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 48230981 FMFQWJKKKLXFBG-HXUWFJFHSA-N 447.605 3.684 0 40 IHAB Cc1cccc(-c2noc(Cn3c(=O)n(-c4ccccc4C)c(=O)c4sccc43)n2)c1 48986977 SDEFYUYNGJFHNO-UHFFFAOYSA-N 430.489 3.929 0 40 IHAB Cc1cc(C)cc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc(N(C)C)cc3)c2=O)c1 57492053 UMHVXJOBKYZCSK-UHFFFAOYSA-N 448.548 3.535 0 40 IHAB Cc1cccc(NC(=O)[C@H]2CCCN(c3ccc(S(=O)(=O)C(F)(F)F)cc3)C2)n1 58406638 UQTSMGBNLCGLMP-AWEZNQCLSA-N 427.448 3.539 0 40 IHAB CC(C)(CNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)c1cccc(C(F)(F)F)c1 72288398 NNPLOYBYJCDDNH-BQFCYCMXSA-N 443.535 3.825 0 40 IHAB Cc1nc(C2=CCN(C[C@@H](O)c3ccc4ccccc4c3)CC2)nc(N2CCOCC2)c1C 72339519 PYVWDAJBPIPGFO-RUZDIDTESA-N 444.579 3.906 0 40 IHAB Cc1cc(C)nc(Nc2ccc([C@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)nc2)n1 72353297 IIYZQYMAEDCPPP-KRWDZBQOSA-N 441.532 3.939 0 40 IHAB O=C(NCCNc1ccccn1)c1cccc(-c2ccc(C[C@@H]3CCCNC3=O)cc2)c1 72356308 GSWIKJAXZONKIC-QFIPXVFZSA-N 428.536 3.659 0 40 IHAB COc1ccc(C)cc1-n1ccc(C(=O)NCc2cc(Cl)c3c(c2)OCCCO3)n1 84147692 NJZLVNYCECOEDE-UHFFFAOYSA-N 427.888 3.934 0 40 IHAB COc1ccc(-c2cc(C(=O)NCCc3nc4ccccc4n3C(C)C)n[nH]2)cc1OC 95477116 PGCMKLVTVAFRRN-UHFFFAOYSA-N 433.512 3.997 0 40 IHAB CC(C)C(=O)N1CCc2nc3cc(C4CCN(C[C@@H]5CC=CCC5)CC4)nn3c(O)c2C1 100232698 QBBQDCXXEWIFTG-GOSISDBHSA-N 437.588 3.511 0 40 IHAB Cc1cc(-c2cn(C)nc2[C@H]2CC[C@H](CNC(=O)c3ccc4c(c3)OCCO4)CC2)on1 100744008 JBFMEFDYRKLJMO-CALCHBBNSA-N 436.512 3.859 0 40 IHAB COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]32)cc1 102695217 OHNHTPFJJGKPLR-LZLYRXPVSA-N 438.530 3.549 0 40 IHAB Cc1[nH]n(-c2nc3ccccc3s2)c(=O)c1[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O 102719891 GMEDJQYZTZSPDH-CQSZACIVSA-N 438.896 3.784 0 40 IHAB COc1ccc(/N=c2/nc(N3CCOCC3)n(-c3ccc(Br)cc3)s2)cc1 105023320 OSUKBKMDPMFUMO-UZYVYHOESA-N 447.358 3.774 0 40 IHAB C[C@@H](C(=O)NCCSC(C)(C)C)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 220431764 XYJJWDFKSNJVES-NSHDSACASA-N 427.419 3.796 0 40 IHAB COc1cccc(N(C)C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4ccccc4c3)C2)c1 222555495 YPQZIFDYNPIDKX-FQEVSTJZSA-N 438.549 3.912 0 40 IHAB Cc1ccc(OCCNC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2C)cc1C 224101411 UHEAPNPKOYJJCZ-UHFFFAOYSA-N 444.597 3.985 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(N3CCCCC3)cc2)cc1N1CCCC1=O 224963776 DKJNVAAILKSMRH-UHFFFAOYSA-N 429.542 3.613 0 40 IHAB CCn1cc(CN2CCO[C@@H](c3cccc(-c4cnc(N)nc4)n3)C2)c2ccc(F)cc21 257246069 ISIAGEKLELZKPM-HSZRJFAPSA-N 432.503 3.808 0 40 IHAB c1ccc(COc2cccc(CN3CCOC[C@H](Cc4cccn5nccc45)C3)c2)nc1 257286942 PNSQHPHLAQKBJY-JOCHJYFZSA-N 428.536 3.999 0 40 IHAB CNC(=O)[C@]1(c2ccccn2)CCCN(C(=O)C2(c3ccc(OC)cc3)CCCCC2)C1 257298057 RJYGMZMHUKQKCD-AREMUKBSSA-N 435.568 3.599 0 40 IHAB CCc1nc(NC(=O)CN2CC[C@@H]3[C@H]2CCCC(=O)N3Cc2ccccc2)sc1C 257323263 WJJZUGDDWXHTFI-WOJBJXKFSA-N 426.586 3.608 0 40 IHAB CC1CCN(c2cc(N3CCC[C@H](C)C3)nc(NC(=S)NCc3cccnc3)n2)CC1 260710243 FRBJKZIBYVFMQQ-SFHVURJKSA-N 439.633 3.831 0 40 IHAB COc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)cc1OC 408560386 ZAQNMLXLQAPHEU-UHFFFAOYSA-N 432.542 3.829 0 40 IHAB COc1ccc2ccccc2c1CN(C(C)=O)c1ccc(N2CCOCC2)c(C(=O)O)c1 408565528 LHYHJNAJSFYIGX-UHFFFAOYSA-N 434.492 3.936 0 40 IHAB C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3cccs3)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]21 408642161 DQLJYJPKHXOSNZ-AZOIQLNYSA-N 442.924 3.839 0 40 IHAB Cc1ccccc1CNC(=O)c1ccccc1NC(=O)C(=O)NCc1cccc(Cl)c1 408709699 WBDBFFYXQGMDOQ-UHFFFAOYSA-N 435.911 3.833 0 40 IHAB COc1ccc(-c2nnc(CN(C)C(=O)COc3ccc4ccccc4c3)o2)cc1OC 408713964 DVLJDBGBMFVLJG-UHFFFAOYSA-N 433.464 3.944 0 40 IHAB CCOc1cc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)cc(Br)c1O 409080721 NVJJBKKQXJALJT-ZROIWOOFSA-N 425.348 3.944 0 40 IHAB COc1ccc(C(=O)N2CCN(C)[C@H](c3ccccc3OC)C2)cc1NCc1ccncc1 585262094 VWKAGPHUXCYEMU-QHCPKHFHSA-N 446.551 3.840 0 40 IHAB CN1CCN(S(=O)(=O)c2cc(Br)ccc2Cl)[C@@H](c2ccccc2)C1 589888287 WCKZUTLEROFEFL-MRXNPFEDSA-N 429.767 3.780 0 40 IHAB CCCCN1CCC2(CCCCCNC(=O)c3ccccc3OC[C@H](C)NC2=O)CC1 643581348 MPCIHGJHLNHDGK-FQEVSTJZSA-N 429.605 3.756 0 40 IHAB O=C(CN1CCN(c2c(Cl)cccc2Cl)CC1)NC[C@@H]1CCN(c2ccccc2)C1 1658151172 ITFGRUODCQYHTP-SFHVURJKSA-N 447.410 3.758 0 40 IHAB O=C(NC(=S)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1)c1ccc(F)cc1 676682 SJIOEECPWSZUDQ-UHFFFAOYSA-N 435.546 3.564 0 40 IHAB CCCC[C@@H](NC(=O)COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1)C(=O)O 2093083 HRLSIGDRKSFEKK-OAQYLSRUSA-N 437.492 3.831 0 40 IHAB biogenic CCn1c2ccccc2c2cc(NC(=O)COC(=O)CNC(=O)C3CCCCC3)ccc21 2626662 XILLZRVSIODAKZ-UHFFFAOYSA-N 435.524 3.993 0 40 IHAB O=C(O)/C=C/C(=O)NCc1cn(-c2ccccc2)nc1-c1cccc(Br)c1 2628657 FZCNZJMCKXNABM-MDZDMXLPSA-N 426.270 3.559 0 40 IHAB COc1ccc(NC(=O)c2cc(S(=O)(=O)NCCc3ccccc3)ccc2F)cc1 3024650 UEKLTFRUGBHFCE-UHFFFAOYSA-N 428.485 3.608 0 40 IHAB COc1cc(Cl)c(C)cc1NC(=O)CN(C)CC(=O)Nc1ccc(F)c(F)c1F 3427827 KFQWCGFBFLIOOV-UHFFFAOYSA-N 429.826 3.583 0 40 IHAB O=C(CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)NCCC1=CCCCC1 6066484 KTRZBYJKOFZVRQ-SFHVURJKSA-N 427.570 3.674 0 40 IHAB O=C(NCc1cccnc1)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1 6143073 LWUSFCRZUUTVRO-UHFFFAOYSA-N 446.326 3.575 0 40 IHAB Cc1cc(C)cc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(Cl)cc3)c(=O)n2C)c1 9280926 YNNPVAUUPXPILW-UHFFFAOYSA-N 449.942 3.757 0 40 IHAB CCn1c(SCC(=O)Nc2nnc(C3CC3)s2)nnc1[C@H](C)Oc1ccccc1 9302759 IAPPQTXXLGOXJC-LBPRGKRZSA-N 430.559 3.898 0 40 IHAB Cc1oc2cc3oc(=O)c(CC(=O)N4CCN(c5ccccn5)CC4)c(C)c3cc2c1C 9341414 INUZFJIZEDAWLT-UHFFFAOYSA-N 431.492 3.751 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CSc2nnc(NC(=O)C3CCCCC3)s2)cc1 9364452 ILOAMFLFTJINSX-UHFFFAOYSA-N 448.570 3.964 0 40 IHAB CC(C)N(C(=O)Cn1c(=O)n(-c2ccc(F)cc2)c(=O)c2oc3ccccc3c21)C(C)C 9603334 RTHXCZNNQOSPJO-UHFFFAOYSA-N 437.471 3.683 0 40 IHAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cc(=O)c2ccccc2o1 9614182 XQWXTSALWFFQOL-UHFFFAOYSA-N 438.480 3.679 0 40 IHAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)CSc1nnnn1Cc1cccs1 9643780 TZDXFMYIXAPEJO-GFCCVEGCSA-N 430.584 3.704 0 40 IHAB COc1ccc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccc(C)cc3)c3ccccc3O2)cc1 9668599 QTTKXJGQYXFRME-JOCHJYFZSA-N 438.505 3.599 0 40 IHAB COc1cccc(C(=O)N2N=C(c3ccc(NS(C)(=O)=O)cc3)C[C@H]2c2ccco2)c1 9673717 ULZNMDFHJCVCBL-FQEVSTJZSA-N 439.493 3.651 0 40 IHAB Cc1ccc(Cn2c(=O)c3ccccc3n3c(SCC(=O)OC(C)(C)C)nnc23)cc1 9703349 NAOFPPIPPDSWFW-UHFFFAOYSA-N 436.537 3.835 0 40 IHAB O=C(COc1ccc(Br)cc1F)Nc1cccc(-c2nnnn2C2CC2)c1 9709135 BJRBVEANXYLODP-UHFFFAOYSA-N 432.253 3.594 0 40 IHAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 9713596 SAIWKEIMOMMNGT-UHFFFAOYSA-N 441.553 3.630 0 40 IHAB COc1cc(OC)cc(C(=O)Oc2coc(CSc3nc(C)cc(C)n3)cc2=O)c1 9829218 DUWOXRXFLKQHBF-UHFFFAOYSA-N 428.466 3.575 0 40 IHAB Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3cccc(Br)c3)C2=O)c(C)n1C1CC1 9835133 NHFCHLNMOGBPKG-OAQYLSRUSA-N 444.329 3.852 0 40 IHAB C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O)c1cc2ccccc2o1 9876898 XUCXZSDJEDWVJD-MQNRADLISA-N 431.492 3.566 0 40 IHAB COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)N2C2CCCC2)cc1 9934048 QGGHNSFXUSDQTM-FQEVSTJZSA-N 425.460 3.943 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)NCCCN2CCCCCC2)cc1 10111218 DPIJGSGECMLMPS-UHFFFAOYSA-N 443.613 3.816 0 40 IHAB O=C(c1nc(-c2ccc3cc[nH]c3c2)no1)N1CCN(c2nsc3ccccc23)CC1 12389647 WFCVBKDGPGPBHN-UHFFFAOYSA-N 430.493 3.790 0 40 IHAB Cc1ccc(NC(=O)Cn2c(=O)cc(C(=O)NCc3ccccc3)c3ccccc32)cc1 12461639 PURUASDDSNGIMG-UHFFFAOYSA-N 425.488 3.879 0 40 IHAB biogenic,in-vitro COc1ccc(/N=c2\oc3c(OC)cccc3cc2C(=O)NC[C@H]2CCCO2)c(OC)c1 12706075 CWZKGDIFKFYGIE-HIDBMEOHSA-N 438.480 3.600 0 40 IHAB Cc1cccc(OCC(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)cc2)c1C 12855514 WUDQVDZDBBSLQJ-UHFFFAOYSA-N 433.508 3.876 0 40 IHAB O=C(CNC(=O)c1cccc(Br)c1)Nc1ccc2c(c1)OC1(CCCC1)O2 12895425 FUFVBPHVOJNCEQ-UHFFFAOYSA-N 431.286 3.859 0 40 IHAB O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2sccc21)Nc1ccccc1C(F)(F)F 13532952 QIHVUJIQKGVYGH-UHFFFAOYSA-N 449.410 3.524 0 40 IHAB Cc1nn(-c2ccccc2)c(Cl)c1CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCO3)C1=O 14241972 XMMULBSKDFVXAE-QFIPXVFZSA-N 438.871 3.530 0 40 IHAB CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 15611379 UNCDWHSCBBLISA-AWEZNQCLSA-N 444.981 3.990 0 40 IHAB CN1CCCN(C(=O)c2ccccc2I)c2nc3ccccc3nc21 17364606 SQXPMWFNCWMSBR-UHFFFAOYSA-N 444.276 3.721 0 40 IHAB CNc1cc([C@H]2CCCN(C(=O)Cc3ccc(OC)c(OC)c3)C2)nc(-c2cccnc2)n1 19592168 WWSNPKIKWXSYTG-IBGZPJMESA-N 447.539 3.546 0 40 IHAB COc1ccc(-c2nc([C@@H]3CCCN(C(=O)CCc4ccccc4)C3)[nH]c2C(N)=O)cc1 19698835 MUASGUOEMMOQRS-LJQANCHMSA-N 432.524 3.523 0 40 IHAB Cc1nc([C@@H]2CCCN(C(=O)c3cc(-c4ccccc4F)no3)C2)nc2c1CCCN2C 19707019 YMGRCEXAZZXBEA-MRXNPFEDSA-N 435.503 3.981 0 40 IHAB CCN(C(=O)c1cnn(C)c1)[C@@H]1CCO[C@H](c2ccc(C(=O)Nc3nccs3)cc2)C1 19712693 AOTPKJNJKIEMDG-MOPGFXCFSA-N 439.541 3.511 0 40 IHAB O=C(CC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)NCc1ccc2[nH]c(=O)[nH]c2c1 19748602 LPPAXZHUOYHLQV-UHFFFAOYSA-N 446.473 3.794 0 40 IHAB Cc1nc([C@@H]2CCCCN2C(=O)c2cccnc2)ncc1C(=O)NCc1ccc(F)cc1 19766382 RQWQCMJDTOGLHP-NRFANRHFSA-N 433.487 3.617 0 40 IHAB COc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)NC(=O)CO4)c(C)s2)cc1OC 19796461 YHABYRMNIDYCLN-UHFFFAOYSA-N 425.466 3.719 0 40 IHAB COc1ccc(C)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 19860243 FBKBUBGDBPYMBU-QGZVFWFLSA-N 436.961 3.838 0 40 IHAB NS(=O)(=O)c1ccc2c(c1)CCN2Cc1cn(-c2ccccc2)nc1-c1ccccc1 22012966 IYGFTGJPUDNCNT-UHFFFAOYSA-N 430.533 3.749 0 40 IHAB Cc1noc(C)c1COc1cccc(C(=O)N2CCN(C(=O)CC3CCCC3)CC2)c1 23100545 OOEARUNWGUWJEL-UHFFFAOYSA-N 425.529 3.735 0 40 IHAB COc1cccc([C@H](CNC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)N2CCCC2)c1 27340454 JMOAXVCMFYAHIU-URXFXBBRSA-N 435.568 3.618 0 40 IHAB O=C(COC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1)Nc1ccccc1C(F)(F)F 30951879 BQIWDGKZIFOAJZ-LBPRGKRZSA-N 440.805 3.894 0 40 IHAB O=C(NC(=S)Nc1nc2ccc(N3CCOCC3)cc2s1)c1ccccc1Cl 32128007 QVRFCFVEVKSVJI-UHFFFAOYSA-N 432.958 3.913 0 40 IHAB Cc1cccc(N2C(=O)C[C@]3(CSc4[nH]c(=O)sc4[C@H]3c3ccccc3O)C2=O)c1 32594736 JQFGAWIBJBEFOV-VGOFRKELSA-N 438.530 3.638 0 40 IHAB Cc1csc(=O)n1CCCC(=O)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 32740748 MWNHLZDAQGXVHX-UHFFFAOYSA-N 432.933 3.893 0 40 IHAB Cc1sc2nc(SCC(=O)N3c4ccccc4NC(=O)C[C@H]3C)nc(N)c2c1C 32776956 UGNKQBCHTOVPON-SNVBAGLBSA-N 427.555 3.746 0 40 IHAB NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(CCc2ccc3c(c2)OCC3)C1 35570126 STVWFEWJRUQWRH-RUZDIDTESA-N 426.560 3.958 0 40 IHAB in-vitro COc1ccc2sc(N(CCCN3CCOCC3)C(=O)c3cc(C)oc3C)nc2c1 36707125 ZOORBPVKEVEMQA-UHFFFAOYSA-N 429.542 3.884 0 40 IHAB CC[C@](C)(C(=O)Nc1cc(OC)cc(OC)c1)N(C[C@@H]1CCCN2CCCC[C@H]12)C(C)=O 43883964 POZFQCFCTQXDEA-DNVKUUNQSA-N 445.604 3.924 0 40 IHAB COc1cc(N2C(=O)C[C@@H](c3ccccc3F)c3sc(=O)n(C)c32)cc(OC)c1OC 49547316 LSZPCNBIKGTEAE-AWEZNQCLSA-N 444.484 3.812 0 40 IHAB CCOc1cc(CNC(=O)c2nnn(-c3ccc(Br)cc3)c2C)ccc1OC 51318062 MBMOMPZGFIWMEP-UHFFFAOYSA-N 445.317 3.676 0 40 IHAB Cc1c(Cc2ccccc2)c(=O)oc2c3c(ccc12)OCN(CCCN1CCCC1=O)C3 57142645 AGGNSDKILDSCDH-UHFFFAOYSA-N 432.520 3.857 0 40 IHAB COc1cc(C)c(S(=O)(=O)Nc2c(C)cccc2C(=O)N2CCSCC2)cc1C 58308486 NILFCXOCCMUFJC-UHFFFAOYSA-N 434.583 3.610 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)c1cnc(N(Cc2ccccc2)C(C)C)nc1N 67336227 ACGNNKIRSSFFPV-UHFFFAOYSA-N 446.960 3.969 0 40 IHAB CC(C)NC(=O)N[C@H]1C[C@@H](Cc2cc(CN3CCN(c4ccccc4)CC3)on2)C1(C)C 67890170 ZMSQMZSCCVJORD-XXBNENTESA-N 439.604 3.662 0 40 IHAB biogenic,in-vitro O=C(N[C@H]1CCc2ccc(S(=O)(=O)NCCCN3CCCCCC3)cc21)C1CCCC1 72345808 POQDOKUSCWXPPR-QHCPKHFHSA-N 447.645 3.525 0 40 IHAB COc1cc2c(cc1CN1CCC[C@@H](c3cc(-c4cnn(C)c4)cc(C)n3)C1)OCCO2 72353762 RXBGUWNBGKHJDY-GOSISDBHSA-N 434.540 3.950 0 40 IHAB Cc1nc(C[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc(Nc2ncc(C)s2)n1 72382311 XZWHMNAQWQRUMB-QGZVFWFLSA-N 443.598 3.937 0 40 IHAB c1csc(-c2csc3nc(CN4CCOCC4)nc(N4CCc5[nH]ncc5C4)c23)c1 95385742 DQAJPHVWSZJXDX-UHFFFAOYSA-N 438.582 3.538 0 40 IHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(N2C[C@H](O)C[C@@H]2c2ccc(F)cc2)nc1 95441121 NBLHQWKARXZZIG-IFMALSPDSA-N 441.528 3.748 0 40 IHAB COc1ccc(CC[C@@H](C)NC(=O)Cc2cc3c(cc2Br)OCCO3)cc1 97160121 UCNHHTAGECOVNY-CQSZACIVSA-N 434.330 3.909 0 40 IHAB Cc1cccc(-c2cc3ncc4c(n3n2)C[C@@H]2CC[C@@H]4N2Cc2cnc(N(C)C)nc2)c1 100141189 IFLBIWAAYJBUQL-UGKGYDQZSA-N 425.540 3.823 0 40 IHAB O=C(C1=NO[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12)c1ccc2ccccc2c1 100355303 FWCNVJZIFZZVKR-YLJYHZDGSA-N 449.260 3.729 0 40 IHAB COc1ccc(CN(C(=O)c2ccccc2)[C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)cc1 100858287 HUFCRCIVCJTWQI-QFIPXVFZSA-N 432.451 3.809 0 40 IHAB Cc1nn(C(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)c2c1[C@@H]1[C@@H](C2)C1(C)C 104118530 FQAZSDGOMZMZSF-IERDGZPVSA-N 432.501 3.553 0 40 IHAB CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@@H]1C(=O)O 138644431 PNFSGKNIZOXLKU-FGZHOGPDSA-N 436.508 3.625 0 40 IHAB Cc1ccc(C)c([C@H](C)NC(=O)CN(c2ccc(C(F)(F)F)cc2)S(C)(=O)=O)c1 220047764 UHDRHDHAOSHVFL-HNNXBMFYSA-N 428.476 3.966 0 40 IHAB CCN(c1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1)S(=O)(=O)CC 222398390 UDURDYUDNSAUIL-UHFFFAOYSA-N 443.569 3.741 0 40 IHAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)Cc3ccccc3F)C2)c(C)c1 222562867 DRDALULYGZSAQY-HXUWFJFHSA-N 432.561 3.810 0 40 IHAB CCc1ccc(OCC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC)c(Br)c1 222906200 VZRSZUUXGGYDOS-MRXNPFEDSA-N 447.373 3.596 0 40 IHAB C[C@H]1CCCN(S(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)C1 223171658 XAKLUQFYSPUGTG-VIFPVBQESA-N 435.358 3.518 0 40 IHAB COc1ccc(S(=O)(=O)N(C)Cc2cccc(Cl)c2)cc1C(=O)N1CCCCC1 223873115 AXGOBPMPFLXCLO-UHFFFAOYSA-N 436.961 3.795 0 40 IHAB CC(=O)Nc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(F)cc3)c2)cc1 224172183 FBQHODNJHBTMRV-UHFFFAOYSA-N 441.484 3.862 0 40 IHAB CC(=O)NCCCCCC(=O)N1CCC[C@H]2O[C@H]3c4ccc(O)cc4OC(C)(C)[C@@H]3C[C@H]21 257277060 NWHBJPBJWXZKMM-CTVDGRRTSA-N 444.572 3.697 0 40 IHAB Cc1cccnc1CN1CCC[C@H]1c1cc2nc(C)c(CCC(=O)N3CCCC3)c(C)n2n1 257278698 ODGVQBOBYDFWNY-DEOSSOPVSA-N 446.599 3.942 0 40 IHAB Cc1nc([C@H]2CCCN(C(=O)c3cccnc3)C2)nc(C)c1CC(=O)Nc1ccccc1F 257324576 WPHWSQFYFJXSLC-IBGZPJMESA-N 447.514 3.829 0 40 IHAB CC(C)n1cnc([C@@H]2CN(Cc3cccs3)C[C@]23CCN(Cc2ccncc2)C3=O)c1 306123139 AFNOWIHCNVJUDF-XUZZJYLKSA-N 435.597 3.939 0 40 IHAB O=C(Nc1ccccc1)c1cn2c(nc1=O)[C@H]1CN(Cc3cc(Cl)ccc3F)C[C@H]1C2 306136565 PXDIWFVVRMOONU-YJBOKZPZSA-N 438.890 3.517 0 40 IHAB CCc1ccc(N2C[C@@H](C(=O)Oc3ccc(N4C(=O)CCCC4=O)c(C)c3)CC2=O)cc1 408657013 IDZMMVRBYRKIPY-SFHVURJKSA-N 434.492 3.559 0 40 IHAB Cc1cccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4C[C@@H](C)CC[C@H]4C3=O)cc2)c1 408657798 HRNOUWQWEUCLSI-DQLDELGASA-N 434.492 3.716 0 40 IHAB COC(=O)COc1ccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1OC 409006997 MMUPTTQQCDJZFB-UYRXBGFRSA-N 427.478 3.526 0 40 IHAB Cc1nc2cc([C@@H]3CCCN3C(=O)[C@@H]3C[C@H]3C)nn2c(C)c1CCC(=O)NC1CCCC1 409412792 FPKFMCMTQNOQCS-QPJICYPMSA-N 437.588 3.657 0 40 IHAB COc1ccc(CCNC(=O)[C@H]2CN(C)C[C@@H]2c2cccc(CNC3CCCC3)c2)cc1 585262565 SYYHQKQUDAAKHR-FTJBHMTQSA-N 435.612 3.732 0 40 IHAB O=C1NCCCCCOc2ccc(C(=O)NCCc3ccccn3)cc2Cc2cccc1c2 643577957 KOFWZONFPMRQRF-UHFFFAOYSA-N 443.547 3.937 0 40 IHAB Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CCCCC3)cc2c1 907671 AKITZGVZYRAHAY-QFIPXVFZSA-N 432.503 3.586 0 40 IHAB COc1ccccc1N(C[C@@H](O)COc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 2483276 NNJHIWSTINEANA-GOSISDBHSA-N 447.940 3.984 0 40 IHAB O=C(COC(=O)c1ccccc1NC(=O)c1ccco1)Nc1ccc2c(c1)OC(F)(F)O2 3334672 SROFLAUNIKTWQV-UHFFFAOYSA-N 444.346 3.649 0 40 IHAB COc1ccc(N2C(=O)CC[C@H](C(=O)N3CCCC3)[C@H]2c2ccc(OC)c(OC)c2)cc1 4756652 QCFULWBMHFQTRJ-GBXCKJPGSA-N 438.524 3.819 0 40 IHAB CCSc1nc(NCC(C)C)c2cnn(CCNC(=O)c3c(F)cccc3F)c2n1 8948878 QKVZUNNMRUEAGB-UHFFFAOYSA-N 434.516 3.714 0 40 IHAB O=C(Oc1ccc(Br)cc1)C1CCC(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)CC1 9094718 RYXUEXOADKCODB-FEXKMXLESA-N 444.325 3.720 0 40 IHAB O=C(CCN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O)Nc1ccc(O)cc1C(=O)O 9215991 KTGZULQYJBUFGI-DFBITEFZSA-N 438.461 3.712 0 40 IHAB C[C@H]1Cc2cc(C(=O)COc3ccc(Cl)c4cccnc34)ccc2N1S(C)(=O)=O 9222734 KTBBIASLNSCUDS-ZDUSSCGKSA-N 430.913 3.861 0 40 IHAB CC[C@@H](Sc1nc2nccnc2c(=O)n1Cc1ccccc1)C(=O)NC1CCCCC1 9405105 PPIYDLKHTUNVOI-GOSISDBHSA-N 437.569 3.554 0 40 IHAB CC1=C(C(=O)Nc2cccnc2)[C@H](c2ccccc2OCc2ccccc2)n2nnnc2N1 9444268 CGAQYZLBULBDOA-QFIPXVFZSA-N 439.479 3.575 0 40 IHAB Cc1ccc2nc(CSc3nnc(COc4ccc(Cl)cc4)n3C)cc(=O)n2c1 9464884 LVXASSMJFIMJPY-UHFFFAOYSA-N 427.917 3.656 0 40 IHAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)COc1ncnc2sc3c(c12)CCCCC3 9509301 CFKXWZVXDDLXGJ-UHFFFAOYSA-N 442.516 3.575 0 40 IHAB O=C(COC(=O)CCS(=O)(=O)c1ccc(Cl)cc1)Nc1cccc(C(F)(F)F)c1 9525840 OSXAYQCZOOCWEA-UHFFFAOYSA-N 449.834 3.705 0 40 IHAB O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)N[C@@H]1CCN(Cc2ccccc2)C1 9666162 DADTVRZXXOCOJZ-JOCHJYFZSA-N 429.520 3.599 0 40 IHAB Cc1ccc(CNC(=O)c2ccccc2NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1 9689790 KWMKYUGEMKNQDA-UHFFFAOYSA-N 449.532 3.611 0 40 IHAB O=C(CSC1=NS(=O)(=O)c2cc(F)ccc2N1)Nc1ccc(Cl)c(Cl)c1 9761974 LMEVTTAHTYDRQW-UHFFFAOYSA-N 434.301 3.975 0 40 IHAB CCOc1ccccc1NC(=O)[C@@H](C)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 10434391 QADMWWUFOKBTIV-CYBMUJFWSA-N 426.922 3.541 0 40 IHAB COc1ccccc1-c1noc(COC(=O)C2=NN(c3cc(C)ccc3C)C(=O)CC2)n1 11762560 YPUSSFXLMLNUNN-UHFFFAOYSA-N 434.452 3.588 0 40 IHAB Cc1c(NC(=O)CSc2cc(-c3ccccc3)ncn2)c(=O)n(-c2ccccc2)n1C 11903083 RKKZQJXMGFOAGW-UHFFFAOYSA-N 431.521 3.672 0 40 IHAB COc1cccc(OC[C@@H]2[C@H]3CC[C@H](C3)N2C(=O)c2cc(OC)c(OC)c(OC)c2)c1 12085269 JAVAMLPZBFIAOI-XAUMDUMWSA-N 427.497 3.793 0 40 IHAB COc1ccc(NC(=O)c2ccccc2C(=O)c2ccc(F)cc2)cc1NS(C)(=O)=O 12536068 HMUBOYOKQOUNST-UHFFFAOYSA-N 442.468 3.689 0 40 IHAB O=C(c1cncnc1)N1C[C@@H]2C[C@H](C1)c1ccc(-c3cccc(C(F)(F)F)c3)c(=O)n1C2 12601728 RERPXTUKHZFZPZ-GOEBONIOSA-N 440.425 3.584 0 40 IHAB biogenic,in-vitro O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)C12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2 12621151 ICGXGRFWYGNPPV-XFKLWTPLSA-N 446.960 3.794 0 40 IHAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 12621969 MJXXTGBVHUVAEC-UHFFFAOYSA-N 438.487 3.839 0 40 IHAB O=C1N(c2ccc(Cl)cc2)[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(C(F)(F)F)c1 12636207 VWYILPZCEBAWJO-CVEARBPZSA-N 430.835 3.971 0 40 IHAB Cc1ccc(NC(=O)[C@@H](OC(=O)[C@@H]2CCCN(C(N)=O)C2)c2ccccc2)cc1Cl 12689006 PLEZGBJXKWKUFL-APWZRJJASA-N 429.904 3.662 0 40 IHAB O=C(c1ccc2c(c1)CCC2)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 12986244 SMYBTDQEDJFVLO-UHFFFAOYSA-N 439.364 3.629 0 40 IHAB O=C(/C=C/c1cccc2cccnc12)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1 13008696 NASJOYNKCJDBND-SJFMBGHLSA-N 440.503 3.692 0 40 IHAB Cc1ccc(CCC(=O)N[C@H](Cn2nc(-c3ccc(F)c(F)c3)ccc2=O)C(C)C)o1 13227357 BDMDEQKQXWMTCX-OAQYLSRUSA-N 429.467 3.864 0 40 IHAB COc1cccc(-n2c(SCC(=O)Nc3nnc(C)s3)nnc2-c2ccoc2C)c1 13512400 BEWUUPKRODYUEB-UHFFFAOYSA-N 442.526 3.735 0 40 IHAB COc1ccc(OC)c([C@H]2CC(=O)Nc3nc(SCc4cccc(C)c4)[nH]c(=O)c32)c1 13567276 ZPTOIEYPXZNGQU-QGZVFWFLSA-N 437.521 3.862 0 40 IHAB CCOC(=O)c1ccc(C)c(NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)c1 13670942 ZRGRQYGEKWCUGR-UHFFFAOYSA-N 438.933 3.538 0 40 IHAB COc1ccc2oc(=O)c(-c3ccc(OCC(=O)N[C@H](CO)c4ccccc4)cc3)cc2c1 13736448 JXPCRJUTIOSCTA-HSZRJFAPSA-N 445.471 3.697 0 40 IHAB CCN(Cc1cccc(F)c1)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 14169088 BNHROBFPAVZQLI-UHFFFAOYSA-N 444.572 3.764 0 40 IHAB O=C(NC1CCCCCC1)c1sccc1S(=O)(=O)N1CCN(c2ccccc2)CC1 16845852 WVZOUBJNEBROGN-UHFFFAOYSA-N 447.626 3.712 0 40 IHAB COc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(OC)cc3OC)n2)c(OC)c1 17101299 XYSXCOCQSLSUHE-UHFFFAOYSA-N 437.452 3.621 0 40 IHAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 18130674 PAPUHBWSHQOUCK-UHFFFAOYSA-N 437.883 3.652 0 40 IHAB Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@H]2CCCN(C(=O)CCc3ccccc3)C2)n1 19290138 QJZCWMBZGDPNLU-NRFANRHFSA-N 444.583 3.816 0 40 IHAB Cc1n[nH]cc1C(=O)N1CC[C@](Cc2ccc(-c3ccccc3)cc2)(C(=O)NC(C)C)C1 19582250 IGHBUBPSPLUAHT-AREMUKBSSA-N 430.552 3.985 0 40 IHAB COc1cc(CN2CCN(C)C(=O)[C@@H](Cc3ccccc3-c3ccncc3)C2)cc(OC)c1 19589675 SRJSPPMKAIYLCN-QHCPKHFHSA-N 445.563 3.899 0 40 IHAB CN(CCO)C(=O)c1sc2ncccc2c1[C@@H]1CCN(Cc2cccc3cccnc23)C1 19702214 JZHXRDUQFQKBNU-GOSISDBHSA-N 446.576 3.898 0 40 IHAB CNC(=O)c1sc2ncccc2c1[C@@H]1CN(c2cc(C)nc(-c3ccccc3)n2)CCO1 19702635 DBRFHECFWYFLLB-SFHVURJKSA-N 445.548 3.999 0 40 IHAB CCn1c(=O)n(CC)c2cc(S(=O)(=O)Nc3ccc(Br)cc3F)ccc21 20215031 NCWKSMAIOFYQDB-UHFFFAOYSA-N 442.310 3.545 0 40 IHAB CC1(C)CC(=O)c2ccc(OCC(=O)N3CCN(C/C=C/c4ccccc4)CC3)cc2O1 20759942 NXYLDKZBETXCBF-RMKNXTFCSA-N 434.536 3.667 0 40 IHAB biogenic Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)Nc1nc(CN2CCOCC2)cs1 21129623 AMQTWAVRAWZQGJ-UHFFFAOYSA-N 449.939 3.573 0 40 IHAB CS(=O)(=O)N(CC(=O)NCCCc1ccc(Cl)cc1)c1cccc(C(F)(F)F)c1 22334482 WZGQNCCEBJRXDJ-UHFFFAOYSA-N 448.894 3.874 0 40 IHAB COc1ccc(CCCNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1 22334819 MEMGJAOALWNNQI-UHFFFAOYSA-N 445.368 3.517 0 40 IHAB CCCCCCNC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CCCC 25342569 KIZDZJAOWHQKSD-UHFFFAOYSA-N 436.622 3.716 0 40 IHAB Cc1cccc(NS(=O)(=O)c2cc(NC(=O)Cc3c(C)nn(C)c3C)ccc2C)c1 25367565 ZAFRLTPJGPHDLA-UHFFFAOYSA-N 426.542 3.636 0 40 IHAB COc1ccc([C@@H]2CCCN2CCC(=O)N2CCN(c3ccc(F)cc3)CC2)c(OC)c1 26908160 JWLBCZNAJJCACP-QHCPKHFHSA-N 441.547 3.719 0 40 IHAB Cc1cc(Br)ccc1SCC(=O)NC1CCN(C(=O)c2ccoc2)CC1 27099596 JCHXMJDOORZMDZ-UHFFFAOYSA-N 437.359 3.864 0 40 IHAB Cc1cccc(NC(=O)Cn2c(=O)nc(-c3ccco3)c3nc(N4CCCC4)sc32)c1 32615324 GVWLNOMUTBHFQX-UHFFFAOYSA-N 435.509 3.660 0 40 IHAB Cc1nc(-c2cc(C(=O)N3CCN(CCOc4ccccc4Cl)CC3)n(C)c2)cs1 32865886 BFBWXVFLDOPJIO-UHFFFAOYSA-N 444.988 3.947 0 40 IHAB Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5c(C)cc(Cl)cc54)[C@@H]3C2=O)cc1C 35851936 CZMKBYDMJFYOHV-PBQROFAYSA-N 449.938 3.696 0 40 IHAB COc1cc(CN(C)C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)ccc1OC(F)F 36740960 CCNQHTPCSSZLFP-SFHVURJKSA-N 444.478 3.797 0 40 IHAB COC(=O)c1ccccc1NC(=O)Cn1cnc2c(-c3ccc(C)cc3)csc2c1=O 38651750 KEXCGVJISMXOMI-UHFFFAOYSA-N 433.489 3.859 0 40 IHAB O=C(NCCc1nnc2ccccn12)c1ccccc1CSc1nc2ccccc2[nH]1 39981902 UFOZGDWKOHRZGB-UHFFFAOYSA-N 428.521 3.870 0 40 IHAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3cccc(-c4nc5ccccc5[nH]4)c3)ccc21 40162153 XCDQBPXMXIQYSN-UHFFFAOYSA-N 425.448 3.505 0 40 IHAB CC[C@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1)c1ccc(C)c(C)c1 44856579 VTKDZXCPJCFAPT-PXNSSMCTSA-N 436.961 3.751 0 40 IHAB O=C(NCc1ccc(F)cc1C(F)(F)F)c1ccc(S(=O)(=O)N2CCCCC2)o1 48275712 JJYYYINZHGSXIZ-UHFFFAOYSA-N 434.411 3.542 0 40 IHAB Cc1ccc(F)cc1NC(=O)Cn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2sccc21 57491983 VQOVTAKNWMTGDV-UHFFFAOYSA-N 443.887 3.954 0 40 IHAB COc1cc([C@@H]2CC(=O)Nc3c(C(=O)O)cn(-c4ccccc4F)c32)cc(OC)c1O 61720153 VBYXUWBRQQCFGV-LBPRGKRZSA-N 426.400 3.512 0 40 IHAB CCOc1ccccc1CNC(=O)c1cn(-c2cc(-c3nc(C(C)C)no3)ccn2)cn1 71768491 QHGAMOGQTYEFAF-UHFFFAOYSA-N 432.484 3.769 0 40 IHAB Cc1nc(C)n(C[C@H](C)C(=O)NC2CCN(CC3(c4cccc(F)c4)CCCC3)CC2)n1 72393462 FAGQUTDTJJNHAQ-SFHVURJKSA-N 441.595 3.763 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NCc1cn2cc(C)ccc2n1 78800466 WWDIZNRFKUTQAQ-UHFFFAOYSA-N 428.558 3.828 0 40 IHAB CCN(CCN(C)CC(F)(F)F)C(=O)CSc1nnc(-c2ccccc2C)n1CC 79022887 MQWBYMVDOAPZBR-UHFFFAOYSA-N 443.539 3.708 0 40 IHAB C[C@H](c1ccccc1Cl)N1CCN(C(=O)c2noc(Cc3ccccc3F)n2)CC1 89905804 HOQSKHSECHMKJP-OAHLLOKOSA-N 428.895 3.972 0 40 IHAB CC1CCN(S(=O)(=O)c2ccc(C(=O)OCC(=O)c3ccccc3Cl)cc2)CC1 89929993 ODBNDFMFJDLMMK-UHFFFAOYSA-N 435.929 3.800 0 40 IHAB COc1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1 107574665 FKOMZVODZWOVAK-UHFFFAOYSA-N 426.494 3.822 0 40 IHAB Cc1cccc(C)c1NC(=O)CSC(=S)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2 113481430 RIEHMTLPCKPGCA-IAGOWNOFSA-N 427.595 3.541 0 40 IHAB CCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C)cc2C)cc1 138848735 AZHCZNRHHXQYNT-UHFFFAOYSA-N 440.496 3.771 0 40 IHAB Cc1cn2nc(C(=O)Nc3ccc4c(c3)OCCO4)cc2c(N(C)Cc2ccccc2)n1 169776972 AKABGYBLIQUVHQ-UHFFFAOYSA-N 429.480 3.698 0 40 IHAB O=C(CCc1ccc(Cl)c(C(F)(F)F)c1)N1CCC(N2C(=O)CSC2=O)CC1 206981365 CVFQANHHGNPVMX-UHFFFAOYSA-N 434.867 3.978 0 40 IHAB CSc1cccc(N(CC(=O)NCc2ccc(Cl)cc2Cl)S(C)(=O)=O)c1 220062635 KLACQXHXTKZBKL-UHFFFAOYSA-N 433.382 3.798 0 40 IHAB CCCCNC(=O)c1ccccc1NC(=O)c1ccc(N(CC)S(=O)(=O)CC)cc1 222397789 HEFBBKJIMHHJCO-UHFFFAOYSA-N 431.558 3.645 0 40 IHAB CC(C)Oc1cccc(N(CC(=O)NCc2ccc3ccccc3c2)S(C)(=O)=O)c1 222805715 CXHQCOQANKUCSZ-UHFFFAOYSA-N 426.538 3.709 0 40 IHAB Cc1ccc(C)c(N([C@@H](C)C(=O)NCc2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1 223090618 UKXKMIXQTMIWMY-HNNXBMFYSA-N 428.476 3.793 0 40 IHAB COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1OC 223583041 AVDJXNIANFBHGC-UHFFFAOYSA-N 445.541 3.872 0 40 IHAB CC(C)c1ccccc1OCCNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 223836711 WMCFFXIWLAPCDN-UHFFFAOYSA-N 448.560 3.545 0 40 IHAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccccc1OC 223878259 PZUHQSKZHXJNMZ-CQSZACIVSA-N 439.339 3.934 0 40 IHAB CCCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)COc1ccc(OC)cc1 224032336 VPZZFTMJTOXSRP-HSZRJFAPSA-N 426.557 3.840 0 40 IHAB Cc1cc(C)cc(OCCNC(=O)[C@@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)c1 224076868 NAQXUZAWCRJMHT-QGZVFWFLSA-N 438.977 3.615 0 40 IHAB Cc1ccc(C(=O)NCCCN2CCCCCC2)cc1N(C)S(=O)(=O)c1ccccc1 224296649 FUUJNOYZGIRKFO-UHFFFAOYSA-N 443.613 3.816 0 40 IHAB CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc3c4c(cccc24)CC3)Oc2ccc(Cl)cc21 224480120 IXTPACSZSVBKMW-FQEVSTJZSA-N 442.924 3.758 0 40 IHAB COc1ccc(C(=O)N2CCC(C)CC2)cc1CN(c1ccc(F)cc1)S(C)(=O)=O 224761284 UZMQPTAZSBPSFY-UHFFFAOYSA-N 434.533 3.673 0 40 IHAB CCc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)cc1 225067401 DAKYAHSDLDZOTP-LSDHHAIUSA-N 438.977 3.943 0 40 IHAB Cc1n[nH]c(SCCNC(=O)[C@@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)n1 225910021 GAUSLUSGMUTCOW-CYBMUJFWSA-N 428.389 3.540 0 40 IHAB Cc1nc(C(=O)N2CCC[C@@H]3[C@H]2CCCCc2ccccc2OCC(=O)N3C)cs1 257218242 DCJGCVBCLFMKJH-WOJBJXKFSA-N 427.570 3.689 0 40 IHAB CN1CCN(c2cc(C(=O)N3CCC[C@H](Cc4ccc5ncccc5c4)CC3)ccn2)CC1 257283995 PAUOAQQUORHLEB-NRFANRHFSA-N 443.595 3.867 0 40 IHAB COc1ccc(CC(=O)N2CCC(c3n[nH]cc3C(=O)N3[C@@H](C)CCC[C@@H]3C)CC2)cc1 257293899 QRQNSAOQFQGBIB-ROUUACIJSA-N 438.572 3.770 0 40 IHAB CC(=O)Nc1cc(NC(=O)CN2CCOC[C@H](Cc3cccc4occc34)C2)ccc1C 257315357 VAYVKSSFPGLCED-LJQANCHMSA-N 435.524 3.829 0 40 IHAB Cc1cc(C)n(-c2cccc([C@H]3OCC[C@@]45C[C@@H](C[C@H]34)C(C)(C)[C@@H]5NC(=O)CCO)c2)n1 257345021 ZZPIOFKZSRIEDW-VSCLMIGZSA-N 437.584 3.870 0 40 IHAB O=C(NCc1ccc(F)cc1)c1nc(-c2ccnn2-c2ccc(F)cc2)n2ccncc12 306142895 XNKJXQGNRVWQJT-UHFFFAOYSA-N 430.418 3.790 0 40 IHAB O=C(c1ccc(OC(F)(F)F)cc1)N1CC[C@H](c2ccccc2F)S(=O)(=O)CC1 390831035 PEYYJPMONRMXQI-QGZVFWFLSA-N 431.407 3.726 0 40 IHAB Cc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3cccc(C)c3)[C@H]2c2ccc(Cl)cc2)cc1 409064242 BUULJJIFMJFRJN-LMOLPZMTSA-O 432.931 3.973 0 40 IHAB C[C@H](NS(=O)(=O)c1ccc(OCC(=O)N(C)Cc2ccccc2)cc1)c1ccccc1 409128523 FIDVCSLUQVNAAY-IBGZPJMESA-N 438.549 3.764 0 40 IHAB O=C(O)CN1C(=O)S/C(=C/c2cn(Cc3cccc(C(=O)O)c3)c3ccccc23)C1=O 409131062 JNDAYLFEQSEEGK-GIJQJNRQSA-N 436.445 3.509 0 40 IHAB CCCN1C(=O)S/C(=C\c2cn(CC(=O)NCCCOC)c3c(CC)cccc23)C1=O 409134806 QFKQYFXGJTWPLM-UYRXBGFRSA-N 443.569 3.803 0 40 IHAB COc1cc(OC)c(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@H]3C)C2=O)cc1Cl 409209866 GMBBJSVWGQKPTP-AXIYWZQUSA-N 438.933 3.795 0 40 IHAB CSc1ccccc1NC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1 409222282 WNDDUAMNBVHGEG-UHFFFAOYSA-N 442.562 3.905 0 40 IHAB COC(=O)c1ccc(-c2ccc3c(c2)C2(CCOCC2)CN3C(=O)CC(F)(F)F)cn1 585105919 ZBPQYOPXAWVKDV-UHFFFAOYSA-N 434.414 3.882 0 40 IHAB COc1ccc(-c2ccc3c([C@H]4CN(C(=O)c5ccnc(F)c5)CCO4)ncn3c2)cc1 585113155 PSESIDZIKKKZTE-OAQYLSRUSA-N 432.455 3.758 0 40 IHAB COc1ccc2c(=O)c(C(=O)N3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@H]56)[C@H]43)cn(C)c2c1 604405043 UUMMXSSKTYBNHN-XYOFRCHLSA-N 447.579 3.582 0 40 IHAB biogenic CC(C)(C)n1cc(C(=O)N2CCC[C@@H](N3CCCC3=O)C2)c(-c2ccc(F)cc2F)n1 607905672 DOQAFLBXDFTPSV-MRXNPFEDSA-N 430.499 3.810 0 40 IHAB Cc1c(S(N)(=O)=O)sc(C(=O)N[C@@H](C)c2ccc(F)cc2OC(F)F)c1Cl 1567200709 DWGIMXGUUUJQMV-ZETCQYMHSA-N 442.868 3.589 0 40 IHAB COc1ccccc1[C@@H]1CN(C(=O)C2(Cc3ccc(F)cc3)CCN(C)CC2)CCN1C 1848352605 XTEZDOSTBIOIDS-QHCPKHFHSA-N 439.575 3.604 0 40 IHAB O=C(N[C@H](c1ccccn1)[C@@H]1CN(Cc2ccc(F)c(F)c2)CCO1)c1cccc(F)c1 2037834597 TZTWLZVWKYJAOC-XZOQPEGZSA-N 441.453 3.871 0 40 IHAB COc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)cc1OC 1368171 WRHHDFHGNCWNTI-LLVKDONJSA-N 445.566 3.857 0 40 IHAB Cc1ccc(Nc2nnc(SCC(=O)N3CC(=O)Nc4ccccc43)s2)cc1C 2616600 UJZYFIMEVXOKOT-UHFFFAOYSA-N 425.539 3.976 0 40 IHAB CCOC(=O)CSc1nc2ccccc2c(=O)n1CCCn1nc(C)c(Cl)c1C 2733776 UAQKDZMWAMJYJX-UHFFFAOYSA-N 434.949 3.609 0 40 IHAB COC(=O)c1sc2ncn3nc(-c4ccc(Cn5cc(Cl)cn5)cc4)nc3c2c1C 2793102 SZWUERVJKDIZLH-UHFFFAOYSA-N 438.900 3.999 0 40 IHAB CC(=O)Nc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 8640582 LMNQVZPWJHSQAZ-UHFFFAOYSA-N 428.539 3.553 0 40 IHAB C[C@H](Nc1ccc2c(c1)OCO2)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 8718361 HDXYGUITIDVAGU-ZDUSSCGKSA-N 437.418 3.710 0 40 IHAB C[C@H](Sc1ccc(S(=O)(=O)N2CCCC2)cn1)C(=O)N[C@H]1CCCc2ccccc21 8718714 QFLAOGSFFVGKSQ-JXFKEZNVSA-N 445.610 3.541 0 40 IHAB Cn1c(=O)c2ccccc2n2c(CN3CCC(c4nc5ccccc5s4)CC3)nnc12 8747511 HTXPUFKMMDCKQP-UHFFFAOYSA-N 430.537 3.571 0 40 IHAB COc1ccc(-c2nnc(SCC(=O)NC(=O)NC3CCCCC3)n2C(C)C)cc1 8766727 WSCFNNGYULABCM-UHFFFAOYSA-N 431.562 3.785 0 40 IHAB CCOc1ccc(N2C(=O)N(c3cccc(C(F)(F)F)c3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 8828071 ROLXUASDTQVFEP-ZWKOTPCHSA-N 440.443 3.716 0 40 IHAB C[C@H](c1ccccc1)n1c(SCn2nnc3ccccc3c2=O)nc2ccccc2c1=O 8884375 AHYSBJUGBDYWRL-MRXNPFEDSA-N 441.516 3.861 0 40 IHAB C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)N2CCCc3ccccc32)C1=O 9124853 NCEOUPQWDUWUEO-NRFANRHFSA-N 432.307 3.740 0 40 IHAB O=C1NC(=O)[C@@]2(Cc3cc4ccccc4nc3N3CCCC[C@@H]32)C(=O)N1C1CCCCC1 9166817 LVGZWTUKNPJEAR-NLFFAJNJSA-N 432.524 3.547 0 40 IHAB CCCc1nnc2n1N[C@@H](c1ccc(OC)cc1)[C@H](C(=O)Nc1ccc(F)cc1)S2 9239077 DVTKRFBQHUUONR-RBUKOAKNSA-N 427.505 3.776 0 40 IHAB C[C@H](NC(=O)CN1C(=O)C(=O)N(CCC2=CCCCC2)C1=O)c1cccc2ccccc12 9256478 MVOBTPGGBLKKJK-KRWDZBQOSA-N 433.508 3.698 0 40 IHAB CC(C)COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC(C)C)[C@H]1c1ccc(Cl)cc1 9318239 PCHLMRSRHSVUTR-VAWZGJIGSA-N 438.948 3.778 0 40 IHAB Cc1cccc(-n2nc3c(c2NC(=O)COc2ccc(Cl)cc2)C[S@@](=O)C3)c1C 9413469 UKWRKAIMWNGLEA-LJAQVGFWSA-N 429.929 3.922 0 40 IHAB CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1 9614103 KUSCDOVDIPKGDQ-UHFFFAOYSA-N 440.521 3.999 0 40 IHAB COc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccncc2)n1-n1cccc1 9707823 WEKGLGJXDKVVCM-UHFFFAOYSA-N 440.916 3.846 0 40 IHAB Fc1cccc(-n2c(SCc3nc(-c4ccsc4)no3)nnc2N2CCOCC2)c1 9846601 FXRWOSVPGRHVKY-UHFFFAOYSA-N 444.517 3.647 0 40 IHAB Cc1nn(C)c(C)c1NC(=O)CSc1nnc(COc2ccccc2Cl)n1C1CC1 9995944 QVXWRWPLOVJEPO-UHFFFAOYSA-N 446.964 3.927 0 40 IHAB CCOc1cccc2c1OC1(CCN(C(C)=O)CC1)N1N=C(c3ccc(OC)cc3)C[C@@H]21 10214341 AFVAMLXKVBSWEX-QFIPXVFZSA-N 435.524 3.976 0 40 IHAB Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ccc4[nH]c(C)nc4c3)CC2)c(C)c1 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COc1ccc(N2C(=O)CN(c3cc(OC)ccc3OC)C(=O)[C@H]2c2ccccc2)cc1 15412540 FMHOHHVACFICBH-XMMPIXPASA-N 432.476 3.834 0 40 IHAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc2c(c1)NC(=O)[C@@H]1CCCN21 15664420 HBNWJQYPCCICSF-NRFANRHFSA-N 442.523 3.845 0 40 IHAB C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)o1 16234071 OYXLBXBTMWZMHT-XPAKDJPHSA-N 427.932 3.853 0 40 IHAB O=S1(=O)N=C([C@@H]2CCCN(Cc3ccnc(-c4ccccc4)n3)C2)Nc2ccccc21 19374398 CNPHZOZKWYPRTQ-GOSISDBHSA-N 433.537 3.569 0 40 IHAB CC(C)NC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CN(C(=O)C2CCCCC2)CCO1 19449673 IPDAAUWGFBVEAP-MHZLTWQESA-N 449.595 3.994 0 40 IHAB COc1ccc(-c2nnc3n2[C@H]2CCCC[C@H]2N(C(=O)c2oc(C)nc2C)C3)cc1OC 19559365 ACXLMOYGQPRRCJ-SJORKVTESA-N 437.500 3.707 0 40 IHAB Cc1nc([C@@H]2CCCCN2C(=O)c2cccnc2)nc2c1CCCN2CCc1ccccn1 19753003 LHJBCXFFMYSBFT-QHCPKHFHSA-N 442.567 3.938 0 40 IHAB Cc1nn2c(nnc3c(=O)n(-c4ccc5c(c4)OCO5)ccc32)c1-c1ccc(Cl)cc1 19821546 KWNKYZSTZSTJSG-UHFFFAOYSA-N 431.839 3.786 0 40 IHAB CC(=O)c1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3Cl)C2)c1 19859904 LSQZGMASBAWVRO-KRWDZBQOSA-N 434.945 3.723 0 40 IHAB CCc1nn2c(C)c(C(=O)Nc3ccc(OC)cc3)nnc2c1-c1ccc(OC)c(OC)c1 20797580 HEZOFNRDMIQOLM-UHFFFAOYSA-N 447.495 3.940 0 40 IHAB O=C(COC(=O)COc1ccc(Br)cc1F)Nc1cccc2ncccc12 21445646 QWQZJTDYMCKDEO-UHFFFAOYSA-N 433.233 3.697 0 40 IHAB CC(C)c1nnc(SCC(=O)Nc2ccccc2N2CCCC2=O)n1Cc1ccco1 22133477 TZYIVPILVMHITQ-UHFFFAOYSA-N 439.541 3.900 0 40 IHAB CCn1c(SCC(=O)c2ccc3c(c2)CCCC3)nc2cc(S(N)(=O)=O)ccc21 22309459 GVKZAZHOYCNTTC-UHFFFAOYSA-N 429.567 3.557 0 40 IHAB CCN(CC)[C@H](CNC(=O)[C@H](NC(=O)C1CCCCC1)C(C)C)c1cccc(OC)c1 22969341 UUPJTJGJUZKZQU-DHIUTWEWSA-N 431.621 3.915 0 40 IHAB O=C(c1csc(Nc2ccc(OC(F)F)cc2)n1)N1CCN(C(=O)c2ccco2)CC1 23136839 AWUXQYBOQHAJLG-UHFFFAOYSA-N 448.451 3.679 0 40 IHAB CCOc1ccc(OC[C@H](O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1 24843864 WQLTXUZLQKZUKE-OAQYLSRUSA-N 441.549 3.716 0 40 IHAB COC(=O)c1cccc2c1CCCN2C(=O)c1nn(-c2ccc(Cl)cc2)c(C)cc1=O 25193074 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Cc1nc(-c2ccc3c(c2)CCN3C(=O)CN(C)C[C@@H]2COc3ccccc3O2)cs1 31184137 CBHPERGYFDYONB-LJQANCHMSA-N 435.549 3.779 0 40 IHAB COc1cc2c(cc1OC)CN(C(=O)C[C@@H]1Sc3ccc(Cl)cc3NC1=O)CC2 31239345 WBIJULWLJZQMJG-IBGZPJMESA-N 432.929 3.745 0 40 IHAB O=C(NCc1cccnc1-n1ccnc1)c1cc(Br)c(Br)s1 32778085 TUDTZSXPJZQHRO-UHFFFAOYSA-N 442.136 3.784 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NCCN3CCC[C@@H](C)C3)cc2)c1 32931457 IIENPDMEMXZVOY-GOSISDBHSA-N 429.586 3.566 0 40 IHAB COc1cccc(NC(=O)c2cc(-c3ccc(C)c(C)c3)n([C@@H]3CCS(=O)(=O)C3)n2)c1 33325846 KWELQNRPVSJHKJ-LJQANCHMSA-N 439.537 3.787 0 40 IHAB O=C(CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)N1CCC[C@H]2CCCC[C@H]21 36784519 OLJWKCAANJOORF-LVCYWYKZSA-N 441.597 3.849 0 40 IHAB COc1ccc(Cc2nn(CN3CCC[C@H]3c3nnc4n3CCCCC4)c(=S)o2)cc1 40118707 NJJSRAAMZPSVJR-SFHVURJKSA-N 440.573 3.917 0 40 IHAB Cc1ccccc1N1CCN(C(=O)C2CCN(Cc3nc(-c4ccccc4)no3)CC2)CC1 40926833 QXDVFUHMBXYZAR-UHFFFAOYSA-N 445.567 3.606 0 40 IHAB COc1ccccc1C(=O)Nc1ccc(C(=O)OCc2cc(=O)n3c(C)csc3n2)cc1 41085949 GSXNNUKKWRASAX-UHFFFAOYSA-N 449.488 3.682 0 40 IHAB CCOc1ccc(NC(=O)NCC2CCN(C(=O)c3cccnc3SC)CC2)cc1 44001752 OELJKYLCOLOVLI-UHFFFAOYSA-N 428.558 3.876 0 40 IHAB CCc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)Nc1ccc(F)cc1 44803371 CBRKLEPTCLNVAK-UHFFFAOYSA-N 441.528 3.828 0 40 IHAB Cc1ccccc1NC(=O)Cn1c(=O)n(Cc2ccccc2Cl)c(=O)c2sccc21 57427886 CWSUYOGJMPQLSU-UHFFFAOYSA-N 439.924 3.874 0 40 IHAB COc1cc(/C=C/C(=O)NCCC(=O)O)cc(Br)c1OCc1cccc(C)c1 62715499 RJUNLBPDGUKIAB-VOTSOKGWSA-N 448.313 3.949 0 40 IHAB O=C(OCc1cc(=O)n2ccsc2n1)c1cccc(-n2nccc2-c2ccccc2)c1 63236986 BABSLNFXVWSCGZ-UHFFFAOYSA-N 428.473 3.966 0 40 IHAB Cc1cc2nc(SCC(=O)N[C@@H]3CCc4ccccc43)n(-c3ccccc3)c(=O)c2[nH]1 67236914 JVFCNZCVIJIARV-LJQANCHMSA-N 430.533 3.918 0 40 IHAB Cc1cc2nc(SCC(=O)NCc3ccc(C)c(C)c3)n(Cc3ccco3)c(=O)c2[nH]1 67299697 ZHZFMXZHQKWMJM-UHFFFAOYSA-N 436.537 3.700 0 40 IHAB Cc1c(Cl)cccc1NC(=O)CN1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 69657455 BQVFNPUVFUGXRV-OAQYLSRUSA-N 427.932 3.867 0 40 IHAB CN1C(=O)CC[C@@H](c2nc(-c3ccc(OCc4cccnc4)cc3)no2)[C@H]1c1cnn(C)c1 72289741 PKQZWCCWQMZPAM-IFMALSPDSA-N 444.495 3.521 0 40 IHAB CCOC(=O)[C@@H](C)n1ncc2c3sc(C)cc3n(Cc3cccc(OC)c3)c2c1=O 72334537 XFFUMFHCGUWZLU-CQSZACIVSA-N 425.510 3.902 0 40 IHAB Cc1cc(-c2cc(=O)n(CC(=O)c3ccc4c(c3)OCCO4)nc2-c2cccs2)on1 72337062 FMXRTPVJYPFRCV-UHFFFAOYSA-N 435.461 3.589 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H]1c1cc(Nc2cnccn2)cc(C)n1 72372652 KKUKCXLOGUNAPI-LJQANCHMSA-N 439.541 3.766 0 40 IHAB CC(C)(C)CC(=O)N1CCO[C@](Cc2cccc(-c3cccnc3)c2)(C(=O)N2CCCC2)C1 72389344 NIJXDRLNLHICHL-MHZLTWQESA-N 449.595 3.947 0 40 IHAB CC(C)N1CCc2c(O)nc([C@H]3CCCCN3C(=O)c3ccc4c(c3)C[C@@H](C)O4)nc2C1 72399104 CLVONTLHCYZYFV-IIBYNOLFSA-N 436.556 3.640 0 40 IHAB COCc1cc(C)nc2sc(-c3nc(-c4cc(OC)c5c(c4)OCO5)no3)c(N)c12 78549419 XSTDDCDUCXWMHQ-UHFFFAOYSA-N 426.454 3.788 0 40 IHAB CCOC(=O)c1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccco4)[C@@H]3C2=O)cc1 95545571 RMZWPBIXXJEQBB-HBMCJLEFSA-N 432.432 3.507 0 40 IHAB Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1C 107079013 JQCWYYPBVAAHAR-HNNXBMFYSA-N 445.313 3.601 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)N(c2cc(C)ccc2C)S(C)(=O)=O)c(C)c1 220550430 GLOSHMGZQLLFGV-HXUWFJFHSA-N 446.569 3.972 0 40 IHAB CN(C)S(=O)(=O)N(CC(=O)Nc1ccc2c(c1)oc1ccccc12)c1ccc(F)cc1 224190038 FACRGXWAJOBXMV-UHFFFAOYSA-N 441.484 3.977 0 40 IHAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc2c(c1)OCO2 225242243 KCAOHHIPZYHADJ-IRXDYDNUSA-N 428.504 3.819 0 40 IHAB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)[nH]2)cc1C 225283497 OCUFEIYMZCGZJI-FGZHOGPDSA-N 435.553 3.789 0 40 IHAB CC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)c1ccc(C)c(C)c1 225500691 UCVVTZFNZCEBMY-HSZRJFAPSA-N 444.597 3.980 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCSCc3cccc(C)c3)C2)cc1 225518436 SRELOTVGWUBLPJ-OAQYLSRUSA-N 446.638 3.754 0 40 IHAB CC(=O)Nc1ccc(NC(=O)CCCN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1 225605276 NTOFVUJDKBZIAS-UHFFFAOYSA-N 437.949 3.792 0 40 IHAB COc1cccc(C(=O)N(CN2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c2ccc(C)cc2)c1 226399417 QJZWTKQQZUCRIR-JHXGOWNISA-N 442.515 3.661 0 40 IHAB CC1(C)Cc2cccc(OCC(=O)NC[C@@](O)(c3ccsc3)c3cccs3)c2O1 238973971 ZRAZTSDOGIWSFC-JOCHJYFZSA-N 429.563 3.954 0 40 IHAB Cc1cccc(CN2CCC[C@@H]2c2cc3nc(C)c(CCC(=O)NCC4CC4)c(C)n3n2)n1 257279147 OFEFAUMKSYPQBY-XMMPIXPASA-N 446.599 3.845 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)NC1CCCC1)Cc1ccccc1 408618123 CWGRVSQBKDZWRJ-UHFFFAOYSA-N 436.961 3.598 0 40 IHAB COc1cccc(C(=O)CN(C(=O)c2ccccc2Cl)N2C(=O)c3ccccc3C2=O)c1 408658132 UZTVJWGPICJJLJ-UHFFFAOYSA-N 448.862 3.885 0 40 IHAB O=C(CN1C(=O)S/C(=C\c2ccc(O)c(Cl)c2)C1=O)N1CCc2ccccc2C1 409202009 NOUGDWPHYGJGBH-ZDLGFXPLSA-N 428.897 3.667 0 40 IHAB CC(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1 520512864 PLVAHKNTLVHLQV-QFIPXVFZSA-N 447.514 3.723 0 40 IHAB CC(C)(NC(=O)Cc1ccccc1)C(=O)N1CCC[C@@H](Cc2cccc3nccn23)CC1 585261733 AZDPZZGYHGEEEY-OAQYLSRUSA-N 432.568 3.643 0 40 IHAB COc1ccc([C@@H]2C[C@]3(C)NC(=O)CCC[C@@H]3N2CC(=O)Nc2cc(F)ccc2C)cc1 585262115 OIRMLPHCWPDCHP-HWBMXIPRSA-N 439.531 3.956 0 40 IHAB CC[C@H](C)[C@@H](C(=O)Nc1nc(-c2c(C)[nH]c3ccc(OC)cc23)cs1)n1cnnn1 604418707 NPXKEPLDAITAEU-VOJFVSQTSA-N 425.518 3.821 0 40 IHAB Nn1c(SCC(=O)Nc2ccc(F)c(F)c2)nnc1-c1ccc(Cl)cc1Cl 2355672 GINGTQMYYDIKDJ-UHFFFAOYSA-N 430.267 3.975 0 40 IHAB COc1ccc(C(=O)O[C@H]2CCCCC2=O)cc1S(=O)(=O)N1CCCc2ccccc21 2639272 UDFJJIGTXHHJIO-FQEVSTJZSA-N 443.521 3.505 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCC(Cc3ccccc3)CC2)cc1 3170702 XUTQPDXSBGBOOT-QHCPKHFHSA-N 426.582 3.629 0 40 IHAB CCN1CCC[C@@H]1CN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)NCc1ccccc1 8582671 BRJIZRMLCXFHJL-JOCHJYFZSA-N 448.567 3.733 0 40 IHAB Cc1cc(NC(=O)c2cnccn2)ccc1S(=O)(=O)Nc1ccc(Br)cc1 8710349 LXVLUMHWHSGYBT-UHFFFAOYSA-N 447.314 3.601 0 40 IHAB Cc1nn(C)c(C)c1C(=O)C(=O)OCC(=O)c1cc(C)n(CCC2=CCCCC2)c1C 9112859 YRUPXDOPWVGXFS-UHFFFAOYSA-N 425.529 3.955 0 40 IHAB O=C(C[C@]1(O)C(=O)N(Cc2cccc(F)c2)c2ccccc21)c1ccc2c(c1)OCCO2 9128800 BALLBUFABSMGDX-RUZDIDTESA-N 433.435 3.604 0 40 IHAB COc1ccc(CN(C(=O)c2oc3cc(C)ccc3c2C)[C@@H]2CCS(=O)(=O)C2)cc1 9345195 FKSUJFOKSWIKOM-GOSISDBHSA-N 427.522 3.888 0 40 IHAB Cn1ccnc1SCC(=O)Nc1ccccc1C(=O)NCCc1c[nH]c2ccccc12 9375965 LHTPRRFZMQBPQV-UHFFFAOYSA-N 433.537 3.605 0 40 IHAB O=C(CCCn1cnc2ccccc2c1=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 9452437 KZKXVJPZVJTWIW-UHFFFAOYSA-N 444.457 3.544 0 40 IHAB CCOC(=O)c1[nH]c2ccccc2c1NC(=O)CCN1CCN(c2ccc(F)cc2)CC1 9478038 XIYBGGJHXAURQX-UHFFFAOYSA-N 438.503 3.635 0 40 IHAB O=C1N[C@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1nc(-c2ccsc2)no1 9497789 NXQFOGDBOUTEQA-HSZRJFAPSA-N 430.489 3.988 0 40 IHAB Cn1cc(C(=O)Nc2cc(Cl)ccc2Cl)c2[nH]c(=O)n(Cc3ccccc3)c(=O)c21 9659705 MIAHDTLHDBQWOP-UHFFFAOYSA-N 443.290 3.636 0 40 IHAB CCOC(=O)c1c(C)[nH]c(C(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1C 9671295 SCFCEIFLAWDBOH-LLVKDONJSA-N 427.526 3.587 0 40 IHAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cc2c(s1)CCCCCC2 9729227 YTFBJDXEAOVMBY-UHFFFAOYSA-N 434.583 3.680 0 40 IHAB COc1ccc([C@]2(C)NC(=O)N(Cc3ccc(Br)cc3F)C2=O)cc1OC 9908466 JKTGMXNMMVAVHA-IBGZPJMESA-N 437.265 3.573 0 40 IHAB Cc1ccc(N2CCn3c2nc2c3c(=O)n(CCCc3ccccc3)c(=O)n2C)cc1Cl 10233771 XJCJQCLDCZKWSH-UHFFFAOYSA-N 449.942 3.643 0 40 IHAB CCCCOC(=O)c1cc(NC(=O)CN2C(=O)COc3ccc(C)cc32)ccc1Cl 10820716 KDIINKCSOGPAHM-UHFFFAOYSA-N 430.888 3.969 0 40 IHAB O=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCC(CCc2ccccc2)CC1 11228656 XXYKDMJGQDTTRP-UHFFFAOYSA-N 440.609 3.959 0 40 IHAB COc1ccccc1N(CCC(=O)Nc1nccs1)S(=O)(=O)c1ccc(C)cc1 11544255 DGIPXUDVEMFTHX-UHFFFAOYSA-N 431.539 3.684 0 40 IHAB Cc1ccc(CSC2=NCCN2C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 11757716 YSSLFFLWSCLLTH-UHFFFAOYSA-N 443.594 3.525 0 40 IHAB COc1ccc(-c2ccc(SCC(=O)Nc3ccc(NC(C)=O)cc3)nn2)cc1OC 12140448 INMABBYPQAMJHW-UHFFFAOYSA-N 438.509 3.850 0 40 IHAB COc1ccc(NC(=O)Cn2c(=O)n(-c3ccccc3)c(=O)c3oc4ccccc4c32)cc1 12140721 GSMUTZITTFCUFT-UHFFFAOYSA-N 441.443 3.546 0 40 IHAB Cc1cc(C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)c4ccc5c(c4)OCCO5)C3)cc2n1 12257618 GPBNEKAXHJGULJ-OAHLLOKOSA-N 446.429 3.848 0 40 IHAB CCN(CC)CCN(C(=O)C1=COCCO1)c1nc2c(OC)ccc(Cl)c2s1 12345273 RICWKTIYOLKINK-UHFFFAOYSA-N 425.938 3.521 0 40 IHAB NC1=Nc2nc3ccccc3n2[C@@H](c2cc(Br)ccc2OCc2ccccn2)N1 12520469 YOWHELYWFZNZRH-IBGZPJMESA-N 449.312 3.869 0 40 IHAB O=C(CNc1cccc(S(=O)(=O)N2CCCCC2)c1)Nc1ccc(C(F)(F)F)cc1 12521720 QLWPKPQADRHJGQ-UHFFFAOYSA-N 441.475 3.931 0 40 IHAB COc1cccc([C@@H](CNC(=O)[C@@H](NC(=O)c2ccc(F)cc2)C(C)C)N2CCCC2)c1 12781618 PSVKQBNKSJAMTB-PKTZIBPZSA-N 441.547 3.542 0 40 IHAB Cc1c(C(=O)N(C)C[C@@H]2COc3ccccc3O2)cnn1-c1ccc(Br)cc1 12856554 LWSOGJDBXQNRPQ-QGZVFWFLSA-N 442.313 3.855 0 40 IHAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2cnn(-c3cccc(C)c3)c2C)c1 12866277 PMJMDRBPVNQEOD-UHFFFAOYSA-N 426.542 3.772 0 40 IHAB Cc1ccc(NC(=O)CSCC(=O)N(C)CC(=O)Nc2cccc3ccccc23)cc1 13012110 INBKIMKOZNZUMS-UHFFFAOYSA-N 435.549 3.917 0 40 IHAB CC(C)c1cc(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c2ccccc2n1 13148505 GOBAYOXAATWOGC-UHFFFAOYSA-N 439.537 3.631 0 40 IHAB O=C(c1ccccc1)[C@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2CCCN21 13557201 FLDJJCYEBBLJOE-NCXUSEDFSA-N 428.410 3.541 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CCCN(c2cc(C)ccc2C)S(C)(=O)=O)c(C)c1 13672861 LXUHQHSWCWEGKP-UHFFFAOYSA-N 446.569 3.973 0 40 IHAB COC(=O)c1cccc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3)[nH]2)c1 14152723 PNGOOJYITLMZFO-UHFFFAOYSA-N 432.889 3.555 0 40 IHAB CC(=O)N[C@@H](CC(=O)NCCNc1ncc(C(F)(F)F)cc1Cl)c1cccs1 14529013 JDRQFNJFVVLMEA-ZDUSSCGKSA-N 434.871 3.611 0 40 IHAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)Oc3ccc(-n4cnnn4)cc3)cc12 14790833 NQUYPFKQZDGZON-UHFFFAOYSA-N 434.456 3.789 0 40 IHAB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)cc2)cc1C 15601090 NHOXCRMCHDEVJE-UHFFFAOYSA-N 436.493 3.526 0 40 IHAB Cc1ccc(-c2nnc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3cccs3)o2)cc1C 17053300 DCJPBRKAIYQCOR-MRXNPFEDSA-N 446.554 3.597 0 40 IHAB CCCOc1ccc(N2C(=O)C[C@H](N3CCC(Oc4ccc(OC)cc4)CC3)C2=O)cc1 18222845 NKFABEUDURBCPP-QHCPKHFHSA-N 438.524 3.659 0 40 IHAB Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)Cn2ccnc2C(C)C)cc(N(C)C)n1 19240883 LYXYYBVAAMZCMC-OAQYLSRUSA-N 445.571 3.752 0 40 IHAB Cc1nccn1C[C@H](C)C(=O)N1CCN(C)C(=O)[C@@H](Cc2ccc(-c3ccccc3)cc2)C1 19287705 XLGBTBYWBUUOFO-CPJSRVTESA-N 444.579 3.654 0 40 IHAB Nc1nc(C(=O)N2CCc3nc(-c4cccnc4)nc(Nc4cccc(F)c4)c3C2)cs1 19293979 VWDOFGSKKYDUAP-UHFFFAOYSA-N 447.499 3.659 0 40 IHAB O=C(Cc1ccncc1)N1CCc2nc(N3CCCC3)nc(Oc3ccc(F)cc3)c2C1 19336034 GQXLIHDNBREBGV-UHFFFAOYSA-N 433.487 3.531 0 40 IHAB CC(C)NC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)[C@H]2C[C@@H]2C)CCO1 19463495 FTMYFZDPROOUPC-REIDKSKDSA-N 426.582 3.736 0 40 IHAB CN(C)c1ncc(-c2ccccc2F)c([C@@H]2CCCN(C(=O)c3n[nH]c4c3CCCC4)C2)n1 19693920 BBIZXHAZOOMDSP-MRXNPFEDSA-N 448.546 3.970 0 40 IHAB O=C(CN1CCC([C@H]2CCCCN(Cc3ccccc3)C2=O)CC1)Nc1nccs1 19744083 LBYQKXKRZSLBSP-HXUWFJFHSA-N 426.586 3.623 0 40 IHAB CC(C)c1ccccc1N(CC(=O)Nc1cccc(Br)c1)S(C)(=O)=O 22380412 HYEUVOSQJVEGPW-UHFFFAOYSA-N 425.348 3.977 0 40 IHAB Cc1c(C(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)cnn1-c1ccccc1C(F)(F)F 24750608 YHMQITVQSQHQFL-UHFFFAOYSA-N 447.442 3.770 0 40 IHAB COC(=O)c1cc(NC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)cc(C(=O)OC)c1 24834318 YLHIQTKGYASWCV-UHFFFAOYSA-N 442.468 3.788 0 40 IHAB COc1ccc([C@H]2CCCN2C(=O)C[C@@H](NC(N)=O)c2ccccc2Cl)cc1OC 25613740 VRUPRGGKKPXEFL-QZTJIDSGSA-N 431.920 3.820 0 40 IHAB O=C(COc1ccc(F)cc1)Nc1sc2c(c1C(=O)NCc1cccnc1)CCC2 27663108 GRLCKBYEOXONAW-UHFFFAOYSA-N 425.485 3.718 0 40 IHAB C[C@H](Oc1ccc(F)cc1)C(=O)N(Cc1cccc2ccccc12)[C@@H]1CCS(=O)(=O)C1 28228571 WUKUQZINIBFXAP-LAUBAEHRSA-N 441.524 3.962 0 40 IHAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1ccccc1I 30214581 COVXIOQMCUDVRH-GFCCVEGCSA-N 443.306 3.528 0 40 IHAB COc1ccc([C@@H](CC(C)C)NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 30858298 KYBCRIYGIPKELZ-OAQYLSRUSA-N 432.586 3.982 0 40 IHAB COc1ccc(-c2csc(CCNC(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1 31848814 XOJYAGFTIFNXGI-UHFFFAOYSA-N 428.510 3.817 0 40 IHAB CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N(C)C[C@@H]1COc2ccccc2O1 32674281 LFQJLHAOSAJZNM-QOIAYPMSSA-N 440.584 3.642 0 40 IHAB COc1ccc(NC(=O)c2nnc(CN(C)CCOc3cccc(Cl)c3)s2)cc1 32753108 KPBAWKVOCSNZQU-UHFFFAOYSA-N 432.933 3.963 0 40 IHAB CCNc1ccc(S(=O)(=O)N(C)C)cc1NCc1cc(-c2ccc(OC)cc2)no1 32865635 CEBHHGNYEVAFNN-UHFFFAOYSA-N 430.530 3.644 0 40 IHAB CC1CCN([C@@H](CNC(=O)COc2ccc3c(c2)CCC(=O)N3)c2cccs2)CC1 32907933 HVLNAGHARSTZGP-FQEVSTJZSA-N 427.570 3.601 0 40 IHAB COc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2([C@@H](C)O)c2ccccc21 33926987 JSQDKYULULSUCM-XLGDECSMSA-N 425.484 3.627 0 40 IHAB CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OCC[C@H](O)CN1CCN(Cc3ccc4c(c3)OCO4)CC1)C2 35075026 ICIPEATVNUOASK-FAWCNTJRSA-N 444.616 3.515 0 40 IHAB COc1c2c(cc3c1[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N(C)CC3)OCO2 35780898 UANHUPNCALBPHC-HSZRJFAPSA-N 430.504 3.859 0 40 IHAB biogenic Clc1cccc(-c2nc(CN3CCN(Cc4nnc5n4CCCCC5)CC3)co2)c1 40105785 QFTYEJCXXBQVPZ-UHFFFAOYSA-N 426.952 3.631 0 40 IHAB CCOC(=O)C1(NC(=O)c2cc(Br)c(OCC)c(OC)c2)CCCCC1 40134632 PLXSZNMJBRHKDL-UHFFFAOYSA-N 428.323 3.852 0 40 IHAB Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)CCCc3nc(-c4cccs4)no3)C2)nc1 40145926 NIFFSWNJRTXPDG-MRXNPFEDSA-N 439.541 3.702 0 40 IHAB CC[C@@H](NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1)c1ccccc1 44901019 PZVXFGGUASCHCB-OFNKIYASSA-N 436.533 3.910 0 40 IHAB Cc1noc2nc(-c3ccccc3F)cc(C(=O)NCC(=O)N(C)Cc3ccccc3)c12 48276022 ALQKEZNDCIVIKI-UHFFFAOYSA-N 432.455 3.726 0 40 IHAB Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NCCN1C[C@@H](C)O[C@H](C)C1 48342302 JDERLGMPOJXKHA-ZIAGYGMSSA-N 439.387 3.564 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)c2ccsc2C(=O)NCc2ccccn2)cc1Cl 49004151 NCEYCNMWMJMIDM-UHFFFAOYSA-N 435.958 3.860 0 40 IHAB CCOC(=O)c1ccc(N2CCCN(c3nc(C)nc4sc5c(c34)CCC5)CC2)nc1 57996942 JUTYYAIPKISHKZ-UHFFFAOYSA-N 437.569 3.777 0 40 IHAB CCc1cccc(CC)c1NC(=O)CN1C(=O)N[C@@](c2ccccc2)(C(F)(F)F)C1=O 58249324 OTGJXOHDLRJNPA-OAQYLSRUSA-N 433.430 3.760 0 40 IHAB CCCCN(C)S(=O)(=O)N1CCC2(CC1)C[C@H]2c1nc(-c2cccc(Cl)c2)no1 69652447 ZDAVAEFNNPJOGY-KRWDZBQOSA-N 438.981 3.936 0 40 IHAB C[C@@H](Sc1nncn1C)C(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 70005924 BNADWCOCUVQJGL-CQSZACIVSA-N 442.416 3.727 0 40 IHAB COC(=O)c1ccc(NC(=O)CSc2nnc(NC(=O)c3cc(C)oc3C)s2)cc1 70634999 PJETZMCCKNBPPX-UHFFFAOYSA-N 446.510 3.518 0 40 IHAB CC[C@H](C)N1C(=O)c2ccccc2[C@H](C(=O)Nc2nnc(COC)s2)C12CCCC2 71280852 IESWRLNMHKEQIV-KBXCAEBGSA-N 428.558 3.974 0 40 IHAB COc1ccc(CC(=O)N2C[C@@H]3CCCCN(CCOc4ccccc4)[C@@H]3C2)cc1OC 72330673 FMISBXDJIPJSNI-JTHBVZDNSA-N 438.568 3.638 0 40 IHAB O=C(Cn1nc2nnc(-c3ccccc3)c(-c3ccccc3)n2c1=O)c1ccc(F)cc1 72339936 JRDLPSTWBLUYFC-UHFFFAOYSA-N 425.423 3.642 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC[C@H]2c2nc(N)ncc2-c2ccc(F)cc2)cc1 72376938 JHFFJFMOWZTBLM-FQEVSTJZSA-N 442.516 3.789 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc1C 95950230 NBVBVORTHXZFIT-UHFFFAOYSA-N 428.963 3.542 0 40 IHAB O=C(O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Br)cc1 113886287 MGYLYEDCDPWWJF-UHFFFAOYSA-N 438.221 3.748 0 40 IHAB CCC[C@H](NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C)c1cncc(S(C)(=O)=O)c1 116126041 CYPBTHPQJZHJCN-FQEVSTJZSA-N 446.960 3.904 0 40 IHAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)OC(C)=O)[C@@]4(C)CC(=O)[C@@]32O)C1 118934504 BTCDWECIWQGRNF-ZLEMFYHWSA-N 434.573 3.823 0 40 IHAB CS(=O)(=O)N1C[C@H](C(=O)Nc2cccc(Cl)c2Cl)Oc2ccc(Cl)cc21 216388209 YLGDCOZAMOXCJL-CQSZACIVSA-N 435.716 3.813 0 40 IHAB CC(C)c1ccccc1N(CC(=O)NCCCN1CCCc2ccccc21)S(C)(=O)=O 219146915 XVOSKIGPSGFNCN-UHFFFAOYSA-N 443.613 3.535 0 40 IHAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 219979035 QACHQUJWZYLWQT-HXUWFJFHSA-N 428.554 3.812 0 40 IHAB CCOC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c(C)c1 219984663 HCBIKLHTAIKHJY-UHFFFAOYSA-N 430.526 3.599 0 40 IHAB COc1cc(N(CC(=O)Nc2ccccc2C(C)C)S(C)(=O)=O)c(OC)cc1Cl 220056516 GKQIVJSYMFRGSJ-UHFFFAOYSA-N 440.949 3.885 0 40 IHAB COc1ccc(-c2ncc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)c(C)n2)cc1 223146688 GEFNKWVFKUIMDM-RMKNXTFCSA-N 428.536 3.932 0 40 IHAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCCN2CCc3ccccc32)cc1 225248868 HJLHMBBZLYMLGU-NKFKGCMQSA-N 445.519 3.628 0 40 IHAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc2c(c1)OCO2 225415007 IDMMBQRGJHIDIZ-ZWKOTPCHSA-N 440.540 3.689 0 40 IHAB Cc1cc(Br)cc(C)c1NC(=O)CN(Cc1ccc(F)cc1)S(C)(=O)=O 226060363 HHGHDTOZGIYLAR-UHFFFAOYSA-N 443.338 3.605 0 40 IHAB O=C(c1cc(COc2ccccc2F)on1)N1CC[C@H](O)[C@@H](Oc2ccccc2F)CC1 257217582 CZOLTEFJHIPRIQ-UGKGYDQZSA-N 444.434 3.576 0 40 IHAB Nc1ccc(-c2cccc([C@H]3CN(C(=O)CCc4c[nH]c5ccccc45)CCO3)n2)cn1 257282364 OTLXAJWZWOHCTP-HSZRJFAPSA-N 427.508 3.740 0 40 IHAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCCCN3CCC[C@H](C)C3)c2)cc1 260565793 UYPUVSUPAQEAMK-FQEVSTJZSA-N 443.613 3.672 0 40 IHAB COc1ccc(-c2ccc(CCC(=O)O)n2NC(=O)C(=O)Nc2ccc(Cl)cc2)cc1 408564545 ZJMNCYNQLNOTKE-UHFFFAOYSA-N 441.871 3.543 0 40 IHAB Cc1cccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3ccc(C)cc3C)n2C)c1 409144019 PATFKRZSFSYCFR-QGZVFWFLSA-N 437.569 3.962 0 40 IHAB Cc1cc(N2C(=O)[C@@H]3C4c5ccccc5C(Br)(c5ccccc54)[C@H]3C2=O)no1 409206832 QJVWBPBESYRRIA-IDPGXWOASA-N 435.277 3.886 0 40 IHAB Cc1ccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3cccc(Cl)c3)n2C)cc1 409351100 ZJGCDWCOZXRCPH-CQSZACIVSA-N 443.960 3.999 0 40 IHAB CCN1CCN(Cc2cncc(F)c2)CCOc2ccccc2Oc2ncccc2C1=O 643571928 RFFCCAPQUJXOFG-UHFFFAOYSA-N 436.487 3.765 0 40 IHAB CC[C@@H](c1ccccc1)c1nnc(NC(=O)Cc2csc(S[C@H](C)C(N)=O)n2)s1 1514806408 SNBRRZMYFURDLA-RISCZKNCSA-N 447.611 3.684 0 40 IHAB COCc1n[nH]c(NC(=O)c2ccc(N3CCN(C)CC3)cc2)c1-c1ccc(Cl)cc1 2037850103 VUUGYFODVFTBGK-UHFFFAOYSA-N 439.947 3.881 0 40 IHAB Cc1ccc(C(=O)N2CCC3(CCCCc4ccccc4OCC(=O)N(C)C3)CC2)cn1 2037949707 SDAKVOPZXAYKRF-UHFFFAOYSA-N 435.568 3.876 0 40 IHAB Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3cccnc3)C(=S)NC[C@@H]3CCCO3)cc12 878467 GHBIFAHCTBQJNX-FQEVSTJZSA-N 436.581 3.596 0 40 IHAB Cc1ccc(C)c(NC(=O)COC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)c1 1943816 IZUCWIANEICXQI-UHFFFAOYSA-N 428.444 3.900 0 40 IHAB O=C(COC(=O)c1ccccc1OCc1ccc(F)cc1)Nc1ccc2c(c1)OCCO2 2660551 DDEWQLAEXGKOIW-UHFFFAOYSA-N 437.423 3.971 0 40 IHAB O=C1CCC[C@]2(O)[C@@H]1[C@H](c1cccc(Br)c1)NC(=O)N2Cc1ccccc1 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C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)N(c2ccccc2)C2CCCCC2)C1=O 9548998 XKFOUWCOXVSQRY-VWLOTQADSA-N 449.507 3.548 0 40 IHAB COCCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nc2sc3c(c2c1=O)CCC3 9625919 HWNKTHQKQULXMV-UHFFFAOYSA-N 443.594 3.941 0 40 IHAB Cc1cc(NC(=O)c2ccc(F)cc2F)n(-c2ncnc3c2cnn3-c2ccc(F)cc2)n1 9661245 DVRKPFUVCAJKDU-UHFFFAOYSA-N 449.396 3.979 0 40 IHAB O=C(Nc1nc2c(s1)Cc1ccccc1-2)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 9664117 LKNLGDURMQKEEO-HNNXBMFYSA-N 445.591 3.958 0 40 IHAB Cc1ccc(S(=O)(=O)c2nnn3c2nc(NC2CC2)c2cc(Cl)ccc23)cc1C 9830016 NSONBKPDHUUIHX-UHFFFAOYSA-N 427.917 3.955 0 40 IHAB CS(=O)(=O)N1CCCc2cc(C(=O)COC(=O)c3cc4ccccc4s3)ccc21 9877090 JFKIVVFOTLLBLC-UHFFFAOYSA-N 429.519 3.653 0 40 IHAB CCOc1ccccc1NC(=O)Cn1cc(OC)c(=O)cc1CSc1nc(C)cs1 10254648 FYTLBWGKWZUFMG-UHFFFAOYSA-N 445.566 3.952 0 40 IHAB Cc1c(C)n2c3c(=O)n(Cc4ccc(Cl)c(Cl)c4)c(=O)n(C)c3nc2n1C(C)C 10271920 PBEDQYPBSSDHPK-UHFFFAOYSA-N 434.327 3.702 0 40 IHAB O=C(Nc1cccc(Br)c1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 10755611 FOSGLVCLNYSJJH-LBPRGKRZSA-N 429.361 3.550 0 40 IHAB O=C(Nc1nc(CCC(=O)N2CCN(c3ccccc3F)CC2)cs1)c1ccccc1 11796790 RRCNHEHUDGJBEY-UHFFFAOYSA-N 438.528 3.816 0 40 IHAB COc1cc(C(=O)N[C@@H](c2ccccc2)c2nccn2C)cc(OC)c1Br 12507611 LSOCHJYDZACFMA-SFHVURJKSA-N 430.302 3.719 0 40 IHAB O=C(Cn1c(CN2CCCCC2)nc2scc(-c3cccs3)c2c1=O)N1CCCC1 12613974 QMAWXEJNPXAJDY-UHFFFAOYSA-N 442.610 3.795 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2Cl)cc1NC(C)=O 12945302 DLZXEDGYHFKRMK-UHFFFAOYSA-N 433.711 3.870 0 40 IHAB COc1cccc(CNC(=O)/C=C/c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 13012237 GASOSZFAVAYNDO-SDNWHVSQSA-N 428.554 3.590 0 40 IHAB CCOc1c(Cl)cc(/C=C/C(=O)N(CC)CC(=O)NCc2cccs2)cc1OC 13012527 ZLCCCJGQCNNENK-CMDGGOBGSA-N 436.961 3.987 0 40 IHAB COc1ccc(Cn2nnnc2[C@H](c2ccccc2)N2CCN(c3ccccc3)CC2)cc1 13504923 BGWYFLOALYHEFD-VWLOTQADSA-N 440.551 3.642 0 40 IHAB COc1ccc(OC)c(NC(=O)CN2c3ccc(C)cc3-c3ccccc3S2(=O)=O)c1 13566671 HJKMGXYWXMISCB-UHFFFAOYSA-N 438.505 3.827 0 40 IHAB CC(=O)Nc1ccc(OC(=O)C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1 14627827 AIPGTJWZPFIUTB-UHFFFAOYSA-N 444.553 3.577 0 40 IHAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3F)cc2)C1 16121825 PJLIRXSJLRVJAZ-CYBMUJFWSA-N 446.953 3.701 0 40 IHAB COC(=O)c1cc(/C=c2\sc3nc4ccccc4n3c2=O)c2sc3ccccc3n12 16189933 URLWTCAFIHWFAO-WQRHYEAKSA-N 431.498 3.711 0 40 IHAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccc(OCc3ccccc3)c2)N1CCO 16753366 BKSAUHVKSCNPOB-QHCPKHFHSA-N 427.456 3.910 0 40 IHAB CC(=O)Nc1ccc(NC(=O)CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2C)cc1 16840942 ILRAVAAIOQAEOZ-UHFFFAOYSA-N 447.520 3.618 0 40 IHAB Cc1cccc(-c2cccc(C[C@@]3(C(N)=O)CCCN(C(=O)CCn4nccc4C)C3)c2)c1 19235428 HMYPBASTAFZQJE-MHZLTWQESA-N 444.579 3.894 0 40 IHAB CCC(CC)C(=O)N1CCC(c2cc3nc4c(c(O)n3n2)CN(C2CCCC2)CC4)CC1 19500118 IRRXVGXYRMZFEH-UHFFFAOYSA-N 439.604 3.878 0 40 IHAB COc1ccc(CNC(=O)C2(C[C@H]3CC(c4cccc(F)c4)=NO3)CCOCC2)cc1 19555709 NBKHXTVQHLSGTH-OAQYLSRUSA-N 426.488 3.831 0 40 IHAB COc1cc(NC(=S)NC(=O)c2cccc(C)c2)ccc1N1C(=O)c2ccccc2C1=O 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C[C@@H](Sc1nnc2ccc(C(F)(F)F)cn12)C(=O)N1CCN(Cc2ccccc2)CC1 24142287 WRKVLZQRLXMWRW-OAHLLOKOSA-N 449.502 3.573 0 40 IHAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)CCc1ncc(-c2ccccc2Cl)o1 25064241 OXQCKSFNSZDWOW-AWEZNQCLSA-N 447.944 3.795 0 40 IHAB Cc1c(C(=O)Nc2cc(C(C)(C)C)nn2[C@@H]2CCS(=O)(=O)C2)oc2c(F)cccc12 25161089 QDOJYEKDXPCNLM-CYBMUJFWSA-N 433.505 3.986 0 40 IHAB CCS(=O)(=O)c1ccc(O)c(NC(=O)Cn2c(C)cc(-c3csc(C)n3)c2C)c1 29349916 DILWHJQHCXQGJZ-UHFFFAOYSA-N 433.555 3.675 0 40 IHAB CCOc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(C)cc3)N3CCOCC3)no2)cc1 32623328 XWWVJDPJPXZCNH-HSZRJFAPSA-N 435.524 3.852 0 40 IHAB COc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)cc1 32820935 GMLPPBKBHMIDMC-RDTXWAMCSA-N 442.537 3.941 0 40 IHAB COc1ccc([C@H](CC(C)C)NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 38772440 FJMNHSKBFPKVMU-QFIPXVFZSA-N 432.586 3.982 0 40 IHAB CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(C)cc2Br)c1=O 40478555 HDZIMUTWDJTVOB-UHFFFAOYSA-N 444.329 3.673 0 40 IHAB O=C(NCCN1CCN(C(=O)C2c3ccccc3Oc3ccccc32)CC1)c1ccsc1 42383018 RYYYDYIATQPXRF-UHFFFAOYSA-N 447.560 3.560 0 40 IHAB O=C(NCCCSc1ccccc1)Nc1cccc(Cn2nc3ccccn3c2=O)c1 48231237 AFGLCKUYWVTNSJ-UHFFFAOYSA-N 433.537 3.848 0 40 IHAB CCc1ccc(-c2noc(Cn3c(=O)n(-c4ccccc4)c(=O)c4sccc43)n2)cc1 48987542 WPCSCNKEUJXKHF-UHFFFAOYSA-N 430.489 3.875 0 40 IHAB Cc1ccc(C)c(N2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3)CC2)c1 57416597 DEVMFMUERVNTDB-KRWDZBQOSA-N 429.923 3.798 0 40 IHAB COc1ccccc1-n1c(SCC(=O)NCc2ccccc2)nc2ccsc2c1=O 57487586 TWSZSEBMUCTUJS-UHFFFAOYSA-N 437.546 3.864 0 40 IHAB O=C1C[C@H](/C(O)=N/S(=O)(=O)C2=Cc3ccccc3CC2)CN1c1ccc2c(c1)CCC2 58041008 MZFGDDMNRPLQSG-FQEVSTJZSA-N 436.533 3.802 0 40 IHAB Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@H](C)COCC(F)(F)F)c2)cc1 58291618 HLRHWYGDBMBWSH-OAHLLOKOSA-N 444.475 3.801 0 40 IHAB O=C(COc1cc(Cl)ccc1Cl)NC[C@@H](O)COc1ccc(C(F)(F)F)cc1 60035182 NRKXUGNEDNPOEC-CYBMUJFWSA-N 438.229 3.947 0 40 IHAB COc1ccc([C@H]2Nc3ccccc3C(=O)N2CCCC(=O)NCc2cccnc2)cc1 61721133 BPFGPDDISASNAL-DEOSSOPVSA-N 430.508 3.753 0 40 IHAB CCc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccc(Br)cc2)c1C 67322589 QEHKUAQAJODYOB-UHFFFAOYSA-N 442.317 3.802 0 40 IHAB COc1ccc(CCC(=O)N2CCN(C)C(=O)[C@@H]2Cc2ccc(-c3ccncc3)cc2)cc1 72351838 OYXREJWCFCDLDB-VWLOTQADSA-N 443.547 3.602 0 40 IHAB CCOC(=O)c1csc(NC(=O)c2cn(-c3ccc(OC)cc3)c(=O)c3ccccc23)n1 72401321 HGNPXHPEXXNLKY-UHFFFAOYSA-N 449.488 3.885 0 40 IHAB CNC(=O)c1cccc(-c2noc(C3CN(C(=O)Nc4cccc(C(F)(F)F)c4)C3)n2)c1 77191214 KVQCIFFAFRJWMD-UHFFFAOYSA-N 445.401 3.746 0 40 IHAB CC(C)[C@@H](O)C1(CNC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)CC1 95463275 OZLLYWAZUMVJOK-MAUKXSAKSA-N 427.372 3.759 0 40 IHAB COc1ccc(CN2C[C@]3(CO[C@H](C(=O)N(C)Cc4ccccn4)C3)c3ccccc32)cc1 96144533 TTZUQLBEECLONC-AHKZPQOWSA-N 443.547 3.796 0 40 IHAB CSc1nc(C)c(CC(=O)NCCN2C(=O)S/C(=C/c3ccc(C)cc3)C2=O)s1 96991352 KYWKYMKZPUQHNC-MHWRWJLKSA-N 447.607 3.877 0 40 IHAB CCn1c(S)nc2cc(C(=O)NCc3cc(F)ccc3Br)ccc2c1=O 103469648 SELKOOSIRSLTDN-UHFFFAOYSA-N 436.306 3.537 0 40 IHAB Cc1cc(C)n(-c2ccc(=O)n([C@H](C)C(=O)Nc3ccccc3-c3csc(C)n3)n2)n1 208010207 VWYANNVKYWORFF-OAHLLOKOSA-N 434.525 3.677 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCc1ccc(F)cc1)c1cc(Cl)ccc1Cl 216350783 WGLLDPLMZJQJFC-UHFFFAOYSA-N 433.332 3.995 0 40 IHAB Cc1cccc(N([C@@H](C)C(=O)NCCCc2cccc(OC(C)C)c2)S(C)(=O)=O)c1 220144312 KCNDVHHSATZIMG-IBGZPJMESA-N 432.586 3.686 0 40 IHAB CCOc1ccccc1CCCNC(=O)[C@@H](CC)N(c1cccc(C)c1)S(C)(=O)=O 220517573 RPDOPBVEFOIMKU-OAQYLSRUSA-N 432.586 3.687 0 40 IHAB COC(=O)c1cn(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)c2ccccc12 222603231 ABXHKGVSZMAQMU-UHFFFAOYSA-N 446.912 3.554 0 40 IHAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(OC)c(C)c1 222654494 XMKXUWDLQJEBAV-LEWJYISDSA-N 448.585 3.824 0 40 IHAB CC[C@H](NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1)c1ccc2c(c1)CCCC2 223078274 YQIPOBWUHKQSAC-QFIPXVFZSA-N 429.586 3.689 0 40 IHAB C[C@@H](Sc1ccccc1)C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1 224355981 DVUQYVPPJVMYGI-GOSISDBHSA-N 448.610 3.537 0 40 IHAB Cc1cc(S(=O)(=O)NCCOc2ccc(C(C)(C)C)cc2)ccc1N1CCCC1=O 224376193 YBHRBDCQJDKICL-UHFFFAOYSA-N 430.570 3.777 0 40 IHAB Cc1ccc(OCCNC(=O)CCCN(c2cccc(C)c2C)S(C)(=O)=O)cc1C 224744000 LZWCDJSGSDGYMB-UHFFFAOYSA-N 432.586 3.662 0 40 IHAB CCOC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(SC)cc1 224975748 KUVKJCKMWTZACF-UHFFFAOYSA-N 444.372 3.929 0 40 IHAB CCC1(CC)C[C@H](NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)c2ccccc2O1 225671561 JTOGWWLIKIFOBD-INIZCTEOSA-N 432.567 3.961 0 40 IHAB O=C(c1nc(-c2ccccc2)cs1)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1 225821672 YBQOMARRZUJIKQ-UHFFFAOYSA-N 446.532 3.884 0 40 IHAB Cc1onc(C(C)C)c1C(=O)N[C@@H]1CC(C)(C)Cc2nc(N3C[C@H](C)O[C@@H](C)C3)ncc21 251982828 GGPXSXALZIEERE-RLFYNMQTSA-N 441.576 3.954 0 40 IHAB O=C(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc(CN2CCCCC2)cc1 257332173 XWBNGZQQUARYDL-UHFFFAOYSA-N 426.460 3.810 0 40 IHAB CC1CCC(C(=O)N[C@H](CCCCCCCCCN)C(=O)N[C@H](C)CCC(=O)O)CC1 1505840718 WFZVLGITDCKVQE-GOLJUSPKSA-N 439.641 3.747 0 40 IHAB CO[C@H]1CN(Cc2cccc3ccccc23)CCCCc2ccccc2OC[C@@H](O)[C@H]1O 2037971371 YVSGXGZHNQXROO-FXVJXKIMSA-N 435.564 3.794 0 40 IHAB Cc1ccc(Cc2c(F)cccc2Cl)c(CC(=O)O[C@@H](C)C(=O)O[C@@H](C)C(=O)O)c1 2060993163 ZNRAPIZSWAGHEY-KBPBESRZSA-N 436.863 3.869 0 40 IHAB Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(=O)NCCCCCC(=O)O)ccc12 2146062 PDWXMSJURZFIPC-UHFFFAOYSA-N 437.492 3.832 0 40 IHAB biogenic Cc1cc(=O)oc2cc(OCC(=O)Nc3cccc(I)c3)ccc12 2150596 CAVCHGQBOQJOIY-UHFFFAOYSA-N 435.217 3.724 0 40 IHAB biogenic CCCN(CC(=O)Nc1ccc(F)c(F)c1F)S(=O)(=O)c1ccc(Cl)s1 3425832 NPBQLBMSIGNINK-UHFFFAOYSA-N 426.869 3.858 0 40 IHAB COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)NC2CCCCC2)c(OC)c1 5151506 BCONHDFCOSPNHQ-TUSQITKMSA-N 430.589 3.821 0 40 IHAB COc1ccc(OC)c([C@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)NC2CCCCC2)c1 5217519 KPUTUTOASGKPLY-TUSQITKMSA-N 430.589 3.821 0 40 IHAB Cc1cc(SCC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)nc2ccccc12 9244689 KZUDGKFLULCXLX-SFHVURJKSA-N 426.563 3.856 0 40 IHAB CC(C)=C(NC(=O)c1ccc(Br)cc1)C(=O)NCCc1nc2ccccc2[nH]1 9282281 MUHNUTDEVWDDND-UHFFFAOYSA-N 441.329 3.708 0 40 IHAB NC(=O)c1nc(-c2cccc(Cl)c2)nc2c1[nH]c(=O)n2-c1ccc(Cl)c(Cl)c1 9346585 ZGFZRIQUROYXBV-UHFFFAOYSA-N 434.670 3.835 0 40 IHAB Cc1ccccc1N(C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)c1nc2ccccc2s1 9349111 LBOIVPDMVGLXAL-QHCPKHFHSA-N 434.521 3.990 0 40 IHAB Cc1cc(C)c2sc(N(CC(C)C)C(=O)CN3C(=O)N[C@@](C)(C4CC4)C3=O)nc2c1 9349193 JZYUOENTFQLKGD-QFIPXVFZSA-N 428.558 3.623 0 40 IHAB CCN1C(=O)[C@]2(c3ccccc31)c1c(oc3ccccc3c1=O)C(=O)N2CCCOC(C)C 9431968 GSVHVXPHHVVTAI-SANMLTNESA-N 446.503 3.674 0 40 IHAB O=C(COc1ccc(Cl)cc1)Nc1nnc(SCC(=O)NC2CCCCC2)s1 9600139 FZVULMPHMLVBCS-UHFFFAOYSA-N 440.978 3.750 0 40 IHAB COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CCc4ccccc43)cc2c1 9636293 GPOHUDXLCIFUBV-QHCPKHFHSA-N 442.523 3.790 0 40 IHAB CCS(=O)(=O)c1ccc(-c2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc2)nn1 9650601 VWPRXRGOLFICMG-UHFFFAOYSA-N 445.566 3.663 0 40 IHAB Cc1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1S(=O)(=O)N1CCOCC1 9667766 JEJCDCFUTJVBJP-UHFFFAOYSA-N 436.533 3.935 0 40 IHAB COc1ccccc1-c1nnc(SCC(=O)NCc2ccc(C)cc2)n1-n1cccc1 9738431 KJBNOQWBPVVZRN-UHFFFAOYSA-N 433.537 3.784 0 40 IHAB COc1ccc(NC(=O)c2ccc(NC(=O)CSc3nnc(C)n3C3CC3)cc2)cc1 9819646 JAXZAWZHNJSTFB-UHFFFAOYSA-N 437.525 3.913 0 40 IHAB O=C(CCCSc1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2cccs2)CC1 10027993 GHLZNXXNIAEDSN-UHFFFAOYSA-N 445.031 3.807 0 40 IHAB O=C(O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)c2ccccc12 11635069 VMEKKOVMEVEEFS-KRWDZBQOSA-N 434.311 3.577 0 40 IHAB COc1cccc(N(C(=O)c2csnn2)[C@@H](C(=O)NC(C)(C)C)c2ccc(F)cc2)c1 12637717 QXSHVXIVICZJAP-LJQANCHMSA-N 442.516 3.989 0 40 IHAB O=C(CNC(=O)c1ccccc1F)NCc1ccc(-c2ccc(Br)cc2)o1 12746161 VYQNGJGCNROPRN-UHFFFAOYSA-N 431.261 3.894 0 40 IHAB CC(=O)Nc1cccc(NC(=O)[C@@H](NC(=O)c2ccc(Br)cc2)C(C)C)c1 12769362 YSNHMFVXVWSMCV-SFHVURJKSA-N 432.318 3.801 0 40 IHAB COc1cccc(-c2nc(C(=O)N3CCN(Cc4ccccc4F)CC3)cs2)c1OC 12822975 UUGOBOZNHLQAJI-UHFFFAOYSA-N 441.528 3.924 0 40 IHAB COc1ccc(CCn2c(C)cc(-c3csc(CC(=O)N4CCOCC4)n3)c2C)cc1 12873011 BGCDTOSHNMNQDL-UHFFFAOYSA-N 439.581 3.881 0 40 IHAB CC[C@H](c1nnc(SCc2nnnn2-c2ccccc2)n1Cc1ccccc1)N(C)C 12880073 NXTVVUXXVYJXLW-LJQANCHMSA-N 434.573 3.607 0 40 IHAB COc1ccc2c(CCNC(=O)COc3cc(C)cc4oc(=O)c(C)c(C)c34)c[nH]c2c1 12895614 LVPDJJAUHWJOOS-UHFFFAOYSA-N 434.492 3.946 0 40 IHAB biogenic O=C1Nc2ccccc2O[C@@H]1CC(=O)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 13109296 AVIZYOKJBRKSQC-GOSISDBHSA-N 438.871 3.671 0 40 IHAB CCOc1cc(Br)c(CN2C(=O)c3ccccc3S2(=O)=O)cc1OCC 13113239 HWRZLCYJMGQJGW-UHFFFAOYSA-N 440.315 3.591 0 40 IHAB COc1cc(/C=C/C(=O)OCC(=O)N[C@H](C)c2ccc(Cl)cc2)cc(OC)c1OC 13121467 GFTYFAWNLPODFR-AZWQULSGSA-N 433.888 3.800 0 40 IHAB Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)/C=C/c2ccc3c(c2)OCO3)c1C 13149866 KEPQJPHTCAUJMV-BQYDLMEBSA-N 436.508 3.692 0 40 IHAB COc1cccc(-c2noc(CN3C(=O)N[C@@](C)(c4ccc5ccccc5c4)C3=O)n2)c1 13164107 WSGRDOYJHRRFIX-DEOSSOPVSA-N 428.448 3.866 0 40 IHAB Cc1cc(OCC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)cc(C)c1Cl 13513766 CZNQIGOLVGLLRL-OAHLLOKOSA-N 427.975 3.613 0 40 IHAB CN(Cc1ccccc1)C(=O)c1ccccc1NC(=O)CS(=O)(=O)Cc1ccccc1 13838930 KBXHATWISLHZPU-UHFFFAOYSA-N 436.533 3.512 0 40 IHAB COc1ccc(Br)cc1CN(C)Cc1nc(N)nc(Nc2ccc(F)cc2)n1 14924299 RGCCLOGMVFYLOR-UHFFFAOYSA-N 447.312 3.740 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)Cc2cccc(C(F)(F)F)c2)cc1 15097356 ZBNGSSWUGOEVEQ-UHFFFAOYSA-N 428.476 3.595 0 40 IHAB COc1ccc(/C=C/c2nc(SCC(=O)Nc3ccc(C(C)=O)cc3)n[nH]2)cc1OC 15321570 FJUVGLOTOUQEHV-VZUCSPMQSA-N 438.509 3.926 0 40 IHAB Cc1cc(NC(=O)[C@@H](C)SCC(=O)Nc2ccnn2Cc2ccc(Cl)cc2)no1 15641512 PTLAHKCKCRFGLN-CYBMUJFWSA-N 433.921 3.580 0 40 IHAB NC(=O)c1c(NC(=O)c2cc(I)ccc2Cl)sc2c1CCC2 16385307 BPORVVGXENOMFL-UHFFFAOYSA-N 446.697 3.846 0 40 IHAB COc1cccc(CN(C(=O)c2oc3ccc(F)cc3c2C)[C@H]2CCS(=O)(=O)C2)c1 16752795 RGHLPBVHCKRLPP-KRWDZBQOSA-N 431.485 3.718 0 40 IHAB CCc1nc2c(sc3cccc(F)c32)c(=O)n1CC(=O)Nc1cc(OC)cc(OC)c1 16842281 QECXUVJSPPRBDI-UHFFFAOYSA-N 441.484 3.969 0 40 IHAB CCCN1CCN(C(=O)c2nccn2C)C[C@@H](Cc2cccc(-c3ccccc3)c2)C1=O 19503023 UHYBDMAWMFBBLF-HSZRJFAPSA-N 430.552 3.640 0 40 IHAB COc1cccc([C@@H]2CN(C(=O)CN3CCC4(CCCCC4)C3)C[C@H]2c2csnn2)c1 19566030 UWSOKDFSHQEBOG-LEWJYISDSA-N 440.613 3.913 0 40 IHAB COc1ccc(NC(=O)[C@H]2C[C@H](C3CCN(Cc4ccccc4OC)CC3)N(C)C2)cc1 19587713 CGGRSJSDHFWMTR-XUZZJYLKSA-N 437.584 3.875 0 40 IHAB Cc1noc(CCC(=O)N2CCC[C@H]2c2nc(N(C)C)ncc2-c2cccc(Cl)c2)n1 19689899 MGSOSRSVJXRYCV-SFHVURJKSA-N 440.935 3.851 0 40 IHAB CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@@H]2CCCN(C(=O)CC3CCCCC3)C2)n1 19694517 VSFQHGPDFWLVIC-OAQYLSRUSA-N 449.599 3.985 0 40 IHAB CNc1nc([C@@H]2CCCNC2)nc2c1CCN(C(=O)C1(Oc3ccccc3)CCCCC1)C2 19708539 RZECVEHSIDKPGE-LJQANCHMSA-N 449.599 3.652 0 40 IHAB COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)C[C@@H]1C(=O)Nc1ccc(C(C)=O)cc1 19819098 HHVBBIFQHZYEHH-IBGZPJMESA-N 440.883 3.981 0 40 IHAB O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1)Nc1ccc(F)c(Cl)c1 19935319 GLDFOJBINWGHHR-UHFFFAOYSA-N 447.315 3.935 0 40 IHAB COC(=O)c1ccccc1NC(=O)Cn1c(C)nc2sc(-c3ccccc3)cc2c1=O 19983866 CPBPVALJXJYWHT-UHFFFAOYSA-N 433.489 3.859 0 40 IHAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1 20016337 ATQSTZDMMUCBGR-LLVKDONJSA-N 434.411 3.549 0 40 IHAB Cc1ccc(CN(c2ccc(OCC(=O)NC3CCCCC3)cc2)S(C)(=O)=O)cc1 22231500 UJQHBCDCWUUQAF-UHFFFAOYSA-N 430.570 3.789 0 40 IHAB CCn1cc(C(=O)NCc2ccc(OC)c(OC)c2)c(=O)c2cc(C(F)(F)F)ccc21 22237052 JRMYQMODNIOBBY-UHFFFAOYSA-N 434.414 3.987 0 40 IHAB CCOc1ccc2ncc(S(=O)(=O)c3ccc(C)c(C)c3)c(N3CCOCC3)c2c1 22573861 VQFVAQCUSSJJDO-UHFFFAOYSA-N 426.538 3.920 0 40 IHAB O=c1[nH]c(CN2CCN(CCOc3ccccc3)CC2)nc2scc(-c3ccccc3)c12 23248828 KCXCDJPEOINMMA-UHFFFAOYSA-N 446.576 3.848 0 40 IHAB Cn1cnnc1Sc1ccccc1NS(=O)(=O)c1ccccc1Br 24759999 XFZNLAMWFOPGPB-UHFFFAOYSA-N 425.333 3.530 0 40 IHAB O=C1c2ccccc2S(=O)(=O)N1Cc1nc(-c2cccc(Br)c2)cs1 24989467 ZSKOJFOUOSLSEL-UHFFFAOYSA-N 435.324 3.917 0 40 IHAB Cc1cc(CSc2ncccc2C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)no1 26394798 QANGBGPINFJGMJ-UHFFFAOYSA-N 433.493 3.887 0 40 IHAB CN(C)C(=O)COc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1 26549016 JVIMYOQUWJJUKO-UHFFFAOYSA-N 436.839 3.627 0 40 IHAB CS(=O)(=O)Nc1cccc(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c1 28250262 PESHOJHMKJKQON-UHFFFAOYSA-N 428.841 3.531 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2)cc1 28942916 NUUBEVSYANBSNJ-UHFFFAOYSA-N 438.505 3.600 0 40 IHAB CCN(C(=O)[C@H](C)Sc1ncc(-c2ccc(Cl)cc2)o1)[C@@H]1CCS(=O)(=O)C1 32872100 LJZWADBCRRKDND-SWLSCSKDSA-N 428.963 3.511 0 40 IHAB C[C@H](Sc1nnc(-c2ccco2)n1CCC(N)=O)C(=O)C12CC3CC(CC(C3)C1)C2 32902102 ROVLQJCFRWLPJA-QRYOHXEKSA-N 428.558 3.680 0 40 IHAB CCc1cc2c(N3CCN([C@H](C(=O)OC)c4ccc(Cl)cc4)CC3)ncnc2s1 32916263 VIKSYOPNHCBJKS-SFHVURJKSA-N 430.961 3.943 0 40 IHAB CCOc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(SC)c3)[nH]n2)cc1 32950971 ILUVHKAJHRSLEJ-UHFFFAOYSA-N 432.527 3.583 0 40 IHAB O=C(COc1ccccc1/C=C1/C(=O)N(Cc2ccco2)C(=O)N=C1O)Nc1ccccc1 33557223 DVMRMUOKDZJDRU-CPNJWEJPSA-N 445.431 3.799 0 40 IHAB CC(=O)[C@@H]1[C@H](C(=O)c2ccco2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(F)ccc3N12 33915836 NLLYAYVSSXMHDM-ICLZECGLSA-N 442.446 3.981 0 40 IHAB COc1ccccc1[C@@H](C(=O)NC(C)(C)C)N(C(=O)c1csnn1)c1ccccc1F 35292284 WWAMAPROCATOIA-IBGZPJMESA-N 442.516 3.989 0 40 IHAB O=C(CN1CCN(C(=O)c2ccc(-c3ccccc3Cl)o2)CC1)N1CCCCCC1 35349086 CLSLNFFNTFJZFU-UHFFFAOYSA-N 429.948 3.760 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(-c4ccc5c(c4)OCO5)o3)C2)c(C)c1 35596945 FSONELVFOLIXPH-KRWDZBQOSA-N 441.509 3.650 0 40 IHAB COc1ccc(-c2nc(CC(=O)NC[C@H]3CCCN4CCCC[C@H]34)cs2)cc1OC 36580021 CIGXKYOEWKEYLD-IEBWSBKVSA-N 429.586 3.751 0 40 IHAB biogenic CC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)COc2cccc(Br)c2)C1 48332774 HLZUXECEJPEKPP-CQSZACIVSA-N 427.339 3.591 0 40 IHAB Cc1ccc(NC(=O)c2ccc(-n3cnnc3)cc2)cc1NS(=O)(=O)c1ccccc1 58245637 IFSDLKIRSPHQEJ-UHFFFAOYSA-N 433.493 3.629 0 40 IHAB CCOc1ccc(CC(=O)OCC(=O)Nc2cccc(Br)c2)cc1OCC 72330935 ACITUFUCGMFNLY-UHFFFAOYSA-N 436.302 3.971 0 40 IHAB Cc1nc(C2=CCN(C[C@H](O)c3ccc4ccccc4c3)CC2)nc(N2CCOCC2)c1C 72339516 PYVWDAJBPIPGFO-VWLOTQADSA-N 444.579 3.906 0 40 IHAB C[C@H]1Cc2cc(C(=O)N3CCN(C)C(=O)[C@@H]3Cc3ccc(-c4cccnc4)cc3)ccc2O1 72351874 XEHBBIXOLLQPCX-UUOWRZLLSA-N 441.531 3.598 0 40 IHAB CC(=O)c1ccc(S(=O)(=O)N[C@H]2CCC[C@@H](OC(=O)Nc3ccc(F)cc3)C2)cc1 77200418 OSCNAOSLPLMLIT-RBUKOAKNSA-N 434.489 3.867 0 40 IHAB COc1ccc([C@H](CNS(=O)(=O)CC[C@H]2CCCO2)c2c[nH]c3ccccc23)cc1 79095550 TZWZGMIKTFWGJW-CTNGQTDRSA-N 428.554 3.797 0 40 IHAB CC[C@H](NS(=O)(=O)CCC(=O)OCc1ccccc1)c1ccccc1OC(F)F 89947926 ZOCSILISYFBDAZ-KRWDZBQOSA-N 427.469 3.792 0 40 IHAB CCOc1ccc2ccccc2c1C(=O)N1CC(S(=O)(=O)c2ccc(OC)cc2)C1 96378024 YBMIKUJDPYWCGL-UHFFFAOYSA-N 425.506 3.545 0 40 IHAB O=C(/C=C/c1ccccc1)Nc1c2c(nn1CC(=O)NCc1ccc(F)cc1)CSC2 97603982 XFZUCLOWTXZYPP-DHZHZOJOSA-N 436.512 3.737 0 40 IHAB CC[C@H]1C(=O)N(c2ccc(C)cc2)C(=O)[C@H]2C(=O)Oc3ccc(Br)cc3[C@@H]21 100144721 JYGFBQOMAKQUPL-JLSDUUJJSA-N 428.282 3.976 0 40 IHAB O=C(NC[C@@]12C=C[C@H](O1)C(Cl)(Cl)C(=O)C2(Cl)Cl)OCc1ccccc1 100351650 JOUKAXDNEIEFJP-SMDDNHRTSA-N 425.095 3.537 0 40 IHAB CC(C)C(=O)NC[C@H]1CC[C@H](c2cc(C(=O)N3CCN(C)CC3)c3ccccc3n2)CC1 100657997 LKTGECPVUDKVGK-BGYRXZFFSA-N 436.600 3.668 0 40 IHAB O=C(Nc1ccc(F)cc1)C(=O)[C@H](C(=O)c1ccccc1F)[C@H]1OC(=O)c2ccccc21 102954123 ZYJQFBBLXRBNSA-UGKGYDQZSA-N 435.382 3.883 0 40 IHAB CCOC(=O)c1cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)OC)C3=O)o2)ccc1Cl 205674312 WSONBINWLJWVEN-CXUHLZMHSA-N 449.868 3.986 0 40 IHAB CCOc1cccc(CNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)c1 216230706 CKBAQIARRQWLIG-UHFFFAOYSA-N 430.570 3.888 0 40 IHAB CC[C@@H](NC(=O)[C@H](C)N(c1cc(OC)ccc1OC)S(C)(=O)=O)c1ccc(C)cc1C 220223755 OSGYPHKMBWTTNP-FXAWDEMLSA-N 448.585 3.743 0 40 IHAB CCc1ccc(N([C@H](C)C(=O)Nc2ccccc2C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 220279643 KYMGSNGGSLXWCR-MRXNPFEDSA-N 445.585 3.571 0 40 IHAB C[C@@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)N(c1cccc(F)c1)S(C)(=O)=O 220485080 VJSAXELHNCDGNY-INIZCTEOSA-N 440.496 3.850 0 40 IHAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(OC)cc1 222545033 ABQCGFPUQWDCGL-WZONZLPQSA-N 426.557 3.968 0 40 IHAB O=C(C1CC1)N1CCc2cc(S(=O)(=O)NCCSc3ccc(Cl)cc3)ccc21 222777574 KYIVWHLJDKTAEE-UHFFFAOYSA-N 436.986 3.710 0 40 IHAB CN(c1ccccc1)S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1 223253675 KDOAPWDTBHRORS-UHFFFAOYSA-N 443.337 3.922 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCOc3ccc(F)cc3)cc2)cc1 223931279 CYMQNUCOXXGZQV-UHFFFAOYSA-N 428.485 3.744 0 40 IHAB CSc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccccc3C)no2)cc1NC(C)=O 223995817 PNDKRQRBULLQQN-UHFFFAOYSA-N 446.554 3.546 0 40 IHAB CC[C@@H](C(=O)NCCOc1cc(C)cc(C)c1)N(c1ccc(Cl)cc1)S(C)(=O)=O 224086945 RXTOZTPOLOVXPA-FQEVSTJZSA-N 438.977 3.697 0 40 IHAB C[C@@H](CNC(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1)c1ccccc1 224362494 IPNDGTJIIOGUGK-KRWDZBQOSA-N 434.989 3.802 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCCc3ccc(Cl)cc3)C2)cc1 225524555 BJSXNIYNJBUHTC-LJQANCHMSA-N 434.989 3.798 0 40 IHAB C[C@@H]1CC[C@@H]2N(C[C@@H]3[C@H](CC[C@@H]4[C@@H]5C[C@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@@H]5C[C@@H]34)[C@]2(C)O)C1 247643471 IUKLSMSEHKDIIP-NLSMEHSCSA-N 431.661 3.678 0 40 IHAB COc1ccccc1-c1cccc(C[C@@]2(C(=O)NCCCN3CCCC3=O)CCCO2)c1 257222492 DTMHWVXDXAWZQY-AREMUKBSSA-N 436.552 3.583 0 40 IHAB CN(C)C(=O)C1(Cc2ccccc2-c2ccncc2)CCN(C(=O)Cc2cccnc2)CC1 257228186 FSSNVVOHDBOYFW-UHFFFAOYSA-N 442.563 3.626 0 40 IHAB CC1(C(=O)N2CCC[C@H](Cc3cccnc3)C2)CCN(C(=O)Cc2ccc(F)cc2)CC1 257263153 LOQHXURZKQLYNF-JOCHJYFZSA-N 437.559 3.873 0 40 IHAB CC(=O)NCCCCCC(=O)N1CC[C@H]2O[C@H]3c4cccc(O)c4OC(C)(C)[C@@H]3C[C@@H]2C1 257267514 MHPWHUSFHDZDMV-LHWDRQQYSA-N 444.572 3.554 0 40 IHAB COc1ccc(NC(=O)CN2CCO[C@H](c3cccc(Nc4cccc(C)n4)n3)C2)cc1 257293214 QOOMLNIVXRZJMG-NRFANRHFSA-N 433.512 3.549 0 40 IHAB COc1ccc(N([C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)S(C)(=O)=O)cc1 260826498 BUPOCIQIJSHTKO-IAGOWNOFSA-N 430.570 3.606 0 40 IHAB Cc1nc2c(n1CC1CC1)CN(Cc1cccs1)CC21CCN(C(=O)N(C)C)CC1 306138572 SAYIEWOBDKPULP-UHFFFAOYSA-N 427.618 3.694 0 40 IHAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccc(Cl)cc2Cl)cc1C 408603325 GILVYUVXGMZFCO-CYBMUJFWSA-N 445.368 3.684 0 40 IHAB CCCCOC(=O)c1ccc(N2C[C@@H](C(=O)O[C@@H](C)C(=O)c3ccccc3)CC2=O)cc1 408637395 JURIAPLSGKXWSX-PXNSSMCTSA-N 437.492 3.811 0 40 IHAB CC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccccc2C(F)(F)F)cc1 408663190 LWYZKZPLMPCRRV-UHFFFAOYSA-N 436.386 3.809 0 40 IHAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccccc2)C1 408701229 UQYLSMBCGLOVMJ-FQEVSTJZSA-N 430.570 3.536 0 40 IHAB CCOc1cc(/C=C2/NC(=O)NC2=O)c(Br)cc1OCc1ccc(C)cc1 409053375 CDSQQSSKATXEHJ-LZYBPNLTSA-N 431.286 3.916 0 40 IHAB CCn1c(CNC(=O)c2ccccc2C)nnc1SCC(=O)Nc1cc(C)ccc1C 409058451 NFSRXTQOKFEBRQ-UHFFFAOYSA-N 437.569 3.884 0 40 IHAB CS(=O)(=O)Nc1ccc(CNC(=O)NCc2ccc(Oc3ccccc3)cc2)cc1 509896142 FSKUXXKHEMUNLJ-UHFFFAOYSA-N 425.510 3.850 0 40 IHAB CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 606827094 SMPVLKQWJGAJAR-MRXNPFEDSA-N 442.331 3.816 0 40 IHAB O=C1NCC2(CCCCCCOc3ccccc31)CCN(C(=O)CCn1ccnc1)CC2 643557966 CBLYEPSGJXUANX-UHFFFAOYSA-N 438.572 3.655 0 40 IHAB CC(=O)N1CCN(C(=O)c2ccccc2Cn2cccn2)[C@H](c2ccc(OC(C)C)cc2)C1 2037814197 WAXXCXNQWXXTBC-VWLOTQADSA-N 446.551 3.764 0 40 IHAB O=C(CSC(=S)N1CCOCC1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 2371796 CIGAPUCZFRTXJE-UHFFFAOYSA-N 434.970 3.860 0 40 IHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(OCC(=O)N2CCc3ccccc32)cc1 2629974 YKVJUTOCIRMXQX-UHFFFAOYSA-N 436.533 3.870 0 40 IHAB CCN(c1ccc(NC(=O)COC(=O)c2cc(OC)c(OC)cc2OC)cc1)C(C)C 3245505 WBXAHPFHXHIJLY-UHFFFAOYSA-N 430.501 3.743 0 40 IHAB C[C@H]1Cc2ccccc2N1C(=O)CSc1nnc(Cc2cccc3ccccc23)n1N 3263400 LLWLHOYPXHMDET-INIZCTEOSA-N 429.549 3.806 0 40 IHAB Cc1ccc2c(=O)cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)oc2c1C 8612373 KZKNQYUJGNVFNK-UHFFFAOYSA-N 440.521 3.837 0 40 IHAB C[C@@H](C(=O)N1CCN(Cc2ccccc2)CC1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 8726295 JXXCWRCDPROSNO-XUZZJYLKSA-N 449.595 3.718 0 40 IHAB Cc1cc(C)cc(N2CCCn3c2nc2c3c(=O)n(CCCc3ccccc3)c(=O)n2C)c1 9159001 FQZPNOINDLLOLX-UHFFFAOYSA-N 443.551 3.688 0 40 IHAB COc1cc2c(cc1OC)CN(C(=O)NCCC(=O)Nc1cccc3ccccc13)CC2 9418975 BQLDCHZZEUYFOS-UHFFFAOYSA-N 433.508 3.954 0 40 IHAB CN1CCN(c2ccccc2NS(=O)(=O)c2ccc(Br)cc2Cl)CC1 9468135 HSGGNPHDPFXPJA-UHFFFAOYSA-N 444.782 3.655 0 40 IHAB COc1ccc(-c2csc(NC(=O)CCS(=O)(=O)c3ccccc3)n2)c(OC)c1 9599562 WQFZICVJVZQBRF-UHFFFAOYSA-N 432.523 3.630 0 40 IHAB Cc1c(C(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)oc2ccc(F)cc12 9607960 DZDYIXYFUOPSGW-UHFFFAOYSA-N 434.464 3.556 0 40 IHAB O=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)NC(=O)NC1CCCCC1 9704106 JDVUPDWMSSVNCI-UHFFFAOYSA-N 442.899 3.886 0 40 IHAB Cc1cc(NS(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)ccc1Br 9708653 KAVXNZXPMWYSLW-UHFFFAOYSA-N 435.343 3.784 0 40 IHAB C[C@@H](Sc1nnc(Nc2ccc(OC(F)(F)F)cc2)s1)C(=O)N1CCOCC1 9960605 GZZRTYVIRLUJRC-SNVBAGLBSA-N 434.465 3.520 0 40 IHAB COc1ccc(C(=O)N[C@H](C)c2ccccn2)cc1S(=O)(=O)Nc1ccc(C)cc1 10556768 CDPMEWPVRYBQBE-MRXNPFEDSA-N 425.510 3.690 0 40 IHAB O=C(/C=C/c1ccc(Cl)s1)OCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 11673230 MPTNDTMUMCFKJL-VQHVLOKHSA-N 432.929 3.835 0 40 IHAB COc1cccc(NC(=O)CSc2ccccc2C(=O)OCC(=O)N[C@@H](C)C(C)C)c1 11677817 XUKWDJWIRGROTN-INIZCTEOSA-N 444.553 3.744 0 40 IHAB CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@H](C)O[C@H](C)C2)c1 12579600 OPCDBQOPTYQRAK-IYBDPMFKSA-N 436.961 3.805 0 40 IHAB CN(C)c1ccc(NC(=O)CN2[C@H]3CCC[C@@H]2CC(NC(=O)C2CCCCC2)C3)cc1 12643846 CFUKWIHZYRSGOW-BRTIRZTQSA-N 426.605 3.773 0 40 IHAB CCCCN1C(=O)C[C@H](C(=O)N(C)Cc2ccc3c(c2)OCO3)[C@H]1c1ccc(OC)cc1 12686738 HUHHLGYMPHGKQU-GBXCKJPGSA-N 438.524 3.772 0 40 IHAB Cc1ccc(NS(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)c(F)c1 12734587 DCGCIDDFKCQGIF-UHFFFAOYSA-N 428.272 3.788 0 40 IHAB O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CC(=O)N1CCC[C@@H]2CCCC[C@@H]21 12875552 DDOKQKFZPOOBAH-UGKGYDQZSA-N 431.536 3.663 0 40 IHAB O=S(=O)(NCc1ccccc1CN1CCOCC1)c1cc(C(F)(F)F)ccc1Cl 12879566 AAPZAVILYRZWBX-UHFFFAOYSA-N 448.894 3.670 0 40 IHAB Cc1ccc(-n2nc(C)c(NC(=O)COC(=O)c3cnn(Cc4ccccc4)c3)c2C)cc1 12889005 ITJZGZFJBJFAKE-UHFFFAOYSA-N 443.507 3.838 0 40 IHAB CCOC(=O)C[C@@H](c1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 12933863 LTHKRJXYIWPQMI-QFIPXVFZSA-N 449.544 3.972 0 40 IHAB Cc1nc(NCCNS(=O)(=O)c2ccc(Cl)cc2)c2c3c(sc2n1)CCCC3 13502671 OXWZCOHEJDDPSE-UHFFFAOYSA-N 436.990 3.922 0 40 IHAB CCC(C)(C)n1nnnc1[C@H](c1ccc(OC)cc1)N1CCN(c2ccccc2F)CC1 13504133 JIVJTQNEBQJLRP-QFIPXVFZSA-N 438.551 3.878 0 40 IHAB COc1cccc(N(CC(=O)N2c3ccccc3C[C@@H]2C)S(=O)(=O)c2ccccc2)c1 13670914 IVHXUQFDXWPBOW-SFHVURJKSA-N 436.533 3.868 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCc4sccc4[C@@H]3C)CC2)cc1C 14190283 LXUAHDPGUJZDJF-KRWDZBQOSA-N 432.611 3.912 0 40 IHAB CCCCc1c(-c2ccccc2)n(Cc2ccccc2)c2nc3c(c(=O)n(C)c(=O)n3C)n12 15081577 GTEDTVRAVMXQNV-UHFFFAOYSA-N 441.535 3.744 0 40 IHAB COc1cc(C[C@@H]2CC(CNCCc3c[nH]c4ccc(F)cc34)=NO2)cc2c1OCO2 15085767 YBUNAHZFBJECEU-GOSISDBHSA-N 425.460 3.564 0 40 IHAB Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc(-n4cnnn4)cc3)c2C)cc1F 15514401 CUPBHKKWGFTBQI-UHFFFAOYSA-N 433.443 3.557 0 40 IHAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccc(Cn2nnc3ccccc32)cc1 16499299 AJKTVHVMNRDNFU-GOSISDBHSA-N 437.507 3.894 0 40 IHAB C[C@H](OC(=O)CCn1c(=O)oc2cc(Cl)ccc21)C(=O)N1c2ccccc2C[C@H]1C 19161213 NAQKVVSBDSUHRQ-KGLIPLIRSA-N 428.872 3.548 0 40 IHAB O=S(=O)(c1ccccc1)N1CCO[C@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 19373677 GPHZIDGXOJVBSJ-INIZCTEOSA-N 439.415 3.518 0 40 IHAB COc1ccc(C2(C(=O)N[C@H](Cn3nc(-c4cccs4)ccc3=O)C(C)C)CC2)cc1 19451130 RUPRCAJGAKCLEE-HXUWFJFHSA-N 437.565 3.853 0 40 IHAB Cc1ncc(C(=O)N2CC[C@](Cc3cccc(-c4ccccc4)c3)(C(=O)N(C)C)C2)c(C)n1 19552367 GTZSAGOQPIFZDA-HHHXNRCGSA-N 442.563 3.924 0 40 IHAB COc1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(Cl)ccc2O3)cc1OC 19559908 CSWLEDBZLRTTHX-RBUKOAKNSA-N 433.932 3.741 0 40 IHAB COc1ccccc1-c1ccccc1C[C@@H]1CN(C(=O)Cc2cccc(F)c2)CCNC1=O 19571780 VHRUILQQBWPBHF-OAQYLSRUSA-N 446.522 3.861 0 40 IHAB COc1ccc(Cc2cc(C)nc(C3CCN(CC(=O)NCc4ccccn4)CC3)c2)cc1 19691664 VAUHNXGOKGNLCD-UHFFFAOYSA-N 444.579 3.880 0 40 IHAB Cc1nc([C@@H]2CCCN(C(=O)c3[nH]c4ccc(F)cc4c3C)C2)ncc1C(=O)N1CCCC1 19763002 WNKPOZUUCVUQLE-QGZVFWFLSA-N 449.530 3.970 0 40 IHAB CCCc1cc(C(=O)N2CC[C@H](c3ncc(C(=O)Nc4ccccc4OC)c(C)n3)C2)no1 19766129 AQPZPOBWBLFZGT-INIZCTEOSA-N 449.511 3.616 0 40 IHAB Cc1ccc(CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3)C2)cc1 19866659 MEKPSSJXHILLCA-OAQYLSRUSA-N 449.016 3.939 0 40 IHAB COc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2C)cc1 20061718 BJSOYAOSCLEUSM-UHFFFAOYSA-N 430.570 3.841 0 40 IHAB CS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2C(=O)N2CCCCC2)c1 20484998 RZYSLJHJHXZCPO-UHFFFAOYSA-N 435.933 3.590 0 40 IHAB Cc1cc(C)cc(-n2ccnc2SCC(=O)N2CCN(C(=O)c3cccs3)CC2)c1 22115073 YOHPGTHWUOGYMT-UHFFFAOYSA-N 440.594 3.627 0 40 IHAB Cc1cccc(N2CCN(C(=O)Cc3cc(O)nc(SCc4ccccc4)n3)CC2)c1 23138046 DCQNIAYWYDDEHY-UHFFFAOYSA-N 434.565 3.674 0 40 IHAB O=C1C[C@H](C(=O)N(Cc2c(F)cccc2Cl)C2CC2)CN1c1ccc2c(c1)OCO2 24749740 LFYMXTOVMCXIIB-ZDUSSCGKSA-N 430.863 3.752 0 40 IHAB Cc1ccc(OCCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N(C)C)cc1 26044701 KFXUUAXDXNBKPL-UHFFFAOYSA-N 445.585 3.643 0 40 IHAB COC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)c1C 29155020 VPDZNBLPBBTHKJ-UHFFFAOYSA-N 442.468 3.974 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CCCOc1ccc(C)cc1 30753893 CDNAUOWZDPQXPS-UHFFFAOYSA-N 432.542 3.586 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)Nc3nc(-c4ccc(C)cc4)nn32)cc1 31816625 ZPMYLTGHPXBXFA-IBGZPJMESA-N 447.495 3.732 0 40 IHAB CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 32772824 WVEXKPRXFSSYRA-AUSJPIAWSA-N 425.485 3.686 0 40 IHAB Cc1sc2ncn(CCC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCO4)c(=O)c2c1C 32898758 LBBXTQNCFGNZPR-QGZVFWFLSA-N 439.537 3.600 0 40 IHAB O=C(COc1coc(CN2CCSCC2)cc1=O)Nc1ccc(Cl)cc1Cl 44903807 ZOKHWVGGVBILLF-UHFFFAOYSA-N 429.325 3.513 0 40 IHAB O=C(NCc1cccnc1)[C@@H]1CCCN(c2nc3c(-c4ccccc4)csc3c(=O)[nH]2)C1 49421209 ZBYDWBXQADRCMG-GOSISDBHSA-N 445.548 3.579 0 40 IHAB COc1cc(OC)cc(-c2noc([C@@H](CCSC)N3C(=O)c4ccccc4C3=O)n2)c1 57354842 QIXKDSAKOYUGGJ-GOSISDBHSA-N 439.493 3.844 0 40 IHAB O=C(Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2sccc21)Nc1ccc2c(c1)CCC2 57426551 WZPJMNIJIWTCGI-UHFFFAOYSA-N 449.507 3.540 0 40 IHAB CN1CCN(C(=O)c2ccc(CNC(=O)c3c[nH]cc3-c3ccc(Cl)s3)cc2)CC1 60581858 UXCPZARXCHRCML-UHFFFAOYSA-N 442.972 3.714 0 40 IHAB CC(=O)Nc1c(C)cccc1-c1nnc(SCC(=O)Nc2ccccc2Cl)nc1O 64774846 ZARAPYNTFCJQEN-UHFFFAOYSA-N 443.916 3.895 0 40 IHAB COc1cccc(NC(=O)Cn2nc(-c3ccc(C)s3)c(-c3cc(C)no3)cc2=O)c1 72337642 MTTCSDDRGJUDFA-UHFFFAOYSA-N 436.493 3.891 0 40 IHAB CC[C@@H](NC(=O)CCc1c(C)c2ccc(OC)cc2oc1=O)[C@H](O)c1ccccc1F 78994774 YVSBCHPIIDHMSB-NFBKMPQASA-N 427.472 3.810 0 40 IHAB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]2[C@@H]2CCCN21 95346151 LKCKDRMAWUHSIF-NBCVKUGOSA-N 437.499 3.579 0 40 IHAB COC(=O)c1cccc(CCNC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)c1 95454273 ZEBJBDWFBTYSFM-QFIPXVFZSA-N 444.531 3.838 0 40 IHAB O=C([C@@H](c1ccccc1)N1CCSCC1)N1CCc2c(ncn2-c2ccc(F)cc2)C1 96004658 BHLRVRYKNWWCAX-HSZRJFAPSA-N 436.556 3.686 0 40 IHAB CCCOc1ccc(N2C(=O)C[C@H](N3CCC(O)(c4ccc(Cl)cc4)CC3)C2=O)cc1 100147286 JYLAVTHXZBREAH-NRFANRHFSA-N 442.943 3.744 0 40 IHAB COc1ccc(CN[C@@H](c2cc(O)n3nc(C4CCOCC4)cc3n2)C(C)C)cc1OC 100730056 JCAOFSIXCNWWME-XMMPIXPASA-N 440.544 3.833 0 40 IHAB Cc1ccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1 102086364 JMKRAVKMURHGES-XPOUIUQRSA-N 426.516 3.598 0 40 IHAB CCOc1ccccc1CCCNC(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 219626663 KYBVEGPUHKGVLU-UHFFFAOYSA-N 432.586 3.689 0 40 IHAB CCOC(=O)c1cc(NC(=O)CCCN(C)S(=O)(=O)c2ccccc2)ccc1Cl 219726361 GKUDXSOPFWULPV-UHFFFAOYSA-N 438.933 3.556 0 40 IHAB COc1ccc2c(c1)[C@H](NC(=O)CCCN(C)S(=O)(=O)c1ccccc1)CC(C)(C)O2 219727603 UWZPWZFDFCIAFA-HXUWFJFHSA-N 446.569 3.515 0 40 IHAB CCc1ccc(N([C@H](C)C(=O)NCCSCc2ccc(C)cc2)S(C)(=O)=O)cc1 220267310 LXQMYEMEDSHAOD-GOSISDBHSA-N 434.627 3.762 0 40 IHAB CCOC(=O)c1cccc(NC(=O)[C@H](C)N(c2ccc(CC)cc2)S(C)(=O)=O)c1C 220285378 FAVGJUYZKLGBHI-INIZCTEOSA-N 432.542 3.527 0 40 IHAB CC(C)Oc1ccc(CCCNC(=O)[C@H](C)N(c2ccccc2F)S(C)(=O)=O)cc1 220316594 YMHUSXWVTUIKAK-KRWDZBQOSA-N 436.549 3.516 0 40 IHAB C[C@H](C(=O)NCCSCc1cccc(Cl)c1)N(c1cccc(F)c1)S(C)(=O)=O 220468925 XERIAFKDZGYHGC-CQSZACIVSA-N 444.981 3.683 0 40 IHAB CC[C@H](C(=O)Nc1cccc(C(C)=O)c1)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 220750258 IKVGCFGMDQZYHB-GOSISDBHSA-N 438.933 3.735 0 40 IHAB Cc1ccc(C(=O)NCCCN2CCC(C)CC2)cc1N(C)S(=O)(=O)c1ccccc1 224297750 XXFFFTYTLLCSPT-UHFFFAOYSA-N 443.613 3.672 0 40 IHAB CCc1ccc(OCC(=O)N(Cc2ccc(Br)cc2)[C@H](C)C(=O)NC)cc1 225489809 PGEVKOGELHTESQ-OAHLLOKOSA-N 433.346 3.554 0 40 IHAB COc1ccc(CCC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC(C)C)cc1OC 225531196 LYWJVIPZBRMTKT-IBGZPJMESA-N 426.557 3.887 0 40 IHAB CC[C@H](C(=O)Nc1nnc(-c2ccccc2)s1)N(c1ccc(F)cc1)S(C)(=O)=O 225684481 GVXMMJGFNIXEID-MRXNPFEDSA-N 434.518 3.528 0 40 IHAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)s2)cc1 225825675 MLQXGGDHBPINES-UHFFFAOYSA-N 442.444 3.918 0 40 IHAB COc1cc(N)cc(Br)c1NC(=O)c1ccccc1I 227146701 RCFXUWGEAUKZAT-UHFFFAOYSA-N 447.070 3.897 0 40 IHAB CCc1ccc([C@@H]2CC(c3ccc(OC)cc3)=NN2C2=NC(=O)[C@H](CC(=O)O)S2)cc1 252492350 MJQAFDCFWMUFLY-PMACEKPBSA-N 437.521 3.881 0 40 IHAB Cc1cc(C)nc(NCCC(=O)N2CCO[C@H](c3cccc(Cc4ccc(F)cc4)n3)C2)n1 257216920 CWQWSBYCOJRFAP-QHCPKHFHSA-N 449.530 3.620 0 40 IHAB CN(C)C(=O)[C@]1(c2ccccn2)CCCN(Cc2cccc(OCc3ccccn3)c2)C1 257303337 SGUGLJSJKYMSSM-AREMUKBSSA-N 430.552 3.678 0 40 IHAB O=C(CN1CC[C@@H]2CCCC[C@H]2C1)N1C[C@@H](c2csnn2)[C@H](c2ccc(F)cc2)C1 257337757 YUFIVQLRNWVUCL-BVPXEZJJSA-N 428.577 3.899 0 40 IHAB CCc1ccc([C@H](C)NC(=O)[C@H](C)N(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)cc1 260759715 DAKYAHSDLDZOTP-GJZGRUSLSA-N 438.977 3.943 0 40 IHAB CCc1ccc(N([C@H](C)C(=O)NCCOc2cccc3ccccc23)S(C)(=O)=O)cc1 260941265 SEPQAQJQECLMPW-GOSISDBHSA-N 440.565 3.752 0 40 IHAB CCCOc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)NCC(C)C)CC2=O)cc1 408615175 MWJLBAOLIKASQP-GOSISDBHSA-N 437.540 3.853 0 40 IHAB Cc1ccc(N([C@H](C)C(=O)Nc2ccccc2C(=O)NC(C)(C)C)S(C)(=O)=O)cc1C 408629621 FGOBXUZKGGITOG-QGZVFWFLSA-N 445.585 3.625 0 40 IHAB CCCCNC(=O)c1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C 408701009 PXXYKCUHZIJJRS-UHFFFAOYSA-N 443.569 3.562 0 40 IHAB CC(C)Oc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(F)c(Cl)c3)CC2=O)cc1 409125607 DFHJJQGAXQJASJ-CQSZACIVSA-N 448.878 3.801 0 40 IHAB O=C(CN1C(=O)S/C(=C/C=C/c2ccccc2)C1=O)Nc1ccc(N2CCOCC2)cc1 409161276 MCGSQMGLNAXXST-WXEZRFCZSA-N 449.532 3.754 0 40 IHAB O=C(CN1C(=O)S/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C1=O)NC[C@@H]1CCCO1 409210998 LLUIYSNFUZIEHC-PMFHANACSA-N 446.912 3.932 0 40 IHAB COc1ccc([C@@H](CC(=O)NC[C@@H]2OCCc3ccccc32)c2oc(C)cc(=O)c2O)cc1 1547139722 YUFUOABAMGLQSW-GGAORHGYSA-N 449.503 3.615 0 40 IHAB biogenic Nc1c(I)cc(F)cc1C(=O)N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 1644862879 JAIPWTVUDHJANC-RTHLEPHNSA-N 442.194 3.817 0 40 IHAB O=C(COc1ccc2ccccc2c1)N1CCC(Cn2nc3c(cc2=O)CCCC3)CC1 1775966881 KWDYAGJSZMNCDG-UHFFFAOYSA-N 431.536 3.593 0 40 IHAB O=C([C@@H]1C[C@@H]1c1ccc(Cl)cc1)N1CC[C@H]2C[C@@H](CN3CC4(CCCCO4)C3)O[C@H]2C1 2056225837 CTDHASZEJCHPEF-CFNVJGFXSA-N 445.003 3.704 0 40 IHAB Ic1ccccc1Nc1nc2nonc2nc1NNc1ccccc1 797358 PALGWQCPFSKFKV-UHFFFAOYSA-N 445.224 3.800 0 40 IHAB O=C(NC1CCCC1)c1ccc(NC2=C(Cl)C(=O)N(CCc3ccccc3)C2=O)cc1 1785836 XYXHIJSSOZXNPH-UHFFFAOYSA-N 437.927 3.833 0 40 IHAB CSCC[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1ccc(C)c(Cl)c1 2188662 YEJRAHWZXXKOQR-SFHVURJKSA-N 434.945 3.682 0 40 IHAB aggregator,biogenic CCN(C(=O)Nc1ccc(Cl)c(Cl)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 2640249 RYOLEUCFDOEHIR-UHFFFAOYSA-N 448.310 3.532 0 40 IHAB CCCCn1c(=O)c(CCC(=O)OCC(=O)N2c3ccccc3C[C@@H]2C)nc2ccccc21 3437342 ZZHNSFZIJIYQRJ-SFHVURJKSA-N 447.535 3.650 0 40 IHAB COc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2Cc2ccccc2)cc1 3439162 BLLZNUHBNDPCET-UHFFFAOYSA-N 431.521 3.993 0 40 IHAB Cn1c(SCc2nnc(-c3ccc(F)cc3)o2)nnc1[C@H]1COc2ccccc2O1 3450026 BAAOBHVTIOMRBP-MRXNPFEDSA-N 425.445 3.809 0 40 IHAB O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)Nc1ccc2[nH]c(=O)[nH]c2c1 3452235 NWSZNKUWVJCENZ-UHFFFAOYSA-N 442.504 3.835 0 40 IHAB COc1ccc2[nH]c(=O)c(CN(CCCO)C(=S)Nc3ccc(C)cc3C)cc2c1 4128474 HSJZDSTYTYENEO-UHFFFAOYSA-N 425.554 3.735 0 40 IHAB O=C(Nc1nc(SCc2ccc(Cl)cc2)n[nH]1)C1=NN(c2ccccc2)C(=O)CC1 9130447 WTONRKKCDLNFPJ-UHFFFAOYSA-N 440.916 3.872 0 40 IHAB COc1ccc(C(=O)N2N=C(c3ccc(NS(C)(=O)=O)cc3)C[C@H]2c2ccco2)cc1 9260346 MJFLPRMTGXUIEP-FQEVSTJZSA-N 439.493 3.651 0 40 IHAB CC(=O)N1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccncc3)=NN12 9461776 AERYXTFZIXLXKV-LJQANCHMSA-N 441.329 3.726 0 40 IHAB CN(c1ccc(OCC(=O)NC2CCCCCC2)cc1)S(=O)(=O)c1ccccc1F 9512323 FSWIGDCJKOGAPF-UHFFFAOYSA-N 434.533 3.869 0 40 IHAB Cc1ccc(NC(=O)CS[C@H](C)C(=O)OCC(=O)N[C@@H]2CCCc3ccccc32)cc1 9634478 XEZQOWPPRGULDB-DYESRHJHSA-N 440.565 3.792 0 40 IHAB Cn1c(=O)n(Cc2ccc(Cl)cc2Cl)c(=O)c2c1nc1oc(-c3ccccc3)cn12 9789625 OPSLDXIOSFRWMW-UHFFFAOYSA-N 441.274 3.963 0 40 IHAB Cc1cccc(CCCNC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)c1 10110709 MAPARBKFJFSNAU-UHFFFAOYSA-N 429.369 3.817 0 40 IHAB O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)c1ccccc1CN1C(=O)CNC1=O 10276167 WVPQBYHZPHXYRG-UHFFFAOYSA-N 433.439 3.600 0 40 IHAB CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)Cn1c(=O)n(CC)c2ccccc21 10765651 GWYUUDBEHWVBBT-UHFFFAOYSA-N 449.338 3.617 0 40 IHAB CCOc1ccc(CCNS(=O)(=O)c2cc(Cl)c(C)cc2OC)cc1OCC 12412199 VISAIJHLTKGGEQ-UHFFFAOYSA-N 427.950 3.975 0 40 IHAB COc1ccc(-c2csc3ncnc(Sc4nnnn4C[C@@H]4CCCO4)c23)cc1 12813895 YCIFCENAZXLGQQ-AWEZNQCLSA-N 426.527 3.684 0 40 IHAB CC(C)(C)NC(=O)[C@H](c1ccccn1)N(C(=O)c1csnn1)c1cccc(Cl)c1 12870935 KUJDVULWTXEDNN-KRWDZBQOSA-N 429.933 3.889 0 40 IHAB CCC(C)(C)NC(=O)[C@@H](c1cccnc1)N(Cc1ccccc1F)C(=O)c1csnn1 12871998 UAKDESFZQJBVLV-LJQANCHMSA-N 441.532 3.761 0 40 IHAB COc1cccc(CN(C)C(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)c1OC 12906059 DKPPWVIYNPUXHA-QFIPXVFZSA-N 432.520 3.704 0 40 IHAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2ccc(Cl)cc2N2CCCC2=O)c1 12923356 WCPTUHGSONZQJC-UHFFFAOYSA-N 449.960 3.750 0 40 IHAB CS(=O)(=O)c1ccc(NC(=O)c2cc(Br)c(Br)s2)cc1 13002930 CLGYSNOZHXXFPH-UHFFFAOYSA-N 439.150 3.929 0 40 IHAB C[C@@H](Sc1nc(-c2ccc(Br)cc2)nc2ccccc12)C(=O)NC(N)=O 13112771 QFNVERBZRJPKTP-SNVBAGLBSA-N 431.315 3.735 0 40 IHAB Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)/C=C/c2ccc3c(c2)OCO3)c1C 13149867 KEPQJPHTCAUJMV-WAEYIKQSSA-N 436.508 3.692 0 40 IHAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(C(C)C)cc2)C1 13580635 LCWNTTSEMBJRJV-KRWDZBQOSA-N 434.533 3.997 0 40 IHAB COc1ccc(-c2cc3ccc(OCCN4C[C@@H](C)O[C@H](C)C4)cc3oc2=O)cc1OC 13608081 JHPNABKDGOFUMU-IAGOWNOFSA-N 439.508 3.965 0 40 IHAB biogenic CC(C)[C@@H](CO)NC(=O)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 13720882 CPBNLIHBFKCVBZ-ILBGXUMGSA-N 430.548 3.809 0 40 IHAB C[C@@H](NC(=O)CN1C(=O)N[C@]2(CCCc3sccc32)C1=O)c1ccc2ccccc2c1 14018078 JTOXVVPJEBLRKF-MYYSRTQBSA-N 433.533 3.862 0 40 IHAB COc1ccc([C@H]2CCCN2C(=O)CNC(=O)Cc2cccc3ccccc23)c(OC)c1 14244243 OTAZXAZMFNDKGK-HSZRJFAPSA-N 432.520 3.879 0 40 IHAB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)Nc1ccc(N2CCCC2=O)cc1 14370349 QLMLUWGYUUNYHZ-UHFFFAOYSA-N 449.532 3.647 0 40 IHAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 14399241 WXJUVLRVLPKKRV-SFHVURJKSA-N 447.538 3.749 0 40 IHAB COc1ccc(OC)c(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)c1 15083384 COQVMXGCEQTLKH-UHFFFAOYSA-N 448.541 3.529 0 40 IHAB O=C(Cc1ccc2c(c1)OCCO2)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 16014555 IEBDKKLVUIMHRT-UHFFFAOYSA-N 425.872 3.895 0 40 IHAB CC(C)[C@H](NC(=O)Cc1csc(NC(=O)c2ccco2)n1)c1ccc2c(c1)OCCO2 16495555 NGJMWVJSSDQTOK-FQEVSTJZSA-N 441.509 3.816 0 40 IHAB CCCCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCO)cc1OC 16753627 YTDZFCHLRKUCTB-JOCHJYFZSA-N 437.492 3.826 0 40 IHAB COc1cccc(C(=O)N2CCO[C@@](Cc3cccc(-c4ccc(C)cc4)c3)(C(N)=O)C2)c1 19212721 OPZSVJXOIMYOJR-HHHXNRCGSA-N 444.531 3.610 0 40 IHAB COc1cccc(OC)c1OCC(=O)N1CCC[C@@H]1c1nc(C)ncc1-c1ccncc1C 19239820 WQCYVGRUWNGHSG-HXUWFJFHSA-N 448.523 3.915 0 40 IHAB CC(C)NC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)[C@@H]2CCCO2)C1 19449167 JIJPMOVYALTXKI-GBXCKJPGSA-N 426.582 3.880 0 40 IHAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3nnc(CCN4CCC(C)CC4)s3)cc2)n1 19574451 MZAPQFPJDHWWKH-UHFFFAOYSA-N 438.601 3.926 0 40 IHAB COc1ccc(CN(C)CC(=O)N2CCC(c3ccc(-c4ccc(N)nc4)cn3)CC2)cc1 19688099 CXIUGHAKMLKPSF-UHFFFAOYSA-N 445.567 3.572 0 40 IHAB Cc1nc(C2CCN(C(=O)[C@H]3CCCO3)CC2)nc2c1CCCN2CCc1ccccc1 19705719 QGKDGLDRPDRLJJ-HSZRJFAPSA-N 434.584 3.665 0 40 IHAB CC(C)Oc1cc(CCC(=O)N2CC[C@H]3[C@H]2CCCCC(=O)N3Cc2ccccc2)on1 19713788 SKROVHKPTHWFBA-YADHBBJMSA-N 439.556 3.967 0 40 IHAB Cc1nc([C@@H]2CCCCN2C(=O)c2cc(C(C)C)n[nH]2)nc2c1CCC(=O)N2CC1CC1 19740802 LGBFQRSAJZRKSI-FQEVSTJZSA-N 436.560 3.688 0 40 IHAB O=C(c1cc2nc(C3CC3)cc(C(F)F)n2n1)N1CCN(Cc2ccc(F)cc2)CC1 20028543 NTFPFQQKVRWBEM-UHFFFAOYSA-N 429.446 3.641 0 40 IHAB COC(=O)c1cc2cc(NC(=O)c3cnc4sc5c(n4c3=O)CCCC5)ccc2s1 20030130 JGLJXZXZPOQEON-UHFFFAOYSA-N 439.518 3.888 0 40 IHAB CC(C)c1nnc(S[C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)n1Cc1ccco1 22133462 XJEVNJAUYODKNI-SFHVURJKSA-N 439.585 3.872 0 40 IHAB CCN(c1cc(OC)c(OC)cc1C(=O)Nc1cc(Cl)ccc1C)S(C)(=O)=O 22251951 WKOVAZJIKHMHHI-UHFFFAOYSA-N 426.922 3.704 0 40 IHAB Cc1ccc([C@H](C)NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1C 22332080 USBHNIRBCDUVHP-HNNXBMFYSA-N 439.375 3.709 0 40 IHAB C[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 22458125 YQQWGJDORMYHBN-IEBWSBKVSA-N 434.989 3.878 0 40 IHAB NC(=O)c1ccccc1NC(=O)C1CCN(c2ccc(-c3ccc(Cl)cc3)nn2)CC1 23143212 LCUMOMJHPIEAEV-UHFFFAOYSA-N 435.915 3.751 0 40 IHAB COc1cc2nc(CN3CCC[C@@H](c4nc5ccccc5s4)C3)[nH]c(=O)c2cc1OC 23935567 WCOYNFSPCXGCAD-CQSZACIVSA-N 436.537 3.930 0 40 IHAB O=C(NC1CCCCCC1)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 24613259 RKPYDLMSHUOBSY-UHFFFAOYSA-N 430.973 3.860 0 40 IHAB O=C(Nc1cc(F)ccc1OCC(F)(F)F)c1cccc(S(=O)(=O)N2CCCC2)c1 25051446 DSTWOEWXHPVHFZ-UHFFFAOYSA-N 446.422 3.804 0 40 IHAB Cc1cccn2cc(COc3ccc(C(=O)Nc4ccc(N5CCOCC5)nc4)cc3)nc12 25323739 PFPVVHXWIMYMHC-UHFFFAOYSA-N 443.507 3.706 0 40 IHAB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)CC(=O)Nc1cccc2ncccc12 25948718 FQTLRHRQZLZEPK-UHFFFAOYSA-N 430.430 3.941 0 40 IHAB CC[C@@](C)(CNC(=O)c1cc(Br)c(Br)s1)N1CCOCC1 31931148 RNVGRCXIVFYBEM-AWEZNQCLSA-N 440.201 3.504 0 40 IHAB COC(=O)c1cnc(NC(=O)[C@@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)s1 32494102 AMXFPCLYQXCKBD-ZDUSSCGKSA-N 430.313 3.630 0 40 IHAB OCCN1CCN([C@@H]2Cc3ccc(F)cc3Sc3ccc(Br)cc32)CC1 33884266 LDEZXABKDITBRB-GOSISDBHSA-N 437.378 3.947 0 40 IHAB CN1CCC2(CC1)N=C(SCC(=O)Nc1cccc(F)c1)C(c1ccc(F)cc1)=N2 35372757 ZBBAIMLHEAVBHP-UHFFFAOYSA-N 428.508 3.960 0 40 IHAB O=C(CSc1nnc2c3cc(-c4ccc(F)cc4)nn3ccn12)NCc1ccccc1 38486877 GYTOTAZVZCYFIJ-UHFFFAOYSA-N 432.484 3.592 0 40 IHAB COc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(N3C[C@@H](C)O[C@H](C)C3)o2)cc1 39845883 DCVPECIBDRFZAG-HZPDHXFCSA-N 428.510 3.797 0 40 IHAB COC(=O)c1ccc(N2CCCC2)c(NC(=O)NC[C@H](c2ccc(F)cc2)N(C)C)c1 40152267 XMLHDMYJIRYPPC-OAQYLSRUSA-N 428.508 3.637 0 40 IHAB CCOc1ccc([C@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CCO)cc1OCC 40513377 GECSTHGIFKMADF-QFIPXVFZSA-N 437.492 3.745 0 40 IHAB O=c1ccn(-c2ccc(F)c(F)c2)nc1-c1nc(-c2ccc(Br)cc2)no1 49006400 BNTULVMBZFLWEE-UHFFFAOYSA-N 431.196 3.990 0 40 IHAB CC[C@@H]1CCCCN1C(=O)Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2ccccc21 57473072 WZHGUGNPTKLUET-LJQANCHMSA-N 439.943 3.656 0 40 IHAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1 64982511 MQKNRTSNZRPFNL-HNNXBMFYSA-N 431.539 3.967 0 40 IHAB CCOc1ccc(C(=O)OCC(=O)NCc2ccccc2C(F)(F)F)cc1OCC 72333874 MINYMPGQNMPICI-UHFFFAOYSA-N 425.403 3.976 0 40 IHAB O=C(Nc1cc(Br)c[nH]c1=O)c1cc(-c2ccco2)nn1-c1ccccc1 78702736 AVYMHBZONAXDPC-UHFFFAOYSA-N 425.242 3.835 0 40 IHAB CC(C)c1cc(NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)n(-c2ncccn2)n1 95461278 RJDKSHXGDGTKBU-IBGZPJMESA-N 438.919 3.645 0 40 IHAB CC(C)Cn1ccnc1CNC(=O)[C@H]1CC(=O)N(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 95989117 IENNALOZXIBXFD-KKSFZXQISA-N 434.943 3.946 0 40 IHAB COc1ccc(OC)c(-c2cc(C(=O)Nc3ccc(N4CC[C@H](OC)C4)cc3)n(C)n2)c1 96122235 LCZPGIKKOLBERX-IBGZPJMESA-N 436.512 3.582 0 40 IHAB CN(C)c1ncc(-c2ccccn2)c([C@H]2CC[C@H](CNC(=O)Cc3ccccn3)CC2)n1 100727881 ZOPKRCPVPQZAEQ-KDURUIRLSA-N 430.556 3.632 0 40 IHAB CSCC[C@@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc12 106807734 JOHRRPUZINTVMC-LDBYXDLTSA-N 433.936 3.996 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCS[C@H](c3ccc4c(c3)OCO4)CC2)cc1F 219260086 JLZXQFIDWOIRDB-FQEVSTJZSA-N 439.530 3.822 0 40 IHAB COc1ccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3cccc(C)c3C)n2)c(OC)c1 219311969 YUBSKCGNNMPBEJ-INIZCTEOSA-N 425.485 3.797 0 40 IHAB COc1ccc(-c2noc(CN(C)C(=O)C3CCN(Cc4cccc(C)c4)CC3)n2)cc1 219407420 ONVRHVVYPYSXAX-UHFFFAOYSA-N 434.540 3.924 0 40 IHAB CC[C@H](C(=O)n1cc(C(=O)OC)c2ccccc21)N(c1cc(C)ccc1C)S(C)(=O)=O 222633826 ZDXCJLSTHNFYSW-LJQANCHMSA-N 442.537 3.930 0 40 IHAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCc3ccc(F)cc3)cc2)cc1 223920906 LUQSHEGVTOSYHK-UHFFFAOYSA-N 442.512 3.632 0 40 IHAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(F)cc1 224029600 OVJRTAFMQRQREW-QFIPXVFZSA-N 430.520 3.937 0 40 IHAB O=S(=O)(Cc1ccccc1F)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 224549232 OZHIMRPBHYNWFH-UHFFFAOYSA-N 438.477 3.708 0 40 IHAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)COc1cc(OC)cc(OC)c1 224802731 XIXALCLXETXQCT-MRXNPFEDSA-N 448.947 3.680 0 40 IHAB COCc1cccc(NC(=O)CCCN(c2ccc(OC(C)C)cc2)S(C)(=O)=O)c1 224907010 JYAXJXHASRAMRH-UHFFFAOYSA-N 434.558 3.805 0 40 IHAB COc1ccc(OCCCC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)C)cc1 225587329 YDOHNFFWEFACCR-GOSISDBHSA-N 430.520 3.935 0 40 IHAB Cc1nc(C)c(C(=O)N2CC[C@H](c3nc(C)c4c(n3)N(Cc3ccccc3)CCC4)C2)o1 257250446 JMOMKUICKFRISX-FQEVSTJZSA-N 431.540 3.972 0 40 IHAB Fc1ccc(Cc2cccc([C@@H]3CCCN(Cc4ccnc(N5CCOCC5)n4)C3)n2)cc1 257299502 RQIOOJKDTHAIRD-OAQYLSRUSA-N 447.558 3.818 0 40 IHAB CNC(=O)[C@@]1(c2ccccn2)CCCN(CC(=O)N(c2ccccc2)c2ccccc2)C1 257339133 ZAHXGYIFIFSJMQ-SANMLTNESA-N 428.536 3.526 0 40 IHAB Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Br)cc2C)cc1 408648271 WSYCKWTVZSGMKD-UHFFFAOYSA-N 433.302 3.967 0 40 IHAB COc1ccc(S(=O)(=O)NCCSCc2ccccc2)cc1C(=O)N1CCCCC1 408693426 TXQPTZGFQYCMHS-UHFFFAOYSA-N 448.610 3.533 0 40 IHAB Cc1ccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2C)cc1 409138764 HTPUCCCXLBWSAQ-KRWDZBQOSA-N 437.569 3.962 0 40 IHAB Cc1cc(I)cc(C)c1NC(=O)COC(=O)c1ccc(C=O)cc1 409179527 RWCQXUVOXZRQPL-UHFFFAOYSA-N 437.233 3.516 0 40 IHAB CCN1CCN(C(=O)C2CCNCC2)C[C@@H](Cc2ccccc2-c2ccc(C)cc2)C1=O 585172777 SVFWXYACVBNEJY-XMMPIXPASA-N 433.596 3.511 0 40 IHAB COc1cccc(-c2cc(C(=O)N[C@@H]3CCN(c4ccc(C(F)(F)F)cn4)C3)n(C)n2)c1 585305330 XKYFJQHUCGIQGZ-MRXNPFEDSA-N 445.445 3.518 0 40 IHAB Cn1cc([C@@H]2CN(C(=O)[C@H]3CCCN3c3nc4ccccc4o3)Cc3ccccc32)cn1 585410078 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COc1ccc(C(=O)Nc2nc3ccc(C)cc3s2)cc1S(=O)(=O)N1CCCC1 3592148 MVWIIEXYMSQENC-UHFFFAOYSA-N 431.539 3.650 0 40 IHAB Cc1cc(Cl)ccc1OCC(=O)N(Cc1sccc1C)[C@@H]1CCS(=O)(=O)C1 8612057 IEZDZAGBZNGVFP-MRXNPFEDSA-N 427.975 3.613 0 40 IHAB COc1ccc(NC(=O)c2c(C)[nH]c3ccccc23)cc1S(=O)(=O)N1CCCCC1 8704168 QGNOQLAIOIMDEN-UHFFFAOYSA-N 427.526 3.912 0 40 IHAB COc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2cccnc2)cc1OC 8845306 HEJZXLHPYFUKSI-XMMPIXPASA-N 442.475 3.940 0 40 IHAB CCCN(CC(=O)Nc1ccccc1C(=O)NC1CC1)Cc1nnc(-c2cccs2)o1 8965894 XNHTWQDCENCESK-UHFFFAOYSA-N 439.541 3.541 0 40 IHAB C[C@@H](NC(=O)CN1C(=O)C(=O)N(CCC2=CCCCC2)C1=O)c1ccc2ccccc2c1 8966122 VWKVKWZULGDCHU-QGZVFWFLSA-N 433.508 3.698 0 40 IHAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2ccc3c(c2)OCCO3)n1C 9096184 SRRNKGOPADSDIM-UHFFFAOYSA-N 430.917 3.946 0 40 IHAB C[C@@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3)C(=O)NC[C@@H](O)c1ccccc1 9187496 IHGASBHTRQLXPJ-BFUOFWGJSA-N 427.884 3.552 0 40 IHAB CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)c1ccccc1-n1cnnn1 9252819 DOYZNBDLMFDQKO-UHFFFAOYSA-N 438.285 3.957 0 40 IHAB CC(C)COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC(C)C)[C@@H]1c1ccc(Cl)cc1 9318243 PCHLMRSRHSVUTR-URFJDIBFSA-N 438.948 3.778 0 40 IHAB COc1cc(/C=C(/C(=O)N2CCOCC2)c2nc3ccccc3[nH]2)ccc1OC(F)F 9583938 CFASOSZKUPUUNS-NTCAYCPXSA-N 429.423 3.572 0 40 IHAB COc1ccc2cc(CNC(=O)C3CCN(S(=O)(=O)c4ccccc4)CC3)ccc2c1 9937419 RFLJBYASKBXGNQ-UHFFFAOYSA-N 438.549 3.566 0 40 IHAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c1C 9971996 JOBKIPLYEJEMHH-ZHALLVOQSA-N 446.569 3.507 0 40 IHAB CCOC(=O)c1cccc(NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)c1C 10442781 PHHYBWKRRDHCAU-UHFFFAOYSA-N 438.933 3.538 0 40 IHAB Cc1ccccc1Cn1cnc2c(cnn2CCNC(=O)c2ccc(C(C)(C)C)cc2)c1=O 12072092 FZLHVKYDKLOTFI-UHFFFAOYSA-N 443.551 3.677 0 40 IHAB CC(C)(C)c1ccc(OCC(=O)N(Cc2ccccc2F)[C@H]2CCS(=O)(=O)C2)cc1 12111539 ANHVOUCESXIXDA-IBGZPJMESA-N 433.545 3.718 0 40 IHAB Cc1cc2c(s1)c1cnn(CC(=O)N3CCCCC3)c(=O)c1n2Cc1ccc(F)cc1 12113485 DWUCXJGRTSRJEL-UHFFFAOYSA-N 438.528 3.921 0 40 IHAB CCOc1ncc(C2(O)[C@H]3CCC[C@@H]2CN(Cc2cccc4ncccc24)C3)c(OCC)n1 12181062 PGSQLUSPRJECJT-NJEHHLDASA-N 448.567 3.942 0 40 IHAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 12536041 HJRQUJSHTHESHR-WUKNDPDISA-N 442.562 3.920 0 40 IHAB CCN(CC(=O)Nc1cccc(OC)c1)C(=O)Cc1csc(-c2ccc(F)cc2)n1 12690706 RAKGNRUTBAQTIL-UHFFFAOYSA-N 427.501 3.988 0 40 IHAB COc1ccc2cc([C@@]3(C)NC(=O)N(C[C@H](O)COc4c(C)cccc4C)C3=O)ccc2c1 12748356 DLYTZJZWQHZBAE-HFZDXXHNSA-N 448.519 3.672 0 40 IHAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3cccc(Cl)c3)c12 12776508 KWYBUCATVQOPPL-INIZCTEOSA-N 444.944 3.882 0 40 IHAB CCn1c(S[C@@H](C)C(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)nnc1C1CC1 13013301 JATFBLCAXCRVHV-JTQLQIEISA-N 439.463 3.660 0 40 IHAB COc1ccccc1CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 13148409 VKEUJVNNUUFNKU-UHFFFAOYSA-N 436.961 3.843 0 40 IHAB Cc1c(Cl)cccc1S(=O)(=O)NCCc1nnc(SCc2ccccc2)n1C 13565273 GYXVKWYIFZHORN-UHFFFAOYSA-N 436.990 3.590 0 40 IHAB COc1ccc2nc(-c3cccc(NC(=O)[C@H](C)Oc4ccc5c(c4)OCO5)c3)cn2n1 13709801 HDVLKHMYKWHKPM-AWEZNQCLSA-N 432.436 3.540 0 40 IHAB CN(CCOc1ccccc1)C(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 14245332 NEJTYLBPCUVMMG-UHFFFAOYSA-N 428.485 3.778 0 40 IHAB COc1cccc(C(=O)OCC(=O)N2CCC(Cc3ccccc3)CC2)c1OC(F)F 14361513 AQWIYGWTWNJJOU-UHFFFAOYSA-N 433.451 3.935 0 40 IHAB Cn1c(=O)n(CC(=O)NCc2ccc(-c3ccc(Br)cc3)o2)c2ccccc21 14370069 XBPREPHSWCGMBT-UHFFFAOYSA-N 440.297 3.679 0 40 IHAB C[C@@H](Nc1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl)c1nnc2ccccn12 15141188 AZMWBHVRVUAKEP-SNVBAGLBSA-N 435.797 3.516 0 40 IHAB COc1ccc(NC(=O)NC(=O)COC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1 15226619 KSPWGXIODJEGED-UHFFFAOYSA-N 442.399 3.511 0 40 IHAB O=C(CSc1nnc(Cc2ccccc2)n1-n1cccc1)Nc1ccc(F)cc1F 15881918 QQLIHWLBGSDAKU-UHFFFAOYSA-N 425.464 3.991 0 40 IHAB O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1CC(=O)N(c1ccccc1)C1CCCCC1 16046694 ZGKLLSYTHWVXCL-HSZRJFAPSA-N 444.535 3.997 0 40 IHAB NC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(Cc2ccc3c(c2)OCCO3)C1 19333443 ASVCWGDOVRPQCE-HHHXNRCGSA-N 443.547 3.830 0 40 IHAB CCN(CC)C(=O)CN1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(F)cc1)CN2C(=O)c1ccccc1 19526230 VRRAFXITZMOJDE-WXFUMESZSA-N 437.559 3.624 0 40 IHAB CCOC(=O)[C@@]1(Cc2cc(-c3ccc(C)cc3)no2)CCCN(C(=O)[C@H]2CCCO2)C1 19529890 NAHFNQOCQVPENT-ZJSXRUAMSA-N 426.513 3.543 0 40 IHAB CNC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)COc2ccccc2)C1 19591459 SBMWICJKEWSRQG-MHZLTWQESA-N 428.532 3.940 0 40 IHAB COc1cccc(C(=O)N2CC[C@H](c3ccc4c(NCc5ccccn5)n[nH]c4n3)C2)c1 19704765 LZEKIWQINSDVAO-KRWDZBQOSA-N 428.496 3.603 0 40 IHAB CCN(Cc1cnn(C)c1)[C@@H]1CCO[C@H](c2ccc(C(=O)Nc3nccs3)cc2)C1 19712719 RJBCWEXCPLDJBN-UXHICEINSA-N 425.558 3.871 0 40 IHAB Cc1nc([C@@H]2CCCN2C(=O)COc2ccccc2F)ncc1C(=O)NCc1ccccc1 19755228 VVZXQNVNZXYQOC-NRFANRHFSA-N 448.498 3.597 0 40 IHAB O=C([C@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1)N1CCCc2ccccc21 19860627 IKKSFNCZILTFGB-IBGZPJMESA-N 432.973 3.861 0 40 IHAB O=C(C[C@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n21)NCCc1ccccc1 19962191 QXYUIXXNJGZQCD-DEOSSOPVSA-N 438.531 3.916 0 40 IHAB C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 20107306 LBRSNUTUAAMVRR-KNQAVFIVSA-N 426.582 3.639 0 40 IHAB COc1cc(OC)c(-c2nc3c(c(=O)[nH]2)Cc2cc(Br)ccc2O3)cc1OC 20901841 HRVKFOYROYDMTJ-UHFFFAOYSA-N 445.269 3.922 0 40 IHAB Cc1ccc(NC(=O)CSc2nc(CN3CCOCC3)nc3ccccc23)c(F)c1 22373423 JZKOLBYDRHYDPZ-UHFFFAOYSA-N 426.517 3.640 0 40 IHAB O=C(CN1CCN(Cc2ccsc2)CC1)N1CCC(c2nc3ccccc3s2)CC1 22785211 NSIKFLNGMGEUEE-UHFFFAOYSA-N 440.638 3.882 0 40 IHAB COc1ccc(C)cc1NC(=O)CN1CCN(Cc2csc(-c3ccccc3)n2)CC1 22931503 JUWYWIKIDMVMEC-UHFFFAOYSA-N 436.581 3.883 0 40 IHAB Cc1nc(COc2ccc(C(=O)N[C@H](CN3CCOCC3)c3ccccc3)cc2)cs1 23883519 QOPMCIWXCIEYRK-HSZRJFAPSA-N 437.565 3.834 0 40 IHAB CC1(C)NC(=O)N(CCOC(=O)c2c3c(nc4ccccc24)CC[C@H](C(C)(C)C)C3)C1=O 24756647 ORURNKYNSBELCM-HNNXBMFYSA-N 437.540 3.873 0 40 IHAB O=C(Nc1cccnc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 26108915 QIPYXWMCVAFSDE-UHFFFAOYSA-N 428.341 3.569 0 40 IHAB O=C(c1cccc(C(=O)N2CCC[C@@H]2c2cccnc2)n1)N1CCC[C@H]1c1cccnc1 30646672 QILREJBPLBYXMH-ZRZAMGCNSA-N 427.508 3.826 0 40 IHAB COc1cc(S(=O)(=O)n2cnc3cc(C)c(C)cc32)c(OC)cc1Br 31904016 LKVTVEQMHSSNIU-UHFFFAOYSA-N 425.304 3.670 0 40 IHAB Cc1sc2ncn(CCC(=O)N3CCC[C@H]3c3ccc4c(c3)OCCO4)c(=O)c2c1C 32898759 LBBXTQNCFGNZPR-KRWDZBQOSA-N 439.537 3.600 0 40 IHAB COc1cc(NC(=O)CSc2nc(C3CC3)nc(C)c2C(C)=O)cc(OC)c1OC 32908134 VHILHPVTRKTTAT-UHFFFAOYSA-N 431.514 3.622 0 40 IHAB CCN1c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2-c2ccccc2S1(=O)=O 33088707 FLQYETKJPYDDPP-UHFFFAOYSA-N 436.489 3.541 0 40 IHAB Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)Nc1ccc(F)cc1F 35394805 ZMZMABOXBPNFJO-UHFFFAOYSA-N 438.496 3.902 0 40 IHAB Cc1ccc(C(=O)C2CCN(c3ccc(S(=O)(=O)N4CCCCC4)cn3)CC2)c(C)c1 40083204 XZHSAFCWPSIJDQ-UHFFFAOYSA-N 441.597 3.972 0 40 IHAB Cc1ccc(Nc2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2cc(Cl)ccc2C)CC(=O)N3)cc1 40400503 KBWUUKOCFRLFJN-HNNXBMFYSA-N 437.887 3.848 0 40 IHAB O=C([C@H]1CCC[C@H](C(F)(F)F)C1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 46896380 UGGBCGVFQRHIKT-KBPBESRZSA-N 438.899 3.542 0 40 IHAB CCn1c(NC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)c(NC)c(O)nc1=O 58325055 QKGKSQDENTZQPD-UHFFFAOYSA-N 433.443 3.617 0 40 IHAB Fc1cc(Br)ccc1-c1nnc2sc(-c3n[nH]cc3Br)nn12 61718760 PFMNQXLPEVPQSR-UHFFFAOYSA-N 444.087 3.907 0 40 IHAB COc1cc(NC(=O)Cn2cc(-c3ccccc3)c3ncn(C4CC4)c(=O)c32)cc(OC)c1 65113411 KQDXFSFWIPXANZ-UHFFFAOYSA-N 444.491 3.856 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)CSc1nc2cc(C)[nH]c2c(=O)n1CC(C)C 67237711 WVBOSTMCXWXIPB-UHFFFAOYSA-N 442.541 3.597 0 40 IHAB COc1ccc(CC(=O)N2CCC[C@H](c3cccc(-c4ccc(C(N)=O)cc4)n3)C2)cc1 72349562 WRPIGXQTCXVQAK-NRFANRHFSA-N 429.520 3.805 0 40 IHAB Cc1cc(Nc2cnccn2)cc([C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3C)C2)n1 72375007 YGRDACHDDSOGFF-KRWDZBQOSA-N 441.532 3.939 0 40 IHAB Cc1cc(C)nc(Nc2cccc([C@@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)n2)n1 72375981 AAWRBYSGFVSRCG-QGZVFWFLSA-N 441.532 3.939 0 40 IHAB O=C(C[C@H]1OC(=O)c2ccccc21)NC1(c2cccc(Br)c2)CCOCC1 89857844 CXKGPAMUVIMRFD-GOSISDBHSA-N 430.298 3.873 0 40 IHAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CCC(=O)Nc2ncccc2O)cc1 95946564 ODVUCQVJSBNLKX-NRFANRHFSA-N 444.491 3.892 0 40 IHAB Cc1nc(Cn2cc(-c3cc(C(=O)N4CCC[C@@H](O)C4)c4ccccn34)nc2C)cs1 96154965 GECVVZUYBZVBSN-GOSISDBHSA-N 435.553 3.521 0 40 IHAB CC(=O)OC[C@]12CC[C@H]3[C@@H](C(=O)C[C@H]4C[C@@H](OC(C)=O)CC[C@]34C)[C@@H]1C[C@@H](OC(C)=O)C2 118925017 SUMWMGNUBMBBTF-KQFLBCLISA-N 448.556 3.615 0 40 IHAB CCOC(=O)c1cccc(NC(=O)[C@H](CC)N(c2cc(C)ccc2C)S(C)(=O)=O)c1C 220550170 ZEATXGWKZSBMNV-FQEVSTJZSA-N 446.569 3.972 0 40 IHAB CCOc1ccc(N([C@H](CC)C(=O)N[C@@H](CC)c2ccc(OC)cc2)S(C)(=O)=O)cc1 220679968 FXATXCSYNGIEAO-FCHUYYIVSA-N 448.585 3.906 0 40 IHAB CCc1ccc(OCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC)c(Br)c1 222384976 QPLFZUGEUPCHCB-MRXNPFEDSA-N 447.373 3.862 0 40 IHAB CCOC(=O)c1ccc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1Cl 222590017 IUDYLGFHTBDBTI-UHFFFAOYSA-N 436.917 3.699 0 40 IHAB CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc2c(c1)OCCO2 222931479 MNJLMBYBYFSOSN-MRXNPFEDSA-N 430.932 3.597 0 40 IHAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc2c(c1)OCCO2 223134512 DEYCRZTXCIGGJI-QZTJIDSGSA-N 442.531 3.862 0 40 IHAB CCC(=O)N(Cc1ccc(OC)cc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccncc1 223264887 BQRDOSLOJZIDTA-DEOSSOPVSA-N 431.536 3.757 0 40 IHAB OCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(Br)c1 223587322 XJIXQZDERDMUGH-RBUKOAKNSA-N 443.370 3.600 0 40 IHAB O=C(O)c1ccc(Cl)c(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCO)o2)c1 223596305 CNEDKEDGRQZMNP-RBUKOAKNSA-N 443.912 3.658 0 40 IHAB COCc1cccc(NC(=O)[C@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c1 224016396 GUVMIBHAJHFQGB-LBPRGKRZSA-N 431.341 3.933 0 40 IHAB CCOc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1COCc1ccccc1 224750043 UGSPVSDUKZRCGG-UHFFFAOYSA-N 440.521 3.702 0 40 IHAB NC(=S)[C@@H]1[C@@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242463810 DMMXXYQEZOSGJJ-RBSFLKMASA-N 430.776 3.945 0 40 IHAB NC(=O)C[C@]1(COc2cccc(Cl)c2)CN(Cc2cnn(C3CCCCC3)c2)CCO1 257207230 BGXYGLWBXPXMFZ-HSZRJFAPSA-N 446.979 3.567 0 40 IHAB Cc1ccc(NCC(=O)N2CCC[C@](COc3ccc(Cl)c(C)c3)(CC(N)=O)C2)cc1 257219516 DHBJGGVLCNETBM-DEOSSOPVSA-N 443.975 3.932 0 40 IHAB COCCc1nnc(NC(=O)C2(Cc3cccc(-c4ccncc4)c3)CCOCC2)s1 257246921 IWNSKDGBJXWNIL-UHFFFAOYSA-N 438.553 3.767 0 40 IHAB Cc1nnc(Nc2cccc([C@@H]3CN(C(=O)Cn4c(C)cc5ccccc54)CCO3)n2)s1 257266194 MBYNMDUZIAJRPS-FQEVSTJZSA-N 448.552 3.848 0 40 IHAB CC(C)c1ccc(C[C@@]2(C)Cc3cc(CC(=O)N(CCO)CCN(C)C)ccc3O2)cc1 257313669 UTOPCNHYFQNIAW-MHZLTWQESA-N 438.612 3.671 0 40 IHAB O=C(C1CCN(Cc2ccc(F)cc2)CC1)N1CC[C@@]2(C1)CN(c1ccccc1)C(=O)O2 257337041 YRCYUVINNDHKSK-RUZDIDTESA-N 437.515 3.666 0 40 IHAB C[C@@H](CC(C)(C)c1ccccc1)NC(=O)[C@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O 260836992 CHACIVDHDZZZDF-HOTGVXAUSA-N 438.540 3.992 0 40 IHAB COc1ccc(Cl)cc1N(CC(=O)N[C@H](C)c1cc(C)c(C)cc1C)S(C)(=O)=O 260934990 NWARPVUSCAJJDO-MRXNPFEDSA-N 438.977 3.917 0 40 IHAB COc1ncccc1NC(=O)c1nc([C@@H]2CCCN2Cc2ccccn2)n2ccccc12 306126920 FJEOHNDLPYSUIQ-FQEVSTJZSA-N 428.496 3.722 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3OCC)C2)cc1 408557757 HROBIDXKTRGGIK-KRWDZBQOSA-N 432.542 3.523 0 40 IHAB Cc1ccccc1CNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 408616164 WQSCFKDVIGCOJR-JOCHJYFZSA-N 441.531 3.912 0 40 IHAB COc1cc(OC)cc(-c2nnc(S/C(=C\c3ccc(O)c(OC)c3)C(=O)O)o2)c1 408634223 SHEOIXYDZCWBKQ-IDUWFGFVSA-N 430.438 3.686 0 40 IHAB COc1ccc(NS(=O)(=O)c2cccc(N3C(=O)[C@H]4CC[C@@](C)(C3=O)C4(C)C)c2)cc1 408721271 GCKVCEUAXUGINM-XXBNENTESA-N 442.537 3.812 0 40 IHAB CC(=O)c1ccc(-c2ccc(/C=C3/NC(=O)N(CC(=O)Nc4ccc(C)cc4)C3=O)o2)cc1 409022044 IGUJANPKNZTWHN-FYJGNVAPSA-N 443.459 3.989 0 40 IHAB C[C@H](NC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccccc1Cl)c1ccnc(O)c1 502223399 LWYHGWPGYXFSSO-YCRPNKLZSA-N 435.911 3.885 0 40 IHAB O=C(CCNS(=O)(=O)c1cccs1)N1CCCC[C@H]1c1ncc(-c2ccccc2)[nH]1 507305898 WFGQFTOOYBLAPE-SFHVURJKSA-N 444.582 3.560 0 40 IHAB O=C(c1ccccc1-c1ccc(C(F)(F)F)cc1)N1[C@H]2C[C@H]3[C@H]([C@@H]2O)[C@@H]2C[C@H]3[C@H](O)[C@H]21 583310684 PUVOXYPUFXCIDU-MBUUOGHZSA-N 429.438 3.573 0 40 IHAB O=C(Nc1ccccc1)c1nnc2n1CC[C@@]1(CC2)CCN(C(=O)c2cccc(F)c2)C1 585106900 KUMXUIMWNSDDIA-XMMPIXPASA-N 433.487 3.538 0 40 IHAB COCCn1ccc2c(NC(=O)CC3(N4Cc5ccccc5C4=O)CCOCC3)cccc21 1548348916 VWGNOOIIHBFZDY-UHFFFAOYSA-N 447.535 3.822 0 40 IHAB O=C([C@@H]1CCCN(c2ncc(C(F)(F)F)cc2Br)C1)N1CCSCC1 2086861352 GFJCQVHWDHDCQA-LLVKDONJSA-N 438.313 3.655 0 40 IHAB Cc1cc(C)nc(SCc2nnc(SCC(=O)Nc3cccc(C)c3C)n2C)n1 907018 MQRKZDPJOXCDSX-UHFFFAOYSA-N 428.587 3.862 0 40 IHAB O=C(/C=C/c1ccco1)Oc1ccc(/C=N/NC(=O)c2cncc(Br)c2)cc1 1234841 AEXSGQCJXCUMCT-VVBFCDGFSA-N 440.253 3.820 0 40 IHAB CCc1cc2c(=O)n(CCCOC)c(SCC(=O)Nc3ccc(F)cc3)nc2s1 2617781 DVCLXHJBRGUQTA-UHFFFAOYSA-N 435.546 3.927 0 40 IHAB O=C(COc1cccc2c1CCN(Cc1ccccc1)C2=O)Nc1ccc2c(c1)OCCO2 2716351 ULBCWSJSRSFHOZ-UHFFFAOYSA-N 444.487 3.674 0 40 IHAB CCOC(=O)c1c(NC(=O)COC(=O)/C=C/c2ccc3c(c2)OCO3)sc(CC)c1C 3436357 XONSTFJNGSHXGG-VQHVLOKHSA-N 445.493 3.719 0 40 IHAB COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)OCC(=O)c1ccccc1 3524469 XHWJZVZMTINFHL-UHFFFAOYSA-N 429.428 3.531 0 40 IHAB COc1cc(OCC(=O)NC(C)C)cc2c1C(=O)O[C@@H](C)CCCC(=O)CCCCC2 4085279 LSBVKORITUHVTC-KRWDZBQOSA-N 433.545 4.000 0 40 IHAB biogenic COCC(=O)Nc1nnc(SCC(=O)N(C2CCCCC2)C2CCCCC2)s1 4905868 RMGQZXMLXJDABT-UHFFFAOYSA-N 426.608 3.709 0 40 IHAB COc1ccccc1N1CCN(C(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)CC1 7752262 QOEMDYGGWXWJDM-UHFFFAOYSA-N 425.529 3.682 0 40 IHAB COc1ccc(C(=O)N/C(=C\c2ccc3c(c2)OCO3)C(=O)NCc2ccccc2)cc1 8720998 LSCFTZXNPQDHBV-BKUYFWCQSA-N 430.460 3.511 0 40 IHAB CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc(F)cc3Cl)n2N)cc1 8735297 YCKGLNPMARSNSS-NSHDSACASA-N 435.912 3.969 0 40 IHAB CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2cc(OC)c(OC)c(OC)c2)c1 8831470 PESUXBGTIBZZFQ-UHFFFAOYSA-N 445.541 3.968 0 40 IHAB COc1ccc(Nc2nc(N3CCN(c4ccc(F)cc4)CC3)nc3nccnc23)cc1 9074324 IPQQLOUZUYEXIE-UHFFFAOYSA-N 431.475 3.638 0 40 IHAB C[C@H]1CCC[C@@H](C)N1C[C@@H](O)COc1ccc(OC[C@@H](O)CN2[C@H](C)CCC[C@H]2C)cc1 9082770 ODYINPFMZIJYIN-WVYLNQBTSA-N 448.648 3.692 0 40 IHAB O=C(CSc1nnc(-c2ccc(I)cc2)o1)NC1CCCCC1 9200510 OKKUQQPFWCTZRO-UHFFFAOYSA-N 443.310 3.882 0 40 IHAB Cc1ccccc1[C@H]1[C@@H]2C(=O)N(c3ccc(C(=O)O)cc3)C(=O)[C@H]2ON1c1ccccc1 9345670 JRCAJBKWMVHQDJ-FKBYEOEOSA-N 428.444 3.744 0 40 IHAB O=C(COCc1cc(-c2ccc(F)cc2)on1)N1CCN(c2ccc(Cl)cc2)CC1 9436331 XZXICXAYHSIWGE-UHFFFAOYSA-N 429.879 4.000 0 40 IHAB O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1cc(Br)ccc1Cl 9569124 FNHSRJHSFZADCV-UHFFFAOYSA-N 429.723 3.895 0 40 IHAB O=C(CSc1nncn1CC(=O)Nc1cccc(Cl)c1)Nc1cccc(Cl)c1 9730397 ZEHYHRDFNOKQPQ-UHFFFAOYSA-N 436.324 3.954 0 40 IHAB O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)NCc1ccccc1 9845894 NDJFGBYXZITKTE-UHFFFAOYSA-N 428.941 3.847 0 40 IHAB COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)Nc2c(C)cc(C)cc2C)CC1 10323868 OHCSJZONUQMWBN-UHFFFAOYSA-N 434.533 3.799 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CSc2nnc(COc3ccc(C)cc3)o2)cc1 10475570 WQBRGRCTFNDANI-UHFFFAOYSA-N 427.482 3.865 0 40 IHAB CN(Cc1ccccc1N1CCCCC1)C(=O)CNC(=O)c1cccc(Br)c1 10899712 SIHOQJHRFOAXRF-UHFFFAOYSA-N 444.373 3.828 0 40 IHAB COc1cc(OC)cc(C(=O)Nc2ccc(-c3nc(CN4CCOCC4)cs3)cc2)c1 12418258 INMQXHCIXIDVND-UHFFFAOYSA-N 439.537 3.912 0 40 IHAB O=C(Cn1nnc(-c2ccccc2NC(=O)c2ccccc2Cl)n1)NC1CCCCC1 12638875 IGIUGAXKWHYHOD-UHFFFAOYSA-N 438.919 3.695 0 40 IHAB Cc1ccc(C)c([C@@H](C)NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Br)c1 12775452 BNOYBOPAMJKIKG-CQSZACIVSA-N 439.375 3.807 0 40 IHAB COc1ccc([C@H](CNC(=O)c2cccc(CN3CCCC3=O)c2)N2CCCCC2)cc1 12911286 AQXIJHMJPNCONF-DEOSSOPVSA-N 435.568 3.775 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(C(=O)N(C)CCOc2ccc(C)cc2)ccc1Cl 12916759 QHGQXTCMXSWTCG-UHFFFAOYSA-N 438.977 3.830 0 40 IHAB CC(C)Cn1cnc2c1c(=O)n(Cc1c(F)cccc1Cl)c(=O)n2Cc1ccccc1 13130215 KPMJASJCGOAHAR-UHFFFAOYSA-N 440.906 3.905 0 40 IHAB CCOc1ccccc1-c1noc(CN(Cc2c(F)cccc2Cl)S(C)(=O)=O)n1 13625112 NWXPENBRXITEMR-UHFFFAOYSA-N 439.896 3.890 0 40 IHAB O=C(CCn1nc(-c2cccs2)oc1=O)N1CCC[C@H](c2nc3ccccc3s2)C1 14168467 IXKFZIOJBLEZQS-AWEZNQCLSA-N 440.550 3.971 0 40 IHAB CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)CCCOc1ccc(C(C)=O)cc1 14196929 XQRCYBHPWZCFIP-UHFFFAOYSA-N 430.932 3.867 0 40 IHAB Cc1ccc(NC(=O)CN2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1Cl 14328008 WPJSEZJDNXBQLZ-UHFFFAOYSA-N 428.916 3.953 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 15501522 LYTWHOAAEVMXLO-UHFFFAOYSA-N 444.553 3.683 0 40 IHAB CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)c3cc(Br)ccc3F)ccc21 16118478 PUFAWVUYYBAOLS-NSHDSACASA-N 434.261 3.925 0 40 IHAB COc1ccc(CCNC(=O)CSc2nccn3nc(-c4ccccc4)cc23)cc1OC 16959844 YJDQEUVQCSKGQT-UHFFFAOYSA-N 448.548 3.865 0 40 IHAB CCOc1cc([C@@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccccc2)ccc1O 18082915 OSVXOABBDNRLRR-SMIHKQSGSA-N 444.487 3.838 0 40 IHAB Cc1nnc(SCC(=O)N(C)CCOc2ccc(Cl)cc2)n1Cc1ccccc1 18486401 BHMARFYFMLEQKJ-UHFFFAOYSA-N 430.961 3.918 0 40 IHAB CC(=O)Nc1ccc(C(=O)N2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccncc2)cc1 19022343 KAMMZGADMLMPNY-QFIPXVFZSA-N 444.539 3.930 0 40 IHAB Cc1cc2c(cc1C(=O)c1cccs1)N(CC(=O)N[C@@H]1CCCC[C@@H]1C)C(=O)CO2 19124981 DGCWCJSLCSLHDZ-WMLDXEAASA-N 426.538 3.708 0 40 IHAB Cc1ccc2c(c1)cc(C(=O)N1CCC[C@H]1c1nc(O)c3c(n1)CN(C(C)C)CC3)n2C 19221206 BBVDPKRNXYXNIK-NRFANRHFSA-N 433.556 3.726 0 40 IHAB CC(C)NC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)c2ccncc2)C1 19449477 CTEWJRXLKPOGNI-AREMUKBSSA-N 428.536 3.743 0 40 IHAB Cc1cc(Cc2ccccc2Cl)cc([C@@H]2CCCN2S(=O)(=O)c2cn(C)cn2)n1 19691897 FMZOAWLDQKQZPA-FQEVSTJZSA-N 430.961 3.894 0 40 IHAB Cc1nc(C2CCN(C(=O)c3ccccc3)CC2)ncc1C(=O)NCc1ccc(F)cc1 19754175 CVPYSQOTLJSWAE-UHFFFAOYSA-N 432.499 3.874 0 40 IHAB COc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)N(C)C(=O)[C@@H](C)O4)cs2)cc1OC 19796688 PCCPFUJSRUHDHK-GFCCVEGCSA-N 439.493 3.823 0 40 IHAB CCCOc1cc(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)ccc1Br 19909468 ZPYPIUJRUKFZND-UHFFFAOYSA-N 433.412 3.825 0 40 IHAB COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)[C@@H](C)N1CCN(C2CCCCC2)CC1 19948801 RQYJLKUFFIDFFJ-QGZVFWFLSA-N 426.561 3.540 0 40 IHAB Cc1ccc([C@@H](c2nnnn2C[C@H]2CCCO2)N2CCN(c3cccc(C)c3C)CC2)cc1 20140668 DADKYQVHBKPSMQ-NOZRDPDXSA-N 446.599 3.689 0 40 IHAB COc1cc(-c2nnc(S[C@H]3CCc4ccccc4NC3=O)o2)cc(OC)c1OC 20726425 ZMRUEYIWGXRHIB-KRWDZBQOSA-N 427.482 3.808 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccccc2)c2ccccc2F)cc1 22377784 DULQDVCCJOXMKV-QGZVFWFLSA-N 442.512 3.907 0 40 IHAB COc1ccc(NC(=O)CN(c2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1Cl 22387916 LDCKXVWQIGWPPC-UHFFFAOYSA-N 426.922 3.541 0 40 IHAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1 22536800 IFAHIUJHFIRCLO-OALUTQOASA-N 432.586 3.945 0 40 IHAB COc1ccc(Cn2nnnc2[C@@H](CC(C)C)N2CCN(C3CCCCC3)CC2)cc1 22929448 XEONRGPIASBWHQ-HSZRJFAPSA-N 426.609 3.768 0 40 IHAB Cc1ccc(C(C)C)c(OCc2nnc(S[C@@H](C)C(=O)N3CCC(C)CC3)n2N)c1 23328346 KRJXIVFSSOEBCE-KRWDZBQOSA-N 431.606 3.742 0 40 IHAB O=C(CSc1nnc(-c2cccs2)n1C1CC1)N[C@H]1CCN(Cc2ccccc2)C1 27977688 RWQDACRHWPDSOT-KRWDZBQOSA-N 439.610 3.824 0 40 IHAB CCOc1ccc(S(=O)(=O)Nc2cc(C(=O)N(C)C)ccc2Cl)cc1OCC 31776322 HYAHXVIGJHDHFE-UHFFFAOYSA-N 426.922 3.640 0 40 IHAB COc1ccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@H]3N2Cc2ccc(Cl)cc2)cc1 32508587 SQNYYHOQUWRLJC-RTBURBONSA-N 436.986 3.619 0 40 IHAB O=C(Nc1ccc(N2CCOCC2)cc1)c1nn(-c2ccccc2C(F)(F)F)cc1O 32719894 SGDODRLPCGSLLR-UHFFFAOYSA-N 432.402 3.686 0 40 IHAB COc1cccc(CNC(=O)c2sccc2N(C)S(=O)(=O)c2ccc(C)cc2)c1 33141730 JFLCOYZQSKMWSN-UHFFFAOYSA-N 430.551 3.820 0 40 IHAB Cc1ccc([C@@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(c3cc(C)ccc3C)CC2)cc1 35312561 BWHHASODGKERAT-ZCYQVOJMSA-N 446.599 3.689 0 40 IHAB Cc1cc2nc(COc3cccc(NC(=O)COc4cccc(C)c4C)c3)cc(=O)n2o1 35378579 VQNPJDNCQYGLSC-UHFFFAOYSA-N 433.464 3.809 0 40 IHAB Cc1nn(-c2ccc(F)cc2F)c(C)c1CC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 40131814 KJFLQMFKWOCUAK-ZDUSSCGKSA-N 426.423 3.668 0 40 IHAB Cn1cc(C(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)c(-c2cccnc2)n1 48311061 LINMHYVWBHHYFD-IBGZPJMESA-N 427.911 3.842 0 40 IHAB COc1ccc(CN(c2cccc(F)c2)S(=O)(=O)c2ccc3nnc(C)n3c2)cc1F 49408493 USYPGUQYCVLLBK-UHFFFAOYSA-N 444.463 3.720 0 40 IHAB Cc1cccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@@H](O)[C@@H]43)CC2)c1C 49586709 IYVNGAUMUARQSV-DXUQQPRSSA-N 438.612 3.710 0 40 IHAB biogenic COc1ccccc1C(=O)NCCC(=O)N(Cc1cccc(Br)c1)C1CC1 58139636 YYHWPPZDBBLHHX-UHFFFAOYSA-N 431.330 3.769 0 40 IHAB COc1cc(CN(C)C(=O)C(C)(C)n2cc(Br)cn2)ccc1OC(F)F 58232388 VWFRRCUVOWUZAY-UHFFFAOYSA-N 432.265 3.649 0 40 IHAB Nc1nc(CN2CCN(c3cccc(Cl)c3)CC2)nc(Nc2cccc(Cl)c2)n1 59605564 MFNSBBOGCJSDKT-UHFFFAOYSA-N 430.343 3.826 0 40 IHAB CC(=O)Nc1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2CCC(C)C)cc1 67238228 UHMSQDKSMRUZFV-UHFFFAOYSA-N 441.557 3.768 0 40 IHAB CSc1ccc([C@@H]2NC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C3=C2C(=O)OC3)cc1 67288959 REFJMZPMFDBVCN-IBGZPJMESA-N 443.912 3.578 0 40 IHAB COC(=O)[C@H]1Oc2cc(C)oc(=O)c2[C@H]1c1ccc(OCc2ccccc2F)c(OC)c1 85413726 ZXSALKBICOOSPM-IRLDBZIGSA-N 440.423 3.741 0 40 IHAB O=C(CN1CCN(C[C@@H](O)c2ccccc2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 95351582 HAWGVTQFQXRSQX-LJQANCHMSA-N 441.881 3.649 0 40 IHAB Cc1cc(Cl)c2cc(I)n(S(=O)(=O)c3ccccc3)c2n1 95919984 NESIIDSAGVHIFD-UHFFFAOYSA-N 432.670 3.840 0 40 IHAB O=S(=O)(c1ccccc1)C1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc2c(c1)CCCC2 96099599 GKFKNHHXEOGATC-DETIRCLXSA-N 445.606 3.723 0 40 IHAB COc1ccc(-n2ccc(-c3cc(C(=O)N4CC[C@H](N(C)C)C4)c4ccccn34)n2)cc1 96154804 CFEBKOGDCOHRTH-IBGZPJMESA-N 429.524 3.577 0 40 IHAB CC(C)c1ccc(CN2Cc3ccccc3C3(CCN(S(=O)(=O)N(C)C)CC3)C2)cc1 96242515 LTDMIJMZUREJOQ-UHFFFAOYSA-N 441.641 3.966 0 40 IHAB O=C(NC[C@H]1O[C@H](Cc2cc(-c3ccc(F)cc3)on2)CC[C@@H]1O)NC1CCCCC1 96296011 VVORZJWFMMDCHZ-JAXLGGSGSA-N 431.508 3.564 0 40 IHAB biogenic,in-vitro Cc1nn(-c2nc3ccccc3[nH]2)c(O)c1[C@H]1CC(=O)N(c2ccc(C(C)C)cc2)C1=O 100069060 VHQPFTGGFRZGKL-QGZVFWFLSA-N 429.480 3.933 0 40 IHAB Cc1ncc(-c2ccccn2)c([C@H]2CC[C@H](CNC(=O)CN3CCCCCC3=O)CC2)n1 100148368 VICDNIQDCKZZEB-BGYRXZFFSA-N 435.572 3.640 0 40 IHAB COC(=O)[C@H]1[C@H]2NC(=S)N(c3ccccc3)[C@@]1(C)Oc1ccc(Br)cc12 104771160 QKQYDBUGUMVYFH-GJYPPUQNSA-N 433.327 3.783 0 40 IHAB C[C@H](C(=O)NCCc1ccccc1)N(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O 220375280 FROYWZXEGKHUGA-CYBMUJFWSA-N 448.894 3.872 0 40 IHAB CCOC(=O)c1cccc(NC(=O)[C@H](CC)N(c2cc(C)ccc2C)S(C)(=O)=O)c1 220550018 MZKXYKRXDBIHDJ-IBGZPJMESA-N 432.542 3.663 0 40 IHAB CCOc1ccc(N([C@H](CC)C(=O)NCCSC2CCCCC2)S(C)(=O)=O)cc1 220670709 BCICBZGBIVEJFF-HXUWFJFHSA-N 442.647 3.812 0 40 IHAB CC[C@H](C(=O)NCCCc1ccccc1)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 220751615 QNNXEYTXYHQRMM-LJQANCHMSA-N 438.977 3.642 0 40 IHAB CSc1cccc(N(CC(=O)NCc2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1 222703182 SIBILLUFAUQSEA-UHFFFAOYSA-N 432.489 3.510 0 40 IHAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1N1CCCC1=O 222962432 BCGLGMJXTRDIGH-INIZCTEOSA-N 428.554 3.740 0 40 IHAB COc1ccccc1N(CCCC(=O)N[C@@H](C)c1ccc2c(c1)CCC2)S(C)(=O)=O 223238876 LIXMLLATDAZVKS-KRWDZBQOSA-N 430.570 3.608 0 40 IHAB O=C(NCCOc1ccc(Cl)cc1)c1ccccc1NS(=O)(=O)c1ccccc1 223931803 GDVCEMGVCKQVHJ-UHFFFAOYSA-N 430.913 3.950 0 40 IHAB CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN1C(=O)c2cccc3cccc1c23 224115349 YOQKQPDAADJFHY-NRFANRHFSA-N 429.520 3.744 0 40 IHAB CC[C@H](C(=O)NCCOc1ccccc1Cl)N(c1cccc(Cl)c1)S(C)(=O)=O 224300682 XKZKAGBNNZSTQB-QGZVFWFLSA-N 445.368 3.733 0 40 IHAB CCOC(=O)CN(c1ccc(Br)c(Cl)c1)S(=O)(=O)c1ccccc1 224674180 DBPNLEBTFJQUAW-UHFFFAOYSA-N 432.723 3.861 0 40 IHAB CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1F 224908259 VFBBGDXDGRWBRD-OAQYLSRUSA-N 430.520 3.793 0 40 IHAB CCOC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)c(Cl)c1 224958447 KJYUTSHPRMWPJU-UHFFFAOYSA-N 448.324 3.769 0 40 IHAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NC(C)(C)Cc3ccccc3)CC2)cc1 225525772 YWZHYSBEVMSKEC-UHFFFAOYSA-N 428.598 3.674 0 40 IHAB O=C(NCCCc1ccccc1Cl)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 225537401 CDVLSGDAXMLUFD-QGZVFWFLSA-N 438.952 3.629 0 40 IHAB CCCn1c(=O)sc2cc(S(=O)(=O)Nc3ccc(C)c(N4CCCC4=O)c3)ccc21 225733366 UUCQKGCCHKNJAK-UHFFFAOYSA-N 445.566 3.709 0 40 IHAB COc1cccc(C(=O)N2CCC[C@](COc3ccc(Cl)c(C)c3)(CC(N)=O)C2)c1 257220016 DJEWAIVVSPBGQR-QHCPKHFHSA-N 430.932 3.834 0 40 IHAB COc1cccc(N2[C@H]3CCCN(C(=O)c4cccc(OCC(=O)O)c4)[C@H]3CC2(C)C)c1 257311230 UINHXXNISDUOHQ-VXKWHMMOSA-N 438.524 3.821 0 40 IHAB CC(=O)N1[C@@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)Cn1nc(C)cc1C 257330262 XNPWVSDEWULBPO-GAYSTUHSSA-N 448.611 3.892 0 40 IHAB CCCCCNC(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1C 408626176 URWBWCFDBQCZAM-UHFFFAOYSA-N 430.570 3.822 0 40 IHAB CCc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(Br)cc3)CC2=O)cc1 409153314 MRIREDZGSWPOMX-OAHLLOKOSA-N 445.313 3.546 0 40 IHAB CC(C)n1cnc([C@@H]2CN(C(=O)c3cccc(F)c3)C[C@@]23CCCN(CC2CC2)C3=O)c1 585106564 BIWNEEJZKOZMRZ-OFVILXPXSA-N 438.547 3.862 0 40 IHAB COc1cc2c(cc1NC(=O)N1CC[S@@](=O)C[C@@H]1c1cnn(C)c1)oc1ccccc12 1615542077 SEOSJXBPDIPQEB-WTPASJBYSA-N 438.509 3.666 0 40 IHAB O=C(N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)c1csc(NC2CC2)n1 1626934473 IFHYQSDPALIEBC-CYBMUJFWSA-N 425.341 3.950 0 40 IHAB CC(C)(C)c1ccc(OCC2CCN(C(=O)c3cncc(Br)c3)CC2)nn1 1775966173 XEFPGRUVGZUXGY-UHFFFAOYSA-N 433.350 3.863 0 40 IHAB CCOc1ccccc1NC(=O)COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 1942328 WLYSWIDUPGEORI-UHFFFAOYSA-N 444.443 3.681 0 40 IHAB COc1ccc([C@@H]2C[C@@H](c3ccccc3Cl)n3nc(N4C(=O)CCC4=O)nc3N2)cc1 2231770 UPLKQIXODFYQPU-ROUUACIJSA-N 437.887 3.740 0 40 IHAB CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)NCc1ccc(F)cc1 3429906 WIIRKLNGDBZFML-QGZVFWFLSA-N 439.350 3.756 0 40 IHAB CC(C)n1c(SCC(=O)c2ccc3c(c2)NC(=O)CO3)nc2cc(Cl)ccc2c1=O 3508229 XVDFEMGIGXNYRE-UHFFFAOYSA-N 443.912 3.937 0 40 IHAB CC(C)c1ccc(NC(=O)CSc2nc(=O)n(CCCN(C)C)c3c2CCC3)cc1 4851816 HCJSUKADKVSDPO-UHFFFAOYSA-N 428.602 3.538 0 40 IHAB CCc1ccc(NC(=O)Cn2c(=O)n(Cc3ccco3)c(=O)c3oc4ccccc4c32)cc1 8589249 ATEXHWKUWIGGKM-UHFFFAOYSA-N 443.459 3.752 0 40 IHAB O=C(Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCC2)c1cc(=O)c2ccccc2o1 8612258 YJOYBDUAIRQMID-ZDUSSCGKSA-N 438.505 3.504 0 40 IHAB COc1cc(S(=O)(=O)n2cc(C)nc2-c2ccccc2)c(OC)cc1Br 9061862 PTCAXBDJDPHBFI-UHFFFAOYSA-N 437.315 3.875 0 40 IHAB COc1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(F)cc2)cc1OC 9517637 BFYXHKWTKQCUQL-UHFFFAOYSA-N 439.472 3.703 0 40 IHAB O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)Nc1ccc(OC(F)(F)F)cc1 9599804 YLLHGKXCBZIZDI-UHFFFAOYSA-N 446.414 3.816 0 40 IHAB CCCn1c(SCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)nnc1-c1ccncc1 9712287 SSSCRRRTADECIL-HNNXBMFYSA-N 436.541 3.606 0 40 IHAB Cc1noc(C)c1CSc1ncccc1C(=O)NCCc1ccc2c(c1)OCCO2 9766459 XUIUODUKALBNGS-UHFFFAOYSA-N 425.510 3.722 0 40 IHAB CC1=C(C(=O)N2CCOCC2)[C@@H](c2c(F)cccc2F)NC(=S)N1c1ccccc1 9793581 WMXSJDYUEWTVAB-FQEVSTJZSA-N 429.492 3.533 0 40 IHAB O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl)NC1CCCCC1 9851050 KGSIOMRAAMNRCN-UHFFFAOYSA-N 436.961 3.646 0 40 IHAB COc1cc(CNC(=O)c2nn(-c3ccccc3Cl)c(C)cc2=O)ccc1OC(F)F 10441569 MWVZNQXIFCJHQQ-UHFFFAOYSA-N 449.841 3.734 0 40 IHAB CCCCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)Cc3ccccc3C)nnc12 11023184 FNEBKDSESJYMRK-UHFFFAOYSA-N 449.580 3.903 0 40 IHAB O=C1c2ccccc2N[C@@H](c2c[nH]nc2-c2ccc3c(c2)OCCO3)N1CC(F)(F)F 11036309 DJTRPTWZXHPFKZ-LJQANCHMSA-N 430.386 3.977 0 40 IHAB CC1CCN(c2nnc(SCC(=O)N(C)Cc3ccsc3)n2C[C@@H]2CCCO2)CC1 11747726 DFFWSTZTEVOFRL-SFHVURJKSA-N 449.646 3.506 0 40 IHAB CC(=O)c1ccc(NC(=O)CSc2ncnc3c2nnn3-c2cccc(Cl)c2)cc1 11758635 XFIIADSSNCXXPB-UHFFFAOYSA-N 438.900 3.797 0 40 IHAB Cc1nc(-c2ccccn2)sc1C(=O)N1CCC(O)(Cn2ccc3ccncc32)CC1 12222928 WEMYKLVCASPIDI-UHFFFAOYSA-N 433.537 3.531 0 40 IHAB Cc1ccccc1CCN(C(=O)c1csnn1)[C@H](C(=O)NC1CCCC1)c1ccccn1 12872683 LHNWMXQKXPVWQR-QFIPXVFZSA-N 449.580 3.727 0 40 IHAB Cc1cc(Br)ccc1NC(=O)CN(C)[C@@H](C)c1ccc(-n2cncn2)cc1 12873958 WURSGQACBNBUGC-HNNXBMFYSA-N 428.334 3.970 0 40 IHAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)COc1ccc(Br)cc1C(C)=O 12994366 SXRGSUDUCTYLOC-UHFFFAOYSA-N 448.313 3.850 0 40 IHAB Cc1cc(C)cc(NC(=O)Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3sccc32)c1 13533397 UDEBZVXQXJLKCH-UHFFFAOYSA-N 437.496 3.668 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)/C(=C/c3ccco3)c3ccccc3)CC2)cc1 13612110 OXYBNANHSFJSNC-PTGBLXJZSA-N 436.533 3.662 0 40 IHAB CC[C@@H](C(=O)NCCSCc1ccccc1C)N(c1ccc(C)cc1)S(C)(=O)=O 13713508 QQJGDIWNUPSLCK-NRFANRHFSA-N 434.627 3.898 0 40 IHAB CC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1nnc(Cc2cccs2)n1C1CC1 13985849 RRCHYXKUCXFJFF-LJQANCHMSA-N 440.594 3.674 0 40 IHAB O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1cccc(S(=O)(=O)N2CCCC2)c1 14233205 NQUHERQIOHPUJI-UHFFFAOYSA-N 426.538 3.561 0 40 IHAB C[C@@H](OC(=O)c1ccccc1NS(C)(=O)=O)C(=O)Nc1cc(Cl)ccc1Cl 15151094 SINFFPJLLNCYFK-SNVBAGLBSA-N 431.297 3.549 0 40 IHAB COc1ccc(Br)cc1COC(=O)[C@@H](NC(=O)Cc1ccccc1)C(C)C 15337810 YWMRXYYCPSQMIN-FQEVSTJZSA-N 434.330 3.884 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C)c2)c2ccccc2)cc1OC 16349628 XJWHIDVIYHQTBZ-UHFFFAOYSA-N 440.521 3.846 0 40 IHAB CCN1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3OC)cc2Cl)CC1 16681594 OXVBGEIDURAOFQ-UHFFFAOYSA-N 432.977 3.617 0 40 IHAB CC(=O)Nc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4F)C(=O)[C@H]3ON2c2ccccc2)cc1 18157321 IZFKBBWLZQVYJB-ZLNRFVROSA-N 445.450 3.835 0 40 IHAB CCOc1ccccc1C(=O)NCCn1ncc(-c2ccc(F)cc2)c1-c1nccn1C 19520154 FHKUTGQEJXNRCG-UHFFFAOYSA-N 433.487 3.918 0 40 IHAB CCc1cc(C(F)(F)F)n2nc(C3CCN(C(=O)c4snnc4CC)CC3)cc2n1 19522459 UXCFKCYDQKHGEN-UHFFFAOYSA-N 438.479 3.744 0 40 IHAB CN1CCN(c2ncc(-c3ccncc3)c([C@@H]3CCCN(Cc4ccc(F)cc4)C3)n2)CC1 19590123 DEEMJQCZSHRIGI-JOCHJYFZSA-N 446.574 3.809 0 40 IHAB CNC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CCN(C(=O)CCc2ccccc2)C1 19591449 IMFUTSQBRFLDLJ-MHZLTWQESA-N 427.548 3.889 0 40 IHAB CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCN2C(=O)c2ccc(=O)n(C)c2)n1 19690098 RJRVMBXHVBWEAR-LJQANCHMSA-N 437.931 3.539 0 40 IHAB COc1ccc([C@@H](CC(=O)NCc2ccccc2)N(C)S(=O)(=O)c2ccccc2)cc1 19935811 QTIKKOPRSOYNRL-HSZRJFAPSA-N 438.549 3.764 0 40 IHAB C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc2c(c1)CCCC2 20016022 NIDOUJYZCTXDSV-SFHVURJKSA-N 426.582 3.844 0 40 IHAB COc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2ccc(F)cc2)cc1Cl 20068882 ZZGPAPHKRUNMKG-IRXDYDNUSA-N 433.896 3.785 0 40 IHAB COC(=O)c1cccc(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2ccc(F)c(F)c2F)c1 20717140 MZDWBUSPGVBIRB-IBGZPJMESA-N 430.386 3.793 0 40 IHAB CC1CCN(Cc2csc(NC(=O)[C@@H](NC(=O)c3ccccc3F)C(C)C)n2)CC1 22291425 WRYYAQXOJODTSR-IBGZPJMESA-N 432.565 3.907 0 40 IHAB Cc1ccccc1OC[C@@H](C)NC(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 22374371 KMQQOBNMESZBHH-GOSISDBHSA-N 432.586 3.642 0 40 IHAB CCN(CC)[C@@H](CNC(=O)c1ccc2c(c1)nc(C)c(=O)n2CC)c1cccc(OC)c1 22700625 NJTZRLBTIRRTTE-QHCPKHFHSA-N 436.556 3.546 0 40 IHAB Cc1ccc(Cl)c(NC(=O)CN2CCN(Cc3ccc4c(c3)CCO4)CC2)c1Cl 22915515 XLODSOPYSIFTGO-UHFFFAOYSA-N 434.367 3.993 0 40 IHAB O=C(Cc1cc(O)nc(SCc2cccc(Cl)c2)n1)NCc1ccc2c(c1)OCO2 23138220 KLJZXEYOJHNJKL-UHFFFAOYSA-N 443.912 3.716 0 40 IHAB O=C(CCn1cnc2ccc(Br)cc2c1=O)OCc1cc(-c2ccco2)on1 24127710 ZXSHMONCHKYLFC-UHFFFAOYSA-N 444.241 3.541 0 40 IHAB COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CSc1nnnn1C1CCCC1 24992147 IUYZQHQZNAGZMT-UHFFFAOYSA-N 430.317 3.612 0 40 IHAB COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1 25159060 FESCGFDALDTLLC-HXUWFJFHSA-N 429.879 3.633 0 40 IHAB O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)CCc2cnn(-c3ccccc3)c2)CC1 25920642 HWBNXOWFDOCGHM-UHFFFAOYSA-N 445.519 3.698 0 40 IHAB CSc1ccc(S(=O)(=O)NCCc2ccccc2)cc1C(=O)N1CCCCCC1 26119543 ZZBLQCZKHNXMEE-UHFFFAOYSA-N 432.611 3.946 0 40 IHAB CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)Oc2ccc(Cl)cc21 30938780 CIGINAAGDFJQCM-OAHLLOKOSA-N 435.716 3.813 0 40 IHAB O=C(c1cc(Cl)c2c(c1)OCCO2)N1CCC(C(=O)N2CCc3ccccc3C2)CC1 31186907 YJRAKYAUDURXNT-UHFFFAOYSA-N 440.927 3.548 0 40 IHAB COc1cccc(-n2cnc3cc(C(=O)Nc4ccc(NC(C)=O)cc4)ccc3c2=O)c1 32096692 AHIMRKMSSGQKET-UHFFFAOYSA-N 428.448 3.605 0 40 IHAB COc1ccc2[nH]cc([C@@H](C(=O)O)N3CCN(CCOc4ccc(Cl)cc4)CC3)c2c1 32101949 DOLDNWQHFPLZCS-QFIPXVFZSA-N 443.931 3.652 0 40 IHAB Cc1ccc2c(c1)c(O)nc1c(C(=O)NCc3ccc4c(c3)OCO4)sc(=S)n12 33251567 JNBHFRUYESQDOW-UHFFFAOYSA-N 425.491 3.951 0 40 IHAB COc1ccc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3C(C)C)cc1Cl 40283211 TVAWPZDXCSAEHQ-JOCHJYFZSA-N 427.888 3.675 0 40 IHAB CC[C@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2ccc(C)cc2Br)c1=O 44840886 TYSAMIRTOJVJBF-AWEZNQCLSA-N 444.329 3.844 0 40 IHAB CC[C@@H](C)NC(=O)[C@H]1CCCN(c2nc3c(-c4cccc(OC)c4)csc3c(=O)[nH]2)C1 49421326 HGLRQBNUMRZUNV-ZBFHGGJFSA-N 440.569 3.791 0 40 IHAB Cc1noc(C)c1S(=O)(=O)N1CCC2(CC1)C[C@H]2c1nc(-c2cccc(Cl)c2)no1 69652383 NOSOXBLGCFJNIM-INIZCTEOSA-N 448.932 3.953 0 40 IHAB CCCc1noc(-c2ccnc(-n3cnc(C(=O)NCCc4ccc(Cl)cc4)c3)c2)n1 71768468 HPICQBLTEJPBSX-UHFFFAOYSA-N 436.903 3.896 0 40 IHAB Cn1cc(C(=O)NCc2ccc(F)cc2)c(CC2CCN(C(=O)C3CCCCC3)CC2)n1 72352122 CAHZBFLYHWBWRR-UHFFFAOYSA-N 440.563 3.851 0 40 IHAB Cc1nc([C@H]2CCCN2C(=O)CC2(O)CCCCC2)nc2c1CCCN2Cc1ccccn1 72372869 IFJJEQNCWWIFMU-JOCHJYFZSA-N 449.599 3.882 0 40 IHAB C[C@H](NC(=O)CN(Cc1ccccc1)Cc1ccccc1)c1ccc(S(C)(=O)=O)cc1 89904858 CRAIOAJOSMEPBD-FQEVSTJZSA-N 436.577 3.970 0 40 IHAB COc1ccccc1S(=O)(=O)N1CC(Oc2nc3c(C(F)(F)F)cccc3s2)C1 90594388 WURDNICNMNFKTH-UHFFFAOYSA-N 444.456 3.776 0 40 IHAB O=C([C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCC(CSC2=NCCS2)CC1 90608324 QFDQTYAEOXACGZ-OAHLLOKOSA-N 438.018 3.768 0 40 IHAB COc1ccc(S(=O)(=O)C2CCN(C(=O)CCc3ccc(F)c(Cl)c3)CC2)cc1 96376254 LYDZLTMSEKOACF-UHFFFAOYSA-N 439.936 3.885 0 40 IHAB COc1ccc(CCn2c(=O)[nH]c3ccccc3/c2=N\C(=O)Nc2cccc(OC)c2)cc1 101114090 JKGWYUFJOIJKQI-WEMUOSSPSA-N 444.491 3.722 0 40 IHAB Cc1ccc(-c2noc(CN3N=N[C@@H]4C(=O)N(c5cccc(Cl)c5)C(=O)[C@@H]43)n2)cc1C 101277589 VNVKFMKQYAKQTH-ZWKOTPCHSA-N 436.859 3.500 0 40 IHAB O=C(COC(=O)[C@@H]1C[C@@H]1c1ccco1)NCC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 107367769 LWCYXXKUUJQDAI-MXLCDPAISA-N 436.346 3.776 0 40 IHAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1ccccc1C 222492316 NVEVRXOWGCQUMU-HSZRJFAPSA-N 434.511 3.899 0 40 IHAB CCOc1ccc(CCCNC(=O)CCCN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 222574878 FOETXMQQKGEXRI-UHFFFAOYSA-N 446.613 3.997 0 40 IHAB CCOc1ccc([C@@H](C)NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1OCC 224384892 KBXNHCQNSZLXOP-QGZVFWFLSA-N 446.569 3.905 0 40 IHAB CCOC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(OCC)cc1 224583345 SUTRSWGAVVIQER-UHFFFAOYSA-N 442.331 3.606 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCCOc1ccc(F)cc1)c1ccc2ccccc2c1 224688014 ULWSZNQZIKPUJX-UHFFFAOYSA-N 444.528 3.720 0 40 IHAB CCOc1ccc(-c2noc(CNC(=O)c3ccc(Cn4nc(C)cc4C)cc3)n2)cc1 225295231 GKUNFLQVGYDZHD-UHFFFAOYSA-N 431.496 3.927 0 40 IHAB COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 225568359 PFNDQJMXXYRRLA-JOCHJYFZSA-N 430.570 3.997 0 40 IHAB C[C@H](NC(=S)Nc1nc(N2CCOCC2)cc(N2CCC[C@@H](C)C2)n1)c1ccccc1 225959787 WBTZNEHIBAJBGL-MSOLQXFVSA-N 440.617 3.597 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(CC(=O)N3CCOc4ccccc43)cc2)cc1 225982630 BNHRPLMORAKFKQ-UHFFFAOYSA-N 436.533 3.788 0 40 IHAB CCn1cnc2cc(NC(=O)C[C@H]3CCCN(C(=O)c4cn5cc(C)ccc5n4)C3)ccc21 257310124 UDUAIKHZYOHXGV-GOSISDBHSA-N 444.539 3.893 0 40 IHAB CC[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1ccc(OC)c(C)c1 260841270 LGDYPZIPMOCYIC-ROUUACIJSA-N 436.599 3.733 0 40 IHAB O=C(CCC(=O)N1CC[C@@H](c2ccccc2F)S(=O)(=O)CC1)c1ccc(Cl)cc1 390831596 STNQFKAIHSQOBK-FQEVSTJZSA-N 437.920 3.830 0 40 IHAB C[C@H]1CCCC[C@@H]1NC(=O)CSc1n[nH]c(-c2cc(Br)ccc2O)n1 408545524 UDQLLWLYTMWDNN-GWCFXTLKSA-N 425.352 3.727 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)NC(c1ccccc1)c1ccccc1 408583309 HHHLXRZDCXKHGH-GOSISDBHSA-N 438.549 3.576 0 40 IHAB CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1cc(OC)cc(OC)c1 408636631 BJWPBXYYTKECKJ-UHFFFAOYSA-N 428.514 3.722 0 40 IHAB CCc1cccc(CC)c1N1C[C@H](C(=O)Oc2ccc(N3C(=O)CCC3=O)c(C)c2)CC1=O 408650922 BWJFRLKCTGPSDO-LJQANCHMSA-N 448.519 3.732 0 40 IHAB Cc1c(Cl)cccc1NC(=O)COC(=O)CCCCCN1C(=O)c2ccccc2C1=O 408651931 BSZYICZNBUWQOO-UHFFFAOYSA-N 442.899 3.987 0 40 IHAB COC(=O)c1ccccc1N(CN1C(=O)c2ccccc2C1=O)C(=O)/C=C/c1ccccc1 408846124 QRLVEFPAUNNIGZ-FOCLMDBBSA-N 440.455 3.773 0 40 IHAB COc1ccc(NC(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2Cl)cc1Cl 409377371 HSQMAPATOORRBU-UHFFFAOYSA-N 447.340 3.706 0 40 IHAB C[C@H](CC(=O)N(Cc1ccc(O)cc1)Cc1ccco1)S(=O)(=O)c1ccc(F)cc1 502655720 ITYFMTYZFQNENE-MRXNPFEDSA-N 431.485 3.906 0 40 IHAB O=C1Nc2c(c(O)nc(=O)n2Cc2cc(F)cc(F)c2)C1(c1ccccc1)c1ccccc1 585139065 NGMFXFHTDGJWEU-UHFFFAOYSA-N 445.425 3.562 0 40 IHAB NC(=O)[C@H]1CCCN(CCCNC(=O)c2cc(Cl)ccc2Oc2ccc(F)cc2)C1 590315685 BXZHGGXJTIEARJ-HNNXBMFYSA-N 433.911 3.589 0 40 IHAB CCN1CCN(C(=O)c2cncc(O)c2)C[C@@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 618016927 KKYXIHREPHQDAQ-OAQYLSRUSA-N 447.510 3.757 0 40 IHAB COc1ccc(CCNC(=O)N2CCCC3=C[C@@H]4C[C@H](CN5CCCC[C@@H]45)[C@@H]32)cc1OC 1083103371 JXOSLFKXMPFGSP-ILSIFQBBSA-N 439.600 3.851 0 40 IHAB Cc1nc(C)c(-c2ccc(=O)n(CC3CCN(c4ncnc5sccc45)CC3)n2)s1 1888926498 UCFUSYBDOAYIEE-UHFFFAOYSA-N 438.582 3.905 0 40 IHAB CCOc1cc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc(OCC)c1OCC 803530 TUZPZLZHXDYVLT-UHFFFAOYSA-N 427.545 3.887 0 40 IHAB CN(C)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(Br)c1 2410217 FTNXQDJBKPYHEB-SFHVURJKSA-N 427.298 3.662 0 40 IHAB COc1ccc(CC(=O)OCC(=O)Nc2ccc(C(=O)Nc3ccc(OC)cc3)cc2)cc1 2663269 PEKIGQUZFDCHSD-UHFFFAOYSA-N 448.475 3.681 0 40 IHAB CC(=O)N1CCC(N2C[C@@H]3C[C@H](C2)c2c(-c4ccc(Cl)cc4)ccc(=O)n2C3)CC1 4260391 WAVZIYFOZVZUJW-PKOBYXMFSA-N 425.960 3.599 0 40 IHAB biogenic,in-vitro O=C(CN1CCC(n2nnc3ccccc32)CC1)NC(c1ccccc1)c1ccccc1 4968192 VIBDDEYAZURIPZ-UHFFFAOYSA-N 425.536 3.974 0 40 IHAB Cc1cc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)N3CCCCC3)c(=O)[nH]c2cc1C 6321367 LTFVGZLXJPISAK-HSZRJFAPSA-N 446.530 3.894 0 40 IHAB CC(C)c1ccc(CN(C(=O)c2cc3ccccc3oc2=O)[C@H]2CCS(=O)(=O)C2)cc1 8590133 OLWXGJVLBIQIAF-FQEVSTJZSA-N 439.533 3.746 0 40 IHAB CCCCCOc1ccc(NC(=O)[C@@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)cc1 8660789 KOTQDXOXUNHJPR-HZVKZAKPSA-N 435.517 3.591 0 40 IHAB O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)N1CCc2sccc2[C@H]1c1cccs1 8751223 DURSWYPXVHSYCM-IBGZPJMESA-N 441.509 3.940 0 40 IHAB O=C(CSc1nnc(-c2ccccc2)[nH]1)Nc1cccc(I)c1 9031227 XHFTYCLVYCBHCV-UHFFFAOYSA-N 436.278 3.807 0 40 IHAB COc1ccc(CNC(=O)c2cn(C3CC3)c3c(OC)c(F)c(F)cc3c2=O)cc1OC 9048250 PJSWYNDTPGJYQZ-UHFFFAOYSA-N 444.434 3.570 0 40 IHAB C[C@@H](c1nc2ccccc2s1)N(C)CC(=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 9502827 OVNONBJEWCHLPN-FUHWJXTLSA-N 443.594 3.509 0 40 IHAB CCCCn1c(COC(=O)c2ccc(Cl)s2)nc2cc(S(N)(=O)=O)ccc21 9670086 GAILFWDUEQOOJG-UHFFFAOYSA-N 427.935 3.556 0 40 IHAB C[C@@H](OC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)C(=O)NC1CCCCC1 9702646 NRQZUPZPHKVRKS-OAHLLOKOSA-N 426.513 3.610 0 40 IHAB Cc1ccsc1CN(C)C(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 9723332 ZHJRBBVJOPCOAW-UHFFFAOYSA-N 433.533 3.511 0 40 IHAB COc1cc(OC)cc(C(=O)N[C@H](C(=O)N2CCc3[nH]c4ccccc4c3C2)C(C)C)c1 9900564 LPNLFFGDPBSBGB-QHCPKHFHSA-N 435.524 3.524 0 40 IHAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(-c2ccncc2)n1C1CC1 9953044 FUNJOQGYBUMHDQ-CQSZACIVSA-N 434.525 3.531 0 40 IHAB O=C(NC[C@H](c1ccco1)N1CCCC1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 10030602 OHJQYKSUYUVEEP-UYAOXDASSA-N 429.948 3.739 0 40 IHAB Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccccc3Cl)c(=O)n2C)c(C)c1 10104954 RGTOKSHEEXHIAT-UHFFFAOYSA-N 449.942 3.757 0 40 IHAB COc1ccc(S(=O)(=O)NCCCc2ccc(F)cc2)cc1C(=O)N1CCC(C)CC1 10543331 OPHONCKWGWYDHI-UHFFFAOYSA-N 448.560 3.618 0 40 IHAB Cc1oc(-c2ccc3c(c2)OCCO3)cc1C(=O)N[C@@H](Cc1cc2ccccc2[nH]1)C(=O)O 12372394 BMBXLIYGTUVGTH-FQEVSTJZSA-N 446.459 3.933 0 40 IHAB C[C@H](NC(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O)c1ccccc1 12401929 GFOXIDRKLBOEGJ-IBGZPJMESA-N 438.549 3.909 0 40 IHAB COc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1C 12551045 XCVPKRQXYYXWPH-PBHICJAKSA-N 446.525 3.533 0 40 IHAB Cc1nc(SCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)n(C[C@@H]2CCCO2)c1C 12603922 GIWTVJKGITURSE-AWEZNQCLSA-N 425.457 3.731 0 40 IHAB O=S(=O)(Nc1cccc(Cl)c1N1CCOCC1)c1ccccc1Br 12606752 VGKTZOSSNOYRLG-UHFFFAOYSA-N 431.739 3.740 0 40 IHAB COC(=O)CCn1c(S[C@H](C)C(=O)c2ccc(F)c(F)c2)nc2ccccc2c1=O 12763902 IUIJWCOKCHHTEC-GFCCVEGCSA-N 432.448 3.601 0 40 IHAB CCc1nc2ccccc2c(C(=O)Nc2ccc(OC)c(S(=O)(=O)N(C)C)c2)c1C 12801120 LMNKINXENWQYBX-UHFFFAOYSA-N 427.526 3.617 0 40 IHAB CCOC(=O)c1c(NC(=O)COc2ccc(C(=O)CC)cc2)sc(C(=O)OC)c1C 12805020 ILIOCTSADMLTHR-UHFFFAOYSA-N 433.482 3.630 0 40 IHAB CC1=C(C(=O)Nc2ccc(C)cc2)[C@@H](c2ccc(-n3cncn3)cc2)NC(=S)N1C1CC1 12897569 CFXQXNJBCFWWMZ-JOCHJYFZSA-N 444.564 3.882 0 40 IHAB COc1ccc2cc([C@H](C)C(=O)N3CCc4cc(S(=O)(=O)N(C)C)ccc43)ccc2c1 12934851 BNERVIVWZDHUQL-INIZCTEOSA-N 438.549 3.792 0 40 IHAB O=C(CCCCCn1c(=O)[nH]c2ccccc2c1=O)Nc1ccccc1Br 13556355 OLZWZBKLVUXZCZ-UHFFFAOYSA-N 430.302 3.651 0 40 IHAB O=C(COC(=O)C12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2)N1CCC(c2ccccc2)=N1 14013498 HADJRGDWXZRDQK-MBWAJUJLSA-N 445.357 3.900 0 40 IHAB COc1ccc(C(=O)Nc2ccc(F)c(F)c2F)cc1S(=O)(=O)N1CCCCCC1 15003238 FVVKTEHDQMERNM-UHFFFAOYSA-N 442.459 3.930 0 40 IHAB O=C(COc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)N1CC[C@@]2(O)CCCC[C@@H]2C1 15954334 IWUZQZGLZRNHSL-MYYSRTQBSA-N 445.943 3.858 0 40 IHAB biogenic COc1ccc(/C=c2/sc3nc4c(Br)c(C)c(C)cc4n3c2=O)cc1O 16284126 JJGICTLLISUFSX-OVCLIPMQSA-N 431.311 3.550 0 40 IHAB CCOc1ccc([C@@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CCO)cc1OCC 16751301 YPTSKYNPNPKDSW-OAQYLSRUSA-N 437.492 3.745 0 40 IHAB CCn1c(SCc2nnnn2-c2ccccc2)nc2sc3c(c2c1=O)CC[C@H](C)C3 17654805 MPBVACDOSROCEG-ZDUSSCGKSA-N 438.582 3.871 0 40 IHAB Cc1cccc(NC(=O)CN2CCN(C(=O)CCCc3c[nH]c4ccccc34)CC2)c1C 18147954 NVBZOMRFXMPKGY-UHFFFAOYSA-N 432.568 3.890 0 40 IHAB Cc1ccc(-c2cccc(C[C@@]3(C(=O)N(C)C)CCN(C(=O)Cn4cc(C)cn4)C3)c2)cc1 19212566 HGVZXWZGFYANDR-MHZLTWQESA-N 444.579 3.717 0 40 IHAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc(C3CCN(S(=O)(=O)c4cccnc4)CC3)cc2N1 19520833 VSIVTRWBQFHFKR-RHSMWYFYSA-N 443.495 3.544 0 40 IHAB CCN(CC)C(=O)CN1CCC(c2ccc3c(NCc4ccccc4F)n[nH]c3n2)CC1 19744908 LPKBORZFJAKHCZ-UHFFFAOYSA-N 438.551 3.757 0 40 IHAB CCOC(=O)[C@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@@H]1c1ccccc1Cl 19818454 ZHBWZUNVRAOTQU-WOJBJXKFSA-N 441.915 3.842 0 40 IHAB COc1cc(OC)cc(-c2n[nH]c(SCC(=O)Nc3cccc(Br)c3)n2)c1 19928932 XACRBMXGTBZZGF-UHFFFAOYSA-N 449.330 3.982 0 40 IHAB CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 20037664 ZCFGEISPLCMNMZ-MRXNPFEDSA-N 440.525 3.807 0 40 IHAB CCOc1ccccc1CNC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1 20492065 ZGAVJWFLQLHEET-UHFFFAOYSA-N 430.570 3.888 0 40 IHAB Cc1cccc(C(=O)Nc2cccc(C(=O)OCc3cc(=O)n4cc(C)sc4n3)c2)c1 21633451 CWRIOHVPNYERDS-UHFFFAOYSA-N 433.489 3.982 0 40 IHAB CCc1ccc([C@H](c2sc3nc(CC)nn3c2O)N2CCC(C(=O)OC)CC2)cc1 22853643 CZOZWELGKMPWMN-GOSISDBHSA-N 428.558 3.596 0 40 IHAB O=C(COc1ccc(Cl)cc1)N1CCC(c2nc(-c3ccc4c(c3)OCO4)no2)CC1 23325466 CMPRCPGVJNORMI-UHFFFAOYSA-N 441.871 3.904 0 40 IHAB COc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3cccc(C)c3)CC2)cc1Cl 24612274 DCJBRUSRAMXVKK-UHFFFAOYSA-N 436.961 3.838 0 40 IHAB CC1CCN([C@H](CNC(=O)CCCc2nc3ccccc3c(=O)[nH]2)c2cccs2)CC1 27573276 FNZPWQWMGZTIEF-HXUWFJFHSA-N 438.597 3.897 0 40 IHAB CCOCCCn1c(SCC(=O)NCCCc2ccccc2)nc2ccccc2c1=O 28370346 FUCJALSZSNWFOJ-UHFFFAOYSA-N 439.581 3.664 0 40 IHAB CC(=O)c1cccc(N2C(SCc3ccccc3Cl)=N[C@H]3CS(=O)(=O)C[C@H]32)c1 32640485 DLHHQDLIZGNHOJ-RBUKOAKNSA-N 434.970 3.818 0 40 IHAB CCOC(=O)C1=C(CSc2nncn2-c2ccccc2C)NC(=O)N[C@H]1c1ccccc1 32721658 XABMOZFHTMFBAH-FQEVSTJZSA-N 449.536 3.539 0 40 IHAB CCOC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccc(F)c(F)c2)c(Br)c1 32771234 DUZHVJUFYIFUFM-UHFFFAOYSA-N 448.285 3.725 0 40 IHAB CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CCCN1C(=O)c1cccs1 32964244 DOPHQFTWPZPINK-OAHLLOKOSA-N 440.352 3.757 0 40 IHAB COc1ccc(OC)c([C@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@H](C)Nc3ncnn32)c1 36701587 FTMPJZDZMYJWJV-NXXSPTCGSA-N 427.892 3.607 0 40 IHAB CC(C)(C)c1cc(NC(=O)COc2cccc3ccccc23)n([C@@H]2CCS(=O)(=O)C2)n1 40039737 OHHKFIQLGCYRPA-QGZVFWFLSA-N 441.553 3.711 0 40 IHAB COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)cc1 48313671 CHZSCSFCSCXROA-IBGZPJMESA-N 432.542 3.830 0 40 IHAB COC(=O)Cn1c2c(sc1=O)[C@@H](c1ccccc1Cl)CC(=O)N2c1ccccc1 49550168 FRAMHQZMYCGLGZ-OAHLLOKOSA-N 428.897 3.937 0 40 IHAB Nc1nc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)nc(Nc2ccc(F)cc2)n1 54147185 WUGLXSJUKWDFPU-UHFFFAOYSA-N 447.440 3.678 0 40 IHAB CCCCN(CC)C(=O)Cn1c(=O)n(Cc2cccc(Cl)c2)c(=O)c2ccccc21 57472867 MRMFDDQTZGJNIU-UHFFFAOYSA-N 427.932 3.514 0 40 IHAB COc1ccc(C2=NC3(CCCCC3)N(CC(=O)Nc3cc(F)ccc3F)C2=O)cc1 71768959 OIVYPLZXNVTRFM-UHFFFAOYSA-N 427.451 3.904 0 40 IHAB Cc1nn(C)c2c1N(C(=O)OC(C)(C)C)C[C@@H](C)N2C(=O)Cc1cn(C)c2ccccc12 72310520 DIXRSMGISDBLHB-OAHLLOKOSA-N 437.544 3.940 0 40 IHAB Cc1cnc(C(=O)N2CCC3(CC2)C[C@@]2(CO3)Nc3cc(Cl)ccc3-n3cccc32)cn1 72327342 LGWWANVWVOASJL-DEOSSOPVSA-N 449.942 3.945 0 40 IHAB CNC(=O)[C@]1(Cc2ccc(-c3ccc(F)cc3)cc2)CN(C(=O)c2ccccc2)CCO1 72389295 QXRNGGWHPDVPIS-SANMLTNESA-N 432.495 3.693 0 40 IHAB COCc1cccc(NC(=O)[C@H](Cc2c[nH]c3ccc(Br)cc23)NC(C)=O)c1 78878082 JTUMDGYLTUCDMP-FQEVSTJZSA-N 444.329 3.763 0 40 IHAB COc1cc(C(=O)O)cc(NC(=O)c2c(Br)c3ccccc3n2C)c1OC 95424823 UKQFFLIYIZNDFR-UHFFFAOYSA-N 433.258 3.909 0 40 IHAB O=C(NCc1ccc(F)cc1F)c1nc(-c2cn(-c3nccs3)cn2)n2ccccc12 96037970 PWZIZQAFPPWZIN-UHFFFAOYSA-N 436.447 3.852 0 40 IHAB O=C(NCc1cccs1)c1ccc2ccc(N3CCN(Cc4cccnc4)CC3)n2c1 96155947 CXEIQINQKHBDRH-UHFFFAOYSA-N 431.565 3.648 0 40 IHAB COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@H]1C[C@@H]3C(=O)N[C@@H](C)CCc1ccco1)NC2=O 100181794 LGMZHQOUURKDEB-NFDNCFFLSA-N 438.524 3.680 0 40 IHAB COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)c(OC)c1 102728529 JHOANXJVAKMHAI-DNVJHFABSA-N 430.460 3.755 0 40 IHAB CCOC[C@]1(CN)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218229222 BQPFAFUNMDBNGR-HSALFYBXSA-N 438.387 3.679 0 40 IHAB COc1ccc(OC)c(N([C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c1 220217299 FOHKROBTGBLPCO-LLVKDONJSA-N 447.340 3.804 0 40 IHAB CCOc1ccc(CNC(=O)[C@@H](CC)N(c2cccc(C)c2)S(C)(=O)=O)cc1OCC 220514557 AKGOEKFOFCPATH-HXUWFJFHSA-N 448.585 3.653 0 40 IHAB CC[C@@H](NC(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O)c1ccc(OC)c(C)c1 223085157 TZFNWAWDTSJSMT-GOSISDBHSA-N 438.977 3.999 0 40 IHAB CN(C)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 223305379 ATTIFHDHEGHYJY-UHFFFAOYSA-N 440.521 3.533 0 40 IHAB CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(CC)cc1 223504149 NSEBITTZPIIAPA-IBGZPJMESA-N 426.557 3.970 0 40 IHAB Cc1ccc(C)c(OCCNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)c1 224005196 YNKUONJYQPIVDM-UHFFFAOYSA-N 444.597 3.985 0 40 IHAB CC[C@H](C(=O)NCCOc1cc(C)ccc1C)N(c1cccc(Cl)c1)S(C)(=O)=O 224018114 KJLRNMCUPAOSDE-LJQANCHMSA-N 438.977 3.697 0 40 IHAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1OC 224910493 IWZAVUFXTFZIEU-NRFANRHFSA-N 442.556 3.662 0 40 IHAB CCC(=O)N1CCc2cc(S(=O)(=O)Nc3nnc(-c4ccc(Cl)cc4)s3)ccc21 225287660 XDHLZNIVLWEZLI-UHFFFAOYSA-N 448.957 3.958 0 40 IHAB CC(C)n1c(=O)sc2cc(S(=O)(=O)Nc3ccccc3C(=O)N3CCCC3)ccc21 225707445 VVWYLNBDXRIIIX-UHFFFAOYSA-N 445.566 3.681 0 40 IHAB Cc1cc(Nc2ncccc2C)cc([C@H]2CN(C(=O)C3CCN(C(C)C)CC3)CCO2)n1 257239870 HRDUATRNIUQJSE-HSZRJFAPSA-N 437.588 3.857 0 40 IHAB Cc1nc(CC(=O)N2CCO[C@H](c3cc(CCOc4ccccc4Cl)[nH]n3)C2)cs1 257250526 JMXDSLBLIQLBEX-FQEVSTJZSA-N 446.960 3.592 0 40 IHAB O=C(CCNc1ncnc2ccccc12)N1CCC[C@@H]1c1nc(Cc2ccc(F)cc2)n[nH]1 257283543 OYUBMQUQVCINMM-HXUWFJFHSA-N 445.502 3.644 0 40 IHAB Cc1nn(C)cc1S(=O)(=O)N1CCCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 257296899 REXBSXWYZPZJGJ-SFHVURJKSA-N 434.949 3.877 0 40 IHAB CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)N[C@H]1CCCc3ccccc31)O2 260577959 PYOXXQUACPBWOO-UGKGYDQZSA-N 442.581 3.705 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(F)cc2F)C1 408593901 QNCSUUYGFAQFRW-GFCCVEGCSA-N 444.887 3.666 0 40 IHAB Cc1ccc(NC(=O)Cc2nnc(SCC(=O)Nc3ccc(Cl)cc3C)n2C)cc1 409329934 IYJSHRWFQBORCQ-UHFFFAOYSA-N 443.960 3.997 0 40 IHAB CS(=O)(=O)N1CC[C@H](Cc2ccc(Nc3ncc(-c4ccc(F)cc4)s3)nc2)C1 585263002 TTWSUTYOMURUMW-OAHLLOKOSA-N 432.546 3.912 0 40 IHAB O=C1C[C@H](Sc2n[nH]c(Cc3ccccc3)n2)C(=O)N1c1ccc(Br)cc1 618255301 VWRMAKNXVPCLAJ-HNNXBMFYSA-N 443.326 3.582 0 40 IHAB COc1cc(OC)cc(C(=O)N2CCCCN(C)C(=O)c3cc(Cl)ccc3OCC2)c1 643556282 HPWGEVYQHGEQEJ-UHFFFAOYSA-N 446.931 3.744 0 40 IHAB Cc1cc2n(n1)[C@H](C(F)(F)F)CCN2C(=O)c1cccc(NC(=O)CCn2ccnc2)c1 1531966330 OLSOSPCEYSHTSJ-KRWDZBQOSA-N 446.433 3.571 0 40 IHAB COCCC(=O)N[C@]1(C)C[C@H](c2cc(OC)c3c(c2)OCCO3)O[C@@H]2C[C@H](C)CC[C@H]21 2037843714 FRDKBYYWGQDKAC-CIJMNHOMSA-N 433.545 3.644 0 40 IHAB Cc1ccc(C(=O)N2CCC[C@@](COc3ccccc3)(CC(=O)N3CCOCC3)C2)cc1 2037905477 NOZQJAJWYBGEJL-AREMUKBSSA-N 436.552 3.545 0 40 IHAB COc1ccc(CCNC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](C2CC2)N3)cc1OC 793184 IDSHYMHESUXPNC-KSSFIOAISA-N 438.450 3.570 0 40 IHAB CCNC(=S)N(Cc1ccc(Cl)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 920270 HVFPBPHDHBWCOC-UHFFFAOYSA-N 443.956 3.849 0 40 IHAB CCOC(=O)CSc1cc(CS(=O)(=O)c2ccccc2)nc(-c2ccccc2)n1 1383061 WHIZVSTUOILHHT-UHFFFAOYSA-N 428.535 3.773 0 40 IHAB CCOc1ccc([C@H]2[C@H](C(=O)OC(C)(C)C)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OC(C)(C)C)cc1 1410254 WBBRMPQIPUIEHF-PBQROFAYSA-N 448.556 3.809 0 40 IHAB CCc1cccc(C)c1NC(=O)CSc1nnc(-c2cnccn2)n1Cc1ccco1 2263429 UVMQKYPWOLZWQN-UHFFFAOYSA-N 434.525 3.978 0 40 IHAB CCN(CC(=O)NC(C)C)C(=O)COc1ccc2ccccc2c1CN1CCCCC1 6865443 XVEBXCYVWZSSLS-UHFFFAOYSA-N 425.573 3.578 0 40 IHAB CCOc1ccc(NC(=O)c2nc(S(=O)(=O)Cc3ccc(F)cc3)ncc2Cl)cc1 8867539 REBUDKCCCZWOLM-UHFFFAOYSA-N 449.891 3.894 0 40 IHAB COc1cc(CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc(OC)c1OC 8892888 IXIHWVCVQDLYTK-UHFFFAOYSA-N 438.446 3.623 0 40 IHAB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(Cc3ccccc3)o2)cc1 8920222 UIGAPDHEMHSFLF-UHFFFAOYSA-N 448.504 3.738 0 40 IHAB C[C@H](NC(=O)CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1cccc2ccccc12 8944055 LBGMYZVSTIYNET-SFHVURJKSA-N 428.536 3.997 0 40 IHAB O=C(OCC(=O)N1CCCc2ccccc21)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 9128540 ZJONQASNIUWVHG-UHFFFAOYSA-N 440.455 3.623 0 40 IHAB C[C@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)Nc2ccccc2Cl)C1=O 9491508 VCBFOZWRXZLOFG-GOSISDBHSA-N 436.693 3.508 0 40 IHAB c1ccc(Cn2c(SCc3nc(-c4ccsc4)no3)nnc2N2CCOCC2)cc1 9580795 FNDCKMDNJGOGCJ-UHFFFAOYSA-N 440.554 3.567 0 40 IHAB O=C(CCCOC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)c1ccccc1 9634577 DCMMRRRFLMUVFU-UHFFFAOYSA-N 434.469 3.884 0 40 IHAB O=S(=O)(NC[C@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1 9742291 VZVFHQHMQXOHSA-GOSISDBHSA-N 443.518 3.520 0 40 IHAB COc1ccccc1NC(=O)Cc1csc(NS(=O)(=O)c2ccc(Cl)cc2)n1 9828525 XHNFSANDEXEWLB-UHFFFAOYSA-N 437.930 3.787 0 40 IHAB CCOc1ccc(-c2ccc3nnc(SCC(=O)NCCc4ccccc4)n3n2)cc1 9829082 GUCPRQJGYBICBN-UHFFFAOYSA-N 433.537 3.641 0 40 IHAB CCOc1cccc2c1OC1(CCN(C(C)=O)CC1)N1N=C(c3ccc4c(c3)OCO4)C[C@H]21 10214439 VUNIUXFMGVVPIP-HXUWFJFHSA-N 449.507 3.696 0 40 IHAB COc1ccc(-c2nnc(O)c3c2[C@H](c2ccc(C(C)C)cc2)n2nnnc2N3)cc1OC 10297223 QAUOWDDNYBDTRE-NRFANRHFSA-N 445.483 3.671 0 40 IHAB O=C(Cn1cnc2c(oc3ccccc32)c1=O)OCc1ccc(F)cc1Br 10776719 LBZFIKMWXDAHRE-UHFFFAOYSA-N 431.217 3.788 0 40 IHAB CCOc1ncc([C@]2(O)CCC[C@@H]3CN(Cc4cc(F)ccc4F)C[C@@H]32)c(OCC)n1 12233407 KBOFMJAMTWUQHD-BIFSNJIPSA-N 433.499 3.672 0 40 IHAB O=C(Nc1cccnc1)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 12515674 TUKGBQZBZJEPAJ-UHFFFAOYSA-N 447.866 3.793 0 40 IHAB CCN(C(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)[C@@H]1CCS(=O)(=O)C1 12601390 GRHPMNHHAQXBLC-GNISGLHKSA-N 441.578 3.650 0 40 IHAB O=C(Cc1ccc(Cl)cc1Cl)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 12604842 MMYWPWNOYPPFKE-UHFFFAOYSA-N 437.308 3.765 0 40 IHAB COc1ccc([C@H]2Nc3ccccc3C(=O)N2CCCN2CCOCC2)cc1OC(F)F 12609182 SBQNMJOQFYBBTE-NRFANRHFSA-N 447.482 3.585 0 40 IHAB C[C@@H](NC(=O)c1ccc(NC(=O)CSc2nnnn2C)cc1)c1cccc2ccccc12 12688396 DMWFIZKNKPBENR-OAHLLOKOSA-N 446.536 3.585 0 40 IHAB CCOc1ccc(CC(=O)NC[C@H](c2ccco2)S(=O)(=O)c2ccc(OC)cc2)cc1 15781139 HHVMJCALFNLRNY-JOCHJYFZSA-N 443.521 3.561 0 40 IHAB COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1S(=O)(=O)N(C)C 16163222 MYIOOZWCZLLEBD-UHFFFAOYSA-N 436.839 3.870 0 40 IHAB COc1ccc(OC)c(N(CC(=O)c2ccc3c(c2)OCCO3)C2=NCCCS2)c1 16769245 NJMHASGMZDEXQQ-UHFFFAOYSA-N 428.510 3.657 0 40 IHAB Cc1ccc2occ(CN(CCNC(=O)c3cccs3)Cc3ccccn3)c(=O)c2c1 19219781 CUMPOPVKRCMQMR-UHFFFAOYSA-N 433.533 3.990 0 40 IHAB O=C1CC[C@]2(CCCN(C(=O)c3cccc(N4CCCC4=O)c3)[C@@H]2c2cccc(F)c2)N1 19294318 ZZYBNFDBTNCOHV-NOZRDPDXSA-N 435.499 3.579 0 40 IHAB CC(C)(C)c1ccc(C(=O)[C@H]([C@H](c2ccccc2)N2CCOCC2)N2CCOCC2)cc1 19365029 LLWAEHIULOYSDC-DQEYMECFSA-N 436.596 3.941 0 40 IHAB C[C@H](C(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)CCN(C2CCCCC2)C3)C1)c1ccccc1 19459024 DSVBFHRNFXXDHL-ICSRJNTNSA-N 434.584 3.580 0 40 IHAB Cc1nc(C)c(CC(=O)N2CCC(c3nc4cnccn4c3NC(C)(C)C)CC2)s1 19560375 KAUIHCSGJYWNAR-UHFFFAOYSA-N 426.590 3.962 0 40 IHAB O=C1N(CCc2ccccc2)CC=CC[C@]12CN(Cc1c[nH]nc1-c1ccccc1)CCO2 19704402 DJNMVSSXCFIPQW-MHZLTWQESA-N 442.563 3.679 0 40 IHAB Cc1nc([C@@H]2CCCCN2C(=O)c2cnn(C)c2)nc2c1CCCN2CCc1ccccc1 19706212 DXEDPLSVFIGNDX-QHCPKHFHSA-N 444.583 3.881 0 40 IHAB Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)N[C@@H](C)c1ccc(Cl)cc1 20021494 UWPBWFVZEJHOSL-INIZCTEOSA-N 438.977 3.839 0 40 IHAB COC(=O)[C@@H](C)Sc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3 20057744 KDNZPNKEXMKGCL-GFCCVEGCSA-N 444.582 3.609 0 40 IHAB COc1ccc(NC(=O)CN2CC[C@@]3(O)CCCC[C@@H]3[C@@H]2c2ccc3c(c2)OCO3)cc1 20391420 BVNRRQKOVUQHSQ-YNJKOYDBSA-N 438.524 3.731 0 40 IHAB biogenic C[C@H](O)CCC(=O)NCCc1nc2ccccc2n1Cc1ccc(Br)cc1 20869084 MGGFAKDGGPBXAU-HNNXBMFYSA-N 430.346 3.667 0 40 IHAB CCOC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(OCC)cc2)CC1 23174844 MDQDYOZQYURWBQ-OAQYLSRUSA-N 430.932 3.801 0 40 IHAB OCCN1CCN(c2nc(CSc3ccccc3)nc3sc4c(c23)CCC4)CC1 23295993 WLQWWPKKIRBJAB-UHFFFAOYSA-N 426.611 3.587 0 40 IHAB CCN1C[C@H](CN(C)C(=O)c2cc(OC)c(Br)c(OC)c2)Oc2ccccc21 24652857 ALEYEVPXJJQTKF-HNNXBMFYSA-N 449.345 3.826 0 40 IHAB COc1ccc(OC)c([C@H](C)NC(=O)CSc2nc(C)c(C)n2C[C@@H]2CCCO2)c1 27956312 SWBGUNLZVHDFAP-YJBOKZPZSA-N 433.574 3.666 0 40 IHAB COc1ccc(-n2c(SCC(=O)Nc3ccccc3OC)nnc2-n2cccc2)cc1 28534902 VEELKZMTROAZJV-UHFFFAOYSA-N 435.509 3.806 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccc(-n4ccnc4)cc3)cc2)cc1 30871124 KBBASLLXPZWRFA-UHFFFAOYSA-N 446.532 3.912 0 40 IHAB O=C(c1ccc(O)cc1)N1N=C(c2cccc(Br)c2)C[C@@]1(O)C(F)(F)F 32101364 MHUOULSCRWZHOC-MRXNPFEDSA-N 429.192 3.656 0 40 IHAB O=C(CCc1ccc2c(c1)OCCO2)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 32847993 YOUZRLBKFLHVLV-UHFFFAOYSA-N 435.446 3.543 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N[C@H](C)c2ccc(F)c(F)c2)cc1 32862930 UFTOOKVUQNVOQT-CQSZACIVSA-N 425.501 3.556 0 40 IHAB CN(CC(=O)NCc1ccco1)C(=O)c1ccc(SCc2cn3ccccc3n2)cc1 32900253 IKMSBOKJZIUGIA-UHFFFAOYSA-N 434.521 3.608 0 40 IHAB O=C(c1ccccc1CSc1nc2ccccc2[nH]1)N1CCN(c2cnccn2)CC1 32904606 PCFUSJYADLDAPT-UHFFFAOYSA-N 430.537 3.608 0 40 IHAB Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cnn1-c1ccccc1C(F)(F)F 32906238 RVHGUZRCNHFBLI-UHFFFAOYSA-N 438.450 3.892 0 40 IHAB CSc1ncc(C(=O)N2CCC[C@@H](c3nnc4ccccn34)C2)n1-c1ccc(F)cc1 32906599 UCGIAIUVQIIHOU-OAHLLOKOSA-N 436.516 3.796 0 40 IHAB CC(=O)c1c(C)nc(C2CC2)nc1SCC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 32908168 FRASBAJTFQNUEP-LBPRGKRZSA-N 427.526 3.606 0 40 IHAB CCc1ccc(-n2ncc3c(=O)n(Cc4nc(-c5ccc(Cl)cc5)no4)cnc32)cc1 33293098 VQHPPQAWVVYYPI-UHFFFAOYSA-N 432.871 3.896 0 40 IHAB CC(C)[C@@H](NC(=O)CCNC(=O)c1ccc(F)cc1F)c1ccc2c(c1)OCCCO2 40049410 FIYXAAPCHFJYJD-JOCHJYFZSA-N 432.467 3.760 0 40 IHAB CNC(=O)[C@@H]1CN(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)c2ccccc2O1 45470855 AUWWNVAKYXTNKS-QHCPKHFHSA-N 439.531 3.501 0 40 IHAB Cc1noc2nc(-c3ccccc3F)cc(C(=O)N[C@@H](C(=O)N(C)C)c3ccccc3)c12 48290846 PDASKINWRNMEKO-OAQYLSRUSA-N 432.455 3.897 0 40 IHAB CCOc1ccc(NC(=O)Cn2nc3c(Sc4ccc(C)cc4C)nccn3c2=O)cc1 49009033 OBLWMNOWKWECKW-UHFFFAOYSA-N 449.536 3.696 0 40 IHAB COc1ccc(-c2noc(-c3cccn3CC(=O)Nc3ccc4c(c3)OCO4)n2)cc1OC 57487148 RIOZXVMKSAAAEQ-UHFFFAOYSA-N 448.435 3.590 0 40 IHAB CCO[C@H]1C[C@H](NC(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)C12CCCC2 78935361 JPDWODODRVNLSH-HOTGVXAUSA-N 439.482 3.547 0 40 IHAB Cc1cc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccn3)C2)nc(-c2ccc(Cl)cc2)n1 89600649 FVBRFYFVFZYADG-QGZVFWFLSA-N 435.915 3.991 0 40 IHAB COc1ccc(/C=C/C(=O)NCCN2C(=O)S/C(=C/c3ccccc3)C2=O)cc1OC 97985868 MYNKVMWAKBPEJY-KWKPKBFNSA-N 438.505 3.570 0 40 IHAB Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cc(Cl)ccc1Cl)C1=C(O)c3ccccc3C1=N2 100415257 RYHHLDNNRPQMFE-OAHLLOKOSA-N 440.286 3.940 0 40 IHAB CCOC(=O)c1ccc2c(c1)s/c(=N/C(=O)c1ccc(Br)s1)n2C 100878866 IDSKLPKUDHPEDF-FBMGVBCBSA-N 425.329 3.982 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N[C@H](C)[C@H]1C[C@@H]2CC[C@@H]1C2 103012768 BDPRFUKBHXABTC-SOAMZJECSA-N 434.602 3.814 0 40 IHAB Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1C 107079010 JQCWYYPBVAAHAR-OAHLLOKOSA-N 445.313 3.601 0 40 IHAB O=C([C@@H]1CN(Cc2ccccc2)CCO1)N(CC(F)(F)F)[C@H]1CCCc2cccnc21 108165104 ZINAICWIEJTJBY-PMACEKPBSA-N 433.474 3.751 0 40 IHAB O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)NCc1ccccc1 108245159 YKSBRCMPLFHYSH-UHFFFAOYSA-N 430.913 3.836 0 40 IHAB CC[C@H](NC(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O)c1ccc(OC)cc1 113967585 PDMSVVZCLNWAHD-NRFANRHFSA-N 434.558 3.518 0 40 IHAB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cc(C(=O)O)cc(C(=O)O)c2)o1 222804665 MZQVNWFOLYDKKX-OALUTQOASA-N 437.477 3.730 0 40 IHAB CCc1ccc(OCC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC)c(Br)c1 222906130 VZRSZUUXGGYDOS-INIZCTEOSA-N 447.373 3.596 0 40 IHAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2C2CCCC2)N1CCCN1CCOCC1 223178383 VCGFUCVAIFGXML-XZOQPEGZSA-N 439.629 3.693 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCCOc1ccc2ccccc2c1)c1ccc(F)cc1 223609950 QIAKSHYLYWRTSB-UHFFFAOYSA-N 444.528 3.720 0 40 IHAB Cc1ccc(C)c(OCCNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c1 223982302 JOSBUHYYNUIJSG-UHFFFAOYSA-N 438.549 3.694 0 40 IHAB CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCCN1C(=O)c2cccc3cccc1c23 225207222 MRJMJFXQJKIAQO-GOSISDBHSA-N 429.520 3.744 0 40 IHAB CCOC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1C 225478118 GNUREDOKUALLED-UHFFFAOYSA-N 444.553 3.520 0 40 IHAB Cc1ccc(C)c(N([C@@H](C)C(=O)Nc2nnc(-c3ccccc3)s2)S(C)(=O)=O)c1 225868439 BIPNRWVSKRDEGV-HNNXBMFYSA-N 430.555 3.615 0 40 IHAB COc1ccc(N(C)C(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 226000614 OYOAVGVNXIVMIR-UHFFFAOYSA-N 430.570 3.990 0 40 IHAB CC[C@@H]1c2ccc(O)c3c2[C@]24CCN(C)[C@H]1[C@]21C=C[C@@](OC)([C@H](C(C)(C)O)C1)[C@]4(C)O3 253505440 WFNORGSBXRKKDN-ZLSUVQHTSA-N 425.569 3.725 0 40 IHAB biogenic,in-vitro CS(=O)(=O)c1ccc(CN2CCC3(CC2)Oc2c(O)cccc2[C@H]2OCCC[C@@H]23)cc1 257240465 HTPFGZVHCMGTBK-RBBKRZOGSA-N 443.565 3.691 0 40 IHAB CC(C)c1ccc(OCCc2cc([C@@H]3CN(C(=O)c4n[nH]c5c4CCC5)CCO3)n[nH]2)cc1 257241091 HWOHEDVMPJUSAR-QHCPKHFHSA-N 449.555 3.580 0 40 IHAB CCCN1CCN(C(=O)c2cnc(C)cn2)[C@@H](Cc2ccccc2-c2ccc(F)cc2)C1=O 257323672 WLIYWIDCMBGFCT-DEOSSOPVSA-N 446.526 3.897 0 40 IHAB Cc1nc2cc([C@@H]3CCCN3C(=O)c3cccc(F)c3)nn2c(C)c1CCC(=O)NC1CC1 257340692 ZHESPOFPCRVFHK-QFIPXVFZSA-N 449.530 3.674 0 40 IHAB CCOc1ccc(N([C@H](CC)C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)cc1 260912699 BMGGPJCKXYYWIE-GAJHUEQPSA-N 444.597 3.996 0 40 IHAB COc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(C)cc2)cc1 409058417 OLVXTTQVOQUABJ-WSBKAMHLSA-O 448.930 3.673 0 40 IHAB CCc1cccc(C)c1NS(=O)(=O)c1ccc(OC)c(I)c1 409410858 RGTSLZVPRSPKFF-UHFFFAOYSA-N 431.295 3.971 0 40 IHAB Cc1cc(C(=O)O)c(F)c(S(=O)(=O)Nc2ccc(Sc3nncs3)cc2)c1 512747767 VGQRBBUGPGOZEY-UHFFFAOYSA-N 425.488 3.636 0 40 IHAB O=C(NCC(=O)N1CCC[C@@]12CCCN(Cc1cc(F)ccc1F)CC2)c1ccccc1 585100040 CXMCQGWVCYVJCZ-RUZDIDTESA-N 441.522 3.742 0 40 IHAB CC(C)(NC(=O)c1ccc(F)cc1)C(=O)N1CCOC[C@H](Cc2cccc3cccnc23)C1 1848352785 QABQSPOKPLCYSY-GOSISDBHSA-N 449.526 3.600 0 40 IHAB CCOC(=O)c1cnc(SC)nc1Oc1cccc(NS(=O)(=O)c2ccccc2)c1 1394780 AAOCSIJBSWKPFU-UHFFFAOYSA-N 445.522 3.968 0 40 IHAB COc1cc(N)c(Cl)cc1C(=O)OCC(=O)Nc1ccc(Br)cc1F 2632204 ZALUNZLJXZGLMT-UHFFFAOYSA-N 431.645 3.628 0 40 IHAB Cc1cc(=O)oc2cc(OCC(=O)Nc3cc(Cl)ccc3N3CCOCC3)ccc12 2725963 PUYFKCQAEARERV-UHFFFAOYSA-N 428.872 3.609 0 40 IHAB CNC(=O)NC(=O)[C@H](OC(=O)c1cc(-c2ccco2)nc2ccccc12)c1ccccc1 3557777 NKALTQUYRQGFJR-OAQYLSRUSA-N 429.432 3.849 0 40 IHAB O=C(Nc1cccc2ccccc12)N[C@H]1CO[C@@H]2[C@H](OC(=O)Nc3ccccc3)CO[C@H]12 4222812 OHKXERNXEYBUBR-DXBBTUNJSA-N 433.464 3.745 0 40 IHAB biogenic,in-vitro COc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 8748814 FKAZWDLOLMCKNO-INIZCTEOSA-N 434.583 3.989 0 40 IHAB CC1=C(C(=O)N2CCOCC2)[C@H](c2cccs2)NC(=S)N1c1ccc(Cl)cc1 9130945 KLTRKEAVVJSHMQ-SFHVURJKSA-N 433.986 3.970 0 40 IHAB CN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)Cn1cnc2ccccc21 9439183 MLOOMHPCPRCCML-UHFFFAOYSA-N 426.542 3.628 0 40 IHAB CCOc1ccc(CCNC(=O)N2CCN(c3cccc(OC)c3)CC2)cc1OCC 9471175 XJCWGZXEGMMIMO-UHFFFAOYSA-N 427.545 3.567 0 40 IHAB COc1cccc(NC(=O)c2ccccc2NC(=O)c2cccc(CS(C)(=O)=O)c2)c1 9590538 WNRNVRWJWQFHKK-UHFFFAOYSA-N 438.505 3.744 0 40 IHAB COc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1S(=O)(=O)NC1CC1 9645821 FENPMDSGQKMRQY-OAHLLOKOSA-N 428.554 3.506 0 40 IHAB Cc1cc(NC(=O)c2ccc(F)cc2)n(-c2ncnc3c2cnn3-c2ccc(F)cc2)n1 9661201 VXHGHBDODLWEPQ-UHFFFAOYSA-N 431.406 3.840 0 40 IHAB O=C(CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)N1CCC(Cc2ccccc2)CC1 9954149 WOCJHPLJXBOVOJ-UHFFFAOYSA-N 441.535 3.523 0 40 IHAB C[C@@H](NC(=O)CCCCCN1C(=O)c2ccccc2C1=O)c1nc(-c2ccccc2)no1 10537216 UREWNBRIJHWNKL-MRXNPFEDSA-N 432.480 3.770 0 40 IHAB COc1ccc(C(=O)N[C@H](C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)C(C)C)cc1 10544934 LTNYKVHNYZNRRM-AVRDEDQJSA-N 434.540 3.732 0 40 IHAB COc1ccc(C)cc1N1C[C@H](C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)CC1=O 11418697 UCLYQAQATPVLQZ-OAHLLOKOSA-N 441.915 3.775 0 40 IHAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)COC(=O)c1ccccc1Oc1ccccc1 11481192 HMPQEUZOESHBNY-UHFFFAOYSA-N 436.439 3.872 0 40 IHAB COc1cccc(NC(=O)CSc2ccccc2C(=O)OCC(=O)N[C@H](C)C(C)C)c1 11677811 XUKWDJWIRGROTN-MRXNPFEDSA-N 444.553 3.744 0 40 IHAB COc1cccc(CC(=O)NCCn2ncc(-c3cc(C)no3)c2-c2ccc(C)nc2)c1 12223179 OVSVCHRTICEYQN-UHFFFAOYSA-N 431.496 3.584 0 40 IHAB COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCCc2nc3ccccc3[nH]2)cc1 12420224 MSPAZMLQELKTSW-QJOMJCCJSA-N 440.503 3.701 0 40 IHAB COc1ccccc1C(=O)Nc1c(C(=O)N2CCOCC2)sc2nc(C)cc(C)c12 12555073 UGSZBWYMAIWETN-UHFFFAOYSA-N 425.510 3.646 0 40 IHAB CC(=O)NCCCc1ccc(C(=O)COC(=O)CCCOc2ccc(C(C)=O)cc2)cc1 12684232 WFDXEWCQEGYVSE-UHFFFAOYSA-N 439.508 3.543 0 40 IHAB Cc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)c(F)c1 12781345 NHAXAYNQYMXLLP-HNNXBMFYSA-N 442.516 3.677 0 40 IHAB COc1cc(OC)c(NC(=O)CN2CCC(C(=O)Nc3ccccc3)CC2)cc1Cl 12882518 JQFIFJWXTWIEOZ-UHFFFAOYSA-N 431.920 3.646 0 40 IHAB Cc1ccc(NC(=O)CN(C)C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 12946182 OPVBMFZVGWLGNS-UHFFFAOYSA-N 434.462 3.722 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCCc1ccccc1C 13163836 VQXCWVMKDPVCHI-UHFFFAOYSA-N 430.570 3.541 0 40 IHAB C[C@H](O)CN(C[C@H](C)O)c1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCC3 13778697 MAQSNTSHXVZYDY-GJZGRUSLSA-N 434.565 3.963 0 40 IHAB Cc1c(/C=C2\SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)c2ccccc2n1C 13858349 XQGRXDCOLAMDRJ-JMIUGGIZSA-N 449.488 3.890 0 40 IHAB aggregator CCCc1ccc([C@@]2(C)NC(=O)N(CC(=O)c3ccc(NC(=O)C(C)C)cc3)C2=O)cc1 14109462 QGPTUCOSFCQTAE-RUZDIDTESA-N 435.524 3.884 0 40 IHAB CCOc1cccc(C(=O)NC(=S)Nc2ccc(I)cc2F)c1 14271030 YLBYBKOHYUFBHW-UHFFFAOYSA-N 444.269 3.956 0 40 IHAB Cc1nc(/C=C/C(=O)N2CCN(S(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)CC2)cs1 14419636 RUVWBYRBASQGOI-BQYQJAHWSA-N 447.626 3.540 0 40 IHAB O=C(c1ccc(Cl)cc1)N1CCC(C(=O)N2CCN(c3ccccc3F)CC2)CC1 15433638 MXCLQWDNKHSMHM-UHFFFAOYSA-N 429.923 3.680 0 40 IHAB CCN1c2ccccc2-c2nc(SCC(=O)Nc3ccccc3F)ncc2S1(=O)=O 15731758 DBBYEQPBSZJYPO-UHFFFAOYSA-N 444.513 3.542 0 40 IHAB COc1ccccc1NC(=O)Nc1nc(CC(=O)Nc2ccc(NC(C)=O)cc2)cs1 15880772 BPFRJDZUDSISBE-UHFFFAOYSA-N 439.497 3.935 0 40 IHAB COc1ccccc1-c1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)n1-n1cccc1 15881963 HDYFTHDJBNXAAB-UHFFFAOYSA-N 449.492 3.526 0 40 IHAB CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 15998958 ACYAAMZDIOLPGK-IYWMVGAKSA-N 437.293 3.554 0 40 IHAB C[C@@H](CCc1ccccc1)NC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1 16576348 QOPTWHCZRYHRMU-IBGZPJMESA-N 444.597 3.814 0 40 IHAB CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1OC 16681829 BKHRZRAGDZPOAX-UHFFFAOYSA-N 436.839 3.918 0 40 IHAB O=S(=O)(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1)c1cccc(F)c1 17191262 VUCUNLRIZCUHPF-UHFFFAOYSA-N 446.525 3.768 0 40 IHAB Cc1ccc([C@H](C)C(=O)N2CCC(O)(Cn3cnc4sc(C)c(C)c4c3=O)CC2)cc1 19135761 TVVOBKIBXGLJQT-KRWDZBQOSA-N 439.581 3.540 0 40 IHAB CNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)COc2ccccc2)C1 19591122 NYANMPJGRXLOKG-HHHXNRCGSA-N 443.547 3.725 0 40 IHAB CNc1nc([C@H]2CCCN2C(=O)C2(c3ccc(F)cc3)CCCC2)nc2c1CCN(C)C2 19707397 FMVHRLKCSYHJDU-OAQYLSRUSA-N 437.563 3.821 0 40 IHAB CCc1cc(C(=O)N2CCC(Cc3ncncc3C(=O)Nc3ccc(F)cc3)CC2)on1 19757059 WQBRGMAUTJQDBO-UHFFFAOYSA-N 437.475 3.513 0 40 IHAB O=C(NCc1ccc(Cl)cc1)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 19860213 NMYJOHITDSTOSG-QGZVFWFLSA-N 441.380 3.852 0 40 IHAB C[C@@H](OC(=O)CCNC(=O)CCC(=O)c1cccs1)c1nnc(-c2ccccc2)o1 21732024 HMUFIDFIHHFEKG-CQSZACIVSA-N 427.482 3.572 0 40 IHAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1Cl 22539400 OQELIWVLYDFNKS-CVEARBPZSA-N 438.977 3.818 0 40 IHAB Cc1cc(C)n(CCCNC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)n1 24177893 RGXKWPMLXORDOW-UHFFFAOYSA-N 443.901 3.990 0 40 IHAB COc1ccc(CCNC(=O)c2ccccc2NC(=O)CCc2ccc3c(c2)OCO3)cc1 24992076 PMFPNTOSXCUBKK-UHFFFAOYSA-N 446.503 3.968 0 40 IHAB O=C(COc1cccc(Oc2ccccn2)c1)Nc1cccc(-c2nnnn2C2CC2)c1 25597740 IEUVAFYPTOVWSO-UHFFFAOYSA-N 428.452 3.880 0 40 IHAB O=C(CSc1nc2ccsc2c(=O)n1-c1ccccc1)Nc1ccc2c(c1)OCO2 26089811 WFSVCIZZRVOQPV-UHFFFAOYSA-N 437.502 3.907 0 40 IHAB O=C(c1ccccc1Cl)N(Cc1ccc(Br)o1)[C@H]1CCS(=O)(=O)C1 27662883 HZUVHBLSMNJWEM-NSHDSACASA-N 432.723 3.525 0 40 IHAB COCCNC(=O)CSc1ccccc1C(=O)Nc1ccc(-c2nccs2)cc1 32983575 FXGWJUSYHUCSNN-UHFFFAOYSA-N 427.551 3.917 0 40 IHAB CSc1ncc(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)n1-c1ccc(F)cc1 32999970 VWIGYERLQFWQSY-KRWDZBQOSA-N 446.573 3.598 0 40 IHAB Cc1ccc(N2C(=O)/C(=C\NN3C(=O)c4ccccc4C3=O)c3ccccc3C2=O)cc1C 33014609 VMSWOIREWONWRY-HMAPJEAMSA-N 437.455 3.632 0 40 IHAB COc1cccc(-n2c(SCC(=O)Nc3nc(C)cs3)nnc2-c2cccnc2)c1 35289150 HISIYXXFLRRLCW-UHFFFAOYSA-N 438.538 3.834 0 40 IHAB C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)OCC(=O)N[C@@H]2CCCC[C@H]2C)cc1 36040211 OLQMBSNWSZNTKR-NXWNEQKCSA-N 444.572 3.707 0 40 IHAB CCCc1nnsc1C(=O)N1CCN(c2nc3c(OC)ccc(Cl)c3s2)CC1 36709524 VEXAXVHHECZRST-UHFFFAOYSA-N 437.978 3.725 0 40 IHAB O=C(CCN1CCN(C(=O)c2ccccc2)CC1)Nc1ccccc1C(=O)c1ccccc1 40025008 PKUFXQPWEUFDLE-UHFFFAOYSA-N 441.531 3.704 0 40 IHAB NC(=O)c1ccc(NC(=O)[C@@H]2CCCN(c3ncccc3C(F)(F)F)C2)cc1Cl 40133425 WHAZWIXZHYRVDL-LLVKDONJSA-N 426.826 3.708 0 40 IHAB NC(=O)Cc1ccc(NC(=O)c2ccc(Oc3ccc(Br)cc3)nc2)cc1 48356617 CEYFHOFZYXKFGH-UHFFFAOYSA-N 426.270 3.917 0 40 IHAB Cc1ccc(NC(=O)Cn2c(=O)n(-c3cc(F)cc(F)c3)c(=O)c3sccc32)cc1F 57429046 HKWPRYSXNSBCLT-UHFFFAOYSA-N 445.422 3.578 0 40 IHAB CN(C)[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1cccs1 69352405 HPLOVMKAUMESAU-CJNGLKHVSA-N 425.476 3.539 0 40 IHAB Cc1cc(-c2cc(=O)n(CC(=O)N[C@@H]3CCCC[C@H]3C)nc2-c2ccc(C)s2)on1 72337633 GRMIRHOCFACTRF-CXAGYDPISA-N 426.542 3.939 0 40 IHAB CCOc1ccc(O[C@@H](C)C(=O)N2CCC[C@@H](c3cc(C(F)F)n4ncnc4n3)C2)cc1 72395365 DHUQPPNPKSDUIK-LSDHHAIUSA-N 445.470 3.634 0 40 IHAB Cc1ccc2c(c1)C(=O)N(CCC(=O)NCCCCc1nc(-c3cccnc3)cs1)C2=O 78752105 JJWFGONQHLJJFI-UHFFFAOYSA-N 448.548 3.639 0 40 IHAB O=C(NCc1cc(-c2ccccc2)on1)[C@@H]1CCN(c2cccc(Br)c2)C1=O 89851118 ZRKLIOGQWDLEFC-SFHVURJKSA-N 440.297 3.773 0 40 IHAB C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 96533565 GHCZAUBVMUEKKP-JNDYGFSNSA-N 449.632 3.594 0 40 IHAB COc1ccc(CC(=O)NC2CCN(c3cc(-c4ccc(F)cc4)n[nH]3)CC2)cc1OC 98212906 JMHMPDNFMMXUDO-UHFFFAOYSA-N 438.503 3.561 0 40 IHAB COC(=O)c1cc(=O)n(CCc2ccc(OC)cc2)/c(=N/c2ccc(F)c(Cl)c2)s1 100163625 HDSXGXFYQQEYDT-FLFQWRMESA-N 448.903 3.973 0 40 IHAB CC(=O)N1CCc2nc3cc([C@H]4CCCCN4C[C@@H](C)c4ccccc4)nn3c(O)c2C1 100243121 HSVQOCLFQBBCCN-UZUQRXQVSA-N 433.556 3.670 0 40 IHAB CCOC(=O)c1ccc(N2C(=O)/C(=C\Nc3nnc(CC)s3)c3ccccc3C2=O)cc1 101746760 KEISIFLORHJKPH-AQTBWJFISA-N 448.504 3.917 0 40 IHAB CC[C@@H](Oc1ccccc1F)C(=O)N(C)Cc1nc(-c2ccc(OC)cc2OC)no1 219585135 QTZRUIYNHRSVNI-QGZVFWFLSA-N 429.448 3.709 0 40 IHAB COc1ccc(CCCNC(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)cc1 222535748 SLONJZKVBKHTJM-UHFFFAOYSA-N 438.549 3.883 0 40 IHAB CCOc1ccccc1N(CCCC(=O)NCCCc1ccc(F)cc1)S(C)(=O)=O 222614150 NNVBMKIMLWQKAD-UHFFFAOYSA-N 436.549 3.520 0 40 IHAB CC[C@@H](NS(=O)(=O)c1nnc(NC(=O)c2ccccc2C)s1)c1ccc(OC)cc1 222640236 NVVYBJODCLXFGN-QGZVFWFLSA-N 446.554 3.537 0 40 IHAB COc1ccccc1CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1 222775735 PFOGQNAGWDHLBP-HXUWFJFHSA-N 432.520 3.808 0 40 IHAB Cc1cccc(N(CC(=O)NCCc2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1C 223799042 DNEMDVGCJNIEBG-UHFFFAOYSA-N 440.540 3.997 0 40 IHAB COc1ccc(CN(C)C(=O)CCCN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1OC 224117246 PHNJDHNHPSIIIY-UHFFFAOYSA-N 448.585 3.525 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(F)c(F)c2)c(Cl)c1Cl 224628119 YQCSPSMMGQUOFT-UHFFFAOYSA-N 426.224 3.560 0 40 IHAB CCc1cccc(C)c1N(CCCC(=O)NCCOc1ccc(C)c(C)c1)S(C)(=O)=O 224843820 OXGUUWIGDGJMEM-UHFFFAOYSA-N 446.613 3.916 0 40 IHAB CCc1ccc(CC)c(CNC(=O)C2CCN(S(=O)(=O)Cc3cccc(C)c3)CC2)c1 225422996 XTMTXPVQUZZUOQ-UHFFFAOYSA-N 442.625 3.978 0 40 IHAB CC[C@@H](C(=O)NCc1cccc(C(F)(F)F)c1)N(c1cccc(OC)c1)S(C)(=O)=O 225861222 WYQFPKOOIRZSGD-SFHVURJKSA-N 444.475 3.575 0 40 IHAB O=C(c1ccccc1CN1CCCCC1)N1CCOC[C@@H](Cc2cccc3[nH]ncc23)C1 257220272 DKFUOINPUSNCTP-FQEVSTJZSA-N 432.568 3.880 0 40 IHAB C[C@H]1CCC[C@@H](C)N1C(=O)c1c[nH]nc1C1CCN(C(=O)Cc2cccc(F)c2)CC1 257227443 FPHWNUNTAYKBES-CALCHBBNSA-N 426.536 3.901 0 40 IHAB CCc1nccn1-c1cccc([C@@H]2CCCN2C(=O)Cn2c(COC)nc3ccccc32)n1 257338742 YYUHVBMSDIZWLM-FQEVSTJZSA-N 444.539 3.690 0 40 IHAB Cc1occc1C(=O)N1CCN(CC2CC2)[C@@H](c2cn3c(N4CCCC4)cccc3n2)C1 306128392 GZEBAEUKBIKTOO-JOCHJYFZSA-N 433.556 3.745 0 40 IHAB Cn1nccc1[C@@H]1CN(C(=O)c2ccc(F)cc2)C[C@]12CCCN(Cc1ccccc1)C2=O 306128543 HDFKDRALBYJSRB-BKMJKUGQSA-N 446.526 3.608 0 40 IHAB O=C1N(Cc2ccncc2)CCO[C@@]12CN(Cc1cccc(Cl)c1)C[C@H]2c1cccnc1 306144108 YWGVFYYMHKYUED-UKILVPOCSA-N 448.954 3.527 0 40 IHAB C[C@H](NC(=O)CSc1n[nH]c(-c2cc(Br)ccc2O)n1)c1ccccc1 408544289 VBEVAYBSDGPWSW-NSHDSACASA-N 433.331 3.909 0 40 IHAB CS(=O)(=O)N(CC(=O)NC12CC3CC(CC(C3)C1)C2)c1cccc(Cl)c1Cl 408616693 BGPBYMCOVUJDPA-UHFFFAOYSA-N 431.385 3.844 0 40 IHAB C[C@H](NC(=O)COC(=O)c1ccc(N2C(=O)[C@H]3CC[C@@H](C)C[C@H]3C2=O)cc1)c1ccccc1 408658222 IHTNKABJYUNEFX-XKPGHWPRSA-N 448.519 3.646 0 40 IHAB Cn1c(SCC(O)CSc2nnc(-c3ccccc3)n2C)nnc1-c1ccccc1 408723838 TVVDNIFDVJHNAT-UHFFFAOYSA-N 438.582 3.523 0 40 IHAB Cc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(F)cc3)[C@H]2c2ccc(Cl)cc2)cc1 409071917 QKRNPVOHBVULID-NGTVUAHZSA-O 436.894 3.804 0 40 IHAB CCOC(=O)CN1C(=O)S/C(=C/c2cccc(Oc3nc(Cl)ncc3F)c2)C1=O 409153111 KWQZKHDREDAMKM-NTUHNPAUSA-N 437.836 3.661 0 40 IHAB Cc1cc(N2C(=O)[C@H]3C4c5ccccc5C(Br)(c5ccccc54)[C@H]3C2=O)no1 409206837 QJVWBPBESYRRIA-LECRGTDLSA-N 435.277 3.886 0 40 IHAB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(N3CCCCCC3)o2)C1=O 409223506 ZTTMFFMHOOODPJ-HMMYKYKNSA-N 436.512 3.754 0 40 IHAB Cc1cc(C)c(S(=O)(=O)N(CC(=O)NCCCOC(C)C)Cc2ccccc2)c(C)c1 409327284 RXLAVWOXFKBKHC-UHFFFAOYSA-N 446.613 3.734 0 40 IHAB CC(C)CC(=O)N1CCC2(CCCCOCCN(C)C(=O)c3ccccc3OC2)CC1 643579524 DSEIDJPDWKZVND-UHFFFAOYSA-N 430.589 3.993 0 40 IHAB COc1ccc([C@@H](CC(=O)N[C@@H](C)c2nc3ccccc3[nH]2)c2oc(C)cc(=O)c2O)cc1 1547139583 UMCISKIVYWCIEU-MAUKXSAKSA-N 447.491 3.938 0 40 IHAB biogenic CN(CC(=O)Nc1ccc(-c2ccccc2)cc1)CC(=O)Nc1ccc2c(c1)OCCO2 1644053656 ORARTFBGWYHSLG-UHFFFAOYSA-N 431.492 3.634 0 40 IHAB O=C(CSc1nnc2c3c4c(sc3ncn12)CCCC4)c1ccc2c(c1)OCCO2 928386 OHZVHFMUUFYXQH-UHFFFAOYSA-N 438.534 3.964 0 40 IHAB Cc1nc2sc3c(c2c2nnc(SCC(=O)NCCc4ccccc4)n12)CCCC3 1372289 LTLPUQZKYAEHPB-UHFFFAOYSA-N 437.594 3.977 0 40 IHAB COC(=O)[C@@H](Cc1ccc(OC(=O)c2ccc(C)cc2)cc1)N1Cc2ccccc2C1=O 1383740 KZDMFKHCOHVCEM-HSZRJFAPSA-N 429.472 3.954 0 40 IHAB CCCOC(=O)[C@H](C)n1cnc2sc(C(=O)Nc3ccccc3OC)c(C)c2c1=O 1911931 PGHVHXBZWSGOAE-ZDUSSCGKSA-N 429.498 3.542 0 40 IHAB CCN(CC)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(C(=O)OC)cc1 2413946 DXIZLNWLGWAYDJ-QFIPXVFZSA-N 448.519 3.857 0 40 IHAB CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCN(C)C)cc1OCC 2431284 KGIWAVQQZHESFF-QFIPXVFZSA-N 436.508 3.697 0 40 IHAB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C(C)=O)cc2)cc1 2640785 AFESBZKXFLDMLH-UHFFFAOYSA-N 438.505 3.975 0 40 IHAB NC(=O)c1c(NC(=O)c2cc3nc(C4CC4)cc(C(F)F)n3n2)sc2c1CCCC2 2779080 YSPMSXLVWVBNLM-UHFFFAOYSA-N 431.468 3.836 0 40 IHAB O=C(COC(=O)c1cccc(I)c1)Nc1ccc(F)c(Cl)c1 3239170 NULQJNGYAIOZSD-UHFFFAOYSA-N 433.604 3.879 0 40 IHAB Cc1ccc(C)c(C(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5C=C[C@H](C5)[C@H]4C3=O)c2)c1 4178418 GAEPJJNTDQBPND-XFDIAKHOSA-N 429.472 3.655 0 40 IHAB CCCCn1c(SCC(=O)Nc2ccc(C(=O)OC)cc2)nc2ccccc2c1=O 6481659 KLULPOHKOHCMLK-UHFFFAOYSA-N 425.510 3.714 0 40 IHAB Cc1ccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(Cc3cccc(Cl)c3)c(=O)n2C)cc1 8587307 IAOFQMCTXHTOHL-MRXNPFEDSA-N 449.942 3.695 0 40 IHAB C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O)c1ccc(-c2ccccc2)cc1 8634694 CFYFEYGDHLUKDW-WXTAPIANSA-N 427.504 3.998 0 40 IHAB S=C(NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCN(c2ccccc2)CC1)Nc1ccccc1 8636251 NKVLLRLNVKYSDF-WRALFONMSA-N 449.668 3.506 0 40 IHAB biogenic,in-vitro CCOc1ccc(NC(=O)[C@H]2Sc3nnc(CC)n3N[C@@H]2c2ccc(OC)cc2)cc1 9197369 LKMNOGZVNQNSMB-UXHICEINSA-N 439.541 3.646 0 40 IHAB Cc1cc(C)cc(NC(=O)CSc2nnc(NC(=O)COc3ccccc3)s2)c1 9365310 YWIHVTQZTWAXLO-UHFFFAOYSA-N 428.539 3.903 0 40 IHAB CC(C)Cn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nc2ccccc2c1=O 9390416 NZYBOTFUHFWFAV-UHFFFAOYSA-N 425.510 3.555 0 40 IHAB COC(=O)c1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(Br)cc2)cc1 9403470 UGBKUVYFCWEIKY-KRWDZBQOSA-N 444.285 3.502 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2nc(N)n(-c3nc(-c4ccc(Cl)cc4)cs3)n2)cc1 9421770 SRTANULMBGTSHL-UHFFFAOYSA-N 446.945 3.736 0 40 IHAB CC(C)n1c(SCC(=O)Nc2sccc2C(N)=O)nc2cc(Cl)ccc2c1=O 9583320 GNUYESDBRDGIRW-UHFFFAOYSA-N 436.946 3.522 0 40 IHAB COc1ccc(OC)c(NC(=O)CSc2nnc(NC(=O)C3CCCCC3)s2)c1 9599858 DITWZLGGKMQCBQ-UHFFFAOYSA-N 436.559 3.805 0 40 IHAB CS(=O)(=O)c1ccccc1-c1nnc(NC(=O)C(c2ccccc2)c2ccccc2)o1 9707611 SCKOPXQRNROXAZ-UHFFFAOYSA-N 433.489 3.911 0 40 IHAB COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2Cc2ccco2)cc1 9933957 FIJJXQWHYGZFBO-NRFANRHFSA-N 433.464 3.963 0 40 IHAB COc1cc(NC(=O)CSc2nccn(-c3ccc(C)c(C)c3)c2=O)cc(OC)c1 10273704 MAVXIGHCSJFIHK-UHFFFAOYSA-N 425.510 3.597 0 40 IHAB C[C@@H](C(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F)N(C)Cc1cccc(F)c1 11202103 KLBYZTLEUWIKIQ-AWEZNQCLSA-N 425.426 3.762 0 40 IHAB Cc1c(O[C@@H](C)C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)ccc2c3c(c(=O)oc12)CCCC3 11866950 CUWCCCONWHQQCC-DFXHWTJYSA-N 439.552 3.901 0 40 IHAB O=C(Cn1c(=O)n(-c2ccc(F)cc2)c(=O)c2oc3ccccc3c21)Nc1cccc(F)c1 12140764 NNZAVAQMJBSTLB-UHFFFAOYSA-N 447.397 3.816 0 40 IHAB Cc1ccc(O[C@@H](C)C(=O)N2CCC[C@@H](c3nc4ccc(F)cc4cc3C(N)=O)C2)cc1 12256205 GYTXKVIDAIEGRE-DLBZAZTESA-N 435.499 3.955 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NC[C@H](c3ccco3)N(C)C)cc2)c1 12605000 WUOKJVXNSLTTLW-HXUWFJFHSA-N 441.553 3.730 0 40 IHAB COc1ccc([C@H](CNC(=O)CCC(=O)c2cc(C)sc2C)N2CCOCC2)cc1 12686612 KJNKOPYFXGONSV-NRFANRHFSA-N 430.570 3.526 0 40 IHAB O=S(=O)(c1ccc(Br)s1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 12693504 WSAPGMPEBCEXSW-LBPRGKRZSA-N 430.345 3.808 0 40 IHAB Cc1cc(S(N)(=O)=O)cc(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)c1C 12768393 UQPDHNKJBKMEIR-UHFFFAOYSA-N 433.917 3.831 0 40 IHAB COc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc(NC(C)=O)cc3)o2)c(OC)c1 12856823 YEMPLFIKKLNZGH-GFCCVEGCSA-N 442.497 3.832 0 40 IHAB COc1ccc([C@@H]2CN3C(=O)CN(CC(C)C)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 12880671 QHAKCBXNRUCPEX-FNZWTVRRSA-N 431.536 3.864 0 40 IHAB biogenic COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN(C)CC(=O)Nc1ccc(C)cc1 12938069 HWTCSWPEBXVJNJ-UHFFFAOYSA-N 438.311 3.597 0 40 IHAB O=C(O[C@H](C(=O)N1CCOCC1)c1ccccc1)c1c2c(nc3ccccc13)CCCC2 12981775 YQABTNVFGWEFIX-DEOSSOPVSA-N 430.504 3.871 0 40 IHAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccccc1SCC(=O)N1CCCC1 13023639 IMDZPHVWUMTUHV-UHFFFAOYSA-N 439.581 3.729 0 40 IHAB COc1cccc([C@@]2(C)NC(=O)N(NC(=O)c3cccc(Oc4ccccc4)c3)C2=O)c1 14135671 XZRKTLOOESUSLV-XMMPIXPASA-N 431.448 3.600 0 40 IHAB Cc1cc(=O)c(C(=O)OCc2nnc(-c3ccco3)o2)nn1-c1cccc(C(F)(F)F)c1 14241383 CFYVHEAKMJFTOF-UHFFFAOYSA-N 446.341 3.560 0 40 IHAB COc1cc(CCC2CCN(C(=O)CNC(=O)c3ccc(C)s3)CC2)cc(OC)c1 14255168 SNIIZTDUJNTZAS-UHFFFAOYSA-N 430.570 3.675 0 40 IHAB CN1N=C(c2ccccc2)[C@H](C(c2cccs2)[C@H]2C(=O)N(C)N=C2c2ccccc2)C1=O 16188957 UDLKONKPYGNEJY-SEJPIABJSA-N 442.544 3.817 0 40 IHAB COc1ccc(CCNC(=O)CSc2ccc(-c3sc(C)nc3C)nn2)cc1OC 16991861 IZAAMRQCBASQFO-UHFFFAOYSA-N 444.582 3.685 0 40 IHAB Cc1sc(N2C(=O)[C@@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C2=O)c(C(N)=O)c1-c1ccc(C(C)(C)C)cc1 17102497 PVKHYBNHAYKHSF-YJEJQGFLSA-N 438.549 3.787 0 40 IHAB CCn1nc(C)c(C(=O)N2CCO[C@H](c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)c1C 19523714 AQWFMRVLVOSFEQ-INIZCTEOSA-N 449.433 3.802 0 40 IHAB CCN1CCN(C(=O)c2ccc(OC)nc2)C[C@@H](Cc2ccc(-c3ccccc3)cc2)C1=O 19527332 IZJFQRGHFKOGOJ-XMMPIXPASA-N 443.547 3.920 0 40 IHAB CN(C)C(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCCN(C(=O)c2cnccn2)C1 19579473 MNGFNKDLHIGILQ-AREMUKBSSA-N 428.536 3.697 0 40 IHAB COc1cccc(CN2CCN(C)C(=O)[C@@H](Cc3ccc(-c4cccnc4)cc3)C2)c1OC 19589457 KLTRNNFBJJEBSJ-DEOSSOPVSA-N 445.563 3.899 0 40 IHAB CNC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCCN(C(=O)Cc2ccccc2)C1 19591134 PWIVPJUBNOWTIZ-HHHXNRCGSA-N 427.548 3.889 0 40 IHAB COc1cccc(CN2CC=CC[C@H](C3CCN(C(=O)c4scnc4C)CC3)C2=O)c1 19698550 SJWKXYPFSOXYDM-OAQYLSRUSA-N 439.581 3.917 0 40 IHAB CCc1cc(C(=O)N2CCCC[C@H]2c2nc(C)c3c(n2)N(CC(C)C)C(=O)CC3)on1 19740965 ACEVPRJCDLFCFP-SFHVURJKSA-N 425.533 3.638 0 40 IHAB Cc1nc([C@@H]2CCCN(Cc3ncc[nH]3)C2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 19741646 TWCWAFCRWSZYAT-GOSISDBHSA-N 434.519 3.506 0 40 IHAB CN1CCN(C(=O)c2cc([C@@H]3CCN(C(=O)CC4CCCC4)C3)nc3ccccc23)CC1 19761223 MSTKHTVTJFXNRJ-HXUWFJFHSA-N 434.584 3.519 0 40 IHAB COc1ccc(OC)c(NC(=O)CSc2nc(-c3ccc(Br)cc3)n[nH]2)c1 19927775 MACGBZXOEFFPPZ-UHFFFAOYSA-N 449.330 3.982 0 40 IHAB COc1ccc(CN(C)C(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1OC 20451733 ILDHZBLYVHIRTN-UHFFFAOYSA-N 440.521 3.777 0 40 IHAB CCc1nn2c(=O)cc(COC(=O)c3c(-c4c(F)cccc4Cl)noc3C)nc2s1 20961004 BPFKJEVKGXBENY-UHFFFAOYSA-N 448.863 3.826 0 40 IHAB O=C(NCc1ccc(N2CCCC2=O)cc1)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 21599993 ZLGRBRUERYOVOB-GZMUKRDFSA-N 449.595 3.637 0 40 IHAB Cc1ccc(CN2C[C@@H](C(=O)N[C@H](c3ccc(Cl)cc3)c3nccn3C)CC2=O)cc1 21600970 NGSNAJQLGPMAKB-SIKLNZKXSA-N 436.943 3.636 0 40 IHAB COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCc2nnc3ccccn23)cc1 24333286 KBDNGVRXYBRBMT-UHFFFAOYSA-N 438.491 3.580 0 40 IHAB CCOC(=O)c1ccsc1NC(=O)CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3 24777658 ZFRJAGXMXODQKR-UHFFFAOYSA-N 449.579 3.832 0 40 IHAB COc1ccc(CN2CCN(C(=O)c3cc(C(C)C)nc4c3c(C)nn4C)CC2)cc1F 24836827 PNRGLRZCBIWXSH-UHFFFAOYSA-N 439.535 3.506 0 40 IHAB O=C(NCc1ccnc(N2CCCC2)c1)c1ccccc1C(=O)c1ccc2c(c1)OCCO2 26926958 VXDUIOBGTVZMJP-UHFFFAOYSA-N 443.503 3.614 0 40 IHAB Cc1nnc2n1N[C@@H](c1ccc(O)cc1)[C@@H](C(=O)c1ccc(Br)cc1)S2 27525598 YAMKBEUGBMGSFH-RDJZCZTQSA-N 431.315 3.697 0 40 IHAB O=C(NC[C@@H](c1ccco1)N1CCOCC1)c1cc(-c2ccc(Br)cc2)on1 28296048 MZOKBBDUNIWUCR-KRWDZBQOSA-N 446.301 3.500 0 40 IHAB C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)Nc1ccc(OC(F)(F)F)cc1 29753375 IEULPVJSVWADBU-OAQYLSRUSA-N 447.413 3.913 0 40 IHAB CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)c1ccccc1-n1cnnn1 32722702 APNKZYORTFSELZ-UHFFFAOYSA-N 449.536 3.974 0 40 IHAB CC1CCN([C@H](CNS(=O)(=O)c2ccc3oc(=O)ccc3c2)c2cccs2)CC1 32758999 HYDLPTMCHFDRBS-GOSISDBHSA-N 432.567 3.606 0 40 IHAB COc1ccc2cc(COC(=O)/C(=C/c3ccccc3)n3nnnc3C)c(Cl)nc2c1 32957541 ZUPLYYFUAJNCSK-JMIUGGIZSA-N 435.871 3.933 0 40 IHAB COc1ccc([C@H](CNC(=O)c2ncc(Cl)c(Cl)c2Cl)N2CCOCC2)cc1 32969228 YGNHLPHKRRWECC-HNNXBMFYSA-N 444.746 3.854 0 40 IHAB CCn1ncc(Cl)c1CNC(=O)c1cc(-c2cccc(OC)c2)nc2c1c(C)nn2C 36615872 UUMREBFNGWIXOB-UHFFFAOYSA-N 438.919 3.752 0 40 IHAB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)CCCn1c(=O)oc2ccccc21 36719163 HBYIXBLIHXQAEZ-UHFFFAOYSA-N 449.429 3.669 0 40 IHAB COc1cc(C(=O)N2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)cc(OC)c1C 40113949 SKUNGWNPTXKUEG-UHFFFAOYSA-N 428.504 3.628 0 40 IHAB CCN(CC)C(=O)c1sc2[nH]c(=O)n(-c3ccc(Cl)c(Cl)c3)c(=O)c2c1C 71328553 XGGDAJFIADXNPI-UHFFFAOYSA-N 426.325 3.838 0 40 IHAB Cc1ccnc(Nc2cc([C@H]3CCCN(C(=O)[C@H](N)Cc4ccc(F)cc4)C3)nc(C)n2)c1 72355958 WCOYFRJEUBASSA-PZJWPPBQSA-N 448.546 3.647 0 40 IHAB COc1ccc(CN2CCC([C@H]3CC=CCN(C)C3=O)CC2)cc1Cn1nc(C)cc1C 72371062 QEKPVTZKWCKYNI-XMMPIXPASA-N 436.600 3.803 0 40 IHAB COc1ccc2cc(C(=O)NCc3nc4ncc(Br)cc4[nH]3)c(C)nc2c1 78879053 CLUULDVEDDHAHV-UHFFFAOYSA-N 426.274 3.516 0 40 IHAB Cc1nn(CC(C)C)c(C)c1CCC(=O)N[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 95454067 JWXXUTQMDKGDTJ-REWPJTCUSA-N 430.980 3.830 0 40 IHAB Cc1ccc(N(C)[C@H]2CCCN(C(=O)Nc3ccc(CN4C(=O)CCC4=O)cc3)C2)cc1 95942601 UJFGFQRVPIKCTK-QFIPXVFZSA-N 434.540 3.777 0 40 IHAB O=C(Cn1cnc2ccccc2c1=O)Nc1ccccc1Cc1nc(-c2cccs2)no1 96358116 UUBUBJWVYFQCLV-UHFFFAOYSA-N 443.488 3.738 0 40 IHAB C[C@@H](NS(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1)c1cccc(-n2cccn2)c1 97163931 PTZFHGVULUPAJB-QGZVFWFLSA-N 447.520 3.559 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NC1CCCCC1)c1ccc(F)cc1 108086522 MTJHGWAUHYVJNU-UHFFFAOYSA-N 434.533 3.787 0 40 IHAB CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cn(CC(=O)O)c2ccccc12 111674331 AMIAGLIBRUVAOT-ZDLGFXPLSA-N 425.897 3.984 0 40 IHAB CC(=O)c1ccc(N2CCN([C@@H]3CC(=O)N(c4cccc(Cl)c4Cl)C3=O)CC2)cc1 215726749 WLCNXSBDUFCHSW-LJQANCHMSA-N 446.334 3.650 0 40 IHAB COC(=O)c1ccc(NC(=O)c2cccc(N(C)S(=O)(=O)c3ccc(C)cc3)c2)cc1 222542196 MXOBGTJLWBKNIB-UHFFFAOYSA-N 438.505 3.859 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O 222627655 LAMYPLOYOFQFRD-UHFFFAOYSA-N 432.542 3.665 0 40 IHAB COc1ccc(CNC(=O)[C@@H](C)N(Cc2ccc(OC)cc2)C(=O)Cc2ccccc2)cc1 222989121 RPUBQVVIPADZSG-HXUWFJFHSA-N 446.547 3.980 0 40 IHAB CC(=O)Nc1ccc(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)CC3)cc1 223101620 DJOUUDWAEHHJML-UHFFFAOYSA-N 426.270 3.531 0 40 IHAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1C1CC1 223174283 CKIMAFZHCHAHPC-DHIUTWEWSA-N 439.629 3.530 0 40 IHAB CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc(Br)cc1 223624365 UOHYAWRQSQGUNM-INIZCTEOSA-N 433.346 3.690 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NC(C)(C)Cc1ccccc1 224072091 MRGFKUHWFYCGLH-UHFFFAOYSA-N 444.597 3.867 0 40 IHAB CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C)c1ccc(OC)c(C)c1 225546377 IFNDIRQIERJIQL-NRFANRHFSA-N 430.570 3.978 0 40 IHAB Cc1ccc(C2(C(=O)Nc3ccc(OCCCN4CCOCC4)cc3)CCOCC2)cc1 225569352 OVYTXGZJIOQBSX-UHFFFAOYSA-N 438.568 3.783 0 40 IHAB Cc1ccc(OC[C@@H](C)NC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)cc1C 225726251 UJSMITCQBKVHRX-HXUWFJFHSA-N 432.586 3.742 0 40 IHAB COc1cc(C(=O)N2CCN(C)[C@@H](c3ccccc3OC)C2)ccc1OCc1ccccn1 257310954 UHIFVAFHWIRZEC-JOCHJYFZSA-N 447.535 3.807 0 40 IHAB O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1CN(Cc3cccc(Cl)c3)C[C@@H]1C2 306137097 QLKXLSXDFOISQZ-JKSUJKDBSA-N 425.895 3.627 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)[C@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1 408619344 LTAXZSJBYOTQTD-KRWDZBQOSA-N 432.542 3.745 0 40 IHAB Cc1cccc(C)c1NC(=O)COC(=O)CCC(=O)Nc1ccc(Br)cc1 408661242 FFUFWBAFADOOBP-UHFFFAOYSA-N 433.302 3.967 0 40 IHAB C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3cccs3)C(=O)c3ccccc3Cl)C(=O)[C@@H]12 408665810 ZLONBLCUXHQWBO-MUKKUYKPSA-N 442.924 3.839 0 40 IHAB CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)O)c(Cl)c3)N(C)C2=S)cc1 409036035 KYAJQGIRTNPXHV-BOPFTXTBSA-N 446.912 3.807 0 40 IHAB CC(=O)Nc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)cc1 409354165 ZHYZONDJAAAQQO-NVNXTCNLSA-N 449.410 3.737 0 40 IHAB CC(C)c1nnc(CCC(=O)Nc2cccc(NC(=O)CCc3nnc(C(C)C)o3)c2)o1 508336433 YXYVCGZDZHPCHC-UHFFFAOYSA-N 440.504 3.842 0 40 IHAB CC1CCC(C(=O)N[C@@H](CCCCCCCCCN)C(=O)NC[C@@H]2CCCCN2)CC1 1505840642 KRTXFNZZPYQKII-BBITVKMKSA-N 436.685 3.635 0 40 IHAB O=C1C[C@@H]2CCN(C(=O)C3CCOCC3)C[C@@H]2CCOc2ccc(C(F)(F)F)cc2N1 1534646688 OKCSPHXOCUFPPJ-HOTGVXAUSA-N 440.462 3.708 0 40 IHAB C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCOc2ccc(F)c(Cl)c2)CC(C)(C)C1 1726689979 WMBKTMREDGLKMO-RDTXWAMCSA-N 449.958 3.973 0 40 IHAB CCc1ccc(OCc2nnc(SCC(=O)Nc3ccc(OC)cc3OC)n2C)cc1 933822 LHPWVDKDGNEPFE-UHFFFAOYSA-N 442.541 3.705 0 40 IHAB COc1cc2c(=O)n(Cc3ccc(F)cc3)c(=O)n(Cc3ccc(F)cc3)c2cc1OC 969981 RVZQDATVRPGJJF-UHFFFAOYSA-N 438.430 3.555 0 40 IHAB COc1cc(C(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cc(OC)c1OC 1359853 FYUFFECAPBCWTH-HNNXBMFYSA-N 441.459 3.921 0 40 IHAB COc1ccccc1NC(=O)CSc1nnc(-c2cnccn2)n1-c1ccc(C)cc1 2236785 RHWXCXCRWJSWNW-UHFFFAOYSA-N 432.509 3.772 0 40 IHAB COc1cc(OC)cc(-n2c(N)c(C(=O)NC3CCCC3)c3nc4ccccc4nc32)c1 2247056 WICJWUNIFPNFHG-UHFFFAOYSA-N 431.496 3.846 0 40 IHAB Cn1cc(Cl)c([C@@H]2NN=C(SCC(=O)Nc3ccc(Cl)nc3Cl)S2)n1 3137741 WPFCMNPKQAROHV-GFCCVEGCSA-N 437.765 3.753 0 40 IHAB Cc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@H]4C3=O)cc2)cc1C 8449899 HQIUIXICPTTWCQ-PVTAMDAMSA-N 431.488 3.879 0 40 IHAB CSc1ncc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)n1 8612022 XRXDUBFLHXRZMO-LBPRGKRZSA-N 440.978 3.525 0 40 IHAB O=C(COc1cccc(Oc2ccccc2)c1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 8735940 QAVHTCCOJTZGAB-LJQANCHMSA-N 429.538 3.816 0 40 IHAB O=C(c1ccco1)N1CCN(C(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)CC1 9126224 JAXOUQKYHQJIGI-UHFFFAOYSA-N 426.476 3.731 0 40 IHAB COc1cccc(C(=O)N2N=C(c3cccc(NS(C)(=O)=O)c3)C[C@H]2c2ccco2)c1 9126936 LVCIYSWQFMRVPI-FQEVSTJZSA-N 439.493 3.651 0 40 IHAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1cc(C2CC2)nn1-c1ccccc1 9174172 OMDIJTYMCSYOGH-UHFFFAOYSA-N 446.507 3.622 0 40 IHAB CCc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 9231912 RPKOJHQQKKZKFT-OAHLLOKOSA-N 445.313 3.546 0 40 IHAB COc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2ccc(F)c(Cl)c2)cc1 9236723 POOQXEMQTBWHRC-DLBZAZTESA-N 433.896 3.785 0 40 IHAB CCCN(CC(=O)Nc1ccccc1OC)S(=O)(=O)c1ccccc1C(F)(F)F 9349096 ZTOAUXGQIDKENV-UHFFFAOYSA-N 430.448 3.753 0 40 IHAB O=C(Nc1c2c(nn1-c1cccc(Cl)c1)C[S@@](=O)C2)c1ccc(Br)o1 9413389 KFRAMRPZMNEADR-RUZDIDTESA-N 440.706 3.896 0 40 IHAB COc1ccc(-n2nc3c(c2NC(=O)c2ccc(OC(C)C)cc2)C[S@@](=O)C3)cc1 9413829 GGPTVUZURHPFKZ-PMERELPUSA-N 425.510 3.683 0 40 IHAB COc1ccc(/C=C2\N=C(S[C@@H](C)C(N)=O)N(c3ccc(OC(F)F)cc3)C2=O)cc1 9501555 YGLPQZWDIYEALG-UEMWTREESA-N 447.463 3.647 0 40 IHAB Cc1occc1-c1nnc(SCC(=O)NCc2ccc3c(c2)OCO3)n1-c1ccccc1 9507667 ANCVDUCSOQILBA-UHFFFAOYSA-N 448.504 3.973 0 40 IHAB NC(=O)NC(=O)[C@@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)c1ccccc1 9663312 JMVDYYRMLODZTL-SFHVURJKSA-N 433.493 3.615 0 40 IHAB Cc1cccc(C)c1NC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 9665787 FXYDWHRTQKOVJT-UHFFFAOYSA-N 444.553 3.664 0 40 IHAB CCc1ccc(-c2csc(NC(=O)[C@@H](C)OC(=O)[C@H](C)NC(=O)c3ccco3)n2)cc1 9704366 XXUQZVSNXYMHFE-UONOGXRCSA-N 441.509 3.654 0 40 IHAB COC(=O)c1ccc(C)c(NC(=O)[C@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)c1 10339150 XWIQQWKRRDQLTC-AWEZNQCLSA-N 438.933 3.537 0 40 IHAB O=C(CC(c1ccccc1)c1ccccc1)NCCS(=O)(=O)N1CCc2ccccc2C1 10704986 FRPJSGKKYZCQPQ-UHFFFAOYSA-N 448.588 3.713 0 40 IHAB COc1ccc(-c2nnc3ccc(OCCNC(=O)c4ccc5ccccc5c4)nn23)cc1 11693891 OQHMSERGSSDOEQ-UHFFFAOYSA-N 439.475 3.762 0 40 IHAB COc1ccc(OC)c([C@H]2[C@H](C(=O)Nc3ccc(Cl)cc3)[C@@H](C)Nc3ncnn32)c1 11694829 FTMPJZDZMYJWJV-DPMMWBKBSA-N 427.892 3.607 0 40 IHAB CCOC(=O)Cc1csc(NC(=O)CSc2nc(C)nc3sc4c(c23)CCC4)n1 12112442 NDNYRZKKPOSGKU-UHFFFAOYSA-N 448.595 3.781 0 40 IHAB Cn1nc(C(C)(C)C)cc1C(=O)N1CCC[C@H](n2nnc3cc(C(F)(F)F)ccc32)C1 12184930 MCOKJLDTCUJJQG-AWEZNQCLSA-N 434.466 3.958 0 40 IHAB C[C@H](C(=O)N1CCC[C@H]2CN(C(=O)CCn3cnc4ccccc43)C[C@H]21)c1ccccc1 12220864 YTMARFSNSSPAOP-ZCVJKFOLSA-N 430.552 3.680 0 40 IHAB COc1ccc(NC(=O)c2cc(-c3cccnc3)c(N3CCOCC3)s2)c(OC)c1 12222593 KCWSCHZABSILBW-UHFFFAOYSA-N 425.510 3.916 0 40 IHAB CCOc1ccc(NCC(=O)N(c2ccccc2)C(C)C)cc1S(=O)(=O)N1CCCC1 12522251 GFXQSFINURONSI-UHFFFAOYSA-N 445.585 3.723 0 40 IHAB COc1ccc(OC)c(NC(=O)[C@H](C)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 12549917 MABXFTOUUZDPFQ-HNNXBMFYSA-N 437.462 3.872 0 40 IHAB O=C(CCCSc1nnc(-c2ccccc2F)n1Cc1ccccc1)N1CCOCC1 12550289 JRZJYTRVYHYENR-UHFFFAOYSA-N 440.544 3.864 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(-c2ccc(F)cc2)o1 12557069 SGOFHJTYCCRNOW-UHFFFAOYSA-N 438.440 3.929 0 40 IHAB O=C(CN1CCN(C(=O)/C=C/c2ccc(F)c(Cl)c2)CC1)Nc1ccccc1Cl 12856653 WTAQWAXTNLNPDY-SOFGYWHQSA-N 436.314 3.929 0 40 IHAB Cc1c(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cnn1-c1ccccc1F 13000591 AQWFTUJZVODGDL-UHFFFAOYSA-N 449.482 3.826 0 40 IHAB O=C(c1cc(F)c(F)cc1Cl)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1 13986713 HBMXEOTVHPFHEP-LBPRGKRZSA-N 433.842 3.676 0 40 IHAB C[C@@H]1CCc2[nH]c3ccc(C(=O)OCC(=O)Nc4ccccc4C(=O)NC4CC4)cc3c2C1 14021348 RPQOUCWFGULNFA-OAHLLOKOSA-N 445.519 3.980 0 40 IHAB COc1ccc(OC)c(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c1 15083347 WTRNQDDXRRAXRN-UHFFFAOYSA-N 426.494 3.781 0 40 IHAB COc1cccc(NC(=O)CN(C)C(=O)COc2ccc(Cl)cc2Br)c1 15470725 YVRIIDXDKBTGPO-UHFFFAOYSA-N 441.709 3.587 0 40 IHAB C[C@H](SCc1nc(N)nc(Nc2ccc(F)cc2)n1)C(=O)Nc1ccc(F)c(F)c1 15496383 JJDYYKWTVOVYIN-JTQLQIEISA-N 434.447 3.875 0 40 IHAB O=C(c1cncn1-c1ccc(F)cc1)N1CCN(CCOc2ccc(Cl)cc2)CC1 15566090 SQTQMBCMNHKTCH-UHFFFAOYSA-N 428.895 3.502 0 40 IHAB CCCCC(=O)Nc1cccc(C(=O)OCc2cc(=O)n3nc(CCCC)sc3n2)c1 15771913 KNSVGJUIAXGORW-UHFFFAOYSA-N 442.541 3.979 0 40 IHAB C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)N(Cc3ccccc3)c3ccccc3)cc2)C1=O 15843023 WBAIBKJQXRRKQE-GOSISDBHSA-N 434.517 3.846 0 40 IHAB O=C(COc1ccccc1Cl)NC(=S)Nc1ccc(Br)cc1C(=O)O 16450500 KRDIBHCVFAQKEM-UHFFFAOYSA-N 443.706 3.693 0 40 IHAB CCNS(=O)(=O)c1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1OC 16681823 GSLDEAVYUPEXSA-UHFFFAOYSA-N 436.839 3.918 0 40 IHAB CC(C)Oc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1 17097648 UIADOPFCDKOCKO-LBPRGKRZSA-N 431.583 3.886 0 40 IHAB O=C(CC1CCCC1)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)CN(Cc2cccs2)CC3)C1 19343633 QRWYQWJEVAFDPW-GOSISDBHSA-N 440.613 3.676 0 40 IHAB O=C(c1ccccc1F)N1CCC[C@@H](c2nc(N3CCOCC3)ncc2-c2ccncc2)C1 19347504 KIFQKTLYKMCDAX-LJQANCHMSA-N 447.514 3.534 0 40 IHAB CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N3CCc4ccccc4C3)cc2c1 19522938 LJEORVABIGZXPV-HSZRJFAPSA-N 442.567 3.980 0 40 IHAB CC(=O)N[C@H]1C[C@@H](c2cccc(NC(=O)c3cccc(-n4cnnc4)c3)c2)O[C@@H](C(C)C)C1 19712242 RLIPZRDKYGVJOG-JRFVFWCSSA-N 447.539 3.900 0 40 IHAB Cc1nc(C2CCN(C(=O)C[C@H]3C=CCC3)CC2)nc2c1CCC(=O)N2Cc1ccccn1 19739251 XFFJUMIOMZYINN-IBGZPJMESA-N 445.567 3.722 0 40 IHAB Cc1nc([C@H]2CCCN(Cc3ncc[nH]3)C2)nc2c1CCC(=O)N2Cc1ccccc1F 19741663 DBXQKUJJZXVTQP-SFHVURJKSA-N 434.519 3.506 0 40 IHAB O=C(c1n[nH]c2c1CCC2)N1CCC([C@@H]2CCCCN(CCc3ccccc3)C2=O)CC1 19744059 YQEYSULZPUMKBA-NRFANRHFSA-N 434.584 3.622 0 40 IHAB CCn1c(CN2CCC(Cc3nn(C)cc3C(=O)NC3CCCC3)CC2)nc2ccccc21 19756384 WRIXOBULDOTOLD-UHFFFAOYSA-N 448.615 3.917 0 40 IHAB Cc1ncc(C(=O)NC2CCCCC2)c([C@H]2CCCN2C(=O)c2cn3cccc(C)c3n2)n1 19766724 ASBGQIDZJVISBA-OAQYLSRUSA-N 446.555 3.781 0 40 IHAB O=S(=O)(c1cccc2nsnc12)N1CCN(C2c3ccccc3-c3ccccc32)CC1 19835199 LKSPKEXIOGEIES-UHFFFAOYSA-N 448.573 3.768 0 40 IHAB COc1cc(OC)cc(-c2n[nH]c(SCC(=O)Nc3ccccc3Br)n2)c1 19928921 OURLCKNOQXYDEY-UHFFFAOYSA-N 449.330 3.982 0 40 IHAB CS(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1Cl 20490145 OBQKPVQLDGRPEN-UHFFFAOYSA-N 449.960 3.980 0 40 IHAB CC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(C)cc2)c1 20889241 OEDXCKBNCNIHCO-UHFFFAOYSA-N 449.532 3.957 0 40 IHAB CCN(CC)CCNC(=O)[C@@H](C)SCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 21212760 KRSADPPNCPPIKC-OAHLLOKOSA-N 444.626 3.731 0 40 IHAB O=C(c1cc(-c2cccs2)nn1-c1ccccc1)N1CCN(Cc2ccncc2)CC1 21445775 VQQIFWYQSGRIGA-UHFFFAOYSA-N 429.549 3.954 0 40 IHAB O=C(COC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)Nc1ccc(Oc2ccccc2)cc1 21637605 SFGFKWOYXZVRNO-QGZVFWFLSA-N 434.448 3.602 0 40 IHAB CS(=O)(=O)N(CC(=O)NCCCc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 22342264 NLRVHQNDWQGNFJ-UHFFFAOYSA-N 433.332 3.648 0 40 IHAB CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)c1cc(C)n(-c2cc(C)on2)c1C 23182979 NCLSJKWWVOAHBQ-UHFFFAOYSA-N 428.920 3.822 0 40 IHAB CN(Cc1c(F)cccc1Cl)C(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2 23529441 OHUCPVLAQDYUOW-UHFFFAOYSA-N 438.952 3.685 0 40 IHAB CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1ccc(-c2nc3ccccc3n2C(F)F)cc1 23887445 IONUGBCWLBDBIT-SFHVURJKSA-N 448.495 3.851 0 40 IHAB O=C(CCCNC(=O)C12CC3CC(CC(C3)C1)C2)OCc1nc(-c2cccs2)no1 24340628 OGHGRUMOMSYBEO-UHFFFAOYSA-N 429.542 3.954 0 40 IHAB CCOc1ccc([C@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3cccc(C)c3)CC2)cc1 30849444 FWNDTHVXCOWXAY-IBGZPJMESA-N 444.597 3.813 0 40 IHAB O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)NCc1ccc(Cl)cc1 32116528 RWVVDZVUFRLVEL-UHFFFAOYSA-N 446.931 3.986 0 40 IHAB Cc1ccc2c(C)c(CCC(=O)OCc3cc(=O)n4cc(Cl)ccc4n3)c(=O)oc2c1 32841077 NSRBTWYAUXKSPJ-UHFFFAOYSA-N 438.867 3.747 0 40 IHAB CC(C)Cn1c(SCC(=O)NC23CC4CC(CC(C4)C2)C3)nc2ncccc2c1=O 32893278 UAYOPQBZMONMMU-UHFFFAOYSA-N 426.586 3.625 0 40 IHAB CCOc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)n([C@H]3CCS(=O)(=O)C3)n2)cc1 33325640 MWCAIQCREJNRLO-IBGZPJMESA-N 439.537 3.869 0 40 IHAB C[C@@H](NC(=O)c1ccccc1F)c1nnc(SCC(=O)Nc2ccc(Cl)cc2)n1C 33642248 AFKKYPXQOMOZJY-GFCCVEGCSA-N 447.923 3.829 0 40 IHAB CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(CCOC)CCC3)c(C)c1 35588263 YEEYNEUMDCXUQV-UHFFFAOYSA-N 431.558 3.543 0 40 IHAB O=C1N[C@](Cc2ccccc2)(c2ccccc2)C(=O)N1CN1CCC[C@H](C(F)(F)F)C1 36351025 CODOVNOUHLWOIS-SIKLNZKXSA-N 431.458 3.908 0 40 IHAB CCOC(=O)[C@H]1CCCN([C@@H](c2ccccc2Cl)c2sc3nc(C)nn3c2O)C1 36370383 XWJGSEFESMLQHZ-BBRMVZONSA-N 434.949 3.823 0 40 IHAB COc1cc(CCC2CCN(C(=O)c3ccc(=O)n(-c4ccccc4)n3)CC2)cc(OC)c1 36395461 BNRIPZSNQUTFKF-UHFFFAOYSA-N 447.535 3.735 0 40 IHAB CC[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1cccc(Cl)c1C)CC(=O)N2 40390637 GQLWKRQMKWZYLG-KBPBESRZSA-N 443.935 3.565 0 40 IHAB CS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(CN3CCCCC3)cc2)c(Cl)c1 44875251 BGQOBOMHYOIRMV-UHFFFAOYSA-N 435.977 3.627 0 40 IHAB O=C(Nc1cccc(-c2nnn[nH]2)c1)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1 49609490 OOAVDXCPTODBBK-SFHVURJKSA-N 426.480 3.511 0 40 IHAB O=C(NC(=S)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1)c1cccc(F)c1 57316724 XORPIRRXAVSLTC-UHFFFAOYSA-N 449.832 3.872 0 40 IHAB COc1ccc(NC(=O)CN2CCN(c3nc(-c4cccc(OC)c4)cs3)CC2)cc1 57688620 USKZGRBTMDFZQY-UHFFFAOYSA-N 438.553 3.588 0 40 IHAB C[C@H]1CC[C@@H]2N(C1)C[C@@H]1[C@H](CC[C@H]3[C@@H]4CC(=O)[C@H]5C[C@H](O)CC[C@]5(C)[C@@H]4C[C@H]31)[C@]2(C)O 70673299 IQDIERHFZVCNRZ-OCSSSBIFSA-N 429.645 3.886 0 40 IHAB biogenic Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1/C=C1\SC(=O)N=C1Nc1ccc(F)cc1 71286788 OMTMRBUUVJVULB-GESOSKEOSA-N 434.518 3.717 0 40 IHAB CC(=O)Nc1ccc(N2C(=O)C(O)=C(S(=O)(=O)c3ccccc3)[C@@H]2c2ccccc2)cc1 71328663 PJCAVGHCIFOBBZ-NRFANRHFSA-N 448.500 3.976 0 40 IHAB Cn1cc(CCCC(=O)Nc2ccc3c(c2)C(=O)N2CCC[C@H]2C(=O)N3)c2ccccc21 96114871 HOVMURBJIXDEEC-QFIPXVFZSA-N 430.508 3.696 0 40 IHAB biogenic O=C(C[C@@H]1CC2(CCN(S(=O)(=O)c3ccccc3)CC2)c2ccccc21)N1CCCC1 96242088 LHAULYYPAMFRGV-HXUWFJFHSA-N 438.593 3.909 0 40 IHAB CC1=C[C@H]2C[C@H]1[C@@H]1C(=O)N(c3ccc(C(=O)OCC(=O)c4ccc(F)cc4)cc3)C(=O)[C@@H]12 102085398 ZYNFFYIKOUYRTA-MQYXYMALSA-N 433.435 3.567 0 40 IHAB C[C@@H]1[C@@H](NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccncc2)CCC[C@H]1C 108883602 PKJNQZKOIJLFOI-UWVAXJGDSA-N 436.581 3.873 0 40 IHAB CC(=O)OC[C@]12CC[C@H]3[C@@H](C[C@H](OC(C)=O)[C@H]4CC(=O)CC[C@@]43C)[C@@H]1C[C@H](OC(C)=O)C2 118929148 IHYPOAFAUZNFQR-QJGMNLGESA-N 448.556 3.615 0 40 IHAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCS[C@@H](c3ccccc3Cl)CC2)cc1 208046312 WJZKPGQLRWOWDV-LJQANCHMSA-N 439.002 3.911 0 40 IHAB C[C@H](NC(=O)CCCN1C(=O)c2ccccc2S1(=O)=O)c1ccc(C(C)(C)C)cc1 219441309 CAHUNCREYYFVCB-INIZCTEOSA-N 428.554 3.786 0 40 IHAB COc1ccc(Cl)cc1N([C@@H](C)C(=O)NCc1cccc2ccccc12)S(C)(=O)=O 222851803 HVYMSBJPQZPRAY-HNNXBMFYSA-N 446.956 3.973 0 40 IHAB CC[C@H](C(=O)NCc1cccc2ccccc12)N(c1cccc(OC)c1)S(C)(=O)=O 222884623 OROODOIYYHLINT-JOCHJYFZSA-N 426.538 3.709 0 40 IHAB COc1cc(C)c([C@@H](C)NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1C(C)C 223295244 NWZTUKSZDIUIAV-MRXNPFEDSA-N 436.549 3.910 0 40 IHAB COc1cc(C)c([C@@H](C)NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)cc1C(C)C 223300786 KHUORCOUTDYNKA-GOSISDBHSA-N 447.601 3.617 0 40 IHAB Cc1ccccc1N(CCCC(=O)NCCOc1ccccc1C(C)C)S(C)(=O)=O 223823412 TVTAHOZBJREUHC-UHFFFAOYSA-N 432.586 3.860 0 40 IHAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCC3CCCCC3)Oc3ccccc32)cc1 223999997 BJCYAOXMUXVNFN-QFIPXVFZSA-N 428.554 3.648 0 40 IHAB Cc1cc(NC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)ccc1N1CCCC1=O 225195452 KGASMCZECXYGLT-UHFFFAOYSA-N 443.569 3.615 0 40 IHAB CSc1ccc(S(=O)(=O)Nc2nnc(SCC(C)C)s2)cc1NC(C)=O 225463100 YNGHKNILWPILOT-UHFFFAOYSA-N 432.618 3.767 0 40 IHAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc(OC)c(Cl)c1 225847874 ORVKIXYQSSPCIC-QGZVFWFLSA-N 426.922 3.541 0 40 IHAB C[C@H]1CCCN(c2cc(N3CCCCCC3)nc(NC(=S)NC[C@@H]3CCCO3)n2)C1 225908460 KNFDWWOKITVKBF-ROUUACIJSA-N 432.638 3.559 0 40 IHAB COc1cc(=O)n(-c2ccccc2)cc1C(=O)N1CC[C@@H](Oc2cccc3cccnc23)C1 253401771 NMMLMTIDIYEPJB-HXUWFJFHSA-N 441.487 3.688 0 40 IHAB CC1(C)Oc2ccc(O)cc2[C@H]2O[C@H]3CCN(C(=O)c4cccc(F)c4C(=O)O)[C@@H]3C[C@@H]21 257234830 GVGTTXIGCOQVRS-YYKUARIBSA-N 441.455 3.761 0 40 IHAB Cc1ccc2c(CC(=O)N3CCNC(=O)[C@H]3Cc3ccc(-c4ccncc4)cc3)coc2c1 257288334 PTTYEZPDWHCGNF-XMMPIXPASA-N 439.515 3.915 0 40 IHAB C[C@H]1C[C@H](C)CN(CCCNC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)C1 260565853 WXBJQYCMVUZKJF-ROUUACIJSA-N 449.642 3.671 0 40 IHAB CC[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)c1ccc(OC)c(C)c1 260912890 YYAJIKNMQPHNLR-PZJWPPBQSA-N 430.570 3.672 0 40 IHAB Cc1nc(CN2CCC[C@]3(CN(Cc4cccs4)C[C@H]3c3ccnn3C)C2=O)cs1 306136824 QELFCJLCRVDNTI-SIKLNZKXSA-N 441.626 3.655 0 40 IHAB COC(=O)c1ccccc1NC(=O)[C@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 408557034 LPBOIJCCNPHLSH-NSHDSACASA-N 445.324 3.573 0 40 IHAB COCCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(Cl)c1Cl 408613935 YZDGIYRIGHDMPG-UHFFFAOYSA-N 447.340 3.569 0 40 IHAB COc1ccc(Cl)cc1N1C[C@H](C(=O)OCC(=O)Nc2ccccc2Cl)CC1=O 408648409 XYFNGURLLSBWIW-GFCCVEGCSA-N 437.279 3.537 0 40 IHAB Cc1cccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(Br)c(C)c2)c1 408664301 PWLNZJWYNZYXAN-UHFFFAOYSA-N 433.302 3.967 0 40 IHAB O=C(O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)cc1 408701167 SPLYRNMLGSBEKW-UHFFFAOYSA-N 436.917 3.855 0 40 IHAB CCCN(CCC)C(=O)CN1C(=O)S/C(=C\c2cc(Cl)c(O)c(OC)c2)C1=O 409211346 MYZPUYMHQCKBQL-GDNBJRDFSA-N 426.922 3.739 0 40 IHAB O=C(c1cccc(CNC(=O)N2CCC[C@@H]2c2cccc(Cl)c2)c1)N1CCOCC1 547388541 ZLTVCVOUANZNIK-OAQYLSRUSA-N 427.932 3.859 0 40 IHAB CC1(C)Cc2cccc(C(=O)N3CCNC(=O)[C@@H]3c3ccc(OC(F)(F)F)cc3)c2O1 1127948933 HDFHEESOIJURPD-KRWDZBQOSA-N 434.414 3.612 0 40 IHAB CCCS(=O)(=O)c1ccccc1S(=O)(=O)CCN1CCC[C@@H](C2CCCCC2)C1 1560024921 XZLCOVACXZTIHR-HXUWFJFHSA-N 441.659 3.936 0 40 IHAB COCCNC(=O)c1c(Nc2ccccc2F)sc(C(=O)c2ccc(OC)cc2)c1N 3255175 UFOAGEJQDBRDGQ-UHFFFAOYSA-N 443.500 3.829 0 40 IHAB CC(=O)Nc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)cc1 3355557 MWJLXYJDPKCHTI-UHFFFAOYSA-N 435.505 3.649 0 40 IHAB CC(=O)OCC(=O)[C@@]1(OC(C)=O)CC[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@@]21C 4027457 BNPNBAWUHPQBIR-CFYMNZCRSA-N 426.509 3.649 0 40 IHAB biogenic CCN(CC)CCNC(=O)C1CCN(Cc2nc(-c3ccc(Cl)cc3)oc2C)CC1 5043160 BUEZYVDYMLDVNY-UHFFFAOYSA-N 432.996 3.973 0 40 IHAB CC(=O)c1ccc(NC(=O)CSc2nnc(CSc3nc(C)cc(C)n3)o2)cc1 8445752 VGZDDBHWZDKRIO-UHFFFAOYSA-N 429.527 3.702 0 40 IHAB Cc1cc(NC(=O)CCC(=O)N(Cc2ccco2)C(C)(C)C(=O)NC2CCCCC2)no1 8677095 ZASZLCCESIWFHO-UHFFFAOYSA-N 444.532 3.551 0 40 IHAB O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)Nc1ccc2c(c1)OCCO2 8879609 DHCIEUSCHKFCEO-UHFFFAOYSA-N 445.427 3.954 0 40 IHAB biogenic COc1ccc2[nH]c3c(c2c1)CCN1C(=O)CN(CCc2ccc(Cl)cc2)C(=O)[C@]31C 8917995 NXJDNQFUZHKANX-DEOSSOPVSA-N 437.927 3.515 0 40 IHAB biogenic CCOC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1C 9050000 HKIIGSAFSLEWCM-UHFFFAOYSA-N 431.901 3.712 0 40 IHAB O=C(CSc1n[nH]c(=O)n1CCc1ccccc1)Nc1ccc(N2CCCCC2)cc1 9056253 XJOHXPSTDCQWMW-UHFFFAOYSA-N 437.569 3.535 0 40 IHAB CN(C(=O)CSc1ncnc2ccccc12)c1ccccc1C(=O)NCc1ccco1 9155175 YNMCQBDOJWNUHF-UHFFFAOYSA-N 432.505 3.908 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)NCCCN3CCCCC3)c2)c1 9338396 OTKKPYFZBPSCCW-UHFFFAOYSA-N 429.586 3.710 0 40 IHAB COc1ccc(-n2nc3c(c2NC(=O)Cc2cccc4ccccc24)C[S@@](=O)C3)cc1 9413860 IDFAQOOAHWSNFG-HKBQPEDESA-N 431.517 3.978 0 40 IHAB Cc1ccc(NC(=O)C(=O)NCCc2csc3nc(-c4ccc(F)cc4)nn23)cc1C 9569009 IWNTUSQAOZHERU-UHFFFAOYSA-N 437.500 3.511 0 40 IHAB CCOc1cc(C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)cc(OCC)c1OCC 9569139 DPLPLUYZOKFZMT-UHFFFAOYSA-N 448.541 3.675 0 40 IHAB CN(CC(=O)N(Cc1ccco1)Cc1cccs1)S(=O)(=O)/C=C/c1ccccc1 9591456 RMJVSKGPWFMQGA-SDNWHVSQSA-N 430.551 3.802 0 40 IHAB Cc1ccc(CNC(=O)Cc2csc(NS(=O)(=O)c3ccc(Cl)cc3)n2)cc1 9828509 FNJNLSNMDKEBTN-UHFFFAOYSA-N 435.958 3.765 0 40 IHAB CCOc1cc(/C=C2/N=C(c3ccco3)OC2=O)ccc1OC(=O)c1ccc2c(c1)OCO2 10041327 XXFZLCVPGKVZHF-MHWRWJLKSA-N 447.399 3.971 0 40 IHAB COC(=O)c1ccccc1N(C)C(=O)c1cccn(Cc2c(F)cccc2Cl)c1=O 10187775 UPCZILUYRUIPGN-UHFFFAOYSA-N 428.847 3.752 0 40 IHAB COc1cn(CC(=O)Nc2ccc(NC(C)=O)cc2)c(CSc2ccccc2)cc1=O 10255046 WUXCFUNYKFXZSF-UHFFFAOYSA-N 437.521 3.746 0 40 IHAB CCN(C(=O)CSc1nnnn1CCc1cccs1)c1nc2ccccc2s1 10858666 ARYQOBJQWMBHMB-UHFFFAOYSA-N 430.584 3.732 0 40 IHAB O=C(Cc1csc(-c2ccc(OC(F)(F)F)cc2)n1)N1CCN(c2ccccn2)CC1 11865863 BXEWOAXBLYYNOZ-UHFFFAOYSA-N 448.470 3.995 0 40 IHAB COc1cc(OC)cc(C(=O)N(CCCN(C)C)c2nc3c(OC)cccc3s2)c1 12140971 NKTSNVQPOGYZCA-UHFFFAOYSA-N 429.542 3.921 0 40 IHAB O=C(NCc1ccccc1)[C@@H](c1cccnc1)N(C(=O)c1csnn1)c1ccc(F)cc1 12472223 LZDPUCLEHRLTBM-OAQYLSRUSA-N 447.495 3.777 0 40 IHAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cc(Cl)ccc1N1CCN(C)CC1 12558252 HBMVPHMXYNLFKA-HSZRJFAPSA-N 438.959 3.995 0 40 IHAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc(=O)n(Cc2ccccc2)n1 12677740 LLHBDORPNMXFJI-UHFFFAOYSA-N 440.507 3.529 0 40 IHAB C[C@H](C(=O)Nc1ccc(Cl)cn1)N(C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 12786616 NJSQGUFDVKOEEC-LLVKDONJSA-N 430.814 3.531 0 40 IHAB Cc1ccc(NC(=O)CSc2nnc(N3CCC(C)CC3)n2C[C@H]2CCCO2)cc1F 12940011 LXKDTXXNMIPXNI-GOSISDBHSA-N 447.580 3.872 0 40 IHAB COC(=O)c1sc(NC(=O)CSc2ccc(-c3nc4ccccc4[nH]3)cn2)nc1C 13086549 PNVZOPVTEIIYGA-UHFFFAOYSA-N 439.522 3.907 0 40 IHAB COc1ccc(CCNC(=O)CSc2nccc(-c3ccc(F)cc3)n2)cc1OC 13561655 MYIMKACKXTYJGZ-UHFFFAOYSA-N 427.501 3.751 0 40 IHAB CCOC(=O)c1cccc(NC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c1C 13647334 IHOANDGVLNCUFM-AWEZNQCLSA-N 438.933 3.618 0 40 IHAB COc1ccc(CCNCc2ccc(Oc3nnnn3-c3ccccc3)c(OC)c2)cc1 13729721 DXPOVEOOQDXIMK-UHFFFAOYSA-N 431.496 3.804 0 40 IHAB COc1ccc(OC)c([C@@H](C)NC(=O)COc2ccc(I)cc2)c1 14316481 ARQXZPYYKCILOQ-GFCCVEGCSA-N 441.265 3.565 0 40 IHAB COc1ccc(C)cc1NC(=O)C1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1 15081861 IQCFRYFVORVNDF-UHFFFAOYSA-N 430.570 3.968 0 40 IHAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)COc1ccc(Br)cc1F 15095893 BPSLNVDKIFFCAI-CYBMUJFWSA-N 433.281 3.767 0 40 IHAB COc1ccc(/C=C/C(=O)N[C@@H]2CCCC[C@H]2NC(=O)/C=C/c2ccc(OC)cc2)cc1 15225975 SXFGUCSRGRKPQZ-RQWUKIDSSA-N 434.536 3.974 0 40 IHAB CCN(CC(=O)Nc1c(F)cccc1F)CC(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 16372328 OWRJDTIORAALDE-KSKOPSKJSA-N 433.543 3.946 0 40 IHAB O=c1[nH]nc(SCc2nc(-c3ccc(Cl)cc3)no2)n2nc(-c3ccco3)cc12 16844179 RTGZDJFTNIPVEW-UHFFFAOYSA-N 426.845 3.673 0 40 IHAB Cc1ccc2c(C)nc(Nc3nc(C)c(CSc4nnc(C)s4)c(=O)[nH]3)nc2c1 17207159 FOZZFUHBLNUYBS-UHFFFAOYSA-N 425.543 3.834 0 40 IHAB COc1ccc(-c2cc3nc([C@H](C)NC(=O)[C@H](C)Oc4ccc(C)cc4)nn3cn2)cc1 19210957 MXSVBRTYGGSAFB-IRXDYDNUSA-N 431.496 3.753 0 40 IHAB Cc1ccc(-c2cc(N)c(=O)n([C@@H](C)C(=O)N3CCC(Cc4ccccc4)CC3)n2)s1 19217465 UWSBWMUNIOTPBC-KRWDZBQOSA-N 436.581 3.905 0 40 IHAB COc1ccc(CC(=O)N[C@@H](Cc2cc(=O)[nH]c(C)n2)c2ccc(Cl)cc2)cc1F 19285294 ALOXGXOBNUUVLN-IBGZPJMESA-N 429.879 3.522 0 40 IHAB O=C(Cc1csc(-c2ccncc2)n1)NCCn1ncc(-c2ccncc2)c1C1CC1 19405784 RMRVNMZVHPBEBE-UHFFFAOYSA-N 430.537 3.700 0 40 IHAB CCN1CCN(C(=O)Cc2ccccc2)C[C@H](Cc2cccc(-c3ccncc3)c2)C1=O 19527583 YTTQXBBPZNTBNE-VWLOTQADSA-N 427.548 3.841 0 40 IHAB Cc1ncncc1C(=O)N1CCc2nc(-c3cccnc3)nc(Nc3cccc(F)c3)c2C1 19552984 LEIDBFHRKNTIBK-UHFFFAOYSA-N 441.470 3.718 0 40 IHAB Cc1noc2nc(C3CCN(C(=O)[C@@H]4CC(=O)N(C(C)C)C4)CC3)cc(C(F)(F)F)c12 19564501 YKXXUPWCOFWARX-CQSZACIVSA-N 438.450 3.513 0 40 IHAB CN1CCN(c2ncc(-c3ccncc3)c([C@H]3CCCN(Cc4ccc(F)cc4)C3)n2)CC1 19590124 DEEMJQCZSHRIGI-QFIPXVFZSA-N 446.574 3.809 0 40 IHAB Cc1nnsc1C(=O)N1CCC(c2nc(N(C)C)ncc2-c2ccc(F)cc2)CC1 19695153 GSFUNOGFIHWSIO-UHFFFAOYSA-N 426.521 3.528 0 40 IHAB CNc1cc(CN(C)C(C)=O)nc([C@H]2CCCCN2C(=O)CCc2c[nH]c3ccccc23)n1 19709822 SCRIRCQHDTZKKB-JOCHJYFZSA-N 448.571 3.664 0 40 IHAB CCOC(=O)[C@@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@@H]1c1c[nH]c2ccccc12 19818569 XFKCUYFCTOASHV-FCHUYYIVSA-N 446.507 3.669 0 40 IHAB COc1cc(NC(=S)NC(=O)COc2cccc(C)c2)ccc1-c1ccc(CO)o1 20153703 QUDDOZZQLDPXTA-UHFFFAOYSA-N 426.494 3.648 0 40 IHAB CC(C)[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)c1ccc2c(c1)OCCCO2 23054346 FBOZIDUUIPIJTI-UZUQRXQVSA-N 426.488 3.853 0 40 IHAB O=C(COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1cc(F)ccc1F 23295582 NFEYFJGLZPNCKQ-UHFFFAOYSA-N 443.372 3.777 0 40 IHAB COC(=O)c1cc(NS(=O)(=O)c2ccc(Br)cc2Cl)c(F)cc1F 24428228 VJXIDSQPNPADFZ-UHFFFAOYSA-N 440.649 3.968 0 40 IHAB C[C@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc2c(c1)OCCO2 24601374 IDFMQRBYLSSSPA-AWEZNQCLSA-N 435.446 3.965 0 40 IHAB O=C(Nc1cccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1)[C@@H]1CCCO1 25807174 MKPQUVSMFCBCGO-IRLDBZIGSA-N 436.508 3.943 0 40 IHAB Cc1ccc([C@@]2(c3ccccc3)NC(=O)N(CC(=O)NCCc3cccs3)C2=O)cc1C 26176706 KLHPAWSGAMXXSC-RUZDIDTESA-N 447.560 3.519 0 40 IHAB COc1ccc(CCN(C)C(=O)c2nn(-c3ccccc3Cl)c(C)cc2=O)cc1OC 30865196 GHOPUCQEZYPKRG-UHFFFAOYSA-N 441.915 3.526 0 40 IHAB O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 30942309 SJZLVFSKRGLGTE-CTNGQTDRSA-N 439.531 3.585 0 40 IHAB COc1ccc([C@@H](CNC(=O)c2cccc(Cl)c2Cl)N2CCOCC2)cc1OC 32739260 SXCRMUPNJQBHJA-QGZVFWFLSA-N 439.339 3.814 0 40 IHAB O=C(NC[C@H](c1cccs1)N1CCOCC1)c1cc2cc(Br)ccc2[nH]1 32759179 DPKYUIZAWBKVNB-QGZVFWFLSA-N 434.359 3.795 0 40 IHAB CC1CCN(c2nnc(S[C@@H](C(=O)N3CCOCC3)c3ccccc3)n2C2CC2)CC1 32876411 WZYFHKLCVBSKOL-HXUWFJFHSA-N 441.601 3.542 0 40 IHAB O=C(NC1CCC(O)CC1)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 33028107 VRGNUDDQYHTDIH-UHFFFAOYSA-N 442.459 3.540 0 40 IHAB CC(C)c1nn(CC(=O)N2CCC(Cc3ccccc3)CC2)c(=O)c2c1cnn2C(C)(C)C 35589878 BOHNIPSCJZXLAU-UHFFFAOYSA-N 449.599 3.953 0 40 IHAB COC(=O)c1ccc(OC[C@H](O)CSc2nnc(-c3ccccc3F)n2C2CC2)cc1 36396527 DINIGTSLNVUEDK-INIZCTEOSA-N 443.500 3.738 0 40 IHAB CCOc1ccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)cc1 38834381 MXSYPXACFKGWEE-FQEVSTJZSA-N 432.542 3.549 0 40 IHAB C[C@@H](CNC(=O)C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)CN1CCCCC1 40157535 ZQGRVIBRTJOMRZ-GUYCJALGSA-N 429.508 3.747 0 40 IHAB COc1ccc(Cn2ccc3c(nnc4c(-c5ccc(Cl)cc5)cnn43)c2=O)cc1OC 40392377 KIECUEBZMBLMRV-UHFFFAOYSA-N 447.882 3.825 0 40 IHAB O=C(c1cnn(-c2ccccc2)n1)N1CCC[C@@H](c2nnc(-c3ccccc3F)s2)C1 42380113 JVKRRHWKOBXGNT-OAHLLOKOSA-N 434.500 3.945 0 40 IHAB Cc1cc(OCC(=O)Nc2ccc(C)c(C)c2)nc(N2CCN(c3ccccc3)CC2)n1 44170275 NWUZUSGYFMSEBP-UHFFFAOYSA-N 431.540 3.746 0 40 IHAB O=C([C@@H]1CCC[C@@H](C(F)(F)F)C1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 46896384 UGGBCGVFQRHIKT-ZIAGYGMSSA-N 438.899 3.542 0 40 IHAB CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)c1cc(C)n(Cc2ccco2)c1C 48344949 HXGRLZKKKAMPGO-FQEVSTJZSA-N 429.561 3.626 0 40 IHAB CCc1ccc(NC(=O)Cn2cc(C(=O)N3CCC(C)CC3)c(=O)c3ccc(C)nc32)cc1 49002242 DUIWVIIQSUSEOH-UHFFFAOYSA-N 446.551 3.778 0 40 IHAB CCCn1c(=O)c2sccc2n(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1=O 57478865 HNXUCYQJDHYNRI-UHFFFAOYSA-N 445.850 3.946 0 40 IHAB Cc1ccc(C(=O)CSc2nnc3c(=O)n(-c4ccc(F)c(F)c4)ccn23)c(C)c1 64593870 FSVWGHCRFWDRIE-UHFFFAOYSA-N 426.448 3.750 0 40 IHAB CNc1nc([C@H]2CCCCN2C(=O)c2cc(C3CCCCC3)no2)nc2c1CCN(C)C2 72376577 KIDXMRKEGKCSTJ-HXUWFJFHSA-N 438.576 3.909 0 40 IHAB Cn1cc(-c2cc(C(=O)N3CCC(c4onc5c4C[C@H](C(C)(C)C)CC5)CC3)n[nH]2)cn1 72392432 BYDRYLHVAZWRKG-QGZVFWFLSA-N 436.560 3.969 0 40 IHAB Cc1c(NC(=O)N2CCC[C@@H](n3nccc3C(F)(F)F)C2)c(=O)n(-c2ccccc2)n1C 95466199 ICDUEBQMTUJROZ-MRXNPFEDSA-N 448.449 3.569 0 40 IHAB CCOC(=O)c1[nH]c(C)c(C(=O)Nc2nc(C(=O)OC)c(Cc3ccccc3)s2)c1C 95474039 XKJDSPMCXYYXMR-UHFFFAOYSA-N 441.509 3.894 0 40 IHAB O=C1CN(C(=O)CCC(=O)N2[C@H]3CC[C@H]2CC(c2ccc(F)cc2)C3)c2ccccc2N1 100166824 PWGLVNTUJLMNSD-PMACEKPBSA-N 435.499 3.828 0 40 IHAB COc1cccc(Nc2cnn(C34C[C@@H]5CC(C[C@H](C5)C3)[C@@H]4C(=O)O)c(=O)c2Cl)c1 101092925 GRHNBALWWGAKJN-CEHYQNGBSA-N 429.904 3.885 0 40 IHAB CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)ccc1O 102743883 UIBYGIRRCNPPCR-DNVJHFABSA-N 430.460 3.842 0 40 IHAB Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccccc3C(F)(F)F)CC2=O)cc1C 138627455 DREIHKCWNLLIHW-OAHLLOKOSA-N 434.414 3.857 0 40 IHAB COc1ccc(N(CC(=O)N(C)C2CCCC2)S(=O)(=O)c2ccc(C)cc2)cc1OC 216462691 UDJZEHILHISSLY-UHFFFAOYSA-N 446.569 3.609 0 40 IHAB 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3.838 0 40 IHAB COc1ccc([C@@H]2[C@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccc(C(C)C)cc2)cc1 409054684 AZTPOAJULHTWQO-HCOVDNQSSA-O 442.539 3.835 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cnc4n[nH]c(C)c4c3)cc2)cc1 518656733 OWHAUAQARPTAOA-UHFFFAOYSA-N 435.509 3.652 0 40 IHAB NS(=O)(=O)c1ccc(CNCc2ccccc2-c2ccc(Cn3cccn3)cc2)cc1 1560308592 XFYGEQZJJDPKOK-UHFFFAOYSA-N 432.549 3.536 0 40 IHAB O=C(CSc1nnc(-c2ccncc2)n1C[C@@H]1CCCO1)Nc1ccccc1Cl 915376 BBPXOAVVBXUIQG-HNNXBMFYSA-N 429.933 3.903 0 40 IHAB CCCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3cccc(Cl)c3)nnc12 3375740 DRGJRAWJEWMUID-UHFFFAOYSA-N 427.917 3.838 0 40 IHAB O=C(CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)Nc1ccc(Cl)cn1 3429730 JVKCGYGRMIHILM-ZDUSSCGKSA-N 435.962 3.965 0 40 IHAB Cc1ccc(C)c(-n2c(S[C@H](C)C(=O)NC(N)=O)nnc2-c2cccc(Cl)c2)c1 3430367 RWEBDGFONHFABM-CYBMUJFWSA-N 429.933 3.880 0 40 IHAB COc1ccc(NC(=S)N(CCCO)Cc2cc3cc(C)c(C)cc3[nH]c2=O)cc1 4127659 VYWYPNKJWCOJPD-UHFFFAOYSA-N 425.554 3.735 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc2nc(NC(=O)c3ccc(OC)cc3OC)sc2c1 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Cc1cccc(N(CC(=O)NCc2ccccc2)C(=O)CCC(=O)Nc2ccccn2)c1C 13501274 MRGJOMNSNKORTN-UHFFFAOYSA-N 444.535 3.767 0 40 IHAB O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCCO2)NC1CCN(Cc2ccccc2)CC1 14139813 NFXZQBJAQARFFD-DEOSSOPVSA-N 449.595 3.766 0 40 IHAB CCC(=O)N1CCN(c2ccccc2NC(=O)c2cc(Br)ccc2OC)CC1 14273500 UPTMFKOQYSEJMJ-UHFFFAOYSA-N 446.345 3.769 0 40 IHAB O=S(=O)(c1ccccc1F)N1CCN(c2nc(-c3ccccc3)nc3ccccc23)CC1 15162873 RMQGSBCMUOVMQW-UHFFFAOYSA-N 448.523 3.947 0 40 IHAB COc1ccc(OC)c([C@H]2CCCN2CC(=O)Nc2cc(Cl)ccc2-n2cncn2)c1 15518422 HUFHEAFSAFLGMA-LJQANCHMSA-N 441.919 3.714 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N[C@@H](C)c1ccc(F)cc1 15649105 UPIJZEPCBQGEII-INIZCTEOSA-N 434.533 3.890 0 40 IHAB CN(Cc1cccc(Cl)c1Cl)C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 15649204 QMBZJYNDTZPTCU-AWEZNQCLSA-N 435.307 3.776 0 40 IHAB COc1cccc(C(=O)NC[C@@H](c2ccco2)S(=O)(=O)c2ccc(F)c(C)c2)c1OC 15781255 MGNBJHFEXMULGG-FQEVSTJZSA-N 447.484 3.689 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1NC(=O)C1CCC1 16051031 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WOCSKJMWOJNWDL-JOCHJYFZSA-N 428.602 3.865 0 40 IHAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)CC(=O)N(C)Cc1c(F)cccc1Cl 32754428 YTWHMKFSJLNHAA-AWEZNQCLSA-N 426.941 3.534 0 40 IHAB COC(=O)c1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1 32980126 RZFATTRVUYHUML-JOCHJYFZSA-N 432.476 3.949 0 40 IHAB O=C(O)[C@H](c1c[nH]c2cc(CO)ccc12)N1CCN(Cc2ccc(Cl)cc2Cl)CC1 36353594 QJSDHHPRZJFUDN-NRFANRHFSA-N 448.350 3.911 0 40 IHAB Cc1cc(-c2cnc(N3CCC[C@H](C)C3)nc2C2CCN(C(=O)[C@H]3CCCO3)CC2)on1 36718906 YULLLTOZTHMWHI-OXJNMPFZSA-N 439.560 3.561 0 40 IHAB COc1ccc2cnn(CC(=O)Nc3ccc(Oc4ccccc4)cc3)c(=O)c2c1OC 40267977 MOKYPOREPMMCKD-UHFFFAOYSA-N 431.448 3.845 0 40 IHAB O=C(CCN1CCC[C@H]1c1ccsc1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 48248807 RHZJABRYROQGAM-FQEVSTJZSA-N 433.599 3.698 0 40 IHAB Cc1ccc(-n2nnc(C(=O)Nc3ccc4c(c3)OCCO4)c2-c2cccnc2)cc1C 49003593 UMRLTHDCJFRCEC-UHFFFAOYSA-N 427.464 3.970 0 40 IHAB Cc1ccc([C@H](CN2CCOCC2)NCC(=O)N(Cc2ccccc2)Cc2ccco2)cc1 49592426 QXMKZMYXRFQDCB-SANMLTNESA-N 447.579 3.780 0 40 IHAB CCN(C(=O)Cn1c(=O)n(-c2ccc(C)cc2C)c(=O)c2sccc21)c1ccccc1 57492880 ZFXGMWBERYMNSJ-UHFFFAOYSA-N 433.533 3.884 0 40 IHAB NS(=O)(=O)c1ccc(CNc2ncc(-c3ccsc3)c(-c3nccs3)n2)cc1 57743504 RFQBTRCGHFGMKA-UHFFFAOYSA-N 429.552 3.588 0 40 IHAB COc1ccc(C(=O)Cn2c(=O)n3nc(-c4cccc(F)c4)nc3c3ccccc32)cc1 65535062 HFNGRYOSLNQSDY-UHFFFAOYSA-N 428.423 3.742 0 40 IHAB O=C(Cn1nc2ccc(-c3ccc(Cl)cc3)nn2c1=O)c1ccc(Br)cc1 67206956 OFYMBKFUBOSYNZ-UHFFFAOYSA-N 443.688 3.857 0 40 IHAB CCN1CCN(c2ccc(Cl)cc2NC(=O)[C@]2(C)Cc3ccccc3C(=O)O2)CC1 69405047 NDOQNYJEIMCNNV-QHCPKHFHSA-N 427.932 3.592 0 40 IHAB CCCc1noc(-c2ccnc(-n3cnc(C(=O)NCc4ccccc4OCC)c3)c2)n1 71768440 ALKXXYASFCNSTK-UHFFFAOYSA-N 432.484 3.599 0 40 IHAB Cc1nc(Nc2ncc(C)s2)cc([C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)n1 72360246 SOMVWASZMJWIBQ-QGZVFWFLSA-N 433.534 3.958 0 40 IHAB CCOCc1cc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4cccnc4)n3)C2)ccc1OC 72393165 MMNBJVZPCHBSTC-HXUWFJFHSA-N 434.540 3.757 0 40 IHAB O=S(=O)(Cc1ccc(F)c(Cl)c1)NC[C@H](c1ccccc1Cl)N1CCOCC1 84501674 GAANIQQBIOEQIY-LJQANCHMSA-N 447.359 3.625 0 40 IHAB CN1C[C@H](NCc2cccc(Cl)c2)CCC[C@@H](C(=O)N(C)Cc2cccnc2)CC1=O 96113466 NXJOTALSWQVIJJ-IFMALSPDSA-N 442.991 3.500 0 40 IHAB biogenic,in-vitro CCN1C[C@H]2C3(CCN(C(=O)c4cccc(Cl)c4)CC3)CC[C@@]2(C(=O)N2CCCC2)C1 96143891 NLPMQXLOZIGOGB-SQJMNOBHSA-N 444.019 3.917 0 40 IHAB CN(C)c1cc(C(F)(F)F)nc(N2[C@H]3CC[C@H]2CC(O)(Cc2ccc(F)cc2F)C3)n1 101814650 GIUGXYKTFFJVIU-GJZGRUSLSA-N 442.432 3.945 0 40 IHAB CCOc1cc(CN2Cc3ccccc3C[C@@H]2C(=O)NCCCN(CC)CC)ccc1O 199429245 VFZPGMJOQXUJTH-HSZRJFAPSA-N 439.600 3.566 0 40 IHAB O=C(CCn1cnc2ccccc2c1=O)N1CCS[C@H](c2cc(F)ccc2F)CC1 219310730 YEYDDNLVQOFSJF-FQEVSTJZSA-N 429.492 3.772 0 40 IHAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 219978977 QACHQUJWZYLWQT-FQEVSTJZSA-N 428.554 3.812 0 40 IHAB CCCCc1ccc(NC(=O)[C@H](C)N(c2cc(OC)ccc2OC)S(C)(=O)=O)cc1 220216994 VGVQWVYZWARUKE-INIZCTEOSA-N 434.558 3.840 0 40 IHAB CS(=O)(=O)N(CC(=O)NCc1cccc2ccccc12)c1cccc(C(F)(F)F)c1 222839035 VBNJPGIYTGGYLK-UHFFFAOYSA-N 436.455 3.941 0 40 IHAB Cc1cc(C)cc(N(CC(=O)NCCOc2ccccc2C(C)(C)C)S(C)(=O)=O)c1 223678029 KKLHDSKBJLXDMD-UHFFFAOYSA-N 432.586 3.562 0 40 IHAB COc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NCC(C)C)cc1 224244087 ZYGANTQHIDBBIS-QGZVFWFLSA-N 432.948 3.917 0 40 IHAB CC[C@@H](C(=O)NCCOc1ccc(C)cc1C)N(c1ccc(Cl)cc1)S(C)(=O)=O 224307695 YOBDMCQPRWKWRL-IBGZPJMESA-N 438.977 3.697 0 40 IHAB COc1cccc(CNC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(F)cc3)c2)c1 224489921 QBBQDGCKZRDWGE-UHFFFAOYSA-N 428.485 3.589 0 40 IHAB CC(C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc2c(c1)OCCO2 224641070 YNBUUIKDGFVAGN-KRWDZBQOSA-N 444.959 3.986 0 40 IHAB CC[C@@H](C(=O)N[C@@H](C)c1cc(OC)ccc1OC)N(c1cc(C)cc(C)c1)S(C)(=O)=O 225006555 AYYQDJVFXCTORT-UWJYYQICSA-N 448.585 3.743 0 40 IHAB O=C(CN1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1)Nc1ccccc1OC(F)F 257209481 BQOFNFLQUJVOOZ-REWPJTCUSA-N 432.467 3.677 0 40 IHAB Cc1cc(Nc2ccnc(C[C@H]3COC4(CCN(C(=O)OC(C)(C)C)CC4)C3)n2)[nH]n1 257216152 CTJPNYANSQHVOC-MRXNPFEDSA-N 428.537 3.600 0 40 IHAB Cc1ccc(-c2ccc3c([C@H]4CN(C(=O)c5csc(C)n5)CCN4C)nnn3c2)cc1 306140266 UOOFROVFVYFIFD-OAQYLSRUSA-N 432.553 3.599 0 40 IHAB COC(=O)c1ccc(NC(=O)[C@@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 408558852 SSAKWSNTJOHYGM-LLVKDONJSA-N 445.324 3.573 0 40 IHAB CCCCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl 408594323 OLTSMSAOXPVOTM-KRWDZBQOSA-N 429.369 3.799 0 40 IHAB COC[C@@H](C)NS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(Cl)cc2Cl)c1 408594780 PGMHJDNQZHLSTH-LLVKDONJSA-N 447.340 3.568 0 40 IHAB O=C(NCc1ccccc1Cl)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 408598297 YVIAUNYDPZFZDG-OAQYLSRUSA-N 428.941 3.546 0 40 IHAB COc1cc(OC)cc(-c2nnc(S/C(=C\c3ccc(OC)c(O)c3)C(=O)O)o2)c1 408631458 DXOZEIIRTQATDG-IDUWFGFVSA-N 430.438 3.686 0 40 IHAB COc1cc(/C=C2\NC(=O)NC2=O)cc(Br)c1OCc1ccccc1Cl 408916316 BRLVRPNASYEXIY-AUWJEWJLSA-N 437.677 3.870 0 40 IHAB CC(=O)Oc1c(Br)cc(Cl)cc1/C=c1\sc2nc3ccccc3n2c1=O 408919399 XKHKMQSRSQQQAB-CHHVJCJISA-N 449.713 3.798 0 40 IHAB Cc1cccc(CSCCNC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)c1 408925086 JARDZUJEMXUKED-UHFFFAOYSA-N 442.606 3.964 0 40 IHAB CCn1c(SCC(=O)Nc2ncccc2C)nnc1[C@H](C)NC(=O)c1cccc(C)c1 409132503 YJGGAPIQIBLLBD-INIZCTEOSA-N 438.557 3.532 0 40 IHAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)C(=O)N(C)Cc1ccccc1)CC2 568301848 ADYZRCBXTIGIDB-VWLOTQADSA-N 444.531 3.837 0 40 IHAB O=C1CCC[C@]2(CN(C(=O)c3cccc(Oc4ncccn4)c3)C[C@H]2c2cccc(F)c2)N1 585261703 XCBYAYRVCXXKKH-SQJMNOBHSA-N 446.482 3.687 0 40 IHAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N([C@H]1CCN(CC(F)(F)F)C1=O)CC2 599200364 HXAMUHPTEHRPPZ-RXVVDRJESA-N 434.458 3.815 0 40 IHAB COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)[C@@H]1CC(c2ccccn2)=NO1 1544716663 YDJJNKMCZDVKHH-HKUYNNGSSA-N 430.302 3.709 0 40 IHAB Cc1ccc(CN2CCC3(CC2)[C@H](C(=O)N2CCC2)c2ccccc2C(=O)N3C(C)C)cn1 1549167466 PAOWTGAVQSWIDU-DEOSSOPVSA-N 446.595 3.605 0 40 IHAB O=C(c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)N1CCC[C@@H]1[C@@H]1CCCOC1 1630904162 BCEBCNTWLTUIBB-OXQOHEQNSA-N 440.993 3.546 0 40 IHAB O=C(NCc1noc([C@@H]2CCC(=O)N2CCc2ccccc2)n1)Nc1ccc(F)c(F)c1 1775963866 HGZMEVRIJLMTTA-SFHVURJKSA-N 441.438 3.576 0 40 IHAB biogenic,in-vitro CCOC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 828326 ZFJNMJYUDWNQHS-CYBMUJFWSA-N 431.286 3.617 0 40 IHAB Cc1sc(NC(=O)c2nn(C)cc2I)c(C(=O)OC(C)C)c1C 997877 RTEKBHNNELBONF-UHFFFAOYSA-N 447.298 3.521 0 40 IHAB O=C(CSc1nnnn1-c1ccccc1F)Nc1nc(-c2ccc(F)cc2)cs1 1340437 FPCJLXHQBLYETG-UHFFFAOYSA-N 430.465 3.795 0 40 IHAB NC(=S)C1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(Br)cc1 1641960 IJQQZLKNYUBSBS-CYBMUJFWSA-N 429.295 3.536 0 40 IHAB C[C@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2ccc(Cl)cc2Cl)o1 2208461 LBWIHUGBZUIVRN-VIFPVBQESA-N 436.317 3.936 0 40 IHAB CCCCNC(=O)c1c(N)n(CCc2ccc(OC)c(OC)c2)c2nc3ccccc3nc12 2290312 COBJRLIEBCJZIC-UHFFFAOYSA-N 447.539 3.957 0 40 IHAB NC(=O)c1c(NC(=O)COc2ncnc3c(Cl)cc(Cl)cc23)sc2c1CCC2 3352196 LBXDKPKVVIDCBQ-UHFFFAOYSA-N 437.308 3.603 0 40 IHAB CCc1nnc2sc(-c3ccc(C)c(NC(=S)NC(=O)/C=C/c4ccco4)c3)nn12 4125375 IXKVXCGTLKWLBI-CMDGGOBGSA-N 438.538 3.843 0 40 IHAB Cc1ccc(C)c(N(CC(=O)NC2CCCC2)C(=O)CCCC(=O)Nc2ccccn2)c1 6548453 JHWDCJBLPGLDMI-UHFFFAOYSA-N 436.556 3.899 0 40 IHAB Cc1ccc(NC(=O)CN2CCC(NC(=O)C3CCCCC3)CC2)c(Br)c1 8690209 HKDIYKGHWHGFSF-UHFFFAOYSA-N 436.394 3.857 0 40 IHAB CCCCNC(=O)c1cccc(N2C(=O)N3CCc4c([nH]c5ccccc45)[C@@]3(C)C2=O)c1 8918430 GWYKMIUTYFGXLW-VWLOTQADSA-N 430.508 3.938 0 40 IHAB biogenic CCCCN1C(=O)C[C@@H](C(=O)Nc2cccc(C(=O)NC3CC3)c2)[C@H]1c1ccc(OC)cc1 9217509 ZJRZDRBOXOMUOS-ISKFKSNPSA-N 449.551 3.916 0 40 IHAB O=C(Nc1cccc(/C=C/c2ccccn2)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 9254397 KNAHBEMJQIOHLI-JXMROGBWSA-N 449.532 3.525 0 40 IHAB COc1ccc(OCCSc2nnc(CC(=O)Nc3ccccc3Cl)n2C)cc1 9262151 REHLAVBKPVIZFT-UHFFFAOYSA-N 432.933 3.829 0 40 IHAB COc1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(C)C(=O)[C@H]1S(=O)(=O)c1ccc(C(C)(C)C)cc1 9407644 OIZIOMXXIWTNIG-NHCICSSKSA-N 443.565 3.890 0 40 IHAB COc1ccc(NC(=O)CN2C(=O)C(c3ccc(F)cc3)=NC23CCCCC3)c(OC)c1 9407927 LSSKNCNMRFGQKB-UHFFFAOYSA-N 439.487 3.773 0 40 IHAB CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)CCS(=O)(=O)c1ccccc1 9489697 VZYVXJRANNWEHQ-UHFFFAOYSA-N 446.550 3.892 0 40 IHAB COc1ccc2cc(CN(C)C(=O)CSc3nnnn3Cc3ccccc3)ccc2c1 9533325 GJJISYORJOWDTB-UHFFFAOYSA-N 433.537 3.634 0 40 IHAB Cc1ccc(-c2cc(-c3nnc(SCC(=O)Nc4cc(C)ccc4C)n3N)[nH]n2)cc1 9541399 ZQRJZRJTFXRDHI-UHFFFAOYSA-N 433.541 3.705 0 40 IHAB CCCCc1nnc(SCC(=O)Nc2ncc(Br)cc2Br)[nH]1 9554146 ZTHJULMSVGNKAR-UHFFFAOYSA-N 449.172 3.798 0 40 IHAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccccc1CSc1nc2ccccc2o1 9556001 APDTYTZEMAJUMJ-CYBMUJFWSA-N 427.482 3.511 0 40 IHAB C[C@@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1 9641205 XEGSTXRFXRPDJJ-MRXNPFEDSA-N 449.532 3.863 0 40 IHAB Cc1ccc(C)c(-c2nnc(NC(=O)[C@@H]3CCCCN3S(=O)(=O)c3cccs3)o2)c1 9664140 DWHHJBAOZDTQDY-INIZCTEOSA-N 446.554 3.597 0 40 IHAB COc1ccc2cc(C(=O)NCc3ccc(CS(=O)(=O)NC(C)C)cc3)ccc2c1 10748399 FEOVXQUHVADKMA-UHFFFAOYSA-N 426.538 3.606 0 40 IHAB C[C@H](C(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F)N(C)Cc1cccc(F)c1 11202130 KLBYZTLEUWIKIQ-CQSZACIVSA-N 425.426 3.762 0 40 IHAB COc1ccccc1C(=O)N(Cc1ccc(-c2ccc(F)cc2)o1)[C@@H]1CCS(=O)(=O)C1 11914229 DXXNGAGZFRSKQP-GOSISDBHSA-N 443.496 3.924 0 40 IHAB COc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3C)nn2[C@@H]2CCS(=O)(=O)C2)cc1 11996885 BIFUWIVMSMGVLT-GOSISDBHSA-N 439.537 3.787 0 40 IHAB O=C(CCCNC(=O)N1CCc2c([nH]c3ccccc23)C1)NCCc1c[nH]c2ccccc12 12296444 QNJFNNWYEPHVME-UHFFFAOYSA-N 443.551 3.856 0 40 IHAB biogenic CCc1ccccc1NC(=O)CN1CCN(C(=O)c2cc3ccccc3cc2OC)CC1 12809319 FYSZAOZMVJGGLI-UHFFFAOYSA-N 431.536 3.807 0 40 IHAB COc1ccc(C(=O)N[C@H](CN2CCOCC2)c2ccc(C)cc2)cc1Br 12925740 TZQPGFVIRKMLBY-LJQANCHMSA-N 433.346 3.569 0 40 IHAB CC(=O)c1ccc(NC(=O)[C@@]2(CC(=O)O)CC(c3ccc(Br)cc3)=NO2)cc1 13591847 MLGROMXPMMOKPF-FQEVSTJZSA-N 445.269 3.628 0 40 IHAB COc1cccc(NC(=O)c2nnc3c(-c4ccc(OC)c(OC)c4)c(C)nn3c2C)c1 13639252 QMRQOOGWPGSMOK-UHFFFAOYSA-N 433.468 3.686 0 40 IHAB O=C(Nc1cccc(C(F)(F)F)c1)[C@@H](c1ccccc1)N1CCN(c2ncccn2)CC1 14184972 FKIXPZNJPZDGIK-HXUWFJFHSA-N 441.457 3.997 0 40 IHAB CCOc1ccc(Oc2ccc(NC(=O)CNC(=O)c3ccc4c(c3)OCO4)cc2)cc1 15981758 VHJLHVBTZJBTHF-UHFFFAOYSA-N 434.448 3.975 0 40 IHAB O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1)NCc1ccc(Cl)cc1 16490354 FEONDTSMDJVUGQ-UHFFFAOYSA-N 430.913 3.836 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)CN(CC)S(=O)(=O)c2ccc(C)cc2)cc1 16639010 CLLWWYWJVDRBMI-UHFFFAOYSA-N 432.542 3.601 0 40 IHAB CCC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2ccc(C)cc2Cl)cc1 17099344 CCBJGNQAMNIFCZ-UHFFFAOYSA-N 434.974 3.998 0 40 IHAB CCNc1nc(C)c(C(=O)N2CCC[C@@H]2c2nc(C)c3c(n2)N(CC(C)C)C(=O)C3)s1 19744304 BXMRPLMHKLUIHD-MRXNPFEDSA-N 442.589 3.504 0 40 IHAB CC(C)CNC(=O)c1cc([C@@H]2CCN(C(=O)c3cc(C4CC4)nn3C)C2)nc2ccccc12 19762487 HLVIVGGUBFKZCD-GOSISDBHSA-N 445.567 3.861 0 40 IHAB Cc1ncc(C(=O)NC2CCCCC2)c([C@H]2CCCN2C(=O)c2cccc(N(C)C)c2)n1 19766675 WQNDDZXYUKEZHW-JOCHJYFZSA-N 435.572 3.891 0 40 IHAB O=C(NCc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 20007648 IDNNGMDDPZJGJQ-OAQYLSRUSA-N 446.931 3.685 0 40 IHAB CN(c1ccc(Cl)cc1)S(=O)(=O)c1nnc(NC(=O)/C=C/c2ccccc2)s1 20486780 IVEGUZXTYRTUOP-KPKJPENVSA-N 434.930 3.669 0 40 IHAB CCc1[nH]c(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)c(C)c1C(=O)OC 21529549 RQLWVOYYOCYIFF-UHFFFAOYSA-N 438.553 3.939 0 40 IHAB COc1cc2c(cc1OC)CN([C@@H]1CC(=O)N(c3cc(Cl)cc(Cl)c3)C1=O)CC2 22609295 IAXZFSRIGQOTEY-QGZVFWFLSA-N 435.307 3.701 0 40 IHAB CCOC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)/C=C/c2csc(C)n2)CC1 25065892 JZPVGYXGLRMRED-NDDJGDGRSA-N 433.961 3.567 0 40 IHAB CC1CCC(NC(=O)CCNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 27624244 JRDODFIDQXGDES-UHFFFAOYSA-N 426.888 3.722 0 40 IHAB CC(C)C(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2ccc(Cl)cc2)CC1 32127664 LBAAOKHRPPBDIN-UHFFFAOYSA-N 444.988 3.771 0 40 IHAB CC(=O)Nc1cccc(-n2cnnc2S[C@H](C)C(=O)Nc2cccc3ncccc23)c1 32778443 LJFDVZIKNLNVRM-CQSZACIVSA-N 432.509 3.893 0 40 IHAB COc1ccc(NC(=O)CCNc2ccccc2C)cc1S(=O)(=O)N1CCCCC1 32983844 ARYVKARAXHCWHY-UHFFFAOYSA-N 431.558 3.619 0 40 IHAB COc1ccc(CNC(=O)Cn2nc3c(c2NC(=O)/C=C\c2ccccc2)CSC3)cc1 35127762 GJZJGVZMORNEQZ-XFXZXTDPSA-N 448.548 3.607 0 40 IHAB COC(=O)[C@@H]1SC(c2ccc(OC)cc2)=C[C@@H]2C1=C(O)C(=O)N2c1ccc(OC)cc1 35193514 SUMFSRMKABIKMS-DYESRHJHSA-N 439.489 3.561 0 40 IHAB CCOC(=O)C1=C(CSCc2ccco2)NC(=O)N[C@@H]1c1ccc(OC)c(COC)c1 36611312 RYVMJGDPBJNLOE-HXUWFJFHSA-N 446.525 3.539 0 40 IHAB CCn1ncc([C@@H](C)NC(=O)c2cc(-c3cccc(OC)c3)nc3c2c(C)nn3C)c1C 36616080 YRJNLSOCAITPJJ-CQSZACIVSA-N 432.528 3.968 0 40 IHAB Cc1nn(C)cc1Cn1cc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cn1 36617887 ZYNIIQFEIPOWSA-UHFFFAOYSA-N 431.525 3.934 0 40 IHAB COc1ccc(-c2nnc([C@@H]3CCCN(S(=O)(=O)c4ccc(OC)cc4)C3)s2)cc1 36705249 RBRLHGKHQCFUGI-MRXNPFEDSA-N 445.566 3.791 0 40 IHAB O=C(NCc1ccc(-n2cccn2)nc1)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1 40040740 FJKVSTIPXMTTGD-OAQYLSRUSA-N 439.519 3.589 0 40 IHAB Cc1cccc(N2CCN(C(=O)CCn3nc(-c4cccc(Cl)c4)ccc3=O)CC2)c1 41251982 FTAJJKBMYCAWGK-UHFFFAOYSA-N 436.943 3.611 0 40 IHAB CCCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)NCc2ccc(OC)cc2)C1 44803870 DSPWOTPZXCESIC-IBGZPJMESA-N 434.540 3.960 0 40 IHAB Cc1ccc(CCCNC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)cc1 44909553 DSAHNCSKXZRCBU-QFIPXVFZSA-N 444.597 3.569 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)N3CCO[C@@H]4CCCC[C@H]43)c2)c1 48273864 WFASWMWVVWLQDL-NHCUHLMSSA-N 428.554 3.888 0 40 IHAB COc1ccccc1[C@@H](CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)N1CCCC1 48373933 GEXOQDRZQQLCSC-GOSISDBHSA-N 444.475 3.709 0 40 IHAB CC(C)c1cccc(NC(=O)CN2C(=O)N[C@H](c3cccc(Cl)c3)C3=C2COC3=O)c1 49402980 AOBUODDYDQAZPB-OAQYLSRUSA-N 439.899 3.979 0 40 IHAB CCCN(CCC)C(=O)Cn1c(=O)n(Cc2cccc(Cl)c2)c(=O)c2ccccc21 57472863 LWRIECIBSXCGTA-UHFFFAOYSA-N 427.932 3.514 0 40 IHAB Cc1cc(C)cc(-n2c(=O)c3sccc3n(CC(=O)N[C@@H]3CCc4ccccc43)c2=O)c1 57492382 UAIVNJNBECGQEX-HXUWFJFHSA-N 445.544 3.634 0 40 IHAB CC(C)[C@@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)N1CCN(c2ncccn2)CC1 57802898 RUBMNYLTEQXULD-QGZVFWFLSA-N 441.885 3.934 0 40 IHAB COC(=O)c1ccc(Cl)c(NC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)c1 60531748 CUIZEHZIDXYFAC-UHFFFAOYSA-N 446.912 3.539 0 40 IHAB Cc1cccc(-c2noc(-c3ccc(=O)n(CC(=O)N4CCCc5ccccc54)c3)n2)c1 67289379 BYAOUAOCICWDNM-UHFFFAOYSA-N 426.476 3.853 0 40 IHAB Cc1ccc(C(=O)Nc2ccc([C@@H](O)[C@H]3COCC(=O)N3Cc3ccccc3F)cc2)cc1 67896533 FWNZRNAGTUCXTA-ILBGXUMGSA-N 448.494 3.847 0 40 IHAB biogenic,in-vitro CCOC(=O)c1ccc(NC(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)cc1 72245327 GRPFDEMCUJZEIT-UHFFFAOYSA-N 441.797 3.900 0 40 IHAB Cc1ccc(CCC(=O)N2CCC3(CC2)C[C@]2(CO3)NC(=O)c3cc(Cl)ccc3N2)o1 72325523 HFNVXWASPLMHEK-HSZRJFAPSA-N 443.931 3.507 0 40 IHAB Cc1ccc2c(c1)C(=O)C[C@]1(CCC(=O)N([C@H](C)C(=O)NC3CCC(C)CC3)CC1)O2 72328065 WZSFLVCHJWDJJY-MXYVETDGSA-N 426.557 3.795 0 40 IHAB COc1ccc(CN2CCC([C@@H]3CC=CCN(C)C3=O)CC2)cc1Cn1nc(C)cc1C 72371061 QEKPVTZKWCKYNI-DEOSSOPVSA-N 436.600 3.803 0 40 IHAB COc1ccccc1OCCc1cc([C@H]2CCN(C(=O)c3cn4ccc(C)cc4n3)C2)n[nH]1 72371679 PJCFAQHYQYMIFI-SFHVURJKSA-N 445.523 3.626 0 40 IHAB CC(=O)NCC(=O)N1CCC[C@H](c2nc(Nc3ccccc3F)n3c(C)c(C)sc23)C1 72390990 JBWVRDSFCAROPN-INIZCTEOSA-N 443.548 3.737 0 40 IHAB O=C(CCC(=O)N1CCC[C@H]1c1ccccc1Cl)N1CCN(c2ccccn2)CC1 95420334 RJOVAXJEDYCGGA-FQEVSTJZSA-N 426.948 3.528 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)N3CCC[C@H]3c3ncc[nH]3)cc2)c1 95458560 IFQDYAAKALJUCI-IBGZPJMESA-N 425.510 3.772 0 40 IHAB O=C(O)c1cc(N2CCSCC2)ccc1NS(=O)(=O)C1=Cc2ccccc2CC1 95958211 XEIIYBALQVQRAC-UHFFFAOYSA-N 430.551 3.667 0 40 IHAB O=C(C[C@H]1CC2(CCN(C(=O)N3CCCC3)CC2)Oc2ccccc21)NCc1ccco1 96243004 GCMPSRBSHWLXSL-IBGZPJMESA-N 437.540 3.903 0 40 IHAB CO[C@H]1CC[C@H](C(=O)N[C@@H](Cc2cc(O)nc(-c3cccnc3)n2)c2ccccc2)CC1 100221313 WSGVWDDSZXACBF-BWAGFHJFSA-N 432.524 3.849 0 40 IHAB CCOC(=O)C1=NN(c2ccccc2Cl)[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]12 101142231 BOJUQTZEHLILDF-AEFFLSMTSA-N 446.290 3.599 0 40 IHAB COC(=O)[C@@H]1c2ccccc2CCN1CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 108091365 NLGQBPSPAOZWAG-XXBNENTESA-N 449.532 3.791 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CCCN(C)S(=O)(=O)c2ccccc2)cc1Cl 219726478 JJRMUWYDQMPHMB-UHFFFAOYSA-N 438.933 3.556 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)[C@H](C)N(c2cccc(C)c2)S(C)(=O)=O)cc1 220137643 HYKHLQXQVSTELL-KRWDZBQOSA-N 432.542 3.745 0 40 IHAB Cc1cccc(NS(=O)(=O)c2ccc(NS(=O)(=O)Cc3ccc(F)cc3)cc2)c1 224549707 NPPDONLYPXZOIS-UHFFFAOYSA-N 434.514 3.877 0 40 IHAB Cc1cc(C)c2c(c1)N(CC(=O)NCCOc1ccccc1)S(=O)(=O)c1ccccc1-2 224558083 MGWBQDWKOFHQJM-UHFFFAOYSA-N 436.533 3.674 0 40 IHAB CCOC(=O)c1ccc(N(CC)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1Cl 224844952 DHJOBIYDYZOJDP-UHFFFAOYSA-N 425.890 3.503 0 40 IHAB CC1CCN(c2cc(N3CCC[C@@H](C)C3)nc(NC(=S)NCc3cccnc3)n2)CC1 225940252 FRBJKZIBYVFMQQ-GOSISDBHSA-N 439.633 3.831 0 40 IHAB CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)CN1CCCCCC1 257310269 UEKXVWINVXQXIV-AMVJKZIMSA-N 437.628 3.864 0 40 IHAB CCCn1cnc2sc(C(=O)N3[C@@H]4CN(C)[C@@H]5CCCC[C@H]3[C@]5(C)C4)c(C)c2c1=O 257322585 WGPBIABJNFKULI-OIMWQHCXSA-N 428.602 3.654 0 40 IHAB CCOc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2C)C1 408654903 GYRWVVUKBTUQCC-OAHLLOKOSA-N 430.888 3.582 0 40 IHAB COC(=O)c1ccc(NC(=O)c2cccc(NC(=O)c3c(OC)cccc3OC)c2)cc1 408688782 XMHIYMRTKFVHJH-UHFFFAOYSA-N 434.448 3.995 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3Br)C2)cc1 409241622 KODVZARTGGRAOQ-OAHLLOKOSA-N 437.359 3.797 0 40 IHAB O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)N1CCc2ccccc2C1 524731284 RLMXAVAKHLGGCW-RUZDIDTESA-N 437.499 3.776 0 40 IHAB biogenic C[C@H]1CN(C(=O)c2cccc(Nc3nn[nH]n3)c2)C[C@H](c2cccc(C(F)(F)F)c2)O1 1141359095 NWHSABCHZCPBFC-YVEFUNNKSA-N 432.406 3.564 0 40 IHAB O=C(c1cc(C2CCOCC2)ncn1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 1888964210 GWXIZKNPEHXVOE-UHFFFAOYSA-N 442.563 3.918 0 40 IHAB O=S(=O)(c1ccccc1)c1nc(-c2ccccc2Br)oc1N1CCOCC1 904462 YSFQRFLANDBBFT-UHFFFAOYSA-N 449.326 3.774 0 40 IHAB CCc1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(Br)cc3)CC2=O)cc1 990247 NFIROVHUDJKRFY-INIZCTEOSA-N 430.298 3.791 0 40 IHAB CCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(CC)cc(=O)oc2c1 2092277 KFVRFXPTZCOWKF-HXUWFJFHSA-N 443.521 3.716 0 40 IHAB biogenic COCCNC(=O)COC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12 2629495 CDIRHSDTWPFJOE-UHFFFAOYSA-N 443.297 3.584 0 40 IHAB Cc1nn(-c2ccccc2)c2sc(C(=O)OCC(=O)NCc3ccc4c(c3)OCO4)cc12 3218220 HJRKNTIOBXUJIM-UHFFFAOYSA-N 449.488 3.597 0 40 IHAB CCOc1cc(C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)cc(OCC)c1OCC 4196044 FFYKTEGGAUQFLE-UHFFFAOYSA-N 445.468 3.708 0 40 IHAB O=S(=O)(NCc1ccc2c(c1)OCO2)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 8674496 YQWOJSFBXVJHGH-UHFFFAOYSA-N 427.322 3.931 0 40 IHAB O=C(C[C@@H](CNS(=O)(=O)c1ccccc1)c1ccccc1)OCC(=O)c1ccccc1 8869970 JCWHCTLMSYXTAF-NRFANRHFSA-N 437.517 3.565 0 40 IHAB Cc1cccc(NC(=O)C[C@@H]2C(=O)N[C@@H]3CCCC[C@@H]3N2C(=O)c2ccccc2Cl)c1 9059132 ADMBSTHGQDPLIL-QHAWAJNXSA-N 439.943 3.929 0 40 IHAB O=C(NC1=NCCS1)c1ccc(Cl)c(S(=O)(=O)N[C@@H]2CCCc3ccccc32)c1 9171399 FOZNRUBLBFCBPO-QGZVFWFLSA-N 449.985 3.529 0 40 IHAB Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NC(=O)C(=O)NCc1ccncc1 9423696 OVYFLYYJOHECBL-UHFFFAOYSA-N 432.311 3.505 0 40 IHAB COc1ccc(-c2nnc(SCC(=O)NC34CC5CC(CC(C5)C3)C4)o2)cc1OC 9562513 YUTCSGWKBXMGFN-UHFFFAOYSA-N 429.542 3.931 0 40 IHAB CCn1c(SCc2ccc(C)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 9645399 FWBBTIRWBFSDQX-UHFFFAOYSA-N 431.583 3.678 0 40 IHAB CCc1ccc(-c2n[nH]c(SCC(=O)Nc3cc(Cl)ccc3-n3cncn3)n2)cc1 9780299 BZFYHWXHIVKOPW-UHFFFAOYSA-N 439.932 3.999 0 40 IHAB COc1ccccc1CNC(=O)c1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)c1ccccc1 10326221 CZFUCBCXBLCXBB-QGZVFWFLSA-N 436.533 3.765 0 40 IHAB O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCC(NS(=O)(=O)c2cccs2)CC1 11451179 AHQUVKOXAFJHDR-UHFFFAOYSA-N 434.514 3.730 0 40 IHAB CC(=O)Nc1ccc(C(=O)NCCNC(=O)CC(c2ccccc2)c2ccccc2)cc1 11739586 OTUDZIPGMWMJJP-UHFFFAOYSA-N 429.520 3.713 0 40 IHAB COC(=O)c1sc2ccccc2c1S(=O)(=O)N(C)CC(=O)Nc1c(C)cccc1C 12415190 OWKJWMILGAVFNI-UHFFFAOYSA-N 446.550 3.564 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)[C@@H]1COc2ccc(Cl)cc2C1 12630983 SFGDUHPBSICNJG-ZDUSSCGKSA-N 449.941 3.787 0 40 IHAB CCOc1ccc(OCC)c(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1 12639060 DTELWXOZOPZMLU-UHFFFAOYSA-N 446.569 3.832 0 40 IHAB COc1ccc(-c2noc(CN(C)C(=O)COc3ccc(Br)cc3)n2)cc1 12654543 PTEXSKLQQXFAHD-UHFFFAOYSA-N 432.274 3.545 0 40 IHAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)cc1-n1cccc1 12735568 QPIRPHDZUFQVLH-UHFFFAOYSA-N 437.443 3.879 0 40 IHAB Cc1ccccc1CCN(C(=O)c1csnn1)[C@@H](C(=O)NC1CCCC1)c1ccncc1 12872665 OODMPEVVDTZJIN-JOCHJYFZSA-N 449.580 3.727 0 40 IHAB O=C(C[C@H]1SC(N2CCCCC2)=NC1=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 12949662 GSEZFYXNOYYMHZ-LJQANCHMSA-N 436.537 3.751 0 40 IHAB Cc1c(C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)sc2cccc(F)c12 12997205 HBFAIBROXKZHPE-UHFFFAOYSA-N 429.492 3.884 0 40 IHAB COc1ccc(Cc2nn(CN(C)CC(=O)Nc3ccc(Cl)cc3)c(=S)o2)cc1 13072596 NYLOYDZQANSZRT-UHFFFAOYSA-N 432.933 3.986 0 40 IHAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)COC(=O)c1ccc(Cl)cc1O 13149709 UGPWIWAQGKVNFV-UHFFFAOYSA-N 447.793 3.885 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCCN3CCC(C)CC3)cc2C)cc1 13669173 GGDZTULUXXUQSG-UHFFFAOYSA-N 443.613 3.956 0 40 IHAB COc1ccc(Cl)cc1N([C@@H](C)C(=O)NCCCc1ccc(C)cc1)S(C)(=O)=O 13671035 WGWYZPKBLUYBBD-INIZCTEOSA-N 438.977 3.561 0 40 IHAB COc1ccc(-c2noc(CN3CCN(C(=O)c4ccc5ccccc5c4)CC3)n2)cc1 14489079 LUMSCAWZXJQLQS-UHFFFAOYSA-N 428.492 3.856 0 40 IHAB Cc1ccc(CN2C[C@H](C(=O)OCC(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)cc1 15303421 NHHWLRDNSGYHFA-OAHLLOKOSA-N 435.307 3.832 0 40 IHAB CCOc1ccc(-n2c(SCC(=O)OC)nc3sc4c(c3c2=O)CCCC4)cc1 16713473 QHOIPNGCOBNXPR-UHFFFAOYSA-N 430.551 3.990 0 40 IHAB COc1ccc2c(CC(=O)Nc3nc(-c4ccc(CNC(C)=O)o4)cs3)coc2c1 16724129 IOMUASWLNYAIBM-UHFFFAOYSA-N 425.466 3.975 0 40 IHAB O=C(NC1CC1)c1cc(S[C@H](C(=O)N2CCOCC2)c2ccccc2)nc2ccccc12 17275939 KGUMXAIRWBXJPR-QHCPKHFHSA-N 447.560 3.819 0 40 IHAB COc1ccccc1C(=O)N1CCO[C@@](Cc2cccc(-c3ccc(C)cc3)c2)(C(N)=O)C1 19212732 ZQQIVUWIKJPEQQ-HHHXNRCGSA-N 444.531 3.610 0 40 IHAB CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)Cn2cccn2)C1 19449295 HNTBWIHEGKFYLU-AREMUKBSSA-N 430.552 3.536 0 40 IHAB CCCNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(Cc2cnn(C)c2)C1 19503575 HCUQHCBLKUXLEY-SANMLTNESA-N 431.584 3.833 0 40 IHAB COc1ccc([C@H]2N(C(=O)c3cc4ccc(OC)cc4[nH]3)CCC[C@]23CCC(=O)N3)cc1 19557412 BGNJYXHQLMOZBW-NOZRDPDXSA-N 433.508 3.811 0 40 IHAB COc1ncc([C@]2(O)CCC[C@H]3CN(Cc4c(Cl)cccc4Cl)C[C@@H]32)c(OC)n1 19594813 AOOHBQGNRSBNOQ-UYTHQXMGSA-N 438.355 3.920 0 40 IHAB CCS(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1 19886491 PGJONBJEEVJQCK-UHFFFAOYSA-N 437.521 3.631 0 40 IHAB Cc1c(C(=O)Nc2ccc(C(=O)OC(C)C)cc2)nnn1-c1ccc(OC(F)F)cc1 19911031 ZXMXJRGZTGKUPC-UHFFFAOYSA-N 430.411 3.995 0 40 IHAB COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)Nc1nc(C)c(C)s1 21359815 HRXZEQWZUBWJGZ-UHFFFAOYSA-N 443.550 3.772 0 40 IHAB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)S(=O)(=O)c1ccc2c(c1)CCC2 21473649 BMRBLJZZULXYTJ-UHFFFAOYSA-N 426.460 3.632 0 40 IHAB CCc1cccc(CC)c1NC(=O)CSc1nnc(-c2ccc(OC)cc2OC)n1N 21576117 JYJABQXHDICQEK-UHFFFAOYSA-N 441.557 3.532 0 40 IHAB COc1cccc(C(=O)Nc2ccc(C)c(OCc3cc(=O)n4c(ncn4C(C)C)n3)c2)c1 21797186 SINFZZPPGAJMJP-UHFFFAOYSA-N 447.495 3.620 0 40 IHAB Cc1ccc(C)c([C@H](C)NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1 22334476 QNQDXHXNBJMKFB-HNNXBMFYSA-N 428.476 3.966 0 40 IHAB C[C@@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F)c1ccc(F)cc1 22621470 QIWVAKXXLGRKRW-IERDGZPVSA-N 444.503 3.732 0 40 IHAB COc1cc([C@@H](c2sc3nc(C)nn3c2O)N2CCC(C)CC2)cc(OC)c1OC 23157958 MBCKHKWCAOWTED-KRWDZBQOSA-N 432.546 3.652 0 40 IHAB Cc1sc2nc(CN3CCOCC3)nc(N[C@@H](CN(C)C)c3ccccc3)c2c1C 23936933 TXWAGWFRAIUVLI-IBGZPJMESA-N 425.602 3.855 0 40 IHAB CCCN(Cc1ccccc1)C(=O)c1cc(C(C)C)nc2c1c(=O)[nH]c(=O)n2CC(C)C 24443434 KQUPWNBPWMHXSK-UHFFFAOYSA-N 436.556 3.917 0 40 IHAB COCCCN1C(=O)c2ccc(C(=O)N3CCCc4cc(C(F)(F)F)ccc43)cc2C1=O 24469168 GRIYYOYYEXWYAE-UHFFFAOYSA-N 446.425 3.931 0 40 IHAB COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)N(C)Cc1ccc2c(c1)OCO2 24830610 RLNCMOBYDATGQF-UHFFFAOYSA-N 433.386 3.901 0 40 IHAB CN(CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2)Cc1ccc(C(F)(F)F)cc1 26850166 SJKYZOZERICGSV-UHFFFAOYSA-N 437.418 3.647 0 40 IHAB CCCCCn1c(CCC(=O)N[C@H]2CCCC[C@H]2C)nc2c1c(=O)[nH]c(=O)n2CCCC 26978701 UTEGXHZKUTWGQM-MSOLQXFVSA-N 445.608 3.504 0 40 IHAB CCOc1ccccc1CNC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1C 30753577 AHRQYVCLUXQMQS-UHFFFAOYSA-N 430.570 3.744 0 40 IHAB O=C(CCCCCn1cnc2ccccc2c1=O)N1CCN(c2ccc(Cl)cc2)CC1 32093186 NXBOYSTUNZCIHK-UHFFFAOYSA-N 438.959 3.959 0 40 IHAB CC(C)CC(=O)Nc1ccc2c(c1)nc1n2CC(=O)N(C[C@@H]2CCCN3CCCC[C@H]23)C1 32124187 JQYBOYAVXUNEFG-GHTZIAJQSA-N 437.588 3.628 0 40 IHAB biogenic Cc1cc(I)cnc1NC(=S)NC(=O)c1ccc(Cl)cc1 32125219 KLSHWMYZTAUGLB-UHFFFAOYSA-N 431.686 3.775 0 40 IHAB Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(CCCN1CCOCC1)[C@H]3c1ccccc1 32622232 OSMDPLIJPSJAPL-QHCPKHFHSA-N 432.520 3.677 0 40 IHAB CCN(CC)[C@H](CNC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1)c1cccc(OC)c1 32902751 ZGRJLPAKSONVKV-JNCYCUAHSA-N 442.556 3.934 0 40 IHAB C[C@@H](OC(=O)[C@H]1CCCN(c2ccc(Cl)nn2)C1)C(=O)Nc1ccc(F)cc1Cl 32913719 NGCIYIZNTYPTLE-NEPJUHHUSA-N 441.290 3.709 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3c(Cl)c4ccccc4n3C)CC2)c(C)c1 32916100 AGFQFVSKBJTZPE-UHFFFAOYSA-N 445.972 3.595 0 40 IHAB CCn1c(COc2ccc(C)cc2OC)nnc1SCC(=O)N[C@@H]1CCCC[C@H]1C 34764850 WSALOANCIVOJFF-IAGOWNOFSA-N 432.590 3.981 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](C)c3cc(C)c(C)cc3C)C2)cc1 36128046 JEIXBKDWNWIUEG-WOJBJXKFSA-N 444.597 3.899 0 40 IHAB CN(CC(=O)N1c2ccccc2OC[C@H]1c1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 36383192 MHACSOBOINOYLI-QFIPXVFZSA-N 440.503 3.522 0 40 IHAB COCCn1c(=S)[nH]c(=O)c2c(C(=O)O)cc(-c3ccc(Cl)c(Cl)c3)nc21 36617233 YYBZOUJLZTZVAU-UHFFFAOYSA-N 426.281 3.772 0 40 IHAB C/C(=C/C(=O)Nc1ccc(SCC(=O)Nc2c(F)c(F)cc(F)c2F)cc1)C(=O)O 37019045 OIWXVJBLCQQRHS-TWGQIWQCSA-N 442.390 3.943 0 40 IHAB CS(=O)(=O)N1C[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)Oc2ccccc21 38753077 PADFVZLMTITOOI-HNNXBMFYSA-N 434.823 3.525 0 40 IHAB Cc1ccc([C@@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)cc1 44933576 YCFBEXYENZOIHE-IIBYNOLFSA-N 430.570 3.697 0 40 IHAB CCN(CC)c1nc2sc(C(=O)Oc3ccc(NS(C)(=O)=O)cc3)cc2s1 48302153 QVUFXCOFMIATRK-UHFFFAOYSA-N 425.557 3.795 0 40 IHAB COc1cc(OC)c([C@H]2CC(=O)N(c3ccccc3)c3c2sc(=O)n3C)cc1OC 49546784 XBRRYBRBLQIQHR-OAHLLOKOSA-N 426.494 3.673 0 40 IHAB Cc1ccc(NC(=O)Cn2c(=O)n(-c3ccccc3F)c(=O)c3sccc32)c(Cl)c1 57490464 LEPRWZCCZKTUGP-UHFFFAOYSA-N 443.887 3.954 0 40 IHAB COCCC(=O)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc(OC(C)C)cc2)C1 57774135 HZIKANNGKYALMR-BWKNWUBXSA-N 425.573 3.975 0 40 IHAB COC(=O)[C@@H](C)CN(Cc1ccccc1)C(=O)/C=C/c1cc(Cl)c2c(c1)OCCO2 58167607 PZYYAUITYHAUPD-FDMDGMSGSA-N 429.900 3.962 0 40 IHAB CCOc1ccc(Br)cc1S(=O)(=O)NC(=O)CCc1cccc(Cl)c1 59368801 DJXUGSUHTABMEU-UHFFFAOYSA-N 446.750 3.939 0 40 IHAB COC(=O)c1ccccc1NC(=O)Cn1ccc2ccn(Cc3cccc(C)c3)c2c1=O 62007338 WLGUOVFRPHQTSC-UHFFFAOYSA-N 429.476 3.585 0 40 IHAB COC(=O)CCCCCC[C@H]1[C@@H](O)C[C@@H](O[C@@H]2CCCCO2)[C@@H]1COC(C)(C)OC 66331787 BCCJZUBUYPSVEN-OUUKCGNVSA-N 430.582 3.808 0 40 IHAB CCN1CC[C@]2(CCC1=O)C[C@@H](NC(=O)CCn1ncc3ccccc31)c1ccccc1O2 72327834 LJJIACRSOUJVMC-QFQXNSOFSA-N 446.551 3.838 0 40 IHAB Cc1cc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(F)c(C)c2)[nH]n1 72328306 YORYVBCLEDAJCQ-UHFFFAOYSA-N 429.502 3.657 0 40 IHAB COc1ccccc1NC(=O)Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2ccccc21 73679606 UHCPSZKZDXJHJX-UHFFFAOYSA-N 449.894 3.512 0 40 IHAB O=C(CNC(=O)c1ccc(F)cc1I)Nc1cccc2ccccc12 89873245 OWQZHFWTUVBNCG-UHFFFAOYSA-N 448.235 3.952 0 40 IHAB CC(C)CNC(=O)C[C@H]1CC2(CCN(C(=O)C3CCOCC3)CC2)Oc2ccccc21 96053553 YEJSPCHEYWQALB-FQEVSTJZSA-N 428.573 3.503 0 40 IHAB COC(=O)c1nc(NC(=O)CCCc2nnc3ccccn23)sc1Cc1ccccc1 96116938 STPOJVIJLGDWIT-UHFFFAOYSA-N 435.509 3.525 0 40 IHAB O=C1[C@@H]2[C@@H](C(=O)N1c1cccc(Br)c1)N1CCCN1[C@H]2c1ccc(Cl)cc1 100166041 OQJKGILEFIBHHE-BZSNNMDCSA-N 446.732 3.638 0 40 IHAB COc1ccc2[nH]cc(CCN[C@H]3CC(=O)N(c4ccccc4C(F)(F)F)C3=O)c2c1 100205505 ANVOYXQBOQUTPT-SFHVURJKSA-N 431.414 3.660 0 40 IHAB Cc1ccc(N2C(=O)C[C@@H](Sc3ccc(NC(=O)CCC(=O)O)cc3)C2=O)cc1C 113562372 OQUCRYBCYKXOKZ-GOSISDBHSA-N 426.494 3.531 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](C)c3cc(C)ccc3C)C2)cc1 113945246 YVLSMUQXMMDFPV-RTBURBONSA-N 430.570 3.590 0 40 IHAB CCOc1ccc(S(=O)(=O)NCc2ccc([C@H](O)c3ccsc3)s2)cc1F 207967344 JGDVBKVSQFANKQ-GOSISDBHSA-N 427.544 3.908 0 40 IHAB CCOc1ccc(CNC(=O)CCCN(c2cccc(C)c2)S(C)(=O)=O)cc1OCC 219618383 QOMZFAOIEJXQAR-UHFFFAOYSA-N 448.585 3.655 0 40 IHAB Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)N1c2ccccc2C[C@@H]1C 222765566 DIXYYSBEMCMJJQ-SFHVURJKSA-N 442.581 3.963 0 40 IHAB CC(=O)Nc1ccc(NC(=O)c2ccc(CN(C)S(=O)(=O)c3ccc(C)cc3)o2)cc1 223405659 RMEVVNTZYIEQOZ-UHFFFAOYSA-N 441.509 3.619 0 40 IHAB Cc1cc(Cl)ccc1N(CC(=O)Nc1ccc(OC(F)(F)F)cc1)S(C)(=O)=O 224862442 XTASUXIDDNAMKV-UHFFFAOYSA-N 436.839 3.952 0 40 IHAB O=C(NCCCc1ccc(F)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 225551796 OQRFSVIKUTUACR-QGZVFWFLSA-N 438.952 3.629 0 40 IHAB CCOC(=O)c1ccc(NC(=S)NCc2ccc(CN3CCCC3=O)cc2)c(C)c1 225649625 CSXARCNQGFKYCL-UHFFFAOYSA-N 425.554 3.781 0 40 IHAB O=C(c1ccnc(O[C@H]2CCSC2)c1)N1CCN(c2nsc3ccccc23)CC1 225724435 VNBXVZJDYWRDSY-INIZCTEOSA-N 426.567 3.538 0 40 IHAB Cc1cc(C(=O)N(C)C)nc([C@@]2(C)CCCN(Cc3cccc(Oc4ncccn4)c3)C2)n1 257214794 CNLMKMINRQEUBX-VWLOTQADSA-N 446.555 3.623 0 40 IHAB CNC(=O)c1cc([C@H]2CC[C@H](CNC(=O)c3n[nH]c4c3CCCC4)CC2)nc2ccccc12 257253702 JZYOPOKJYVUJKR-QAQDUYKDSA-N 445.567 3.900 0 40 IHAB O=C(c1ccccc1-c1ccccc1)N1C[C@@H]2OCC(=O)N(Cc3ccc(F)cc3)[C@H]2C1 257291558 QHNMHDJZRKPJOE-ZEQRLZLVSA-N 430.479 3.745 0 40 IHAB O=C(c1ccccn1)N1CCC2(CC1)Oc1ccccc1-c1c2cnn1CCN1CCCC1 306140174 UMGZVSPSSUXOCL-UHFFFAOYSA-N 443.551 3.565 0 40 IHAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1C 408620253 IYJIWGVTEYIYQG-ZDUSSCGKSA-N 430.448 3.718 0 40 IHAB CCS(=O)(=O)N(CC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCCO2 408703127 NJYGQWSZPBATDP-UHFFFAOYSA-N 445.324 3.559 0 40 IHAB Cc1c(Cl)cccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(OC(C)C)cc2)C1 409134347 NXTKJYVUEGNVGI-INIZCTEOSA-N 444.915 3.970 0 40 IHAB COc1ccc(OC)c(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)c1 409180915 USXQCVOCALUAEV-YBFXNURJSA-N 426.494 3.996 0 40 IHAB CCCN1CCN(C(=O)C2CCNCC2)C[C@H](Cc2cccc(-c3cccc(C)c3)c2)C1=O 585172737 CXISGXJLIJVTOY-SANMLTNESA-N 447.623 3.901 0 40 IHAB Cc1nc(CN2CC3(CCN(C(=O)c4cccc(OC(C)C)c4)CC3)CC2=O)cs1 2055796106 WMLVAZHOCWRGGT-UHFFFAOYSA-N 427.570 3.894 0 40 IHAB O=C([C@@H]1C[C@@H]1c1ccc(Cl)cc1)N1CC[C@H]2C[C@H](CN3CC4(CCCCO4)C3)O[C@H]2C1 2056225838 CTDHASZEJCHPEF-VFMKGFAKSA-N 445.003 3.704 0 40 IHAB CCn1c(CCNC(=O)c2ccc(C)cc2)nnc1SCC(=O)Nc1cccc(C)c1 634006 JYRKXPWFMBKJDE-UHFFFAOYSA-N 437.569 3.618 0 40 IHAB COc1ccc(Br)cc1[C@H]1C(C(=O)Nc2ccccc2)=C(C)Nc2ncnn21 959031 WQRNTQINUCKGPL-SFHVURJKSA-N 440.301 3.977 0 40 IHAB Cc1ccc(N(C(=O)c2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]2OC(=O)c2ccccc2)cc1 1235583 BUJCHVLKNJBRLM-PKTZIBPZSA-N 449.528 3.664 0 40 IHAB Cc1nc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c2c3c(sc2n1)CCCC3 1332491 HGZDNIAIAKWKRX-UHFFFAOYSA-N 446.573 3.529 0 40 IHAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](c3nc(-c4ccc(C)cc4)no3)C2)cc1 1363360 CMHNZGCQZPYFTD-GOSISDBHSA-N 440.525 3.572 0 40 IHAB O=C1CCC(=O)N1c1nc2n(n1)[C@H](c1ccc(F)cc1)C[C@@H](c1ccc(Cl)cc1)N2 2407053 YPYGXEZQTLACRU-IRXDYDNUSA-N 425.851 3.870 0 40 IHAB O=C(COC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)Nc1ccc2c(c1)CCC2 3408519 KELPQEAOPSRSOT-UHFFFAOYSA-N 439.471 3.670 0 40 IHAB O=C(OCC(=O)N1CCc2ccccc2C1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 3489323 YVWFKBHKEXPJTG-UHFFFAOYSA-N 438.487 3.676 0 40 IHAB Fc1ccc(N2CCN(c3nc4ccccc4c4nc(-c5cccnc5)nn34)CC2)cc1 8604920 KEBAADRYFPXHPY-UHFFFAOYSA-N 425.471 3.805 0 40 IHAB Cc1ccc(-c2nn(CC(=O)Nc3ccc4c(c3)OCO4)c(=O)c3nc(C)sc23)cc1 8955111 ZBLOQTAVKLKDTL-UHFFFAOYSA-N 434.477 3.504 0 40 IHAB COc1cc(-c2nnc(S[C@H]3CCOC3=O)n2-c2ccccc2F)cc(OC)c1OC 9119601 WQGOOIUTXXCBKA-KRWDZBQOSA-N 445.472 3.507 0 40 IHAB Cc1cccc(-n2c(S[C@@H](C)c3nc4ccccc4c(=O)[nH]3)nnc2N2CCOCC2)c1 9220826 BODOPHWNOIWCRC-INIZCTEOSA-N 448.552 3.502 0 40 IHAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)C23CC4CC(CC(C4)C2)C3)c1 9283292 QGOMGWCMPQDFGZ-UHFFFAOYSA-N 439.961 3.533 0 40 IHAB COCCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1c[nH]c2ccccc12 9382316 SVBZUHMJAOEBMX-UHFFFAOYSA-N 425.489 3.943 0 40 IHAB COc1ccc([C@@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2C(=O)c2ccco2)cc1 9392189 VMUBVHRGSBLQQW-FQEVSTJZSA-N 439.493 3.651 0 40 IHAB Cc1ccccc1-n1nc2c(c1NC(=O)c1cccc(Br)c1)C[S@](=O)C2 9413533 CWKUXPYJEWKKMQ-AREMUKBSSA-N 430.327 3.958 0 40 IHAB C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)[C@@H]1C 9439529 KCOWZJVWDSEXQU-CBGDNZLLSA-N 444.553 3.585 0 40 IHAB NC(=O)N[C@H](CC(=O)NCc1ccc2c(c1)OCO2)c1cccc(Oc2ccccc2)c1 9442142 QHAMEASUNXBXMN-HXUWFJFHSA-N 433.464 3.624 0 40 IHAB C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)Nc2cc(F)ccc2F)C1=O 9508376 KDCMZTNMQYZFNI-GOSISDBHSA-N 428.222 3.677 0 40 IHAB O=C(CN(Cc1cccs1)C[C@@H]1CCCO1)Nc1cc(Cl)ccc1-n1cncn1 9512162 KAAMDPIFKRLWED-INIZCTEOSA-N 431.949 3.602 0 40 IHAB Cc1csc(CNC(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2Cl)n1 9516585 BABOCNHMVJACBN-UHFFFAOYSA-N 439.921 3.975 0 40 IHAB CCOC(=O)C1CCN(C(=O)COC(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1 9612488 JGJYSDPGAJSQHN-UHFFFAOYSA-N 446.503 3.860 0 40 IHAB COc1ccc(C(C)(C)C)cc1NC(=O)[C@@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 9703359 AYJSWRQQADXTJO-SFHVURJKSA-N 441.553 3.545 0 40 IHAB O=C(CSc1nnnn1C1CCCC1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 9789187 MRKHWOVAWYXXDS-UHFFFAOYSA-N 440.504 3.910 0 40 IHAB COc1ccc([C@H]2N(C(=O)c3ccc(C)cc3)CCN2S(=O)(=O)c2ccccc2)cc1 10078619 QXIXUTXFVNVULJ-QHCPKHFHSA-N 436.533 3.849 0 40 IHAB Cc1nc(Nc2nc3ccccc3o2)ncc1C(=O)N1CCN(c2ccccc2F)CC1 10157606 UQOUTPHSIWTIKM-UHFFFAOYSA-N 432.459 3.771 0 40 IHAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 11450682 BTJYIKFURNNMCD-UHFFFAOYSA-N 442.990 3.528 0 40 IHAB CCOC(=O)[C@@]1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCCN(C(=O)c2ccco2)C1 12156749 QQIVZZFJNHHPPN-WZONZLPQSA-N 428.460 3.788 0 40 IHAB COc1cc(CN2CCN(c3ccc(C(C)=O)cc3)CC2)c(OC)cc1Br 12510393 SNEIOHZXTLYJOG-UHFFFAOYSA-N 433.346 3.991 0 40 IHAB CC(=O)c1ccc(N2CCN(C(=O)C[C@H]3Sc4ccc(Cl)cc4NC3=O)CC2)cc1 12555590 HJVZLQKCCPVOAX-HXUWFJFHSA-N 443.956 3.694 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2cccc(NC(=O)CNC(=O)c3cccs3)c2)cc1C 12561122 WQNBWVSKMFMOLT-UHFFFAOYSA-N 443.550 3.534 0 40 IHAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)OCC(=O)Nc1ccccc1OC(F)F 12566709 GZFVJIIKWKKQOR-UHFFFAOYSA-N 429.423 3.945 0 40 IHAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1 12683823 JTHKAIIYZHBIDV-QHCPKHFHSA-N 442.519 3.854 0 40 IHAB COc1ccc(COC[C@@H](O)Cn2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 12772988 JAIIBSITPMLBOS-FQEVSTJZSA-N 434.467 3.789 0 40 IHAB COC(=O)C1CCN(C(=O)COc2ccc(-c3ccc(Br)cc3)cc2)CC1 13001152 FKJOEAPMYFHOMF-UHFFFAOYSA-N 432.314 3.907 0 40 IHAB C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1cccc(Cl)c1 13002602 QCMARTFMRMNDNC-ZDUSSCGKSA-N 443.352 3.505 0 40 IHAB COc1cc(-c2noc([C@H]3CC(=O)N(c4ccc(C)c(F)c4)C3)n2)cc(OC)c1OC 13037046 WEZDCCXIRMABAC-AWEZNQCLSA-N 427.432 3.730 0 40 IHAB Cc1cc(C(=O)COC(=O)CNC(=O)c2ccc3ccccc3c2)c(C)n1-c1nccs1 13100896 NRRBWROFHNZOMD-UHFFFAOYSA-N 447.516 3.860 0 40 IHAB COc1ccc2cc([C@H](C)C(=O)N3CCN(CC(=O)Nc4ccc(F)cc4)CC3)ccc2c1 13112879 JSBPXYABWSKRPG-SFHVURJKSA-N 449.526 3.874 0 40 IHAB COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 14006516 GLPFEDNOMGNJOI-KRWDZBQOSA-N 432.542 3.666 0 40 IHAB O=C(COC(=O)Cc1coc2ccc3ccccc3c12)NCCc1ccc2c(c1)OCCO2 14780260 XKJGAZSANFKGTI-UHFFFAOYSA-N 445.471 3.802 0 40 IHAB CCc1cc2c3c(c(=O)oc2cc1OCC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1)CCCC3 15955277 DMIBOEQGDVBRAP-DWXRJYCRSA-N 439.552 3.767 0 40 IHAB biogenic COc1ccccc1CN(Cc1cccs1)C(=O)CCN1C(=O)c2ccccc2C1=O 16015034 SUQVNGXMDFZMPF-UHFFFAOYSA-N 434.517 3.972 0 40 IHAB Cc1nn(C(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)c2c1[C@@H]1[C@H](C2)C1(C)C 16034919 FQAZSDGOMZMZSF-KKSFZXQISA-N 432.501 3.553 0 40 IHAB CCOC(=O)c1c(NC(=O)CCS(=O)(=O)c2ccc(F)cc2)sc2c1CCCC2 16047976 NNGJRKLASFAMKG-UHFFFAOYSA-N 439.530 3.745 0 40 IHAB O=c1/c(=C/c2ccc(-c3ccc(F)cc3)o2)sc2nc([C@@H]3COc4ccccc4O3)nn12 16742410 UHUZLLOFSXCZRB-WKRCLWGVSA-N 447.447 3.610 0 40 IHAB CN(C)S(=O)(=O)c1ccc(-c2cs/c(=N\c3ccccc3)n2C[C@@H]2CCCO2)cc1 16806548 PLYMNMZIMYQOHX-ZABCRHKISA-N 443.594 3.878 0 40 IHAB COC(=O)[C@](NC(=O)Cc1ccccc1)(Nc1nc2ccc(F)cc2s1)C(F)(F)F 17028348 TYLDHSYLWFPOCY-SFHVURJKSA-N 441.406 3.638 0 40 IHAB O=C(NC(=S)NNc1ccccc1)c1cc(I)ccc1Cl 17097700 VVQPBPOGQDFJMX-UHFFFAOYSA-N 431.686 3.576 0 40 IHAB COc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]3ON2c2ccccc2)ccc1O 17969870 UELMKLYKBHWQJF-ZRBLBEILSA-N 430.460 3.760 0 40 IHAB Cc1ccc(COC(=O)c2ccc(Cl)c(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)cc1 18038193 SKRNDHZFWBDVMW-IYBDPMFKSA-N 437.945 3.803 0 40 IHAB CSCC[C@H](NC(=O)c1cc2ccc(F)cc2[nH]1)c1cc(=O)[nH]c(-c2ccccn2)n1 19573904 UUHDWFHKPHDFCB-HNNXBMFYSA-N 437.500 3.677 0 40 IHAB COc1ccc(CN2CCCc3c(C)nc([C@@H]4CCCN(Cc5ncc[nH]5)C4)nc32)cc1 19706585 XTHQOGQMXKPLND-HXUWFJFHSA-N 432.572 3.849 0 40 IHAB CC(C)c1ccc([C@@H](C)NC(=O)c2ccc(C3CCN(S(C)(=O)=O)CC3)nc2)cc1 19708117 XBTGEHLXYRGBBZ-QGZVFWFLSA-N 429.586 3.835 0 40 IHAB CC(C)Nc1n[nH]c2nc([C@H]3CCCN(C(=O)CN(C)Cc4ccccc4F)C3)ccc12 19742313 HRRHYSWCMDLWGI-SFHVURJKSA-N 438.551 3.755 0 40 IHAB Cc1ccc([C@@H](NC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)c2ccccc2)cc1 20456339 KFIYGAVQTJXANG-QHCPKHFHSA-N 437.565 3.757 0 40 IHAB CCc1ccc(N(CC(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)S(C)(=O)=O)cc1 22361761 VWRBIUGWMILCQH-HXUWFJFHSA-N 430.570 3.742 0 40 IHAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1C 22539465 QTOQBTZJLBVIEU-RBUKOAKNSA-N 432.586 3.863 0 40 IHAB O=C(NCc1ccccc1CN1CCOCC1)c1nccnc1-c1nc2ccccc2s1 23983473 HCNBZIFJWKJWPZ-UHFFFAOYSA-N 445.548 3.516 0 40 IHAB O=C(/C=C/c1c(Cl)nc2ccccn12)N1CCN(Cc2nc3ccccc3s2)CC1 23989862 OEUHJOFNZCYSHX-CMDGGOBGSA-N 437.956 3.955 0 40 IHAB COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)NCCc1cn2ccccc2n1 25530176 DWXVCARBOAFIKP-UHFFFAOYSA-N 429.402 3.520 0 40 IHAB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccn1)OCc1ccccc1 25535989 XHHPREQTUWBJTB-QHCPKHFHSA-N 428.492 3.717 0 40 IHAB C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)N1CCN(Cc2ccc(Cl)s2)CC1 27359170 SAHSYQWCOYPHOK-AWEZNQCLSA-N 429.981 3.791 0 40 IHAB Cc1c(C(=O)N2CCN(Cc3cccs3)CC2)cnn1-c1ccc(C(F)(F)F)cn1 30515281 NGPDQVVFJHSNFT-UHFFFAOYSA-N 435.475 3.614 0 40 IHAB C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCC[C@@H]3c3ccc(F)cc3)cc2)C[C@@H](C)O1 32901525 CBKATYDWOHSNHF-DRSNIGMVSA-N 446.544 3.601 0 40 IHAB O=C(NCc1cnn(-c2ccccc2)c1)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 32907973 AABHVWNSXAZVKQ-MCADVSAISA-N 432.568 3.696 0 40 IHAB CC(C)Cn1nnc(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)n1 33726334 GNJRUKKAGNIMLR-UHFFFAOYSA-N 429.358 3.977 0 40 IHAB CCOc1c(C)cc(S(=O)(=O)NCCCCN2CCO[C@H](c3ccccc3)C2)cc1C 36700444 MDQIGIZVHSUILP-QHCPKHFHSA-N 446.613 3.834 0 40 IHAB CCC[C@H](C)NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)[C@@H]1c1cccs1 36885038 HJZOANJVZHTLCR-ZJBJCVSYSA-N 428.554 3.999 0 40 IHAB CCc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(Nc3ccc(Cl)cc3)[nH]c(=O)c21 40399268 MHJURHMVZXVSBH-HNNXBMFYSA-N 437.887 3.794 0 40 IHAB Cc1ccc(N(CC(=O)NCCSCc2cccc(Cl)c2)S(C)(=O)=O)c(C)c1 44791191 MLFLOWCBFNSQES-UHFFFAOYSA-N 441.018 3.772 0 40 IHAB CC[C@@H](NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc(S(C)(=O)=O)cc1 44856964 HIIKNYLMPWCYKL-SIKLNZKXSA-N 432.561 3.709 0 40 IHAB CCOc1cccc(-c2noc(Cn3ncn4nc(-c5ccc(C)cc5C)cc4c3=O)n2)c1 49004331 SGBVTXVAXWDQKF-UHFFFAOYSA-N 442.479 3.672 0 40 IHAB CCOC(=O)C1=C(CN2CC=C(c3ccccc3)CC2)NC(=O)N[C@H]1c1cccc(OC)c1 57414734 BFZJRJMESKIQAQ-DEOSSOPVSA-N 447.535 3.656 0 40 IHAB Cc1sc(=O)n(CC(=O)NCc2ccc(-n3ccnc3)c(F)c2)c1-c1ccc(F)cc1 58434358 LZHXYXBLHTUEBR-UHFFFAOYSA-N 440.475 3.666 0 40 IHAB CCN(CC)CCCNC(=O)C1CCN(c2nc(C(F)(F)F)nc3ccccc23)CC1 58913336 UMSWBLVRQAIMHP-UHFFFAOYSA-N 437.510 3.713 0 40 IHAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3ccc(I)cc3)c2)n1 59006592 OKKGIOQTJKEKAE-UHFFFAOYSA-N 431.233 3.602 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2CC(C)C)cc1 67237634 ZDZDEMONVDWPCZ-UHFFFAOYSA-N 442.541 3.597 0 40 IHAB CCCOc1ccc(CNC(=O)c2cn(-c3ccc(-c4nc(CC)no4)cn3)cn2)cc1 71768342 ISMOIMWWAYMHDD-UHFFFAOYSA-N 432.484 3.599 0 40 IHAB Cc1nc2c(c(C)c1CC(=O)Nc1cc(-c3ccc(C(F)(F)F)cc3)no1)c(=O)[nH]n2C 72311543 XPGXXRUBAATAQS-UHFFFAOYSA-N 445.401 3.733 0 40 IHAB O=C(NCC1(c2ccc(Br)cc2)CCC1)[C@@H]1CCCN(c2ncccn2)C1 84613410 MFQMDRLAUXDXTR-MRXNPFEDSA-N 429.362 3.694 0 40 IHAB COc1cc(/C=C2/SC(=O)N(C)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C 98086304 NXTUJVPTOKXYRJ-YBFXNURJSA-N 426.494 3.996 0 40 IHAB Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)CC2)c(C)c1 105881799 XIKCJKLBEFBPSZ-XMGTWHOFSA-N 432.630 3.953 0 40 IHAB CCc1ccc(N(CCCC(=O)NCc2cccc(OC(C)C)c2)S(C)(=O)=O)cc1 113965176 GIWHQYSKAJNHBC-UHFFFAOYSA-N 432.586 3.899 0 40 IHAB CC[C@@H](C(=O)NCCSCc1ccco1)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O 220732413 LQBBVNLZEVOSOR-SFHVURJKSA-N 445.006 3.836 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)N2c3ccccc3C[C@@H]2C)CC1 222592419 WTLVXPPRXKEPPF-HNNXBMFYSA-N 448.972 3.727 0 40 IHAB Cc1cccc(CNC(=O)CCc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)c1 222861232 FRIBFZDUFCKZRT-UHFFFAOYSA-N 436.577 3.765 0 40 IHAB CNC(=O)c1cc(S(=O)(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)ccc1OC 223326425 ATWLHPFVYZIUBM-OAHLLOKOSA-N 434.558 3.535 0 40 IHAB CN(c1ccccc1)S(=O)(=O)c1ccc(SCC(=O)NCc2ccccc2)cc1 223397853 HNOWDHAHICKIEK-UHFFFAOYSA-N 426.563 3.920 0 40 IHAB CSc1nnc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)s1 224031411 YKACLBBGZMGSQD-UHFFFAOYSA-N 448.595 3.711 0 40 IHAB COCc1cccc(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCC(C)CC3)c2)c1 224165441 FFGLZQVLWSTFEQ-UHFFFAOYSA-N 432.542 3.515 0 40 IHAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCOc2ccc(Cl)cc2)cc1 225114295 RJMGMDVDUUROAM-QNGOZBTKSA-N 440.883 3.908 0 40 IHAB COc1ccc(NC(=O)CCc2nc(-c3ccc(I)cc3)no2)cc1 225838862 BLTUGFHADDWGBA-UHFFFAOYSA-N 449.248 3.921 0 40 IHAB O=C(Cc1cccc(C(F)(F)F)c1)N1CCC(n2c(O)nc3ccsc3c2=O)CC1 239611973 FGKLNTDXZIIRQO-UHFFFAOYSA-N 437.443 3.589 0 40 IHAB Cc1cccc(OC(C)(C)C(=O)N2CCO[C@@H](c3cc(-c4cnn(C)c4)cc(C)n3)C2)c1 257224395 FBQWZZJEXWZSMB-HSZRJFAPSA-N 434.540 3.856 0 40 IHAB COc1cccc(Cc2cnc([C@H]3CCCCN3C(=O)CN3CCCCCC3=O)o2)c1 257284107 PBGHNGPYHGJMGX-OAQYLSRUSA-N 425.529 3.730 0 40 IHAB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1cccs1 408642145 DORJAZPXTKQYOH-MBZVMHRFSA-N 442.924 3.673 0 40 IHAB Cc1ccccc1N1C[C@@H](C(=O)Nc2ccc(C(=O)Nn3c(C)ccc3C)cc2)CC1=O 408678756 CVOQYYWIOKPMRA-FQEVSTJZSA-N 430.508 3.789 0 40 IHAB COc1ccc(CC(=O)Nc2ccc3sc(C(=O)N4CCOCC4)cc3c2)cc1OC 408713246 PJNYHAURVDGZKD-UHFFFAOYSA-N 440.521 3.572 0 40 IHAB COc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(C)cc2)cc1 409058415 OLVXTTQVOQUABJ-WAUWHALJSA-O 448.930 3.673 0 40 IHAB CCCCNC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 409136637 XYMXPJJJDJDPMJ-UHFFFAOYSA-N 425.348 3.561 0 40 IHAB CNC(=O)C1(c2cccc(Nc3ncc(C)s3)n2)CCN(C(=O)C2CCCCC2)CC1 643551053 VVLANYUYLJTYAZ-UHFFFAOYSA-N 441.601 3.777 0 40 IHAB Cn1nccc1CCC(=O)N1CCN(Cc2ccccc2)CCCNc2ccccc2C1 643553214 CRUSGLDIZKMDJN-UHFFFAOYSA-N 431.584 3.699 0 40 IHAB CSc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccn2)c2ccc(C)cc2)cc1 656326 OKEJLVXUVMRJNS-UHFFFAOYSA-N 441.578 3.624 0 40 IHAB O=C(Nc1ccccc1)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 991161 HYUARXKEHDCTPT-UHFFFAOYSA-N 439.512 3.589 0 40 IHAB COc1ccc2[nH]cc(CCNC[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@@H](C)[C@@]5(C)[C@@H](O)[C@@H]43)c2c1 1820056 BJRTZLZJYHGJHK-HVZAGSAUSA-N 438.568 3.594 0 40 IHAB biogenic CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)N[C@H](C)c1ccccc1 2725828 MRLYEZNSKZARHJ-UZLBHIALSA-N 430.932 3.905 0 40 IHAB COc1ccc(-c2csc(Cc3nnc(N4CCOCC4)n3-c3ccccc3)n2)cc1 3264320 PZVUVNLAZSCGCQ-UHFFFAOYSA-N 433.537 3.827 0 40 IHAB COc1cccc(NC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccccc2)c1 4180471 HQWDDDSMSKUCJN-UHFFFAOYSA-N 440.521 3.846 0 40 IHAB CCOc1ccc2ncc(S(=O)(=O)c3ccc(C)cc3)c(N3CCN(C)CC3)c2c1 4313994 YWZJRWZLIMYAMG-UHFFFAOYSA-N 425.554 3.527 0 40 IHAB COc1ccc(OC)c(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccc(Cl)cc2)c1 6237897 MVWMWFCKIWZNRM-IBGZPJMESA-N 425.876 3.876 0 40 IHAB CCOc1ccc(CCN2C(=O)[C@H](C(=O)O)[C@H]3C[C@]2(C)Oc2ccccc23)cc1OCC 6601892 PBDBDEWPQZIOMJ-FKRCVWNDSA-N 439.508 3.852 0 40 IHAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@H]5O[C@@]5([C@H](C)OC(C)=O)[C@@]4(CO)CC[C@@H]32)C1 8382408 DWYNCPYCKLCUCM-KVQDYHKVSA-N 432.557 3.552 0 40 IHAB biogenic,in-vitro COc1ccccc1NC(=O)Cn1c2c(sc1=O)[C@@H]1c3ccccc3OC[C@@H]1CS2 8752056 OBURMPOKFSCBDA-YJYMSZOUSA-N 440.546 3.803 0 40 IHAB COc1ccc2nc(NC(=O)[C@H](NS(=O)(=O)c3ccc(C)cc3)C(C)C)sc2c1 9218634 ZROCNAYMWPYJCV-GOSISDBHSA-N 433.555 3.555 0 40 IHAB O=C(NCc1cc(Cl)c2c(c1)OCCCO2)C1CCN(C(=O)c2ccc(F)cc2)CC1 9256303 WTUDCVPQRFVKMD-UHFFFAOYSA-N 446.906 3.809 0 40 IHAB CCOc1ccc(C(=O)Nc2nnc(SCC(=O)Nc3ccc(OC)cc3)s2)cc1 9364695 YBZOPJNKLUOFDA-UHFFFAOYSA-N 444.538 3.929 0 40 IHAB Cc1cc(-n2c(C)cc(/C=C(/C(=O)N3CCOCC3)c3nc4ccccc4[nH]3)c2C)no1 9378223 ANOZXSMRAOGUES-XMHGGMMESA-N 431.496 3.666 0 40 IHAB COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2cc(Br)ccc2OC)cc1 9441371 UAAZODLOVPWVQC-GOSISDBHSA-N 446.301 3.733 0 40 IHAB CCOC(=O)[C@@H](Sc1nc(SC)nc2sc3c(c12)CC(C)(C)OC3)C(C)=O 9487881 DQYSRQZLDZRNDJ-ZDUSSCGKSA-N 426.585 3.877 0 40 IHAB Cc1[nH]c2ccc(C(=O)O[C@H](C)C(=O)NCC(=O)Nc3ccc(F)c(F)c3F)cc2c1C 9552324 MMAQDZORWRLFQV-GFCCVEGCSA-N 447.413 3.502 0 40 IHAB O=C(CSc1nnc2ccc(-c3cccnc3)nn12)Nc1ccc(C(F)(F)F)cc1 9829177 OVKSCKZRVNBLDV-UHFFFAOYSA-N 430.415 3.936 0 40 IHAB C[C@H](NC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)c1ccccn1 10557452 WWJQPAXTXOJXRS-ZDUSSCGKSA-N 442.368 3.667 0 40 IHAB Cc1ccn2c(=O)cc(COC(=O)c3cc(-c4ccco4)nc4c3cnn4C(C)C)nc2c1 11042839 KOKPJPIGTGZRAZ-UHFFFAOYSA-N 443.463 3.946 0 40 IHAB COc1cc2oc(=O)c(CC(=O)NC[C@@H]3CCCN4CCCC[C@H]34)c(C)c2cc1Cl 12296738 PMNRCGAXPRATRG-HNAYVOBHSA-N 432.948 3.687 0 40 IHAB biogenic Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)cc1C 12548565 BBVWOWKIVPTENL-UHFFFAOYSA-N 436.493 3.526 0 40 IHAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C[C@H]1OC(=O)c2ccccc21 12607134 ARRTZMJVAPAKRJ-HXUWFJFHSA-N 440.496 3.561 0 40 IHAB CCC(C)(C)n1nnnc1[C@@H](c1ccccc1F)N1CCN(c2cccc(OC)c2)CC1 13504178 HCLODEHMIYYCMV-JOCHJYFZSA-N 438.551 3.878 0 40 IHAB CCOc1ccc(Br)cc1S(=O)(=O)NCCc1cccc2cccnc12 14165733 CPQTXMJLJZDSAS-UHFFFAOYSA-N 435.343 3.917 0 40 IHAB CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(C)cc3)cc2Cl)CC1 14271645 SOADQUPXWNQEEH-UHFFFAOYSA-N 444.988 3.834 0 40 IHAB O=C(CCc1cnn(-c2ccccc2)c1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 15190758 UJPIXMTWWIFRKG-UHFFFAOYSA-N 438.553 3.618 0 40 IHAB CCCCc1cc(C[C@H]2CNCC[C@H]2CC(=O)N2CCN(Cc3ccccc3)CC2)no1 15673342 KCEUDJCZARJSLT-GOTSBHOMSA-N 438.616 3.520 0 40 IHAB biogenic,in-vitro COC(=O)c1cc(-c2ccco2)nc2c1c(-c1cccs1)nn2[C@H]1CCS(=O)(=O)C1 16850660 GYPASJQUZNYVQK-LBPRGKRZSA-N 443.506 3.566 0 40 IHAB COC(=O)c1csc(N2N=C3CC[C@H](c4ccccc4)C[C@@H]3[C@@]2(O)C(F)(F)F)n1 16957527 CRGDPZWFEPSJKV-ZJNRKIDTSA-N 425.432 3.941 0 40 IHAB O=C(CSc1nc2ccccc2c(=O)n1Cc1cccnc1)N1CCc2ccccc2C1 17743278 MRLDIDWXRDONHI-UHFFFAOYSA-N 442.544 3.517 0 40 IHAB CCCn1cc(C(=O)N2CC[C@](Cc3cccc(-c4ccccc4)c3)(C(=O)NC)C2)cn1 19526079 QJGCAMKRKGDKAC-AREMUKBSSA-N 430.552 3.781 0 40 IHAB COc1cccc(N(C)CCC(=O)N2CCC[C@@H](c3ccc(-c4cnn(C)c4)cn3)C2)c1 19687219 OYQXRZMRSWXXLH-HXUWFJFHSA-N 433.556 3.723 0 40 IHAB COCc1ccccc1CNC(=O)c1ccc([C@@H]2CCCN(Cc3ccccn3)C2)nc1 19706084 HOHXOUKJUAFKEB-JOCHJYFZSA-N 430.552 3.933 0 40 IHAB Cc1nc([C@@H]2CCCN(C(=O)C3(c4ccccc4)CCCC3)C2)nc2c1CCC(=O)N2C 19741259 JYHKFPVODVLXNO-LJQANCHMSA-N 432.568 3.912 0 40 IHAB Cc1ccc(CN2C(=O)CCc3c(C)nc([C@@H]4CCCN4C(=O)c4cccnc4)nc32)cc1 19743143 HFZOUNYSQJANHV-QFIPXVFZSA-N 441.535 3.945 0 40 IHAB CCN(CCC(=O)N1CC[C@H](c2cc(C(=O)NC)c3ccccc3n2)C1)c1ccc(F)cc1 19760918 STCZKCABDKSMGE-SFHVURJKSA-N 448.542 3.966 0 40 IHAB COc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)CCN3C(=O)c2cccnc2)cc1C 19819338 FATQJECREUKUHG-UHFFFAOYSA-N 437.521 3.711 0 40 IHAB Cc1nccn1-c1ccccc1CNC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 22529951 ARWZVDHXMYUSOG-UHFFFAOYSA-N 446.532 3.912 0 40 IHAB O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)N(Cc1ccco1)C1=CCCCC1 22930687 ZZDWUUVFZUIERG-UHFFFAOYSA-N 437.540 3.613 0 40 IHAB COc1ccc(CN(C)C(=O)c2ccccc2S(=O)(=O)C(C)C)cc1OC(F)F 25147101 CCECPOFFZKXRKK-UHFFFAOYSA-N 427.469 3.751 0 40 IHAB COC(=O)c1c(NC(=O)CN(C)Cc2cnn(-c3ccccc3)c2)sc2c1CCCC2 27550784 XWGANNHKSCZMKD-UHFFFAOYSA-N 438.553 3.670 0 40 IHAB CCOc1ccccc1N1CCN(C(=O)c2ccccc2I)CC1 28203618 CSHJDVHXAPWXCL-UHFFFAOYSA-N 436.293 3.652 0 40 IHAB COC(=O)c1cc(NC(=O)c2cc(OC)c(Br)c(OC)c2)c(F)cc1F 30821048 ZELURZXOARDISH-UHFFFAOYSA-N 430.201 3.783 0 40 IHAB COc1c2c(c(C)c3c1C(=O)OC3)O[C@@]1(C)CC[C@]3(C(C)(C)O)OC(=O)CC[C@]3(C)[C@H]1C2 31160803 HXJGKPQYSSUARF-OCFMFRIESA-N 444.524 3.631 0 40 IHAB biogenic,in-vitro Cc1ccc(NC(=O)CS[C@@H](C)C(=O)O[C@H](C)C(=O)N(C)Cc2ccccc2)cc1 32738654 VAPJPRWWWREPBS-MSOLQXFVSA-N 428.554 3.646 0 40 IHAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc(Cl)ccc2N2CCCC2)C1=O 32970843 NPIKUFTZJXZHNM-QHCPKHFHSA-N 440.931 3.736 0 40 IHAB O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 38870017 SJZLVFSKRGLGTE-PZJWPPBQSA-N 439.531 3.585 0 40 IHAB O=C(c1ccc(=O)n(CCOc2ccccc2)n1)N1CCSc2ccc(Cl)cc21 40071143 DYWSDDUHMMJEEN-UHFFFAOYSA-N 427.913 3.728 0 40 IHAB Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NCc1ccc2c(c1)OCO2 40142812 RZLJQLOKGWBYKN-UHFFFAOYSA-N 428.286 3.910 0 40 IHAB CCc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccc(Cl)cc4)[nH]c(=O)c32)cc1 40399266 NSHBVYZBKWJRDV-INIZCTEOSA-N 437.887 3.794 0 40 IHAB CCn1nc(-c2ccc(C)c(S(=O)(=O)N(C)c3ccccc3)c2)c2c(c1=O)CCCC2 46027566 KXRQAIMJRXEWFC-UHFFFAOYSA-N 437.565 3.943 0 40 IHAB O=C(Nc1cccc(NC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)c1)c1cccs1 48332054 UODDRSGKJLMSFT-INIZCTEOSA-N 426.542 3.867 0 40 IHAB COc1ccc(NC(=O)Cn2cc(C(=O)Nc3ccccc3)c(=O)c3ccc(C)nc32)cc1 49002019 NZCCIQSLUABKQI-UHFFFAOYSA-N 442.475 3.605 0 40 IHAB Cc1ccc(C)c(NC(=O)Cn2cc(C(=O)N3CCC(C)CC3)c(=O)c3ccc(C)nc32)c1 49002244 JIUKVKAGJYSUJX-UHFFFAOYSA-N 446.551 3.833 0 40 IHAB CCN(c1ccsc1C(=O)NCc1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1 49004219 AOKKTFCMCQHORS-UHFFFAOYSA-N 444.534 3.622 0 40 IHAB O=c1ccn(CN2CCN(Cc3ccccc3F)CC2)c2c(OC(F)(F)F)cccc12 58158568 DBMNXMQIIHDHML-UHFFFAOYSA-N 435.421 3.815 0 40 IHAB C[C@@H](Oc1ccc(C(=O)NCc2ccccc2CN2CCN(C)CC2)cn1)c1ccccc1 65551333 GCEDOTLCKUFXOD-OAQYLSRUSA-N 444.579 3.899 0 40 IHAB COc1ccc(-c2nc(C)cc(=O)n2CC(=O)Nc2ccc(Br)c(C)c2)cc1 67198660 KMLOTISNYGMKNT-UHFFFAOYSA-N 442.313 3.937 0 40 IHAB CSc1cccc(NC(=O)CN2C(=O)N[C@H](c3cc(C)ccc3C)C3=C2COC3=O)c1 67288782 IXIGGANYWZKDNX-OAQYLSRUSA-N 437.521 3.541 0 40 IHAB Cc1cc(OCC(=O)NCCn2cnc(-c3ccc(F)cc3)cc2=O)cc(C)c1Cl 70637539 LFOBNOAHZZTMQD-UHFFFAOYSA-N 429.879 3.515 0 40 IHAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O 71844176 NFGYQCLKRPEOMK-DNRQZRRGSA-N 437.515 3.778 0 40 IHAB COc1ccc(OC)c(CN2CCN(c3c(F)cccc3[C@H](O)c3nccs3)CC2)c1 72340571 DEARZKLVWQNAFB-QFIPXVFZSA-N 443.544 3.703 0 40 IHAB CC(C)Nc1n[nH]c2nc([C@@H]3CCCN3C(=O)c3cccc(CN4CCCC4=O)c3)ccc12 72374561 MZOMUIKTEDFVKT-NRFANRHFSA-N 446.555 3.878 0 40 IHAB COc1cc2c3cnn(CN4CCC(c5ccccc5)CC4)c(=O)c3n(C)c2cc1OC 79486286 LVASLKTXYIRGJB-UHFFFAOYSA-N 432.524 3.743 0 40 IHAB O=C(Nc1c(F)cc(Cl)cc1Cl)C1CCN(S(=O)(=O)c2cccnc2)CC1 95452373 XQMRJTQVRSQXTR-UHFFFAOYSA-N 432.304 3.567 0 40 IHAB O=C(NCC1CCN(C(=O)c2cc3ccccc3o2)CC1)c1cncc(Br)c1 96120397 MGUCQCOUDURSHP-UHFFFAOYSA-N 442.313 3.873 0 40 IHAB Cc1ccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)C(=O)C(F)(F)F)cc1Cl 100395233 BTNBWUOESNLRPD-CDSWZMAWSA-N 438.833 3.554 0 40 IHAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)NCc3ccco3)CC2=O)cc1C 103716928 YUIXCLLZUZIEHC-SFHVURJKSA-N 431.492 3.818 0 40 IHAB Cc1ccc(-c2nnc(SCC(=O)N[C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)n2CCC(=O)O)cc1 104024962 RESAWRCJTNQCED-PBWTXFEYSA-N 442.585 3.761 0 40 IHAB Cc1ccc(Oc2ccc(NC(=O)CN3C(=O)[C@H]4[C@@H]5C=C[C@@H]([C@@H]4C3=O)[C@@H]3C[C@H]53)cc2)cc1 222433378 HDGXAMFZBUFNBI-FRFYXRHDSA-N 428.488 3.779 0 40 IHAB COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(Cc2ccncc2)c1C 223041981 GWEBHFLRNKJETQ-PKTZIBPZSA-N 435.597 3.952 0 40 IHAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)COc1cc(OC)cc(OC)c1 223122992 HXZQRLYOIHTVDD-IRXDYDNUSA-N 446.519 3.554 0 40 IHAB COC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(F)cc3)c2)cc1 224168004 VRQRMRYBCDDYLP-UHFFFAOYSA-N 442.468 3.690 0 40 IHAB CCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc4c(c3)sc(=O)n4C(C)C)ccc21 225180606 FJCPIVDJRIFTFP-UHFFFAOYSA-N 445.566 3.744 0 40 IHAB O=C(NCc1nc(-c2cccc(Br)c2)no1)c1ccc(Cn2ccnc2)cc1 225409777 XQJSMUFTRLPKDB-UHFFFAOYSA-N 438.285 3.674 0 40 IHAB CC(C)Oc1ccc(CCCNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 225471469 YEXYPIJBLUECTR-UHFFFAOYSA-N 444.597 3.624 0 40 IHAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1)C(=O)COc1cc(OC)cc(OC)c1 225480849 USRCMEIJVIYSKP-JPYJTQIMSA-N 442.556 3.805 0 40 IHAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc(Br)cc1 225704738 HJHZOGDTIVWHSN-KRWDZBQOSA-N 441.347 3.641 0 40 IHAB O=c1sc2cc(S(=O)(=O)NCc3ccco3)ccc2n1Cc1ccc(Cl)cc1 225784332 UCOWAKCDJGWTGR-UHFFFAOYSA-N 434.926 3.836 0 40 IHAB O=C(N1CCC[C@@H](Cc2cn3ccnc3cn2)CC1)C1(Cc2ccccc2)CCOCC1 257218753 DEHXKXLAXRRONO-OAQYLSRUSA-N 432.568 3.940 0 40 IHAB CCOc1ccc(N([C@@H](CC)C(=O)N[C@H]2CCCc3ccccc32)S(C)(=O)=O)cc1 260592286 SIZBXLKLMNXQQM-VXKWHMMOSA-N 430.570 3.824 0 40 IHAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccccc2F)C1 408700304 CXMBSABZODOBIB-QGZVFWFLSA-N 434.533 3.997 0 40 IHAB CS(=O)(=O)c1ccc(CNC(=O)C2(Cc3cccc(F)c3)CCOCC2)cc1Cl 507230740 KQSFNDULDXAXRG-UHFFFAOYSA-N 439.936 3.538 0 40 IHAB COc1ccc2nc(C[C@H]3CN(C(=O)c4cccc(F)c4)CC[C@H]3CC(=O)O)[nH]c2c1 514288395 CHAGWNHUDYDEQT-HOCLYGCPSA-N 425.460 3.506 0 40 IHAB biogenic,in-vitro Cn1c(CCCCCN2C(=O)[C@H](C(N)=O)[C@H]3C[C@@]2(C)Oc2ccccc23)nc2ccccc21 604418799 DNSNZEVGJYLCMO-QFMFQJCFSA-N 446.551 3.512 0 40 IHAB CC(C)n1cnnc1[C@@H]1CCCN(C/C=C/CN2CCC[C@@H](c3nncn3C(C)C)C2)C1 1261637346 PRKFEHGUWMHZCM-QDWIBDRMSA-N 440.640 3.647 0 40 IHAB O=S(=O)(NC[C@@H](O)c1ccc(-c2ccco2)s1)c1ccc(OC(F)(F)F)cc1 1775968630 HZERMZMPVXUDBA-CYBMUJFWSA-N 433.429 3.919 0 40 IHAB Cc1ccc(CNC(=O)[C@@H]2C[C@@]3(CO2)CN(Cc2cccc(C(F)(F)F)c2)CCO3)cc1 2056226612 WFDUKOVKFNJQHK-GMAHTHKFSA-N 448.485 3.690 0 40 IHAB COC(=O)c1cc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2C)ccc1Cl 687355 FXVGETBYGLBXOB-UHFFFAOYSA-N 430.917 3.961 0 40 IHAB CCN1C(=O)[C@H](CC(=O)Nc2ccc(Cl)cc2)N(CCc2ccc(OC)cc2)C1=S 2230802 ZFPIAMIUSLPFTJ-IBGZPJMESA-N 445.972 3.738 0 40 IHAB Cc1cccc(N2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3)CC2)c1C 2954398 NARYPQURFZXMEQ-KRWDZBQOSA-N 429.923 3.798 0 40 IHAB COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccc(SC)cc2)c(OC)c1 6461717 WTFDSEUHXMAZAD-HXUWFJFHSA-N 437.525 3.945 0 40 IHAB COc1cc(I)cc(/C=C2/SC(=O)N(C(C)C)C2=O)c1OC 8396150 OIDLBVRDGOYYJX-WUXMJOGZSA-N 433.267 3.753 0 40 IHAB COc1ccc([C@H]2CN3C(=O)CN(CC(C)C)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 8789899 QHAKCBXNRUCPEX-IBVKSMDESA-N 431.536 3.864 0 40 IHAB biogenic CC(C)OCCCNS(=O)(=O)c1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 8810290 XMRLUWGGCVCIRM-UHFFFAOYSA-N 428.913 3.825 0 40 IHAB COc1ccc(OC)c(N2C[C@@H](C(=O)Nc3nnc(C4CCCCC4)s3)CC2=O)c1 9095624 MBNIWDKJYWMIEC-AWEZNQCLSA-N 430.530 3.595 0 40 IHAB COCCn1c(S[C@H](C)C(=O)Nc2ccc(N(C)C)cc2)nnc1-c1ccccc1 9219101 ZVEXMFCRIBHJDE-MRXNPFEDSA-N 425.558 3.777 0 40 IHAB Cc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccc(C(=O)O)cc3)C(=O)[C@H]2ON1c1ccccc1 9345669 JRCAJBKWMVHQDJ-BDTNDASRSA-N 428.444 3.744 0 40 IHAB COc1ccc(C2=NN(C(=O)Cn3c(C)nc4ccccc4c3=O)[C@@H](c3ccco3)C2)cc1 9594121 WZHAUXNSBAWHSK-JOCHJYFZSA-N 442.475 3.684 0 40 IHAB CC(C)(C)NC(=O)CN1CCCN(c2ncnc3scc(-c4ccc(F)cc4)c23)CC1 9781364 HCAWUHAZYMDOAV-UHFFFAOYSA-N 441.576 3.924 0 40 IHAB CC(=O)Nc1cccc(NC(=O)[C@@H](C)Sc2nc3sc4c(c3c(=O)[nH]2)CCCC4)c1 10135266 QZTLVBQUXVFFLX-LLVKDONJSA-N 442.566 3.941 0 40 IHAB O=C(CCc1ccc(-c2ccccc2)o1)N1CCC(NS(=O)(=O)c2cccs2)CC1 11450372 MFNVTQXWRUQBNF-UHFFFAOYSA-N 444.578 3.910 0 40 IHAB O=S(=O)(Nc1ccc(-c2ccc3nnc(-c4ccncc4)n3n2)cc1)c1ccccc1 11665574 RGNPVOBQFBZJCX-UHFFFAOYSA-N 428.477 3.654 0 40 IHAB Cc1nc2scc(-c3cccc(NS(=O)(=O)c4ccccc4F)c3)n2c(=O)c1C 11696657 LZPDJXOCYMKYJF-UHFFFAOYSA-N 429.498 3.980 0 40 IHAB CC[C@@H](C)NC(=O)CSc1[nH]c(-c2ccccc2)nc1S(=O)(=O)c1ccccc1 12112466 XXWAEBRNCLDWHG-OAHLLOKOSA-N 429.567 3.916 0 40 IHAB COc1ccc([C@@H]2CCCCCN2C(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 12676146 FCRILBHRJFXGPL-QFIPXVFZSA-N 430.570 3.768 0 40 IHAB CCn1c(SCC(=O)OCC(=O)N(C)c2ccccc2)nnc1-c1ccc(Cl)cc1 12768464 BNZHRMZJIYQMNF-UHFFFAOYSA-N 444.944 3.917 0 40 IHAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F 12916198 ZIFHWAYWIQFFEG-UHFFFAOYSA-N 441.406 3.994 0 40 IHAB CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NCCc1c[nH]c3ccccc13)C2=O 12985641 NNVUFKGWKMLHLP-UHFFFAOYSA-N 438.572 3.744 0 40 IHAB Cn1c(SCc2ccccc2)nnc1[C@H]1CCCN(C(=O)c2ccc3c(c2)OCO3)C1 13565180 REHBZBMJYZNGDY-SFHVURJKSA-N 436.537 3.856 0 40 IHAB O=C(CSc1ccc2c(c1)CCC2)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1 14228594 LOZCVWGJCVEPPZ-UHFFFAOYSA-N 442.562 3.978 0 40 IHAB COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc2nn(-c3ccccc3)nc2c1 17098433 WXUWKQMPWSWEND-UHFFFAOYSA-N 433.493 3.565 0 40 IHAB COc1ccc(CC(=O)N2CCCC[C@H]2c2nc(-c3ccsc3)cc(=O)[nH]2)cc1F 19559580 FEUQVKDDGUPSDD-SFHVURJKSA-N 427.501 3.942 0 40 IHAB COc1cccc(CC(=O)N2CCC(n3c(C)nc4sc(C)c(C)c4c3=O)CC2)c1 19561197 VUFSQCUXSSSITL-UHFFFAOYSA-N 425.554 3.798 0 40 IHAB Cc1nc([C@H]2CCCCN2C(=O)c2cccnc2N)nc2c1CC(=O)N2CC1CCCCC1 19739608 YANKKBXJWWFSDZ-HXUWFJFHSA-N 448.571 3.599 0 40 IHAB COc1ccc(CN2C(=O)Cc3c(C)nc([C@@H]4CCCN4C(=O)C4CCCC4)nc32)cc1 19739810 CHMTUDJLCVAVAK-NRFANRHFSA-N 434.540 3.737 0 40 IHAB CCOC(=O)[C@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@@H]1c1cccc(Cl)c1 19818389 KGJQSAWEWGQEJS-WOJBJXKFSA-N 441.915 3.842 0 40 IHAB Cc1ccc(OCCNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1 22368549 YMMADHANPYQEFU-UHFFFAOYSA-N 442.512 3.525 0 40 IHAB CC(C)(C)c1ccc(OCCOC[C@@H](O)CN2CCN(Cc3ccccc3)CC2)cc1 22466179 XPIDTUQNYCBJCL-DEOSSOPVSA-N 426.601 3.558 0 40 IHAB COc1cc2c(cc1OC)CN([C@@H]1CC(=O)N(c3cccc(Cl)c3Cl)C1=O)CC2 22609288 AXSJGFSDLNTHCH-MRXNPFEDSA-N 435.307 3.701 0 40 IHAB Cc1cccc(-c2nnc([C@@H](C)N3CCN(CC(=O)Nc4c(C)cccc4C)CC3)o2)c1 22930333 LCZVBKAHKVBYNO-HXUWFJFHSA-N 433.556 3.979 0 40 IHAB CCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(OCC)cc3)CC2)cc1 23652127 GOQSEKBQNSLXAM-UHFFFAOYSA-N 432.542 3.523 0 40 IHAB O=C(NCc1ccc(F)cc1)[C@@H](Cc1ccccc1)NC(=O)N1CC(O)=Nc2ccccc21 25076992 CVVYJAVVCKLANR-OAQYLSRUSA-N 446.482 3.871 0 40 IHAB COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCc2ccc(OC)cc2)C12CCCC2 32103226 VCYSTGGHACEHST-QHCPKHFHSA-N 436.552 3.553 0 40 IHAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 32768313 SPTLRVOXLMTWTL-NRFANRHFSA-N 437.521 3.654 0 40 IHAB COC(=O)c1ccc(NC(=O)Nc2ccc(OCc3cc(=O)n4ccccc4n3)cc2)cc1 33067786 CLHZNCSOHLFYAV-UHFFFAOYSA-N 444.447 3.704 0 40 IHAB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(OC)c(OC)cc3Cl)C2=O)o1 33741318 OZDAIHJMYXSHLV-FRKPEAEDSA-N 437.857 3.973 0 40 IHAB COc1ccc(Cl)cc1NC(=O)N1CCC2(CC1)N=C(c1cccc(C)c1)C(=O)N2 35432313 LZZLBUBOMJQIMY-UHFFFAOYSA-N 426.904 3.600 0 40 IHAB CC1(C)C[C@@H]2C[C@@](C)(CN2[C@H](C(=O)O)c2c[nH]c3ccc(NC(=O)CCC(=O)O)cc23)C1 36354295 STLBHMKQPRVJEE-OECQAKIHSA-N 441.528 3.998 0 40 IHAB COc1ccc(-c2csc3c(=O)n(CC(=O)NCCCc4ccccc4)cnc23)cc1 38487054 MHFPEBAQPWXZHK-UHFFFAOYSA-N 433.533 3.883 0 40 IHAB O=C(CN(CCCc1ccccc1)C(=O)CN1CCCCC1)NCCCc1ccccc1 40158828 ZHTCFDAPJLDKSB-UHFFFAOYSA-N 435.612 3.683 0 40 IHAB O=c1c2c(-c3cccc(Cl)c3)n3ncnc3nc2ccn1Cc1ccc2c(c1)OCO2 40398017 ABTHDYJKCPUDRH-UHFFFAOYSA-N 431.839 3.537 0 40 IHAB CCc1nnc2c(S(=O)(=O)N(Cc3ccc(OC)c(F)c3)c3ccccc3)cccn12 49404841 HGBHBLFYMBABCO-UHFFFAOYSA-N 440.500 3.835 0 40 IHAB CCc1cc(=O)n(CC(=O)Nc2cc(Cl)c(OC)cc2OC)c(-c2cccc(F)c2)n1 57508224 XECIDMZSBVDZBT-UHFFFAOYSA-N 445.878 3.921 0 40 IHAB O=C(c1cc(=O)c(OCc2ccccc2)co1)N1CCC(O)(c2ccc(Cl)cc2)CC1 61720279 FGSONWMCNZYUAF-UHFFFAOYSA-N 439.895 3.996 0 40 IHAB O=C(Nc1ccccc1Cl)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 64985267 GLTWHFKTFTXQKK-FQEVSTJZSA-N 428.897 3.935 0 40 IHAB COC(=O)c1ccc(/N=c2\oc3c(OC)cccc3cc2C(=O)NCc2ccco2)cc1 67298991 ADUYWKGDNQEJID-RWEWTDSWSA-N 432.432 3.983 0 40 IHAB O=C(Cn1c(=O)cc(-c2nc(-c3ccncc3)no2)c2ccccc21)Nc1cccc(F)c1 67318121 OWCKFJAVWUDHSM-UHFFFAOYSA-N 441.422 3.891 0 40 IHAB COC(=O)c1sccc1NC(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 71775382 QBASADZQEQZXJM-UHFFFAOYSA-N 449.576 3.880 0 40 IHAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)CNC(=O)c1cccs1)CC2 72277289 XETZNWXOCGNDMB-NRFANRHFSA-N 442.562 3.731 0 40 IHAB C[C@@H](OC(=O)Cc1csc(N2CCCC2=O)n1)[C@@H]1CCCCN1C(=O)OC(C)(C)C 72310723 XYCDZPRKWDKFGV-ZBFHGGJFSA-N 437.562 3.534 0 40 IHAB COc1cc(CN2CCN(c3c(F)cccc3[C@H](O)c3nccs3)CC2)cc(OC)c1 72340575 LAUKUHSEOFXSLO-QFIPXVFZSA-N 443.544 3.703 0 40 IHAB Cc1cccc(C(=O)N2CCC[C@H](c3cc(C(F)(F)F)c4c(N)nc(C)nc4n3)C2)n1 72350865 OHAJBGYCZYLLRE-ZDUSSCGKSA-N 430.434 3.657 0 40 IHAB CC(C)(C)c1nc(CN2CCCN(S(=O)(=O)/C=C/c3ccc(Cl)cc3)CC2)no1 79062528 MQUNIEKNOOTBCA-NTEUORMPSA-N 438.981 3.529 0 40 IHAB Cn1nc(-c2ccccc2)cc1C(=O)N1CCc2nc(NC(=O)c3ccoc3)sc2C1 90582612 DNWSOWFHZIJIKS-UHFFFAOYSA-N 433.493 3.587 0 40 IHAB O=S(=O)(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc2c(c1)CCCO2 95458708 OTVUYHZBJGETLR-UHFFFAOYSA-N 442.459 3.668 0 40 IHAB CC(C)Cn1ccnc1CNC(=O)[C@H]1CC(=O)N(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 95989115 IENNALOZXIBXFD-HRAATJIYSA-N 434.943 3.946 0 40 IHAB COc1cc([C@@H](NC(=O)c2ccc3c(c2)OCCO3)C(F)(F)F)cc(OC)c1OC 95995568 WMFPRXUGJDCPQP-GOSISDBHSA-N 427.375 3.517 0 40 IHAB Cc1nc(Cn2cc(-c3cc(C(=O)N4CCC[C@H](O)C4)c4ccccn34)nc2C)cs1 96154964 GECVVZUYBZVBSN-SFHVURJKSA-N 435.553 3.521 0 40 IHAB O=C(c1ccccc1F)N1CCN(CC(=O)N(Cc2ccccc2)c2ccccc2)CC1 96996607 XGIBZHNCRNVOPJ-UHFFFAOYSA-N 431.511 3.817 0 40 IHAB COc1ccc(Cl)cc1NC(=O)CSc1nnc(COc2ccccc2OC)n1C 101189425 ZVKDETLJCCPESG-UHFFFAOYSA-N 448.932 3.796 0 40 IHAB CC1(C)[C@@H]2CC[C@]1(CS(=O)(=O)Nc1ccc3c(c1)N(C(=O)c1ccco1)CC3)C(=O)C2 101324298 IPICFTNKMZCFKR-MWTRTKDXSA-N 442.537 3.620 0 40 IHAB CCOc1ccc(CNC(=O)c2ccc(N(CC)S(=O)(=O)CC)cc2)cc1OCC 222399444 RVRXTDNZEVEPGT-UHFFFAOYSA-N 434.558 3.590 0 40 IHAB COC(=O)c1cccc(NS(=O)(=O)c2ccc(SC)c(NC(=O)C(C)C)c2)c1C 222706857 RPQCOVWSGFOWAB-UHFFFAOYSA-N 436.555 3.899 0 40 IHAB CC[C@@H](C(=O)NCc1ccc2ccccc2c1)N(c1cccc(OC)c1)S(C)(=O)=O 222808373 MIQGNSUSSVSMGG-QFIPXVFZSA-N 426.538 3.709 0 40 IHAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1cc(OC)cc(OC)c1 223030974 NSZRROAGFKKLGJ-LJQANCHMSA-N 442.556 3.725 0 40 IHAB CC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCc1ccc2c(c1)OCO2 223048284 MRLRQGSMXXMMLJ-HSZRJFAPSA-N 430.504 3.692 0 40 IHAB CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(Br)c(C)c1 223669739 NUWCHAHXSFOQLI-KRWDZBQOSA-N 447.373 3.998 0 40 IHAB COc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1COc1cccc(Cl)c1 224148727 XTORSGURHGUOIF-UHFFFAOYSA-N 446.912 3.827 0 40 IHAB COc1ccc(CCNC(=O)c2ccc(C)c(N(C)S(=O)(=O)c3ccccc3)c2)cc1 224291188 NHVQWKHHAAXROW-UHFFFAOYSA-N 438.549 3.801 0 40 IHAB Cc1cccc([C@@H](NS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)c2ccccc2)c1 225423499 DLSAJUFHTYUFFS-KRWDZBQOSA-N 430.555 3.509 0 40 IHAB COc1ccccc1N1CCN(C(=O)c2onc(-c3ccc(F)cc3)c2[C@H](C)O)CC1 225434229 DBMUKKJKUZVRQC-HNNXBMFYSA-N 425.460 3.505 0 40 IHAB biogenic,in-vitro CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1cccc(C)c1C 225495129 ADZJQXOCHDARMS-INIZCTEOSA-N 433.346 3.608 0 40 IHAB Cc1ccc(OC[C@H](C)NC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)cc1C 225726277 UJSMITCQBKVHRX-FQEVSTJZSA-N 432.586 3.742 0 40 IHAB COc1cc(N2CCN(c3ccccc3)CC2)nc(NC(=S)NCc2ccc(C)cc2)n1 225942604 HPGKJVTYJGZYPQ-UHFFFAOYSA-N 448.596 3.607 0 40 IHAB CC1(C)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2CN(C(=O)c3ccccc3F)CCN21 253399961 KFEBRZOSWWSBEI-SFHVURJKSA-N 429.923 3.540 0 40 IHAB biogenic,in-vitro O=C(CCc1ccc2c(c1)OCO2)N1N=C(c2ccc(Cl)cc2)C[C@]1(O)C(F)(F)F 408564182 VWRYFOKOGFMCJK-IBGZPJMESA-N 440.805 3.889 0 40 IHAB Cc1cccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC=C[C@@H](C)[C@H]4C3=O)cc2)c1C 408670027 WWVJAAMRJBGGPV-AYPBNUJASA-N 446.503 3.801 0 40 IHAB Cc1ccccc1/C=[N+]1\NC(=O)[C@@H](NC(=O)c2ccc(F)cc2)[C@H]1c1ccc(Cl)cc1 409060333 PZJUTESUPJNIFR-NGTVUAHZSA-O 436.894 3.804 0 40 IHAB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(OC)c(Br)c2)C1=O 409214336 SOULQMSAMBWTDB-CEITULEQSA-N 428.304 3.836 0 40 IHAB C[C@]1(c2ccc(-c3noc(-c4cccc5c6c([nH]c45)CCCC6)n3)cc2)NC(=O)NC1=O 577779331 OVBZKMIOQVBZQJ-XMMPIXPASA-N 427.464 3.818 0 40 IHAB CCCNC(=O)COc1cc(C(F)(F)F)nc2ccc(I)cc12 584306092 RPJKTRBJEGEBOW-UHFFFAOYSA-N 438.187 3.763 0 40 IHAB C[C@@]1(O)CCN(Cc2ccncc2F)[C@@H](c2ccccc2)[C@@H]1NC(=O)c1ccc(F)cc1 604383130 OFKLEHJOJSBRRY-SONWIMMPSA-N 437.490 3.856 0 40 IHAB biogenic,in-vitro O=C(CC1(N2Cc3ccccc3C2=O)CCCCC1)NCCCc1nnc2ccccn12 1548348443 LSRGQUKEUGLEMJ-UHFFFAOYSA-N 431.540 3.527 0 40 IHAB COc1cc(CNCCN2CCC(O)CC2)ccc1OCc1cccc(C(F)(F)F)c1 1651088686 YHKGUPJLVRAICM-UHFFFAOYSA-N 438.490 3.839 0 40 IHAB COC(=O)c1sc(OCc2ccc3ccccc3n2)cc1NS(=O)(=O)C(F)(F)F 599601 BPECWRMBMKWBAJ-UHFFFAOYSA-N 446.428 3.923 0 40 IHAB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccc(Br)c2)n2nnnc2N1 646478 RYOWSDIUHAYQJY-KRWDZBQOSA-N 425.290 3.672 0 40 IHAB CCOc1cc(NC(=O)C2CC2)c(OCC)cc1NC(=O)CCn1nnc2ccccc21 929285 IISZIZUBJJPGBQ-UHFFFAOYSA-N 437.500 3.606 0 40 IHAB COC(=O)c1ccc(CN2C(=O)C(Cl)=C(Nc3cccc(C(F)(F)F)c3)C2=O)cc1 938236 LGNPPPOXHZOJMH-UHFFFAOYSA-N 438.789 3.923 0 40 IHAB O=C(CN1C(=O)S/C(=C/c2ccc(Br)cc2)C1=O)Nc1ccc(O)cc1 1237687 IJFWNEHVOFYLOW-OQLLNIDSSA-N 433.283 3.830 0 40 IHAB COc1cccc(-c2noc([C@@H]3CCCN(S(=O)(=O)c4ccc(Cl)cc4)C3)n2)c1 1360453 UTMBYPWTTFSWPO-OAHLLOKOSA-N 433.917 3.967 0 40 IHAB CCN1C(=O)c2cccc3c(NC(=O)c4ccc(S(=O)(=O)N5CCCC5)cc4)ccc1c23 1511480 ULXABDBIGXOMKH-UHFFFAOYSA-N 449.532 3.857 0 40 IHAB Cc1ccccc1NC(=O)CSc1nc2sc3c(c2c(=O)n1C)CC(C)(C)OC3 2233952 IHTOGQAYAIHQIF-UHFFFAOYSA-N 429.567 3.886 0 40 IHAB CNS(=O)(=O)c1cccc(C(=O)O[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c1 2642947 ZHZNRKSYQHHMFF-HSZRJFAPSA-N 448.500 3.857 0 40 IHAB CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(Br)cc3F)sc2c1 3167717 LSLIHPVTNGTQGA-UHFFFAOYSA-N 429.292 3.854 0 40 IHAB CC(=O)c1cccc(NC(=O)[C@H](OC(=O)CNC(=O)c2ccccc2)c2ccccc2)c1 3244171 BDKMPLUIKSQQMU-HSZRJFAPSA-N 430.460 3.542 0 40 IHAB O=C(Cn1c(NCc2ccccc2)nc2ccccc21)N1CCN(Cc2ccccc2)CC1 3324175 JFJXUPBZNLEDSY-UHFFFAOYSA-N 439.563 3.993 0 40 IHAB CCN(CC(=O)NCc1ccccc1Cl)CC(=O)Nc1ccccc1C(F)(F)F 3327933 FYMZXJLUNAJXFC-UHFFFAOYSA-N 427.854 3.936 0 40 IHAB CCCCc1ccc(NC(=O)CSc2nnc(Cc3ccc(OC)cc3)n2N)cc1 4916548 YQXIYVAKLMFMRP-UHFFFAOYSA-N 425.558 3.665 0 40 IHAB O=C(NCc1ccccc1CN1CCCC1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 8736191 CYSDETOLQHQODV-OUKQBFOZSA-N 431.580 3.851 0 40 IHAB Cc1cc(F)ccc1S(=O)(=O)NC[C@H](c1ccccc1)S(=O)(=O)c1cccs1 9106839 XSQCYCCDTYFOGK-GOSISDBHSA-N 439.555 3.689 0 40 IHAB CCOC(=O)C1=NN(c2cccc(Cl)c2)[C@@]2(S1)SC(C(=O)OCC)=C(C)N2C 9430975 ODJAADPNHKEYBI-GOSISDBHSA-N 441.962 3.854 0 40 IHAB CCOCC(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Br)cc2)c1 9509563 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Cc1c(Cc2ccccc2)c(=O)oc2c(C)c3c(cc12)CN(CCCN1CCOCC1)CO3 13593022 FCXWHHHWPKNJAI-UHFFFAOYSA-N 448.563 3.875 0 40 IHAB CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(C(=O)N2CCc3ccccc3C2)cc1 13676972 XHWPGAMBRUVNKN-UHFFFAOYSA-N 438.524 3.990 0 40 IHAB O=C(CN1C(=O)C(=O)c2cc(Br)ccc21)Nc1ccccc1C(F)(F)F 14137318 RJMMVLUGQHCZCC-UHFFFAOYSA-N 427.176 3.636 0 40 IHAB CCCCOC(=O)c1ccc(N2CC3=C(C2=O)[C@@H](c2ccc(C)cc2)NC(=O)N3C)cc1 15108307 BSGQLVMAHJNIOH-JOCHJYFZSA-N 433.508 3.949 0 40 IHAB Cc1ccc(-c2nnc([C@@H]3CCN(S(=O)(=O)c4cccc(C(F)(F)F)c4)C3)o2)cn1 19215198 NKAWUMBTMOITFY-CQSZACIVSA-N 438.431 3.637 0 40 IHAB COc1cccc(CN2CCN(C)C(=O)[C@@H](Cc3cccc(-c4ccncc4)c3)C2)c1OC 19589569 GJGBQNXBSFCDKF-DEOSSOPVSA-N 445.563 3.899 0 40 IHAB CCc1nccn1CC(=O)N1CCC(c2nc(N(C)C)ncc2-c2ccc(F)cc2)CC1 19695333 DTBVTCBMXHHOOP-UHFFFAOYSA-N 436.535 3.514 0 40 IHAB Cc1nc2ccccn2c1CN1CCO[C@H](c2c(C(=O)NC(C)C)sc3ncccc23)C1 19703296 KUYSVQPEMSFOOC-IBGZPJMESA-N 449.580 3.964 0 40 IHAB C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(F)cc2)cc1)c1ccccc1 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IHAB CCOC(=O)c1c(NC(=O)[C@H](C)OC(=O)c2cc(N)ccc2F)sc2c1CC[C@@H](C)C2 25054335 BUKJVRCGISGZLE-NEPJUHHUSA-N 448.516 3.955 0 40 IHAB CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC[C@@H](c1ccco1)N(C)C 32967249 UEBQQCGGZCHHBI-FUHWJXTLSA-N 426.344 3.760 0 40 IHAB Cc1ccccc1NC(=O)CSc1nnc([C@H](C)NC(=O)c2ccccc2Cl)n1C 33782577 HUMOTZHEQFNFKU-AWEZNQCLSA-N 443.960 3.999 0 40 IHAB COc1ccc(OC)c(NC(=O)CN2CCC(n3c(C)nc4cc(F)ccc43)CC2)c1 35314252 VUUUDDDVNVDLGK-UHFFFAOYSA-N 426.492 3.777 0 40 IHAB Cc1ccccc1[C@@H](CC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1)NC(N)=O 40069609 DJXAUJSFZIYWGJ-UXHICEINSA-N 428.602 3.745 0 40 IHAB CCC(=O)N1CCC[C@@H](C(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)C1 40146605 GRRHDUWAMLEOCR-JOCHJYFZSA-N 430.552 3.863 0 40 IHAB COc1ccccc1C(=O)Nc1cccc(C(=O)OCc2cc(=O)n3oc(C)cc3n2)c1C 41089622 OSYUPNZBMOPOPK-UHFFFAOYSA-N 447.447 3.522 0 40 IHAB C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 44902748 WSOSQRRZUGIREN-URXFXBBRSA-N 442.625 3.799 0 40 IHAB C[C@H](NC(=O)[C@H]1CCN(S(C)(=O)=O)c2ccccc2O1)c1ccc(C(C)(C)C)cc1 44906170 SZHJSTVQIPWRNS-HRAATJIYSA-N 430.570 3.779 0 40 IHAB Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc(N(C)C)cc3)c2=O)c(C)c1 57492818 DPMNNNVIMUETKJ-UHFFFAOYSA-N 448.548 3.535 0 40 IHAB COc1ccc2ccccc2c1[C@@H]1NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]1C(=O)c1ccccc1 57531285 CAPYRYAACVZIHP-IPJJNNNSSA-N 444.409 3.952 0 40 IHAB C[C@@H](c1nc(-c2cccs2)no1)S(=O)(=O)Cc1cc(Cl)c2c(c1)OCCO2 58135806 OJLQYPYTFMFMNS-JTQLQIEISA-N 426.903 3.899 0 40 IHAB CC(=O)c1ccc(-n2c(C)cn(C[C@@H](O)COc3ccc(Cl)cc3Cl)c2=O)cc1 58310858 OGSGXDVJXRJXAD-GOSISDBHSA-N 435.307 3.897 0 40 IHAB O=C(c1ccc(=O)[nH]n1)N1CCC(c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)CC1 72349739 BQYVHPHQPBOKCJ-UHFFFAOYSA-N 442.441 3.794 0 40 IHAB CNC(=O)[C@@]1(Cc2cccc(-c3cccc(F)c3)c2)CCCN(C(=O)[C@@H]2CCCCO2)C1 72391543 FGWOSEGBGOEFPO-JYFHCDHNSA-N 438.543 3.959 0 40 IHAB CS(=O)(=O)c1cc(Cl)cnc1[C@@H]1CCCN(Cc2cc(Cl)c3c(c2)OCO3)C1 72394317 CJQABOGZQARQFN-CYBMUJFWSA-N 443.352 3.900 0 40 IHAB CCOc1ccccc1NC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccccc1F 89272051 ACKYJGCAWYVKLG-UHFFFAOYSA-N 432.473 3.647 0 40 IHAB COCCCN1Cc2cccc(NS(=O)(=O)c3cc(C)c(Br)s3)c2C1 96013485 VQVLXIFDZFAYPV-UHFFFAOYSA-N 445.404 3.972 0 40 IHAB CC(=O)Nc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4F)C(=O)[C@H]3ON2c2ccccc2)cc1 101180475 IZFKBBWLZQVYJB-VABKMULXSA-N 445.450 3.835 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)C12C[C@@H]3C[C@H](CC(Cl)(C3)C1)C2 101432497 ICGXGRFWYGNPPV-LDSOLPTJSA-N 446.960 3.794 0 40 IHAB CCOC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(NC(C)=O)cc1 113871184 DJJMDZNRZWOEHX-UHFFFAOYSA-N 445.324 3.710 0 40 IHAB CC(=O)OC[C@]12CC[C@H]3[C@@H](C[C@@H](OC(C)=O)[C@H]4CC(=O)CC[C@@]43C)[C@@H]1C[C@H](OC(C)=O)C2 118929152 IHYPOAFAUZNFQR-MCRWJAOQSA-N 448.556 3.615 0 40 IHAB COc1ccccc1C1(CNS(=O)(=O)c2ccccc2OC(F)(F)F)CCOCC1 211092863 GGTBCWMCQCIFTF-UHFFFAOYSA-N 445.459 3.621 0 40 IHAB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)ccc1OCC(=O)OC 214139534 GQWIWFSCWXEWCD-XDHOZWIPSA-N 427.478 3.874 0 40 IHAB Cc1cccc(N([C@@H](C)C(=O)NCCSCc2ccc(Cl)cc2)S(C)(=O)=O)c1 220122614 VDDSGARXTQMEIF-INIZCTEOSA-N 441.018 3.853 0 40 IHAB Cc1cc(C)cc(N(CCCC(=O)NCCSCc2ccccc2)S(C)(=O)=O)c1 222566875 XMZMTMDHLWGGQV-UHFFFAOYSA-N 434.627 3.899 0 40 IHAB COc1ccc(CN(C(=O)CCc2ccccc2)[C@H](C)C(=O)NCc2cccnc2)cc1 222994077 HLZJUYVWZVWDNE-HXUWFJFHSA-N 431.536 3.757 0 40 IHAB CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccc(C)cc1C 223080975 XITBKQFQBJHGRP-KRWDZBQOSA-N 447.373 3.998 0 40 IHAB CCCSc1nnc(NC(=O)[C@H](CC)N(c2cc(C)cc(C)c2)S(C)(=O)=O)s1 223278409 XSFJJBNZXCRDMU-HNNXBMFYSA-N 442.632 3.840 0 40 IHAB Cc1ccc(NC(=O)c2cnc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)nc2)cc1C 223388195 KVDHXMOZNIRQMP-UHFFFAOYSA-N 444.944 3.820 0 40 IHAB CCc1ccc(N(CC(=O)NCCOc2ccccc2C(C)(C)C)S(C)(=O)=O)cc1 223684170 IGALREJVQGEPMW-UHFFFAOYSA-N 432.586 3.508 0 40 IHAB COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccccc3)no2)c(Cl)c1Cl 223758258 NKTFYSZDKURMIE-UHFFFAOYSA-N 428.297 3.873 0 40 IHAB COc1ccccc1N(CCCC(=O)Nc1ccc(N2CCCCC2)cc1)S(C)(=O)=O 224974347 ODBIZHFZMKPJTJ-UHFFFAOYSA-N 445.585 3.870 0 40 IHAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc2c(c1)OCO2 225242165 KCAOHHIPZYHADJ-DLBZAZTESA-N 428.504 3.819 0 40 IHAB CC(C)NC(=O)c1nnc2n1C[C@H]1N(Cc3ccsc3)CC[C@@]1(c1ccccc1)CC2 306139474 SYFGYOLRUYMCCE-HYBUGGRVSA-N 435.597 3.637 0 40 IHAB CCCCCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1Cl 408564078 XMFCURUHWOXWHM-UHFFFAOYSA-N 428.913 3.965 0 40 IHAB COc1ccc(C(=O)[C@@H](C)N(C(=O)c2ccccc2Cl)N2C(=O)CCCC2=O)cc1 408659136 VRPHTLRBXQBRRR-CQSZACIVSA-N 428.872 3.516 0 40 IHAB CC(=O)Nc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc3ccccc23)cc1 408666391 ZEEFACNYRMNOCZ-UHFFFAOYSA-N 433.464 3.699 0 40 IHAB CC(C)Oc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 408707252 ILMDSWRRBIYQGZ-MRXNPFEDSA-N 431.330 3.906 0 40 IHAB CCOc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(C)cc3)[C@H]2c2ccc(C)cc2)cc1 409058182 IWPDYVMYIKRHKS-HCOVDNQSSA-O 442.539 3.718 0 40 IHAB Cc1cc(Cl)ccc1NC(=O)CSc1nnc([C@H](C)NC(=O)c2ccccc2)n1C 409139014 LGLVZKCTZYJEAP-AWEZNQCLSA-N 443.960 3.999 0 40 IHAB O=C(c1ccc2nn[nH]c2c1)N1CCC2(CCCCc3ccccc3OCCOC2=O)CC1 643573403 CUHNAYOTGXFQBM-UHFFFAOYSA-N 448.523 3.529 0 40 IHAB CC1(C)[C@H](c2ccc(F)c(F)c2)CCN1C(=O)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1 1215966492 RWWKVJKFZBGMES-LPHOPBHVSA-N 442.466 3.515 0 40 IHAB O=C(Cc1ccccc1Br)N1CC[C@H](Oc2ccncc2Br)C1 1775972543 KBSNGBQTBXKUCI-ZDUSSCGKSA-N 440.135 3.829 0 40 IHAB Cn1cc(CN2CCC(N3C(=O)NCCOc4ccccc4[C@@H]3c3ccccc3)CC2)cn1 2037978391 UKLONJBXMMUAFM-VWLOTQADSA-N 445.567 3.578 0 40 IHAB Cn1cnc(CN2CCC(N3C(=O)NCCOc4ccccc4[C@H]3c3ccccc3)CC2)c1 2037978418 VMFZRWMWANNGEB-RUZDIDTESA-N 445.567 3.578 0 40 IHAB COc1ccc(S(=O)(=O)N2CCS[C@H]2c2ccc(OC)c(Br)c2)cc1 713070 IOPZZFSGSALNFY-KRWDZBQOSA-N 444.372 3.903 0 40 IHAB CCOc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1 905656 AEWUSGXTQQDXJI-INIZCTEOSA-N 439.537 3.705 0 40 IHAB O=S(=O)(c1ccc(S(=O)(=O)N2CCCC3(CCCCC3)C2)cc1)N1CCCCC1 922598 PONVOGAQKAFMKO-UHFFFAOYSA-N 440.631 3.596 0 40 IHAB CCC[C@@H](C)COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc2c(cc1Br)OCO2 2473034 OAVZHJPJKVQRTE-QGHHPUGFSA-N 439.306 3.785 0 40 IHAB CC(C)C[C@H]1N=C2c3ccccc3N=C(SCc3cc(=O)n4ccccc4n3)N2C1=O 2964496 UZSMJMFOOYDFBZ-GOSISDBHSA-N 431.521 3.633 0 40 IHAB Cc1ccc(C(=O)[C@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@H]3c4ccccc4C=NN32)cc1 4543077 MZGVLPUBHKJFOJ-OLKYXYMISA-N 435.483 3.757 0 40 IHAB CCCCNC(=S)N(Cc1cccnc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O 6077920 IGIGRSZHNJWSFN-UHFFFAOYSA-N 440.569 3.617 0 40 IHAB Cc1cc(C)c(S(=O)(=O)NC[C@H](c2ccco2)S(=O)(=O)c2cccs2)c(C)c1 8601890 UALYTDJUNZYLGC-QGZVFWFLSA-N 439.580 3.760 0 40 IHAB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccc(S(N)(=O)=O)cc3)o2)cc1Cl 8831321 JEPMSZVAWKSLGY-UHFFFAOYSA-N 449.941 3.683 0 40 IHAB COc1ccccc1NS(=O)(=O)c1ccc(C)c(NC(=O)COc2ccccc2F)c1 9120752 GSDOUFDJAJYEFG-UHFFFAOYSA-N 444.484 3.961 0 40 IHAB O=C(CSc1nnc(CN2CCCC2)n1Cc1ccccc1)N1CCc2ccccc21 9166829 BSVWJNMOOGNYHR-UHFFFAOYSA-N 433.581 3.604 0 40 IHAB C[C@H](Oc1ccccc1C(=O)NCc1ccccc1)C(=O)N1CCN(c2ccccc2)CC1 9322252 CCHLZYKPQXROME-NRFANRHFSA-N 443.547 3.733 0 40 IHAB Cc1ccnn1-c1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 9446479 RISZWFXHBVQANV-UHFFFAOYSA-N 438.553 3.998 0 40 IHAB COc1ccccc1-n1nnnc1SCc1nnc(-c2cc3c(s2)CCCC3)o1 9730430 DIEWALBLNOLOKQ-UHFFFAOYSA-N 426.527 3.954 0 40 IHAB CN(Cc1ccccc1Cl)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 9801032 JVYKHTGGLWGPIG-UHFFFAOYSA-N 435.977 3.856 0 40 IHAB Cc1ccc(Cl)cc1NC(=O)CSc1nc2ncccc2c(=O)n1C[C@@H]1CCCO1 9830440 FHEVEIPGEOUPJX-HNNXBMFYSA-N 444.944 3.663 0 40 IHAB CCCc1cnc2c(c1SCc1ccc(Br)cc1)c(=O)n(C)c(=O)n2C 10216898 BRTSFVDKTLNPTL-UHFFFAOYSA-N 434.359 3.640 0 40 IHAB O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 10925336 GQFNRYKBWYGHFD-UHFFFAOYSA-N 441.553 3.852 0 40 IHAB O=C(COc1ccc(F)cc1Cl)OCC(=O)N1c2ccccc2NC(=O)C12CCCC2 11011788 DQPBRFUOBGQLAD-UHFFFAOYSA-N 446.862 3.699 0 40 IHAB Cc1ccccc1C(=O)N[C@@H](C(=O)NCc1ccc(NC(=O)c2ccco2)cc1)C(C)C 11534267 FXAUMYVIKCFXEC-JOCHJYFZSA-N 433.508 3.911 0 40 IHAB COc1cc(OC)cc(-c2nnc(SCC(=O)N3CCSc4ccccc43)o2)c1 12173306 AMFKBEIRPHDSJO-UHFFFAOYSA-N 429.523 3.985 0 40 IHAB CCCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)Cc3ccc(Cl)cc3)cc21 12180649 HOIGHTSSMWXCGG-UHFFFAOYSA-N 442.990 3.774 0 40 IHAB CC(=O)NC1(c2ccccc2)CCN(c2ncc(-c3cnccn3)c(-c3ccco3)n2)CC1 12184642 HOYNDSYUKATEJF-UHFFFAOYSA-N 440.507 3.825 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1C 12769333 FZDGEPKGFSZCEL-UHFFFAOYSA-N 447.557 3.749 0 40 IHAB CC(C)(C)NC(=O)Cn1c(SCC(=O)c2ccc3c(c2)OCCO3)nc2ccccc21 12881989 VAXCQYXOLLCYTC-UHFFFAOYSA-N 439.537 3.697 0 40 IHAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cc2)C1 13580659 KTZGJQNPXDGAOP-ZDUSSCGKSA-N 426.897 3.527 0 40 IHAB O=C(NCCCN1CCCCC1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 13647774 NAUPGJJDMNFIDY-UHFFFAOYSA-N 435.977 3.747 0 40 IHAB C[C@H]1CCc2[nH]c3ccc(C(=O)OCC(=O)Nc4ccccc4C(=O)NC4CC4)cc3c2C1 14021351 RPQOUCWFGULNFA-HNNXBMFYSA-N 445.519 3.980 0 40 IHAB O=C(c1ccccc1)c1ccc(OCC(=O)N2CCC[C@H]2c2nnc3ccccn23)cc1 14233089 LOGAMBWLQKGPNH-NRFANRHFSA-N 426.476 3.703 0 40 IHAB Cc1cc(Cl)ccc1OCC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 14241672 UVTUOTSKGWNOIT-UHFFFAOYSA-N 436.961 3.518 0 40 IHAB CCCCCNC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 14412605 LCVFFPKJZQXVGQ-UHFFFAOYSA-N 434.558 3.514 0 40 IHAB COc1cc(-c2nnc(SCC(=O)Nc3ccc(C)cc3F)o2)cc(OC)c1OC 15228050 QHOMUPRCPZUAJU-UHFFFAOYSA-N 433.461 3.941 0 40 IHAB CC(C)Oc1ccc(NC(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2Cl)cc1 15858435 JLCOAOKDNWDLDI-ZDUSSCGKSA-N 436.917 3.692 0 40 IHAB CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 16033649 GJZVOTCXZHCVEC-IYWMVGAKSA-N 426.394 3.810 0 40 IHAB COc1ccc(C(=O)CSc2nnc(-c3ccncc3)n2Cc2ccco2)cc1OC 16756247 HDGDWFJRXNBUGQ-UHFFFAOYSA-N 436.493 3.974 0 40 IHAB O=C(Nc1nc(CCC(=O)N2CCN(c3ccccc3)CC2)cs1)NC1CCCCC1 16849225 YZDKNAKFBSZODE-UHFFFAOYSA-N 441.601 3.879 0 40 IHAB COc1ccc(Cn2cnc3c4ccccc4n(CC(=O)NC4CCCCC4)c3c2=O)cc1 16953782 XQPPJHNTEAGMRX-UHFFFAOYSA-N 444.535 3.857 0 40 IHAB CN(C)C(=O)[C@H](OC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1 17726368 AENABFUBLLEXRL-LJQANCHMSA-N 435.446 3.690 0 40 IHAB CC(C)c1cc(C(=O)N2CCCC[C@@H]2c2nc(O)c3c(n2)CN(C2CCCC2)CC3)on1 19452920 PYWHGGVUZHVBMK-HXUWFJFHSA-N 439.560 3.962 0 40 IHAB CCCN1CCN(C(=O)c2cn(C)cn2)C[C@@H](Cc2cccc(-c3cccs3)c2)C1=O 19503097 RZNHKWYBVWBQMP-HXUWFJFHSA-N 436.581 3.702 0 40 IHAB COc1cccc(C(=O)N2CCC[C@](Cc3cccc(-c4ccncc4)c3)(C(N)=O)C2)c1 19564358 RZNLDCCQLPJWTO-AREMUKBSSA-N 429.520 3.708 0 40 IHAB COc1ccc(CNC(=O)[C@@H]2CN(Cc3ccc(OC(C)C)cc3)Cc3cn(C)nc32)cc1 19701534 ZSXHXSQAQJLOEU-XMMPIXPASA-N 448.567 3.632 0 40 IHAB COc1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3N2C(=O)c2ccccc2C)cc1 19799393 PMOJWTLYWWVPKN-QFIPXVFZSA-N 429.476 4.000 0 40 IHAB CCN(c1ccc(OCC(=O)NCc2ccc(F)cc2)cc1)S(=O)(=O)c1ccccc1 19937970 MWUANYMEVJDYME-UHFFFAOYSA-N 442.512 3.736 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCCSc1ccccc1 20061751 DQKYFWPNYGRYOI-UHFFFAOYSA-N 432.611 3.938 0 40 IHAB O=C(C[C@H]1C(=O)Nc2nc(-c3ccc(Cl)cc3)nn21)Nc1ccc(Br)cc1 20721763 XOUTUAXRSOEMNW-AWEZNQCLSA-N 446.692 3.883 0 40 IHAB CCOc1ccc(NC(=O)CN2CCN(Cc3cc(C)ccc3OC)CC2)cc1OCC 22923753 QUILVQCWVHXJLR-UHFFFAOYSA-N 441.572 3.557 0 40 IHAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 29928924 GAGXUDSGNWKDEQ-UHFFFAOYSA-N 441.597 3.934 0 40 IHAB C[C@@H](Sc1nnnn1C[C@H]1CCCO1)C(=O)N(Cc1ccccc1)Cc1ccccc1 30346744 MAXCGLYJCQQCMP-WIYYLYMNSA-N 437.569 3.562 0 40 IHAB COc1c(C(=O)NC(C)C)cn(C)c1-c1nc2cc(NC(=O)CC(C)C)ccc2n1C 36369815 XEMZRAJRUBUMDE-UHFFFAOYSA-N 425.533 3.710 0 40 IHAB biogenic COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CSc1ccc(Cl)cc1 38755720 KOOJGVMKNXHKDB-UHFFFAOYSA-N 428.963 3.766 0 40 IHAB Cc1ccc(C)c(N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3)CC2)c1 57416596 DEVMFMUERVNTDB-QGZVFWFLSA-N 429.923 3.798 0 40 IHAB O=C([C@H](c1ccccc1)S(=O)(=O)Cc1cc(Cl)c2c(c1)OCCCO2)N1CCCC1 58379756 PMSLHLNXUKQHCG-NRFANRHFSA-N 449.956 3.780 0 40 IHAB Cc1nc(-c2cccc(NC(=O)C3CCN(c4ccc(-n5cccn5)nn4)CC3)c2)cs1 62022695 VNUJNVUOGZSMAY-UHFFFAOYSA-N 445.552 3.949 0 40 IHAB CC(=O)N1CCC(N[C@H]2C[C@@H](Cc3cc(CN(C)Cc4ccccc4)on3)C2(C)C)CC1 67890278 SGGYZGOYVYYOHZ-BWKNWUBXSA-N 438.616 3.864 0 40 IHAB biogenic,in-vitro C[C@H]1CC[C@@H]2N(C1)C[C@@H]1[C@H](CC[C@H]3[C@@H]4CC(=O)[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4C[C@H]31)[C@]2(C)O 70673301 IQDIERHFZVCNRZ-HTBGBFGVSA-N 429.645 3.886 0 40 IHAB biogenic Cc1nn(C)c(C)c1C(=O)C(=O)N(Cc1ccc2c(c1)OCO2)[C@@H]1CCC[C@H](C)[C@@H]1C 72046897 OIEOGNFCVSHFHM-YZVOILCLSA-N 425.529 3.802 0 40 IHAB CC(C)N1C(=O)CO[C@H](c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)[C@H]1CO 72321181 GWZDNKBIDXTQBC-UYAOXDASSA-N 436.430 3.627 0 40 IHAB biogenic,in-vitro Cc1cc(Cc2cccc(Cl)c2)cc([C@@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)n1 72354256 ABLOXPDTUSGBNE-LJQANCHMSA-N 444.988 3.936 0 40 IHAB Cc1cc(C)nc(Nc2cccc([C@H]3CCCN3C(=O)c3c(C)cc(C)n(C)c3=O)n2)n1 72375531 QJNSKTZJRZMUNU-LJQANCHMSA-N 432.528 3.525 0 40 IHAB O=C([C@H]1CC=CCC1)N1CCC(c2nc3c(c(=O)[nH]2)CN(CC2CCCCC2)CC3)CC1 72398729 XOQOPORNMUGRIT-NRFANRHFSA-N 438.616 3.771 0 40 IHAB Cc1c(OCC(=O)NC[C@@H]2CCCN3CCCC[C@H]23)ccc2c3c(c(=O)oc12)CCCC3 79190438 AKTPBSFLMVSNAN-PGRDOPGGSA-N 438.568 3.740 0 40 IHAB biogenic CCOC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1cc2cccc3c2n(c1=O)CCC3 79192988 SNIIEFSKLMHYCI-XXBNENTESA-N 443.455 3.510 0 40 IHAB biogenic CCOc1cc(CNc2cccc(NC(=O)C3CC3)c2)ccc1O[C@H](C)C(=O)N(C)C 89990973 UUXNUIOLGKPYID-MRXNPFEDSA-N 425.529 3.901 0 40 IHAB CCCS(=O)(=O)Nc1ccc(NC(=O)CC2(C(F)(F)F)SCCS2)cc1 95436702 QWMFAWQMZQMWDF-UHFFFAOYSA-N 428.523 3.906 0 40 IHAB CC(C)n1cc(S(=O)(=O)NCc2ccc(-n3cnc4ccccc43)cc2Cl)cn1 95452556 OOGJUKIBSIEDDU-UHFFFAOYSA-N 429.933 3.935 0 40 IHAB Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NCc1cccnc1OCC(F)(F)F 95949660 LHPXVFMMTYAUDZ-UHFFFAOYSA-N 436.409 3.823 0 40 IHAB O=C(Nc1nc2c(s1)CN(C(=O)Nc1ccc3c(c1)OCO3)CC2)c1ccsc1 96024349 SVMBBJDLXMUZSG-UHFFFAOYSA-N 428.495 3.776 0 40 IHAB COc1ccc(-c2noc(-c3cccn3CC(=O)NCc3ccc(F)cc3F)n2)cc1F 98211473 XQYSRYHSOREALY-UHFFFAOYSA-N 442.397 3.947 0 40 IHAB O=C1[C@@H]2[C@H](C(=O)N1c1cccc(Br)c1)[C@@H](c1ccc(Cl)cc1)N1CCCN21 100166044 OQJKGILEFIBHHE-KURKYZTESA-N 446.732 3.638 0 40 IHAB CC(=O)N/C(=C/c1ccccc1)C(=O)O[C@H](C)C(=O)Nc1nc(-c2ccccc2)cs1 104371340 JWHWLEDZXWALHO-DQPIFXJKSA-N 435.505 3.858 0 40 IHAB Cc1nc(NC(=O)N2CCC[C@@H]2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1 169302884 STUWGJZDJHPWGZ-GFCCVEGCSA-N 441.479 3.835 0 40 IHAB in-vitro O=C1N[C@@H](c2ccc(Br)cc2)[C@@H](C(=O)c2ccccc2)[C@](O)(C(F)(F)F)N1 169688939 DNRBHMCGLHWPTR-ZQIUZPCESA-N 443.219 3.553 0 40 IHAB COc1ccc(CCC(=O)N2CC(Oc3cc(C)oc(=O)c3)C2)cc1OCc1ccccc1 206958899 DJUQYOLZJRJCOR-UHFFFAOYSA-N 449.503 3.758 0 40 IHAB CCOc1ccc(CCC(=O)NCc2nc(-c3ccc(OC)cc3)no2)cc1OCC 219280501 ZKAJCNJYDOCYPX-UHFFFAOYSA-N 425.485 3.792 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc4sncc4c3)C2)cc1 222585693 ZSNCZZTWDYZGCA-OAHLLOKOSA-N 445.566 3.734 0 40 IHAB COc1ccc(N(CCCC(=O)NCc2cccc3ccccc23)S(C)(=O)=O)cc1 222887025 WOBZXGXWQWRHCV-UHFFFAOYSA-N 426.538 3.711 0 40 IHAB CCNC(=O)c1cc(S(=O)(=O)N[C@H](CC)c2ccc3c(c2)CCCC3)ccc1OC 223080179 JDKNEDDIQRUYBZ-OAQYLSRUSA-N 430.570 3.753 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)Cc2ncc(C(=O)Nc3ccc(C)c(Cl)c3)cn2)cc1 223382977 WFAXNCHPGIXELG-UHFFFAOYSA-N 444.944 3.820 0 40 IHAB CCCn1c(=O)sc2cc(S(=O)(=O)Nc3ccccc3C(=O)NC(C)(C)C)ccc21 225730633 HMLWFWKOHLUSQQ-UHFFFAOYSA-N 447.582 3.802 0 40 IHAB O=C(NC1CCCC1)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2C3)sc2c1CCCC2 225762947 NREUYICLZRUXEU-GGNLRSJOSA-N 428.554 3.761 0 40 IHAB COc1ccc(-c2cc(C)nc([C@H]3CCCN(S(=O)(=O)c4cnn(C)c4C)C3)c2)cc1 257207254 BHACFPNJHKKFLT-IBGZPJMESA-N 440.569 3.676 0 40 IHAB COc1cccc(CC(=O)N2CCO[C@H](c3cc(Nc4nc(C)cc(C)n4)cc(C)n3)C2)c1 257278538 OCQDNADBOGYBSO-QHCPKHFHSA-N 447.539 3.692 0 40 IHAB Cc1cc(C(=O)N2CCOC[C@H](Cc3cccc4occc34)C2)nc(N2CCCCC2)n1 257280031 OJDXUUFTABEISH-LJQANCHMSA-N 434.540 3.853 0 40 IHAB Cc1c(C(=O)N2CCNC(=O)[C@H]2Cc2cccc(-c3ccncc3)c2)[nH]c2ccc(F)cc12 257293947 QRVBPKKPGMJKJD-HSZRJFAPSA-N 442.494 3.861 0 40 IHAB Cc1cc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)ccc1NC(=O)c1ccc(Cl)cc1 408603315 GHQPMASXIABUCJ-UHFFFAOYSA-N 443.912 3.800 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 408613171 ZNJQHBBGBLYQFT-VIFPVBQESA-N 437.732 3.961 0 40 IHAB COCCCNC(=O)c1nc(-c2ccc(F)cc2)n(-c2ccc(Br)cc2)n1 408692798 VRRSIBNTLVXSOQ-UHFFFAOYSA-N 433.281 3.602 0 40 IHAB COc1ccc([C@@H]2[C@H](NC(=O)c3ccc(Cl)cc3)C(=O)N/[N+]2=C\c2ccccc2C)cc1 409061139 WAWGTWMWIKCTCV-LMOLPZMTSA-O 448.930 3.673 0 40 IHAB CCOc1cc(Br)cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)c1O 409235741 QCXOPSCLCPLYOG-CXUHLZMHSA-N 431.286 3.955 0 40 IHAB CC(C)(NC(=O)c1ccccc1F)C(=O)N1CCOC[C@@H](Cc2ccc3ncccc3c2)C1 585262061 GRANXGWYILZUGG-IBGZPJMESA-N 449.526 3.600 0 40 IHAB COc1ccc(CNC(=O)c2nc3c(s2)CCN(Cc2ccc(F)c(F)c2)CC3)cc1 1204225441 WYHCCFNENXVTOE-UHFFFAOYSA-N 443.519 3.961 0 40 IHAB O=C(CS[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O)Nc1cccc(F)c1 713226 JTEIFIBJPCIJST-HNNXBMFYSA-N 437.290 3.592 0 40 IHAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 832276 DWCGAVFJBAPHRE-UHFFFAOYSA-N 438.505 3.752 0 40 IHAB COc1cccc(C(=O)Nc2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cn2)c1 1353267 IJGXXSJJVCJQPL-UHFFFAOYSA-N 437.452 3.621 0 40 IHAB O=C(COc1ccc(Cl)cc1)N1CCCN(C(=O)COc2ccc(Cl)cc2)CC1 1456987 LQDZWXXVCYJGLG-UHFFFAOYSA-N 437.323 3.512 0 40 IHAB CC/C(=C(\CC)c1ccc(OS(=O)(=O)O)cc1)c1ccc(OS(=O)(=O)O)cc1 1621269 JQFXYBUUBRTZSR-ZCXUNETKSA-N 428.484 3.781 0 40 IHAB COCCn1c(C)cc(C(=O)COC(=O)c2c(NC(C)=O)sc3c2CCCC3)c1C 2652914 YGFGKTGKDMATHY-UHFFFAOYSA-N 432.542 3.690 0 40 IHAB COc1ccc(-c2nnc(NC(=O)c3cc(OC)c(OC)c(OC)c3)s2)c(OC)c1 3227450 GHMJYUUTEZSOIH-UHFFFAOYSA-N 431.470 3.500 0 40 IHAB Cc1cc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)c(C)n1Cc1ccc2c(c1)OCO2 3543013 DZQSWVYMPZLIRM-UHFFFAOYSA-N 434.279 3.628 0 40 IHAB COc1cc(CCC(=O)Nc2cc(Cl)ccc2N2CCN(C)CC2)cc(OC)c1OC 4057960 XBTLWFREAAPQHW-UHFFFAOYSA-N 447.963 3.689 0 40 IHAB CCOCCCNC(=S)N(Cc1cccnc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O 6089642 STKAEZGVHYDVCG-UHFFFAOYSA-N 438.597 3.843 0 40 IHAB COc1cccc(C=NNc2cn[nH]c(=O)c2Br)c1OCc1ccccc1F 6143403 WLHJGURTDBPYPM-UHFFFAOYSA-N 447.264 3.705 0 40 IHAB CC(C)CCC[C@@H](C)NC(=O)CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O 8765061 DEFCISKAOIUPOF-UTKZUKDTSA-N 426.561 3.742 0 40 IHAB biogenic O=C(Nc1nccs1)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 8833731 GCVAMKAOCSRPJS-UHFFFAOYSA-N 438.328 3.959 0 40 IHAB COc1ccc2[nH]cc(CCNC(=O)Cc3c(C)c4c(OC)cc(C)cc4oc3=O)c2c1 8878906 LCOLVKDYGSLAHC-UHFFFAOYSA-N 434.492 3.810 0 40 IHAB biogenic Cn1c(CCC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)nc2ccccc2c1=O 9218915 BNGLOBJIGYHTJR-INIZCTEOSA-N 432.549 3.882 0 40 IHAB C[C@@H](NC(=O)CN1C(=O)NC(Cc2ccccc2)(Cc2ccccc2)C1=O)c1ccccc1 9497089 GXKWQHZPRTXCLA-HXUWFJFHSA-N 441.531 3.640 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(C)cc2)c2ccccc2)cc1 9600869 FFMZBAWWXIOEOH-UHFFFAOYSA-N 438.549 3.905 0 40 IHAB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cccn2-c2ccc(F)cc2)C1=O 9601681 DZSKMYWUEWDCRC-KGENOOAVSA-N 432.455 3.710 0 40 IHAB O=C(CSc1nnnn1Cc1cccs1)N[C@H](c1ccccc1)c1cccs1 9647580 OZAOFTKWHQVJOR-GOSISDBHSA-N 427.580 3.842 0 40 IHAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 9668838 JTMUIBRYJJNNCE-INIZCTEOSA-N 447.538 3.749 0 40 IHAB CN(CC(=O)Nc1ccccc1Br)S(=O)(=O)c1ccc(Cl)cc1F 9836319 YEYOTKNENJREFI-UHFFFAOYSA-N 435.702 3.501 0 40 IHAB Cc1ccnn1-c1ccc(C(=O)N2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)cc1 9864745 ATNFFRUDGBLQEE-QHCPKHFHSA-N 430.508 3.601 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCc4cccc(C)c43)CC2)cc1C 10971531 WXRRTJHNATWRPW-UHFFFAOYSA-N 426.582 3.992 0 40 IHAB CC(C)(C)c1ccc(CCC(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)cc1 11451275 FSGGMZVWTYSMIT-UHFFFAOYSA-N 434.627 3.948 0 40 IHAB CCOc1ncc([C@@]2(O)CCC[C@@H]3CN(Cc4cc(F)cc(F)c4)C[C@@H]32)c(OCC)n1 12233416 HEGQRLOIFZGHRL-CGYQNGNCSA-N 433.499 3.672 0 40 IHAB COCCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1ccc(OC)cc1 12498624 WEFGBVRGFSSRDP-UHFFFAOYSA-N 426.542 3.948 0 40 IHAB CC(=O)c1ccccc1NC(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2Cl)C1=O 12531736 XTOSHOULNMYGJN-HXUWFJFHSA-N 434.279 3.602 0 40 IHAB Cc1ccc([C@H](C(=O)NC(C)(C)C)N(CCc2ccccc2)C(=O)c2csnn2)o1 12638571 ZIWRXZHYHGVPFT-LJQANCHMSA-N 426.542 3.780 0 40 IHAB O=C(NCc1ccccc1F)[C@H]1CS[C@]2(c3ccc(Br)cc3)CCC(=O)N12 12748913 FFIUCHCCYUAVLB-XLIONFOSSA-N 449.345 3.795 0 40 IHAB COc1cc(C(=O)Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)cc(Cl)c1OC 12756301 HUDYHIZQZRBZLY-RYUDHWBXSA-N 425.938 3.675 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(Br)s2)c1 13012159 ZFKNGRMAFLEXKB-UHFFFAOYSA-N 447.376 3.802 0 40 IHAB Cc1ccc(-c2cc(NC(=O)CSc3nnnn3C3CC3)n(-c3ccccc3)n2)cc1 13112742 AGYVWROIIZPRJW-UHFFFAOYSA-N 431.525 3.900 0 40 IHAB Cc1cccc(CNC(=O)CN(c2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)c1 13668958 FFGIUGFHEQNOGZ-UHFFFAOYSA-N 438.549 3.656 0 40 IHAB CSCc1c(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)oc2ccccc12 14817569 ZNLGAIDWWXANTH-UHFFFAOYSA-N 446.550 3.569 0 40 IHAB COc1ccc(Cc2nnc(SCCCOc3c(C=O)cccc3OC)n2C)cc1 15422826 ZPLGHWFESKFQCI-UHFFFAOYSA-N 427.526 3.797 0 40 IHAB O=C(NCc1ccc(C(F)(F)F)cc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 16301532 UCDTYDXHTBPVCA-UHFFFAOYSA-N 444.450 3.562 0 40 IHAB O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc(=O)c2cc(Cl)ccc2o1 16753718 RHBLOEOSIFGACH-UHFFFAOYSA-N 446.912 3.873 0 40 IHAB COc1ccc(C)cc1NC(=O)Cc1csc(Nc2ccc(S(C)(=O)=O)cc2)n1 16850438 KFAYERWJLZNEQK-UHFFFAOYSA-N 431.539 3.788 0 40 IHAB CC[C@H](c1ccc(OCC(=O)N2CC2)cc1)[C@@H](CC)c1ccc(OCC(=O)N2CC2)cc1 17108569 NZPAJNDKGZUJDS-PSWAGMNNSA-N 436.552 3.816 0 40 IHAB COc1ccc(OC)c(NC(=O)CSc2cc(C(=O)NC3CC3)c3ccccc3n2)c1 17274452 LEFWXRDMEZDWHX-UHFFFAOYSA-N 437.521 3.875 0 40 IHAB Cc1ccc(SCCNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc1 17341122 CAGQYQWLEBMLBU-UHFFFAOYSA-N 439.002 3.955 0 40 IHAB Cc1ccc(-n2ncc(C(=O)[C@@H]3CCCN(C(=O)c4ccc(CN(C)C)cc4)C3)c2N)cc1 19213049 FUPWXBXQSZWGJO-OAQYLSRUSA-N 445.567 3.560 0 40 IHAB CCc1cc(C(F)(F)F)n2nc(C3CCN(C(=O)c4ccnc(N(C)C)c4)CC3)cc2n1 19522461 KQGXBZLCZBWBJA-UHFFFAOYSA-N 446.477 3.791 0 40 IHAB COc1cc(CN2CCCC[C@@H]2c2cc(O)nc(-c3ccncc3)n2)cc(OC)c1OC 19549785 VADRTYNBJVGEHA-LJQANCHMSA-N 436.512 3.997 0 40 IHAB COc1ccc(CN2CCC[C@@H](c3[nH]ncc3-c3ccnc(N4CCCC4)n3)C2)c(F)c1 19551763 QSUSPBGBAFDRRF-GOSISDBHSA-N 436.535 3.994 0 40 IHAB Cn1cc2c(n1)[C@H](C(=O)NCCc1ccc(F)cc1)CN(Cc1ccc3ncccc3c1)C2 19701242 KYNBOLKZQCOHHC-HSZRJFAPSA-N 443.526 3.566 0 40 IHAB Cc1nc(CC(=O)N2CC[C@@H](c3ccc4c(NCCc5ccccc5)n[nH]c4n3)C2)cs1 19705136 UHEYUJJMUAYIDW-GOSISDBHSA-N 446.580 3.936 0 40 IHAB CNc1nc([C@H]2CCCNC2)nc2c1CCN(C(=O)c1ccccc1-c1ccccc1)C2 19708851 JTJIMYABMGDPKA-IBGZPJMESA-N 427.552 3.851 0 40 IHAB Cc1ncc(C(=O)NCc2ccccc2)c([C@H]2CCCCN2C(=O)COc2ccccc2)n1 19766491 XMAPPYJFUXPPAR-HSZRJFAPSA-N 444.535 3.848 0 40 IHAB Cc1c(C(=O)N2CCN(c3ccccc3)CC2)nnc2c(-c3ccc(Cl)cc3)cnn12 19817122 LLAGMQIQLMMATJ-UHFFFAOYSA-N 432.915 3.716 0 40 IHAB O=C(Nc1c(F)cccc1F)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 20007914 USZRZJMTMNRETB-LJQANCHMSA-N 434.439 3.632 0 40 IHAB COc1ccc(CN(C)C(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2cccs2)cc1 22400479 DUYSHWVFVDSAEM-UHFFFAOYSA-N 448.541 3.750 0 40 IHAB CC(C)CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCc1cccc(F)c1F 25807450 BIUSJMIVFHFZHX-QHCPKHFHSA-N 428.435 3.643 0 40 IHAB CCC(CC)[C@@H](CNC(=O)c1cccc(OCc2csc(C)n2)c1)N1CCOCC1 30942947 LHHBHACFDOHKBI-JOCHJYFZSA-N 431.602 3.897 0 40 IHAB O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)NC1CCC(c2ccccc2)CC1 40070314 IIGRVUJUTGJUAD-UHFFFAOYSA-N 432.611 3.918 0 40 IHAB Cc1ccc([C@@H](NCC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)c2ccccc2)cc1 57383272 YXDDXHUACXORDP-RSXGOPAZSA-N 448.588 3.894 0 40 IHAB C[C@@H](N[C@@H](c1ccccc1)c1ccc(Cl)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 58169864 IVXXXFMEIIPONZ-VFNWGFHPSA-N 443.956 3.694 0 40 IHAB O=C(OCCc1cc2cc(Br)ccc2o1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 59253428 KMIYBKQQZXTAKK-LLVKDONJSA-N 434.208 3.692 0 40 IHAB CCc1noc(-c2ccc(-n3cnc(C(=O)NCc4ccc(F)c(Cl)c4)c3)nc2)n1 71768351 BQQFZIDHZKYDCS-UHFFFAOYSA-N 426.839 3.602 0 40 IHAB O=C(O)[C@@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1cc(Cl)cc(Cl)c1 71980658 NIGGTDPAOGTUIQ-IBGZPJMESA-N 449.334 3.911 0 40 IHAB Cc1cccc(CC(=O)N2CCO[C@@](Cc3ccc(-c4cccs4)cc3)(C(N)=O)C2)c1 72389215 XHYNBLFEHRMSGA-RUZDIDTESA-N 434.561 3.592 0 40 IHAB CC[C@H](C)c1ccc(S(=O)(=O)Nc2nn(-c3ncccn3)cc2Br)cc1 84726840 IWPFIAFKNPXWNB-LBPRGKRZSA-N 436.335 3.739 0 40 IHAB CC(=O)c1ccc(OCCCC(=O)N[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)cc1 95454149 LOXKOBIOQGWFER-NZQKXSOJSA-N 428.916 3.790 0 40 IHAB O=C(c1cccc(NS(=O)(=O)c2ccc3[nH]nnc3c2)c1)N1CCC[C@H]1C1CCCC1 97010990 IYWYCSDCMZNQEH-NRFANRHFSA-N 439.541 3.554 0 40 IHAB Cc1ccc(C)c(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)C(=O)c2ccccc2)c1 102090425 BXAVQEOUINVEDR-FWDUKEBRSA-N 426.516 3.961 0 40 IHAB C1=C(Nc2nc(CN3CCOCC3)nc3sc4c(c23)CCC4)CN(Cc2ccccc2)C1 102333138 TYTSNAUXSAYWHW-UHFFFAOYSA-N 447.608 3.824 0 40 IHAB CN1CCN(S(=O)(=O)c2cc(C(=O)Nc3cccc4ccccc34)ccc2Cl)CC1 220008528 XROANDLPVDVTJI-UHFFFAOYSA-N 443.956 3.682 0 40 IHAB CCSc1ccccc1NC(=O)[C@H](C)N(c1ccc(OC)c(OC)c1)S(C)(=O)=O 220242206 LAOIWEPAUGQROF-AWEZNQCLSA-N 438.571 3.609 0 40 IHAB CCc1ccc(OCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC)c(Br)c1 222384913 QPLFZUGEUPCHCB-INIZCTEOSA-N 447.373 3.862 0 40 IHAB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(Br)c(C)c1 223534646 OKQQRVHLXCOPEZ-INIZCTEOSA-N 433.346 3.690 0 40 IHAB COc1ccc(S(=O)(=O)NCc2nc(-c3ccccc3C)no2)c(Cl)c1Cl 223576851 ATDUCPJAOYPUJP-UHFFFAOYSA-N 428.297 3.839 0 40 IHAB Cc1ccc([C@H](C)NS(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)cc1C 225534428 XICONNNAZUVLSV-HNNXBMFYSA-N 430.555 3.755 0 40 IHAB COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 225568392 PFNDQJMXXYRRLA-QFIPXVFZSA-N 430.570 3.997 0 40 IHAB COC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)c1 225709403 IXMIELQPRKZHSX-UHFFFAOYSA-N 440.930 3.885 0 40 IHAB COc1ccc(CN(C)C(=O)Cc2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1 225978574 NJYBMADMCDUWII-UHFFFAOYSA-N 438.549 3.721 0 40 IHAB Cc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1OCC(=O)NCC(C)(C)C 226055476 YOIYSSGAANMEBQ-UHFFFAOYSA-N 430.570 3.678 0 40 IHAB C[C@@H]1CN(C(=S)S[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)C[C@@H](C)O1 227003327 MOKVWULACIIHPM-RULNRJAQSA-N 433.382 3.753 0 40 IHAB Cc1nc(-c2ccc(S(=O)(=O)NC[C@@](O)(c3ccoc3)c3cccs3)cc2)co1 253473714 XLUIFJZIAUBXIY-HXUWFJFHSA-N 430.507 3.519 0 40 IHAB O=C(Cn1ncc2ccccc2c1=O)N1CCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 257277498 NYFGKEIVBGQVGW-NRFANRHFSA-N 448.910 3.992 0 40 IHAB CNC(=O)c1cc(C)nc(C2(C)CCN(C(=O)C3(c4ccccc4F)CCCC3)CC2)n1 257320689 VYBFIWPBKAFEMD-UHFFFAOYSA-N 438.547 3.676 0 40 IHAB O=C(Nc1cc2nc(O)[nH]c2cc1N1CCN(c2ccccc2)CC1)c1ccc(F)cc1 408533288 OJCCIMGNOIEYIJ-UHFFFAOYSA-N 431.471 3.987 0 40 IHAB COc1ccc(Cl)cc1NC(=O)CCCC(=O)OCC(=O)Nc1ccccc1OC 408647690 UPRBIPBPRKBXIP-UHFFFAOYSA-N 434.876 3.648 0 40 IHAB Cc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3cccc(C)c3)[C@@H]2c2ccc(Cl)cc2)cc1 409064256 BUULJJIFMJFRJN-WSBKAMHLSA-O 432.931 3.973 0 40 IHAB CCn1c(CNC(=O)c2ccccc2)nnc1SCC(=O)Nc1cccc(Cl)c1C 409160633 VDPLHGRIOKLESV-UHFFFAOYSA-N 443.960 3.921 0 40 IHAB O=C(CN1C(=O)S/C(=C/c2cccn2-c2ccc(O)cc2)C1=O)Nc1cccc(F)c1 409250214 QBLCRAWNEAVZDZ-XDHOZWIPSA-N 437.452 3.997 0 40 IHAB CCc1ccccc1N(CC(=O)NCCCOC(C)C)S(=O)(=O)c1ccc(C)cc1 409316419 MQWCOZYLLSIMCC-UHFFFAOYSA-N 432.586 3.684 0 40 IHAB CCN(CC)c1ccc(C(=O)N2CCC[C@H](Oc3ncc(Br)cn3)C2)cc1 575612292 LAJJDCWMOJNCBH-SFHVURJKSA-N 433.350 3.769 0 40 IHAB CCC[C@@H](C)N1C[C@H]2C(=O)NC3(CCN(C(=O)C4(c5cccc(Cl)c5)CC4)CC3)[C@H]2C1 585106189 BBGGTJXRWWGQIP-UIFIKXQLSA-N 444.019 3.599 0 40 IHAB CN1CCCCC[C@H]2[C@@H]1[C@H](c1ccccc1)CN2CC(=O)NCCc1nc2ccccc2[nH]1 585261481 BBAMXWMUTPSMIY-DDZLNHKNSA-N 445.611 3.564 0 40 IHAB O=C1CCCC[C@]2(CN(C(=O)c3cccc(Cn4ccnc4)c3)C[C@H]2c2ccccc2)N1 585261686 IJICJPVKCYOSGO-JYFHCDHNSA-N 428.536 3.600 0 40 IHAB C=CC(=O)N1CCC(C(=O)N2CCC(Oc3ccncc3C)CC2)(c2ccccc2)CC1 1155908658 LPGVKPZZMAOFPY-UHFFFAOYSA-N 433.552 3.506 0 40 IHAB Cc1onc(C(C)C)c1C(=O)N1CC[C@H]2NC(=O)COc3ccccc3CC=CC[C@H]2C1 2037818672 JUTVFZYJRNMGJX-VQTJNVASSA-N 437.540 3.635 0 40 IHAB O=C1C[C@@H](c2ccc3c(c2)OCO3)N1C1(C(=O)Nc2ccc3c(c2)OCO3)CCCCC1 1412073 YXMNAIWBHCCPPM-KRWDZBQOSA-N 436.464 3.759 0 40 IHAB COc1cc(-c2nc(C(=O)NCCCO)cc3c2[nH]c2ccccc23)cc(OC)c1OC 2160115 YFKVDYPJGFYADT-UHFFFAOYSA-N 435.480 3.521 0 40 IHAB biogenic Cc1ccccc1Cn1cc(S(=O)(=O)CC(=O)Nc2nccs2)c2ccccc21 2461718 NSTOKCDZWPTBOF-UHFFFAOYSA-N 425.535 3.867 0 40 IHAB O=C(NCCOc1ccccc1F)c1cccc(C(=O)NCCOc2ccccc2F)c1 3100978 DIZQXIVZXCGWPA-UHFFFAOYSA-N 440.446 3.582 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccccc2C(C)C)cc1 3218191 OSZHIHQWSRSWEH-UHFFFAOYSA-N 432.542 3.636 0 40 IHAB Cc1c(NC(=O)[C@H](C)Sc2nnc(-c3ccccc3)o2)c(=O)n(-c2ccccc2)n1C 3278398 GKDIAVPMGISXAJ-HNNXBMFYSA-N 435.509 3.654 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(C(=O)Oc2ccc(-c3nnco3)cc2)ccc1Cl 3309669 APNSGYOEXWSVQC-UHFFFAOYSA-N 435.889 3.640 0 40 IHAB CCOc1ccccc1-n1nnnc1SCC(=O)c1cc(C)n(C[C@H]2CCCO2)c1C 3542824 AREYGWUVLMEUJV-QGZVFWFLSA-N 441.557 3.633 0 40 IHAB Cc1ccc(C)c(C(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)c2)c1 4178421 GAEPJJNTDQBPND-TXKCWOHGSA-N 429.472 3.655 0 40 IHAB COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)N2CC(C)C)cc1 4738768 NIRPXNYMEDFVSZ-HXUWFJFHSA-N 425.485 3.526 0 40 IHAB C[C@H](Sc1nncn1CCc1cccs1)C(=O)Nc1ccc(N2CCOCC2)cc1 8720348 CBWURARXJGMRJF-INIZCTEOSA-N 443.598 3.538 0 40 IHAB CCOc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC)c(OC)c1 8843640 RJYOPKPJYQFVPA-NRFANRHFSA-N 425.485 3.759 0 40 IHAB COc1cccc(NC(=O)CSc2nc(CC(=O)NCCc3ccccc3)cs2)c1 8850962 BPLFLHIJXMRKKU-UHFFFAOYSA-N 441.578 3.784 0 40 IHAB O=S(=O)(NC[C@H](c1ccc(F)cc1)S(=O)(=O)c1cccs1)c1ccc(F)cc1 8968161 YGHMUOWGYGHSQU-QGZVFWFLSA-N 443.518 3.520 0 40 IHAB COc1cccc(-c2nc(CC(=O)Nc3ccccc3N3CCOCC3)cs2)c1OC 9469342 FGBSHBCYXYAUDU-UHFFFAOYSA-N 439.537 3.845 0 40 IHAB C[C@@H](CCc1ccccc1)NC(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O 9532589 FYDAYUIKOPIWFJ-QYBDOPJKSA-N 429.520 3.744 0 40 IHAB COc1ccc(CNC(=O)CCN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 9577827 HYWURDNNARDIGW-UHFFFAOYSA-N 438.549 3.905 0 40 IHAB COc1cc(CN(C)C(=O)CCNC(=O)c2ccccc2Cl)ccc1OC(F)F 9584946 LPADJQFECHNGAD-UHFFFAOYSA-N 426.847 3.729 0 40 IHAB CCOC(=O)c1c(NC(=O)CSc2nnc(-c3ccco3)n2C)sc(C(C)=O)c1C 9588532 HZKJAYLWOYRWEL-UHFFFAOYSA-N 448.526 3.555 0 40 IHAB Cc1ccsc1CN(C)CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 9620389 SGZPYPDNIWOMNE-UHFFFAOYSA-N 435.615 3.692 0 40 IHAB CCOc1ccc(CCNC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)cc1OCC 9633164 MMQHOVINCZSULQ-UHFFFAOYSA-N 446.853 3.677 0 40 IHAB O=C(CSc1nnc(C[C@H]2CCS(=O)(=O)C2)o1)N(c1ccccc1)C1CCCCC1 9726472 BNEUUIIUQRVBTF-MRXNPFEDSA-N 449.598 3.505 0 40 IHAB CC(=O)Nc1cccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1 9797561 YMKWHPSSEUJYLJ-UHFFFAOYSA-N 437.418 3.518 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2nc(CC(=O)NCCc3ccc(Cl)cc3)cs2)cc1 9828606 YVILRIVFHBYQKB-UHFFFAOYSA-N 449.985 3.807 0 40 IHAB CC(=O)N1CCN(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)CC1 9835386 KZXINQRFSLKEBV-VAWYXSNFSA-N 440.503 3.989 0 40 IHAB C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)c1ccc2c(c1)OCCO2 9883737 KUQMYGGHOMMFJX-AVRDEDQJSA-N 430.504 3.676 0 40 IHAB CCOC(=O)c1c(C)n(C)c2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)cc12 11565752 YPTKVSJLEWNXOQ-UHFFFAOYSA-N 427.453 3.908 0 40 IHAB C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1nc2cc3c(cc2s1)OCCO3 11752382 IMNVYJMNLFSBGF-WIKAJDCBSA-N 441.553 3.727 0 40 IHAB COc1cc2c(cc1CN1CCC(c3cc(N)n4nc(C(C)(C)C)cc4n3)CC1)OCO2 12154658 KTQRUOLVJKVWLH-UHFFFAOYSA-N 437.544 3.726 0 40 IHAB C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@@H](c2nc3ccc(F)cc3cc2C(N)=O)C1 12219694 AVEWNHAOVKSIOU-LSDHHAIUSA-N 439.462 3.785 0 40 IHAB COc1cc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc(Cl)c1OC(C)C 12738740 CEYVHMOOHQNINM-UHFFFAOYSA-N 446.931 3.823 0 40 IHAB COc1ccc(-c2nnc(S)n2CC(=O)NCCCO[C@@H](C)c2ccccc2)cc1 12753170 HAABBILDFJZZFM-INIZCTEOSA-N 426.542 3.527 0 40 IHAB O=C(/C=C/c1cc(Cl)cc(Cl)c1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 12923457 WFXRFGVGRFROJN-VOTSOKGWSA-N 439.364 3.681 0 40 IHAB C[C@@H]1Cc2cc(C(=O)COc3ccc(Br)cc3F)ccc2N1S(C)(=O)=O 13016025 BFZFTKKGBFTUMG-LLVKDONJSA-N 442.306 3.561 0 40 IHAB CC(=O)c1ccc(S(=O)(=O)N(CC(=O)N2CCCCCC2)Cc2ccc(F)cc2)cc1 14112757 UUGISWJVDVKBOH-UHFFFAOYSA-N 446.544 3.622 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)cc1 14201104 BRJJDJAERLULHU-HSZRJFAPSA-N 440.590 3.851 0 40 IHAB CN(CC(=O)Nc1nc(-c2ccc(F)cc2)cs1)S(=O)(=O)c1ccc(Cl)s1 14377084 YIADOSAIYSUFCK-UHFFFAOYSA-N 445.950 3.923 0 40 IHAB COCCn1c(SCC(=O)N2CCc3ccccc3C2)nnc1-c1ccc(Cl)cc1 16048968 ZZWKBMNCWDGMID-UHFFFAOYSA-N 442.972 3.922 0 40 IHAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 16188292 CJMSSFBFZQAMFH-UHFFFAOYSA-N 436.839 3.627 0 40 IHAB Cn1ccnc1[C@@H](NC(=O)C[C@@H](NC(N)=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 16262134 JLEVCUGRYKXOCB-MJGOQNOKSA-N 446.338 3.732 0 40 IHAB Cc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2C)n1 16849697 FJOYVXBUGYMBLT-UHFFFAOYSA-N 437.397 3.610 0 40 IHAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O 17162255 SVCYQULFGCRADS-DZGCQCFKSA-N 440.521 3.615 0 40 IHAB Cc1ccc2c(CC(=O)Nc3ccc(S(=O)(=O)N4C[C@H](C)O[C@H](C)C4)cc3)coc2c1 17968987 ZGJQBUAMCKSIKS-CALCHBBNSA-N 442.537 3.720 0 40 IHAB C[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12)c1ccc(F)c(F)c1 18016334 CGLRSJCHVSIADP-CYBMUJFWSA-N 433.480 3.937 0 40 IHAB COc1cccc([C@@H](CNC(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)N(C)C)c1 18017004 IEUAHDBQOIUNRB-XMMPIXPASA-N 447.535 3.636 0 40 IHAB Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2C[C@H]1CCCN1Cc1cnc(N(C)C)nc1 19219888 KYXBQPAAGAQBKZ-QGZVFWFLSA-N 445.489 3.849 0 40 IHAB O=C(C1CCCCC1)N1CCc2nc([C@H]3CCCCN3C(=O)c3ccccc3)[nH]c(=O)c2C1 19368833 SQVPIUVZYIUHHI-JOCHJYFZSA-N 448.567 3.602 0 40 IHAB CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CCCN(CCc3ccccc3)C2)n1 19694678 HTXJXUUZVBPTHA-QFIPXVFZSA-N 429.568 3.731 0 40 IHAB COc1c(C)cccc1C(=O)N1CC[C@@H](c2ccnc3c(Cn4ccnc4C)c(C)nn23)C1 19707566 XSUNIYMFFSFGHW-LJQANCHMSA-N 444.539 3.538 0 40 IHAB Cn1cc(C(=O)N2CC[C@H]3[C@H]2CCCCC(=O)N3Cc2cccc(C(F)(F)F)c2)cn1 19713803 ZEQDPFOBXJKBEQ-MOPGFXCFSA-N 434.462 3.625 0 40 IHAB CNc1cc(CN(C)C(C)=O)nc([C@@H]2CCCN2C(=O)c2cc3c(s2)CCCCC3)n1 19759468 UYHVXHHWDMTEHL-SFHVURJKSA-N 441.601 3.804 0 40 IHAB COc1ccc([C@H](C)NC(=O)Cc2cnc(-c3ccc(Cl)cc3)[nH]c2=O)cc1OC 19937731 VYBDFPMTOHZPQK-ZDUSSCGKSA-N 427.888 3.527 0 40 IHAB Cc1ccc(F)cc1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 20008408 NSFNPGGMQBZNBQ-NRFANRHFSA-N 430.476 3.802 0 40 IHAB CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 20037661 ZCFGEISPLCMNMZ-INIZCTEOSA-N 440.525 3.807 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)COc1cccc2ccccc12 20108998 MBEYGAZATUGKNP-UHFFFAOYSA-N 440.521 3.650 0 40 IHAB CC[C@@H](NC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O)c1ccc(C)cc1 20459482 ZSUPTSHDDPGGMR-GOSISDBHSA-N 439.375 3.791 0 40 IHAB CCOC(=O)[C@](NCc1ccc(F)cc1)(NC(=O)c1cccc(Cl)c1)C(F)(F)F 20609074 NIAMLEXJVLIFMG-SFHVURJKSA-N 432.801 3.820 0 40 IHAB NC(=O)c1c(NC(=O)COC(=O)C2(c3ccccc3)CCCC2)sc2c1CCCC2 20866103 ZCLLKVRZPOBELA-UHFFFAOYSA-N 426.538 3.720 0 40 IHAB CC[C@H](C)c1ccc(-n2c(SCC(=O)N3CCNC3=O)nc3ccccc3c2=O)cc1 21464508 GVIMOFAFZZCNRK-HNNXBMFYSA-N 436.537 3.543 0 40 IHAB COC(=O)c1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 22275138 HDUDMCNQZIZJBG-UHFFFAOYSA-N 438.505 3.616 0 40 IHAB Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N1CCN(CCN2CCCC2)CC1 22781387 BNKVRBXHBHYQML-UHFFFAOYSA-N 443.595 3.701 0 40 IHAB Cc1ccc2c(c1)C(=O)C(=O)N2CN1CCN(C(c2ccccc2)c2ccccc2)CC1 22789071 AWOMIAWIOQGTOP-UHFFFAOYSA-N 425.532 3.889 0 40 IHAB O=C(NC[C@H](c1cccs1)N1CCc2ccccc2C1)C(=O)NC1CCCCCC1 22908093 HKYUYCWHZQAKRW-OAQYLSRUSA-N 425.598 3.803 0 40 IHAB COc1cc(OC)c(NC(=O)COC(=O)c2ccc(Br)cc2)cc1Cl 29269366 NDRPTZHITLKZTQ-UHFFFAOYSA-N 428.666 3.915 0 40 IHAB CCOc1c(Cl)cc(/C=C/C(=O)NCc2ccc(CN3CCOCC3)cc2)cc1OC 29882554 CDJCWIBHLLHSOE-CMDGGOBGSA-N 444.959 3.909 0 40 IHAB O=C(CCc1nnc(-c2ccsc2)o1)Nc1cccc(I)c1 30813538 GDBKFLFHKXFUNX-UHFFFAOYSA-N 425.251 3.974 0 40 IHAB O=C(N[C@H](c1cccs1)C1CCCC1)C1CCN(S(=O)(=O)c2cccnc2)CC1 31803320 LYMCPNOIFWCUNQ-FQEVSTJZSA-N 433.599 3.592 0 40 IHAB O=C(NCc1ccc(Cl)cc1)c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1 33325358 TZKNYDVNFGBHTC-HNNXBMFYSA-N 435.958 3.555 0 40 IHAB COc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCCc4ccccc43)C2=O)cc1OC 33470329 WIIIONDQSKVYAH-DEDYPNTBSA-N 438.505 3.720 0 40 IHAB C[C@H](NC(=O)c1ccccc1Cl)c1nnc(SCC(=O)Nc2ccccc2)n1C 33534517 URHXYBCMHWWCFS-ZDUSSCGKSA-N 429.933 3.690 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)NC[C@@H](c1ccccc1)N(C)C 34872029 QYVJZEBCFRMZEI-CVDCTZTESA-N 443.613 3.591 0 40 IHAB O=C(c1cccc(S(=O)(=O)Nc2ccccc2)c1)N1CCN(c2ccc(F)cc2)CC1 35683273 FPZQSNHUTMZLGO-UHFFFAOYSA-N 439.512 3.589 0 40 IHAB Cc1ccnc(NC(=O)CCn2c(=O)cc(C(F)F)c3cn(Cc4ccccc4)nc32)c1 36621521 YYTYVPQPHNVKLM-UHFFFAOYSA-N 437.450 3.916 0 40 IHAB CCN(CC)CCOc1ccc(CNS(=O)(=O)c2ccc(F)c3ncccc23)cc1 40105113 DOWSDBXSRYLTTC-UHFFFAOYSA-N 431.533 3.573 0 40 IHAB CC(=O)Nc1c(C)cccc1-c1nnc(S[C@H](C)C(=O)Nc2ccc(C)cc2)nc1O 44803226 MQLBWWIUWCCGMP-CQSZACIVSA-N 437.525 3.939 0 40 IHAB CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2ccc(Br)cc2F)c1=O 44840153 QDUSUYHKTKZCBK-GFCCVEGCSA-N 448.292 3.675 0 40 IHAB COc1ccc2c(C)cc(N3CCN(S(=O)(=O)c4ccc(C)cc4C)CC3)nc2c1 48314228 NMTSCDLOASBZML-UHFFFAOYSA-N 425.554 3.680 0 40 IHAB COc1cccc(CN(c2ccc(F)c(F)c2)S(=O)(=O)c2ccc3nnc(C)n3c2)c1 49408579 WRULAWMVKDDIQI-UHFFFAOYSA-N 444.463 3.720 0 40 IHAB CCCCN(C)C(=O)CSc1nc2ccsc2c(=O)n1Cc1ccccc1OC 57425612 YPXMXCQSPPWWKH-UHFFFAOYSA-N 431.583 3.866 0 40 IHAB Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(NC(=O)CCNC(=O)C(C)(C)C)cc2Cl)n1 60098340 ZLJJBKHFHWTSCE-OAHLLOKOSA-N 447.967 3.844 0 40 IHAB CCS(=O)(=O)CC(=O)Nc1ccc2oc(-c3cc(F)ccc3Br)nc2c1 64878568 NBLCOKHGLYEFPD-UHFFFAOYSA-N 441.278 3.770 0 40 IHAB CC(C)n1ncc2cc(C(=O)OCC(=O)N3N=C(c4ccco4)C[C@H]3c3ccco3)cnc21 70036839 JJFYOLUASYOZAO-SFHVURJKSA-N 447.451 3.733 0 40 IHAB COCCNC(=O)c1sc2ccccc2c1[C@H]1CCN(C(=O)c2oc(C)nc2C)C1 72352482 ZRKQHPNRWDHDIL-HNNXBMFYSA-N 427.526 3.512 0 40 IHAB O=S(=O)(Nc1cnc(Cl)c(Br)c1)c1cnn(Cc2ccccc2)c1 97143787 QTQOJGKWSZYFEH-UHFFFAOYSA-N 427.711 3.543 0 40 IHAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)c3cc(C)c(C)[nH]c3=O)CC2)on1 100743680 GHRWQMUEODTJOT-HDICACEKSA-N 435.528 3.757 0 40 IHAB COc1ccc(CN2N=N[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]32)cc1Br 101167764 UWXWQNWZHUYTQM-HZPDHXFCSA-N 449.692 3.605 0 40 IHAB O=C(O)c1ccccc1N/C=C1/C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)c2ccccc21 102230029 ZKBSUJWPXWHWFW-XDHOZWIPSA-N 442.427 3.749 0 40 IHAB COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccc(OC)cc2)cc1 102692819 YXULWJUBTNSZEX-DNVJHFABSA-N 430.460 3.755 0 40 IHAB COc1ccc([C@](C)(O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)c3ncccc23)cc1 107542356 YOJVUTYLYMRCJT-GMAHTHKFSA-N 426.538 3.613 0 40 IHAB CCOc1ccc(N(CCCC(=O)N[C@H](CC)c2ccc(OC)cc2)S(C)(=O)=O)cc1 113962633 ADBQJNJNXQPCGE-JOCHJYFZSA-N 448.585 3.908 0 40 IHAB CC(=O)OCC(=O)[C@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C 118915696 ZGSRADNVNCTCOP-IXBJAQPFSA-N 446.584 3.943 0 40 IHAB in-vitro COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1S(=O)(=O)c1c(Cl)cccc1Cl 206805883 XGCFUAFTLZWRIB-IAQYHMDHSA-N 448.299 3.516 0 40 IHAB CC[C@H](NS(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1)c1ccc(OC)c(OC)c1 219225829 OEELFKVGZZXWMQ-SFHVURJKSA-N 432.542 3.569 0 40 IHAB CCc1ccc(N([C@@H](C)C(=O)NCCSCc2ccccc2F)S(C)(=O)=O)cc1 220283838 AVPNGPQCJKLURX-INIZCTEOSA-N 438.590 3.592 0 40 IHAB CCCSc1nnc(NC(=O)CCCN(c2ccc(C)c(C)c2)S(C)(=O)=O)s1 224215371 DGVOZZSCPCQOLH-UHFFFAOYSA-N 442.632 3.842 0 40 IHAB CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)COc1cc(C)cc(C)c1 225460663 FFNLYAVURWWZMD-MRXNPFEDSA-N 433.346 3.608 0 40 IHAB O=C(c1ccnc(OC2CCOCC2)c1)N1CCN(c2cccc(Cl)c2Cl)CC1 253405662 SYTUMEWXGTWVEW-UHFFFAOYSA-N 436.339 3.909 0 40 IHAB Cc1cc(CN2CC[C@@H]3O[C@@H]4c5cccc(O)c5OC(C)(C)[C@H]4C[C@H]32)cc(C(=O)O)c1O 257212242 CCMNHASYUANSKR-GXKRZCMTSA-N 439.508 3.996 0 40 IHAB NC(=O)C[C@@]1(COc2cccc(Cl)c2)CN(Cc2ccc(C(F)(F)F)cc2)CCO1 257251202 JPVOGJMZGBUODT-FQEVSTJZSA-N 442.865 3.884 0 40 IHAB CC(C)(C)OC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1CCCC(=O)Nc1ncc[nH]1 257266468 MDDYHGZCNOFACM-MOPGFXCFSA-N 427.549 3.544 0 40 IHAB COc1cc2c(cc1CN1CCO[C@@H](c3cccc(Nc4ccccn4)n3)C1)OCCO2 257282158 OSPMOUJJTMRJSG-JOCHJYFZSA-N 434.496 3.574 0 40 IHAB CC(=O)Nc1ccc(NC(=O)CN2C[C@H]3CC[C@H](Cc4cc(C)ncn4)[C@H]3C2)c(Cl)c1 257311909 ULNOSRCQNMIPKZ-MBOZVWFJSA-N 441.963 3.536 0 40 IHAB O=C1N(Cc2ccsc2)CCO[C@@]12CN(Cc1ccc(F)cc1)C[C@H]2c1cccnc1 306124900 CBVLAKFNIALMSF-LADGPHEKSA-N 437.540 3.679 0 40 IHAB CC(C)n1nccc1[C@@H]1CN(C(=O)N2CCCC2)C[C@]12CCCN(Cc1ccccc1)C2=O 306135372 OOZQNFXBUMUZKV-BKMJKUGQSA-N 449.599 3.888 0 40 IHAB C[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 408583546 IGENYXAGCPKCSC-HNNXBMFYSA-N 442.924 3.877 0 40 IHAB CCc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 408654921 GYVJEUOCIBFRNJ-PMACEKPBSA-N 432.476 3.500 0 40 IHAB COCCN1C(=O)S/C(=C/c2ccccc2OCC(=O)Nc2ccc(F)cc2)C1=O 409138555 DPTMADSRMCKBNX-LDADJPATSA-N 430.457 3.526 0 40 IHAB Cc1cc(C(=O)N2CCCC[C@@H]2c2ncc(-c3cccc(F)c3)[nH]2)nc2nc(O)nc(O)c12 530563908 YWMPOUNPGIESAD-QGZVFWFLSA-N 448.458 3.641 0 40 IHAB CCCCn1c(=O)nc(O)c2c1nc(CN[C@@H](C)c1ccc(Oc3cccnc3)cc1)n2C 554743544 MLABMYBCRJEBDA-INIZCTEOSA-N 448.527 3.674 0 40 IHAB O=C(NCc1nc(C2CCC(F)(F)CC2)no1)C1CCN(C(=O)c2ccccc2)CC1 575617140 PPMADZMWGHQBLF-UHFFFAOYSA-N 432.471 3.531 0 40 IHAB Cc1nccn1CCOc1ccc(CN2CC[C@H](Oc3cccc(F)c3)[C@@](C)(O)C2)cc1 643550763 IBKHOEOOLQFUMN-DQEYMECFSA-N 439.531 3.814 0 40 IHAB O=C(Nc1ccc2c(c1)OCCO2)c1nnn(Cc2ccccc2F)c1-c1ccncc1 675007605 YIJDAUZTXIPDDP-UHFFFAOYSA-N 431.427 3.551 0 40 IHAB CN1CCC(N2CC[C@H]3CC(=O)Nc4cc(C(F)(F)F)ccc4OCC[C@H]3C2)CC1 1534646464 MBADCKPXYNOBEB-HOTGVXAUSA-N 425.495 3.849 0 40 IHAB O=C(NCC1(OCCO)CCC(F)(F)CC1)c1cc2ccccc2n1CC(F)(F)F 1557548512 BCWYIOYCXVZNIG-UHFFFAOYSA-N 434.405 3.890 0 40 IHAB CCCCn1c(N)c(C(=O)NCCc2ccc(OC)c(OC)c2)c2nc3ccccc3nc21 2253924 QQGCMDRYAUEARV-UHFFFAOYSA-N 447.539 3.957 0 40 IHAB CC(C)[C@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2ccccc2Cl)o1 2411502 WVTYDKLYPZOZOS-AWEZNQCLSA-N 429.926 3.919 0 40 IHAB C[C@@H](OC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3)C(=O)N1CCCc2ccccc21 2628264 LOKZJEJSKKIRKU-QGZVFWFLSA-N 445.519 3.648 0 40 IHAB COc1ccc(N(CC(=O)NCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 3357677 NXTWBYHUPODGQC-UHFFFAOYSA-N 444.940 3.860 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(OC)cc2OC)cc1 3368317 XPYDBQPBJDVOLW-UHFFFAOYSA-N 442.493 3.766 0 40 IHAB c1cnc(N2CCN(c3nc(-c4cccnc4)nc4sc5c(c34)CCCC5)CC2)nc1 3396823 DIYKXJGFFQRTQJ-UHFFFAOYSA-N 429.553 3.749 0 40 IHAB Cc1cc(C(=O)CSc2nnnn2-c2ccc(Cl)cc2)c(C)n1C[C@@H]1CCCO1 3492928 GIXHWKYBMULRCW-KRWDZBQOSA-N 431.949 3.888 0 40 IHAB aggregator COc1ccc(C(=O)COC(=O)c2cccc(OCc3c(C)noc3C)c2)c(OC)c1 3522837 YOXRQVZBMOBDGX-UHFFFAOYSA-N 425.437 3.927 0 40 IHAB CCc1nnc2sc(-c3ccc(C)c(NC(=S)NC(=O)c4ccccc4F)c3)nn12 4125379 IPQWSUYBGZDYOR-UHFFFAOYSA-N 440.529 3.990 0 40 IHAB COc1ccc2cc(CN(Cc3ccccc3)C(=S)NC[C@H]3CCCO3)c(=O)[nH]c2c1 6282799 DWQIFFOKQDOCOS-OAQYLSRUSA-N 437.565 3.592 0 40 IHAB Cc1cccc(C)c1O[C@@H](C)C(=O)NC[C@@H](C)NC(=O)[C@@H](C)Oc1c(C)cccc1C 8163781 GZYXHVUWYJISGZ-QHAWAJNXSA-N 426.557 3.776 0 40 IHAB CSc1nc(NC(C)C)c2cnn(CCNC(=O)c3cccc(C(F)(F)F)c3)c2n1 8941568 VTXAIOJRSNFNQI-UHFFFAOYSA-N 438.479 3.817 0 40 IHAB CCCn1c(NC(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)nc2ccccc21 9112521 FDGYIKUSCMXOQK-WNSKOXEYSA-N 425.533 3.522 0 40 IHAB Cc1cc(C)cc(N2C[C@H](c3nnc(NC(=O)c4ccc5c(c4)OCO5)s3)CC2=O)c1 9198211 ZORGKJDRKZPTHD-OAHLLOKOSA-N 436.493 3.656 0 40 IHAB Cc1sc2nc([C@@H](C)OC(=O)C[C@H]3Sc4ccccc4NC3=O)[nH]c(=O)c2c1C 9389941 MFLDCOSQJBXJDF-QMTHXVAHSA-N 429.523 3.709 0 40 IHAB O=C(CSc1nnc(-c2ccccc2F)n1-c1ccccc1)NCCc1ccccn1 9441401 CIFQRSNKJVCFDW-UHFFFAOYSA-N 433.512 3.919 0 40 IHAB Cc1ccc(S(=O)(=O)N(Cc2cccnc2)Cc2cc3cccc(C)c3[nH]c2=O)cc1 9451742 HFXWWANBMAXBSC-UHFFFAOYSA-N 433.533 3.931 0 40 IHAB COC(=O)c1ccc2c(=O)[nH]c(COC(=O)c3ccccc3OCc3ccccc3)nc2c1 9463910 IGEDJUJLSRSXNP-UHFFFAOYSA-N 444.443 3.646 0 40 IHAB O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)N[C@@H]1CCCc2ccccc21 9631793 OCNGXPKHZPJNGD-HSZRJFAPSA-N 439.515 3.676 0 40 IHAB CCCc1sc(C(=O)OCC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1CC 9824678 BJAMNKWSJAFUAZ-UHFFFAOYSA-N 442.459 3.592 0 40 IHAB O=C(c1cc(Cl)nc2ccccc12)N1CCC(NS(=O)(=O)c2cccs2)CC1 11451085 AGFVFNYFBWVURB-UHFFFAOYSA-N 435.958 3.533 0 40 IHAB Cc1nn(CC(=O)Nc2cccc(C(F)(F)F)c2)c(=O)c2c1cnn2-c1ccc(F)cc1 12228323 ZIESCTJUCCTUFU-UHFFFAOYSA-N 445.376 3.687 0 40 IHAB CN(C)c1nc2c(c(N3CCC(N4CCCCC4)CC3)n1)CN(Cc1ccccc1)CC2 12325727 RWMNUABSQAAXET-UHFFFAOYSA-N 434.632 3.556 0 40 IHAB COc1ccc(NC(=O)c2ccc(CNS(=O)(=O)c3ccc(F)cc3)cc2)c(OC)c1 12389412 UHVDIGGOMVLBTF-UHFFFAOYSA-N 444.484 3.574 0 40 IHAB CCOc1nn(CC)cc1-c1nnc(SCC(=O)N2CCCc3ccccc32)n1CC 12422707 BACKAEKHXCWXHD-UHFFFAOYSA-N 440.573 3.652 0 40 IHAB CCn1c(S[C@H](C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)nc2ccccc21 12520488 VMURORZUODQJNB-OAHLLOKOSA-N 446.598 3.734 0 40 IHAB COc1cc(-c2nnc(SCC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)o2)cc(OC)c1OC 12532748 JBIHSSCTJIOUBJ-VNHYZAJKSA-N 435.546 3.795 0 40 IHAB Cc1[nH]c(SCCOc2ccc(S(=O)(=O)N(C)C)cc2)nc1Cc1ccccc1 12558650 AZETWYHWYYGZEA-UHFFFAOYSA-N 431.583 3.730 0 40 IHAB CCNS(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(C(C)C)cc3)s2)cc1 12787015 GARVFCFOJXBEDV-UHFFFAOYSA-N 430.555 3.879 0 40 IHAB C[C@H](NC(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cc1Cl 12798266 QZDIJEALAJNNMM-ZDUSSCGKSA-N 434.323 3.727 0 40 IHAB CC(C)(C)NC(=O)[C@H](c1ccccn1)N(C(=O)c1csnn1)c1ccccc1Cl 12870858 KGFFOZNAZGODNL-KRWDZBQOSA-N 429.933 3.889 0 40 IHAB Cc1nn(Cc2ncc(-c3ccc(F)cc3)o2)c(C)c1S(=O)(=O)N(C)Cc1ccco1 12932585 MNDUWGWTVYJMJO-UHFFFAOYSA-N 444.488 3.756 0 40 IHAB Cc1nc2ccc(NC(=O)CCN3C(=O)c4ccccc4N4C(=O)CC[C@@]34C)cc2s1 12974350 BYBOFAFSMMXPRD-QHCPKHFHSA-N 434.521 3.932 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCOc1cc(C)ccc1C 13108578 VQFACEYMQYVHIY-UHFFFAOYSA-N 446.569 3.894 0 40 IHAB COc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4C)[nH]c(=O)c32)c(OC)c1 13567363 VYNVVVRAWKAMPM-KRWDZBQOSA-N 437.521 3.862 0 40 IHAB CCOC(=O)C1=C(C)Oc2ncn3nc(-c4ccccc4O)nc3c2[C@H]1c1ccccc1 13572325 KFOUIBDGPFVYRA-IBGZPJMESA-N 428.448 3.858 0 40 IHAB COc1ccc(CNC(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3)c2)cc1OC 17298832 IOONUOKDWFWWEG-UHFFFAOYSA-N 440.521 3.743 0 40 IHAB Cc1ccc2c(COC(=O)CCc3nc4ccccc4c(=O)n3C3CC3)cc(=O)oc2c1 18995086 BKKLDGFMJUWXPB-UHFFFAOYSA-N 430.460 3.822 0 40 IHAB Cc1ccsc1CN1CCc2nc([C@@H]3CCCN3C(=O)C3CCCC3)[nH]c(=O)c2C1 19238667 JOZLCNPDHCOIMW-IBGZPJMESA-N 426.586 3.552 0 40 IHAB Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)n1 19290141 ZYYDICVZNVHTRD-LJQANCHMSA-N 448.546 3.565 0 40 IHAB O=C(CN1CCC(n2cnc3cccnc32)CC1)NC(c1ccccc1)c1ccccc1 19369545 LZYLUHSIYKOJKG-UHFFFAOYSA-N 425.536 3.974 0 40 IHAB CN(C)c1ncc(-c2ccccc2F)c([C@H]2CCCN(C(=O)c3n[nH]c4c3CCC4)C2)n1 19693931 ZUTQWSDLWIFCEL-HNNXBMFYSA-N 434.519 3.580 0 40 IHAB Cc1nc([C@H]2CCCN(C(=O)c3cnn(C)c3C)C2)nc2c1CCCN2Cc1ccccc1 19707025 VAEUGVABLLKSTE-NRFANRHFSA-N 444.583 3.800 0 40 IHAB Cc1nc(N)c2c(C(F)(F)F)cc(C3CCN(C(=O)COc4ccccc4)CC3)nc2n1 19743241 YRRSVAPUFOMGKE-UHFFFAOYSA-N 445.445 3.719 0 40 IHAB CC(C)(C)SCCNC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 19860893 VVKBSERZMWUZKS-INIZCTEOSA-N 433.039 3.530 0 40 IHAB COC(=O)c1nc2n(n1)[C@@H](c1ccccc1Cl)C(C(=O)OC1CCCCC1)=C(C)N2 20117115 WENCNENAEZSJDU-KRWDZBQOSA-N 430.892 3.883 0 40 IHAB Cn1cc(C(=O)Nc2cccc(S(=O)(=O)Nc3ccc(SC(F)F)cc3)c2)cn1 20900733 QJPFEHKPVLOPSI-UHFFFAOYSA-N 438.481 3.788 0 40 IHAB CC(C)CNC(=O)c1ccccc1NC(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 22390499 SJJRRTRERAONAW-UHFFFAOYSA-N 445.585 3.601 0 40 IHAB CCOc1cccc(N(CC(=O)N[C@@H](CC(C)C)c2ccc(OC)cc2)S(C)(=O)=O)c1 22398461 KXXZIHYZCWPMAE-QFIPXVFZSA-N 448.585 3.764 0 40 IHAB C[C@H](NC(=O)COc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(F)cc1 22537130 OEUKGAPHYZDOEE-KRWDZBQOSA-N 434.533 3.647 0 40 IHAB COc1ccc(-c2nc(NC(=O)CN(C)S(=O)(=O)c3ccc(C)cc3)sc2C)cc1 24782348 BMJFHROFADHDFM-UHFFFAOYSA-N 445.566 3.695 0 40 IHAB COc1cc2c(cc1OC)-c1c(c(C(=O)Nc3nnc(C)s3)nn1-c1ccccc1)C2 31809383 NPLAFYPVMZPPLZ-UHFFFAOYSA-N 433.493 3.873 0 40 IHAB Cc1c(C(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)cnn1-c1ccc(O)nn1 32754685 YHWGFTVDAAHAHD-FQEVSTJZSA-N 438.491 3.720 0 40 IHAB COc1ccc(OCCNc2nc(CN3CCOCC3)nc3sc(C)c(C)c23)cc1 32806439 QNDIQIVVKWERKD-UHFFFAOYSA-N 428.558 3.640 0 40 IHAB C[C@@H](Sc1nc(N)cc(N)n1)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 40159227 DNHXLCHGWDACNB-IAQYHMDHSA-N 442.932 3.746 0 40 IHAB O=C(Cn1nc(-c2ccc(Br)cc2)ccc1=O)c1ccc2c(c1)OCCCO2 44920570 MVMSGEYRYMOCRU-UHFFFAOYSA-N 441.281 3.717 0 40 IHAB CC(=O)c1cccc(NC(=O)N[C@@H]2CCN(c3ccnc(Nc4ccc(F)cc4)n3)C2)c1 45334319 KAYBYHOOMQFOKH-HXUWFJFHSA-N 434.475 3.962 0 40 IHAB O=C(c1ccco1)[C@H]1[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 49899653 QVQWILUXLJHDTC-MYGLTJDJSA-N 428.419 3.817 0 40 IHAB O=C(NC(=S)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1)c1ccccc1 57316713 JBZBNYYPITYZDT-UHFFFAOYSA-N 431.842 3.733 0 40 IHAB COc1cccc(N2CCN(Cc3csc(CC(=O)Nc4ccc(C)cc4)n3)CC2)c1 57338471 QJCTVSHDECSSJC-UHFFFAOYSA-N 436.581 3.964 0 40 IHAB CC[C@H](C)n1c(SCC(=O)Nc2cc(OC)cc(OC)c2)nc2cc(C)[nH]c2c1=O 67238955 KCEKLVQFRVVIHX-ZDUSSCGKSA-N 430.530 3.752 0 40 IHAB CC[C@@H](C)n1c(SCC(=O)Nc2ccc(OC)c(OC)c2)nc2cc(C)[nH]c2c1=O 67238988 QOUPESVWZUFOGZ-CYBMUJFWSA-N 430.530 3.752 0 40 IHAB CCOc1ccccc1NC(=O)c1nnn(CC(=O)Nc2cccc(Cl)c2C)c1C 71327020 MEFGHXPTLJBCOR-UHFFFAOYSA-N 427.892 3.838 0 40 IHAB NC(=O)c1cccc(-c2cnc(N)nc2[C@H]2CCCN(C(=O)CCCc3ccccc3)C2)c1 72346234 JQTVOTOWZCJEHJ-NRFANRHFSA-N 443.551 3.554 0 40 IHAB O=C1NCCN(C(=O)CCc2ccc(Cl)cc2)[C@H]1Cc1ccccc1-c1cccnc1 72351528 GHGYQUJXDLOLGY-QHCPKHFHSA-N 433.939 3.904 0 40 IHAB CNc1nc([C@@H]2CCCCN2C(=O)C2(c3ccc(F)cc3)CCCC2)nc2c1CNCC2 72372348 VFSFZFXBDIGFRK-NRFANRHFSA-N 437.563 3.869 0 40 IHAB Cc1nc(Cn2cnc(-c3cc(C(=O)NCc4cccnc4)c4ccccn34)c2)cs1 96037934 KXLLVLRNZHAREO-UHFFFAOYSA-N 428.521 3.941 0 40 IHAB COc1ccccc1CNC(=O)C1CCN(c2cc(-n3ccc4ccccc43)ncn2)CC1 96124038 PMWPOYCKLWLHCO-UHFFFAOYSA-N 441.535 3.962 0 40 IHAB CC(C)N1CCc2c(nc3cc([C@@H]4CCCCN4C(=O)Cc4ccsc4)nn3c2O)C1 100234092 VQVJNGCHBZLKIP-FQEVSTJZSA-N 439.585 3.559 0 40 IHAB COc1ccccc1[C@@H]1c2ccc(O)cc2Oc2ncn(CCCn3ccnc3)c(=N)c21 101365182 LSJNRPCNJCIMNG-OAQYLSRUSA-N 429.480 3.649 0 40 IHAB C[C@H](NC(=O)CSc1nnc(Cc2cccc3ccccc23)n1N)[C@@H]1C[C@@H]2CC[C@@H]1C2 103141400 ZMVFODQCPLMNCM-HXQKEGBBSA-N 435.597 3.769 0 40 IHAB CC[C@H](C(=O)NCc1ccc(Cl)cc1)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 220756401 DJYPPUGUXHSKCI-MRXNPFEDSA-N 445.368 3.863 0 40 IHAB CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)COc1ccc(Br)cc1 223226530 KHBFFAHIOSRWSB-GOSISDBHSA-N 437.309 3.520 0 40 IHAB O=C(O)c1ccc(Cl)c(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCO)o2)c1 223596244 CNEDKEDGRQZMNP-MOPGFXCFSA-N 443.912 3.658 0 40 IHAB COc1cccc(-c2noc(CNS(=O)(=O)Cc3ccc(Cl)cc3Cl)n2)c1 223645934 PDCOUXBJMSGABG-UHFFFAOYSA-N 428.297 3.672 0 40 IHAB CCCC[C@@H](CC)CNS(=O)(=O)c1ccc(OC)c(I)c1 223982335 ABUFHUQRVXJOHQ-GFCCVEGCSA-N 425.332 3.795 0 40 IHAB COc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(OC)c(OC)c3)cc2)c1 224528673 UFBDWZMTJOIPQM-UHFFFAOYSA-N 442.493 3.766 0 40 IHAB COc1cccc(OCCNC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)c1 224547615 MCICGCDJYDYRMN-UHFFFAOYSA-N 447.373 3.865 0 40 IHAB CCOc1ccccc1CCCNS(=O)(=O)c1ccc2c(c1)sc(=O)n2C(C)C 225709833 VMLVQYZXWAJMPA-UHFFFAOYSA-N 434.583 3.954 0 40 IHAB COc1ccc(CNC(=S)Nc2nc(N3CCCC3)cc(N3CCC(C)CC3)n2)cc1 225930224 CHFJYRZAUWDXQE-UHFFFAOYSA-N 440.617 3.808 0 40 IHAB Cc1cc(N2CCc3ccccc3C2)nc(NC(=S)NCc2ccc3c(c2)OCO3)n1 226013419 GLSKOFWHSRYRSE-UHFFFAOYSA-N 433.537 3.563 0 40 IHAB O=C(COc1ccc(-c2cc3ccccc3c(=O)o2)cc1)N[C@@H](Cc1ccccc1)C(=O)O 256027959 LTWPMIAZKNQCEJ-QFIPXVFZSA-N 443.455 3.651 0 40 IHAB CC(=O)NCCn1cc(NC(=O)c2ccc3c(c2O)[C@@H]2C[C@H](C)CC[C@H]2C(C)(C)O3)cn1 257228666 FUUJJIPFZNKKBI-NIKGAXFTSA-N 440.544 3.668 0 40 IHAB CCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(OC)c(Cn5cncn5)c4)OCC[C@@]31C2 257232944 GNBJSJLMOWEWKM-PCXUCGPOSA-N 438.572 3.744 0 40 IHAB CC(C)(Cc1ccccc1)NC(=O)CN1CCC[C@](O)(COc2ccccc2F)CC1 257235988 HAJWFGGZKLZGBC-RUZDIDTESA-N 428.548 3.559 0 40 IHAB O=C1CC2(CCN(C(=O)C3(Cc4ccccc4)CCOCC3)CC2)[C@H](c2ccccc2)CN1 257249458 JILWPBFRECDKIJ-DEOSSOPVSA-N 446.591 3.938 0 40 IHAB CN(C(=O)c1ccccc1F)[C@H]1CC[C@@]2(CCO)C[C@H](c3ccccc3)C[C@](C)(O2)[C@@H]1O 257338322 YWXCIAKGWWUBGF-OETSAPNCSA-N 441.543 3.895 0 40 IHAB CCC[C@H](C)NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1cc(C)ccc1OC 408626444 YYOQJZJWDDXQFX-IBGZPJMESA-N 432.586 3.542 0 40 IHAB O=C(Oc1cccc(N2C(=O)CCCC2=O)c1)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 408674425 ZMEMNOSJFSXXNI-GOSISDBHSA-N 442.471 3.842 0 40 IHAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cc(Br)cc(Cl)c2O)C1=O 409010501 FFEYRDVJMCSYSR-VWJVTLSUSA-N 434.695 3.796 0 40 IHAB O=C(COC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1)Nc1ccc(F)c(Cl)c1 409122844 CHXIBGLSQXMECO-NSHDSACASA-N 425.243 3.667 0 40 IHAB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OC(C)=O)cc3)C2=O)cc1 409151790 ICHITCQMZUSHDK-XDHOZWIPSA-N 440.477 3.686 0 40 IHAB C[C@H]1CN(C(=O)c2ccc(CNC(=O)NCc3nc4ccccc4s3)cc2)C[C@H](C)O1 513885306 OMUSPHYYJWCNOJ-HOTGVXAUSA-N 438.553 3.545 0 40 IHAB C[C@@]1(O)CCN(C(=O)NC2CCCCC2)[C@@H](c2cccs2)[C@@H]1NC(=O)C1CCCC1 514289367 JAUSUXXBPYSNSJ-SXWKCWPCSA-N 433.618 3.963 0 40 IHAB biogenic,in-vitro O=C(Cc1ccc(F)cc1F)N1CCC(Cn2nc(-c3ccc(F)cc3)ccc2=O)CC1 1565523245 KEHODHNTQJRHOF-UHFFFAOYSA-N 441.453 3.809 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(C(=O)N=[S@@](C)(=O)c3ccccc3)cc2)cc1 1635434667 QHOYVWQKJHEIHZ-LJAQVGFWSA-N 444.534 3.793 0 40 IHAB Cn1c(=O)n(CC(=O)N2CCCC[C@@H]2c2ncc(Cc3ccccc3)o2)c2ccccc21 1848353300 DWJSKVWPHQFQLQ-JOCHJYFZSA-N 430.508 3.673 0 40 IHAB CCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 628269 KDLNWEXBRJSVPI-UHFFFAOYSA-N 432.523 3.687 0 40 IHAB CC1=C(C(N)=O)[C@@H](c2ccc(OCc3c(Cl)cccc3Cl)cc2)N2NC=NC2=N1 936891 NUBWOPZCWWAWBE-GOSISDBHSA-N 430.295 3.591 0 40 IHAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccc(O)c2)N1Cc1ccc2c(c1)OCO2 2704037 QBVIXDNSKOPNPB-QFIPXVFZSA-N 427.412 3.973 0 40 IHAB CCOC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)C1=O 2989338 XYSBXWHOPFBPGQ-NVNXTCNLSA-N 435.841 3.898 0 40 IHAB O=C(O)c1nn(Cc2cc(F)cc3c2O[C@H](c2ccccc2)OC3)c(=O)c2ccccc12 3305858 NNLFRCSIOCVROR-XMMPIXPASA-N 432.407 3.890 0 40 IHAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cccc(Oc2ccccc2)c1 8879865 ZXUCYVHXBKWMJZ-UHFFFAOYSA-N 426.494 3.990 0 40 IHAB C=CCNC(=S)N/N=C/c1ccc(OC)c(CSC2=N[C@@H]3C=CC=C[C@H]3S2)c1 8895536 RTTRPUQABJMQNX-YDENCQFZSA-N 430.624 3.878 0 40 IHAB Cc1noc(C)c1S(=O)(=O)NC[C@@H](c1ccc(N(C)C)cc1)c1c[nH]c2ccccc12 9126157 XIQOEDUBQNECGD-FQEVSTJZSA-N 438.553 3.949 0 40 IHAB COc1ccc(-c2nnc3ccc(SCC(=O)OCc4ccccc4)nn23)cc1OC 9415572 GHEWTINZVDTXAA-UHFFFAOYSA-N 436.493 3.644 0 40 IHAB CC1(C)C[C@H]([C@H](CCNC(=O)CN2C(=O)c3ccccc3C2=O)c2ccccc2)CCO1 9462548 ICVLHYUIIYLZHL-WOJBJXKFSA-N 434.536 3.778 0 40 IHAB CCOC(=O)CCC(=O)Nc1c(C(=O)Nc2cc(OC)ccc2OC)oc2ccccc12 9518436 OVTSKTVCYJHOKM-UHFFFAOYSA-N 440.452 3.984 0 40 IHAB NC(=O)c1ccsc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 9714848 QQSAYCPAVQPILY-UHFFFAOYSA-N 435.914 3.554 0 40 IHAB Cc1c(C)n2c3c(=O)n(CCc4ccccc4)c(=O)n(C)c3nc2n1[C@H](C)c1ccccc1 10104199 OMKOPAVZLVXRML-LJQANCHMSA-N 441.535 3.618 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCCCc1ccccc1 10110340 ILHKQQKPZLJKSJ-UHFFFAOYSA-N 430.570 3.623 0 40 IHAB COc1ccc(S(=O)(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1C(=O)N1CCCC1 10544176 JCDFJKJLQLIPRG-IBGZPJMESA-N 444.553 3.512 0 40 IHAB CC(C)c1ccc(OCC(=O)Nc2cc(C3CC3)nn2-c2nc3c(c(=O)[nH]2)CCCC3)cc1 12130553 HAHUEEBGVQYHJC-UHFFFAOYSA-N 447.539 3.853 0 40 IHAB COc1ccc(NC(=O)CCCn2nc(-c3ccc(Cl)cc3)ccc2=O)c(OC)c1 12440853 KFRWMCSTQOQDFP-UHFFFAOYSA-N 427.888 4.000 0 40 IHAB CNC(=O)CSc1nc(-c2ccccc2)c(NC(=O)c2c(OC)cccc2OC)s1 12442948 YSOHVMBWKMLIGF-UHFFFAOYSA-N 443.550 3.918 0 40 IHAB CC(C)c1ccc(-c2csc(NC(=O)C3=NN(c4ccccc4)[C@H](C(N)=O)C3)n2)cc1 12739358 IUUURCIGKLVRQV-FQEVSTJZSA-N 433.537 3.992 0 40 IHAB C[C@@H](OC(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccccc1F 12756791 WNPUAONVNCSGKS-IXGIMOCASA-N 442.531 3.903 0 40 IHAB COc1ccc(C(N)=O)c(OCC(=O)N(Cc2ccco2)C23CC4CC(CC(C4)C2)C3)c1 12760208 CRKKQQZXKIAJEZ-UHFFFAOYSA-N 438.524 3.764 0 40 IHAB COc1ccccc1[C@@H](c1nnnn1C(C)(C)C)N1CCN(c2cc(C)ccc2C)CC1 13504005 QPIITUDEWOEIEZ-QHCPKHFHSA-N 434.588 3.965 0 40 IHAB COc1ccc(O)c(C(=O)c2cc(-c3nc4ccccc4c(=O)[nH]3)n(C[C@H]3CCCO3)c2)c1 14083597 XXTVHDWTXMBHBM-QGZVFWFLSA-N 445.475 3.516 0 40 IHAB CCOc1cc(C(=O)OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc(Br)c1OC 14129421 JZRMPODBIARPSS-STQMWFEESA-N 428.323 3.803 0 40 IHAB Cn1nc(-c2ccc(Cl)cc2)cc1NC(=O)CSc1nnc(-c2cccnc2)o1 14157344 UYMLULTUPSOGRM-UHFFFAOYSA-N 426.889 3.916 0 40 IHAB O=C(CCc1nc(-c2ccsc2)no1)Nc1cc2c(cc1Br)OCCO2 15610176 FKQZDWWAPRIRIH-UHFFFAOYSA-N 436.287 3.903 0 40 IHAB COc1ccc(-c2nc3s/c(=C\c4ccc(-c5ccc(C(C)=O)cc5)o4)c(=O)n3n2)cc1 16732803 RKCJDIMWLMRSBN-BKUYFWCQSA-N 443.484 3.837 0 40 IHAB O=C(Nc1ccc2c(c1)COC2=O)c1cc([C@@H]2CCCN(C(=O)C3CCCCC3)C2)no1 19346202 GOYZYJULXDGJOY-MRXNPFEDSA-N 437.496 3.884 0 40 IHAB NC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CCN(C(=O)c2cccc3ncccc23)C1 19348443 ZNHAGOUZBHRXQH-HHHXNRCGSA-N 436.515 3.857 0 40 IHAB CSc1nc2nc(C)c(CC(=O)OCc3csc(-c4ccsc4)n3)c(C)n2n1 19358027 VNKTUWDLOQIVAA-UHFFFAOYSA-N 431.568 3.934 0 40 IHAB CNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)Cc2ccccc2)C1 19591137 UHTFBFKKOSZNCC-MHZLTWQESA-N 427.548 3.889 0 40 IHAB CSc1nc2nc(C)c(CC(=O)OCc3cc(Cl)c4c(c3)OCCCO4)c(C)n2n1 19615781 HNMAGYWNJQFVHJ-UHFFFAOYSA-N 448.932 3.564 0 40 IHAB CCCOC(=O)c1ccc2[nH]c(C)c(CN3CCN(Cc4ccccc4)CC3)c(=O)c2c1 19793289 QOAGOBNZFFMORK-UHFFFAOYSA-N 433.552 3.721 0 40 IHAB CCCNS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccc(SC)cc2)c(C)c1 20022192 JKTDQWUQHURNRW-INIZCTEOSA-N 436.599 3.661 0 40 IHAB Clc1ccc([C@H]2N=C3NCN(Cc4ccccn4)CN3c3nc4ccccc4n32)cc1 20101306 HZTSHGGFLXVTNJ-NRFANRHFSA-N 429.915 3.828 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccnc2)c2ccc(C)c(Cl)c2)cc1 20236500 MDYJTLIZJPFWOF-UHFFFAOYSA-N 443.956 3.864 0 40 IHAB Cc1ccccc1OC[C@H](C)NC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 22361923 FDDINCBQZRSPJP-AWEZNQCLSA-N 445.368 3.652 0 40 IHAB C[C@H]1CCc2c(sc3nc(CCC(=O)NCCc4c[nH]c5ccccc45)[nH]c(=O)c23)C1 23126472 IRYZGSKUHVVKIE-AWEZNQCLSA-N 434.565 3.882 0 40 IHAB Cc1ccc(NC(=O)C[C@H]2C(=O)N(Cc3cccnc3)c3nc4ccccc4n32)c(F)c1 23411345 IGOLCCRARKJPBP-NRFANRHFSA-N 429.455 3.996 0 40 IHAB O=C(Cc1csc(-c2ccsc2)n1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 23995201 DNJNCEATZZMMNA-UHFFFAOYSA-N 425.579 3.693 0 40 IHAB CCOc1ccc(-n2c(SCC(=O)Nc3nccs3)nnc2-c2ccncc2)cc1 25125491 CENSAUBXPCDNQI-UHFFFAOYSA-N 438.538 3.915 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3sc(-c4ccccc4)nc3C)CC2)s1 25778125 WCFANXQWKJHJCG-UHFFFAOYSA-N 447.607 3.635 0 40 IHAB C[C@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)NCCCc1ccccc1 32092283 RBLPXHRTNZTVQX-KRWDZBQOSA-N 432.549 3.954 0 40 IHAB CCCN(CC(F)(F)F)C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 32915576 RBMVMAFURGNWHN-UHFFFAOYSA-N 426.460 3.853 0 40 IHAB O=C(CN1CCC[C@H](c2nc3ccccc3s2)C1)N[C@H]1CCN(Cc2ccccc2)C1 35262656 ZVTHZKNSRZHPIO-SFTDATJTSA-N 434.609 3.866 0 40 IHAB Cc1ccc(SCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)cc1 36391522 QXGNOSFNYFWMGG-QGZVFWFLSA-N 438.640 3.674 0 40 IHAB COc1ccc(CNC(=O)N2CCN(c3nc4c(C)ccc(C)c4s3)CC2)cc1OC 38550962 PEYNMZMFFRUBBZ-UHFFFAOYSA-N 440.569 3.962 0 40 IHAB COc1ccc2c(C)c(CCC(=O)N3CCC[C@@H](C(=O)Nc4ccccc4)C3)c(=O)oc2c1 40017427 IURHPPQFPHAVDP-GOSISDBHSA-N 448.519 3.920 0 40 IHAB CN(Cc1nc2ccccc2s1)C(=O)c1cn(-c2ccccc2Br)nn1 40079644 RWDRSTSTSBORRH-UHFFFAOYSA-N 428.315 3.912 0 40 IHAB CCN1CCN(c2ccc(NC(=O)c3cnn4c(-c5ccccc5)ccnc34)cc2)CC1 40145077 SYQOZFBVVGOXKX-UHFFFAOYSA-N 426.524 3.791 0 40 IHAB COc1ccc(C(=O)OCc2cc(=O)n3oc(C)cc3n2)cc1NC(=O)c1ccc(C)cc1 41089523 QZLVHZQZJKHDJS-UHFFFAOYSA-N 447.447 3.522 0 40 IHAB COc1ccc(NC(=O)Cn2cccc(-c3nc(-c4ccccc4C)no3)c2=O)cc1OC 49002555 ZPENKACZNSCXEH-UHFFFAOYSA-N 446.463 3.530 0 40 IHAB CCOc1ccccc1N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2)CC1 57416611 DFEKXWBMHSKZBL-INIZCTEOSA-N 445.922 3.580 0 40 IHAB O=C(NC1CC1)c1ccc(NC(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)cc1 64787517 OAJOUSAUEZZZKS-MRXNPFEDSA-N 432.307 3.877 0 40 IHAB COc1cc(OC)c(NC(=O)N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)cc1Cl 65566507 SMNAMPKCTASXSY-GJZGRUSLSA-N 425.957 3.710 0 40 IHAB Cc1cccc(-c2noc(-c3ccc(=O)n(CC(=O)NCc4ccc(Cl)cc4)c3)n2)c1 67289585 KCVBLTKYPVVDFU-UHFFFAOYSA-N 434.883 3.844 0 40 IHAB COc1ccc(NC(=O)NCCC(=O)Nc2ccc(C)cc2-c2nc(C3CC3)n[nH]2)cc1 69741208 GXQOBGPHDFUZPG-UHFFFAOYSA-N 434.500 3.816 0 40 IHAB COc1ccc2c(c1)C=C(C(=O)N1CCC[C@@H](c3cc(-c4cnn(C)c4)cc(C)n3)C1)CO2 72353675 WTWCUPUCTQBYOS-GOSISDBHSA-N 444.535 3.981 0 40 IHAB COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NCCCn4ccnc4)c3N2)cc1 100594835 VNWPAHHRXQZSNJ-ROUUACIJSA-N 448.449 3.569 0 40 IHAB COc1cccc(N([C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)S(C)(=O)=O)c1 220175015 SSFZDAPBIBEMKA-GOSISDBHSA-N 438.549 3.756 0 40 IHAB CCOc1ccccc1NC(=O)[C@H](C)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 220190601 PDNMGHLBXVYVIJ-ZDUSSCGKSA-N 430.448 3.897 0 40 IHAB CCSc1ccccc1NC(=O)[C@H](C)N(c1cc(OC)ccc1OC)S(C)(=O)=O 220223050 GTPPTHGSXRAPIJ-AWEZNQCLSA-N 438.571 3.609 0 40 IHAB C[C@@H](C(=O)Nc1nnc(-c2ccccc2)s1)N(c1ccc(Cl)cc1)S(C)(=O)=O 223448817 LOQHJDQEDULWSY-LBPRGKRZSA-N 436.946 3.652 0 40 IHAB COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Br)s1 223711240 YTCSWSHSQBXKNM-JKSUJKDBSA-N 440.388 3.831 0 40 IHAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)C1 224180085 DJYNSFDGMLDMIN-BGYRXZFFSA-N 443.613 3.610 0 40 IHAB Cc1cc(NC(=O)[C@@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)ccc1Br 224891482 NXXQMQKOXVPUGV-LLVKDONJSA-N 447.301 3.829 0 40 IHAB COC[C@H]1CCCN1Cc1nc(C2(O)CCN(C3CCC(F)(F)CC3)CC2)cs1 225423525 VXOPUNQWUYUTEL-QGZVFWFLSA-N 429.577 3.615 0 40 IHAB biogenic,in-vitro O=C(Nc1ccccc1CCc1ccccn1)c1cn(C[C@@H](O)c2ccccc2F)nn1 225581113 IHWCJOYFXHIKAA-HSZRJFAPSA-N 431.471 3.583 0 40 IHAB NC(=O)c1ccc(OCc2cccc(Br)c2)c(I)c1 226326318 MORVBIODNORDMA-UHFFFAOYSA-N 432.055 3.732 0 40 IHAB Cc1ccnn1CCC(=O)N1CCC(Cc2ccccc2-c2cccs2)(C(N)=O)CC1 257257119 KODMGMWTLFTXDJ-UHFFFAOYSA-N 436.581 3.647 0 40 IHAB CCCN1CCN(C(=O)c2cn[nH]c2CC)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O 257276481 NTXKJODRGMEFNP-OAQYLSRUSA-N 445.567 3.587 0 40 IHAB O=C(CN1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1)Nc1ccc(OC(F)F)cc1 257285224 PGELNHZBOXCGOC-REWPJTCUSA-N 432.467 3.677 0 40 IHAB O=C(NCCC(=O)N1CCC[C@H]1c1cncc(Cc2cccc(Cl)c2)n1)c1cccnc1 257323867 WMDUJWDKEWNPAG-QFIPXVFZSA-N 449.942 3.599 0 40 IHAB CC(C)n1cnc([C@@H]2CN(Cc3ccsc3)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 306139318 SUOHZGZVYLOBHQ-URXFXBBRSA-N 435.597 3.939 0 40 IHAB O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl)NC1CCCCCC1 408585263 YGXFXVOTOKCCGU-UHFFFAOYSA-N 428.982 3.779 0 40 IHAB Cc1cccc(C)c1N1C[C@H](C(=O)OCC(=O)Nc2ccc(Br)cc2)CC1=O 408673165 ZDIMKFRAJBFZDB-OAHLLOKOSA-N 445.313 3.601 0 40 IHAB CCOCCCNC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 409119939 UTBVKZXAVHODSH-UHFFFAOYSA-N 432.586 3.857 0 40 IHAB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)Nc1ccc(Cl)cc1Cl 409137780 YSKUTVDSVRFRSY-LLVKDONJSA-N 425.243 3.667 0 40 IHAB COc1ccc(C)cc1N1C[C@H](C(=O)NCC2(c3ccccc3C)CCOCC2)CC1=O 500853908 XFASMZRMFROXDP-HXUWFJFHSA-N 436.552 3.530 0 40 IHAB COc1ccc([C@@H](C)NC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)c(C)c1OC 513402066 JVMYEFCSWNFDHU-GOSISDBHSA-N 441.576 3.827 0 40 IHAB C[C@H](CNC(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1)N1CCc2sccc2C1 606766346 GFKYENLOTMWZDC-CYBMUJFWSA-N 435.475 3.524 0 40 IHAB O=C1C(Cl)=C(Nc2ccccc2F)C(=O)N1c1ccc(I)cc1 719425 BMERDLHPGCDFDS-UHFFFAOYSA-N 442.615 3.866 0 40 IHAB Cc1ccc2[nH]c(=O)c(CN(CCCN3CCOCC3)C(=O)Nc3ccccc3)cc2c1 880316 RFFNQPLRRIZPDT-UHFFFAOYSA-N 434.540 3.593 0 40 IHAB CC[C@H]1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2[C@@H](C)CCC[C@H]2C)cc1 1368307 BAEJJFKZRPSGHJ-KSZLIROESA-N 428.620 3.591 0 40 IHAB COCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc(Cl)cc2)C1=O 2152797 MUISXJHOTMYOAH-NZQKXSOJSA-N 437.927 3.543 0 40 IHAB biogenic CCOC(=O)[C@H]1CCCN(Cn2nc(-c3cccs3)n(C[C@@H]3CCCO3)c2=S)C1 2640960 SQDOYQZUSZCQAH-HOTGVXAUSA-N 436.603 3.554 0 40 IHAB CSCC[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)OCC(=O)c1ccccc1 4704042 LEQVEKMKXOEAKE-GXYHREHHSA-N 429.582 3.867 0 40 IHAB C[C@H]1C[C@H](C)CN(C(=O)Cn2c(SCC(=O)N3CCCCC3)nc3ccccc32)C1 4859312 NGRVPLFFOWJBDO-ROUUACIJSA-N 428.602 3.645 0 40 IHAB CCOc1ccc2[nH]c(=O)c(CN(CCCO)C(=S)Nc3ccc(OC)cc3)cc2c1 6090227 IOLXBSIIGSMOJQ-UHFFFAOYSA-N 441.553 3.517 0 40 IHAB CCCS(=O)(=O)c1ncc(Cl)c(C(=O)N(Cc2ccccc2)Cc2ccco2)n1 8611989 BDLRNICUDARSBG-UHFFFAOYSA-N 433.917 3.749 0 40 IHAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2cc(C)n(Cc3ccco3)c2C)C1=O 8718320 MQSQRNDZRHYKIS-DEOSSOPVSA-N 437.471 3.925 0 40 IHAB C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCC(C(=O)c5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C 8918014 ATJMZTVSABUEJR-ZANUFEDKSA-N 437.580 3.866 0 40 IHAB biogenic COc1ccc2nc(NC(=O)CSc3nnc(-c4ccc5c(c4)OCO5)o3)sc2c1 9056898 JAGHANVBCVMARS-UHFFFAOYSA-N 442.478 3.814 0 40 IHAB COc1cc(C(=O)OCC(=O)c2cc(C)n(C)c2C)ccc1OCc1c(C)noc1C 9127909 YJESIPZSVIACAB-UHFFFAOYSA-N 426.469 3.874 0 40 IHAB Cc1ccc(NCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1S(=O)(=O)N(C)C 9130953 RMOVHTNHUCLIJG-UHFFFAOYSA-N 449.882 3.968 0 40 IHAB CN(Cc1c(F)cccc1Cl)C(=O)COC(=O)C(O)(c1ccccc1)c1ccccc1 9180863 GYODCSONNXFPAS-UHFFFAOYSA-N 441.886 3.917 0 40 IHAB O=C(NCCc1ccc(C(F)(F)F)cc1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 9337511 QFJLGNHAQLQXFG-IBGZPJMESA-N 440.487 3.608 0 40 IHAB O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)Nc1ccccc1SCc1ccccc1 9413717 XPKWZGOGLCKMBI-UHFFFAOYSA-N 437.521 3.651 0 40 IHAB Cc1cc(C(=O)CSc2nnc3ccccn23)c(C)n1C[C@H]1COc2ccccc2O1 9491479 ZYLYQTQUFJDDRW-KRWDZBQOSA-N 434.521 3.963 0 40 IHAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN1CCCc2ccccc21 9491757 WCCYSDJOIGXDHB-UHFFFAOYSA-N 439.556 3.712 0 40 IHAB CCN(CC)Cc1ccccc1CNC(=O)N1CCCN(Cc2ccc(OC)cc2)CC1 9513894 PEHXUSSWBGENLZ-UHFFFAOYSA-N 438.616 3.955 0 40 IHAB O=C(/C=C/c1ccccc1)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 9836317 AIARMEQDZGBCAD-MDZDMXLPSA-N 425.337 3.540 0 40 IHAB O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCCO2)Nc1ccccc1C(=O)NC1CC1 9872749 IEMVHFQDTSAWKM-NRFANRHFSA-N 435.524 3.516 0 40 IHAB Cc1ccc(C(=O)N2[C@@H](CC(=O)Nc3ccc(Cl)cc3)C(=O)N[C@H]3CCCC[C@@H]32)cc1 10035264 NECZLXZYJJPSMS-ACRUOGEOSA-N 439.943 3.929 0 40 IHAB Cc1ccccc1N1C(=O)N(CC(=O)N2CCCCCC2)c2ccccc2S1(=O)=O 10273729 BLYPEVWOHBJJPQ-UHFFFAOYSA-N 427.526 3.533 0 40 IHAB O=C(N[C@H](c1ccccc1)C1CC1)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 11215209 XUOAVKINJRYPFV-OAQYLSRUSA-N 434.508 3.633 0 40 IHAB CCOC(=O)c1c(C)oc2nc(COC(=O)CCSc3ccc(C)cc3)nc(N)c12 11228804 AIQYUNOKQSNAPF-UHFFFAOYSA-N 429.498 3.824 0 40 IHAB CCOC(=O)c1[nH]c(C)c(C(=O)COC(=O)c2c(C)nn(-c3ccccc3)c2Cl)c1C 11748000 LVTMBCKNKWYTPZ-UHFFFAOYSA-N 443.887 3.995 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)cc1C(=O)O 12583697 CRHGQFGCLJOOKC-UHFFFAOYSA-N 442.415 3.861 0 40 IHAB COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(Cc3nc4ccccc4o3)C2=O)cc1 12758220 YOKQSPYKBWBXSN-UHFFFAOYSA-N 443.459 3.841 0 40 IHAB Cc1cccc(NC(=O)CN(C)C(=O)c2nn(-c3ccccc3Cl)c(C)cc2=O)c1C 12767119 NKZCABBPHFCRQK-UHFFFAOYSA-N 438.915 3.522 0 40 IHAB O=C(OCCCn1c(=O)[nH]c2ccccc21)c1nccnc1-c1nc2ccccc2s1 12778944 HFBNFQOMVXXTQU-UHFFFAOYSA-N 431.477 3.643 0 40 IHAB COC(=O)c1sc(NC(=O)CSc2ncnc3sc4c(c23)CCCC4)nc1C 12833685 GRNHZUFSYKYJJG-UHFFFAOYSA-N 434.568 3.852 0 40 IHAB C[C@H](OC(=O)c1cc(C2CC2)nn1-c1ccccc1)C(=O)Nc1ccc2c(c1)OCCO2 12980291 YPRDDIOPXFXYKZ-HNNXBMFYSA-N 433.464 3.705 0 40 IHAB Cn1c(SCC(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)nnc1-c1ccco1 13018200 URIVDANOEGTXMN-UHFFFAOYSA-N 439.522 3.633 0 40 IHAB COc1ccc(CN(C)CN2C(=O)NC(Cc3ccccc3)(Cc3ccccc3)C2=O)cc1 13058799 REEJRIXDAPZNIF-UHFFFAOYSA-N 443.547 3.861 0 40 IHAB CCOC(=O)c1c(C2CC2)csc1NC(=O)CSc1nnc(C2CCCCC2)n1N 13134524 HQVIERRYIQIMDM-UHFFFAOYSA-N 449.602 3.886 0 40 IHAB CCC(C)(C)NC(=O)CN(C(=O)CCC(=O)Nc1nccs1)c1cccc(C)c1C 13151115 QOEIMZBXEMJCJO-UHFFFAOYSA-N 430.574 3.817 0 40 IHAB CCOc1ccc([C@H](C(=O)NC2CCCC2)N(CCOC)C(=O)Cc2cccs2)cc1 13497917 CWDYIALEJAGVQB-HSZRJFAPSA-N 444.597 3.964 0 40 IHAB Cn1c(CCCNC(=O)[C@@H]2CCCO2)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 13720523 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O=C(CCCSc1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 17052337 IOGABLBUJADEKB-UHFFFAOYSA-N 439.002 3.745 0 40 IHAB Cc1ccccc1Nc1nc(NCCN2CCOCC2)nc2c1cnn2-c1ccccc1 17136029 PAWHTXKNCRXMRB-UHFFFAOYSA-N 429.528 3.612 0 40 IHAB COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4OC)C(=O)[C@H]3ON2c2ccccc2)cc1 18152249 ARZHICNHPZMVIN-VABKMULXSA-N 430.460 3.755 0 40 IHAB Cc1ccc(C(=O)N2CCCC[C@@H]2c2nc(O)c3c(n2)CCN(C(=O)C2CCCC2)C3)cc1 19135437 VXYSTGJYWYTADC-JOCHJYFZSA-N 448.567 3.933 0 40 IHAB Cc1cccc2[nH]c(C(=O)N3CCCC[C@@H]3c3nc4c(c(=O)[nH]3)CN(C(C)C)CC4)cc12 19236671 GYEBSURTENLBON-JOCHJYFZSA-N 433.556 3.694 0 40 IHAB CC(C)N1CCC[C@H](CN(C)C(=O)c2cc(-c3ccncc3)c(N3CCOCC3)s2)C1 19447916 BZVOJAJBCXCJJB-LJQANCHMSA-N 442.629 3.839 0 40 IHAB COc1ccc(CN2CC[C@@](Cc3ccc(-c4cccnc4)cc3)(C(N)=O)C2)cc1OC 19560790 VJOMQDCNAKOQBV-SANMLTNESA-N 431.536 3.686 0 40 IHAB Cc1cc(C)cc(O[C@H](C)C(=O)N2CCC(c3cc(C(F)F)n4ncnc4n3)CC2)c1 19569675 AAARSKCIKJAEAU-OAHLLOKOSA-N 429.471 3.852 0 40 IHAB COc1ccccc1CC(=O)N1CCCC[C@@H]1c1nc(N(C)C)ncc1-c1ccncc1 19585242 OJRWXNOGTISRGX-OAQYLSRUSA-N 431.540 3.910 0 40 IHAB CCCOC(=O)c1ccc(NC(=O)c2nnn(-c3ccc(OC(F)F)cc3)c2C)cc1 19911028 GWOKUMSAKSLTFK-UHFFFAOYSA-N 430.411 3.996 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(SC)cc2)ccc1OC 20025094 GDLVVXIQCXMSTO-OAHLLOKOSA-N 436.599 3.939 0 40 IHAB CCOc1ccc2oc(=O)cc(CN(CCCN3CCOCC3)Cc3ccco3)c2c1 20058779 XBKCTVLIBUTFRO-UHFFFAOYSA-N 426.513 3.509 0 40 IHAB O=C(c1ccccc1)c1ccc(OC[C@H](O)CN2CCN(c3ccc(F)cc3)CC2)cc1 22608861 HUVKXFPWQGYNJA-XMMPIXPASA-N 434.511 3.619 0 40 IHAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CN1C(=O)NC3(CCCCC3)C1=O)CC2 23873178 BBEPPXJCKIKCGU-HSZRJFAPSA-N 449.551 3.864 0 40 IHAB COc1ccccc1C(=O)Nc1cccc(S(=O)(=O)N2CCc3sccc3C2)c1 25755637 UKDCQBQBXCHWEL-UHFFFAOYSA-N 428.535 3.756 0 40 IHAB CCOc1ccc(Oc2ccc(NC(=O)c3cnc4c(c3)c(=O)[nH]c(=O)n4CC)cc2)cc1 29817107 GMQTVPROIVEVPM-UHFFFAOYSA-N 446.463 3.548 0 40 IHAB CC(C)Oc1ccc(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 30940277 OKXVRNUAAYOIQP-LJQANCHMSA-N 438.933 3.683 0 40 IHAB COC(=O)c1cccc(S(=O)(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C(C)C)c1 32900071 UGEHAEXPBHGXDD-UHFFFAOYSA-N 449.916 3.776 0 40 IHAB COc1ccc(CCNC(=O)N2CCN(c3nc4c(F)cc(F)cc4s3)CC2)cc1 38548447 PQDCNFQDQYIKHE-UHFFFAOYSA-N 432.496 3.657 0 40 IHAB Cc1ccc(-n2ccnc2S(=O)(=O)CC(=O)Nc2ccc(OC(F)F)cc2)c(C)c1 40152136 NIENHRPQGPFHEJ-UHFFFAOYSA-N 435.452 3.503 0 40 IHAB CC[C@](C)(CNC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1)N1CCOCC1 48331649 MSCZPEXEYAZSBI-XMMPIXPASA-N 440.544 3.570 0 40 IHAB CC(=O)Nc1ccc2c(COC(=O)c3ccccc3NC(=O)c3ccco3)cc(=O)oc2c1 57722558 YBZTYMNWSJEIHQ-UHFFFAOYSA-N 446.415 3.954 0 40 IHAB CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(N2C(=O)CCC2=O)cc1 58703681 DKZRKMQPSXOIFE-UHFFFAOYSA-N 433.277 3.904 0 40 IHAB CCCCc1nc(C)c(C(=O)NC2CCN(C(=O)c3ccc(OC)cc3OC)CC2)s1 59011540 QDDSHNSVQQWXSZ-UHFFFAOYSA-N 445.585 3.846 0 40 IHAB COc1cccc([C@H]2[C@H](C(=O)Nc3nc4ccc(C)cc4s3)CC(=O)N2C)c1OC 61720275 AVLSVUZUYBJDPZ-KUHUBIRLSA-N 425.510 3.780 0 40 IHAB O=C(c1cc(=O)n(CC(=O)N2CCCc3ccccc32)c2ccccc12)N1CCCCC1 67318767 RICBHLACGJSRHX-UHFFFAOYSA-N 429.520 3.607 0 40 IHAB CCCOc1ccc(CNC(=O)c2ccc(Oc3nccnc3N3CCOCC3)cc2)cc1 67334577 XUYTZDYZBXIVRZ-UHFFFAOYSA-N 448.523 3.824 0 40 IHAB CC(=O)Nc1ccc(N2C(=O)C(O)=C(S(=O)(=O)c3ccccc3)[C@H]2c2ccccc2)cc1 71328662 PJCAVGHCIFOBBZ-OAQYLSRUSA-N 448.500 3.976 0 40 IHAB COc1cc2c(cc1OC)[C@@H]1c3ccccc3N(Cn3nnc4ccccc43)C(=O)N1CC2 72342073 QHIJDKLAOBCCLA-DEOSSOPVSA-N 441.491 3.994 0 40 IHAB Cc1ccc(-c2cc(C[C@]3(C(=O)N(C)C)CCCN(C(=O)c4cccnc4)C3)on2)cc1 72395994 XRDGATHTWXFJCI-RUZDIDTESA-N 432.524 3.598 0 40 IHAB CCn1ccnc1CN1CCN(C(=O)c2ccc(OC3CCCC3)c(OC)c2)C[C@@H]1C 78806568 UWOJLEBKPKSBKO-SFHVURJKSA-N 426.561 3.580 0 40 IHAB COc1ccc(/C=C2/SC(=O)N(CCNC(=O)COc3cccc(Cl)c3)C2=O)cc1 97675922 URKZVZJVZRCOOH-WOJGMQOQSA-N 446.912 3.580 0 40 IHAB Cc1ccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)C(=O)C(F)(F)F)cc1Cl 100395241 BTNBWUOESNLRPD-WQXBFISLSA-N 438.833 3.554 0 40 IHAB NC(=O)c1sc2ccccc2c1[C@H]1CC[C@H](CNC(=O)CN2CCCCCC2=O)CC1 100657926 LBTHBYOPZZJFQS-CALCHBBNSA-N 441.597 3.793 0 40 IHAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCc1ccc(-c2ccc(Br)cc2)o1 102622006 GTAIDFGUQCFWCY-IAGOWNOFSA-N 445.313 3.501 0 40 IHAB COc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@H]4CC[C@@H](C)C[C@H]4C3=O)cc2)cc1 102642527 OZENKDBZZCUWAR-GQWLDOHISA-N 435.476 3.661 0 40 IHAB O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]2[C@@H]2C=Cc3ccccc3N21 103533704 VXCLYNXHHVLCPH-SSUZURRFSA-N 448.522 3.997 0 40 IHAB CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2)=N[C@@H]1c1cccc(OC)c1 103828550 ZPFJJBUWDCVTLJ-OAQYLSRUSA-N 439.537 3.905 0 40 IHAB COc1ccc(OC[C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1 218801167 GCNAKPPCBDGXDL-OAHLLOKOSA-N 446.550 3.755 0 40 IHAB CCOc1ccc(N([C@H](CC)C(=O)N[C@@H](C)COc2ccc(C)cc2)S(C)(=O)=O)cc1 220680609 GYKQFXRNIWIAHI-PGRDOPGGSA-N 448.585 3.522 0 40 IHAB CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN1C(=O)c2cccc3cccc1c23 223083902 ZJXZQOYAOXPUSI-OAQYLSRUSA-N 429.520 3.662 0 40 IHAB Cc1cccc(N(CCCC(=O)NCCOc2ccccc2C(C)C)S(C)(=O)=O)c1 223796661 RABRKFUMKMYRAC-UHFFFAOYSA-N 432.586 3.860 0 40 IHAB COc1ccccc1OCCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2)c1 223938781 SYFMCQBBIVYYGX-UHFFFAOYSA-N 440.521 3.613 0 40 IHAB Cc1cc(N(CCCC(=O)NCC2=CCCCC2)S(C)(=O)=O)ccc1Br 224787281 SJFFPATTXAWUJS-UHFFFAOYSA-N 443.407 3.920 0 40 IHAB O=C(Nc1nnc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)s1)c1ccccc1 224845058 JWGRNUAGAOBDJB-UHFFFAOYSA-N 429.310 3.898 0 40 IHAB CCCOc1ccccc1CCCNS(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1 224997943 SSVHTOOVDROGLP-UHFFFAOYSA-N 425.934 3.827 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)N[C@@H](C)c1ccc(C)cc1 225692449 HFAIOYYSPPCIRF-IBGZPJMESA-N 444.597 3.988 0 40 IHAB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)Nc2ccccc2OC(C)C)s1 225752480 SDZXNJSFIOVPPZ-UHFFFAOYSA-N 432.527 3.687 0 40 IHAB C[C@@H]1Cc2cc(CN3CCC[C@H]([C@@H](NC(=O)[C@H]4CCCO4)c4ccccn4)C3)ccc2O1 253594335 YNDJUFYEHGEVFJ-ASPMUGLBSA-N 435.568 3.654 0 40 IHAB Cc1onc(C(C)C)c1C(=O)N1CCC(COc2ccc(Cl)cc2)(CC(N)=O)CC1 257252464 JUVLDVMUHFDLMJ-UHFFFAOYSA-N 433.936 3.937 0 40 IHAB COc1ccc(CN2C(=O)Cc3c(C)nc([C@H]4CCN(C(=O)C5CCCCC5)C4)nc32)cc1 257290804 QEJQEAYUZORPLC-FQEVSTJZSA-N 448.567 3.779 0 40 IHAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1)O2 260577682 JBMFRDKRLARHTO-IERDGZPVSA-N 430.570 3.697 0 40 IHAB C[C@H](NC(=O)[C@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 260949400 XAQDOHSIRSRVSL-GJZGRUSLSA-N 436.524 3.876 0 40 IHAB CCc1cc(Br)ccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 408644186 DYJYWFRRHXNCTQ-OAHLLOKOSA-N 445.313 3.546 0 40 IHAB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)cc(OC)c1 409360573 BAGOUBBTFUWUMX-VXLYETTFSA-N 426.494 3.996 0 40 IHAB Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)N1CCC[C@@H](c2ccnc(N)n2)C1 560695784 NSGICTYSHUJKCC-CQSZACIVSA-N 430.434 3.796 0 40 IHAB COc1ccc(-c2cccc(C(=O)N3CCC4(CC3)C[C@H](NC(C)=O)CCO4)c2C)cc1 585294056 JINKOUUMBCGMAR-OAQYLSRUSA-N 436.552 3.961 0 40 IHAB O=C(CCCN1CCN(c2ccccc2)CC1)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 1635838992 FQOFTWLAKXXHHS-UHFFFAOYSA-N 449.521 3.737 0 40 IHAB COC(=O)CSc1nnc(-c2ccccc2Br)n1-c1ccc(OC)cc1 916985 JLYUBNCMTFCNJG-UHFFFAOYSA-N 434.315 3.971 0 40 IHAB COc1ccc(/C=C2/N=C(c3cc(OC)c(OC)c(OC)c3)OC2=O)cc1Br 1735639 QCOGUXPPJVSGPB-RIYZIHGNSA-N 448.269 3.828 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)c1 2636140 CJHZAHXBFRCAFO-UHFFFAOYSA-N 435.527 3.510 0 40 IHAB COc1ccc(C(=O)N[C@@H](NC(=S)Nc2ccccc2O)C(Cl)(Cl)Cl)cc1 3039777 NBOKTFIRWLENAK-HNNXBMFYSA-N 448.759 3.814 0 40 IHAB COc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1S(=O)(=O)NC1CCCC1 3387766 CMPINBYOUJODLJ-HXUWFJFHSA-N 428.554 3.724 0 40 IHAB C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(Cl)cc1Cl 3552887 OJVOMSKWYOUFIY-CYBMUJFWSA-N 443.352 3.505 0 40 IHAB Cc1ccc2cc(CN(Cc3ccc(F)cc3)C(=S)NCCCN(C)C)c(=O)[nH]c2c1 6409649 FXBRSIQQHIDTJV-UHFFFAOYSA-N 440.588 3.804 0 40 IHAB CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)cc1 8816443 MKVOGCWFGHDEPW-GOSISDBHSA-N 449.617 3.617 0 40 IHAB COc1ccc(C)cc1-n1nnnc1SCc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1 8848425 GJGGBUQJKNKJBO-UHFFFAOYSA-N 448.430 3.527 0 40 IHAB O=C(O)C[C@]1(C(=O)NCc2ccccc2)CC(c2ccccc2OCc2ccccc2)=NO1 9059002 PBWIMMYVNJXURQ-SANMLTNESA-N 444.487 3.920 0 40 IHAB COc1ccc(CNC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)c(OC)c1OC 9062644 ZJIVBSXLUCMKNC-UHFFFAOYSA-N 432.948 3.894 0 40 IHAB CCn1c(CSc2ncnc3ccccc23)nc2cc(S(=O)(=O)N(C)C)ccc21 9126182 GGCIEHKQHLWBQH-UHFFFAOYSA-N 427.555 3.542 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)N1CCCCC1)Cc1ccccc1 9227537 PAASVBLWYGWNPO-UHFFFAOYSA-N 436.961 3.552 0 40 IHAB CC(=O)Nc1cccc(NC(=O)CSc2nnc3ccc(-c4ccc(C)cc4)nn23)c1 9240970 LZXPIVXFEXCKTH-UHFFFAOYSA-N 432.509 3.789 0 40 IHAB COc1ccc(C(=O)C[C@@]2(NC(C)=O)C(=O)N(Cc3ccccc3)c3ccccc32)cc1 9341118 KLIMSIJWWXVTSR-SANMLTNESA-N 428.488 3.846 0 40 IHAB CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 9397802 UDKOXHGDZKSKHJ-QGZVFWFLSA-N 442.459 3.841 0 40 IHAB O=C(CCCCCn1nnc2ccccc2c1=O)Nc1ccc(Br)cc1F 9450169 OSECVDBBURHIDD-UHFFFAOYSA-N 433.281 3.892 0 40 IHAB Cn1c(=O)n(Cc2cccc(Cl)c2)c(=O)c2c1nc1oc(-c3ccc(Cl)cc3)cn12 9789759 CJBPTIWMCYRVCY-UHFFFAOYSA-N 441.274 3.963 0 40 IHAB Cc1noc(C)c1COc1ccc(C(=O)N(C)Cc2ccccc2N2CCOCC2)cc1 10037216 PCAYVKSIXFSEHZ-UHFFFAOYSA-N 435.524 3.979 0 40 IHAB CNS(=O)(=O)c1cc(C(=O)NCc2ccc(-c3csc(C)n3)s2)cc(C)c1C 10105353 VYYJPSHTLIIMTL-UHFFFAOYSA-N 435.596 3.635 0 40 IHAB COc1ccccc1N1CCN(C(=O)c2cnc(Nc3nc4ccccc4o3)nc2C)CC1 10157607 ZGQNGZGGSLGEJE-UHFFFAOYSA-N 444.495 3.641 0 40 IHAB CCc1ccc(OCCSc2nc3ccccc3n2CC(=O)N2CCOCC2)cc1 11667478 UBHNJNZQDGZARI-UHFFFAOYSA-N 425.554 3.629 0 40 IHAB COCCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nc2c(c1=O)SCC2 12140302 DJPSDMZRPHDITM-UHFFFAOYSA-N 446.381 3.576 0 40 IHAB Cc1ccc(O[C@@H](C)C(=O)N2CCC(c3cc(C(F)(F)F)n4ncnc4n3)CC2)c(C)c1 12188559 RJEMJFQSUTVXSX-HNNXBMFYSA-N 447.461 3.933 0 40 IHAB O=C(N[C@@]1(C(F)(F)F)N=C(c2ccccc2)N(C2CCCCC2)C1=O)c1cccnc1 12376090 MDXULLQKIQULMN-NRFANRHFSA-N 430.430 3.692 0 40 IHAB CCCCCn1nc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)c2ccccc2c1=O 12679297 DKDWCPAPPZRIMR-UHFFFAOYSA-N 438.553 3.878 0 40 IHAB CC(C)(C)c1ccc(OC[C@H](O)CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3)C2=O)cc1 12845431 CVKNBUNBAAMPLW-JPYJTQIMSA-N 430.932 3.844 0 40 IHAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccccc1C(=O)c1cccs1 13057703 LQYYFQAJIZKNJQ-UHFFFAOYSA-N 447.516 3.504 0 40 IHAB CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 13109806 ZPNBYTYPRKSRBD-OAHLLOKOSA-N 430.936 3.918 0 40 IHAB Cc1cc(C)c2[nH]c(=O)c(CN(C[C@H]3COCCO3)C(=O)Nc3ccccc3F)cc2c1 13512882 AZZJRDLSBXQRON-IBGZPJMESA-N 439.487 3.734 0 40 IHAB COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(=O)NC2CCCCC2)c(OC)c1 13758841 BCONHDFCOSPNHQ-NQHRYMMQSA-N 430.589 3.821 0 40 IHAB CCc1cc(Br)cc(CC)c1NC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O 13856064 PCLVTRBPFFYJPV-FDCRZUCXSA-N 447.373 3.934 0 40 IHAB N=c1c2ccccc2nc2n1N(c1ccccc1)C(=O)[C@H](CC(=O)Nc1ccccc1)S2 14165326 HZTSHTGRWFXKLM-FQEVSTJZSA-N 441.516 3.815 0 40 IHAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)c1 14233768 RLBLPXFOERWHGV-QFIPXVFZSA-N 442.947 3.824 0 40 IHAB COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1OC 15011771 GKTTUQNTJATJOJ-UHFFFAOYSA-N 446.569 3.668 0 40 IHAB C[C@H]1CCCN([C@@H]2CC(=O)N(c3ccc(Br)cc3Br)C2=O)C1 15188610 AEMXPQFJWHRWNV-IINYFYTJSA-N 430.140 3.575 0 40 IHAB CC(=O)Nc1ccc(NC(=O)Cn2nc(-c3ccccc3)n(-n3cccc3)c2=S)cc1 16777826 VSYMLYOKQOQJQV-UHFFFAOYSA-N 432.509 3.791 0 40 IHAB Cc1nn(CC(C)C)c2sc(C(=O)O[C@@H](C)C(=O)N3CC(=O)Nc4ccccc43)cc12 17107773 CKGBMRLMBSZSQP-AWEZNQCLSA-N 440.525 3.593 0 40 IHAB CC(C)CNC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CCN(C(=O)c2ccccn2)C1 19447282 HLROGBIVJCIYLJ-HHHXNRCGSA-N 442.563 3.991 0 40 IHAB C[C@@H]1CCc2onc(C(=O)N3CCNC(=O)[C@H](Cc4ccc(-c5ccccc5)cc4)C3)c2C1 19497137 BNIXHNBXGGZADZ-XMSQKQJNSA-N 443.547 3.897 0 40 IHAB CCNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CCCN(C(=O)Cc2cccnc2)C1 19528550 AAJXUWNADQXNSZ-HHHXNRCGSA-N 442.563 3.674 0 40 IHAB COc1ccccc1CC(=O)N1CC[C@](Cc2ccccc2-c2cccs2)(C(N)=O)C1 19569445 DQYLLFLAEOWKQT-RUZDIDTESA-N 434.561 3.913 0 40 IHAB COc1cc(C)ccc1OCC(=O)N1CCC(c2cc(-c3cncnc3)cc(C)n2)CC1 19692112 YOAGYRHRMHGNAE-UHFFFAOYSA-N 432.524 3.949 0 40 IHAB CCCc1cc(C(=O)N2CCCC[C@H]2c2nc(C)c3c(n2)N(CC2CC2)C(=O)CC3)no1 19740820 KLTXXQANTYRRHB-FQEVSTJZSA-N 437.544 3.782 0 40 IHAB COc1ccc([C@@H](CC(=O)N2CCCCCC2)N(C)S(=O)(=O)c2ccccc2)cc1 19936141 RATSXENUGRYHCG-JOCHJYFZSA-N 430.570 3.850 0 40 IHAB CCN(CC(=O)N[C@@H](C)c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1 20014007 QBOVOAHBLFLLGB-HNNXBMFYSA-N 439.375 3.646 0 40 IHAB COc1cc2c(cc1OC)[C@H](C)N(CN1C(=O)C(=O)c3cc(Br)ccc31)CC2 20111788 VLOYVFSAKSQBMK-LBPRGKRZSA-N 445.313 3.572 0 40 IHAB biogenic O=C(CN1C(=O)[C@]2(SCC(=O)N2c2cccc(F)c2)c2ccccc21)Nc1ccccc1 20574009 YEHCILHLBJLGAX-XMMPIXPASA-N 447.491 3.744 0 40 IHAB CCOC(=O)Cc1csc(NC(=O)[C@@H](NC(=O)c2ccc(Cl)cc2)[C@H](C)CC)n1 22282555 RBYCCXYIVDCOIC-PXAZEXFGSA-N 437.949 3.685 0 40 IHAB COc1ccc(CN2CCN(C(=O)c3ccc(NC(=O)c4ccco4)s3)CC2)cc1 23696672 DXWOELJMQBCKKL-UHFFFAOYSA-N 425.510 3.560 0 40 IHAB COc1cccc(-c2noc(CN3C(=O)N[C@](C)(c4cccc5ccccc45)C3=O)n2)c1 23982620 GLHZTHRXUQUGMN-XMMPIXPASA-N 428.448 3.866 0 40 IHAB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2c(-c3ccccc3)nc3sccn23)c1 25739315 MUWIOILLWYOCEU-UHFFFAOYSA-N 426.523 3.565 0 40 IHAB Cc1sc2ncnc(N3CCC(C(=O)NC[C@@H](c4ccco4)N(C)C)CC3)c2c1C 29690946 MLOALIJVAFGSPS-KRWDZBQOSA-N 427.574 3.537 0 40 IHAB Brc1ccc(-c2nnc(CSc3nnnn3Cc3cccs3)o2)s1 29744768 ACHCZTZNNYSFOF-UHFFFAOYSA-N 441.361 3.949 0 40 IHAB COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(C)cc3)cc2)c1 30752579 RMZZIOQYKPLKIE-UHFFFAOYSA-N 440.521 3.994 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1C 30755550 UWEBTUZSZJXIRK-GOSISDBHSA-N 446.569 3.811 0 40 IHAB COc1ccc(Br)c(C(=O)N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1 32158044 WWYAOVAASXCISG-GFCCVEGCSA-N 426.332 3.694 0 40 IHAB CCCn1c(CN2CCSc3ccccc32)nc2cc(S(=O)(=O)N(C)C)ccc21 32538308 DXEWYQYRNAFFCL-UHFFFAOYSA-N 430.599 3.809 0 40 IHAB O=C(c1cc2ccccc2oc1=O)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 32882716 PLGYRRCGBBZETI-UHFFFAOYSA-N 437.455 3.872 0 40 IHAB COc1ccc(-c2nc(CC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)cs2)cc1OC 32986413 BTZFYFCMVLPEER-LJQANCHMSA-N 437.565 3.761 0 40 IHAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 33654291 STMZKHCGTDTQML-SECBINFHSA-N 437.732 3.961 0 40 IHAB CN(C)S(=O)(=O)N1CCC[C@@H](c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1 72349326 UAEVEQMCYFJBCB-MRXNPFEDSA-N 427.492 3.677 0 40 IHAB COc1ccc(C(C)=O)cc1C[S@@](=O)CC(=O)N(C)Cc1c(F)cccc1Cl 89292044 UTJXJOSDUYTGPW-NDEPHWFRSA-N 425.909 3.598 0 40 IHAB CCOc1ccccc1OCC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)CC[C@@H]1C(F)(F)F 95993584 GTFPMUOUHADAET-WMLDXEAASA-N 446.466 3.911 0 40 IHAB CCOc1ccc(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 101465486 RTZWVZUZAGYFIY-QUUXARLESA-N 432.520 3.666 0 40 IHAB COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccccc2)ccc1O 102712678 KGEQGIAXPBGPBH-BHDDXSALSA-N 434.423 3.591 0 40 IHAB COc1ccc(CNC(=O)COc2ccc(Br)cc2Cl)c(OC)c1OC 218944440 ONDRWPZUOWDMRP-UHFFFAOYSA-N 444.709 3.824 0 40 IHAB CC[C@@H](C(=O)N[C@@H]1CC(C)(C)Oc2cc(OC)ccc21)N(c1ccccc1)S(C)(=O)=O 219087087 RKYXOTIETXQXSI-UXHICEINSA-N 446.569 3.658 0 40 IHAB CC[C@H](C(=O)NCCCc1ccccc1OC)N(c1ccc(Cl)cc1)S(C)(=O)=O 219106565 FIRBBWOGZLMUBH-LJQANCHMSA-N 438.977 3.642 0 40 IHAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(OC)cc1 222582075 XNMADZCQYWMZFB-XMMPIXPASA-N 434.511 3.763 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CCCN(c2ccc(CC)cc2)S(C)(=O)=O)c(C)c1 222647954 JNRVKNJXHNYXMZ-UHFFFAOYSA-N 446.569 3.919 0 40 IHAB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 223001576 FAUFAESUFIFZSM-IAGOWNOFSA-N 430.570 3.606 0 40 IHAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccccc1OC 223240773 FMTWXNWYWIBLPP-QGZVFWFLSA-N 439.339 3.934 0 40 IHAB COc1ccc(OC)c([C@H](C)NC(=O)c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)c1 223287424 QTGFTOOKNVEFTO-KRWDZBQOSA-N 446.569 3.615 0 40 IHAB CCc1ccc(N(CC(=O)NCCOc2ccccc2)S(=O)(=O)c2ccccc2)cc1 223767961 DSNVEZYSOSVHPD-UHFFFAOYSA-N 438.549 3.640 0 40 IHAB COc1cccc(-c2noc(CN(C)S(=O)(=O)c3ccc4c(c3)CCC(C)(C)O4)n2)c1 223776550 VJDZGIBETZTKCH-UHFFFAOYSA-N 443.525 3.670 0 40 IHAB COc1cccc(OC)c1CNC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 224080383 PHIGLARSZQDLKU-UHFFFAOYSA-N 444.484 3.574 0 40 IHAB CCCCc1ccc(N(CCCC(=O)NCCOCc2ccccc2)S(C)(=O)=O)cc1 224883176 SOEURWBWZQRLAM-UHFFFAOYSA-N 446.613 3.908 0 40 IHAB CC[C@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CCc1ccc2c(c1)OCO2 224970550 HQSOEPNMMQHQKB-JOCHJYFZSA-N 438.568 3.970 0 40 IHAB Cc1cc(C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)ccc1N(C)S(C)(=O)=O 225174519 IXFXHZSWHNASBL-UHFFFAOYSA-N 433.555 3.600 0 40 IHAB CC[C@H](NC(=O)CCc1cc(S(=O)(=O)N2CCCC2)ccc1OC)c1ccccc1C 225419596 NPIAOVUZPUHOLO-QFIPXVFZSA-N 444.597 3.988 0 40 IHAB COc1ccc2c(c1)C=C(C(=O)N1CCC[C@@H](c3cccc(Nc4cnccn4)n3)C1)CO2 257199712 AAOVLUOOZKEKMZ-QGZVFWFLSA-N 443.507 3.806 0 40 IHAB C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3ccccc3Cl)C(=O)[C@@H]12 408651231 NLHIPRXFIUQSSW-FPDPHYFHSA-N 436.895 3.777 0 40 IHAB Cc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3cccc(Cl)c3C)n2C)c1 409051962 FLCNSZGSYSXHHQ-UHFFFAOYSA-N 443.960 3.746 0 40 IHAB CCn1c(SCC(=O)NCc2ccccc2)nnc1[C@@H](C)NC(=O)c1ccc(C)cc1 409130535 HYYJUIYPRDFTLB-QGZVFWFLSA-N 437.569 3.506 0 40 IHAB Cc1cc(Cl)ccc1N(CC(=O)Nc1ccc(Br)cc1F)S(C)(=O)=O 409322614 KYWLDZICPQJMQG-UHFFFAOYSA-N 449.729 3.955 0 40 IHAB Cc1ccccc1-n1ncc(C(=O)NCCc2c[nH]c3cccc(Br)c23)c1N 583235452 DXIVFDGINXTYPK-UHFFFAOYSA-N 438.329 3.979 0 40 IHAB COCC(=O)N1CCCN(C(C)C)CCN(C(=O)C2[C@@H]3CCCC[C@@H]23)Cc2ccccc21 643555246 WZGOGLOYEXIXFT-FGZHOGPDSA-N 441.616 3.545 0 40 IHAB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)Cc1nc(-c2ccccc2)oc1C 644436298 WLGLFEZXUBUAAX-UHFFFAOYSA-N 434.496 3.638 0 40 IHAB O=C([C@H]1CC(c2ccccn2)=NO1)N1CCCC[C@H]1Cc1cccc(Br)c1 1130113056 FGCCMNIRCJKZFV-FXAWDEMLSA-N 428.330 3.961 0 40 IHAB Cc1nccn1[C@H]1C[C@H]2CN(Cc3ccc(F)cc3F)C[C@H]2C[C@@H]1Oc1cnccn1 2332242531 KPVMOJCFIZMXGL-UDKICSLYSA-N 425.483 3.790 0 40 IHAB COC(=O)CCC(=O)c1ccc2c(c1)CC1(C2)Cc2ccc(C(=O)CCC(=O)OC)cc2C1 1855642 GVTTXKYYMOVXNU-UHFFFAOYSA-N 448.515 3.842 0 40 IHAB COc1ccc(-c2cc(=O)oc3cc(OCC(=O)NCCCCCC(=O)O)ccc23)cc1 2117460 VOPHQRJNZXHSTM-UHFFFAOYSA-N 439.464 3.609 0 40 IHAB biogenic CCN(CC)C1=N[C@@](C(=O)OC)(C(F)(F)F)N=C(c2ccc(Cl)cc2Cl)O1 2349416 XWFHKRLVJYFUTE-HNNXBMFYSA-N 426.222 3.900 0 40 IHAB Cc1ccccc1-n1nc(C)c2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)sc21 2411569 BTHJNAWGIRAKBS-UHFFFAOYSA-N 434.521 3.895 0 40 IHAB COC[C@H](C)n1c(SCC(=O)c2[nH]c(C)c(C(C)=O)c2C)nc2ccccc2c1=O 2644705 HEQNTBGJFLLUCZ-LBPRGKRZSA-N 427.526 3.726 0 40 IHAB CCOC(=O)[C@@H](C)Oc1cccc2c(=O)n(CC(=O)Nc3c(C)cc(C)cc3C)ccc12 2712282 WDHWKGTULRPIEO-GOSISDBHSA-N 436.508 3.896 0 40 IHAB Cc1cccc(N2CCN(C(=O)c3ccc(Cn4cc(Br)cn4)o3)CC2)c1C 2762369 OXQMCAGYCJJWOZ-UHFFFAOYSA-N 443.345 3.866 0 40 IHAB COc1ccc(NC(=O)c2ccc(NCC(=O)Nc3ccc(NC(C)=O)cc3)cc2)cc1 3405948 KDXHAXYNZGTVGE-UHFFFAOYSA-N 432.480 3.957 0 40 IHAB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)NC[C@@H]1CCCO1 3412967 JBEZRQFSXJSXJN-INIZCTEOSA-N 432.933 3.627 0 40 IHAB Cc1c2c(=O)n(-c3nc4ccccc4s3)[nH]c2cc(=O)n1CCCNC1CCCCC1 3770739 SQFBXIFYINARGH-UHFFFAOYSA-N 437.569 3.711 0 40 IHAB CCc1ccccc1-n1c(-c2ccc(Cl)cc2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 9090179 VJMRKVQHLSPZMJ-UHFFFAOYSA-N 433.899 3.558 0 40 IHAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COc1ccc(-c2ccccc2)cc1 9223035 IRYVYSBOIBPQFO-UHFFFAOYSA-N 440.521 3.630 0 40 IHAB CCn1c(CC(=O)Nc2cccc(OC)c2)nnc1SCC(=O)c1ccc(F)cc1 9263701 GPIJATKHWFAJMO-UHFFFAOYSA-N 428.489 3.602 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(NS(=O)(=O)c2ccccc2Cl)ccc1Cl 9495351 GFTGDSFPWRTFAM-UHFFFAOYSA-N 437.370 3.825 0 40 IHAB Cc1ccc(NC(=O)CN(c2ccnn2C(C)C)S(=O)(=O)c2ccccc2)cc1C 9582505 CXDOOPCIGACXED-UHFFFAOYSA-N 426.542 3.915 0 40 IHAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3C(F)(F)F)c2)C[C@H](C)O1 9585147 BKCXNDKPVSOVNB-KBPBESRZSA-N 442.459 3.756 0 40 IHAB C[C@@H](Sc1nnc(NCc2ccc(F)cc2)s1)C(=O)NCc1ccc2c(c1)OCO2 9666812 AKNWLNDCKSARIR-GFCCVEGCSA-N 446.529 3.815 0 40 IHAB Cc1cc(-n2c(C)cc(/C=C/C(=O)N(C)Cc3ccccc3N3CCOCC3)c2C)no1 10036791 USTOZJCOAHHSNP-MDZDMXLPSA-N 434.540 3.899 0 40 IHAB O=C(CNS(=O)(=O)c1ccccc1)O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 10041625 HZDDSKWRSXGZHB-JOCHJYFZSA-N 443.908 3.786 0 40 IHAB CCOc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2OC32CCN(C(C)=O)CC2)cc1 10214372 KXGXRYILAGWINU-JOCHJYFZSA-N 435.524 3.976 0 40 IHAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)Cn2nc3c(cc2=O)CCCC3)cc1 10277440 NMJNFXDYSLHTDC-DEOSSOPVSA-N 442.519 3.509 0 40 IHAB C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCC(C(=O)Nc2ccccc2O)CC1 10292882 TUUOARPHCFZPMZ-CQSZACIVSA-N 447.329 3.799 0 40 IHAB Cc1ccc(NC(=O)CS[C@H](C)C(=O)OCc2cc(=O)oc3cc(O)ccc23)cc1 10571969 YJOSXSZYQJKVIW-CQSZACIVSA-N 427.478 3.611 0 40 IHAB COC(=O)C(=O)Nc1nc(-c2ccc3c(c2)CCCN3C(=O)c2ccccc2F)cs1 12326668 VIUIYKIEJQUFBC-UHFFFAOYSA-N 439.468 3.654 0 40 IHAB CCn1c(CN2CCn3cccc3[C@H]2C)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 12506399 DGFBBBUZGCNAST-GOSISDBHSA-N 441.601 3.609 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2c(-c3ccccc3)nc3ccc(C)cn23)cc1 12520764 AHJXLVVVKZDLMN-UHFFFAOYSA-N 448.548 3.877 0 40 IHAB Cn1nc(C2CCCCC2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)CC(C)(C)CC(=O)O 12602024 DAXVJJNLYBODFU-ZCNNSNEGSA-N 444.620 3.653 0 40 IHAB biogenic,in-vitro Cc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Br)s2)cc1F 12764349 FRKDEGFTIOVUFC-CYBMUJFWSA-N 447.351 3.750 0 40 IHAB Cc1nc(SCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)n(C2CCCC2)c1C 12783826 NQJYWTBTWSXANY-IBGZPJMESA-N 439.647 3.665 0 40 IHAB O=C(NCCc1ccc2c(c1)OCCO2)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 12923498 FRAJGPCEIQTQSO-QHCPKHFHSA-N 429.472 3.885 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(Cc3nc(-c4ccccc4Cl)no3)CC2)c(C)c1 12981449 VRCVUFIZIHTHNJ-UHFFFAOYSA-N 446.960 3.513 0 40 IHAB COc1ccccc1CCNC(=O)CSc1nnc([C@H](C)Oc2ccc(F)cc2)o1 12982474 OWFQHMMBCLBNDY-AWEZNQCLSA-N 431.489 3.808 0 40 IHAB Cc1cc(OCC(=O)NC2CCN(Cc3ccccc3)CC2)c2c3c(c(=O)oc2c1)CCC3 13556985 ODOSSGAVRIZKRR-UHFFFAOYSA-N 446.547 3.750 0 40 IHAB CN(CCCNC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O)c1ccccc1 17826974 UIHYISWLOQGMHH-UHFFFAOYSA-N 432.549 3.768 0 40 IHAB Cc1cc2nc(C[C@H](NC(=O)c3sc(C)nc3C)c3ccc(F)cc3)cc(O)n2n1 19129876 HDMDRBGLMBBVKL-KRWDZBQOSA-N 425.489 3.670 0 40 IHAB Cc1ccnn1CCC(=O)N1CCC[C@@](Cc2cccc(-c3cccs3)c2)(C(N)=O)C1 19238425 PEGRJAWLNRYFEE-DEOSSOPVSA-N 436.581 3.647 0 40 IHAB O=C(c1cc2c(s1)CCCC2)N1CCO[C@H](c2nc(Cc3ccccc3F)no2)C1 19349716 QKDZNFNNEPBVDV-KRWDZBQOSA-N 427.501 3.954 0 40 IHAB O=C(c1ccc2ccccc2c1)[C@@H]([C@H](c1ccccc1)N1CCOCC1)N1CCOCC1 19366040 CQVAZCMDGXTNBW-IZZNHLLZSA-N 430.548 3.797 0 40 IHAB CCN1CCN(C(=O)CCn2nccc2C)C[C@H](Cc2cccc(-c3ccccc3)c2)C1=O 19527487 UMARWKJUSUNPBO-VWLOTQADSA-N 444.579 3.798 0 40 IHAB COc1ccc(-c2cc3nc([C@@H](C)NC(=O)[C@H](C)Oc4ccccc4F)nn3cn2)cc1 19575502 STBMGFNDQDNHES-CABCVRRESA-N 435.459 3.584 0 40 IHAB COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CCCN2C(=O)c2n[nH]c3c2CCCC3)c1 19689451 XTRTWGSTERJINI-NRFANRHFSA-N 446.555 3.797 0 40 IHAB COc1ccc(-c2cc(C)nc([C@H]3CCCN3S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)cc1 19690690 BYYXRRUYAUCPII-IEGUWTFLSA-N 445.585 3.557 0 40 IHAB Cn1cc2c(n1)[C@H](C(=O)NCCc1c[nH]c3ccc(F)cc13)CN(CCc1ccccc1)C2 19701268 LHQSENHJJMFPDB-HSZRJFAPSA-N 445.542 3.541 0 40 IHAB Cc1ccccc1CN1C(=O)CCCC[C@H]2N(C(=O)Cc3nc(C(C)C)n[nH]3)CC[C@]21C 19713428 SSHFRMWOBMBDSD-CJFMBICVSA-N 437.588 3.741 0 40 IHAB C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 20107304 LBRSNUTUAAMVRR-DENIHFKCSA-N 426.582 3.639 0 40 IHAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1 20112648 WRPRMFZQFVQGTI-MRXNPFEDSA-N 426.513 3.975 0 40 IHAB CN1CCN(CN2C(=O)S/C(=C/c3cn(Cc4ccccc4)c4ccccc34)C2=O)CC1 20265983 LVEUDWXGGIOQNZ-HZHRSRAPSA-N 446.576 3.931 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CCC(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)cc1 20733802 KQFYBWVVVARNLK-UHFFFAOYSA-N 437.471 3.787 0 40 IHAB NS(=O)(=O)c1ccc(CNC(=O)CCn2c(-c3ccccc3)cc3ccccc32)cc1 20738688 DSUCVMOOVWRYHH-UHFFFAOYSA-N 433.533 3.662 0 40 IHAB O=C(NCc1ccco1)Nc1ccc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)cc1 21209563 LFGPRRQXJYKYDX-UHFFFAOYSA-N 436.468 3.685 0 40 IHAB O=C(NCc1ccccc1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 22020854 GRTIQZBUTYLJAM-GOSISDBHSA-N 431.467 3.747 0 40 IHAB O=C(N[C@H](CN1CCOCC1)c1ccccc1)c1ccc(-n2cnc3ccccc32)cc1 22202968 IBVAORZXMUGZBM-XMMPIXPASA-N 426.520 3.829 0 40 IHAB COc1ccc(NC(=O)Nc2ccc(Cl)c(N3CCCS3(=O)=O)c2)cc1OC 22506420 OBCMYSHYWTZVAA-UHFFFAOYSA-N 425.894 3.541 0 40 IHAB CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)C1 23246938 ACMDDYQGTZVQGX-GUYCJALGSA-N 429.344 3.550 0 40 IHAB CC(C)(C)c1cc(NC(=O)c2ccccc2Br)n([C@@H]2CCS(=O)(=O)C2)n1 24969522 LHDKSRTVLMDKMY-GFCCVEGCSA-N 440.363 3.555 0 40 IHAB COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(SC)c(C(=O)N3CCCC3)c2)c1 26114904 ONYVBHXPJQHLIO-UHFFFAOYSA-N 448.566 3.540 0 40 IHAB COc1ccc(Cc2nc(CC(=O)Nc3nnc(CC(C)C)s3)cs2)cc1OC 28539421 KKMMSOKJLWWIOR-UHFFFAOYSA-N 432.571 3.982 0 40 IHAB Cc1cc2c(=O)n(-c3ccccc3)c(=O)n(CC(=O)Nc3ccc(Cl)cc3)c2s1 32072119 VARFLCHKHAZYPU-UHFFFAOYSA-N 425.897 3.814 0 40 IHAB COc1ccc(NC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)o2)cc1OC 32699756 PDWNRWUXMZPEMO-UHFFFAOYSA-N 431.470 3.502 0 40 IHAB Cc1noc(C)c1S(=O)(=O)N1CCC(Cn2c(C(F)(F)F)nc3ccccc32)CC1 36708847 WWNWVSITAAZNAX-UHFFFAOYSA-N 442.463 3.761 0 40 IHAB Cc1cccc(CN2CCC(C(=O)Nc3ccccc3C(=O)NC[C@H]3CCCO3)CC2)c1 39761383 QALDTJSCAYDJRZ-JOCHJYFZSA-N 435.568 3.755 0 40 IHAB Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4cccc(Cl)c4)[nH]c(=O)c32)c(F)c1 40399426 QHAOZRATCJAMHZ-ZDUSSCGKSA-N 441.850 3.679 0 40 IHAB O=C1C[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c2ccc(F)cc2N1 48289044 UNQPRPXAKGGBTJ-OAHLLOKOSA-N 437.393 3.746 0 40 IHAB O=C(Cc1csc(Nc2ccc(Cl)cn2)n1)Nc1ccc(N2CCOCC2)cc1 49460562 CASNXIUBPMJWQL-UHFFFAOYSA-N 429.933 3.953 0 40 IHAB COc1ccc(NC(=O)Cn2cccc(-c3nc(-c4ccc(C)cc4)no3)c2=O)cc1OC 57511215 NDHNRDKHEJNVGR-UHFFFAOYSA-N 446.463 3.530 0 40 IHAB CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(C)c(NS(C)(=O)=O)c1 58700552 ASMFANDRFACBHI-UHFFFAOYSA-N 443.338 3.930 0 40 IHAB COc1ccc(/N=c2\oc3c(OC)cccc3cc2C(=O)NC[C@H]2CCCO2)cc1F 67294187 UYDMKTDHMUOFCC-UYNDQYDWSA-N 426.444 3.730 0 40 IHAB O=C(Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1)[C@@H]1CC(=O)N(Cc2ccco2)C1 69055328 XIWGDCTZSSOIRY-LBMSDSGBSA-N 426.542 3.586 0 40 IHAB Cc1c(C(=O)N2CCC3(CC2)C[C@]2(CO3)NC(=O)c3ccccc3N2)[nH]c2ccc(F)cc12 72325367 DNTIBKYALRWYML-RUZDIDTESA-N 448.498 3.562 0 40 IHAB CCCn1cc(S(=O)(=O)N2CCC[C@@H]2c2cccc(Nc3nccs3)n2)c(C)n1 72375825 YTKAHSONHMPJJW-MRXNPFEDSA-N 432.575 3.722 0 40 IHAB CCCCOc1ccc(C(=O)N2CCC(c3nn(C)c(=O)n3-c3ccccc3)CC2)cc1 77135674 MSHBFPQHRRVAJJ-UHFFFAOYSA-N 434.540 3.770 0 40 IHAB COc1ccc(-n2c(SCc3cc(=O)n4ccsc4n3)nnc2-c2ccncc2)cc1 89455488 NRRQKRWLHBGACU-UHFFFAOYSA-N 448.533 3.700 0 40 IHAB CCCn1cc(CN2CCCN(C(=O)Nc3ccc(Br)cc3F)CC2)cn1 89960716 WSLPBVJRFPUXNW-UHFFFAOYSA-N 438.345 3.935 0 40 IHAB CCOC(=O)C[C@H](C)CNC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 89983635 PMNOSDACLXBVMK-ZFWWWQNUSA-N 429.344 3.551 0 40 IHAB COCc1c(C(=O)N(C)C[C@@H](O)CN2CCc3ccccc3CC2)sc2ccccc12 95446575 APAHJCWSUUHXTH-HXUWFJFHSA-N 438.593 3.581 0 40 IHAB C[C@@H]1CN([C@H](CNC(=O)C2=NO[C@H](c3ccccc3)C2)c2c(F)cccc2Cl)CCO1 105727703 BTDBEUWKXACCRQ-LPTQZCDUSA-N 445.922 3.875 0 40 IHAB COCc1c([N+](=O)[O-])c(/C=C/c2ccc(-c3ccc(C(=O)O)cc3C)o2)[nH]c(=O)c1C#N 108919785 YPNXKURXEACFAJ-QPJJXVBHSA-N 435.392 3.738 0 40 IHAB Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(CS(=O)(=O)N3CCCC3)cc1)CC(C)(C)O2 219967032 WEXNVTHYTYORJI-NRFANRHFSA-N 442.581 3.953 0 40 IHAB CCc1ccc(N([C@H](C)C(=O)NCCSCc2ccccc2F)S(C)(=O)=O)cc1 220283915 AVPNGPQCJKLURX-MRXNPFEDSA-N 438.590 3.592 0 40 IHAB CCOC(=O)c1cccc(NC(=O)[C@@H](CC)N(c2cc(C)ccc2C)S(C)(=O)=O)c1C 220550109 ZEATXGWKZSBMNV-HXUWFJFHSA-N 446.569 3.972 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4sncc4c3)CC2)cc1 222575445 KHQZTHCUASXBKT-UHFFFAOYSA-N 445.566 3.734 0 40 IHAB CC[C@@H](C(=O)n1cc(C(=O)OC)c2ccccc21)N(c1cc(C)cc(C)c1)S(C)(=O)=O 222633906 LVELILWODTZSEI-FQEVSTJZSA-N 442.537 3.930 0 40 IHAB CC[C@@H](NC(=O)CN(c1ccc(F)cc1F)S(C)(=O)=O)c1ccc2c(c1)CCCC2 223113540 QWNHRMNBYCHGIL-HXUWFJFHSA-N 436.524 3.877 0 40 IHAB CCCc1ccc(OCCNC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1 224010738 KCHQONBRJAWRGW-INIZCTEOSA-N 438.977 3.642 0 40 IHAB Cc1nc(N2CCN(C(=O)c3csc(-c4ccccc4)n3)CC2)cc(C(F)(F)F)n1 225732166 LFOOTOVLKYZEBW-UHFFFAOYSA-N 433.459 3.890 0 40 IHAB COc1ccc(CNC(=O)[C@H](C)Oc2nn(-c3ccccc3)cc2Br)cc1 227161518 QHSYJVOIKRKRQN-AWEZNQCLSA-N 430.302 3.727 0 40 IHAB CCn1cnc2cc(NC(=O)C[C@@H]3CCCN(C(=O)c4cn5cc(C)ccc5n4)C3)ccc21 257310125 UDUAIKHZYOHXGV-SFHVURJKSA-N 444.539 3.893 0 40 IHAB CC(C)n1cnc([C@@H]2CN(Cc3ccsc3)C[C@@]23CCN(Cc2cccnc2)C3=O)c1 306140797 VEJQGDQBXYEMSN-URXFXBBRSA-N 435.597 3.939 0 40 IHAB O=S(=O)(c1ccc2c(c1)CCO2)N(CCn1ccc(-c2ccncc2)n1)C1CCCC1 390827317 WYVIHLJMIYEECX-UHFFFAOYSA-N 438.553 3.514 0 40 IHAB COc1ccc(Cl)cc1NC(=O)CCCC(=O)OCC(=O)Nc1ccc(C(C)=O)cc1 408647053 RHGDQJAURVDGMJ-UHFFFAOYSA-N 446.887 3.842 0 40 IHAB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)cc1C 408648034 WSEBIPVQQIZRPT-UHFFFAOYSA-N 444.336 3.956 0 40 IHAB CCOC(=O)c1ccc(NC(=O)c2cccc(N3C(=O)[C@H]4CC=C(C)C[C@H]4C3=O)c2)cc1 408685701 RAXSXCGJXRLFBB-LEWJYISDSA-N 432.476 3.961 0 40 IHAB O=C1CN(C(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)c2ccccc2N1 408703902 VMVNRFWVYJVZPK-UHFFFAOYSA-N 447.944 3.504 0 40 IHAB Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(Cc3cnc4c(cnn4C(C)C)c3)C2)cc1 507616412 KOGDGLZFLDBDQW-LJQANCHMSA-N 441.601 3.511 0 40 IHAB Cc1nc(-c2cc3c(s2)CCN(C(=O)[C@@H]2CC(=O)N(Cc4ccco4)C2)C3)cs1 540131951 DCLMVOBAWXZWJH-OAHLLOKOSA-N 427.551 3.706 0 40 IHAB COCCOc1cc(CN2CCC[C@@](O)(COc3ccc(C)cc3)CC2)ccc1OC 585270178 HOGNUKYWOCMVJA-VWLOTQADSA-N 429.557 3.825 0 40 IHAB Cc1cccc2c1n(-c1ccc(Br)cc1)c(=O)n2CC(=O)NCC(F)(F)F 2382215935 XTIMAMSYRYAVJS-UHFFFAOYSA-N 442.235 3.542 0 40 IHAB C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2F)cc1)c1ccccc1 665243 KGSMLEWQYOCSEE-MRXNPFEDSA-N 428.485 3.883 0 40 IHAB CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2C2CC2)cc1 1441720 SCFNNXPFZQUSCI-FQEVSTJZSA-N 439.537 3.587 0 40 IHAB CC(C)N1C(=O)c2ccc(C(=O)OCC(=O)Nc3cc(Cl)ccc3Cl)cc2C1=O 1787486 IYUBIQNJWGRRFL-UHFFFAOYSA-N 435.263 3.793 0 40 IHAB COc1ccc([C@H]2C[C@H](c3ccc(Br)cc3)Nc3nc(N)nn32)cc1OC 2365984 YJCLNMFONCIAIZ-HUUCEWRRSA-N 430.306 3.786 0 40 IHAB COc1ccc(C)cc1-n1c(SCC(=O)Nc2cc(C)on2)nc2ccccc2c1=O 2618427 HLFXZBRFOCBJNR-UHFFFAOYSA-N 436.493 3.730 0 40 IHAB CC(C)(C)c1cc(NC(=O)CSc2nnnn2-c2ccccc2)n(-c2ccccc2)n1 2661892 KZFPHKZQVCYHEZ-UHFFFAOYSA-N 433.541 3.876 0 40 IHAB CCOc1ccc(C(C)=O)cc1COC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 3511442 SQHZZEQWAAEGBO-UHFFFAOYSA-N 445.537 3.820 0 40 IHAB COC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)c1 3559251 SIHYFGULYXIICY-UHFFFAOYSA-N 436.917 3.554 0 40 IHAB COc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)C2CCCCC2)CC1 4056349 DEQICXGZEHFHGJ-HSZRJFAPSA-N 449.595 3.652 0 40 IHAB COc1ccc(-c2noc(CN(C(=O)COc3ccc(C)cc3)C(C)C)n2)cc1OC 4943630 ZQVCTNVJLXVZNZ-UHFFFAOYSA-N 425.485 3.878 0 40 IHAB COc1ccc(CCNC(=O)[C@H]2CCCN(c3nc4ccccc4s3)C2)cc1OC 4967870 BENPXDBVPPILHU-KRWDZBQOSA-N 425.554 3.889 0 40 IHAB COc1ccc2cc(CN(CCCN(C)C)C(=S)Nc3ccc(C)cc3)c(=O)[nH]c2c1 6245250 KOVFQEABIBELTH-UHFFFAOYSA-N 438.597 3.996 0 40 IHAB Cc1cccc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)N3CCC[C@H](C)C3)c(=O)[nH]c12 6444093 HXMYIZGYVFKGPW-QMHKHESXSA-N 446.530 3.832 0 40 IHAB O=C(Nc1ccccc1C(F)(F)F)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 8587401 VYXUPCTZJXSBLS-UHFFFAOYSA-N 426.460 3.886 0 40 IHAB COC(=O)c1sccc1S(=O)(=O)N(CC(=O)Nc1ccccc1F)c1ccccc1 8605151 XFRWPZILBBFHJP-UHFFFAOYSA-N 448.497 3.508 0 40 IHAB Cc1cn2c(=O)cc(COC(=O)c3ccc(NC(=O)c4ccc(F)cc4)cc3)nc2s1 8607121 QTUNLZOIGYCPDG-UHFFFAOYSA-N 437.452 3.813 0 40 IHAB Cc1cn2c(=O)cc(COC(=O)c3ccc(NC(=O)c4ccccc4C)cc3)nc2s1 8607126 INGIAWRICDCUED-UHFFFAOYSA-N 433.489 3.982 0 40 IHAB CC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(C)cc2)cc1 8613983 FUEFWRFPHNCFOI-UHFFFAOYSA-N 449.532 3.957 0 40 IHAB O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1F)N[C@@H]1CCCc2ccccc21 8896830 GDDIPLMKQRVEIP-OAQYLSRUSA-N 442.512 3.803 0 40 IHAB COc1ccc(-c2noc(CNC(=O)COc3ccc(Br)c(C)c3)n2)cc1 9031561 UWLSPGUAMHYALN-UHFFFAOYSA-N 432.274 3.511 0 40 IHAB CN1C(=O)C(C)(C)COc2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc21 9169903 AEKFQWQCXKBAAJ-UHFFFAOYSA-N 439.331 3.631 0 40 IHAB COc1cc(OC)c(NC(=O)Cc2c(C)c3ccc(OC)c(OC)c3oc2=O)cc1Cl 9216259 PDCRXCCGXAKVNT-UHFFFAOYSA-N 447.871 3.970 0 40 IHAB Cc1occc1-c1nnc(SCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)n1C 9256706 KAEOLEQBUKJUAT-QGZVFWFLSA-N 440.525 3.611 0 40 IHAB COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1Cl 9288348 ZZRHXTGFFKQTOI-ZDUSSCGKSA-N 426.897 3.527 0 40 IHAB CCn1c(COc2ccc(C)cc2C)nnc1S[C@@H](C)C(=O)Nc1nnc(C)s1 9304060 TVJSQEFMFNDBAW-ZDUSSCGKSA-N 432.575 3.773 0 40 IHAB CN(c1ccc(OS(=O)(=O)c2cccc(Cl)c2)cc1)S(=O)(=O)c1ccccc1 9506999 JFQZMEQXXQGJOU-UHFFFAOYSA-N 437.926 3.933 0 40 IHAB O=C(CSc1ccc2nnc(-c3cccnc3)n2n1)Nc1cccc(C(F)(F)F)c1 9599823 FFRKVQMLHMKBRH-UHFFFAOYSA-N 430.415 3.936 0 40 IHAB COc1ccccc1C(=O)Nc1nc(-c2nnn(-c3cc(F)ccc3F)c2C)ns1 9638960 DPAWQSSSGHJKTF-UHFFFAOYSA-N 428.424 3.633 0 40 IHAB CCCCCOc1cccc(C(=O)Nc2nnc(-c3ccc(S(C)(=O)=O)cc3)o2)c1 9707670 UJIRSHYHAZMRCN-UHFFFAOYSA-N 429.498 3.961 0 40 IHAB COC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2-n2cccc2)cc1 9707903 HGTUBKYZVHPMRD-UHFFFAOYSA-N 447.520 3.884 0 40 IHAB Cc1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)n1C1CC1 9711764 HIDWMIZQACGFHL-UHFFFAOYSA-N 441.479 3.508 0 40 IHAB CC(=O)N1CCC(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)c2c[nH]c3ccccc23)CC1 9711944 VAZBSAHLIFYAOR-QHCPKHFHSA-N 432.568 3.741 0 40 IHAB O=C1COc2ccc(C(=O)CSc3nnc(-c4ccccc4)n3Cc3ccco3)cc2N1 9714135 WQQOCEULCQBFCF-UHFFFAOYSA-N 446.488 3.892 0 40 IHAB CC(=O)N[C@H](CC(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1)c1ccccc1 9816658 VSHHDJANVNSJHE-LJQANCHMSA-N 434.521 3.901 0 40 IHAB O=C([C@H](Sc1ccc(S(=O)(=O)N2CCCCC2)cn1)c1ccccc1)N1CCCC1 10037748 OWQWOPKIQIRBIQ-OAQYLSRUSA-N 445.610 3.712 0 40 IHAB COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 10303046 JQZXBBKLWUUOKU-UHFFFAOYSA-N 444.887 3.666 0 40 IHAB COc1ccc2nc(-c3ccc(OC)c(NS(=O)(=O)c4cc(C)cc(C)c4)c3)cn2n1 11693563 QMHWLIDFLFARMQ-UHFFFAOYSA-N 438.509 3.831 0 40 IHAB Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N3CCc4nc5ccccc5c(=O)n4CC3)c2)n1 12184077 HEHTVMCURVWKHN-UHFFFAOYSA-N 447.926 3.551 0 40 IHAB Cc1cccnc1[C@H](Cc1ccsc1)NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C 12229714 DMTBRMFJDVETAO-INIZCTEOSA-N 445.591 3.627 0 40 IHAB NC(=O)c1ccc(NC(=O)Cc2csc(SCC(=O)c3ccc(F)cc3)n2)cc1 12444198 JDYYMXXHHGLUNG-UHFFFAOYSA-N 429.498 3.537 0 40 IHAB CCn1c2ccccc2c2cc(NC(=O)[C@H](C)NS(=O)(=O)c3c(C)noc3C)ccc21 12527280 VZVNSFQVZHEROX-AWEZNQCLSA-N 440.525 3.725 0 40 IHAB COc1ccc(NC(=O)c2ccc3[nH]cnc3c2)cc1NS(=O)(=O)c1ccc(F)cc1 12548046 FKVHDYPOFRHDKN-UHFFFAOYSA-N 440.456 3.764 0 40 IHAB CC(=O)c1cccc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 12565392 ZIFQITYVOVDDPL-UHFFFAOYSA-N 434.561 3.985 0 40 IHAB Cc1ccc(-c2csc3ncn(Cc4cccc(S(=O)(=O)N(C)C)c4)c(=O)c23)s1 12579176 UVYWCQALSQKLLK-UHFFFAOYSA-N 445.591 3.794 0 40 IHAB Cc1ccc(Cn2nc(C)c3cc(C(=O)NC[C@@H](C(C)C)N4CCOCC4)sc32)cc1 12736335 FPZGGJVSZJJZFL-NRFANRHFSA-N 440.613 3.850 0 40 IHAB Cc1ccc(-c2noc(CN3CCN(C(=O)COc4ccc(Cl)c(C)c4)CC3)n2)cc1 12760291 LLMICZNEFKCOCO-UHFFFAOYSA-N 440.931 3.730 0 40 IHAB CCc1nnc(NC(=O)CCN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)s1 12857129 HNBYISJGWVRJMK-UHFFFAOYSA-N 444.582 3.941 0 40 IHAB Cc1ccc(CN(C(=O)c2csnn2)[C@@H](C(=O)NC2CCCC2)c2cccnc2)cc1 12872403 ZZVGVGFRTLELLD-OAQYLSRUSA-N 435.553 3.684 0 40 IHAB CCCC[C@@H](CC)CNC(=O)CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O 12898267 HWQGTKVQVVSWPY-UTKZUKDTSA-N 426.561 3.744 0 40 IHAB biogenic Cc1ccc2nc(CN3C(=O)N[C@@](C)(CCc4ccc(OC(F)F)cc4)C3=O)cn2c1 13059629 GOPORWXTSQOXRL-QFIPXVFZSA-N 428.439 3.687 0 40 IHAB O=C(N[C@H]1CCSc2c(F)cccc21)C1CCN(S(=O)(=O)c2ccccc2)CC1 14185337 ARUBICBLUUHRDI-IBGZPJMESA-N 434.558 3.580 0 40 IHAB COc1cc(OC)cc([C@@H](NC(=O)COc2cccc3ccccc23)c2nccn2C)c1 15520124 WNYAYVUPNKQWFC-XMMPIXPASA-N 431.492 3.875 0 40 IHAB Cc1ccccc1Nc1nc(N)nc(CSCC(=O)N[C@@H]2CCCc3ccccc32)n1 16046881 RUEGGWOHIXHIPL-LJQANCHMSA-N 434.569 3.933 0 40 IHAB Cc1ccc(OCc2nc(CC(=O)OCc3cc(=O)n4c(C)csc4n3)cs2)cc1 16167433 BCHVMLNFLGYTEW-UHFFFAOYSA-N 441.534 3.694 0 40 IHAB O=C(COc1ccc(F)cc1)Nc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCC2 17191186 PEALTHMYKLEDHJ-UHFFFAOYSA-N 440.496 3.985 0 40 IHAB COc1ccc(-c2nnc([C@H](C)OC(=O)c3ccccc3SCC(=O)N(C)C)o2)cc1 19354239 NGZCIWMFMHAFJZ-AWEZNQCLSA-N 441.509 3.844 0 40 IHAB CCOc1ccc2nc(NC(=O)CN3CCC(n4cnc5cccnc54)CC3)sc2c1 19519980 JNWHCHUWGORYLY-UHFFFAOYSA-N 436.541 3.715 0 40 IHAB Cc1ccc(C(=O)NC(=S)N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c(C)c1 19637908 OCCCGAJPODRWAK-UHFFFAOYSA-N 443.441 3.836 0 40 IHAB CN(C)c1ncc(-c2cccc(Cl)c2)c([C@H]2CCCN2C(=O)c2ccc(=O)n(C)c2)n1 19690094 ZGCRABJKNBGECF-LJQANCHMSA-N 437.931 3.539 0 40 IHAB Cc1ncc(C(=O)N2CCO[C@H](c3c(C(=O)NC(C)C)sc4ccccc34)C2)c(C)n1 19697903 CWWKMIGYISYRAK-SFHVURJKSA-N 438.553 3.660 0 40 IHAB Cn1cc2c(n1)[C@@H](C(=O)NCCc1ccc(F)cc1)CN(Cc1cccc3cccnc13)C2 19701241 SVHSEEHVCOTWEK-QHCPKHFHSA-N 443.526 3.566 0 40 IHAB CC(=O)N[C@H]1C[C@@H](c2ccc(NC(=O)c3cccc(-n4cnnc4)c3)cc2)O[C@@H](C(C)C)C1 19711780 ZYGWIKIJXZMFCM-JRFVFWCSSA-N 447.539 3.900 0 40 IHAB CCN1CCC(CC(=O)Nc2cnn(CC(=O)Nc3cccc(C(F)(F)F)c3)c2)CC1 19746273 ZVHLOQFYOFYOAG-UHFFFAOYSA-N 437.466 3.601 0 40 IHAB O=C(Nc1ccccc1Br)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 19857145 JOYLIOCGRWILCJ-MRXNPFEDSA-N 437.359 3.630 0 40 IHAB NS(=O)(=O)c1ccc(Br)c(C(=O)OCc2ccc(Cl)cc2Cl)c1 21464719 CMTOKMXIUIXFML-UHFFFAOYSA-N 439.114 3.760 0 40 IHAB Cc1nc(S[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)n(C[C@@H]2CCCO2)c1C 21568800 HUVRAAMBJVQZGS-RXVVDRJESA-N 444.601 3.635 0 40 IHAB CCOc1cc2c(cc1CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1)O[C@@H](C)C2 24317672 LDSIEGNOAQVYSO-UWJYYQICSA-N 448.519 3.659 0 40 IHAB Cc1cccc(CSCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)c1 24606784 WPPAPSIXHDXEKJ-SFHVURJKSA-N 438.640 3.507 0 40 IHAB C[C@H]1CCCC[C@H]1NC(=O)CNc1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1F 26796723 OWHGDFRCDFHYND-KBXCAEBGSA-N 427.476 3.914 0 40 IHAB Cc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)NCc4ccco4)cc3)sc2c1 28818397 TYKPBOKZDIPGHW-UHFFFAOYSA-N 427.507 3.929 0 40 IHAB CCOc1ccc([C@@H](C)NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)cc1OCC 30758205 DTMZXSIVZMZDPN-CYBMUJFWSA-N 440.949 4.000 0 40 IHAB Cc1cc(S[C@H](C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)nc(C(C)C)n1 30969235 BDCDYAMUFGOVJV-OAHLLOKOSA-N 436.603 3.586 0 40 IHAB O=C(NCCN1CCc2ccccc2C1)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1 31338969 XFGAAYKMSNYRQN-XMMPIXPASA-N 441.575 3.867 0 40 IHAB CCc1c(C)sc2c1c1nc(-c3cccnc3)nn1c(=O)n2CC(=O)c1ccccc1 32092080 IIWNEJREJIPOMJ-UHFFFAOYSA-N 429.505 3.921 0 40 IHAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)CC(=O)Nc1ccccc1Oc1ccccc1 32542037 YZQPONPBMDXBDB-QGZVFWFLSA-N 439.537 3.758 0 40 IHAB Cc1ccc(-n2cc(C(=O)N3CCC(NC(=O)c4ccccc4Cl)CC3)nn2)cc1C 49406377 BNSASSYCZPURDU-UHFFFAOYSA-N 437.931 3.572 0 40 IHAB CCc1cccc(NC(=O)CN2CN(c3ccc(F)cc3)c3ncccc3S2(=O)=O)c1 49411575 MDKHIEYDPBXOHH-UHFFFAOYSA-N 440.500 3.522 0 40 IHAB CCOC(=O)c1sc2nc(CN(C)CCOc3ccc(Cl)cc3)nc(N)c2c1C 57373589 IYLIOSSNVWEQTF-UHFFFAOYSA-N 434.949 3.923 0 40 IHAB CN(C(=O)Cn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2sccc21)c1ccccc1 57491849 ANXGAHDEQUZROY-UHFFFAOYSA-N 425.897 3.530 0 40 IHAB O=C(c1nccc2ccccc12)N1CCC(c2ccnc3nc(C(F)(F)F)nn23)CC1 72334985 ZMWSZUMEKSCMMH-UHFFFAOYSA-N 426.402 3.711 0 40 IHAB Cc1cc(C)nc(Nc2cncc([C@@H]3CCCN3S(=O)(=O)c3ccc(C)c(F)c3)n2)n1 72376330 OSYOZIWEYAIJDT-IBGZPJMESA-N 442.520 3.600 0 40 IHAB CNc1cc([C@H]2CC(=O)N(Cc3ccccc3)C2)nc(CN(C)Cc2cccc(C)c2)n1 72391871 ZVHDWIVPFVYVPX-QFIPXVFZSA-N 429.568 3.975 0 40 IHAB Cc1cc(C)cc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)C(=O)c2ccccc2)c1 100396771 RFLOBBOLLYLZCN-NLCRGRMESA-N 426.516 3.961 0 40 IHAB CCCCN1C(=O)[C@H]2[C@@H]3C=Cc4ccccc4N3[C@H](C(=O)Nc3ccc(Cl)cc3)[C@@H]2C1=O 101450439 WZBOSIJWIIQYLD-KJJMTIBFSA-N 449.938 3.964 0 40 IHAB CCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)ccc12 101900623 LCYUXNWXIFFGKV-ZACQAIPSSA-N 429.513 3.828 0 40 IHAB CC[C@H](C(=O)NCCCc1ccc(F)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 219091922 CXJZXIPXJWFFII-LJQANCHMSA-N 426.941 3.773 0 40 IHAB CCCOc1ccccc1CCCNC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 222590203 DUMLLMAVIAFPCX-UHFFFAOYSA-N 430.570 3.768 0 40 IHAB Cc1cccc(CNC(=O)COc2ccc(S(=O)(=O)N[C@H](C)c3ccccc3)cc2)c1 222642767 SGEAUCRZKCDJPC-LJQANCHMSA-N 438.549 3.730 0 40 IHAB CC[C@@H](C(=O)Nc1nnc(-c2ccccc2)s1)N(c1ccccc1F)S(C)(=O)=O 223865062 OIPGKKXHVLQWTA-HNNXBMFYSA-N 434.518 3.528 0 40 IHAB COC(=O)c1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(OC)cc3)c2)cc1 224038068 DWKIHHOJYUGQLF-UHFFFAOYSA-N 440.477 3.535 0 40 IHAB Cc1ccc(OCCNC(=O)c2ccc(C)c(N(C)S(=O)(=O)c3ccccc3)c2)cc1 224300672 ASCPUCGABVCRGU-UHFFFAOYSA-N 438.549 3.937 0 40 IHAB COC(=O)c1cc(S(=O)(=O)NCc2cccc(CN3CCCCC3)c2)ccc1Cl 224697982 RPKVRBKOIVKGCE-UHFFFAOYSA-N 436.961 3.591 0 40 IHAB CCCOc1ccc(N(CC(=O)N[C@@H](CC)c2ccc(OC)c(C)c2)S(C)(=O)=O)cc1 224744888 JPERLPFFEQHNOI-NRFANRHFSA-N 448.585 3.826 0 40 IHAB CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(Cc3noc(C(C)C)n3)cc2)cc1 225965127 SHWKINKELZEEGT-UHFFFAOYSA-N 442.541 3.822 0 40 IHAB CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]2[C@@H]2c3ccccc3C=NN12 248262447 MVBFBZGUDXDXJB-ZRNYENFQSA-N 435.911 3.834 0 40 IHAB CCOc1cccc2c1OC(C)(C)[C@H]1CC3(CCN(C(=O)c4cn(C)cn4)CC3)CO[C@H]21 257310976 UHKLAOKYOJCPNX-GHTZIAJQSA-N 439.556 3.990 0 40 IHAB CCC[C@H](C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 408582200 BVLMWWYVLBJWIL-INIZCTEOSA-N 438.977 3.844 0 40 IHAB C[C@@H]1CC[C@@H]2C(=O)N(c3cccc(C(=O)OCC(=O)Nc4ccc(F)cc4)c3)C(=O)[C@H]2C1 408653836 AUNBUEHEWYKOPA-UAOJZALGSA-N 438.455 3.547 0 40 IHAB CC1=C(C(N)=O)[C@H](c2ccccc2)NC(SCC(=O)Nc2cccc(Cl)c2C)=N1 408991948 RRXKZXBRDFNTOH-IBGZPJMESA-N 428.945 3.780 0 40 IHAB Cc1[nH]c(C(=O)N[C@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)c(C)c1C(=O)OC(C)C 513505805 KZWFQODPVQJHMG-LPHOPBHVSA-N 443.519 3.818 0 40 IHAB CS(=O)(=O)N1CCC(c2nc(-c3ccc(NC(=O)Nc4ccccc4)cc3)no2)CC1 546330624 HCIONEPURIHWIM-UHFFFAOYSA-N 441.513 3.520 0 40 IHAB COc1cc(CCC(=O)N2CCN(C)C(=O)[C@H]2Cc2ccc(-c3ccc(C)cc3)cc2)on1 585168991 DBAHNXNTBCTMPO-HSZRJFAPSA-N 447.535 3.503 0 40 IHAB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc3[nH]c(-c4ccc(F)cc4)nc3c2)c1 613885465 HWPPTSGJJVUTQJ-UHFFFAOYSA-N 438.484 3.872 0 40 IHAB COc1cc(CNC(=O)[C@H]2CCCCN2Cc2ccncc2)cc(Br)c1OC 1116024295 PTZOMUSOHNSJDI-GOSISDBHSA-N 448.361 3.532 0 40 IHAB CCOc1ccc(NC(=O)CSc2nnc(CSc3nc(C)cc(C)n3)n2C)cc1 882987 FLVASBGRHKGQHJ-UHFFFAOYSA-N 444.586 3.644 0 40 IHAB O=C(/C=C1\SC(=O)N(CC(=O)Nc2ccc(F)cc2)C1=O)Nc1ccc(Cl)cc1 1298520 OCFAIVYRUUUZMC-DHDCSXOGSA-N 433.848 3.636 0 40 IHAB O=C(CSc1nnc2n(C3CCCC3)c(=O)c3ccccc3n12)N1CCc2ccccc21 1331590 RSQQFPUYUYVZCI-UHFFFAOYSA-N 445.548 3.841 0 40 IHAB COc1cccc(C(=O)N2CCN(c3ncnc4c(-c5ccccc5)nsc34)CC2)c1 1370655 BHSHZJKEBOAOGY-UHFFFAOYSA-N 431.521 3.724 0 40 IHAB O=C(CSc1nnc(Nc2ccccc2)s1)Nc1ccc(N2CCOCC2)cc1 2627529 OMLQRKNYIRFRHR-UHFFFAOYSA-N 427.555 3.849 0 40 IHAB C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)NCc2ccc(Cl)cc2Cl)C1=O 3270137 WTMUBYSKQURACI-NRFANRHFSA-N 434.323 3.553 0 40 IHAB C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)NCCCc2ccccc2)C1=O 3331143 HXTUXKUPEOUBPQ-OAQYLSRUSA-N 434.323 3.509 0 40 IHAB CCOc1ccc(-n2c(SCC(N)=O)nnc2-c2ccc(Br)cc2)cc1 3346071 SNXSPHWTTRYIBP-UHFFFAOYSA-N 433.331 3.673 0 40 IHAB CCn1c(S[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccccc1OC 3401279 RYVZTONXVQZGFL-CYBMUJFWSA-N 426.498 3.822 0 40 IHAB O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1F)NCc1cccs1 3579983 RQUPUVAZPSFGRH-UHFFFAOYSA-N 425.510 3.995 0 40 IHAB CC1=C(C(=O)O[C@H]2CCC[C@H]2C)[C@@H](c2cc3c(cc2Br)OCO3)NC(=O)N1 4066616 PXOBGQLVURFQNO-IJPZITHUSA-N 437.290 3.538 0 40 IHAB CC(C)(C)NC(=O)[C@H](c1ccco1)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21 6075050 FYIJWWNSWWVSHO-QHCPKHFHSA-N 445.523 3.709 0 40 IHAB Cc1cc(OCC(=O)N(Cc2sccc2C)[C@H]2CCS(=O)(=O)C2)ccc1Cl 8614290 MLKSVAQKRKMBOB-HNNXBMFYSA-N 427.975 3.613 0 40 IHAB C[C@@H](NC(=O)c1ccc(NC(=O)CSc2nncn2C)cc1)c1cc2ccccc2o1 8708344 ACIICPQWCANECL-CQSZACIVSA-N 435.509 3.783 0 40 IHAB O=C(CSc1nncn1-c1ccccc1F)N1CCC[C@H]1c1ccc2c(c1)OCCO2 9205653 UBKLEJDFBPEIDQ-KRWDZBQOSA-N 440.500 3.633 0 40 IHAB COC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N([C@H](C)C(=O)OC)C3=O)o2)c(C)c1 9322991 ZWIXPOLRCAWGTG-YXHQGMJNSA-N 429.450 3.639 0 40 IHAB COc1ccc(OCC(=O)Nc2ccc3c(c2)nc(CCn2nc(C)cc2C)n3C)cc1 9410489 BKJYTLBTIIVTIN-UHFFFAOYSA-N 433.512 3.655 0 40 IHAB 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CCc1ccc(OCC(=O)N(Cc2cccc(OC)c2)[C@H](C)C(=O)N[C@@H](C)CC)cc1 225371326 FQYICFVHNSTVSK-RBUKOAKNSA-N 426.557 3.968 0 40 IHAB CCOc1ccc(CCC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC)cc1OCC 225436049 AHGBTTHGFQVBAT-KRWDZBQOSA-N 430.520 3.719 0 40 IHAB CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)COc1cc(C)ccc1C 225463071 RTSPPNNBVDVVHA-MRXNPFEDSA-N 433.346 3.608 0 40 IHAB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)s1 225552503 YTGVANWZKKDQKH-UHFFFAOYSA-N 442.444 3.918 0 40 IHAB NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccc(Br)c2)cc1 225793612 VERSABCXWGMKND-UHFFFAOYSA-N 446.248 3.968 0 40 IHAB COc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(C)ccc3C)C2)cc1 225920996 AUPQYEFIDVZDOR-AZUAARDMSA-N 430.570 3.590 0 40 IHAB CCCN1CCN(C(=O)c2c[nH]cn2)C[C@@H](Cc2ccc(-c3cccc(C)c3)cc2)C1=O 257301399 RYHNBDCJDDPQSM-HSZRJFAPSA-N 430.552 3.938 0 40 IHAB C[C@H](NC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)c1ccccc1 408535834 XCQRTMWGTFWOGQ-SFHVURJKSA-N 436.533 3.694 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3c(F)cccc3F)C2)cc1C 408558629 JWARETSJEYDLLE-HNNXBMFYSA-N 438.496 3.711 0 40 IHAB CCc1cccc(C)c1NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2OC)CC1 408713742 RMTKXAQZUGNHKP-UHFFFAOYSA-N 434.533 3.745 0 40 IHAB COc1ccc(OC)c(C(=O)CCC(=O)Nc2ccc(I)cc2)c1 408822457 BZUZKOAEKUMIGR-UHFFFAOYSA-N 439.249 3.910 0 40 IHAB CCC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1Cl 409393391 WDYUVOCUCLSSPW-HNNXBMFYSA-N 436.961 3.775 0 40 IHAB CC1CCN(c2ccc(C(=O)N3CCCC[C@@H]3C(=O)Nc3ccc4c(c3)CCO4)cn2)CC1 524892130 FVRZBRVHEVJUOA-JOCHJYFZSA-N 448.567 3.886 0 40 IHAB Cc1ccc(Br)c(S(=O)(=O)N2CCCC[C@H]2c2n[nH]c(C(C)C)n2)c1 565508104 FJJFHHCWIOIRBK-AWEZNQCLSA-N 427.368 3.915 0 40 IHAB COc1ccc(-c2cc(CNS(=O)(=O)c3ccc(OC(F)(F)F)cc3)ncn2)cc1 585360512 RGYBLAWBWUIAFP-UHFFFAOYSA-N 439.415 3.529 0 40 IHAB NC(=O)c1cn(CC(=O)N2CCC[C@@H]2c2cccc(Br)c2)c2ccccc12 617136516 DYICYVDCQJFWNL-GOSISDBHSA-N 426.314 3.866 0 40 IHAB Cc1cc(C(=O)N2CCCCCN(C)C(=O)c3ccccc3O[C@H]3CCCC[C@H]32)nn1C 643582940 TZDYQUPNEQQYAI-GGAORHGYSA-N 438.572 3.817 0 40 IHAB CCOC(=O)Cn1nnc2c(sc3nc4c(c(-c5ccc(Cl)cc5)c32)CCC4)c1=O 642975 HBGDJOFPUDYMLA-UHFFFAOYSA-N 440.912 3.773 0 40 IHAB aggregator CCC(CC)COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc2c(cc1Br)OCO2 828455 YCEFGZULGZDMMQ-QGZVFWFLSA-N 439.306 3.785 0 40 IHAB COc1cccc(NC(=O)c2sc3nc(N4CCOCC4)c4c(c3c2N)CCCC4)c1 2210592 MWYJFPRRYUIXFE-UHFFFAOYSA-N 438.553 3.855 0 40 IHAB CCn1cc(CN(C)C(=O)[C@H](C)n2nc(C(F)(F)F)c(Br)c2C)c(C)n1 2778541 IQXMMQIAXFVWDI-NSHDSACASA-N 436.276 3.717 0 40 IHAB COc1ccc(CNC(=O)[C@H]2CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)cc1OC 9050110 IYXYMQUZWPMRIT-FQEVSTJZSA-N 449.551 3.673 0 40 IHAB Cc1ccc(NC(=O)CNc2cc(F)cc(F)c2)cc1S(=O)(=O)N1CCCCCC1 9336824 XNOIMSCMAVIGOG-UHFFFAOYSA-N 437.512 3.889 0 40 IHAB CCCOc1ccccc1C(=O)Nc1nnc(S(=O)(=O)Cc2ccccc2C)s1 9340521 XSXFWCKTBUXEIX-UHFFFAOYSA-N 431.539 3.862 0 40 IHAB COc1cccc(N2C(SCc3c(F)cccc3Cl)=N[C@H]3CS(=O)(=O)C[C@@H]32)c1 9341357 VOROGHWVVWMFEX-ROUUACIJSA-N 440.949 3.763 0 40 IHAB Cc1cc(OCC(=O)N2CCN(c3ccccc3)CC2)c2c3c(c(=O)oc2c1)CCCC3 9433804 NZTGKMRPHBMBKQ-UHFFFAOYSA-N 432.520 3.708 0 40 IHAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)Nc1ccc(Cl)cc1C(F)(F)F 9631207 BGNWBCAFYMODNO-INIZCTEOSA-N 446.809 3.888 0 40 IHAB COc1cccc(NC(=O)CN(C)C(=O)c2c(C)nn(Cc3ccc(C)cc3)c2Cl)c1 9822238 JNZKXSARRWFMJS-UHFFFAOYSA-N 440.931 3.921 0 40 IHAB CCOC(=O)c1cccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c1 10440873 VWRXACYWLNLXFV-UHFFFAOYSA-N 438.505 3.697 0 40 IHAB COc1ccc(S(=O)(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1C(=O)N1CCCC1 10544177 JCDFJKJLQLIPRG-LJQANCHMSA-N 444.553 3.512 0 40 IHAB CC(=O)c1ccc(S(=O)(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)cc1 10625956 MIOMSIZTPINXEN-UHFFFAOYSA-N 431.901 3.946 0 40 IHAB O=C(CN1C(=O)c2ccccc2C1=O)NCc1ccc(-c2ccc(Br)cc2)o1 11168112 YSXXCMHHKHBZRL-UHFFFAOYSA-N 439.265 3.622 0 40 IHAB COc1ccc([C@H]2CCCN2C(=O)c2nn(-c3ccccc3F)c(C)cc2=O)c(OC)c1 11337117 ICRWPTBFJTYFAU-LJQANCHMSA-N 437.471 3.675 0 40 IHAB COc1ccc(-c2csc3ncn(C[C@@H](O)COc4ccc(F)cc4)c(=O)c23)cc1 12771081 JUIHGOMJWAEVBI-MRXNPFEDSA-N 426.469 3.713 0 40 IHAB CC(=O)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3[C@@H](C)CCC[C@H]3C)cc2)cc1 12787755 ZRSLRBZNJSPRKV-CALCHBBNSA-N 444.553 3.858 0 40 IHAB C[C@@H](Sc1nnc([C@@H]2COc3ccccc3O2)n1C)C(=O)N1c2ccccc2C[C@H]1C 12982591 LRCCTNVDOZQGFJ-SXGZJXTBSA-N 436.537 3.786 0 40 IHAB CC(=O)N/C(=C\c1ccccc1)C(=O)O[C@H](C)C(=O)Nc1nc(-c2ccccc2)cs1 13068318 JWHWLEDZXWALHO-JPVKTXQWSA-N 435.505 3.858 0 40 IHAB Cc1cc(S(=O)(=O)Nc2cc(Cl)ccc2-n2cncn2)ccc1Br 13112314 ALCXWDYPGRVZNT-UHFFFAOYSA-N 427.711 3.792 0 40 IHAB CCOc1ccc(NC(=O)C[C@@H]2SC(CC(=O)Nc3ccc(C)cc3)=NC2=O)cc1 13146123 WQRFDDOXVORDCN-SFHVURJKSA-N 425.510 3.792 0 40 IHAB CC(C)C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)NC1CCCC1 13556537 UINNDYXPCUPFCV-YYDVJCTNSA-N 443.613 3.625 0 40 IHAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)C1 13648199 CAJUGKHOCZYFGS-KDURUIRLSA-N 429.586 3.585 0 40 IHAB CC[C@H](C(=O)Nc1ccccc1C(=O)NC(C)C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13686519 ATQDXMGASMXBGG-OAQYLSRUSA-N 445.585 3.625 0 40 IHAB CCC(C)(C)c1nnc(NC(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccc(F)cc34)C2)s1 13944965 ZMPXJRNAFBZGSP-CQSZACIVSA-N 443.548 3.876 0 40 IHAB CCOc1ccc(NC(=O)NC(=O)CSc2nnc(-c3ccoc3C)o2)cc1OCC 14160142 TVRDMCHAEZFFQD-UHFFFAOYSA-N 446.485 3.876 0 40 IHAB CN(C)c1nc(Cl)c(/C=N/NC(=O)COc2ccc(OCc3ccccc3)cc2)s1 15517365 HQMMYUWLQXLNFV-FSJBWODESA-N 444.944 3.971 0 40 IHAB Cn1ccnc1[C@H](NC(=O)C[C@H](NC(N)=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 16262137 JLEVCUGRYKXOCB-PKOBYXMFSA-N 446.338 3.732 0 40 IHAB CCCCn1nc(C)c2c(C(=O)N3CCN(Cc4ccccn4)CC3)cc(C3CC3)nc21 17098088 PQWCTECGLPXFBU-UHFFFAOYSA-N 432.572 3.770 0 40 IHAB CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C)CC3)c(Cl)c2)cc1 17098289 YIEIZSCMWNQNIN-UHFFFAOYSA-N 432.977 3.617 0 40 IHAB COc1ccccc1CC(=O)N1CCCC[C@H]2CN(C(=O)CCc3ccccc3F)C[C@H]21 19569645 HLONCSJMTBGINZ-JTHBVZDNSA-N 438.543 3.849 0 40 IHAB CC(=O)N1CCC[C@@]1(Cc1cc(-c2ccccc2)no1)C(=O)NCCc1cccc(C)c1 19696597 MCZMPBOOYKCXSF-AREMUKBSSA-N 431.536 3.933 0 40 IHAB Cc1nc([C@H]2CCCCN2C(=O)c2cccnc2)ncc1C(=O)NCc1ccc(F)cc1 19766383 RQWQCMJDTOGLHP-OAQYLSRUSA-N 433.487 3.617 0 40 IHAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N(C)C3CCCCC3)cc2)cc1OC 20450293 SEMPCJBVURBEPK-UHFFFAOYSA-N 446.569 3.934 0 40 IHAB Cc1ccc(CSCCNC(=O)CN(c2c(C)cc(C)cc2C)S(C)(=O)=O)cc1 22384820 YMKDDVWECTVLKA-UHFFFAOYSA-N 434.627 3.736 0 40 IHAB Cc1cc(C)c(N(CC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)c(C)c1 22401670 LFEIJVKVFNHVAM-LJQANCHMSA-N 430.570 3.796 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CCSc1ccc(C)cc1 22533489 LHOGXMBMFDOOMZ-UHFFFAOYSA-N 434.583 3.909 0 40 IHAB CCn1c(SCC(=O)Nc2cc(OC)ccc2OC)nc2c([nH]c3ccccc32)c1=O 22627931 LWZOCRMCHUAFBZ-UHFFFAOYSA-N 438.509 3.646 0 40 IHAB Cc1cccc(NC(=O)CN2CCN(Cc3nc(-c4cccc(Cl)c4)no3)CC2)c1C 22931226 KUJXGPNGIOGRMO-UHFFFAOYSA-N 439.947 3.763 0 40 IHAB COC(=O)c1ccc(NC(=O)[C@H]2CCCN(c3ccc(-c4ccc(F)cc4)nn3)C2)cc1 23142870 XGZCFNMPOMYJCQ-SFHVURJKSA-N 434.471 3.924 0 40 IHAB Cc1nc2sc([C@H](c3cccc(F)c3)N3CCN(c4ccc(F)cc4)CC3)c(O)n2n1 23157426 STGJXGFNKBZXAR-IBGZPJMESA-N 441.507 3.995 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 23198317 ASXJFQKPDGUKGO-UHFFFAOYSA-N 426.504 3.918 0 40 IHAB COC(=O)c1cccc(S(=O)(=O)Oc2ccc(C3SCCS3)cc2OC)c1 24356767 YPQDICCPKYYOCW-UHFFFAOYSA-N 426.537 3.728 0 40 IHAB O=C(NC1CCN(C(=O)Cc2cc(Cl)c3c(c2)OCCCO3)CC1)c1ccc(F)cc1 25215161 LKZZHXFELSDHQA-UHFFFAOYSA-N 446.906 3.604 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c(C)c1 25266031 JNRXJPMGFVDUIJ-UHFFFAOYSA-N 433.883 3.882 0 40 IHAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 27058623 FZBHPZDYBOOPCT-UHFFFAOYSA-N 430.508 3.572 0 40 IHAB COc1ccc(-c2nnc(SCC(=O)Nc3c(C)cc(C)cc3C)nc2O)cc1OC 27300387 JSDDEOHMTBLCQG-UHFFFAOYSA-N 440.525 3.917 0 40 IHAB COC(=O)[C@H](c1ccccc1Cl)N1CCN(C(=O)c2nc(Cl)ccc2Cl)CC1 29803654 NGBVZZGNEFGNJN-KRWDZBQOSA-N 442.730 3.714 0 40 IHAB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCc1ccc(-n2cccn2)nc1 32901069 HRYCNVXRYNNPBD-IBGZPJMESA-N 446.338 3.645 0 40 IHAB Cc1cccn2c(=O)cc(COc3ccccc3NC(=O)[C@@H](C)Oc3ccccc3)nc12 33067853 JKTFRPUNIXEWMX-GOSISDBHSA-N 429.476 3.988 0 40 IHAB COc1ccc(-c2noc(-c3ccc(S(=O)(=O)N(C)Cc4ccccc4)o3)n2)cc1 36358373 LDGOWKPMPGELCO-UHFFFAOYSA-N 425.466 3.826 0 40 IHAB COc1ccc(N2CN(C[C@H]3CCCO3)Cn3c2nc(C)c(Cc2ccccc2)c3=O)cc1 38829981 VIEGALFNFKBFEN-HSZRJFAPSA-N 446.551 3.699 0 40 IHAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)C1 40118860 LDIYRRLRBMDUFC-CALCHBBNSA-N 435.615 3.647 0 40 IHAB O=C(NCc1ccc(-n2ccnc2)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 44844802 IPJKLPWBYCIBKE-UHFFFAOYSA-N 432.505 3.603 0 40 IHAB COC(=O)c1cc(NCC(=O)N[C@H](C)c2ccc(Br)cc2)c(F)cc1F 48374644 OGRUTHPLWXJCAA-SNVBAGLBSA-N 427.245 3.803 0 40 IHAB COc1ccccc1-n1c(=O)c2sccc2n(CC(=O)Nc2ccc(Cl)cc2)c1=O 57490806 VEWZDXXEFAYROI-UHFFFAOYSA-N 441.896 3.515 0 40 IHAB Cc1ccc(NC(=O)Cn2c(=O)n(-c3ccc(F)cc3C)c(=O)c3sccc32)cc1C 57493641 WVAWRJSWHCLQIE-UHFFFAOYSA-N 437.496 3.917 0 40 IHAB Cc1nnnn1-c1ccc(F)c(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c1 60381050 PFUAATDAOLKSAE-UHFFFAOYSA-N 435.790 3.583 0 40 IHAB O=C(CN1N=C(C(=O)Nc2ccc(F)cc2)CCC1=O)Nc1ccc(Cl)c(Cl)c1 67336822 ZSMGZJSEEJZGEW-UHFFFAOYSA-N 437.258 3.688 0 40 IHAB COc1cccc2cc(C(=O)NCC3CCN(c4nc5ccccc5o4)CC3)c(=O)oc12 70932336 BAXNFXCWLRGTMO-UHFFFAOYSA-N 433.464 3.589 0 40 IHAB CCCc1noc(-c2ccnc(-n3cnc(C(=O)N[C@H](C)c4ccc(OC)cc4)c3)c2)n1 71768482 SGCQGMPJBKUBSS-OAHLLOKOSA-N 432.484 3.769 0 40 IHAB Cc1nc(Cn2c(C)nc3ccccc32)cc(N[C@@H](CN2CCOCC2)c2ccccc2)n1 72373366 YQHIJATXUBBBJF-DEOSSOPVSA-N 442.567 3.977 0 40 IHAB CCNC(=O)[C@@]1(Cc2cccc(-c3cccc(F)c3)c2)CCCN(C(=O)[C@@H]2CCCO2)C1 72391565 GGUXXDCBQZXALD-JYFHCDHNSA-N 438.543 3.959 0 40 IHAB Cc1cccc(C)c1NC(=O)CNC(=O)COC(=O)c1ccccc1OCc1ccccc1 89688811 USOZSRWQRXBLIU-UHFFFAOYSA-N 446.503 3.794 0 40 IHAB CCN(CC)CCNC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 89968991 XHEVMDNFWJLFSK-UHFFFAOYSA-N 443.491 3.578 0 40 IHAB COc1cc(NC(=O)CN2CCc3c(ncn3-c3ccc(F)cc3)C2)c(OC)cc1Cl 95469113 KKEHSBIHXXROML-UHFFFAOYSA-N 444.894 3.679 0 40 IHAB S=C(NCc1cccc(CNC(=S)N[C@@H]2C[C@@H]3CC[C@@H]2C3)c1)N[C@H]1C[C@@H]2CC[C@@H]1C2 100999100 SWUWBRFMBUQOLC-RNLQGSBTSA-N 442.698 3.992 0 40 IHAB CC1(C)Cc2c(sc3c2c(=N)n(Cc2ccco2)c(=O)n3CC(=O)c2ccccc2)CO1 101228357 GNVHJNSLMGALPE-UHFFFAOYSA-N 449.532 3.719 0 40 IHAB COC(=O)c1cc(NC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)ccc1Cl 115623127 NKGFVOVJJDATAT-UHFFFAOYSA-N 446.912 3.539 0 40 IHAB COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1S(=O)(=O)c1c(Cl)cccc1Cl 206805838 XGCFUAFTLZWRIB-ABAIWWIYSA-N 448.299 3.516 0 40 IHAB Cc1ccc([C@H](C)NC(=O)CN(c2ccc(C(F)(F)F)cc2)S(C)(=O)=O)cc1C 220051724 HUUOEMFAFUNUNY-HNNXBMFYSA-N 428.476 3.966 0 40 IHAB CN(C)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(Br)cs1 223211924 WELISPTVCSGYQY-HZPDHXFCSA-N 425.421 3.830 0 40 IHAB COc1ccccc1OCCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1 224089243 XTMVQNFUKAVADU-UHFFFAOYSA-N 440.521 3.613 0 40 IHAB CC[C@@H]1CCCCN1CCCNC(=O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1 224256212 WUGDWUSFTKVNIS-OAQYLSRUSA-N 443.613 3.896 0 40 IHAB CSc1ccc(S(=O)(=O)N(C)CC(=O)NC(c2ccccc2)c2ccccc2)cc1 224636922 YZVLRJNFNGHXSD-UHFFFAOYSA-N 440.590 3.935 0 40 IHAB CC[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O 224889483 ANHZVTPCISZFTB-KRWDZBQOSA-N 446.447 3.777 0 40 IHAB O=C(C1CC1)N1CCc2cc(S(=O)(=O)Nc3ccc(Cc4ccncc4)cc3)ccc21 225175033 HXPKUDOVNISRKC-UHFFFAOYSA-N 433.533 3.772 0 40 IHAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(OC)cc1 225591497 ZYYYOUMFDRIGIX-RUZDIDTESA-N 430.548 3.932 0 40 IHAB CC(C)n1c(=O)sc2cc(S(=O)(=O)Nc3ccc(N4CCCC4=O)cc3)ccc21 225713264 SQOLVTHLSKVKQW-UHFFFAOYSA-N 431.539 3.572 0 40 IHAB Nc1ccc(-c2cccc(C(=O)N3CCOC[C@@H](Cc4cccc5cccnc45)C3)n2)cn1 257328611 XGKHFSWSRLXJNG-SFHVURJKSA-N 439.519 3.605 0 40 IHAB Cc1cc(Nc2nc(C)c(C)s2)cc([C@H]2CN(C(=O)Cc3c(C)noc3C)CCO2)n1 257341232 ZJLHDGBLORJBGP-HXUWFJFHSA-N 441.557 3.954 0 40 IHAB CCOc1ccc(NC(=O)CSc2nc(O)cc(=O)n2-c2cccc(Cl)c2)cc1 408894680 KJUFJTITCSXCLD-UHFFFAOYSA-N 431.901 3.721 0 40 IHAB CCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)cc1 409113462 AXTSTXNATXAUGS-UHFFFAOYSA-N 446.550 3.995 0 40 IHAB Cc1ccc(N([C@H](C)C(=O)Nc2ccc(Br)cc2)S(C)(=O)=O)cc1C 409380852 IZIGMTJZXGIEPC-CQSZACIVSA-N 425.348 3.859 0 40 IHAB COc1ccc(C(=O)CCc2nc(-c3cccc(-n4c(C)cnc4O)c3)no2)cc1OC 547063616 QWKPFWCVBVKPDQ-UHFFFAOYSA-N 434.452 3.769 0 40 IHAB CN(C)[C@@H](CNS(=O)(=O)c1ccc(Br)s1)c1cc2ccccc2o1 575619296 CWGFRBYPGFSQKZ-LBPRGKRZSA-N 429.361 3.838 0 40 IHAB C[C@H]1Oc2ccc(NC(=O)N3CCC(c4nc(-c5ccccc5)no4)CC3)cc2NC1=O 591486361 RAOGUVKBBWHQPJ-CQSZACIVSA-N 433.468 3.868 0 40 IHAB Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)N1CCOc2cccc(F)c2C1 669949270 ULWFIDNOKAQTAR-UHFFFAOYSA-N 425.382 3.853 0 40 IHAB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N[C@]1(C(=O)O)CCc2ccccc21 675990416 IHRFWURKGHMRKF-ATIYNZHBSA-N 428.488 3.590 0 40 IHAB O=C(N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn23)C1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 1115840056 SNTXHZCVHAHYLU-FAIOCQOHSA-N 448.489 3.785 0 40 IHAB Cc1ccc2cccc(S(=O)(=O)N[C@H]3CCCN(c4ccccc4Cl)C3=O)c2n1 1621832898 BOQJFCKCTMVWOO-KRWDZBQOSA-N 429.929 3.671 0 40 IHAB C[C@]1(Cc2ccc(F)cc2)CCCN1C(=O)CCNS(=O)(=O)/C=C/c1ccccc1 1639482713 ALWRSELKKNPFRC-GNBRFLJNSA-N 430.545 3.730 0 40 IHAB Cc1ccccc1N1CCN(C(=O)c2ccccc2NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)CC1 627441 IOWZLWSWIYORIW-VQTJNVASSA-N 447.535 3.563 0 40 IHAB COC(=O)c1c(NC(=O)CN(C)Cc2ccc(OC(F)F)c(OC)c2)sc(C)c1C 3390401 BVRPDBLGTJBGHH-UHFFFAOYSA-N 442.484 3.832 0 40 IHAB Cc1cc(O[C@@H](C)C(=O)NC2CC(C)(C)NC(C)(C)C2)c2c3c(c(=O)oc2c1)CCC3 5246185 RWWMFOMLJZFXKP-HNNXBMFYSA-N 426.557 3.783 0 40 IHAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3nc(-c4c[nH]c5ccccc45)cs3)ccc21 8736027 JKNKEDFLCWVVDZ-UHFFFAOYSA-N 431.477 3.567 0 40 IHAB CCN(Cc1cccs1)C(=O)/C=C/c1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 8768230 KNMXOQVMYIWYIL-ZRDIBKRKSA-N 448.610 3.993 0 40 IHAB CCCOC[C@H]1C[C@@]2(C[C@@](C)(c3csc(Cc4ccccc4OC)n3)OC2=O)C(=O)O1 8917988 AUOVLTAQTPUHOW-UZFJHSOTSA-N 445.537 3.633 0 40 IHAB CCCCn1cc(S(=O)(=O)c2ccccc2)c(=O)c2cc(F)c(N3CCOCC3)cc21 9118994 ZZGBIENYAWJMAG-UHFFFAOYSA-N 444.528 3.610 0 40 IHAB COc1ccc(OC)c(C2=NO[C@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)c2cccs2)c1 9130139 QAPLYOLNSIOZEF-XXBNENTESA-N 434.473 3.846 0 40 IHAB CN(C(=O)Cn1c(=O)sc2ccccc21)c1nnc(SCc2ccccc2)s1 9226886 LVAXCSDYCKHLHC-UHFFFAOYSA-N 428.564 3.870 0 40 IHAB Cc1cc(C)cc(NC(=O)COC(=O)c2cc3cc(Br)ccc3oc2=O)c1 9244584 OCHRSTGJLSBUNW-UHFFFAOYSA-N 430.254 3.968 0 40 IHAB CCOc1ccc2nc(COC(=O)c3ccccc3)c(C(=O)c3ccccc3)[n+]([O-])c2c1 9307958 KEBMYIFIYGVKQV-UHFFFAOYSA-N 428.444 3.855 0 40 IHAB O=C(Cn1c2c(sc1=O)[C@@H]1c3ccccc3OC[C@H]1CS2)Nc1ccc(F)cc1 9429795 PHMLDPRJGXQWCB-SGTLLEGYSA-N 428.510 3.934 0 40 IHAB Cc1ccccc1OCc1nnc(SCC(=O)NCc2cccnc2)n1-c1ccccc1 9468565 BXBJJGHLSSCWNU-UHFFFAOYSA-N 445.548 3.958 0 40 IHAB COC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)Nc1ccc2c(c1)OCCO2 9645793 HXFMGSYSJMAOJH-UHFFFAOYSA-N 431.491 3.774 0 40 IHAB CCOc1ccc(C(=O)CCC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 9957372 FBMQDWWDDBYDML-UHFFFAOYSA-N 444.553 3.862 0 40 IHAB Cc1ccc(NC(=O)CCc2nnc(S[C@@H](C)c3nc4ccccc4c(=O)[nH]3)n2C)cc1 10158466 DLCCFIBQDMYHPA-HNNXBMFYSA-N 448.552 3.785 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc4c(s3)C[C@H](C)CC4)CC2)cc1 10337552 QRVYTSUVCUAAGT-OAHLLOKOSA-N 433.599 3.616 0 40 IHAB O=C(NC[C@@H](c1cccs1)c1c[nH]c2ccccc12)N1CCN(c2ncccn2)CC1 10467302 NGGDTRJDAJDCSI-LJQANCHMSA-N 432.553 3.683 0 40 IHAB O=C(CNc1ccc(Cl)c(C(F)(F)F)c1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 11253915 NZFJRQJRTJZDJL-HNNXBMFYSA-N 446.878 3.991 0 40 IHAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NC1CCN(C(=O)c2ccco2)CC1 11528214 UNGSLDMKAJVONW-UHFFFAOYSA-N 430.867 3.601 0 40 IHAB COc1ccccc1[C@H](CNC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)N(C)C 11603288 RMKFWRRICSBXFG-QFBILLFUSA-N 433.961 3.571 0 40 IHAB COc1ccc(C(=O)Nc2cc(-c3ccco3)nn2-c2nc(C(C)C)cc(=O)[nH]2)c(OC)c1 12007712 BNEFRAWAGHAAEW-UHFFFAOYSA-N 449.467 3.609 0 40 IHAB CC(C)(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCCCN3C(=O)Cn3cccn3)cc2n1 12230083 CFOJEFSTZLAFDK-HNNXBMFYSA-N 434.466 3.996 0 40 IHAB O=C(COC(=O)C[C@@H]1Sc2ccccc2NC1=O)Nc1ccccc1SC(F)F 12256410 LVRMXTJIESQYAT-HNNXBMFYSA-N 438.477 3.986 0 40 IHAB Cc1cccc(NC(=O)c2cc3ccccc3o/c2=N\NS(=O)(=O)c2ccccc2)c1 12437616 YOFLSIFPNAMMJN-BZZOAKBMSA-N 433.489 3.788 0 40 IHAB Cc1nnc(SCC(=O)Nc2ccccc2C(=O)N2CCCCC2)n1-c1ccccc1 12550262 CQNDXKQNVCAEAT-UHFFFAOYSA-N 435.553 3.933 0 40 IHAB COc1ccc(-c2nc(CC(=O)N[C@@H](C)c3ccc(-n4cncn4)cc3)cs2)cc1OC 12583608 UNPAWMUCSBEWBD-HNNXBMFYSA-N 449.536 3.828 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)CSc1nnc(COc2cccc(C)c2)o1 12674725 ATKDWYPQSPAJKM-UHFFFAOYSA-N 427.482 3.865 0 40 IHAB Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)NCc1c(C)nn(-c2ccccc2)c1C 12770173 NABZGUSCWASTHJ-UHFFFAOYSA-N 430.556 3.945 0 40 IHAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 12784370 XRZJHMLCEPKUSL-GOSISDBHSA-N 441.534 3.603 0 40 IHAB CCCCNC(=O)c1ccccc1N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 12865002 FCJDXTHDHIUXMU-VWLOTQADSA-N 430.508 3.938 0 40 IHAB biogenic CCOc1ccccc1NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)c2ccco2)CC1 13117199 CJDQGABODXENKA-QHCPKHFHSA-N 433.508 3.816 0 40 IHAB O=C(NCc1ccco1)c1cccc(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)c1 13149223 DIAHQDVVAKSKLZ-UHFFFAOYSA-N 435.867 3.641 0 40 IHAB O=C(COc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)NC[C@@H](O)c1ccccc1 13554724 RTDMMGYSMCFWTB-LJQANCHMSA-N 427.884 3.554 0 40 IHAB Cc1ccc(OCc2nnc(S[C@@H](C)C(=O)Nc3ccc4c(c3)OCO4)n2C)c(C)c1 13568128 ZRYMGYGRBQFGLO-HNNXBMFYSA-N 440.525 3.859 0 40 IHAB CCOC(=O)c1cccc(NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c1 13672411 ZLTIOTVCIVONQR-UHFFFAOYSA-N 445.324 3.575 0 40 IHAB CC(C)[C@@H](NCC(=O)Nc1cc(Cl)ccc1-n1cncn1)c1ccc2c(c1)OCCO2 14186180 QIMLBAXRNPUCGI-JOCHJYFZSA-N 441.919 3.617 0 40 IHAB O=C(COc1cccc(C(F)(F)F)c1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 15154202 SWBCZGMNHFTMMA-UHFFFAOYSA-N 442.459 3.898 0 40 IHAB C[C@H](Sc1nc2cc(Cl)ccc2s1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 15181820 NLFBDDBYIQNDII-VIFPVBQESA-N 427.960 3.716 0 40 IHAB CCCCOc1c(I)cc(C=O)cc1I 15277160 NCTZAEFOKUHDHM-UHFFFAOYSA-N 430.023 3.887 0 40 IHAB O=C(CSc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 16024801 FYJBYONUPVITRI-UHFFFAOYSA-N 434.930 3.662 0 40 IHAB CCc1nnc2c(NCCCN3CCN(c4ccccc4F)CC3)nc3ccccc3n12 16162632 BBSWRBRHPRNPNV-UHFFFAOYSA-N 433.535 3.603 0 40 IHAB COc1ccc(CC(=O)NCCn2ncc(-c3ccncc3)c2-c2ccc(C)nc2)cc1 19214997 VCKCRSLGKWTUKN-UHFFFAOYSA-N 427.508 3.683 0 40 IHAB COc1ccc(CN2CCc3c(nc(C(C)C)nc3N3CCCC3)C2)c(OC)c1OC 19453627 SEUVOAKUXPJTNR-UHFFFAOYSA-N 426.561 3.784 0 40 IHAB Cc1nc([C@H]2CCCN(C(=O)c3cnn(C)c3)C2)nc2c1CCCN2CCc1ccccc1 19707031 IWNBKGVVCCLCQF-NRFANRHFSA-N 444.583 3.534 0 40 IHAB COCC(=O)OCCN1CCN([C@@H]2Cc3cc(Cl)ccc3Sc3ccccc32)CC1 19802475 FRGCXZSGPORGBF-HXUWFJFHSA-N 447.000 3.896 0 40 IHAB Cc1ccc2c(c1)[C@H](NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O)CC(C)(C)O2 22331053 BNKSVUJTINTTAO-GOSISDBHSA-N 436.961 3.833 0 40 IHAB COc1ccc([C@@H](C)NC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1OC 22525920 POMGBSFZYZGPKY-MRXNPFEDSA-N 448.585 3.645 0 40 IHAB CC(=O)c1cc2c(cc1NC(=O)COc1cc3oc(=O)cc(C)c3cc1Cl)OCO2 23550610 FPKWXBWKJJUNJR-UHFFFAOYSA-N 429.812 3.704 0 40 IHAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)OC(=O)CCc1nc2ccccc2s1 23560238 MXOSCDMDRKZTFV-INIZCTEOSA-N 439.537 3.532 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)c2ccc(-n3nccc3C)cc2)cc1 23796290 LOOMBADAMQNWSE-GOSISDBHSA-N 440.569 3.702 0 40 IHAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCc1ccccc1CN1CCOCC1 23883270 FHRGJQWXWFKYCY-UHFFFAOYSA-N 438.959 3.655 0 40 IHAB COc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(F)c(Cl)c4)ccn3n2)cc1 24007509 GMFQNRKDWGXZNY-UHFFFAOYSA-N 426.835 3.603 0 40 IHAB CN(C)[C@H](CNC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)c1cccc(F)c1 27594145 GROQGNPZDQVCOI-OAQYLSRUSA-N 427.907 3.722 0 40 IHAB COc1ccc(CSc2nnc(Nc3ccc(Br)cc3)c(=O)n2C)cc1 28538871 JXTWVDDCHQVXFN-UHFFFAOYSA-N 433.331 3.982 0 40 IHAB COc1ccc(Cl)cc1N([C@@H](C)C(=O)N[C@H](C)c1ccc(F)cc1)S(C)(=O)=O 36092727 MPAGMPLWZXCXEA-OLZOCXBDSA-N 428.913 3.520 0 40 IHAB COc1ccc(-c2cc(C(=O)Nc3ccc(Cn4cncn4)cc3)c3cnn(C)c3n2)cc1 36616493 UBPLDVGAHDZDKE-UHFFFAOYSA-N 439.479 3.536 0 40 IHAB Cc1ccc(C)c(N(CCCC(=O)Nc2ccc(N3CCCC3=O)cc2)S(C)(=O)=O)c1 38754953 YGMXKVRWBVKSOM-UHFFFAOYSA-N 443.569 3.615 0 40 IHAB CC[C@H](C(=O)NCc1ccc(OC(C)C)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 38756618 IWWDRLALQRGHSC-HXUWFJFHSA-N 438.977 3.988 0 40 IHAB CS(=O)(=O)N1C[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)Oc2ccc(Cl)cc21 38834740 DJRSNOYLIZYZBC-HNNXBMFYSA-N 434.823 3.525 0 40 IHAB CC(C)N(C)CC1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)CC1 39563938 GRPSIRQBMUYFPE-UHFFFAOYSA-N 429.586 3.680 0 40 IHAB O=S(=O)(Nc1cccc2[nH]ncc12)c1cc(Br)ccc1Br 40155184 GCDGEIWBDYIACZ-UHFFFAOYSA-N 431.109 3.889 0 40 IHAB COc1ccc2nc(NC(=O)c3sc(N(C[C@@H]4CCCO4)C(C)=O)nc3C)sc2c1 44892553 XOAZUUBOJVHBTQ-AWEZNQCLSA-N 446.554 3.854 0 40 IHAB C[C@H](CCc1ccccc1)NC(=O)Cn1nc(-c2ccc(Br)cc2)ccc1=O 49545722 IUKDIFOGSCLRAD-MRXNPFEDSA-N 440.341 3.810 0 40 IHAB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2ccccc2C)cc1 59444219 REVRREHSWCQGQG-UHFFFAOYSA-N 438.549 3.876 0 40 IHAB Cc1cccc(C)c1OC[C@@H](O)CNc1cnn(-c2ccc(F)cc2F)c(=O)c1Cl 60082028 MYKVZROCXGVPBP-HNNXBMFYSA-N 435.858 3.633 0 40 IHAB Cn1cc([C@H]2C[C@H]2C(=O)Nc2cc(C(F)(F)F)ccc2I)cn1 60322915 JYEBETUHGDTHQT-GHMZBOCLSA-N 435.187 3.786 0 40 IHAB CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCc1ccnc(N2CCCC2)c1 71794784 WAZOWAFFAKBNNZ-OJNXCIKNSA-N 438.616 3.655 0 40 IHAB O=C(C1=NN(c2ccccc2)[C@H](c2ccccc2)C1)N1CCN(Cc2cccnc2)CC1 71800160 PPYCSECTUFYNAB-VWLOTQADSA-N 425.536 3.733 0 40 IHAB CCN(CC)C(=O)c1c[nH]nc1[C@H]1CCCCN1C(=O)COc1ccc(F)c(Cl)c1 72351362 YDQKWCRPDAATNQ-GOSISDBHSA-N 436.915 3.817 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(Nc3nc(C)cc(C)n3)cn2)cc1 72353036 YEXLIDVOUFBZSR-NRFANRHFSA-N 439.541 3.766 0 40 IHAB COc1cccc(N(C)CCC(=O)N2CCC[C@H](c3ccc(Nc4cnccn4)cn3)C2)c1 72353484 YRTKFKGBMQBNQM-IBGZPJMESA-N 446.555 3.856 0 40 IHAB CCNC(=O)[C@@]1(Cc2cc(-c3ccc(C)cc3)no2)CCCN(C(=O)c2ccccn2)C1 72396011 LDXYSWRWZYLJBU-RUZDIDTESA-N 432.524 3.646 0 40 IHAB O=C(c1ccc(Br)o1)N1CCC(Oc2ncccc2Br)CC1 96096964 FVTPVQUXENKMOA-UHFFFAOYSA-N 430.096 3.883 0 40 IHAB COc1cc(CN2C[C@H](OCc3nc4ccc(C)cc4[nH]3)[C@H](F)C2)cc(OC)c1OC 96112316 IUVZMVGCUJCMQX-IERDGZPVSA-N 429.492 3.636 0 40 IHAB biogenic,in-vitro O=C1CS[C@@H](c2c[nH]nc2-c2ccccc2)c2c(O)nn(C3CCSCC3)c2N1 96117419 JPMWACCJTQWRAC-SFHVURJKSA-N 427.555 3.822 0 40 IHAB Cc1cc(Br)c(Cl)cc1NC(=O)[C@H](C)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 102085465 FJFUIZSRDOWKSF-WQFFQYHTSA-N 437.721 3.545 0 40 IHAB Cc1c(Cl)cccc1NC(=O)CSC(=S)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 113482206 JAKZODKKELKSIE-GJZGRUSLSA-N 448.013 3.886 0 40 IHAB COc1ccc(OC)c(N([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)S(C)(=O)=O)c1 220209664 TYSFJOCFGJMRKV-LLVKDONJSA-N 447.340 3.804 0 40 IHAB COc1ccc(NC(=O)[C@H](C)N(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1OC 220246925 QETRNLRHHQILGR-NSHDSACASA-N 447.340 3.804 0 40 IHAB COc1ccc(CCCNC(=O)[C@@H](C)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 220368510 HEXRAUPDKVKPHE-MRXNPFEDSA-N 438.977 3.561 0 40 IHAB CC[C@H](C(=O)Nc1ccccc1Br)N(c1ccc(OC)cc1)S(C)(=O)=O 220639425 FGTGLGKWSYMVRQ-QGZVFWFLSA-N 441.347 3.641 0 40 IHAB COC(=O)c1cn(C(=O)[C@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)c2ccccc12 222599448 KHVSKBLHXARFLK-INIZCTEOSA-N 428.510 3.540 0 40 IHAB CC[C@H](C(=O)NCc1cccc(C(F)(F)F)c1)N(c1ccc(OC)cc1)S(C)(=O)=O 223092827 SERYAPLSKQBOFD-GOSISDBHSA-N 444.475 3.575 0 40 IHAB COc1ccc(C(=O)OC(C)C)cc1NS(=O)(=O)c1ccc(Br)cc1 223642361 LXPFDGSIEJBCKU-UHFFFAOYSA-N 428.304 3.824 0 40 IHAB CN1CCC(Oc2ccc(CNS(=O)(=O)c3ccc4c(c3)CCC(C)(C)O4)cc2)CC1 223707294 NWAXIYZGTMZDOP-UHFFFAOYSA-N 444.597 3.742 0 40 IHAB CCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(N2CCOCC2)cc1 223953748 VXRUWSGVNSFVBF-DHIUTWEWSA-N 433.581 3.917 0 40 IHAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1ccc(OC)cc1 225750056 VEVWKLGTBVEWFQ-MBSDFSHPSA-N 442.556 3.805 0 40 IHAB COc1cccc(CN2CCC[C@H]([C@H]3C[C@H](C(=O)Nc4ccccc4OC)CN3C)C2)c1 248130542 NCDNKBWKCYFGNK-AWRGLXIESA-N 437.584 3.875 0 40 IHAB CNC(=O)c1cc(C)nc(C2(C)CCN(C(=O)C3(c4cccc(F)c4)CCCC3)CC2)n1 257224436 FBVKBKGMFCPHKQ-UHFFFAOYSA-N 438.547 3.676 0 40 IHAB Cc1cc2nccc([C@H]3CC[C@H](CNC(=O)c4ccccc4Cn4cccn4)CC3)n2n1 257245753 IQYNBXWDPHGULX-MXVIHJGJSA-N 428.540 3.986 0 40 IHAB Cc1ccc(NC(=O)Cc2nnc(SCC(=O)Nc3cccc(Cl)c3)n2C)cc1 409346862 OSPQTKGHGSOQSX-UHFFFAOYSA-N 429.933 3.689 0 40 IHAB C[C@]1(C(=O)N2CCO[C@]3(C2)C(=O)N(Cc2cccnc2)C[C@H]3c2ccccc2)CC=CCC1 2055793544 RLGHYGFPCGKSTK-YGPDHOBYSA-N 445.563 3.552 0 40 IHAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(C)cc2C)CC1=O 1289837 YDKZBFXDGDUUJC-HNNXBMFYSA-N 430.888 3.500 0 40 IHAB O=S(=O)(c1ccc(Br)cc1)N1CCN(c2nc3ccccc3s2)CC1 1398783 ZSIIUBBPSDEPIR-UHFFFAOYSA-N 438.372 3.570 0 40 IHAB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2)c1cccs1 2664384 ROKAFQXYJOZWKL-IBGZPJMESA-N 447.516 3.616 0 40 IHAB CC(=O)c1ccc(NC(=O)[C@H](C)N(C)CC(=O)Nc2ccccc2Br)cc1 3324715 UEZDJAHHKKHPNC-ZDUSSCGKSA-N 432.318 3.549 0 40 IHAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NCCc2ccc(Cl)cc2Cl)C1=O 3392120 XNKUFQGHYGLVDU-NRFANRHFSA-N 434.323 3.509 0 40 IHAB CCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)ccc12 4073306 HHJIRPBCFIQOJU-KMEZTADASA-N 427.541 3.975 0 40 IHAB COc1ccc(Br)cc1S(=O)(=O)NCCOC12CC3CC(CC(C3)C1)C2 5941252 ZTAHTQALWKRWKH-UHFFFAOYSA-N 444.391 3.721 0 40 IHAB Cc1cc(C)c2cc(CN(CCCN(C)C)C(=S)NCc3ccccc3)c(=O)[nH]c2c1 6301280 AXGPAKQCBGOPEJ-UHFFFAOYSA-N 436.625 3.973 0 40 IHAB O=C(c1ccc(Br)cc1)N(Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 8384379 RQNWBBVJIGXWBB-KRWDZBQOSA-N 442.762 3.932 0 40 IHAB Cc1nc(NC(=O)c2nn(-c3cccc(Cl)c3)ccc2=O)sc1C(=O)OCC(C)C 9206215 ILJCCLFJNIQLGC-UHFFFAOYSA-N 446.916 3.716 0 40 IHAB CN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(C(=O)Nc2ccc3sccc3c2)cc1 9599569 HVVQVHXSQCAIMQ-GOSISDBHSA-N 430.551 3.953 0 40 IHAB COc1ccc(-c2nnc(SCC(=O)Nc3nccs3)n2CC(C)C)cc1OC 9699357 HYJIPMXNWIVKEL-UHFFFAOYSA-N 433.559 3.806 0 40 IHAB Cc1ccc(S(=O)(=O)[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)c2ccco2)cc1 9740512 AESQSBIBEIKFDP-LJQANCHMSA-N 439.942 3.735 0 40 IHAB C[C@H](Sc1nnc(C(C)(C)C)n1N)C(=O)Nc1ccc(OCc2ccccc2)cc1 9884508 RFEOMNHOEGDEOP-HNNXBMFYSA-N 425.558 3.988 0 40 IHAB CCOC(=O)C1CCN(C(=O)COC(=O)CSc2cccc3cccc(Cl)c23)CC1 9984472 QKGVMLRMHVUSLG-UHFFFAOYSA-N 449.956 3.930 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCC[C@H](C)C2)c2ccc(F)cc2)cc1 10541569 YMVFDTJAOZPRBZ-KRWDZBQOSA-N 434.533 3.678 0 40 IHAB Cc1cccc(N(Cc2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2)S(C)(=O)=O)c1 10688521 MDVPTLVDFYLHEP-UHFFFAOYSA-N 438.505 3.942 0 40 IHAB COc1ccc(C)cc1-n1c(S[C@H](C)C(=O)N(C)C)nc2cc(Cl)ccc2c1=O 11066559 JRHIAYBFXCMMBN-CYBMUJFWSA-N 431.945 3.925 0 40 IHAB CCN(C(=O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1)c1ccccc1 12608807 LYAXZWYJESEGSG-UHFFFAOYSA-N 449.576 3.864 0 40 IHAB CCCc1ccc(S(=O)(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)cc1 12650434 YHLUMXXEBMCJQU-UHFFFAOYSA-N 428.510 3.659 0 40 IHAB CCCCN(C(=O)c1ccc(-c2ccc(Cl)cc2)o1)c1c(N)n(CCC)c(=O)[nH]c1=O 12891583 XJDGZEMADOYGHB-UHFFFAOYSA-N 444.919 3.889 0 40 IHAB Cc1cccc(NC(=O)CN(C)CC(=O)Nc2cc3c(cc2Cl)OCCCO3)c1C 12928421 BKBCSGZUWQWHBK-UHFFFAOYSA-N 431.920 3.627 0 40 IHAB CCCCn1c(N)c(N(CC(C)C)C(=O)Nc2cccc(C(F)(F)F)c2)c(=O)[nH]c1=O 13164163 QLDJHZBSSNBLIH-UHFFFAOYSA-N 441.454 3.632 0 40 IHAB CS(=O)(=O)N1CCC[C@H](C(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)C1 13790054 WZBISNZQWTZNMU-QMMMGPOBSA-N 440.399 3.789 0 40 IHAB CC(=O)Nc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1 14155401 UQRQZHOMWNVPNF-UHFFFAOYSA-N 441.484 3.618 0 40 IHAB CC(C)(C)CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 14184681 JTACEEUJJBHXDS-UHFFFAOYSA-N 426.888 3.628 0 40 IHAB O=C(c1cn(-c2ccccc2)nc1-c1cccs1)N1CCN(C(=O)N2CCCCC2)CC1 14847166 VNPBPXWACJBFPM-UHFFFAOYSA-N 449.580 3.965 0 40 IHAB C[C@H](c1nnc(SCC(=O)c2ccc(Cl)cc2)n1C)N1C(=O)COc2ccccc21 15019126 CLRPZTSERMTHGS-CYBMUJFWSA-N 442.928 3.930 0 40 IHAB Cc1cc(Br)ccc1NC(=O)c1ccc(=O)n(CCOc2ccccc2)n1 15764681 ZTXCIRLZMUJNGB-UHFFFAOYSA-N 428.286 3.646 0 40 IHAB O=C(CSc1nnc(NC(=O)Nc2ccc(F)cc2)s1)Nc1ccc2c(c1)OCO2 15882667 YPJHWNFOMRFHKX-UHFFFAOYSA-N 447.473 3.781 0 40 IHAB CCN(CC(=O)Nc1cc(OC)cc(OC)c1)CC(=O)Nc1ccccc1C(F)(F)F 16588649 DJDIIZHPTDEVEV-UHFFFAOYSA-N 439.434 3.622 0 40 IHAB O=C(c1ccc(Cl)cc1)c1ccc(OCC(=O)N2CCN(c3ccccn3)CC2)cc1 18972200 SRVFBQVDZOSDCE-UHFFFAOYSA-N 435.911 3.694 0 40 IHAB CC[C@@H]1CCCCN1CC(=O)NCc1ccc(-c2ccnc3nc(C(F)(F)F)nn23)cc1 19500965 KZHVPDKXUJIBJZ-QGZVFWFLSA-N 446.477 3.691 0 40 IHAB CCn1cncc1C(=O)N1CC[C@@](Cc2cccc(-c3cccnc3)c2)(C(=O)NC(C)C)C1 19578351 XUJLKPDJWVOONW-SANMLTNESA-N 445.567 3.565 0 40 IHAB O=C(COc1ccc(Br)cc1)NC(=S)Nc1ccc(Cl)c(C(=O)O)c1 19639170 CYPSAKUTUMALJR-UHFFFAOYSA-N 443.706 3.693 0 40 IHAB CCN(CC)C(=O)c1cnc([C@@H]2CCN(C(=O)c3ccc4c(c3)ncn4C3CC3)C2)nc1C 19751783 GZJIMXJFAPAFAU-GOSISDBHSA-N 446.555 3.581 0 40 IHAB COc1ccc(CNC(=O)c2cnc(C)nc2[C@H]2CCCN2C(=O)c2ccccc2)cc1 19766710 OSSVAMDPDNAWMI-JOCHJYFZSA-N 430.508 3.701 0 40 IHAB C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1)c1ccccc1 20007672 DNWHNNRMRSDFEN-JTSKRJEESA-N 426.513 3.593 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)OCc3nnsc3Cl)cc2)c1 22033845 HEJZNTHVLIFBIV-UHFFFAOYSA-N 438.914 3.933 0 40 IHAB COc1ccc([C@H](C)NC(=O)C2CCN(S(=O)(=O)CCCc3ccccc3)CC2)cc1 22517474 GFONOZUHWXNBRP-IBGZPJMESA-N 444.597 3.547 0 40 IHAB COc1ccc([C@H](CNCc2c[nH]nc2-c2ccc(Cl)cc2)N2CCOCC2)cc1 22926844 NKHJZZFSQQGZDN-QFIPXVFZSA-N 426.948 3.902 0 40 IHAB COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)N1CCN(Cc2cc(C)on2)CC1 22928419 UHSAXDLKOXFCLZ-DEOSSOPVSA-N 434.540 3.798 0 40 IHAB C[C@H](Sc1nnc(NCCc2cccs2)s1)C(=O)N1CC(=O)Nc2ccccc21 24719960 LGYWTIPIYSLHPT-LBPRGKRZSA-N 445.595 3.720 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(C)c4ncccc34)C2)s1 24832587 GGCVFWHTGCELAR-MRXNPFEDSA-N 429.567 3.953 0 40 IHAB COc1cccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc(Cl)c3Cl)CC2=O)c1 31517639 YBOQRLKRPCRHIQ-LBPRGKRZSA-N 437.279 3.537 0 40 IHAB COc1ccc(OC(=O)c2nc(S(=O)(=O)Cc3ccccc3C)ncc2Cl)cc1 32623724 PBJXZBQPXGZLBT-UHFFFAOYSA-N 432.885 3.640 0 40 IHAB Cc1ccc([C@@](O)(CCNC(=O)NC2CCN(Cc3ccccc3)CC2)C(F)(F)F)o1 32779440 CHHUFPVZAOQIDT-NRFANRHFSA-N 439.478 3.692 0 40 IHAB C[C@H]1CN(S(=O)(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)C[C@@H](C)O1 32895500 MPFBRSTXNCCJNO-GQIGUUNPSA-N 447.988 3.897 0 40 IHAB Cc1nc(C)c(-c2nnc(SCC(=O)N[C@H](C)c3ccc4c(c3)OCCO4)o2)s1 32905937 LQXHQSFGQHTXHT-SNVBAGLBSA-N 432.527 3.551 0 40 IHAB CCC(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2cc(C)cc(C)c2)nc1O 35378058 GIQNVXQAUQJXFZ-UHFFFAOYSA-N 437.525 3.940 0 40 IHAB CCn1cc([C@@H](C)NC(=O)c2cc(-c3cccc(OC)c3)nc3c2c(C)nn3C)c(C)n1 36616384 JFBJAXJOJSHFHS-CQSZACIVSA-N 432.528 3.968 0 40 IHAB Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4cccc(Cl)c4)[nH]c(=O)c32)cc1C 40399345 AABKLWQSTDYLPN-MRXNPFEDSA-N 437.887 3.848 0 40 IHAB C[C@H]1CN(Cc2ccccc2CNC(=O)Cc2csc(-c3ccco3)n2)C[C@H](C)O1 48248687 YOFKETGIYYHSAN-IRXDYDNUSA-N 425.554 3.871 0 40 IHAB Cc1ccc(Sc2ccc3nn(CC(=O)Nc4cccc(Cl)c4)c(=O)n3n2)cc1 49001643 FCSSVCOUXCXJPK-UHFFFAOYSA-N 425.901 3.643 0 40 IHAB O=C(CN1CCN(c2ccc3c(c2)OCCO3)C1=O)Nc1nc2ccc(Cl)cc2s1 49390758 RXEUKWDJFMQGQT-UHFFFAOYSA-N 444.900 3.602 0 40 IHAB CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)N2CCN(C(=O)c3ccccc3)CC2)CC1=O 49590342 CVBMEDGOEAXDKN-CTNGQTDRSA-N 433.552 3.538 0 40 IHAB COc1ccc2cc(CCNC(=O)CCN3C(=O)S/C(=C\c4ccccc4)C3=O)[nH]c2c1 57434722 RFBYVTGNIDLHES-BKUYFWCQSA-N 449.532 3.962 0 40 IHAB CCn1c(SCC(=O)Nc2ccc(Br)cc2F)nc2cc(C)[nH]c2c1=O 57521859 WLQOKSXSEPGPLP-UHFFFAOYSA-N 439.310 3.685 0 40 IHAB CCCc1nnc2c(=O)n(CC(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc3n12 57522750 MAOAFKBXPQEVKR-UHFFFAOYSA-N 429.402 3.654 0 40 IHAB O=C(NC[C@H]([C@@H]1CCOC1)N1CCCC1)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 58433996 XLHGSNHCQYZHSA-XMSQKQJNSA-N 446.567 3.967 0 40 IHAB CC(C)NC(=O)c1ccc(Cl)c(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)c1 59338127 FDPLBOPCIJOFTE-SFHVURJKSA-N 427.932 3.508 0 40 IHAB CC1(C)CC(=O)c2sc(NC(=O)[C@@H]3CCCN(C(=O)Cc4ccccc4)C3)nc2C1 71800132 NIGIFRPFMOLRKE-MRXNPFEDSA-N 425.554 3.718 0 40 IHAB C[C@@H]1C[C@H]1C(=O)NCCC(=O)N1CCC[C@@H]1c1nc(-c2cccc(C(F)(F)F)c2)c[nH]1 72290214 QKQKFAGIRXZXMD-MZMPZRCHSA-N 434.462 3.921 0 40 IHAB CCN(CC)CCNc1nc(-c2ccncc2)nc2c1CN(Cc1ccc(F)cc1)CC2 72341935 RYMKQHVYHMQLQF-UHFFFAOYSA-N 434.563 3.990 0 40 IHAB CCc1nnc(Nc2cccc([C@H]3CCCN3C(=O)c3c(C)cc(C)n(C)c3=O)n2)s1 72375536 IXSYWKNJBNTBJP-MRXNPFEDSA-N 438.557 3.532 0 40 IHAB CN(C)C(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)Cc2cccnc2)C1 72391068 AZSVZEQEXJQWNN-HHHXNRCGSA-N 427.548 3.841 0 40 IHAB O=C([C@@H]1CCS(=O)(=O)C1)N(Cc1ccc(Br)cc1)c1ccc(F)cc1F 89787575 SAPCPGVOUUOALM-CYBMUJFWSA-N 444.297 3.695 0 40 IHAB CC1(C)C[C@H]2C[C@@](C)(CN2[C@H](C(=O)O)c2c[nH]c3cc(NC(=O)CCC(=O)O)ccc23)C1 101653572 WDMRDUHOSJOFOP-OQHVVPOVSA-N 441.528 3.998 0 40 IHAB COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4C)C(=O)[C@@H]3ON2c2ccccc2)ccc1O 102724237 VZAFSPQRRKUHIT-DNVJHFABSA-N 430.460 3.760 0 40 IHAB COc1ccc(NC(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1OC 113955994 INZVXZFGUZDESK-UHFFFAOYSA-N 426.922 3.542 0 40 IHAB CC[C@H]1CCCCN1c1nc(=O)c2c([nH]1)NC(=O)C[C@H]2C(=O)Nc1ccc(C(C)C)cc1 139107524 ZNCCGRRQANXUNU-ZWKOTPCHSA-N 437.544 3.727 0 40 IHAB CC(C)Oc1cccc(CCCNC(=O)[C@H](C)N(c2cccc(F)c2)S(C)(=O)=O)c1 220485297 RVZSLULHDSUBSQ-KRWDZBQOSA-N 436.549 3.516 0 40 IHAB COc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc4cc(OC)ccc4c3)n2)cc1 222726706 XEWGPHGGGBCRIM-UHFFFAOYSA-N 439.493 3.728 0 40 IHAB Cc1ccc(NC(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)c(Br)c1 223047397 XBGQJPHZCPAKHG-UHFFFAOYSA-N 437.359 3.770 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)Nc1cccc(OC(C)C)c1 223232131 BLROWCXLIJDGIT-UHFFFAOYSA-N 446.569 3.838 0 40 IHAB COc1ccc(N(CC(=O)NCC2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 223575932 ANCIGRCDYWKTNF-UHFFFAOYSA-N 430.570 3.895 0 40 IHAB Cc1cc(Cl)ccc1N(CC(=O)NCCOc1ccc2ccccc2c1)S(C)(=O)=O 223592713 LCHYQVPWVHHCHF-UHFFFAOYSA-N 446.956 3.763 0 40 IHAB CN(Cc1nc(-c2ccccc2Cl)no1)S(=O)(=O)c1ccc(Br)cc1 223760745 ZOIFUJMCFBIOGT-UHFFFAOYSA-N 442.722 3.973 0 40 IHAB Cc1ccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)cc1Cl 224144204 OZWZOFVVQDBPFD-UHFFFAOYSA-N 436.961 3.550 0 40 IHAB COc1cc2c(cc1OC)-n1cccc1[C@H](c1ccc(NS(C)(=O)=O)cc1)CC2=O 225382479 NHFAPDMJWCXZSF-INIZCTEOSA-N 426.494 3.584 0 40 IHAB CCCn1c(=O)sc2cc(S(=O)(=O)Nc3ccc(C(=O)OCC)cc3C)ccc21 225728314 LWXYOBWEFGBDJE-UHFFFAOYSA-N 434.539 3.759 0 40 IHAB Cn1c(CNC(=O)[C@@H]2C[C@H]3CC[C@@]2(C)C[C@@]32NC(=O)c3ccccc3N2)nc2ccccc21 253596255 PBQGJTUALVLNKU-FNWGLOPDSA-N 443.551 3.568 0 40 IHAB O=C1CO[C@]2(CCN(C(=O)C3(c4ccccc4F)CCCC3)C2)CN1c1ccc(F)cc1 257224125 FAKYSMLUUJJVCP-DEOSSOPVSA-N 440.490 3.811 0 40 IHAB O=C(Cn1ncc2ccccc2c1=O)N1CCCC[C@H]1c1ncc(Cc2ccccc2)o1 257337101 YRISTZOMAORRRE-QFIPXVFZSA-N 428.492 3.729 0 40 IHAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1Cl 408555531 XMGJSMOUVPUOSF-SECBINFHSA-N 437.732 3.961 0 40 IHAB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)Nc1cccc(Cl)c1 408665266 RFBRZZIOBGIYNM-RTBURBONSA-N 438.867 3.591 0 40 IHAB COc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccc(Cl)cc3)[C@H]2c2ccc(C)cc2)cc1 409059877 YDABERZIOAKJGF-WSBKAMHLSA-O 448.930 3.673 0 40 IHAB CCOc1cc(/C=C2/NC(=O)N(CC)C2=O)cc(Cl)c1OCc1ccc(C(=O)O)cc1 409255259 YQBHUUHKQQQATF-LICLKQGHSA-N 444.871 3.929 0 40 IHAB CCN1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)CC1 409409577 IFJDHDZCVKNKTP-UHFFFAOYSA-N 435.977 3.535 0 40 IHAB Cc1cc(C)n([C@@H](CNS(=O)(=O)c2ccccc2Br)c2ccsc2)n1 575613682 KCOYQKWWRJPNOP-INIZCTEOSA-N 440.388 3.892 0 40 IHAB O=C(NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N2CCOCC2)CC1)Nc1cccc(F)c1 585261670 QASGMWWSLGJZAV-VDKIKQQVSA-N 441.547 3.521 0 40 IHAB Cc1ccccc1OCC(=O)N1CCOCCOc2ccccc2Oc2ncccc2C1 643574013 XCGZDPPQQGCMDZ-UHFFFAOYSA-N 434.492 3.999 0 40 IHAB Cc1nc(C(=O)N2CCC(COc3ccc4nc(C(C)(C)C)cn4n3)CC2)ccc1F 1888890643 FRPVRBQLYWGCNQ-UHFFFAOYSA-N 425.508 3.801 0 40 IHAB Cc1ccc2cc(CN(Cc3cccnc3)C(=S)NC[C@@H]3CCCO3)c(=O)[nH]c2c1C 931868 CAPMUHLPUHPQKZ-NRFANRHFSA-N 436.581 3.596 0 40 IHAB O=C(CSc1nnc(CSc2ncccn2)n1C1CCCCC1)N1CCCCC1 1325572 LFGHIUACWRDSEA-UHFFFAOYSA-N 432.619 3.970 0 40 IHAB CCOCCCNC(=O)c1c(N)n(-c2ccc(C(C)=O)cc2)c2nc3ccccc3nc12 2372522 KYJBVEQXLMTGFL-UHFFFAOYSA-N 431.496 3.515 0 40 IHAB O=C(CSc1nc2sc3c(c2c(=O)n1C1CCCC1)CCCC3)NC[C@@H]1CCCO1 3367698 JFDKXSTUOJUVIY-HNNXBMFYSA-N 447.626 3.839 0 40 IHAB COc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nnc(C)s2)cc1OC 3643664 WJYJOLSNDUGWKA-SFHVURJKSA-N 435.461 3.720 0 40 IHAB O=C(CNc1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CCCc2ccccc21 7978427 PQXNLVGFJCKKSG-UHFFFAOYSA-N 427.570 3.643 0 40 IHAB O=C(Nc1cccc(F)c1)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 8661540 KJIMBULJZUJOJV-NSHDSACASA-N 447.351 3.689 0 40 IHAB O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)NC[C@H]1COc2ccccc2O1 8966023 YFPVCAXMOSIUHS-KRWDZBQOSA-N 448.504 3.576 0 40 IHAB CCc1ccc(-c2noc(CSc3nc4cc(S(N)(=O)=O)ccc4n3CC)n2)cc1 9200096 VQXFSIVRUPIWKX-UHFFFAOYSA-N 443.554 3.608 0 40 IHAB C[C@@H](Sc1nnc(COc2ccc(Cl)cc2)n1C)C(=O)Nc1ccc2c(c1)OCO2 9303797 FGBVSMHDGOWOSZ-GFCCVEGCSA-N 446.916 3.896 0 40 IHAB O=C(COc1ccc(Cl)cc1)N(Cc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 9456078 RVPPLRYGHZCLEX-QGZVFWFLSA-N 428.337 3.588 0 40 IHAB CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)Nc2c(C)cc(C)cc2Cl)C1=O 9465951 ARPKNJRKFMPEMM-QFIPXVFZSA-N 429.904 3.761 0 40 IHAB Cc1ccccc1-n1c(SCC(=O)NC[C@@H]2CCCO2)nc2c([nH]c3ccccc32)c1=O 9518293 JVCGSINXALATAH-INIZCTEOSA-N 448.548 3.563 0 40 IHAB Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3cc4ccccc4o3)C2=O)c(C)n1C[C@H]1CCCO1 9548461 LDBRWNBMPZAOKG-CJAUYULYSA-N 449.507 3.680 0 40 IHAB O=C(CCCN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(-c2cn3ccsc3n2)cc1 9549737 UMPQJHRRFUPIFO-UHFFFAOYSA-N 437.525 3.646 0 40 IHAB CCOC(=O)c1oc2ccccc2c1COC(=O)CS[C@H](C)C(=O)Nc1cc(C)on1 9590788 QWIHLGHVULYQQW-CYBMUJFWSA-N 446.481 3.710 0 40 IHAB O=C(Cc1ccc(N2CCCC2=O)cc1)Nc1cccc(-c2nnc3n2CCCCC3)c1 9815996 ISQCYJGCAKUIMG-UHFFFAOYSA-N 429.524 3.980 0 40 IHAB COc1cccc(-c2ccc3nnc(SCC(=O)Nc4ccc(F)c(F)c4)n3n2)c1 9829146 RMIDVVFOTNWLBU-UHFFFAOYSA-N 427.436 3.809 0 40 IHAB O=C(CSc1nnc2ccc(-c3ccccn3)nn12)Nc1ccc(C(F)(F)F)cc1 9829169 WXZQLJXNWRTNHI-UHFFFAOYSA-N 430.415 3.936 0 40 IHAB Cc1nnc2ccc(-c3ccc(NS(=O)(=O)c4cccc(C(F)(F)F)c4)cc3)nn12 9829207 ASUVADZFUSDZGP-UHFFFAOYSA-N 433.415 3.919 0 40 IHAB CCOc1cccc(NC(=O)CN(c2ccc(Br)c(C)c2)S(C)(=O)=O)c1 10294676 NVVJCGTXRYFMIK-UHFFFAOYSA-N 441.347 3.561 0 40 IHAB Cc1ccccc1[C@H](C)NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 11224561 MPVBSQJIGDIDRI-AWEZNQCLSA-N 432.450 3.545 0 40 IHAB O=C(CSc1ccc(Br)cc1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 11341049 ZOJXFYHSGLEHJP-MRXNPFEDSA-N 440.384 3.762 0 40 IHAB Cc1nc(OC(C)C)cc(N2CCN(S(=O)(=O)c3cc(C(C)C)ccc3C)CC2)n1 11613245 SDOGMEBWDLAKJC-UHFFFAOYSA-N 432.590 3.515 0 40 IHAB Cc1cc(OCC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c2c3c(c(=O)oc2c1)CCCC3 11866951 SCAYQZCNHCNDIC-NSYGIPOTSA-N 425.525 3.513 0 40 IHAB biogenic COc1ccccc1NC(=O)Cn1cnc2c(oc3nc(CC(C)C)c4c(c32)CCC4)c1=O 12324711 YBPRSAZRXIFBIA-UHFFFAOYSA-N 446.507 3.872 0 40 IHAB O=C(CCc1nc(-c2ccccc2)no1)N1CCN(Cc2nc3ccccc3s2)CC1 12685978 WLAKCUUOZNUZIA-UHFFFAOYSA-N 433.537 3.623 0 40 IHAB CC(=O)Nc1ccc(-c2csc(NC(=O)CCNC(=O)c3ccc(F)cc3F)n2)cc1 12754412 VCUZBZCYUOTRSJ-UHFFFAOYSA-N 444.463 3.805 0 40 IHAB COc1ccc(CNS(=O)(=O)c2cc(Br)ccc2Br)cc1 12817438 LDFOFDJIRRUCKM-UHFFFAOYSA-N 435.137 3.699 0 40 IHAB CC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 12985488 AHRFZVPLJVDVNL-LLVKDONJSA-N 426.888 3.674 0 40 IHAB COc1ccc2cc(CN3C(=O)N[C@@](C)(c4ccc5c(c4)OCO5)C3=O)c(Cl)nc2c1 13108389 BJABBPOTMHNAJK-QFIPXVFZSA-N 439.855 3.593 0 40 IHAB COc1cc(OC)cc(C(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3OC)c2)c1 13137191 MFJADUMQEVAHOI-UHFFFAOYSA-N 442.493 3.766 0 40 IHAB COc1cc(OC)c([C@H]2CC(=O)N(c3ccc(Cl)cc3)C3=C2C(=O)OC3)cc1OC 13567578 UKASSBYFHHQGRP-OAHLLOKOSA-N 429.856 3.697 0 40 IHAB O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)Nc1ccc2c(c1)OCO2 13655692 HGBKJDPVASXOLU-UHFFFAOYSA-N 431.400 3.912 0 40 IHAB biogenic CC[C@@H](C(=O)Nc1ccc(Br)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 13715215 UUSUAVKKLVYSMH-INIZCTEOSA-N 429.311 3.772 0 40 IHAB O=C(NCc1cc(Cl)c2c(c1)OCCCO2)C1CCN(C(=O)c2cccs2)CC1 14161402 IJMRANXQWQNDAG-UHFFFAOYSA-N 434.945 3.731 0 40 IHAB CCCNc1nc(-c2cc(C)n(NC(=O)c3nn(C)c(=O)c4ccccc34)c2C)cs1 14229619 NSDJXVYQCUPETO-UHFFFAOYSA-N 436.541 3.681 0 40 IHAB CCNC(=O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2C)C3=O)c1 14572940 URVWIMYGZPVLOM-UHFFFAOYSA-N 427.460 3.798 0 40 IHAB O=C1[C@H]2OC[C@H](O2)[C@H]2[C@@H]1[C@H]1C=Cc3ccccc3N1[C@H]2C(=O)C12CC3CC(CC(C3)C1)C2 14920153 XXTVWAHGGFLWMY-XNPYXAHPSA-N 431.532 3.613 0 40 IHAB CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1cc(Cl)c2c(c1)OCCO2 14937665 JKUQNLWUXLOPAR-UHFFFAOYSA-N 434.279 3.663 0 40 IHAB O=C(CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1)NCc1ccccc1Cl 15523909 KTCVKFFTSTZZOZ-UHFFFAOYSA-N 426.870 3.582 0 40 IHAB CCCc1nn2c(=O)cc(COC(=O)c3ccc(NC(=O)c4ccccc4)cc3)nc2s1 15772368 UUCAJHRAFAGQBI-UHFFFAOYSA-N 448.504 3.713 0 40 IHAB CC(C)(C)c1nn2c(SCC(=O)Nc3cc(Cl)cc(Cl)c3)nnc2nc1O 15882091 OZTHMIKLUQNTCW-UHFFFAOYSA-N 427.317 3.560 0 40 IHAB COc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2ccccc2F)ccc1F 15976829 VHFJWTMSEVVSJC-UHFFFAOYSA-N 432.448 3.704 0 40 IHAB O=C(c1ccccc1)[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]2[C@@H]2C=CC=NN21 16038483 MQVFBDCJGMQHFK-CADBVGFASA-N 440.286 3.590 0 40 IHAB COc1ccc(N(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)S(=O)(=O)c2ccccc2)cc1Cl 16226863 CBSNBPLOBXMTNW-RZQQEMMASA-N 448.972 3.849 0 40 IHAB Cc1nc(C)c(C(=O)N[C@H](Cc2cc(=O)[nH]c(-c3cccnc3)n2)c2ccccc2)s1 19560235 VIAMUGZSYRXMNE-LJQANCHMSA-N 431.521 3.619 0 40 IHAB COc1cccc(-c2cccc(C[C@H]3CN(C(=O)Cc4ccc(F)cc4)CCNC3=O)c2)c1 19566670 DTDYUUFDAABHAN-QHCPKHFHSA-N 446.522 3.861 0 40 IHAB CCn1ccc(C(=O)N2CCCC[C@@H]2c2ncc(C(=O)Nc3ccc(F)cc3)c(C)n2)n1 19765040 LMRCIPDCTXXFRS-HXUWFJFHSA-N 436.491 3.760 0 40 IHAB COc1cccc(C(=O)N2CC[C@@H](c3ncc(C(=O)Nc4ccccc4OC)c(C)n3)C2)c1 19766090 IBKQFIKXEDZAKX-GOSISDBHSA-N 446.507 3.684 0 40 IHAB COc1ccccc1C(=O)Oc1ccc([C@H](c2c(O)n[nH]c2C)c2c(C)n[nH]c2O)cc1 19832191 NMRHRMJLGGSDRW-UHFFFAOYSA-N 434.452 3.569 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CSc1ccc(Cl)cc1 20492044 NHZCCDKYDYHMNR-UHFFFAOYSA-N 440.974 3.864 0 40 IHAB Cc1noc(C)c1CSc1ncccc1C(=O)NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1 21065456 JGCBJRFGIICEPZ-HUUCEWRRSA-N 432.590 3.596 0 40 IHAB O=C(CCC(=O)N1CCC(c2ccccc2)=N1)OCc1nc(-c2ccc(Cl)cc2)no1 22048092 RPKPKHKQZOGLKA-UHFFFAOYSA-N 438.871 3.850 0 40 IHAB Cc1ccccc1OC[C@@H](C)NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 22279366 BSLWQZJLEDINSQ-HXUWFJFHSA-N 438.549 3.774 0 40 IHAB COc1cccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)c(C)c2)c1 22380824 HMYBDDCYPFKUGO-UHFFFAOYSA-N 440.521 3.846 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1 22526841 SRMCUZJLIYLNAS-CQSZACIVSA-N 438.933 3.539 0 40 IHAB Cc1ccc(-c2noc(CN3N=N[C@H]4C(=O)N(c5ccc(C)c(Cl)c5)C(=O)[C@H]43)n2)cc1 23126337 PWJQVMSCNJHKFP-MSOLQXFVSA-N 436.859 3.500 0 40 IHAB CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)C[C@H](NC(N)=O)c1ccc(Cl)cc1 30314188 GNEOBQBXYOTUIR-INIZCTEOSA-N 429.826 3.997 0 40 IHAB O=C(NC(=S)NC1C2CC3CC(C2)CC1C3)c1cccc(I)c1 32119103 BAAGENCBKRAOCD-UHFFFAOYSA-N 440.350 3.720 0 40 IHAB COc1ccc(NC(=O)[C@@H](OC(=O)[C@H]2CCCN2C(=O)c2ccco2)c2ccccc2)cc1 32837655 HJIZMJIHDDASHE-IRLDBZIGSA-N 448.475 3.816 0 40 IHAB CN1CCN(c2ccccc2NC(=O)Cc2csc3nc(-c4ccccc4)cn23)CC1 32843375 XLQNTFJTLGGJHQ-UHFFFAOYSA-N 431.565 3.996 0 40 IHAB COc1ccc(CN2Cc3ccccc3C[C@@H]2C(=O)NCCCOC(C)C)cc1OC 34794546 FJRPKJUHQZYZME-JOCHJYFZSA-N 426.557 3.562 0 40 IHAB CCc1ccc2c(c1)c1nnc(SCC(=O)Nc3cc(OC)ccc3OC)nc1n2C 35312641 IXTJGFALRNEGSN-UHFFFAOYSA-N 437.525 3.827 0 40 IHAB CCOc1cc2c(cc1CNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccco1)O[C@H](C)C2 39981627 LDSIEGNOAQVYSO-DYESRHJHSA-N 448.519 3.659 0 40 IHAB COc1cc(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)ccc1OCc1cscn1 40069425 YIXSSUHZRORKNA-UHFFFAOYSA-N 448.508 3.971 0 40 IHAB COc1ccc2[nH]cc(CCn3ccc4c(nnc5c(-c6ccccc6)cnn54)c3=O)c2c1 40388245 MYOYVWROWXOJQX-UHFFFAOYSA-N 436.475 3.839 0 40 IHAB CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)C(=O)N(Cc1cccc3ccccc13)c1ccccc12 49947108 LYEWQQOIDSVJGM-DEOSSOPVSA-N 444.516 3.542 0 40 IHAB COc1ccc(CCCNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1 59851982 SBCHTSQHHRBISF-UHFFFAOYSA-N 430.570 3.541 0 40 IHAB COC(=O)c1ccc(Cl)c(NC(=O)COc2ccc(I)cc2)c1 60385465 GJPNFQGRHAIQGL-UHFFFAOYSA-N 445.640 3.749 0 40 IHAB COc1ccc(NC(=O)Cn2nnc(C(=O)Nc3cc(C)ccc3C)c2C)cc1Cl 71327223 MXMDYBKYSGSBLI-UHFFFAOYSA-N 427.892 3.756 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC3(CC2)C[C@@H]3c2nnc3n2CCCCC3)cc1Cl 71890432 IJHJBGSFJVVFCD-QGZVFWFLSA-N 434.993 3.925 0 40 IHAB CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1cccc(C(=O)O)c1 72191517 HQLKZYOEDUOGNC-UHFFFAOYSA-N 440.525 3.923 0 40 IHAB CCCC(=O)N1CCC(c2cc3nc4c(c(O)n3n2)CN(C2CCCCC2)CC4)CC1 72330523 PFSALUNBYPDAGD-UHFFFAOYSA-N 425.577 3.632 0 40 IHAB Cc1nc([C@H]2CCCN(C(=O)COc3ccccc3)C2)ncc1C(=O)Nc1ccccc1F 72345540 JLJOGPAUUQZZTA-SFHVURJKSA-N 448.498 3.961 0 40 IHAB COc1ccc(NC(=O)CN2CCC[C@H](c3nc(N)ncc3-c3cccc(F)c3)C2)cc1 72345932 RYMGBNGRHIJSQC-KRWDZBQOSA-N 435.503 3.692 0 40 IHAB Cc1nc([C@H]2CCCN2C(=O)c2cnccn2)nc2c1CCCN2Cc1ccc(F)cc1 72373771 QLOXTHNDSMHXHT-OAQYLSRUSA-N 432.503 3.644 0 40 IHAB Cc1nc([C@H]2CCCN2C(=O)c2ccncc2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 72378150 JYBXYPCVCKSKFD-OAQYLSRUSA-N 445.498 3.776 0 40 IHAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)CCC(=O)Nc1nnc(C(C)C)s1 95426895 IRAIEGFTUPDLTE-LBPRGKRZSA-N 438.937 3.912 0 40 IHAB O=C(O)C[C@H](NC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(Cl)c(F)c1 95464056 OOECYMGIBKQSPK-HNNXBMFYSA-N 446.784 3.560 0 40 IHAB CCOC[C@]1(CN)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Br)cc1 218229293 BQPFAFUNMDBNGR-UFYCRDLUSA-N 438.387 3.679 0 40 IHAB COCCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(Br)cc1 219679949 QPKBSWREBOMZJZ-AWEZNQCLSA-N 435.318 3.621 0 40 IHAB CCOc1ccccc1CCCNC(=O)[C@H](CC)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220577394 LKTBZGBWLSVNFK-QFIPXVFZSA-N 446.613 3.996 0 40 IHAB CC[C@H](NC(=O)[C@@H](CC)N(c1cccc(OC)c1)S(C)(=O)=O)c1ccc(OC)cc1 220632172 VOXREMJEYDARDF-LEWJYISDSA-N 434.558 3.516 0 40 IHAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN1C(=O)c2cccc3cccc1c23 222561101 NZGPLOBNATZGNH-HNNXBMFYSA-N 435.911 3.617 0 40 IHAB Cc1cccc(N(CCCC(=O)NCCSCc2ccccc2)S(C)(=O)=O)c1C 222628870 CXFVUAIBSXXWNH-UHFFFAOYSA-N 434.627 3.899 0 40 IHAB CC[C@H](C(=O)NCCOc1cccc2ccccc12)N(c1ccccc1)S(C)(=O)=O 223545089 ZSQJIKWEYMXAFF-OAQYLSRUSA-N 426.538 3.580 0 40 IHAB COc1ccc(CN(C(=O)COc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCC2)cc1 224074499 XVUYABJFZRTJGA-KRWDZBQOSA-N 428.504 3.689 0 40 IHAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1cc(OC)cc(OC)c1 225079323 INZCHRFVERUWJK-RBUKOAKNSA-N 442.556 3.723 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)N[C@@H](C)c1ccc(F)cc1 225357933 UULJIDCTHFGHPU-KRWDZBQOSA-N 448.560 3.819 0 40 IHAB CS(=O)(=O)c1cn[nH]c1[C@H]1CCCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)C1 257317539 VKECXJWNYWFSFR-HNNXBMFYSA-N 435.977 3.685 0 40 IHAB Cc1nc([C@@H]2CCCN(C(=O)CC(C)C)C2)nc(C)c1CC(=O)NCc1ccc(F)cc1 257318946 VQAQIZUVOXMVDY-HXUWFJFHSA-N 440.563 3.844 0 40 IHAB COc1ccc(OC)c(N([C@@H](C)C(=O)N[C@H](CC(C)C)c2ccccc2)S(C)(=O)=O)c1 260591946 NYMKIBNBZCERSC-FXAWDEMLSA-N 448.585 3.762 0 40 IHAB CC(C)n1c(=O)sc2cc(S(=O)(=O)NCCCN3c4ccccc4C[C@H]3C)ccc21 260802991 VKRFQJZQONNYSE-MRXNPFEDSA-N 445.610 3.764 0 40 IHAB O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl)N1CCc2ccccc2C1 408593700 NVFHNWWGAXJPGL-UHFFFAOYSA-N 448.972 3.525 0 40 IHAB CS(=O)(=O)N(CC(=O)Nc1ccc(Br)cc1F)c1ccc(Cl)cc1 409264096 JSBMZEQBUZMUOV-UHFFFAOYSA-N 435.702 3.646 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N(C)Cc1ccccc1)c1ccccc1 409390659 UWDOHSNPMHLSQK-UHFFFAOYSA-N 438.549 3.858 0 40 IHAB O=S(=O)(c1cccc2ccccc12)N1CCC[C@H](Oc2ncc(Br)cn2)C1 575612543 LFXMEJNWNFYRMX-INIZCTEOSA-N 448.342 3.624 0 40 IHAB COc1ccc(-c2ccc3c([C@@H]4CN(C(=O)c5ccnc(F)c5)CCO4)ncn3c2)cc1 585113154 PSESIDZIKKKZTE-NRFANRHFSA-N 432.455 3.758 0 40 IHAB COc1ccc(CCNC(=O)[C@@H]2CN(C)C[C@H]2c2cccc(CNC3CCCC3)c2)cc1 585262566 SYYHQKQUDAAKHR-IZZNHLLZSA-N 435.612 3.732 0 40 IHAB Cc1nc(Nc2nc(C)c(C)s2)cc([C@H]2CCCN(C(=O)/C=C/c3cnn(C)c3)C2)n1 585291471 QGIIBQNZBPOCRV-DVBCCOPCSA-N 437.573 3.755 0 40 IHAB CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)N1CC(C)(C)[C@@H]1c1ccccc1 619294823 VJWDMTZZQGDXIJ-NRFANRHFSA-N 429.586 3.807 0 40 IHAB COC(=O)[C@@](NC(=O)Nc1nc2ccccc2s1)(Oc1ccccc1)C(F)(F)F 2262217 LAQMMBVEQNCROF-QGZVFWFLSA-N 425.388 3.928 0 40 IHAB CC(=O)OCC(=O)[C@@]1(OC(C)=O)CC[C@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@@]21C 4027456 BNPNBAWUHPQBIR-NZOQOVMFSA-N 426.509 3.649 0 40 IHAB biogenic Cc1ccc(C)c(C(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@H]4C3=O)c2)c1 8449739 PWPNNPPIWDGXOK-XFDIAKHOSA-N 431.488 3.879 0 40 IHAB CCOc1ccc([C@H]2Nn3c(CC)nnc3S[C@H]2C(=O)Nc2ccccc2OC)cc1 9197814 SVAGAMPOVJOGDS-WOJBJXKFSA-N 439.541 3.646 0 40 IHAB CCOc1ccc(NC(=O)[C@H]2Sc3nnc(C)n3N[C@@H]2c2ccc(OCC)cc2)cc1 9238923 PTWQQJZRDHQBRP-UXHICEINSA-N 439.541 3.782 0 40 IHAB COc1ccc(C)cc1NC(=O)[C@@H](Sc1nnnn1C[C@@H]1CCCO1)c1ccccc1 9255342 HTCIESNKNOWRAU-PXNSSMCTSA-N 439.541 3.641 0 40 IHAB CCn1c(SCC(=O)NC23CC4CC(CC(C4)C2)C3)nnc1-c1ccc2c(c1)OCO2 9289996 LHQBVEVHKROYQG-UHFFFAOYSA-N 440.569 3.871 0 40 IHAB COc1ccc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2C)cc1OC 9291998 FWZAVTNAKIPUEE-KRWDZBQOSA-N 430.254 3.748 0 40 IHAB O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)Nc1ccc(N2CCCCCC2)cc1 9470894 PKVCKLBBDGUWQO-UHFFFAOYSA-N 434.540 3.562 0 40 IHAB Cc1ccc(-n2c(SCC(=O)N3CCN(c4ncccn4)CC3)nc3ccccc32)cc1 9512658 OEWXRCHGGWAXBB-UHFFFAOYSA-N 444.564 3.565 0 40 IHAB C[C@H](CCc1ccccc1)NC(=O)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12 9518859 MHSBLARDGGPHOP-LJQANCHMSA-N 431.536 3.584 0 40 IHAB CCCCn1c(SCC(=O)Nc2cc(C)ccc2C)nc2cc(S(N)(=O)=O)ccc21 9545857 XGXSWRWYJLYREZ-UHFFFAOYSA-N 446.598 3.831 0 40 IHAB Cc1ccc(C)c(NC(=O)C(=O)NCCc2csc3nc(-c4ccc(F)cc4)nn23)c1 9569011 XEUOGVQFMTUHQJ-UHFFFAOYSA-N 437.500 3.511 0 40 IHAB Cc1noc(C)c1COC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 9634643 RQWSTXGGROYPPO-UHFFFAOYSA-N 447.340 3.742 0 40 IHAB COc1ccc(Cl)cc1NC(=O)CSc1nnc2n1CCN2c1ccc(F)cc1 9651506 DDXMSJULONFPMU-UHFFFAOYSA-N 433.896 3.962 0 40 IHAB CCn1c(S[C@@H](C)C(=O)c2ccc3c(c2)CCC3)nc2cc(S(N)(=O)=O)ccc21 9669986 DUWSVSLEIMWRLI-ZDUSSCGKSA-N 429.567 3.556 0 40 IHAB CC(=O)c1ccccc1NC(=O)COC(=O)CCCOc1cccc(Br)c1 9744973 LJRKHVQXTWAKIV-UHFFFAOYSA-N 434.286 3.993 0 40 IHAB CC(=O)Nc1cccc(C(=O)OCC(=O)Nc2ccc(Br)cc2Cl)c1 11438437 FTVLBEODXTWIOP-UHFFFAOYSA-N 425.666 3.856 0 40 IHAB COc1cc(N)c(Cl)cc1C(=O)OCC(=O)Nc1c(C)nn(-c2ccccc2)c1C 11458774 KDJJOTPIRVEDCF-UHFFFAOYSA-N 428.876 3.529 0 40 IHAB O=C(CN1CCC[C@@H](c2ccccc2)C1)N1CCC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 12235929 FTKXUNYPFAPCJE-DHIUTWEWSA-N 448.611 3.555 0 40 IHAB CCCn1c(SCc2noc(-c3ccc(C)cc3)n2)nc2cc(S(N)(=O)=O)ccc21 12629793 YRKKKEJJBTXCFV-UHFFFAOYSA-N 443.554 3.744 0 40 IHAB Cc1ccc([C@@H](C(=O)NC(C)(C)C)N(Cc2ccc(F)cc2)C(=O)c2csnn2)o1 12638129 PMVKRBNEAKIBFD-SFHVURJKSA-N 430.505 3.877 0 40 IHAB COc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3ccc(Cl)c(C)c3)n2)cc1OC 12654674 ODRCCJZOAOIKFO-CYBMUJFWSA-N 431.876 3.799 0 40 IHAB O=S1(=O)CC[C@H](N(Cc2ccccc2)Cn2nc(-c3ccccc3F)oc2=S)C1 12889593 JQWMPCOFEKRBTE-INIZCTEOSA-N 433.530 3.658 0 40 IHAB Cc1cc(C)c(NC(=O)CNC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)c(C)c1 12995837 PBFOWQMLBZCKOU-QGZVFWFLSA-N 431.945 3.823 0 40 IHAB C[C@H](CCc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 12999564 MAPLJAVQSGZWLB-QGZVFWFLSA-N 434.989 3.878 0 40 IHAB CC1(C)Cc2c(sc(NC(=O)N3CCN(Cc4ccccc4)CC3)c2C(=O)O)CO1 13608256 NQSICJYBEGFVSH-UHFFFAOYSA-N 429.542 3.647 0 40 IHAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCCCC3)NCCc1ccc(Cl)cc1 13729113 CGUVIWWBTPBTBL-UHFFFAOYSA-N 425.916 3.514 0 40 IHAB CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1nc(-c2ccccc2)cs1 14231257 MDLPSDQQUMCFPD-SFHVURJKSA-N 433.530 3.891 0 40 IHAB C[C@H]1C[C@@H](C)CN(c2nnc(SCC(=O)c3ccc(O)cc3O)n2Cc2ccco2)C1 14596053 ZHJYMKWQVDQBHK-GASCZTMLSA-N 442.541 3.788 0 40 IHAB COc1ccc([C@H]2C(=O)N(c3ccc(OC)cc3OC)CC(=O)N2c2ccccc2)cc1 15412894 YMNPAZODANDZFH-DEOSSOPVSA-N 432.476 3.834 0 40 IHAB CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(N2C[C@@H](C)C[C@H](C)C2)s1 15943694 OVBCCBRTWGXTLH-GJZGRUSLSA-N 442.628 3.560 0 40 IHAB COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)ccc1O 18182987 QVKLBFGOEMTFQC-VABKMULXSA-N 430.460 3.760 0 40 IHAB Cc1ccc(-c2ccc(C[C@@]3(C(N)=O)CCCN(C(=O)c4snnc4C)C3)cc2)cc1 19212408 QNHJYKUOUMBQOG-DEOSSOPVSA-N 434.565 3.772 0 40 IHAB Cc1cc(C(=O)[C@H]([C@H](c2ccccc2)N2CCOCC2)N2CCOCC2)ccc1Cl 19366135 ZIMMQXHOWGZONK-GOTSBHOMSA-N 428.960 3.605 0 40 IHAB Cc1cc2oc(=O)cc(COC(=O)Cc3csc(N4CCCC4=O)n3)c2cc1Cl 19476476 OZHVOYAZLLJIBN-UHFFFAOYSA-N 432.885 3.624 0 40 IHAB COc1cc(CN2CCNC(=O)[C@H](Cc3ccccc3-c3cccnc3)C2)cc(OC)c1 19595123 HSMCCKQPSAORBE-JOCHJYFZSA-N 431.536 3.557 0 40 IHAB COc1cc(CN2CC[C@@H](c3nc(N(C)C)ncc3-c3cncnc3)C2)ccc1OC(C)C 19695016 NGKVSDKOFRURJB-LJQANCHMSA-N 448.571 3.785 0 40 IHAB CCN(CC)C(=O)CN1CC[C@H](c2cc(C(=O)Nc3nccs3)c3ccccc3n2)C1 19760943 CTSYUYCHWXWPMJ-INIZCTEOSA-N 437.569 3.601 0 40 IHAB COc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3N2C(=O)c2ccccc2C)cc1 19799395 PMOJWTLYWWVPKN-JOCHJYFZSA-N 429.476 4.000 0 40 IHAB CS(=O)(=O)N(CC(=O)NCCSCc1ccccc1Cl)c1cccc(Cl)c1 20236900 YSEJSQHCFLJZBD-UHFFFAOYSA-N 447.409 3.809 0 40 IHAB CCOc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3c(CC)cccc3CC)CC2=O)cc1 21094459 WNBSVAWJJYUECR-LJQANCHMSA-N 438.524 3.745 0 40 IHAB CSc1ncc(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)n1-c1ccc(F)cc1 22144071 HBKOFZGMUUQNIO-UHFFFAOYSA-N 435.488 3.974 0 40 IHAB CCOc1ccc2nc(N(CCN3CCOCC3)C(=O)Cc3ccccc3)sc2c1 22998477 XHXUVFVWXBUKOP-UHFFFAOYSA-N 425.554 3.603 0 40 IHAB O=S(=O)(Nc1ccccc1-c1nnc2n1CCCCC2)c1ccc2c(c1)OCCCO2 23371006 JICBJQLPPFLJOH-UHFFFAOYSA-N 440.525 3.634 0 40 IHAB COc1cc(C(C)=O)ccc1OC[C@@H](O)CSc1nnc2cc(C)c3ccccc3n12 24094482 BUQAVIYEEWFPBC-QGZVFWFLSA-N 437.521 3.934 0 40 IHAB Cc1c(C(=O)N2CCC[C@@H]2c2nnc3ccccn23)sc2nc3n(c(=O)c12)CCCCC3 31505665 RSGWPGOBKOUKGP-OAHLLOKOSA-N 448.552 3.513 0 40 IHAB O=C(COc1ccccc1)N1N=C(c2cccc(Br)c2)C[C@]1(O)C(F)(F)F 32101442 SVQPWGKKQLBJHZ-KRWDZBQOSA-N 443.219 3.715 0 40 IHAB CC(=O)c1cccc(N2C(SCc3ccc(C)c(C)c3)=N[C@@H]3CS(=O)(=O)C[C@@H]32)c1 32641104 XYFCYCZBFKYJAL-RTWAWAEBSA-N 428.579 3.781 0 40 IHAB O=C(Nc1nc(-c2cc(F)ccc2F)cs1)c1cccc(S(=O)(=O)NC2CC2)c1 32674950 WEYPBSXRLKBXHY-UHFFFAOYSA-N 435.477 3.781 0 40 IHAB O=c1c2c3c(sc2nc(CN2CCCC2)n1C[C@H](O)c1ccccc1F)CCCC3 32810114 QKJMTAHEBDKDDO-SFHVURJKSA-N 427.545 3.805 0 40 IHAB COc1ccccc1NC(=O)CSc1nnc(NC(=O)c2ccc(F)cc2F)s1 35316127 AZRWMUVRSJWYDE-UHFFFAOYSA-N 436.465 3.808 0 40 IHAB CON(C)S(=O)(=O)c1cccc(C(=O)Nc2nc3c(ccc4ccccc43)s2)c1 39517095 UZISRCGNGCKTDI-UHFFFAOYSA-N 427.507 3.884 0 40 IHAB CCS(=O)(=O)N(C)CCCNC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 40094793 LFTGUFQMWOECQB-UHFFFAOYSA-N 428.476 3.774 0 40 IHAB Cc1cc(SCC(=O)Nc2cccc(S(N)(=O)=O)c2C)c(C)cc1Br 40155312 ZUFDLJKBMGWNPU-UHFFFAOYSA-N 443.388 3.753 0 40 IHAB CC(C)n1cnc2nc(COc3ccccc3NC(=O)c3cccc(Cl)c3)cc(=O)n21 41077150 REQULUALXVVRKZ-UHFFFAOYSA-N 437.887 3.957 0 40 IHAB Cc1ccc2nc(CSc3nnc(NC(=O)Nc4ccc(F)cc4)s3)cc(=O)n2c1 41086274 FDDSJBFBBZYTQT-UHFFFAOYSA-N 442.501 3.930 0 40 IHAB Cc1cc(NC(=O)C2CCN(c3nc4ncnc(O)c4s3)CC2)ccc1Br 48987452 ZMWVSAMQKBNURF-UHFFFAOYSA-N 448.346 3.718 0 40 IHAB CCC1CCC(N(C)CC(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)CC1 58009020 ATSPFENKSBUWCF-UHFFFAOYSA-N 447.645 3.651 0 40 IHAB Cc1noc(C)c1COc1ccccc1C(=O)NCc1cccc(CN2CCOCC2)c1 59332383 ZLCMVCXXCTVBMP-UHFFFAOYSA-N 435.524 3.633 0 40 IHAB CCc1ccc([C@H](C)NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1 63459447 YAILIUQUPXQZSU-AWEZNQCLSA-N 439.375 3.655 0 40 IHAB Ic1cccc(-c2nn3c(CN4CCCCCC4)nnc3s2)c1 71260587 JDWABETXSITHSN-UHFFFAOYSA-N 439.326 3.833 0 40 IHAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 71844356 UHYJRFLURFRWGM-PKTZIBPZSA-N 442.581 3.506 0 40 IHAB O=C(O)[C@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1ccccc1C(F)(F)F 71980677 ATZVWYFUYGOVHJ-LJQANCHMSA-N 448.441 3.623 0 40 IHAB COCCOc1ccc(C(=O)N2CCNC(=O)[C@@H]2Cc2cccc(-c3ccccc3)c2)cc1 72351795 OARNGKAHVZYRAQ-VWLOTQADSA-N 444.531 3.562 0 40 IHAB O=C1CCc2cc(S(=O)(=O)N3CCc4nc(-c5cccc(F)c5)sc4C3)ccc2N1 72392018 MBZQDGGPNIMKNW-UHFFFAOYSA-N 443.525 3.581 0 40 IHAB CC(C)Cn1ccc2c(NC(=O)CCC(=O)N3CCN(c4ccccn4)CC3)cccc21 72404617 VKDNAEXQKYYAMB-UHFFFAOYSA-N 433.556 3.760 0 40 IHAB CC(=O)Nc1ccc(Br)c(C(=O)Nc2cc(NC(=O)C3CC3)ccc2C)n1 79044592 XIJKCONVLXNHMM-UHFFFAOYSA-N 431.290 3.712 0 40 IHAB CCOc1ccc(S(=O)(=O)NCc2ccc([C@@H](O)c3cccs3)s2)cc1F 90750054 JRBIFTRGNOUTQI-SFHVURJKSA-N 427.544 3.908 0 40 IHAB Cc1ccc(C2=NN(C(=O)CN[C@H](C[S@](C)=O)c3ccccc3)[C@H](c3ccco3)C2)cc1 95462649 SSAMRVVGGPHPRE-MEYXWREJSA-N 449.576 3.975 0 40 IHAB COc1ccc(-c2nc(C)c(C(=O)NC[C@H](O)Cc3ccc(F)cc3F)s2)cc1OC 95940347 FQDWRCSMAARDKS-MRXNPFEDSA-N 448.491 3.747 0 40 IHAB C[C@]12C=C[C@@](CNC(=O)OCc3ccccc3)(O1)C(Cl)(Cl)C(=O)C2(Cl)Cl 100351629 NIDKTDKFJVFEBV-CABCVRRESA-N 439.122 3.927 0 40 IHAB c1csc(-c2nc(NCc3ccncc3)ncc2-c2ccnc(N3CCOCC3)n2)c1 105869777 YWRVBDBMYSFROQ-UHFFFAOYSA-N 431.525 3.506 0 40 IHAB COC(=O)CN1C(=O)S/C(=C\c2cn(CCOc3ccccc3)c3ccccc23)C1=O 106753154 UAQYUKOWLGIDAJ-MOSHPQCFSA-N 436.489 3.930 0 40 IHAB CCOC(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(NC(C)=O)cc1 113871322 ZUAWLXPMWSXVLG-UHFFFAOYSA-N 445.324 3.710 0 40 IHAB C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1 220698073 UITSJYRIHLXKDY-GJZGRUSLSA-N 432.496 3.570 0 40 IHAB Cc1cccc(N([C@@H](C)C(=O)NCCOc2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c1 223651640 MUJNTNNNVFVPAF-SFHVURJKSA-N 432.586 3.642 0 40 IHAB CCC(=O)N1CCc2cc(S(=O)(=O)Nc3sc4c(c3C(=O)OC)CCCC4)ccc21 223681360 OICJZZVNTDGUDB-UHFFFAOYSA-N 448.566 3.513 0 40 IHAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(OC)cc1 224630959 NKODDBWUYIOQLQ-QHCPKHFHSA-N 426.557 3.962 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3ccc(C)c(C)c3)CC2)cc1 225500600 OIPIMNYKYYLTKK-SFHVURJKSA-N 430.570 3.590 0 40 IHAB CN(Cc1ccccc1F)C(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1 225996074 OCEWBEFFICYLCX-UHFFFAOYSA-N 426.513 3.675 0 40 IHAB Cc1nn(CC(=O)Nc2ccc(CC[C@H]3CCN(C)C[C@H]3C)cc2)c(=O)c2ccccc12 248145601 RULPXBDYRYYQOF-NQIIRXRSSA-N 432.568 3.864 0 40 IHAB C[C@H]1CCC[C@H](C)N1C(=O)c1c[nH]nc1C1CCN(C(=O)Cc2ccc(F)cc2)CC1 257208135 BKWZWPNRNKLGQZ-IRXDYDNUSA-N 426.536 3.901 0 40 IHAB Cc1cc(Nc2ccnc(C[C@@H]3COC4(CCN(C(=O)C5CCCCC5)CC4)C3)n2)[nH]n1 257249735 JJOPUBKTXGNUMT-SFHVURJKSA-N 438.576 3.772 0 40 IHAB O=C(O)[C@@H]1CCN(C(=O)c2cccc(OCCN3CCCC3)c2)[C@@H]1c1ccc(F)cc1 257249819 JJWZTRBLAXNYLJ-FGZHOGPDSA-N 426.488 3.588 0 40 IHAB CC(C)(C)c1ccc(OCC(=O)O)c(CN2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)c1 257260261 LCBGYFQBQXEOPX-DHLKQENFSA-N 427.541 3.852 0 40 IHAB Cc1c(C)n(C)c2ccc(C(=O)N3CCC[C@@H](CC(=O)NCC4CCOCC4)C3)cc12 257318348 VNNKLGLFTDHGTD-FQEVSTJZSA-N 425.573 3.580 0 40 IHAB CCOc1ccccc1N(CCCC(=O)N[C@H](C)c1ccccc1OC)S(C)(=O)=O 260746342 WENWNDVYZSBVPP-QGZVFWFLSA-N 434.558 3.518 0 40 IHAB CC[C@H](C(=O)N[C@H](C)c1ccc2c(c1)CCC2)N(c1ccc(OC)cc1)S(C)(=O)=O 260939078 QECPWXPGMUUCCO-OPAMFIHVSA-N 430.570 3.606 0 40 IHAB O=C1N(Cc2ccccc2)CCO[C@]12CN(Cc1ccc(F)cc1)C[C@@H]2c1cccnc1 306130348 JDBLHQKLMNNDSU-RSXGOPAZSA-N 431.511 3.618 0 40 IHAB COC(=O)N1Cc2nnc(-c3ccc(F)cc3)n2C2(CCN(Cc3ccsc3)CC2)C1 306135052 OGADCJLPPSEEQB-UHFFFAOYSA-N 441.532 3.719 0 40 IHAB COc1ccc(-n2nccc2-c2nc(C(=O)NCc3ccc(F)cc3)c3cnccn23)cc1 306139815 UBKYOFFDFPZKMB-UHFFFAOYSA-N 442.454 3.660 0 40 IHAB COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1NC(=O)c1ccccc1F 408552984 TXBFZSIWMHUAJO-UHFFFAOYSA-N 428.485 3.608 0 40 IHAB CCOc1cc(/C=C2/N=C(c3ccc4c(c3)OCO4)OC2=O)ccc1OC(=O)c1ccco1 409188617 HZKNQDKPURIURH-MHWRWJLKSA-N 447.399 3.971 0 40 IHAB O=C(CCCCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)Nc1ncc[nH]1 524729251 LIVQUTCQFPIRRS-OAQYLSRUSA-N 429.480 3.724 0 40 IHAB biogenic Cn1c(=O)c2sccc2n2c(CN(Cc3ccc4c(c3)OCO4)c3ccccc3)nnc12 533513089 KTLFKKGVDFRKMH-UHFFFAOYSA-N 445.504 3.578 0 40 IHAB C[C@@H]1CCc2[nH]c3ccc(C(=O)N4C[C@@H](C[C@@H]5COCC(=O)N5)c5ccccc54)cc3c2C1 564024231 PIAZTHRYDYKGFA-BHIYHBOVSA-N 443.547 3.942 0 40 IHAB O=C(c1ccc(OC2CCCC2)nc1)N1CC[C@@H](c2ccccc2F)S(=O)(=O)CC1 575414891 OYLPCSFVYCOKFA-FQEVSTJZSA-N 432.517 3.544 0 40 IHAB O=C(CC1(N2Cc3ccccc3C2=O)CCCCC1)NC1CCN(Cc2cccnc2)CC1 1548348890 VGJPBHAUUJNUIC-UHFFFAOYSA-N 446.595 3.911 0 40 IHAB Cc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)c3cccc(C)c3)n2)cc1 1372796 MABPHSOQUPQTEG-UHFFFAOYSA-N 426.480 3.848 0 40 IHAB Cc1c(CCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)O)c(=O)oc2c(C)c(O)ccc12 2155896 KWHODSGTNWCDHR-SFHVURJKSA-N 443.883 3.514 0 40 IHAB biogenic CC(C)(C)c1ccc(/C=c2\sc3nc(=O)c(Cc4ccccc4Cl)nn3c2=O)cc1 2261490 IFMSDBZYHQDMAH-UNOMPAQXSA-N 437.952 3.601 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)N(C(=O)c2cccnc2)c2ccc3oc(=O)sc3c2)c1 2493463 VVAAJLJOQVDCGD-UHFFFAOYSA-N 440.502 3.902 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)OCc2cc(=O)oc3cc(C)c(C)cc23)cc1 2643218 UBVJKBIVBUQKFA-UHFFFAOYSA-N 443.521 3.797 0 40 IHAB Cc1ccc(NC(=O)COC(=O)c2ccccc2NS(=O)(=O)c2cccs2)cc1C 2653461 OBIGBMDSRBKWRU-UHFFFAOYSA-N 444.534 3.961 0 40 IHAB CS(=O)(=O)c1ccc2c(c1)SC1=N[C@](c3ccccc3)(C(F)(F)F)N=C(O)N12 3189542 YGSGLUXHZHYNRX-MRXNPFEDSA-N 427.429 3.701 0 40 IHAB CC(C)NC(=O)NC(=O)CSc1nnc(-c2ccccc2Cl)n1Cc1ccccc1 3481161 UWBWOWWBIUBNLR-UHFFFAOYSA-N 443.960 3.973 0 40 IHAB CCCc1ccc(-c2cc(NC(=O)CSc3n[nH]c(N)n3)n(-c3ccccc3)n2)cc1 8686202 HOJULXCZAFDWQF-UHFFFAOYSA-N 433.541 3.923 0 40 IHAB CCOC(=O)[C@H](C(=O)NCc1cccc(OC)c1)c1ncc(C(F)(F)F)cc1Cl 8773038 CXDSUTPRHKIHHA-HNNXBMFYSA-N 430.810 3.726 0 40 IHAB O=C(CN1C(=O)S/C(=C/c2cccn2-c2cccc(C(=O)O)c2)C1=O)Nc1ccccc1 9262994 UCENZZDPUCPHOW-CPNJWEJPSA-N 447.472 3.851 0 40 IHAB O=C(NCc1ccccc1)c1ccccc1O[C@@H](C(=O)N1CCOCC1)c1ccccc1 9389414 JCNZFWBSSJVHOU-XMMPIXPASA-N 430.504 3.596 0 40 IHAB COCCCn1c(SCC(=O)c2[nH]c(C)c(C(C)=O)c2C)nc2ccccc2c1=O 9411874 KJPUTESLBLVDAT-UHFFFAOYSA-N 427.526 3.556 0 40 IHAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CSc1nc3ccccc3s1)n2CCC 9491200 XTGSJJKSHMLQQY-UHFFFAOYSA-N 429.571 3.998 0 40 IHAB C[C@H]1CN(c2ccc(Cl)cc2)c2nc3c(c(=O)n(CCc4ccccc4)c(=O)n3C)n2C1 9519079 XNXOWZKFFHLGHK-INIZCTEOSA-N 449.942 3.581 0 40 IHAB CNC(=O)c1cccc(NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)c1 9636927 YMNOMXXIRQFYNY-UHFFFAOYSA-N 446.536 3.852 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)c1cc(Br)ccc1O 9670454 OEMWGIKELVDTNQ-UHFFFAOYSA-N 444.285 3.753 0 40 IHAB CCOC(=O)c1c(NC(=O)CSc2nc3cc(C)ccc3[nH]2)sc(C(=O)NC)c1C 9714002 JWCYDXBXELXIRX-UHFFFAOYSA-N 446.554 3.508 0 40 IHAB Cc1ccc(-n2ccnc2SCC(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1C 9731537 OLASTHLFTVBUBI-UHFFFAOYSA-N 426.567 3.869 0 40 IHAB CCS(=O)(=O)c1ccc(-c2ccc(NC(=O)CSCc3ccccc3)cc2)nn1 9787077 KQBRAWMAFYEPGN-UHFFFAOYSA-N 427.551 3.809 0 40 IHAB CN(Cc1ccco1)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CCCC3)cc1 10220662 WRDRATGSQAWFMG-UHFFFAOYSA-N 431.539 3.688 0 40 IHAB CCc1c(C)sc2nc(S[C@@H](C)C(=O)NC(=O)NC)n(-c3cccc(C)c3)c(=O)c12 11521905 ZXPBFRLBXQXCTG-ZDUSSCGKSA-N 444.582 3.563 0 40 IHAB COc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 11655447 VNCMVGICLAIYIU-KRWDZBQOSA-N 432.542 3.666 0 40 IHAB CCC[C@@]1(C(=O)OCC)N[C@@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 12496700 OIKYCLFXMWKDDE-UGCAPWQASA-N 438.499 3.686 0 40 IHAB O=C(Cn1nnc(-c2ccccc2NC(=O)c2cccc(Cl)c2)n1)NC1CCCCC1 12638882 OFZATHVVIMVCNK-UHFFFAOYSA-N 438.919 3.695 0 40 IHAB Cc1n[nH]c(=O)c2c(NC(=O)CSc3nnc(-c4cccs4)n3C3CC3)oc(C)c12 12680915 KHSOOPQZKPHSEP-UHFFFAOYSA-N 442.526 3.519 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)c1 12787223 VOSXJDVEQCTGQR-UHFFFAOYSA-N 446.859 3.944 0 40 IHAB CCC(=O)c1ccc(OCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1 12814479 WDNSVRCTAXQHEX-UHFFFAOYSA-N 444.553 3.780 0 40 IHAB COc1cc(OC)cc(C(=O)N[C@@H](C(=O)Nc2nc3c(s2)CCCCC3)C(C)C)c1 12828349 QMDLEXLAURFJQG-LJQANCHMSA-N 431.558 3.822 0 40 IHAB CCOC(=O)CCC(=O)Nc1ccc2nc(C)n(Cc3cccc(Cl)c3)c(=O)c2c1 13028237 SKEIJSVSTWPABQ-UHFFFAOYSA-N 427.888 3.688 0 40 IHAB O=C(c1cc(Cl)nc2ccccc12)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1 13037773 KPSVLAYFCBYCGN-HNNXBMFYSA-N 448.910 3.946 0 40 IHAB O=C(Cn1c(SCC(=O)Nc2nccs2)nc2ccccc21)NCc1ccccc1 13082935 SBODIMPQESMSAE-UHFFFAOYSA-N 437.550 3.540 0 40 IHAB COc1ccc(CN2CCC(CNS(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 13565360 LDIAJMNPUJXWIY-UHFFFAOYSA-N 442.503 3.905 0 40 IHAB COc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccccc4F)[nH]c(=O)c32)c(OC)c1 13567370 RIAJNMSYAPOZQN-OAHLLOKOSA-N 441.484 3.693 0 40 IHAB CC(C)Oc1ccc(C(=O)Nc2cc(-c3ccccc3)nn2[C@H]2CCS(=O)(=O)C2)cc1 13691818 LNLXJBXKTCSXBG-IBGZPJMESA-N 439.537 3.949 0 40 IHAB COc1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 15636603 QFIYTJRIBUTKFK-ZIAGYGMSSA-N 449.598 3.559 0 40 IHAB CCN(CC)c1ccc(NC(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2Cl)cc1 15858461 DMMCQHCPMAOGKD-AWEZNQCLSA-N 449.960 3.751 0 40 IHAB C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(Cl)c3F)cc2)C[C@@H](C)O1 15997379 CFGBGAAYZVHDEH-CHWSQXEVSA-N 426.897 3.529 0 40 IHAB C[C@H]1COC[C@H](C)N1c1ncc(-c2nnnn2-c2ccccc2)c(-c2ccccc2F)n1 16609691 LBCNLYIAELZNFR-HOTGVXAUSA-N 431.475 3.539 0 40 IHAB Cc1cc(OCC(=O)N(Cc2ccccc2F)[C@H]2CCS(=O)(=O)C2)cc(C)c1Cl 16750664 ZQSIOTVXZINQHK-KRWDZBQOSA-N 439.936 3.691 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CSc2nccn2-c2ccc(OC)cc2OC)cc1 17306539 BBVMRSRRPKWHJY-UHFFFAOYSA-N 441.509 3.797 0 40 IHAB CCCC(=O)N1CCO[C@@](Cc2ccccc2-c2ccc(F)cc2)(C(=O)NC(C)C)C1 19501507 SSMOMQDBDKSZOM-RUZDIDTESA-N 426.532 3.958 0 40 IHAB COc1cccc(C(=O)N2CCC(Cc3nc(-c4ccsc4)cc(=O)[nH]3)CC2)c1OC 19567265 GMZJVKJAXWIOCL-UHFFFAOYSA-N 439.537 3.611 0 40 IHAB CN(C)c1ccc(C(=O)N2CCCC[C@@H]2c2nc(O)c3c(n2)CN(C2CCCC2)CC3)cc1 19584791 IUGMXDRVANKUMY-HSZRJFAPSA-N 449.599 3.916 0 40 IHAB COCC(=O)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2cc3c(cc2OC)CCCC3)C1 19592988 UBYJPRQFSOUNTN-QFQXNSOFSA-N 437.584 3.685 0 40 IHAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](c2ccc(Cc3ccc(F)cc3)cn2)C1 19690239 WXFZVEWLGXHMOB-LJQANCHMSA-N 429.517 3.985 0 40 IHAB CN(C)c1ncc(-c2cccc(F)c2)c(C2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)n1 19695142 YIAHNSGGVKPPPN-UHFFFAOYSA-N 434.519 3.580 0 40 IHAB Cc1ncc(CN2CC[C@H](c3c(C(=O)N4CCOCC4)sc4ncccc34)C2)s1 19702021 JJSQDLURCRHIIA-HNNXBMFYSA-N 428.583 3.523 0 40 IHAB COc1ccc([C@H](C)NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccccc2)cc1 20010240 HBLBDBBRYKYTKH-SFHVURJKSA-N 430.570 3.896 0 40 IHAB CN1C[C@@H](NC(=O)Nc2cccc(C(F)(F)F)c2)C[C@H]1c1nc(-c2ccccn2)no1 20464047 SKLGYQBQINWZIL-HOCLYGCPSA-N 432.406 3.717 0 40 IHAB biogenic,in-vitro CCn1nc(C)c(-c2cc(C(=O)OC)n3nc4nc(C(F)(F)F)cc(C)c4c3n2)c1C 20604940 IIRROEVZDKQQMG-UHFFFAOYSA-N 432.406 3.892 0 40 IHAB Cc1noc(C)c1COc1ccc(C(=O)OCC(=O)NCC2(c3ccccc3)CC2)cc1 21871201 BRKYBIQCTRNBKH-UHFFFAOYSA-N 434.492 3.875 0 40 IHAB COc1ccc(CN(C(=O)CSc2nc(C)c(C)n2C[C@@H]2CCCO2)C2CC2)cc1 22092187 RCEHATNVBZNCRY-NRFANRHFSA-N 429.586 3.971 0 40 IHAB C[C@@H](NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)c1ccccc1 22350766 ZZRWXBAUITZMNT-GOSISDBHSA-N 426.513 3.894 0 40 IHAB Cc1nc2sc([C@@H](c3ccccc3F)N3CCN(Cc4ccccc4)CC3)c(O)n2n1 22627038 WGWYNHCBQNMISZ-HXUWFJFHSA-N 437.544 3.851 0 40 IHAB Cc1ccc(NC(=O)CSc2nnc3nc(O)c(-c4ccc(Cl)cc4)nn23)cc1C 22720382 MLZSBMGAAKHNAX-UHFFFAOYSA-N 440.916 3.893 0 40 IHAB Cc1nc2ccc(NC(=O)[C@@H](C)Oc3ccc4c(c3)OCO4)cc2c(=O)n1-c1ccccc1 23143727 LGVRDLRAHMKRFZ-OAHLLOKOSA-N 443.459 3.829 0 40 IHAB COc1ccc(Cc2nc(-c3ccc(CCNS(C)(=O)=O)s3)cs2)cc1OC 23624987 LQGZGTSUIJRCIB-UHFFFAOYSA-N 438.596 3.571 0 40 IHAB O=C(CN1CCN(c2ccccn2)CC1)N1N=C(c2cccs2)C[C@H]1c1cccs1 23935563 WAXUMLHAXUVJNJ-SFHVURJKSA-N 437.594 3.705 0 40 IHAB CC(C)(C)NC(=O)CN1CCCN(Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 29196364 CBIHQHTVLXBCRJ-UHFFFAOYSA-N 445.611 3.962 0 40 IHAB COc1ccc(OC)c(CN2CCN(C(=O)Cc3nc(-c4cccs4)oc3C)CC2)c1 29984429 YYZQRVOFQFNPFD-UHFFFAOYSA-N 441.553 3.616 0 40 IHAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)COc1cccc2ccccc12 30754479 ZERYEFZTHMEHBJ-UHFFFAOYSA-N 428.510 3.553 0 40 IHAB COC(=O)c1ccc(NC(=O)c2ccccc2SCc2nnnn2-c2ccccc2)cc1 32747461 YCQIOWQZNOAZRX-UHFFFAOYSA-N 445.504 3.994 0 40 IHAB COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCC(=O)N1CCCC1 32752567 YIFNXBLKPVXPSS-DEDYPNTBSA-N 433.508 3.859 0 40 IHAB O=C(Cn1c(SC(F)F)nc2ccccc21)NC1CCN(C(=O)c2ccccc2)CC1 32843040 BKWAAPIRCWYZDW-UHFFFAOYSA-N 444.507 3.772 0 40 IHAB CCCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)C1 32913099 GVRVHZKSPHARBJ-OAHLLOKOSA-N 442.006 3.778 0 40 IHAB O=C(CCCn1c(=O)oc2ccccc21)NC[C@H](c1ccccc1Cl)N1CCCC1 32988519 KRCBYBIMAZFHCF-HXUWFJFHSA-N 427.932 3.981 0 40 IHAB C=CCc1cc(/C=C2/SC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(OC)c1O 33880403 DNIZUEQUXWYRQZ-LICLKQGHSA-N 429.450 3.745 0 40 IHAB COc1ccc(-c2cc(C(F)F)nc(N3CCN(Cc4cccnc4)CC3)n2)cc1OC 36613724 HQCOOILLQHHDNG-UHFFFAOYSA-N 441.482 3.816 0 40 IHAB Cc1occc1C(=O)Nc1cc(NC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)ccc1F 48344870 OAEBPIDKQAMPBI-MRXNPFEDSA-N 442.491 3.846 0 40 IHAB O=C(NCc1ccc(N2CCCCCC2)nc1)Nc1ccc(N2C(=O)CCCC2=O)cc1 48374944 MIBACPVKBLOREO-UHFFFAOYSA-N 435.528 3.827 0 40 IHAB O=C(NCc1ccc(Br)cc1)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 57416493 KLHHACAQXSAPQI-LBPRGKRZSA-N 425.685 3.911 0 40 IHAB Cc1cc(NC(=O)C[C@@H]2C=CS(=O)(=O)C2)n(-c2cc(C(F)(F)F)ccc2Cl)n1 58582603 BSQPFXRMKNUHSI-NSHDSACASA-N 433.839 3.740 0 40 IHAB CCOc1cc([C@@H]2C(C(=O)OC)=C(c3ccc(Cl)cc3)Nc3ncnn32)ccc1OC 59227871 CZJKCFSKRGLNCA-HXUWFJFHSA-N 440.887 3.938 0 40 IHAB CCc1ccccc1NC(=O)Cn1cnc2nc(N(C)Cc3ccccc3)sc2c1=O 67225703 RZACBCHRSUKTON-UHFFFAOYSA-N 433.537 3.691 0 40 IHAB Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)nnn1CC(=O)Nc1ccc2c(c1)OCO2 67322821 PWYJQWHBHHGTGA-UHFFFAOYSA-N 448.266 3.513 0 40 IHAB CC(C)n1c(CN2CCC3(CC2)C[C@@]2(CO3)NC(=O)c3ccccc3N2)nc2ccccc21 72325461 CZEJVDXDQCECAN-SANMLTNESA-N 445.567 3.924 0 40 IHAB CCN(CC)c1ncc(CN2CCC[C@H](c3ccc(C(=O)N4CCCC4)cn3)C2)s1 72345753 VQPJYCWUNSBLGO-IBGZPJMESA-N 427.618 4.000 0 40 IHAB COc1ccc(OC)c2c1CN(C(=O)/C=C/c1ccc(OCc3ccccn3)cc1)C[C@H]2O 78307656 ZNRQUQHJWJQAHB-MKGTUJQCSA-N 446.503 3.767 0 40 IHAB CC(=O)Nc1ccc(S(=O)(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)cc1 79108160 UJJNIHCXELWRTH-UHFFFAOYSA-N 435.977 3.585 0 40 IHAB O=C(NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)c1[nH]nc(C2CC2)c1Br 84344554 UZYWGJBJTWYSMD-JTQLQIEISA-N 425.277 3.584 0 40 IHAB Cc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCN(Cc3ccccc3)CC2)cc1 95232845 BAHAGVZASXZYPB-AREMUKBSSA-N 438.579 3.937 0 40 IHAB O=C(NCc1ccc(F)cc1)C(=O)NC1(c2noc(CC3CCCC3)n2)CCCCCC1 95444164 NGJDRXJBYCIDMT-UHFFFAOYSA-N 442.535 3.924 0 40 IHAB COC(=O)c1ccc(C)c(NC(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)c1 97994305 HJERPASGLHXMJK-XSFVSMFZSA-N 429.436 3.665 0 40 IHAB CC(C)Oc1cccc(CNC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)c1 113956825 NABVYIMNNOYRAT-UHFFFAOYSA-N 430.570 3.969 0 40 IHAB CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C 118925518 WBZYOPMJAOANPU-APKYXCIGSA-N 434.573 3.680 0 40 IHAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N(C)Cc1nc(-c2ccc(OC)cc2OC)no1 219364026 PWEAIWOHAPVKGY-LJQANCHMSA-N 441.484 3.578 0 40 IHAB CCCCNS(=O)(=O)c1ccc(OCC(=O)N2c3ccccc3C[C@H]2C)c(Cl)c1 222840971 WZPJXGCLDJAXNQ-OAHLLOKOSA-N 436.961 3.775 0 40 IHAB COc1cccc(N(CCCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)S(C)(=O)=O)c1 222989153 PLQOREMBUQLSPB-SFHVURJKSA-N 444.597 3.998 0 40 IHAB CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccc(OC)cc1 223073589 FQFUAYNWMJHGTL-HNNXBMFYSA-N 433.346 3.554 0 40 IHAB Cc1ccccc1N(CC(=O)NCCOc1ccc(F)cc1)S(=O)(=O)c1ccccc1 223462958 JTBXJFHOAVAIOH-UHFFFAOYSA-N 442.512 3.525 0 40 IHAB CS(=O)(=O)N(CC(=O)Nc1ccc(Cc2ccncc2)cc1)c1ccc(Cl)cc1 223638869 MZZGVBLWWSQWNX-UHFFFAOYSA-N 429.929 3.731 0 40 IHAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)CCc1ccc2c(c1)OCCO2 224083666 UIPXCSZGIBNVMP-KRWDZBQOSA-N 442.531 3.862 0 40 IHAB CN(C(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1Cl)[C@@H]1CCCC[C@H]1O 224235953 SHGMZNFWINGVRJ-WOJBJXKFSA-N 436.961 3.541 0 40 IHAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)Nc3ccc(N4CCCC4)cc3)CC2)c1 224922212 GVDOYOHJQYZRAX-UHFFFAOYSA-N 441.597 3.776 0 40 IHAB COc1cc(-c2nc3sc(=Cc4ccc(C(C)C)cc4)c(=O)n3n2)cc(OC)c1OC 254591880 DOCRICDFDRMCDT-UHFFFAOYSA-N 437.521 3.515 0 40 IHAB Cc1cc(CCCC(=O)N2CCO[C@H](c3cccc(Nc4ncccn4)n3)C2)ccc1F 257251669 JRQNCKMYZBPIDV-NRFANRHFSA-N 435.503 3.986 0 40 IHAB CCN1CCN(C(=O)c2cccc(OC)c2)[C@@H](Cc2ccccc2-c2cccnc2)C1=O 257281206 OOCQUGGORBMGER-DEOSSOPVSA-N 429.520 3.673 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](C)CCc3ccccc3)C2)cc1C 408584410 PKOOSGQVNXPOIA-TZIWHRDSSA-N 444.597 3.542 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1C(=O)N1CCOCC1 408611466 XBDVCLJRTFTEJU-UHFFFAOYSA-N 429.325 3.575 0 40 IHAB Cc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1OCC(=O)NC1CCCC1 408624518 QPPDZUITJWHMQL-UHFFFAOYSA-N 428.554 3.574 0 40 IHAB CCOc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cc(Cl)ccc2OC)cc1 408663291 NBAPCIMTPMNHPW-UHFFFAOYSA-N 434.876 3.648 0 40 IHAB CS(=O)(=O)N(CCCC(=O)Nc1ccccc1C(F)(F)F)c1ccc2c(c1)OCO2 408703437 FXUNZFSGOHAGTH-UHFFFAOYSA-N 444.431 3.619 0 40 IHAB CCCCNC(=O)CSc1nc2ccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc2s1 408978959 BDEBFTXXWHVXNB-HUUCEWRRSA-N 431.583 3.984 0 40 IHAB Cc1ccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3cc(F)ccc3C)n2C)cc1 409125974 GJMZGBCLTIRBTH-HNNXBMFYSA-N 441.532 3.793 0 40 IHAB Cc1cc(C)cc(NC(=O)CSc2nnc([C@@H](C)NC(=O)c3cccc(C)c3)n2C)c1 409127172 PDXSWSRPLKFTGY-QGZVFWFLSA-N 437.569 3.962 0 40 IHAB CNC(=O)C1(CC2CCNCC2)CCN(C(=O)C(C)(c2ccccc2)c2ccccc2)CC1 585261749 GAOBLSFXFIHXGO-UHFFFAOYSA-N 447.623 3.737 0 40 IHAB CCCc1cnc(Nc2cccc(C3(C(N)=O)CCN(C(=O)OC(C)(C)C)CC3)n2)s1 585263292 AQFLIPOUBAOFGQ-UHFFFAOYSA-N 445.589 3.988 0 40 IHAB COc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)cc1OC 1368170 WRHHDFHGNCWNTI-NSHDSACASA-N 445.566 3.857 0 40 IHAB CCc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc1 1413664 DEBWCEBLWALOFO-LTGZKZEYSA-N 435.549 3.634 0 40 IHAB Cc1cccc(C)c1NC(=O)CSc1nnc(NC(=O)c2ccccc2C(=O)O)s1 2349628 NMAHAKXBEOXTSJ-UHFFFAOYSA-N 442.522 3.836 0 40 IHAB O=C(O)CCC(=O)NCc1cn(-c2ccccc2)nc1-c1cccc(Br)c1 2628648 JZXSFRCNOJRZLE-UHFFFAOYSA-N 428.286 3.783 0 40 IHAB O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2)c1cccs1 2664385 ROKAFQXYJOZWKL-LJQANCHMSA-N 447.516 3.616 0 40 IHAB COc1ccc(C(=O)N[C@H](C(Cl)(Cl)Cl)S(=O)(=O)c2ccc(C)cc2)cc1 2710460 XWXUWYZHBNBXIE-INIZCTEOSA-N 436.744 3.904 0 40 IHAB COc1ccc(NC(=O)c2ccc(NC(=O)COc3ncnc4ccccc34)cc2)cc1 3267026 WAOAZIGIGLZNSM-UHFFFAOYSA-N 428.448 3.908 0 40 IHAB O=C1CN(C(=O)CSc2nnc(-c3ccccc3)n2Cc2ccco2)c2ccccc2N1 3364844 JFXSELPPNQBFHL-UHFFFAOYSA-N 445.504 3.664 0 40 IHAB COc1ccc(C)cc1-n1nnnc1SCC(=O)c1cc(C)n(-c2cc(C)on2)c1C 3491824 YMYZTAKXEMBYMZ-UHFFFAOYSA-N 438.513 3.658 0 40 IHAB CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)[C@@H](C)N1C[C@@H](C)C[C@H](C)C1 5067096 ZEXLUBLZRNFVBG-SOUVJXGZSA-N 431.533 3.667 0 40 IHAB CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3CCC(C)CC3)cc2c1 6198099 PHPDLRVLUJHSHL-DEOSSOPVSA-N 442.567 3.947 0 40 IHAB O=C(NC[C@H]1CCCO1)[C@H](c1cccnc1)N(C(=O)Cc1cccs1)c1ccccc1 8667066 ASXLGFHXTXKNCW-OFNKIYASSA-N 435.549 3.755 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2nc(-c3ccccc3)cs2)cc1 8869160 QAUSIYGPXTXXSW-LJQANCHMSA-N 427.551 3.910 0 40 IHAB O=C(COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)Nc1ccc(Cl)cc1 9011562 QAVIXRNJJGYOFU-UHFFFAOYSA-N 438.823 3.525 0 40 IHAB COc1ccc(NC(=O)CN(C)C(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)cc1 9056223 FVMIRYWGTNWCOP-UHFFFAOYSA-N 441.491 3.654 0 40 IHAB Cc1ccc(C(=O)c2cnc3sc(C(=O)NCc4ccc5c(c4)OCO5)c(C)n23)cc1 9130731 OVZXSYXMPCTVCD-UHFFFAOYSA-N 433.489 3.902 0 40 IHAB COc1ccc(OCCSc2nnc(CNC(=O)c3ccc(Cl)cc3)n2C)cc1 9262805 QVEIAPFOKQQLPK-UHFFFAOYSA-N 432.933 3.578 0 40 IHAB Nn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1cc(-c2ccc(F)cc2)n[nH]1 9542039 SIKFPNXXFOLABV-UHFFFAOYSA-N 443.895 3.572 0 40 IHAB O=C(/C=C/c1ccc2c(c1)OCO2)NCCc1csc2nc(-c3ccc(F)cc3)nn12 9568959 KKHWBYDKGRFZHB-KRXBUXKQSA-N 436.468 3.698 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](C)Sc2nc(C)cs2)ccc1C 9631167 BTMUYCTVPOUKOJ-AWEZNQCLSA-N 427.617 3.910 0 40 IHAB Cc1cccc(OCCNC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)c1 9873574 CBJIXOIHRMWELA-UHFFFAOYSA-N 436.533 3.555 0 40 IHAB O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1cncn1-c1ccc(F)cc1 9952764 LSZLQBDZWUVTGE-UHFFFAOYSA-N 442.516 3.828 0 40 IHAB CN(C1CC1)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)Cc2ccccc2-3)cc1 10099547 ZJODOJDRDZWWPH-UHFFFAOYSA-N 425.535 3.750 0 40 IHAB O=C(Cc1csc(NC(=O)c2ccccc2)n1)NCc1ccc(CN2CCCC2)cc1 10134699 HBVSLAIUEMFGPA-UHFFFAOYSA-N 434.565 3.850 0 40 IHAB Cc1ccc(N2C(=O)N(CC(=O)N3CCCC[C@@H]3C)c3ccccc3S2(=O)=O)cc1 10272716 VLRAZDXSIRMQNO-KRWDZBQOSA-N 427.526 3.531 0 40 IHAB COc1cc(-c2noc(-c3nnn(-c4cc(F)ccc4F)c3C)n2)cc(OC)c1OC 10273398 RJACJYXHYNYSAW-UHFFFAOYSA-N 429.383 3.597 0 40 IHAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)N3CCc4ccccc43)Oc3ccccc32)cc1 10449360 GJRDFWXMAJIZMM-HSZRJFAPSA-N 434.517 3.541 0 40 IHAB Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)COc2ccc(C)c3c2C(=O)C[C@@H]3C)c1C 11052926 VWGCZRDVNVBEOE-HNNXBMFYSA-N 444.553 3.570 0 40 IHAB Cc1ccc(NC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccccc3)c2=O)cc1Cl 12415853 AGHGZFYFGDSHMA-UHFFFAOYSA-N 444.940 3.898 0 40 IHAB Cc1ccc(-n2c(SCC(=O)NCCc3ccccc3)nc3ccccc3c2=O)nc1 12632318 PHCHOALBGDYDJS-UHFFFAOYSA-N 430.533 3.540 0 40 IHAB CCOc1ccc(NC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)cc1 12851489 JOSZFOXPMXLOMG-UHFFFAOYSA-N 445.497 3.892 0 40 IHAB CCc1cccc(N2C[C@H](C(=O)N(C)CC(=O)Nc3ccccc3C(F)(F)F)CC2=O)c1 13018012 KDMHNRAYLIJMII-MRXNPFEDSA-N 447.457 3.718 0 40 IHAB Cc1cc(C(F)(F)F)nc(-n2nc(-c3cnn(C)c3C)c(C)c2-c2cnn(C)c2C)n1 13644602 PYNPQSCDOMCDTC-UHFFFAOYSA-N 430.438 3.716 0 40 IHAB Cc1ccc(-c2nnc(-c3ccc(C(=O)N4Cc5ccccc5C[C@@H]4C(N)=O)cc3)o2)cc1 14121232 LIMNWBUHKVEAKO-JOCHJYFZSA-N 438.487 3.764 0 40 IHAB Nc1c(N(CCC2=CCCCC2)C(=O)C[C@H]2C=CCC2)c(=O)[nH]c(=O)n1Cc1ccccc1 14633430 VAYTZTZWUWPRJU-FQEVSTJZSA-N 448.567 3.747 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)cc2)cc1C 15570621 MLQILJURYKIRMW-UHFFFAOYSA-N 436.493 3.526 0 40 IHAB COc1ccc(CCNC(=O)c2cc3cc(Br)ccc3oc2=O)cc1OC 15739168 OZRFLSXVSYYRHG-UHFFFAOYSA-N 432.270 3.545 0 40 IHAB CCOC(=O)C1CCN(C(=O)CCc2csc(NC(=O)Nc3ccccc3)n2)CC1 16848944 ZCIISUCBDAEQMA-UHFFFAOYSA-N 430.530 3.521 0 40 IHAB Cc1ncc(-c2ccncc2C)c([C@H]2CCCCN2S(=O)(=O)c2c(C)noc2C)n1 19239803 MOGJVPUEHFMTAC-LJQANCHMSA-N 427.530 3.676 0 40 IHAB CC(C)c1nccn1CCC(=O)N1C[C@@H](c2cc(F)cc(F)c2)[C@@]2(CCCCC(=O)N2)C1 19454477 USDROJTVIJZZKO-GBXCKJPGSA-N 444.526 3.730 0 40 IHAB COCCC(=O)N1CCC[C@](Cc2ccc(-c3ccccc3F)cc2)(C(=O)N(C)C)C1 19579051 ANJIHWHOLBVWOY-RUZDIDTESA-N 426.532 3.769 0 40 IHAB CNC(=O)[C@]1(Cc2ccc(-c3ccccc3OC)cc2)CCN(C(=O)c2ccccn2)C1 19591611 DIFDGCVGBVCKDD-SANMLTNESA-N 429.520 3.578 0 40 IHAB CCc1cc(C(=O)N2CCC[C@H]2c2nc(C)c3c(n2)N(Cc2ccccc2)C(=O)CC3)on1 19741766 WVMLQFPZGCIATP-FQEVSTJZSA-N 445.523 3.792 0 40 IHAB CCNc1nc(C)c(C(=O)N2CCC[C@H]2c2nc(C)c3c(n2)N(CC(C)C)C(=O)C3)s1 19744306 BXMRPLMHKLUIHD-INIZCTEOSA-N 442.589 3.504 0 40 IHAB Cc1ccc([C@H]2CCCN2C(=O)c2cccn(CC(=O)NC3CCCCC3)c2=O)cc1C 19750026 AVTDPCDFSWHDQI-HSZRJFAPSA-N 435.568 3.891 0 40 IHAB CS(=O)(=O)N(CC(=O)NCc1ccc(F)cc1)c1cc(C(F)(F)F)ccc1Cl 20045637 LMOPYVFNICEZLW-UHFFFAOYSA-N 438.830 3.580 0 40 IHAB COc1ccc(C(=O)N[C@H]2CC[C@]3(C)CC[C@H]([C@H](C)C(=O)NC4CC4)[C@H](O)[C@H]3[C@@H]2C)cc1 20466199 KNZIUABBUGLNHK-AJSRWPDWSA-N 442.600 3.532 0 40 IHAB biogenic,in-vitro O=S(=O)(c1ccc2ccccc2c1)N1CCN(Cc2ccc(-n3cccn3)cc2)CC1 20961875 RFEFYXZFGOGSQP-UHFFFAOYSA-N 432.549 3.532 0 40 IHAB Cc1noc(C)c1CSc1ncccc1C(=O)NCC(C)(C)N1C[C@H](C)O[C@@H](C)C1 21065464 JGCBJRFGIICEPZ-GJZGRUSLSA-N 432.590 3.596 0 40 IHAB CCCNC(=O)Cn1cc(-c2nc(-c3ccc(Cl)cc3)no2)c(=O)c2ccc(C)nc21 21654943 COLPPUUOCCYUCU-UHFFFAOYSA-N 437.887 3.602 0 40 IHAB Cc1ccc(N(CC(=O)NCCCc2ccc(Cl)cc2)S(C)(=O)=O)cc1Cl 22337553 JTAFTOUMWGLUHI-UHFFFAOYSA-N 429.369 3.817 0 40 IHAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)N[C@@H]3CCCc4ccccc43)CC2)c1 22510821 SHZPJZPXXVADMA-HSZRJFAPSA-N 426.582 3.731 0 40 IHAB C[C@@H](C(=O)N[C@@H]1CCCc2ccccc21)N1CCN(Cc2nc3ccccc3s2)CC1 22932469 GTMZZRPPEPMQGW-GHTZIAJQSA-N 434.609 3.996 0 40 IHAB Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)N2CCN(Cc3cccs3)CC2)c1 23736664 OPAHKWWDXZLQEZ-UHFFFAOYSA-N 427.599 3.712 0 40 IHAB O=C(c1cccs1)N1CCC(C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)CC1 23805854 NADSLABQPLCAOE-UHFFFAOYSA-N 438.018 3.660 0 40 IHAB Cc1cc2oc(=O)cc(COC(=O)c3ccc(Cn4ccccc4=O)o3)c2cc1Cl 24207995 BMPABBMWKSZPOR-UHFFFAOYSA-N 425.824 3.915 0 40 IHAB COc1ccc(Cl)cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 24613026 XFHSDVSHJGHENN-UHFFFAOYSA-N 440.924 3.668 0 40 IHAB O[C@@H](COCCOc1ccc(Cl)cc1)CN1CCC[C@@H]1c1ccc2c(c1)OCCO2 25228032 YFWIKFAGWQBGJA-TZIWHRDSSA-N 433.932 3.705 0 40 IHAB O=C(Nc1ccc(N2CCCCC2)c2ccncc12)[C@H](Cc1ccccc1)n1cnnn1 26925996 ZSGRCUOXDYFMLK-QHCPKHFHSA-N 427.512 3.634 0 40 IHAB O=C(CCc1nc(-c2ccsc2)no1)Nc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1 27977452 DLTAUWYXGPPGLX-KRWDZBQOSA-N 441.513 3.670 0 40 IHAB Cn1ccnc1[C@@H](NC(=O)Cc1cc(Cl)c2c(c1)OCCCO2)c1ccc(F)cc1 32836924 BGVMNRSRZBHGDE-FQEVSTJZSA-N 429.879 3.822 0 40 IHAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)C[C@H](NC(C)=O)c1ccccc1Cl 32922404 OOBICZKQSHDUKR-KRWDZBQOSA-N 430.892 3.989 0 40 IHAB Cc1ccc(S(=O)(=O)c2c(C(=O)N3CCOCC3)cnc3ccc(Cl)cc23)cc1 33249347 DLUBVLNGINULJD-UHFFFAOYSA-N 430.913 3.502 0 40 IHAB CCN(CC(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc(Br)cc1 33747755 FHQOHFYAJCOFKM-UHFFFAOYSA-N 425.348 3.715 0 40 IHAB Cc1cccc2cc(CN(Cc3ccco3)S(=O)(=O)c3ccccc3F)c(=O)[nH]c12 35289187 NSPMXWOWMABBKT-UHFFFAOYSA-N 426.469 3.960 0 40 IHAB CC(C)(C)c1nc(SCC(=O)N2CCN(C(=O)c3ccco3)CC2)c2ccccc2n1 35312163 GGGAHBZCJCDZEN-UHFFFAOYSA-N 438.553 3.597 0 40 IHAB CCc1ccc2c(c1)c1nnc(SCC(=O)Nc3cccc(NC(C)=O)c3)nc1n2C 35312640 ZHQKXYADWDMCLI-UHFFFAOYSA-N 434.525 3.768 0 40 IHAB CN(Cc1nc2ccccc2n1C(F)F)C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 40052482 SXTAHHAIYTWAFR-GOSISDBHSA-N 428.439 3.821 0 40 IHAB CCOc1ccc(NC(=O)[C@H]2CCCc3ccccc32)cc1S(=O)(=O)N1CCCC1 40058768 VRDFAXYNPCANBH-FQEVSTJZSA-N 428.554 3.928 0 40 IHAB CN(C1CCCCC1)S(=O)(=O)NC[C@@H](c1ccccc1)N1CCc2sccc2C1 40105694 VOHMKBGVKJNVIT-NRFANRHFSA-N 433.643 3.946 0 40 IHAB CC[C@H]1CCCCN1C(=O)[C@H](C)S(=O)(=O)Cc1cc(Cl)c2c(c1)OCCCO2 40106126 IVAITIQKTPHRAS-HOCLYGCPSA-N 429.966 3.596 0 40 IHAB O=C(NCCc1ccccc1F)C1CCN(C(=O)c2csc(-c3ccco3)n2)CC1 40142354 MKJVQLHKNHMBRJ-UHFFFAOYSA-N 427.501 3.753 0 40 IHAB O=C(CCCn1c(=O)oc2ccccc21)Nc1cc(F)ccc1NC(=O)c1ccccn1 40152091 NUNRLBJKQFCTOC-UHFFFAOYSA-N 434.427 3.800 0 40 IHAB COc1ccc(-c2nnc3sc(NC(=O)COc4ccccc4Cl)nn23)cc1OC 41076495 QPRBZSPETFRLNE-UHFFFAOYSA-N 445.888 3.541 0 40 IHAB Cc1ccc(C)c(N2CCN([C@@H](c3nnnn3Cc3ccc4c(c3)OCO4)C(C)C)CC2)c1 57671400 IZDFYKYACLKDNR-XMMPIXPASA-N 448.571 3.586 0 40 IHAB CCn1nc(C)c2nc(SCC(=O)NC3CCCCC3)n(Cc3cccs3)c(=O)c21 64817523 ZXOSBELQYIZUDT-UHFFFAOYSA-N 445.614 3.572 0 40 IHAB CC[C@@H](C)n1c(SCC(=O)Nc2cc(OC)cc(OC)c2)nc2cc(C)[nH]c2c1=O 67238953 KCEKLVQFRVVIHX-CYBMUJFWSA-N 430.530 3.752 0 40 IHAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1cc(N2CCN(c3ccccc3)CC2)ncn1 77100896 RSTABPOXQXMODV-QGZVFWFLSA-N 437.931 3.863 0 40 IHAB CCCC[C@@](C)(O)[C@@H]1C[C@@]23C=C[C@]1(OC)[C@@]1(C)Oc4c(O)ccc5c4[C@@]12CCN(C)[C@@H]3C5 96316374 NODDVOPQRZIFJX-BNZBFHNMSA-N 439.596 3.944 0 40 IHAB biogenic,in-vitro COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4C)C(=O)[C@H]3ON2c2ccccc2)ccc1O 96786939 VZAFSPQRRKUHIT-ZLNRFVROSA-N 430.460 3.760 0 40 IHAB COc1ccc([C@@H]2C=C(c3ccc(Cl)cc3)Nc3nc(N4C(=O)CCC4=O)nn32)cc1 100999062 GQTYNSLTQMNCRB-SFHVURJKSA-N 435.871 3.650 0 40 IHAB O=C(/N=c1\sccn1Cc1ccc(Cl)cc1Cl)c1cnc2ccccn2c1=O 104716059 IGYLOGVLNHAKST-NMWGTECJSA-N 431.304 3.654 0 40 IHAB O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)NCc1ccco1 107572591 MIUNMPRQPYZDFE-UHFFFAOYSA-N 425.901 3.984 0 40 IHAB COc1cc(=O)n(-c2ccccc2)nc1C(=O)Nc1ccccc1-c1cn2ccsc2n1 206895250 MGGWBAPYCQXYAR-UHFFFAOYSA-N 443.488 3.870 0 40 IHAB CC1(C)C[C@@H](NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c2ccccc2O1 219258203 JRDIJOFPCJNHKM-NVXWUHKLSA-N 434.583 3.567 0 40 IHAB COc1ccc([C@@H](C)NC(=O)[C@@H](C)N(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 220203044 XFVDXMSXTHMIKZ-ZIAGYGMSSA-N 444.475 3.746 0 40 IHAB C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)N(c1cccc(F)c1)S(C)(=O)=O 220480434 SNRVTIGMBZBCEY-KRWDZBQOSA-N 426.513 3.886 0 40 IHAB CC[C@H](C(=O)NCCc1ccccc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 220681993 HTEBIZTWGXROQT-QGZVFWFLSA-N 429.369 3.897 0 40 IHAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1F 222493162 SSUZXAJOLWOGTK-UTKZUKDTSA-N 430.520 3.935 0 40 IHAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)N[C@H](C)c3ccc(C)cc3C)s2)c1 222983079 QUZXIFSUOVIJEN-OAHLLOKOSA-N 430.555 3.755 0 40 IHAB CCOc1ccc(N(CC(=O)N[C@@H](CC)c2ccc3c(c2)CCCC3)S(C)(=O)=O)cc1 223038124 IDYCOFBSWSZTGS-QHCPKHFHSA-N 444.597 3.998 0 40 IHAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)COc1cc(OC)cc(OC)c1 223166421 BZEMOFPATGUXLA-JOCHJYFZSA-N 442.556 3.805 0 40 IHAB COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(O)cc1 223732517 XXFCQYAMTNUUDR-VXKWHMMOSA-N 436.537 3.504 0 40 IHAB Cc1ccc(Cl)cc1N(CC(=O)NCCOc1ccccc1C(C)C)S(C)(=O)=O 223757906 YWJCNUAQNSXWEC-UHFFFAOYSA-N 438.977 3.733 0 40 IHAB COc1ccc2c(c1)CCC[C@H]2NC(=O)CCCN(c1ccccc1C)S(C)(=O)=O 223901501 FHZVHZUIQXJHCY-OAQYLSRUSA-N 430.570 3.744 0 40 IHAB O=C(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1cccc(Cl)c1 224415460 ZRADTUYNUFASKM-UHFFFAOYSA-N 437.949 3.715 0 40 IHAB COc1ccccc1[C@H](C)NC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 224542464 WJYSAGYMAKVSGS-LBPRGKRZSA-N 431.341 3.645 0 40 IHAB COc1cccc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(F)cc3)cc2)c1 224573261 CQOMZAQHNSNISR-UHFFFAOYSA-N 430.457 3.653 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCc1cccc(C(F)(F)F)c1)c1ccc(F)cc1 225332932 SAVCDRZXMREIQN-UHFFFAOYSA-N 432.439 3.707 0 40 IHAB C[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 245267419 LQDKNJLLJULMEN-RVKKMQEKSA-N 443.407 3.545 0 40 IHAB COc1ccc(CCNC(=O)[C@@H]2C[C@H]3CC[C@@]2(C)C[C@]32NC(=O)c3ccccc3N2)cc1 257248929 JFVRXAQSODJUJU-WEFYCIJJSA-N 433.552 3.732 0 40 IHAB CCn1nc(C)c(CN2CCO[C@@H](c3cc(CCOc4cccc(F)c4)n(C)n3)C2)c1C 257255180 KGMFJIHMSWLLAQ-XMMPIXPASA-N 441.551 3.587 0 40 IHAB CCOc1cccc2c1OC(C)(C)[C@H]1CC3(CCN(C(=O)c4cc[nH]n4)CC3)CO[C@H]21 257270259 MTJPETRFWBVEKY-FXAWDEMLSA-N 425.529 3.980 0 40 IHAB CCNC(=O)C1(Cc2ccc(-c3ccncc3)cc2)CCN(C(=O)c2cccnc2)CC1 257291751 QILQABXGUAYCIZ-UHFFFAOYSA-N 428.536 3.745 0 40 IHAB O=C1O[C@@]2(CCN(C(=O)c3cccc(Oc4ncccn4)c3)C2)CN1Cc1ccccc1 257322277 WFHLRJINLBFOGK-XMMPIXPASA-N 430.464 3.506 0 40 IHAB CC(=O)Nc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C)c(Cl)c2)cc1 408663829 OOEYUMLNIWSRKH-UHFFFAOYSA-N 431.876 3.507 0 40 IHAB Cc1ccccc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2)CC1=O 408667976 QQOKVVKMPVYFKX-QMMLZNLJSA-N 446.503 3.633 0 40 IHAB COc1ccc(CCNC(=O)N2CCCC3=C[C@H]4C[C@@H](CN5CCCC[C@@H]45)[C@@H]32)cc1OC 524731091 JXOSLFKXMPFGSP-DEJKCJRPSA-N 439.600 3.851 0 40 IHAB biogenic Cc1oc(C2CC2)nc1C(=O)NC1C(C)(C)C(NC(=O)c2nc(C3CC3)oc2C)C1(C)C 671761382 CBOVIWLCFBAVBO-UHFFFAOYSA-N 440.544 3.997 0 40 IHAB O=C(Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1)N[C@@H](CO)c1ncc[nH]1 1214572902 QXWJYCXYHDKLPM-INIZCTEOSA-N 433.390 3.536 0 40 IHAB CC(C)[C@@H](NC(=O)CC1(N2Cc3ccccc3C2=O)CCOCC1)c1nc2ccccc2[nH]1 1548347856 APNBFVDJIONTDU-HSZRJFAPSA-N 446.551 3.972 0 40 IHAB O=C(NN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccc(Cl)cc1 825757 OWEMRTXJXKWHGO-LIKPIUCQSA-N 428.875 3.877 0 40 IHAB CCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(OCc2ccccc2)c(OCC)c1 915077 KZHLYPZFSKSYEF-OAQYLSRUSA-N 435.484 3.503 0 40 IHAB COc1ccc(OC)c([C@H]2CC(c3ccc(Br)cc3)=NN2S(C)(=O)=O)c1 1244146 KDIHKOJVKFRYSX-QGZVFWFLSA-N 439.331 3.577 0 40 IHAB CCN1C(=O)[C@@](O)(CC(=O)c2cc(Br)c(Br)o2)c2ccccc21 1320428 FLZCQFRDCUJWDJ-MRXNPFEDSA-N 443.091 3.632 0 40 IHAB Cc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1 2412955 SCNQEWRKUDFOAC-UHFFFAOYSA-N 428.539 3.625 0 40 IHAB CC(C)OCCCNC(=O)c1c(N)n(CCCOC(C)C)c2nc3ccccc3nc12 2441204 HVEIDHKZKCCYOH-UHFFFAOYSA-N 427.549 3.527 0 40 IHAB CC[C@@H](C)[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(=O)NC(C)C 3190314 OEYHHWCQMQUJJZ-IIBYNOLFSA-N 425.529 3.617 0 40 IHAB CCC(=O)c1ccc(OCC(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1 3274557 PPSWZCRSLLNQFZ-UHFFFAOYSA-N 444.793 3.907 0 40 IHAB Cn1cccc1C(=O)NC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 3378881 CUVDRIBIIGBZCB-UHFFFAOYSA-N 429.505 3.593 0 40 IHAB CN(Cc1ccccc1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C1CCCCC1 3384145 WQKQSZRZEFKVEP-UHFFFAOYSA-N 429.586 3.954 0 40 IHAB CCCCCn1c(=S)[nH]c2cc(C(=O)NCc3ccc4c(c3)OCO4)ccc2c1=O 3631161 SOCIRVRWXHKJPG-UHFFFAOYSA-N 425.510 3.908 0 40 IHAB CC(C)OCCCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 6344123 KYAZACCNBBFCAS-UHFFFAOYSA-N 430.998 3.595 0 40 IHAB CC(C)CCN(CCC(C)C)C(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 6375042 VMMCQVBPGRFNOY-NRFANRHFSA-N 426.561 3.552 0 40 IHAB Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3CCC(C)CC3)cc2c1 6408905 NGNRMNZVNJJHHR-QHCPKHFHSA-N 428.540 3.693 0 40 IHAB CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(OCC(C)C)c(OCC)c1)n2CC 6567060 JTMQJBBYUIMAOR-UHFFFAOYSA-N 428.533 3.807 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CCC(C)C)c(OC)c1 8840948 SFEJTIBKBDCFQT-UHFFFAOYSA-N 432.542 3.830 0 40 IHAB C[C@H]1C[C@@H](C)CN([C@@H]2CC(=O)N(c3ccc(Br)cc3Br)C2=O)C1 8854660 RCXIBGQGEIVURL-JRPNMDOOSA-N 444.167 3.821 0 40 IHAB COc1ccc(NC(=O)[C@H]2C[C@H](CCSC)N[C@]23C(=O)Nc2c(C)cc(C)cc23)cc1 8994267 ZYNUTHFIZQWYSX-IQOKHDRSSA-N 439.581 3.829 0 40 IHAB CCOc1ccc2nc(COC(=O)c3ccccc3Br)c(C(C)=O)[n+]([O-])c2c1 9109162 BRIOWOJRVYTGOC-UHFFFAOYSA-N 445.269 3.589 0 40 IHAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2F)cc1 9227687 FVZDCCBQBKEMQK-UHFFFAOYSA-N 428.485 3.664 0 40 IHAB COc1ccc(NC(=O)[C@@H]2Sc3nnc(C)n3N[C@H]2c2ccc(OC)c(Cl)c2)cc1 9238634 BKCSINXPPDCJJA-ZWKOTPCHSA-N 445.932 3.655 0 40 IHAB CCOC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C(C)C 9283818 YPYKZDNADBGHIW-UHFFFAOYSA-N 425.510 3.874 0 40 IHAB Cc1cc(Cl)ccc1NC(=O)CSc1nnc(-c2cc(-c3ccccc3)n[nH]2)n1N 9452955 QRVRJEXDPAFCHX-UHFFFAOYSA-N 439.932 3.742 0 40 IHAB Cc1ccccc1N1C(=O)c2ccc(C(=O)OCC(=O)N3CCc4ccccc43)cc2C1=O 9586691 RAMWBWPIQYYZSO-UHFFFAOYSA-N 440.455 3.542 0 40 IHAB C[C@@H](C(=O)Nc1ccc2c(c1)CCC2)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 9665132 KSYLDVHBTFICBC-INIZCTEOSA-N 435.524 3.582 0 40 IHAB Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)NC[C@@H](c2ccccc2)N(C)C)cc1 9671624 PWLSSSMPMVFUFZ-QHCPKHFHSA-N 437.565 3.829 0 40 IHAB CCOc1ccc(NC(=O)CSc2nccn(-c3ccc(OCC)cc3)c2=O)cc1 9761474 VZSYBTVYWXGOLB-UHFFFAOYSA-N 425.510 3.761 0 40 IHAB CCOC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)c2cc3c(s2)-c2ccccc2OC3)CC1 9816724 VAHZVZARSMXEGX-CQSZACIVSA-N 443.521 3.655 0 40 IHAB O=C(Cn1cc(C(=O)c2ccccc2)c(=O)c2ccccc21)Nc1ccc2c(c1)OCCO2 9855509 UMQKVLOYKQUCEX-UHFFFAOYSA-N 440.455 3.642 0 40 IHAB Cc1cc2c(=O)n(Cc3ccco3)c(SCC(=O)NCc3ccccc3)nc2s1 9970685 CYPLARLOEOCJAM-UHFFFAOYSA-N 425.535 3.816 0 40 IHAB CCC(=O)c1ccc(OCC(=O)OCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1 11407432 ARRFSWBLQJZIPN-UHFFFAOYSA-N 435.480 3.643 0 40 IHAB Cc1c(CCC(=O)N[C@@H](C(=O)O)C(C)C)c(=O)oc2cc3oc4c(c3cc12)CCCC4 11865478 SKUPYTZNAJAAGN-JOCHJYFZSA-N 425.481 3.884 0 40 IHAB biogenic CCC[C@H](NC(=O)COc1ccc2c(=O)c(Oc3ccccc3)c(C)oc2c1)C(=O)O 11865716 YSDYFTFHJDTAGW-SFHVURJKSA-N 425.437 3.642 0 40 IHAB Cc1ccc(-n2c(=O)c3oc4ccccc4c3n(CC(=O)Nc3cccc(F)c3)c2=O)cc1 12140743 YSQZEUONMKIOAG-UHFFFAOYSA-N 443.434 3.985 0 40 IHAB COc1cc(CN2CCC(O)(Cn3ccc4nc(Cl)ccc43)CC2)cc(OC)c1OC 12163209 JNGSVNZCZMOWMN-UHFFFAOYSA-N 445.947 3.743 0 40 IHAB O=C(Nc1ccnn1Cc1ccccc1)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12 12555048 QHJCJZDFHPRLTD-UHFFFAOYSA-N 449.536 3.665 0 40 IHAB O=c1cc(CN2CCC[C@H]2c2ccc3c(c2)OCCO3)nc2ccc(Br)cn12 12567478 CGFCZLKHVCWCMD-KRWDZBQOSA-N 442.313 3.565 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@H](C)c3ccccn3)c2)cc1 12584515 RZYZGOILNAHOTB-MRXNPFEDSA-N 425.510 3.690 0 40 IHAB CC(=O)c1ccc(N2CCN([C@@H](C)C(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)cc1 12609687 WLNARMRHNHMXKI-HNNXBMFYSA-N 435.446 3.937 0 40 IHAB CC(=O)Nc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 12776288 SYEDJGGAOMDKOB-UHFFFAOYSA-N 443.569 3.781 0 40 IHAB Cc1ccc(-n2nc(C)cc2NC(=O)CSc2nnnn2-c2cc(C)cc(C)c2)cc1 12794525 GDDGJJGNPACFQI-UHFFFAOYSA-N 433.541 3.812 0 40 IHAB COc1ccc(NC(=O)CN(CCC(C)C)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 13010813 INQLFDLOJWPQMY-UHFFFAOYSA-N 434.558 3.688 0 40 IHAB CC(C)Oc1ccc(C(=O)NCC(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)cc1 13096500 RQBJBKKPHYZRQK-UHFFFAOYSA-N 447.539 3.827 0 40 IHAB O=C(NCCCSc1ccccc1)C1CCN(S(=O)(=O)c2ccccc2F)CC1 13134892 VLFPEYIZCKTXAN-UHFFFAOYSA-N 436.574 3.525 0 40 IHAB Cc1cccc(N(CC(=O)NCc2ccccc2)C(=O)CCC(=O)Nc2nccs2)c1 13151154 QHXVMMBLWNZARG-UHFFFAOYSA-N 436.537 3.520 0 40 IHAB Cc1ccc(C)c(NC(=O)Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3sccc32)c1 13533401 VTXZYWVSGTZTEZ-UHFFFAOYSA-N 437.496 3.668 0 40 IHAB COC(=O)[C@H](CC(=O)c1cccc(OC)c1)c1cc(=O)oc2cc(OC)c(Cl)cc12 13691009 DOVMPEAQJDNNEP-MRXNPFEDSA-N 430.840 3.993 0 40 IHAB Cc1ccc(OCC(=O)Nc2ccc(OCc3cc(=O)n4ccc(C)cc4n3)cc2)cc1 15865479 IMBDZVCHANWXSO-UHFFFAOYSA-N 429.476 3.908 0 40 IHAB CCOc1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 16691751 OYMKVQUXVKPQIE-UHFFFAOYSA-N 426.494 3.904 0 40 IHAB O=c1/c(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)sc2nc(-c3ccncc3)nn12 16734343 RILSBMJSGIXSTK-QNGOZBTKSA-N 448.511 3.613 0 40 IHAB CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NCC23CC4CC(CC(C4)C2)C3)cc1 17062389 FVASMRJRVFUNAZ-UHFFFAOYSA-N 446.613 3.623 0 40 IHAB COc1cccc2c1cc(C(=O)N[C@H]1CC[C@]3(CCC(=O)N3)[C@@H](c3ccccc3)C1)n2C 19740097 IRVDJKNDPBLBDG-UDJSKEQPSA-N 431.536 3.902 0 40 IHAB CCOC(=O)[C@@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@@H]1c1ccccc1Cl 19818455 ZHBWZUNVRAOTQU-VQTJNVASSA-N 441.915 3.842 0 40 IHAB Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(F)cc3)cc2)c1 20020241 DVTDRGOIPQPOLS-UHFFFAOYSA-N 428.485 3.630 0 40 IHAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccccc3Cl)cc2)n1 20454240 IZNWQKBUGOTPRO-CQSZACIVSA-N 446.916 3.645 0 40 IHAB O=c1c2c3c(sc2nc(NCCN2CCOCC2)n1Cc1ccccc1)CCCCC3 20503682 HZXDWSYNDPIGHK-UHFFFAOYSA-N 438.597 3.519 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)cc1 21248578 OITAPMITMVNZID-UHFFFAOYSA-N 442.459 3.933 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(NC(=O)CSc2ncccc2Cl)ccc1C 21726438 YQYXTASUQDTFGT-UHFFFAOYSA-N 427.979 3.805 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)[C@H](C)Oc1cccc(Cl)c1 22526848 SRMCUZJLIYLNAS-AWEZNQCLSA-N 438.933 3.539 0 40 IHAB COc1ccc(-n2ncc(C(=O)N3CCN(Cc4ccccc4)CC3)c2-n2cccc2)cc1 22569443 YTGKGWKDVAPKFL-UHFFFAOYSA-N 441.535 3.630 0 40 IHAB COc1ccc(COC[C@@H](O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 22923795 VGDGVAFLGVNWFD-SANMLTNESA-N 446.591 3.980 0 40 IHAB CC(C)(C)c1cc(NC(=O)CCCC(=O)c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1 22968576 PXGNJODNJKWFTE-CQSZACIVSA-N 437.587 3.593 0 40 IHAB CNS(=O)(=O)c1ccc(Br)c(C(=O)Nc2cc(C(C)(C)C)ccc2O)c1 24838249 HMMFKMPEEHPLQW-UHFFFAOYSA-N 441.347 3.613 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCSCc3ccsc3)C2)s1 28317870 HUUHNOSBBBHEGC-MRXNPFEDSA-N 444.669 3.568 0 40 IHAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(CN2CCCCCC2)cc1 30947479 IQELGWOBGNDALL-UHFFFAOYSA-N 441.597 3.516 0 40 IHAB COC(=O)c1ccc(N2CCCCC2)c(NC(=O)c2cc(OC)c(OC)c(OC)c2)c1 30952757 AQASOWDNYXKPBT-UHFFFAOYSA-N 428.485 3.742 0 40 IHAB C[C@H](Oc1ccc(Br)cc1)C(=O)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 32925902 IXFVOHLHNAWDQW-WMLDXEAASA-N 444.391 3.565 0 40 IHAB Nc1c(C(=O)NCc2ccccc2)nsc1C(=O)NCc1cccc(C(F)(F)F)c1 33171860 KMXYQGQAHFVVNF-UHFFFAOYSA-N 434.443 3.604 0 40 IHAB CC(=O)N1CCc2c(sc(NC(=O)C3(c4ccc(Cl)cc4)CCCC3)c2C(N)=O)C1 35586358 DUMOUNNSIYXVHW-UHFFFAOYSA-N 445.972 3.856 0 40 IHAB Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1nn(C)c2c1[C@@H](c1cccs1)CC(=O)N2 36705600 PUABYFDLAVSHAC-CYBMUJFWSA-N 433.493 3.567 0 40 IHAB Cc1c(C(=O)O[C@@H](C)C(=O)N(C)Cc2ccccc2)cnn1-c1ccc(C(F)(F)F)cn1 40040213 UFJSFCJIBARYPG-HNNXBMFYSA-N 446.429 3.798 0 40 IHAB COc1ccc(C2=NO[C@]3(CC(=O)N(c4ccc5ccccc5c4)C3=O)C2)c(OC)c1OC 40288497 UYXHIKUWWZIJEV-VWLOTQADSA-N 446.459 3.692 0 40 IHAB Cc1ccc(NC(=O)Cn2c(=O)n(CC(C)C)c(=O)c3ccccc32)c(Br)c1 40478635 BQQLOBGPROCVGC-UHFFFAOYSA-N 444.329 3.529 0 40 IHAB CCN1CCc2nc(-c3ccc(F)cc3)n(CC(=O)Nc3cc(C)ccc3C)c(=O)c2C1 49400688 WNKFUTXRFKQKDH-UHFFFAOYSA-N 434.515 3.683 0 40 IHAB CN(C(=O)Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2ccccc21)c1ccccc1 57473108 FKIUZKGUKIQBDB-UHFFFAOYSA-N 433.895 3.528 0 40 IHAB C[C@@H](NC(=O)CS(=O)(=O)c1ncc(-c2ccccc2)n1C1CC1)c1ccc(F)cc1 58027438 MVMLUVVHQUGUFI-OAHLLOKOSA-N 427.501 3.675 0 40 IHAB CN(Cc1cccnc1)C[C@@H]1CCCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 58310493 INUWSCFBQDIDQJ-KRWDZBQOSA-N 427.492 3.724 0 40 IHAB CSc1ccc([C@@H]2NC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C3=C2C(=O)OC3)cc1 71326900 VKQNWNCFLWEMTF-NRFANRHFSA-N 437.521 3.541 0 40 IHAB CNC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)c2ccccc2OC)CCO1 72389095 GFFPKTBBDRIEAF-HHHXNRCGSA-N 444.531 3.562 0 40 IHAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CC[C@@H](Oc3ccccc3Cl)C2)c1 84774004 LROAHZZMBHUNIR-QGZVFWFLSA-N 436.961 3.664 0 40 IHAB COc1cc(I)c(Cl)cc1C(=O)NCCC[C@@H]1CCC[C@H]1O 89420778 PPHHIPAERXJIBA-IINYFYTJSA-N 437.705 3.624 0 40 IHAB C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)c1cncc(F)c1 95465095 YGCHCVWKWZXDQK-CQSZACIVSA-N 439.940 3.930 0 40 IHAB CC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1 139080004 VNEJEINUHPNCKB-AWEZNQCLSA-N 449.290 3.731 0 40 IHAB CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccc(Br)cc1 222521385 ZRGQNZHPJOYOIH-CYBMUJFWSA-N 439.737 3.645 0 40 IHAB S=C1N[C@H](c2ccccn2)[C@H](c2ccn(C3CCCCC3)c2)N1CCN1CCOCC1 223163076 URRRCUHBDFATKO-PKTZIBPZSA-N 439.629 3.693 0 40 IHAB Cc1cc(C)cc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)c1 224076107 BSIVAIAFQRFUKK-UHFFFAOYSA-N 444.597 3.985 0 40 IHAB COc1ccc(CCC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC(C)C)cc1OC 225511642 RJSDULKTZKDBNT-IBGZPJMESA-N 426.557 3.887 0 40 IHAB Cc1ccc(CC(=O)N2CCO[C@@H](c3cc(CCOc4ccc(F)cc4)[nH]n3)C2)cc1C 257235735 GZDNFKYLWWKIMD-XMMPIXPASA-N 437.515 3.930 0 40 IHAB CC[C@@H](C(=O)N[C@H](C)c1cc(OC)ccc1OC)N(c1cc(C)ccc1C)S(C)(=O)=O 260815276 VLDGRAUKYTYKOM-XLIONFOSSA-N 448.585 3.743 0 40 IHAB COc1ccc(NC(=O)[C@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c(OC)c1 408558706 SFMGJCPXCBJMBX-NSHDSACASA-N 447.340 3.804 0 40 IHAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)cc1 408591632 IXCQXTIXNLUVLC-GOSISDBHSA-N 438.549 3.658 0 40 IHAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(F)c(Cl)c2)cc1Cl 408605650 NFBOLLZGUWLSSV-JTQLQIEISA-N 435.304 3.837 0 40 IHAB O=C(N[C@H]1C(=O)N/[N+](=C\c2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 409054871 OGQVLXXYTVFTGO-VNILXRMASA-O 440.857 3.634 0 40 IHAB COc1cc(CNC(=O)c2ccc3c(c2)NC(=O)C3(C)C)cc(Br)c1OC 555659573 NSEPFGQZOWJQCK-UHFFFAOYSA-N 433.302 3.626 0 40 IHAB O=C(NC[C@H](O)COc1ccccc1)N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 612604530 UYBSXSOWZVUOJT-REWPJTCUSA-N 448.498 3.656 0 40 IHAB CC(C)C[C@@H](CO)NC(=O)CN1CCCCCOc2ccccc2Oc2ncccc2C1 643576282 ZSMLDKSIYSECOY-NRFANRHFSA-N 441.572 3.762 0 40 IHAB CC(C)(C)OC(=O)N1CCC(CCCN2CCN(c3ccc(C(=O)O)cc3)CC2)CC1 2362803770 INRAZZHIASMVGL-UHFFFAOYSA-N 431.577 3.934 0 40 IHAB Cc1nn(C)cc1NC(=O)c1cc2nc3c(c(C(F)(F)F)n2n1)CCc1ccccc1-3 1088139 CJERKZJBXLPVGL-UHFFFAOYSA-N 426.402 3.808 0 40 IHAB COc1ccccc1CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)NCc1ccccc1 1360049 RNZYPPPQYLBZMV-UHFFFAOYSA-N 428.492 3.844 0 40 IHAB CCN(CC)c1ccc2c(CC(=O)C(F)(F)F)c(NC(=O)C(F)(F)F)c(=O)oc2c1 1790686 HQZUHRWDNANUEO-UHFFFAOYSA-N 438.324 3.814 0 40 IHAB COc1ccc(CC(=O)NC(=S)Nc2ccccc2C(=O)NC2CCCCC2)cc1 2136907 AFTNPCODAXHIAN-UHFFFAOYSA-N 425.554 3.813 0 40 IHAB CN1C(=O)[C@](O)(CC(=O)c2ccc(-n3cccc3)cc2)c2cc(Br)ccc21 4123021 UHCJTRPBZYPXJH-NRFANRHFSA-N 425.282 3.677 0 40 IHAB C[C@@H]1C[C@@H](C)CN(C(=O)Cn2c(SCC(=O)N3CCCCC3)nc3ccccc32)C1 4859313 NGRVPLFFOWJBDO-QZTJIDSGSA-N 428.602 3.645 0 40 IHAB C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1ccc(N3CCCCC3)cc1)C2=O 6249059 QQHDUVDCRPNDGZ-BXKMTCNYSA-N 426.561 3.752 0 40 IHAB Cc1cc2cc([C@@H](c3nnnn3Cc3ccccc3)N3CCCCC3)c(=O)[nH]c2cc1C 6321170 CJRDCBBBSXUQEK-QHCPKHFHSA-N 428.540 3.755 0 40 IHAB COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)N2Cc2ccco2)cc1 6973816 XIJHYZHPVKPESR-OAQYLSRUSA-N 449.463 3.663 0 40 IHAB CN(Cc1c(F)cccc1Cl)C(=O)COC(=O)c1cc(Br)ccc1N 8758400 DXZYCEVRNVQMCU-UHFFFAOYSA-N 429.673 3.639 0 40 IHAB CCSc1nc(NCC(C)C)c2cnn(CCNC(=O)c3ccc(F)c(F)c3)c2n1 8948880 MUEZZEVSOJSCFU-UHFFFAOYSA-N 434.516 3.714 0 40 IHAB C[C@H](CCc1ccccc1)NC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 9227762 SZFNFVJBWLXCHZ-CQSZACIVSA-N 429.369 3.897 0 40 IHAB O=C(Nc1nc2c(s1)CC[C@@H]2C(=O)NCC1CCCCC1)c1ccc2c(c1)OCO2 9300964 KNBNRZQYBAZRSI-HNNXBMFYSA-N 427.526 3.850 0 40 IHAB COc1cccc(NC(=O)[C@@H](Sc2nnnn2-c2ccc(O)cc2)c2ccccc2)c1 9512405 UXIGWMKYHUCTFH-FQEVSTJZSA-N 433.493 3.849 0 40 IHAB CCCCOc1ccc(C(=O)N(Cc2ccc(OC)cc2)[C@H]2CCS(=O)(=O)C2)cc1 9556400 NMXPFSNOIPRJOK-FQEVSTJZSA-N 431.554 3.704 0 40 IHAB O=C(c1ccccc1)c1ccc(OCC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)cc1 9579128 QWGJQNYJUDQHFA-UHFFFAOYSA-N 448.563 3.938 0 40 IHAB CC[C@H](C)[C@H](C(=O)OCc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 9665385 JBYQLYUPAYOHQD-AVRDEDQJSA-N 431.554 3.581 0 40 IHAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 9669625 PXRLWNHYILHZQX-OAHLLOKOSA-N 448.566 3.829 0 40 IHAB NC(=O)c1ccc(NC(=O)Cc2csc(NC(=O)Nc3cccc(Cl)c3)n2)cc1 9784908 MGWNRAKENBWPRO-UHFFFAOYSA-N 429.889 3.721 0 40 IHAB CC(C)c1ccc(-n2nnnc2SCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)cc1 9951943 BEDUVNXWFUNXJK-OAHLLOKOSA-N 436.541 3.642 0 40 IHAB CCOc1ccc(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)cc1 10128162 RTZWVZUZAGYFIY-DDFUWSPLSA-N 432.520 3.666 0 40 IHAB COc1ccc(-c2nc3n(n2)[C@H](C(=O)Nc2cccc(Cl)c2Cl)CC(=O)N3)cc1 10153486 ZHDLYIQQEPFIEG-AWEZNQCLSA-N 432.267 3.783 0 40 IHAB CCOc1ccc([C@H]2CCCN2C(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1 10217924 JBGONXHJWULGCR-AZUAARDMSA-N 448.610 3.911 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2ccc(OC)cc2OC)cc1 11549043 ZLLJJERRLJGSPN-OAQYLSRUSA-N 446.569 3.712 0 40 IHAB O=C(CSc1nc2c(=O)[nH]cnc2n1-c1ccccc1)Nc1ccc(F)c(Cl)c1 12377128 PGQVNCKYLKPWIS-UHFFFAOYSA-N 429.864 3.632 0 40 IHAB biogenic,in-vitro COc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)cc1OC 12560500 YYLGQBVHOXOEDC-UHFFFAOYSA-N 427.404 3.709 0 40 IHAB CCn1c2ccccc2c2cc(CN(C)C(=O)C3CCN(S(=O)(=O)CC)CC3)ccc21 12565294 KIGNYTJIZGZCSS-UHFFFAOYSA-N 441.597 3.835 0 40 IHAB CC(C)OCCCN1CC2=C(C1=O)[C@H](c1ccc(OCc3ccccc3)cc1)NC(=O)N2 12879454 QXQCUMLJMJMYMO-QHCPKHFHSA-N 435.524 3.531 0 40 IHAB O=S(=O)(c1ccc2oc(Nc3cc(Cl)cc(Cl)c3)nc2c1)N1CCOCC1 12986736 RDIVYRXLEPGAIV-UHFFFAOYSA-N 428.297 3.899 0 40 IHAB Cc1nc2ccc(NC(=O)[C@H]3CCCCN3C3=NS(=O)(=O)c4ccccc43)cc2s1 13163543 LSBLTNBMZNXXPQ-QGZVFWFLSA-N 440.550 3.547 0 40 IHAB Cc1ccc(-c2nc(COC(=O)c3ccc(CCNS(C)(=O)=O)s3)cs2)cc1 14200209 LJNVHHRBMLOEFL-UHFFFAOYSA-N 436.580 3.629 0 40 IHAB Clc1ccc2nnn(OCc3ccc(COn4nnc5ccc(Cl)cc54)cc3)c2c1 14352107 FTZNGDUBROPFTQ-UHFFFAOYSA-N 441.278 3.740 0 40 IHAB COC(=O)c1c(NC(=O)CSc2nc(C)c(C)c(=O)[nH]2)sc2c1CCCCCC2 15022370 PBTABJURSBQQGE-UHFFFAOYSA-N 435.571 3.625 0 40 IHAB COC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)cc1 15420503 YYCDLLATPLCDOP-UHFFFAOYSA-N 428.441 3.665 0 40 IHAB Cc1ccccc1-n1c(=S)sc2c(=O)[nH]c(SCC(=O)NC3CCCC3)nc21 16840443 VJBUVJYQRPNTTE-UHFFFAOYSA-N 432.596 3.964 0 40 IHAB O=C(CCn1c(=O)oc2ccccc21)Nc1nnc(SCc2ccc(F)cc2)s1 18118441 CPURLCJHAXMGBL-UHFFFAOYSA-N 430.486 3.906 0 40 IHAB CCOc1ccc(N2C(=O)C[C@H](N3CCN(c4ccc(Cl)c(Cl)c4)CC3)C2=O)cc1 18250521 PCFZJCAHORDDIY-FQEVSTJZSA-N 448.350 3.846 0 40 IHAB C[C@H](Oc1ccccc1F)C(=O)N1CCC(c2nc(O)cc(-c3nccs3)n2)CC1 19078071 RBFBTBMFKPYIKB-ZDUSSCGKSA-N 428.489 3.618 0 40 IHAB Cc1cc(C(F)(F)F)n2nc([C@@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)cc2n1 19116944 ZNVCIGDDBCBRGY-HNNXBMFYSA-N 428.411 3.721 0 40 IHAB Cc1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3ccccn3)c3nc4ccccc4n32)c(F)c1 20103583 IHOHGZPJZCRVBS-OAQYLSRUSA-N 429.455 3.996 0 40 IHAB CC(C)C(=O)Nc1cccc(C(=O)Nc2nnc([C@@H]3CC(=O)N(c4ccccc4)C3)s2)c1 20468357 QOOJSRHYECGGEG-MRXNPFEDSA-N 449.536 3.905 0 40 IHAB CC[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1)c1ccc(C)cc1 20489298 JNMDSVCMYSHKTH-QFIPXVFZSA-N 432.561 3.943 0 40 IHAB CC[C@H](Oc1ccccc1)C(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2 21894131 SPVWUDAZPDENPX-SFHVURJKSA-N 428.554 3.895 0 40 IHAB CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(OCC(=O)N2CCCCCC2)cc1 22232734 UYOSXLPGIMNCRA-UHFFFAOYSA-N 434.533 3.573 0 40 IHAB CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(Cl)cc2Cl)Oc2ccc(Cl)cc21 22528769 IFCPMMIRPPIOGD-OAHLLOKOSA-N 435.716 3.813 0 40 IHAB Cc1ccc(Nc2nc(N)nc(CN3CCN(Cc4c(F)cccc4Cl)CC3)n2)cc1 22785111 KDNUFBSBEGRYPF-UHFFFAOYSA-N 441.942 3.616 0 40 IHAB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(c2nnc3ccccn23)CC1 24326787 NQPXKNVVVCLGTJ-FQEVSTJZSA-N 439.947 3.543 0 40 IHAB O=c1/c(=C\c2ccc(Cl)c(Cl)c2)sc2nc([C@@H]3COc4ccccc4O3)nn12 27020664 FOOSHLSDLOPQAQ-MDNIKOHYSA-N 432.288 3.518 0 40 IHAB CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)Cc1ccc(Br)cc1 31246268 ACFALKQTXKWNOK-UHFFFAOYSA-N 443.263 3.942 0 40 IHAB COc1cc(NC(=O)[C@H]2CC(=O)Nc3c(-c4ccc(Cl)cc4)cnn32)cc(OC)c1 32101844 MHTUXYWPCWDERH-GOSISDBHSA-N 426.860 3.743 0 40 IHAB CC(C)CN1C(=O)c2ccc(C(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)cc2C1=O 32102429 ZUKGYJFXSVMTLL-UHFFFAOYSA-N 440.927 3.716 0 40 IHAB Cc1ccn2c(=O)cc(COc3ccccc3NC(=O)COc3ccccc3F)nc2c1 33067984 OWKFSXXAWBPQJD-UHFFFAOYSA-N 433.439 3.739 0 40 IHAB Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5c(Cl)cc(C)cc54)[C@@H]3C2=O)c(C)c1 35851704 ZVVZBSFKRQIODT-PBQROFAYSA-N 449.938 3.696 0 40 IHAB COc1ccccc1-n1ncc2c(C)nnc(SCC(=O)NCCc3ccccc3)c21 36705180 RSGSXJQKDFDGEP-UHFFFAOYSA-N 433.537 3.584 0 40 IHAB CCN(CC(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1cc(C)ccc1OC 39985659 ZMZCBWCLJUEYSQ-UHFFFAOYSA-N 430.448 3.672 0 40 IHAB COCCn1c(S[C@@H](C)c2nc(-c3cccnc3)no2)nc2cc(Cl)ccc2c1=O 40040817 POIXJUAFJZMMFS-LBPRGKRZSA-N 443.916 3.995 0 40 IHAB O=C(N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)c1cc(-c2ccco2)[nH]n1 40107855 YZBKICIKLJCRKT-KRWDZBQOSA-N 432.402 3.782 0 40 IHAB CC[C@H](C)NC(=O)[C@H]1CCCN(c2nc3c(-c4cccc(OC)c4)csc3c(=O)[nH]2)C1 49421327 HGLRQBNUMRZUNV-HOCLYGCPSA-N 440.569 3.791 0 40 IHAB CN1CC(Oc2ccc(Br)cc2)=NC(SCC(=O)Nc2ccccc2)=N1 57401434 SRQXDFVYTIWRDV-UHFFFAOYSA-N 433.331 3.815 0 40 IHAB O=C(c1cnn(Cc2ccccc2Cl)c1)N(CCO)Cc1ccccc1Br 62580474 RSSLOGUUVRVNSB-UHFFFAOYSA-N 448.748 3.982 0 40 IHAB COc1cccc(-c2nc3c4ccccc4n(CC(=O)c4ccc(F)cc4)c(=O)n3n2)c1 69321287 OUUDUYLMXVACPU-UHFFFAOYSA-N 428.423 3.742 0 40 IHAB COc1ccc2c(c1OC)C(=O)N1c3ccccc3-c3nc(=O)c(-c4ccccc4)nn3[C@@H]21 69701081 CTONKXKTFJZHAQ-DEOSSOPVSA-N 438.443 3.510 0 40 IHAB CNc1nc([C@@H]2CCCN2CC(=O)Nc2ccccc2-c2ccccc2)nc2c1CNCC2 72372364 ONWYIKKOUDRVMB-QHCPKHFHSA-N 442.567 3.607 0 40 IHAB N[C@@H](C(=O)NCC1CCC(c2ccnc(Nc3ccc(F)cn3)n2)CC1)c1ccccc1 72380015 DCLRZWISRJFEIB-CNXQINBVSA-N 434.519 3.844 0 40 IHAB CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 79016020 IHJGNCKISMSKDL-HSZRJFAPSA-N 438.549 3.992 0 40 IHAB O=C(N[C@@H](CO)c1ccc(Cl)c(F)c1)c1ccc(CNC(=O)c2cccs2)cc1 95992803 IAEYHOCYAHNEJZ-SFHVURJKSA-N 432.904 3.934 0 40 IHAB COc1ncc(C2(O)[C@@H]3CCC[C@@H]2CN(Cc2ccc(Cl)c(Cl)c2)C3)c(OC)n1 100149489 DBVJWZUYLJRMAV-HUUCEWRRSA-N 438.355 3.920 0 40 IHAB CCOCCCNC(=S)N1[C@@H]2CC[C@@H]1CC(NC(=O)NC13CC4CC(CC(C4)C1)C3)C2 100433892 WUWHNPFRCNXHHX-XMLQSWANSA-N 448.677 3.551 0 40 IHAB O=c1c2ccccc2ncn1C[C@H]1CC[C@H](C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)CC1 100797344 MDRVZJZQLWPFPS-SEDAZVQISA-N 436.600 3.584 0 40 IHAB C[C@H](c1nc2ccccc2s1)N(C)CC(=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 103296105 OVNONBJEWCHLPN-AEFFLSMTSA-N 443.594 3.509 0 40 IHAB CC[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 216274334 LVUSPPWJONUUJD-OAQYLSRUSA-N 443.569 3.614 0 40 IHAB COc1ccc(CCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)cc1C 222572259 YEIMBSZMHNMGDN-UHFFFAOYSA-N 446.569 3.758 0 40 IHAB COC(=O)c1cn(C(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)c2ccccc12 222592091 GQHOYRCXQGEKCP-ZDUSSCGKSA-N 434.901 3.576 0 40 IHAB CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc2c(c1)OCCO2 223722440 XCABELUSKZECDW-MRXNPFEDSA-N 430.932 3.597 0 40 IHAB COCCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(OC)cc1OC 224801392 RCMYOCLPQUHTHC-FCHUYYIVSA-N 438.553 3.724 0 40 IHAB CCC[C@](C)(O)[C@@H]1C[C@@]23C=C[C@@]1(OC)[C@]1(C)Oc4c(O)ccc5c4[C@]21CCN(C)[C@H]3C5 253504472 GGSNWFNWEAZKML-FPBGRDKFSA-N 425.569 3.554 0 40 IHAB biogenic,in-vitro COc1cc2c(cc1CN1CCO[C@@H](c3cccc(-c4cccc(C(N)=O)c4)n3)C1)CCC2 257212166 CCEYPHAKOHRPSC-AREMUKBSSA-N 443.547 3.918 0 40 IHAB O=C(c1ccccc1Cn1ccnc1)N1CCOC[C@H](Cc2ccc3ccncc3c2)C1 257236154 HAZWRMGUQFUOFG-OAQYLSRUSA-N 426.520 3.811 0 40 IHAB CC(=O)NCCCCCC(=O)N1CC[C@H]2O[C@H]3c4cccc(O)c4OC(C)(C)[C@@H]3C[C@H]2C1 257267513 MHPWHUSFHDZDMV-GBPFJNKXSA-N 444.572 3.554 0 40 IHAB Cc1c(CN2CCO[C@@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)[nH]n3)C2)cnn1C 257295789 QZWGGJKNUXSHCD-OAQYLSRUSA-N 449.477 3.665 0 40 IHAB Cc1cc(Nc2cc(C[C@H]3CCCN(C(=O)c4cccc(F)c4F)C3)nc(C)n2)[nH]n1 257321465 WBUKQQPJJDXNHS-OAHLLOKOSA-N 426.471 3.933 0 40 IHAB CN(C)c1ncc(-c2ccc(Cl)c(F)c2)c([C@H]2CCCN(C(=O)Cn3cccn3)C2)n1 257327524 XBRQBXFJXDPOTL-INIZCTEOSA-N 442.926 3.605 0 40 IHAB C[C@H]1CCC[C@@H](C)N1C(=O)c1c[nH]nc1C1CCN(C(=O)Cc2ccccc2F)CC1 257342314 ZOCNHAZCSIXMMV-CALCHBBNSA-N 426.536 3.901 0 40 IHAB C[C@@H]1CCCN(c2cc(Oc3ccccc3)nc(NC(=S)NC[C@H]3CCCO3)n2)C1 260717615 OMYUXQFWZQPFAV-SJLPKXTDSA-N 427.574 3.971 0 40 IHAB Cc1ccc(C(=O)N2CCC3(CC2)COc2ccccc2S(=O)(=O)N(C(C)C)C3)cc1 306127111 FOQFMCNKWQQPEK-UHFFFAOYSA-N 442.581 3.709 0 40 IHAB C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1ccccc1Br 408550162 AQGFBFOIBWRLNU-CYBMUJFWSA-N 433.327 3.908 0 40 IHAB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)c1cccs1 408642146 DORJAZPXTKQYOH-OYUDYFSCSA-N 442.924 3.673 0 40 IHAB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OC)c(OCc3ccccc3)c2)C1=O 409064446 PMMYGKWHEGOPRF-ONDHQXCVSA-N 427.478 3.872 0 40 IHAB COc1ccc(C(=O)Nc2ccc(C(=O)OCC(=O)c3ccc(OC(C)=O)cc3)cc2)cc1 409184989 ZUEKJFIWSQCDSY-UHFFFAOYSA-N 447.443 3.913 0 40 IHAB CCn1c(CC(=O)Nc2ccccc2)nnc1SCC(=O)Nc1cc(C)ccc1OC 409330783 MRUPXLCJSVWFSG-UHFFFAOYSA-N 439.541 3.527 0 40 IHAB COc1cccc(N2CCN(C(=O)NCC3(c4cccc(Cl)c4)CCOCC3)CC2)c1 517594766 FFZCBGVBHRDGIU-UHFFFAOYSA-N 443.975 3.929 0 40 IHAB CCn1nccc1/C=C\C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cccc(F)c1 585079873 SFDTWHYIOGRSOY-QJRAZLAKSA-N 428.508 3.876 0 40 IHAB O[C@@H](COc1ccc(Br)cc1)CN1CCN(Cc2ccc(Cl)cc2)CC1 703741 VXSZACVDGSJGDM-LJQANCHMSA-N 439.781 3.660 0 40 IHAB Nc1nc(CSC(=S)N2CCN(c3ccccc3)CC2)nc(Nc2ccccc2)n1 1107378 MJUBMNNENZFDBB-UHFFFAOYSA-N 437.598 3.538 0 40 IHAB COc1ccc(/C=C(\NC(=O)c2ccc(OC)c(OC)c2)C(=O)N2CCCCCC2)cc1 1154507 LVNNXJJKWZBAFS-PGMHBOJBSA-N 438.524 3.886 0 40 IHAB COc1ccc(NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@H](C(C)(C)C)C4)cc1 1321045 KQDVTKGVWJCKNK-ZDUSSCGKSA-N 426.542 3.651 0 40 IHAB COc1cc(-c2noc([C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)n2)cc(OC)c1OC 1364158 BOIWHVSESLGKHY-HNNXBMFYSA-N 441.459 3.921 0 40 IHAB CCOC(=O)C(C(=O)OCC)=c1ccc2c(c1)N1C3=C(CCCC3)C[C@H]3CCCC[C@]31N=2 2105681 KWADPUSLUQDVEO-NIYFSFCBSA-N 436.552 3.521 0 40 IHAB biogenic CC(C)(C)NS(=O)(=O)c1ccc2oc3ccc(S(=O)(=O)NC(C)(C)C)cc3c2c1 4171975 HUDQKOGGCSZOET-UHFFFAOYSA-N 438.571 3.740 0 40 IHAB CCN1CCC[C@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=S)NCC(C)C 4217064 SDHVSIPYBFUEHI-NRFANRHFSA-N 428.646 3.962 0 40 IHAB CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)[C@H](C)N1C[C@@H](C)C[C@H](C)C1 5067085 ZEXLUBLZRNFVBG-KKUMJFAQSA-N 431.533 3.667 0 40 IHAB CCOC(=O)c1c(NC(=O)CSc2nnc(-c3cccnc3)o2)sc(C(C)=O)c1C 6551044 FXGGPVNDDMHFBV-UHFFFAOYSA-N 446.510 3.612 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CSc2nnc3c4c(C)c(C)sc4ncn23)cc1 6599888 JBZDHGOKAUNNHL-UHFFFAOYSA-N 441.538 3.863 0 40 IHAB CCOC(=O)c1c(NC(=O)CSc2nnc(-c3ccncc3)n2CC)sc(C)c1C 6878305 XTJKECRLPAWHOQ-UHFFFAOYSA-N 445.570 3.946 0 40 IHAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CN2C(=O)CC3(CCCC3)C2=O)cc1 8745949 CGFFFVQGUSANCU-JOCHJYFZSA-N 445.519 3.692 0 40 IHAB Cc1cccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(Cc3cc(C)ccc3C)c(=O)n2C)c1 9089130 NXCLMBPSRKGESD-GOSISDBHSA-N 443.551 3.658 0 40 IHAB Cc1ccc(NC(=O)NC(=O)CSc2ncnc3c2cnn3-c2ccccc2)c(C)c1 9245007 PBODAEZQBMQSFH-UHFFFAOYSA-N 432.509 3.873 0 40 IHAB COc1ccc(NC(=O)CSc2ccc3nnc(-c4cccc(F)c4)n3n2)cc1OC 9415026 AQBNFUQLUZMCLG-UHFFFAOYSA-N 439.472 3.678 0 40 IHAB COc1ccc(-c2nnc3ccc(SCC(=O)Nc4ccccc4C)nn23)cc1OC 9415350 HEKSXLMZUJPVCY-UHFFFAOYSA-N 435.509 3.848 0 40 IHAB O=C(O)c1cccc(Nc2cnn(C34C[C@@H]5CC(C[C@@H](C5)C3)[C@@H]4C(=O)O)c(=O)c2Cl)c1 9429186 QUJOCYYXDDYAMA-QCYXHCCESA-N 443.887 3.575 0 40 IHAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 9478095 BLSAZLTVTKKDTJ-KDOFPFPSSA-N 447.557 3.808 0 40 IHAB Cc1ccc(CCCNC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 10110464 FFTJYGWRKYHQIL-UHFFFAOYSA-N 429.369 3.817 0 40 IHAB O=C(CCc1ccc(-c2ccccc2)o1)N1CCC(NS(=O)(=O)c2ccccc2)CC1 11159327 ACHAVXCIURMOSW-UHFFFAOYSA-N 438.549 3.849 0 40 IHAB CCc1cc(C(F)(F)F)n2nc([C@H]3CCCCN3C(=O)c3cc(C)c(C)[nH]c3=O)cc2n1 12230214 MUDHLTYVKBOJNO-QGZVFWFLSA-N 447.461 3.983 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(N3CCCCC3)cc2)cc1 12633586 GHBJLDOKHBIGQK-JOCHJYFZSA-N 427.570 3.777 0 40 IHAB O=C(Nc1nc(CN2CCOCC2)cs1)c1ccc(NC(=O)c2cccs2)cc1 12675562 XFNBVVRMSROSGX-UHFFFAOYSA-N 428.539 3.541 0 40 IHAB CCOc1ccc2[nH]c(=O)c(CN(CCCO)C(=O)Nc3cccc(Cl)c3)cc2c1 12708267 YOWMTUCYJKYTEW-UHFFFAOYSA-N 429.904 3.997 0 40 IHAB COc1cc(Br)c(OC)c(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)c1 12759294 GJDWAWRFJGFWJO-KRWDZBQOSA-N 425.298 3.638 0 40 IHAB Cc1ccc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)c(O)c1 12776750 LGOMDAKMJQJWMM-UHFFFAOYSA-N 432.523 3.605 0 40 IHAB Cc1cccc(NC(=O)CN2CCN(C(=O)/C=C/c3ccc(F)c(Cl)c3)CC2)c1C 12796774 QXBWZPNFUQLOCF-VQHVLOKHSA-N 429.923 3.892 0 40 IHAB CC[C@@H](C)N(C(=O)c1csnn1)[C@H](C(=O)NCc1ccc(F)cc1)c1ccccc1 12873998 JNPNMRIPMAZFBN-QRWLVFNGSA-N 426.517 3.976 0 40 IHAB COc1cccc(NC(=O)CN2CCCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1 12927803 QIHVQJURLORUOI-UHFFFAOYSA-N 442.869 3.913 0 40 IHAB CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N3CCCc4cc(C)ccc43)CC2)c1 13018571 RTUYNJNGNCHULV-UHFFFAOYSA-N 440.565 3.578 0 40 IHAB COc1ccc(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1S(=O)(=O)NC(C)C 13110167 UORZSOFXGLQBIC-LRYXAPPNSA-N 434.602 3.717 0 40 IHAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CN1C(=O)C(=O)c3cc(F)ccc31)CC2 13115243 NCRLFKLYTPIYDX-XMMPIXPASA-N 446.478 3.977 0 40 IHAB COCCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=O)c1ccc(C(C)(C)C)cc1 13512896 ROQZTZNTQDJFNU-UHFFFAOYSA-N 436.508 3.843 0 40 IHAB CS(=O)(=O)N1CCC(C(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)CC1 13704771 IASVWKWIUIIHQZ-UHFFFAOYSA-N 434.370 3.727 0 40 IHAB COc1ccc([C@@H]2CCCCCN2CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)cc1 15105801 KEYCYOFURKQXAM-IBGZPJMESA-N 425.485 3.689 0 40 IHAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)c2ccc(Br)s2)CC1 15175572 GBASOQKFEQCAOX-UHFFFAOYSA-N 437.315 3.730 0 40 IHAB COC(=O)C[C@H](NS(=O)(=O)c1cc(C)ccc1C)c1ccc(Br)cc1 15361857 GXXDWXTZNPSJRT-INIZCTEOSA-N 426.332 3.649 0 40 IHAB Cc1ccccc1OCCSc1nnc(Cc2c(C)nc3c(C)cccn3c2=O)n1C 15859251 DGXGWPJIBFQKSS-UHFFFAOYSA-N 435.553 3.510 0 40 IHAB O=S(=O)(Nc1cccc(Cl)c1)c1ccc(O)c(NS(=O)(=O)c2ccccc2)c1 16130958 WZZRBXQJFSDIBF-UHFFFAOYSA-N 438.914 3.647 0 40 IHAB Cc1ccc(N2C(=O)N(CN3CCN(c4cccc(C(F)(F)F)c4)CC3)C(=O)[C@@H]2C)cc1 16694963 JGNGXNWWMIDYCM-KRWDZBQOSA-N 446.473 3.951 0 40 IHAB CCNS(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)cc1 16806066 VRFAKDHHSJBUOT-UHFFFAOYSA-N 432.505 3.847 0 40 IHAB CCOc1ccc(N2C(=O)[C@H]3Sc4[nH]c(=O)sc4[C@@H](c4ccccc4)[C@H]3C2=O)cc1 18213318 HOWMAEFMTWUHGU-JZXOWHBKSA-N 438.530 3.631 0 40 IHAB CC1CCN(C(=O)CN2CCC([C@@H]3CC=CCN(CCc4ccccc4)C3=O)CC2)CC1 19698371 VMHBBGYAAJHHEI-VWLOTQADSA-N 437.628 3.604 0 40 IHAB O=C(Cn1cc(NC(=O)c2ccc(F)cc2)cn1)NCC1(c2ccccc2Cl)CC1 19749416 MXWGHSIRCIUNMM-UHFFFAOYSA-N 426.879 3.776 0 40 IHAB COc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(C)cc3)c3nc(C)ccc3c2=O)cc1 20579648 RSMBHNWUYYIKMU-UHFFFAOYSA-N 441.487 3.892 0 40 IHAB Cc1nc(COc2ccc(C(=O)NCC3(N4CCOCC4)CCCCC3)cc2)cs1 20938083 VFLGOUULZKXLPL-UHFFFAOYSA-N 429.586 3.795 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc2nnc(SCc3cc(Cl)ccc3OC)n2c1 22069496 LYIBYECMZIQRCL-UHFFFAOYSA-N 440.978 3.714 0 40 IHAB COc1ccc([C@H](c2sc3nc(C)nn3c2O)N2CCN(Cc3ccccc3)CC2)cc1 22784257 WSCZZVYCTJGVJC-OAQYLSRUSA-N 449.580 3.721 0 40 IHAB CC(C)Cn1c(=O)c2ccccc2n(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)c1=O 23126749 NDAANSPIUPNERP-UHFFFAOYSA-N 444.413 3.936 0 40 IHAB CN(Cc1ccccc1N1CCOCC1)C(=O)NCc1ccc(OCC(F)(F)F)cc1 23392438 XRMWXYLGWBVPRS-UHFFFAOYSA-N 437.462 3.806 0 40 IHAB CCC(CC)[C@@H](CNC(=O)C1C[C@@H]2CC[C@H](C1)C21SCCS1)N1CCOCC1 24758819 HCVBGTMVNGGDQG-RAFMOHDBSA-N 426.692 3.852 0 40 IHAB O=C(CCc1ncc(-c2ccccc2F)o1)NC[C@H](c1ccc(F)cc1)N1CCOCC1 25639539 YAGMMFZOYSIOCM-OAQYLSRUSA-N 441.478 3.742 0 40 IHAB Cc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c(Cl)cc1Br 32602096 GJOMIOKFKPZCBG-UHFFFAOYSA-N 429.767 3.922 0 40 IHAB CSc1ccc(-c2noc(Cn3cnc4c(cnn4-c4ccc(C)cc4)c3=O)n2)cc1 33293062 REMBNGLBQXIPDD-UHFFFAOYSA-N 430.493 3.711 0 40 IHAB COc1ccccc1-n1c(SCC(=O)Nc2cccc(O)c2)nnc1-c1cccnc1 35289311 NBDPTXALKMKKKC-UHFFFAOYSA-N 433.493 3.774 0 40 IHAB O=C(N[C@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 36703057 VDSNERPRHTXNHV-NJSNPTHGSA-N 435.612 3.585 0 40 IHAB COc1cc(C(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)cc(OC)c1Br 40072040 DWARJVTWKHNNRF-OAHLLOKOSA-N 449.301 3.836 0 40 IHAB O=C(NC1CCN(C(=O)c2cn(-c3cccc(Cl)c3)nn2)CC1)c1ccccc1Cl 49406203 OWUAQSCEPVINEE-UHFFFAOYSA-N 444.322 3.609 0 40 IHAB CN(Cc1cccc(Cl)c1Cl)C(=O)CN1C(=O)Cn2c(cc3ccccc32)C1=O 58008129 HPNVVCFMVVUKLU-UHFFFAOYSA-N 430.291 3.589 0 40 IHAB C[C@@H](NC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)c1cccc(Br)c1 58166202 TXESGCRIRJVRTP-GFCCVEGCSA-N 426.336 3.582 0 40 IHAB O=S(=O)(N[C@H](Cn1cncn1)c1ccccc1)c1ccc(Cl)c(C(F)(F)F)c1 58231545 NLWALNUWPLSDRU-MRXNPFEDSA-N 430.839 3.670 0 40 IHAB Cc1sc(=O)n(CC(=O)NCc2cccc(Cn3ccnc3)c2)c1-c1ccc(F)cc1 58292363 OFGDFXWZZODKIC-UHFFFAOYSA-N 436.512 3.586 0 40 IHAB COc1ccc(CCC(=O)N2CCC(c3nc(-c4ccc5c(c4)OCO5)no3)CC2)cc1 67205972 SFQAGCYNBMZUNY-UHFFFAOYSA-N 435.480 3.813 0 40 IHAB CSc1nc2cc(C)n(CC(=O)NCCc3ccc(Cl)cc3)c2c(=O)n1CC(C)C 67320035 JMYVISTUFXLNBM-UHFFFAOYSA-N 447.004 3.897 0 40 IHAB Cc1ccc(-c2csc3ncnc(N4CCN(c5ccnc(N(C)C)n5)CC4)c23)cc1 72292437 PKVMFHKFRCSQQK-UHFFFAOYSA-N 431.569 3.849 0 40 IHAB O=C1N[C@@]2(COC3(CCN(Cc4ccc5nccnc5c4)CC3)C2)Nc2ccc(Cl)cc21 72325626 RODAHFAHKWKTII-DEOSSOPVSA-N 449.942 3.590 0 40 IHAB O=S1(=O)N[C@@H](C2CCN(Cc3[nH]c4ccccc4c3Cl)CC2)Nc2ccccc21 72338953 SHZNTROASFPKNO-NRFANRHFSA-N 430.961 3.763 0 40 IHAB CN(C)CCOc1ccccc1C(=O)N1CCC[C@@H]1c1cccc(Nc2cnccn2)n1 72375581 MBADWGJNPQHZAI-HXUWFJFHSA-N 432.528 3.533 0 40 IHAB Cn1cc(-c2cc(C(=O)N3CCC(c4onc5c4C[C@@H](C(C)(C)C)CC5)CC3)n[nH]2)cn1 72392433 BYDRYLHVAZWRKG-KRWDZBQOSA-N 436.560 3.969 0 40 IHAB COC(=O)c1ccc(-c2ccc([C@@H]3c4c(c5ccccc5oc4=O)O[C@H]3C(=O)OC)o2)cc1 79189710 UHFZHLOXLYOFEV-DENIHFKCSA-N 446.411 3.906 0 40 IHAB biogenic CCOC(=O)c1cn(C)nc1NC(=O)CSc1cc(C)c(Br)cc1C 95462391 SHBPBVAGLAFYAR-UHFFFAOYSA-N 426.336 3.707 0 40 IHAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)/C=C\c1cc(Br)ccc1OC 96603302 KYGNVVYHMJYMCB-FLIBITNWSA-N 442.313 3.756 0 40 IHAB CC(C)COC(=O)N1CCC(N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 97234048 VXGCKYASIGVDRB-GOSISDBHSA-N 428.360 3.945 0 40 IHAB Cc1cccc2s/c(=N/C(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)n(C)c12 100821259 NQDBNJDETICJMQ-GHVJWSGMSA-N 443.594 3.854 0 40 IHAB CCOc1cc(C)ccc1OCc1nnc(SCC(=O)Nc2ccccc2OC)n1C 101188700 XGDYBUJLVGDIJL-UHFFFAOYSA-N 442.541 3.841 0 40 IHAB CC(C)COC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OCC(C)C)[C@@H]1c1ccc(Cl)cc1 102700051 PCHLMRSRHSVUTR-QTDGGUCWSA-N 438.948 3.778 0 40 IHAB COc1ccc(Cl)cc1N([C@@H](C)C(=O)N[C@@H](C)c1cc(C)ccc1C)S(C)(=O)=O 113941256 DTEPEKPVLVJTPO-HOTGVXAUSA-N 438.977 3.997 0 40 IHAB COc1ccc(NC(=O)[C@@H](C)N(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1OC 220428470 GVJAAHWHSRTTGP-LLVKDONJSA-N 447.340 3.804 0 40 IHAB COc1ccc(CN(C)S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCCC3)c2)cc1 223849583 NRRHNFSAGMEPMG-UHFFFAOYSA-N 446.569 3.541 0 40 IHAB Cc1ccc(C(=O)NCCOc2ccccc2Cl)cc1S(=O)(=O)N1CCCCC1 224021309 XGIRXHJMKVAHEQ-UHFFFAOYSA-N 436.961 3.632 0 40 IHAB CCCC[C@H](CC)CNC(=O)CCCN(c1cc(OC)ccc1OC)S(C)(=O)=O 224718392 YGSUROPEBCSDSM-KRWDZBQOSA-N 428.595 3.583 0 40 IHAB COc1ccccc1N(Cc1ccc(C(=O)NCC2CCCCC2)cc1)S(C)(=O)=O 224742475 VMHHDIHXSXHDQH-UHFFFAOYSA-N 430.570 3.972 0 40 IHAB Cc1cccc(OCCNC(=O)CCCN(c2cccc(OC(C)C)c2)S(C)(=O)=O)c1 224909531 GQEFBHLOKNEKOK-UHFFFAOYSA-N 448.585 3.524 0 40 IHAB CC(C)Sc1ccc(CC(=O)NCCc2nc3c(c(C(F)(F)F)n2)COCC3)cc1 225581026 QJCHNMVMFLCDCK-UHFFFAOYSA-N 439.503 3.970 0 40 IHAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)Nc3ccccc3C(F)(F)F)s2)cc1 225624841 UKRHHVZGISSZML-UHFFFAOYSA-N 442.444 3.918 0 40 IHAB O=C1CC2(CCN(S(=O)(=O)c3ccccc3)CC2)Oc2ccc(Br)cc21 225823273 NVQDYBAVOFUHMO-UHFFFAOYSA-N 436.327 3.638 0 40 IHAB CC[C@H](C)C(=O)N1CCC[C@@H]1c1cc2nc(C)c(CCC(=O)N3CCCC3)c(C)n2n1 257257859 KRJZIZXNVPLOAK-HRAATJIYSA-N 425.577 3.611 0 40 IHAB COc1ccc(CNC(=O)CN2CCC[C@](O)(COc3cc(C)ccc3Cl)CC2)cc1 257261938 LJJLVYJJHLWSGC-XMMPIXPASA-N 446.975 3.569 0 40 IHAB O=C(c1ccccc1CN1CCOCC1)N1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 257262700 LMMDZQNUNWQPRB-AZGAKELHSA-N 433.596 3.646 0 40 IHAB O=C1CO[C@@]2(CCCN(C(=O)C3(c4ccccc4)CCOCC3)CC2)CN1c1ccccc1 257294598 QUVVJLLFZUPKKN-AREMUKBSSA-N 448.563 3.550 0 40 IHAB O=C(Cn1ncc2ccccc2c1=O)N1CCC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1 257318611 VORXPWWXXDKIMO-LJQANCHMSA-N 446.482 3.521 0 40 IHAB O=C(NC1CCCC1)C1=NO[C@]2(C1)CN(Cc1ccccc1)CC[C@@H]2NCc1ccccc1 306136382 PSBPBXABMBDRSF-AHKZPQOWSA-N 446.595 3.625 0 40 IHAB C[C@H](Oc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1)C(=O)NC1CCCCC1 408596626 XFYUERFKEQHMQI-MSOLQXFVSA-N 430.570 3.942 0 40 IHAB COc1cc(OC)c(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(OC)c1 408932099 UARINGOVUCJGTH-ODLFYWEKSA-N 442.493 3.696 0 40 IHAB CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCC(=O)N[C@H](C)c1ccccc1 409062212 PWSCVNMNMUDDOL-QGZVFWFLSA-N 437.569 3.506 0 40 IHAB CCOc1cc(/C=C2/NC(=O)N(C)C2=O)ccc1OCc1ccc(Br)cc1 409195479 VKNCLOCRMXNXKK-MHWRWJLKSA-N 431.286 3.949 0 40 IHAB NC(=O)[C@@H](Cc1ccc(F)cc1)Sc1nc2ccccc2c(=O)n1-c1ccccc1F 543152550 YYQXVTIQFCJWOI-HXUWFJFHSA-N 437.471 3.853 0 40 IHAB O=C(CCc1nc(O)c2ccccc2n1)Nc1n[nH]c(-c2cccc(C(F)(F)F)c2)n1 590816567 XRIYRQBLXXSUIV-UHFFFAOYSA-N 428.374 3.711 0 40 IHAB COc1ccc(C2(CNC(=O)N(Cc3ccco3)C3CCN(C)CC3)CCOCC2)cc1 619416249 CWQFMQDJLRBRFH-UHFFFAOYSA-N 441.572 3.642 0 40 IHAB CCCn1ccnc1CN1CC[C@@H]2NC(=O)COc3ccc(F)cc3CCCC[C@@H]2C1 2037988744 GUQNASVZIGZTKL-CTNGQTDRSA-N 428.552 3.544 0 40 IHAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(OC(C)C)cc3)cc2)n1 888855 FFAVTDNIBMNQDJ-UHFFFAOYSA-N 440.525 3.934 0 40 IHAB O=C(CSc1nnc(-c2ccncc2)n1C[C@H]1CCCO1)Nc1cccc(Cl)c1 915378 FRKDHMHHPPJIPQ-QGZVFWFLSA-N 429.933 3.903 0 40 IHAB CCOc1cc([C@@H]2NC(=S)N(C)C(C)=C2C(=O)OC)ccc1OC(=O)c1ccccc1 1467268 IJHCNRSFGPOSKC-FQEVSTJZSA-N 440.521 3.613 0 40 IHAB O=S(=O)(c1ccccc1)N1CCN(c2ncnc3sc(-c4ccccc4)cc23)CC1 2637348 HKUYAPIKBDUXFW-UHFFFAOYSA-N 436.562 3.869 0 40 IHAB aggregator O=C(COC(=O)COc1ccccc1)Nc1ccc(Br)cc1Br 3237689 JXHBXQUWUHASDJ-UHFFFAOYSA-N 443.091 3.772 0 40 IHAB COc1ccc(CNC(=O)COc2ccc(Br)cc2Br)cc1 3515860 SAWZHQAFXDMRJQ-UHFFFAOYSA-N 429.108 3.915 0 40 IHAB CCCCOCCOCCN(CCOCCOCCCC)CCOCCOCCCC 5590944 RULYNRDLKTTWGC-UHFFFAOYSA-N 449.673 3.788 0 40 IHAB COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CCC[C@@H](C)C3)cc2c1 6283150 HRASPKUOFAMJDC-ZHRRBRCNSA-N 436.560 3.850 0 40 IHAB Cc1cccc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)N3CCC(C)CC3)c(=O)[nH]c12 6444084 OJKYXKGTUJJZKH-HSZRJFAPSA-N 446.530 3.832 0 40 IHAB Cc1ccccc1N1C[C@@H](C(=O)Nc2nnc(SCc3cccnc3)s2)CC1=O 8824627 CXHXIQIISLMHCC-HNNXBMFYSA-N 425.539 3.525 0 40 IHAB COc1ccc(CNC(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 8902033 CAMHZATYPCQNCC-UHFFFAOYSA-N 430.570 3.509 0 40 IHAB COc1cc([C@H]2CC(c3cc(Cl)ccc3OC(C)=O)=NN2C(C)=O)ccc1OC(C)=O 8914178 DBZYQZNFXUYSMG-LJQANCHMSA-N 444.871 3.897 0 40 IHAB COc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccc(OC)c(OC)c3)c3ccccc32)cc1 8919019 CIUSDSIIEPFPOQ-SANMLTNESA-N 447.487 3.720 0 40 IHAB Cc1nnnn1/C(=C\c1ccccc1)C(=O)N1CCC(c2nc3ccccc3s2)CC1 9254399 ROEBRAXNAVUIAB-HKWRFOASSA-N 430.537 3.996 0 40 IHAB CS(=O)(=O)Nc1cccc(C2=NN(C(=O)c3cccc(F)c3)[C@@H](c3ccco3)C2)c1 9392200 KQZVXXKRXKHSEI-LJQANCHMSA-N 427.457 3.782 0 40 IHAB Cc1ccc(S(=O)(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)C[C@H]2CCCO2)cc1 9487236 VSQLJGCEYQPPSN-HXUWFJFHSA-N 426.538 3.515 0 40 IHAB C[C@H](OC(=O)/C=C/c1ccco1)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 9703431 WKLULOOCBLGPBU-DYLGSBMWSA-N 438.402 3.719 0 40 IHAB O=C1Cc2cc(C(=O)CSc3nnc(-c4ccncc4)n3-c3ccc(F)cc3)ccc2N1 9782443 WTHCXTHSJQUVHM-UHFFFAOYSA-N 445.479 3.938 0 40 IHAB COc1cc2c(cc1/C=C/C(=O)N1CCC(n3c(=O)[nH]c4ccccc43)CC1)O[C@H](C)C2 9796164 FFLKURMJNXYIFJ-KXPUMZMLSA-N 433.508 3.539 0 40 IHAB CC(C)CCn1c(=O)c2ccccc2n2c(CCC(=O)N[C@H](C)c3ccccc3)nnc12 9831591 BSFIQXLSGPKXIZ-GOSISDBHSA-N 431.540 3.900 0 40 IHAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cn(CC(=O)O)c4ccccc34)C2=O)cc1 9851429 KMNJSHVBBSEWMH-GRSHGNNSSA-N 449.488 3.709 0 40 IHAB CNc1nnc(SCC(=O)c2cc(C)n(C[C@H]3COc4ccccc4O3)c2C)s1 9862010 MWVNWJSAYOOGOL-AWEZNQCLSA-N 430.555 3.813 0 40 IHAB CCC(=O)Nc1cc2c(cc1C(=O)c1ccccc1I)OCCO2 10035046 IESLBSLUEQKESP-UHFFFAOYSA-N 437.233 3.642 0 40 IHAB Cc1cc(I)ccc1NC(=O)c1cccc(NS(C)(=O)=O)c1C 10314739 NDFGYCYAYFEZIM-UHFFFAOYSA-N 444.294 3.532 0 40 IHAB CCCc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@H](c3cccs3)C(C)C)C2=O)cc1 10930825 IXQCNKRIAJHQNZ-REWPJTCUSA-N 427.570 3.981 0 40 IHAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)COC(=O)c1sccc1-c1ccccc1 10986426 PNCHJUHEVWUGMD-UHFFFAOYSA-N 426.469 3.808 0 40 IHAB Cc1cc(NC(=O)[C@H](C)Sc2nnc(CN3CCCCC3)n2-c2ccc(F)cc2)no1 12636519 KUOCOBRLMLVLFH-HNNXBMFYSA-N 444.536 3.808 0 40 IHAB Cc1cccc2cc([C@@H](c3nnnn3CCc3ccccc3)N3CCC[C@@H](C)C3)c(=O)[nH]c12 12637549 IYAMYDGJJLKJQR-KOSHJBKYSA-N 442.567 3.887 0 40 IHAB CN(C)[C@@H](CNC(=O)c1ccccc1I)c1ccccc1Cl 12748257 IULJHMWDNQDULO-INIZCTEOSA-N 428.701 3.977 0 40 IHAB CCOC(=O)Cc1nnc(SCC(=O)c2c[nH]c3ccccc23)n1Cc1ccccc1 12848997 MADFUPKQOHVGOR-UHFFFAOYSA-N 434.521 3.888 0 40 IHAB CCCCC[C@H](C)NC(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCC3)=NC2=O)cc1 12902769 WVSHDPASHXJIKF-LPHOPBHVSA-N 444.601 3.808 0 40 IHAB CCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1 12912382 JULNGOQHZOUBRN-UHFFFAOYSA-N 428.554 3.613 0 40 IHAB CCN(Cn1nc(Nc2ccc(C)c(Cl)c2)sc1=S)[C@@H]1CCS(=O)(=O)C1 12993341 WONNEEPLDNJMQL-CYBMUJFWSA-N 433.024 3.846 0 40 IHAB Cc1ccc(NC(=O)CN2CCSc3ccccc32)cc1S(=O)(=O)N1CCCCC1 13068860 JHEGQRONKWJJKG-UHFFFAOYSA-N 445.610 3.720 0 40 IHAB COc1ccc(-c2noc(CCC(=O)Nc3ccc(I)cc3)n2)cc1 14217376 ZFOOURCIAJTHBN-UHFFFAOYSA-N 449.248 3.921 0 40 IHAB CCc1ccccc1NC(=O)CN(C)C(=O)c1nn(-c2ccccc2C(F)(F)F)cc1O 14244202 NAAAIDLQYONQJT-UHFFFAOYSA-N 446.429 3.870 0 40 IHAB Cc1cc(C(C)(C)C)ccc1OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 14664412 RBEZRRUNJVYYGR-UHFFFAOYSA-N 435.517 3.672 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N[C@H](C)c1ccc(F)cc1 15649107 UPIJZEPCBQGEII-MRXNPFEDSA-N 434.533 3.890 0 40 IHAB CN(C)[C@H](CNC(=O)c1cc(-c2ccc3c(c2)OCCO3)on1)c1ccccc1Cl 15859656 FHSPDNYJZIMYKU-GOSISDBHSA-N 427.888 3.799 0 40 IHAB COc1ccc(CNC(=O)Cn2nc(-c3ccccc3OC)n(-n3cccc3)c2=S)cc1 16807110 OGVIVXSMCNPBDL-UHFFFAOYSA-N 449.536 3.528 0 40 IHAB CC1(C)Cc2c(cnn2Cc2ccccc2)[C@@H](NC(=O)CCn2nnc3ccccc32)C1 19461680 YXJPWSIJQQWTKN-NRFANRHFSA-N 428.540 3.896 0 40 IHAB CCN1CCN(C(=O)c2cncn2CC)C[C@@H](Cc2ccc(-c3ccccc3)cc2)C1=O 19578420 PCSMOMGYSBWPIV-HSZRJFAPSA-N 430.552 3.733 0 40 IHAB CNC(=O)[C@@]1(Cc2ccccc2-c2ccc(F)cc2)CN(C(=O)C2CCCCC2)CCO1 19591800 WEEIEJCJFWHWPT-AREMUKBSSA-N 438.543 3.959 0 40 IHAB Cc1cccc(CCN2C(=O)CCc3c(C)nc([C@@H]4CCN(C(=O)C5CCC5)C4)nc32)c1 19704856 IOVHDCJBEJQWPV-OAQYLSRUSA-N 432.568 3.731 0 40 IHAB Cc1nc([C@]2(O)CCCN(Cc3ccnn3C)CC2)sc1CCOc1ccccc1F 19738720 UFSMLAAELUBDSS-QHCPKHFHSA-N 444.576 3.819 0 40 IHAB Cc1noc(C)c1CC(=O)N1CCC(c2ccc3c(C)nn(-c4ccccn4)c3n2)CC1 19744647 BHFHBAWVTVDNAO-UHFFFAOYSA-N 430.512 3.677 0 40 IHAB CCOC(=O)c1sc2c(c1C)c(=O)n(Cc1ccccc1)c(=O)n2Cc1ccccc1 20100199 KZJUNVZJKNQXFU-UHFFFAOYSA-N 434.517 3.806 0 40 IHAB COc1ccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)cc1N1CCCC1=O 22522458 OBYSGROPYHDKDK-UHFFFAOYSA-N 436.533 3.890 0 40 IHAB CCOc1ccc([C@@H](C)NC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)cc1 22523656 CYLIQUPXQNNRBM-CYBMUJFWSA-N 428.913 3.521 0 40 IHAB Clc1ccc(Nc2nc(NCCN3CCOCC3)nc3c2cnn3-c2ccccc2)cc1 22698846 DYLHAQVVZYHVNE-UHFFFAOYSA-N 449.946 3.957 0 40 IHAB CCN(CC)[C@@H](CNC(=O)[C@H](NC(=O)C1CCCCC1)C(C)C)c1cccc(OC)c1 22969338 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COc1cc(C)ccc1OCc1nnc(SCC(=O)N[C@@H](C)c2ccccc2)n1C 35060484 DPDRYIZQSMKBHD-INIZCTEOSA-N 426.542 3.681 0 40 IHAB COc1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1OC(=O)c1ccc(C)cc1 35656636 SEAZSNYPPBLOJL-HMAPJEAMSA-N 442.496 3.993 0 40 IHAB O=C(CN1CCN(c2nccs2)CC1)N1CCc2sccc2[C@@H]1c1cccs1 36389990 JWCLAIHSIQAKQE-LJQANCHMSA-N 430.624 3.562 0 40 IHAB CCOC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2[nH]c(C)c(C(C)=O)c2C)CC1 36391791 GFMCLZHQYBTHBN-NRFANRHFSA-N 445.947 3.550 0 40 IHAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)C1 40118862 LDIYRRLRBMDUFC-IAGOWNOFSA-N 435.615 3.647 0 40 IHAB CS(=O)(=O)N1CC[C@H](C(=O)Nc2ccc(OC3CCCC3)cc2)Oc2ccccc21 44917374 MSBIRWFAPMRTJK-OAQYLSRUSA-N 430.526 3.564 0 40 IHAB C[C@H](CNC(=O)c1ccccc1C(=O)c1ccc2c(c1)OCCO2)N(C)c1ccccc1 48286929 NZZKVQINHULIFZ-GOSISDBHSA-N 430.504 3.944 0 40 IHAB O=C(CN[C@H](c1ccccc1)c1ccc(Cl)cc1)NCC(=O)Nc1ccc(F)cc1 57381174 DPTHGRAFPCPAMM-HSZRJFAPSA-N 425.891 3.913 0 40 IHAB CCc1cc(=O)n(CC(=O)Nc2cc(Cl)ccc2C(=O)OC)c(-c2ccc(F)cc2)n1 57508864 WCNICPFUGWVEIP-UHFFFAOYSA-N 443.862 3.691 0 40 IHAB Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cc(NC(=O)c2cnoc2C)ccc1Cl 58230891 SZERJNRXOURXTM-UHFFFAOYSA-N 449.872 3.696 0 40 IHAB CC[C@H]1CCCCN1C(=O)Cn1nc2cc(C)nc(-c3ccc(C(F)(F)F)cc3)n2c1=O 67226434 JOZPJKNMRMYRIL-KRWDZBQOSA-N 447.461 3.676 0 40 IHAB Cc1cccc(N2CCN(C[C@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@@H](O)[C@H]34)CC2)c1C 70670130 IYVNGAUMUARQSV-DEHLDAEVSA-N 438.612 3.710 0 40 IHAB O=C1N[C@@]2(COC3(CCN(Cc4ccc(Br)s4)CC3)C2)Nc2ccccc21 72325434 GZWZBDYAFLGFHR-FQEVSTJZSA-N 448.386 3.817 0 40 IHAB C[C@@]12CC[C@@H](C[C@@H]1C(=O)Nc1ccc3c(c1)OCCO3)[C@]1(C2)NC(=O)c2ccccc2N1 72326910 JUMOVZMXOBGPGM-PUODCUBKSA-N 433.508 3.774 0 40 IHAB Cn1cc2c(n1)[C@@H](C(=O)Nc1ccccc1F)CN(Cc1cnn(C3CCCCC3)c1)C2 72345615 GAAGBVWJDOZPGR-FQEVSTJZSA-N 436.535 3.999 0 40 IHAB CNC(=O)c1ccc(-c2cc(C)nc([C@@H]3CCCN(C(=O)COc4ccccc4)C3)c2)cn1 72353613 QREJUCDAARAQJT-HXUWFJFHSA-N 444.535 3.597 0 40 IHAB COc1ccc(Cc2cc(C)nc([C@H]3CCCN(C(=O)c4cnc(N)nc4C)C3)c2)cc1 72354049 IEIIBOMSZNZTJE-FQEVSTJZSA-N 431.540 3.690 0 40 IHAB COc1cccc(-c2noc([C@@H]3CCN(Cc4ccc(OC)c(OC)c4OC)C3)n2)c1 72369911 ZNXDPSAWPMPMEV-QGZVFWFLSA-N 425.485 3.761 0 40 IHAB Cc1nc([C@H]2CCCN2CC(=O)N2CCC(C)CC2)nc2c1CCCN2Cc1ccccn1 72372889 BQAHRZFVMPQERB-HSZRJFAPSA-N 448.615 3.528 0 40 IHAB CCCCS(=O)(=O)N1CCC2(CC1)C[C@H](CC(=O)NC1CCC1)c1ccccc1O2 96243173 XPVHKNNPIFKUPU-SFHVURJKSA-N 434.602 3.576 0 40 IHAB O=C(N[C@@H]1C[C@@H]2CC[C@@H]1C2)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 100093817 CZVLSYKJZKCMNO-GEPFMOHWSA-N 446.956 3.601 0 40 IHAB COc1ccc(NC(=O)c2cnn3c2NC(C(=O)O)=C[C@H]3c2ccccc2F)cc1Cl 102810930 VHCMOVJZNDMKEJ-KRWDZBQOSA-N 442.834 3.920 0 40 IHAB CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C 118925521 WBZYOPMJAOANPU-JAPHJYJCSA-N 434.573 3.680 0 40 IHAB CC[C@@H](C(=O)N[C@H](C)COc1ccc(C)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 219124234 VHTNZGAGLHDRAJ-KNQAVFIVSA-N 432.586 3.740 0 40 IHAB CCOc1ccc(CCCNC(=O)COc2ccc(I)cc2)cc1 219835611 TYRLNMQNLQPHAI-UHFFFAOYSA-N 439.293 3.818 0 40 IHAB CC[C@@H](C(=O)Nc1ccc(OC)cc1OC)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O 220728136 MKBWSKANISRZPI-SFHVURJKSA-N 440.949 3.849 0 40 IHAB Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)NCc1cccc2ccccc12 222769164 GXBAOIXZDWGMOY-UHFFFAOYSA-N 426.538 3.530 0 40 IHAB COc1cc(C)c([C@@H](C)NC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1C(C)C 223287008 LOANDPJUJPSLDA-MRXNPFEDSA-N 436.549 3.910 0 40 IHAB Cc1ccc(N(CC(=O)NCCc2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1C 223471457 FBPXRMRCWNNUPR-UHFFFAOYSA-N 440.540 3.997 0 40 IHAB CC(C)c1ccccc1N(CC(=O)NCCOc1cccc2ccccc12)S(C)(=O)=O 223546618 YEVXIFOLOGOTDU-UHFFFAOYSA-N 440.565 3.924 0 40 IHAB CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN1C(=O)c2cccc3cccc1c23 224092443 RTPYIXQWJNZIQX-IBGZPJMESA-N 443.547 3.990 0 40 IHAB Cc1ccc(Cl)cc1N(CC(=O)NCc1cccc(C(F)(F)F)c1)S(C)(=O)=O 225004548 BXOBDWRULIKGNC-UHFFFAOYSA-N 434.867 3.750 0 40 IHAB CCNC(=S)Nc1nc(N2CCc3ccccc3C2)cc(N2CCc3ccccc3C2)n1 225883113 PJIGVXKKVWYSFH-UHFFFAOYSA-N 444.608 3.908 0 40 IHAB COc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCN3[C@]23C(=O)Nc2c(C)cc(Cl)cc23)cc1 247921448 NXXMKOFORGUWMC-NVVBAYIOSA-N 425.916 3.927 0 40 IHAB C[C@H](C(=O)O)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@H]([C@](C)(O)CO)[C@]4(CCC(=O)O4)C[C@@H]3CC[C@@]12C 251981944 GFRDTMTUJTYIJJ-DNJFNILXSA-N 436.589 3.775 0 40 IHAB biogenic,in-vitro CC(C)CNC(=O)c1cc([C@H]2CC[C@H](CNC(=O)Cn3cccn3)CC2)nc2ccccc12 257235583 GYMCHAJRQXAAKV-MXVIHJGJSA-N 447.583 3.907 0 40 IHAB Cc1cc(Nc2ccc(F)cn2)cc(C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)n1 257274428 NLASSZKOQPFMOY-UHFFFAOYSA-N 445.520 3.841 0 40 IHAB Cc1cccc(C)c1N1CC[C@](C)(C(=O)Nc2ccc(OC3CSC3)cc2)S1(=O)=O 260836499 QBKBFXZECRVOCY-JOCHJYFZSA-N 446.594 3.735 0 40 IHAB C[C@@H](CNC(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1)c1ccccc1 260853454 YMGHHOWLRDRYRH-REWPJTCUSA-N 428.598 3.581 0 40 IHAB CN1CCN(Cc2ccc3c(c2)OCO3)C[C@H]1c1ncn2cc(-c3cccnc3)ccc12 306125864 DEAJLKPIACBQCC-QFIPXVFZSA-N 427.508 3.614 0 40 IHAB Cc1ccc(C(=O)CN(C(=O)c2ccccc2Cl)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 408640032 ABWSTBNQJOBZON-ROUUACIJSA-N 436.895 3.840 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1 408925771 PNGFMQXSXVYDBD-UHFFFAOYSA-N 446.550 3.914 0 40 IHAB O=c1[nH]c2ccc(-c3nc(-c4cccc(Oc5ccc(Cl)cc5)n4)no3)cc2[nH]c1=O 545849629 MKLNBJIQPJJMOT-UHFFFAOYSA-N 433.811 3.774 0 40 IHAB CC(C)c1ccc(-n2ccnc2SCC(=O)N2CCC[C@H](c3ccnc(N)n3)C2)cc1 560695580 JIVBRHFQWJZOHB-SFHVURJKSA-N 436.585 3.866 0 40 IHAB Cc1nc(/C=C/C(=O)N2CCC(Cc3cnc(Nc4ncccc4C)cn3)CC2)cs1 585290835 GDOXHVCMKWQOBY-AATRIKPKSA-N 434.569 4.183 0 40 IHAB Cc1cc(C)nc(Nc2cc(C[C@@H]3CCCN(C(=O)/C=C/c4cccnc4)C3)ncn2)n1 585292906 PNTKBPDZYMVBJA-DUIUGDAFSA-N 429.528 3.517 0 40 IHAB COc1cccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccc3c(c2)OCCO3)c1 1124124753 KTOQMBJVVRFFLN-GOSISDBHSA-N 428.485 3.541 0 40 IHAB CNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(-n2nccc2-c2ccc(F)cc2)cc1 1537133970 LFNLGGSCDDZVAB-HSZRJFAPSA-N 442.494 3.766 0 40 IHAB COc1ccccc1C1(C(=O)N2C[C@H]3CN(c4ccc(C(F)(F)F)cn4)C[C@@H]3C2)CC1 1888880017 JMOVLKZZWWGGEN-HZPDHXFCSA-N 431.458 3.735 0 40 IHAB O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)NCCc1ccc(F)cc1 2236984 NWAUECZCWOFDSQ-UHFFFAOYSA-N 433.512 3.919 0 40 IHAB COc1cc([C@H]2CC(=O)c3cnc(NC(=O)c4ccc(C)cc4)nc3C2)cc(OC)c1OC 2423981 APPLCVZKONVAFE-MRXNPFEDSA-N 447.491 3.976 0 40 IHAB COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CN1c2ccc(F)cc2CC[C@H]1C 2441381 FZOFEJFQOUUXHS-CYBMUJFWSA-N 425.460 3.882 0 40 IHAB CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCC2(N(C)C)CCCCC2)c1 2626575 RUCUWFBXMWQVCN-UHFFFAOYSA-N 443.613 3.896 0 40 IHAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCC(=O)NC(=O)NC1CCCCC1 2650539 UWJNIDLFZVOVIT-UHFFFAOYSA-N 437.855 3.758 0 40 IHAB CCOc1ccc(CCNC(=O)CSc2nnc(-c3ccccc3)n2C)cc1OCC 3283438 XNYFQEANMLFHGA-UHFFFAOYSA-N 440.569 3.731 0 40 IHAB CCCCCc1ccc(C(=O)CCC(=O)OCC(=O)N2CC(=O)Nc3ccccc32)cc1 3295550 IDBCNQXPPBXVCX-UHFFFAOYSA-N 436.508 3.911 0 40 IHAB COc1cc(/C=C/C(=O)OCC(=O)c2ccc(Br)s2)cc(OC)c1OC 3300475 YDBWGPNSLDMCJB-QPJJXVBHSA-N 441.299 3.976 0 40 IHAB COc1ccccc1-c1nnc(SCC(=O)N2CCOCC2)n1-c1ccc(Cl)cc1 3401927 AVCGOTKBORTLKP-UHFFFAOYSA-N 444.944 3.547 0 40 IHAB O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)Cc2cccs2)C1)C1CCCCC1 4277684 KLLLKKSVQQJVAY-FUHWJXTLSA-N 439.581 3.617 0 40 IHAB biogenic,in-vitro COc1ccc(OC)c([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)NC2CCCCC2)c1 5217515 KPUTUTOASGKPLY-GPUOULLFSA-N 430.589 3.821 0 40 IHAB CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCN(c3cc(Cl)ccc3Cl)CC1)C(=O)C2 6148201 SXEPUCNUHGLCHC-JLTOFOAXSA-N 445.412 3.841 0 40 IHAB CCOc1ccc(CN(C(=O)c2oc3ccccc3c2C)[C@@H]2CCS(=O)(=O)C2)cc1 8690164 RVGBOECHBJOOCJ-GOSISDBHSA-N 427.522 3.969 0 40 IHAB Cc1cc(C)c(-c2cc(NC(=O)CSc3nnc(C)n3N)n(-c3ccccc3)n2)cc1C 8966145 WHYVXZMMMVKPAM-UHFFFAOYSA-N 447.568 3.809 0 40 IHAB CCOC(=O)c1oc2ccccc2c1NC(=O)COC(=O)/C=C/c1ccc2c(c1)OCO2 9124771 ZWFVSKOKAKGQAK-CSKARUKUSA-N 437.404 3.533 0 40 IHAB O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N1CCN(c2ccccc2F)CC1 9139620 BXNNXIPQYASBNC-UHFFFAOYSA-N 448.523 3.613 0 40 IHAB CC(C)c1ccc(S(=O)(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)cc1 9378666 HSFPQHGXRPHRQR-UHFFFAOYSA-N 428.510 3.829 0 40 IHAB O=C(CSc1nc(-c2ccccc2Br)n[nH]1)NCCc1ccc(F)cc1 9442746 HJGHULPHENKYOD-UHFFFAOYSA-N 435.322 3.824 0 40 IHAB CCn1nc(C(=O)Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)c2ccccc2c1=O 9664426 RIMYAVDZEJPWCP-UHFFFAOYSA-N 433.493 3.751 0 40 IHAB CC(=O)Nc1ccc(Nc2nc(Nc3ccc(Cl)cc3)nc(N3CCOCC3)n2)cc1 9708840 BNTAZANRZYKUFN-UHFFFAOYSA-N 439.907 3.807 0 40 IHAB COc1ccc(C(=O)Nc2ncccc2C)cc1S(=O)(=O)N1CCCc2ccccc21 9716770 GJJLFVQWMXSOBS-UHFFFAOYSA-N 437.521 3.792 0 40 IHAB COc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-n2cccc2)cc1OC 9737770 VXVMIUNNEXUBDJ-UHFFFAOYSA-N 435.509 3.806 0 40 IHAB CCc1ccccc1-n1c(SCc2nnc(-c3ccco3)o2)nnc1N1CCOCC1 9870469 MTRCLKRVFLZNFE-UHFFFAOYSA-N 438.513 3.602 0 40 IHAB CCOC(=O)c1cccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=O)N2CC(C)C)c1 9934217 HZRBQOKAJCBNLF-HXUWFJFHSA-N 437.496 3.685 0 40 IHAB O=C(Cc1c[nH]c2ccccc12)N[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1 9972695 OKEGKYSMTOELRZ-RUZDIDTESA-N 441.487 3.978 0 40 IHAB Cc1cccc(CCCNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)c1 10110693 MTOLPZUWFXRMAH-UHFFFAOYSA-N 429.369 3.817 0 40 IHAB CCCc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@@H](c3cccs3)C(C)C)C2=O)cc1 10930801 IXQCNKRIAJHQNZ-NFBKMPQASA-N 427.570 3.981 0 40 IHAB COc1cc(/C=C\C(=O)NCCc2cc3c(C)ccc(C)c3[nH]c2=O)cc(OC)c1OC 11726468 QVOQKBKJJUACDO-HJWRWDBZSA-N 436.508 3.543 0 40 IHAB COc1ccc(CNC(=O)c2sc(=S)n(-c3ccc(OC)cc3OC)c2N)cc1 12416105 DTMJAWZRSCQODE-UHFFFAOYSA-N 431.539 3.806 0 40 IHAB COCCCn1c(SCC(=O)N[C@@H]2CCCC[C@@H]2C)nc2sc3c(c2c1=O)CCC3 12498497 KGGGEIASOYSFQO-GOEBONIOSA-N 449.642 3.770 0 40 IHAB COc1cccc(N2C[C@@H](C(=O)Nc3ncc(Cc4ccc(F)cc4)s3)CC2=O)c1 12797086 WSNWSRJTNNORRW-HNNXBMFYSA-N 425.485 3.873 0 40 IHAB CN(C)S(=O)(=O)c1cc(C(=O)OCc2ccccc2Cl)ccc1Br 12943841 NDESJRRNCWPJAV-UHFFFAOYSA-N 432.723 3.710 0 40 IHAB CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)N(C)CC(=O)Nc2cccc(F)c2)CC1=O 13009304 BDLKAVKORHZDKA-SJORKVTESA-N 425.504 3.789 0 40 IHAB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2cc(=O)c3ccccc3o2)c1 13132678 OWDZBMLBXSAWSZ-UHFFFAOYSA-N 434.473 3.870 0 40 IHAB CCn1c(CC(=O)Nc2ccc(C)cc2)nnc1S[C@@H](C)C(=O)NC1CCCCC1 13956628 MWXBJJTZPKPUBN-INIZCTEOSA-N 429.590 3.717 0 40 IHAB CCOC(=O)C1CCN(C(=O)CCC(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 14008865 FNWZDVSIJFWRKC-UHFFFAOYSA-N 438.524 3.786 0 40 IHAB O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1cnc2sccn2c1=O 14504784 GJMKOSHWKIEXEY-UHFFFAOYSA-N 441.516 3.598 0 40 IHAB CC(C)C[C@@H]1N=C2c3ccccc3N=C(SCC(=O)NCCc3ccccc3)N2C1=O 15783421 AAZGNEPMFRNKNJ-FQEVSTJZSA-N 434.565 3.783 0 40 IHAB COc1ccc(NC(=O)Cn2nc(-c3ccccc3)n(-n3cccc3)c2=S)c(OC)c1 16777784 MXZSANDSXPZORK-UHFFFAOYSA-N 435.509 3.850 0 40 IHAB O=C(CCCN1C(=O)c2ccc(Br)cc2C1=O)NCCSc1ccccc1 18214644 FWSZNFWXTWREPP-UHFFFAOYSA-N 447.354 3.734 0 40 IHAB Cc1cc2oc(=O)cc(CSc3nnc(C[C@H]4CCS(=O)(=O)C4)o3)c2cc1C(C)C 18623393 UTKSBDGCEVZKKD-CQSZACIVSA-N 448.566 3.877 0 40 IHAB COc1cccc2c1cc(C(=O)N1CCC[C@]3(CCC(=O)N3)[C@H]1c1ccc(F)cc1)n2C 19289869 BPCQMQDLPUGNLP-NOZRDPDXSA-N 435.499 3.952 0 40 IHAB O=C(c1ccc(F)cc1)N1CCCC[C@H]1c1nc(O)c2c(n1)CN(Cc1ccncc1)CC2 19332032 NCRMBMVHLKCOAT-QFIPXVFZSA-N 447.514 3.642 0 40 IHAB CCNC(=O)[C@]1(Cc2ccc(-c3ccccc3)cc2)CCN(Cc2c(C)nn(C)c2OC)C1 19529127 PIVAYBHTRIEVOW-MHZLTWQESA-N 446.595 3.975 0 40 IHAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 20038639 SPHPCMCYXWIBHQ-AWEZNQCLSA-N 431.901 3.942 0 40 IHAB COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)Nc1cc(Cl)ccc1C)=C2C 20063964 JIDRGPULIKTAFG-UHFFFAOYSA-N 436.917 3.815 0 40 IHAB CCOC(=O)N1CCN([C@H](c2ccccn2)c2c(NC(C)=O)sc3c2CCCC3)CC1 20192224 RTYNKNKQRXYKMJ-OAQYLSRUSA-N 442.585 3.844 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1cc2ccccc2cc1OC 20485309 XVBYCBRYJNKDCK-UHFFFAOYSA-N 440.521 3.894 0 40 IHAB COC(=O)c1ccc(-c2ccc(CNCCCSc3nnnn3-c3ccccc3)o2)cc1 22108438 ZHCLUBKUDBFSSI-UHFFFAOYSA-N 449.536 3.981 0 40 IHAB O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCCCc1ccc(F)cc1 22368521 QZSFVHCSXDIKBA-UHFFFAOYSA-N 444.503 3.909 0 40 IHAB O=C(Nc1cccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1)c1cccs1 24103345 PEEVVFNPAMGPKO-UHFFFAOYSA-N 441.534 3.928 0 40 IHAB CC(C)c1ccc(-n2cnnc2SCC(=O)N2CCC[C@@H]2c2nnc3ccccn23)cc1 26555991 YYSQTUTYSAJAGE-LJQANCHMSA-N 447.568 3.889 0 40 IHAB CCOc1ccc(NC(=O)CSc2nc(Cc3ccc(Cl)cc3)[nH]c(=O)n2)cc1 27643465 SXUVPZPMHPZBMP-UHFFFAOYSA-N 430.917 3.539 0 40 IHAB CCN(CC)C(=O)CSc1nnc(SCC(=O)N[C@H](C)c2ccccc2C)s1 32947320 GYALKZXNYUAOHP-CQSZACIVSA-N 438.644 3.777 0 40 IHAB COc1cccc(NC(=O)CSC2=NC3(CCN(C)CC3)N=C2c2ccc(C)cc2)c1 35372941 LENJFWIAOQJDBT-UHFFFAOYSA-N 436.581 3.999 0 40 IHAB CCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(F)cc1Br 40059955 FZNDWBZXDSOYLK-UHFFFAOYSA-N 444.326 3.523 0 40 IHAB COCc1nn2c(nnc3c(=O)n(Cc4ccc(C)cc4)ccc32)c1-c1ccc(F)cc1 40392119 VPUFSBUUXMTLHB-UHFFFAOYSA-N 429.455 3.748 0 40 IHAB O=C1C[C@@H](C(=O)Nc2cccc(Cl)c2Cl)c2c(nc(Nc3ccccc3)[nH]c2=O)N1 40399214 NDVXODZMIWGPLQ-LLVKDONJSA-N 444.278 3.885 0 40 IHAB COc1ccc(NC(=O)C2(S(=O)(=O)c3ccc(C)cc3)CCC2)cc1OC(F)F 48310137 RLSDTRUHLJDVCB-UHFFFAOYSA-N 425.453 3.940 0 40 IHAB CC(C)CCn1c(=O)c2ccccc2n(CC(=O)Nc2cccc(C(F)(F)F)c2)c1=O 57525797 KWSNWENPDGFZOO-UHFFFAOYSA-N 433.430 3.867 0 40 IHAB Cc1ccc2c(c1)N(C(=O)CSc1nc3cc(C)[nH]c3c(=O)n1-c1ccccc1)CCO2 67236814 XPXKFBRRGVGPKX-UHFFFAOYSA-N 446.532 3.848 0 40 IHAB COc1cc(C)c2[nH]c3c(c(=O)c2c1)CN(CC(=O)Nc1ccc(F)c(Cl)c1)CC3 67349923 CHZNVTSSLLZIMZ-UHFFFAOYSA-N 429.879 3.634 0 40 IHAB CCN1CC[C@]2(CCC1=O)C[C@@H](NC(=O)C1=Cc3ccccc3OC1)c1ccccc1O2 72327850 PKZQEUFSZSPRBW-QFQXNSOFSA-N 432.520 3.874 0 40 IHAB COc1ccc(NC(=O)[C@@H](C)CS(=O)(=O)c2ccc(Br)cc2)cc1F 79069759 XZMQAQMSAIQWGE-NSHDSACASA-N 430.295 3.645 0 40 IHAB Cc1nn(-c2nc3ccccc3s2)c(O)c1[C@@H]1CC(=O)N(CCc2ccccc2)C1=O 101444106 BFUSESJTNXFNBQ-INIZCTEOSA-N 432.505 3.581 0 40 IHAB C[C@@H](NC(=O)CSc1nnc(Cc2cccc3ccccc23)n1N)[C@H]1C[C@@H]2CC[C@@H]1C2 103141405 ZMVFODQCPLMNCM-NVEXJGOOSA-N 435.597 3.769 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)NC(C(C)C)C(C)C)c2ccc(F)cc2)cc1 113937078 MREWBSYPKXFBKB-UHFFFAOYSA-N 436.549 3.826 0 40 IHAB CC[C@H](Oc1ccc(C)cc1)C(=O)N(C)Cc1nc(-c2ccc(OC)cc2OC)no1 219600738 XRLUONKTHKCWIN-IBGZPJMESA-N 425.485 3.878 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](C)c3ccc(Cl)cc3)C2)cc1 223042372 CTCMFFKFAQANFP-DOTOQJQBSA-N 436.961 3.627 0 40 IHAB COc1ccc(-c2noc(CNS(=O)(=O)c3cc(C(C)C)c(OC)cc3C)n2)cc1 223472870 XMSOGJWAVWVBJT-UHFFFAOYSA-N 431.514 3.664 0 40 IHAB COC(=O)c1cc(S(=O)(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)ccc1Cl 223835154 PYWQGISAFCVLIK-UHFFFAOYSA-N 436.917 3.554 0 40 IHAB CCCNC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1 223922404 LJPZTKPDEHMXAQ-UHFFFAOYSA-N 437.521 3.880 0 40 IHAB COCCc1nnc(NC(=O)C2(Cc3cccc(-c4cccnc4)c3)CCOCC2)s1 257203648 AQZYUSRCJGRGPA-UHFFFAOYSA-N 438.553 3.767 0 40 IHAB Cc1cc(Nc2cccc(F)c2)cc([C@H]2CCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)n1 257242608 IDHXOHLXYDOTRE-INIZCTEOSA-N 429.521 3.791 0 40 IHAB Cc1ccc(NCC(=O)N2CCC[C@](COc3ccc(Cl)cc3)(CC(N)=O)C2)cc1 257305919 SSCCEDUCABLQOO-QHCPKHFHSA-N 429.948 3.624 0 40 IHAB C[C@H](CNC(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1)c1ccccc1 260853449 YMGHHOWLRDRYRH-OFNKIYASSA-N 428.598 3.581 0 40 IHAB CCn1c(=O)n(CC)c2cc(NC(=O)C(Cl)(Cl)Cl)c(Br)cc21 408535518 SYYRZTVHZLWGPP-UHFFFAOYSA-N 429.529 3.914 0 40 IHAB O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)Nc1ccccc1F 408558550 RRROWGFLEDEFKE-UHFFFAOYSA-N 426.469 3.595 0 40 IHAB CCCC[C@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1)N1C(=O)c2ccccc2C1=O 408668489 UXBOKQRWIDNDNK-GOSISDBHSA-N 428.872 3.677 0 40 IHAB CCC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OCC)cc2)cc1C 408674933 NAARLLVEZJZXDS-KRWDZBQOSA-N 434.558 3.878 0 40 IHAB CCCNC(=O)CN1C(=O)S/C(=C\c2ccccc2OCc2ccc(F)cc2)C1=O 409216130 FNVXHRYYHLYMGX-UNOMPAQXSA-N 428.485 3.967 0 40 IHAB Cc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3cc(Cl)ccc3C)n2C)cc1 409346132 NGGOGKGVCIVASQ-UHFFFAOYSA-N 443.960 3.746 0 40 IHAB COc1cc(Br)c(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)cc1OC 409391626 IYZMDCZZSZBYLO-LSCVHKIXSA-N 445.338 3.853 0 40 IHAB COc1ccc([C@@H](CNC(=O)COc2coc(C)cc2=O)c2c[nH]c3ccccc23)cc1 524735204 GCFQFYZLUNEXMN-HXUWFJFHSA-N 432.476 3.765 0 40 IHAB O=C(c1ccccc1)N1CC2(CCN(C(=O)C3(F)CCC3)CC2)C[C@@H]1COCC1CC1 585103677 MXHDEEFNPAHEPV-OAQYLSRUSA-N 428.548 3.829 0 40 IHAB Cc1cc(Nc2ncc(Cl)s2)nc(C2CCN(C(=O)[C@H]3CCCC[C@@H]3N)CC2)n1 585263596 RLKKEVCBMKTKQM-GJZGRUSLSA-N 434.997 3.862 0 40 IHAB COc1ccc([C@H](CC(=O)NC[C@@H]2OCCc3ccccc32)c2oc(C)cc(=O)c2O)cc1 1547139723 YUFUOABAMGLQSW-GMAHTHKFSA-N 449.503 3.615 0 40 IHAB biogenic COc1cc(CCc2cc(-c3nc4cc(N5CCN(C)CC5)ccc4[nH]3)n[nH]2)cc(OC)c1 1857792603 QHCGPJPIPKDWAT-UHFFFAOYSA-N 446.555 3.507 0 40 IHAB COc1ccc(OC)c(N(CC(=O)Nc2ccccc2)S(=O)(=O)c2ccccc2)c1 716852 UBJHPFXESARNLN-UHFFFAOYSA-N 426.494 3.538 0 40 IHAB Cc1ccc([C@H](C(=O)NCc2ccco2)N(C(=O)Cn2nnc3ccccc32)C(C)C)cc1 1376328 NJZNHHCXHDFGBJ-XMMPIXPASA-N 445.523 3.627 0 40 IHAB CCCN1C(=O)[C@@]2(c3ccccc31)c1c(oc3ccccc3c1=O)C(=O)N2CCCOCC 2380792 FFMFCBBDDOGTPD-AREMUKBSSA-N 446.503 3.676 0 40 IHAB O=C(OCc1cn2cc(Cl)ccc2n1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 6144143 DKQPZRVOXYNSCO-UHFFFAOYSA-N 447.944 3.909 0 40 IHAB O=C(Nc1ccccc1F)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 6147019 CKZFESGAFMJHAL-UHFFFAOYSA-N 428.441 3.650 0 40 IHAB Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CCCCC3)cc12 6322183 MMMDDKWUUVCDEK-QHCPKHFHSA-N 446.530 3.894 0 40 IHAB COc1cc([C@@H]2C(C(N)=O)=C(C)N=C3N=CNN32)ccc1OCc1ccc(C(C)(C)C)cc1 8717600 KXWUASOKXYIAIQ-JOCHJYFZSA-N 447.539 3.590 0 40 IHAB COc1ccc(NC(=O)[C@@H]2C[C@H](CCSC)N[C@@]23C(=O)Nc2ccc(C)cc23)cc1 8995772 FAPYWKDYRHITMC-BTCOZLQPSA-N 425.554 3.521 0 40 IHAB O=C1O[C@H](N2C(=O)CC[C@H]2C(=O)Nc2ccc(Br)cc2Cl)c2ccccc21 9034056 SEYAJDQTKZROJA-YJBOKZPZSA-N 449.688 3.901 0 40 IHAB biogenic CCCCOc1ccc(N2C[C@@H](C(=O)NCCc3ccc(OC)c(OC)c3)CC2=O)cc1 9233750 FBVUVVRHMFNXKZ-IBGZPJMESA-N 440.540 3.595 0 40 IHAB Cc1cc2nc(NC3=N[C@H](O)C=C(CSc4nc5ccccc5[nH]4)N3)nc(C)c2cc1C 9246495 VJXXCUANYZWMES-HXUWFJFHSA-N 445.552 3.797 0 40 IHAB CCn1c(S[C@@H](C)C(=O)Nc2nccs2)nnc1[C@@H](C)NC(=O)c1ccccc1F 9263339 SPRCXLFEUAZYQX-NEPJUHHUSA-N 448.549 3.504 0 40 IHAB O=C(/C=C\c1ccc2c(c1)OCO2)Nc1nnc(SCC(=O)Nc2ccccc2)s1 9391070 FHXSZAXHMKOXGX-CLFYSBASSA-N 440.506 3.650 0 40 IHAB COCCSc1ccccc1C(=O)Nc1nnc(CS(=O)(=O)c2ccccc2)s1 9426499 HSIRMRGTKAPSOD-UHFFFAOYSA-N 449.579 3.503 0 40 IHAB Cc1ccc2oc3c(c(=O)c2c1)[C@]1(C(=O)N(C)c2ccccc21)N(CCCOC(C)C)C3=O 9431971 LNQFQGVJJLPGPZ-AREMUKBSSA-N 446.503 3.592 0 40 IHAB COc1cc2c(cc1NC(=O)CN1C(=O)N[C@H](Cc3ccccc3)C1=O)oc1ccccc12 9544738 GYLDXUPVHVERHK-LJQANCHMSA-N 443.459 3.696 0 40 IHAB C[C@@H]1c2cccn2CCN1S(=O)(=O)c1cc(Br)ccc1Br 9583232 SIIZOHBHYVMVNQ-SNVBAGLBSA-N 434.153 3.779 0 40 IHAB CCOc1ccc2nc(NC(=O)c3cccn(OCc4ccc(F)cc4)c3=O)sc2c1 9599671 BLQAYUPSLGLBDH-UHFFFAOYSA-N 439.468 3.877 0 40 IHAB COc1ccc(OC)c(NC(=O)CSc2nnc(NC(=O)c3cccc(F)c3)s2)c1 9599953 RCTDVPKDURXVPH-UHFFFAOYSA-N 448.501 3.678 0 40 IHAB CSc1ccccc1NC(=O)COc1ccc(S(=O)(=O)N2CCCCCC2)cc1 9668695 MGSOOELQYMRHTC-UHFFFAOYSA-N 434.583 3.991 0 40 IHAB CN(C)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1 9668961 KZGQQVKGVZVLAX-UHFFFAOYSA-N 437.565 3.945 0 40 IHAB O=C(c1ccc2c(c1)CCCC2)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 9750509 DNBQMFGDUIDTFO-UHFFFAOYSA-N 448.954 3.727 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2nc(CC(=O)NCc3ccc(Cl)cc3)cs2)cc1 9828572 XQPOKGGQMJJODQ-UHFFFAOYSA-N 435.958 3.765 0 40 IHAB CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)CSc2ccc(Cl)cc2)CC1 9933719 ANKOVQAHFQZSJL-UHFFFAOYSA-N 447.988 3.999 0 40 IHAB O=C(Nc1nc2c(s1)CCc1ccccc1-2)[C@H]1CCCN1S(=O)(=O)c1cccs1 10186951 KVLIYJQNMGZEDU-OAHLLOKOSA-N 445.591 3.762 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)cc1 10324673 BOXKXOHJMVHNQO-HNNXBMFYSA-N 430.526 3.606 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CCCN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 10338423 OCVJLELZNXLPPL-UHFFFAOYSA-N 432.542 3.665 0 40 IHAB COc1ccc(CCNC(=O)CCCN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 10371736 YEMVNFFOLCMDBU-UHFFFAOYSA-N 438.977 3.562 0 40 IHAB CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cc(OC)c(OC)c(OC)c3)ccc21 10972093 MMTDVXBYVWUYPE-UHFFFAOYSA-N 428.485 3.736 0 40 IHAB COCCCn1c(SCC(=O)N[C@H]2CCCC[C@@H]2C)nc2cc(Cl)ccc2c1=O 11528010 ZKSKRFYDORXBHK-YOEHRIQHSA-N 437.993 3.873 0 40 IHAB O=C(Cn1c(SCCOc2ccc(Cl)cc2)nc2ccccc21)N1CCOCC1 11667506 FOKFXFRBSLFQML-UHFFFAOYSA-N 431.945 3.720 0 40 IHAB O=C(OC[C@H]1CCCN2CCCC[C@H]12)c1nn2cc(Br)cnc2c1Cl 12428321 UPZBPJXOSSLKCU-DGCLKSJQSA-N 427.730 3.567 0 40 IHAB O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(F)(F)F)C1CCCCC1 12549202 BOTXPDXUIBEQOP-UHFFFAOYSA-N 434.480 3.931 0 40 IHAB CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1cc(F)ccc1F 12794509 CZJOCAFXUPTVSV-UHFFFAOYSA-N 442.793 3.896 0 40 IHAB O=C(O)Cn1c(SCC(=O)NCC23CC4CC(CC(C4)C2)C3)nnc1-c1cccs1 12814144 LLVMYANVRZHKET-UHFFFAOYSA-N 446.598 3.516 0 40 IHAB CN(CCOc1ccccc1)C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 13009332 VNXVGARJVHQPKB-UHFFFAOYSA-N 436.961 3.666 0 40 IHAB Cc1ccc(Nc2nc(CN3CCN(S(=O)(=O)c4ccccc4)CC3)cs2)cc1 13030221 SUVZBKASNOPAFS-UHFFFAOYSA-N 428.583 3.702 0 40 IHAB Cc1ccccc1N(C(=O)CNC(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1ccco1 13506700 CHGWCBACCSRYFU-QHCPKHFHSA-N 449.507 3.744 0 40 IHAB CCN(c1ccc(C(=O)NCCSCc2c(F)cccc2Cl)cc1)S(C)(=O)=O 13679345 JASPAUJTLITZED-UHFFFAOYSA-N 444.981 3.928 0 40 IHAB COc1ccc(OC)c(NC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)c1 13682805 YZCGJIHOHZLFOH-UHFFFAOYSA-N 432.523 3.843 0 40 IHAB COc1ccc2c(CC(=O)Nc3ccc(S(=O)(=O)NCc4ccco4)cc3)coc2c1 14245724 UVKVZARNFLPLCT-UHFFFAOYSA-N 440.477 3.694 0 40 IHAB Cn1c(=O)n(CCC(=O)Nc2ccnn2Cc2ccc(Cl)cc2Cl)c2ccccc21 14800574 ISDCLLSUTOUYAQ-UHFFFAOYSA-N 444.322 3.920 0 40 IHAB Cc1nn(CC(=O)Nc2ccc(C(C)(C)C)cc2)c(C)c1S(=O)(=O)N1CCC(C)CC1 15573696 GFIPMUIKBOVDSU-UHFFFAOYSA-N 446.617 3.857 0 40 IHAB O=C(Nc1ccc(Sc2ccc(Br)cc2)cc1)[C@H]1CCS(=O)(=O)C1 15607370 BUQXTQRMYGBFSI-LBPRGKRZSA-N 426.357 3.974 0 40 IHAB COc1cccc(NC(=O)CN(C)[C@@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)c1 16622957 ARYAKDKHTHUUKX-XMMPIXPASA-N 433.508 3.954 0 40 IHAB COC(=O)c1cc(-c2ccccc2)nc2c1c(-c1ccco1)nn2[C@H]1CCS(=O)(=O)C1 16850623 HQDPFEAXQSIPJI-HNNXBMFYSA-N 437.477 3.505 0 40 IHAB COc1ccc(C(=O)NCC23CC4CC(CC(C4)C2)C3)cc1S(=O)(=O)NC(C)(C)C 17062302 NROYSSHTTFRGDV-UHFFFAOYSA-N 434.602 3.718 0 40 IHAB C[C@H](NC(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1)c1cccs1 17842227 QDLWTRBIJBLBDR-AWEZNQCLSA-N 436.580 3.891 0 40 IHAB Cc1cc(C(=O)N2CCC(c3nc(N4CCCCC4)ncc3-c3cc(C)no3)CC2)on1 19123011 LRSTUUJVDKOJIM-UHFFFAOYSA-N 436.516 3.747 0 40 IHAB O=C(CCn1cccn1)N1CCc2nc(-c3cccnc3)nc(Nc3cccc(F)c3)c2C1 19293976 KCMHMNXVTIJSSF-UHFFFAOYSA-N 443.486 3.593 0 40 IHAB CS(=O)(=O)N1CCCC[C@H]1c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 19572406 OZKBKCFCWQDTHE-ZDUSSCGKSA-N 430.477 3.963 0 40 IHAB CN(C)c1cc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(CN(C)C2CCCCC2)n1 19697389 PNHIOWIBTSLWKS-KRWDZBQOSA-N 425.552 3.967 0 40 IHAB Cc1onc(C(C)C)c1C(=O)N1CCC(c2cc(C(F)(F)F)c3c(N)n[nH]c3n2)CC1 19745105 JHWCAUGUWMTFNY-UHFFFAOYSA-N 436.438 3.999 0 40 IHAB COc1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3N2C(=O)c2ccc(OC)cc2)cc1 19898783 QZJUZLSKTKHNNM-QFIPXVFZSA-N 445.475 3.700 0 40 IHAB CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 20017633 SQOKSLHJEGTNEF-JTQLQIEISA-N 432.386 3.724 0 40 IHAB CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1F 20492500 PVAVEUHAVCBMAO-UHFFFAOYSA-N 443.500 3.870 0 40 IHAB COc1ccc(-c2[nH]nc3c2[C@H](c2ccc(O)c(OC)c2)N(c2ccccn2)C3=O)cc1 20730066 YLDGTXWPZIIWID-QHCPKHFHSA-N 428.448 3.944 0 40 IHAB COc1ccc([C@H](CC(C)C)NC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 22531663 UUPBOXWAVOLAND-KKSFZXQISA-N 436.549 3.892 0 40 IHAB COC(=O)c1ccc(NC(=O)[C@@H]2CCCN(c3ccc(-c4ccc(OC)cc4)nn3)C2)cc1 23142695 BAUNVZYWFJIAEW-LJQANCHMSA-N 446.507 3.794 0 40 IHAB O=C(Nc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2ccccc2OC(F)(F)F)C1 23434901 FZEPMSFYPOMCOT-AWEZNQCLSA-N 428.432 3.625 0 40 IHAB O=C(Cc1ccccc1)Nc1ccccc1C(=O)OCCCn1c(=O)[nH]c2ccccc21 24288753 UQGZJRTWBJBEFD-UHFFFAOYSA-N 429.476 3.758 0 40 IHAB CCNC(=O)CNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccc(Cl)cc1 25053194 MOMFSUHEJFJGKQ-UHFFFAOYSA-N 447.926 3.666 0 40 IHAB Cc1ccc(-c2cc(C(=O)NCc3ccc(Cl)cc3)nn2[C@H]2CCS(=O)(=O)C2)cc1 33325536 JZDGXUUHXBUQBL-IBGZPJMESA-N 443.956 3.802 0 40 IHAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccccc3OCc3ccccc3)C2=O)o1 33667347 JDKTVTIOAJJNPQ-UYRXBGFRSA-N 432.432 3.738 0 40 IHAB Cc1ccccc1CN1CCC(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)CC1 39751487 DAYRNFJLAGZARM-QFIPXVFZSA-N 435.568 3.755 0 40 IHAB O=C(CN1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1)NC12CC3CC(CC(C3)C1)C2 40135412 LGGCOXGSOIEFIX-UHFFFAOYSA-N 445.991 3.781 0 40 IHAB CCCCN(C(=O)COc1ccc2ccc(=O)oc2c1)c1ccc(N2CCOCC2)cc1 40146269 NRYMZVDJNSCHJA-UHFFFAOYSA-N 436.508 3.842 0 40 IHAB CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NCc1cccc(COCc2ccccc2)c1 40151837 XAXWPDQHQCJHEX-QHCPKHFHSA-N 444.597 3.614 0 40 IHAB CNC(=O)[C@@H](NC(=O)c1sc(COc2ccc(Cl)cc2)nc1C)c1ccccc1 40151934 FTJDABOZJGYEGV-SFHVURJKSA-N 429.929 3.901 0 40 IHAB COCCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3ccc(C)cc3C)c2c1=O 48988058 NINKVPXEXVDQBS-UHFFFAOYSA-N 430.508 3.767 0 40 IHAB COc1cc(NC(=S)N2CCN(C/C=C/c3ccccc3)CC2)cc(OC)c1OC 57236063 WQXGJJDBSNLYGK-JXMROGBWSA-N 427.570 3.740 0 40 IHAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3ccccc3)Oc3ccc(C)cc32)cc1 64985785 KFMAEKKGCZMLKI-QHCPKHFHSA-N 436.533 3.576 0 40 IHAB Cc1nc(-c2ccc(Cl)cc2)n(CC(=O)Nc2ccc(Cl)cc2)c(=O)c1CCO 67300581 LQWAMTLMLWLYLG-UHFFFAOYSA-N 432.307 3.699 0 40 IHAB CCCc1noc(-c2ccnc(-n3cnc(C(=O)NCc4ccc(F)cc4Cl)c3)c2)n1 71768454 UMAKPHJSGCZXIS-UHFFFAOYSA-N 440.866 3.992 0 40 IHAB C[C@H]1[C@H](C(F)(F)F)OC(=O)N1c1ncccc1NS(=O)(=O)c1cccc(Cl)c1 84678322 PEZSDRFLJGUZJN-TVQRCGJNSA-N 435.811 3.812 0 40 IHAB O=C1CN(c2nc(-c3ccccc3)c3cc(Br)ccc3n2)[C@H]2C=CC=C[C@H]2N1 89851091 QIFJOGLQNDMZEU-MOPGFXCFSA-N 433.309 3.859 0 40 IHAB CC(C)[C@@H](CC(=O)N1CCOCC1)c1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12 96115244 RQOGBGORYYTKEM-QGZVFWFLSA-N 437.492 3.860 0 40 IHAB biogenic CCN(C(C)=O)c1nc(/C=C2/SC(=O)N(Cc3ccc(C(=O)OC)cc3)C2=O)cs1 96315800 XJLPMEXGHPFUQW-CXUHLZMHSA-N 445.522 3.539 0 40 IHAB CCOc1ccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1 101465479 RTZWVZUZAGYFIY-VRIGVRMUSA-N 432.520 3.666 0 40 IHAB CCCON1C(=O)[C@H]2[C@H](C1=O)[C@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl 104205068 QZCCUIFTKHYFJX-CRDJSWOESA-N 427.926 3.775 0 40 IHAB O=C(OCc1cn(-c2ccccc2)nc1-c1ccccc1)c1sccc1-n1cnnn1 106283851 GVYDVOQJVHHRFZ-UHFFFAOYSA-N 428.477 3.934 0 40 IHAB O=C(COC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 108858511 RTUYVXZGDBSPCZ-JYJNAYRXSA-N 440.462 3.850 0 40 IHAB COc1ccc(NC(=O)Cn2c(=O)n(Cc3ccc(Cl)cc3)c(=O)c3ccccc32)cc1 139347367 VDYZNKTULRCZQW-UHFFFAOYSA-N 449.894 3.512 0 40 IHAB Cc1sc(C(=O)N[C@@H]2[C@H](N)CCCC2(F)F)cc1-c1cnn2cc(Cl)cnc12 146661020 NGFGTMFVWSDFPS-UKRRQHHQSA-N 425.892 3.665 0 40 IHAB CCCNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3cc(Cl)ccc3C)cc2)C1 165081209 PFXZYRCLJMQMRG-INIZCTEOSA-N 443.931 3.545 0 40 IHAB CCOc1ccc(/C=C(\C(=O)N(CCN(C)C)Cc2ccccc2)n2ccccc2=O)cc1 199401289 PVQCMEHAZWQQIJ-LKUDQCMESA-N 445.563 3.836 0 40 IHAB COc1ccc(N([C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1OC 220236364 XQCXYZCZGBDFOB-NSHDSACASA-N 447.340 3.804 0 40 IHAB CCc1ccc(OCC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC)c(Br)c1 222429722 JGCMHRYPVOGKKG-INIZCTEOSA-N 447.373 3.862 0 40 IHAB CCOc1ccc(CCCNC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)cc1 222576004 DBEOVSRPGBUXRP-UHFFFAOYSA-N 430.570 3.686 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc(-c3cccc(F)c3)[nH]n2)ccc1OC 223041516 KERUEARSKLELHF-UHFFFAOYSA-N 446.504 3.507 0 40 IHAB Cc1cccc(NC(=O)c2cnc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)nc2)c1C 223387837 GFOTZWFWEZGSFL-UHFFFAOYSA-N 444.944 3.820 0 40 IHAB Cc1ccc(-c2nnc(NC(=O)c3ccc(C)c(S(=O)(=O)N4CCCC4)c3)s2)cc1 223497178 XPHYJNGZEPICLU-UHFFFAOYSA-N 442.566 3.859 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCCc3ccc(F)cc3)cc2)cc1 223986881 HNUXXSKIIWEMMI-UHFFFAOYSA-N 442.512 3.998 0 40 IHAB CCOc1ccc(C(=O)NCc2ccco2)cc1CN(c1ccc(F)cc1)S(C)(=O)=O 224799612 AYYAJVSUKPFPEJ-UHFFFAOYSA-N 446.500 3.714 0 40 IHAB CCN(c1ccc(C(=O)Nc2nnc(-c3ccc(OC)cc3)s2)cc1)S(=O)(=O)CC 225691054 IXSXEZKSGQPVLS-UHFFFAOYSA-N 446.554 3.642 0 40 IHAB C[C@H]1CCCCN1c1cc(Cl)nc(NC(=S)NCc2ccc3c(c2)OCCO3)n1 226016098 RKFSUHLZMNMHFZ-ZDUSSCGKSA-N 433.965 3.767 0 40 IHAB O=S(=O)(c1ccccc1OC(F)(F)F)N1CCC(Oc2ccncc2Cl)CC1 244955833 GBRXYRQVRMZAHQ-UHFFFAOYSA-N 436.839 3.866 0 40 IHAB CC1(C)c2sc(O)nc2S[C@@H]2[C@H]3C[C@@H]([C@@H]4C(=O)N(c5ccc(F)cc5)C(=O)[C@H]43)[C@H]21 253483690 AKMVJLNEUPAJMZ-GXYBRJDSSA-N 430.526 3.811 0 40 IHAB CCc1nccn1-c1cccc([C@H]2CCCN2C(=O)c2ccc3c(c2)ncn3CCOC)n1 257234443 GTOHFMCRNUEYJM-JOCHJYFZSA-N 444.539 3.803 0 40 IHAB COc1ccc(-c2cccc([C@H]3CN(C(=O)Cc4c(C)nc5ccccn45)CCO3)n2)cc1 257260218 LBVTUJGLXDCPHM-XMMPIXPASA-N 442.519 3.856 0 40 IHAB O=S(=O)(CCOc1ccccc1)N(CCn1ccc(-c2ccncc2)n1)C1CCCC1 390827543 ZCSIPLLIMYQASH-UHFFFAOYSA-N 440.569 3.599 0 40 IHAB COc1ccc(NC(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc2Cl)cc1 408587059 BECHHPHRLKNRHF-UHFFFAOYSA-N 438.933 3.587 0 40 IHAB CCc1ccccc1NC(=O)CCC(=O)OCC(=O)Nc1ccc(Br)cc1 408645850 LQZJWPBIMAWVEE-UHFFFAOYSA-N 433.302 3.912 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc(C)c2)cc1 408661634 FTUKXYFIJVSAFZ-UHFFFAOYSA-N 440.496 3.853 0 40 IHAB Cc1ccc(N(CCCC(=O)NCCSCc2cccc(C)c2)S(C)(=O)=O)cc1 408695560 RFHLGJQKZQUOIU-UHFFFAOYSA-N 434.627 3.899 0 40 IHAB Cc1ccc([C@@H]2[C@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccccc2Cl)cc1 409064280 BWZKPZVPKAROPR-NGTVUAHZSA-O 436.894 3.804 0 40 IHAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(CC(=O)Nc2ccccc2)n1C 409327747 MHSNTCYYLHUDIJ-UHFFFAOYSA-N 429.933 3.689 0 40 IHAB CCOc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)c(OCC)c1 409355876 FBGPHWCKUSKXBP-XDHOZWIPSA-N 432.542 3.779 0 40 IHAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1c2c(nn1[C@H]1CCS(=O)(=O)C1)CCC2 585188683 DKIGIXSXIZWSEP-NSHDSACASA-N 447.866 3.656 0 40 IHAB Cc1cnc(Nc2cccc([C@@H]3CN(C(=O)CCn4cnc5ccccc54)CCO3)n2)s1 2037834455 GJBXZTBZFIZHBR-FQEVSTJZSA-N 448.552 3.930 0 40 IHAB COc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(C)cc2)cc1 921458 RGYQVFLEJPGKKC-QHCPKHFHSA-N 436.533 3.758 0 40 IHAB biogenic,in-vitro CCOC(=O)C1=C(CSc2nc3ccccc3[nH]2)NC(=O)N[C@H]1c1ccc(OC)cc1 1426390 CAHNXZQIVHCZDE-IBGZPJMESA-N 438.509 3.535 0 40 IHAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 2298126 NIXBYPLLRWVKOV-FBHQFGEZSA-N 432.545 3.532 0 40 IHAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 2298128 NIXBYPLLRWVKOV-PZHBDVNGSA-N 432.545 3.532 0 40 IHAB COc1ccccc1CNc1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccccc12 2688088 JCEWRIXPCNQLIE-UHFFFAOYSA-N 445.504 3.731 0 40 IHAB CCCc1cc2c(=O)n(NC(=O)[C@@H](C)n3nc(C(F)(F)F)cc3C)c(C)nc2s1 2778690 DSALFEAFRGHLOQ-SNVBAGLBSA-N 427.452 3.574 0 40 IHAB O=C(CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)N1CCc2ccccc21 3222296 ULCMYIKLEBZSER-INIZCTEOSA-N 426.567 3.867 0 40 IHAB O=C(COC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1)c1ccccc1F 3370156 MQUVBURGKXYZGN-UHFFFAOYSA-N 431.416 3.805 0 40 IHAB COc1ccccc1NC(=S)N(CCCO)Cc1cc2cc(C)cc(C)c2[nH]c1=O 4127488 KTDLQHMNPQYRPX-UHFFFAOYSA-N 425.554 3.735 0 40 IHAB O=C(NC1CCCCC1)[C@@H](c1ccccn1)N(C(=O)c1csnn1)C1CCCCC1 4858842 LJVMNBZZTNKKAU-HXUWFJFHSA-N 427.574 3.898 0 40 IHAB CCOc1ccc(CN(C(=O)c2oc3ccccc3c2C)[C@H]2CCS(=O)(=O)C2)cc1 8690165 RVGBOECHBJOOCJ-SFHVURJKSA-N 427.522 3.969 0 40 IHAB O=C(CN1CCC(C(=O)Nc2ccccc2)CC1)NCC1(N2CCCCC2)CCCCC1 8723672 APQCHLSVPWRYHN-UHFFFAOYSA-N 440.632 3.642 0 40 IHAB CCCNc1nc(SC)nc2c1cnn2CCNC(=O)C12CC3CC(CC(C3)C1)C2 8940263 JGFPAYYNFAONAI-UHFFFAOYSA-N 428.606 3.703 0 40 IHAB Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)N2CCc3ccccc3C2)cc1 8992100 MGXVXQPVGMNKQC-VWLOTQADSA-N 446.572 3.696 0 40 IHAB CCn1c(COc2c(C)cccc2C)nnc1S[C@@H](C)C(=O)Nc1nnc(C)s1 9304046 JVZCECHFBOLYMO-ZDUSSCGKSA-N 432.575 3.773 0 40 IHAB CCOC(=O)C1=C(COC(=O)CCc2c[nH]c3ccccc23)NC(=O)N[C@@H]1c1ccccc1 9550184 ZRHDDDSFBHNMCZ-HSZRJFAPSA-N 447.491 3.515 0 40 IHAB COc1ccc(OC)c(S(=O)(=O)NCCc2sc(-c3ccc(F)cc3)nc2C)c1 9578791 BANWPSPGIKFMGS-UHFFFAOYSA-N 436.530 3.796 0 40 IHAB O=C(CSc1nnc([C@@H]2COc3ccccc3O2)o1)Nc1ccc(N2CCCC2)cc1 9607774 AAJOIDMGTYIHHQ-IBGZPJMESA-N 438.509 3.913 0 40 IHAB Cc1noc(C)c1CSc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1 9661934 UIPTZWHULIVMPD-UHFFFAOYSA-N 434.543 3.808 0 40 IHAB CCOC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2C)c1 10441788 UMUFXYXYJXHCAY-UHFFFAOYSA-N 444.553 3.845 0 40 IHAB CC(=O)Nc1ccc(-c2csc(NC(=O)[C@@H]3CCCN3C(=O)c3ccco3)n2)c(F)c1 10994217 JTVPGRVECBMGNC-KRWDZBQOSA-N 442.472 3.744 0 40 IHAB COc1ccc(-c2cc(C(=O)NC(C)(C)CC(C)(C)C)nn2[C@H]2CCS(=O)(=O)C2)cc1 11997038 LMUVPPNSHPLXQU-KRWDZBQOSA-N 447.601 3.863 0 40 IHAB O=C(OCc1ccccc1)[C@@H]1[C@H]2C=C[C@]3(CN(c4cccc(C(F)(F)F)c4)C(=O)[C@H]13)O2 12376514 VYTHPKMZKZLIDA-NXWNEQKCSA-N 429.394 3.735 0 40 IHAB CC[C@]1(C(=O)c2ccccc2)[C@@H]2c3cc(Br)ccc3OC(=O)[C@@]21C(=O)OC 12418984 SPEZWJOIRKUOFO-DQLDELGASA-N 429.266 3.904 0 40 IHAB Cc1nc2cc(C(=O)Nc3ccc(S(=O)(=O)N(C)C)cc3)ccc2n1-c1ccccc1 12531348 FQWURFFCSYDHGP-UHFFFAOYSA-N 434.521 3.837 0 40 IHAB O=C(CCN1C(=O)CSc2ccccc21)Nc1cccc(I)c1 12877570 YYHOUOUROHBQIG-UHFFFAOYSA-N 438.290 3.759 0 40 IHAB CC(C)(C)C(=O)COC(=O)c1ccccc1SCC(=O)NCCOc1ccccc1 12983558 BCRDHNZXNZGNLE-UHFFFAOYSA-N 429.538 3.746 0 40 IHAB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N(C)CC(=O)NCc2ccco2)cc1 13002441 VCGFKLDPSYJKEI-UHFFFAOYSA-N 444.491 3.529 0 40 IHAB O=C(CCCCCNC(=O)N1CC(=O)Nc2ccccc21)NCc1ccc(Cl)cc1 13571153 GDFAHHSXAZAABP-UHFFFAOYSA-N 428.920 3.685 0 40 IHAB CC[C@@H](C(=O)N1CCN(c2ccc(-c3ccc4c(c3)OCO4)nn2)CC1)c1ccccc1 13658903 BMXMQILZSCNEEG-HXUWFJFHSA-N 430.508 3.715 0 40 IHAB Cc1nn(-c2ccccc2)c2nc3[nH]c(=O)[nH]c(=O)c3c(-c3ccc(Br)cc3)c12 13682332 MCOXLZAODDHSER-UHFFFAOYSA-N 448.280 3.688 0 40 IHAB Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N4CCN5CCC[C@@H]5C4)c3N2)cc1 15931277 GQFMRZHRGJJHOH-NEWSRXKRSA-N 433.478 3.772 0 40 IHAB COc1cccc(NC(=O)CN(C)[C@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)c1 16622959 ARYAKDKHTHUUKX-DEOSSOPVSA-N 433.508 3.954 0 40 IHAB Cc1ccc(S(=O)(=O)NCCc2csc3nc(-c4cccc(F)c4)nn23)cc1C 17053110 VWNCZZQYIYDHGU-UHFFFAOYSA-N 430.530 3.735 0 40 IHAB COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3cccnc3)nn2[C@H]1c1cccnc1 17243831 AMSXWBOCMYFMHU-NRFANRHFSA-N 439.479 3.671 0 40 IHAB CN(Cc1ccc(Cl)s1)C(=O)CN(c1nccs1)S(=O)(=O)c1ccccc1 19355538 QHPZHMXOPOJGJN-UHFFFAOYSA-N 441.987 3.712 0 40 IHAB COc1ccccc1-c1ccccc1C[C@H]1CN(C(=O)c2cccc(F)c2)CCNC1=O 19571799 DJWSJAHGHPLLIF-FQEVSTJZSA-N 432.495 3.932 0 40 IHAB NC(=O)c1sc2ccccc2c1[C@H]1CN(Cc2cn(CCCO)c3ccccc23)CCO1 19697595 SEYJBRMAMOXKSR-OAQYLSRUSA-N 449.576 3.911 0 40 IHAB COc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)N(C)C(=O)[C@H](C)O4)cs2)cc1OC 19796687 PCCPFUJSRUHDHK-LBPRGKRZSA-N 439.493 3.823 0 40 IHAB O=C(/C=C/c1cn(Cc2ccccc2)nn1)N1CCN(Cc2cccc3ccccc23)CC1 23936400 IJYPMGYPRCRJCN-BUHFOSPRSA-N 437.547 3.837 0 40 IHAB CN(c1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1)S(=O)(=O)c1cccs1 26113999 CANNSMATVLITPO-UHFFFAOYSA-N 430.507 3.597 0 40 IHAB O=C(/N=c1\sccn1Cc1ccccc1Cl)c1cccc(N2C(=O)CCC2=O)c1 26362642 NPQQODBXESCSGN-LNVKXUELSA-N 425.897 3.646 0 40 IHAB O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)[C@H](Cc1ccccc1)n1cnnn1 26923078 YZNHVROMKWHQIY-RDGATRHJSA-N 436.519 3.887 0 40 IHAB O=C(/C=C/c1cnn(Cc2ccccc2)c1)OCC(=O)N1CCc2[nH]c3ccccc3c2C1 27509707 JVQGKJCDBIYTQG-ZHACJKMWSA-N 440.503 3.554 0 40 IHAB CC(=O)c1ccc(N2CCN(C(=O)CN3CCC(Cc4ccccc4)CC3)CC2)c(F)c1 28904938 JROFZFGPMUPHBZ-UHFFFAOYSA-N 437.559 3.632 0 40 IHAB C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)Nc1ccc(OC(F)(F)F)cc1 29753374 IEULPVJSVWADBU-NRFANRHFSA-N 447.413 3.913 0 40 IHAB CCOc1ccc(N2C[C@H](C(=O)N[C@H](CC(=O)OC)c3ccc(Cl)cc3)CC2=O)cc1 30993031 VZHACZYUJYNUOB-OXQOHEQNSA-N 444.915 3.512 0 40 IHAB COC(=O)c1cc(NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)c(F)cc1F 31027946 CIKNTGKUFPYZQR-UHFFFAOYSA-N 435.404 3.571 0 40 IHAB CCOc1ccc(-c2cc(C(=O)NC[C@@H](c3cccs3)N3CCOCC3)no2)cc1 32622780 LHABZMVQVMBCLK-IBGZPJMESA-N 427.526 3.605 0 40 IHAB Cc1c(Br)c2ccccc2n1CC(=O)N1CCN(C(=O)c2ccccc2)CC1 40149025 LLDZRFJKABBWPW-UHFFFAOYSA-N 440.341 3.697 0 40 IHAB Cc1cccc(N2CCN(CC(=O)Nc3ccc(I)cc3)CC2)c1C 57851800 SAFSRTVQVIOUMS-UHFFFAOYSA-N 449.336 3.669 0 40 IHAB O=C(COC(=O)Cn1ccc(=O)c2ccccc21)Nc1ccccc1Oc1ccccc1 58168138 MUOLPNKWHZQBOH-UHFFFAOYSA-N 428.444 3.976 0 40 IHAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H]2CCCO[C@@H]2c2ccc(C)cc2)c1 72307245 XDZNMDWLEBRIAO-FCHUYYIVSA-N 430.570 3.676 0 40 IHAB CC(C)(NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)C(=O)NCC1CCCCC1 89620963 QRYNTDTWPOFHOJ-BUHFOSPRSA-N 439.600 3.530 0 40 IHAB CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)N2CCCc3ccc(F)c(F)c32)s1 95457515 KSJGTAXMJCCDAH-UHFFFAOYSA-N 442.553 3.873 0 40 IHAB O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCC[C@@H](n2nccc2C(F)(F)F)C1 95466070 NQGLUIPOBSIQLU-LLVKDONJSA-N 443.369 3.826 0 40 IHAB COc1ccc(/C=C/C(=O)N[C@H](c2cccc(C(F)(F)F)c2)c2nc[nH]n2)c(OC)c1 96011957 NMAKNGPFKDXDNC-QRBZPYHOSA-N 432.402 3.760 0 40 IHAB O=C(Nc1ccc2c(c1)OCCO2)O[C@H]1COCCN(c2nc3ccccc3s2)C1 96269053 ICBMMHQGPCBFSC-OAHLLOKOSA-N 427.482 3.521 0 40 IHAB biogenic,in-vitro Cc1nc2sc([C@H](c3ccc(F)cc3)N3CCN(Cc4ccccc4)CC3)c(O)n2n1 96809886 PFQMQVYFDWAUCW-FQEVSTJZSA-N 437.544 3.851 0 40 IHAB CCSc1nnc(NC(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)s1 97994249 AAWIGVZHQOPUBI-SDNWHVSQSA-N 425.499 3.533 0 40 IHAB COc1ccc(Cn2c(=O)[nH]c3ccccc3/c2=N\C(=O)Nc2cccc(OC)c2)cc1 101113905 XUNNAOAYYDOFSH-HPNDGRJYSA-N 430.464 3.528 0 40 IHAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)C1 101840823 VYPPDNVTGFRTIM-QMHKHESXSA-N 437.569 3.628 0 40 IHAB COc1ccc(-c2noc(CNC(=O)[C@H](C)Oc3ccc4ccccc4c3)n2)c(OC)c1 219033807 PRMXLHKIQGJVPQ-HNNXBMFYSA-N 433.464 3.991 0 40 IHAB COc1ccc(-c2noc(CN(C)C(=O)C3CCN(Cc4ccccc4C)CC3)n2)cc1 219405741 LGOYNXUUHCBVCU-UHFFFAOYSA-N 434.540 3.924 0 40 IHAB CCCOc1ccccc1CCCNC(=O)[C@H](C)N(c1cccc(F)c1)S(C)(=O)=O 220487871 VCSOPILJXMZGSN-KRWDZBQOSA-N 436.549 3.518 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)N[C@H]1CCCc2ccccc21 223279698 VWOBQUGQJNXATG-QFIPXVFZSA-N 442.581 3.606 0 40 IHAB CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(Cl)cc1Cl 224008703 KQAGAMHSXLUSHQ-AWEZNQCLSA-N 439.339 3.934 0 40 IHAB CC(C)c1ccccc1N(CCCC(=O)NCCOc1ccc(F)cc1)S(C)(=O)=O 224840189 OMLSFHTYNFYSLO-UHFFFAOYSA-N 436.549 3.691 0 40 IHAB C[C@H]1CCCCN1c1cc(N2CCC[C@@H](C)C2)nc(NC(=S)NC[C@@H]2CCCO2)n1 225908302 KDTJUBCYDWUYBH-SQNIBIBYSA-N 432.638 3.557 0 40 IHAB Cc1nc([C@H]2CCN(Cc3ccc(C(C)C)cc3)C2)nc(C)c1CC(=O)N1CCOCC1 257239907 HRHZBALLCWFRPU-QHCPKHFHSA-N 436.600 3.608 0 40 IHAB Cc1ccc(Nc2cc(C)nc([C@@H]3CCCN(S(=O)(=O)c4cn(C)cn4)C3)c2)cc1 257292860 QNFZIZGCZBIPMX-GOSISDBHSA-N 425.558 3.744 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)CCc3ccccc3)CC2)cc1C 408584715 UCJLTVTWKVDFAM-IBGZPJMESA-N 444.597 3.542 0 40 IHAB CCCN1C(=O)N/C(=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)c(Cl)c2)C1=O 409227213 UKKNHIVLKMGVAO-LDADJPATSA-N 427.888 3.969 0 40 IHAB C[C@H](NC(=O)COc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1)c1ccccc1 409323728 POYWBILRZORXQG-IBGZPJMESA-N 438.549 3.764 0 40 IHAB C[C@@H](NC(=O)c1cnc2nc(O)nc(O)c2c1)c1ccc(NC(=O)Nc2ccccc2)cc1 515428304 KHSUENPYGHZPOD-CYBMUJFWSA-N 444.451 3.571 0 40 IHAB Cc1cc(Nc2ncc(Cl)s2)nc(C2CCN(C(=O)[C@H]3CCCC[C@H]3N)CC2)n1 585263597 RLKKEVCBMKTKQM-LSDHHAIUSA-N 434.997 3.862 0 40 IHAB CC(C)C(=O)N1CCO[C@@](COc2ccc(F)cc2)(CC(=O)N(C)Cc2ccccc2)C1 585287469 XPAZQNIONLXIBG-VWLOTQADSA-N 442.531 3.507 0 40 IHAB O=C(c1cc(-c2ccccn2)nc2ccccc12)N1C[C@@H]2C[C@H](C1)CN1C(=O)CCC[C@@H]21 604404778 RRLBNDVYKRUYHB-YTZAWJCFSA-N 426.520 3.770 0 40 IHAB biogenic O=S(=O)(CCCc1ccccc1)N1CCO[C@@H](c2cccc(Nc3nccs3)n2)C1 643550614 LDFQJPUCVUYUCY-LJQANCHMSA-N 444.582 3.618 0 40 IHAB Cc1ccnn1CCC(=O)N1CCC[C@]2(CCCCCOc3ccccc3C(=O)NC2)C1 643559565 RZMSQTQOEBUELN-VWLOTQADSA-N 438.572 3.573 0 40 IHAB C[C@H](NS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2F)cc1)c1ccccc1 665241 KGSMLEWQYOCSEE-INIZCTEOSA-N 428.485 3.883 0 40 IHAB Cc1c(C)c2ccc(OCC(=O)N3CCC(C(=O)O)(c4ccccc4)CC3)c(C)c2oc1=O 2115879 DUGCQBOAAOTXDO-UHFFFAOYSA-N 449.503 3.742 0 40 IHAB biogenic COC(=O)c1[nH]c2ccc(Br)cc2c1NS(=O)(=O)c1ccc(F)cc1 2319574 VSPJZSQHLOUMFL-UHFFFAOYSA-N 427.251 3.657 0 40 IHAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(I)cc3C)CC2=O)cc1 3084850 SQQSKKKCGZAMDI-CQSZACIVSA-N 434.277 3.900 0 40 IHAB Cc1nc2ccc(NC(=O)c3cccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)c3)cc2s1 3330304 OTLXSFRIGGQCOT-KBPBESRZSA-N 445.566 3.655 0 40 IHAB O=C(COc1ccc(Cl)cc1Br)NC(=O)Nc1ccc2c(c1)OCCO2 3510383 ZZKXFZNEUVOISW-UHFFFAOYSA-N 441.665 3.601 0 40 IHAB CC1=C[C@@H]([C@@H]2CC(=O)N(c3ccccc3C)C2=O)C[C@H]2C(=O)N(c3ccccc3C)C(=O)[C@H]12 8443402 JQRMVDOOOSTCBW-ZBNTXBBCSA-N 442.515 3.955 0 40 IHAB COc1cccc(CN(C(=O)c2oc3cc(C)ccc3c2C)[C@H]2CCS(=O)(=O)C2)c1 8612140 SWKSEOVXBSPNQG-SFHVURJKSA-N 427.522 3.888 0 40 IHAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)Cc2csc(N3CCCC3=O)n2)cc1 8707779 LKHUELPYNWXFCH-UHFFFAOYSA-N 448.548 3.690 0 40 IHAB COc1ccc(/C=C(/NC(=O)c2ccco2)C(=O)Nc2ccc(C(C)=O)cc2)cc1OC 8742702 MPINGERPXHJWCQ-CPNJWEJPSA-N 434.448 3.909 0 40 IHAB COC(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)c(F)c2)cc1 8810875 OGFFTIRFKWLUGZ-UHFFFAOYSA-N 446.431 3.805 0 40 IHAB Cc1cccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(Cc3ccccc3Cl)c(=O)n2C)c1 9089131 WVXOGSIBEVWLGJ-INIZCTEOSA-N 449.942 3.695 0 40 IHAB CN1C(=O)C(C)(C)COc2cc(NS(=O)(=O)c3ccccc3Br)ccc21 9165489 CUURCJYUPYQASA-UHFFFAOYSA-N 439.331 3.631 0 40 IHAB COc1cc([C@@H]2N=C(O)c3c(sc4c3CCN(C)C4)N2)cc(Br)c1OC 9186662 IHUCTIGFIGRWBE-MRXNPFEDSA-N 438.347 3.945 0 40 IHAB CCn1c(=O)c(C)nc2cc(C(=O)O[C@H](C)C(=O)Nc3ncc(Cl)cc3Cl)ccc21 9244658 CPUUCXCARMIUCS-LLVKDONJSA-N 449.294 3.611 0 40 IHAB CCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)NCc2cccs2)ccc1OC 9282906 HBGBUEPAPPQCPC-UHFFFAOYSA-N 444.578 3.898 0 40 IHAB Cc1nnc(SCC(=O)N(C)CC(=O)Nc2ccccc2Cl)n1C1CCCCC1 9284008 BOSGZKUCWRBOIT-UHFFFAOYSA-N 435.981 3.934 0 40 IHAB CCOC(=O)Cc1csc(NC(=O)c2csc(NC(=O)Nc3ccccc3)n2)n1 9317421 CHNBZEAWXUFLHJ-UHFFFAOYSA-N 431.499 3.602 0 40 IHAB Cc1c(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)c(=O)oc2c(C)c(O)ccc12 9423013 QVPFHSUJCJVDCF-UHFFFAOYSA-N 426.900 3.660 0 40 IHAB Cc1c(CC(=O)NCCCN2CCCC2=O)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 9429824 YILCPSWFOGNSNO-UHFFFAOYSA-N 438.524 3.816 0 40 IHAB Nn1c(Cc2cccc3ccccc23)nnc1SCC(=O)NCc1ccccc1Cl 9442550 PQBZIEOKYQKZQF-UHFFFAOYSA-N 437.956 3.798 0 40 IHAB CC(=O)CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)c(C)c1 9509457 RSBSJRKKXUDLHX-UHFFFAOYSA-N 439.331 3.866 0 40 IHAB CCn1c(SCC(=O)Nc2cc(OC)ccc2OC)nnc1-c1cccc(OC)c1 9562171 ZLIRWIRTKAQYTD-UHFFFAOYSA-N 428.514 3.722 0 40 IHAB Cc1cccc(-n2ncc3c(O)nc(SCC(=O)N4CCCc5ccccc54)nc32)c1 9595027 WMWXVUDUYPGXFJ-UHFFFAOYSA-N 431.521 3.901 0 40 IHAB COc1ccc(C)cc1-n1nnnc1SCC(=O)c1cc(C)n(C[C@@H]2CCCO2)c1C 9715915 MSRHWDFYXDXWSU-KRWDZBQOSA-N 441.557 3.552 0 40 IHAB O=C(Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)NCCc1cccc(F)c1 9919689 NBGHMOFJIIUDBO-UHFFFAOYSA-N 430.476 3.667 0 40 IHAB COc1cccc(-c2nnc(O)c3c2[C@H](c2ccc(Cl)cc2Cl)n2nnnc2N3)c1 10297002 JLAUMEMESRFMIR-KRWDZBQOSA-N 442.266 3.846 0 40 IHAB CC(C)NC(=O)c1ccccc1NC(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 10334534 TWLGBXINEBHGAU-UHFFFAOYSA-N 445.585 3.527 0 40 IHAB O=C(COC(=O)c1ccc(-c2ccc(O)cc2)cc1)NC1CCN(Cc2ccccc2)CC1 11648512 GQXOLCOVUJSIQR-UHFFFAOYSA-N 444.531 3.997 0 40 IHAB O=C(Nn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O)c1cc(Cl)ccc1Cl 11665756 PGBGOFJHMKGTMV-UHFFFAOYSA-N 434.670 3.926 0 40 IHAB O=C(COc1ccc(Cl)cc1)NCCCn1nc(-c2ccc(Cl)cc2)ccc1=O 11738391 FBYQAVIQXVTTAT-UHFFFAOYSA-N 432.307 3.802 0 40 IHAB O=C(NC1(c2ccc3c(c2)OCO3)CCCC1)c1ccc(N2CCCCS2(=O)=O)cc1 12155649 PAQCOKIXPCBVBF-UHFFFAOYSA-N 442.537 3.545 0 40 IHAB CCOC(=O)c1ccc(NC(=O)c2ccc(Cl)c(N3CCCCS3(=O)=O)c2)cc1 12195229 XHDMGDYWTPWFBY-UHFFFAOYSA-N 436.917 3.699 0 40 IHAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NC[C@@H](c3ccccc3)N(C)C)c2)cc1 12605288 BFDGREPCUILVGF-QHCPKHFHSA-N 437.565 3.829 0 40 IHAB O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(Cl)c(Cl)c1 12754853 KLHVXJMNTUNHEV-FPYGCLRLSA-N 441.336 3.666 0 40 IHAB COc1ccc([C@H](C)NC(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)cc1F 12758804 YBILBPGMLCWUOD-VMEIHUARSA-N 446.544 3.724 0 40 IHAB O=C(/C=C/c1ccc(OC(F)(F)F)cc1)NC[C@@H](c1cccs1)N1CCOCC1 12860904 NTUUSFBPISBMIL-JZLODUJNSA-N 426.460 3.850 0 40 IHAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NCCc1cccc(Cl)c1 12981203 DCTFYWYOIWKCCX-UHFFFAOYSA-N 425.842 3.705 0 40 IHAB Cc1ccc(N2C(=O)C[C@H](C(=O)Nc3cccc(-n4cnnn4)c3)[C@@H]2c2cccs2)cc1 13062983 YIYIFXGTUDAHMS-SIKLNZKXSA-N 444.520 3.765 0 40 IHAB CCOc1ccc([C@@H](c2nnnn2C(C)(C)C)N2CCN(c3ccc(F)cc3)CC2)cc1 13503997 PNZNKFPDALSJQZ-QFIPXVFZSA-N 438.551 3.878 0 40 IHAB COCCn1c(SCC(=O)Nc2ccc(N3CCCC3)cc2)nnc1-c1ccoc1C 13512589 XXQUPPKATUDPLB-UHFFFAOYSA-N 441.557 3.824 0 40 IHAB Sc1nnc(Cn2c(-c3ccccn3)nc3ccccc32)n1-c1ccc2c(c1)OCCO2 13598685 FALMRISDPCTNLZ-UHFFFAOYSA-N 442.504 3.787 0 40 IHAB COc1ccc2nc(-c3ccc(C)c(NC(=O)[C@@H](C)Oc4ccc5c(c4)OCO5)c3)cn2n1 13710764 BLCDQORHLSBUJF-OAHLLOKOSA-N 446.463 3.848 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1C(=O)c1oc2ccccc2c1C 14237485 AYXGRBOGHGDEAA-JOCHJYFZSA-N 428.492 3.857 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1ccc(C)c(F)c1)n2C 15084517 BQLGRCHNWUJEIV-UHFFFAOYSA-N 446.548 3.623 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(OC)c3OC)cc2)cc1 15439173 OVRIHPRXJBRNIL-UHFFFAOYSA-N 442.493 3.766 0 40 IHAB COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCc2cc(O)c(OC)cc2[C@@H]1C 16040402 HZIQJWMOYLBHSV-AWEZNQCLSA-N 437.496 3.535 0 40 IHAB biogenic O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1CC(=O)N(c1ccccc1)C1CCCCC1 16046693 ZGKLLSYTHWVXCL-QHCPKHFHSA-N 444.535 3.997 0 40 IHAB CCOC(=O)c1cc(OC)c(OC)cc1NC(=O)CSc1nnc(C)c2ccccc12 16687749 FLBXJSPQYFVXNG-UHFFFAOYSA-N 441.509 3.863 0 40 IHAB COc1ccc(CNC(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 19367775 AXCUSJYWTYWUBJ-UHFFFAOYSA-N 429.564 3.719 0 40 IHAB O=C(c1ccccc1)N1CCCC[C@H]1c1nc(O)c2c(n1)CN(Cc1ccncc1)CC2 19368817 YSFOPJIZZYMOOT-QFIPXVFZSA-N 429.524 3.503 0 40 IHAB CC[C@H]1CCCCN1CC(=O)N1CCC([C@@H]2C[C@H](C(F)(F)F)n3nc(C)cc3N2)CC1 19500940 VRJGALMUIAAGAP-GBESFXJTSA-N 441.542 3.982 0 40 IHAB CCCN1CCN(C(=O)c2cn(C)cn2)C[C@H](Cc2cccc(-c3cccs3)c2)C1=O 19503099 RZNHKWYBVWBQMP-FQEVSTJZSA-N 436.581 3.702 0 40 IHAB O=C(CCc1ccccc1)N1CC[C@@H](c2c(C(=O)N3CCOCC3)sc3ncccc23)C1 19702373 WPUJFFHWGNBPBU-LJQANCHMSA-N 449.576 3.717 0 40 IHAB Cc1cc(CCCC(=O)N2CCO[C@H](c3c(C(N)=O)sc4ncccc34)C2)ccc1F 19703236 XNTOMWJBEDRLSK-SFHVURJKSA-N 441.528 3.766 0 40 IHAB COc1cc2c(cc1CN1[C@H](c3ccccc3F)C[C@@H]3NC(=O)CCC[C@H]31)OCCO2 19711740 MOOHOYSNCAMTJG-ZCNNSNEGSA-N 426.488 3.590 0 40 IHAB Cc1ccc(-c2ncc(CN3CCC(c4nc(C)c5c(n4)N(C)C(=O)CC5)CC3)cn2)cc1 19739357 WZJPENIASKRIEE-UHFFFAOYSA-N 442.567 3.839 0 40 IHAB O=C(NCc1ccc(Cl)cc1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 19860806 IZBLWXDDCNVPMA-QGZVFWFLSA-N 441.380 3.852 0 40 IHAB CCOc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3cccc(Cl)c3)C2)c1 19866422 DJIYRLWVJBJSTM-QGZVFWFLSA-N 436.961 3.919 0 40 IHAB C[C@@H](NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1)c1ccc(F)cc1 20050687 QUTLQRVJUFZHRA-ZHRRBRCNSA-N 440.496 3.659 0 40 IHAB CN(C(=O)CN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)C1CCCCC1 20215778 RXNYULYWGUQDGG-MQSUGXTHSA-N 428.532 3.670 0 40 IHAB CCn1cc(C(=O)OCC(=O)NCC(=O)Nc2cccc(Cl)c2C)c2ccccc21 21733182 LTKNYXDHNVOEDO-UHFFFAOYSA-N 427.888 3.535 0 40 IHAB CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O 22102837 ZVVCGFNPWQUFIO-HEXHBIBGSA-N 443.544 3.571 0 40 IHAB CCN(c1cc(OC)c(OC)cc1C(=O)Nc1ccc(Cl)cc1C)S(C)(=O)=O 22251947 VQFJQXVVAZXRIO-UHFFFAOYSA-N 426.922 3.704 0 40 IHAB COc1ccc(CCCNC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 22361843 HPSQTVCRTHYBPD-UHFFFAOYSA-N 445.368 3.517 0 40 IHAB Cc1ccc(Nc2nc(N)nc(CN3CCN(Cc4ccc(Cl)s4)CC3)n2)cc1 22792659 GAACDHVCYGWFOK-UHFFFAOYSA-N 429.981 3.539 0 40 IHAB Cc1ccc(Oc2nc3ccccc3n3c(=O)n(CC(=O)Nc4ccc(F)cc4)nc23)cc1 23126126 AZFVDXVZFNEZML-UHFFFAOYSA-N 443.438 3.923 0 40 IHAB CCN1CCN(c2ccc(Cl)cc2NC(=O)CCNC(=O)c2ccccc2Cl)CC1 23139632 PEFMOACZDIUPLE-UHFFFAOYSA-N 449.382 3.894 0 40 IHAB COc1ccc(OC)c(NC(=O)[C@@H](C)OC(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)c1 24199771 NQHFCASTYNIFBM-QVKFZJNVSA-N 438.480 3.538 0 40 IHAB COc1ccc(OCCN(C)C(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)cc1 24832267 MCJQIPBEGWXULL-UHFFFAOYSA-N 444.487 3.642 0 40 IHAB COc1cccc([C@@H](NC(=O)NCc2cccc(CN3CCCC3)c2)c2nccn2C)c1 28391258 HIKBENFUAUGLFF-HSZRJFAPSA-N 433.556 3.613 0 40 IHAB O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)NCCNC(=O)c1ccccc1 32908213 LFQSRZHOFZSTLY-QFIPXVFZSA-N 449.938 3.747 0 40 IHAB O=C1N=C(O)[C@@]2(Cc3cc(C(F)(F)F)ccc3N3CCOC[C@H]32)C(=O)N1c1ccccc1 33429085 ZPPJXXSXZFDYCE-UWJYYQICSA-N 445.397 3.576 0 40 IHAB C#CCOc1ccc(/C=C2/C(=O)N(Cc3ccco3)C(=O)N=C2O)cc1Br 34746451 WNCBSQHUXRHXSP-NTEUORMPSA-N 429.226 3.556 0 40 IHAB Cc1sc(NC(=O)CN(Cc2ccccc2)C(=O)c2ccccc2F)c(C(N)=O)c1C 35312688 FXINWJKQRCRWJG-UHFFFAOYSA-N 439.512 3.884 0 40 IHAB CCOc1ccc([C@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@H](C)Nc3ncnn32)cc1OC 36701696 QXSDTSZGRXHZRE-MRFFXTKBSA-N 441.919 3.997 0 40 IHAB C[C@H]1CCCC[C@]12NC(=O)N(CCC(=O)Nc1ccccc1C(=O)c1ccccc1)C2=O 40025000 BTBJYRVOIKYQLH-GKVSMKOHSA-N 433.508 3.747 0 40 IHAB Cc1noc2nc(-c3ccccc3F)cc(C(=O)N3CCC[C@H](C(=O)NCC(C)C)C3)c12 40117736 OCPFHYZJQZPSAE-INIZCTEOSA-N 438.503 3.962 0 40 IHAB CCCOc1ccc(S(=O)(=O)NCC2CCN(C(=O)c3ccccc3F)CC2)cc1C 43962590 RBYAHRLGSAKWFN-UHFFFAOYSA-N 448.560 3.754 0 40 IHAB Cc1ccc(NC(=O)Cn2cc(C(=O)N3CCCCC3)c(=O)c3ccc(C)nc32)c(C)c1 49002200 NPGMKJYUZZIULV-UHFFFAOYSA-N 432.524 3.587 0 40 IHAB O=C(Cc1cccs1)NC1CCN(C(=O)c2cc(-c3cccc(Cl)c3)n[nH]2)CC1 49406796 WMKMRUGQPDOXNQ-UHFFFAOYSA-N 428.945 3.755 0 40 IHAB O=C([C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1)N1CCN(c2ccccc2Cl)CC1 57416619 GCDXJRPGNOEICG-AWEZNQCLSA-N 436.314 3.834 0 40 IHAB CN(CCCC(=O)N1CCCCC[C@@H]1c1ccncc1)S(=O)(=O)c1ccc(F)cc1 59254065 MMASGWGGHUPAGO-OAQYLSRUSA-N 433.549 3.765 0 40 IHAB CCC(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2CC)nc1O 64774726 SQEUKIZZWHVIEM-UHFFFAOYSA-N 437.525 3.886 0 40 IHAB COc1ccc2nc(N3CCN(CCNC(=O)c4ccc(Cl)s4)CC3)sc2c1 70722405 MSJVFYAVORXMQN-UHFFFAOYSA-N 436.990 3.572 0 40 IHAB COc1ccccc1[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)C1CCCCC1)N1CCCCC1 72272710 YWKJMAUFUWKFFU-XZOQPEGZSA-N 441.616 3.910 0 40 IHAB Cc1ccc2c(c1)nc(CCNC(=O)Nc1ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c1)n2C 72289115 AMVWQNXTMUOTJJ-IAGOWNOFSA-N 439.535 3.999 0 40 IHAB COc1ccc(CCC(=O)N2CCN(c3ccccc3)C[C@H](Cc3cnccn3)C2)cc1 72353551 PJIQGITVUOWTMI-QFIPXVFZSA-N 430.552 3.626 0 40 IHAB CCCn1cc(S(=O)(=O)N2CCC(c3cccc(Nc4cc(C)on4)n3)CC2)c(C)n1 72376186 YIGUSNNPVNCMRC-UHFFFAOYSA-N 444.561 3.605 0 40 IHAB CCc1nccn1CCC(=O)N1CCC[C@@H]1c1nc(N(C)C)ncc1-c1cccc(OC)c1 72376617 AVDINHSIKPSSHU-OAQYLSRUSA-N 448.571 3.731 0 40 IHAB Cc1cc2ccccc2n1CC(=O)N1CCC[C@H](c2cc(C(F)(F)F)n3ncnc3n2)C1 72393671 WPGZRSLEKSCWDA-INIZCTEOSA-N 442.445 3.812 0 40 IHAB Cc1cc(C)c(S(=O)(=O)N2CCc3nc(NC(=O)c4ccco4)sc3C2)c(C)c1 77143976 VXWBQSXYJBAPLI-UHFFFAOYSA-N 431.539 3.661 0 40 IHAB COc1ccc(Br)cc1S(=O)(=O)NCCOc1ccccc1C(C)C 78923817 VJEKLZIBULGTCE-UHFFFAOYSA-N 428.348 3.938 0 40 IHAB CS(=O)(=O)NCC[C@H]1CCCCN1c1ncnc2scc(-c3ccc(F)cc3)c12 79017460 SEPCSIFHBSIMMS-MRXNPFEDSA-N 434.562 3.796 0 40 IHAB CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)Nc1ccc(C(N)=O)c(Cl)c1 95408312 HLRPZXPQAACJEJ-QGZVFWFLSA-N 430.936 3.663 0 40 IHAB Cc1ccc(NC(=O)[C@H]2[C@H]3NC(=O)N[C@@]2(C)Oc2ccc(Br)cc23)c(C)c1 101353187 GGSBWXAQPNQDLX-UWVAXJGDSA-N 430.302 3.783 0 40 IHAB Cc1ccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1C 102086886 PETUBCLFDBJPKL-UNVPUSBVSA-N 440.543 3.906 0 40 IHAB C[C@H]1C[C@@H](C)CN(C[C@H](C)NC(=O)C2(NC(=O)OC(C)(C)C)Cc3ccccc3C2)C1 106913912 FMCKSYYAAFCCQH-OTWHNJEPSA-N 429.605 3.531 0 40 IHAB CC(=O)OC[C@]12CC[C@H]3[C@@H](C[C@H](OC(C)=O)[C@H]4CC(=O)CC[C@@]43C)[C@@H]1C[C@@H](OC(C)=O)C2 118929150 IHYPOAFAUZNFQR-XQLIIZMISA-N 448.556 3.615 0 40 IHAB COc1ccc(OC)c(N(CC(=O)NC2CCCCCC2)S(=O)(=O)c2ccccc2)c1 141596485 RAZIHURXICFLGY-UHFFFAOYSA-N 446.569 3.738 0 40 IHAB CCOC(=O)c1cc(NC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)ccc1Cl 216311300 GAFCVCOZFFMSOO-CQSZACIVSA-N 438.933 3.618 0 40 IHAB COc1cc(N(CC(=O)Nc2cccc(Cl)c2C)S(C)(=O)=O)c(OC)cc1Cl 220055557 KIGWIUNZUIVVHY-UHFFFAOYSA-N 447.340 3.724 0 40 IHAB CS(=O)(=O)N(CC(=O)Nc1ccc(OCc2ccccc2)cc1)c1ccc(F)cc1F 220083786 ZZUWVRJRJKCWRI-UHFFFAOYSA-N 446.475 3.949 0 40 IHAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 222927782 MOJZJKYWSAVHHN-JOCHJYFZSA-N 444.597 3.675 0 40 IHAB COc1ccc(C(=O)N2C[C@H](C(=O)NCCc3ccccc3)Oc3ccccc32)cc1C 222961817 FMOFHGXKRZIYIA-XMMPIXPASA-N 430.504 3.770 0 40 IHAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccn(-c3ccccc3)c2)N1CCCN1CCOCC1 223205949 YRPHDKCIEBBUQP-BJKOFHAPSA-N 447.608 3.567 0 40 IHAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CCc1ccc2c(c1)OCCO2 224551287 KJKMAKRFNWVINK-QFIPXVFZSA-N 438.568 3.970 0 40 IHAB O=C(CCc1ccc(Cl)cc1Cl)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 225369327 CIOPAWSKNHNOFI-UHFFFAOYSA-N 443.352 3.586 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3ccc(C)c(C)c3)CC2)cc1 225500640 OIPIMNYKYYLTKK-GOSISDBHSA-N 430.570 3.590 0 40 IHAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2nc(-c3ccccc3)no2)cc1 225609078 NQWDZHOPYPTFKR-ZHZULCJRSA-N 428.448 3.725 0 40 IHAB COc1cccc2ccc(CN3CCNC(=O)[C@H]3Cc3ccc(-c4cccnc4)cc3)nc12 257326609 WXWBZHZSYKYFLF-XMMPIXPASA-N 438.531 3.849 0 40 IHAB Cc1cc(NC(=O)COC(=O)CCC(=O)NC2CCCCC2)cc(C)c1Br 408646485 OUFXOJYGNXBLJC-UHFFFAOYSA-N 439.350 3.777 0 40 IHAB CCOC(=O)COc1ccc(/C=C2\S[C](Nc3ccccc3F)NC2=O)cc1OCC 408802172 XKGDOMOSCGATLT-UHFFFAOYSA-N 445.492 3.929 0 40 IHAB CCCN1C(=O)N/C(=C/c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(OC)c2)C1=O 409228188 VOTDXEVGHCMUPY-GZTJUZNOSA-N 443.887 3.669 0 40 IHAB CC(C)CCNC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1Cl 409387441 ADWFFFJRHQPCEX-UHFFFAOYSA-N 436.961 3.633 0 40 IHAB Cc1c(C(=O)N2C[C@@H](c3ccccc3)[C@@]3(CCCCC(=O)N3)C2)cccc1N1CCOCC1 585262156 SUZWNLVRPXCWBA-WNCULLNHSA-N 447.579 3.500 0 40 IHAB Cc1ccc(OCC2(O)CCN(CC3(O)CCN(c4ccc(F)cc4)CC3)CC2)c(C)c1 585283179 QSYSUPPEYINHGM-UHFFFAOYSA-N 442.575 3.680 0 40 IHAB CC(=O)N1CCC(CC(=O)N[C@@H](C)CCc2ccccc2)(N2Cc3ccccc3C2=O)CC1 1548348746 SDEYMADZCKKFPP-FQEVSTJZSA-N 447.579 3.551 0 40 IHAB COc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)NCc2ccco2)cc1 812989 ZKUYIMJLSZVCBI-UHFFFAOYSA-N 434.521 3.868 0 40 IHAB CCOC(=O)[C@@H](C)Sc1nc2c(c(=O)n1-c1ccc(Br)cc1)SCC2 2496937 HGYHKUNBWJFZPR-SNVBAGLBSA-N 441.372 3.687 0 40 IHAB COC(=O)C1CCN(C(=O)COC(=O)c2sc3cc(Cl)ccc3c2Cl)CC1 2643462 LJJHBFJXRGEQPW-UHFFFAOYSA-N 430.309 3.777 0 40 IHAB Cc1ccc(-n2c(SCn3nnc4ccccc4c3=O)nnc2-c2ccncc2)cc1C 3567145 BEAVZDITFVVKRM-UHFFFAOYSA-N 441.520 3.801 0 40 IHAB O=C(N[C@H]1CCN2C(=O)c3cc(/C=C/c4ccccc4)ccc3NC(=O)[C@H]12)c1cccs1 8297837 IYEKBYSBTFZQMJ-XGTLJDLRSA-N 443.528 3.884 0 40 IHAB biogenic,in-vitro C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3nc(-c4ccccn4)cs3)cc2)C1 8661009 SIIMRTLNCSHSFX-OAHLLOKOSA-N 442.566 3.878 0 40 IHAB Cc1cccc(OCc2nnc(SCC(=O)N3c4ccccc4NC(=O)C[C@@H]3C)o2)c1 8902084 FSRSUBOHLIVGAZ-HNNXBMFYSA-N 438.509 3.813 0 40 IHAB C[C@]12C(=O)N(Cc3cccc(C(F)(F)F)c3)CC(=O)N1CCc1c2[nH]c2ccc(F)cc12 8918463 VMQVXQNPNJFUEN-QFIPXVFZSA-N 445.416 3.968 0 40 IHAB biogenic CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nc3ccccc3s2)c1 9096861 CNAGQSICYOTUIL-UHFFFAOYSA-N 441.987 3.931 0 40 IHAB Cc1ccc(C2(c3ccc(C)cc3)NC(=O)N(CC(=O)NCc3ccc(F)cc3)C2=O)cc1 9743844 YQRSUDUGTUKRCX-UHFFFAOYSA-N 445.494 3.554 0 40 IHAB Cc1csc(-c2nonc2NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)n1 10026134 DZWCYKLVLYNBFS-UHFFFAOYSA-N 444.476 3.512 0 40 IHAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCCN3CCCC3)ccc2C)cc1C 10112487 HSNFSGQUUHTZFY-UHFFFAOYSA-N 429.586 3.628 0 40 IHAB Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccc(Cl)cc2)cc1 10128254 UUBPGAWMXIICGV-JOCHJYFZSA-N 442.968 3.854 0 40 IHAB Cc1ccccc1-c1noc(CSc2nnc(N3CCOCC3)n2-c2ccccc2)n1 10200435 NPSWJJJIHMIMNU-UHFFFAOYSA-N 434.525 3.755 0 40 IHAB CCCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 12137046 GTXNMUBJYPKRSJ-UHFFFAOYSA-N 440.525 3.935 0 40 IHAB CC(=O)Nc1cccc(NC(=O)CCCNC(=O)N2CCc3c([nH]c4ccccc34)C2)c1 12296908 ROKSHVSRQIMTQE-UHFFFAOYSA-N 433.512 3.613 0 40 IHAB biogenic CCCCC(=O)N1CCN(c2nc3sc4c(c3c(=O)n2CCCC)CCCC4)CC1 12389389 OZSQDVKANBMTMN-UHFFFAOYSA-N 430.618 3.976 0 40 IHAB O=C(CNC(=O)c1ccc2noc(-c3ccccc3)c2c1)Nc1ccc2c(c1)OCCO2 12391867 NRDDYBGBMBJUNE-UHFFFAOYSA-N 429.432 3.635 0 40 IHAB C[C@@H](NC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2C)c1ccc(Cl)c(Cl)c1 12771089 APYQSCUMYAIFRY-XUSGNXJCSA-N 432.307 3.780 0 40 IHAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(=O)n(Cc2ccccc2)n1 12792769 KJLIFACHHADNQY-UHFFFAOYSA-N 447.413 3.588 0 40 IHAB C[C@@H](OC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccc(Cl)cc1)C(N)=O 12797040 DCICHTKZXKXSDL-CQSZACIVSA-N 434.883 3.831 0 40 IHAB CN(C)S(=O)(=O)c1cccc(C(=O)N2CCc3sccc3[C@H]2c2cccs2)c1 12906808 PSEVUPSBJSTSFR-IBGZPJMESA-N 432.592 3.848 0 40 IHAB C[C@H]1CN(Cc2csc(NC(=O)c3ccc(Br)cc3F)n2)C[C@H](C)O1 12978072 CCOVKWRWRBMQSV-QWRGUYRKSA-N 428.327 3.906 0 40 IHAB O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)N[C@H]1CCSc2ccccc21 13112650 UPLVWVWOJVTHQW-FQEVSTJZSA-N 430.595 3.757 0 40 IHAB C[C@H]1Oc2ccc(NC(=O)c3nc(-c4ccccc4)n(-c4ccccc4)n3)cc2NC1=O 13128812 VYLGOMIIFCYUNC-OAHLLOKOSA-N 425.448 3.906 0 40 IHAB Cc1ccc(NC(=O)Cc2nc(CSc3nnnn3-c3ccc(O)cc3)cs2)cc1 13164785 RPKRHXIANGWWAI-UHFFFAOYSA-N 438.538 3.606 0 40 IHAB O=C(NCCSc1ccccc1)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 13681293 GUQRVJWVCMBWME-UHFFFAOYSA-N 446.638 3.570 0 40 IHAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 13714461 ZOUZGQOPFYUBRJ-UHFFFAOYSA-N 439.899 3.957 0 40 IHAB CCc1nnc(NC(=O)CSc2nnc(-c3cc(Cl)ccc3OC)n2CC)s1 14084797 IKSBTCZRFJOIBQ-UHFFFAOYSA-N 438.966 3.772 0 40 IHAB Cn1nnnc1-c1cccc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)c1 14519362 RGZKNJVXJKXLDL-NRFANRHFSA-N 425.448 3.584 0 40 IHAB COc1ccc(OC)c(NC(=O)[C@@H]2C[C@H]3CCCN3[C@@]23C(=O)Nc2ccc(Cl)cc23)c1 15971636 KGDBUUKQJOLCJU-BKTORNKPSA-N 441.915 3.628 0 40 IHAB O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc(OC(F)F)c(Cl)c1 16005197 CALDYINTWKIBNA-UHFFFAOYSA-N 447.843 3.515 0 40 IHAB CCOc1ccc(NC(=O)Cn2cccc(-c3nc(-c4ccc(C)cc4)no3)c2=O)cc1 16843507 HGTURGHAVFGLEE-UHFFFAOYSA-N 430.464 3.911 0 40 IHAB O=C(CCCOc1cccc(F)c1)N1CCC(c2nc(-c3nccs3)cc(=O)[nH]2)CC1 19294262 DASANINGYJWXNG-UHFFFAOYSA-N 442.516 3.598 0 40 IHAB CCNC(=O)[C@]1(Cc2cccc(-c3ccc(F)cc3)c2)CCN(C(=O)c2ccn(CC)n2)C1 19529079 VVLXLWROOSLRTD-SANMLTNESA-N 448.542 3.920 0 40 IHAB COc1cc(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)ccc1OCc1ccccc1 20001759 OYXPDSJSKGWQJR-UHFFFAOYSA-N 440.521 3.711 0 40 IHAB CC(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1 20018908 HKJIXKVRBUBSRX-UHFFFAOYSA-N 434.411 3.549 0 40 IHAB O=C(NCCCc1ccc(Cl)cc1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 20036697 ULXNXGINJWVUNW-INIZCTEOSA-N 426.991 3.551 0 40 IHAB O=C(CCC(=O)c1ccc2c(c1)OCCO2)OCc1nc(-c2ccc(Cl)cc2)no1 22039673 UAGWNPREHFTTTI-UHFFFAOYSA-N 428.828 3.868 0 40 IHAB CCOc1cccc(CNC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)c1 22427815 IZDAUPDEYCGEOQ-UHFFFAOYSA-N 438.549 3.905 0 40 IHAB CCOc1ccc(CN(CC)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)cc1OC 22474711 GJDMLPJNZUKTQB-KRWDZBQOSA-N 425.529 3.680 0 40 IHAB CCn1c(C)cc(O)c([C@@H](c2ccc(Cl)cc2)N2CCN(c3ccccn3)CC2)c1=O 22697090 GFIVSJWEEUVJSL-HSZRJFAPSA-N 438.959 3.842 0 40 IHAB CCCn1c(S[C@@H](C)C(=O)c2c[nH]c3ccccc23)nc2cc(S(N)(=O)=O)ccc21 23044122 NFMWLVPRSOBIHX-ZDUSSCGKSA-N 442.566 3.939 0 40 IHAB O=C(Nc1ccccc1I)c1cccc(NC(=O)[C@@H]2CCCO2)c1 24257378 AYGFDGXLXXZGIY-INIZCTEOSA-N 436.249 3.661 0 40 IHAB COc1ccc(C)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 30755449 MUONWUJFJCAMQL-FQEVSTJZSA-N 430.570 3.617 0 40 IHAB O=C([C@@H](Sc1nnc(COc2ccc(Cl)cc2)o1)c1ccccc1)N1CCOCC1 32741585 DCQCWQUVHHBPMK-IBGZPJMESA-N 445.928 3.994 0 40 IHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 32768319 JKEZWYCWCHQLMY-HNNXBMFYSA-N 443.494 3.984 0 40 IHAB CNC(=O)Nc1ccc(NC(=O)[C@@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)cc1 32903299 CCTBAVBKLZJQTJ-ZDCBYCKXSA-N 426.561 3.734 0 40 IHAB Cc1cccc(C(=O)N2CCC(O)CC2)c1NS(=O)(=O)c1cccc(Cl)c1Cl 32926269 ZPUARNGUHBNUOO-UHFFFAOYSA-N 443.352 3.700 0 40 IHAB CCc1ccc(Oc2cc(N3CCC(C(=O)NCCCOC(C)C)CC3)ncn2)cc1 33312017 TYZRFFFZXJPJRV-UHFFFAOYSA-N 426.561 3.979 0 40 IHAB O=S(=O)(NC[C@@H](c1ccccc1)S(=O)(=O)c1cccs1)c1ccccc1Cl 33326550 RETIAWOUEUODNZ-KRWDZBQOSA-N 441.983 3.895 0 40 IHAB CC(C)C(=O)Nc1ccc2[nH]cc([C@H](C(=O)O)N3CCN(Cc4cccs4)CC3)c2c1 36359856 KOQPIBHUQDXZDN-OAQYLSRUSA-N 440.569 3.767 0 40 IHAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CCC(=O)c2ccc3c(c2)CCC3)CC1 36384749 DXGCCROJANVXDT-UHFFFAOYSA-N 447.579 3.538 0 40 IHAB COc1ccc(-c2nnc3n2[C@@H]2CCCC[C@@H]2N(C(=O)CC[C@@H]2CCCO2)C3)cc1OC 36719607 RFXMNLCSUYOOCS-GBESFXJTSA-N 440.544 3.747 0 40 IHAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)COc3cccc4ccccc34)cc2)n1 38752048 UHIDUAXPYBUEQZ-UHFFFAOYSA-N 448.504 3.757 0 40 IHAB CC(=O)N1CCN(c2ccc(OS(=O)(=O)c3ccccc3-c3ccccc3)cc2)CC1 40058347 FFYNXNCKRHCAGU-UHFFFAOYSA-N 436.533 3.790 0 40 IHAB COc1ccc(CCn2ccc3c(nnc4c(-c5ccccc5)c(C)nn43)c2=O)cc1OC 40390923 VXIDGBMXSIZAGI-UHFFFAOYSA-N 441.491 3.675 0 40 IHAB O=C(CSc1nnc(-c2ccc3c(c2)OCCCO3)n1C1CC1)N1CCCCCC1 64987302 RXOXMQGJGJEYGH-UHFFFAOYSA-N 428.558 3.936 0 40 IHAB C[C@H](C(=O)Nc1cccc(NC(=O)N(Cc2cccnc2)C[C@@H]2CCCO2)c1)n1cccn1 65565653 ZHZFTHXALJFIGR-GCJKJVERSA-N 448.527 3.691 0 40 IHAB Cc1ccc(C)c([C@H]2NC(=O)N(CC(=O)Nc3cccc(C(C)C)c3)C3=C2C(=O)OC3)c1 67288878 VKLJYIHNEMVZOB-HSZRJFAPSA-N 433.508 3.943 0 40 IHAB Cc1cc(NC(=O)[C@H]2CCCN(c3cc(-n4cccn4)ncn3)C2)ccc1Br 70638134 BYBDKHMNPRCNTH-HNNXBMFYSA-N 441.333 3.588 0 40 IHAB C[C@H]1CC[C@H]2[C@H](C)[C@H]3C[C@H](O)[C@H]4[C@@H](C[C@H]5[C@H]4C[C@@H](O)[C@H]4C[C@H](O)CC[C@@]45C)[C@@H]3CN2C1 70688111 OFBFDCQSKGYUKF-QXWXVOIKSA-N 431.661 3.534 0 40 IHAB biogenic CCOC(=O)Cn1nc(C)c2c1N=C(O)C[C@@H]2c1ccc(-c2ccc(C(=O)OC)cc2)o1 71282889 ALAIFKWWUDXKJZ-MRXNPFEDSA-N 437.452 3.925 0 40 IHAB O=C(c1cnc2ccc(Cl)cc2c1N1CCN(c2ncccn2)CC1)N1CCCCC1 72328403 PXRUWGSSVOXGHH-UHFFFAOYSA-N 436.947 3.631 0 40 IHAB CNC(=O)c1cnc(C)nc1[C@H]1CCCN1C(=O)C1(c2ccc(OC)cc2)CCCCC1 72345672 ZYOPUYLDQPJHGI-OAQYLSRUSA-N 436.556 3.719 0 40 IHAB NC(=O)c1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)c1 72358978 GUNKHVWHYMJSJN-LJQANCHMSA-N 439.519 3.673 0 40 IHAB NC(=O)c1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)CCCc3ccccc3)C2)c1 72359170 ZWBGROLXVPYLQR-JOCHJYFZSA-N 428.536 3.971 0 40 IHAB O=C(COc1ccc(F)cc1)N1CC[C@@H](c2cc(CCOc3ccc(F)c(F)c3)[nH]n2)C1 72371700 XOHRWRAMLFCDDS-OAHLLOKOSA-N 445.441 3.843 0 40 IHAB COc1ccc(-c2coc3c4c(cc(OC)c3c2=O)OC(=O)C[C@H]4c2cnn(C)c2)cc1 85875781 LIKOXBJIIFQIOD-INIZCTEOSA-N 432.432 3.652 0 40 IHAB biogenic CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCC1CCN(c2ccncc2)CC1 95459034 ADFWNXRHVJRHFL-OAQYLSRUSA-N 428.964 3.522 0 40 IHAB COc1cnc(N2CCO[C@H](c3ccccc3)C2)nc1N1CCO[C@@H](c2ccccc2)C1 95971343 JUIAFSQAENKTHE-PKTZIBPZSA-N 432.524 3.641 0 40 IHAB O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1ccc(N2CCCCCCC2)c(F)c1 96007947 PXNZTQDUEUJMLT-UHFFFAOYSA-N 427.476 3.693 0 40 IHAB CC(C)(C)n1cc(NS(=O)(=O)c2cc(Br)c(Cl)c(C(=O)O)c2)cn1 96011306 LMHPJLPDDUIEQE-UHFFFAOYSA-N 436.715 3.553 0 40 IHAB O=C(COc1ccc(-c2cc3ccccc3oc2=O)cc1)N[C@@H](CO)Cc1ccccc1 98037172 VFDRAKWXEWCQRT-OAQYLSRUSA-N 429.472 3.559 0 40 IHAB Cc1nn(-c2nc3ccccc3[nH]2)c(O)c1[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1=O 100069137 ILMIMALCGIFKLB-GFCCVEGCSA-N 439.834 3.602 0 40 IHAB CC1=NN(c2ccccc2)C(=O)[C@H]1[C@@H](CC(=O)c1ccc(Br)cc1)C(=O)O 100557304 FGUSFVWQNHUXQZ-SJLPKXTDSA-N 429.270 3.762 0 40 IHAB O=C1C[C@H](N(CCc2ccccc2)C(=O)c2cccc(F)c2)C(=O)N1c1ccc(F)cc1 100570677 BZQNEGBZXJLRFO-QFIPXVFZSA-N 434.442 3.982 0 40 IHAB COC(=O)Cn1/c(=N/C(=O)/C=C/c2ccccc2)sc2cc(Br)ccc21 100876376 BLZNENZSJLUAAS-QMHRBKNCSA-N 431.311 3.779 0 40 IHAB COc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3ccccc3Cl)n2)c(OC)c1 219063206 ZPDMSIQSWTVAMF-CYBMUJFWSA-N 431.876 3.833 0 40 IHAB COC(=O)c1ccc(NCc2cccnc2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 223415587 LBVOZHFECVDNEM-UHFFFAOYSA-N 431.901 3.935 0 40 IHAB CC[C@@H](C(=O)NCCOc1cccc2ccccc12)N(c1ccc(F)cc1)S(C)(=O)=O 223545594 KCPQBRRRHQOEQN-NRFANRHFSA-N 444.528 3.719 0 40 IHAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(F)cc1 223627499 WSYICPCWNFWYJI-OAQYLSRUSA-N 430.520 3.935 0 40 IHAB CCN(c1ccc(C(=O)NCc2cccc(CN3CCCCC3)c2)cc1)S(=O)(=O)CC 224694312 PSFXZWKPEJQYOV-UHFFFAOYSA-N 443.613 3.779 0 40 IHAB CCc1nc2ccc(NC(=S)NCc3ccc(S(=O)(=O)N(C)C)cc3)cc2s1 225229085 NUSZDZKZFXRUIZ-UHFFFAOYSA-N 434.612 3.596 0 40 IHAB COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(C)[nH]1 225677472 DHPOJGVGQQBRQC-FGZHOGPDSA-N 435.553 3.728 0 40 IHAB CCc1nccn1-c1cccc([C@H]2CCCN2C(=O)C2CCN(Cc3cccnc3)CC2)n1 257253354 JYNWPZVMYYRNMH-HSZRJFAPSA-N 444.583 3.800 0 40 IHAB CC[C@@H](C(=O)N[C@H](CC)c1ccc(OC)c(C)c1)N(c1cccc(OC)c1)S(C)(=O)=O 260762203 GXLFVAXGAZANIM-RTWAWAEBSA-N 448.585 3.824 0 40 IHAB CCC1(CC)C[C@@H](NC(=O)[C@H](c2ccccc2)N(C)S(C)(=O)=O)c2ccccc2O1 260796498 ZUEWSYFJNRZODX-CTNGQTDRSA-N 430.570 3.818 0 40 IHAB NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 408587506 DDWGDGWKMFWLAR-UHFFFAOYSA-N 442.924 3.790 0 40 IHAB Cc1cccc(N(CCCC(=O)Nc2ccccc2C(=O)NCC(C)C)S(C)(=O)=O)c1 408694171 DLSIMESRSUUCMU-UHFFFAOYSA-N 445.585 3.566 0 40 IHAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C 408701710 DGMOSTDTVMATBJ-QGZVFWFLSA-N 443.569 3.560 0 40 IHAB CCOc1ccccc1NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCC(C)CC2)c1 408706419 PHEARUJNPGAVHB-UHFFFAOYSA-N 432.542 3.767 0 40 IHAB O=C(NCc1cc(Br)ccc1OC(F)F)N1CCOC2(CCOCC2)CC1 546007253 VPPAGAMAHFNLJX-UHFFFAOYSA-N 449.292 3.532 0 40 IHAB O=C(c1ccccc1)N1CCO[C@]2(C1)C(=O)N(Cc1cccs1)C[C@H]2c1ccccc1 585107172 QLSMSZRRLWJAJC-DHLKQENFSA-N 432.545 3.786 0 40 IHAB O=C1CCC[C@]2(CN(C(=O)c3cccc(Nc4ncccn4)c3)C[C@H]2c2ccc(F)cc2)N1 585262132 SMFFBFPFYJKAHB-SQJMNOBHSA-N 445.498 3.638 0 40 IHAB O=C(CCc1ccc(Cl)cc1)N1CCCCc2ccccc2OC[C@@H](O)[C@@H](O)CC1 643576573 SPPCVBXWODQAKP-FCHUYYIVSA-N 431.960 3.628 0 40 IHAB Cc1ccc(Cl)c2sc(N3CCN(c4cncc(-c5cnn(C)c5)n4)CC3)nc12 2298243932 OCTKSKHIMVCKOF-UHFFFAOYSA-N 425.949 3.775 0 40 IHAB Nn1c(SCC(=O)Nc2cccc(Br)c2)nnc1-c1cccc(Cl)c1 2396114 FLTLZJYVYPLCNF-UHFFFAOYSA-N 438.738 3.806 0 40 IHAB Cc1ccc(CNC(=O)CCCCCn2c(=S)[nH]c3cc4c(cc3c2=O)OCO4)o1 2974427 AGYPDFWIZFVCBX-UHFFFAOYSA-N 429.498 3.566 0 40 IHAB Cc1c(Cl)cccc1-n1c(SCC(=O)NC[C@H]2CCCO2)nc2ccccc2c1=O 3323194 VTIAUBLCIYSNFC-OAHLLOKOSA-N 443.956 3.735 0 40 IHAB Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)OCC(=O)N(C(C)C)C(C)C)cc3C2=O)c1 3471803 BBWAYDUKDCRACR-UHFFFAOYSA-N 436.508 3.906 0 40 IHAB Cc1ccc(C)c(C(=O)COC(=O)c2ccccc2N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)c1 8449736 PHEFYHKLCLQMRK-XFDIAKHOSA-N 431.488 3.879 0 40 IHAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)c1C 8772136 SSCOSFUDNWVLKG-CYBMUJFWSA-N 446.887 3.627 0 40 IHAB COc1ccccc1[C@@H]1CN2C(=O)CN(CC(C)C)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 8789114 ZQOBPOOBQSKWPS-SIBVEZHUSA-N 431.536 3.864 0 40 IHAB biogenic Cc1cc(=O)oc2cc(OCc3ccc(C(=O)O[C@@H](C)C(=O)N4CCCC4)cc3)ccc12 8888312 OQKKKPQUOGVBBT-KRWDZBQOSA-N 435.476 3.848 0 40 IHAB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc2c(c1)OCO2)c1cccs1 8920509 PIMDHKYNVCVQPX-SFHVURJKSA-N 433.489 3.938 0 40 IHAB COc1cccc(C(=O)N2N=C(c3cccc(NS(C)(=O)=O)c3)C[C@@H]2c2ccco2)c1 9126937 LVCIYSWQFMRVPI-HXUWFJFHSA-N 439.493 3.651 0 40 IHAB O=C(NCc1ccco1)[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1c1ccc(F)cc1 9238551 XSRCQBPUNGRCBF-RBUKOAKNSA-N 435.484 3.753 0 40 IHAB O=C(Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2)c1ccc(-n2cccn2)cc1 9245076 MFHABXYLOAZMCK-UHFFFAOYSA-N 440.459 3.783 0 40 IHAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1nc(-c2ccc(C)cc2)cs1 9451081 VFNLJTHEUIUEOZ-FQEVSTJZSA-N 441.578 3.834 0 40 IHAB CCN1C[C@H](CN(C)C(=O)c2ccc(Cn3nnc4ccccc43)cc2)Oc2ccccc21 9468520 ICVIHDMKNFCRGZ-NRFANRHFSA-N 441.535 3.839 0 40 IHAB COc1ccccc1C(=O)Nc1cc(C)nn1-c1ncnc2c1cnn2-c1ccc(F)cc1 9661188 FPYIIHPRFUOLRD-UHFFFAOYSA-N 443.442 3.710 0 40 IHAB CC(=O)Nc1ccc(NC(=O)CSc2nnc3ccc(-c4ccc(C)cc4)nn23)cc1 9829099 CDOHMOXMNFRDGH-UHFFFAOYSA-N 432.509 3.789 0 40 IHAB O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CCN(c2ccccc2O)CC1 9847619 WMKZPEFNBFCYRO-UHFFFAOYSA-N 425.492 3.602 0 40 IHAB Cc1sc2ncn(CC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCCO4)c(=O)c2c1C 9884550 NCJHUNPIVIWKPO-QGZVFWFLSA-N 439.537 3.600 0 40 IHAB COc1ccc(S(=O)(=O)CCCC(=O)Nc2nc3c(s2)COc2ccccc2-3)cc1 9913695 HFSRILKBEBDPEQ-UHFFFAOYSA-N 444.534 3.904 0 40 IHAB Cc1c(Cl)cccc1NC(=O)CNC(=O)c1ccccc1SCC(=O)N1CCCC1 10024942 MAPDQYJWFDESCV-UHFFFAOYSA-N 445.972 3.731 0 40 IHAB CCOC(=O)c1c(NC(=O)COC(=O)c2cnc(C)cn2)sc(C)c1-c1ccccc1 11480810 YCOOCJHEZOYCHU-UHFFFAOYSA-N 439.493 3.794 0 40 IHAB CCOC(=O)c1c(NC(=O)c2nn(-c3ccc(Cl)cc3)ccc2=O)sc2c1CCC2 11914114 ASHUACSTJMGKDQ-UHFFFAOYSA-N 443.912 3.865 0 40 IHAB O=C(CN1CCN(c2ccccn2)CC1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 12375949 WVEKIBXWYPCCJL-UHFFFAOYSA-N 434.927 3.727 0 40 IHAB CCC[C@@]1(C(=O)OCC)N[C@@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 12497348 ASKYGVKMRJNGRU-IMIIHFCZSA-N 434.536 3.856 0 40 IHAB CCOc1ccc([C@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)N2CCOCC2)cc1OC 12734731 WEOLHKQJCLYZOD-GAPPKZSKSA-N 442.600 3.800 0 40 IHAB CCCCOc1ccc(C(=O)NCC(=O)NC[C@H](c2ccco2)N2CCCCC2)cc1 12875945 FVWMYIFEQVVRDQ-OAQYLSRUSA-N 427.545 3.532 0 40 IHAB C[C@H](NCC(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1)c1ccc(S(N)(=O)=O)cc1 13113107 MRBNTRMQHFRSKC-ROUUACIJSA-N 437.565 3.529 0 40 IHAB CCCCN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC1CCCC1)c1cccs1 13497106 QPWQMMZSPHOBBD-JOCHJYFZSA-N 439.585 3.922 0 40 IHAB CSc1ccc([C@@H]2N=C3NCN(Cc4cccnc4)CN3c3nc4ccccc4n32)cc1 13638224 RHSYLVBXXPEAFA-JOCHJYFZSA-N 441.564 3.897 0 40 IHAB CCOC(=O)CN(C(=O)COc1cc2oc(=O)cc(C)c2cc1Cl)c1ccccc1 14058460 ZSGGLFFTLYEDGS-UHFFFAOYSA-N 429.856 3.730 0 40 IHAB COc1cc(OC)c(C2=CCN(C(=O)[C@@H]3Oc4ccccc4O[C@@H]3C)CC2)c(OC)c1 14349998 MZAPHFJOJWIQMG-IQMFZBJNSA-N 425.481 3.557 0 40 IHAB Cc1cccc(N(CC(=O)Nc2ccc3c(c2)OCCO3)S(=O)(=O)c2ccccc2)c1 15398170 CMPNTVOQKDXPNN-UHFFFAOYSA-N 438.505 3.600 0 40 IHAB CCN1c2ccccc2-c2nc(SCC(=O)Nc3ccccc3C)ncc2S1(=O)=O 15731751 XSTXIHGWYJGFOX-UHFFFAOYSA-N 440.550 3.711 0 40 IHAB COc1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1S(=O)(=O)N(C)C 16163224 BICJIZWGSJWFRF-UHFFFAOYSA-N 436.839 3.870 0 40 IHAB COc1ccccc1N1CCN(C[C@@H](O)COc2ccc(C3CCCCC3)cc2N)CC1 16248067 KHHIVPICUHVJBC-JOCHJYFZSA-N 439.600 3.887 0 40 IHAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1sc(-c2cccs2)nc1C 17345214 DFVILDPPIKUMPO-UHFFFAOYSA-N 437.568 3.691 0 40 IHAB C[C@H](Oc1ccccc1F)C(=O)N1CCC[C@H](c2nc3ccc(F)cc3cc2C(N)=O)C1 19078336 LLKZMRKCEMMCNZ-GJZGRUSLSA-N 439.462 3.785 0 40 IHAB COc1ccc(CN2CCN(C)C(=O)[C@H](Cc3ccccc3-c3cccnc3)C2)cc1OC 19589634 FOPDYUBTCBCPFA-HSZRJFAPSA-N 445.563 3.899 0 40 IHAB COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2CN(Cc3cnc(C)s3)CCO2)cc1 19693036 FPLYEVWAUBYHCT-FQEVSTJZSA-N 425.558 3.557 0 40 IHAB Cc1nc([C@@H]2CCCN(CC(=O)Nc3ccccc3F)C2)nc2c1CCCN2CC1CC1 19706977 ZJSPZFADRXDCFZ-LJQANCHMSA-N 437.563 3.905 0 40 IHAB Cc1nc([C@@H]2CCN(C(=O)Cc3c(C)noc3C)C2)nc2c1CCCN2Cc1ccccc1 19707557 MLUDMVVBZWEGQV-OAQYLSRUSA-N 445.567 3.901 0 40 IHAB CCCN1C(=O)CCc2c(C)nc(C3CCN(C(=O)c4ccc5c(c4)C[C@@H](C)O5)CC3)nc21 19739477 KAUYPGGAHGYFJO-MRXNPFEDSA-N 448.567 3.817 0 40 IHAB CCn1nc(C)c(CN2CCC[C@H](c3ncc(C(=O)NCc4ccccc4)c(C)n3)C2)c1C 19765402 PMNZKYMWZRLPPR-QFIPXVFZSA-N 446.599 3.928 0 40 IHAB COc1cc2ncn(CC(=O)Nc3ccc(Oc4ccccc4)cc3)c(=O)c2cc1OC 20730077 RWXZCGZTHGYOKC-UHFFFAOYSA-N 431.448 3.845 0 40 IHAB Cc1nc(COc2ccccc2C(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)no1 21380947 VIBGPTMLFGKVGX-UHFFFAOYSA-N 449.294 3.975 0 40 IHAB Cn1ccnc1[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1)c1ccc(Cl)cc1 21601016 HDHSCMKRZHAYEY-YWZLYKJASA-N 443.334 3.986 0 40 IHAB COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)Nc1ccc(OCc2ccccc2)cc1 22251565 NGVKSVFNGACNLW-UHFFFAOYSA-N 440.521 3.922 0 40 IHAB COc1ccc([C@H](C)NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2cccs2)cc1 22397376 ORAKBGQTQJHYPT-HNNXBMFYSA-N 448.541 3.969 0 40 IHAB COc1ccc(OCc2nnc(Sc3cc(C)nc4ncnn34)n2-c2ccccc2)cc1 24990226 HHLXWAJCXZJBDJ-UHFFFAOYSA-N 445.508 3.752 0 40 IHAB COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(Cl)cc3)nc2O)c(OC)c1 27643189 IBWFXGBJJXQJLA-UHFFFAOYSA-N 446.916 3.569 0 40 IHAB COC[C@@H](C)n1c(C)cc(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3Cl)C2=O)c1C 32859548 RCQQBJFIHTXGEI-PEBXRYMYSA-N 431.920 3.616 0 40 IHAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N(C)Cc2nc3ccccc3n2C(F)F)c1 32903353 WUXQOCZSYYIZFQ-UHFFFAOYSA-N 429.427 3.620 0 40 IHAB COc1ccc(C(=O)Nc2ccccc2OCc2cc(=O)n3ccccc3n2)cc1OC 33067751 CQJKYGSFONPXAP-UHFFFAOYSA-N 431.448 3.543 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(C)nc2ccccc12 33527835 CYSHRFMAIRYGAS-UHFFFAOYSA-N 439.537 3.979 0 40 IHAB Cc1nn(Cc2ccc(Br)cc2)c(C)c1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 36007362 KPXZNHZJKZYRBU-ATLSCFEFSA-N 444.329 3.772 0 40 IHAB CCc1nc(-c2ccc(-n3ccc(C(=O)N4CCN(c5ccccc5C)CC4)n3)cc2)no1 49408750 UIARDPNICCDGDL-UHFFFAOYSA-N 442.523 3.756 0 40 IHAB CCOC(=O)c1cccc(N(CC)CC(=O)Nc2cccc(C(=O)N(CC)CC)c2)c1 58006334 FVSAEAWJCMGUST-UHFFFAOYSA-N 425.529 3.810 0 40 IHAB Cc1ccc(C)c(N2CCN(C[C@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@H](O)[C@H]34)CC2)c1 61997573 LSGWJALQGUMIRM-QMZMJUJGSA-N 438.612 3.710 0 40 IHAB CCOCCCn1c(SCC(=O)N[C@@H]2CCc3ccccc32)nc2ccccc2c1=O 67290982 QPTRDNANVFSYED-OAQYLSRUSA-N 437.565 3.719 0 40 IHAB CC(=O)c1cccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(Cl)c(Cl)c3)c2C)c1 67323000 VTVRJUQLAHJQOR-UHFFFAOYSA-N 446.294 3.987 0 40 IHAB COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCc2ccccc2OC)C12CCCC2 70666372 GUPNURLRRCQHIF-HSZRJFAPSA-N 436.552 3.553 0 40 IHAB biogenic CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](c3nc(N)ncc3-c3cccc(F)c3)C2)cc1 72346161 DDBNAASVLDZJJD-GOSISDBHSA-N 433.487 3.843 0 40 IHAB Cc1nc2c(c(N(Cc3ccccn3)C[C@H]3CCCO3)n1)CN(Cc1ccccc1)CC2 72347596 ZYTGSWRMWDKUDF-HSZRJFAPSA-N 429.568 3.924 0 40 IHAB CNc1nc([C@@H]2CCCCN2Cc2ccc3ncccc3c2)nc2c1CCN(C(C)=O)C2 72376568 HUDLLGRGQLKGGZ-QHCPKHFHSA-N 430.556 3.698 0 40 IHAB Cc1cc(-c2snnc2[C@@H]2CCCN(C(=O)[C@H](C)Cn3nc(C)c(C)c3C)C2)on1 72396738 SVAHWZMCUUHCSI-SJKOYZFVSA-N 428.562 3.666 0 40 IHAB COc1ccc(-c2coc3c4c(cc(OC)c3c2=O)OC(=O)C[C@H]4c2cnn(C)c2C)cc1 85877106 BSKRFMDYMZPUTN-INIZCTEOSA-N 446.459 3.960 0 40 IHAB biogenic O=S(=O)(NCc1cc(-c2ccccc2)no1)c1cc(Br)cnc1Cl 89851139 FUUPPWFQOAMKQX-UHFFFAOYSA-N 428.695 3.631 0 40 IHAB COc1ccc(-n2cnc3cc(C(=O)Nc4ccc(OC)cc4OC)ccc3c2=O)cc1 94993032 WFOCLULIHGEGKD-UHFFFAOYSA-N 431.448 3.664 0 40 IHAB COc1cccc(C(=O)N(CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)c2ccccc2C)c1 100394866 YHRFHSKJRRFPRY-DRRJAYDASA-N 442.515 3.661 0 40 IHAB COc1ccc(OC)c(-c2cc(C(=O)N3CC(Oc4nc5ccccc5s4)C3)[nH]n2)c1 206657387 DTRDKPGZYUQNNM-UHFFFAOYSA-N 436.493 3.607 0 40 IHAB CN(C)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(Br)cs1 223211820 WELISPTVCSGYQY-CVEARBPZSA-N 425.421 3.830 0 40 IHAB COc1ccc(C)cc1N(CC(=O)NCC1=CCCCC1)S(=O)(=O)c1ccccc1 223508178 BLZYSBCAURSPGY-UHFFFAOYSA-N 428.554 3.816 0 40 IHAB Cc1cccc(N(CC(=O)NCCOc2ccccc2C(C)(C)C)S(C)(=O)=O)c1C 223680778 DPOOMVWACSXQIJ-UHFFFAOYSA-N 432.586 3.562 0 40 IHAB COc1ccc(CCNC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3F)c2)cc1 224154138 QDKMLTPGRKYEEW-UHFFFAOYSA-N 442.512 3.632 0 40 IHAB O=C(NCC1CCCCC1)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 224236035 JDWHZORQAYKACM-NRFANRHFSA-N 448.972 3.993 0 40 IHAB COCc1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2)c1 224363212 YFMRKYDKAQLSCC-UHFFFAOYSA-N 436.961 3.667 0 40 IHAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)Nc3ccccc3OC(C)C)s2)cc1 224413440 AXBRZLZDOTZGBW-UHFFFAOYSA-N 432.527 3.687 0 40 IHAB CCn1c(=O)sc2cc(S(=O)(=O)NCc3ccccc3CN3CCCCC3)ccc21 224854331 STYBPJJYOKHXRV-UHFFFAOYSA-N 445.610 3.547 0 40 IHAB CC[C@H](C(=O)Nc1nnc(-c2ccc(C)cc2)s1)N(c1ccc(F)cc1)S(C)(=O)=O 225116305 HFNNBMQSJBOKJC-QGZVFWFLSA-N 448.545 3.836 0 40 IHAB Cc1ccc(CNC(=S)Nc2nc(N3CCCC3)cc(N3C[C@H](C)C[C@@H](C)C3)n2)o1 225914515 TWDKVKJUHCRTBF-HZPDHXFCSA-N 428.606 3.947 0 40 IHAB C[C@H]1CC[C@@H]2N(C1)C[C@@H]1[C@@H]3C[C@@H]4[C@H](CC(=O)[C@H]5C[C@@H](O)CC[C@@]54C)[C@H]3CC[C@H]1[C@]2(C)O 247643284 IQDIERHFZVCNRZ-UWHAUWRVSA-N 429.645 3.886 0 40 IHAB Cc1ncc(-c2ccccn2)c([C@H]2CC[C@H](CNC(=O)CN3CCCCCC3=O)CC2)n1 257317037 VICDNIQDCKZZEB-MXVIHJGJSA-N 435.572 3.640 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H]3CC(C)(C)Oc4ccccc43)C2)cc1 260890385 CXNSAZOBSKLBPT-RXVVDRJESA-N 442.581 3.814 0 40 IHAB COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3c(F)cccc3F)cc2)c1 408606300 OQMXDYRIMFXBBZ-UHFFFAOYSA-N 448.447 3.792 0 40 IHAB CCc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)c2)cc1 408669560 WMIYSTIMOIFGDF-OYRHEFFESA-N 434.492 3.724 0 40 IHAB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2cc(Br)c(O)c(OC)c2)C1=O 409216705 KHOVBEVFAYSGHN-MRACZJACSA-N 444.303 3.541 0 40 IHAB O=C(CNC(=O)N1CCc2ccccc2C1)Nc1ccc(-n2cnc3ccccc32)cc1 599301632 WIGSKKVOJAJOLD-UHFFFAOYSA-N 425.492 3.732 0 40 IHAB Cc1cc(-c2nc(-c3cccc(Cn4cnc5ccccc54)c3)no2)ccc1S(N)(=O)=O 682671713 INRGQOYOPKTDRJ-UHFFFAOYSA-N 445.504 3.757 0 40 IHAB COc1ccc(CCN2C(=O)CC[C@@]2(C)C(=O)Nc2ccc3c(ccn3C)c2)cc1OC 1413549 WDZPRVQDJJRRDI-VWLOTQADSA-N 435.524 3.758 0 40 IHAB O=C(/C=C/c1ccc(S(=O)(=O)NCc2ccco2)cc1)NCc1ccccc1Cl 2626061 JMEMOYPHHZVXAR-FMIVXFBMSA-N 430.913 3.741 0 40 IHAB CCOc1ccccc1NC(=O)c1cc(S(=O)(=O)NCCc2ccccc2)ccc1F 3024883 FYXASZCTROQKHL-UHFFFAOYSA-N 442.512 3.998 0 40 IHAB C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)OCO3)c1 3217047 XBFHKAIXPRZLNC-OAHLLOKOSA-N 436.489 3.808 0 40 IHAB CC1=C(C(=O)O[C@@H]2CCC[C@H]2C)[C@@H](c2cc3c(cc2Br)OCO3)NC(=O)N1 4066618 PXOBGQLVURFQNO-HXEOFFAUSA-N 437.290 3.538 0 40 IHAB COc1cc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2ccncc2)ccc1O 8606654 YPOTWRSQTYJADU-QHCPKHFHSA-N 428.448 3.637 0 40 IHAB CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)cc1 8816444 MKVOGCWFGHDEPW-SFHVURJKSA-N 449.617 3.617 0 40 IHAB Cc1ccc(OCC(=O)Nc2cccc(Cl)c2N2CCN(C(=O)C(C)C)CC2)cc1 8904460 ABVOFPHUOCNFKM-UHFFFAOYSA-N 429.948 3.971 0 40 IHAB CCCNS(=O)(=O)c1cc(C(=O)Nc2ccc(Br)cc2F)ccc1OC 9063887 AHGJOGZSVWZEGU-UHFFFAOYSA-N 445.310 3.537 0 40 IHAB O=C(CSc1nnc2ccc(-c3ccccn3)nn12)Nc1cccc(C(F)(F)F)c1 9241398 FHOVVPIRTRQVLM-UHFFFAOYSA-N 430.415 3.936 0 40 IHAB COc1ccc(-c2nc(NC(=O)CCCN3C(=O)NC4(CCCC4)C3=O)sc2C)cc1 9256855 CMAJOQYZBNREFJ-UHFFFAOYSA-N 442.541 3.710 0 40 IHAB Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(Br)cc2)C[S@](=O)C3)cc1 9413538 BURJBZHPOFEBDT-AREMUKBSSA-N 430.327 3.958 0 40 IHAB O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)Nc1ccc(Oc2ccccc2)cc1 9548802 VMBVELCWSZZTFW-UHFFFAOYSA-N 429.476 3.974 0 40 IHAB O=C(Nc1nc2c(s1)CCCC2)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12 9588669 SFENXMCBZCVWAY-UHFFFAOYSA-N 430.555 3.755 0 40 IHAB CC(C)(C)C(=O)Nc1ccc(C(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)cc1 9646645 CXKZLRZZVMSKMT-RUZDIDTESA-N 433.508 3.638 0 40 IHAB Cn1ccnc1SCCNC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1 9910314 YDXIFDKDILVENI-UHFFFAOYSA-N 428.583 3.507 0 40 IHAB CCOC(=O)c1sc(NC(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1C 10053901 FUMIKGGPOGFYEF-MRXNPFEDSA-N 430.526 3.780 0 40 IHAB Cc1cc(C)c2c(C)c(C(=O)N3CCN(S(=O)(=O)Cc4ccccc4)CC3)sc2n1 10086104 XUYZRPSWCXYRIY-UHFFFAOYSA-N 443.594 3.509 0 40 IHAB Cc1ccc2nc(NC(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)sc2c1 10337382 ZMNRMAGWSNKYBA-UHFFFAOYSA-N 433.530 3.783 0 40 IHAB Cc1ccc(-n2nnc3c(N4CCN(C(=O)c5cccc6ccccc56)CC4)ncnc32)cc1 11665811 NVUJKZZMTNKUJX-UHFFFAOYSA-N 449.518 3.635 0 40 IHAB CCn1c(=O)oc2cc(S(=O)(=O)N3CCCCC[C@@H]3c3cc(C)on3)c(Cl)cc21 12187838 NALZTWSIKIHGSP-OAHLLOKOSA-N 439.921 3.870 0 40 IHAB Cc1cc([C@@H]2NC(N)=Nc3nc4cc5c(cc4n32)OCCCO5)cc(C)c1OC(F)F 12506457 JSPJIRVPEUEUDA-GOSISDBHSA-N 429.427 3.512 0 40 IHAB COc1ccc(/N=c2\oc3c(OC)cccc3cc2C(=O)NC[C@@H]2CCCO2)cc1OC 12706081 GTLUAZQYIHWNKU-ZRZCPFIBSA-N 438.480 3.600 0 40 IHAB CN(C)[C@H](CNC(=O)c1ccccc1I)c1ccccc1Cl 12748261 IULJHMWDNQDULO-MRXNPFEDSA-N 428.701 3.977 0 40 IHAB Cc1ccc(-c2noc(CN3CCN(C(=O)[C@H](C)Oc4ccc(Cl)cc4)CC3)n2)cc1 12760948 RTLXXOQFCNSEFX-KRWDZBQOSA-N 440.931 3.810 0 40 IHAB Cc1cc(F)ccc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 12776066 YNXFCNUJTRINAF-MRXNPFEDSA-N 442.516 3.677 0 40 IHAB CCOc1ccc(OS(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)cc1 12880539 OKRYKHDMGDGGIY-UHFFFAOYSA-N 441.292 3.706 0 40 IHAB CCC(CC)C(=O)N1CCC(c2nc(O)c3nnn(Cc4cc(C)ccc4C)c3n2)CC1 13083116 FIHLPPMVEGQYEE-UHFFFAOYSA-N 436.560 3.734 0 40 IHAB Fc1ccccc1[C@H](c1nnnn1CCc1ccccc1)N1CCN(c2ccccc2)CC1 13505525 VYWJFHPLDCJLBQ-RUZDIDTESA-N 442.542 3.967 0 40 IHAB CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)cc1 13669491 BICMLYGONLQZOB-UHFFFAOYSA-N 428.485 3.842 0 40 IHAB COc1ccc(N([C@H](C)C(=O)NCCCc2ccc(C)cc2)S(C)(=O)=O)cc1Cl 13673952 ZKDPCMGISSULOL-MRXNPFEDSA-N 438.977 3.561 0 40 IHAB O=C(Cc1csc(NS(=O)(=O)c2ccc(F)cc2)n1)Nc1cccc2ncccc12 13723111 KKHBNNUZNMAZQB-UHFFFAOYSA-N 442.497 3.812 0 40 IHAB CC(C)Oc1ccc(NC(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2Cl)cc1 15858436 JLCOAOKDNWDLDI-CYBMUJFWSA-N 436.917 3.692 0 40 IHAB CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H](CC(C)C)N[C@@]23C(=O)Nc2ccc(C)cc23)cc1 16026657 VORDSJCBYIFJSS-BNIKKZEQSA-N 449.551 3.982 0 40 IHAB biogenic O=S(=O)(Nc1cccc(I)c1)c1ccccc1Br 16130827 HROCOKPOFFDHBB-UHFFFAOYSA-N 438.084 3.855 0 40 IHAB CCOc1ccc(CN(C(=O)/C=C/c2ccc(Cl)cc2)[C@H]2CCS(=O)(=O)C2)cc1 16741763 XIRFAGARJHTYOJ-BESKYLIDSA-N 433.957 3.968 0 40 IHAB Cc1cccc(OCCNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)c1 18147388 FJNYCCHJBXPVKQ-UHFFFAOYSA-N 436.961 3.632 0 40 IHAB CCOC(=O)c1c(NC(=O)c2nc3n(n2)[C@H](C(F)F)C[C@H](C)N3)sc2c1CCCC2 18209862 KRKDZBUUHMMWIJ-ONGXEEELSA-N 439.488 3.658 0 40 IHAB CC(=O)Nc1ccc(CN2CCC(c3cc(N(C)C)nc(-c4ccncc4)n3)CC2)cc1 19022443 ZGFHYYGLBCBQAK-UHFFFAOYSA-N 430.556 3.943 0 40 IHAB Cc1ccsc1CN1CCc2nc([C@@H]3CCCN3C(=O)Cc3ccccc3)[nH]c(=O)c2C1 19238681 IUXUWAAEYVJJAH-NRFANRHFSA-N 448.592 3.604 0 40 IHAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCN(C(=O)CCc4ccno4)C3)cc2N1 19451342 OQFIZGMRGQDPDA-JLJPHGGASA-N 425.455 3.763 0 40 IHAB CCN1CCN(C(=O)c2cccc(OC)c2)C[C@H](Cc2cccc(-c3cccnc3)c2)C1=O 19527557 KHDVUDSCQFXPPI-DEOSSOPVSA-N 443.547 3.920 0 40 IHAB O=S(=O)(c1ccccc1)N1CCO[C@@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 19693213 CFAXGXXYELLVHE-GOSISDBHSA-N 449.454 3.925 0 40 IHAB CNC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)c2ccccc2OC)CC1 19700488 VCGDJHJWWWOIPL-UHFFFAOYSA-N 443.547 3.968 0 40 IHAB CCOc1ccc(CCC(=O)N2CCC[C@@H]2c2ncc(C(=O)N3CCCC3)c(C)n2)cc1 19755939 SPEFGJLDWQBEKG-JOCHJYFZSA-N 436.556 3.716 0 40 IHAB CS(=O)(=O)N1C[C@@H](C(=O)Nc2cc(Cl)ccc2Cl)Oc2ccc(Cl)cc21 20107385 JZDSAPFXCHWRMW-HNNXBMFYSA-N 435.716 3.813 0 40 IHAB COc1ccc([C@H](CC(C)C)NC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 20110136 ZNHZGROJXWICMQ-FQEVSTJZSA-N 440.512 3.643 0 40 IHAB CCCc1c(COC)nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)[nH]c1=O 22448501 YZHCXLSJIDWIDX-UHFFFAOYSA-N 432.568 3.780 0 40 IHAB CCOC(=O)C1CCN([C@H](c2ccc(C)cc2)c2sc3nc(CC)nn3c2O)CC1 22853505 VDRRKCSWJUAPAW-GOSISDBHSA-N 428.558 3.732 0 40 IHAB COc1ccc(-c2ccc(N3CCC(C(=O)N4CCc5ccccc5C4)CC3)nn2)cc1 23143137 MBHCUHDOAJBZFH-UHFFFAOYSA-N 428.536 3.954 0 40 IHAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 24663033 QIPFMQKXARLQPZ-QGZVFWFLSA-N 432.505 3.908 0 40 IHAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 25466295 XRBPZTFUJIEHBI-XMMPIXPASA-N 432.545 3.973 0 40 IHAB CC(C)(C)c1cc(NC(=O)CCc2c[nH]c3ccccc23)n([C@@H]2CCS(=O)(=O)C2)n1 26130620 NXLPNVMVXSDDCL-MRXNPFEDSA-N 428.558 3.593 0 40 IHAB COc1ccc(/C=C/c2nc3s/c(=C\c4cccc(Br)c4)c(=O)n3n2)cc1 27022188 QKZTUEHQYNUDCR-VXGMZCCXSA-N 440.322 3.640 0 40 IHAB CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)cc(Br)c2OC)cc1 27828932 QLBFPGBGDFDHLF-UHFFFAOYSA-N 447.738 3.662 0 40 IHAB Cc1cccc(-n2ncc(C(=O)N3CCN(CC(=O)Nc4cccc(C)c4C)CC3)c2C)c1 29542403 GBKCYLHTMQIQIY-UHFFFAOYSA-N 445.567 3.502 0 40 IHAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 32753084 UVHWQBMOWTUTJG-FXAWDEMLSA-N 442.512 3.649 0 40 IHAB Cc1cc(N2CCN(C(=O)c3cc(C4CC4)nc4c3c(C)nn4C)CC2)nc2ccccc12 36616059 ZCOHZTWDWWTCBL-UHFFFAOYSA-N 440.551 3.973 0 40 IHAB COc1ccccc1NC(=O)C1CCN(C(=O)Nc2cnc3c(cnn3C(C)C)c2)CC1 40120838 GEOXZGQKELBOMK-UHFFFAOYSA-N 436.516 3.903 0 40 IHAB O=C(CN1CCN(C(=O)Oc2ccccc2)CC1)N[C@@H](Cc1ccccc1)c1ccccc1 48310733 XBRYKDLPUBIEQQ-VWLOTQADSA-N 443.547 3.903 0 40 IHAB O=C(Cn1cccc(-c2nc(-c3ccc(F)cc3)no2)c1=O)Nc1ccc(F)cc1F 49002461 PNWNPOMTNFKYDV-UHFFFAOYSA-N 426.354 3.621 0 40 IHAB Cc1nc2c(c(=O)n1CC(=O)NCc1ccc(C(C)C)cc1)CN(Cc1ccccc1)CC2 49400871 GFDSYHWRFOPKLT-UHFFFAOYSA-N 444.579 3.550 0 40 IHAB Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc(F)cc3F)c2=O)c1C 67218401 CSOIOMIHZWEZRY-UHFFFAOYSA-N 441.459 3.748 0 40 IHAB CC(C)Cn1c(SCC(=O)Nc2nccs2)nnc1[C@H](C)NC(=O)c1ccccc1 72191893 IFPNGOUZCAYVMX-AWEZNQCLSA-N 444.586 3.612 0 40 IHAB CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 72203288 FKLWZVWOFYZBMR-LLVKDONJSA-N 439.397 3.531 0 40 IHAB CCN1CCN(C(=O)Cc2cccnc2)[C@H](Cc2ccccc2-c2ccc(F)cc2)C1=O 72351637 FPHAJMMEHGADQD-XMMPIXPASA-N 431.511 3.732 0 40 IHAB CCc1nnc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C[C@@H]3CCCO3)C23CCCC3)s1 72401797 VZXMDPAPBBYZHL-KXBFYZLASA-N 440.569 3.770 0 40 IHAB O=C(NCc1cc(-c2ccccc2)on1)[C@H]1CCN(c2cccc(Br)c2)C1=O 89851119 ZRKLIOGQWDLEFC-GOSISDBHSA-N 440.297 3.773 0 40 IHAB CCOc1ccc(S(=O)(=O)NCc2ccc([C@H](O)c3cccs3)s2)cc1F 90750053 JRBIFTRGNOUTQI-GOSISDBHSA-N 427.544 3.908 0 40 IHAB O=C(Nc1ccccc1S(=O)(=O)C(F)F)c1cc(Br)cnc1Cl 95956304 WGCKLHWTFXOGAU-UHFFFAOYSA-N 425.638 3.746 0 40 IHAB CCOC(=O)[C@@H](C(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1)c1nc(C)cs1 103124258 INOKKCJHZGPOHE-KRWDZBQOSA-N 442.566 3.918 0 40 IHAB C[C@H](NS(=O)(=O)c1ccc(NC(=O)COc2ccccc2)cc1)[C@H]1C[C@H]2CC[C@H]1C2 104748323 ODVYQKCWCRCCHD-VDNWNZSNSA-N 428.554 3.807 0 40 IHAB COc1ccc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc(SC)cc3)CC2)cc1 113956119 JPGIIDXIQHSUOH-MRXNPFEDSA-N 448.610 3.695 0 40 IHAB CCCCNc1cc(C(=O)Nc2ccncc2)cc(S(N)(=O)=O)c1Oc1ccccc1 142163451 RCIZFBNMFJHPFE-UHFFFAOYSA-N 440.525 3.986 0 40 IHAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCCN(c1ccccc1)S(C)(=O)=O 219175093 ZSXLJAYSINHYHE-HXUWFJFHSA-N 446.569 3.660 0 40 IHAB CC[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N(c1cccc(OC)c1)S(C)(=O)=O 220617611 CCZJRQFSVRVDDC-KRWDZBQOSA-N 430.448 3.897 0 40 IHAB COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cn1 223068166 SXZAWYWGGDFLEP-UXHICEINSA-N 427.961 3.930 0 40 IHAB CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccc(F)cc1 223080439 VNCDRSJPEKWNOD-AWEZNQCLSA-N 437.309 3.520 0 40 IHAB C[C@@H]1Cc2cc(S(=O)(=O)N3CCCCC3)ccc2N1C(=O)COc1ccccc1Cl 223086626 QLDPMEMKSCGCSI-MRXNPFEDSA-N 448.972 3.871 0 40 IHAB CC[C@@H](NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1)c1ccc(C)cc1C 223246620 GDJLWVIQXDKJCO-QGZVFWFLSA-N 430.555 3.837 0 40 IHAB COc1cccc(OC)c1CNC(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1 224077864 OAEGEFQSKKXREC-UHFFFAOYSA-N 440.521 3.743 0 40 IHAB Cc1ccc(C(=O)Nc2nnc(SCc3ccccc3)s2)cc1N(C)S(C)(=O)=O 224237764 PRSLALTVGXFCIL-UHFFFAOYSA-N 448.595 3.787 0 40 IHAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)Nc3cccc(OC)c3)cc2)cc1 224437636 FQZQQVVPVWMNTB-UHFFFAOYSA-N 440.521 3.777 0 40 IHAB Cn1nc2cc(Br)ccc2c1C(=O)N[C@@H](c1cccnc1)C1CCOCC1 225620068 IIPBKBFJLPLLBI-GOSISDBHSA-N 429.318 3.629 0 40 IHAB CCc1ccc([C@@H](C)NS(=O)(=O)c2nnc(NC(=O)c3ccc(C)cc3)s2)cc1 225771732 HQOPSJVRVIDPGL-CQSZACIVSA-N 430.555 3.701 0 40 IHAB Cc1ncc(CO)c(CNC(=O)c2ccc3c(c2O)[C@@H]2C[C@H](C)CC[C@H]2C(C)(C)O3)c1O 257229374 FXWCWKZZCRTBEH-OMWUSAIZSA-N 440.540 3.914 0 40 IHAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)NCCc2ccccc2)CC1 408701265 VCUSIZVHPMQGSJ-UHFFFAOYSA-N 444.597 3.578 0 40 IHAB Cc1ccc(-c2noc(CCC(=O)Nc3ccc(N4C[C@H](C)O[C@H](C)C4)nc3)n2)cc1F 526031345 WJDNSDYMHJHQRW-IYBDPMFKSA-N 439.491 3.764 0 40 IHAB O=C(Cc1cccc(C(F)(F)F)c1)N1CCC[C@H](Oc2ncc(Br)cn2)C1 575611670 FQPVDYYOIVTGEC-HNNXBMFYSA-N 444.251 3.870 0 40 IHAB C[C@@H]1COc2ccccc2CCCCC2(CCN(C(=O)c3cscn3)CC2)C(=O)N1 643571351 IDBDDARWIZJRGR-QGZVFWFLSA-N 427.570 3.676 0 40 IHAB CC(C)C[C@@H]1NC(=O)C2(CCCCCOC[C@@H]3CCCN3C1=O)CCN(CC(C)C)CC2 643578658 DVBSUULDXCXTPF-GOTSBHOMSA-N 449.680 3.837 0 40 IHAB CN(C)CCCOc1cnccc1CNC(=O)c1csc(Nc2cc(F)cc(F)c2)n1 1141662192 XWUMXVWLRREFJP-UHFFFAOYSA-N 447.511 3.820 0 40 IHAB COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CCc4ccccc43)cc2c1 892886 GPOHUDXLCIFUBV-HSZRJFAPSA-N 442.523 3.790 0 40 IHAB O=c1/c(=C\C2=Cc3ccccc3OC2)sc2nc(-c3ccccc3Br)nn12 2387074 HLZBKQBRKLAYRD-LICLKQGHSA-N 438.306 3.556 0 40 IHAB O=C(O)c1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccs2)cc1 2407652 HNIJEIYVYMNROW-UHFFFAOYSA-N 426.479 3.934 0 40 IHAB O=C1c2cccc(OCC(=O)N3CCc4ccccc43)c2CCN1Cc1ccccc1F 2716496 YIHDPTRWUSGPCA-UHFFFAOYSA-N 430.479 3.992 0 40 IHAB O=C(Cc1ccccc1)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1cccs1 3654269 DRVXIJPJHHTJGM-UHFFFAOYSA-N 431.516 3.881 0 40 IHAB COC(=O)[C@H](CCSC)NC(=O)Nc1ccc(-c2cc3ccccc3oc2=O)cc1 8791116 VPCQQVRJUAYGSX-SFHVURJKSA-N 426.494 3.876 0 40 IHAB biogenic Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NC(=O)C(=O)NCc1cccnc1 8992046 XEKLFWVQOBDNKG-UHFFFAOYSA-N 432.311 3.505 0 40 IHAB O=C(CSc1ccc(S(=O)(=O)N2CCCC2)cn1)Nc1cccc2ccccc12 9056478 PDWNTACGJNAHPU-UHFFFAOYSA-N 427.551 3.750 0 40 IHAB CCOC(=O)c1c(NC(=O)Cn2ccnc2)sc(C(=O)Nc2ccc(C)cc2C)c1C 9219614 FHNLRESXCNLCCG-UHFFFAOYSA-N 440.525 3.938 0 40 IHAB COc1ccc(CNC(=O)[C@H]2CC(=O)N(CCc3c[nH]c4ccc(Cl)cc34)C2)cc1 9224872 LVAHQBAGRGVNNX-KRWDZBQOSA-N 425.916 3.537 0 40 IHAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 9226791 HZCONNSZCWIHGS-GOSISDBHSA-N 436.295 3.510 0 40 IHAB Cc1ccc(NC(=O)c2ccc3c(O)c(S(=O)(=O)c4ccccc4)c(=O)[nH]c3c2)cc1C 9429684 AMPIYGQXSMOSSH-UHFFFAOYSA-N 448.500 3.936 0 40 IHAB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)O[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C 9466417 YAOXMLAHRDMURR-ZSDSOXJFSA-N 444.478 3.629 0 40 IHAB Cc1ccc(Cl)cc1N1C[C@H](C)Cn2c1nc1c2c(=O)n(Cc2ccccc2)c(=O)n1C 9519261 AFHIJALPCNVPTD-HNNXBMFYSA-N 449.942 3.695 0 40 IHAB COc1cc(OC)cc(C(=O)Nc2nc(CC(=O)NCCCc3ccccc3)cs2)c1 9659219 MERZJRJMQSOMLI-UHFFFAOYSA-N 439.537 3.704 0 40 IHAB O=C(C[C@@H]1OC(=O)c2ccccc21)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 9711998 QIXJXTVDCWOQMP-FQEVSTJZSA-N 440.452 3.867 0 40 IHAB CC[C@@H]1CCc2sc(C(=O)N3CCC(NS(=O)(=O)c4cccs4)CC3)cc2C1 9853605 SMDRQVNNXLHGLG-CQSZACIVSA-N 438.640 3.908 0 40 IHAB O=C(COc1ccccc1C(=O)NCc1ccccc1)Nc1ccc2c(c1)OCCCO2 10225356 LTODULSKCVHJLG-UHFFFAOYSA-N 432.476 3.795 0 40 IHAB Cc1ccc(N2C(=O)N(CC(=O)N3CCC[C@@H](C)C3)c3ccccc3S2(=O)=O)cc1C 10273708 NKQCNRGIQDZWBN-MRXNPFEDSA-N 441.553 3.697 0 40 IHAB CCOc1cc2c(cc1NC(=O)COc1ccc(Br)cc1CO)O[C@H](C)C2 10900590 KONUEMGKZMQRQS-GFCCVEGCSA-N 436.302 3.681 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(C(=O)NC3CC(C)(C)NC(C)(C)C3)cc2)cc1 11422682 IKZJVAFGUUCZJI-UHFFFAOYSA-N 445.585 3.535 0 40 IHAB CC(C)[C@@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)c1cc2ccccc2oc1=O 12182958 AFZPWEIPHIHHSL-GOSISDBHSA-N 435.505 3.533 0 40 IHAB O=C(c1cncc(Br)c1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 12393167 DSDOJOQGRPPVHS-UHFFFAOYSA-N 428.252 3.821 0 40 IHAB CCOC(=O)[C@H](C(C)=O)C(c1ccc(OCCC(C)C)cc1)[C@H](C(C)=O)C(=O)OCC 12412316 ACWPHFJHVAZJCZ-CBQGHPETSA-N 434.529 3.732 0 40 IHAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc(CN2C(=O)CCC2=O)cc1 12863635 NVLOIRJGZIPUEB-UHFFFAOYSA-N 443.507 3.573 0 40 IHAB CCCCCCn1nc(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)c2ccccc2c1=O 12998410 YOQUZHVNLACHEE-OAHLLOKOSA-N 434.496 3.949 0 40 IHAB CCOc1cc2c(cc1CNC(=O)c1ccccc1I)O[C@H](C)C2 13000659 MBXRBPVJXJMPGY-GFCCVEGCSA-N 437.277 3.943 0 40 IHAB C[C@H](C(=O)O)n1c(S[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)nnc1-c1cccs1 13009608 SWNPJEBILKGFCT-BDJLRTHQSA-N 446.529 3.903 0 40 IHAB CCN(C(=O)Cn1c(=O)n(CCc2ccccc2)c(=O)c2sccc21)c1ccccc1 13533474 NPUZQQBPVHYUTF-UHFFFAOYSA-N 433.533 3.521 0 40 IHAB CCOC(=O)COc1c(Cl)cc(/C=C2/N=C(c3cccc(F)c3)OC2=O)cc1OC 13564639 MAYIGINYLDAEMX-LZYBPNLTSA-N 433.819 3.774 0 40 IHAB COc1ccc(S(=O)(=O)Nc2nc3ccc(C(=O)Nc4nccs4)cc3s2)cc1 13688389 BVPGNFYZASQVOE-UHFFFAOYSA-N 446.535 3.815 0 40 IHAB COc1cccc(OC)c1OCCOCCN1CCN(c2nsc3ccccc23)CC1 13690892 BAZZOCFEJVUJDX-UHFFFAOYSA-N 443.569 3.531 0 40 IHAB CCn1c(CC(=O)Nc2ccccc2C)nnc1SCC(=O)Nc1ccc(F)cc1F 13955921 SRSFOVUDLGNQGR-UHFFFAOYSA-N 445.495 3.797 0 40 IHAB CCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCO)cc1OCC 16806388 PSZLIXVTTPQKPC-QFIPXVFZSA-N 437.492 3.908 0 40 IHAB Cc1cc(NC(=O)c2cccs2)n(-c2nc(O)c3cnn(-c4ccc(C)c(C)c4)c3n2)n1 17053580 RCQABGLFOVKAGX-UHFFFAOYSA-N 445.508 3.946 0 40 IHAB Cc1cc2[nH]c(=O)[nH]c2cc1NC(=O)c1cc(C2CCN(Cc3cccc(F)c3)CC2)no1 19125895 IAFVZVIWLSXOCZ-UHFFFAOYSA-N 449.486 3.924 0 40 IHAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCN(C(=O)CCc4ccno4)C3)cc2N1 19451340 OQFIZGMRGQDPDA-UKPHBRMFSA-N 425.455 3.763 0 40 IHAB CC(C)c1cc(C(=O)N2CCO[C@@H](c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)[nH]n1 19451875 NMWOKXFWUPMEBB-MRXNPFEDSA-N 435.406 3.816 0 40 IHAB COc1ccccc1CC(=O)N1CCNC(=O)[C@@H](Cc2ccccc2-c2ccccc2)C1 19569668 KOVAVFGDBHMMDN-QHCPKHFHSA-N 428.532 3.722 0 40 IHAB CNC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CCCN(C(=O)COc2ccccc2)C1 19591115 CVNOTZZNFUSLPP-MHZLTWQESA-N 443.547 3.725 0 40 IHAB COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1 19643424 UJLGMONSDSFZGC-UHFFFAOYSA-N 445.500 3.931 0 40 IHAB CN1C[C@@H](NC(=O)c2ccccc2)C[C@H]1c1nc(-c2ccc(OC(F)(F)F)cc2)no1 20464059 QVXSXFUPCSEWNA-RDJZCZTQSA-N 432.402 3.810 0 40 IHAB biogenic,in-vitro O=C(Nc1cccc(C(F)(F)F)c1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 20898324 IWDDFTSAQNLPTG-UHFFFAOYSA-N 426.460 3.886 0 40 IHAB COCCN1C(=O)c2[nH]nc(-c3c(C)cc(C)cc3O)c2[C@H]1c1ccc(OC)c(OC)c1 21782971 KBABHXNFKVCFIB-HSZRJFAPSA-N 437.496 3.608 0 40 IHAB Cc1ccc2c(c1)[C@@H](NC(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O)CC(C)(C)O2 22329679 XNIOLBPGMIUOOT-FQEVSTJZSA-N 430.570 3.796 0 40 IHAB CCc1ccc(S(=O)(=O)c2cnc3ccc(C)cc3c2N2CCC(C(N)=O)CC2)cc1 23109713 DTYAUEZCWGLJKC-UHFFFAOYSA-N 437.565 3.640 0 40 IHAB COc1ccc(-c2cc(NS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)ccc2OC)cc1 24754102 IRGBDYXWUXOOEU-UHFFFAOYSA-N 447.534 3.575 0 40 IHAB CCOC(=O)c1ccsc1NC(=O)CN(C)Cc1c(C)nn(-c2ccccc2)c1C 24776548 WILXJBHDHSPXJC-UHFFFAOYSA-N 426.542 3.798 0 40 IHAB CCC(=O)c1ccc(OC[C@@H](O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 25058933 SWTMMSCGYFUGHR-NRFANRHFSA-N 439.533 3.915 0 40 IHAB COc1ccc(CNS(=O)(=O)c2ccc(SC)c(C(=O)N3CCCCCC3)c2)cc1 26119950 GNOVOBIUSYMBOS-UHFFFAOYSA-N 448.610 3.912 0 40 IHAB O=S(=O)(NC1C[C@@H]2CC[C@H](C1)N2Cc1ccc2c(c1)OCO2)c1ccc(Cl)cc1 27698332 GNCIHSRSWXHHNM-AYHJJNSGSA-N 434.945 3.543 0 40 IHAB O=C(Nc1ccc(Br)cn1)c1ccc(Cn2cc(Br)cn2)o1 27980828 FTMILTQYUXPLTR-UHFFFAOYSA-N 426.068 3.697 0 40 IHAB O=C(Nc1ccc2oc(=O)ccc2c1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 32096701 WOMYOKFEMWJJHW-ZDUSSCGKSA-N 427.254 3.547 0 40 IHAB NC(=O)Cn1c(CNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2ccccc2c1=O 32753233 NJAWDIZMMMIDKS-UHFFFAOYSA-N 444.335 3.532 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)N[C@@H](C)c1ccc2c(c1)OCO2 32889203 YMOCFWYJHVOONE-IRXDYDNUSA-N 444.553 3.778 0 40 IHAB CCN(CC)C(=O)CSc1nnc(SCC(=O)N[C@@H](C)c2ccccc2C)s1 32947318 GYALKZXNYUAOHP-AWEZNQCLSA-N 438.644 3.777 0 40 IHAB CN(C)Cc1ccccc1NC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 36834741 KYZMHOHCASIGMS-UHFFFAOYSA-N 429.586 3.954 0 40 IHAB CSc1cccc(NC(=O)Cn2nc3c(SC4CCCCC4)nccn3c2=O)c1 49008947 FMDFUFAEPICREP-UHFFFAOYSA-N 429.571 3.676 0 40 IHAB CC[C@H](Sc1nc2cc(OC)c(OC)cc2c2nc(C)nn12)C(=O)NC1CCCCC1 49421466 XZBUZYWNQOJIKZ-IBGZPJMESA-N 443.573 3.923 0 40 IHAB CCOC(=O)N1CCC(NC(=O)Nc2ccc(Oc3ccc(C)cc3OC)nc2)CC1 58099461 NXGYGRFTLFSGGA-UHFFFAOYSA-N 428.489 3.933 0 40 IHAB CC(C)c1noc(CCCNc2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)n1 58104688 YFUCVPWGQMNQKC-UHFFFAOYSA-N 442.829 3.851 0 40 IHAB Cc1cc2nc(SCC(=O)Nc3cc(F)ccc3F)n(Cc3ccco3)c(=O)c2[nH]1 67236425 FTLQTWWAVMSNBV-UHFFFAOYSA-N 430.436 3.683 0 40 IHAB CC[C@@H](C)N1C(=O)c2ccccc2[C@H](C(=O)Nc2nnc(COC)s2)C12CCCC2 71280851 IESWRLNMHKEQIV-RDTXWAMCSA-N 428.558 3.974 0 40 IHAB Cc1ccc2c(c1)C(=O)C[C@@H](C1CCN(C(=O)c3cc(-c4cn(C)nc4C)on3)CC1)O2 72336686 ADZRETIJRCNPSL-QFIPXVFZSA-N 434.496 3.578 0 40 IHAB CCN(CC)CCNc1nc(-c2ccccn2)nc2c1CN(Cc1ccc(F)cc1)CC2 72340125 JJKLWTPTARVAKA-UHFFFAOYSA-N 434.563 3.990 0 40 IHAB CCN1CCN(C(=O)c2ccccn2)[C@H](Cc2ccccc2-c2ccccc2OC)C1=O 72351487 FNTZOVYKTXPKAU-HSZRJFAPSA-N 429.520 3.673 0 40 IHAB CC(=O)NCc1cnc([C@H]2CCCN2C(=O)COc2ccc(F)cc2)cc1C(F)(F)F 72356214 UWUNGRBTHYTZDC-LJQANCHMSA-N 439.409 3.618 0 40 IHAB CC(=O)Nc1cccc2c1CCN(c1nc3ccccc3nc1N1C[C@H](C)O[C@@H](C)C1)C2 89936783 FEWQGEUZGBVJLL-IRXDYDNUSA-N 431.540 3.765 0 40 IHAB O=C(O)C[C@H](CC(=O)NCC1CCN(C(=O)c2ccccc2F)CC1)c1cccs1 90607352 FKJRQPQDUOUXQZ-INIZCTEOSA-N 432.517 3.504 0 40 IHAB O=C(C1CC1)N1CCc2nc3cc([C@@H]4CCCCN4Cc4cccs4)nn3c(O)c2C1 100233928 CSMUYOWCZFAHRF-FQEVSTJZSA-N 437.569 3.518 0 40 IHAB CCCC(=O)N1CCc2c(nc3cc([C@@H]4CCCN4Cc4ccccc4F)nn3c2O)C1 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Cc1nc([C@H]2CCCN(C(=O)Cn3ccnc3C(C)C)C2)ncc1C(=O)Nc1ccccc1 19765273 KRVLRQGGXLSORF-IBGZPJMESA-N 446.555 3.763 0 40 IHAB CCOC(=O)c1c(NC(=O)CN2CCOCC2)sc(Cl)c1-c1ccc(F)cc1 19790524 HPPZKMCOHGEJBO-UHFFFAOYSA-N 426.897 3.655 0 40 IHAB CCOc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3Cl)C2)cc1 19859674 FECWGWRXSCUBCS-INIZCTEOSA-N 436.961 3.919 0 40 IHAB COC(=O)[C@](NC(=O)Cc1ccccc1)(Nc1ncc(Cl)cc1Cl)C(F)(F)F 19944555 CYTJRTQYAAMMHA-INIZCTEOSA-N 436.217 3.591 0 40 IHAB CCOc1ccc([C@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3ccc(C)cc3)CC2)cc1 20107486 LYERSPNXVCFYNU-IBGZPJMESA-N 444.597 3.813 0 40 IHAB COc1ccc(C(=O)N[C@H]2CC[C@]3(C)CC[C@@H]([C@H](C)C(=O)NC4CC4)[C@H](O)[C@H]3[C@@H]2C)cc1 20466197 KNZIUABBUGLNHK-XZPQOCTFSA-N 442.600 3.532 0 40 IHAB biogenic,in-vitro CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)N1CCc2ccccc21 21277675 KKXFHWLRPVQSIA-KRWDZBQOSA-N 433.371 3.890 0 40 IHAB CCc1ccccc1NC(=O)CN1CCN(C(=O)/C=C/c2c(F)cccc2Cl)CC1 23928909 ZNBUEOUYMRTBOM-ZHACJKMWSA-N 429.923 3.838 0 40 IHAB CCCOc1c(Cl)cc(/C=C/C(=O)N2C[C@H](C(=O)NC)Oc3ccccc32)cc1OC 29767707 TVPMAOAZCDHBAV-SQUSKLHYSA-N 444.915 3.691 0 40 IHAB Cc1cccc([C@@H](CNC(=O)NCc2cccnc2OC2CCCC2)N2CCOCC2)c1 31193210 OLOBMKCVYVEXJW-HSZRJFAPSA-N 438.572 3.584 0 40 IHAB Cc1ccc([C@@H](NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c2ccccc2)cc1C 32759269 LLTNADYSJCLSCA-QFIPXVFZSA-N 429.563 3.775 0 40 IHAB CCCN(C(=O)C1CCN(S(=O)(=O)CC)CC1)[C@@H](C)c1ccccc1Br 40122716 KBQKXRTZIRSAQD-HNNXBMFYSA-N 445.423 3.810 0 40 IHAB COc1ccc(F)cc1COC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC(C)C 57958147 BKBKFUMYNUCDDV-DEOSSOPVSA-N 440.471 3.513 0 40 IHAB Cc1ccc(NC(=O)c2csc(-c3ccccn3)n2)cc1S(=O)(=O)N1CCCCC1 57995746 HYAOCCYXHNNFTH-UHFFFAOYSA-N 442.566 3.940 0 40 IHAB O=C(Nc1ccc(Cl)cc1)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 64985270 IPGRVDXNPGNHCL-HXUWFJFHSA-N 428.897 3.935 0 40 IHAB Cc1cccc(-c2c[nH]c([C@@H]3CCCN3CCC(=O)N3CCN(c4ccccn4)CC3)n2)c1 72308655 PTRSAVJLTUNFPU-QHCPKHFHSA-N 444.583 3.656 0 40 IHAB C[C@@H]1Cc2cc(CN3CCC[C@H]([C@H](NC(=O)[C@@H]4CCCO4)c4ccccn4)C3)ccc2O1 72330606 YNDJUFYEHGEVFJ-ZKSSIVGNSA-N 435.568 3.654 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N[C@@H]1CCC[C@H](OC(=O)Nc2ccc(F)cc2)C1 77200407 UONXDFATPMSJPD-MSOLQXFVSA-N 436.505 3.981 0 40 IHAB COc1ccc2nc(I)c(C3N4CC5(C)CN3CC(C)(C4)C5)cc2c1 79124177 LSVXFGILRHNTFG-UHFFFAOYSA-N 449.336 3.894 0 40 IHAB COC(=O)[C@@H]1Oc2cc(C)oc(=O)c2[C@H]1c1cccc(OC)c1OCc1ccccc1F 85413598 GXQQVEWWWFSXQW-DENIHFKCSA-N 440.423 3.741 0 40 IHAB C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3ccc(F)c(Cl)c3F)cc2)C[C@@H](C)O1 95986359 XOYSQKOOTCOMOP-VXGBXAGGSA-N 444.887 3.668 0 40 IHAB COc1cccc([C@H](C)CC(=O)N2CCN([C@@H]3CCCN(c4ccccc4)C3=O)CC2)c1 95998352 RCMHMQNDLPYSSU-HYBUGGRVSA-N 435.568 3.529 0 40 IHAB Cc1[nH]c2c(Cl)cccc2c1CCNC(=O)CSc1nnnn1-c1ccccc1 98086763 RJRFBFDKGDWYHX-UHFFFAOYSA-N 426.933 3.556 0 40 IHAB COc1cccc(CN[C@@H](c2cc(O)n3nc(C4CCOCC4)cc3n2)C(C)C)c1OC 100730051 CTXGRNBYJHGAIB-HSZRJFAPSA-N 440.544 3.833 0 40 IHAB S=C(NCc1ccc(CNC(=S)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1)N[C@H]1C[C@@H]2CC[C@@H]1C2 100999093 ZKKNNLRBCRXHKQ-ILHTXMRTSA-N 442.698 3.992 0 40 IHAB Cc1cc(C)c2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2[C@H]2CCCN21 101351936 YPHXLCSUUWHSJE-PUFAWVJESA-N 449.938 3.696 0 40 IHAB COc1ccc(-c2nc3n(n2)[C@@H](c2ccc(OC)c(OC)c2)[C@H]2C(=O)CCC[C@H]2N3)cc1 104711104 QJIHSAQIHXCLAB-YHYVQYDKSA-N 434.496 3.724 0 40 IHAB Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)CC2)c(C)c1 105881796 XIKCJKLBEFBPSZ-WAGURGNTSA-N 432.630 3.953 0 40 IHAB CC(=O)O[C@H]1C[C@H](C(C)=O)[C@@]2(C)CC[C@@]3(O)[C@@H](CC[C@H]4C[C@H](OC(C)=O)CC[C@@]43C)[C@H]12 123204400 BTJJGPCIDWESHX-RJFXTKSVSA-N 434.573 3.823 0 40 IHAB C[C@H](NC(=O)COC(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1)c1ccccc1 138711118 VECCFZPPEMVMEW-ZFWWWQNUSA-N 435.307 3.767 0 40 IHAB CC[C@H]1CCCCN1c1nc(=O)c2c([nH]1)NC(=O)C[C@H]2C(=O)Nc1cccc2ccccc12 139113514 BQEWJQLJRNDEBK-FUHWJXTLSA-N 445.523 3.757 0 40 IHAB CCOc1ccc(CCCNC(=O)[C@@H](C)N(c2ccc(CC)cc2)S(C)(=O)=O)cc1 220289544 NCNNKHPQYYIWMV-GOSISDBHSA-N 432.586 3.551 0 40 IHAB CC[C@@H](C(=O)N[C@@H](C)COc1ccccc1C)N(c1cc(C)ccc1C)S(C)(=O)=O 220555034 SYVULYODYLUGFJ-PMACEKPBSA-N 432.586 3.740 0 40 IHAB CCN(c1ccc(C(=O)NCc2ccc(OC(C)C)c(OC)c2)cc1)S(=O)(=O)CC 222399526 LADWODDJFYEAED-UHFFFAOYSA-N 434.558 3.588 0 40 IHAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CCc1ccc2c(c1)OCO2 222844975 NMXQHIJDWBKNQD-NRFANRHFSA-N 440.540 3.689 0 40 IHAB CC[C@@H](NC(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 223037877 ZBLRSBXBZRGPCV-JOCHJYFZSA-N 430.570 3.608 0 40 IHAB COC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(C)c2)c1 224131170 RVJITKPPKCWFTP-UHFFFAOYSA-N 438.505 3.859 0 40 IHAB CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(F)cc1 224908354 DLKHICKYEMWCRN-JOCHJYFZSA-N 430.520 3.793 0 40 IHAB O=C(Cc1cccc(C(F)(F)F)c1)N1CCN(c2nccn3nc4c(c23)CCCC4)CC1 225742943 USMBTFWFHDMZGA-UHFFFAOYSA-N 443.473 3.518 0 40 IHAB COc1ccc(-c2nnc3n2[C@@H]2CCCC[C@H]2N(C(=O)CC[C@H]2CCCO2)C3)cc1OC 248139870 RFXMNLCSUYOOCS-GUDVDZBRSA-N 440.544 3.747 0 40 IHAB COc1ccc(OC)c(N([C@H](C)C(=O)N[C@H](C)c2cc(C)c(C)cc2C)S(C)(=O)=O)c1 260928677 KJNMNOSBFMTMEA-QZTJIDSGSA-N 448.585 3.661 0 40 IHAB CC(C)n1nccc1[C@@H]1CN(CC2CCCC2)C[C@@]12OCCN(Cc1ccccc1)C2=O 306138721 SFRIYXKTQZIBOJ-JYFHCDHNSA-N 436.600 3.851 0 40 IHAB C[C@H](CCc1ccccc1)NC(=O)[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1Cl 408584368 OTNFZHDAKPFXCD-ZIAGYGMSSA-N 429.369 3.798 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](C)CCc3ccccc3)C2)cc1C 408584407 PKOOSGQVNXPOIA-CTNGQTDRSA-N 444.597 3.542 0 40 IHAB COC(=O)c1cccc(NC(=O)CCCN(c2cc(C)ccc2C)S(C)(=O)=O)c1C 408705656 KPGQVWZVJHVQIG-UHFFFAOYSA-N 432.542 3.583 0 40 IHAB Cc1ccc(-c2nnc(CN(C)C(=O)c3cccc(I)c3)o2)cc1 408714167 KELWXBQITHWLSW-UHFFFAOYSA-N 433.249 3.922 0 40 IHAB COc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccc(OCCC(=O)O)cc2)S1 408805388 ARMSWIGBYSSKCI-UHFFFAOYSA-N 433.893 3.965 0 40 IHAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3COc4ccccc4O3)cc2)cc1C 408927182 TVRURPUWWUDJOE-JOCHJYFZSA-N 438.505 3.883 0 40 IHAB COc1ccc2c(=O)c(C(=O)N3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@H]56)[C@@H]43)cn(C)c2c1 604405040 UUMMXSSKTYBNHN-ILWHBRQTSA-N 447.579 3.582 0 40 IHAB biogenic Cc1nc2ccnn2c(C)c1CCc1nc(-c2cc(Cl)c3c(c2)OCCCO3)no1 680664112 PBQQTSDURADGBE-UHFFFAOYSA-N 425.876 3.996 0 40 IHAB COc1cccc2sc(N3CCN(c4cc(C5CCOCC5)nc(C)n4)CC3)nc12 1888921771 LQPJSWJHQMVXGF-UHFFFAOYSA-N 425.558 3.624 0 40 IHAB Cc1cc(S(=O)(=O)Nc2ccccn2)c(C)c(S(=O)(=O)c2ccc(Cl)cc2)c1 832294 HTVBWTQOPOBZKH-UHFFFAOYSA-N 436.942 3.985 0 40 IHAB CCOc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)S(=O)(=O)c3ccccc3)cc2c1 918535 BMRFQLLYLVEGSV-UHFFFAOYSA-N 449.532 3.713 0 40 IHAB COc1cc(NC2=NS(=O)(=O)c3ccccc32)c(OC)cc1NC(=O)c1ccccc1 936111 ZOFWCEZQCXHZBE-UHFFFAOYSA-N 437.477 3.517 0 40 IHAB COC(=O)[C@H](C)Sc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC(C)(C)OC3 1247056 CMXFDWPJNKTELY-LBPRGKRZSA-N 430.551 3.952 0 40 IHAB C/C(NCc1ccccc1Br)=C1/C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O 1407334 UKJFBIOVHKUVCF-LFIBNONCSA-N 448.704 3.749 0 40 IHAB CC(=O)c1ccc(N2CCN(c3ncnc4c3cnn4-c3ccc(C)cc3C)CC2)cc1 2370732 STRQUPGUKJUKEE-UHFFFAOYSA-N 426.524 3.962 0 40 IHAB CCN(CC)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(C(=O)OC)cc1 2413947 DXIZLNWLGWAYDJ-JOCHJYFZSA-N 448.519 3.857 0 40 IHAB CCOC(=O)COc1cccc2c(=O)n(CC(=O)Nc3cccc4ccccc34)ccc12 2712204 JRMRLSDUAGKNCG-UHFFFAOYSA-N 430.460 3.735 0 40 IHAB COc1ccc(-c2nsc(SCC(=O)N3CCN(c4ccccc4)CC3)n2)cc1 3007356 RRQJGUITGHZYOC-UHFFFAOYSA-N 426.567 3.655 0 40 IHAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cccc(NC(C)=O)c1 6786908 NQNMNPGIPSRQLN-UHFFFAOYSA-N 427.501 3.531 0 40 IHAB C[C@H](NC(=O)CSc1nnc(CN2CCCCC2)n1-c1ccccc1)c1ccco1 7318726 PGKQFYPUXDIOAN-KRWDZBQOSA-N 425.558 3.816 0 40 IHAB CCN1CCc2c([nH]c3ccccc23)[C@H]1c1c(O)[nH]c(=O)n(CCC2=CCCCC2)c1=O 8876337 PHGNPIHHGDQPKR-JOCHJYFZSA-N 434.540 3.581 0 40 IHAB biogenic O=C(Nc1nc2c(s1)CC[C@H]2C(=O)Nc1ccc2c(c1)OCO2)c1ccc(F)cc1 9131648 UKEJXXUJSNMWTK-CQSZACIVSA-N 425.441 3.932 0 40 IHAB CCOC(=O)COc1ccc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)cc1 9144661 ACPXOXCBSFGZCG-UYRXBGFRSA-N 445.468 3.883 0 40 IHAB Cc1c(C)c2cc(Cl)c(OCC(=O)N3CCN(c4ccc(F)cc4)CC3)cc2oc1=O 9302869 PLWXMMWVDVZHTI-UHFFFAOYSA-N 444.890 3.930 0 40 IHAB Cc1cc(OCC(=O)N(Cc2ccccc2Cl)[C@@H]2CCS(=O)(=O)C2)ccc1Cl 9460800 DDUBVVQEGDGBDL-MRXNPFEDSA-N 442.364 3.897 0 40 IHAB C[C@@H](Sc1nnc(COc2ccccc2F)n1N)C(=O)Nc1ccc2ccccc2c1 9464448 OGNDJZBXOIWOKC-CQSZACIVSA-N 437.500 3.983 0 40 IHAB Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)c(O)c1 9506758 ZJLYQYDWSLQIBT-UHFFFAOYSA-N 442.459 3.759 0 40 IHAB COc1ccc(CCNC(=O)COC(=O)COc2ccc(OCc3ccccc3)cc2)cc1 9612716 HKOYISMBFLPZHS-UHFFFAOYSA-N 449.503 3.555 0 40 IHAB O=C(CN1CCc2sccc2[C@@H]1c1cccs1)NC(=O)Nc1ccc2c(c1)OCO2 9712412 VBLFTOLXJXMZEA-HXUWFJFHSA-N 441.534 3.834 0 40 IHAB O=C(COc1ncnc2scc(-c3ccccc3)c12)NC[C@H]1COc2ccccc2O1 9833899 HPBWQQFJBRDRPV-INIZCTEOSA-N 433.489 3.693 0 40 IHAB COc1ccc(C(=O)Nc2cccc(/C=C/c3ccccn3)c2)cc1S(=O)(=O)N(C)C 9984004 WTIVKNRWTQLIBG-ZRDIBKRKSA-N 437.521 3.763 0 40 IHAB O=C(NCCc1ccccc1)C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1 10220743 ABSHAYCVAFWMSR-UHFFFAOYSA-N 433.533 3.639 0 40 IHAB COc1cn(CC(=O)NCc2ccc(C)cc2)c(CSc2nc(C)cs2)cc1=O 10254663 NHXHZCYCWSNGQE-UHFFFAOYSA-N 429.567 3.539 0 40 IHAB COc1ccc(N(CCCC(=O)Nc2ccccc2OC)S(C)(=O)=O)cc1Cl 10372351 QORRDZNCVHYTAZ-UHFFFAOYSA-N 426.922 3.542 0 40 IHAB CC(C)Oc1ccc(C(=O)NCC(=O)O[C@H](C)C(=O)Nc2ccc(C(C)C)cc2)cc1 11717084 SGFVDCWDJYGMFV-QGZVFWFLSA-N 426.513 3.897 0 40 IHAB CN(C)c1nc2c(c(N3CCC(N4CCCCC4)CC3)n1)CCN(Cc1ccccc1)C2 12142765 BTHKVIZMATTXHQ-UHFFFAOYSA-N 434.632 3.556 0 40 IHAB CCc1nnsc1C(=O)N1CCC[C@@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](CC)N2 12181396 RCPQVRVEUJWCCS-LERXQTSPSA-N 428.484 3.972 0 40 IHAB CCOc1cc(CCC(=O)N2CCC[C@H](c3nn(C(C)(C)C)c4ncccc34)C2)on1 12275604 SATYDGKASBLYHH-INIZCTEOSA-N 425.533 3.912 0 40 IHAB Cc1nn(C)c(C)c1NC(=O)CSc1nc2sc3c(c2c(=O)n1C(C)C)CCC3 12760330 WBVAHMATKITCCU-UHFFFAOYSA-N 431.587 3.609 0 40 IHAB CC(=O)c1sc(NC(=O)c2cccc(N3CCCS3(=O)=O)c2)nc1-c1ccccc1 12812952 YYMIAYMSMZLEGF-UHFFFAOYSA-N 441.534 3.805 0 40 IHAB Cc1ccccc1Nc1nc(N)nc(COC(=O)c2c(C)nn(-c3ccccc3)c2C)n1 13112803 FTEBSOCELZILDS-UHFFFAOYSA-N 429.484 3.665 0 40 IHAB CCC[C@H](c1nnnn1C(C)(C)CC)N(CCCO)Cc1cc2cc(C)ccc2[nH]c1=O 13501020 FTAAZFBUVHUJJX-OAQYLSRUSA-N 440.592 3.694 0 40 IHAB Cc1ccc(C)c(NC(=O)[C@@H](C)SC(=S)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c1 13572387 IDYRLVHBJVAJJH-KURKYZTESA-N 441.622 3.930 0 40 IHAB CCN1CCN(C(=O)C(=O)c2c(-c3ccc(OC)c(Cl)c3)cc3ccccn23)CC1 13609675 VPPCUEYFRLGMMU-UHFFFAOYSA-N 425.916 3.615 0 40 IHAB COc1ccc(CNS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)cn1 14099439 ADXJEYKXSUXRQL-UHFFFAOYSA-N 426.119 3.638 0 40 IHAB O=C(Cc1cc(Cl)c2c(c1)OCCO2)Nc1ccc2nc(N3CCOCC3)sc2c1 14247138 ZCYKZQGKVZXXLH-UHFFFAOYSA-N 445.928 3.739 0 40 IHAB CCOC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1 14830977 XOUNAZHXNHITBF-UHFFFAOYSA-N 430.526 3.599 0 40 IHAB COc1cc(NC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc(OC)c1OC 15511121 AXFWCLQXPHKWKD-UHFFFAOYSA-N 432.432 3.765 0 40 IHAB CC(C)C[C@@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2cccc(F)c2)o1 15989691 LUNIYWHVPBHLON-OAHLLOKOSA-N 427.498 3.795 0 40 IHAB CNc1nn(CC(=O)Nc2c(C)cccc2C)c(N)c1-c1nc(-c2ccc(C)cc2)no1 17051889 VXEHAGGZKZJCMC-UHFFFAOYSA-N 431.500 3.788 0 40 IHAB Cc1cc(=O)oc2cc(OC(=O)CCn3cnc4sc5c(c4c3=O)CCCC5)ccc12 18230642 WDMMCHYTRIAGAG-UHFFFAOYSA-N 436.489 3.747 0 40 IHAB Cc1cc(-c2cnc(N3CCCC3)nc2C2CCN(C(=O)c3scnc3C)CC2)on1 19122943 RPQMWHURIYZHJX-UHFFFAOYSA-N 438.557 3.825 0 40 IHAB Cc1nc2c(c(N(Cc3ccccn3)C[C@@H]3CCCO3)n1)CCN(Cc1ccccc1)C2 19286164 SXJDGZYYLHEHRQ-QHCPKHFHSA-N 429.568 3.924 0 40 IHAB O=C1CCC[C@]2(CN(C(=O)c3cccc(Oc4ncccn4)c3)C[C@H]2c2ccccc2F)N1 19368181 SHVMURZYISLTQF-NBGIEHNGSA-N 446.482 3.687 0 40 IHAB C[C@@H]1CCC[C@@H](C)N1C(=O)c1c[nH]nc1C1CCN(C(=O)c2cccc(N(C)C)c2)CC1 19496074 AIQIMYPXQFHGAE-QZTJIDSGSA-N 437.588 3.899 0 40 IHAB CCCN1CCN(C(=O)c2ccn(C)n2)C[C@@H](Cc2cccc(-c3ccccc3)c2)C1=O 19503003 VSWBUYRAMGWVHE-HSZRJFAPSA-N 430.552 3.640 0 40 IHAB CCc1cc(C(F)(F)F)nc([C@H]2CCN(C(=O)c3cccc(Cn4ccnc4)c3)C2)n1 19522565 OLPZSGDZPIMRFV-KRWDZBQOSA-N 429.446 3.932 0 40 IHAB Cc1nc([C@H]2CCCCN2C(=O)c2ccc3c(c2)ncn3C2CC2)ncc1C(=O)N(C)C 19765590 HFFWXIHDZRSVFO-OAQYLSRUSA-N 432.528 3.539 0 40 IHAB O=C(NC1CCCCCCC1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 20008241 WHXQBEBAILITOX-QFIPXVFZSA-N 432.561 3.944 0 40 IHAB C[C@H]1Cc2ccccc2N1C(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 20047273 QNLSTOXJGCWIMY-INIZCTEOSA-N 432.973 3.860 0 40 IHAB COc1cc(OC)cc(C(=O)NC(=S)Nc2ccc(OC)c(-c3ccc(CO)o3)c2)c1 20153525 ZWTGLAGVUQGCLP-UHFFFAOYSA-N 442.493 3.592 0 40 IHAB O=C1CCCN1Cc1ccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 20493664 DXBQIIJRTIFIBO-UHFFFAOYSA-N 431.458 3.790 0 40 IHAB CCN(CC)CCNC(=O)[C@H](C)SCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 21212763 KRSADPPNCPPIKC-HNNXBMFYSA-N 444.626 3.731 0 40 IHAB Cc1ccc(CNC(=O)C(=O)NC[C@H](c2cccs2)N2CCc3ccccc3C2)cc1 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COc1cccc(NC(=O)CSc2nnc(-c3ccc4c(c3)OCO4)n2-n2cccc2)c1 28047694 IRABDBKNHMDZDH-UHFFFAOYSA-N 449.492 3.526 0 40 IHAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)CSc2nnnn2Cc2ccccc2)cs1 31628840 GMOGTLDVPNNCTM-UHFFFAOYSA-N 448.577 3.835 0 40 IHAB COc1cc(-c2nc3c(c(=O)[nH]c(=O)n3CC(C)C)n2CC(C)C)cc(Cl)c1OC 32668289 QNNWFCSLHZEULE-UHFFFAOYSA-N 434.924 3.536 0 40 IHAB CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C[C@@H]([C@H]5C(c6ccc(Cl)cc6)=NO[C@H]45)[C@H]3C2=O)cc1 36580068 JUKXLVWUIODHES-MGKGBGQOSA-N 434.879 3.717 0 40 IHAB CCn1nc(C)c2c(C(=O)N3CCN(c4cc(C)c5ccccc5n4)CC3)cc(C)nc21 36612073 ILAQCNNYEYPUPS-UHFFFAOYSA-N 428.540 3.887 0 40 IHAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)c1C 36753833 LVSMQXWNOLMANS-INIZCTEOSA-N 438.524 3.771 0 40 IHAB Cc1ccc(CNC(=O)CSc2nnc3c4cc(-c5ccc(F)cc5)nn4ccn23)cc1 38486881 UECOVORWBVMIPM-UHFFFAOYSA-N 446.511 3.900 0 40 IHAB CCc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1 39189435 RMGMTPAMLXIKLB-UHFFFAOYSA-N 428.444 3.845 0 40 IHAB COc1ccc(CCN2C[C@@H](C(=O)N[C@H](C)c3cccc(Cl)c3)CC2=O)cc1OC 45702744 QJZVZHBAIRAQSB-QAPCUYQASA-N 430.932 3.626 0 40 IHAB O=C(NC1CCN(C(=O)c2cn(-c3ccc(Cl)cc3)nn2)CC1)c1ccccc1Cl 49406283 PKASDHFZNMGVJK-UHFFFAOYSA-N 444.322 3.609 0 40 IHAB CN(C)CCOc1ccccc1C(=O)N1CCC[C@H]1c1cccc(Nc2cnccn2)n1 72375582 MBADWGJNPQHZAI-FQEVSTJZSA-N 432.528 3.533 0 40 IHAB COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCCN2S(=O)(=O)c2ccccc2)c1 72376610 RKQJLQUGUZHZEH-OAQYLSRUSA-N 438.553 3.744 0 40 IHAB CN(Cc1ncc(-c2cccc(Br)c2)o1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O 78969765 VGPMBGLFJOPDLY-WBVHZDCISA-N 427.364 3.892 0 40 IHAB COc1ccccc1-c1cc(C(F)F)n2ncc(C(=O)NC3C[C@@H]4CC[C@@H](C3)N4C)c2n1 101901889 NDUVTEUQMCJKDY-GJZGRUSLSA-N 441.482 3.698 0 40 IHAB CC(=O)NC12C[C@H]3C[C@H](C1)CC(C(=O)OCC(=O)N(Cc1ccccc1)C(C)(C)C)(C3)C2 102788138 DGBUQXFWWOWLFE-ITYMFSOSSA-N 440.584 3.832 0 40 IHAB COc1ccc([C@@H]2C=C(C(=O)O)Nc3nc(-c4cccc(Br)c4)nn32)cc1 102859863 QUMHCJMLFFZWTH-INIZCTEOSA-N 427.258 3.700 0 40 IHAB CC(C)(C)OC(=O)N[C@@]1(CN)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218058907 WAPZTEYKJAHIHL-LQWHRVPQSA-N 436.961 3.502 0 40 IHAB Cc1cc(C(=O)NCCSCc2cccc(Cl)c2)ccc1N(C)S(C)(=O)=O 222470597 CVQPQUWLGHOMIW-UHFFFAOYSA-N 426.991 3.707 0 40 IHAB Cc1cccc(CSCCNC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)c1 222494346 KCJFOYQXOWOLLR-UHFFFAOYSA-N 426.991 3.707 0 40 IHAB COc1ccc(Cl)cc1NC(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O 222676839 JYPISVXTHUJDDL-UHFFFAOYSA-N 432.876 3.812 0 40 IHAB COc1ccc(N(CC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)S(C)(=O)=O)cc1Cl 223415210 HIDWZHARXXZPAV-INIZCTEOSA-N 438.977 3.917 0 40 IHAB Cc1ccc2c(c1)O[C@H](C(=O)NCC1CCCCC1)CN2S(=O)(=O)c1ccccc1 224497853 PCKFXLZIAUNIFN-QFIPXVFZSA-N 428.554 3.648 0 40 IHAB CS(=O)(=O)N(Cc1ccc(C(=O)NCCc2ccc(F)cc2)cc1)c1cccc(F)c1 224801507 SYCBEJWXHLMJKG-UHFFFAOYSA-N 444.503 3.904 0 40 IHAB Cc1cc(Br)cc(C)c1NC(=O)CCc1ccc(S(=O)(=O)N(C)C)cc1 226050977 CWNXOLPIGATADZ-UHFFFAOYSA-N 439.375 3.888 0 40 IHAB COc1ccccc1-c1cc(C(=O)N2CC[C@H](Oc3ncccc3Br)C2)[nH]n1 238810693 AFNSBQYEQWRGAX-ZDUSSCGKSA-N 443.301 3.536 0 40 IHAB O=C(c1cccs1)N1CCc2nc([C@@H]3CCCN(C[C@@H]4CC=CCC4)C3)nc(O)c2C1 247958418 WKAOEZGAOOTWFQ-QZTJIDSGSA-N 438.597 3.978 0 40 IHAB Cc1cc(OCC(=O)O)c([C@H]2C[C@@H](NC(=O)CCO)C[C@@H](c3ccccc3)O2)cc1Cl 257215400 CPYXVZJFKQTOAC-NBHGPNQESA-N 447.915 3.572 0 40 IHAB COc1cccc(C(=O)N2CCNC(=O)[C@H]2Cc2ccccc2-c2ccc(F)cc2)c1OC 257217538 CZJSHPMUFKCYIG-JOCHJYFZSA-N 448.494 3.693 0 40 IHAB CCc1nc(C)c(C(=O)N2CCO[C@@H](c3cc(Nc4nc(C)cs4)cc(C)n3)C2)o1 257294943 QWJBONQBCRVAQP-QGZVFWFLSA-N 427.530 3.971 0 40 IHAB Cc1nc2cc([C@H]3CCCN3C(=O)c3cccc(F)c3)nn2c(C)c1CCC(=O)NC1CC1 257340691 ZHESPOFPCRVFHK-JOCHJYFZSA-N 449.530 3.674 0 40 IHAB CCOc1ccc(N([C@@H](CC)C(=O)N[C@H](C)COc2ccccc2C)S(C)(=O)=O)cc1 260588503 KEQWKTBJWSXDET-NQIIRXRSSA-N 448.585 3.522 0 40 IHAB COCCN1CCCn2c(C(=O)NCc3ccc(Cl)cc3)c3ccccc3c2C1=O 306142089 WPCVUAXFGMZMJB-UHFFFAOYSA-N 425.916 3.717 0 40 IHAB Cc1cccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccc(F)cc3)[C@H]2c2ccc(Cl)cc2)c1 409073788 TUNJUACKVGHJOB-VTPLCQIWSA-O 436.894 3.804 0 40 IHAB CC(C)(NC(=O)c1ccccc1F)C(=O)N1CCOC[C@H](Cc2cccc3ncccc23)C1 585262053 AANKHQGXYBUNLY-GOSISDBHSA-N 449.526 3.600 0 40 IHAB CCOC(=O)C1=C2C[C@@H](c3ccc(F)cc3)N(C(=O)OC(C)(C)C)CCN2C(=O)CC1 585284708 GWPZLZFYCIATBV-SFHVURJKSA-N 432.492 3.947 0 40 IHAB CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)N(C)C)C12CCN(Cc1ccc(F)cc1)CC2 1549168121 TYHDPKJKGDPWER-QHCPKHFHSA-N 437.559 3.897 0 40 IHAB O=S(=O)(Nc1ccc(Br)cc1)c1ccc(I)cc1 642719 XIJHKFFLPCSOHD-UHFFFAOYSA-N 438.084 3.855 0 40 IHAB COc1ccc(NC(=O)CSc2nc3c(c(=O)n2-c2ccc(C)cc2)SCC3)cc1 2719743 QIMRTPBHSOOLGI-UHFFFAOYSA-N 439.562 3.929 0 40 IHAB Cc1ccc(C(=O)c2c(NC(=O)CSc3n[nH]c(N)n3)sc3c2CCCC3)cc1 3331717 SCIHPUVWKKEFOU-UHFFFAOYSA-N 427.555 3.597 0 40 IHAB Cc1cc(F)ccc1S(=O)(=O)N(C(=O)c1ccncc1)c1ccc2oc(=O)sc2c1 3654001 YZUBVNUTJXNPAL-UHFFFAOYSA-N 444.465 3.733 0 40 IHAB CCn1c(SCC(=O)N[C@@H]2CCCC[C@@H]2C)nnc1[C@@H](C)NC(=O)c1ccccc1 4698797 FYFHXTJHRWZTQY-LZLYRXPVSA-N 429.590 3.576 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc(OC)c(OC)c2)ccc1Cl 8772021 KVMKNUNKRGNHRN-UHFFFAOYSA-N 426.922 3.640 0 40 IHAB COc1ccc(C2=NN(C(=O)CSc3ncccn3)[C@H](c3ccc(OC)cc3)C2)cc1 8830463 RQSHFQMIBDYYSU-NRFANRHFSA-N 434.521 3.964 0 40 IHAB O=C(Cn1cc(S(=O)(=O)c2ccccc2)c2ccccc21)NCc1ccc2c(c1)OCO2 8865147 VFCFQDXTUFKZPA-UHFFFAOYSA-N 448.500 3.519 0 40 IHAB Cc1ccc2c(CC(=O)N(Cc3ccc(F)cc3)[C@@H]3CCS(=O)(=O)C3)coc2c1C 8867699 PLMMCZKBMQTSKG-HXUWFJFHSA-N 429.513 3.947 0 40 IHAB COc1cccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccc(OC)c(OC)c3)c3ccccc32)c1 8919143 FCMNSKLORRZYHH-SANMLTNESA-N 447.487 3.720 0 40 IHAB CC(=O)Nc1ccc(C(=O)Nc2nnc([C@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)s2)cc1 9198083 FGVBBZBFKVAMLJ-KRWDZBQOSA-N 449.536 3.886 0 40 IHAB Cc1ccc(CNC(=O)c2nc(S(=O)(=O)Cc3ccccc3C)ncc2Cl)cc1 9206950 JONUIYHVXANTLH-UHFFFAOYSA-N 429.929 3.651 0 40 IHAB CCOC(=O)c1c(NC(=O)CCSc2ccccc2)sc2c1CCN(C(C)=O)C2 9383237 KUTJPHMLLLKPGN-UHFFFAOYSA-N 432.567 3.950 0 40 IHAB Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2C(C)(C)CO[C@H]3c2cccc(O)c2)cc1 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COC(=O)c1ccc(COC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)cc1 10738269 RCYHJHCDMTUZCZ-UHFFFAOYSA-N 436.913 3.957 0 40 IHAB CCOC(=O)c1c(C)oc2nc(COC(=O)C(C)(C)Oc3ccc(Cl)cc3)nc(N)c12 11151951 XTHKEEWZXCHGKR-UHFFFAOYSA-N 447.875 3.844 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc2nnc(SCc3nc4ccccc4s3)n2c1 11179355 BFXKXNPWISNXBG-UHFFFAOYSA-N 433.584 3.662 0 40 IHAB COc1ccc(-c2cc(COC(=O)c3sc4nc5n(c(=O)c4c3C)CCC5)on2)cc1 11388688 CYSVFLBTOBPGNH-UHFFFAOYSA-N 437.477 3.733 0 40 IHAB COc1cc(OC)cc(C(=O)N2CCN(c3cc(Oc4ccc(C)cc4)nc(C)n3)CC2)c1 12223883 ADUMKVFFOFGREK-UHFFFAOYSA-N 448.523 3.865 0 40 IHAB CC(C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NC1CC(C)(C)NC(C)(C)C1 12734550 YQBRHXLPKRPNGB-NRFANRHFSA-N 445.629 3.568 0 40 IHAB COc1cc(C(=O)NCc2ccc(Cn3cncn3)cc2)ccc1OCc1ccccc1 12783225 XZWUSRCKJZNZLK-UHFFFAOYSA-N 428.492 3.844 0 40 IHAB Cc1cccc(C)c1NC(=O)CNC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 12809511 SKNYALDFXMTTEN-UHFFFAOYSA-N 427.932 3.564 0 40 IHAB Cc1ccc(C)c(S(=O)(=O)N2CCN(Cc3nc(-c4ccccc4Cl)no3)CC2)c1 12910116 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Cc1cc2nn(-c3ccccc3)nc2cc1NC(=S)NC(=O)c1ccc2c(c1)OCCO2 14269393 ATPDZXAMSWWYIO-UHFFFAOYSA-N 445.504 3.627 0 40 IHAB Cc1cc(C(=O)COc2ccc(Br)cc2F)c(C)n1[C@H]1CCS(=O)(=O)C1 14318071 CVFOCGGZXSLFLA-AWEZNQCLSA-N 444.322 3.628 0 40 IHAB COC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 15517261 NWVBUTJQGFPGIF-SFHVURJKSA-N 431.445 3.834 0 40 IHAB O=C(NC1CCCCC1)[C@H](c1ccncc1)N(C(=O)c1csnn1)c1ccccc1F 15936183 GPLDLBYBSCIFPN-FQEVSTJZSA-N 439.516 3.909 0 40 IHAB O=C(Nc1ccccc1C(=O)NC1CC1)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 16015251 HMZRHQBAHLIOIZ-UHFFFAOYSA-N 439.471 3.627 0 40 IHAB C[C@H](NC(=O)CCCSc1nc2ccccc2s1)c1ccc(S(N)(=O)=O)cc1 16046252 KRAODQSKMTWWES-ZDUSSCGKSA-N 435.596 3.693 0 40 IHAB CCOC(=O)c1ccc(NC(=O)Cn2c(C)nc3c(sc4cccc(F)c43)c2=O)cc1 16843779 LXFJGDWOJAMEEY-UHFFFAOYSA-N 439.468 3.874 0 40 IHAB FC(F)(F)c1ccc(N2CCCN(Cn3ncn(-c4ccccc4)c3=S)CC2)nc1 16875793 DMSQUWVTLJVXQE-UHFFFAOYSA-N 434.491 3.987 0 40 IHAB O=C1C[C@@H](c2nc3ccccc3n2C[C@H](O)COc2ccccc2)CN1c1ccccc1 16902952 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IHAB CSc1ccc([C@@H](C)NC(=O)CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 20014252 ITKYZZNCIQYIAX-CQSZACIVSA-N 426.991 3.701 0 40 IHAB C[C@@H](Sc1nnc2sc3ccccc3n12)C(=O)N1CCN(Cc2ccccc2)CC1 20980147 JLKXTZCSMWCJDB-MRXNPFEDSA-N 437.594 3.769 0 40 IHAB Cc1ccc(C(=O)Nc2ccc(C(=O)OCc3cc(=O)n4c(C)csc4n3)cc2)cc1 21632821 WWXFMMOSXVDSKQ-UHFFFAOYSA-N 433.489 3.982 0 40 IHAB COc1ccc([C@@H](CNC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)N2CCCC2)cc1 21805264 QJVQDGOXQJQEQV-OAQYLSRUSA-N 449.507 3.688 0 40 IHAB Cc1cc(S(=O)(=O)Nc2ccccc2Sc2nncn2C)ccc1Br 22197323 ZJMIAYQHSCEUIJ-UHFFFAOYSA-N 439.360 3.838 0 40 IHAB Cc1ccc(OCCNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 22308711 APVLISCXYWJILC-UHFFFAOYSA-N 442.512 3.525 0 40 IHAB CCOc1ccc(N(CC(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)S(C)(=O)=O)cc1 22333373 HJZSJOUTALXBKS-FQEVSTJZSA-N 446.569 3.578 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3ccc(F)cc3)CC2)cc1C 22540153 VUDNNLBSIUOGEQ-KRWDZBQOSA-N 448.560 3.811 0 40 IHAB CCOc1ccc(CCNC(=O)/C=C/c2cc(OC)c3c(c2)OCCO3)cc1OCC 22634835 YLNKNHHSTJQTAG-VQHVLOKHSA-N 427.497 3.636 0 40 IHAB COc1ccc(Br)cc1S(=O)(=O)N(Cc1cccnc1)Cc1ccco1 22844775 XWJYZNMYLYMROB-UHFFFAOYSA-N 437.315 3.837 0 40 IHAB O=c1c(Br)c(Br)cnn1Cc1nc(-c2ccc(Cl)cc2)no1 23558963 YWJSIXHHAZHRLI-UHFFFAOYSA-N 446.486 3.520 0 40 IHAB Cc1csc(SCC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)n1 24291418 RIFLHUIQQSMWNQ-UHFFFAOYSA-N 436.912 3.960 0 40 IHAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NC[C@H](c3cccs3)N(C)C)c2)cc1 25719983 KQPBNJAGQZODGY-HXUWFJFHSA-N 443.594 3.890 0 40 IHAB Cc1nn(Cn2ccc(C(=O)N[C@H]3CCCc4ccccc43)n2)c(C)c1Br 27973725 VJYXTUPDPNVSSQ-KRWDZBQOSA-N 428.334 3.772 0 40 IHAB CC[C@@H](Oc1ccccc1F)C(=O)N(Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 28228497 BNWWNXUQMRBMQY-QFBILLFUSA-N 439.936 3.852 0 40 IHAB C[C@@H](NC(=O)c1ccn(Cn2cc(Br)cn2)n1)c1ccc(-n2cccc2)cc1 28231386 KUHAYYCSTIXVKU-OAHLLOKOSA-N 439.317 3.630 0 40 IHAB Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@@H](c1ccc(Cl)cc1Cl)SCC(=O)N2 31808111 OXDJFLLMKIHOAP-OAHLLOKOSA-N 446.323 3.929 0 40 IHAB CC1CCN(c2nnc(SCC(=O)N[C@@H](C)c3ccc4c(c3)OCO4)n2C2CC2)CC1 32876404 TWBZVZIZYMYQTK-HNNXBMFYSA-N 443.573 3.548 0 40 IHAB COc1ccc(OC)c(NC(=O)Nc2ccc(OCc3cc(=O)n4ccccc4n3)cc2)c1 33067775 ATGJVPJFXKHFNJ-UHFFFAOYSA-N 446.463 3.935 0 40 IHAB Cc1ccc(Cn2c(=O)c3ccccc3n(Cc3nc(-c4ccc(F)cc4)no3)c2=O)cc1 38487319 WYUFHDYFGFVVDN-UHFFFAOYSA-N 442.450 3.757 0 40 IHAB C[C@@H]1C[C@H](C(F)(F)F)n2nc(C(=O)OCC(=O)c3ccc(Br)cc3)cc2N1 51353937 BGNRPFRTLBYQIS-YMTOWFKASA-N 446.223 3.993 0 40 IHAB Cc1cc(=O)n(CC(=O)Nc2ccc(Cl)cc2F)c(N2CCc3ccccc3C2)n1 57506529 OIYITGOLJDBFLD-UHFFFAOYSA-N 426.879 3.546 0 40 IHAB CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc4nsnc4c3)cc2Cl)CC1 59294188 AOBLWAMUXRTCNW-UHFFFAOYSA-N 443.960 3.902 0 40 IHAB COc1cc2c(cc1CNC(=O)Cn1cc(C(=O)C(C)C)c3ccccc31)OCCCO2 64987079 RMVLBBCHGBBMEG-UHFFFAOYSA-N 436.508 3.966 0 40 IHAB COc1ccccc1CN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)CC(C)(C)C)cc1 67896673 OKDOBWKZRDDPHJ-HYBUGGRVSA-N 440.540 3.531 0 40 IHAB biogenic,in-vitro O=C(Nc1ccncc1)c1cccc(CNC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)c1 72285497 BWEDEMICWWLYQU-GOSISDBHSA-N 448.910 3.657 0 40 IHAB CCOC(=O)C[C@H](OC(=O)c1ccc(NC(N)=O)cc1)c1cccc(Br)c1 72289694 YMGOWFVOAGEOTC-INIZCTEOSA-N 435.274 3.791 0 40 IHAB Cn1nccc1C(=O)N1CCC2(CC1)C[C@@]1(CO2)Nc2cc(Cl)ccc2-n2cccc21 72327352 PZPYBKNWQIZXNV-QHCPKHFHSA-N 437.931 3.580 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC(c3ccc(Nc4ccc(F)cn4)cn3)CC2)cc1 72374196 BTPHXVPJNCTUAO-UHFFFAOYSA-N 442.516 3.936 0 40 IHAB Cc1nnc(-c2cccc(C(=O)N3CCC(C(=O)NCc4ccc(C)c(F)c4)CC3)c2)o1 78903091 MHFDGSYAISCWMZ-UHFFFAOYSA-N 436.487 3.661 0 40 IHAB CC(C)([C@@H](NC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)c1ccc(F)c(F)c1)N1CCCC1 96011856 BWYSOYLODGAVTL-NQIIRXRSSA-N 433.543 3.645 0 40 IHAB COc1ccc(OC)c(-c2cc(C(=O)NC[C@@](C)(OC)c3ccccc3F)n(C)n2)c1 96123535 GTEWLSVKZBCPHB-HSZRJFAPSA-N 427.476 3.535 0 40 IHAB COc1ccccc1CNc1cnn(C23C[C@@H]4CC(C[C@H](C4)C2)[C@@H]3C(=O)O)c(=O)c1Cl 101278820 WJOCXUOKWOQEME-LWPJIHMKSA-N 443.931 3.753 0 40 IHAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)C1CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC1)C2 107325075 VBIMVPWQQQESTK-OHEPNIRZSA-N 440.556 3.697 0 40 IHAB CN(c1ccc(C(=O)Nc2ccc(Br)cc2F)c(Cl)c1)S(C)(=O)=O 222516206 WLRBNSRVFPHBGP-UHFFFAOYSA-N 435.702 3.890 0 40 IHAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1ccc(C)cc1 222537775 FFXWZRMIRMAOKX-XMMPIXPASA-N 434.511 3.899 0 40 IHAB COc1ccccc1CCCNC(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O 222635055 YGEQUPMJVUDEAN-UHFFFAOYSA-N 432.586 3.607 0 40 IHAB COc1ccc(CN(C(=O)Cc2ccccc2)[C@H](C)C(=O)NCc2ccccc2OC)cc1 222990930 ZVMLZNUVVMPYLC-HXUWFJFHSA-N 446.547 3.980 0 40 IHAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccccc1F 223128200 OTXDMXOFRIEHTE-HSZRJFAPSA-N 434.511 3.981 0 40 IHAB Cc1cccc([C@H](NC(=O)CN(Cc2ccccc2F)S(C)(=O)=O)c2ccccc2)c1 223226638 LSRNNUJATTUUER-XMMPIXPASA-N 440.540 3.802 0 40 IHAB CCOc1ccc(N([C@@H](C)C(=O)N[C@@H](CC)c2ccc(OC)c(C)c2)S(C)(=O)=O)cc1 223285930 GPSFYSKEVZCMCG-UWJYYQICSA-N 448.585 3.824 0 40 IHAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(OC)cc1 223586222 UADYIXWABWFARQ-QFIPXVFZSA-N 442.556 3.805 0 40 IHAB CN(Cc1nc(-c2cccc(Br)c2)no1)S(=O)(=O)Cc1ccc(F)cc1 223652394 FEVABBKVISHABT-UHFFFAOYSA-N 440.294 3.600 0 40 IHAB CC[C@H](C(=O)NCCOc1ccc(C)cc1C)N(c1cccc(Cl)c1)S(C)(=O)=O 224302042 AZQMTHGCYMVYQP-LJQANCHMSA-N 438.977 3.697 0 40 IHAB CS(=O)(=O)N(CC(=O)Nc1ccc(Br)c(Cl)c1)Cc1ccccc1 224432452 NHTIJBKALKFRFI-UHFFFAOYSA-N 431.739 3.503 0 40 IHAB CC[C@H](C(=O)Nc1ccc2c(c1)sc(=O)n2CC)N(c1cccc(C)c1)S(C)(=O)=O 225116349 UJNBIBWGADQKJR-QGZVFWFLSA-N 447.582 3.575 0 40 IHAB CC[C@@H](NC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O)c1ccc(OC)c(C)c1 225195796 DFPUFFBKAAYFIX-LJQANCHMSA-N 438.977 3.686 0 40 IHAB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN1C(=O)c2cccc3cccc1c23 225464362 AXQKGOKSAFHFHY-SFHVURJKSA-N 429.520 3.742 0 40 IHAB Cn1nc(-c2ccccc2)cc1C(=O)NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1 225755471 UZWJHDVTEPLOFM-UHFFFAOYSA-N 432.553 3.938 0 40 IHAB CCOC(=O)Cc1ccc(NC(=O)Cn2ccc(=O)c3cc(Br)ccc32)cc1 225919334 NUFNSLAWVRFHDG-UHFFFAOYSA-N 443.297 3.508 0 40 IHAB COCCOc1cccc(CN2CCC[C@H](c3n[nH]cc3C(=O)N3CCCCCC3)C2)c1 257206741 BESXGFYTMAEACI-NRFANRHFSA-N 440.588 3.831 0 40 IHAB O=C(Cc1c[nH]c2ccccc12)N1CCOC[C@@]2(C1)CN(c1cccc(Cl)c1)C(=O)O2 257281225 OOEVHOMBACUOMI-HSZRJFAPSA-N 439.899 3.618 0 40 IHAB COc1cccc(N(CCCC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)c1 260511637 RADZTBGZQGLPCU-FQEVSTJZSA-N 446.569 3.660 0 40 IHAB CC(C)Oc1cccc(N(CC(=O)N[C@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)c1 260941281 SHKPXRIFAXSFIB-QGZVFWFLSA-N 430.570 3.606 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 408618382 FYUWSZOGFMCMIZ-JTQLQIEISA-N 436.839 3.673 0 40 IHAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CC(=O)Nc3ccccc32)ccc1C 408629883 JREIBJIZKAGJSK-UHFFFAOYSA-N 435.505 3.703 0 40 IHAB CCOc1cc(/C=C2/NC(=O)N(CC)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 409228640 BWRUHPPPZDPKRE-GZTJUZNOSA-N 443.887 3.669 0 40 IHAB CCCOC(=O)c1cc(NC(=O)CSc2nnnn2-c2ccccc2)ccc1Cl 409412695 YKFSTVYSOJAPJG-UHFFFAOYSA-N 431.905 3.613 0 40 IHAB O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)NC[C@H]1C[C@H]2C=C[C@H]1C2 524735008 YOMHNEGCTHBVHV-MNFWLRKXSA-N 427.504 3.520 0 40 IHAB Cc1nc2ccccc2n1[C@@H]1CCN(C(=O)Cc2ccc(S(=O)(=O)C(C)C)cc2)C1 575414592 MRTWUYYZDMDBJK-LJQANCHMSA-N 425.554 3.543 0 40 IHAB C[C@@]1(c2ccc(-c3noc(-c4cccc5c6c([nH]c45)CCCC6)n3)cc2)NC(=O)NC1=O 577779330 OVBZKMIOQVBZQJ-DEOSSOPVSA-N 427.464 3.818 0 40 IHAB Cc1noc(C)c1CN1C[C@@]2(COCCN(Cc3cccc(C(F)(F)F)c3)C2)CC1=O 585103486 CKHZGAOVRIIFKR-OAQYLSRUSA-N 437.462 3.561 0 40 IHAB COCCC(=O)N1CCC2(CCCCc3ccccc3OC[C@H](CC(C)C)NC2=O)CC1 643580051 PCARVMFKLSMBOT-QFIPXVFZSA-N 444.616 3.968 0 40 IHAB CS(=O)(=O)N1CCC(c2nnc3sc(-c4ccc(-c5ccccc5)cc4)nn23)CC1 1501040426 QODJUYARDZWTJZ-UHFFFAOYSA-N 439.566 3.659 0 40 IHAB CC(=O)NC1(CC(=O)N2CCC(c3ccnc(Nc4nccs4)n3)CC2)CCCCC1 2037835835 BATYADDFIIGMMD-UHFFFAOYSA-N 442.589 3.612 0 40 IHAB CCc1cccc(C)c1NC(=O)CSc1nnc(CNC(=O)c2cccc(C)c2)n1C 687377 ZLNQGZUDOUCBBS-UHFFFAOYSA-N 437.569 3.655 0 40 IHAB CCN1C(=O)[C@@H](CC(=O)Nc2ccc(OC)cc2)N(Cc2ccc(Cl)cc2)C1=S 868477 PFPOWVBVPXGQOU-GOSISDBHSA-N 431.945 3.695 0 40 IHAB CC(C)[C@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2ccc(Cl)cc2)o1 2404178 RUYVAFFXZJWACZ-AWEZNQCLSA-N 429.926 3.919 0 40 IHAB CCN(CC(=O)Nc1ccc(OC)c(OC)c1)CC(=O)Nc1ccccc1C(F)(F)F 2651117 NQKPGVYOMVXPHA-UHFFFAOYSA-N 439.434 3.622 0 40 IHAB CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(C)cc2Br)C1=O 2726225 BBUNVMZBAJAAEQ-NRFANRHFSA-N 444.329 3.943 0 40 IHAB C[C@H]1CCC[C@H](C)N1C(=O)CSc1nc2ccccc2n1CC(=O)NC1CCCC1 4859109 ATARRUBNVODZFA-IRXDYDNUSA-N 428.602 3.977 0 40 IHAB COc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2cccnc2)N2NC=NC2=N3)c(OC)c1 8657485 NSMKBMROFDEPDB-ZEQRLZLVSA-N 439.475 3.903 0 40 IHAB Cn1c(SCC(=O)c2ccc(CNC(=O)C(C)(C)C)s2)nnc1-c1ccncc1 8704696 AGBCNMUISVPNMX-UHFFFAOYSA-N 429.571 3.576 0 40 IHAB CN(CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)Cc1ccc2ccccc2c1 8897050 AISPZKZYKLZHCQ-UHFFFAOYSA-N 437.565 3.695 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(C(=O)c2ccccc2)CC3)cc1F 8977474 HIZVUUFGQWNDSU-UHFFFAOYSA-N 440.496 3.834 0 40 IHAB CCN1CCc2c([nH]c3ccccc23)[C@H]1c1c(O)nc(O)n(-c2cc(C)cc(C)c2)c1=O 9041474 JLGWGMFMZNVPJY-JOCHJYFZSA-N 430.508 3.709 0 40 IHAB biogenic COc1cc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)cc(OC)c1OC 9476576 DYWVQQXQKIFSBT-QGZVFWFLSA-N 437.496 3.685 0 40 IHAB COc1cccc(C(=O)CSc2nnc([C@@H](NC(=O)c3ccccc3)C(C)C)n2C)c1 9582776 BWFJZUYEMDXSQL-FQEVSTJZSA-N 438.553 3.926 0 40 IHAB O=C(CCc1nc(-c2ccsc2)no1)Nc1ccc2nc(N3CCOCC3)sc2c1 9783170 OJAIIFJVPORJKC-UHFFFAOYSA-N 441.538 3.816 0 40 IHAB Cc1ccc(C(=O)N[C@@H](C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)C(C)C)cc1 10027802 YGDKTZUNFVKQEN-JOCHJYFZSA-N 436.556 3.562 0 40 IHAB O=C(CNc1ccccc1C(=O)NCc1ccccc1)Nc1ccc2c(c1)OCCCO2 10037682 XSPBGBOVUVVRCC-UHFFFAOYSA-N 431.492 3.829 0 40 IHAB CN(c1ccc(OCC(=O)Nc2ccc(F)c(F)c2)cc1)S(=O)(=O)c1cccs1 10491678 DWDRVCUNYMRPAD-UHFFFAOYSA-N 438.477 3.869 0 40 IHAB Cc1ccc(Oc2ccccc2NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1 10756103 WBFSYPWJGKTVMI-UHFFFAOYSA-N 444.443 3.809 0 40 IHAB COc1cccc(COc2coc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc2=O)c1 11963391 SZMVCDQODCOTMB-UHFFFAOYSA-N 448.519 3.622 0 40 IHAB COc1ccc(CC(=O)Nc2cc(C3CC3)nn2-c2nc(-c3ccccc3)cc(=O)[nH]2)cc1 12128830 MTWJHBCLGXKIEG-UHFFFAOYSA-N 441.491 3.690 0 40 IHAB Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccco2)cc1 12136952 SPZURNSBFLEUJA-UHFFFAOYSA-N 429.523 3.824 0 40 IHAB O=C(Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2F)cc1)NCc1ccncc1 12548506 VLXJFZMZEJRXET-UHFFFAOYSA-N 433.892 3.534 0 40 IHAB COc1ccc([C@@H](CNC(=O)CCC(=O)c2cc(C)sc2C)N2CCOCC2)cc1 12686606 KJNKOPYFXGONSV-OAQYLSRUSA-N 430.570 3.526 0 40 IHAB CCOc1ccccc1NC(=O)[C@@H](C)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 12731807 UZMAIMZPQCOPHX-QGZVFWFLSA-N 438.524 3.778 0 40 IHAB CCn1nnc2cc(C(=O)N(C)CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)ccc21 12986735 WRODXVSGVFDBGW-UHFFFAOYSA-N 439.825 3.834 0 40 IHAB CCS(=O)(=O)N1CCC(C(=O)Nc2nc(-c3c(C)[nH]c4ccccc34)cs2)CC1 12994580 QFYCGLMUXAJZCI-UHFFFAOYSA-N 432.571 3.600 0 40 IHAB NC(=O)C1CCN(Cn2nc(-c3ccc(Cl)cc3)n(Cc3ccccc3)c2=S)CC1 13063487 NELSPAZFAYBWRH-UHFFFAOYSA-N 441.988 3.938 0 40 IHAB CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N(C)Cc2c(F)cccc2Cl)C1=O 13129849 LYOOCPLGHJKLEG-QFIPXVFZSA-N 431.895 3.685 0 40 IHAB Cc1cc(C(F)(F)F)n2nc([C@H]3CCCN(C(=O)COc4cccc(F)c4)C3)cc2n1 13225525 GVBMUQYVQMAPSI-AWEZNQCLSA-N 436.409 3.981 0 40 IHAB C[C@@H](Oc1ccc(F)cc1)C(=O)NCCCn1nc(-c2ccc(Cl)cc2)ccc1=O 13801628 FUQOQZAOQZOXOY-OAHLLOKOSA-N 429.879 3.677 0 40 IHAB O=C(NC[C@@H](c1cccnc1)N1CCc2ccccc2C1)C(=O)Nc1ccccc1Cl 15882594 OLJPIJJQTKGIOK-QFIPXVFZSA-N 434.927 3.589 0 40 IHAB Cc1ccc(C(C)C)c(OCC(=O)N(Cc2ccc(F)cc2)[C@@H]2CCS(=O)(=O)C2)c1 16742194 GAEXQPAVMQMABH-HXUWFJFHSA-N 433.545 3.852 0 40 IHAB Cc1nc(CC(=O)N2CCC3(CC2)NC(=O)c2ccccc2N3)c(-c2ccccc2)s1 19240607 QCAXKKOGCFGABG-UHFFFAOYSA-N 432.549 3.835 0 40 IHAB CCNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CCCN(C(=O)Cc2cccnc2)C1 19528551 AAJXUWNADQXNSZ-MHZLTWQESA-N 442.563 3.674 0 40 IHAB CCNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CN(C(=O)C2CCCCC2)CCO1 19529235 JPNCIRUNERFJKM-SANMLTNESA-N 435.568 3.605 0 40 IHAB CSCC[C@H](NC(=O)c1csc2c1CCCC2)c1cc(=O)[nH]c(-c2ccccn2)n1 19573936 TWWJPUYANUVGIB-INIZCTEOSA-N 440.594 3.996 0 40 IHAB Cc1nc(C2CCN(C(=O)CCCn3c(C(C)C)nc4ccccc43)CC2)ncc1C(N)=O 19766607 AYMFVSNTJQRGCI-UHFFFAOYSA-N 448.571 3.543 0 40 IHAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H](NCCN1CCOCC1)c1ccccc1 22038152 QAFLTAQEIBOFBA-IBGZPJMESA-N 441.881 3.960 0 40 IHAB O=C(CSc1nc2sc3c(c2c(=O)[nH]1)CCCCC3)Nc1ccc(C(=O)O)cc1 22145634 IPRYTRJGABLULE-UHFFFAOYSA-N 429.523 3.683 0 40 IHAB C[C@@H](NC(=O)COc1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)c1ccc(F)cc1 22540826 WGVSYBOUDKRTBP-QGZVFWFLSA-N 442.512 3.907 0 40 IHAB CC[C@H](C)[C@H](CO)NC(=O)CCc1c(C)c2c(OC)cc3c(c2oc1=O)CCC(C)(C)O3 25077158 POLIAQSFAVJGDE-KSSFIOAISA-N 445.556 3.669 0 40 IHAB biogenic Cc1ccc(CN2C[C@@H](C(=O)OCC(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)cc1 28609412 ZMGJGFQLWKCVNI-INIZCTEOSA-N 434.414 3.544 0 40 IHAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2cc(C(C)(C)C)ccc2OC)C1=O 32859603 RBNSTFNVRCEQID-XMMPIXPASA-N 441.503 3.928 0 40 IHAB COc1cc(OC)c(C2=CCN([C@@H](C)C(=O)Nc3ccc(Cl)cn3)CC2)c(OC)c1 32860126 GEPGSWHZCPSJLR-AWEZNQCLSA-N 431.920 3.877 0 40 IHAB CC(=O)N1CCN(CC(=O)N2N=C(c3ccc4ccccc4c3)C[C@H]2c2ccccc2)CC1 35503987 CYPYKMBACRDNPI-SANMLTNESA-N 440.547 3.682 0 40 IHAB CC(=O)Nc1c(C)cccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc(F)cc2)nc1O 44803208 XOAOOJNSQHSVMC-LBPRGKRZSA-N 441.488 3.769 0 40 IHAB COc1cc(N2C(=O)C[C@H](c3ccccc3)c3sc(=O)n(C)c32)cc(OC)c1OC 49544921 HEWSYOQOAZMDMV-OAHLLOKOSA-N 426.494 3.673 0 40 IHAB Cc1cc([C@]2(C)NC(=O)N(CC(=O)N3CC[C@@H](C)Sc4ccccc43)C2=O)c(C)o1 58292451 UJBNAOANEDSKFI-PEBXRYMYSA-N 427.526 3.581 0 40 IHAB O=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CCc2[nH]c3ccccc3c2C1 61926936 GASVTSWJGSVING-UHFFFAOYSA-N 442.485 3.894 0 40 IHAB CCOC(=O)C1(Cc2cc(-c3ccccc3C)no2)CCN(C(=O)[C@@H]2CCCO2)CC1 72394005 SKVQTSLRWOQQTA-NRFANRHFSA-N 426.513 3.543 0 40 IHAB CCOC(=O)[C@]1(Cc2cc(-c3ccc(F)cc3)no2)CCCN(C(=O)c2cccnc2)C1 72394104 GDILLACNSHKXEA-DEOSSOPVSA-N 437.471 3.904 0 40 IHAB Cc1ccc2c(c1)C(=O)N(CCCC(=O)N1CC[C@H](Oc3ccccc3Cl)C1)C2=O 84207944 NAYFKTYHGSAHBE-INIZCTEOSA-N 426.900 3.705 0 40 IHAB COc1ccccc1CC(=O)N(C)[C@H]1CCCC[C@@H]1N(C)C(=O)Cc1ccccc1OC 89334941 QMCZCNXGXWOQOK-VXKWHMMOSA-N 438.568 3.717 0 40 IHAB COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)Nc2ccc(OC)c(C)c2)CC1 95456143 DRAXEXAZCMKWTK-HXUWFJFHSA-N 431.920 3.721 0 40 IHAB COc1ccc(F)cc1S(=O)(=O)N1CCN(c2nc(-c3ccsc3)cs2)CC1 96099910 QLOKKGVKRMGTKM-UHFFFAOYSA-N 439.559 3.530 0 40 IHAB CCOc1ccccc1NC(=O)CN1CCc2nc(NC(=O)c3ccsc3)sc2C1 96334124 IKOLVKCBXFKBFU-UHFFFAOYSA-N 442.566 3.852 0 40 IHAB CC(=O)N1CCc2nc3cc([C@H]4CCCCN4Cc4ccc(Cl)cc4)nn3c(O)c2C1 100242912 MQPLERUAJKMUAY-OAQYLSRUSA-N 439.947 3.720 0 40 IHAB COc1ccc([C@H]2c3sc(=O)[nH]c3S[C@@H]3C(=O)N(c4ccccc4C)C(=O)[C@H]32)cc1 100848428 NPQUKPDHVRHFME-RYRKJORJSA-N 438.530 3.549 0 40 IHAB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1)c1ccc(Cl)cc1 101154330 OMSTXPQIPSXPFQ-VUEDXXQZSA-N 435.863 3.691 0 40 IHAB C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)[C@H]1C[C@H]2CC[C@H]1C2 105763931 CLPRTTHDEGVWEL-LOUMEOBWSA-N 444.641 3.907 0 40 IHAB C[C@H](C(=O)NCCSCc1ccccc1Cl)N(c1cccc(F)c1)S(C)(=O)=O 220468750 NDIHAERYCWSEOF-CQSZACIVSA-N 444.981 3.683 0 40 IHAB CCSc1nnc(NC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)s1 223131704 IPTHEXDIPFKIHX-UHFFFAOYSA-N 440.597 3.789 0 40 IHAB CC[C@H](C(=O)NCCOc1ccccc1C(C)C)N(c1ccc(F)cc1)S(C)(=O)=O 223784169 VJOJUUMTBFTPJQ-HXUWFJFHSA-N 436.549 3.689 0 40 IHAB CCOc1ccccc1CNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 223961744 XMFHSYHLMYLHIZ-UHFFFAOYSA-N 428.485 3.955 0 40 IHAB CN(c1cccc(C(=O)NCCCN2CCc3ccccc32)c1)S(=O)(=O)c1ccccc1 224255964 MTHLDWLJYSSRCW-UHFFFAOYSA-N 449.576 3.694 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)N[C@@H](C)CCc1ccccc1 224392952 WJHWLQKYMNHQKA-IBGZPJMESA-N 444.597 3.550 0 40 IHAB Cc1ccc(-c2nnc(NS(=O)(=O)c3ccc(N4CCCC4=O)c(C)c3)s2)cc1 224497626 KAESVYQIEALVEF-UHFFFAOYSA-N 428.539 3.750 0 40 IHAB Cc1ccccc1OCCNC(=O)CCCN(c1ccc(Cl)cc1C)S(C)(=O)=O 224767879 MWWIQHHIJMFKIR-UHFFFAOYSA-N 438.977 3.698 0 40 IHAB COc1ccc(C2(C(=O)N3CC[C@@]4(C3)CN(c3ccccc3)C(=O)CO4)CCCC2)cc1 257228222 FSXAGOAHCWPUPR-RUZDIDTESA-N 434.536 3.542 0 40 IHAB COc1cccc(C(=O)N2CCNC(=O)[C@H]2Cc2cccc(-c3cccc(F)c3)c2)c1OC 257295807 QZYUNJDXLZOYSH-JOCHJYFZSA-N 448.494 3.693 0 40 IHAB COc1ncccc1NC(=O)c1nc([C@H]2CCCN2Cc2ccccn2)n2ccccc12 306126921 FJEOHNDLPYSUIQ-HXUWFJFHSA-N 428.496 3.722 0 40 IHAB Cc1cc(NC(=O)COC(=O)c2ccccc2C(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)no1 408665997 NAUDPJYONUHYNP-XAUMDUMWSA-N 442.512 4.396 0 40 IHAB CCNS(=O)(=O)c1cc(C(=O)NCc2ccc(Cl)cc2Cl)ccc1OCC 408696845 FGNPCKUJSUWTDD-UHFFFAOYSA-N 431.341 3.620 0 40 IHAB O=C(NCc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 408710231 UBFULEZLGDKQMZ-UHFFFAOYSA-N 435.911 3.567 0 40 IHAB CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCC(=O)N[C@@H](C)c1ccccc1 409062211 PWSCVNMNMUDDOL-KRWDZBQOSA-N 437.569 3.506 0 40 IHAB C[C@@]1(O)CCN(Cc2ccc3c(c2)OCO3)[C@@H](c2cccs2)[C@@H]1NC(=O)C1CCCC1 514290340 XWICMILKOZMWRW-WPFOTENUSA-N 442.581 3.850 0 40 IHAB biogenic,in-vitro Cc1nn(C)c2ncc(NC(=O)[C@H](c3ccc(Cl)cc3Cl)N3CCOCC3)cc12 608002206 CJDHQYBELGMJNK-SFHVURJKSA-N 434.327 3.596 0 40 IHAB COc1ccc2ncc(C(=O)N3CCC(c4nc(-c5ccccc5OC)cs4)CC3)n2n1 1615055348 LDSDXAMYORMZOM-UHFFFAOYSA-N 449.536 3.890 0 40 IHAB O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)NCc1ccccc1Cl 983566 BLNOFSNZSHLINR-UHFFFAOYSA-N 444.940 3.514 0 40 IHAB O=C(NCc1ccccc1)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCC1 1335843 TUHXTCAKWQSLSS-UHFFFAOYSA-N 433.508 3.954 0 40 IHAB COC(=O)[C@H](Cc1ccc(OC(=O)c2ccccc2C)cc1)N1Cc2ccccc2C1=O 1383737 IYNYDRQKADRTKE-QHCPKHFHSA-N 429.472 3.954 0 40 IHAB COc1ccc(-n2ncc(N3CCN(c4cccc(Cl)c4)CC3)c(Cl)c2=O)cc1 1404473 VMVTVIZTGLSDMO-UHFFFAOYSA-N 431.323 3.875 0 40 IHAB CCCCCCOc1ccc(/C=C/C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1OC 1771564 WCCVHQMEPPESMB-RIYZIHGNSA-N 432.542 3.954 0 40 IHAB CCN1CCN(C(=O)c2cccc(S(=O)(=O)Nc3cc(Cl)ccc3Cl)c2)CC1 3217435 BPMFOLNSVZHBBU-UHFFFAOYSA-N 442.368 3.572 0 40 IHAB COc1cc2ccccc2cc1C(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 3300550 XNZBVNLNGRPSOB-UHFFFAOYSA-N 438.505 3.683 0 40 IHAB CCCCC(=O)NC(=S)Nc1ccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1 5946082 QIASXKUGUDAYEN-UHFFFAOYSA-N 438.597 3.961 0 40 IHAB COc1cc(CNCC(C)C)c(Br)cc1OCC(=O)NCc1ccccc1 8437952 ZMKXCIXCZHZAII-UHFFFAOYSA-N 435.362 3.899 0 40 IHAB COc1ccc(-c2cc(=O)oc3c(C)c(OCC(=O)NCc4ccncc4)ccc23)cc1 8789957 OFCBORQFFQLNDX-UHFFFAOYSA-N 430.460 3.867 0 40 IHAB biogenic COc1c(Cl)cc(C(=O)N(Cc2cccc(F)c2)[C@@H]2CCS(=O)(=O)C2)cc1Cl 8867995 VSGYWYJWWCYDQU-OAHLLOKOSA-N 446.327 3.971 0 40 IHAB CN(CC(=O)Nc1ccccc1C(=O)c1ccccc1)Cc1ccccc1N1CCOCC1 8898133 SFHJPCPNFSDMHL-UHFFFAOYSA-N 443.547 3.825 0 40 IHAB CCCc1nnc2n1N[C@@H](c1ccc(OC)cc1)[C@H](C(=O)Nc1ccccc1F)S2 9239105 VUZHNTIDJBJOQP-RBUKOAKNSA-N 427.505 3.776 0 40 IHAB O=C(CSc1nnc2ccc(-c3ccncc3)nn12)Nc1ccc(Br)cc1 9241442 LULHQVXFCKXCHI-UHFFFAOYSA-N 441.314 3.680 0 40 IHAB COc1ccc([C@@H]2CC(c3ccc(NS(C)(=O)=O)cc3)=NN2C(=O)c2ccco2)cc1 9392134 LXFOPSABEXNBLJ-FQEVSTJZSA-N 439.493 3.651 0 40 IHAB Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)c2cncn2-c2ccccc2)c1C 9463356 WFQPPLZFGTYBQL-NRFANRHFSA-N 432.524 3.749 0 40 IHAB CCOc1ccc2nc(NC(=O)CSc3nnc(-c4cccc(F)c4)n3N)sc2c1 9466057 NPTOQPZLQFLNBS-UHFFFAOYSA-N 444.517 3.537 0 40 IHAB O=C(CSc1nc2c(c(=O)n1-c1cccc(C(F)(F)F)c1)SCC2)N1CCCC1 9602811 DKQGOMCGNDCIMM-UHFFFAOYSA-N 441.500 3.614 0 40 IHAB COc1ccc(C(=O)N2N=C(c3cccc(NS(C)(=O)=O)c3)C[C@@H]2c2ccco2)cc1 9673770 PEELCYXAXVUDJM-HXUWFJFHSA-N 439.493 3.651 0 40 IHAB Cc1ccc(S(=O)(=O)NC[C@H](c2cccs2)S(=O)(=O)c2ccc(F)cc2)cc1 9742350 TYTNKKMQDGZUTL-LJQANCHMSA-N 439.555 3.689 0 40 IHAB O=C(NCCn1ncc2c(=O)n(Cc3ccccc3)cnc21)c1ccc(-c2ccccc2)cc1 9822507 UNDCKNUXECNAHH-UHFFFAOYSA-N 449.514 3.738 0 40 IHAB CCOc1ccc(NC(=O)C2CCN(S(=O)(=O)CCCc3ccccc3)CC2)cc1 10008663 TYWGYGXZRVYPLV-UHFFFAOYSA-N 430.570 3.698 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc4c(s3)C[C@@H](C)CC4)CC2)cc1 10337554 QRVYTSUVCUAAGT-HNNXBMFYSA-N 433.599 3.616 0 40 IHAB CCOCCCn1c(SCC(=O)Nc2ccc(F)cc2F)nc2ccccc2c1=O 10785980 PEOPHBDIKNQMJP-UHFFFAOYSA-N 433.480 3.832 0 40 IHAB O=C(c1ccccc1)c1ccccc1C(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1 11163677 QYHYBLGGBYOXPF-UHFFFAOYSA-N 448.544 3.501 0 40 IHAB CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(SCC)s2)cc1 11617392 USTOMXPEBOFZHI-UHFFFAOYSA-N 428.605 3.713 0 40 IHAB O=C(Cc1cccc2ccccc12)Nn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O 11665767 JCOFPXMXGGSDQA-UHFFFAOYSA-N 429.867 3.702 0 40 IHAB COc1ccccc1N1C[C@H](c2nc3ccccc3n2CC(=O)N2CCCCC2)CC1=O 12062134 MFCCGQVOSMJMTP-GOSISDBHSA-N 432.524 3.578 0 40 IHAB CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCCCC3)c3ccncc23)cc1 12509648 MVWHXTLEBCVSDD-UHFFFAOYSA-N 438.553 3.776 0 40 IHAB O=C(NCCCN1CCCCC1)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 12581410 WCWMUZPMKRHLEE-UHFFFAOYSA-N 435.977 3.747 0 40 IHAB CN(CC(=O)Nc1cccc(F)c1)CC(=O)Nc1nc(-c2cc(F)ccc2F)cs1 12797195 VYMVVEWAOCPJTM-UHFFFAOYSA-N 434.443 3.736 0 40 IHAB COc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)OCC(=O)N(C)C)cc1OC 12802034 CUZLBAZLOSHESZ-GHRIWEEISA-N 446.503 3.984 0 40 IHAB O=C(COc1ccc(F)cc1F)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 12818305 KVHXYCSOGBUMTJ-UHFFFAOYSA-N 444.887 3.810 0 40 IHAB Cc1c(C(=O)NCCN2C(=O)S/C(=C\c3ccc(Cl)cc3Cl)C2=O)cnn1C 12850971 CTGGRARHMYOPTM-CHHVJCJISA-N 439.324 3.502 0 40 IHAB CC1(C)Cc2c(c(N3CCOCC3)nc3sc(-c4cc(C(=O)O)co4)c(N)c23)CO1 13483259 TZRFXTYXWUVQQE-UHFFFAOYSA-N 429.498 3.525 0 40 IHAB COc1ccc(C(=O)n2nc(-c3cccnc3)nc2NCc2ccc(OC)c(OC)c2)cc1 13570035 SJGFYGOOUVGXPD-UHFFFAOYSA-N 445.479 3.667 0 40 IHAB C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(Cc2csc(-c3cccs3)n2)C1=O 14184879 MELJBYPLHMQECL-HXUWFJFHSA-N 427.507 3.610 0 40 IHAB COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)COc2ccccc2F)cc1 15437356 CSBKBDMUUVYLTH-UHFFFAOYSA-N 430.457 3.653 0 40 IHAB COc1ccc(OC)c2sc(N3CCN(C(=O)CSc4ccccc4)CC3)nc12 15882430 HXZBKRKCILTIFW-UHFFFAOYSA-N 429.567 3.754 0 40 IHAB CCOC(=O)C1=C(COC(=O)Cc2coc3cc(C)ccc23)NC(=O)N[C@H]1c1ccccc1 16045532 CCUGYJWQKNDSOS-QHCPKHFHSA-N 448.475 3.698 0 40 IHAB COc1ccc(OC)c(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)c1 16188838 FCHFGWUWQJFKRE-UHFFFAOYSA-N 426.494 3.781 0 40 IHAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc4sccc4c3)cc2)C[C@@H](C)O1 17247223 VKGIXEGBGZJLPA-GASCZTMLSA-N 430.551 3.952 0 40 IHAB CC(C)(C)Nc1c(C2CCN(C(=O)COc3ccccc3F)CC2)nc2cnccn12 19083148 LZPORNDQAOFVQC-UHFFFAOYSA-N 425.508 3.864 0 40 IHAB Cc1cnccc1-c1cnc(N(C)C)nc1[C@@H]1CCCN1C(=O)c1ccc(N(C)C)cc1 19239851 TXPIIYFEURWDPX-QFIPXVFZSA-N 430.556 3.956 0 40 IHAB C[C@H]1C[C@@H]1C(=O)N1CCC(c2cc3nc4c(c(O)n3n2)CN(C[C@H]2CC=CCC2)CC4)CC1 19462900 HKGCNPDTZSDSCW-BJLQDIEVSA-N 449.599 3.511 0 40 IHAB CCn1cc(CN2CCC(C[C@H]3CC(c4ccc(F)cc4)=NO3)(C(=O)O)CC2)c(C)n1 19524513 PHCDGRBZHQSPBF-HXUWFJFHSA-N 428.508 3.601 0 40 IHAB CCNC(=O)[C@@]1(Cc2ccc(-c3cccc(C)c3)cc2)CN(C(=O)c2ccncc2)CCO1 19529304 FMQZWAVKKWQSBV-HHHXNRCGSA-N 443.547 3.647 0 40 IHAB Cc1ncncc1C(=O)N1CCc2nc(-c3ccncc3)nc(Nc3cccc(F)c3)c2C1 19552986 YLKQXQRBTCEETJ-UHFFFAOYSA-N 441.470 3.718 0 40 IHAB CC(=O)Nc1cc(C)c(S(=O)(=O)N2CCC[C@@H](c3cc4ncccc4[nH]3)C2)cc1C 19567428 ZNJISDOQCITNFU-QGZVFWFLSA-N 426.542 3.706 0 40 IHAB COc1ccccc1C(=O)N1CCC([C@H]2C[C@H](C(=O)Nc3ccc(F)cc3)CN2C)CC1 19587601 QBFQERIOPRLFFW-PGRDOPGGSA-N 439.531 3.646 0 40 IHAB O=S(=O)(C1CCCC1)N1CCO[C@@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 19693347 JGFNSOUBRLXEKB-QGZVFWFLSA-N 441.475 3.808 0 40 IHAB CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@@H]2CCCN(C(=O)C3CCCCC3)C2)n1 19694493 LZXLBBZXTQZJAY-HXUWFJFHSA-N 435.572 3.595 0 40 IHAB CN(C)c1ncc(-c2ccccc2F)c([C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)n1 19694503 HWFKQWAMERDZDV-QGZVFWFLSA-N 440.544 3.917 0 40 IHAB NC(=O)c1sc2ncccc2c1[C@H]1CCN(C(=O)CCCN2Cc3ccccc3C2)C1 19702474 BFFNUHLYLSBHIG-SFHVURJKSA-N 434.565 3.507 0 40 IHAB COc1cccc2cc(CN(C)Cc3cc(N(C)C)nc([C@H]4CCCN4C(C)=O)n3)oc12 19760307 RJHZPGXZJFHEDH-HXUWFJFHSA-N 437.544 3.613 0 40 IHAB CCc1ccc(C2=NN(C(=O)Cc3ccc(OC)c(OC)c3)[C@@](O)(C(F)(F)F)C2)cc1 20035435 KDWKDHXFHGZXBU-NRFANRHFSA-N 436.430 3.696 0 40 IHAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc(-c3ccc(N4CCCC4)nn3)cc2)c1 20554914 XBUWNCHKDGICBH-UHFFFAOYSA-N 440.525 3.562 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccc2c(c1)OCCCO2 21256459 MMVRTRLAXJPEJD-UHFFFAOYSA-N 448.541 3.529 0 40 IHAB Cn1ncc2c(SCC(=O)N3CCc4sccc4[C@@H]3c3cccs3)ncnc21 21754991 QVWPMOXWGXWYMO-QGZVFWFLSA-N 427.580 3.753 0 40 IHAB Cc1ccc(CN(c2ccc(OCC(=O)N3CCC(C)CC3)cc2)S(C)(=O)=O)cc1 22231777 MZYAPSLCMFOGHD-UHFFFAOYSA-N 430.570 3.599 0 40 IHAB Cc1ccc(C)c([C@@H](C)NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)c1 22331496 CKFWRXQTHMTPOC-OAHLLOKOSA-N 439.375 3.709 0 40 IHAB CC[C@H](NC(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O)c1ccc(C)cc1C 22336132 MPJSQRIHFVWVSJ-SFHVURJKSA-N 438.977 3.999 0 40 IHAB CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Nc1ccc(NC(=O)CN2CCOCC2)cc1 22421293 SBKNQBVGMFPASY-MOPGFXCFSA-N 438.572 3.910 0 40 IHAB COc1ccccc1[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 22459842 IZJDGCYRAWCPLA-HOTGVXAUSA-N 436.961 3.627 0 40 IHAB CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)Sc1nnc(Cc2ccccc2)o1 23934187 CTHVTKHKJZVPKY-INIZCTEOSA-N 438.553 3.801 0 40 IHAB COc1c(Cl)cc(C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)cc1Cl 24260088 CIGRWPLRTIENMC-UHFFFAOYSA-N 438.311 3.525 0 40 IHAB COCCn1c(SCC(=O)N(C)C2=CCCC2)nc2sc3c(c2c1=O)CCCC3 24988719 FMFHAPZBLJEERC-UHFFFAOYSA-N 433.599 3.602 0 40 IHAB CN(C)C(=O)[C@@H]1CCCN1CC(=O)N(Cc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 27566722 FUPIHVNYRVTANJ-GKWUYRECSA-N 441.591 3.676 0 40 IHAB CCOCCCNC(=O)c1c(NC(=O)[C@@H]2COc3ccccc3O2)sc2c1CCCC2 27663493 SEMXQLUANSRNGD-SFHVURJKSA-N 444.553 3.562 0 40 IHAB Cc1cc(-n2c(C)cc(C(=O)CN3CCC(C(=O)NCc4ccccc4)CC3)c2C)no1 29192229 ULCYXIIGOMULSN-UHFFFAOYSA-N 434.540 3.602 0 40 IHAB Cc1cc2nnc(S[C@H](C)C(=O)c3ccc(NS(C)(=O)=O)cc3)n2c2ccccc12 32671970 XJFSHTPUDKNLOS-CQSZACIVSA-N 440.550 3.926 0 40 IHAB CN1CCN(C(=O)Cc2csc(COc3ccc(F)cc3)n2)[C@@H](c2ccccc2)C1 32893037 XELPHELZFINZME-OAQYLSRUSA-N 425.529 3.919 0 40 IHAB CC(=O)c1cccc(NC(=O)CSc2nc(O)c3c(n2)CCN(Cc2ccccc2)C3)c1 33028768 VPNYVHRHEVVKAF-UHFFFAOYSA-N 448.548 3.674 0 40 IHAB COc1cccc(-n2c(SCC(=O)NCc3ccccc3)nnc2-c2ccccn2)c1 35289522 UXHNXLCQSMRLFG-UHFFFAOYSA-N 431.521 3.746 0 40 IHAB Cc1cc(C(=O)N2CCN(Cc3cccs3)CC2)c2cnn(-c3ccccc3F)c2n1 36616354 DFTORTAMWIVEQP-UHFFFAOYSA-N 435.528 3.888 0 40 IHAB O=C(NCc1ccc(CN2CCOCC2)cc1)C1CCN(Cc2cccc(Cl)c2)CC1 38831283 ZYLPSFAXQKRERB-UHFFFAOYSA-N 442.003 3.701 0 40 IHAB Cc1ccc(N2C[C@H](C(=O)N3CCC(c4nnc(-c5ccco5)s4)CC3)CC2=O)cc1 49363041 XMSKBVZJPYRORE-QGZVFWFLSA-N 436.537 3.866 0 40 IHAB Cc1ccc([C@@H](CN2CCOCC2)NCC(=O)NCCSc2ccc(Cl)cc2)cc1 49605849 FPULPKBIZYTKSQ-JOCHJYFZSA-N 448.032 3.520 0 40 IHAB COc1ccc(CCNC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1OC 57974437 IWCPGWSFWQAFCF-UHFFFAOYSA-N 430.810 3.673 0 40 IHAB O=S(=O)(N[C@H]1CCCC[C@@H]1N1CCN(c2cccc(Cl)c2)CC1)c1ccccc1 58085768 MBKJPVCOWJBZMX-VXKWHMMOSA-N 434.005 3.752 0 40 IHAB O=C(Nc1cccnc1Oc1ccccc1)N1CCN(CCCOCC(F)(F)F)CC1 58112200 GVAVBUOAFRYOKV-UHFFFAOYSA-N 438.450 3.992 0 40 IHAB CN(CCCc1cc(-c2ccccc2)no1)C(=O)Cn1cnc2c(oc3ccccc32)c1=O 58174519 KCZGZPDLXITNHP-UHFFFAOYSA-N 442.475 3.889 0 40 IHAB CS(=O)(=O)N1CCCN(c2nc(C3CC3)nc3scc(-c4ccccc4)c23)CC1 58438195 FXIPBJNSEUVTIH-UHFFFAOYSA-N 428.583 3.707 0 40 IHAB O=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2oc3ccccc3c21)Nc1ccccc1 67292006 LZJBIOAQNRSCNH-UHFFFAOYSA-N 439.471 3.791 0 40 IHAB C[C@@H]1Cc2ccccc2N1C(=O)CN1CCC(n2c(=O)oc3ccc(Cl)cc32)CC1 72347891 QVWQRFUSMJUCPI-OAHLLOKOSA-N 425.916 3.863 0 40 IHAB CCOc1ccccc1C(=O)N1CCN(C)C(=O)[C@@H]1Cc1cccc(-c2cccnc2)c1 72351731 TUHMKLLONPNMAZ-QHCPKHFHSA-N 429.520 3.673 0 40 IHAB Cc1noc(C)c1S(=O)(=O)N1CCCC[C@H]1c1nc(N)ncc1-c1cccc(Cl)c1 72377234 PKRPZWKZOZJUEG-KRWDZBQOSA-N 447.948 3.900 0 40 IHAB COc1ccc2c(c1)CN(Cc1ccc(OC)c(OC)c1)C[C@@]1(CCCN(C)CC1)O2 72394510 LPGWNTNZTQVDLU-VWLOTQADSA-N 426.557 3.962 0 40 IHAB Cc1ccc2c(c1)C(=O)N(CCC(=O)NC1(c3ccc(Br)cc3)CCC1)C2=O 84207898 QBRMGAIBPQORQA-UHFFFAOYSA-N 441.325 3.939 0 40 IHAB CC(C)(C)OC(=O)N1CCc2ccccc2[C@H]1C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 89662324 BLBCPFQBRMRXIS-ICSRJNTNSA-N 426.517 3.535 0 40 IHAB CCOC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N(CC)C(=O)c1ccc(CNC(C)=O)o1 89960808 MUIDLRUEUWMUDF-GOSISDBHSA-N 441.311 3.989 0 40 IHAB CC(C)([C@H](NC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)c1ccc(F)c(F)c1)N1CCCC1 96011857 BWYSOYLODGAVTL-GHTZIAJQSA-N 433.543 3.645 0 40 IHAB CN(C)c1cnnc(N2CCN(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)c1 96098679 WKIDGPJTIAKXOZ-UHFFFAOYSA-N 428.846 3.569 0 40 IHAB Cc1nc(-c2nc(C(=O)NCCc3cccnc3)c3ccccn23)cn1Cc1ccccc1 96155169 KRMJCIRVKYHJEL-UHFFFAOYSA-N 436.519 3.922 0 40 IHAB CC(C)N1CCC(c2cc(O)n3nc([C@H]4CCCN4C(=O)C4CCCC4)cc3n2)CC1 100232802 SXNZEQUNSMISTQ-OAQYLSRUSA-N 425.577 3.876 0 40 IHAB N[C@@H](C(=O)NC[C@H]1CC[C@H](c2ccnc(Nc3ccc(F)cn3)n2)CC1)c1ccccc1 100708859 DCLRZWISRJFEIB-HYFFOGBASA-N 434.519 3.844 0 40 IHAB COc1ccc(-c2noc([C@@H]3[C@@H]4CC[C@H](C4)N3S(=O)(=O)c3ccccc3)n2)cc1OC 100731815 PJIMSUVWZFDBET-KKVAFCGZSA-N 441.509 3.668 0 40 IHAB O=C(NCc1ccccc1)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CCC2 102339375 YSXAHZNACLAKRF-SAKMYQHLSA-N 436.533 3.628 0 40 IHAB Cc1ccc(-c2nnc(O)c3c2[C@H](c2cccc(Br)c2)n2nnnc2N3)cc1 111999965 HRKLVEODJRMOAM-KRWDZBQOSA-N 436.273 3.601 0 40 IHAB COc1ccc(Br)c(C(=O)N[C@@H]2CCN(c3ccc(C(F)(F)F)cn3)C2)c1 206786689 LHIGVEVTETVNGD-GFCCVEGCSA-N 444.251 3.880 0 40 IHAB CC[C@@H](C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)N(c1ccc(F)cc1)S(C)(=O)=O 219114511 OPZVUHJPMXORFQ-MOPGFXCFSA-N 434.533 3.789 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)c(C)c1 219703976 JPMZJPDQFBEGKZ-UHFFFAOYSA-N 440.521 3.584 0 40 IHAB CCOc1ccccc1NC(=O)[C@H](CC)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 220755530 XJZMEIZOBCEWRM-INIZCTEOSA-N 440.949 3.931 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CCCN(c2cc(C)cc(C)c2)S(C)(=O)=O)c(C)c1 222574030 MRUOGXPEQSSEIV-UHFFFAOYSA-N 446.569 3.973 0 40 IHAB O=C(Nc1nnc(S(=O)(=O)Nc2ccc(F)cc2F)s1)c1ccc(Cl)cc1 222911417 MWVGSEMPLLCFPL-UHFFFAOYSA-N 430.845 3.523 0 40 IHAB C[C@@H](NC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 222986031 XAQDOHSIRSRVSL-HUUCEWRRSA-N 436.524 3.876 0 40 IHAB CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccc(CC)cc1 223021649 BDJKPBBEBJYXJX-INIZCTEOSA-N 447.373 3.944 0 40 IHAB CC[C@@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccc(C)cc2O1)c1ccc2c(c1)CCCC2 223100740 MSKFXMYKZKAOCT-OFNKIYASSA-N 442.581 3.668 0 40 IHAB CCCSc1nnc(NC(=O)[C@@H](CC)N(c2cc(C)cc(C)c2)S(C)(=O)=O)s1 223278345 XSFJJBNZXCRDMU-OAHLLOKOSA-N 442.632 3.840 0 40 IHAB CSc1nnc(NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)s1 223841702 KCPHAXIXPWBGAX-UHFFFAOYSA-N 448.595 3.711 0 40 IHAB CN(CC(=O)NCCSCc1c(Cl)cccc1Cl)S(=O)(=O)c1ccccc1 223986809 SFUHDVVDDHBFHJ-UHFFFAOYSA-N 447.409 3.664 0 40 IHAB COc1ccc(CNC(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3)c2)c(OC)c1 224078748 LOLMPCJYFSJEIZ-UHFFFAOYSA-N 440.521 3.743 0 40 IHAB Cc1ccc(-c2nnc(NC(=O)CN(c3ccccc3Cl)S(C)(=O)=O)s2)cc1 224899663 LFXGRYIKSAJMTR-UHFFFAOYSA-N 436.946 3.572 0 40 IHAB CC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(OC)c(C)c1 225475929 RDSUKQJRUDTBKB-OAQYLSRUSA-N 430.570 3.672 0 40 IHAB CC(C)c1cc(C(=O)N2CCN(C)C(=O)[C@@H]2Cc2ccccc2-c2ccc(F)cc2)[nH]n1 257228502 FUCZKHTVDWZWPM-QHCPKHFHSA-N 434.515 3.865 0 40 IHAB CC(C)CC(=O)N1CCC[C@@](COc2ccc(Cl)cc2)(CC(=O)N2CCOCC2)C1 257270602 MUWSYDMVIZPYRD-HSZRJFAPSA-N 436.980 3.623 0 40 IHAB CNc1nc([C@@H]2CCN(C(=O)c3ccccc3-c3ccccc3)C2)nc2c1CCN(C)C2 257321269 WAWZXEVWGPYEID-LJQANCHMSA-N 427.552 3.803 0 40 IHAB CS(=O)(=O)c1cn[nH]c1C[C@H]1CCCN(Cc2ccccc2OCc2ccccc2)C1 257327466 XBLMBSSRKFJZJK-HXUWFJFHSA-N 439.581 3.847 0 40 IHAB Cc1nc(-c2ccc(S(=O)(=O)N3[C@H]4CC[C@H]3CC(Oc3cccnc3)C4)cc2)co1 390830992 OWGFOPHVBVMTGN-ROUUACIJSA-N 425.510 3.808 0 40 IHAB COc1ccc(C)cc1NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 408536109 YEAJNPZQKBVMIE-UHFFFAOYSA-N 444.484 3.961 0 40 IHAB O=C(O)CC[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2cccc(Br)c2)CC1 408611585 UBMKIDMTIIAIGO-LJQANCHMSA-N 449.320 3.952 0 40 IHAB CSc1ccccc1NC(=O)COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 408618390 GAKUAMZRMSYCNC-UHFFFAOYSA-N 434.583 3.847 0 40 IHAB CS(=O)(=O)N(CCc1ccccc1)CC(=O)Nc1ccc(Cl)cc1C(F)(F)F 408620780 MAIBEANGONPGPP-UHFFFAOYSA-N 434.867 3.802 0 40 IHAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)OCC(=O)Nc2cc(C)ccc2C)CC1=O 408647045 SAYNTXPGAUMYOU-HNNXBMFYSA-N 430.888 3.500 0 40 IHAB CCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccccc2Cl)cc1 408661057 CUECWWHLBCTSBY-UHFFFAOYSA-N 446.887 3.807 0 40 IHAB COC(=O)c1ccc(Cl)c(NC(=O)CCCN(c2cccc(C)c2)S(C)(=O)=O)c1 408694120 BXSNBJNPGSQZAJ-UHFFFAOYSA-N 438.933 3.620 0 40 IHAB Cc1ccccc1CN(c1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1)S(C)(=O)=O 409165922 AXXMJMCNJXPMMK-UHFFFAOYSA-N 438.505 3.942 0 40 IHAB CCOc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc(Cl)c1OCC(=O)O 409229392 OLLFVBXSVMJCFY-RQZCQDPDSA-N 444.871 3.603 0 40 IHAB COc1ccc2[nH]cc(CCNC(=O)NCc3ccc(C(=O)N4CCCCC4)cc3)c2c1 603523328 GZLXNPXRXCVCLC-UHFFFAOYSA-N 434.540 3.845 0 40 IHAB O=C(CCC(=O)N1CCOc2cc(F)ccc21)c1ccc(I)cc1 609822661 RDZDANURYPMXIR-UHFFFAOYSA-N 439.224 3.819 0 40 IHAB Cc1cc(CNC(=O)CN2CCCCCOc3ccccc3Oc3ncccc3C2)n[nH]1 643575962 UGXBASIHXSBNFK-UHFFFAOYSA-N 435.528 3.587 0 40 IHAB CN1CCC(CNC(=O)c2ccc3c(c2)Cc2cccc(c2)C(=O)NCCCCCO3)CC1 643579410 XISPZURTDJORGF-UHFFFAOYSA-N 449.595 3.642 0 40 IHAB CC(=O)N1CCN(C(=O)c2ccccc2Cn2cccn2)[C@@H](c2ccc(OC(C)C)cc2)C1 2037814196 WAXXCXNQWXXTBC-RUZDIDTESA-N 446.551 3.764 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(O)cc3)n2CC)cc1 650805 IWNLUFKNDBCDJO-UHFFFAOYSA-N 426.498 3.578 0 40 IHAB COc1cccc([C@H]2c3cc(OC)c(OC)c(OC)c3CCN2C(=O)C(F)(F)F)c1 692264 NPOCMNYZPUXYBS-KRWDZBQOSA-N 425.403 3.757 0 40 IHAB CCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(OCc2ccc(F)cc2)c(OC)c1 724941 ISBSHOKNWSDNGA-NRFANRHFSA-N 438.459 3.857 0 40 IHAB CSC[C@H](NC(=O)Cc1c(C)c2cc3c(C(C)(C)C)coc3cc2oc1=O)C(=O)O 2125938 CYSXQTKDKGUAOR-INIZCTEOSA-N 431.510 3.620 0 40 IHAB biogenic Cc1cc(O[C@H](C)C(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc(C)c1Cl 2355625 VPAWLTJPTXDTBZ-IEBWSBKVSA-N 435.973 3.940 0 40 IHAB COCCCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 2637442 XZAMGESKAPXBIH-UHFFFAOYSA-N 431.341 3.659 0 40 IHAB CC(C)c1ccc(NC(=O)COC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)cc1 2656425 VOXFJMYRQXUCRJ-UHFFFAOYSA-N 438.933 3.509 0 40 IHAB Cc1ccc(C)c(C(=O)COC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c1 3522192 RSFWZXXEXCOZNY-UHFFFAOYSA-N 429.538 3.826 0 40 IHAB O=C(Nc1ccccc1Oc1ccccc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 3551873 WTDTVWZOBOCCAX-UHFFFAOYSA-N 438.505 3.752 0 40 IHAB Cc1ccc(S(=O)(=O)NC(=O)Nc2ncc(C(F)(F)F)cc2C(F)(F)F)cc1 4110316 BNRASYQZKCNWOD-UHFFFAOYSA-N 427.326 3.938 0 40 IHAB C[C@@H](Oc1ccccc1C(=O)NCc1ccccc1)C(=O)Nc1ccc2c(c1)OCCO2 8757367 LPBZMSWRZHLHHI-QGZVFWFLSA-N 432.476 3.794 0 40 IHAB O=C1N[C@@]2(CCCc3sccc32)C(=O)N1Cc1cc2c(cc1Br)OCO2 8768378 LAGDOEWDLMSGQX-GOSISDBHSA-N 435.299 3.523 0 40 IHAB COc1ccc(CN2C(=O)[C@](O)([C@@H](C)C(=O)c3ccccc3)c3ccccc32)cc1OC 8919037 RWASCRWLVRICNW-QLXKLKPCSA-N 431.488 3.957 0 40 IHAB O=C1O[C@@H](N2C(=O)CC[C@H]2C(=O)Nc2ccc(Br)cc2Cl)c2ccccc21 9034055 SEYAJDQTKZROJA-MAUKXSAKSA-N 449.688 3.901 0 40 IHAB biogenic O=S(=O)(Nc1cc2c(cc1Br)OCCO2)c1cccc(Br)c1 9255563 DVAQWAXRYCDBOL-UHFFFAOYSA-N 449.120 3.784 0 40 IHAB CCn1c(-c2ccco2)nn(CN(C)CC(=O)Nc2ccc(F)c(F)c2F)c1=S 9283309 ZBYRBZAWFRQHLF-UHFFFAOYSA-N 425.436 3.639 0 40 IHAB O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2[C@H]2CCCN12 9487134 DURIVYJWBKVZRM-MKXGPGLRSA-N 429.303 3.829 0 40 IHAB Cc1ccc(NC(=O)COC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1Cl 9525839 JRQXCXADZVKWNX-UHFFFAOYSA-N 430.309 3.648 0 40 IHAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)Cn2c(=O)cnc3ccccc32)cc1 9592490 AZPODBKOVNYSBG-DEOSSOPVSA-N 438.487 3.783 0 40 IHAB CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1OCC(=O)Nc1c(C)cc(C)cc1C 9761767 PXJLKKXCNDHYMT-UHFFFAOYSA-N 449.507 3.660 0 40 IHAB CCNC(=O)NC(=O)[C@H](Sc1nnc(C2CC2)n1Cc1ccccc1)c1ccccc1 9872682 DSMOVAWCBZXSOJ-LJQANCHMSA-N 435.553 3.883 0 40 IHAB CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)N2C(C)C)cc1 9934036 QMDLAPPIIVKUEM-IBGZPJMESA-N 441.459 3.577 0 40 IHAB COc1ccc(NC(=O)[C@@H](C)n2cnc3sc(C(=O)OCC(C)C)c(C)c3c2=O)cc1 9970902 VMNAQQDHMGDOPN-CQSZACIVSA-N 443.525 3.788 0 40 IHAB CCCCn1c(=O)c2ccccc2n2c(S[C@H](C)c3nc4ccccc4c(=O)[nH]3)nnc12 10053096 REKQOOSTGVKSMF-CQSZACIVSA-N 446.536 3.934 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(C)c(C)c3)o2)cc1 10220589 SHXYCPLKNCSCMC-UHFFFAOYSA-N 428.514 3.636 0 40 IHAB CC(=O)Nc1cccc(NC(=O)CCCN(c2cc(Cl)ccc2C)S(C)(=O)=O)c1 10328015 MUQIJKZMOWRCNU-UHFFFAOYSA-N 437.949 3.792 0 40 IHAB COc1ccc(-c2nc(P(=O)(OC)OC)c(NCc3ccc4c(c3)OCO4)o2)cc1 12062620 JMADWZDXKUBRME-UHFFFAOYSA-N 432.369 3.802 0 40 IHAB O=C(O)COc1ccc(/C=C2/SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)cc1 12469466 VFWCPRVYHMOYSO-YAXRCOADSA-N 447.852 3.769 0 40 IHAB COc1ccc(C(=O)C2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(C)c(F)c4)C3)CC2)cc1 12551859 VMDPDMHZEHZCBX-IBGZPJMESA-N 438.499 3.617 0 40 IHAB Cc1ccc(Cl)cc1N1CCN(CC(=O)N(C)CC(=O)Nc2ccccc2Cl)CC1 12607149 ZKZXWBOXQOPDCP-UHFFFAOYSA-N 449.382 3.521 0 40 IHAB COc1ccc(OC)c([C@H](C)NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)c1 12776781 UAYHAOWEORBWKC-AWEZNQCLSA-N 441.553 3.622 0 40 IHAB CN1CCN(C(=O)c2nn3c(c2Cl)N[C@@H](c2cccs2)C[C@@H]3C(F)(F)F)CC1 12849789 XEFMATUEOYHSME-ZYHUDNBSSA-N 433.887 3.646 0 40 IHAB CCC(C)(C)NC(=O)[C@H](c1ccccn1)N(C(=O)c1csnn1)c1ccccc1F 12869986 CSSVFGDRDZYUIN-SFHVURJKSA-N 427.505 3.765 0 40 IHAB COc1ccc(OC)c(S(=O)(=O)NCc2ccc(OCc3ccccc3)c(OC)c2)c1 12943613 NDTYPEGURZWBGE-UHFFFAOYSA-N 443.521 3.770 0 40 IHAB O=c1c2ccccc2nc(CN2CCOCC2)n1Cc1nc(-c2ccccc2F)cs1 13121376 MVXOEPUXIKNFPA-UHFFFAOYSA-N 436.512 3.540 0 40 IHAB CC[C@H](c1nnnn1C1CCCCC1)N(CCCO)Cc1cc2cccc(C)c2[nH]c1=O 13495981 VBDFWZNXAGJOHI-OAQYLSRUSA-N 438.576 3.664 0 40 IHAB Cc1cc(C)cc(N(CC(=O)NC2CCCC2)C(=O)CCC(=O)Nc2cc(C)ccn2)c1 13503719 SROYTCSYENQBRH-UHFFFAOYSA-N 436.556 3.818 0 40 IHAB Fc1ccc(N2CCN([C@@H](c3ccccc3)c3nnnn3Cc3cccs3)CC2)cc1 13505238 UJPNPRIRFHFUGF-QFIPXVFZSA-N 434.544 3.834 0 40 IHAB Cc1ccc(NC(=O)N(Cc2cc3cc4c(cc3[nH]c2=O)OCO4)C[C@H]2CCCO2)cc1 13511715 KXSSNFWZBVKRTH-LJQANCHMSA-N 435.480 3.778 0 40 IHAB COc1cc([C@H]2CC(=O)N(c3ccc(Cl)cc3)C3=C2C(=O)OC3)cc(OC)c1OC 13518412 HIOVAQNZJIZQIN-OAHLLOKOSA-N 429.856 3.697 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)C2CCCC2)CC3)cc1OC 13696289 WCAIUSXGMCJUDI-UHFFFAOYSA-N 430.526 3.584 0 40 IHAB CC[C@@H](C(=O)Nc1ccc(OC)c(OC)c1)N(c1cccc(Cl)c1)S(C)(=O)=O 13712067 RVTORBCHJPAWDP-INIZCTEOSA-N 426.922 3.541 0 40 IHAB O=C(c1sccc1-c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 14183153 SKSWOGCNEZJXCH-UHFFFAOYSA-N 430.526 3.701 0 40 IHAB Cc1ccc(NC(=O)C2C[C@@H]3CC[C@H](C2)C32SCCS2)cc1S(=O)(=O)N(C)C 14201212 BZIKLLFTXIAMCP-MQVJKMGUSA-N 440.656 3.796 0 40 IHAB CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3cccc(Cl)c3)CC2)cc1 14247704 VVEJKOYBNDWIIO-UHFFFAOYSA-N 448.972 3.602 0 40 IHAB O=c1c2ccccc2nc(CSC2=N[C@H]3C=Cc4nsnc4[C@H]3N2)n1-c1ccccc1 16523713 BUXPXDMKAZUHKZ-LPHOPBHVSA-N 444.545 3.566 0 40 IHAB Cc1cccc(NC(=O)c2sccc2S(=O)(=O)N2CCN(c3ccccc3)CC2)c1 16846334 TTWXRFXEAMVENB-UHFFFAOYSA-N 441.578 3.820 0 40 IHAB O=S(=O)(NCC1(c2ccc(F)cc2)CCOCC1)c1ccccc1Br 16973874 CSFOPPHQVXVRNX-UHFFFAOYSA-N 428.323 3.615 0 40 IHAB O=C(c1cc2c(s1)CCCC2)N1CCO[C@@H](c2nc(Cc3ccccc3F)no2)C1 19349718 QKDZNFNNEPBVDV-QGZVFWFLSA-N 427.501 3.954 0 40 IHAB CCN(CCN(C)C)c1nc(-c2ccncc2)nc2c1CN(Cc1ccccc1F)CC2 19526593 KLXLVSSGTVOFDR-UHFFFAOYSA-N 434.563 3.624 0 40 IHAB Cc1cc(-c2cncnc2)cc(C2CCN(C(=O)[C@H]3CC(=O)OC34CCCCC4)CC2)n1 19692187 XWRTXUZNDJJKIU-OAQYLSRUSA-N 434.540 3.819 0 40 IHAB Cc1c(CN2CCO[C@H](c3nc(N(C)C)ncc3-c3cncnc3)C2)oc2ccccc12 19692968 VDZGHWPVZXILOG-QFIPXVFZSA-N 430.512 3.628 0 40 IHAB Cc1nc2cc(C(=O)N3CC[C@@H](c4cc(COc5ccc(F)cc5)[nH]n4)C3)ccc2n1C 19704543 JHGUFAGCEJSMGU-QGZVFWFLSA-N 433.487 3.953 0 40 IHAB Cc1nc(C2CCN(C(=O)C3CCN(C(C)C)CC3)CC2)nc2c1CCCN2CC1CC1 19705693 KBTQULNGEFNFBO-UHFFFAOYSA-N 439.648 3.774 0 40 IHAB CCOC(=O)[C@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@H]1c1ccncc1 19820813 PQFCZTYXAQMNAN-PKTZIBPZSA-N 440.503 3.789 0 40 IHAB CN1CCc2c(sc3nc(NC[C@@H]4CCCO4)n(-c4cccc(Cl)c4)c(=O)c23)C1 20393062 MMOHMGXHCAEACD-HNNXBMFYSA-N 430.961 3.679 0 40 IHAB COc1ccc(N(CC(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)S(C)(=O)=O)cc1 20491385 MMOLHSNCMZWUHC-DEOSSOPVSA-N 438.549 3.675 0 40 IHAB COc1cc(NC(=O)c2ccccc2Cl)c(C(=O)OCc2nc(C)no2)cc1OC 22285455 NYDYKKJFJJQDLL-UHFFFAOYSA-N 431.832 3.658 0 40 IHAB Cc1ccc2c(c1)[C@H](NC(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O)CC(C)(C)O2 22328948 CYCCNKIIEHXZDO-LJQANCHMSA-N 430.570 3.796 0 40 IHAB CC1CCN(S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3ccc(F)cc3)cc2)CC1 22537142 RSMOZZHPLFLZBZ-KRWDZBQOSA-N 434.533 3.503 0 40 IHAB Cc1cccc(NC(=O)CN2CCN(CCC(=O)Nc3cccc(Cl)c3)CC2)c1C 22930843 YLFHTQBNJKCSCF-UHFFFAOYSA-N 428.964 3.542 0 40 IHAB O=C(COc1ccc(Br)cc1Cl)N1CCN(Cc2cccs2)CC1 23736234 ZJXYUGAEEPBDSG-UHFFFAOYSA-N 429.767 3.887 0 40 IHAB CCOc1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 24608637 VHMNSFMWJPIRAT-UHFFFAOYSA-N 436.961 3.919 0 40 IHAB COc1ccc(C(=O)N[C@H]2CCOc3ccccc32)cc1S(=O)(=O)N1CCCCCC1 24646367 KGKPCJOUFWOERP-IBGZPJMESA-N 444.553 3.514 0 40 IHAB COc1ccc(C(=O)N2CCC(c3nc(-c4ccc5c(c4)OCO5)no3)CC2)cc1OC 24876413 UAQDEFDMZXCALO-UHFFFAOYSA-N 437.452 3.502 0 40 IHAB CCC(=O)c1ccc(OC[C@@H](O)Cn2c(C)nc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 24925268 SAZZKXWCMUOYAX-PBHICJAKSA-N 440.565 3.924 0 40 IHAB Cc1cc(C)n(-c2ccccc2NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)n1 25013941 MXLUHJUGVMBINU-UHFFFAOYSA-N 432.505 3.790 0 40 IHAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)OCc1nnsc1Cl 26245381 XLALZGNEUDXELF-UHFFFAOYSA-N 441.893 3.797 0 40 IHAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 30064380 VWSFJLOCCMPCHF-MRXNPFEDSA-N 430.570 3.591 0 40 IHAB C[C@H]1Cc2ccccc2N1C(=O)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 30855633 BUBZJMVRIZLHDC-INIZCTEOSA-N 432.973 3.860 0 40 IHAB CCc1c(C(=O)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cnn1-c1ccccn1 31821261 KTOOXROLDQBCIR-UHFFFAOYSA-N 444.461 3.596 0 40 IHAB Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=S)NC(=O)c1cccc(F)c1 32126662 LDKKJIGTCSNEIC-UHFFFAOYSA-N 426.502 3.736 0 40 IHAB Cc1ccc(C)c(C(=O)[C@H](C)OC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c1 32776949 MOZZAILXTVEFQQ-DLBZAZTESA-N 435.567 3.580 0 40 IHAB O=C(C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)N[C@@H]1CCN(Cc2ccccc2)C1 32903051 OVGXDICKOMWASK-VQIMIIECSA-N 449.498 3.899 0 40 IHAB CCOc1ccc(-c2nc(Cn3nnc(C(=O)Nc4ccccc4F)c3N)c(C)o2)cc1 33291686 WYDRFWDMDZQAFI-UHFFFAOYSA-N 436.447 3.662 0 40 IHAB Cc1cc(C)cc(N([C@@H](C)C(=O)Nc2ccc(Br)cc2)S(C)(=O)=O)c1 33622302 MTKFLKZOGPYGTP-AWEZNQCLSA-N 425.348 3.859 0 40 IHAB COc1ccc(Cc2nnc(NC(=O)CCn3sc4ccccc4c3=O)s2)cc1 36360492 FYXJVEJZESAPHW-UHFFFAOYSA-N 426.523 3.543 0 40 IHAB O=C(c1ccc(OCc2ccc3ccccc3n2)cc1)N1CCN(c2ncccn2)CC1 36708004 YAMQUOJPVLQXGF-UHFFFAOYSA-N 425.492 3.566 0 40 IHAB COc1ccc(OC)c(-c2cc(C(=O)N3CCC(Cn4cnc5ccccc54)CC3)[nH]n2)c1 38533609 IUMPQTPQAUAHOW-UHFFFAOYSA-N 445.523 3.996 0 40 IHAB COCc1nn2c(C)c(C(=O)Nc3ccccc3)nnc2c1-c1ccc(OC)c(OC)c1 40372632 WNGSXKFLRQSQRI-UHFFFAOYSA-N 433.468 3.516 0 40 IHAB Cc1c(Cl)cccc1NC(=O)[C@@H]1CC(=O)Nc2nc(Nc3ccc(F)cc3)[nH]c(=O)c21 40399752 FRSMOPIUSOYUDJ-CYBMUJFWSA-N 441.850 3.679 0 40 IHAB CC[C@H](C)NS(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)N[C@H](C)CC)cc2)cc1 41096895 FCZSFJMHFZYKDX-IYBDPMFKSA-N 440.587 3.633 0 40 IHAB Cc1ccc(N2CN(CC(=O)Nc3cc(C)ccc3C)S(=O)(=O)c3cccnc32)cc1 49411457 CTCSUQVIYTXWPN-UHFFFAOYSA-N 436.537 3.745 0 40 IHAB COc1cccc(Cn2c(SCC(=O)NCCC(C)C)nc3ccsc3c2=O)c1 57426156 BDKWXJJFWWOMJN-UHFFFAOYSA-N 431.583 3.769 0 40 IHAB Cc1cccc(N(C)C(=O)Cn2c(=O)n(-c3ccc(Cl)cc3)c(=O)c3sccc32)c1 57491951 CUZKKEIRRFVYCK-UHFFFAOYSA-N 439.924 3.839 0 40 IHAB COc1ccc(-c2nc(CC(=O)Nc3ccc(-c4noc(O)n4)cc3)cs2)cc1OC 58179798 SSZJOHIXMSUFKT-UHFFFAOYSA-N 438.465 3.764 0 40 IHAB Cc1cc(C)c(NC(=O)CCCS(=O)(=O)[C@H](C)C(=O)N2C[C@@H](C)C[C@H](C)C2)c(C)c1 58935098 UJAHOXWCYZFTPY-ABSDTBQOSA-N 436.618 3.638 0 40 IHAB CCN1CCc2nc(-c3ccc(F)cc3)n(CC(=O)Nc3ccc(Cl)cc3)c(=O)c2C1 62007146 ASIPACPKXPQTJJ-UHFFFAOYSA-N 440.906 3.720 0 40 IHAB C[C@H](Oc1ccc(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)cn1)c1ccccc1 65521219 CTWREMKSRJLTMU-SFHVURJKSA-N 431.492 3.946 0 40 IHAB COc1ccc(C2=NC3(CCCCC3)N(CC(=O)Nc3cccc(C(C)=O)c3)C2=O)cc1 71768960 NONLLNJRXJSJNW-UHFFFAOYSA-N 433.508 3.828 0 40 IHAB COCc1nc2sc(C(=O)OC[C@@]3(C)CCCN3Cc3ccccc3)c(C)c2c(=O)[nH]1 72310754 SWTNEWBAQIDQBE-HSZRJFAPSA-N 441.553 3.651 0 40 IHAB O=c1[nH]c(-c2ccccn2)nc2c1CCN(Cc1nc3ccccc3n1Cc1ccccc1)C2 72336800 UCYFMBIYSKFIFU-UHFFFAOYSA-N 448.530 3.788 0 40 IHAB Cc1nc(=O)c2cc(Cl)ccc2n1C1=CCN(C(=O)c2[nH]nc3c2C[C@@H](C)CC3)CC1 72348305 HBXWGJRKEUKCRZ-ZDUSSCGKSA-N 437.931 3.593 0 40 IHAB COc1ccc(CCCNc2nc([C@@H]3CCCCN3C(C)=O)nc3c2CCN(C)C3)cc1 72376589 ACOHAARSQFMCDU-QHCPKHFHSA-N 437.588 3.591 0 40 IHAB Cc1noc(C)c1S(=O)(=O)N1CCCC[C@@H]1c1nc(N)ncc1-c1cccc(Cl)c1 72377233 PKRPZWKZOZJUEG-QGZVFWFLSA-N 447.948 3.900 0 40 IHAB CCS(=O)(=O)N1CCCc2cc(NC(=O)c3cc(-c4ccc(F)cc4)nn3C)ccc21 77200719 HFHCTUJFBJRIAX-UHFFFAOYSA-N 442.516 3.581 0 40 IHAB CS(=O)(=O)Cc1cccc(C(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)c1 78879449 SESVOFIANRYCAV-UHFFFAOYSA-N 440.609 3.892 0 40 IHAB CC[C@](C)(COc1ncccc1Cl)NCC(=O)NCCc1nc2ccccc2s1 89942111 LLAUDMMFJOASRJ-OAQYLSRUSA-N 432.977 3.841 0 40 IHAB O=C(CN1CCN(Cc2cccnc2)CC1)Nc1cccc(CSc2ccccn2)c1 95446660 HLEMICCFDSEZGF-UHFFFAOYSA-N 433.581 3.525 0 40 IHAB Cc1ccc(N(C)[C@@H]2CCCN(C(=O)Nc3ccc(CN4C(=O)CCC4=O)cc3)C2)cc1 95942600 UJFGFQRVPIKCTK-JOCHJYFZSA-N 434.540 3.777 0 40 IHAB O=S(=O)(c1ccc(F)c(C(F)(F)F)c1)N1CCc2c(ncn2-c2ccc(F)cc2)C1 96004716 SESBTFKTNFJXEW-UHFFFAOYSA-N 443.397 3.916 0 40 IHAB CCCN(CC(=O)Nc1ccccc1OC)[C@H](C)C(=O)N[C@H](C)CCc1ccccc1 102396337 GVBHHWBHTLZXFM-WOJBJXKFSA-N 425.573 3.872 0 40 IHAB C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1)c1ccc(F)cc1 113971528 OJSRHPAPIRLMLH-MAUKXSAKSA-N 438.952 3.898 0 40 IHAB COC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)Nc2cccc3ccccc23)cc1 139006620 OMMQBHNQIDAXED-UHFFFAOYSA-N 448.475 3.917 0 40 IHAB COC(=O)c1ccc(C)c(NC(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)c1 222531365 BEWXBQVSNBNLMR-UHFFFAOYSA-N 438.505 3.859 0 40 IHAB C[C@H]1Cc2ccccc2N1C(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1 222627171 ZOIQFVMPZDQVCQ-KRWDZBQOSA-N 428.554 3.654 0 40 IHAB Cc1cccc(N(CCCC(=O)NCCOc2ccc3ccccc3c2)S(C)(=O)=O)c1 223627656 QESJNOUKZUXJKX-UHFFFAOYSA-N 440.565 3.890 0 40 IHAB COc1ccc(S(=O)(=O)NCc2nc(-c3ccc(C)cc3)no2)c(Cl)c1Cl 223757992 VCBWKWGSEMURRE-UHFFFAOYSA-N 428.297 3.839 0 40 IHAB COc1cccc(CN(C(=O)COc2ccccc2OC)[C@@H](C)C(=O)NC2CCCC2)c1 224014618 RQFCRKFSRGNLCU-SFHVURJKSA-N 440.540 3.559 0 40 IHAB COC(=O)c1ccc(CS(=O)(=O)Nc2nnc(SCc3ccccc3)s2)cc1 224044505 KORAFNRBMNQXMO-UHFFFAOYSA-N 435.552 3.559 0 40 IHAB COc1cccc(CCCNS(=O)(=O)c2ccc(SC)c(NC(=O)C(C)C)c2)c1 224085455 VPLGLYSTNJWMCH-UHFFFAOYSA-N 436.599 3.923 0 40 IHAB COc1ccc([C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1 225129387 UJHWOHSZCSGWJZ-VGOFRKELSA-N 448.585 3.762 0 40 IHAB C[C@@]1(O)C[C@H](c2ccccc2)C[C@H](O)CCC[C@H]1CNC(=O)c1ccc(C(=O)O)cc1 257205776 BAMUWEBBKUPXRS-WTEVXDJOSA-N 425.525 3.591 0 40 IHAB CCCN1CCN(C(=O)c2cnn(C)c2C)[C@H](Cc2cccc(-c3cccs3)c2)C1=O 257285309 PGNXPJKZJBKLOK-OAQYLSRUSA-N 436.581 3.763 0 40 IHAB COc1cc2c(cc1CCC(=O)N1CCO[C@@H](c3cccc(-c4cc[nH]n4)n3)C1)CCC2 257340455 ZGFMLDKOTZYOFF-XMMPIXPASA-N 432.524 3.502 0 40 IHAB Cc1ncsc1CN1CCN(CC2CC2)[C@@H](c2cn3c(N4CCCC4)cccc3n2)C1 306144861 ZQTMSZRVBXLIRL-OAQYLSRUSA-N 436.629 3.968 0 40 IHAB C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N(Cc1ccccc1)Cc1ccccc1 408585221 XWPNJURQOOACCH-SFHVURJKSA-N 426.513 3.722 0 40 IHAB COc1ccc(CCNS(=O)(=O)c2ccc(NC(=O)N3CCCCCC3)cc2)cc1 408596300 RZSIZMKTMYWAQE-UHFFFAOYSA-N 431.558 3.624 0 40 IHAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc3sc(C(=O)N4CCCC4)cc3c2)c1 408713197 NSABZBOXBDOUNI-UHFFFAOYSA-N 446.550 3.955 0 40 IHAB CCCNC(=O)CN1C(=O)S/C(=C\c2ccc(OCc3ccccc3F)cc2)C1=O 409211575 OHBLTCQDQYNHFV-UNOMPAQXSA-N 428.485 3.967 0 40 IHAB Cc1ccc(N2C(=O)[C@@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)C2=O)cc1C 409273965 AVRHXWNKWJMCNU-SZPZYZBQSA-N 443.455 3.628 0 40 IHAB COc1cc2c(cc1OC)[C@@H](NC(=O)CCc1c(C)c3ccc(O)c(C)c3oc1=O)CC2 524729641 BPKFUWCAKOLYEJ-IBGZPJMESA-N 437.492 3.869 0 40 IHAB biogenic CC(=O)N1CCCCCCCN(CC(C)C)Cc2cc(C(=O)NCCN(C)C)ccc21 643573230 ORIXNWAAFKLKJN-UHFFFAOYSA-N 430.637 3.753 0 40 IHAB Cn1cnc(CN2CCC(N3C(=O)NCCc4ccccc4[C@@H]3c3ccccc3)CC2)c1 1615529154 FSOFLRGAYAYXBE-VWLOTQADSA-N 429.568 3.742 0 40 IHAB CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)O)cc2)cc1 1088065 YCXHTJUDKURKBK-PMACEKPBSA-N 446.525 3.716 0 40 IHAB Cc1nc(S[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)c2cnn(-c3ccccc3)c2n1 2638124 FZOQYXCHMHVWGW-CQSZACIVSA-N 447.520 3.650 0 40 IHAB CN(C)CCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@H]1c1ccccc1 2890458 DFBMNDNOWRVTLC-GOSISDBHSA-N 427.298 3.662 0 40 IHAB COC(=O)c1ccc(CNC(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1 3252220 BHGQOQRWPQERHI-UHFFFAOYSA-N 444.443 3.755 0 40 IHAB COc1cc(C(=O)OCC(=O)N[C@H]2CCCC[C@H]2C)ccc1OCc1c(C)noc1C 3418390 UUTUZYYWGDENPR-KUHUBIRLSA-N 430.501 3.731 0 40 IHAB COc1ccc(CNC(=O)CCc2c(C)c3ccc(OC)c(C)c3oc2=O)cc1OC 4743529 WGPUFZHWRNRVBZ-UHFFFAOYSA-N 425.481 3.685 0 40 IHAB biogenic Cc1cc(C)c2nc(O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCC(C)CC3)cc2c1 8674175 BPTGALQBEHFOTB-KNQAVFIVSA-N 436.560 3.544 0 40 IHAB Cc1ccc(C)c(-n2c(SCC(=O)N3CCNC3=O)nnc2-c2ccccc2Cl)c1 8746863 ZSTMHSHZBKEYSV-UHFFFAOYSA-N 441.944 3.848 0 40 IHAB Cc1cccc(-n2c(C)nnc2SCC(=O)Nc2cc(Cl)ccc2-n2cncn2)c1 8896957 RCDSWUIJRVQXLO-UHFFFAOYSA-N 439.932 3.849 0 40 IHAB COc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccc(OC)c(OC)c3)c3ccccc32)cc1 8919024 CIUSDSIIEPFPOQ-AREMUKBSSA-N 447.487 3.720 0 40 IHAB CCOC(=O)c1ccc2c(c1)nc(SCC(=O)Nc1ccc(OC)c(OC)c1)n2CC 9138796 RUDJDLSMHMYCTO-UHFFFAOYSA-N 443.525 3.981 0 40 IHAB COc1ccc(-c2noc(COC(=O)c3[nH]c(C)c(C(=O)OC(C)C)c3C)n2)c(OC)c1 9336760 UXBIAKXDXHPQPV-UHFFFAOYSA-N 443.456 3.621 0 40 IHAB CN1CCN(c2ccc(Cl)cc2NC(=O)COc2cccc3c2OC(C)(C)C3)CC1 9353517 SFISUZAKMQAABC-UHFFFAOYSA-N 429.948 3.823 0 40 IHAB O=C(Nc1ccc(N2CCOCC2)cc1)c1ccccc1C(=O)c1ccc2c(c1)OCCO2 9379528 UJVLFJFETAXGHH-UHFFFAOYSA-N 444.487 3.778 0 40 IHAB O=C(Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)Nc1ccc(Cl)c(Cl)c1 9416479 MOYIUAKUZNUTLS-UHFFFAOYSA-N 432.242 3.667 0 40 IHAB CCC[C@]1(c2ccccc2)NC(=O)N(Cc2cc3c(cc2Br)OCO3)C1=O 9494085 XSQMVSFXPWXIAL-HXUWFJFHSA-N 431.286 3.925 0 40 IHAB CCc1nc2ccccc2n1CC(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 9715147 JWHVMXLISUAKJO-UHFFFAOYSA-N 440.569 3.802 0 40 IHAB COc1ccc(C(=O)N[C@H](C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)C(C)C)cc1 10544936 LTNYKVHNYZNRRM-GCJKJVERSA-N 434.540 3.732 0 40 IHAB COc1ccc(OC)c(/C=C/C(=O)OCC(=O)Nc2ccc(Br)c(C)c2)c1 10868576 VHHRYVRZJILWJS-RUDMXATFSA-N 434.286 3.970 0 40 IHAB O=C(NCc1nnc2n1CCCCC2)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 10962151 QSIZYNHGBKRYIX-UHFFFAOYSA-N 430.487 3.926 0 40 IHAB CCOC(=O)c1c(C)oc2nc(COC(=O)Cc3cccc(C(F)(F)F)c3)nc(N)c12 11198505 AJPSDXNPGLGIIS-UHFFFAOYSA-N 437.374 3.595 0 40 IHAB COC(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCC(C)C)cc1 11208971 VZFUXCIACIEIPA-UHFFFAOYSA-N 439.537 3.960 0 40 IHAB COc1ccc(OC)c(NC(=O)COC(=O)c2cc(Br)ccc2Cl)c1 11481596 ZBDWVAFLLUFIHJ-UHFFFAOYSA-N 428.666 3.915 0 40 IHAB COc1ccc(C(=O)N2CCN(c3ccc(-c4ccc(C)c(C)c4)nn3)CC2)c(OC)c1 11695297 WTFHNVJRZFXKOB-UHFFFAOYSA-N 432.524 3.740 0 40 IHAB Cc1cc(=O)n2c(-c3cccc(NC(=O)[C@H](C)Oc4ccc5c(c4)OCO5)c3)csc2n1 11769712 SALDIKRHPZVHST-AWEZNQCLSA-N 449.488 3.866 0 40 IHAB COc1cc(C(=O)NCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)ccc1OC(F)F 11918079 NKUQATZOKHNLAZ-UHFFFAOYSA-N 448.422 3.707 0 40 IHAB Cc1cc(C)c2c(=O)n(CC(=O)Nc3cc(Cl)ccc3C)c(=O)n(-c3ccccc3)c2n1 12462387 KPAOCRLLLGJNQQ-UHFFFAOYSA-N 448.910 3.765 0 40 IHAB C[C@H](NC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)c1nc2ccccc2n1C(F)F 12507204 VPBYAMUJCMDQCG-HDDXYUSQSA-N 430.499 3.941 0 40 IHAB CS(=O)(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2N2CCCCC2)cc1 12545744 AYZUHWMSDJHSST-UHFFFAOYSA-N 428.963 3.535 0 40 IHAB Cn1ccnc1[C@H](NC(=O)CCCc1nc2ccccc2c(=O)[nH]1)c1ccc(Cl)cc1 12603244 WOOSXVMBRCUYQJ-OAQYLSRUSA-N 435.915 3.539 0 40 IHAB COc1ccc(C)cc1C(=O)CCC(=O)N1CCC(c2noc(-c3ccncc3)n2)CC1 12669435 WDZRPFVPLJDKFS-UHFFFAOYSA-N 434.496 3.818 0 40 IHAB CCC(C)(C)NC(=O)[C@@H](c1cccc(C)c1)N(Cc1cccnc1)C(=O)c1csnn1 12874801 GKAYKIDTSLKCEF-HXUWFJFHSA-N 437.569 3.930 0 40 IHAB O=C(/C=C/c1nc2ccccc2s1)OCc1cc(=O)n2cc(Br)ccc2n1 13059292 JIIHGHQNIJNEOE-BQYQJAHWSA-N 442.294 3.823 0 40 IHAB Cc1cccc(C(=O)NCc2nnc(SCC(=O)c3cn(C)c4ccccc34)n2C)c1 13956172 KRQRYFDLDDCJJG-UHFFFAOYSA-N 433.537 3.520 0 40 IHAB Cc1ccc(-c2ccsc2C(=O)OCC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)cc1 13987722 GFECFWDIQFPHCD-GOSISDBHSA-N 449.594 3.552 0 40 IHAB CCOC(=O)C1CCN(C(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3C)c2)CC1 14155911 FNOAWMBHRSGYFZ-UHFFFAOYSA-N 444.553 3.520 0 40 IHAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1cc(=O)c2cc(Br)ccc2o1 15859894 WNMWXEVWBYXTEA-OAHLLOKOSA-N 431.286 3.715 0 40 IHAB CSCC[C@@H](NC(=O)Cc1c(C)c2cc3c4c(oc3cc2oc1=O)CCCC4)C(=O)O 15953486 ZIUUQUVOMKEGBZ-QGZVFWFLSA-N 443.521 3.591 0 40 IHAB biogenic COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 16188243 QBTNKBONUHKDBL-UHFFFAOYSA-N 440.521 3.533 0 40 IHAB Cc1ccc2nc(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)nc(=O)n2c1 16689506 CDWJMFZKYZVBPJ-UHFFFAOYSA-N 428.823 3.801 0 40 IHAB CCc1nc2c(sc3cccc(F)c32)c(=O)n1CC(=O)Nc1ccc2c(c1)OCO2 16843831 QXYOBUIGIUCUBC-UHFFFAOYSA-N 425.441 3.680 0 40 IHAB Cc1cc(NC(=O)CCc2c(C)nn(-c3nc(C)c(C)c(=O)[nH]3)c2C)c2ccccc2n1 16980850 SXOGDJKKAPWFHC-UHFFFAOYSA-N 430.512 3.617 0 40 IHAB O=C(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1cccs1)c1ccc2c(c1)OCO2 17170157 SAQVYEKOGZEFKX-UHFFFAOYSA-N 442.518 3.871 0 40 IHAB O=C(Cn1cnc2ccccc2c1=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 18157276 BPUWXVFWPKWMHU-UHFFFAOYSA-N 435.487 3.566 0 40 IHAB CC(C)(C)c1ccc(OCC(=O)N2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)cc1 19084499 QBRCRSDRNAOELL-ZYSHUDEJSA-N 447.530 3.884 0 40 IHAB Cc1cc2c(cc1Cl)[C@@H](O)CC1(CCN(C[C@H](O)c3ccc4c(c3)OCCO4)CC1)O2 19125713 MHVWYIMKKQNNBI-PMACEKPBSA-N 445.943 3.804 0 40 IHAB Cc1cc2cc(C(=O)N3CCC[C@@H](c4cc(=O)[nH]c(C5CCN(C)CC5)n4)C3)ccc2o1 19126359 VSEPKKOQGZPHMP-LJQANCHMSA-N 434.540 3.654 0 40 IHAB Cc1c(C(=O)NCCC(C)C)sc2nc3n(c(=O)c12)CCN(Cc1ccccc1)CC3 19565196 MNRJUISOADSBQT-UHFFFAOYSA-N 438.597 3.601 0 40 IHAB CCc1nc(-c2cncnc2[C@H]2CN(Cc3cn(CC)c4cc(F)ccc34)CCO2)no1 19693773 XZHYDIXJOAGHEG-HXUWFJFHSA-N 436.491 3.776 0 40 IHAB C[C@]1(C2CCN(C(=O)c3ccc(N)nc3)CC2)CCCCN(CCc2ccccc2)C1=O 19744856 LWNLZDLSLVSQEV-AREMUKBSSA-N 434.584 3.778 0 40 IHAB C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1 20011974 NTHVYKDLPCFSGL-LBPRGKRZSA-N 445.766 3.600 0 40 IHAB COc1ccc(N([C@H](C)C(=O)N[C@@H]2CCCc3ccccc32)S(C)(=O)=O)cc1Cl 20108872 YGCNIHKUEZPECZ-AUUYWEPGSA-N 436.961 3.697 0 40 IHAB Cc1c(C(=O)NC[C@@H](c2ccco2)N2CCOCC2)oc2ccc(Br)cc12 20648223 GSBYKYHKLVTHDM-INIZCTEOSA-N 433.302 3.900 0 40 IHAB Cc1ccc2nc(C)cc(C(=O)O[C@H](C)C(=O)Nc3ccc(N4CCOCC4)cc3)c2c1 21128848 IBLUCZIXYIVSHE-GOSISDBHSA-N 433.508 3.872 0 40 IHAB CCOc1ccccc1C(=O)NCC(=O)O[C@H](C)C(=O)Nc1ccc([C@H](C)CC)cc1 21739242 SQUVCEMNHGETJM-IAGOWNOFSA-N 426.513 3.899 0 40 IHAB O=C(CCN1CCN(Cc2ccc(Br)s2)CC1)Nc1cccc(F)c1 22930789 QQFKLKNEALQOSD-UHFFFAOYSA-N 426.355 3.796 0 40 IHAB Cc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCN2CCOCC2)cc1 23043234 KKYYNFKGXAGNBP-QHCPKHFHSA-N 432.520 3.677 0 40 IHAB CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)N2CCN(Cc3ccncc3)CC2)cs1 23801040 WURRUESEJHRCRD-BQYQJAHWSA-N 447.564 3.580 0 40 IHAB CCCCc1ccc(Nc2nnc(SCc3ccc(OC)c(OC)c3)n(N)c2=O)cc1 28535934 USUSXNHMGXMFMK-UHFFFAOYSA-N 441.557 3.748 0 40 IHAB O=C(c1n[nH]c(=O)c2ccccc12)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1 29255952 ILBRVUMJZIXQOP-UHFFFAOYSA-N 448.523 3.749 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(NC(N)=O)c3)cc2)cc1C 29804829 RVDKKSQQSLHGEH-UHFFFAOYSA-N 438.509 3.847 0 40 IHAB Fc1cccc(-n2c(SCc3noc(-c4cccs4)n3)nnc2N2CCOCC2)c1 30514541 CKWBOMNVLBZMQA-UHFFFAOYSA-N 444.517 3.647 0 40 IHAB O=C(c1ccc(F)cc1)N1CCN(C(=O)c2cc(-c3ccco3)nn2-c2ccccc2)CC1 31192002 SOHGTNFUDLISIE-UHFFFAOYSA-N 444.466 3.870 0 40 IHAB COC(=O)c1ccc(OCC(=O)N2N=C(c3ccco3)C[C@H]2c2cccs2)c(OC)c1 32672110 ANVPUMPKPLXUMD-INIZCTEOSA-N 440.477 3.893 0 40 IHAB CCOC(=O)c1c(NC(=O)CN2CCN(c3ccc(Cl)cc3)CC2)sc(C)c1C 36351159 NEFWGCNXGUQZPC-UHFFFAOYSA-N 435.977 3.956 0 40 IHAB COc1cc2c(cc1OC)CN(C(=O)c1cnc(SC)n1-c1ccc(F)cc1)CC2 36726119 DHRCTHOQIHCYGK-UHFFFAOYSA-N 427.501 3.949 0 40 IHAB O=C(N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)c1ccc2c(c1)OCCCO2 40107848 ZNTJKHAZBVKSJT-GOSISDBHSA-N 448.441 3.960 0 40 IHAB Cc1nc2ccccc2nc1S(=O)(=O)CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 40152228 PNHFUTNOMUZMQP-NSHDSACASA-N 438.336 3.896 0 40 IHAB CCc1ccc([C@H]2NC(=O)N(CC(=O)Nc3cccc(Cl)c3C)C3=C2C(=O)OC3)cc1 49403080 SFFDEVYZTBNWDN-OAQYLSRUSA-N 439.899 3.727 0 40 IHAB O=C(Nc1ccc(F)cc1)NC1CCN(C(=O)Nc2ccc3c(c2)OCCCO3)CC1 58105850 YBWRAZLAIKIDDN-UHFFFAOYSA-N 428.464 3.805 0 40 IHAB Cc1ccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@@H](C)[C@@]5(C)[C@H](O)[C@@H]43)CC2)c(C)c1 59415206 SVKLPRDZURGQKV-VMAPLMQKSA-N 438.612 3.710 0 40 IHAB biogenic Cc1cc(NC(=O)C2CCN(c3cc(-n4ccnc4)ncn3)CC2)ccc1Br 70638058 DXHRWNBKJKZRIR-UHFFFAOYSA-N 441.333 3.588 0 40 IHAB CCc1noc(-c2cccnc2-n2cnc(C(=O)NCc3ccc(F)c(Cl)c3)c2)n1 71768564 WZEFZZJWKZKMRZ-UHFFFAOYSA-N 426.839 3.602 0 40 IHAB COc1cccc(-c2noc([C@@H](C)NC(=O)CCc3nnc(-c4ccc(C)cc4)o3)n2)c1 72303551 NWLIUTXBBNWOPH-OAHLLOKOSA-N 433.468 3.914 0 40 IHAB CCN1CCN(C(=O)c2cccc(N(C)C)c2)[C@@H](Cc2cccc(-c3ccncc3)c2)C1=O 72351692 JKKAXZUMIRPOJT-VWLOTQADSA-N 442.563 3.730 0 40 IHAB O=C(Cc1c[nH]c2ccccc12)N1CCN(c2ccccc2)C[C@@H](Cc2cnccn2)C1 72353563 SZFSHBDFVWVLPI-HXUWFJFHSA-N 425.536 3.708 0 40 IHAB CCNC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)c2ccn(C)n2)C1 72391199 QHEMEOORCAZOSD-DEOSSOPVSA-N 436.581 3.750 0 40 IHAB COc1ccc2c(c1)c([C@H]1CN(Cc3c(C)nn(C(C)C)c3C)C[C@@H]1NC(C)=O)cn2C 72395732 SYAKZDHRDJUYRM-RPWUZVMVSA-N 437.588 3.685 0 40 IHAB Cc1cc(S(=O)(=O)Nc2cccnc2N2C(=O)O[C@H](C(F)(F)F)[C@H]2C)c(C)s1 89582495 DYMFRZIWAMUSBM-RNCFNFMXSA-N 435.449 3.837 0 40 IHAB COc1cc(-c2cn([C@H]3CCc4c(F)cccc4NC3=O)nn2)ccc1-n1cnc(C)c1 95080393 WGXDLSKBTBHKET-NRFANRHFSA-N 432.459 3.713 0 40 IHAB in-vitro CN1CCN(C(=O)C[C@H]2CC3(CCN(C(=O)Nc4ccccc4)CC3)c3ccccc32)CC1 96242240 RYRFRLKTDJZWPE-NRFANRHFSA-N 446.595 3.904 0 40 IHAB O=C(CS[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O)Nc1cccc(F)c1 100056277 JTEIFIBJPCIJST-OAHLLOKOSA-N 437.290 3.592 0 40 IHAB CC(=O)c1ccc(OC(=O)c2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@H]6C[C@H]56)[C@H]4C3=O)cc2)cc1 101231840 USQQQIOFMAIXEB-RCQJKQRMSA-N 427.456 3.666 0 40 IHAB COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]3N3CCCN23)cc1 101895264 OXUAIQLLSKQZEX-CEXWTWQISA-N 432.307 3.538 0 40 IHAB CCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)ccc12 101900633 LCYUXNWXIFFGKV-YESZJQIVSA-N 429.513 3.828 0 40 IHAB CCOc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc1 138509097 QZNYBGNFXUOHEV-OAHLLOKOSA-N 430.888 3.582 0 40 IHAB COc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2ccc(C(C)=O)cc2)cc1 139021006 JMEGTRHQEKCBSR-UHFFFAOYSA-N 431.444 3.924 0 40 IHAB CC[C@@H](C(=O)N[C@@H](C)COc1ccc(C)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 219094222 UDWSZILSRSBRCR-JXFKEZNVSA-N 438.977 3.777 0 40 IHAB COc1ccc(N2CCN(CC(=O)N3CCS[C@H](c4ccccc4C)CC3)C2=O)cc1 219295540 ACTQBNYDXXXOEF-QFIPXVFZSA-N 439.581 3.952 0 40 IHAB CC[C@@H](C(=O)Nc1ccccc1C(=O)OC)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O 220727968 XPQSZWOZWXKYMJ-SFHVURJKSA-N 438.933 3.618 0 40 IHAB CCc1ccc(O[C@@H](CC)C(=O)NCc2nc(-c3ccc(OC)cc3OC)no2)cc1 222901378 VTYUDWAGCLSFHN-IBGZPJMESA-N 425.485 3.790 0 40 IHAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1C(=O)NC(C)C 222953947 QYXHWWZPLJQARI-INIZCTEOSA-N 430.570 3.752 0 40 IHAB CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccc(OC)cc1 223024239 GCBMRVATUYJIPY-OAHLLOKOSA-N 433.346 3.554 0 40 IHAB CCc1ccc(CC)c(CNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)c1 223121971 SBAVQSPYJAZSIY-UHFFFAOYSA-N 446.588 3.809 0 40 IHAB CN(C)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 223304867 ORQFHXVUQBALLR-UHFFFAOYSA-N 436.839 3.627 0 40 IHAB Cc1cccc([C@@H](NS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)c2ccccc2)c1 225379520 SMXVKXWSBUKQEG-KRWDZBQOSA-N 444.582 3.899 0 40 IHAB CC[C@H](NC(=S)Nc1ccc(Cl)c(C(=O)OC)c1)c1ccc(S(C)(=O)=O)cc1 225724481 FSCJRQASKZJIAS-KRWDZBQOSA-N 440.974 3.968 0 40 IHAB Cc1cc(C)cc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]45)[C@H]3C2=O)C(=O)c2ccccc2)c1 226399569 RFLOBBOLLYLZCN-YWIRWFRESA-N 426.516 3.961 0 40 IHAB C[C@H](Sc1nnc([C@H]2COc3ccccc3O2)n1C)C(=O)N1c2ccccc2C[C@H]1C 245267427 LRCCTNVDOZQGFJ-QEEYODRMSA-N 436.537 3.786 0 40 IHAB O=C(N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccccc2-n2cccn2)C1)[C@H]1CCCO1 247520366 XFLDUEHBXKIJLB-GPUOULLFSA-N 445.567 3.516 0 40 IHAB Cc1cccc(-c2nc3sc(=Cc4ccc(-c5cccc([N+](=O)[O-])c5)o4)c(=O)n3n2)c1 254669363 RITQBDKSHNJPFH-UHFFFAOYSA-N 430.445 3.842 0 40 IHAB CS(=O)(=O)c1c[nH]nc1[C@H]1CCCCN1C(=O)c1ccnc(Oc2cccc(F)c2)c1 257301066 RWVSDXWPDKJNMW-QGZVFWFLSA-N 444.488 3.507 0 40 IHAB CCOc1ccc(N([C@@H](CC)C(=O)N[C@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)cc1 260912701 BMGGPJCKXYYWIE-HXOBKFHXSA-N 444.597 3.996 0 40 IHAB Cc1cccc(N([C@H](C)C(=O)NCCOc2ccccc2C(C)(C)C)S(C)(=O)=O)c1 260943031 SVYLLIXUOOAFSU-GOSISDBHSA-N 432.586 3.642 0 40 IHAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)C(=O)NC(c1ccccc1)c1ccccc1 408583310 HHHLXRZDCXKHGH-SFHVURJKSA-N 438.549 3.576 0 40 IHAB CCCNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 408614257 AFNYYXKDNWJASC-CQSZACIVSA-N 433.430 3.837 0 40 IHAB CCCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccccc2Cl)c(Cl)c1 408617836 DLOKIKXHFBDGSZ-UHFFFAOYSA-N 445.368 3.767 0 40 IHAB CS(=O)(=O)N(CCCC(=O)NCCc1ccccc1)c1cc(Cl)ccc1Cl 408702478 GUUSXWGKNXWHAB-UHFFFAOYSA-N 429.369 3.899 0 40 IHAB Cc1ccccc1CNC(=O)c1ccccc1NC(=O)C(=O)NCc1ccccc1Cl 408709786 XBKFMFVIESYKQM-UHFFFAOYSA-N 435.911 3.833 0 40 IHAB CCn1c(SCC(=O)Nc2cccc(F)c2C)nnc1[C@H](C)NC(=O)c1ccccc1 409130356 HNNRPELCUURXSN-HNNXBMFYSA-N 441.532 3.967 0 40 IHAB O=C(Nc1cc(F)c(F)c(F)c1)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O 578494682 HZNHTGNTKKSFAM-CQSZACIVSA-N 433.308 3.930 0 40 IHAB CC1(C(=O)N2CCOC[C@H](Cc3cccn4nccc34)C2)CCN(Cc2ccccc2)CC1 585262086 SZBJUQLWVQCCEC-HSZRJFAPSA-N 446.595 3.654 0 40 IHAB CCOC(=O)CSc1nnc(NC(=O)[C@@H](C)Oc2ccccc2C(F)(F)F)s1 608895685 FBPZXJIHQXKRFR-SECBINFHSA-N 435.449 3.618 0 40 IHAB COc1cccc(CNC(=O)c2nc3c(s2)CCN(C(=O)CC2=CCCCC2)CC3)c1 2055793501 LNUVBDNIJDPHRF-UHFFFAOYSA-N 439.581 3.899 0 40 IHAB Cc1cccc(C(=O)Nc2ccc3nc(SCC(=O)N4CCOCC4)sc3c2)c1 705325 TWZXXWITUVRRQW-UHFFFAOYSA-N 427.551 3.808 0 40 IHAB COC(OC)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12 712640 DASXGRFLWVXOHQ-YKUCYRFJSA-N 443.474 3.995 0 40 IHAB COc1ccc(C(=O)Cn2nnc(-c3ccccc3NC(=O)c3ccccc3C)n2)cc1 1372714 IJFBOUVDVVZCMB-UHFFFAOYSA-N 427.464 3.792 0 40 IHAB CCCCCCn1nc(C(=O)OCC(=O)Nc2ccccc2F)c2ccccc2c1=O 3304276 CBERKPKNYMJGDO-UHFFFAOYSA-N 425.460 3.911 0 40 IHAB Cn1c(SCc2nnc(-c3ccc(F)cc3)o2)nnc1[C@@H]1COc2ccccc2O1 3450030 BAAOBHVTIOMRBP-INIZCTEOSA-N 425.445 3.809 0 40 IHAB CC(C)n1c(S[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)nc2ccccc2c1=O 3522521 FYPFPEYZOLDBTN-AWEZNQCLSA-N 425.510 3.503 0 40 IHAB COc1ccc(-c2noc(CN(C(=O)[C@@H](C)Oc3ccccc3)C(C)C)n2)cc1OC 4385440 CFAHGAUDLBSZOV-MRXNPFEDSA-N 425.485 3.958 0 40 IHAB COc1ccc([C@H]2CC(=O)N(CCCN(C)CCc3ccc(OC)c(OC)c3)C2)cc1 4742912 BSSMOKPJLOCBFI-NRFANRHFSA-N 426.557 3.593 0 40 IHAB CSCC[C@@H](NC(=O)C1CCC(C)CC1)C(=O)N1CCN(c2ccccc2F)CC1 4762601 QUEYTMCQDFWLPD-AFMYVXGZSA-N 435.609 3.539 0 40 IHAB COc1ccc([C@H](O)c2cc(-c3ccncc3)c([C@H](O)c3ccc(OC)cc3)nn2)cc1 5011196 SEVAGXOPKGMBHQ-LOSJGSFVSA-N 429.476 3.719 0 40 IHAB O=C(NCc1ccccc1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(CSc2ccccc2)nn1 8297696 FRPXQLIDGXYTQJ-BKULYWANSA-N 447.608 3.597 0 40 IHAB biogenic,in-vitro Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)N(Cc2ccccc2)C(C)(C)C)cc1 8626176 RMDBNCUUCNRJEP-UHFFFAOYSA-N 431.554 3.529 0 40 IHAB COc1ccc(OC)c(-n2c(N)c(C(=O)NCc3ccco3)c3nc4ccccc4nc32)c1 8834556 VPLXDXVYKOKAEI-UHFFFAOYSA-N 443.463 3.696 0 40 IHAB CCOC(=O)N1CCC(N[C@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)CC1 8935745 GFDUXAOFRSKSCC-QFIPXVFZSA-N 425.529 3.894 0 40 IHAB CCn1c(SCC(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)nnc1-c1cccs1 9493534 DUQGFRYWLPMVSF-SOUVJXGZSA-N 436.603 3.603 0 40 IHAB Cc1cccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(C/C=C/c3ccccc3)c(=O)n2C)c1 9518991 TUECLPSDDRFPEM-BEBFYNPSSA-N 441.535 3.706 0 40 IHAB CCc1ccccc1N1CCCn2c1nc1c2c(=O)n(Cc2ccccc2Cl)c(=O)n1C 9519184 DNESEMMBVGXDQO-UHFFFAOYSA-N 449.942 3.703 0 40 IHAB O=C(CN1CCc2sccc2[C@H]1c1ccccc1)NC(=O)Nc1ccc2c(c1)OCCO2 9664051 APPUCBJBFSPLSA-HSZRJFAPSA-N 449.532 3.815 0 40 IHAB O=C1C[C@H](N2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1ccc(SC(F)F)cc1 9870600 VHSSTNSPWVRFTO-SFHVURJKSA-N 435.471 3.595 0 40 IHAB O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)NC(=O)NC1CCCC1 9981671 RNTOSZRSVWFFBF-UHFFFAOYSA-N 439.516 3.934 0 40 IHAB CC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)CCC(=O)c2ccc3c(c2)OCCCO3)cc1 10470108 MUXATXHXHTWYFA-HNNXBMFYSA-N 439.464 3.584 0 40 IHAB O=C(OCC(=O)N1CCSc2ccccc21)c1cccc(I)c1 10716391 WRQSNXQVQVBONV-UHFFFAOYSA-N 439.274 3.587 0 40 IHAB COc1ccc2c(c1)CCCN2C(=O)COC(=O)c1ccc(NC(=O)c2ccco2)cc1 10984684 XKXPOKBUDIACDX-UHFFFAOYSA-N 434.448 3.677 0 40 IHAB O=S(=O)(c1cccc(Cl)c1Cl)N1CCN(c2ccc(-c3ccccc3)nn2)CC1 11695335 RFHXDIQYVVXPGH-UHFFFAOYSA-N 449.363 3.961 0 40 IHAB COc1cc(OC)c(C2=CCN(C(=O)c3ccc(OC)c(OC)c3OC)CC2)c(OC)c1 11918567 LHNOLEVZSMKQIO-UHFFFAOYSA-N 443.496 3.668 0 40 IHAB COc1ccc(C2(C(=O)N[C@H](C)c3nc4cc(-c5ccccc5F)ncn4n3)CC2)cc1 12085072 HZULRKIUAPHFPC-OAHLLOKOSA-N 431.471 3.848 0 40 IHAB CCc1c(C)sc2ncn(C3CCN(C(=O)c4cc(C(C)(C)C)n[nH]4)CC3)c(=O)c12 12087384 DMGDVXUEWTVIKR-UHFFFAOYSA-N 427.574 3.827 0 40 IHAB CC(=O)N1c2ccc([C@H](O)CN3CCC[C@@](O)(c4ccc(F)cc4)CC3)cc2C[C@@H]1C 12188760 JAKBBXJVHXQKSW-AJHZIAPWSA-N 426.532 3.530 0 40 IHAB CCOc1ccc(CCC2CCN(C(=O)c3cccc(NS(C)(=O)=O)c3)CC2)cc1 12526121 NHCHPEFYKVKIDR-UHFFFAOYSA-N 430.570 3.942 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1cc(F)c(F)c(F)c1F 12549474 MXSYKEFRMKJHTN-UHFFFAOYSA-N 448.438 3.925 0 40 IHAB O=C(CCc1ncc(-c2ccccc2F)o1)NCC(=O)Nc1ccccc1Br 12754019 GNXGMCJJCIHMCL-UHFFFAOYSA-N 446.276 3.931 0 40 IHAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COc1cccc(C(=O)NCc2ccccc2)c1 12759383 BSJYMANBALXOJZ-GOSISDBHSA-N 443.503 3.759 0 40 IHAB Cc1nnc(NC(=O)CSc2nnc(-c3ccoc3C)n2CCc2ccccc2)s1 13512410 WOEYAZMCIOBJRN-UHFFFAOYSA-N 440.554 3.980 0 40 IHAB Cc1cccc(CSc2nc(=O)c3c(n2C)NC(=O)C[C@@H]3c2ccc3c(c2)OCO3)c1 13567483 WHKPUXFBMILSPS-MRXNPFEDSA-N 435.505 3.584 0 40 IHAB O=C(CCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)NCCc1ccc(O)cc1 13576076 VKRYLZAUMJVHCN-AQTBWJFISA-N 430.913 3.831 0 40 IHAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCc3cccc(C)c3)Oc3ccccc32)cc1 13646038 KDPMOEGCZQBOAY-QHCPKHFHSA-N 436.533 3.576 0 40 IHAB COc1ccc2c(=O)c(Oc3ccc(C(=O)Nc4ccccc4C(N)=O)cc3)coc2c1 13727313 RXMDVQDTQASOSB-UHFFFAOYSA-N 430.416 3.945 0 40 IHAB biogenic Cc1nnc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)n2C)s1 13844326 YISJYGFGRMUMEP-UHFFFAOYSA-N 445.357 3.592 0 40 IHAB O=C(CN1CCN(C(=O)c2sc3cc(F)ccc3c2Cl)CC1)N1CCCCCC1 14141760 AGIJTFLYYSOLJF-UHFFFAOYSA-N 437.968 3.854 0 40 IHAB COc1ccccc1N(CC(=O)NCC1CCCCC1)S(=O)(=O)c1ccc(C)cc1 14357045 NZNNTUFTORWIHZ-UHFFFAOYSA-N 430.570 3.895 0 40 IHAB Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](c1cccnc1)N1CCc2ccccc2C1 15882618 ADASMPNJZFUVBI-QHCPKHFHSA-N 448.954 3.898 0 40 IHAB COc1ccc(NC(=O)Nc2nnc(SCC(=O)Nc3ccccc3OC)s2)cc1 15882681 YGQKATNFDXANGB-UHFFFAOYSA-N 445.526 3.930 0 40 IHAB COc1ccc(OC)c(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccccc2)c1 16215329 HGEWKLBVDIEMNA-UHFFFAOYSA-N 432.542 3.666 0 40 IHAB COc1cc(NC(=O)[C@H](C)OC(=O)c2cc(C)n(CC(F)(F)F)c2C)cc(OC)c1 16406188 VAEFDCZWFQCNLK-ZDUSSCGKSA-N 428.407 3.868 0 40 IHAB O=C(NCCC1=CCCCC1)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 16684466 BUJADKLIRHOBMI-UHFFFAOYSA-N 442.537 3.879 0 40 IHAB C[C@H](NC(=O)c1ccccc1NC(=O)Cc1csc(N2CCCC2=O)n1)c1ccccc1 18083868 ZDRCBZPAAYSZIP-INIZCTEOSA-N 448.548 3.942 0 40 IHAB Cc1ccc([C@H](C)C(=O)N2CCCC[C@@H]2c2nc(O)c3c(n2)CN(C(=O)C2CC2)CC3)cc1 19136070 WVNQWEIYCDEZQD-HTAPYJJXSA-N 448.567 3.643 0 40 IHAB CC(C)NC(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)c2ccn(C)n2)C1 19449452 JQNCFPLGJCDMDE-XMMPIXPASA-N 436.581 3.748 0 40 IHAB CC(C)NC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)c2cn(C)cn2)C1 19449490 DVPIVIGCHDDCNP-XMMPIXPASA-N 436.581 3.748 0 40 IHAB COc1ccccc1[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2)cc1 20019915 JXLTYZJSPUHEMG-QGZVFWFLSA-N 440.521 3.752 0 40 IHAB CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)CCN1CCN(CC)CC1 20478219 WPVPHSLEAQWASZ-UHFFFAOYSA-N 445.585 3.567 0 40 IHAB CC(C)(C)OC(=O)N1CCN([C@@H](C(=O)O)c2c[nH]c3ccc(Br)cc23)CC1 20725229 KCDSUMVJYGEQNF-MRXNPFEDSA-N 438.322 3.609 0 40 IHAB Cc1cc(C)c(N(CC(=O)NCCCc2cccc(OC(C)C)c2)S(C)(=O)=O)c(C)c1 22401420 ZCZXFTBNTGBMIQ-UHFFFAOYSA-N 446.613 3.914 0 40 IHAB COc1ccc(-c2nc(CN3CCN(CC(=O)Nc4c(C)cccc4C)CC3)co2)cc1 24622494 AOPBIGZUOZOQNC-UHFFFAOYSA-N 434.540 3.723 0 40 IHAB C[C@H](Oc1ccc(F)cc1)C(=O)N(Cc1cccc2ccccc12)[C@H]1CCS(=O)(=O)C1 28228577 WUKUQZINIBFXAP-UWJYYQICSA-N 441.524 3.962 0 40 IHAB CN(C(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1Cl)C1CCCCC1 32916514 TUDHDWXHAQLGFI-UHFFFAOYSA-N 437.787 3.514 0 40 IHAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(c2nc3ccccc3o2)CC1 33024181 AVPGRMAVWSKYJW-JOCHJYFZSA-N 430.508 3.763 0 40 IHAB CCOc1ccc(/C=C2/SC(=O)N(CCNC(=O)CC3CCCC3)C2=O)cc1OC 33473665 RKOUYVSXVKUVTP-CPNJWEJPSA-N 432.542 3.827 0 40 IHAB C[C@@H](NC(=O)c1ccc(Cl)cc1)c1nnc(SCC(=O)Nc2ccc(F)cc2)n1C 33498748 NDBQOYFCYQCPCZ-GFCCVEGCSA-N 447.923 3.829 0 40 IHAB Cc1ccc(OCC(=O)Nc2cccc(OCc3cc(=O)n4oc(C)cc4n3)c2)c(C)c1 35378580 DWKBDDMENJAJRP-UHFFFAOYSA-N 433.464 3.809 0 40 IHAB COc1cc(NC(=O)Cn2cnc3c(-c4ccc(F)cc4)csc3c2=O)cc(OC)c1 38486555 QRNBPWUTNKLKCN-UHFFFAOYSA-N 439.468 3.920 0 40 IHAB Cc1ccc(-c2cc3c4nnc(CCC(=O)NCc5cccs5)n4ccn3n2)cc1C 38487177 WOGSGIWXYLYUJE-UHFFFAOYSA-N 430.537 3.971 0 40 IHAB CCOc1ccc(-n2ccn3c(SCC(=O)Nc4cccc(CC)c4)nnc3c2=O)cc1 46047839 QZQUBKPNDMBVMH-UHFFFAOYSA-N 449.536 3.572 0 40 IHAB CCOc1c(Br)cc(CN[C@H](C(N)=O)c2ccccc2)cc1Br 58007842 FHHPXWVUJCHMTL-HNNXBMFYSA-N 442.151 3.927 0 40 IHAB O=C([C@@H]1CCCCN1C(=O)c1ccc(Cl)cc1I)N1CCCC1 58202210 ZOZHNFWDPGNOCS-HNNXBMFYSA-N 446.716 3.562 0 40 IHAB COCCOc1cccc(C(=O)N2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn34)C2)c1 64762681 ZAMYCEGXBYABGF-MRXNPFEDSA-N 448.445 3.793 0 40 IHAB COc1ccc(CNC(=O)c2nc(-c3nc(-c4ccc5c(c4)OCO5)no3)cs2)cc1 65230556 VFPCGTPPNFGWSK-UHFFFAOYSA-N 436.449 3.527 0 40 IHAB Cc1ccc(F)cc1NC(=O)c1nnn(CC(=O)Nc2ccccc2Br)c1C 67322368 CCILPUJMMIRBLR-UHFFFAOYSA-N 446.280 3.688 0 40 IHAB Cc1c(-c2nc(-c3cccnc3)no2)oc2ccc(S(=O)(=O)N3CCSCC3)cc12 71761919 SZWVQQQNUCOROH-UHFFFAOYSA-N 442.522 3.591 0 40 IHAB CCOc1ccc(CNC(=O)c2cn(-c3ccc(-c4nc(C5CC5)no4)cn3)cn2)cc1 71768270 RHSPYFLHBUCVNX-UHFFFAOYSA-N 430.468 3.523 0 40 IHAB CN([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1ccc(Br)s1 72203301 QTECJFYYZNVUEC-LLVKDONJSA-N 439.397 3.531 0 40 IHAB O=C(OC1CCN(c2nncc3ccccc23)CC1)c1ccc(N2CCCCC2=O)cc1 72310775 DGKYXZFHXAYVGX-UHFFFAOYSA-N 430.508 3.973 0 40 IHAB CCN(CC)C(=O)c1cnc([C@H]2CCCCN2C(=O)COc2ccc(F)cc2)nc1C 72345498 WNLUPJJVROUOIV-HXUWFJFHSA-N 428.508 3.539 0 40 IHAB O=C(NC[C@@H](O)COc1cccc(C(F)(F)F)c1)c1ccc(-c2nc(C3CC3)n[nH]2)cc1 79000384 IANDTTUWSAUYHE-QGZVFWFLSA-N 446.429 3.538 0 40 IHAB CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCCc3cccc(Cl)c32)cc1F 95977423 SJJOJXMKWDMXEC-UHFFFAOYSA-N 446.953 3.772 0 40 IHAB Cc1nc(-n2cccc2)sc1C(=O)N1[C@H]2CC[C@@H]1CC(S(=O)(=O)c1ccccc1)C2 96104160 RUQCZUVRZZGMRE-JJTKIYQPSA-N 441.578 3.852 0 40 IHAB O=C(NCC1CCN(C(=O)c2ccccc2F)CC1)c1cc(Br)cs1 96120444 KCPSTONPQXIWRV-UHFFFAOYSA-N 425.323 3.932 0 40 IHAB Cc1ccc(CN2[C@@]3(CCN(C(=O)Cc4ccccc4)C3)c3ccccc3S2(=O)=O)cc1 96143170 AUAMBWYSLXFELL-AREMUKBSSA-N 446.572 3.870 0 40 IHAB COc1ccc([C@H]2[C@H]3C(=O)N(c4c(Cl)cccc4Cl)C(=O)[C@@H]3N3CCCN23)cc1 102682128 QHWCEOJNUJKGCS-ZIFCJYIRSA-N 432.307 3.538 0 40 IHAB O=C1[C@H]2[C@H](C(=O)N1c1ccc(Cl)cc1)N1CCCN1[C@H]2c1ccc(Br)cc1 102686746 GFGPRNILPLHTFB-FGTMMUONSA-N 446.732 3.638 0 40 IHAB COc1ccc(Cn2nc(I)c3cc(Br)cnc32)cc1 116593841 UTTIUPGENAUCGQ-UHFFFAOYSA-N 444.070 3.855 0 40 IHAB C[C@H](C(=O)NCCSc1ccc(Cl)cc1)N(c1cccc(F)c1)S(C)(=O)=O 220468253 SWVFKFLZXMJULQ-CYBMUJFWSA-N 430.954 3.542 0 40 IHAB CC[C@@H](C(=O)NCc1ccc(Cl)cc1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O 222501609 BLWQIYJYAZAJEQ-KRWDZBQOSA-N 433.332 3.994 0 40 IHAB COc1ccccc1N(CCCC(=O)NCc1cccc2ccccc12)S(C)(=O)=O 222886834 DVWOQMAAKZYBFW-UHFFFAOYSA-N 426.538 3.711 0 40 IHAB COCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 223205360 VYPSKUKXPYUCJN-RUZDIDTESA-N 448.538 3.771 0 40 IHAB Cc1ccc([C@@H](NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)c2ccccc2)c(C)c1 223767608 OIJKWYMKDJUMOF-VWLOTQADSA-N 436.577 3.971 0 40 IHAB O=C(c1ccccc1)N1CCC(O)(c2csc(CN3CCc4ccccc4C3)n2)CC1 225425422 SQRXZCNJZYODDM-UHFFFAOYSA-N 433.577 3.825 0 40 IHAB biogenic,in-vitro CS(=O)(=O)N1CCCC[C@H]1c1nnc(C2CCN(Cc3cccc(Cl)c3)CC2)o1 257225608 FGZKKFMPFFXFIT-SFHVURJKSA-N 438.981 3.589 0 40 IHAB Cc1cc(N(C)C)nc([C@@]2(C)CCCN(C(=O)C3(Cc4ccccc4)CCOCC3)C2)n1 257231698 GHWSDWJXGVJQRZ-VWLOTQADSA-N 436.600 3.771 0 40 IHAB CCN(CC)C(=O)Cc1c(C)nc([C@H]2CCCN(C(=O)Cc3ccc(C)cc3)C2)nc1C 257240867 HVMWTPOBOBLMLK-QFIPXVFZSA-N 436.600 3.761 0 40 IHAB CNc1cc([C@]2(C)CCCN(C(=O)C3(Cc4ccc(F)cc4)CCOCC3)C2)nc(C)n1 257261203 LGECXKIPJSCWPP-XMMPIXPASA-N 440.563 3.885 0 40 IHAB COc1ccc(NC(=O)CN2CCO[C@@H](c3ccc(Nc4cccc(C)n4)cn3)C2)cc1 257323465 WKGXZNRXZVYAAQ-JOCHJYFZSA-N 433.512 3.549 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)c3ccc(F)cc3)C2)cc1C 260739946 KVNVEFKCWHNXPP-KRWDZBQOSA-N 434.533 3.597 0 40 IHAB COc1cccc(NC(=O)CSc2nnc(-c3cc(Br)ccc3O)n2C)c1 408541135 BQWJMLSNVDYAHG-UHFFFAOYSA-N 449.330 3.690 0 40 IHAB CCOc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OC)c(OC)c3)N(C)C2=S)cc1 409033152 DZXJWJHNDZNAJN-BOPFTXTBSA-N 428.510 3.716 0 40 IHAB COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)cc(OC)c1O 409364010 VGRKFFFRVJNYHG-RQZCQDPDSA-N 433.869 3.982 0 40 IHAB Cc1nc2ccnn2c(C)c1C(=O)Nc1cc(NC(=O)CN2CCCC[C@@H]2C)ccc1F 536330551 YDIHBJPVJFNULS-AWEZNQCLSA-N 438.507 3.550 0 40 IHAB CC(C)OC[C@H]1CN(C(=O)c2ccsc2NC(=O)c2ccc3c(c2)CCC3)CCO1 548110894 BAISZVXNBKPKDT-LJQANCHMSA-N 428.554 3.755 0 40 IHAB CNC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CCN(C(=O)c2cncc(N)c2)CC1 585166503 UENHNVMDIBCCBV-UHFFFAOYSA-N 446.526 3.681 0 40 IHAB O=C([C@@H]1CNCCO1)N1CCC(c2cccc(Nc3ncc(-c4ccccc4)s3)n2)CC1 585263259 SPJNNKBUINXOBE-FQEVSTJZSA-N 449.580 3.643 0 40 IHAB COC(=O)c1ccc(Cl)c(NC(=O)[C@H](Cc2c[nH]c3cc(F)ccc23)NC(C)=O)c1C 613436704 IQXCQXQFPLQPLN-IBGZPJMESA-N 445.878 3.741 0 40 IHAB O=C(O)CCc1ccc2c(c1)CN(Cc1cccc(F)c1F)CC(=O)NCCCCCO2 643572046 VRYJIWXMTZGGBD-UHFFFAOYSA-N 446.494 3.663 0 40 IHAB O=C(O)CN(Cc1ccc(F)c(Cl)c1)C(=O)Cn1c(C(F)(F)F)nc2ccccc21 2037872599 VUJHXDJEYSHUIS-UHFFFAOYSA-N 443.784 3.961 0 40 IHAB O=C(CSc1nnc(COc2ccccc2)n1Cc1ccccc1)NCc1ccco1 916225 MWEJIOYANXOZNG-UHFFFAOYSA-N 434.521 3.907 0 40 IHAB Cc1ccc(C(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C(=O)OC(C)C)cc3)C2)cc1C 993296 CJTGYNCQZKCFCM-FQEVSTJZSA-N 437.492 3.648 0 40 IHAB COC(=O)c1cc(CN2CCCCC2)cc(OC(=O)c2cc(OC)c(OC)c(OC)c2)c1 1622052 VMLUNUIPQPKYEH-UHFFFAOYSA-N 443.496 3.704 0 40 IHAB CCOc1ccccc1NC(=O)C(=O)[C@@H](c1ccccc1)S(=O)(=O)Cc1ccccc1 1637152 YZGOBQCGKBQYCL-HSZRJFAPSA-N 437.517 3.949 0 40 IHAB COC(=O)c1c(NC(=O)CCCOc2cccc(C)c2)sc2c1[C@@H](C(=O)OC)CC2 1773770 FMMULICEBVUPKK-HNNXBMFYSA-N 431.510 3.844 0 40 IHAB Cc1ccc(-c2nn(CC(=O)Nc3ccc(C(=O)N(C)C)cc3)c(=O)c3ccccc23)cc1 2368599 RTVSPSFVBOWYSM-UHFFFAOYSA-N 440.503 3.712 0 40 IHAB O=C(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)Nc1ccc(SC(F)F)cc1 3279407 VZEUFAGTPSEUIG-QGZVFWFLSA-N 444.463 3.584 0 40 IHAB O=C(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)Nc1c(Cl)cccc1Cl 3446241 YXWMPZRHYFVQPZ-MRXNPFEDSA-N 431.279 3.576 0 40 IHAB CN(Cc1ccccc1)C(=O)COC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 3489315 JXVGHUGVISYUBH-UHFFFAOYSA-N 426.476 3.750 0 40 IHAB O=C(OCc1c(F)cccc1Cl)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 3620418 IBLPOPOIYINUEV-UHFFFAOYSA-N 448.299 3.510 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 5940352 CDCLLGNUAAPNNP-UHFFFAOYSA-N 437.370 3.825 0 40 IHAB Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CCC[C@H](C)C3)cc2c1 6408849 OCEZPYRAGQLBJH-SBUREZEXSA-N 446.530 3.832 0 40 IHAB COc1ccc(N(Cc2cccs2)C(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1 8898658 FFQYUWOXPVOVIG-XMMPIXPASA-N 449.532 3.757 0 40 IHAB COc1ccc(NC(=O)[C@@H]2C[C@H](CCSC)N[C@@]23C(=O)Nc2c(C)cc(C)cc23)cc1 8994266 ZYNUTHFIZQWYSX-GERBCZOESA-N 439.581 3.829 0 40 IHAB COc1ccc(-c2nnc3ccc(SCC(=O)Nc4ccc(F)cc4F)nn23)cc1 9415145 JMPLFZIGBWLRJC-UHFFFAOYSA-N 427.436 3.809 0 40 IHAB Cc1cc(C(=O)CN2C(=O)N[C@@H](CCc3ccccc3)C2=O)c(C)n1Cc1ccccc1 9536579 IUFWBEIXISRUTG-QHCPKHFHSA-N 429.520 3.889 0 40 IHAB O=C(NCc1ccc(N2CCCC2=O)cc1)c1cccc(NS(=O)(=O)c2ccccc2)c1 9689692 UNBIFBDZLDRZAS-UHFFFAOYSA-N 449.532 3.544 0 40 IHAB O=C(NC[C@@H](c1cccs1)N1CCc2ccccc21)C(=O)Nc1cc(F)ccc1F 9708318 VMRLRTYDOHSVBH-IBGZPJMESA-N 427.476 3.885 0 40 IHAB O=C(CN1CCc2sccc2[C@H]1c1ccccc1)NC(=O)Nc1ccc2c(c1)OCO2 9737512 CVGMUVTUVZRGBJ-JOCHJYFZSA-N 435.505 3.773 0 40 IHAB O=C(COC(=O)c1cccnc1Oc1ccccc1)Nc1cccc(C(=O)NC2CC2)c1 10379680 UHWGFDWQBAAYBS-UHFFFAOYSA-N 431.448 3.562 0 40 IHAB CCOC(=O)c1ccc(NC(=O)COC(=O)COc2ccc(Cl)cc2Cl)cc1 11025056 NGVWUJFMANGABQ-UHFFFAOYSA-N 426.252 3.731 0 40 IHAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)CC(=O)Nc1c(Cl)cccc1Cl 11068770 IVISGKLXRRGQBI-CYBMUJFWSA-N 449.338 3.628 0 40 IHAB Cc1cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc(F)cc2)c(C)n1C[C@@H]1CCCO1 11245154 DZRWXUASZQSHSJ-DGKKPVBHSA-N 425.460 3.512 0 40 IHAB COc1ccc(C(=O)N2CCN(c3ccc(-c4ccc(C)cc4C)nn3)CC2)c(OC)c1 11695309 FCCAXUFCIXXSHP-UHFFFAOYSA-N 432.524 3.740 0 40 IHAB COc1cc2cc(CNc3ccc(N4CCOCC4)c(Cl)c3)c(=O)[nH]c2cc1OC 12088251 PYVFENQGUMEAPW-UHFFFAOYSA-N 429.904 3.647 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCc4sccc4[C@@H]3C)CC2)c(C)c1 12788825 UXPNWFRMSANTQA-KRWDZBQOSA-N 432.611 3.912 0 40 IHAB O=C(Nc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc[nH]c1=O 12814048 XEWHHIPQKXTMLP-UHFFFAOYSA-N 438.292 3.735 0 40 IHAB CSCC[C@H](C(=O)NCc1ccc(Cl)cc1Cl)N1C(=O)[C@H]2CCCC[C@H]2C1=O 13010228 WZUOKAMVLLRRDP-HLLBOEOZSA-N 443.396 3.907 0 40 IHAB Cc1cc(C(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c(C)n1Cc1ccccc1 13114874 JGXVEFSBVPQLIL-SANMLTNESA-N 427.504 3.729 0 40 IHAB Cc1cc(-c2ccccc2)nc(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)n1 13126091 YTJCKFPDHXSEDM-UHFFFAOYSA-N 445.548 3.981 0 40 IHAB COCCNC(=O)c1ccc(-n2c(C)nc3ccc(OCc4ccccc4)cc3c2=O)cc1 13690705 XAYXNFLMWSYAHP-UHFFFAOYSA-N 443.503 3.649 0 40 IHAB COc1ccccc1CN1C(SCc2ccc(Cl)cc2)=N[C@H]2CS(=O)(=O)C[C@@H]21 13692805 RNQZCBGGSRTSPC-ROUUACIJSA-N 436.986 3.619 0 40 IHAB COc1ccc(Br)cc1CN(C)C(=O)c1cccc(CN2CCCC2=O)c1 14122083 XXWWVSQGWGWCIC-UHFFFAOYSA-N 431.330 3.852 0 40 IHAB CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)CCNC(=O)c1ccco1 14196497 FSIGPWHMISEBAK-UHFFFAOYSA-N 428.492 3.911 0 40 IHAB COc1cc2c(cc1NC(=O)[C@@H](C)Oc1ccc(-n3cnnn3)cc1)oc1ccccc12 14352364 SWCWXWJITXBGQI-CQSZACIVSA-N 429.436 3.976 0 40 IHAB CCCCNC(=O)N(O)[C@H]1N(CCc2ccc(OC)c(OC)c2)C(=S)SC1(C)C 15162301 WEOWTVKMOFGSJZ-QGZVFWFLSA-N 441.619 3.886 0 40 IHAB COc1cccc(C(=O)NC[C@H](c2ccco2)S(=O)(=O)c2ccc(F)c(C)c2)c1OC 15781257 MGNBJHFEXMULGG-HXUWFJFHSA-N 447.484 3.689 0 40 IHAB CCCCN1C(C)=NS(=O)(=O)c2cc(C(=O)Nc3cccc(NC(C)=O)c3)ccc21 15867663 FXZPLGJKSJHVNJ-UHFFFAOYSA-N 428.514 3.625 0 40 IHAB COc1ccc(OC)c(NC(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c1 16215345 YIBQRXWDNONRSU-UHFFFAOYSA-N 442.493 3.522 0 40 IHAB CCN(CC)CCOC(=O)c1ccc(NC(=S)NC(=O)/C=C/c2ccc(F)cc2)cc1 18195198 PZCMITMBCQEGFR-VGOFMYFVSA-N 443.544 3.851 0 40 IHAB CC(C)[C@H](NC(=O)C1CCN(C(=O)c2cccs2)CC1)c1ccc2c(c1)OCCO2 19295814 SLDCQTDLGOSGBU-NRFANRHFSA-N 428.554 3.885 0 40 IHAB COc1cccc([C@@H]2CN(C(=O)CN3CC[C@@H]4CCCC[C@@H]4C3)C[C@H]2c2csnn2)c1 19566033 CSKWEIGZPNEZTK-OZROYSPXSA-N 440.613 3.768 0 40 IHAB Cc1noc(CCC(=O)N2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccc(F)cc2)n1 19694605 DFKFNMVINKQSNM-IBGZPJMESA-N 438.507 3.727 0 40 IHAB Cc1ccc(F)c(S(=O)(=O)N2CC[C@@H](c3cc(C(=O)N(C)C)c4ccccc4n3)C2)c1 19761038 VBHXFTRIGRRXMC-MRXNPFEDSA-N 441.528 3.562 0 40 IHAB COCCNC(=O)c1cc([C@@H]2CN(Cc3ccc(C)cc3OC)CCO2)nc2ccccc12 19762028 BMYFSVVZATVQKX-VWLOTQADSA-N 449.551 3.502 0 40 IHAB COC(=O)c1ccc(C)c(NC(=O)CN2c3ccccc3-c3ccccc3S2(=O)=O)c1 20062970 FZGSIJDSZRRLLM-UHFFFAOYSA-N 436.489 3.596 0 40 IHAB Cc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCN2CCOCC2)o1 20308256 UJWAEERRVJXRGQ-FQEVSTJZSA-N 442.899 3.615 0 40 IHAB COc1ccc2[nH]cc(CCNC(=O)c3nnc(-c4cccc(Br)c4)o3)c2c1 20731256 AFQGQKVNSMVKQY-UHFFFAOYSA-N 441.285 3.962 0 40 IHAB O=C(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)Nc1ccc(-c2ccccc2)cc1 20888918 QFQDVMDCBXAABN-HSZRJFAPSA-N 438.487 3.937 0 40 IHAB CN1CCN([C@@H](CNC(=O)COc2ccc(Cl)cc2Cl)c2ccsc2)CC1 22765634 ZEEXYSHFHQHWCP-KRWDZBQOSA-N 428.385 3.539 0 40 IHAB CCOc1ccc(-c2noc([C@H]3CCCN(S(=O)(=O)c4cccs4)C3)n2)cc1OC 23125791 KQBRIEACJDIEAQ-HNNXBMFYSA-N 449.554 3.774 0 40 IHAB Cc1noc(C)c1COc1cccc(C(=O)N[C@H](CN2CCOCC2)c2ccccc2)c1 23989921 QHMIETQXQVUMFL-XMMPIXPASA-N 435.524 3.674 0 40 IHAB NC(=O)c1cc(-c2csc(NC(=O)COc3ccc4oc5c(c4c3)CCCC5)n2)c[nH]1 29872286 ABTCAVUFSYYBJP-UHFFFAOYSA-N 436.493 3.880 0 40 IHAB C[C@@H](Sc1ccc(S(=O)(=O)N2CCCCC2)cn1)C(=O)c1ccc(F)c(F)c1 31746866 YJHOCTDVEXFOIC-CYBMUJFWSA-N 426.510 3.898 0 40 IHAB CCS(=O)(=O)NC1CCN(Cn2nc(-c3ccc(C(C)(C)C)cc3)oc2=S)CC1 32926890 OEVNMDNBLLOCBB-UHFFFAOYSA-N 438.619 3.531 0 40 IHAB O=S(=O)(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(Br)cc1Cl 33047982 RURLKUQEAAVKFH-HNNXBMFYSA-N 429.767 3.655 0 40 IHAB CC(=O)N1CCN(C[C@@H]2C=C(C)[C@H](Cc3nnc(-c4ccncc4)o3)C[C@H]2C(C)C)CC1 35442644 CKHJNUBIZXDSLA-VABKMULXSA-N 437.588 3.693 0 40 IHAB biogenic,in-vitro Cc1cccc(-c2nnc(S)n2CC(=O)N2CCC(N3c4ccccc4C[C@@H]3C)CC2)c1 40135629 GHRKHNKUDKEAEN-SFHVURJKSA-N 447.608 3.984 0 40 IHAB COc1cccc(CN2N=C(C(=O)N3CCCCCC3)S(=O)(=O)c3ccc(C)cc32)c1 49402716 GSXCCNIZYIKDAZ-UHFFFAOYSA-N 441.553 3.514 0 40 IHAB O[C@@H](COc1ccc(Oc2ccccc2)cc1)Cn1nc(N2CCOCC2)sc1=S 58158003 ABGODDZCJIPNEA-MRXNPFEDSA-N 445.566 3.743 0 40 IHAB COc1cccc(CN[C@@H]2CCN(c3ccc(C(=O)Nc4ccccc4)cn3)C2)c1OC 65257031 RHDUBIHVVGDQAC-OAQYLSRUSA-N 432.524 3.720 0 40 IHAB Cn1cc(-c2ccc(Cl)cc2)c2ncn(CC(=O)Nc3ccc(F)cc3F)c(=O)c21 67235762 UGXOWDBHJXWGNN-UHFFFAOYSA-N 428.826 3.972 0 40 IHAB Cc1nc2c(c(=O)[nH]1)C[C@@H]1CC[C@H](C2)N1C(=O)C[C@]1(Cc2ccccc2)CCOC(C)(C)C1 72373138 AIFNHELYYMAJTM-FYQCMVGJSA-N 449.595 3.745 0 40 IHAB O=C(CCn1ccc2ccc(Br)cc21)N1CCN(CCc2ccccn2)CC1 79491668 MZQRENXRMIMDCP-UHFFFAOYSA-N 441.373 3.576 0 40 IHAB CS(=O)(=O)Cc1ccc(C(=O)N(CC(F)(F)F)[C@H]2CCCc3cccnc32)cc1 95462413 SCUUTPNQOYOCLD-KRWDZBQOSA-N 426.460 3.708 0 40 IHAB CC(=O)Nc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 101221426 IYRVNKAGCDPRBN-VJBWXMMDSA-N 445.450 3.835 0 40 IHAB CC1=C[C@@H]2C[C@@H]1[C@H]1C(=O)N(c3cccc(C(=O)OCC(=O)c4ccc(F)cc4)c3)C(=O)[C@H]21 101227160 KVQGEDZVHYSDTR-DGEVVOEJSA-N 433.435 3.567 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)N[C@@H](C)c1ccccc1C 224077684 QGCPNJUSSCEXHF-IBGZPJMESA-N 444.597 3.988 0 40 IHAB CCc1ccc(CC)c(CNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2OC)c1 225419809 KRVYWNAKOJNEGP-UHFFFAOYSA-N 430.570 3.535 0 40 IHAB CC(C)CCn1ccc2c(OCC(=O)N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)cccc21 257198956 NGUADZCEPJYYGZ-VQTJNVASSA-N 433.552 3.874 0 40 IHAB O=C(CN1CC[C@H]2CCCC[C@H]2C1)N1C[C@@H](c2csnn2)[C@H](c2ccc(F)cc2)C1 257337758 YUFIVQLRNWVUCL-GKBFQHABSA-N 428.577 3.899 0 40 IHAB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)c(Cl)c1 408556887 KOPIFZACCSINEV-UHFFFAOYSA-N 435.304 3.838 0 40 IHAB COc1ccccc1CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 408559731 YCFVWBWJNRERGJ-NRFANRHFSA-N 438.549 3.566 0 40 IHAB C[C@@H]1CCc2cc(F)ccc2N1C(=O)Cn1cc(C(=O)C(=O)N2CCCC2)c2ccccc21 408571795 PNEPSAPTBKDHOQ-QGZVFWFLSA-N 447.510 3.953 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1 408619348 LTAXZSJBYOTQTD-QGZVFWFLSA-N 432.542 3.745 0 40 IHAB CCOC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(C)c(Cl)c2)cc1 408662493 JAEOBJHTWJKKOJ-UHFFFAOYSA-N 446.887 3.726 0 40 IHAB Cc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccc(F)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 409062165 OVSWFDDZCNFDSA-MYPDDRRYSA-O 436.894 3.804 0 40 IHAB CC(C)(C)c1ccc(C(=O)NCCC(=O)N2CC[C@@](CO)(Cc3ccc(F)cc3)C2)cc1 562214926 ZRMXBRIUMNDEPS-AREMUKBSSA-N 440.559 3.697 0 40 IHAB CC(C)c1cc2c(O)nc(CSCC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)nc2s1 604418686 HYGYETZFYMPEBZ-QKKBWIMNSA-N 435.615 3.907 0 40 IHAB CN1CCOCCCCC2(CCN(C(=O)CCCC(=O)O)CC2)COc2ccccc2C1 643578669 FELUJETYRMLHIG-UHFFFAOYSA-N 446.588 3.561 0 40 IHAB Cc1c(C(=O)N2CC[C@H](Oc3ccncc3Br)C2)cnn1-c1ccccc1 1775972546 KFQUXTBWRGGOIM-INIZCTEOSA-N 427.302 3.632 0 40 IHAB C[C@]12C[C@@H](c3ccccc3)C[C@](CCO)(CC[C@@H](NC(=O)c3cccc(F)c3)[C@@H]1O)O2 1848354893 JSVLXUUTXPFVHF-FDFYBKTBSA-N 427.516 3.553 0 40 IHAB COc1ccc(COC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc(F)c(Br)c2)cc1 717914 DPBZQYHJBGVSSQ-GOSISDBHSA-N 449.276 3.968 0 40 IHAB COc1ccccc1NC(=S)N(CCN(C)C)Cc1cc2ccc(C)c(C)c2[nH]c1=O 880626 KUEJYUNBDNTATJ-UHFFFAOYSA-N 438.597 3.914 0 40 IHAB O=C(CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)Nc1ccc(Cl)cc1 905663 ZRLLLVHMCUMEEW-INIZCTEOSA-N 429.929 3.960 0 40 IHAB COc1ccc(C(=O)NC(=S)N(C)C2CCCCC2)cc1I 1003892 JZXYFOSGTPKYME-UHFFFAOYSA-N 432.327 3.579 0 40 IHAB COCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2cccc(Cl)c2)C1=O 2119924 HYNAKTWHUFITMM-NZQKXSOJSA-N 437.927 3.543 0 40 IHAB biogenic COc1ccc2c(c1)c(=O)c(Br)c(C)n2CC(=O)Nc1ccccc1OC 2225125 PHAQEBSIKICGQK-UHFFFAOYSA-N 431.286 3.728 0 40 IHAB COc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccc(OC)cc4)nc3cc2C)cc1 2447308 CQTCMKVGKLDCKI-UHFFFAOYSA-N 447.520 3.873 0 40 IHAB Cc1ccc(Cl)c(NC(=O)CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)c1Cl 2624396 OKSIRINECSGSGO-INIZCTEOSA-N 445.306 3.885 0 40 IHAB CC(C)n1nc(C(=O)O[C@H](C)C(=O)Nc2ncc(Cl)cc2Cl)c2ccccc2c1=O 2654725 UXILMXWYWMKSLU-LLVKDONJSA-N 449.294 3.863 0 40 IHAB CCSc1nnc(C(F)F)n1NC(=O)c1cc2nc(C(F)F)cc(C(F)F)n2n1 2791127 FRQLRDNLONFVHI-UHFFFAOYSA-N 439.345 3.630 0 40 IHAB O=C(CSc1nc2ccsc2c(=O)n1Cc1ccccc1F)NCc1ccco1 2908969 QFTRGYUZGPNNNI-UHFFFAOYSA-N 429.498 3.647 0 40 IHAB CC1(C)C[C@H]2C[C@](C)(CN2C(=O)COC(=O)c2cccc(I)c2)C1 3225540 RGXPOOQDAOCKEN-KXBFYZLASA-N 441.309 3.875 0 40 IHAB Cc1ccc(COC(=O)c2cc(S(=O)(=O)NC(C)C)ccc2Br)cc1 3379757 WSERUZMOOLPWFV-UHFFFAOYSA-N 426.332 3.801 0 40 IHAB Cc1ccccc1NC(=O)C1(N(C(=O)Cc2n[nH]c(N)n2)c2ccccc2)CCCCC1 3619889 TUCDEASQBDETSC-UHFFFAOYSA-N 432.528 3.613 0 40 IHAB COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CCCCCC3)cc2c1 6282605 WASRNPBDWRWJTH-QFIPXVFZSA-N 436.560 3.994 0 40 IHAB COc1cccc(N2C(=O)[C@H](CC(=O)Nc3cccc(F)c3)N(C3CCCC3)C2=O)c1 8591519 QOJKMUMJHFBDFJ-FQEVSTJZSA-N 425.460 3.943 0 40 IHAB CC(C)Cn1c(SCC(=O)NC(=O)NC2CCCCC2)nnc1-c1ccccc1F 8718634 ONBCYFDLPWDZGB-UHFFFAOYSA-N 433.553 3.991 0 40 IHAB COc1ccccc1N(CC(=O)N1CCc2ccccc2C1)S(=O)(=O)c1cccs1 8900852 TYVOWLZFSUTDAR-UHFFFAOYSA-N 442.562 3.537 0 40 IHAB CCOc1ccc([C@H]2Nn3c(CC)nnc3S[C@H]2C(=O)Nc2ccccc2F)cc1 9197476 UDRVOIRHPWJGGO-RTBURBONSA-N 427.505 3.776 0 40 IHAB CCOc1ccc(NC(=O)COC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)cc1 9282832 ATZZYNOFBVBMRI-UHFFFAOYSA-N 432.476 3.664 0 40 IHAB CCOc1ccc(NC(=O)CSc2ccc3nnc(-c4ccc(OC)cc4)n3n2)cc1 9415162 JBWJTUZOEVJCIV-UHFFFAOYSA-N 435.509 3.929 0 40 IHAB CN(C(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@]1(c2ccccc2Cl)CCCCC1=O 9440363 DCJXRYCAXQVYMJ-QFIPXVFZSA-N 448.972 3.701 0 40 IHAB O=C(CCCc1nnc2n(Cc3ccccc3)c(=O)c3ccccc3n12)NC1CCCCC1 9673560 JTCOJRZJWXFWME-UHFFFAOYSA-N 443.551 3.864 0 40 IHAB COc1ccccc1NS(=O)(=O)c1cc(C(=O)NCCc2ccc(F)cc2)ccc1C 9698219 OFIVKQRZCZFVBG-UHFFFAOYSA-N 442.512 3.916 0 40 IHAB C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O)c1cc2ccccc2o1 9876893 XUCXZSDJEDWVJD-SGANQWHYSA-N 431.492 3.566 0 40 IHAB COc1ccc2c(CC(=O)Nc3c(C(=O)N4CCOCC4)oc4ccccc34)coc2c1 9910376 JFXKXGNAERQAEF-UHFFFAOYSA-N 434.448 3.841 0 40 IHAB Cc1noc(C)c1COc1ccc(C(=O)O[C@H](C)C(=O)NC(=O)NC2CCCCC2)cc1 9963077 SSPVNNSHVYHZDL-MRXNPFEDSA-N 443.500 3.574 0 40 IHAB Cc1cc2ccccc2n1CC(=O)OCC(=O)Nc1ccccc1C(=O)NC1CCCC1 10622088 LHJCRCROKWFFGQ-UHFFFAOYSA-N 433.508 3.804 0 40 IHAB CCOc1cc(Br)c(CC(=O)O[C@H](C(N)=O)c2ccccc2)cc1OCC 10904514 RYVJUVPMYVLVDK-IBGZPJMESA-N 436.302 3.559 0 40 IHAB COc1ccc2[nH]cc(CCNC(=O)[C@H]3CCCN(c4nc5ccccc5n4C)C3)c2c1 12116453 LOBINIGLGZMSOM-SFHVURJKSA-N 431.540 3.639 0 40 IHAB Cc1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)C(C)(C)Oc2ccc(Cl)cc2)n1 12123410 QHRCSFNAIWCRKM-UHFFFAOYSA-N 427.892 3.591 0 40 IHAB COc1ccc(C(=O)NC(=S)N(C)c2ccccc2C(=O)NC2CCCCC2)cc1 12293024 AGYCMXJUTWTYNI-UHFFFAOYSA-N 425.554 3.909 0 40 IHAB O=C1c2ccccc2N[C@@H](c2ccc(-n3cncn3)cc2)N1c1ccc2c(c1)OCCO2 12527663 BBWPYBUMKDBFBA-HSZRJFAPSA-N 425.448 3.810 0 40 IHAB O=C(CNc1cccc(S(=O)(=O)N2CCCC2)c1)Nc1ccc(C(F)(F)F)cc1 12536647 PBYVTXFUQDIGRV-UHFFFAOYSA-N 427.448 3.541 0 40 IHAB O=C(CCCN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(-c2cn3ccccc3n2)cc1 12556745 OJXWIDRZTLPCMI-UHFFFAOYSA-N 431.496 3.585 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3ccc(-c4ccccc4F)o3)CC2)cc1 12594530 AWQOJOFRXLLTHB-UHFFFAOYSA-N 442.512 3.931 0 40 IHAB CCCc1sc(C(=O)OCC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1CC 12622982 MHLXZAIYKISJOP-SFHVURJKSA-N 449.594 3.640 0 40 IHAB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2cnn(-c3ccccc3)c2)c1 12683700 QPQILHDDLLHCNZ-UHFFFAOYSA-N 432.505 3.950 0 40 IHAB Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)Cc2csc(-c3ccsc3)n2)c1C 12748387 JYHMIWUBLHSBDE-UHFFFAOYSA-N 435.596 3.920 0 40 IHAB CC(=O)c1ccc(O[C@H](C)C(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)cc1 12777366 FZSOKADYYPVFDG-MRXNPFEDSA-N 436.464 3.514 0 40 IHAB CCS(=O)(=O)c1ccc2oc(SCC(=O)c3cccc(N4CCCC4=O)c3)nc2c1 12781226 APZTUOILRQMHQZ-UHFFFAOYSA-N 444.534 3.723 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)N[C@H](C)c2ccccc2)CC1 12843597 PQGKBLNVUDVQNX-OAHLLOKOSA-N 436.961 3.627 0 40 IHAB O=C(CCc1nc(-c2ccc(F)cc2)no1)N1CCN(Cc2ccc(Cl)cc2)CC1 12852392 QGJZVDLUDOGUIM-UHFFFAOYSA-N 428.895 3.806 0 40 IHAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)S(=O)(=O)c1cccc(S(C)(=O)=O)c1 12854710 CWFVPJKGTNPBHR-UHFFFAOYSA-N 439.942 3.824 0 40 IHAB CCC(C)(C)NC(=O)[C@H](c1ccc(C)cc1)N(C[C@H]1CCCO1)C(=O)c1csnn1 12874374 HAXKFRIFUGAYKV-MJGOQNOKSA-N 430.574 3.514 0 40 IHAB COc1ccccc1CNC(=O)CN(Cc1ccc(C)cc1)S(=O)(=O)c1ccccc1 14135358 CJINIMDHNIZHOD-UHFFFAOYSA-N 438.549 3.511 0 40 IHAB Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)c(C)c1 14413696 AGSBJCQWJKSSES-UHFFFAOYSA-N 434.989 3.982 0 40 IHAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)CCc1nc2ccccc2c(=O)[nH]1 14596126 FUTNSXBRXAAQJV-UHFFFAOYSA-N 435.402 3.538 0 40 IHAB Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)c2)cc1 15541641 ZJYWIGFLXCDTGU-UHFFFAOYSA-N 436.493 3.526 0 40 IHAB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2cccnc2)N2CCc3ccccc3C2)cc1Cl 15882616 BRDNRGBCLROPQX-QHCPKHFHSA-N 448.954 3.898 0 40 IHAB COc1ccc(-c2noc([C@@H]3CN(C(=O)CCc4cn(C)c5ccccc45)CCO3)n2)cc1 19290415 ZPLQQFVDPHMSIT-QFIPXVFZSA-N 446.507 3.770 0 40 IHAB COc1cccc(CN2CCC[C@@H](c3cc(N)n4nc(-c5ccco5)cc4n3)C2)c1OC 19567777 PMNCYIUJZCJHSQ-MRXNPFEDSA-N 433.512 3.968 0 40 IHAB Cc1ccn2cc(C(=O)N3CCC(c4nc(C)c5c(n4)N(CC4CC4)CCC5)CC3)nc2c1 19706683 AVCDVCPHVCGROJ-UHFFFAOYSA-N 444.583 3.924 0 40 IHAB Nc1nc(-c2ccccc2)nc2nc([C@@H]3CCCN(S(=O)(=O)c4ccccc4)C3)ccc12 19743285 RUODDYOQFVXFND-GOSISDBHSA-N 445.548 3.842 0 40 IHAB CCn1ccc(C(=O)N2CCCC[C@H]2c2ncc(C(=O)Nc3ccccc3OC)c(C)n2)n1 19755633 KUNPUNICKVUGPA-FQEVSTJZSA-N 448.527 3.630 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(F)c(F)c3F)C2)cc1 20017325 XHRQMFCNFGINFW-ZDUSSCGKSA-N 442.459 3.542 0 40 IHAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OC 20110736 SOCOYDDIAOAPSD-NRFANRHFSA-N 446.569 3.893 0 40 IHAB O=C(NCCCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 20487984 HLHMGRAAFXKFOM-UHFFFAOYSA-N 434.989 3.631 0 40 IHAB Cc1cc(NC(=O)C2(S(=O)(=O)c3ccccc3)CCCC2)ccc1N1CCCC1=O 21598084 CIJHFGVSHSBLOM-UHFFFAOYSA-N 426.538 3.847 0 40 IHAB CC(C)Oc1ccc(N(CC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)cc1 22401654 QKSWGTJYJCKYIQ-HXUWFJFHSA-N 446.569 3.658 0 40 IHAB C[C@]1(c2ccco2)NC(=O)N(CC(=O)N2c3ccccc3SC[C@@H]2c2ccccc2)C1=O 23043390 HIGPDGQVASAZHU-HOYKHHGWSA-N 447.516 3.927 0 40 IHAB O=C(COC(=O)c1n[nH]c(=O)c2ccccc12)Nc1ccccc1Sc1ccccc1 23077215 YXDDPRXCFLDDAI-UHFFFAOYSA-N 431.473 3.870 0 40 IHAB O=C(Cc1c[nH]c2ccccc12)Nc1nc2ccc(S(=O)(=O)N3CCCC3)cc2s1 24934952 DCHSBXJONCYBBU-UHFFFAOYSA-N 440.550 3.743 0 40 IHAB O[C@@H](COCc1ccccc1F)CN1CCN(Cc2csc(-c3ccccc3)n2)CC1 25306915 KIDIYVLRXBVMKJ-JOCHJYFZSA-N 441.572 3.645 0 40 IHAB COC(=O)c1cccc(NS(=O)(=O)c2ccc(SC)c(C(=O)N3CCCC3)c2)c1C 26115181 CWXLAGHPHVIKID-UHFFFAOYSA-N 448.566 3.540 0 40 IHAB CC(C)c1nnc(NC(=O)[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(C)C)s1 26601783 UBUVPQWDLRUPSJ-QGZVFWFLSA-N 432.571 3.756 0 40 IHAB CSc1ccc(Cl)c(C(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c1 26947414 YXSRDKNPPFIGKU-NTEUORMPSA-N 436.986 3.820 0 40 IHAB CN(C)[C@@H](CNC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)c1cccc(F)c1 27594141 GROQGNPZDQVCOI-NRFANRHFSA-N 427.907 3.722 0 40 IHAB Cc1cc(NC(=O)CN2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)n(C)n1 29267965 VWBKZPZMDYDNFK-UHFFFAOYSA-N 436.082 3.577 0 40 IHAB CCCCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1[C@H](CC)N(C)C 29595249 FVADWLRHRSTPDZ-INIZCTEOSA-N 433.578 3.593 0 40 IHAB O=C(Nc1ccc(OC(F)(F)F)cc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 31665543 QCWKHLRXHQCDOH-UHFFFAOYSA-N 442.459 3.766 0 40 IHAB CCC1=C(C(=O)OC)[C@@H](c2cccc(F)c2)NC(=S)N1c1ccc2c(c1)OCCO2 32665962 BURKHSWRFZMVNN-HXUWFJFHSA-N 428.485 3.870 0 40 IHAB O=C(CSc1nncc2c1[nH]c1ccc(F)cc12)Nc1cccc(C(=O)NC2CC2)c1 32752931 XJVIVYOERHZFKL-UHFFFAOYSA-N 435.484 3.873 0 40 IHAB O=C(c1ccc(O)cc1)C1CCN(C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)CC1 32898942 DLCURKDQZZMQCB-UHFFFAOYSA-N 426.900 3.908 0 40 IHAB CCn1c(CNC(=O)c2ccccc2Cl)nnc1SCC(=O)Nc1ccc(C)cc1 33744793 VEQGQCZIWWLEQI-UHFFFAOYSA-N 443.960 3.921 0 40 IHAB Cc1ccc(NC(=O)Cn2nc3c(Oc4ccccc4)nc4ccccc4n3c2=O)cc1 35425035 RTIPJJHGZYMPLM-UHFFFAOYSA-N 425.448 3.784 0 40 IHAB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)N1CCN(c2ccccc2Cl)CC1 36185547 RAPDRSFTPPLFFT-FQEVSTJZSA-N 435.902 3.721 0 40 IHAB C[C@H]1C[C@@H](C)CN([C@H](C(=O)O)c2cn(CCC(=O)O)c3cc(Br)ccc23)C1 36360455 MZXHLOZBLINGGU-QUJCMNEKSA-N 437.334 3.982 0 40 IHAB COc1cccc(OCc2cccc(C(=O)N3N=C(C(F)F)C[C@]3(O)C(F)F)c2)c1 36611082 PNPNZOFYWCTZMI-FQEVSTJZSA-N 426.366 3.695 0 40 IHAB CCn1nccc1[C@@H](C)NC(=O)c1cc(C2CC2)nc2onc(-c3cnn(CC)c3C)c12 36619133 PHBLUTZTOWZDFT-CYBMUJFWSA-N 433.516 3.999 0 40 IHAB O=C1C[C@@H](c2cc(Br)ccc2OCc2ccccc2Cl)N2N=CNC2=N1 38199506 JPQNVJAJIGROPS-HNNXBMFYSA-N 433.693 3.857 0 40 IHAB Cc1cccc(C)c1NC(=O)Cn1nc2c3cc(-c4ccc(Cl)cc4)nn3ccn2c1=O 38487394 VIMVHRUYPBORDV-UHFFFAOYSA-N 446.898 3.720 0 40 IHAB Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)Nc1ccc2[nH]c(C(C)(C)C)nc2c1 40052526 BHKZXCPTXTXMAE-UHFFFAOYSA-N 426.542 3.862 0 40 IHAB Cc1ccc(C)c(NC(=O)CN2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)c1 40149601 QLGWAPUBAPOOOM-INIZCTEOSA-N 445.361 3.750 0 40 IHAB CCOc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccccc5Cl)no4)ncn3n2)cc1 48986220 DODWFNRUYFKLTB-UHFFFAOYSA-N 448.870 3.708 0 40 IHAB COc1ccc2c(c1)CCN=C2C[C@H]1CN(C(=O)C2CCCCC2)CC[C@H]1CC(=O)O 49590451 MNYJVIROIYOQIE-ICSRJNTNSA-N 426.557 3.950 0 40 IHAB biogenic,in-vitro CCn1cc(-c2nc(-c3cc(OC)c(OC)c(OC)c3)no2)c(=O)c2cc(F)ccc21 57354802 VIBLYESTEYMZMK-UHFFFAOYSA-N 425.416 3.903 0 40 IHAB CCN1CCN(C(=O)Cc2ccc(F)cc2)[C@H](Cc2ccccc2-c2cccnc2)C1=O 72351553 VHYRIFVPYOXBGA-XMMPIXPASA-N 431.511 3.732 0 40 IHAB CNc1nc([C@@H]2CCCN2C(C)=O)nc2c1CN(Cc1c(C)cc(OC)c(C)c1C)CC2 72372396 JPYWSXVIUUINJI-QFIPXVFZSA-N 437.588 3.694 0 40 IHAB CCn1cc(S(=O)(=O)N2CCC[C@H]2c2cccc(Nc3cccc(C)n3)n2)c(C)n1 72375592 RLXRFOOFSLWTMI-SFHVURJKSA-N 426.546 3.579 0 40 IHAB Cc1cc(C)nc(Nc2cccc([C@@H]3CCCN3S(=O)(=O)CCc3ccccc3)n2)n1 72375869 MTRDGFUAMIXFPK-NRFANRHFSA-N 437.569 3.941 0 40 IHAB NC(=O)c1ccc(-c2cnc(N)nc2[C@H]2CCCCN2C(=O)CCc2ccccc2)cc1 72376913 ISNWRDPLCBLGAI-OAQYLSRUSA-N 429.524 3.511 0 40 IHAB Cc1nccn1-c1ccc([C@H](C)NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)cc1F 79025202 ZEAGDRDMXYQKRN-HNNXBMFYSA-N 433.487 3.756 0 40 IHAB CCCCOc1ccc(C(=O)N2CCN(c3cc(Nc4ccccn4)ncn3)CC2)cc1 90607892 GBJHEAFDNJLUJR-UHFFFAOYSA-N 432.528 3.757 0 40 IHAB O=C(Nc1ccn(Cc2ccccn2)n1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 97117713 IAJRKOVADLVHQW-UHFFFAOYSA-N 446.433 3.826 0 40 IHAB COc1ccc(-c2cc(N3CCC(NC(=O)CCc4cccc(OC)c4)CC3)[nH]n2)cc1 98212785 IOYCJJZELSBXGO-UHFFFAOYSA-N 434.540 3.812 0 40 IHAB COc1ccc(Br)c(CN2N=N[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]32)c1 101168142 RMSJMRZAIHEIGJ-HZPDHXFCSA-N 449.692 3.605 0 40 IHAB Cc1ccc(C)c(NC(=O)CN(c2ccc(Br)c(C)c2)S(C)(=O)=O)c1 113935479 YDSSJASEMOYYST-UHFFFAOYSA-N 425.348 3.779 0 40 IHAB CC[C@@H](C(=O)Nc1cccc(Br)c1)N(c1ccc(OC)cc1)S(C)(=O)=O 220637351 BWVAEHSABOJLFU-KRWDZBQOSA-N 441.347 3.641 0 40 IHAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(C)c(N2CCCCS2(=O)=O)c1 222568061 LLMPYDOWATVVBI-KRWDZBQOSA-N 443.569 3.706 0 40 IHAB CCCCNC(=O)c1ccccc1NC(=O)c1ccc(C)c(N2CCCCS2(=O)=O)c1 222569281 IVGNRPHSVMXKLN-UHFFFAOYSA-N 443.569 3.707 0 40 IHAB CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(Cl)cc1Cl 223417191 RPZFOBOSKZHCTK-SFHVURJKSA-N 439.339 3.934 0 40 IHAB COc1ccc(CN(C(=O)COc2ccc(C)cc2C)[C@H](C)C(=O)NCC(C)C)cc1 224481906 MNODCDLODHKCLA-HXUWFJFHSA-N 426.557 3.880 0 40 IHAB CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN1C(=O)c2cccc3cccc1c23 224613921 GBJNRAFHKVAIOM-JOCHJYFZSA-N 443.547 3.786 0 40 IHAB Cc1ccc(-c2nnc(NC(=O)CN(c3c(C)cc(C)cc3C)S(C)(=O)=O)s2)cc1 225019657 RXIBYFAWJOMQLE-UHFFFAOYSA-N 444.582 3.843 0 40 IHAB COc1ccc(-c2noc(CNC(=S)Nc3ccc(C)c(N4CCCC4=O)c3)n2)cc1 225824569 CSSVWOZBPIPDMQ-UHFFFAOYSA-N 437.525 3.667 0 40 IHAB CCNC(=O)C1(Cc2cccc(-c3ccncc3)c2)CCN(C(=O)c2ccncc2)CC1 257218980 DFCHLTFVXDMPNG-UHFFFAOYSA-N 428.536 3.745 0 40 IHAB C[C@@H]1CCC[C@@H](C)N1CCCNC(=O)[C@@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2N1 257221786 DQMLBQBBDFSEDV-GGOBFBALSA-N 438.616 3.744 0 40 IHAB CN(Cc1ccc(OCCCN2CCCC2=O)cc1)C[C@@H](O)Cn1ccc2ccccc21 257310622 UFXJRZRMRKJFRY-HSZRJFAPSA-N 435.568 3.526 0 40 IHAB CC(=O)Nc1cc(NC(=O)CN2CCOC[C@H](Cc3ccc4ccncc4c3)C2)ccc1C 257323942 WMNHKNIJWLOAMG-OAQYLSRUSA-N 446.551 3.631 0 40 IHAB CCc1nnc(Nc2cccc([C@@H]3CN(C(=O)c4sc(C)nc4C)CCO3)n2)s1 257328148 XEJBKJRQETZKOE-AWEZNQCLSA-N 430.559 3.526 0 40 IHAB CCc1nnc(Nc2cccc([C@H]3CCCN(C(=O)Cc4csc(C)n4)C3)n2)s1 257329177 XIVFFUGNLGQHRV-AWEZNQCLSA-N 428.587 3.953 0 40 IHAB Cc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)C[C@H](C(=O)NCC1=CCCCC1)O2 260850829 RQCWDFFZQDRIAG-JOCHJYFZSA-N 426.538 3.568 0 40 IHAB Cc1ccc(N([C@H](C)C(=O)NCCOc2ccccc2C(C)(C)C)S(C)(=O)=O)cc1 260928638 JXJPAAJZKFXMRX-GOSISDBHSA-N 432.586 3.642 0 40 IHAB Cc1ccc(N([C@@H](C)C(=O)NCCSCc2ccc(Cl)cc2)S(C)(=O)=O)cc1 408547225 XCGNETLCAQIXCL-INIZCTEOSA-N 441.018 3.853 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(F)c3)CC2)cc1Cl 408597746 XVQCPUCAEDIZAJ-UHFFFAOYSA-N 440.924 3.917 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(NC(C)=O)cc3)o2)cc1 408638804 SWDHEWITMINIOG-UHFFFAOYSA-N 440.481 3.603 0 40 IHAB O=C(CNS(=O)(=O)c1ccc(Br)cc1)Nc1c(Cl)cccc1Cl 409139951 CEDNIQPRCAAXQF-UHFFFAOYSA-N 438.130 3.673 0 40 IHAB CC[C@H](C)Oc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1OC 409217199 TUWDHZLGODXNAZ-BGARDKSCSA-N 441.459 3.543 0 40 IHAB CCOc1cccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)c1 409341788 BTHLNWDIMXCRMU-ODLFYWEKSA-N 440.477 3.532 0 40 IHAB O=C(Cc1cc2ccccc2nc1O)N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 562910818 BOQRAWYGTJRSTC-LJQANCHMSA-N 432.398 3.982 0 40 IHAB COc1ccc([C@@H](CC(=O)O)NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1 590409433 IPGIQLXMWXMHBJ-DHIUTWEWSA-N 446.503 3.889 0 40 IHAB Cc1nc(CC(=O)N2CCOCCOc3ccccc3Oc3ncccc3C2)cs1 643573953 SSXQRDDXCQFHCP-UHFFFAOYSA-N 425.510 3.619 0 40 IHAB CN(C)[C@@H]1CC[C@H]2CN(C(=O)c3ccccc3OCC(=O)Nc3ccccc3F)C[C@@H]2C1 1537789609 ATWZGVUWVGNCOT-GBESFXJTSA-N 439.531 3.646 0 40 IHAB Cc1cc(C)cc(-c2cc(NC(=O)Nc3ccc(C(=O)N4CCOCC4)c(F)c3)n[nH]2)c1 1562678991 CCJXIIGFPHAGFP-UHFFFAOYSA-N 437.475 3.949 0 40 IHAB O=C(NC[C@@H]1CCCO1)[C@H]1CC(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C1 1089446 VDVUKNXOFXNYSI-PXNSSMCTSA-N 428.916 3.567 0 40 IHAB Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3cccnc3)C(=S)NC[C@H]3CCCO3)cc12 1224570 GHBIFAHCTBQJNX-HXUWFJFHSA-N 436.581 3.596 0 40 IHAB Cc1cccc(NC(=O)CN2C(=O)C(C)(C)Oc3ccc(C(=O)NC4CCCC4)cc32)c1 1342289 XZCDXYIEXVZMQL-UHFFFAOYSA-N 435.524 3.810 0 40 IHAB COc1ccc(CCn2cnc3c([nH]c4ccc(Br)cc43)c2=O)cc1OC 2133796 PVLXVDVOSBKPPY-UHFFFAOYSA-N 428.286 3.900 0 40 IHAB biogenic Cc1ccc(-n2c(SCC(=O)NC[C@H]3CCCO3)nnc2-c2ccccc2F)cc1 2619310 MGTKCZPFAYVBFG-QGZVFWFLSA-N 426.517 3.769 0 40 IHAB O=C(CCc1c[nH]c2ccccc12)N1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1 3154746 WTNSLNVIBVIEDC-UHFFFAOYSA-N 428.536 3.885 0 40 IHAB biogenic Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cc4c(s3)CCC4)cc2)nc(C)n1 3230785 AOPXBQOPXYJKOH-UHFFFAOYSA-N 428.539 3.697 0 40 IHAB O=C(Nc1ncc(C(F)(F)F)cc1Cl)c1cccc(S(=O)(=O)N2CCCC2)c1 3257138 DXSKNQULYUFSPZ-UHFFFAOYSA-N 433.839 3.791 0 40 IHAB CCOC(=O)c1c(NC(=O)COC(=O)c2cccc(C)c2O)sc2c1CC[C@@H](C)C2 3294643 COQZBBUNJPPEGW-GFCCVEGCSA-N 431.510 3.859 0 40 IHAB COc1ccc2[nH]c(=O)c(CN(CCCO)C(=S)Nc3cc(C)ccc3C)cc2c1 4535146 ZAJSFNCYFDDZFH-UHFFFAOYSA-N 425.554 3.735 0 40 IHAB C[C@@H](Sc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)C(=O)NCC1CCCCC1 6066932 UMQFHVQSFLZEAG-AEFFLSMTSA-N 429.586 3.753 0 40 IHAB C[C@@H]1Cc2ccccc2N1C(=O)CNc1ccc(S(=O)(=O)N2CCCCCC2)cc1 7978420 MFODWBBXQJXEMM-GOSISDBHSA-N 427.570 3.641 0 40 IHAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C/C(=O)OCc1cc(=O)n2ccsc2n1 8825578 FWZFRSIZXFYGTB-VOTSOKGWSA-N 444.875 3.799 0 40 IHAB O=C(Nc1nc2c(s1)CCC[C@@H]2C(=O)N1CCCCCC1)c1ccc2c(c1)OCO2 9103425 VZHJARFCAWJBDX-HNNXBMFYSA-N 427.526 3.947 0 40 IHAB CCN(CC)CCCNC(=O)CCN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc12 9190746 LDTCAPXIZZLRIA-RUZDIDTESA-N 432.568 3.951 0 40 IHAB O=C(Nc1nnc(CCCOc2ccccc2)s1)C1CCN(C(=O)c2ccco2)CC1 9191005 UOXMACRXQRWPQH-UHFFFAOYSA-N 440.525 3.634 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N1CC[C@H]2CCCC[C@@H]2C1 9532745 AINGYXCXHNPNST-RTBURBONSA-N 434.602 3.912 0 40 IHAB C[C@H](Sc1nnnn1Cc1cccs1)C(=O)N1CCC(Cc2ccccc2)CC1 9534585 TZLPGHVHAIHLFW-INIZCTEOSA-N 427.599 3.745 0 40 IHAB COc1cccc(CNC(=O)CSc2nccn(-c3cccc4ccccc34)c2=O)c1 9761556 ATXNIYCCDPWBBE-UHFFFAOYSA-N 431.517 3.803 0 40 IHAB O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)N(Cc1ccco1)C1=CCCCC1 9836719 BYBGYQLIZUTIOS-UHFFFAOYSA-N 429.480 3.662 0 40 IHAB O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)N1CCc2[nH]c3ccccc3c2C1 9955824 GFCHURFOEYBSRL-UHFFFAOYSA-N 432.549 3.793 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc4ccc(C)cc4s3)CC2)cc1 10337546 RUGQCVKUIJKMTG-UHFFFAOYSA-N 429.567 3.953 0 40 IHAB CC(C)c1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)COc2ccc(Cl)cc2)n1 12126245 SUIHEVQTHIXXPY-UHFFFAOYSA-N 427.892 3.627 0 40 IHAB CSCC[C@@H](NC(=O)CSCC(=O)Nc1ccccc1F)c1nc2ccccc2[nH]1 12544467 VVIMXUNNSXAFLM-GOSISDBHSA-N 446.573 3.984 0 40 IHAB O=C(CN1CCN(C(=O)Nc2ccccc2)CC1)N[C@@H](c1ccccc1)c1cccs1 12850196 WOYFGHRKLAGMMM-QHCPKHFHSA-N 434.565 3.803 0 40 IHAB Cc1sc2nc(CN3CCOCC3)nc(N(C)Cc3cnn(-c4ccccc4)c3)c2c1C 13163810 YSYGYDROFQBSGL-UHFFFAOYSA-N 448.596 3.962 0 40 IHAB CCCCN(C(=O)CNC(=O)c1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccccc1 13506167 KIQAIAAWMPTEKE-JOCHJYFZSA-N 441.597 3.907 0 40 IHAB CCOC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)c(Br)c2)c1C 13672262 ASSXYTCMKSBJSO-UHFFFAOYSA-N 428.304 3.744 0 40 IHAB CCn1c(CC(=O)Nc2ccc(C)c(C)c2)nnc1S[C@H](C)C(=O)NC1CCCC1 13956649 VXVQSBLYUQJXRC-MRXNPFEDSA-N 429.590 3.635 0 40 IHAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 14731685 HBJRBLNBOHPSSW-UHFFFAOYSA-N 449.492 3.504 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCSc1ccc(Cl)cc1 15028718 BTAWHBDXGLPSBR-UHFFFAOYSA-N 439.002 3.955 0 40 IHAB COc1cc(C(C)=O)ccc1OC[C@@H](O)CSc1nc(C2CC2)n(-c2ccccc2)n1 15239605 RKNCZWDLBMJNIL-LJQANCHMSA-N 439.537 3.888 0 40 IHAB O=C(CSc1nnc(Nc2ccccc2F)s1)NC(=O)Nc1ccc2c(c1)OCO2 16614788 YMLSHVGSCDEBHF-UHFFFAOYSA-N 447.473 3.590 0 40 IHAB COc1ccc(Br)c(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1 18045151 LDMUUXGTKPPKST-UHFFFAOYSA-N 444.251 3.834 0 40 IHAB CCc1ccc2nc(Nc3nc(CSc4nnc(C)s4)cc(=O)[nH]3)nc(C)c2c1 18266474 ZDJQIZUERLGHKU-UHFFFAOYSA-N 425.543 3.780 0 40 IHAB Cc1cccc([C@H](Cc2cc(N(C)C)nc(C3CC3)n2)NC(=O)c2cnc(C)nc2C)c1 19234465 BZFRFCUNSSRNDO-QFIPXVFZSA-N 430.556 3.849 0 40 IHAB Cc1nc(C)n(C[C@H](C)C(=O)N[C@@H](CCc2ccccc2)c2ccc3c(c2)OCCO3)n1 19285894 YSWOAUHXDORNTB-JTSKRJEESA-N 434.540 3.793 0 40 IHAB COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CN(C(=O)Cc3cccc(C)c3)CCO2)c1 19692747 QQWPETJARXDIED-HSZRJFAPSA-N 446.551 3.669 0 40 IHAB O=C(CN1CCO[C@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1)N1CCCCC1 19693156 LIJLZDKGMHIDNC-SFHVURJKSA-N 434.462 3.548 0 40 IHAB COc1c(C)cccc1CN1CC[C@@H](c2c(C(=O)N(C)CCO)sc3ncccc23)C1 19702608 ABQNFVBNXQWZJZ-QGZVFWFLSA-N 439.581 3.667 0 40 IHAB Nc1nc(N2CCCC2)nc2c1[C@H](C(=O)Nc1ccc(Oc3ccccc3)cc1)CC(=O)N2 19819983 SXQIIOCSOHTKMR-GOSISDBHSA-N 444.495 3.516 0 40 IHAB CCOC(=O)[C@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@H]1c1cccnc1 19820097 ZZOAYGHLJOESQT-YADHBBJMSA-N 426.476 3.747 0 40 IHAB CCOc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 19860742 MRYSOGTYPAQDQB-KRWDZBQOSA-N 436.961 3.919 0 40 IHAB CCN(CC)C(=O)[C@@H](C)[C@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3ccccn3)[C@@H](C)[C@@H]2[C@H]1O 20467171 AOTYVNZEUUZDSF-OAVMLCATSA-N 429.605 3.508 0 40 IHAB biogenic,in-vitro CC[C@H](NC(=O)CN(c1ccccc1Br)S(C)(=O)=O)c1ccc(C)cc1 20488951 CWLBMYLLMCFQIL-KRWDZBQOSA-N 439.375 3.791 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)c(Cl)c1 20491034 RZEXUYCLKPTBNB-UHFFFAOYSA-N 445.324 3.575 0 40 IHAB Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)NCCCOC(C)C)ccc32)cc1 20766202 HUJAFBAATFUHFP-UHFFFAOYSA-N 430.570 3.681 0 40 IHAB O=C(N[C@@H](CC(=O)N1CCN(Cc2ccccc2)CC1)c1ccccc1)c1ccccc1 21005048 WSLWGRMDBIAALD-VWLOTQADSA-N 427.548 3.892 0 40 IHAB Cc1ccc(N(CC(=O)NCCCc2ccc(OC(C)C)cc2)S(C)(=O)=O)c(C)c1 22328222 FSSHYTNLJVOKHL-UHFFFAOYSA-N 432.586 3.606 0 40 IHAB Cc1ccc(-n2ncc(C(=O)N3CCC4(CC3)OCCO4)c2-n2cccc2)cc1Cl 22520013 ZWULRHVRGZDNFU-UHFFFAOYSA-N 426.904 3.604 0 40 IHAB CCc1ccccc1NC(=O)CN1CCN(Cc2nnc(-c3ccccc3Cl)o2)CC1 22933194 YFTIQNQGRHRPJA-UHFFFAOYSA-N 439.947 3.709 0 40 IHAB Cc1nc2sc([C@H](c3cccs3)N3CCN(c4ccccc4F)CC3)c(O)n2n1 23158265 HPUZVFWPFUXLIM-KRWDZBQOSA-N 429.546 3.917 0 40 IHAB O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 23175168 AKJJRBWCDJGCJC-SPHKWJJASA-N 449.639 3.975 0 40 IHAB C[C@@H](C(=O)Nc1ccc(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)cc1)n1cncn1 25294070 PXJXYGRHXLVLCT-KRWDZBQOSA-N 439.475 3.961 0 40 IHAB COc1ccc2c(c1)CCCN2C(=O)CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1 29118991 YRZGFXIDAYRWBI-UHFFFAOYSA-N 448.489 3.601 0 40 IHAB COc1ccc(NC(=O)c2c(-c3ccc(OC)c(OC)c3)nnn2CSC)cc1OC 32611819 IXRNDESODHPQHQ-UHFFFAOYSA-N 444.513 3.552 0 40 IHAB CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[C@@H]1Cc2ccccc2C(=O)O1 32674195 BCBWDQPVYUWMKC-SFHVURJKSA-N 435.307 3.952 0 40 IHAB O=C(Nc1ccc(Br)cc1Br)[C@@H]1CCCN(c2cnccn2)C1 32777396 JSUUJPCXENHRGW-LLVKDONJSA-N 440.139 3.857 0 40 IHAB O=C(N[C@H]1CCN(Cc2ccccc2)C1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 32986405 DXEGFKLXGSXYJP-QFIPXVFZSA-N 425.960 3.583 0 40 IHAB Cc1ccccc1OCC(=O)Nc1ccccc1OCc1cc(=O)n2cccc(C)c2n1 33067841 NVFVWHMJVUDRJI-UHFFFAOYSA-N 429.476 3.908 0 40 IHAB COc1ccc2ccc(OC)c(/C=C3/SC(=O)N(CC(=O)N4CCCC4)C3=O)c2c1 33732896 OEXMGEXRFSPXMT-XDHOZWIPSA-N 426.494 3.516 0 40 IHAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 33741261 ZCIPVAKEIYYMCD-SNVBAGLBSA-N 436.839 3.673 0 40 IHAB CCC(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2Cl)nc1O 35378040 GWVOHBWJZHOJNK-UHFFFAOYSA-N 443.916 3.977 0 40 IHAB COc1ccc(N(Cc2cccs2)C(=O)CN2CCN(c3ccc(O)cc3)CC2)cc1 35400136 WLRYNGXHTKDEHB-UHFFFAOYSA-N 437.565 3.818 0 40 IHAB Cc1ccc2[nH]c3c(=O)n(CCC(=O)NCc4ccc(C(F)(F)F)cc4)cnc3c2c1 35424223 RCYAJDMAZUBHHJ-UHFFFAOYSA-N 428.414 3.912 0 40 IHAB COCCCNC(=O)CSc1nnc(-c2cc3c(s2)CC[C@H](C(C)(C)C)C3)n1C 36225392 XMUBEBCODJZMNZ-HNNXBMFYSA-N 436.647 3.939 0 40 IHAB O=C(Nc1ccc(Br)cn1)[C@H]1CC(c2cccc(Br)c2)=NO1 36615431 HRFWBTWJZGAATA-CYBMUJFWSA-N 425.080 3.738 0 40 IHAB CCN1C(=O)/C(=C/c2cn(CCOc3ccc4c(c3)OCO4)c3ccccc23)N(C)C1=S 39556415 BIBLOCJCEXPKFM-NDENLUEZSA-N 449.532 3.869 0 40 IHAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 44900105 KKVFBPPRGXZJRO-IBGZPJMESA-N 440.525 3.690 0 40 IHAB CNS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2cccc(F)c2)c2cccc(F)c2)cc1 58178705 WGFGQOTYBSBHSI-NRFANRHFSA-N 430.476 3.587 0 40 IHAB CS(=O)(=O)c1ccc(CN2CCOC[C@H]2c2nc(-c3ccc(Cl)cc3)c[nH]2)cc1 67898566 XZQCZIRGUFUVIR-FQEVSTJZSA-N 431.945 3.707 0 40 IHAB biogenic,in-vitro C[C@@H](NC(=O)COc1ccc2cc(Br)ccc2c1)c1nnc2ccccn12 69516268 HDFRTEZWUPSGES-CYBMUJFWSA-N 425.286 3.901 0 40 IHAB COc1ccc(C2=NC3(CCCCC3)N(CC(=O)NCc3ccccc3Cl)C2=O)cc1 71768920 VWXLZFMHEOBYEV-UHFFFAOYSA-N 439.943 3.957 0 40 IHAB Cc1c(C(=O)Nc2ccccc2F)nnn1-c1cccc2c1CCN(Cc1ccccn1)C2 71890373 YSZABKMBGNZHSC-UHFFFAOYSA-N 442.498 3.920 0 40 IHAB C[C@H]1C[C@@H](C)CN(C[C@@H](C)NC(=O)C2(NC(=O)OC(C)(C)C)Cc3ccccc3C2)C1 72289291 FMCKSYYAAFCCQH-CEXWTWQISA-N 429.605 3.531 0 40 IHAB CCN1CCN(C(=O)Cc2ccccc2OC)[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O 72351843 VOTIAHWUQRXWJA-XMMPIXPASA-N 443.547 3.602 0 40 IHAB CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC[C@@H]2c2cc(Nc3ccccn3)[nH]n2)CC1 72382924 JTDZMLUZXCOYQT-GOSISDBHSA-N 440.548 3.859 0 40 IHAB COCC(=O)N1CCC[C@@](Cc2cccc(-c3cccc(F)c3)c2)(C(=O)NC(C)C)C1 72391570 LQSPYRZLAAACQW-VWLOTQADSA-N 426.532 3.815 0 40 IHAB O=C(Nc1cccc(Br)c1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 89774431 JPKZEWMQFWYVJZ-UHFFFAOYSA-N 435.299 3.773 0 40 IHAB CC(C)(C)S(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2cccc(-c3ccc(Cl)cc3)c2)C1 96103454 YCDPHBJFJDCZNS-LJQANCHMSA-N 442.002 3.983 0 40 IHAB CC(=O)N/C(=C/c1ccccc1)C(=O)OCC(=O)Nc1ccccc1C(=O)c1ccccc1 104370840 ROKZNMWNVPZPAQ-XQNSMLJCSA-N 442.471 3.577 0 40 IHAB CCOc1ccc(N(CCCC(=O)N[C@H]2CCCc3ccccc32)S(C)(=O)=O)cc1 113962153 XMXSEOQQSZSRDN-QFIPXVFZSA-N 430.570 3.825 0 40 IHAB COc1ccc(OC)c(NC(=O)COC(=O)CN(Cc2ccccc2)Cc2ccccc2)c1 138646529 RWXMAQXSEBZHEA-UHFFFAOYSA-N 448.519 3.888 0 40 IHAB COc1ccc(CCNc2ccc(S(=O)(=O)NC3CCCCC3)cc2C(=O)O)cc1 217580188 XVYNZYQJLGDECP-UHFFFAOYSA-N 432.542 3.659 0 40 IHAB COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)Nc1ccc(OC(C)C)cc1)=C2C 219190085 JUGKCEFLNFKJCL-UHFFFAOYSA-N 446.525 3.640 0 40 IHAB COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)N(C)c2ccc(C)c(C)c2)CC1 222622205 VUXULUROXYHRCC-UHFFFAOYSA-N 434.533 3.515 0 40 IHAB CCOCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)C(C)C 223274104 ZFLWXKCWNZKHQC-DEOSSOPVSA-N 440.584 3.834 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc3cc(OC)ccc3c2)cc1 223674121 BXRCIPORKMSARY-UHFFFAOYSA-N 448.566 3.680 0 40 IHAB COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Br)s1 223711146 YTCSWSHSQBXKNM-HOTGVXAUSA-N 440.388 3.831 0 40 IHAB COC(=O)c1cc(NS(=O)(=O)c2cc(C(C)C)c(OC)cc2C)cc(C(=O)OC)c1 223971206 LXMIDZPMGSXVET-UHFFFAOYSA-N 435.498 3.501 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)COc3ccccc3)cc2)cc1 223987695 CMCYWNRRDFGHPQ-QGZVFWFLSA-N 440.521 3.693 0 40 IHAB CC[C@H](C(=O)NCCOc1cc(C)ccc1C)N(c1cc(C)ccc1C)S(C)(=O)=O 224035387 QTXQPQNHEHLMIK-HXUWFJFHSA-N 432.586 3.660 0 40 IHAB COC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(F)cc3)c2)c1 224174108 DJZVXPINYPRCCI-UHFFFAOYSA-N 442.468 3.690 0 40 IHAB Cc1ccc(S(=O)(=O)N(C)c2cc(C(=O)N(C)[C@@H]3CCCC[C@H]3O)ccc2C)cc1 224312331 MOFSVUTVRLOINS-IFMALSPDSA-N 430.570 3.504 0 40 IHAB CC[C@H](NS(=O)(=O)c1nnc(NC(=O)c2ccc(C)cc2)s1)c1ccccc1C 224853191 ZTADGQKNECEPAY-KRWDZBQOSA-N 430.555 3.837 0 40 IHAB CCOc1cc(CNC(=O)CCCN(c2cccc(C)c2C)S(C)(=O)=O)ccc1OC 225347845 AGZSHZQPVGQRIS-UHFFFAOYSA-N 448.585 3.573 0 40 IHAB COc1cc(C(F)(F)F)nc(NC(=S)NCC2(c3ccccc3)CCOCC2)n1 225994334 JLKJGFJWYNPDCR-UHFFFAOYSA-N 426.464 3.539 0 40 IHAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C(=O)N1CN(C(=O)c1ccccc1)c1ccc(Cl)cc1 227630700 ZFMMPPBIGVCAFH-JOLMYRCBSA-N 432.907 3.997 0 40 IHAB O=C(c1ccccc1F)N1CCc2c(O)nc([C@H]3CCN(C[C@@H]4CC=CCC4)C3)nc2C1 247798799 DSJRLLXGMSUEIF-MSOLQXFVSA-N 436.531 3.665 0 40 IHAB C[C@@H]1Cc2cc(CN3CCC[C@H]([C@H](NC(=O)[C@H]4CCCO4)c4ccccn4)C3)ccc2O1 253594337 YNDJUFYEHGEVFJ-WQTPVJRFSA-N 435.568 3.654 0 40 IHAB Cc1ccc(Oc2cccc([C@H]3CN(C(=O)c4cccc(-n5cnnc5)c4)CCO3)n2)cc1 257219862 DINVDRNDXAGIGY-HSZRJFAPSA-N 441.491 3.977 0 40 IHAB Cc1nc2cc([C@H]3CCCN3Cc3cccs3)nn2c(O)c1CCC(=O)N1CCCC1 257270765 MVOUSAYLIUGGLD-HXUWFJFHSA-N 439.585 3.697 0 40 IHAB Cc1nc([C@@H]2CCN(C(=O)[C@H](C)c3ccccc3)C2)nc(C)c1CC(=O)N1CCCCC1 257306538 SUQXHWUSODXXQG-XMSQKQJNSA-N 434.584 3.768 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1C(=O)NC1CCCCC1 408557199 MARNZEVWJDHTMD-UHFFFAOYSA-N 430.526 3.630 0 40 IHAB CCCNC(=O)C(=O)Nn1c(C(=O)Nc2ccc(Cl)cc2)cc2cc(Cl)ccc21 408610852 UQSKYJCJRNABRS-UHFFFAOYSA-N 433.295 3.797 0 40 IHAB O=C(O)COc1ccc(/C=C(\Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)O)cc1 408635016 WMXUQKWYLZJSCS-DHDCSXOGSA-N 431.857 3.806 0 40 IHAB Cc1ccc(C(=O)CN(C(=O)c2ccccc2Cl)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 408640031 ABWSTBNQJOBZON-QZTJIDSGSA-N 436.895 3.840 0 40 IHAB CCN(CC)c1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccccc3)[C@H]2c2ccccc2)cc1 409052985 FYMAEJZWVNEZKR-JWQCQUIFSA-O 441.555 3.549 0 40 IHAB COc1cc(/C=C2/N=C(c3ccc4c(c3)OCO4)OC2=O)ccc1OC(=O)c1ccccc1 409192371 BOYVCMZTBSYJEM-WOJGMQOQSA-N 443.411 3.988 0 40 IHAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)NCc2ccccc2Cl)c(Cl)c1 409271265 TWXMAIYSICXVGR-UHFFFAOYSA-N 445.368 3.623 0 40 IHAB O=C(N[C@H]1CCN(C(=O)COc2ccccc2)C1)N[C@@H](c1ccc(F)cc1)C1CCC1 511458939 DXTCDYIGUDVBHA-NZQKXSOJSA-N 425.504 3.646 0 40 IHAB Cc1c(C(=O)Nc2ccc(C(=O)N(C)C)c(Cl)c2)nnn1-c1cccc2ncccc12 521329141 RVSUDGVLTLQXAQ-UHFFFAOYSA-N 434.887 3.731 0 40 IHAB CS(=O)(=O)c1cccc([C@H](NC(=O)c2ccc(C(=O)O)cc2)c2ccc(Cl)cc2)c1 532002658 GJAJEVHCSBXGOC-HXUWFJFHSA-N 443.908 3.961 0 40 IHAB O=C(NCC(=O)N1CCC[C@]12CCCN(c1ccc(C(F)F)nc1)CC2)c1ccccc1 585100706 UGVIBAVKBYPGAB-DEOSSOPVSA-N 442.510 3.801 0 40 IHAB OC[C@@H]1[C@H](O)[C@@H](c2ccc(Cl)cc2)CN1Cc1ccc(OCC2(O)CCCCC2)cc1 585291781 CPZVIPJFOFPFMH-WXFUMESZSA-N 445.987 3.735 0 40 IHAB O=C(O)CCc1ccc2c(c1)CN(Cc1ccc(F)cc1)CC(=O)NCCCCCO2 643571571 DZOATTWOLSRFCF-UHFFFAOYSA-N 428.504 3.524 0 40 IHAB CCC(=O)N1CC[C@H]2CCC[C@@H](CN(C(=O)C[C@@H]3CCCCO3)Cc3ccccc31)N2C 643577260 CKRLPHNXNMJDJA-VJBWXMMDSA-N 441.616 3.974 0 40 IHAB C[C@H](OC(=O)CNC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1 1931551 GNPMGNCZYUPVLL-JTQLQIEISA-N 429.687 3.947 0 40 IHAB CCCc1cc(=O)oc2cc(OC(=O)[C@H](CC)NS(=O)(=O)c3ccc(C)cc3)ccc12 2096096 MOQUDWSJMGRBCK-FQEVSTJZSA-N 443.521 3.716 0 40 IHAB biogenic COc1cc(/C=C2\N=C(c3ccccc3)OC2=O)ccc1OS(=O)(=O)c1ccccc1 2180098 SIRGLJRNNHMHRC-RGEXLXHISA-N 435.457 3.807 0 40 IHAB COc1ccc(C(=O)O[C@@H]2CCCCC2=O)cc1S(=O)(=O)N1CCCc2ccccc21 2639273 UDFJJIGTXHHJIO-HXUWFJFHSA-N 443.521 3.505 0 40 IHAB C[C@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)N[C@@H]2CCCc3ccccc32)C1=O 3519345 CEUPEPLFCFCJLC-ATIYNZHBSA-N 427.504 3.801 0 40 IHAB C[C@@H]1Oc2ccc(NC(=O)CSc3nnc(C4CC4)n3Cc3ccccc3)cc2NC1=O 8753947 LNLHQHSXAHFEBW-AWEZNQCLSA-N 449.536 3.654 0 40 IHAB CCOc1ccc2nc(NC(=O)[C@H]3CC(=O)N(c4ccc(OC)cc4OC)C3)sc2c1 9095553 LHEAMGSSEWBYKF-ZDUSSCGKSA-N 441.509 3.704 0 40 IHAB Cn1c(=O)c2c(nc(SCc3ccc4ccccc4c3)n2Cc2ccccc2)n(C)c1=O 9110397 SPSYDLBJPKCYRV-UHFFFAOYSA-N 442.544 3.928 0 40 IHAB C[C@@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)c1ccc(NS(C)(=O)=O)cc1 9203449 IEDSZXBNXKCAPU-CQSZACIVSA-N 442.566 3.880 0 40 IHAB Cc1ccc(-n2c(SCc3nc(-c4ccsc4)no3)nnc2N2CCOCC2)cc1 9205795 LMFNSTRPSPHLBJ-UHFFFAOYSA-N 440.554 3.816 0 40 IHAB CC1(C)Cc2c(sc3c2c(=O)n(-c2ccccn2)c(=O)n3CCc2ccccc2)CO1 9304499 UQANRNBCJMJDFO-UHFFFAOYSA-N 433.533 3.703 0 40 IHAB O=C(NCCc1ccc2c(c1)OCCO2)c1cn(Cc2ccccc2)nc1-c1cccnc1 9377435 BSUHYCUKCZPPTB-UHFFFAOYSA-N 440.503 3.737 0 40 IHAB O=C1COc2ccc(C(=O)COc3ccc(Br)cc3Br)cc2N1 9414618 OZLCUIRQJVIKQQ-UHFFFAOYSA-N 441.075 3.804 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)NCCc2ccc(OC)cc2)c1 9613520 PHORPZXCQIJVEU-UHFFFAOYSA-N 435.615 3.563 0 40 IHAB Cc1cc(NC(=O)C2c3ccccc3Oc3ccccc32)n(-c2nc(C)c(C)c(=O)[nH]2)n1 9660390 CKLPTIUNHWRDLI-UHFFFAOYSA-N 427.464 3.757 0 40 IHAB COc1ccc(-c2nc3cnccn3c2Nc2ccc(C(=O)N3CCOCC3)cc2)cc1 9668202 JTSJWSMWHLRIKI-UHFFFAOYSA-N 429.480 3.621 0 40 IHAB C[C@H](NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)c1ccc2c(c1)OCCO2 9671811 VWEPHZFBYUPPOI-INIZCTEOSA-N 427.460 3.648 0 40 IHAB CCCC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 9713493 JRZYCIBKPSYREO-UHFFFAOYSA-N 426.542 3.870 0 40 IHAB COc1ccccc1NC(=O)c1ccc(NC(=O)COc2ncnc3sccc23)cc1 9781966 KENNAENWWNBWDS-UHFFFAOYSA-N 434.477 3.970 0 40 IHAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CSc1ncnc3sc(CC)cc13)n2CC 9791247 ORHPCSSNWUWNJD-UHFFFAOYSA-N 444.586 3.566 0 40 IHAB O=C(CCc1nnc2n(Cc3ccccc3)c(=O)c3ccccc3n12)NC1CCCCCC1 9831257 UEYDCBRYFJDIEV-UHFFFAOYSA-N 443.551 3.864 0 40 IHAB COc1ccc(CNC(=O)c2ccc(N(Cc3ccc(F)cc3)S(C)(=O)=O)cc2)cc1 10331971 NUMNVHLHGQTCRO-UHFFFAOYSA-N 442.512 3.731 0 40 IHAB CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)c1 10445564 AALFCOVUTDEMLW-UHFFFAOYSA-N 430.526 3.517 0 40 IHAB Cc1cc(Cl)c(C)c(S(=O)(=O)Oc2ccccc2C(=O)N2CCOCC2)c1Cl 10761920 UEPFDMKTGPXYFF-UHFFFAOYSA-N 444.336 3.850 0 40 IHAB O=C(CNc1ccc(NC(=O)C2CC2)cc1)Nc1ccccc1I 10943045 MFVUJHLFPCWKIG-UHFFFAOYSA-N 435.265 3.690 0 40 IHAB CNC(=O)NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2Cl)n1Cc1ccccc1 11021018 NQJURZUXBYTZQF-CYBMUJFWSA-N 429.933 3.583 0 40 IHAB Cc1cc(N2CCCC2)ccc1NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 11574959 BKJXZLGZANIYTA-UHFFFAOYSA-N 439.537 3.919 0 40 IHAB CCc1cc(C(=O)N(Cc2ccccc2)Cc2nc(N(C)C)ncc2-c2ccccn2)no1 12089222 SWTMWEJNLVSFJR-UHFFFAOYSA-N 442.523 3.998 0 40 IHAB COc1cccc(CNC(=O)COC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)c1 12550533 QNBYCYISZVQNJL-UHFFFAOYSA-N 429.476 3.816 0 40 IHAB CCN(Cc1ccc(Br)s1)S(=O)(=O)c1ccc(OC)c(NC(C)=O)c1 12767522 JLVWMLYILBNHBX-UHFFFAOYSA-N 447.376 3.688 0 40 IHAB O=C(OCC(=O)N(c1ccccc1)C1CCCCC1)c1ccc2c(=O)n3c(nc2c1)CCC3 12803921 SQMYCXVXFIRDFR-UHFFFAOYSA-N 445.519 3.865 0 40 IHAB C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C1=O 12886532 SZWUNMMTVDOSIP-DEOSSOPVSA-N 449.507 3.610 0 40 IHAB Cc1ccc(CN2C[C@@H](C(=O)N(C)CC(=O)Nc3c(Cl)cccc3Cl)CC2=O)cc1 12979938 SFZMEKWEJBFHOW-INIZCTEOSA-N 448.350 3.747 0 40 IHAB C[C@H](NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O)c1ccccc1Br 12994722 GGTGZSUIPWMTHU-OLZOCXBDSA-N 437.359 3.651 0 40 IHAB CCC(C)(C)NC(=O)[C@@H](c1ccccc1C)N(C(=O)Cn1nnc2ccccc21)C1CC1 13024302 KHMYBNZDHRLKAC-HSZRJFAPSA-N 433.556 3.777 0 40 IHAB CCCCCC(=O)N1CCC(c2nc(O)c3nnn(Cc4ccccc4Cl)c3n2)CC1 13083161 NRARBQJENVXZET-UHFFFAOYSA-N 442.951 3.915 0 40 IHAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN(C)Cc2ccc(C(C)C)cc2)c1 13097178 UYCYBHPYLLSTEP-UHFFFAOYSA-N 431.602 3.911 0 40 IHAB CCC[C@H](c1nnnn1C1CCCC1)N(CCCO)Cc1cc2cccc(C)c2[nH]c1=O 13501008 ATQMEYNULXIYPX-OAQYLSRUSA-N 438.576 3.664 0 40 IHAB Cc1c(Cl)cccc1NC(=O)CSC1=N[C@H](c2c[nH]c3ccccc23)NC(N)=N1 13579107 WNGUNUSJLRSIEZ-GOSISDBHSA-N 426.933 3.774 0 40 IHAB CC(C)[C@@H](C(=O)N1CCc2cc3c(cc2[C@H]1C)OCCCO3)N1C(=O)c2ccccc2C1=O 13592413 IYGAZHAPPDUUDM-MWTRTKDXSA-N 448.519 3.614 0 40 IHAB COc1ccc(-c2c(C)nn3c4c(nnc23)C(=O)C[C@H](c2ccccc2O)C4)cc1OC 13639333 LKTWPJAXIDDAIH-OAHLLOKOSA-N 430.464 3.735 0 40 IHAB CCOc1ccccc1C(=O)Nc1nnc([C@H]2CC(=O)N(c3ccc(OC)cc3)C2)s1 13944340 XTFQXGKDKYTAHN-AWEZNQCLSA-N 438.509 3.718 0 40 IHAB Cc1c(-c2ccccc2)oc2c(C(=O)N(C)CC(=O)NCc3ccco3)cccc2c1=O 14049856 QUECCZSEVKGFAT-UHFFFAOYSA-N 430.460 3.750 0 40 IHAB COc1ccc(-c2nnc(SCC(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)n2N)cc1 14125637 NVYOIMWMZZCNCI-HNNXBMFYSA-N 437.569 3.516 0 40 IHAB COc1ccccc1-c1nc2n(n1)[C@H](c1ccncc1)C(C(=O)Nc1cccnc1)=C(C)N2 17243772 ZOHUEQDPFIEYMT-OAQYLSRUSA-N 439.479 3.671 0 40 IHAB CC(=O)Nc1ccc(Oc2cc(C)nc([C@@H]3CCCN(C(=O)c4ccn(C)n4)C3)c2)cc1 19570312 QHFHTXPHNJIHBL-GOSISDBHSA-N 433.512 3.894 0 40 IHAB COCCNC(=O)c1sc2ccccc2c1[C@H]1CN(Cc2ccccc2F)CCO1 19697725 XQXLZLVJEAYKPC-LJQANCHMSA-N 428.529 3.990 0 40 IHAB COCc1cc(CN2CC[C@H](c3nc(C)c4c(n3)N(C)C(=O)CC4)C2)ccc1OC(C)C 19739005 HMVKPFWEMKBSKP-IBGZPJMESA-N 438.572 3.617 0 40 IHAB COc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)cc1N1CCCC1=O 19934804 SYHUOAOLRKVTDQ-UHFFFAOYSA-N 429.325 3.607 0 40 IHAB CCOc1cccc(C(=O)NC(=S)Nc2ccc(OC)c(-c3ccc(CO)o3)c2)c1 20152664 XVKMXNJMOHEJCQ-UHFFFAOYSA-N 426.494 3.973 0 40 IHAB CCOC(=O)N1CCN([C@@H](c2ccccn2)c2c(NC(C)=O)sc3c2CCCC3)CC1 20192222 RTYNKNKQRXYKMJ-NRFANRHFSA-N 442.585 3.844 0 40 IHAB COc1ccccc1CN(C)C(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O 20455432 PHWLVFSNXAUYOK-UHFFFAOYSA-N 438.977 3.862 0 40 IHAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 22605176 QCKCYVGGRZSEBL-VQHVLOKHSA-N 433.533 3.896 0 40 IHAB O=C(CN1CCOCC1)Nc1ccc(NC(=O)c2cc(C3CC3)nc3ccccc23)cc1 23012657 YNWJXZUFVZDGOP-UHFFFAOYSA-N 430.508 3.635 0 40 IHAB O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1ccc(CN2C(=O)CNC2=O)cc1 23076918 WLXMFTAEPXIBIV-QHCPKHFHSA-N 428.444 3.519 0 40 IHAB COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1c(-c2cccs2)nc2cc(C)ccn12 23409411 PCLKJRKWQOKGBN-UHFFFAOYSA-N 443.506 3.879 0 40 IHAB COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)N2CCC[C@H]2c2ccc(OC)c(OC)c2)cc1 25613423 NKJLVPQYPYSSHE-SKZXIBRJSA-N 438.524 3.594 0 40 IHAB Cc1cc(N2CCN(CC(=O)N[C@H](C)c3ccc4c(c3)CCCC4)CC2)nc(C(C)C)n1 27545595 JCBLAXBSFHCNQX-HXUWFJFHSA-N 435.616 3.787 0 40 IHAB CC(C)c1ccc(OCC(=O)NC[C@H](c2ccc(Cl)cc2)N2CCN(C)CC2)cc1 27662256 PSZQSXLFDQIIEE-HSZRJFAPSA-N 429.992 3.947 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(-n4cccn4)ncn3)cc2)cc1C 38488258 HPWVRSFTRPRQQP-UHFFFAOYSA-N 436.497 3.524 0 40 IHAB COc1cc2oc(=O)c(CC(=O)NC[C@@H]3CCCN4CCCC[C@@H]34)c(C)c2cc1Cl 43746931 PMNRCGAXPRATRG-KXBFYZLASA-N 432.948 3.687 0 40 IHAB biogenic Cc1ccc(N2CN(CC(=O)Nc3ccc(Cl)cc3)S(=O)(=O)c3cccnc32)cc1 49411455 AIERCGUYWZGJAH-UHFFFAOYSA-N 442.928 3.782 0 40 IHAB O=C1[C@H]2[C@@H]([C@H]3CO[C@@H]1O3)[C@H](C(=O)C13CC4CC(CC(C4)C1)C3)N1C=Cc3ccccc3[C@@H]21 49946771 WOZWCEATMHSNJX-XSAAZHGTSA-N 431.532 3.738 0 40 IHAB Cc1ccc([C@H](NCC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)c2ccccc2)cc1 57383275 YXDDXHUACXORDP-AZGAKELHSA-N 448.588 3.894 0 40 IHAB Cc1cc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(F)c(C)c2)no1 57428625 IEDGXQXCJULWKI-UHFFFAOYSA-N 430.486 3.922 0 40 IHAB Cc1cc(F)ccc1-n1c(=O)c2sccc2n(CC(=O)N2CCCc3ccccc32)c1=O 57493250 BBSPIMVGBZYXRQ-UHFFFAOYSA-N 449.507 3.641 0 40 IHAB COc1ccccc1NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(C)cc1 58192008 VJVBMRAZTRHHMF-QFIPXVFZSA-N 436.533 3.758 0 40 IHAB COc1cc(CCc2cc(NC(=O)c3ccc(F)c(NC(C)=O)c3)[nH]n2)cc(OC)c1 72287993 YVNKTBAJCHYAHB-UHFFFAOYSA-N 426.448 3.562 0 40 IHAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCCn1nc(-c2ccccn2)c2c1CCCC2 96121512 PKBQBDSCAHEGCG-UHFFFAOYSA-N 444.514 3.794 0 40 IHAB COc1ccc([C@H]2c3sc(=O)[nH]c3S[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]32)cc1 100818611 OHNHTPFJJGKPLR-RYRKJORJSA-N 438.530 3.549 0 40 IHAB COC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(Br)cc1 113896468 KMOIQFGRGDXCIC-UHFFFAOYSA-N 432.723 3.779 0 40 IHAB CC[C@@H](C(=O)NCc1cccc(OC(C)C)c1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 113950136 CARACTKABGPJNN-QFIPXVFZSA-N 432.586 3.952 0 40 IHAB O=C(O)c1ccc(Nc2cnn([C@@]34C[C@@H]5C[C@@H](C[C@@H](C5)C3)[C@H]4C(=O)O)c(=O)c2Cl)cc1 217503000 NQIIUJFRROHBSQ-DMCGPUGWSA-N 443.887 3.575 0 40 IHAB Cc1ccc2c(c1)[C@H](NC(=O)CCCN(c1ccccc1)S(C)(=O)=O)CC(C)(C)O2 219174534 JOWJGFNLJHAKST-HXUWFJFHSA-N 430.570 3.960 0 40 IHAB CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccc(OC)cc1 223073522 FQFUAYNWMJHGTL-OAHLLOKOSA-N 433.346 3.554 0 40 IHAB CSc1ccc(S(=O)(=O)NCCOc2ccc3ccccc3c2)cc1NC(C)=O 223644496 RQPLCQUKXKGPQR-UHFFFAOYSA-N 430.551 3.877 0 40 IHAB COc1cc(OC)cc(OCC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NCC(C)C)c1 224197290 LXBUJFVZVWMFGK-LJQANCHMSA-N 442.556 3.581 0 40 IHAB COc1ccc(Cl)cc1S(=O)(=O)N(C)Cc1nc(-c2cccc(Cl)c2)no1 224888486 AEZOENYZJYPHAT-UHFFFAOYSA-N 428.297 3.873 0 40 IHAB CC(C)(Cc1ccccc1)NC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 225099454 XTABSKMALCDAEL-UHFFFAOYSA-N 429.369 3.897 0 40 IHAB COc1cccc(N(CCCC(=O)NCc2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1 225708946 YCYFNDICBXAPDX-UHFFFAOYSA-N 444.475 3.577 0 40 IHAB COc1ccccc1-c1cc(C(=O)NC2CCN(c3cc(-c4cccs4)[nH]n3)CC2)[nH]n1 225756087 DJPIIPCAWPXHJP-UHFFFAOYSA-N 448.552 3.936 0 40 IHAB Fc1cc(Br)ccc1NC(=S)NCc1ccccc1CN1CCOCC1 225778296 JSDULPDCVGKAHK-UHFFFAOYSA-N 438.366 3.907 0 40 IHAB C[C@@]1(C(=O)Nc2ccc(OC3CSC3)cc2)CCCN(c2ccccc2)S1(=O)=O 225951301 PBZOGOPSRJQJKV-NRFANRHFSA-N 432.567 3.508 0 40 IHAB COc1cccc([C@@H]2CN(C(=O)CN3CC[C@H]4CCCC[C@H]4C3)C[C@H]2c2csnn2)c1 257215957 CSKWEIGZPNEZTK-QTPAZIJBSA-N 440.613 3.768 0 40 IHAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)cc1Cl 408561225 RLKQIKIQTWXUKD-JTQLQIEISA-N 436.839 3.673 0 40 IHAB Cc1ccccc1CNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 408615417 QDACZEIDZOZUGT-HXUWFJFHSA-N 427.504 3.917 0 40 IHAB CCCC[C@@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1)N1C(=O)c2ccccc2C1=O 408668491 UXBOKQRWIDNDNK-SFHVURJKSA-N 428.872 3.677 0 40 IHAB COc1ccc(OC)c(NC(=O)c2ccc(N3C(=O)[C@H]4[C@@H]5C[C@H](C=C5C)[C@@H]4C3=O)cc2)c1 408670699 JAYPRCGINJQSLU-XSLZUNGDSA-N 432.476 3.658 0 40 IHAB CC(=O)Nc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2C)c1 408700988 PRCRHGJBPWVCLV-UHFFFAOYSA-N 429.542 3.626 0 40 IHAB CCn1c(CNC(=O)c2ccccc2C)nn(CC(=O)Nc2ccc(C)c(C)c2)c1=S 409156525 GCTNIMZUTZZYRH-UHFFFAOYSA-N 437.569 3.928 0 40 IHAB CC(C)OC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2N)c1 409159773 ULCDUDKKLJZBTD-UHFFFAOYSA-N 445.932 3.608 0 40 IHAB Cc1cccc(NC(=O)CSc2nnc([C@H](NC(=O)c3ccccc3)C(C)C)n2C)c1 409162932 JRBOPVWLMZTAAZ-HXUWFJFHSA-N 437.569 3.981 0 40 IHAB COC(=O)c1ccccc1NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc(C)cc1 409183890 WBRHEODPRUGOMC-UHFFFAOYSA-N 438.505 3.859 0 40 IHAB COc1ccc(Nc2nc(C(=O)N3CCNC(=O)[C@H]3c3ccccc3Cl)cs2)cc1 543338394 HFOYTCCTGGTYPQ-GOSISDBHSA-N 442.928 3.862 0 40 IHAB CC1CC(C(=O)N2C[C@H](c3ccnn3C(C)C)[C@]3(CCCN(Cc4cccnc4)C3=O)C2)C1 585106456 KSVGFOMUUMQEPL-TZNSRIICSA-N 449.599 3.640 0 40 IHAB CC(C)n1nccc1[C@@H]1CN(C(=O)C2(F)CC2)C[C@]12CCCN(Cc1ccccc1)C2=O 585106470 ROWYCBDZUVHONM-GBXCKJPGSA-N 438.547 3.701 0 40 IHAB CCc1ccc(CN2CC(=O)NCCCCCOc3ccc(CCC(=O)O)cc3C2)cc1 643571492 ALNYAEHHUCDNGI-UHFFFAOYSA-N 438.568 3.947 0 40 IHAB Cc1onc(C(=O)N2CCOCCOc3ccccc3Cc3cccc(c3)C2)c1CN(C)C 643589433 SIVVKYBWVQNYPN-UHFFFAOYSA-N 449.551 3.687 0 40 IHAB Cc1ccc(S(=O)(=O)C2(C(=O)NCc3ccnc(C(F)(F)F)c3)CCCC2)cc1 1533483563 BIVLUVYFRNPEGX-UHFFFAOYSA-N 426.460 3.812 0 40 IHAB O=C(Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O)c1c(O)cccc1F 1546105466 JALUYCDAKKCLHI-UHFFFAOYSA-N 436.848 3.943 0 40 IHAB CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)/C=C/c1cccc(-c2ccc(Cl)cc2)c1 1567949608 IFWYLTHNRLHAFI-RSARBZLDSA-N 432.973 3.854 0 40 IHAB CC(C)c1ncc([C@@H]2[C@H](O)[C@@H](C(=O)NCc3ccccc3)C[C@H]2NCC2CCCCC2)[nH]1 2332241945 QTZNCAOVSOHCNF-XWVZOOPGSA-N 438.616 3.852 0 40 IHAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(I)cc3)CC2=O)cc1C 637486 QIIAXQBVDVPTIR-CQSZACIVSA-N 434.277 3.900 0 40 IHAB Cc1ccc2cc(CN(Cc3cccnc3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1C 914300 GNUNWRQGNSASOK-UHFFFAOYSA-N 433.533 3.931 0 40 IHAB O=C(CSc1nnc(NC(=O)C2CCC2)s1)Nc1ccccc1Br 1381692 FCYMWTSFYDMJRC-UHFFFAOYSA-N 427.349 3.770 0 40 IHAB CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCc3ccccc3)N3CCCCC3)cc2c1 1382253 AQPZZFCWOIWNHL-XMMPIXPASA-N 442.567 3.895 0 40 IHAB CC1=C(C(=O)Nc2cccnc2)[C@H](c2cccc(OCc3ccccc3)c2)n2nnnc2N1 1465262 ZRCGNSAQZIKJCM-QFIPXVFZSA-N 439.479 3.575 0 40 IHAB Cc1ccc(Cn2cc(-n3c(S)nnc3Cn3nc(C(F)(F)F)cc3C)cn2)cc1 2809587 NHTILJHCYHPTKW-UHFFFAOYSA-N 433.463 3.681 0 40 IHAB COc1ccc(CNC(=O)c2ccc3c(=O)n(-c4ccc(OC)cc4)c(=S)[nH]c3c2)cc1 3632354 YQPUBWNGAFRXSQ-UHFFFAOYSA-N 447.516 3.995 0 40 IHAB CCCCNC(=S)N(CCCN(CC)CC)Cc1cc2ccc(OC)cc2[nH]c1=O 4162024 YEQAJDWSTJNSBM-UHFFFAOYSA-N 432.634 3.745 0 40 IHAB C[C@@H](NC(=O)CCc1nc2ccccc2n(CCc2ccccc2)c1=O)c1ccccn1 8727165 LHZXBQJHERRJQA-LJQANCHMSA-N 426.520 3.844 0 40 IHAB C[C@H](C(=O)Nc1ccc(Br)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 8783027 QBYXNSNDXPZKOC-LLVKDONJSA-N 431.739 3.896 0 40 IHAB Cc1cc(C)c(NC(=O)CN2C(=O)N[C@](C)(c3ccc(OC(F)F)cc3)C2=O)c(C)c1 8937346 SJVXJJCLEVUBEH-JOCHJYFZSA-N 431.439 3.619 0 40 IHAB COc1ccc(-c2noc(CN(C(=O)c3ccc4c(c3)OCO4)C(C)C)n2)cc1OC 9095333 NTIDLVXGTHKGMK-UHFFFAOYSA-N 425.441 3.533 0 40 IHAB CC(C)c1ccc(-c2nnn(CC(=O)N3CCC[C@H]3c3ccc4c(c3)OCCO4)n2)cc1 9478763 RXBZYKLHOPVYKJ-FQEVSTJZSA-N 433.512 3.598 0 40 IHAB O=C(COC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)Nc1ccc(SC(F)F)cc1 9561974 XYOPQWWLTMHFMQ-OAHLLOKOSA-N 434.464 3.532 0 40 IHAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 9633588 GJLRJLHNMXBZEA-QFIPXVFZSA-N 433.533 3.989 0 40 IHAB Cc1ccc(NC(=O)CS[C@@H](C)C(=O)OCC(=O)N[C@H]2CCCc3ccccc32)cc1 9634479 XEZQOWPPRGULDB-UWJYYQICSA-N 440.565 3.792 0 40 IHAB COc1cn(CC(=O)Nc2ccc(F)cc2F)c(CSc2nc(C)cs2)cc1=O 10254625 FSFRHJFNDSWISS-UHFFFAOYSA-N 437.493 3.831 0 40 IHAB CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)c(C)c1 10447223 DFYUIWJTNSOAQM-UHFFFAOYSA-N 430.526 3.517 0 40 IHAB COc1ccc(-c2noc(CN(CC(C)C)S(=O)(=O)c3ccc(F)cc3)n2)cc1OC 10537136 PSQHPUKGTLLENH-UHFFFAOYSA-N 449.504 3.740 0 40 IHAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)CCc2ncc(-c3ccc(F)cc3)o2)c1C 12263927 MBZJSGIRLVXPFD-AWEZNQCLSA-N 442.443 3.959 0 40 IHAB COC(=O)CCn1c(C)cc(C(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)c1C 12803629 OZVYXISWTPMELS-UHFFFAOYSA-N 436.295 3.568 0 40 IHAB O=C(NCc1ccc(F)cc1)[C@H](c1ccc(Cl)cc1)N(C(=O)c1csnn1)C1CC1 12873016 CCIDBWVNSZDSTG-IBGZPJMESA-N 444.919 3.993 0 40 IHAB CC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2)cc1 13014682 BDAJSWHRRUIDTK-UHFFFAOYSA-N 437.521 3.878 0 40 IHAB CCOC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2C)c1 13649422 JCTBJTDCPMYMKA-UHFFFAOYSA-N 444.553 3.989 0 40 IHAB CC[C@@H](C(=O)NCCSCc1ccc(C)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 13715346 ALHVFORCFWEYQQ-FQEVSTJZSA-N 438.590 3.728 0 40 IHAB C[C@@H](NCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc2ccccc2c1 14123909 HWRMEAIYKJNWHU-GOSISDBHSA-N 437.565 3.914 0 40 IHAB O=C(CN1C(=O)COc2ccccc21)Nc1ccnn1Cc1cccc(Cl)c1Cl 14200662 BJSMBALIGSWENU-UHFFFAOYSA-N 431.279 3.602 0 40 IHAB CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CC=C(c2ccccc2)CC1 15940536 SXPXBPXCXJOILO-FQEVSTJZSA-N 448.585 3.542 0 40 IHAB CCOC(=O)c1c(NC(=O)CS(=O)(=O)c2ccc(F)cc2)sc2c1CC[C@H](C)C2 16048022 XJGATEIDWGXAIO-LBPRGKRZSA-N 439.530 3.601 0 40 IHAB Cc1ccc(-n2nnnc2-c2cnc(N3[C@@H](C)COC[C@H]3C)nc2-c2cccs2)cc1 16311650 QRGFGBXLXHHYNY-IYBDPMFKSA-N 433.541 3.770 0 40 IHAB COc1ccc(NC(=O)CCc2csc(NS(=O)(=O)c3ccccc3)n2)cc1OC 16848345 DELUPNHFAIYRDE-UHFFFAOYSA-N 447.538 3.532 0 40 IHAB COc1ccc(COn2c(=O)c(-c3ccc(Cl)cc3)[n+]([O-])c3ccccc32)cc1OC 16957316 JTULFJCUOBOCRW-UHFFFAOYSA-N 438.867 3.601 0 40 IHAB O=C(Nc1nc2c(F)cc(F)cc2s1)[C@H]1CCCCN1S(=O)(=O)c1cccs1 17170134 DRIGVNDCHPUVIL-GFCCVEGCSA-N 443.522 3.818 0 40 IHAB CCCN1CCN(C(=O)c2nccn2C)C[C@H](Cc2cccc(-c3cccs3)c2)C1=O 19503107 INOSHRCHOJWVSM-FQEVSTJZSA-N 436.581 3.702 0 40 IHAB CCOc1ncc([C@]2(O)CC[C@H]3CN(Cc4[nH]c5ccccc5c4C)C[C@H]32)c(OCC)n1 19531777 CAMKBURYNIVZEQ-WVFSIPRWSA-N 436.556 3.793 0 40 IHAB CCOc1ccc(CCC(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[nH]3)CC2)cc1 19533094 WZTHHYOZMWYXGM-UHFFFAOYSA-N 438.553 3.631 0 40 IHAB COc1cc2c(cc1CN1[C@H](Cc3ccccc3)C[C@@H]3NC(=O)CCCC[C@H]31)OCCO2 19713898 FJLWNPAHMBQGLH-BHIFYINESA-N 436.552 3.711 0 40 IHAB Cc1nc([C@H]2CCCN(C(=O)C(C)(C)C)C2)nc2c1CC(=O)N2CCc1ccccc1F 19744434 LCJSCSXCEHYHTD-SFHVURJKSA-N 438.547 3.808 0 40 IHAB O=C(Nc1nccs1)c1cc([C@@H]2CCN(C(=O)CN3CCCCC3)C2)nc2ccccc12 19761358 KYXAZVSMXYBOLJ-QGZVFWFLSA-N 449.580 3.745 0 40 IHAB CNc1cc(C(=O)N2CCCC[C@H]2c2ncc(C(=O)Nc3ccccc3F)c(C)n2)ccn1 19764745 ADZFYVUSVAQVDQ-FQEVSTJZSA-N 448.502 3.981 0 40 IHAB COc1ccc(CN(CCCN2CCOCC2)C(=S)Nc2ccccc2)cc1OC 20625293 OTJKNMFDYDNODU-UHFFFAOYSA-N 429.586 3.625 0 40 IHAB CCC[C@H](C)NC(=O)COc1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1 22233260 DAJLGVZKDSUURJ-INIZCTEOSA-N 438.977 3.990 0 40 IHAB C[C@@H](NC(=O)CN(Cc1ccc(Cl)c(Cl)c1)S(C)(=O)=O)c1ccc(F)cc1 22536434 ITQFATHENDMWOQ-GFCCVEGCSA-N 433.332 3.772 0 40 IHAB CCc1nc2sc([C@@H](c3cccc(OC)c3)N3CCN(c4ccccc4)CC3)c(O)n2n1 22854571 IITLMRIIKAQMHH-OAQYLSRUSA-N 449.580 3.979 0 40 IHAB O=S(=O)(NC1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1cccs1 24527874 TZTXWZLLNZJMRJ-UHFFFAOYSA-N 425.885 3.763 0 40 IHAB O=C(CNc1ccccc1C(=O)Nc1ccc(F)cc1)Nc1ccc(N2CCOCC2)cc1 24829049 AXPHRXUBMKMKEA-UHFFFAOYSA-N 448.498 3.965 0 40 IHAB CC(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@@H]3C[C@@H](NC(C)=O)[C@@H]2OC(C)=O)C1 24984161 XPIBCNBRWGFJER-SLLXAQSMSA-N 432.605 3.580 0 40 IHAB O=C(Nc1ccnn1C1CCCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 32768358 LPTPMGYBAJIUNC-MRXNPFEDSA-N 434.537 3.567 0 40 IHAB CCCCc1ccc(N2C[C@@H](C(=O)Nc3ccc(N4CCC(O)CC4)cc3)CC2=O)cc1 32913505 RVXKHJFZSRNAJN-FQEVSTJZSA-N 435.568 3.982 0 40 IHAB CCCCn1c(=O)c2sccc2n2c(CCC(=O)Nc3ccc(OCC)cc3)nnc12 35528733 SNEUHBSAHSBLGN-UHFFFAOYSA-N 439.541 3.876 0 40 IHAB COCc1nn2c(C)c(C(=O)Nc3ccccc3OC)nnc2c1-c1ccc(OC)cc1 40372610 MCHPINCYQDAXMI-UHFFFAOYSA-N 433.468 3.516 0 40 IHAB COc1ccc(OC)c(CNC(=O)[C@@H]2CCCN(c3ccc(-c4ccccc4)nn3)C2)c1 48990610 WGSSEAPMSVSBIH-LJQANCHMSA-N 432.524 3.694 0 40 IHAB COc1cc(NC(=O)N[C@@H](Cn2ccnc2)C(C)(C)C)ccc1NC(=O)c1cccnc1 58281069 WFNYHOTWPYANGP-FQEVSTJZSA-N 436.516 3.775 0 40 IHAB Cn1c(COc2ccc(C3CCCCC3)cc2)nn(CN2CCC(C(N)=O)CC2)c1=S 59472574 MQHQDUDROUFTMP-UHFFFAOYSA-N 443.617 3.733 0 40 IHAB O=C(Cn1ncn2nc(-c3cccc4ccccc34)cc2c1=O)NCc1ccc(Cl)cc1 67208560 YENSNWDQOGEHOW-UHFFFAOYSA-N 443.894 3.681 0 40 IHAB Cc1ccc(-c2csc(NC(=O)CNC(=O)[C@@H]3c4ccccc4C(=O)N3C3CC3)n2)cc1 71826929 DBSWJKXNNABGJJ-NRFANRHFSA-N 446.532 3.533 0 40 IHAB C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)c1nc2ccccc2n1C 72288897 IKYYCSWXQPEQTI-FAMPUKIQSA-N 434.584 3.958 0 40 IHAB CC(=O)N1CC[C@@H](c2c(C(=O)N3CCCN(c4ccccn4)CC3)sc3ccccc23)C1 72352609 LHQGBCLPTJKSEE-LJQANCHMSA-N 448.592 3.985 0 40 IHAB COc1cccc(-c2cncc([C@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)n2)c1 72359487 PVYXMKSTXPTQNI-KRWDZBQOSA-N 427.501 3.860 0 40 IHAB COc1cccc(OC)c1C(=O)N1CCC[C@H](c2cc(Nc3ncccn3)cc(C)n2)C1 72374884 FBJGDOILJBBPED-KRWDZBQOSA-N 433.512 3.961 0 40 IHAB COc1cc(COCC2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)cc(OC)c1 77191482 XNFBALSVRSHRDD-UHFFFAOYSA-N 433.570 3.938 0 40 IHAB CS(=O)(=O)c1ccc(Sc2nc(-c3ccccc3)cs2)c(S(C)(=O)=O)c1 83989559 WUTDEOGNPGTKJE-UHFFFAOYSA-N 425.578 3.768 0 40 IHAB CCCn1c(SCc2cnn(Cc3ccccc3)c2)nc2cc(S(N)(=O)=O)ccc21 89960701 QIKXAVKFHDGXKN-UHFFFAOYSA-N 441.582 3.631 0 40 IHAB CCCn1cc(CN2CCCN(C(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)cn1 89960715 GZGHRNGYUGVMIP-UHFFFAOYSA-N 425.455 3.932 0 40 IHAB COc1ccc(CNC(=O)C2=C(c3ccccc3)c3ccccc3N(C)S2(=O)=O)cc1 219178611 JETZZMHQQDDEFD-UHFFFAOYSA-N 434.517 3.551 0 40 IHAB COc1cccc(-c2noc(CNC(=O)[C@H](C)Oc3ccc(Br)cc3)n2)c1 219691159 ATFXDDRTHLKYAU-LBPRGKRZSA-N 432.274 3.591 0 40 IHAB COc1cc(N(CC(=O)Nc2cc(Cl)ccc2C)S(C)(=O)=O)c(OC)cc1Cl 220055445 MSUUPQSMQNBKRL-UHFFFAOYSA-N 447.340 3.724 0 40 IHAB CCOC(=O)c1ccc(C)c(NC(=O)CCCN(c2ccc(CC)cc2)S(C)(=O)=O)c1 222647852 AYDPBOTYQKIIGE-UHFFFAOYSA-N 446.569 3.919 0 40 IHAB CC[C@H](NC(=O)CN(c1cccc(OC)c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 223037795 LXKNKHWIKDFYPK-QFIPXVFZSA-N 430.570 3.608 0 40 IHAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCOc1cccc2ccccc12 223535559 SXONEVUXFBIPJJ-UHFFFAOYSA-N 438.549 3.742 0 40 IHAB Cc1ccc(C)c(OCCNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)c1 224005345 YLBKLLGJOYGBEI-UHFFFAOYSA-N 436.961 3.550 0 40 IHAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCc1ccc(OC)c(OC)c1 224173003 IYLCQKVLHALNOV-OAQYLSRUSA-N 426.557 3.888 0 40 IHAB COc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(C(=O)NCc3ccco3)c2)cc1 224349862 RKNGBLPFHUYEDT-UHFFFAOYSA-N 434.901 3.697 0 40 IHAB COc1ccc(CN(C(=O)COc2ccccc2Cl)[C@H](C)C(=O)NCC(C)C)cc1 224473513 OATOKFPCBHKISY-QGZVFWFLSA-N 432.948 3.917 0 40 IHAB O=C(Nc1nnc(S(=O)(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)s1)c1ccc(Cl)cc1Cl 224728579 BBUCOQRXMRPFMX-JRKPZEMJSA-N 447.369 3.564 0 40 IHAB CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCc1ccc2c(c1)OCCO2 225453178 GWHFBCTVHYYICU-PMACEKPBSA-N 438.568 3.765 0 40 IHAB CNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CN(C[C@H](C)c2ccccc2)CCO1 247975869 WHFVWYAFFYCGAW-IDISGSTGSA-N 429.564 3.912 0 40 IHAB O=C1CCCN1CCCNC(=O)C1(Cc2cccc(-c3cccc(F)c3)c2)CCOCC1 257234709 GUUFSTIKAJARKB-UHFFFAOYSA-N 438.543 3.961 0 40 IHAB O=C(NS(=O)(=O)c1ccccc1C(F)(F)F)c1cc(-n2cccn2)ccc1Cl 257240584 HUEWHKVAKPGSTJ-UHFFFAOYSA-N 429.807 3.663 0 40 IHAB CC(=O)NC[C@H]1CC[C@H](c2c(C(=O)NCc3nonc3C)sc3ccccc32)CC1 257247618 IZUKVFKXSAWOBY-WKILWMFISA-N 426.542 3.933 0 40 IHAB CN(C)Cc1ccc(C(=O)N2CC[C@@H]3[C@H](C2)[C@@H](c2cccnc2)CN3Cc2ccccc2)o1 257298606 RMLWPYMIBJSNTK-UBFVSLLYSA-N 444.579 3.867 0 40 IHAB COc1cccc(O[C@H]2CCN(C(=O)c3cccc(Cc4ccccc4)n3)CC[C@@H]2O)c1 257338308 YWVISRNURJKKEO-DQEYMECFSA-N 432.520 3.726 0 40 IHAB COc1ccc(C)cc1CC(=O)N1CCC[C@@H](c2n[nH]cc2C(=O)N2CCCCCC2)C1 257339897 ZDPKUFNUOJNYRA-LJQANCHMSA-N 438.572 3.692 0 40 IHAB O=C(CNC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1)Nc1cccc(Cl)c1Cl 408550779 DYHMGBLBWWWVKI-UHFFFAOYSA-N 435.094 3.994 0 40 IHAB CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCCCCC2)Cc2ccccc2)cc1 408635942 KEZBTSAUNCRXPG-UHFFFAOYSA-N 430.570 3.679 0 40 IHAB Cc1cc(OC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)ccc1N1C(=O)c2ccccc2C1=O 408642655 PIQVELQCIIFOFP-KRWDZBQOSA-N 440.455 3.754 0 40 IHAB CCc1cccc(CC)c1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 408650931 AIJFQHVZNGFVHM-KRWDZBQOSA-N 428.916 4.000 0 40 IHAB CCn1cc(C(=O)Nc2cccc(OCCN3CCCCC3)c2)c(=O)c2ccc(C)nc21 524734599 UMAGSEZVWRYOHD-UHFFFAOYSA-N 434.540 3.842 0 40 IHAB O=C(N[C@@H]1CCN(c2ncccc2Cl)C1)c1ccn(-c2ccccc2C(F)(F)F)n1 1631239926 MTTUDOLCLDVRCZ-CYBMUJFWSA-N 435.837 3.948 0 40 IHAB Cc1nc(S(=O)(=O)N(C)[C@@H](c2ccccc2)c2ccccc2Br)cn1C 1665316256 LZXILXDGNGSVAS-IBGZPJMESA-N 434.359 3.901 0 40 IHAB CC(C)OCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2ccccc2)C1=O 2093883 AXJBIEODLJXQSU-DHLKQENFSA-N 431.536 3.668 0 40 IHAB biogenic CCN(CC(=O)Nc1cccc(OC)c1)CC(=O)Nc1ccc(Br)c(C)c1 2650556 CCVGNVDYXOHKGM-UHFFFAOYSA-N 434.334 3.665 0 40 IHAB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)c3ccc(F)cc3)o2)c1 3427735 DPHCPXGEGNICKM-UHFFFAOYSA-N 449.529 3.881 0 40 IHAB CCOC(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc1 3559881 MUOIBPUFYBXROW-UHFFFAOYSA-N 436.917 3.554 0 40 IHAB COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)Nc2ccc3nc(C)sc3c2)c1OC 6143036 WGDZQYOLOAWVTA-QPJJXVBHSA-N 434.495 3.521 0 40 IHAB O=C(NCc1ccccn1)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 6191371 RXZUSOAOPXXTJW-UHFFFAOYSA-N 435.427 3.831 0 40 IHAB CCN(C(=O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)[C@H]1CCS(=O)(=O)C1 6998745 LXGWGQFAFXZUMF-IOFSEFHDSA-N 431.598 3.569 0 40 IHAB COc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 8748817 FKAZWDLOLMCKNO-MRXNPFEDSA-N 434.583 3.989 0 40 IHAB CN(Cc1cccs1)C(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 9127954 JQYVBLQSVUOIMA-UHFFFAOYSA-N 426.563 3.767 0 40 IHAB COc1cc(C=O)cc(I)c1OCC(=O)Nc1ccccc1Cl 9232106 GWRSALYPZMVEJO-UHFFFAOYSA-N 445.640 3.783 0 40 IHAB COc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2ccccc2C)cc1Cl 9238583 MEXPRQYKFDUCBR-QZTJIDSGSA-N 429.933 3.955 0 40 IHAB CCOC(=O)c1c(-c2cccs2)csc1NC(=O)CSc1nnc(N)s1 9245251 OQAVHJBPWQZZCR-UHFFFAOYSA-N 426.570 3.818 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cc(F)c(F)cc2Cl)c1 9545620 ADERPZPCFSWPJZ-UHFFFAOYSA-N 432.876 3.910 0 40 IHAB O=C(OCc1nnc(-c2ccccc2)o1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 9582784 UKBVWIVAYCWNOC-UHFFFAOYSA-N 425.872 3.986 0 40 IHAB COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3ccco3)nn2[C@H]1c1ccccn1 9602035 GCBKLIOQBJTSFB-FQEVSTJZSA-N 428.452 3.869 0 40 IHAB Cc1cccc(N2C[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3-n3cncn3)CC2=O)c1C 9670230 QROMCLXHEFWQSN-HNNXBMFYSA-N 443.429 3.895 0 40 IHAB CCCn1c(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)nc2ccccc21 9885440 ZPYAWPFCKDCTSD-UHFFFAOYSA-N 440.569 3.802 0 40 IHAB COc1ccccc1Nc1ncccc1C(=O)OCC(=O)Nc1nnc(-c2ccccc2)o1 9958947 XJLKWOKQSNFSGA-UHFFFAOYSA-N 445.435 3.679 0 40 IHAB COc1ccc(S(=O)(=O)N(CC(=O)N2CCc3ccccc32)c2ccc(C)cc2)cc1 10449214 WYCYAWUTOCQHSY-UHFFFAOYSA-N 436.533 3.788 0 40 IHAB Cc1cc(NC(=O)[C@H](C)SCC(=O)OCC(=O)Nc2c(C)cccc2C(C)C)no1 10570145 OAMCCRWYIYINOG-HNNXBMFYSA-N 433.530 3.657 0 40 IHAB CCCc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@H](c3cccs3)C(C)C)C2=O)cc1 10930817 IXQCNKRIAJHQNZ-NZQKXSOJSA-N 427.570 3.981 0 40 IHAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O 11060929 XXCPJMWLORYTFJ-UHFFFAOYSA-N 446.960 3.756 0 40 IHAB Cn1/c(=N\C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)sc2cccc(Cl)c21 11726418 ZYMPXMPHUMZEJL-LSDHQDQOSA-N 449.985 3.809 0 40 IHAB COCCn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1cn(C)nc1OC 12422672 SWUDQORVRAKJDP-UHFFFAOYSA-N 428.345 3.933 0 40 IHAB C[C@]1(c2ccccc2Br)NC(=O)N(CC(=O)Nc2cccc(Cl)c2)C1=O 12549314 VTWXQZGUPXOLNC-GOSISDBHSA-N 436.693 3.508 0 40 IHAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCc2ccc(Cl)cc2Cl)C1=O 12922238 POSPOIKFOCZQPU-HXUWFJFHSA-N 438.286 3.606 0 40 IHAB CC(C)C[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1Br)c1ccccc1 12975352 MRFIXDHBQGKUQF-QGZVFWFLSA-N 425.348 3.614 0 40 IHAB COc1ccc(C(=O)NCc2ccccc2F)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1C 13041351 GSOABEACXNIAQE-BEFAXECRSA-N 434.533 3.621 0 40 IHAB C[C@H](C(=O)Nc1ccccc1C(=O)NC1CCCCC1)N(c1ccccc1)S(C)(=O)=O 13893084 INSOGGHXSJJARO-QGZVFWFLSA-N 443.569 3.542 0 40 IHAB CN1CCN(C(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c2nc3ccccc3nc21 14180621 WKUQINOKQZVETC-UHFFFAOYSA-N 447.502 3.974 0 40 IHAB O=C(c1ccc2[nH]c3c(c2c1)CCCC3)N1CCC(NS(=O)(=O)c2cccs2)CC1 14201539 ZQGQFYFICLKWPI-UHFFFAOYSA-N 443.594 3.691 0 40 IHAB Cc1noc2nc(C3CC3)cc(C(=O)N3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)c12 14246847 MQOWBQBDQSSZDS-UHFFFAOYSA-N 448.479 3.628 0 40 IHAB CCOc1ccc(C(=O)Nc2ccc(C(=O)OCc3cc(=O)n4oc(C)cc4n3)cc2)cc1 15772212 XIGOOSRYPCIBKQ-UHFFFAOYSA-N 447.447 3.604 0 40 IHAB CCOc1cc(Br)c(CC(=O)OCc2ccc(C(N)=O)cc2)cc1OCC 16547785 UPKMQEHMRPDRQG-UHFFFAOYSA-N 436.302 3.631 0 40 IHAB Cc1nc(NC(=S)NC(=O)c2ccccc2Cl)ccc1I 17097698 KNRGRCNMCSYLAA-UHFFFAOYSA-N 431.686 3.775 0 40 IHAB CCCCOC(=O)c1ccc(NC(=O)c2cccn(OCc3cccc(C)c3)c2=O)cc1 17270576 RJPPFUVMDAQYIY-UHFFFAOYSA-N 434.492 3.995 0 40 IHAB O=C(CN1CCC(O)(CN2CCCC[C@@H]2c2cccnc2)CC1)c1ccc2c(c1)CCC2 19338378 BASPTFNXDNLBNY-RUZDIDTESA-N 433.596 3.807 0 40 IHAB CC(C)NC(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)c2ccn(C)n2)C1 19449454 JQNCFPLGJCDMDE-DEOSSOPVSA-N 436.581 3.748 0 40 IHAB Cc1c(C(=O)N2CCC(c3cc(C(F)F)n4ncnc4n3)CC2)oc2c1C(=O)CCC2 19565232 MMQZEZDPDLLGKG-UHFFFAOYSA-N 429.427 3.502 0 40 IHAB CC1CCN(CC(=O)N2CCC[C@H](c3nc(N(C)C)ncc3-c3ccccc3F)C2)CC1 19694006 YLMHMKMXPDLZBR-IBGZPJMESA-N 439.579 3.787 0 40 IHAB COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCCN(C(=O)Cc3c(C)noc3C)C2)c1 19694855 MDGWZKFCJPDAFI-IBGZPJMESA-N 449.555 3.772 0 40 IHAB COCC(=O)N1CCC(Cc2ccc(-c3cccnc3)cc2)(C(=O)N2CCCCC2)CC1 19699694 ZEEZKTFXUZDLBM-UHFFFAOYSA-N 435.568 3.559 0 40 IHAB CNC(=O)c1sc2ncccc2c1[C@H]1CN(Cc2cnn(C3CCCCC3)c2)CCO1 19703204 QNYHLCOFVXTTRN-LJQANCHMSA-N 439.585 3.931 0 40 IHAB CCCOc1ccc(N(CC(=O)NCCCc2ccc(Cl)cc2)S(C)(=O)=O)cc1 22401052 PLDHHPLZRMHKAS-UHFFFAOYSA-N 438.977 3.644 0 40 IHAB Fc1ccc([C@H](c2nnnn2C2CCCCC2)N2CCN(Cc3ccncc3)CC2)cc1 22928511 BCANXGCLMDMSQH-HSZRJFAPSA-N 435.551 3.620 0 40 IHAB COc1ccc(-c2nnc3sc(SCC(=O)c4ccc(Cl)cc4)nn3c2=O)cc1 27028933 IEQCAMNCOOLCTG-UHFFFAOYSA-N 444.925 3.850 0 40 IHAB COc1ccc(OC)c([C@H](C)NC(=O)CSc2nc(C)c(C)n2C[C@H]2CCCO2)c1 27956321 SWBGUNLZVHDFAP-MAUKXSAKSA-N 433.574 3.666 0 40 IHAB Cc1ccc(-c2nnc(CSc3nnc(N4CCCC4)n3C[C@H]3CCCO3)o2)cc1 31620529 BICDUOUMALIVIR-QGZVFWFLSA-N 426.546 3.708 0 40 IHAB COc1ccc2nc(-n3ncc4c3N=C(O)C[C@@]43C(=O)Nc4ccc(F)cc43)sc2c1 32092985 SGWGDGDUHFKVEA-NRFANRHFSA-N 435.440 3.860 0 40 IHAB COc1ccc(NC(=O)NCCC(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)cc1 32885623 JQQIMWYAUSUJHI-NRFANRHFSA-N 444.963 3.814 0 40 IHAB CN(C)[C@H](CNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1cccc(F)c1 32983597 VFIVIOUZLVSOMF-HSZRJFAPSA-N 444.510 3.617 0 40 IHAB Cc1ccc2nc(COc3ccccc3NC(=O)COc3ccccc3C)cc(=O)n2c1 33068120 QLOSQUYKNJQLFE-UHFFFAOYSA-N 429.476 3.908 0 40 IHAB CCNC(=O)c1cn(C)c(-c2nc3cc(NC(=O)C4CCCCC4)ccc3n2C)c1OC 36369844 IHOZVHFRHUHNQK-UHFFFAOYSA-N 437.544 3.856 0 40 IHAB biogenic CCOc1ccccc1-c1nc(CC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)cs1 40043338 BYSRFPLRIVTXGH-UHFFFAOYSA-N 445.566 3.654 0 40 IHAB COC(=O)c1ccc(NC(=O)Cn2cc(-c3ccccc3)c(N3CCSCC3)n2)cc1 49006552 UWSRIWSFAVIJHL-UHFFFAOYSA-N 436.537 3.529 0 40 IHAB CC(C)c1nnc2c(=O)n(CC(=O)Nc3cccc(Br)c3)c3ccccc3n12 57522598 LIQSOEZXMXWJHO-UHFFFAOYSA-N 440.301 3.569 0 40 IHAB O=C(NCCOc1ccc(Cl)cc1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 59417465 QMTKCSFGMRYRCX-ZDUSSCGKSA-N 437.721 3.651 0 40 IHAB CC[C@]1(c2ccc(NC(=O)c3cnn(-c4ccc(F)cc4)c3C)cc2)CCC(=O)NC1=O 59988775 ANNODHLJBDHLCX-XMMPIXPASA-N 434.471 3.657 0 40 IHAB CCOC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1 65060014 XOHUKYLOHPHGRZ-QGZVFWFLSA-N 445.541 3.603 0 40 IHAB CCOc1cc(C(=O)OCC(=O)N[C@H](C)c2cccc(OC)c2)cc(OCC)c1OCC 67197572 OBPAHPORXZQKGH-MRXNPFEDSA-N 445.512 3.926 0 40 IHAB CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)c3cncn3-c3ccccc3)n2)cc1 71815143 NNKMLNGRPJPEPG-UHFFFAOYSA-N 439.522 3.620 0 40 IHAB CN(C)c1ccc([C@@H](CNC(=O)[C@H](C2CC2)N2CCOCC2)c2c[nH]c3ccccc23)cc1 72300993 MDOHRWBLNHMQOL-BVAGGSTKSA-N 446.595 3.593 0 40 IHAB O=C(c1cncc(Br)c1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 90607533 KZSSZYNDXWROBD-UHFFFAOYSA-N 430.224 3.942 0 40 IHAB CCOc1cc([C@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)ccc1O 102752411 OSVXOABBDNRLRR-TZRRMPRUSA-N 444.487 3.838 0 40 IHAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1 107760472 YSXHJOFHCIVVIM-UHFFFAOYSA-N 430.457 3.653 0 40 IHAB CSc1cccc(N(CC(=O)NCCSCc2ccc(C)cc2)S(C)(=O)=O)c1 220062469 FLTBRZXHUAQEHH-UHFFFAOYSA-N 438.640 3.533 0 40 IHAB CC(C)Oc1cccc(N(CC(=O)Nc2ccc(Br)cc2)S(C)(=O)=O)c1 220100628 IBNGTHUJLZMVRJ-UHFFFAOYSA-N 441.347 3.641 0 40 IHAB COc1ccc(C)cc1N([C@@H](C)C(=O)N1CCC(Cc2ccccc2)CC1)S(C)(=O)=O 220334725 VAQIDGOFSXBNKP-IBGZPJMESA-N 444.597 3.639 0 40 IHAB COC(=O)c1cn(S(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)c2ccccc12 222653958 NGCKAMZDISQPJQ-UHFFFAOYSA-N 430.507 3.622 0 40 IHAB Cc1cc(N2CCc3ccccc3C2)nc(NC(=S)NCc2ccc3c(c2)OCCO3)n1 226015687 ZZFAFXQSGQOVKU-UHFFFAOYSA-N 447.564 3.606 0 40 IHAB O=C(c1ccc(OCC2CCOCC2)nc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 244942674 CUMPNLZWHLPQTP-UHFFFAOYSA-N 449.473 3.868 0 40 IHAB CCn1cc(CN2CCO[C@H](c3cccc(-c4cnc(N)nc4)n3)C2)c2cc(OC)ccc21 257328917 XHPPYAUMPFMLRD-DEOSSOPVSA-N 444.539 3.678 0 40 IHAB COc1ccc(N([C@@H](C)C(=O)N[C@H](C)c2cc(C)ccc2C)S(C)(=O)=O)cc1Cl 260453406 OTXGNSSQQGICDV-CVEARBPZSA-N 438.977 3.997 0 40 IHAB Cc1[nH]c2ccccc2c1/C=C1/SC(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)C1=O 409198640 CNCSPIOBDWSFDL-RGVLZGJSSA-N 449.488 3.923 0 40 IHAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)N2CCC(Cc3ccccc3)CC2)cc1 409199588 HVBIABCFLGZZQL-LJQANCHMSA-N 444.597 3.624 0 40 IHAB CCn1c(CNC(=O)c2ccccc2)nnc1SCC(=O)Nc1cccc(Cl)c1 409335137 XQZYGSXDWYHOPI-UHFFFAOYSA-N 429.933 3.612 0 40 IHAB Cc1cnn(CCOc2cccc(CN3CCC(O)(COc4ccc(F)cc4)CC3)c2)c1 585270012 AHQKIBLEDMPFAO-UHFFFAOYSA-N 439.531 3.816 0 40 IHAB C[C@H](CNC(=O)Nc1ccc2c(c1)C(=O)NC2=O)Sc1ccc(Br)cc1 598052854 FBVMKRDVCYVCQT-SNVBAGLBSA-N 434.315 3.635 0 40 IHAB COC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](O)c2ccc(-c3cccs3)s2)cc1 618256099 NCCROXZQLULZLT-CQSZACIVSA-N 438.552 3.667 0 40 IHAB COc1ccc(C(=O)N2CCC3(CC2)C[C@H](C(=O)N2CCCC2)c2ccccc23)c(OC)c1 1614937260 LOKTXNWYQGFFNH-QFIPXVFZSA-N 448.563 3.988 0 40 IHAB Cc1cc(F)ccc1S(=O)(=O)N1[C@H]2CC[C@H]1CC(n1cc(Br)cn1)C2 1775974931 XQMNVFLNXKBQRI-GJZGRUSLSA-N 428.327 3.650 0 40 IHAB CCc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)Nc3ccc(F)cc3)cc2c1 880590 RVXJZIISCYKAHI-UHFFFAOYSA-N 426.561 3.990 0 40 IHAB COc1ccc2cc(CN(Cc3cccs3)C(=S)NC[C@@H]3CCCO3)c(=O)[nH]c2c1 884794 KJHMSRJAVPJXDX-SFHVURJKSA-N 443.594 3.654 0 40 IHAB O=[N+]([O-])C(C(Cl)=C(Cl)Cl)=C(n1nnc2ccccc21)n1nnc2ccccc21 1509994 IJMIRMDQNPQEDL-UHFFFAOYSA-N 436.646 3.830 0 40 IHAB COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OC(C)C)c(OC)c2)N1C(C)=O 2087729 ROVKXANRMCNNOH-HYBUGGRVSA-N 436.508 3.999 0 40 IHAB biogenic CCCOc1ccccc1N1C(=O)C[C@H](N2CCN(c3cccc(Cl)c3)CC2)C1=O 3331364 ZBNMDURHKOPPBE-FQEVSTJZSA-N 427.932 3.583 0 40 IHAB CCOC(=O)CCCNC(=O)COC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12 3391160 XXYCCUMITGPYSL-UHFFFAOYSA-N 434.492 3.827 0 40 IHAB C[C@@H](OC(=O)CSCC(=O)Nc1ccc(Cl)cc1)C(=O)N1[C@H](C)CCC[C@H]1C 4951325 YXRHBPUTSUELOS-RBSFLKMASA-N 426.966 3.733 0 40 IHAB COc1ccccc1[C@@H](C(=O)NC1CCCC1)N(C(=O)c1csnn1)c1ccccc1 6298661 XVAMHAAEAOHQGR-NRFANRHFSA-N 436.537 3.994 0 40 IHAB Cc1ccc(-c2nn(CC(=O)NCc3ccc(F)cc3)c(=O)c3nc(C)sc23)c(C)c1 8955800 ICQHMSCLUJAHNP-UHFFFAOYSA-N 436.512 3.901 0 40 IHAB Cc1ccc(-c2nnc(SCC(=O)N(C)[C@H](C)c3nc4ccccc4s3)n2N)cc1 9056258 VYUBUNOMDWZXNI-CQSZACIVSA-N 438.582 3.889 0 40 IHAB CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)Nc2cccc3cccnc23)c1 9223624 KBYFDWGEEYCIAP-UHFFFAOYSA-N 438.553 3.728 0 40 IHAB CC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cccc4ccccc34)cc2)CC1 9426139 IGFBRXURJMJYAP-UHFFFAOYSA-N 432.549 3.635 0 40 IHAB Cc1ccc(C(=O)O[C@@H](C)C(=O)NC(=O)NC2CCCCC2)cc1NC(=O)c1ccco1 9508865 DJJVYRQHOGGBQT-HNNXBMFYSA-N 441.484 3.544 0 40 IHAB O=C(Cc1cn2ccsc2n1)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 9643167 UBDQGJWMTJRHPL-UHFFFAOYSA-N 430.486 3.517 0 40 IHAB CC(=O)c1cc2c(cc1NC(=O)c1nn(Cc3ccccc3)c(=O)c3ccccc13)OCO2 9663662 NQBHHAXTXYHPAC-UHFFFAOYSA-N 441.443 3.628 0 40 IHAB O=C(Nc1nc2c(s1)Cc1ccccc1-2)[C@H]1CCCCN1S(=O)(=O)c1cccs1 9664122 LKNLGDURMQKEEO-OAHLLOKOSA-N 445.591 3.958 0 40 IHAB COc1ccc(NC(=O)CSc2nccn(-c3ccc(C)c(Cl)c3)c2=O)cc1OC 9761432 AIKWCFWQTIVFLF-UHFFFAOYSA-N 445.928 3.942 0 40 IHAB O=C(CCc1nc(-c2cccs2)no1)Nc1ccc2nc(N3CCOCC3)sc2c1 9783171 AQQVVPMWGLYULB-UHFFFAOYSA-N 441.538 3.816 0 40 IHAB CC(C)[C@@H](NC(=O)CSc1nnc(-c2ccco2)n1C)c1ccc2c(c1)OCCCO2 9796915 UHBGLXZXVWLOKD-HXUWFJFHSA-N 442.541 3.842 0 40 IHAB Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 9859157 MZYGDRXEDYOFLY-UHFFFAOYSA-N 443.550 3.534 0 40 IHAB CC(=O)Nc1ccc(NC(=O)c2cc3cccnc3n(Cc3ccccc3F)c2=O)cc1 10188169 TXTYSENSNLNSFO-UHFFFAOYSA-N 430.439 3.795 0 40 IHAB O=C(NCCCN1CCCC1)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 10450120 DFNUPWNPOQDQFW-RUZDIDTESA-N 437.609 3.719 0 40 IHAB CC(=O)c1cccc(S(=O)(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)c1 10626000 JZDWBHJZMVCGQT-UHFFFAOYSA-N 431.901 3.946 0 40 IHAB O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)NCc1ccc(OC(F)F)cc1 11506085 RKDJHKKCBGGSSN-UHFFFAOYSA-N 433.480 3.714 0 40 IHAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3cn(C)c4ccccc34)CC2)c1C 12555660 JOOWEHXAYFGBSM-UHFFFAOYSA-N 439.581 3.559 0 40 IHAB CN(Cc1ccc2c(c1)OCCO2)C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 12582392 CPJJGCNMMKSMRA-UHFFFAOYSA-N 426.476 3.978 0 40 IHAB CN1CCN(c2ccc(NC(=O)C3CCN(C(=O)c4ccc(Cl)cc4)CC3)cc2)CC1 12641774 VAONEKWSMXRJJB-UHFFFAOYSA-N 440.975 3.583 0 40 IHAB Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)c(C)c1 12700686 XXVXPNKFQXNWML-UHFFFAOYSA-N 437.565 3.549 0 40 IHAB C[C@H]1CN(Cc2csc(NC(=O)c3cccc(NC(=O)C(C)(C)C)c3)n2)C[C@@H](C)O1 12778396 CUKXQQBGRAJYOS-GASCZTMLSA-N 430.574 3.989 0 40 IHAB C[C@H](Oc1ccc(F)cc1)c1nnc(SCc2cccc(S(=O)(=O)N(C)C)c2)o1 12939437 HHHDIFZAHZXOQI-ZDUSSCGKSA-N 437.518 3.891 0 40 IHAB CCOc1ccc(NC(=O)Cc2ccc3c(c2)CCC3)cc1S(=O)(=O)N1CCCC1 13164543 FFUIZHNHLDQEON-UHFFFAOYSA-N 428.554 3.540 0 40 IHAB CN(c1ccccc1)S(=O)(=O)c1nnc(NC(=O)C23CC4CC(CC(C4)C2)C3)s1 13370265 GIPPJLQGCNSCRF-UHFFFAOYSA-N 432.571 3.518 0 40 IHAB COc1cc([C@H]2CC(=O)Nc3nc(SC)[nH]c(=O)c32)ccc1OCc1ccccc1C 13567342 KILYYLMLMMOSTA-MRXNPFEDSA-N 437.521 3.862 0 40 IHAB COC(=O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2OC)C3=O)c1 13945747 JXQBKTOSBJXXOR-UHFFFAOYSA-N 430.416 3.535 0 40 IHAB CCC1=Nc2ccccc2N=C(NC(=O)CSc2nnnn2C)[C@H]1c1ccc(F)cc1 14608086 QUYQIIULGWNUNJ-IBGZPJMESA-N 437.504 3.568 0 40 IHAB Cc1cc(NC(=O)CCS(=O)(=O)c2ccc(F)cc2)n(-c2nc3ccccc3s2)n1 16851032 KJRZRASTMMHIET-UHFFFAOYSA-N 444.513 3.732 0 40 IHAB C[C@@H](C(=O)N1CCC[C@@H](c2nc(-c3cccs3)cc(C(F)(F)F)n2)C1)n1cncn1 19078429 KWBSYVDEWSIWSU-QWHCGFSZSA-N 436.463 3.783 0 40 IHAB CC(=O)N(C)C1CCC2(CC1)CN(C(=O)c1cn3ccc(C)cc3n1)Cc1ccccc1O2 19238184 RLXAQGPZMZJOJL-UHFFFAOYSA-N 446.551 3.837 0 40 IHAB COc1cc(CN2CCC[C@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)c(Cl)cc1O 19594927 CRLOVLSYBDZEBY-LBPRGKRZSA-N 445.368 3.886 0 40 IHAB CC(=O)N1C[C@H](c2ccc(CN(C)C/C(C)=C/c3ccccc3)cc2)[C@@H](C(=O)N(C)C)C1 19699187 MXARSUUUAVICPV-UNCOXZGGSA-N 433.596 3.872 0 40 IHAB COc1ccc(CNC(=O)[C@H]2CN(Cc3ccc(OC(C)C)cc3)Cc3cn(C)nc32)cc1 19701535 ZSXHXSQAQJLOEU-DEOSSOPVSA-N 448.567 3.632 0 40 IHAB Cc1ccc(CN2C(=O)CCc3c(C)nc([C@@H]4CCCN4Cc4cnn(C)c4)nc32)cc1 19741901 UMQSOAVOORXNDK-QFIPXVFZSA-N 430.556 3.643 0 40 IHAB Cc1nc([C@H]2CCCN(Cc3c(-c4ccccc4)nn(C)c3C)C2)ncc1C(=O)N(C)C 19763086 ACMSVUYSSCJYOB-FQEVSTJZSA-N 432.572 3.575 0 40 IHAB COc1cc(OC)cc(C(=O)Nc2nc(-c3ccc4c(c3)NC(=O)[C@@H](C)O4)cs2)c1 19796548 OQVQWFJVGIXRPF-LLVKDONJSA-N 425.466 3.799 0 40 IHAB CCC[C@H](C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(Cl)c1 20006455 VJWBNAFZCYZTIU-KXBFYZLASA-N 438.977 3.543 0 40 IHAB COc1ccc([C@H](C)NC(=O)C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1 20018014 PIUKYMGOFWFMMN-IBGZPJMESA-N 444.597 3.899 0 40 IHAB COC(=O)[C@H](N[C@@H]1C2=C(CCCC2)C(=O)N1C1CCCCC1)c1ccc(OC)c(OC)c1 20149709 NVIRVLKCEMVQSW-PKTZIBPZSA-N 442.556 3.879 0 40 IHAB CN1C[C@@H](NC(=O)c2ccc(C(C)(C)C)cc2)C[C@H]1c1nc(-c2ccc3c(c2)OCO3)no1 20464382 LZYYPFXRSQJCSB-OALUTQOASA-N 448.523 3.938 0 40 IHAB biogenic,in-vitro Cc1cc(=O)c(C(=O)NCc2ccccc2CN(C)C)nn1-c1ccccc1C(F)(F)F 21938428 SYCXQWKFDIDEFY-UHFFFAOYSA-N 444.457 3.551 0 40 IHAB CCn1c(S[C@@H](C)C(=O)NC[C@H]2CCCO2)nc2scc(-c3ccccc3)c2c1=O 23079947 IYLNXCOAEWILIJ-GOEBONIOSA-N 443.594 3.921 0 40 IHAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCN(Cc2nc3ccccc3s2)CC1 23995917 WYJSVQSGZPUGKX-QFIPXVFZSA-N 446.576 3.905 0 40 IHAB O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCCSc1ccccc1 26396655 MELDSPIJUPIUDN-UHFFFAOYSA-N 444.553 3.930 0 40 IHAB CCCS(=O)(=O)c1ncc(Br)c(C(=O)Nc2ccc3ccccc3c2)n1 27794759 DXLZCEAFWJBRJE-UHFFFAOYSA-N 434.315 3.828 0 40 IHAB O=C(N[C@H]1CCCc2ccccc21)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 30865821 UCOJLOLKAIHBSZ-XUZZJYLKSA-N 448.544 3.837 0 40 IHAB CCOc1cc(C(=O)Nc2nc(-c3c[nH]c(C(N)=O)c3)cs2)cc(OCC)c1OCC 30982060 DODMMWVXJLHSBV-UHFFFAOYSA-N 444.513 3.686 0 40 IHAB CC[C@H](C)c1ccc(NC(=S)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1 32579157 BVQNEVWWIHGZBL-KRWDZBQOSA-N 446.642 3.945 0 40 IHAB O=C(O)c1cc(S(=O)(=O)Nc2ccc(Br)cc2)c(Br)s1 32585454 VUMHVOOYJOUEAB-UHFFFAOYSA-N 441.122 3.772 0 40 IHAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)OCCCCN1C(=O)c2ccccc2C1=O 32776467 UVGXWDGUFHGOID-JOCHJYFZSA-N 432.476 3.570 0 40 IHAB Cc1ccc(Oc2ccc(Cl)cc2NC(=O)CCn2cnc3c(cnn3C)c2=O)cc1 32879154 INZYWCCVNVHBRG-UHFFFAOYSA-N 437.887 3.913 0 40 IHAB CCN(CC)c1nc2ccsc2c(=O)n1CCC(=O)NCCc1c[nH]c2ccccc12 33308881 SFRJONRLLLOJRW-UHFFFAOYSA-N 437.569 3.535 0 40 IHAB CC(C)(C)C(=O)/C=c1\s/c(=C/c2ccccn2)c(=O)n1Cc1ccc(Cl)cc1Cl 33632096 MPXRUDJADPFGKV-KHTMQZBTSA-N 447.387 3.884 0 40 IHAB CC(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2ccc(Cl)cc2)nc1O 35377925 OIRYJNBECVLTAA-UHFFFAOYSA-N 429.889 3.587 0 40 IHAB CNC(=O)c1cn(C)c(-c2nc3cc(NC(=O)Nc4ccccc4)ccc3n2C)c1OC 36369829 WJTCDMYWRHYSLM-UHFFFAOYSA-N 432.484 3.591 0 40 IHAB biogenic O=C(Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1)c1cc(-c2ccc(F)cc2)n[nH]1 38486343 VKWFKVOYZFGXKF-UHFFFAOYSA-N 444.470 3.762 0 40 IHAB CCOc1ccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)cc1 38834382 MXSYPXACFKGWEE-HXUWFJFHSA-N 432.542 3.549 0 40 IHAB Cc1ccc2c(=O)c(C(=O)Nc3ccc(F)cc3)cn(CC(=O)Nc3ccccc3)c2n1 49002067 VXBSFDMSLORXBA-UHFFFAOYSA-N 430.439 3.735 0 40 IHAB CC[C@@H]1CCCCN1C(=O)Cn1c(=O)n(Cc2ccc(C)c(C)c2)c(=O)c2sccc21 57426969 FPLLTVJUMTVSSF-LJQANCHMSA-N 439.581 3.681 0 40 IHAB CCOC(=O)[C@H]1CCCN(C(=O)Cn2cccc2-c2nc(-c3ccc(Cl)cc3)no2)C1 57486740 OGAIMAZCMQTATC-INIZCTEOSA-N 442.903 3.660 0 40 IHAB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1 59132891 FSKSQXJWEDJKFW-UHFFFAOYSA-N 432.523 3.605 0 40 IHAB COc1cc(OC)c(NC(=O)c2ccc(S(=O)(=O)CC(F)(F)F)cc2)cc1Cl 72306874 WEUZDHBIJAGCRJ-UHFFFAOYSA-N 437.823 3.946 0 40 IHAB CN(C)S(=O)(=O)c1ccc(COc2cccc(-c3nc4cc(F)ccc4n3C)c2)o1 78991498 HVZXSGXDHTZWFM-UHFFFAOYSA-N 429.473 3.802 0 40 IHAB COc1ccc(CCC(=O)N2CCN(c3ccc(F)cc3Cl)CC2)c(OC)c1OC 89435081 YFQAIKSFBQVOJG-UHFFFAOYSA-N 436.911 3.786 0 40 IHAB CCCOC(=O)c1ccc(S(=O)(=O)Nc2c(C)ccc(Cl)c2C(=O)OC)cc1 95944149 MXUPADRMGJTCIY-UHFFFAOYSA-N 425.890 3.803 0 40 IHAB COc1cccc(N2C(=O)C[C@H](c3c(C)nn(-c4nc5ccccc5s4)c3O)C2=O)c1 100068879 BQZMYPZJBIZVKS-OAHLLOKOSA-N 434.477 3.552 0 40 IHAB COc1ccccc1[C@H]1c2ccc(O)cc2Oc2ncn(CCCn3ccnc3)c(=N)c21 101365185 LSJNRPCNJCIMNG-NRFANRHFSA-N 429.480 3.649 0 40 IHAB Cc1ccc(Cl)cc1NC(=O)CSC(=S)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2 113481147 GAWXOOSDAWRQEC-HUUCEWRRSA-N 448.013 3.886 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)[C@H](C)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O 220354458 PJVWAUIQGZYNEJ-AWEZNQCLSA-N 438.933 3.618 0 40 IHAB Cc1ccc(N([C@H](C)C(=O)NCc2cccc(OC(C)C)c2)S(C)(=O)=O)cc1Cl 220367313 GVTCASZWBKIODT-MRXNPFEDSA-N 438.977 3.907 0 40 IHAB CC[C@@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccccc1OC 223328747 DIDSBSNGUIKXQD-KRWDZBQOSA-N 439.339 3.934 0 40 IHAB CSc1cccc(N(CC(=O)NCCOc2ccc3ccccc3c2)S(C)(=O)=O)c1 223630410 PCQOQBJTPQGJBP-UHFFFAOYSA-N 444.578 3.523 0 40 IHAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)C1 224185817 WXBJQYCMVUZKJF-HDICACEKSA-N 449.642 3.671 0 40 IHAB Cc1ccc(CSCCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1 224986142 QLDNWEZSHCFBRX-UHFFFAOYSA-N 430.595 3.506 0 40 IHAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=S)N[C@@H](C)CCc1ccccc1 225210822 KTEMEDGNPZCFCR-KRWDZBQOSA-N 447.626 3.787 0 40 IHAB COCCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CCC(=O)Nc1ccccc1 225526000 GUUYWHPUQLYULH-XZOQPEGZSA-N 449.580 3.531 0 40 IHAB O=c1sc2cc(S(=O)(=O)NCCCOC3CCCC3)ccc2n1Cc1ccccc1 225749707 IUHUTXXYNZFNKB-UHFFFAOYSA-N 446.594 3.739 0 40 IHAB C[C@H]1CCCCN1c1cc(N2CCCCCC2)nc(NC(=S)NC[C@@H]2CCCO2)n1 225908610 YNJGMJJXUBQITO-ROUUACIJSA-N 432.638 3.701 0 40 IHAB Cc1nn(CC(=O)Nc2ccc(CC[C@@H]3CCN(C)C[C@H]3C)cc2)c(=O)c2ccccc12 248145603 RULPXBDYRYYQOF-WIYYLYMNSA-N 432.568 3.864 0 40 IHAB Cc1nc2cc([C@@H]3CCN(Cc4ccccn4)C3)nn2c(C)c1CCC(=O)NC(C)(C)C 257327055 WZSDXGLUIQKFQZ-LJQANCHMSA-N 434.588 3.578 0 40 IHAB Cc1ccc(Cl)c(OC[C@@]2(O)CCCN(CC(=O)NCc3ccc(F)cc3)CC2)c1 257328421 XFOQFUPLKGXDMN-HSZRJFAPSA-N 434.939 3.700 0 40 IHAB C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1ccccc1Br 408550163 AQGFBFOIBWRLNU-ZDUSSCGKSA-N 433.327 3.908 0 40 IHAB COc1ccc(OC)c(NC(=O)[C@@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c1 408559150 UMHDYUGTQNDAIK-LLVKDONJSA-N 447.340 3.804 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCCCCC3)CC2)cc1Cl 408584592 RTIMAYUYNNSDIF-UHFFFAOYSA-N 443.009 3.978 0 40 IHAB COC(=O)CN1C(=O)S/C(=C/c2ccc(OCC(C)C)c(Br)c2)C1=O 408600953 HROHYHYDRCJTQG-VGOFMYFVSA-N 428.304 3.693 0 40 IHAB CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)NCCSc1ccccn1 408728290 ZCTDIAWGDMXIPM-UHFFFAOYSA-N 441.578 3.570 0 40 IHAB O=C(c1ccccc1-c1ccc(C(F)(F)F)cc1)N1[C@H]2C[C@H]3[C@H]([C@@H]2O)[C@@H]2C[C@H]3[C@H](O)[C@@H]21 583310686 PUVOXYPUFXCIDU-POJYWYIMSA-N 429.438 3.573 0 40 IHAB O=C(CCOc1ccccc1Cl)NC[C@H]1OCCc2cn(Cc3ccccc3)nc21 585112499 QHXOVEATFKCBQY-OAQYLSRUSA-N 425.916 3.784 0 40 IHAB Cc1cccc2cc(CN(Cc3cccnc3)Cc3nnnn3C3CCCCC3)c(=O)[nH]c12 926309 OEKRPRFRJJRHSO-UHFFFAOYSA-N 443.555 3.926 0 40 IHAB O=C(CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1)NCc1ccccc1 1015627 SUHPNXACCYLFCY-UHFFFAOYSA-N 446.931 3.986 0 40 IHAB Cc1cc2cc([C@H](c3nnnn3CCc3ccccc3)N3CCCCC3)c(=O)[nH]c2cc1C 1362225 PAVBQTCMPZYPOW-XMMPIXPASA-N 442.567 3.949 0 40 IHAB Cc1cc(NC(=O)NC(=O)c2ccccc2N)ccc1Oc1ncc(Br)cn1 1630712 ORIPEOKULFJBFK-UHFFFAOYSA-N 442.273 3.884 0 40 IHAB O=C(Nc1ccc(OC(F)(F)F)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1 2602307 JXJRJZAWVYIILO-UHFFFAOYSA-N 434.461 3.686 0 40 IHAB CCn1c(SCC(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)nnc1-c1ccco1 3389058 IISSNOKSMQMKTK-LLVKDONJSA-N 445.570 3.574 0 40 IHAB CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Br)cc2F)c1 3611569 BSMHQEMNDVRHMI-UHFFFAOYSA-N 429.311 3.871 0 40 IHAB Cc1cccc2cc([C@@H](c3nnnn3Cc3ccccc3)N3CCCCCC3)c(=O)[nH]c12 6443865 ODMPQAOMWNMVLW-QHCPKHFHSA-N 428.540 3.837 0 40 IHAB O=C(CSC1=NS(=O)(=O)c2cc(F)ccc2N1)Nc1ccc(C(F)(F)F)cc1 9761999 HYDPCRKNXOVDKD-UHFFFAOYSA-N 433.408 3.687 0 40 IHAB COC(=O)c1ccc2c(=O)[nH]c(CSc3nnc(-c4c[nH]c5ccccc45)o3)nc2c1 9964004 DLOPXFOKWHEAJM-UHFFFAOYSA-N 433.449 3.533 0 40 IHAB CCOC(=O)c1ccc(NC(=S)N2CCC(c3n[nH]c(-c4ccccn4)n3)CC2)cc1 10078930 ZOIAIPBPNUEHNZ-UHFFFAOYSA-N 436.541 3.620 0 40 IHAB COc1ccccc1O[C@H](C)C(=O)N1CCC[C@H](c2nc3ccccc3cc2C(N)=O)C1 12219716 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C[C@@]1(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)Cc2ccccc2C(=O)O1 24049263 NIVQNAYNEQIGSB-SANMLTNESA-N 428.488 3.769 0 40 IHAB CCN(CC)CCOc1ccc(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1 24759134 WTIRONXBGXKGGX-UHFFFAOYSA-N 426.485 3.656 0 40 IHAB O=S(=O)(c1ccc(C2CCCCC2)cc1)N1CCN(Cc2nccn2C(F)F)CC1 31592799 OJXWPMSHWQCQSK-UHFFFAOYSA-N 438.544 3.832 0 40 IHAB COc1ccc(CN(C(=O)N(C)Cc2ccccc2)S(=O)(=O)c2cccnc2)cc1 32616667 OINOZTCECPOAEU-UHFFFAOYSA-N 425.510 3.533 0 40 IHAB Cc1cc(C)cc(NC(=O)CN(c2ccc(Br)c(C)c2)S(C)(=O)=O)c1 33645513 UFAYSJBQYCXEPS-UHFFFAOYSA-N 425.348 3.779 0 40 IHAB Cc1nn2c(nnc3c(=O)n(-c4ccccn4)ccc32)c1-c1ccc(Br)cc1 38828550 GSQFOENMORCAFU-UHFFFAOYSA-N 433.269 3.561 0 40 IHAB CCOc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1cc(OC)ccc1OC 40485057 FJCBZXCJGJWFIF-NRFANRHFSA-N 435.484 3.622 0 40 IHAB COc1ccc(-c2noc(-c3cccn3CC(=O)Nc3ccc(N(C)C)cc3)n2)cc1OC 57487147 UGNJOHFOSOSXMC-UHFFFAOYSA-N 447.495 3.927 0 40 IHAB Cc1ccc(C)c(-n2c(=O)c3sccc3n(CC(=O)N[C@@H]3CCc4ccccc43)c2=O)c1 57492796 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COCCC(=O)N1CCC[C@](O)(c2nc(C)c(COc3ccc(Cl)cc3)s2)CC1 257293720 QQWFLPBPBJLHAS-OAQYLSRUSA-N 438.977 3.921 0 40 IHAB COc1ccc(N([C@@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)S(C)(=O)=O)cc1 260455471 VGMPAUHOMDIJHB-JXFKEZNVSA-N 446.569 3.577 0 40 IHAB O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl)Nc1ccc(F)cc1 408590956 IDFXXWMPUFELPT-UHFFFAOYSA-N 426.897 3.718 0 40 IHAB COc1ccccc1NC(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 409028220 JLSJXNMFOIWFSU-UHFFFAOYSA-N 440.521 3.846 0 40 IHAB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cccnc3)C2=O)ccc1Cl 409164270 FVZGOKGJCXPKLC-LZYBPNLTSA-N 445.884 3.587 0 40 IHAB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(NC(C)=O)cc3)C2=O)cc1 409164420 IGCAYRYAMHMZSG-UNOMPAQXSA-N 439.493 3.719 0 40 IHAB C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)NCCCc1nc2ccccc2[nH]1 523153553 OQTJINYDORFYCH-SFHVURJKSA-N 448.571 3.812 0 40 IHAB C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1C(=O)CCn1cnc2ccccc2c1=O 552837429 OMYAWHIHOWFHKZ-FOIQADDNSA-N 445.441 3.794 0 40 IHAB 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RONHOBVUIAZUDV-NTEUORMPSA-N 436.581 3.662 0 40 IHAB O=C(CN1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21)N1CC=C(c2ccccc2)CC1 8709142 RIBHAMZHZVQKSO-VWLOTQADSA-N 445.563 3.582 0 40 IHAB COC(=O)c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4C)[C@H](c4cccs4)[C@H]3C2=O)cc1 8763809 JYKHCZXIQIKLBM-NJDAHSKKSA-N 448.500 3.894 0 40 IHAB Cc1cc(C)c2c(n1)sc1c(=O)n(CC(=O)OCC(=O)c3ccc(Cl)s3)cnc12 8780508 WHFACSJHEWBKEW-UHFFFAOYSA-N 447.925 3.764 0 40 IHAB COc1ccc(-c2noc(CCCCCNC(=O)c3ccc(Cn4cncn4)cc3)n2)cc1 9049793 NTCLAEJLGLTUKN-UHFFFAOYSA-N 446.511 3.528 0 40 IHAB O=C(Cn1ccn2nc(-c3ccccc3)cc2c1=O)Nc1ccc(Br)cc1F 9321044 IJKWTDGHJOZLRF-UHFFFAOYSA-N 441.260 3.703 0 40 IHAB CC(C)N1CCc2c(sc(NC(=O)COc3ccc(Cl)cc3Cl)c2C(N)=O)C1 9390610 OGSMFTIAQRIQCD-UHFFFAOYSA-N 442.368 3.938 0 40 IHAB CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC(=S)Nc1cccnc1 9444923 JMGMXYSYFQRPNU-UHFFFAOYSA-N 435.619 3.767 0 40 IHAB O=S(=O)(Nc1cccc(Cl)c1)c1ccc(O)c(NS(=O)(=O)c2cccs2)c1 9493774 ADOQXHQUQDVOBJ-UHFFFAOYSA-N 444.943 3.709 0 40 IHAB COc1ccc(Cl)cc1NC(=O)COC(=O)CCCC(=O)Nc1ccc(C(C)=O)cc1 9526026 RPCNQJXAIURGAT-UHFFFAOYSA-N 446.887 3.842 0 40 IHAB CC(=O)c1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 9632724 UETCWIJUADUQOH-UHFFFAOYSA-N 444.553 3.862 0 40 IHAB CCOc1ccc2nc(S[C@H](C)C(=O)Nc3ccc(N4CCOCC4)cc3)[nH]c2c1 9670047 ZHVWWHDRRUREMU-OAHLLOKOSA-N 426.542 3.918 0 40 IHAB Cc1ccc([C@@H](NC(=O)CSc2nnnn2Cc2ccco2)c2cccs2)cc1 11681199 RPATVRJGOLKNHA-LJQANCHMSA-N 425.539 3.682 0 40 IHAB CCOC(=O)[C@]1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCCN(C(=O)c2cccnc2)C1 12156762 YBJMGVQZGIFEOP-RDPSFJRHSA-N 439.487 3.590 0 40 IHAB CCOc1c(Br)cc(C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)cc1OC 12907724 QRGAVZWBYJMJLZ-ZDUSSCGKSA-N 445.317 3.928 0 40 IHAB CSc1ccc(C)c(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c1 13014713 XMYVPSPHFLLAEM-UHFFFAOYSA-N 431.004 3.579 0 40 IHAB COCCn1nnnc1[C@@H](c1ccc(Cl)cc1)N1CCN(c2cccc(C)c2C)CC1 13504235 IYSOJJAFZJWYDT-JOCHJYFZSA-N 440.979 3.501 0 40 IHAB CN(C[C@@H]1COc2ccccc2O1)C(=O)CN1CCC[C@@H](c2nc3ccccc3s2)C1 14071098 DOZBKLMEJWOGOJ-QZTJIDSGSA-N 437.565 3.774 0 40 IHAB CCOc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)NC3CCCC3)CC2=O)cc1 14423697 FSLBOKCRMOCJQB-KRWDZBQOSA-N 435.524 3.749 0 40 IHAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 17973034 BNSUYCNFKBAVTQ-UHFFFAOYSA-N 447.535 3.943 0 40 IHAB CC1CCN(CC(=O)N2CC[C@H](c3cc4nc(C(C)C)cc(C(F)(F)F)n4n3)C2)CC1 19496857 ULRNNDPBHBSIAY-INIZCTEOSA-N 437.510 3.919 0 40 IHAB COc1cccc(-c2nccnc2[C@@H]2CN(C(=O)c3nccc4ccccc34)CCO2)c1 19693148 JAFUMKXVLWSGIS-NRFANRHFSA-N 426.476 3.914 0 40 IHAB CN(CCO)C(=O)c1sc2ncccc2c1[C@H]1CCN(Cc2ccnc3ccccc23)C1 19702133 XTFOOBVWOXOTQI-SFHVURJKSA-N 446.576 3.898 0 40 IHAB COc1ccc([C@H]2C[C@@H](NCc3c(C)nc4ccccn34)CC[C@]23CCC(=O)N3)cc1OC 19740338 FYXNQHIPFJLFSU-UNVFRBQDSA-N 448.567 3.735 0 40 IHAB Cc1nn(C)cc1CN1CCO[C@@H](c2cc(C(=O)Nc3nccs3)c3ccccc3n2)C1 19759717 OEFBEDWAFHBWAY-OAQYLSRUSA-N 448.552 3.559 0 40 IHAB Cc1ccc([C@@H](C)NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c(C)c1 22334729 BAHYMJYCKPJTAE-OAHLLOKOSA-N 428.476 3.966 0 40 IHAB O=C(Nc1cccc(I)c1)[C@@H]1CCCCN1C(=O)c1cccs1 24990549 ZBUBLBWJRMQVKX-AWEZNQCLSA-N 440.306 3.986 0 40 IHAB CNC(=O)Nc1cccc(NC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 29617793 HOLVBNJJYFEVNB-UHFFFAOYSA-N 448.445 3.948 0 40 IHAB Cc1noc(-c2ccc(C(=O)NC[C@H](c3ccccc3Cl)N3CCOCC3)cc2)n1 29807482 XZRVRADAABIAMH-HXUWFJFHSA-N 426.904 3.502 0 40 IHAB CCOc1ccc(-c2nc(Cn3nnc(C(=O)Nc4ccccc4C)c3N)c(C)o2)cc1 33291631 AHWBFSVERKERPX-UHFFFAOYSA-N 432.484 3.831 0 40 IHAB CSc1nc2nc(C)c(CC(=O)Nc3ccc(N(C)C)cc3C(F)(F)F)c(C)n2n1 36761074 PTWLRRHUMSTECK-UHFFFAOYSA-N 438.479 3.729 0 40 IHAB COc1ccc2c(c1)c(C(=O)Cn1nc(-c3ccc(OC)c(OC)c3)ccc1=O)c(C)n2C 40267645 LFMFVUZGUPUGNR-UHFFFAOYSA-N 447.491 3.619 0 40 IHAB C[C@@H](CN1CCCC1=O)NC(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F 48278083 UREYPSGAYCOZBB-LBPRGKRZSA-N 438.406 3.683 0 40 IHAB Cc1oc(-c2cccs2)nc1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 48288439 GEHQPRFWWUZBTL-HUUCEWRRSA-N 426.542 3.579 0 40 IHAB O=C(NC1CCN(C(=O)c2cn(-c3cccc(F)c3)nn2)CC1)c1ccc2ccccc2c1 49406022 ALDRJPKGSFRFBD-UHFFFAOYSA-N 443.482 3.594 0 40 IHAB CCn1c(SCC(=O)Nc2cc(Cl)ccc2C(=O)OC)nc2ccsc2c1=O 57425078 FTONAPMJWXCESR-UHFFFAOYSA-N 437.930 3.649 0 40 IHAB COc1ccc(NC(=O)CC/C(C)=C/Cc2c(OC)c(C)c3c(c2OC)C(=O)OC3)cn1 62001769 BQUODWSMGIKOIH-MKMNVTDBSA-N 440.496 3.994 0 40 IHAB biogenic O=C(NC[C@H]([C@@H]1CCOC1)N1CCCC1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 69922995 VGUXDHGVXTYXJK-OXQOHEQNSA-N 440.510 3.928 0 40 IHAB C[C@@](O)(CNC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1)c1ccc(F)cc1F 72285040 ATBXKIJJMSWDIG-LJQANCHMSA-N 436.256 3.755 0 40 IHAB O=C(N[C@@H]1CCc2ccc(S(=O)(=O)N(Cc3ccccn3)C3CC3)cc21)c1ccccc1 72345847 WRGOLCPKBPFRBD-XMMPIXPASA-N 447.560 3.852 0 40 IHAB COc1cccc(CN(C(=O)COCc2nc(C)no2)C23CC4CC(CC(C4)C2)C3)c1 79020112 ZSMPWCFEJMFQAD-UHFFFAOYSA-N 425.529 3.901 0 40 IHAB CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)c1cnc(-n2cccn2)cn1 83867573 HWZGZJYTFFJJTF-UHFFFAOYSA-N 435.491 3.787 0 40 IHAB CCCOc1ccc(OCC(=O)NC2CCN(C(=O)c3ccc(OCC)cc3)CC2)cc1 95469752 QXHLUUWIOJELRN-UHFFFAOYSA-N 440.540 3.674 0 40 IHAB CC(C)CCN1[C@]2(CCN(C(=O)NCc3ccccc3)C2)c2ccccc2S1(=O)=O 96262001 UQKGLWKPSPLRGL-QHCPKHFHSA-N 427.570 3.548 0 40 IHAB CCCCN1C(=O)[C@H]2[C@@H](C(=O)C(C)(C)C)N3c4c(ccc5cccnc45)C=C[C@@H]3[C@@H]2C1=O 101475829 SZVXYWDZONQOJK-MOXWOTFGSA-N 431.536 3.835 0 40 IHAB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccnc2)Cc2cccc(Cl)c2)cc1 197806426 URDGBMBXMFEPBA-UHFFFAOYSA-N 443.956 3.551 0 40 IHAB CC[C@@H](C(=O)N[C@H]1CC(C)(C)Oc2ccccc21)N(c1ccc(F)cc1)S(C)(=O)=O 219114665 OPZVUHJPMXORFQ-OALUTQOASA-N 434.533 3.789 0 40 IHAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3c4ccccc4C[C@@H]3C)C2)cc1C 222588742 PNJNNDYGXPCQSY-AZUAARDMSA-N 442.581 3.772 0 40 IHAB CCOC(=O)c1ccc(NC(=O)CCCN(c2cccc(C)c2C)S(C)(=O)=O)c(C)c1 222636262 VLLRJVAXGWPFDH-UHFFFAOYSA-N 446.569 3.973 0 40 IHAB CC1(C)C[C@H](NC(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)c2ccccc2O1 223739458 GCYOPUBQIXPLLI-SFHVURJKSA-N 436.961 3.520 0 40 IHAB Cc1ccc(N(C)CCNC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)cc1 224186696 NIEWOCNCHOQSDI-UHFFFAOYSA-N 443.594 3.748 0 40 IHAB CSc1ccc(S(=O)(=O)NCCOc2ccccc2)cc1C(=O)N1CCCCCC1 224326950 MUQMYJAPLKKWGQ-UHFFFAOYSA-N 448.610 3.782 0 40 IHAB COc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)c1 224574188 VXMGHLRATVIFBT-UHFFFAOYSA-N 442.493 3.522 0 40 IHAB COc1cc2c(cc1OC)-n1cccc1[C@@H](c1ccc(NS(C)(=O)=O)cc1)CC2=O 225382451 NHFAPDMJWCXZSF-MRXNPFEDSA-N 426.494 3.584 0 40 IHAB CC[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)c1ccc(OC)c(C)c1 225517284 YYAJIKNMQPHNLR-CTNGQTDRSA-N 430.570 3.672 0 40 IHAB O=C(COc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1)N1CCOCC1 225519729 KDGUOPATFKXFBN-UHFFFAOYSA-N 426.488 3.514 0 40 IHAB O=C(CCc1ccccc1Br)N1CC(n2cc(COc3ccccc3)nn2)C1 225626754 PAFDSWLBPHIUDY-UHFFFAOYSA-N 441.329 3.636 0 40 IHAB CC(C)n1c(=O)sc2cc(S(=O)(=O)NCCSCc3ccccc3F)ccc21 225710118 YHKKISHRITVOFQ-UHFFFAOYSA-N 440.587 3.995 0 40 IHAB O=S(=O)(NC[C@@](O)(c1ccsc1)c1cccs1)c1ccccc1Br 245187648 ZSAQOQIPLNRLEW-MRXNPFEDSA-N 444.397 3.787 0 40 IHAB CCOC[C@]1(C(N)=S)[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 252515834 NXTBSGNZEXXYDM-SCTDSRPQSA-N 427.950 3.728 0 40 IHAB Cc1cc(O)nc(SCC(=O)Nc2ccc(I)cc2C(C)C)n1 408545243 WWKFELFXIGJFLP-UHFFFAOYSA-N 443.310 3.949 0 40 IHAB O=C(COC(=O)c1cccc(N2C(=O)CCC2=O)c1)Nc1ccc(Oc2ccccc2)cc1 408657351 JOXOGIZATFAVMZ-UHFFFAOYSA-N 444.443 3.928 0 40 IHAB CCCOC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccccc2C)cc1 408657673 HKXNMJGOHJSAPL-UHFFFAOYSA-N 440.496 3.853 0 40 IHAB COCCCNC(=O)c1nc(-c2ccc(C)cc2)n(-c2ccc(Br)cc2)n1 408692030 BTCBZLJNILMWBF-UHFFFAOYSA-N 429.318 3.772 0 40 IHAB COc1ccc([C@H]2[C@@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccc(C(C)C)cc2)cc1 409054688 AZTPOAJULHTWQO-YZJHEVQWSA-O 442.539 3.835 0 40 IHAB COc1ccc([C@@H]2[C@H](NC(=O)c3ccc(C)cc3)C(=O)N/[N+]2=C\c2ccc(Cl)cc2)cc1 409057310 JRGROZKRZOXDKF-LMOLPZMTSA-O 448.930 3.673 0 40 IHAB O=C(O)Cc1ccc2c(c1)CN(Cc1ccnc3ccccc13)CC(=O)NCCCCCO2 643574580 BIUJKMPYJGTNHS-UHFFFAOYSA-N 447.535 3.543 0 40 IHAB Cn1ncc(C(=O)NC[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)c1Cc1ccccc1 1135170749 VKYWBFPRGGKRRG-IBGZPJMESA-N 426.561 3.778 0 40 IHAB CC(C)Oc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccccc3Cl)CC2=O)cc1 800522 XUDPALANJILLSD-HNNXBMFYSA-N 430.888 3.662 0 40 IHAB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 1104410 HDSLFEYMDDAGJW-QFIPXVFZSA-N 448.548 3.904 0 40 IHAB CCCCN1C(=O)[C@](O)(CC(=O)c2ccc3c(c2)OCO3)c2cc(Br)ccc21 2493104 UDVMQQJXVVNLTB-NRFANRHFSA-N 446.297 3.785 0 40 IHAB CCN(CC)S(=O)(=O)c1cc(C(=O)N(C)Cc2ccnn2CC)c(Cl)cc1Cl 2793878 WITZDTHZDOQMLU-UHFFFAOYSA-N 447.388 3.513 0 40 IHAB C[C@H](OC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)C(=O)N1CCc2ccccc21 3544867 WBIREPISLPVXQB-INIZCTEOSA-N 440.455 3.622 0 40 IHAB CC(C)(C)NC(=O)[C@H](c1ccccn1)N(Cc1ccc(Cl)cc1)C(=O)c1csnn1 5944291 YTTQWAYXRHBASW-SFHVURJKSA-N 443.960 3.885 0 40 IHAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)N[C@@H](CC(C)C)C(=O)O)CC2 6624512 WSBGVLHRRFXMNO-UGKGYDQZSA-N 426.513 3.860 0 40 IHAB biogenic COc1ccc(C(=O)NCCc2cccs2)cc1S(=O)(=O)N(C)Cc1ccccc1 8752141 CSYLPHFXADEZMM-UHFFFAOYSA-N 444.578 3.550 0 40 IHAB CCC(=O)N1CCN(c2ccccc2NC(=O)c2ccc(OC)c(Br)c2)CC1 8832551 HACQBCMBRIJBIF-UHFFFAOYSA-N 446.345 3.769 0 40 IHAB Cc1nc(N2CCN(C(=O)c3ccco3)CC2)nc2c1C(=O)C[C@H](/C=C/c1ccccc1)C2 9190007 SPTQPPLJPKRMCQ-SQUSKLHYSA-N 442.519 3.799 0 40 IHAB Cc1cc(C)n2nc(C(=O)N(C/C=C/c3ccccc3)c3ccc4c(c3)OCCO4)nc2n1 9223972 XPXIHZQZIVYKHH-RMKNXTFCSA-N 441.491 3.873 0 40 IHAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)Nc2ccc(OC)c(OC)c2)c1 9510173 AXXJRELHWGDLSC-UHFFFAOYSA-N 437.587 3.852 0 40 IHAB Cc1cccc(C(=O)Nc2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)s2)c1 9599872 XOCLLCHESUXPEO-UHFFFAOYSA-N 442.522 3.601 0 40 IHAB Cc1cccc(-n2nc3c(c2NC(=O)c2ccc(N4C(=O)CCC4=O)cc2)CSC3)c1 11667100 ARSAXWMCGLMTHB-UHFFFAOYSA-N 432.505 3.833 0 40 IHAB C[C@@H]1CN(c2ncc3c(n2)CC(C)(C)C[C@H]3NC(=O)Cc2ccc(F)cc2)C[C@@H](C)O1 12240870 XHJDBSXVOIKGCS-JXXFODFXSA-N 426.536 3.602 0 40 IHAB CC(C)NC(=O)CSc1ccccc1C(=O)OCC(=O)N1CCSc2ccccc21 12423661 JJMOBKSDBUOLPL-UHFFFAOYSA-N 444.578 3.599 0 40 IHAB CCN1C[C@H](CN(C)CC(=O)Nc2ccc(C)cc2Br)Oc2ccccc21 12527331 LKMDQYKAOLFENZ-INIZCTEOSA-N 432.362 3.915 0 40 IHAB COc1ccc(-c2noc(CN(C)C(=O)c3cccc(Br)c3)n2)cc1OC 12654464 ZAUWXADNZSUXKE-UHFFFAOYSA-N 432.274 3.789 0 40 IHAB COc1ccc([C@@H]2CCCCCN2C(=O)c2cccc(N3CCCS3(=O)=O)c2)cc1 12822534 HATPOEDPRSEQBW-QFIPXVFZSA-N 428.554 3.993 0 40 IHAB C[C@@H](OC(=O)Cc1ccc(N2CCCC2=O)cc1)C(=O)Nc1ccccc1OC(F)F 12847256 OMJMAHXNYBFHDH-CQSZACIVSA-N 432.423 3.528 0 40 IHAB C[C@H](Cc1c[nH]c2ccccc12)NC(=O)COc1ccc2nc3n(c(=O)c2c1)CCCCC3 12898849 DQUGLYWBNIXBIT-QGZVFWFLSA-N 444.535 3.730 0 40 IHAB biogenic CCCCC[C@H](C)NC(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCC3)=NC2=O)cc1 12902783 WVSHDPASHXJIKF-QFBILLFUSA-N 444.601 3.808 0 40 IHAB CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 13137719 QRMJYYDVKPPZOB-UHFFFAOYSA-N 431.492 3.967 0 40 IHAB C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3C(F)(F)F)c2)C[C@@H](C)O1 13146438 BKCXNDKPVSOVNB-ZIAGYGMSSA-N 442.459 3.756 0 40 IHAB CCc1nc2sc3c(c2c2nnc(SCC(=O)NCc4ccco4)n12)CCCC3 13499885 PJSQKQZBOBSHBQ-UHFFFAOYSA-N 427.555 3.782 0 40 IHAB CCOC(=O)c1ccccc1NC(=O)C1=NN(c2c(F)c(F)cc(F)c2F)C(=O)CC1 14016084 QIJJWKHAGHPVSG-UHFFFAOYSA-N 437.349 3.541 0 40 IHAB CCN(Cc1ccc(Cl)s1)C(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O 14110775 XEPSNISNFDMHTP-JOCHJYFZSA-N 445.972 3.706 0 40 IHAB Cc1cccc(CSCCNC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)c1 14153968 LKYHPQWEQOQLNN-MRXNPFEDSA-N 441.018 3.853 0 40 IHAB C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)C1=O 15843052 QWXGGBIXPWTEPU-JTQLQIEISA-N 446.834 3.924 0 40 IHAB O=C(NCc1ccccc1)[C@H](c1ccccn1)N(C(=O)c1csnn1)c1ccccc1F 15936185 XDKKZSKIZWRPOG-NRFANRHFSA-N 447.495 3.777 0 40 IHAB CC(=O)NCCc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2C(C)C)s1 16810575 XHQGBQHPMNXGEJ-UHFFFAOYSA-N 429.567 3.693 0 40 IHAB Cc1ccc(CNC(=O)Cn2c(C)cc(C)c(-c3nc(-c4ccccc4)no3)c2=O)cc1 16840329 IQCULKCARFIDRX-UHFFFAOYSA-N 428.492 3.807 0 40 IHAB COc1cccc(CC(=O)N(C)C2CCC3(CC2)CN(C(C)=O)Cc2ccccc2O3)c1 19019898 FBGGDDPINXUVLF-UHFFFAOYSA-N 436.552 3.819 0 40 IHAB O=C(c1ccc(F)cc1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CN(CC1CCCCC1)CC2 19331986 ZJCAHXIYASGFQI-QFIPXVFZSA-N 438.547 3.825 0 40 IHAB O[C@H](CN1CCC2(CC1)C[C@H](O)c1cc(Cl)ccc1O2)c1ccc2c(c1)OCCCO2 19345576 LVSJIPRAZOCYOB-VQTJNVASSA-N 445.943 3.885 0 40 IHAB O=S(=O)(c1ccccc1C(F)(F)F)N1CCC(c2nnc3n2CCCCC3)CC1 19347803 ZXRDPWSZJNWSMQ-UHFFFAOYSA-N 428.480 3.592 0 40 IHAB COc1ccc(OC)c(NC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)c1 19679254 WIBKXWKRQIEGKH-UHFFFAOYSA-N 447.329 3.957 0 40 IHAB NC(=O)c1[nH]c([C@@H]2CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)nc1-c1ccccc1 19698943 HAEOFWLYEKMVEV-LJQANCHMSA-N 441.535 3.996 0 40 IHAB CNc1cc(CN(C)C(C)=O)nc([C@@H]2CCCN(C(=O)c3oc4ccc(C)cc4c3C)C2)n1 19709611 GGUACSAUWNUREC-GOSISDBHSA-N 449.555 3.879 0 40 IHAB CCCn1ncc2ccc([C@H]3CCCN(S(=O)(=O)c4cc(C)ccc4OC)C3)nc21 19742476 QFDSJRINGUXAJJ-SFHVURJKSA-N 428.558 3.727 0 40 IHAB COc1ccc(NC(=O)C[C@H]2C(=O)N(Cc3ccccn3)c3nc4ccccc4n32)cc1 19817665 QGSMOEHWBBGMMU-NRFANRHFSA-N 427.464 3.557 0 40 IHAB O=C(c1cccc(-c2cc3ccccc3oc2=O)c1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 20426395 XMYMUEJXVCUOMX-LAUBAEHRSA-N 438.483 3.881 0 40 IHAB Cc1ccc(-n2ncc3c(C(C)C)nnc(SCC(=O)N4CCOCC4)c32)cc1C 23137811 WNIJNLFTRIVVBM-UHFFFAOYSA-N 425.558 3.507 0 40 IHAB CCc1ccccc1-n1cnnc1SCC(=O)NCC(=O)Nc1c(C)cc(C)cc1C 25044493 XHCFUOLZEWZVIY-UHFFFAOYSA-N 437.569 3.602 0 40 IHAB COc1ccc(C)cc1C(=O)CCC(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 25764327 RTQTVFUXYLWNFF-UHFFFAOYSA-N 435.446 3.729 0 40 IHAB COc1ccccc1OCC(=O)NC[C@H](c1ccc(C(C)(C)C)cc1)N1CCOCC1 28290619 BLKGCIIHAWPROQ-OAQYLSRUSA-N 426.557 3.561 0 40 IHAB NC(=O)c1cc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)ccc1Cl 29338907 AEXZGUAZYCFHFA-UHFFFAOYSA-N 447.875 3.631 0 40 IHAB CCOc1ccc([C@H](C)NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)cc1OCC 30858641 JETIHNZWPGZMCI-ZDUSSCGKSA-N 440.949 4.000 0 40 IHAB COCCn1c(-c2ccc3c(c2)OCCO3)cs/c1=N\c1cccc(NC(C)=O)c1 32772250 ZANKXGZJTGRVKU-GYHWCHFESA-N 425.510 3.825 0 40 IHAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(OC(C)C)c(OC)c3)C2=O)o1 34846631 VAVOVAJGHRBVLY-NVNXTCNLSA-N 448.859 3.608 0 40 IHAB CC[C@H](Sc1nnc(-c2cccnc2)n1-c1ccccc1)C(=O)Nc1nnc(C)s1 35655228 RYHHYTRZSQETOJ-INIZCTEOSA-N 437.554 3.999 0 40 IHAB C[C@H](C(=O)N1CCN(Cc2ccccc2)CC1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 36386345 JXXCWRCDPROSNO-QPPBQGQZSA-N 449.595 3.718 0 40 IHAB Cc1nn(-c2ccccc2)c(C)c1CNc1ccc(S(=O)(=O)N2CCCCC2)cn1 38368164 PESJYVXSDGIOSV-UHFFFAOYSA-N 425.558 3.671 0 40 IHAB CCCCn1c(=O)c2ccccc2n(Cc2nc(-c3ccc(Cl)c(F)c3)no2)c1=O 38653076 BKGXTCLFXVRWIC-UHFFFAOYSA-N 428.851 3.854 0 40 IHAB O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2cccc(Br)c2)N1CCCO 40031519 UXSQJDMFDZNEJL-KRWDZBQOSA-N 432.245 3.622 0 40 IHAB COC(=O)c1cc(NCC(=O)N[C@@H](C)c2ccc(Br)cc2)c(F)cc1F 48374643 OGRUTHPLWXJCAA-JTQLQIEISA-N 427.245 3.803 0 40 IHAB COc1cc(NC(=O)CN2CCc3[nH]c4c(C)c(Cl)ccc4c(=O)c3C2)cc(OC)c1 49003185 MVCCETWQCVNRDS-UHFFFAOYSA-N 441.915 3.504 0 40 IHAB Cc1ccc(C)c(-n2c(=O)c3sccc3n(CC(=O)Nc3cc(F)ccc3F)c2=O)c1 57492661 ABXFSHUCEISMAZ-UHFFFAOYSA-N 441.459 3.748 0 40 IHAB O=C(C1CCN(C(=O)C23C[C@H]4C[C@@H](C2)CC(c2ccccc2)(C4)C3)CC1)N1CCOCC1 58289993 GYFZIOVBNKWTSJ-FTRDYKAISA-N 436.596 3.622 0 40 IHAB CSCC[C@@H](NC(=O)Cc1c(C)nn(-c2ccccc2)c1C)c1nnc2ccccn12 69419485 BSSRSVKINJDXLO-HXUWFJFHSA-N 434.569 3.685 0 40 IHAB CN(C)c1ncc(CN2CC[C@H](c3cc(CCOc4cccc(Cl)c4)[nH]n3)C2)cn1 72371491 QOTQLVRQOLBHEB-KRWDZBQOSA-N 426.952 3.530 0 40 IHAB Cc1ncsc1C(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(Cc1ccccn1)CCC2 72372883 DAMVMJHOAUOALL-LJQANCHMSA-N 434.569 3.875 0 40 IHAB COc1ccc(S(=O)(=O)N2CCC[C@H]2c2cccc(Nc3nc(C)cc(C)n3)n2)cc1 72375207 CZWFPXMPDHIWRH-FQEVSTJZSA-N 439.541 3.766 0 40 IHAB CCCCOc1ccc(NC(=O)N2CC(c3nc(-c4cccc(C(=O)NC)c4)no3)C2)cc1 77191219 CBKYKQPIBKNIDS-UHFFFAOYSA-N 449.511 3.906 0 40 IHAB CCn1ncc(S(=O)(=O)N2[C@@H]3CC[C@H](C3)[C@@H]2COc2cccc(C(F)(F)F)c2)c1C 100112832 JKCFMHKYXRRNTE-KYJSFNMBSA-N 443.491 3.851 0 40 IHAB C[C@@H]1[C@@H](NC(=O)COC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)CCC[C@H]1C 102180764 WBDQSMOUSQSXQC-FUKQBSRTSA-N 436.552 3.512 0 40 IHAB CC[C@H](NC(=O)[C@@H](CC)N(c1ccccc1)S(C)(=O)=O)c1ccc(OC)c(OC)c1 219088407 ZWLKQVJYGUDOGW-RBUKOAKNSA-N 434.558 3.516 0 40 IHAB CN1CCN(c2ccc(NC(=O)CCCN3C(=O)c4cccc5cccc3c45)cc2)CC1 219475560 YSBVGRUONHGJHD-UHFFFAOYSA-N 428.536 3.971 0 40 IHAB CC(C)Oc1cccc(N(CC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)c1 220111723 HCCUYXGEVLDYGT-FQEVSTJZSA-N 446.569 3.658 0 40 IHAB O=C(NCC(=O)N1CCC[C@H](Cc2nc(-c3ccsc3)no2)C1)OCc1ccccc1 220920180 ZGIVVTPGOSNOAS-QGZVFWFLSA-N 440.525 3.506 0 40 IHAB CCOC(=O)c1cc(NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)ccc1Cl 222561071 SZKRKNTZZKEJTP-UHFFFAOYSA-N 436.917 3.699 0 40 IHAB Cc1ccc(C(=O)NCCOc2ccccc2C(C)(C)C)cc1S(=O)(=O)N1CCCC1 223693683 VVLVJTFMKJOIHW-UHFFFAOYSA-N 444.597 3.886 0 40 IHAB COC(=O)c1cccc(S(=O)(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)c1 223856473 WASFGAJVEWYSBB-UHFFFAOYSA-N 429.469 3.670 0 40 IHAB CCCc1ccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1 224022038 RHRDWLPXUTVIAW-UHFFFAOYSA-N 444.597 3.931 0 40 IHAB O=C(Nc1nnc(S(=O)(=O)Nc2cccc(Cl)c2)s1)c1ccc(Cl)cc1 224334454 CCGSHIFYOGAJEW-UHFFFAOYSA-N 429.310 3.898 0 40 IHAB CC[C@H](NC(=S)Nc1cc(C(=O)OC)ccc1Cl)c1ccc(S(C)(=O)=O)cc1 225724572 FGJAJBVZLWBAEF-INIZCTEOSA-N 440.974 3.968 0 40 IHAB O=C(CCc1nc(-c2ccc(I)cc2)no1)NCc1ccccc1 225837527 JQFAJPSYEINKQJ-UHFFFAOYSA-N 433.249 3.590 0 40 IHAB Cc1ccc(CNC(=S)Nc2nc(N3CCCC3)cc(N3Cc4ccccc4C3)n2)o1 225914596 OAQVKMKTSKPDRD-UHFFFAOYSA-N 434.569 3.985 0 40 IHAB CN1N=C(c2ccccc2)[C@H]([C@@H](c2cccs2)[C@H]2C(=O)N(C)N=C2c2ccccc2)C1=O 248059747 UDLKONKPYGNEJY-WKCHPHFGSA-N 442.544 3.817 0 40 IHAB Cc1ccn2c(CN3CCO[C@H](c4cccc(-c5ccc(C(N)=O)cc5)n4)C3)c(C)nc2c1 257244940 INKIBFCMRVKBKM-DEOSSOPVSA-N 441.535 3.686 0 40 IHAB Cn1cc(-c2ccncc2)c(-c2cccc(CNC(=O)c3cc(C(F)(F)F)[nH]n3)c2)n1 257255878 KJGFFOZYRLTLBI-UHFFFAOYSA-N 426.402 3.821 0 40 IHAB COc1ccc2c(c1)[C@H]1OCC3(CCN(C(=O)c4ccc(O)nc4)CC3)C[C@@H]1C(C)(C)O2 257313948 UUTWMVKNQOIESL-SIKLNZKXSA-N 438.524 3.967 0 40 IHAB CS(=O)(=O)c1cn[nH]c1C[C@@H]1CCCN(Cc2ccccc2OCc2ccccc2)C1 257327465 XBLMBSSRKFJZJK-FQEVSTJZSA-N 439.581 3.847 0 40 IHAB CC[C@@H](NC(=O)[C@H](C)N(c1cc(C)ccc1OC)S(C)(=O)=O)c1ccc(OC)c(C)c1 260836985 CGGLATKBJAKGBZ-PKOBYXMFSA-N 448.585 3.743 0 40 IHAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)cc1 408562072 XPBHKHCDVANUDM-INIZCTEOSA-N 426.494 3.793 0 40 IHAB Cc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1C(=O)N1CCOCC1 408600738 CDESHEXRKKXHRW-UHFFFAOYSA-N 429.325 3.575 0 40 IHAB CCOc1cc(Cl)c(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1OC 409104944 LLQYFNSMNMWEQU-RQZCQDPDSA-N 443.887 3.587 0 40 IHAB CC(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2ccccc2Br)cc1 409198379 FFHANXGQUPREEY-UHFFFAOYSA-N 425.348 3.707 0 40 IHAB O=C(NCC1(c2ccccc2Cl)CCOCC1)[C@@H]1CCCCN1Cc1cccnc1 1116041575 KAQTTYUPIZKJEY-QFIPXVFZSA-N 427.976 3.954 0 40 IHAB CO[C@@H]1CCN2C[C@@H]1CCCCN(Cc1nccs1)CCOc1cccc(c1)C2=O 2037978170 FHJLQLGMAACGIJ-PZJWPPBQSA-N 429.586 3.685 0 40 IHAB